G4M097_SCHMA Loading...

ferroxidase

AlphaFold DB , UniProt , Accession G4M097, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 161 aa.

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(Predicted Aligned Error values between residue pairs)

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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	43.8	Very low	42.7	Very low	245 Å²	245	160 Å²	160	100%	1.207	75%	0.749	S	S	*	*				0	138.3	0	-69.8	171.4	171	0	0	107.7
2	R	39	Very low	42.6	Very low	197 Å²	197	166.6 Å²	166.6	74%	0.743	76%	0.762	S	S	*	*			cis	-179.8	133	-32.7	-131.3	173.1	-177.2	-154.4	14.1	103.5
3	Y	38.7	Very low	42.7	Very low	174 Å²	174	161.8 Å²	161.8	68%	0.682	76%	0.755	S	S	*	*			trans	81.6	119.7	162.9	-47.3	-65	0	0	0	118.8
4	S	41.6	Very low	42.5	Very low	97 Å²	97	166.1 Å²	166.1	68%	0.678	76%	0.761	S	S	*	*				73	135.6	58.2	-149.3	0	0	0	0	110.2
5	T	46.4	Very low	42.3	Very low	106 Å²	106	164.4 Å²	164.4	65%	0.65	77%	0.768	S	S	*	*			cis	-174.3	146.3	20.8	-17.9	0	0	0	0	108.4
6	I	48.6	Very low	41.8	Very low	131 Å²	131	160.6 Å²	160.6	67%	0.672	76%	0.764	S	S	*	*				100	135.1	112.9	-101.5	166.2	0	0	0	118.8
7	F	41.7	Very low	41.5	Very low	157 Å²	157	158.2 Å²	158.2	69%	0.689	76%	0.761	S	S	*	*			trans	77.1	144.9	147.9	-84	-142.8	0	0	0	119.3
8	Q	43.4	Very low	41.1	Very low	131 Å²	131	159.3 Å²	159.3	61%	0.612	77%	0.765	S	S	*	*			cis	-168.4	156.1	-6.2	-127.1	179.3	-5.3	0	0	107.8
9	H	38.7	Very low	40.9	Very low	156 Å²	156	155.3 Å²	155.3	72%	0.722	76%	0.755	S	S	*	*			trans	57.9	119.8	147.6	-86.8	-32.4	0	0	0	120.9
10	L	42.9	Very low	40.8	Very low	137 Å²	137	158.8 Å²	158.8	72%	0.717	77%	0.767	S	S	*	*				175.8	125.9	100.9	-87.2	163.6	0	0	0	111.7
11	R	45.2	Very low	40.5	Very low	229 Å²	229	158.3 Å²	158.3	86%	0.864	76%	0.761	S	S	*	*			trans	67.8	115.1	143.2	-58.3	-177	-172.1	-177.1	6.5	121.5
12	R	41.4	Very low	40.2	Very low	239 Å²	239	154.8 Å²	154.8	90%	0.902	75%	0.746	S	S	*	*			trans	-63.8	-175.9	156.9	-72	-174.4	178.1	-170.3	-0	112.1
13	P	43.3	Very low	40.3	Very low	104 Å²	104	152.7 Å²	152.7	68%	0.675	74%	0.743	S	S	*	*			cis	-140.9	-174.7	-46.4	39	-21	0	0	0	114.4
14	R	39.9	Very low	40.4	Very low	223 Å²	223	149.9 Å²	149.9	84%	0.842	75%	0.749	S	S	*	*			trans	87.8	137.6	152	-70.9	-173.1	-177.1	-165.8	0.8	121.3
15	T	40	Very low	40.3	Very low	140 Å²	140	152.2 Å²	152.2	86%	0.859	75%	0.753	S	S	*	*			trans	69.4	147.9	157.3	52	0	0	0	0	117
16	C	34	Very low	40.2	Very low	104 Å²	104	151.1 Å²	151.1	70%	0.703	74%	0.743	S	S	*	*			cis	-168.9	157.7	-5.7	-172.6	0	0	0	0	105.5
17	V	37.8	Very low	39.8	Very low	120 Å²	120	151.9 Å²	151.9	73%	0.727	75%	0.748	S	S	*	*			trans	37.5	120.2	159.3	-73.6	0	0	0	0	120.9
18	H	33.5	Very low	40.2	Very low	177 Å²	177	149.4 Å²	149.4	82%	0.819	75%	0.745	S	S	*	*			trans	-162.8	108	136.7	-112.2	61.9	0	0	0	109.2
19	S	36.6	Very low	40.1	Very low	84 Å²	84	150.7 Å²	150.7	59%	0.587	75%	0.746	S	S	*	*				81.8	87	101.9	80.1	0	0	0	0	112.4	F21	S19-F21 PolarHBondContact O-N 3.25Å; S19-F21 VanDerWaalsContact O-N 3.14Å
20	F	40	Very low	40.7	Very low	225 Å²	225	148.6 Å²	148.6	99%	0.987	74%	0.739	S	S	*	*			trans	-73.2	104.8	156	-93.9	-83.9	0	0	0	108.1	L22	F20-L22 PolarHBondContact O-N 3.24Å
21	F	34.3	Very low	41	Very low	148 Å²	148	145.9 Å²	145.9	65%	0.649	73%	0.728	S	S	*	*			trans	-78	93	179.5	-163.6	-91.6	0	0	0	108.5	S19 K23	S19-F21 PolarHBondContact O-N 3.25Å; S19-F21 VanDerWaalsContact O-N 3.14Å; F21-K23 HydrophobicContact CE1-CD 4.21Å; F21-K23 HydrophobicContact CE1-CG 4.18Å; F21-K23 HydrophobicContact CZ-CD 4.05Å; F21-K23 VanDerWaalsContact CZ-CE 3.45Å; F21-K23 HydrophobicContact CZ-CG 4.27Å
22	L	36.9	Very low	41.1	Very low	171 Å²	171	140.4 Å²	140.4	90%	0.895	71%	0.712	S	S	*	*			trans	-128.2	94.9	153.2	-78.5	175.2	0	0	0	107	F20 S24	F20-L22 PolarHBondContact O-N 3.24Å; L22-S24 PolarHBondContact O-N 2.81Å
23	K	40.9	Very low	41.7	Very low	153 Å²	153	131.6 Å²	131.6	67%	0.665	68%	0.684	S	S	*	*			trans	-58.4	124.1	176	-72.9	-170.5	167.8	-170	0	108.9	F21 L25	F21-K23 HydrophobicContact CE1-CD 4.21Å; F21-K23 HydrophobicContact CE1-CG 4.18Å; F21-K23 HydrophobicContact CZ-CD 4.05Å; F21-K23 VanDerWaalsContact CZ-CE 3.45Å; F21-K23 HydrophobicContact CZ-CG 4.27Å; K23-L25 PolarHBondContact O-N 2.69Å
24	S	41	Very low	42.3	Very low	116 Å²	116	129 Å²	129	81%	0.811	67%	0.672	S	S	*	*			trans	-25	95.5	150.4	179.7	0	0	0	0	111.8	L22	L22-S24 PolarHBondContact O-N 2.81Å
25	L	40.2	Very low	42.8	Very low	145 Å²	145	125.4 Å²	125.4	76%	0.759	66%	0.662	S	S	*	*			trans	-124.9	87.7	162.1	-77.6	171	0	0	0	106	K23	K23-L25 PolarHBondContact O-N 2.69Å
26	D	43.9	Very low	43.4	Very low	83 Å²	83	122.5 Å²	122.5	44%	0.444	64%	0.641	S	S	.	*			trans	57.7	75.7	147.4	-54.2	-35.2	0	0	0	119	V28 Y29 I30	D26-V28 PolarHBondContact O-N 3.38Å; D26-Y29 WeakPolarHBondContact O-CB 3.1Å; D26-Y29 PolarHBondContact O-N 3.12Å; D26-I30 PolarHBondContact O-N 2.88Å; D26-I30 VanDerWaalsContact O-N 3.08Å
27	L	41.1	Very low	44.2	Very low	148 Å²	148	127 Å²	127	78%	0.775	64%	0.643	S	S	*	*	H	α-helix	trans	-50.3	-30.3	150.4	-153.1	81.1	0	0	0	111.2	T31	L27-T31 WeakPolarHBondContact O-CB 3.49Å; L27-T31 VanDerWaalsContact O-CG2 3.27Å; L27-T31 WeakPolarHBondContact O-CG2 3.43Å; L27-T31 PolarHBondContact O-N 3.49Å; L27-T31 VanDerWaalsContact O-N 3.1Å; L27-T31 PolarHBondContact O-OG1 2.93Å
28	V	48.4	Very low	44.8	Very low	105 Å²	105	126.2 Å²	126.2	64%	0.636	63%	0.634	S	S	*	*	H	α-helix	trans	-67.6	-37.9	173.5	-177.4	0	0	0	0	111.9	D26 T31 H32	D26-V28 PolarHBondContact O-N 3.38Å; V28-T31 WeakPolarHBondContact CA-OG1 3.41Å; V28-T31 PolarHBondContact O-OG1 2.97Å; V28-H32 VanDerWaalsContact O-CB 3.25Å; V28-H32 WeakPolarHBondContact O-CB 3.36Å; V28-H32 PolarHBondContact O-N 3.39Å
29	Y	41.6	Very low	45.6	Very low	157 Å²	157	122.8 Å²	122.8	62%	0.616	63%	0.626	S	S	*	*	H	α-helix	trans	-73.2	-40.9	178.9	-174.8	-100.1	0	0	0	111.1	D26 T31 H32 V33	D26-Y29 WeakPolarHBondContact O-CB 3.1Å; D26-Y29 PolarHBondContact O-N 3.12Å; Y29-T31 VanDerWaalsContact C-N 3.33Å; Y29-T31 PolarHBondContact O-N 3.04Å; Y29-H32 PolarHBondContact O-N 3.04Å; Y29-V33 HydrophobicContact CD1-CG2 3.93Å; Y29-V33 HydrophobicContact CD2-CG2 4.43Å; Y29-V33 HydrophobicContact CE1-CG2 3.63Å; Y29-V33 HydrophobicContact CE2-CG2 4.17Å; Y29-V33 HydrophobicContact CG-CG2 4.32Å; Y29-V33 WeakPolarHBondContact O-CB 3.44Å; Y29-V33 VanDerWaalsContact O-CG2 3.23Å; Y29-V33 WeakPolarHBondContact O-CG2 3.34Å; Y29-V33 PolarHBondContact O-N 2.77Å
30	I	52.3	Low	46.1	Very low	113 Å²	113	124.7 Å²	124.7	58%	0.579	63%	0.629	S	S	*	*	H	α-helix	trans	-62.1	-42.5	175.8	-63.9	172.9	0	0	0	110.7	D26 A34	D26-I30 PolarHBondContact O-N 2.88Å; D26-I30 VanDerWaalsContact O-N 3.08Å; I30-A34 VanDerWaalsContact O-CB 3.29Å; I30-A34 WeakPolarHBondContact O-CB 3.38Å; I30-A34 PolarHBondContact O-N 3.02Å
31	T	49.2	Very low	46.4	Very low	79 Å²	79	118.1 Å²	118.1	49%	0.485	60%	0.604	S	S	.	*	H	α-helix	trans	-69.5	-35	176.1	51.9	0	0	0	0	112.6	L27 V28 Y29 K35	L27-T31 WeakPolarHBondContact O-CB 3.49Å; L27-T31 VanDerWaalsContact O-CG2 3.27Å; L27-T31 WeakPolarHBondContact O-CG2 3.43Å; L27-T31 PolarHBondContact O-N 3.49Å; L27-T31 VanDerWaalsContact O-N 3.1Å; L27-T31 PolarHBondContact O-OG1 2.93Å; V28-T31 WeakPolarHBondContact CA-OG1 3.41Å; V28-T31 PolarHBondContact O-OG1 2.97Å; Y29-T31 VanDerWaalsContact C-N 3.33Å; Y29-T31 PolarHBondContact O-N 3.04Å; T31-K35 WeakPolarHBondContact O-CB 3.44Å; T31-K35 PolarHBondContact O-N 2.86Å
32	H	46.8	Very low	46.8	Very low	115 Å²	115	115.9 Å²	115.9	53%	0.532	61%	0.607	S	S	.	*	H	α-helix	trans	-69.6	-42.2	176	-154.4	-108	0	0	0	111.9	V28 Y29 K35 I36	V28-H32 VanDerWaalsContact O-CB 3.25Å; V28-H32 WeakPolarHBondContact O-CB 3.36Å; V28-H32 PolarHBondContact O-N 3.39Å; Y29-H32 PolarHBondContact O-N 3.04Å; H32-K35 PolarHBondContact O-N 2.85Å; H32-I36 WeakPolarHBondContact ND1-CD1 3.23Å; H32-I36 WeakPolarHBondContact O-CB 3.18Å; H32-I36 WeakPolarHBondContact O-CD1 3.17Å; H32-I36 WeakPolarHBondContact O-CG1 3.18Å; H32-I36 PolarHBondContact O-N 2.76Å
33	V	54.3	Low	47.2	Very low	54 Å²	54	112.3 Å²	112.3	33%	0.327	60%	0.595	S	S	.	*	H	α-helix	trans	-67.8	-37.1	176	175.1	0	0	0	0	111.4	Y29 I36 R37	Y29-V33 HydrophobicContact CD1-CG2 3.93Å; Y29-V33 HydrophobicContact CD2-CG2 4.43Å; Y29-V33 HydrophobicContact CE1-CG2 3.63Å; Y29-V33 HydrophobicContact CE2-CG2 4.17Å; Y29-V33 HydrophobicContact CG-CG2 4.32Å; Y29-V33 WeakPolarHBondContact O-CB 3.44Å; Y29-V33 VanDerWaalsContact O-CG2 3.23Å; Y29-V33 WeakPolarHBondContact O-CG2 3.34Å; Y29-V33 PolarHBondContact O-N 2.77Å; V33-I36 PolarHBondContact O-N 3.01Å; V33-R37 PolarHBondContact O-N 2.84Å
34	A	55.1	Low	47.7	Very low	49 Å²	49	110 Å²	110	41%	0.405	60%	0.595	S	S	.	*	H	α-helix	trans	-64.8	-43.7	172.5	0	0	0	0	0	112	I30 R37 L38	I30-A34 VanDerWaalsContact O-CB 3.29Å; I30-A34 WeakPolarHBondContact O-CB 3.38Å; I30-A34 PolarHBondContact O-N 3.02Å; A34-R37 PolarHBondContact O-N 3.41Å; A34-L38 WeakPolarHBondContact O-CG 3.41Å; A34-L38 PolarHBondContact O-N 3.05Å
35	K	51.2	Low	48.6	Very low	148 Å²	148	107.9 Å²	107.9	64%	0.643	58%	0.575	S	S	*	*	H	α-helix	trans	-60.7	-43.5	172.4	-89	-179.2	173.2	177	0	112.3	T31 H32 R37 L38 T39	T31-K35 WeakPolarHBondContact O-CB 3.44Å; T31-K35 PolarHBondContact O-N 2.86Å; H32-K35 PolarHBondContact O-N 2.85Å; K35-R37 VanDerWaalsContact C-N 3.33Å; K35-R37 PolarHBondContact O-N 2.81Å; K35-L38 PolarHBondContact O-N 2.66Å; K35-T39 WeakPolarHBondContact O-CG2 3.31Å; K35-T39 PolarHBondContact O-N 2.71Å; K35-T39 PolarHBondContact O-OG1 3.21Å
36	I	52.7	Low	50.1	Low	79 Å²	79	105.4 Å²	105.4	41%	0.405	57%	0.57	S	S	.	*	H	α-helix	trans	-66.1	-33.4	178.7	-70.4	164.3	0	0	0	112.1	H32 V33 T39 N40	H32-I36 WeakPolarHBondContact ND1-CD1 3.23Å; H32-I36 WeakPolarHBondContact O-CB 3.18Å; H32-I36 WeakPolarHBondContact O-CD1 3.17Å; H32-I36 WeakPolarHBondContact O-CG1 3.18Å; H32-I36 PolarHBondContact O-N 2.76Å; V33-I36 PolarHBondContact O-N 3.01Å; I36-T39 WeakPolarHBondContact CA-OG1 3.48Å; I36-T39 PolarHBondContact O-OG1 3.27Å; I36-N40 PolarHBondContact O-ND2 3.06Å
37	R	50.2	Low	52.3	Low	198 Å²	198	102.1 Å²	102.1	75%	0.747	55%	0.552	S	S	*	*	H	α-helix	trans	-72.3	-36.5	173.4	-85.8	-171	173.2	-170.9	-0.9	112.5	V33 A34 K35 N40	V33-R37 PolarHBondContact O-N 2.84Å; A34-R37 PolarHBondContact O-N 3.41Å; K35-R37 VanDerWaalsContact C-N 3.33Å; K35-R37 PolarHBondContact O-N 2.81Å; R37-N40 PolarHBondContact O-N 2.87Å
38	L	51.4	Low	54.8	Low	103 Å²	103	97.5 Å²	97.5	54%	0.539	53%	0.533	S	S	.	.	H	α-helix	trans	-67.3	-35.9	175.3	-74	161.8	0	0	0	112	A34 K35 N40 L41	A34-L38 WeakPolarHBondContact O-CG 3.41Å; A34-L38 PolarHBondContact O-N 3.05Å; K35-L38 PolarHBondContact O-N 2.66Å; L38-N40 PolarHBondContact O-N 3.29Å; L38-L41 HydrophobicContact CD2-CD1 4.02Å; L38-L41 PolarHBondContact O-N 3.03Å
39	T	49.8	Very low	57.1	Low	106 Å²	106	98 Å²	98	65%	0.65	53%	0.531	S	S	*	.	H	α-helix	trans	-70.5	-15.9	176.7	51.8	0	0	0	0	114.1	K35 I36	K35-T39 WeakPolarHBondContact O-CG2 3.31Å; K35-T39 PolarHBondContact O-N 2.71Å; K35-T39 PolarHBondContact O-OG1 3.21Å; I36-T39 WeakPolarHBondContact CA-OG1 3.48Å; I36-T39 PolarHBondContact O-OG1 3.27Å
40	N	47.3	Very low	59.7	Low	123 Å²	123	94 Å²	94	66%	0.658	53%	0.531	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101	8.6	176.2	-77	-59	0	0	0	113.7	I36 R37 L38 S42	I36-N40 PolarHBondContact O-ND2 3.06Å; R37-N40 PolarHBondContact O-N 2.87Å; L38-N40 PolarHBondContact O-N 3.29Å; N40-S42 PolarHBondContact O-N 3.13Å
41	L	46.3	Very low	61.8	Low	87 Å²	87	92.6 Å²	92.6	46%	0.455	52%	0.522	S	S	.	.			trans	-78.5	42.7	165.4	-69.1	168.6	0	0	0	111.3	L38 C43	L38-L41 HydrophobicContact CD2-CD1 4.02Å; L38-L41 PolarHBondContact O-N 3.03Å; L41-C43 PolarHBondContact O-N 2.92Å
42	S	42.4	Very low	64.1	Low	102 Å²	102	89 Å²	89	71%	0.713	50%	0.5	S	S	*	.			trans	-80.2	59.2	165.1	74.1	0	0	0	0	109.3	N40	N40-S42 PolarHBondContact O-N 3.13Å
43	C	44.8	Very low	66.5	Low	96 Å²	96	87.6 Å²	87.6	65%	0.649	49%	0.493	S	S	*	.			trans	-77.2	126.2	156	-165.8	0	0	0	0	105.2	L41 N45	L41-C43 PolarHBondContact O-N 2.92Å; C43-N45 PolarHBondContact O-N 3.35Å
44	P	52.6	Low	68.6	Low	103 Å²	103	92.8 Å²	92.8	67%	0.669	51%	0.507	S	S	*	.			trans	-54.3	117.9	171.3	20.7	-28.3	0	0	0	107.3	S46	P44-S46 PolarHBondContact O-N 3.25Å
45	N	58.4	Low	70.6	Confident	72 Å²	72	91 Å²	91	39%	0.385	49%	0.491	S	S	.	.			trans	-63.9	68	172.5	-82.4	-7.7	0	0	0	109.1	C43 D124	C43-N45 PolarHBondContact O-N 3.35Å; N45-D124 PolarHBondContact ND2-OD1 3.01Å
46	S	73	Confident	72.8	Confident	94 Å²	94	83.9 Å²	83.9	66%	0.657	46%	0.46	S	S	*	.			trans	-104.6	60.1	175.2	75	0	0	0	0	109	P44 S48	P44-S46 PolarHBondContact O-N 3.25Å; S46-S48 PolarHBondContact O-N 3.28Å
47	L	89.7	Confident	75	Confident	14 Å²	14	81.9 Å²	81.9	7%	0.073	45%	0.452	C	S	.	.			trans	-53.6	128.8	154.8	-78.4	179.8	0	0	0	107.2	E51 Y52 K109 Y125 P127	L47-E51 HydrophobicContact CD2-CB 3.91Å; L47-Y52 HydrophobicContact CD1-CD2 4.47Å; L47-K109 HydrophobicContact CB-CD 4.13Å; L47-K109 WeakPolarHBondContact O-CD 3.32Å; L47-K109 WeakPolarHBondContact O-CE 3.47Å; L47-K109 PolarHBondContact O-NZ 2.86Å; L47-Y125 HydrophobicContact CD1-CD1 3.86Å; L47-Y125 HydrophobicContact CD1-CG 4.2Å; L47-Y125 HydrophobicContact CD2-CD1 3.96Å; L47-Y125 HydrophobicContact CD2-CE1 4.41Å; L47-Y125 HydrophobicContact CG-CD1 4.32Å; L47-P127 HydrophobicContact CD2-CG 3.98Å
48	S	94.6	Very high	77.3	Confident	51 Å²	51	77.1 Å²	77.1	36%	0.357	44%	0.436	S	S	.	.			trans	-63.3	160.3	164.6	63.7	0	0	0	0	109.9	S46 A50 E51 Y52	S46-S48 PolarHBondContact O-N 3.28Å; S48-A50 PolarHBondContact O-N 2.88Å; S48-E51 VanDerWaalsContact CB-OE2 3.31Å; S48-E51 WeakPolarHBondContact CB-OE2 3.34Å; S48-E51 PolarHBondContact N-OE2 2.99Å; S48-E51 PolarHBondContact O-N 2.63Å; S48-E51 VanDerWaalsContact O-N 3.17Å; S48-E51 WeakPolarHBondContact OG-CB 3.22Å; S48-E51 VanDerWaalsContact OG-CD 3.29Å; S48-E51 WeakPolarHBondContact OG-CG 3.37Å; S48-E51 PolarHBondContact OG-N 3.1Å; S48-E51 PolarHBondContact OG-OE2 3.27Å; S48-Y52 PolarHBondContact O-N 2.96Å
49	D	95.7	Very high	79.5	Confident	114 Å²	114	72.4 Å²	72.4	61%	0.61	41%	0.412	S	S	*	.	H	α-helix	trans	-60.8	-37.7	179	-62	-15.3	0	0	0	111.1	Y52 E53 K109	D49-Y52 PolarHBondContact O-N 3.05Å; D49-E53 WeakPolarHBondContact O-CB 3.46Å; D49-E53 PolarHBondContact O-N 2.79Å; D49-K109 WeakPolarHBondContact OD1-CE 3.46Å; D49-K109 IonicContact OD1-NZ 2.75Å; D49-K109 PolarHBondContact OD1-NZ 3.06Å
50	A	96.6	Very high	81.8	Confident	74 Å²	74	67.4 Å²	67.4	61%	0.612	38%	0.381	S	S	*	.	H	α-helix	trans	-65.5	-40.1	175.5	0	0	0	0	0	112.7	S48 R54	S48-A50 PolarHBondContact O-N 2.88Å; A50-R54 WeakPolarHBondContact O-CB 3.33Å; A50-R54 PolarHBondContact O-N 2.93Å
51	E	96.2	Very high	84.2	Confident	83 Å²	83	65.4 Å²	65.4	39%	0.388	37%	0.368	S	S	.	.	H	α-helix	trans	-68.9	-42.6	176	-72.7	166.8	122.1	0	0	112	L47 S48 R54 V55	L47-E51 HydrophobicContact CD2-CB 3.91Å; S48-E51 VanDerWaalsContact CB-OE2 3.31Å; S48-E51 WeakPolarHBondContact CB-OE2 3.34Å; S48-E51 PolarHBondContact N-OE2 2.99Å; S48-E51 PolarHBondContact O-N 2.63Å; S48-E51 VanDerWaalsContact O-N 3.17Å; S48-E51 WeakPolarHBondContact OG-CB 3.22Å; S48-E51 VanDerWaalsContact OG-CD 3.29Å; S48-E51 WeakPolarHBondContact OG-CG 3.37Å; S48-E51 PolarHBondContact OG-N 3.1Å; S48-E51 PolarHBondContact OG-OE2 3.27Å; E51-R54 PolarHBondContact O-N 3.38Å; E51-V55 WeakPolarHBondContact O-CB 3.17Å; E51-V55 VanDerWaalsContact O-CG2 3.27Å; E51-V55 WeakPolarHBondContact O-CG2 3.38Å; E51-V55 PolarHBondContact O-N 2.79Å
52	Y	97.3	Very high	86.7	Confident	4 Å²	4	63.6 Å²	63.6	2%	0.016	36%	0.358	C	S	.	.	H	α-helix	trans	-58.4	-50	174.7	168.6	-101.1	0	0	0	111.1	L47 S48 D49 R54 V55 S56 R104 Q105 A106 K109 Q110 W132	L47-Y52 HydrophobicContact CD1-CD2 4.47Å; S48-Y52 PolarHBondContact O-N 2.96Å; D49-Y52 PolarHBondContact O-N 3.05Å; Y52-R54 PolarHBondContact O-N 3.17Å; Y52-V55 PolarHBondContact O-N 2.86Å; Y52-S56 WeakPolarHBondContact O-CB 3.09Å; Y52-S56 PolarHBondContact O-N 2.85Å; Y52-S56 PolarHBondContact O-OG 3.1Å; Y52-R104 WeakPolarHBondContact OH-CA 3.47Å; Y52-R104 WeakPolarHBondContact OH-CB 3.39Å; Y52-Q105 PolarHBondContact OH-N 3.3Å; Y52-A106 HydrophobicContact CD1-CB 4.48Å; Y52-A106 VanDerWaalsContact CE1-CA 3.47Å; Y52-A106 HydrophobicContact CE1-CB 3.8Å; Y52-A106 PolarHBondContact OH-N 3.07Å; Y52-K109 VanDerWaalsContact CD2-C 3.5Å; Y52-K109 VanDerWaalsContact CD2-CA 3.41Å; Y52-K109 HydrophobicContact CD2-CB 3.64Å; Y52-K109 HydrophobicContact CD2-CG 4.36Å; Y52-K109 VanDerWaalsContact CE2-CA 3.42Å; Y52-K109 HydrophobicContact CE2-CB 4.19Å; Y52-K109 HydrophobicContact CG-CB 3.91Å; Y52-K109 HydrophobicContact CG-CG 4.13Å; Y52-Q110 PolarHBondContact OH-O 3.22Å; Y52-W132 HydrophobicContact CD2-CH2 4.02Å; Y52-W132 AromaticContact CE2-CH2 3.84Å; Y52-W132 HydrophobicContact CE2-CH2 3.84Å; Y52-W132 HydrophobicContact CE2-CZ3 4.41Å
53	E	97.7	Very high	89.3	Confident	86 Å²	86	58.8 Å²	58.8	40%	0.402	33%	0.325	S	S	.	.	H	α-helix	trans	-56.7	-51.9	179.2	-176.5	62.7	-160.5	0	0	110.4	D49 V55 S56 T57 R104	D49-E53 WeakPolarHBondContact O-CB 3.46Å; D49-E53 PolarHBondContact O-N 2.79Å; E53-V55 PolarHBondContact O-N 2.78Å; E53-S56 PolarHBondContact O-OG 3.23Å; E53-T57 WeakPolarHBondContact O-CB 3.39Å; E53-T57 PolarHBondContact O-N 3.04Å; E53-T57 PolarHBondContact O-OG1 2.86Å; E53-R104 IonicContact OE1-CZ 3.07Å; E53-R104 IonicContact OE1-NH1 3.69Å; E53-R104 PolarHBondContact OE1-NH1 2.63Å; E53-R104 IonicContact OE1-NH2 3.27Å; E53-R104 IonicContact OE2-CZ 2.62Å; E53-R104 IonicContact OE2-NH1 2.66Å; E53-R104 PolarHBondContact OE2-NH1 2.86Å
54	R	97.4	Very high	91.9	Very high	163 Å²	163	54.3 Å²	54.3	62%	0.615	29%	0.294	S	S	*	.	H	α-helix	trans	-59.1	-48.4	-179.5	-176.4	-179.7	61.3	76.1	1.9	112.8	A50 E51 Y52 K58	A50-R54 WeakPolarHBondContact O-CB 3.33Å; A50-R54 PolarHBondContact O-N 2.93Å; E51-R54 PolarHBondContact O-N 3.38Å; Y52-R54 PolarHBondContact O-N 3.17Å; R54-K58 WeakPolarHBondContact O-CB 3.5Å; R54-K58 PolarHBondContact O-N 2.87Å; R54-K58 VanDerWaalsContact O-N 3.16Å
55	V	97.5	Very high	94.1	Very high	10 Å²	10	53 Å²	53	6%	0.061	28%	0.281	C	S	.	.	H	α-helix	trans	-73.2	-45.3	-175.1	174.4	0	0	0	0	110.9	E51 Y52 E53 K58 T59 Y125 W132	E51-V55 WeakPolarHBondContact O-CB 3.17Å; E51-V55 VanDerWaalsContact O-CG2 3.27Å; E51-V55 WeakPolarHBondContact O-CG2 3.38Å; E51-V55 PolarHBondContact O-N 2.79Å; Y52-V55 PolarHBondContact O-N 2.86Å; E53-V55 PolarHBondContact O-N 2.78Å; V55-K58 PolarHBondContact O-N 3.09Å; V55-T59 WeakPolarHBondContact O-CB 3.4Å; V55-T59 PolarHBondContact O-N 3.4Å; V55-T59 PolarHBondContact O-OG1 3.44Å; V55-Y125 HydrophobicContact CG1-CD1 4.25Å; V55-Y125 HydrophobicContact CG1-CD2 3.71Å; V55-Y125 HydrophobicContact CG1-CE1 3.91Å; V55-Y125 HydrophobicContact CG1-CE2 3.35Å; V55-Y125 HydrophobicContact CG1-CG 4.13Å; V55-Y125 VanDerWaalsContact CG1-CZ 3.43Å; V55-Y125 HydrophobicContact CG2-CE1 4.26Å; V55-W132 HydrophobicContact CG1-CZ2 3.9Å
56	S	97.9	Very high	95.9	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-65.9	-41.4	-178.7	64.1	0	0	0	0	112.4	Y52 E53 T59 L60 R104	Y52-S56 WeakPolarHBondContact O-CB 3.09Å; Y52-S56 PolarHBondContact O-N 2.85Å; Y52-S56 PolarHBondContact O-OG 3.1Å; E53-S56 PolarHBondContact O-OG 3.23Å; S56-T59 PolarHBondContact O-N 3.1Å; S56-L60 WeakPolarHBondContact O-CG 3.44Å; S56-L60 PolarHBondContact O-N 3.34Å; S56-R104 VanDerWaalsContact OG-CD 3.24Å; S56-R104 WeakPolarHBondContact OG-CD 3.48Å
57	T	98.1	Very high	97.1	Very high	37 Å²	37	47.1 Å²	47.1	23%	0.227	25%	0.246	C	C	.	.	H	α-helix	trans	-61	-50	173.7	-62	0	0	0	0	110.7	E53 T59 L60 E61 R104	E53-T57 WeakPolarHBondContact O-CB 3.39Å; E53-T57 PolarHBondContact O-N 3.04Å; E53-T57 PolarHBondContact O-OG1 2.86Å; T57-T59 VanDerWaalsContact C-N 3.31Å; T57-T59 PolarHBondContact O-N 3.25Å; T57-L60 PolarHBondContact O-N 3.41Å; T57-L60 VanDerWaalsContact O-N 3.17Å; T57-E61 HydrophobicContact CG2-CG 4.4Å; T57-E61 WeakPolarHBondContact CG2-OE1 3.42Å; T57-E61 WeakPolarHBondContact O-CG 3.41Å; T57-E61 PolarHBondContact O-N 3.02Å; T57-R104 PolarHBondContact OG1-NH1 3.43Å
58	K	97.8	Very high	97.5	Very high	97 Å²	97	51.5 Å²	51.5	42%	0.422	27%	0.266	S	S	.	.	H	α-helix	trans	-61.4	-39.6	-179.8	-176.1	55.1	179.8	165.3	0	112.7	R54 V55 L62	R54-K58 WeakPolarHBondContact O-CB 3.5Å; R54-K58 PolarHBondContact O-N 2.87Å; R54-K58 VanDerWaalsContact O-N 3.16Å; V55-K58 PolarHBondContact O-N 3.09Å; K58-L62 HydrophobicContact CD-CD1 4.34Å; K58-L62 HydrophobicContact CD-CG 4.19Å; K58-L62 HydrophobicContact CG-CD1 4.24Å; K58-L62 WeakPolarHBondContact O-CG 3.05Å; K58-L62 PolarHBondContact O-N 2.8Å
59	T	98.4	Very high	97.7	Very high	5 Å²	5	54 Å²	54	3%	0.031	27%	0.273	C	S	.	.	H	α-helix	trans	-61.6	-46.7	175.6	-63.2	0	0	0	0	111.5	V55 S56 T57 L62 L63 L111 W132	V55-T59 WeakPolarHBondContact O-CB 3.4Å; V55-T59 PolarHBondContact O-N 3.4Å; V55-T59 PolarHBondContact O-OG1 3.44Å; S56-T59 PolarHBondContact O-N 3.1Å; T57-T59 VanDerWaalsContact C-N 3.31Å; T57-T59 PolarHBondContact O-N 3.25Å; T59-L62 PolarHBondContact O-N 2.82Å; T59-L63 HydrophobicContact CG2-CD1 3.94Å; T59-L63 HydrophobicContact CG2-CG 4.45Å; T59-L63 WeakPolarHBondContact O-CB 3.35Å; T59-L63 WeakPolarHBondContact O-CG 3.45Å; T59-L63 PolarHBondContact O-N 2.85Å; T59-L111 HydrophobicContact CG2-CD1 3.87Å; T59-W132 PolarHBondContact OG1-NE1 2.98Å
60	L	98.5	Very high	97.7	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-67	-37.8	180	-69	-175	0	0	0	112.6	S56 T57 L63 A64 H84 L89 I102 R104 L111	S56-L60 WeakPolarHBondContact O-CG 3.44Å; S56-L60 PolarHBondContact O-N 3.34Å; T57-L60 PolarHBondContact O-N 3.41Å; T57-L60 VanDerWaalsContact O-N 3.17Å; L60-L63 PolarHBondContact O-N 3.28Å; L60-A64 VanDerWaalsContact O-CB 3.29Å; L60-A64 WeakPolarHBondContact O-CB 3.24Å; L60-A64 PolarHBondContact O-N 2.87Å; L60-H84 WeakPolarHBondContact CB-NE2 3.08Å; L60-L89 HydrophobicContact CD2-CB 4.1Å; L60-L89 HydrophobicContact CD2-CD2 4.47Å; L60-I102 HydrophobicContact CD2-CB 4.05Å; L60-I102 HydrophobicContact CD2-CG2 3.64Å; L60-R104 HydrophobicContact CD1-CG 3.72Å; L60-L111 HydrophobicContact CD2-CD2 4.41Å; L60-L111 HydrophobicContact CG-CD2 4.42Å
61	E	97.9	Very high	97.8	Very high	82 Å²	82	48.2 Å²	48.2	38%	0.383	24%	0.235	S	C	.	.	H	α-helix	trans	-58.4	-51.3	173	-71.8	170.7	174.7	0	0	111.5	T57 L63 A64 D65	T57-E61 HydrophobicContact CG2-CG 4.4Å; T57-E61 WeakPolarHBondContact CG2-OE1 3.42Å; T57-E61 WeakPolarHBondContact O-CG 3.41Å; T57-E61 PolarHBondContact O-N 3.02Å; E61-L63 VanDerWaalsContact C-N 3.33Å; E61-L63 PolarHBondContact O-N 3.45Å; E61-A64 WeakPolarHBondContact O-CB 3.26Å; E61-A64 PolarHBondContact O-N 3.47Å; E61-D65 VanDerWaalsContact O-CG 3.27Å; E61-D65 PolarHBondContact O-N 3.39Å
62	L	97.9	Very high	97.8	Very high	49 Å²	49	51.9 Å²	51.9	26%	0.257	25%	0.252	S	S	.	.	H	α-helix	trans	-64.1	-37.4	-179.7	-70.6	176.1	0	0	0	113	K58 T59 S66	K58-L62 HydrophobicContact CD-CD1 4.34Å; K58-L62 HydrophobicContact CD-CG 4.19Å; K58-L62 HydrophobicContact CG-CD1 4.24Å; K58-L62 WeakPolarHBondContact O-CG 3.05Å; K58-L62 PolarHBondContact O-N 2.8Å; T59-L62 PolarHBondContact O-N 2.82Å; L62-S66 WeakPolarHBondContact O-CB 3.26Å; L62-S66 PolarHBondContact O-N 2.99Å; L62-S66 VanDerWaalsContact O-N 3.1Å; L62-S66 PolarHBondContact O-OG 3.3Å
63	L	98.5	Very high	97.7	Very high	1 Å²	1	59.5 Å²	59.5	1%	0.005	28%	0.281	C	S	.	.	H	α-helix	trans	-66.4	-45.7	174.4	-74.1	173.9	0	0	0	110.9	T59 L60 E61 S66 F67 L89 I102 L141 L145 F159	T59-L63 HydrophobicContact CG2-CD1 3.94Å; T59-L63 HydrophobicContact CG2-CG 4.45Å; T59-L63 WeakPolarHBondContact O-CB 3.35Å; T59-L63 WeakPolarHBondContact O-CG 3.45Å; T59-L63 PolarHBondContact O-N 2.85Å; L60-L63 PolarHBondContact O-N 3.28Å; E61-L63 VanDerWaalsContact C-N 3.33Å; E61-L63 PolarHBondContact O-N 3.45Å; L63-S66 WeakPolarHBondContact O-CB 3.29Å; L63-S66 PolarHBondContact O-N 3.41Å; L63-F67 HydrophobicContact CB-CD2 4.43Å; L63-F67 HydrophobicContact CB-CE2 4.48Å; L63-F67 HydrophobicContact CD2-CE2 4.5Å; L63-F67 WeakPolarHBondContact O-CD2 3.42Å; L63-F67 PolarHBondContact O-N 3.34Å; L63-L89 HydrophobicContact CB-CD2 3.65Å; L63-I102 HydrophobicContact CD1-CD1 3.91Å; L63-L141 HydrophobicContact CD1-CD2 4.15Å; L63-L145 HydrophobicContact CD1-CD1 4.27Å; L63-L145 HydrophobicContact CD2-CD1 4Å; L63-F159 HydrophobicContact CD2-CB 4.15Å; L63-F159 HydrophobicContact CD2-CD1 3.81Å; L63-F159 HydrophobicContact CD2-CG 4.13Å
64	A	98.4	Very high	97.7	Very high	2 Å²	2	57.1 Å²	57.1	2%	0.017	27%	0.269	C	S	.	.	H	α-helix	trans	-56.1	-52.9	176.9	0	0	0	0	0	110.8	L60 E61 S66 F67 E68 H84 L89	L60-A64 VanDerWaalsContact O-CB 3.29Å; L60-A64 WeakPolarHBondContact O-CB 3.24Å; L60-A64 PolarHBondContact O-N 2.87Å; E61-A64 WeakPolarHBondContact O-CB 3.26Å; E61-A64 PolarHBondContact O-N 3.47Å; A64-S66 PolarHBondContact O-N 3.19Å; A64-F67 PolarHBondContact O-N 2.62Å; A64-F67 VanDerWaalsContact O-N 3.08Å; A64-E68 WeakPolarHBondContact O-CG 3.17Å; A64-E68 PolarHBondContact O-N 3.14Å; A64-H84 HydrophobicContact CB-CB 3.91Å; A64-L89 HydrophobicContact CB-CD1 3.93Å
65	D	97.8	Very high	97.6	Very high	74 Å²	74	54.6 Å²	54.6	40%	0.396	28%	0.283	S	S	.	.	H	α-helix	trans	-55.3	-40.5	177.6	-65.9	-11.6	0	0	0	111.8	E61 Q69	E61-D65 VanDerWaalsContact O-CG 3.27Å; E61-D65 PolarHBondContact O-N 3.39Å; D65-Q69 WeakPolarHBondContact O-CG 3.37Å; D65-Q69 PolarHBondContact O-N 3.3Å; D65-Q69 PolarHBondContact O-NE2 3.48Å
66	S	97.7	Very high	97.6	Very high	43 Å²	43	56.3 Å²	56.3	30%	0.301	29%	0.291	S	S	.	.	H	α-helix	trans	-69.5	-39	179.6	-60	0	0	0	0	112.4	L62 L63 A64 L70	L62-S66 WeakPolarHBondContact O-CB 3.26Å; L62-S66 PolarHBondContact O-N 2.99Å; L62-S66 VanDerWaalsContact O-N 3.1Å; L62-S66 PolarHBondContact O-OG 3.3Å; L63-S66 WeakPolarHBondContact O-CB 3.29Å; L63-S66 PolarHBondContact O-N 3.41Å; A64-S66 PolarHBondContact O-N 3.19Å; S66-L70 PolarHBondContact O-N 2.62Å
67	F	98.4	Very high	97.4	Very high	0 Å²	0	59.2 Å²	59.2	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-72.3	-36.8	176.7	-81.1	-67.7	0	0	0	111.8	L63 A64 Q69 L70 Y80 V82 L89 I91 F93 I149 F159	L63-F67 HydrophobicContact CB-CD2 4.43Å; L63-F67 HydrophobicContact CB-CE2 4.48Å; L63-F67 HydrophobicContact CD2-CE2 4.5Å; L63-F67 WeakPolarHBondContact O-CD2 3.42Å; L63-F67 PolarHBondContact O-N 3.34Å; A64-F67 PolarHBondContact O-N 2.62Å; A64-F67 VanDerWaalsContact O-N 3.08Å; F67-Q69 VanDerWaalsContact C-N 3.26Å; F67-Q69 PolarHBondContact O-N 2.85Å; F67-L70 HydrophobicContact CD1-CD2 4.35Å; F67-L70 VanDerWaalsContact O-CB 3.26Å; F67-L70 WeakPolarHBondContact O-CB 3.36Å; F67-L70 PolarHBondContact O-N 2.87Å; F67-L70 VanDerWaalsContact O-N 3.17Å; F67-Y80 PolarHBondContact O-OH 3.21Å; F67-V82 HydrophobicContact CB-CG1 4.08Å; F67-V82 HydrophobicContact CB-CG2 3.86Å; F67-L89 HydrophobicContact CD2-CD2 4.25Å; F67-I91 HydrophobicContact CB-CG1 4.37Å; F67-I91 HydrophobicContact CD1-CG1 4.08Å; F67-I91 HydrophobicContact CD1-CG2 3.88Å; F67-I91 HydrophobicContact CD2-CD1 4.06Å; F67-I91 HydrophobicContact CD2-CG1 3.77Å; F67-I91 HydrophobicContact CE1-CG1 4.28Å; F67-I91 HydrophobicContact CE1-CG2 4.21Å; F67-I91 HydrophobicContact CE2-CD1 3.9Å; F67-I91 HydrophobicContact CE2-CG1 4.02Å; F67-I91 HydrophobicContact CG-CG1 3.83Å; F67-I91 HydrophobicContact CG-CG2 4.32Å; F67-I91 HydrophobicContact CZ-CD1 4.26Å; F67-I91 HydrophobicContact CZ-CG1 4.27Å; F67-F93 HydrophobicContact CD1-CZ 4.37Å; F67-F93 HydrophobicContact CE1-CE2 4.29Å; F67-F93 HydrophobicContact CE1-CZ 4.08Å; F67-I149 HydrophobicContact CE1-CD1 4.14Å; F67-I149 HydrophobicContact CE1-CG1 3.92Å; F67-I149 HydrophobicContact CZ-CG1 4.18Å; F67-F159 HydrophobicContact CD1-CE1 4.22Å; F67-F159 HydrophobicContact CD1-CZ 4.08Å; F67-F159 HydrophobicContact CD2-CE1 4.11Å; F67-F159 AromaticContact CE1-CE1 4Å; F67-F159 HydrophobicContact CE1-CE1 4Å; F67-F159 AromaticContact CE1-CZ 3.52Å; F67-F159 HydrophobicContact CE1-CZ 3.52Å; F67-F159 AromaticContact CE2-CE1 3.86Å; F67-F159 HydrophobicContact CE2-CE1 3.86Å; F67-F159 HydrophobicContact CE2-CZ 4.05Å; F67-F159 HydrophobicContact CG-CE1 4.27Å; F67-F159 AromaticContact CZ-CE1 3.8Å; F67-F159 HydrophobicContact CZ-CE1 3.8Å; F67-F159 HydrophobicContact CZ-CE2 4.28Å; F67-F159 AromaticContact CZ-CZ 3.49Å; F67-F159 HydrophobicContact CZ-CZ 3.49Å; F67-F159 VanDerWaalsContact CZ-CZ 3.49Å
68	E	98	Very high	97.4	Very high	107 Å²	107	66.5 Å²	66.5	50%	0.5	34%	0.335	S	S	.	.	H	α-helix	trans	-62.4	-33.8	175.9	-74.5	176.5	-177.6	0	0	112.3	A64 P71 V82	A64-E68 WeakPolarHBondContact O-CG 3.17Å; A64-E68 PolarHBondContact O-N 3.14Å; E68-P71 VanDerWaalsContact O-CD 3.29Å; E68-P71 WeakPolarHBondContact O-CD 3.23Å; E68-V82 HydrophobicContact CG-CB 4.14Å; E68-V82 HydrophobicContact CG-CG1 4.09Å
69	Q	97.2	Very high	97.3	Very high	104 Å²	104	66.3 Å²	66.3	49%	0.486	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-11.2	177	-72.2	168.6	62.9	0	0	114	D65 F67 P71 E72	D65-Q69 WeakPolarHBondContact O-CG 3.37Å; D65-Q69 PolarHBondContact O-N 3.3Å; D65-Q69 PolarHBondContact O-NE2 3.48Å; F67-Q69 VanDerWaalsContact C-N 3.26Å; F67-Q69 PolarHBondContact O-N 2.85Å; Q69-P71 VanDerWaalsContact C-CD 3.45Å; Q69-E72 WeakPolarHBondContact O-CB 3.22Å; Q69-E72 PolarHBondContact O-N 3.17Å; Q69-E72 VanDerWaalsContact O-N 3.1Å
70	L	97.4	Very high	97.3	Very high	4 Å²	4	67.7 Å²	67.7	2%	0.021	34%	0.341	C	S	.	.	H	α-helix	trans	-58.4	-41.5	-175.7	-163	68.5	0	0	0	113.7	S66 F67 E72 R73 F74 L76 Y80 F93 I149 V153 V157	S66-L70 PolarHBondContact O-N 2.62Å; F67-L70 HydrophobicContact CD1-CD2 4.35Å; F67-L70 VanDerWaalsContact O-CB 3.26Å; F67-L70 WeakPolarHBondContact O-CB 3.36Å; F67-L70 PolarHBondContact O-N 2.87Å; F67-L70 VanDerWaalsContact O-N 3.17Å; L70-E72 PolarHBondContact O-N 3.07Å; L70-R73 PolarHBondContact O-N 2.95Å; L70-R73 VanDerWaalsContact O-N 3.1Å; L70-F74 HydrophobicContact CD1-CD2 3.59Å; L70-F74 HydrophobicContact CD1-CE2 3.78Å; L70-F74 HydrophobicContact CG-CD2 4.1Å; L70-F74 PolarHBondContact O-N 3.45Å; L70-F74 VanDerWaalsContact O-N 3.09Å; L70-L76 HydrophobicContact CB-CD1 4.22Å; L70-L76 HydrophobicContact CD2-CD1 3.96Å; L70-L76 HydrophobicContact CG-CD1 4.02Å; L70-Y80 HydrophobicContact CD2-CE2 4.36Å; L70-F93 HydrophobicContact CD2-CE1 3.85Å; L70-F93 HydrophobicContact CD2-CZ 3.95Å; L70-I149 HydrophobicContact CD2-CG2 3.83Å; L70-V153 HydrophobicContact CD2-CG1 4.05Å; L70-V153 HydrophobicContact CG-CG1 4.47Å; L70-V157 HydrophobicContact CD1-CG1 4.15Å; L70-V157 HydrophobicContact CD1-CG2 3.97Å
71	P	97.1	Very high	97.3	Very high	62 Å²	62	71.4 Å²	71.4	40%	0.403	36%	0.361	S	S	.	.	H	α-helix	trans	-62.3	-21.3	176.1	-20.9	32.4	0	0	0	114.8	E68 Q69 R73 L76 Y80	E68-P71 VanDerWaalsContact O-CD 3.29Å; E68-P71 WeakPolarHBondContact O-CD 3.23Å; Q69-P71 VanDerWaalsContact C-CD 3.45Å; P71-R73 PolarHBondContact O-N 2.87Å; P71-L76 HydrophobicContact CB-CD1 4.46Å; P71-L76 HydrophobicContact CG-CD1 4.01Å; P71-Y80 HydrophobicContact CG-CD1 3.57Å; P71-Y80 HydrophobicContact CG-CE1 3.48Å; P71-Y80 VanDerWaalsContact CG-CE1 3.48Å
72	E	96.7	Very high	97.4	Very high	160 Å²	160	68.5 Å²	68.5	75%	0.748	35%	0.349	S	S	*	.	H	α-helix	trans	-71.3	-24	176.7	-57.8	-175.8	-177.5	0	0	111.9	Q69 L70	Q69-E72 WeakPolarHBondContact O-CB 3.22Å; Q69-E72 PolarHBondContact O-N 3.17Å; Q69-E72 VanDerWaalsContact O-N 3.1Å; L70-E72 PolarHBondContact O-N 3.07Å
73	R	96.3	Very high	97.4	Very high	164 Å²	164	70.4 Å²	70.4	62%	0.619	36%	0.356	S	S	*	.	H	α-helix	trans	-106.7	-26.2	-173.9	-65.8	174.1	59.2	-174.1	-4.6	113.2	L70 P71 P156	L70-R73 PolarHBondContact O-N 2.95Å; L70-R73 VanDerWaalsContact O-N 3.1Å; P71-R73 PolarHBondContact O-N 2.87Å; R73-P156 PolarHBondContact NH2-O 3.27Å
74	F	97.5	Very high	97.4	Very high	36 Å²	36	73.6 Å²	73.6	16%	0.158	37%	0.371	C	S	.	.	S	Bend	trans	-135.4	143.9	-173.6	-56.3	-81.3	0	0	0	111	L70 L76 V153 V157	L70-F74 HydrophobicContact CD1-CD2 3.59Å; L70-F74 HydrophobicContact CD1-CE2 3.78Å; L70-F74 HydrophobicContact CG-CD2 4.1Å; L70-F74 PolarHBondContact O-N 3.45Å; L70-F74 VanDerWaalsContact O-N 3.09Å; F74-L76 HydrophobicContact CB-CD2 4.05Å; F74-L76 PolarHBondContact O-N 3.22Å; F74-V153 HydrophobicContact CB-CB 4.01Å; F74-V153 HydrophobicContact CB-CG1 4.45Å; F74-V153 HydrophobicContact CD1-CB 3.92Å; F74-V153 HydrophobicContact CD1-CG2 3.63Å; F74-V153 HydrophobicContact CD2-CB 4.33Å; F74-V153 HydrophobicContact CD2-CG2 4.02Å; F74-V153 HydrophobicContact CE1-CG2 3.72Å; F74-V153 HydrophobicContact CE2-CG2 4.1Å; F74-V153 HydrophobicContact CG-CB 3.82Å; F74-V153 HydrophobicContact CG-CG1 4.45Å; F74-V153 HydrophobicContact CG-CG2 3.79Å; F74-V153 HydrophobicContact CZ-CG2 3.95Å; F74-V157 HydrophobicContact CD2-CG2 4.47Å; F74-V157 HydrophobicContact CE2-CG2 3.64Å; F74-V157 HydrophobicContact CZ-CG2 3.76Å
75	A	95.5	Very high	97.4	Very high	110 Å²	110	76 Å²	76	91%	0.909	39%	0.391	S	S	*	.			trans	-75.9	106.8	172.7	0	0	0	0	0	109.5
76	L	96	Very high	97.3	Very high	45 Å²	45	83.5 Å²	83.5	24%	0.236	42%	0.415	C	S	.	.			trans	-103.4	168	179.8	-55.1	-176	0	0	0	111.7	L70 P71 F74 Y80 V153	L70-L76 HydrophobicContact CB-CD1 4.22Å; L70-L76 HydrophobicContact CD2-CD1 3.96Å; L70-L76 HydrophobicContact CG-CD1 4.02Å; P71-L76 HydrophobicContact CB-CD1 4.46Å; P71-L76 HydrophobicContact CG-CD1 4.01Å; F74-L76 HydrophobicContact CB-CD2 4.05Å; F74-L76 PolarHBondContact O-N 3.22Å; L76-Y80 HydrophobicContact CB-CD2 4.36Å; L76-Y80 HydrophobicContact CB-CG 4.11Å; L76-Y80 HydrophobicContact CD1-CD1 3.77Å; L76-Y80 HydrophobicContact CD1-CD2 3.48Å; L76-Y80 VanDerWaalsContact CD1-CD2 3.48Å; L76-Y80 HydrophobicContact CD1-CE1 3.82Å; L76-Y80 HydrophobicContact CD1-CE2 3.56Å; L76-Y80 HydrophobicContact CD1-CG 3.58Å; L76-Y80 HydrophobicContact CG-CD2 4.49Å; L76-Y80 HydrophobicContact CG-CG 4.49Å; L76-V153 HydrophobicContact CD2-CB 4.34Å; L76-V153 HydrophobicContact CD2-CG1 3.63Å
77	N	95.2	Very high	97.3	Very high	61 Å²	61	81.8 Å²	81.8	33%	0.326	40%	0.404	S	S	.	.			trans	-60.5	148.4	174.1	-167.8	-63.1	0	0	0	110.4	E79 Y80 F93	N77-E79 PolarHBondContact O-N 2.9Å; N77-E79 VanDerWaalsContact O-N 3.12Å; N77-E79 WeakPolarHBondContact OD1-CB 3.42Å; N77-E79 PolarHBondContact OD1-N 3.19Å; N77-Y80 WeakPolarHBondContact O-CB 3.16Å; N77-Y80 PolarHBondContact O-N 3.08Å; N77-F93 WeakPolarHBondContact CB-O 3.49Å
78	K	96.4	Very high	97.3	Very high	190 Å²	190	84.7 Å²	84.7	83%	0.826	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-21.5	174.3	71.9	-176.8	179.7	172.8	0	113.7	Y80	K78-Y80 VanDerWaalsContact C-N 3.31Å
79	E	97	Very high	97.3	Very high	94 Å²	94	79.6 Å²	79.6	44%	0.439	40%	0.398	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.1	8.4	177.7	-63.1	170	-156.7	0	0	112	N77 D81 P95	N77-E79 PolarHBondContact O-N 2.9Å; N77-E79 VanDerWaalsContact O-N 3.12Å; N77-E79 WeakPolarHBondContact OD1-CB 3.42Å; N77-E79 PolarHBondContact OD1-N 3.19Å; E79-D81 PolarHBondContact O-N 3.46Å; E79-P95 WeakPolarHBondContact OE2-CD 3.49Å
80	Y	98.5	Very high	97.4	Very high	33 Å²	33	78.2 Å²	78.2	13%	0.129	39%	0.39	C	S	.	.			trans	-63.9	126.3	171.8	-177.6	-96.5	0	0	0	110.3	F67 L70 P71 L76 N77 K78 V82 I91 T92 F93	F67-Y80 PolarHBondContact O-OH 3.21Å; L70-Y80 HydrophobicContact CD2-CE2 4.36Å; P71-Y80 HydrophobicContact CG-CD1 3.57Å; P71-Y80 HydrophobicContact CG-CE1 3.48Å; P71-Y80 VanDerWaalsContact CG-CE1 3.48Å; L76-Y80 HydrophobicContact CB-CD2 4.36Å; L76-Y80 HydrophobicContact CB-CG 4.11Å; L76-Y80 HydrophobicContact CD1-CD1 3.77Å; L76-Y80 HydrophobicContact CD1-CD2 3.48Å; L76-Y80 VanDerWaalsContact CD1-CD2 3.48Å; L76-Y80 HydrophobicContact CD1-CE1 3.82Å; L76-Y80 HydrophobicContact CD1-CE2 3.56Å; L76-Y80 HydrophobicContact CD1-CG 3.58Å; L76-Y80 HydrophobicContact CG-CD2 4.49Å; L76-Y80 HydrophobicContact CG-CG 4.49Å; N77-Y80 WeakPolarHBondContact O-CB 3.16Å; N77-Y80 PolarHBondContact O-N 3.08Å; K78-Y80 VanDerWaalsContact C-N 3.31Å; Y80-V82 HydrophobicContact CE1-CG2 3.68Å; Y80-I91 HydrophobicContact CE2-CG2 3.83Å; Y80-T92 VanDerWaalsContact CA-O 3.22Å; Y80-T92 WeakPolarHBondContact CA-O 3.24Å; Y80-T92 WeakPolarHBondContact CD2-O 3.46Å; Y80-F93 AromaticContact CD2-CD1 3.77Å; Y80-F93 HydrophobicContact CD2-CD1 3.77Å; Y80-F93 HydrophobicContact CD2-CE1 4Å; Y80-F93 HydrophobicContact CD2-CG 4.17Å; Y80-F93 AromaticContact CE2-CD1 3.77Å; Y80-F93 HydrophobicContact CE2-CD1 3.77Å; Y80-F93 HydrophobicContact CE2-CD2 4.44Å; Y80-F93 AromaticContact CE2-CE1 3.53Å; Y80-F93 HydrophobicContact CE2-CE1 3.53Å; Y80-F93 HydrophobicContact CE2-CE2 4.24Å; Y80-F93 HydrophobicContact CE2-CG 4.23Å; Y80-F93 AromaticContact CE2-CZ 3.78Å; Y80-F93 HydrophobicContact CE2-CZ 3.78Å
81	D	98.6	Very high	97.5	Very high	78 Å²	78	78 Å²	78	42%	0.417	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	147.1	-178	-173.1	38.6	0	0	0	111.4	E79 E83 I91 T92	E79-D81 PolarHBondContact O-N 3.46Å; D81-E83 WeakPolarHBondContact OD2-CG 3.25Å; D81-I91 WeakPolarHBondContact O-CA 3.33Å; D81-T92 PolarHBondContact N-O 3.1Å; D81-T92 PolarHBondContact O-N 3.2Å
82	V	98.7	Very high	97.6	Very high	22 Å²	22	76.3 Å²	76.3	13%	0.133	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	117.3	-178.9	-174.1	0	0	0	0	108.6	F67 E68 Y80 L89 I91	F67-V82 HydrophobicContact CB-CG1 4.08Å; F67-V82 HydrophobicContact CB-CG2 3.86Å; E68-V82 HydrophobicContact CG-CB 4.14Å; E68-V82 HydrophobicContact CG-CG1 4.09Å; Y80-V82 HydrophobicContact CE1-CG2 3.68Å; V82-L89 HydrophobicContact CG1-CD1 3.83Å; V82-I91 HydrophobicContact CG2-CG2 4.36Å
83	E	98.7	Very high	97.6	Very high	88 Å²	88	69.1 Å²	69.1	41%	0.411	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	117	178.5	-59.2	176.3	-93.4	0	0	109.4	D81 L89 K90	D81-E83 WeakPolarHBondContact OD2-CG 3.25Å; E83-L89 CarbonylContact O-C 3.47Å; E83-L89 WeakPolarHBondContact O-CA 3.3Å; E83-K90 HydrophobicContact CB-CB 4.34Å; E83-K90 PolarHBondContact N-O 2.96Å; E83-K90 PolarHBondContact O-N 3.28Å; E83-K90 WeakPolarHBondContact OE1-CD 3.29Å; E83-K90 WeakPolarHBondContact OE1-CE 3.38Å; E83-K90 IonicContact OE1-NZ 2.69Å; E83-K90 PolarHBondContact OE1-NZ 2.99Å
84	H	98.4	Very high	97.7	Very high	69 Å²	69	61.5 Å²	61.5	32%	0.319	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	109.1	175.4	-177.1	-152.5	0	0	0	110.9	L60 A64 V88 L89	L60-H84 WeakPolarHBondContact CB-NE2 3.08Å; A64-H84 HydrophobicContact CB-CB 3.91Å; H84-V88 WeakPolarHBondContact CA-O 3.1Å; H84-L89 HydrophobicContact CB-CD1 3.92Å
85	A	97.8	Very high	97.6	Very high	52 Å²	52	64.6 Å²	64.6	43%	0.43	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	144.9	179.4	0	0	0	0	0	112.2	G87 V88	A85-G87 PolarHBondContact O-N 3.06Å; A85-V88 PolarHBondContact N-O 3.14Å; A85-V88 PolarHBondContact O-N 2.93Å; A85-V88 VanDerWaalsContact O-O 3.12Å
86	Y	96.2	Very high	97.6	Very high	232 Å²	232	68.1 Å²	68.1	91%	0.91	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.6	33.2	171.8	-53.3	-69.7	0	0	0	115
87	G	97.8	Very high	97.7	Very high	7 Å²	7	68 Å²	68	7%	0.072	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	trans	78.4	19.3	-178.5	0	0	0	0	0	114.7	A85 N103 R104	A85-G87 PolarHBondContact O-N 3.06Å; G87-N103 WeakPolarHBondContact O-CA 3.35Å; G87-R104 VanDerWaalsContact CA-NE 3.26Å; G87-R104 PolarHBondContact O-N 3.1Å
88	V	98.7	Very high	97.8	Very high	61 Å²	61	66.1 Å²	66.1	37%	0.37	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	124.2	172.6	-174.9	0	0	0	0	108.2	H84 A85 I101 N103	H84-V88 WeakPolarHBondContact CA-O 3.1Å; A85-V88 PolarHBondContact N-O 3.14Å; A85-V88 PolarHBondContact O-N 2.93Å; A85-V88 VanDerWaalsContact O-O 3.12Å; V88-I101 HydrophobicContact CG1-CG2 3.83Å; V88-N103 HydrophobicContact CG1-CB 4.4Å; V88-N103 HydrophobicContact CG2-CB 4.09Å
89	L	98.8	Very high	97.9	Very high	0 Å²	0	59.4 Å²	59.4	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	119.2	170.2	172.4	61.7	0	0	0	108.1	L60 L63 A64 F67 V82 E83 H84 I91 I101 I102	L60-L89 HydrophobicContact CD2-CB 4.1Å; L60-L89 HydrophobicContact CD2-CD2 4.47Å; L63-L89 HydrophobicContact CB-CD2 3.65Å; A64-L89 HydrophobicContact CB-CD1 3.93Å; F67-L89 HydrophobicContact CD2-CD2 4.25Å; V82-L89 HydrophobicContact CG1-CD1 3.83Å; E83-L89 CarbonylContact O-C 3.47Å; E83-L89 WeakPolarHBondContact O-CA 3.3Å; H84-L89 HydrophobicContact CB-CD1 3.92Å; L89-I91 HydrophobicContact CD1-CD1 4.28Å; L89-I91 HydrophobicContact CD1-CG1 4.35Å; L89-I91 HydrophobicContact CD2-CD1 4.05Å; L89-I91 HydrophobicContact CG-CD1 3.68Å; L89-I91 HydrophobicContact CG-CG1 4.28Å; L89-I101 CarbonylContact O-C 3.58Å; L89-I101 WeakPolarHBondContact O-CA 3.28Å; L89-I102 HydrophobicContact CB-CB 4.4Å; L89-I102 HydrophobicContact CD2-CD1 4.34Å; L89-I102 PolarHBondContact N-O 3.5Å; L89-I102 PolarHBondContact O-N 3.14Å
90	K	98.8	Very high	98	Very high	74 Å²	74	55 Å²	55	32%	0.322	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	127.1	178.5	176.7	-177.1	165.7	-144.9	0	108.5	E83 T99 Y100 I101	E83-K90 HydrophobicContact CB-CB 4.34Å; E83-K90 PolarHBondContact N-O 2.96Å; E83-K90 PolarHBondContact O-N 3.28Å; E83-K90 WeakPolarHBondContact OE1-CD 3.29Å; E83-K90 WeakPolarHBondContact OE1-CE 3.38Å; E83-K90 IonicContact OE1-NZ 2.69Å; E83-K90 PolarHBondContact OE1-NZ 2.99Å; K90-T99 HydrophobicContact CD-CG2 4.28Å; K90-T99 HydrophobicContact CG-CG2 3.58Å; K90-Y100 WeakPolarHBondContact CA-O 3.4Å; K90-I101 HydrophobicContact CG-CG1 4.4Å
91	I	98.8	Very high	98	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	113.2	178.6	-48.5	91.2	0	0	0	108.2	F67 Y80 D81 V82 L89 F93 T99 Y100	F67-I91 HydrophobicContact CB-CG1 4.37Å; F67-I91 HydrophobicContact CD1-CG1 4.08Å; F67-I91 HydrophobicContact CD1-CG2 3.88Å; F67-I91 HydrophobicContact CD2-CD1 4.06Å; F67-I91 HydrophobicContact CD2-CG1 3.77Å; F67-I91 HydrophobicContact CE1-CG1 4.28Å; F67-I91 HydrophobicContact CE1-CG2 4.21Å; F67-I91 HydrophobicContact CE2-CD1 3.9Å; F67-I91 HydrophobicContact CE2-CG1 4.02Å; F67-I91 HydrophobicContact CG-CG1 3.83Å; F67-I91 HydrophobicContact CG-CG2 4.32Å; F67-I91 HydrophobicContact CZ-CD1 4.26Å; F67-I91 HydrophobicContact CZ-CG1 4.27Å; Y80-I91 HydrophobicContact CE2-CG2 3.83Å; D81-I91 WeakPolarHBondContact O-CA 3.33Å; V82-I91 HydrophobicContact CG2-CG2 4.36Å; L89-I91 HydrophobicContact CD1-CD1 4.28Å; L89-I91 HydrophobicContact CD1-CG1 4.35Å; L89-I91 HydrophobicContact CD2-CD1 4.05Å; L89-I91 HydrophobicContact CG-CD1 3.68Å; L89-I91 HydrophobicContact CG-CG1 4.28Å; I91-F93 HydrophobicContact CB-CE2 4.3Å; I91-F93 HydrophobicContact CG2-CD2 3.89Å; I91-F93 HydrophobicContact CG2-CE2 3.42Å; I91-F93 VanDerWaalsContact CG2-CE2 3.42Å; I91-F93 HydrophobicContact CG2-CZ 4.04Å; I91-T99 CarbonylContact O-C 3.54Å; I91-T99 VanDerWaalsContact O-CA 3.31Å; I91-T99 WeakPolarHBondContact O-CA 3.45Å; I91-Y100 PolarHBondContact N-O 2.98Å; I91-Y100 PolarHBondContact O-N 2.79Å
92	T	98.6	Very high	98.1	Very high	26 Å²	26	52.5 Å²	52.5	16%	0.16	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	123.5	177.1	-57	0	0	0	0	108.3	Y80 D81 T99	Y80-T92 VanDerWaalsContact CA-O 3.22Å; Y80-T92 WeakPolarHBondContact CA-O 3.24Å; Y80-T92 WeakPolarHBondContact CD2-O 3.46Å; D81-T92 PolarHBondContact N-O 3.1Å; D81-T92 PolarHBondContact O-N 3.2Å; T92-T99 PolarHBondContact OG1-OG1 3.17Å
93	F	98.2	Very high	98	Very high	9 Å²	9	52.8 Å²	52.8	4%	0.039	28%	0.278	C	S	.	.			trans	-99.8	-2.8	176.3	-81.4	-90.4	0	0	0	113.4	F67 L70 N77 Y80 I91 V97 G98 Y100 I149 I152 V153	F67-F93 HydrophobicContact CD1-CZ 4.37Å; F67-F93 HydrophobicContact CE1-CE2 4.29Å; F67-F93 HydrophobicContact CE1-CZ 4.08Å; L70-F93 HydrophobicContact CD2-CE1 3.85Å; L70-F93 HydrophobicContact CD2-CZ 3.95Å; N77-F93 WeakPolarHBondContact CB-O 3.49Å; Y80-F93 AromaticContact CD2-CD1 3.77Å; Y80-F93 HydrophobicContact CD2-CD1 3.77Å; Y80-F93 HydrophobicContact CD2-CE1 4Å; Y80-F93 HydrophobicContact CD2-CG 4.17Å; Y80-F93 AromaticContact CE2-CD1 3.77Å; Y80-F93 HydrophobicContact CE2-CD1 3.77Å; Y80-F93 HydrophobicContact CE2-CD2 4.44Å; Y80-F93 AromaticContact CE2-CE1 3.53Å; Y80-F93 HydrophobicContact CE2-CE1 3.53Å; Y80-F93 HydrophobicContact CE2-CE2 4.24Å; Y80-F93 HydrophobicContact CE2-CG 4.23Å; Y80-F93 AromaticContact CE2-CZ 3.78Å; Y80-F93 HydrophobicContact CE2-CZ 3.78Å; I91-F93 HydrophobicContact CB-CE2 4.3Å; I91-F93 HydrophobicContact CG2-CD2 3.89Å; I91-F93 HydrophobicContact CG2-CE2 3.42Å; I91-F93 VanDerWaalsContact CG2-CE2 3.42Å; I91-F93 HydrophobicContact CG2-CZ 4.04Å; F93-V97 HydrophobicContact CB-CB 3.61Å; F93-V97 HydrophobicContact CB-CG1 3.6Å; F93-V97 HydrophobicContact CB-CG2 4.19Å; F93-V97 HydrophobicContact CD2-CG1 4.36Å; F93-V97 HydrophobicContact CG-CG1 4.06Å; F93-G98 PolarHBondContact N-O 3.43Å; F93-Y100 AromaticContact CD2-CD2 3.91Å; F93-Y100 HydrophobicContact CD2-CD2 3.91Å; F93-Y100 HydrophobicContact CD2-CE2 4.2Å; F93-Y100 HydrophobicContact CE2-CD2 4.02Å; F93-Y100 HydrophobicContact CE2-CE2 4.32Å; F93-I149 HydrophobicContact CE2-CD1 3.66Å; F93-I149 HydrophobicContact CZ-CD1 3.6Å; F93-I149 HydrophobicContact CZ-CG1 4.44Å; F93-I149 HydrophobicContact CZ-CG2 4.1Å; F93-I152 HydrophobicContact CD1-CG2 3.8Å; F93-I152 HydrophobicContact CE1-CG2 4.07Å; F93-I152 HydrophobicContact CG-CG2 4.42Å; F93-V153 HydrophobicContact CE1-CG1 4.41Å
94	G	96.8	Very high	98	Very high	4 Å²	4	51.7 Å²	51.7	4%	0.041	27%	0.27	C	S	.	.			trans	100.3	173.3	-172	0	0	0	0	0	112.7	E96 V97 G98	G94-E96 VanDerWaalsContact C-N 3.3Å; G94-E96 PolarHBondContact O-N 3.01Å; G94-V97 PolarHBondContact O-N 2.76Å; G94-G98 WeakPolarHBondContact O-CA 3.29Å; G94-G98 PolarHBondContact O-N 2.93Å
95	P	95.8	Very high	98	Very high	101 Å²	101	51 Å²	51	66%	0.656	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.6	-26.1	-166.4	23.4	-35.9	0	0	0	114.5	E79	E79-P95 WeakPolarHBondContact OE2-CD 3.49Å
96	E	96.3	Very high	97.9	Very high	184 Å²	184	51.2 Å²	51.2	86%	0.86	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.1	-28.4	-179.3	-63.5	-177.3	-179.3	0	0	112.6	G94	G94-E96 VanDerWaalsContact C-N 3.3Å; G94-E96 PolarHBondContact O-N 3.01Å
97	V	97.5	Very high	97.9	Very high	43 Å²	43	45.5 Å²	45.5	26%	0.261	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.7	-41.6	-177.7	177.3	0	0	0	0	111	F93 G94 Y100 P116 I152	F93-V97 HydrophobicContact CB-CB 3.61Å; F93-V97 HydrophobicContact CB-CG1 3.6Å; F93-V97 HydrophobicContact CB-CG2 4.19Å; F93-V97 HydrophobicContact CD2-CG1 4.36Å; F93-V97 HydrophobicContact CG-CG1 4.06Å; G94-V97 PolarHBondContact O-N 2.76Å; V97-Y100 HydrophobicContact CG1-CE2 4.29Å; V97-P116 WeakPolarHBondContact O-CB 3.13Å; V97-P116 WeakPolarHBondContact O-CG 3.5Å; V97-I152 HydrophobicContact CG1-CD1 3.54Å; V97-I152 HydrophobicContact CG1-CG1 3.92Å; V97-I152 HydrophobicContact CG1-CG2 4.2Å; V97-I152 HydrophobicContact CG2-CG1 4.5Å; V97-I152 HydrophobicContact CG2-CG2 3.92Å
98	G	98.3	Very high	97.8	Very high	21 Å²	21	49.2 Å²	49.2	22%	0.216	28%	0.278	C	S	.	.			trans	96.6	-159.4	-175.9	0	0	0	0	0	113.5	F93 G94	F93-G98 PolarHBondContact N-O 3.43Å; G94-G98 WeakPolarHBondContact O-CA 3.29Å; G94-G98 PolarHBondContact O-N 2.93Å
99	T	98.6	Very high	97.7	Very high	50 Å²	50	49 Å²	49	31%	0.307	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	127.4	-173	-58.8	0	0	0	0	110.5	K90 I91 T92 I101	K90-T99 HydrophobicContact CD-CG2 4.28Å; K90-T99 HydrophobicContact CG-CG2 3.58Å; I91-T99 CarbonylContact O-C 3.54Å; I91-T99 VanDerWaalsContact O-CA 3.31Å; I91-T99 WeakPolarHBondContact O-CA 3.45Å; T92-T99 PolarHBondContact OG1-OG1 3.17Å; T99-I101 HydrophobicContact CG2-CG1 4.17Å
100	Y	98.8	Very high	97.7	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	139.3	168.8	-73.8	-105.8	0	0	0	109.8	K90 I91 F93 V97 L113 S114 S115 P116 Q117 L145 E148 I149 I152	K90-Y100 WeakPolarHBondContact CA-O 3.4Å; I91-Y100 PolarHBondContact N-O 2.98Å; I91-Y100 PolarHBondContact O-N 2.79Å; F93-Y100 AromaticContact CD2-CD2 3.91Å; F93-Y100 HydrophobicContact CD2-CD2 3.91Å; F93-Y100 HydrophobicContact CD2-CE2 4.2Å; F93-Y100 HydrophobicContact CE2-CD2 4.02Å; F93-Y100 HydrophobicContact CE2-CE2 4.32Å; V97-Y100 HydrophobicContact CG1-CE2 4.29Å; Y100-L113 HydrophobicContact CD1-CD1 4.15Å; Y100-S114 WeakPolarHBondContact CA-O 2.91Å; Y100-S115 WeakPolarHBondContact CE1-OG 3.14Å; Y100-P116 HydrophobicContact CD2-CG 3.8Å; Y100-P116 VanDerWaalsContact CE2-CD 3.43Å; Y100-P116 HydrophobicContact CE2-CG 3.42Å; Y100-P116 VanDerWaalsContact CE2-CG 3.42Å; Y100-Q117 WeakPolarHBondContact OH-CG 3.42Å; Y100-Q117 PolarHBondContact OH-OE1 3.21Å; Y100-L145 HydrophobicContact CD1-CD2 4.22Å; Y100-L145 HydrophobicContact CE1-CD2 4.38Å; Y100-E148 WeakPolarHBondContact CE1-OE2 3.46Å; Y100-E148 PolarHBondContact OH-OE2 3.14Å; Y100-I149 HydrophobicContact CE1-CD1 4.42Å; Y100-I149 HydrophobicContact CE2-CD1 4.18Å; Y100-I152 HydrophobicContact CE2-CD1 3.91Å
101	I	98.8	Very high	97.7	Very high	59 Å²	59	46.6 Å²	46.6	30%	0.303	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	125.4	172.9	-56.4	176	0	0	0	108.6	V88 L89 K90 T99 L113 S114	V88-I101 HydrophobicContact CG1-CG2 3.83Å; L89-I101 CarbonylContact O-C 3.58Å; L89-I101 WeakPolarHBondContact O-CA 3.28Å; K90-I101 HydrophobicContact CG-CG1 4.4Å; T99-I101 HydrophobicContact CG2-CG1 4.17Å; I101-L113 CarbonylContact O-C 3.47Å; I101-L113 WeakPolarHBondContact O-CA 3.37Å; I101-S114 PolarHBondContact N-O 2.92Å; I101-S114 PolarHBondContact O-N 3.24Å
102	I	98.9	Very high	97.7	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	119.4	172.5	-48.7	176.3	0	0	0	107.9	L60 L63 L89 W112 L113 L141 L145	L60-I102 HydrophobicContact CD2-CB 4.05Å; L60-I102 HydrophobicContact CD2-CG2 3.64Å; L63-I102 HydrophobicContact CD1-CD1 3.91Å; L89-I102 HydrophobicContact CB-CB 4.4Å; L89-I102 HydrophobicContact CD2-CD1 4.34Å; L89-I102 PolarHBondContact N-O 3.5Å; L89-I102 PolarHBondContact O-N 3.14Å; I102-W112 CarbonylContact C-O 3.56Å; I102-W112 VanDerWaalsContact CA-O 3.24Å; I102-W112 WeakPolarHBondContact CA-O 3.43Å; I102-L113 HydrophobicContact CD1-CD1 4.38Å; I102-L113 HydrophobicContact CG1-CD1 3.76Å; I102-L141 HydrophobicContact CD1-CD1 4.49Å; I102-L141 HydrophobicContact CG2-CD2 4.37Å; I102-L145 HydrophobicContact CD1-CD1 3.76Å
103	N	98.5	Very high	97.7	Very high	29 Å²	29	48.6 Å²	48.6	16%	0.155	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	145.1	-175.2	69	-77.7	0	0	0	112.3	G87 V88 Q105 W112	G87-N103 WeakPolarHBondContact O-CA 3.35Å; V88-N103 HydrophobicContact CG1-CB 4.4Å; V88-N103 HydrophobicContact CG2-CB 4.09Å; N103-Q105 WeakPolarHBondContact ND2-CG 3.42Å; N103-Q105 PolarHBondContact ND2-NE2 2.75Å; N103-W112 PolarHBondContact N-O 2.94Å; N103-W112 PolarHBondContact O-N 3.45Å; N103-W112 VanDerWaalsContact OD1-CB 3.26Å; N103-W112 WeakPolarHBondContact OD1-CB 3.23Å; N103-W112 PolarHBondContact OD1-O 3.34Å
104	R	98.4	Very high	97.7	Very high	64 Å²	64	50.8 Å²	50.8	24%	0.242	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	142.9	168.4	-66.1	-170.1	-56.6	171.8	9	110.6	Y52 E53 S56 T57 L60 G87 L111	Y52-R104 WeakPolarHBondContact OH-CA 3.47Å; Y52-R104 WeakPolarHBondContact OH-CB 3.39Å; E53-R104 IonicContact OE1-CZ 3.07Å; E53-R104 IonicContact OE1-NH1 3.69Å; E53-R104 PolarHBondContact OE1-NH1 2.63Å; E53-R104 IonicContact OE1-NH2 3.27Å; E53-R104 IonicContact OE2-CZ 2.62Å; E53-R104 IonicContact OE2-NH1 2.66Å; E53-R104 PolarHBondContact OE2-NH1 2.86Å; S56-R104 VanDerWaalsContact OG-CD 3.24Å; S56-R104 WeakPolarHBondContact OG-CD 3.48Å; T57-R104 PolarHBondContact OG1-NH1 3.43Å; L60-R104 HydrophobicContact CD1-CG 3.72Å; G87-R104 VanDerWaalsContact CA-NE 3.26Å; G87-R104 PolarHBondContact O-N 3.1Å; R104-L111 HydrophobicContact CG-CD2 3.86Å
105	Q	97.9	Very high	97.8	Very high	55 Å²	55	50.8 Å²	50.8	26%	0.257	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	79.6	172.4	-75.5	-69.6	-19.1	0	0	109	Y52 N103 N108 K109 Q110 W112	Y52-Q105 PolarHBondContact OH-N 3.3Å; N103-Q105 WeakPolarHBondContact ND2-CG 3.42Å; N103-Q105 PolarHBondContact ND2-NE2 2.75Å; Q105-N108 CarbonylContact O-C 3.51Å; Q105-N108 PolarHBondContact O-N 3.47Å; Q105-N108 VanDerWaalsContact O-N 3.14Å; Q105-K109 PolarHBondContact O-N 2.92Å; Q105-Q110 HydrophobicContact CB-CB 4.38Å; Q105-Q110 PolarHBondContact N-O 3.39Å; Q105-Q110 PolarHBondContact O-N 3.35Å; Q105-W112 HydrophobicContact CB-CD2 4.5Å; Q105-W112 HydrophobicContact CB-CG 4.41Å; Q105-W112 HydrophobicContact CG-CB 4.29Å; Q105-W112 HydrophobicContact CG-CD2 3.53Å; Q105-W112 HydrophobicContact CG-CE3 4.08Å; Q105-W112 HydrophobicContact CG-CG 3.61Å; Q105-W112 HydrophobicContact CG-CZ2 4.16Å
106	A	95.8	Very high	97.9	Very high	56 Å²	56	48.9 Å²	48.9	46%	0.463	27%	0.27	S	S	.	.	G	3₁₀ helix	trans	-56.3	-42.8	-173.7	0	0	0	0	0	114.6	Y52 N108 K109	Y52-A106 HydrophobicContact CD1-CB 4.48Å; Y52-A106 VanDerWaalsContact CE1-CA 3.47Å; Y52-A106 HydrophobicContact CE1-CB 3.8Å; Y52-A106 PolarHBondContact OH-N 3.07Å; A106-N108 PolarHBondContact O-N 3.02Å; A106-N108 VanDerWaalsContact O-N 3.14Å; A106-K109 PolarHBondContact O-N 2.8Å
107	P	95.2	Very high	97.9	Very high	112 Å²	112	44.9 Å²	44.9	73%	0.727	25%	0.252	S	S	*	.	G	3₁₀ helix	trans	-57.9	-33	178.5	-26.3	36	0	0	0	113.4
108	N	96.4	Very high	98	Very high	86 Å²	86	44.9 Å²	44.9	46%	0.46	25%	0.254	S	S	.	.	G	3₁₀ helix	trans	-97.8	-8	-179.2	-59	-39.7	0	0	0	112.8	Q105 A106 Q110	Q105-N108 CarbonylContact O-C 3.51Å; Q105-N108 PolarHBondContact O-N 3.47Å; Q105-N108 VanDerWaalsContact O-N 3.14Å; A106-N108 PolarHBondContact O-N 3.02Å; A106-N108 VanDerWaalsContact O-N 3.14Å; N108-Q110 VanDerWaalsContact C-N 3.29Å; N108-Q110 HydrophobicContact CB-CB 4.32Å; N108-Q110 HydrophobicContact CB-CG 4.06Å; N108-Q110 WeakPolarHBondContact O-CG 3.34Å; N108-Q110 PolarHBondContact O-N 3.11Å
109	K	97	Very high	98	Very high	56 Å²	56	45 Å²	45	24%	0.243	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	53.6	43.8	-171.8	-51.2	-173	-161	-161.5	0	113	L47 D49 Y52 Q105 A106	L47-K109 HydrophobicContact CB-CD 4.13Å; L47-K109 WeakPolarHBondContact O-CD 3.32Å; L47-K109 WeakPolarHBondContact O-CE 3.47Å; L47-K109 PolarHBondContact O-NZ 2.86Å; D49-K109 WeakPolarHBondContact OD1-CE 3.46Å; D49-K109 IonicContact OD1-NZ 2.75Å; D49-K109 PolarHBondContact OD1-NZ 3.06Å; Y52-K109 VanDerWaalsContact CD2-C 3.5Å; Y52-K109 VanDerWaalsContact CD2-CA 3.41Å; Y52-K109 HydrophobicContact CD2-CB 3.64Å; Y52-K109 HydrophobicContact CD2-CG 4.36Å; Y52-K109 VanDerWaalsContact CE2-CA 3.42Å; Y52-K109 HydrophobicContact CE2-CB 4.19Å; Y52-K109 HydrophobicContact CG-CB 3.91Å; Y52-K109 HydrophobicContact CG-CG 4.13Å; Q105-K109 PolarHBondContact O-N 2.92Å; A106-K109 PolarHBondContact O-N 2.8Å
110	Q	97.9	Very high	98	Very high	23 Å²	23	47.8 Å²	47.8	11%	0.107	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	162.7	-176.4	-72.5	177.4	-19.5	0	0	112.2	Y52 Q105 N108 Y123 D124	Y52-Q110 PolarHBondContact OH-O 3.22Å; Q105-Q110 HydrophobicContact CB-CB 4.38Å; Q105-Q110 PolarHBondContact N-O 3.39Å; Q105-Q110 PolarHBondContact O-N 3.35Å; N108-Q110 VanDerWaalsContact C-N 3.29Å; N108-Q110 HydrophobicContact CB-CB 4.32Å; N108-Q110 HydrophobicContact CB-CG 4.06Å; N108-Q110 WeakPolarHBondContact O-CG 3.34Å; N108-Q110 PolarHBondContact O-N 3.11Å; Q110-Y123 WeakPolarHBondContact CA-O 3.42Å; Q110-Y123 WeakPolarHBondContact CB-O 3.35Å; Q110-Y123 WeakPolarHBondContact CG-O 3.44Å; Q110-D124 PolarHBondContact NE2-OD1 3.27Å
111	L	98.5	Very high	98	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	132.9	155.5	-69.9	-177.5	0	0	0	108.5	T59 L60 R104 Y123 W132 L141	T59-L111 HydrophobicContact CG2-CD1 3.87Å; L60-L111 HydrophobicContact CD2-CD2 4.41Å; L60-L111 HydrophobicContact CG-CD2 4.42Å; R104-L111 HydrophobicContact CG-CD2 3.86Å; L111-Y123 PolarHBondContact N-O 2.83Å; L111-Y123 VanDerWaalsContact N-O 3.17Å; L111-Y123 PolarHBondContact O-N 2.91Å; L111-W132 HydrophobicContact CB-CD2 4.35Å; L111-W132 HydrophobicContact CB-CE3 4.06Å; L111-W132 HydrophobicContact CB-CZ3 4.3Å; L111-W132 HydrophobicContact CD1-CD2 3.63Å; L111-W132 VanDerWaalsContact CD1-CE2 3.48Å; L111-W132 HydrophobicContact CD1-CE3 4.14Å; L111-W132 HydrophobicContact CD1-CG 3.96Å; L111-W132 HydrophobicContact CD1-CH2 4.4Å; L111-W132 HydrophobicContact CD1-CZ2 3.9Å; L111-W132 HydrophobicContact CD1-CZ3 4.49Å; L111-W132 HydrophobicContact CG-CD2 3.88Å; L111-W132 HydrophobicContact CG-CE3 3.85Å; L111-W132 HydrophobicContact CG-CH2 3.89Å; L111-W132 HydrophobicContact CG-CZ2 3.9Å; L111-W132 HydrophobicContact CG-CZ3 3.86Å; L111-L141 HydrophobicContact CD1-CD2 3.82Å
112	W	98.6	Very high	97.9	Very high	65 Å²	65	52.6 Å²	52.6	25%	0.246	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	137.5	173.9	-73.5	19.5	0	0	0	108.7	I102 N103 Q105 K121 R122	I102-W112 CarbonylContact C-O 3.56Å; I102-W112 VanDerWaalsContact CA-O 3.24Å; I102-W112 WeakPolarHBondContact CA-O 3.43Å; N103-W112 PolarHBondContact N-O 2.94Å; N103-W112 PolarHBondContact O-N 3.45Å; N103-W112 VanDerWaalsContact OD1-CB 3.26Å; N103-W112 WeakPolarHBondContact OD1-CB 3.23Å; N103-W112 PolarHBondContact OD1-O 3.34Å; Q105-W112 HydrophobicContact CB-CD2 4.5Å; Q105-W112 HydrophobicContact CB-CG 4.41Å; Q105-W112 HydrophobicContact CG-CB 4.29Å; Q105-W112 HydrophobicContact CG-CD2 3.53Å; Q105-W112 HydrophobicContact CG-CE3 4.08Å; Q105-W112 HydrophobicContact CG-CG 3.61Å; Q105-W112 HydrophobicContact CG-CZ2 4.16Å; W112-K121 CarbonylContact C-O 3.58Å; W112-K121 WeakPolarHBondContact CA-O 3.5Å; W112-R122 HydrophobicContact CD2-CG 4.08Å; W112-R122 HydrophobicContact CG-CG 4.07Å; W112-R122 HydrophobicContact CZ2-CG 4.45Å
113	L	98.9	Very high	97.9	Very high	3 Å²	3	52.7 Å²	52.7	2%	0.016	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	134.2	174.9	171.6	66.5	0	0	0	108	Y100 I101 I102 P120 K121 Y123 L141 L144 L145	Y100-L113 HydrophobicContact CD1-CD1 4.15Å; I101-L113 CarbonylContact O-C 3.47Å; I101-L113 WeakPolarHBondContact O-CA 3.37Å; I102-L113 HydrophobicContact CD1-CD1 4.38Å; I102-L113 HydrophobicContact CG1-CD1 3.76Å; L113-P120 CarbonylContact O-C 3.59Å; L113-P120 WeakPolarHBondContact O-CA 3.14Å; L113-K121 HydrophobicContact CB-CB 4.4Å; L113-K121 PolarHBondContact N-O 2.7Å; L113-K121 PolarHBondContact O-N 3.29Å; L113-Y123 HydrophobicContact CB-CD2 4.39Å; L113-Y123 HydrophobicContact CB-CE2 3.73Å; L113-Y123 HydrophobicContact CD2-CE2 4.05Å; L113-L141 HydrophobicContact CB-CD1 4.41Å; L113-L141 HydrophobicContact CD2-CD1 4.21Å; L113-L144 HydrophobicContact CD2-CD2 3.69Å; L113-L145 HydrophobicContact CD1-CD2 4.34Å
114	S	98.6	Very high	97.9	Very high	55 Å²	55	51.9 Å²	51.9	39%	0.385	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	105.6	158.5	-178.4	0	0	0	0	107.4	Y100 I101	Y100-S114 WeakPolarHBondContact CA-O 2.91Å; I101-S114 PolarHBondContact N-O 2.92Å; I101-S114 PolarHBondContact O-N 3.24Å
115	S	98.5	Very high	97.8	Very high	5 Å²	5	50.2 Å²	50.2	4%	0.035	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	133.7	173.9	164.6	0	0	0	0	109.7	Y100 Q117 S118 G119 E148	Y100-S115 WeakPolarHBondContact CE1-OG 3.14Å; S115-Q117 PolarHBondContact O-N 2.92Å; S115-Q117 PolarHBondContact OG-N 3.08Å; S115-S118 PolarHBondContact OG-N 3.1Å; S115-G119 PolarHBondContact N-O 2.9Å; S115-G119 VanDerWaalsContact O-CA 3.23Å; S115-G119 WeakPolarHBondContact O-CA 3.16Å; S115-G119 PolarHBondContact O-N 2.9Å; S115-E148 PolarHBondContact OG-OE2 3.45Å
116	P	98.3	Very high	97.7	Very high	60 Å²	60	48.9 Å²	48.9	39%	0.39	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-21.2	170.8	29.2	-34.6	0	0	0	112.8	V97 Y100	V97-P116 WeakPolarHBondContact O-CB 3.13Å; V97-P116 WeakPolarHBondContact O-CG 3.5Å; Y100-P116 HydrophobicContact CD2-CG 3.8Å; Y100-P116 VanDerWaalsContact CE2-CD 3.43Å; Y100-P116 HydrophobicContact CE2-CG 3.42Å; Y100-P116 VanDerWaalsContact CE2-CG 3.42Å
117	Q	97.5	Very high	97.5	Very high	101 Å²	101	49.7 Å²	49.7	47%	0.472	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.2	-48.9	-179.6	-66.1	-173.8	-22.6	0	0	112.6	Y100 S115	Y100-Q117 WeakPolarHBondContact OH-CG 3.42Å; Y100-Q117 PolarHBondContact OH-OE1 3.21Å; S115-Q117 PolarHBondContact O-N 2.92Å; S115-Q117 PolarHBondContact OG-N 3.08Å
118	S	98	Very high	97.4	Very high	43 Å²	43	49.2 Å²	49.2	30%	0.301	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.1	1.2	-172.2	71.1	0	0	0	0	114.7	S115 K121 E148	S115-S118 PolarHBondContact OG-N 3.1Å; S118-K121 PolarHBondContact O-NZ 2.94Å; S118-K121 PolarHBondContact OG-NZ 3.07Å; S118-E148 WeakPolarHBondContact CB-OE1 3.43Å; S118-E148 PolarHBondContact OG-OE1 3.18Å
119	G	98.3	Very high	97.3	Very high	23 Å²	23	49.8 Å²	49.8	24%	0.237	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	74	-170.3	179.8	0	0	0	0	0	113.9	S115	S115-G119 PolarHBondContact N-O 2.9Å; S115-G119 VanDerWaalsContact O-CA 3.23Å; S115-G119 WeakPolarHBondContact O-CA 3.16Å; S115-G119 PolarHBondContact O-N 2.9Å
120	P	98.4	Very high	97.2	Very high	109 Å²	109	55.7 Å²	55.7	71%	0.708	30%	0.295	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.3	140.4	-172.7	28.8	-34.8	0	0	0	113	L113	L113-P120 CarbonylContact O-C 3.59Å; L113-P120 WeakPolarHBondContact O-CA 3.14Å
121	K	98.7	Very high	97.1	Very high	21 Å²	21	56.4 Å²	56.4	9%	0.091	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	147.9	177.1	-70.1	173.5	174.8	55.5	0	111.4	W112 L113 S118 Y123 Y134 L144	W112-K121 CarbonylContact C-O 3.58Å; W112-K121 WeakPolarHBondContact CA-O 3.5Å; L113-K121 HydrophobicContact CB-CB 4.4Å; L113-K121 PolarHBondContact N-O 2.7Å; L113-K121 PolarHBondContact O-N 3.29Å; S118-K121 PolarHBondContact O-NZ 2.94Å; S118-K121 PolarHBondContact OG-NZ 3.07Å; K121-Y123 HydrophobicContact CB-CD2 4.33Å; K121-Y123 HydrophobicContact CB-CE2 3.56Å; K121-Y123 WeakPolarHBondContact CD-OH 3.45Å; K121-Y134 HydrophobicContact CB-CD2 4.17Å; K121-Y134 HydrophobicContact CB-CE2 4.21Å; K121-Y134 HydrophobicContact CB-CG 4.38Å; K121-Y134 HydrophobicContact CD-CD1 3.93Å; K121-Y134 HydrophobicContact CD-CE1 4.08Å; K121-Y134 HydrophobicContact CD-CG 4.39Å; K121-Y134 HydrophobicContact CG-CD1 4.07Å; K121-Y134 HydrophobicContact CG-CD2 4.38Å; K121-Y134 HydrophobicContact CG-CE1 3.89Å; K121-Y134 HydrophobicContact CG-CE2 4.19Å; K121-Y134 HydrophobicContact CG-CG 4.34Å; K121-L144 HydrophobicContact CD-CD2 3.57Å
122	R	98.4	Very high	97.1	Very high	139 Å²	139	56.5 Å²	56.5	53%	0.525	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	117.7	179.1	-55.7	-177.5	-177	170.3	1.8	109	W112 Y134	W112-R122 HydrophobicContact CD2-CG 4.08Å; W112-R122 HydrophobicContact CG-CG 4.07Å; W112-R122 HydrophobicContact CZ2-CG 4.45Å; R122-Y134 WeakPolarHBondContact O-CD2 3.39Å
123	Y	98.4	Very high	97.1	Very high	1 Å²	1	54.5 Å²	54.5	0%	0.004	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	129.5	-175.6	-64.8	-95.3	0	0	0	110.8	Q110 L111 L113 K121 W132 I133 L141 L144	Q110-Y123 WeakPolarHBondContact CA-O 3.42Å; Q110-Y123 WeakPolarHBondContact CB-O 3.35Å; Q110-Y123 WeakPolarHBondContact CG-O 3.44Å; L111-Y123 PolarHBondContact N-O 2.83Å; L111-Y123 VanDerWaalsContact N-O 3.17Å; L111-Y123 PolarHBondContact O-N 2.91Å; L113-Y123 HydrophobicContact CB-CD2 4.39Å; L113-Y123 HydrophobicContact CB-CE2 3.73Å; L113-Y123 HydrophobicContact CD2-CE2 4.05Å; K121-Y123 HydrophobicContact CB-CD2 4.33Å; K121-Y123 HydrophobicContact CB-CE2 3.56Å; K121-Y123 WeakPolarHBondContact CD-OH 3.45Å; Y123-W132 HydrophobicContact CD1-CB 4.38Å; Y123-W132 WeakPolarHBondContact CD1-O 3.18Å; Y123-W132 HydrophobicContact CG-CB 4.4Å; Y123-I133 WeakPolarHBondContact CA-O 3.44Å; Y123-L141 HydrophobicContact CD1-CB 3.82Å; Y123-L141 HydrophobicContact CD2-CB 4.45Å; Y123-L141 HydrophobicContact CD2-CD1 4.08Å; Y123-L141 VanDerWaalsContact CE1-CA 3.43Å; Y123-L141 HydrophobicContact CE1-CB 3.81Å; Y123-L141 HydrophobicContact CE1-CD1 4.42Å; Y123-L141 VanDerWaalsContact CE1-N 3.29Å; Y123-L141 HydrophobicContact CE2-CB 4.45Å; Y123-L141 HydrophobicContact CE2-CD1 3.68Å; Y123-L141 HydrophobicContact CG-CB 4.16Å; Y123-L144 WeakPolarHBondContact OH-CD2 3.38Å
124	D	97.5	Very high	97	Very high	12 Å²	12	56.3 Å²	56.3	6%	0.064	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	139.3	169.7	-63	-87.2	0	0	0	109.2	N45 Q110 W132 I133 K135	N45-D124 PolarHBondContact ND2-OD1 3.01Å; Q110-D124 PolarHBondContact NE2-OD1 3.27Å; D124-W132 CarbonylContact O-C 3.57Å; D124-W132 WeakPolarHBondContact O-CA 3.42Å; D124-I133 PolarHBondContact N-O 2.9Å; D124-I133 PolarHBondContact O-N 3.33Å; D124-K135 IonicContact OD1-NZ 3.85Å; D124-K135 PolarHBondContact OD1-NZ 2.66Å; D124-K135 VanDerWaalsContact OD1-NZ 3.07Å; D124-K135 WeakPolarHBondContact OD2-CD 3.35Å; D124-K135 WeakPolarHBondContact OD2-CE 3.14Å; D124-K135 WeakPolarHBondContact OD2-CG 3.42Å; D124-K135 IonicContact OD2-NZ 3.81Å; D124-K135 PolarHBondContact OD2-NZ 2.71Å
125	Y	97.5	Very high	96.8	Very high	29 Å²	29	60.2 Å²	60.2	11%	0.114	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	133.1	175.7	-173.4	-105.1	0	0	0	111	L47 V55 P127 R130 L131 W132	L47-Y125 HydrophobicContact CD1-CD1 3.86Å; L47-Y125 HydrophobicContact CD1-CG 4.2Å; L47-Y125 HydrophobicContact CD2-CD1 3.96Å; L47-Y125 HydrophobicContact CD2-CE1 4.41Å; L47-Y125 HydrophobicContact CG-CD1 4.32Å; V55-Y125 HydrophobicContact CG1-CD1 4.25Å; V55-Y125 HydrophobicContact CG1-CD2 3.71Å; V55-Y125 HydrophobicContact CG1-CE1 3.91Å; V55-Y125 HydrophobicContact CG1-CE2 3.35Å; V55-Y125 HydrophobicContact CG1-CG 4.13Å; V55-Y125 VanDerWaalsContact CG1-CZ 3.43Å; V55-Y125 HydrophobicContact CG2-CE1 4.26Å; Y125-P127 HydrophobicContact CD1-CG 3.98Å; Y125-P127 HydrophobicContact CE1-CB 4.17Å; Y125-P127 HydrophobicContact CE1-CG 4.12Å; Y125-P127 WeakPolarHBondContact O-CD 3.37Å; Y125-R130 VanDerWaalsContact CE2-C 3.42Å; Y125-R130 WeakPolarHBondContact CE2-O 3.27Å; Y125-R130 WeakPolarHBondContact OH-CA 3.5Å; Y125-L131 WeakPolarHBondContact CA-O 3.25Å; Y125-W132 AromaticContact CD2-CD2 3.86Å; Y125-W132 HydrophobicContact CD2-CD2 3.86Å; Y125-W132 AromaticContact CD2-CE2 3.65Å; Y125-W132 HydrophobicContact CD2-CE3 4.44Å; Y125-W132 HydrophobicContact CD2-CG 4.11Å; Y125-W132 HydrophobicContact CD2-CZ2 4.05Å; Y125-W132 AromaticContact CD2-NE1 3.77Å; Y125-W132 HydrophobicContact CG-CD2 4.41Å; Y125-W132 HydrophobicContact CG-CH2 4.49Å; Y125-W132 HydrophobicContact CG-CZ2 4.33Å
126	I	94.8	Very high	96.7	Very high	28 Å²	28	67.4 Å²	67.4	14%	0.144	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	99.9	177.2	-53.4	-58.1	0	0	0	108.4	S128 M129 R130 L131 I133	I126-S128 VanDerWaalsContact C-N 3.28Å; I126-S128 WeakPolarHBondContact CG2-OG 3.48Å; I126-S128 PolarHBondContact O-N 3.44Å; I126-M129 HydrophobicContact CB-CB 4.41Å; I126-M129 HydrophobicContact CG2-CB 4.2Å; I126-M129 HydrophobicContact CG2-CG 4.05Å; I126-M129 HydrophobicContact CG2-SD 4.1Å; I126-M129 PolarHBondContact O-N 3.43Å; I126-M129 VanDerWaalsContact O-N 3.07Å; I126-R130 PolarHBondContact O-N 3.35Å; I126-L131 PolarHBondContact N-O 3.37Å; I126-L131 PolarHBondContact O-N 3.06Å; I126-I133 HydrophobicContact CB-CG1 4.44Å; I126-I133 HydrophobicContact CG1-CB 4.05Å; I126-I133 HydrophobicContact CG1-CG1 3.67Å
127	P	92.8	Very high	96.6	Very high	73 Å²	73	69 Å²	69	47%	0.474	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-34.1	-172.3	-27.3	34.9	0	0	0	115	L47 Y125 M129 R130	L47-P127 HydrophobicContact CD2-CG 3.98Å; Y125-P127 HydrophobicContact CD1-CG 3.98Å; Y125-P127 HydrophobicContact CE1-CB 4.17Å; Y125-P127 HydrophobicContact CE1-CG 4.12Å; Y125-P127 WeakPolarHBondContact O-CD 3.37Å; P127-M129 VanDerWaalsContact C-N 3.3Å; P127-M129 PolarHBondContact O-N 2.95Å; P127-R130 PolarHBondContact O-N 2.69Å
128	S	93.1	Very high	96.5	Very high	102 Å²	102	65.7 Å²	65.7	71%	0.713	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.3	-31.5	179.1	55	0	0	0	0	113.1	I126	I126-S128 VanDerWaalsContact C-N 3.28Å; I126-S128 WeakPolarHBondContact CG2-OG 3.48Å; I126-S128 PolarHBondContact O-N 3.44Å
129	M	93	Very high	96.5	Very high	97 Å²	97	65.7 Å²	65.7	48%	0.478	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.9	-14.8	178.4	-63	175.8	64.5	0	0	112.2	I126 P127 L131	I126-M129 HydrophobicContact CB-CB 4.41Å; I126-M129 HydrophobicContact CG2-CB 4.2Å; I126-M129 HydrophobicContact CG2-CG 4.05Å; I126-M129 HydrophobicContact CG2-SD 4.1Å; I126-M129 PolarHBondContact O-N 3.43Å; I126-M129 VanDerWaalsContact O-N 3.07Å; P127-M129 VanDerWaalsContact C-N 3.3Å; P127-M129 PolarHBondContact O-N 2.95Å; M129-L131 HydrophobicContact CB-CB 4.26Å; M129-L131 HydrophobicContact CB-CD1 4.29Å; M129-L131 HydrophobicContact CB-CG 4.35Å; M129-L131 HydrophobicContact CE-CD1 4.04Å; M129-L131 PolarHBondContact O-N 3.16Å
130	R	95.1	Very high	96.5	Very high	181 Å²	181	65.3 Å²	65.3	68%	0.683	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.6	26	-168.9	-56.6	-177.5	177.9	-178.6	-0.6	113.9	Y125 I126 P127 T161	Y125-R130 VanDerWaalsContact CE2-C 3.42Å; Y125-R130 WeakPolarHBondContact CE2-O 3.27Å; Y125-R130 WeakPolarHBondContact OH-CA 3.5Å; I126-R130 PolarHBondContact O-N 3.35Å; P127-R130 PolarHBondContact O-N 2.69Å; R130-T161 HydrophobicContact CB-CG2 4.34Å; R130-T161 WeakPolarHBondContact O-CG2 3.39Å
131	L	96.9	Very high	96.5	Very high	38 Å²	38	60.1 Å²	60.1	20%	0.199	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	146.3	-174.4	-70.4	171.9	0	0	0	112.2	Y125 I126 M129 I133 T161	Y125-L131 WeakPolarHBondContact CA-O 3.25Å; I126-L131 PolarHBondContact N-O 3.37Å; I126-L131 PolarHBondContact O-N 3.06Å; M129-L131 HydrophobicContact CB-CB 4.26Å; M129-L131 HydrophobicContact CB-CD1 4.29Å; M129-L131 HydrophobicContact CB-CG 4.35Å; M129-L131 HydrophobicContact CE-CD1 4.04Å; M129-L131 PolarHBondContact O-N 3.16Å; L131-I133 HydrophobicContact CB-CD1 3.69Å; L131-I133 HydrophobicContact CB-CG1 4.15Å; L131-I133 HydrophobicContact CD1-CD1 4.32Å; L131-T161 HydrophobicContact CD2-CG2 3.91Å; L131-T161 VanDerWaalsContact CD2-OG1 3.31Å; L131-T161 WeakPolarHBondContact CD2-OG1 3.35Å
132	W	98	Very high	96.5	Very high	1 Å²	1	59.4 Å²	59.4	0%	0.004	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	113.1	165	-67.1	99.3	0	0	0	108.7	Y52 V55 T59 L111 Y123 D124 Y125 S140 L141	Y52-W132 HydrophobicContact CD2-CH2 4.02Å; Y52-W132 AromaticContact CE2-CH2 3.84Å; Y52-W132 HydrophobicContact CE2-CH2 3.84Å; Y52-W132 HydrophobicContact CE2-CZ3 4.41Å; V55-W132 HydrophobicContact CG1-CZ2 3.9Å; T59-W132 PolarHBondContact OG1-NE1 2.98Å; L111-W132 HydrophobicContact CB-CD2 4.35Å; L111-W132 HydrophobicContact CB-CE3 4.06Å; L111-W132 HydrophobicContact CB-CZ3 4.3Å; L111-W132 HydrophobicContact CD1-CD2 3.63Å; L111-W132 VanDerWaalsContact CD1-CE2 3.48Å; L111-W132 HydrophobicContact CD1-CE3 4.14Å; L111-W132 HydrophobicContact CD1-CG 3.96Å; L111-W132 HydrophobicContact CD1-CH2 4.4Å; L111-W132 HydrophobicContact CD1-CZ2 3.9Å; L111-W132 HydrophobicContact CD1-CZ3 4.49Å; L111-W132 HydrophobicContact CG-CD2 3.88Å; L111-W132 HydrophobicContact CG-CE3 3.85Å; L111-W132 HydrophobicContact CG-CH2 3.89Å; L111-W132 HydrophobicContact CG-CZ2 3.9Å; L111-W132 HydrophobicContact CG-CZ3 3.86Å; Y123-W132 HydrophobicContact CD1-CB 4.38Å; Y123-W132 WeakPolarHBondContact CD1-O 3.18Å; Y123-W132 HydrophobicContact CG-CB 4.4Å; D124-W132 CarbonylContact O-C 3.57Å; D124-W132 WeakPolarHBondContact O-CA 3.42Å; Y125-W132 AromaticContact CD2-CD2 3.86Å; Y125-W132 HydrophobicContact CD2-CD2 3.86Å; Y125-W132 AromaticContact CD2-CE2 3.65Å; Y125-W132 HydrophobicContact CD2-CE3 4.44Å; Y125-W132 HydrophobicContact CD2-CG 4.11Å; Y125-W132 HydrophobicContact CD2-CZ2 4.05Å; Y125-W132 AromaticContact CD2-NE1 3.77Å; Y125-W132 HydrophobicContact CG-CD2 4.41Å; Y125-W132 HydrophobicContact CG-CH2 4.49Å; Y125-W132 HydrophobicContact CG-CZ2 4.33Å; W132-S140 CarbonylContact O-C 3.46Å; W132-S140 WeakPolarHBondContact O-CA 3.16Å; W132-L141 HydrophobicContact CB-CB 3.85Å; W132-L141 HydrophobicContact CB-CD2 4.43Å; W132-L141 PolarHBondContact O-N 3.21Å
133	I	97.8	Very high	96.5	Very high	23 Å²	23	55.4 Å²	55.4	12%	0.118	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	132.9	-172.2	-58.7	-58.8	0	0	0	110.9	Y123 D124 I126 L131	Y123-I133 WeakPolarHBondContact CA-O 3.44Å; D124-I133 PolarHBondContact N-O 2.9Å; D124-I133 PolarHBondContact O-N 3.33Å; I126-I133 HydrophobicContact CB-CG1 4.44Å; I126-I133 HydrophobicContact CG1-CB 4.05Å; I126-I133 HydrophobicContact CG1-CG1 3.67Å; L131-I133 HydrophobicContact CB-CD1 3.69Å; L131-I133 HydrophobicContact CB-CG1 4.15Å; L131-I133 HydrophobicContact CD1-CD1 4.32Å
134	Y	97.9	Very high	96.5	Very high	41 Å²	41	55.8 Å²	55.8	16%	0.161	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	118.2	170.3	-177.9	-141.2	0	0	0	109.6	K121 R122 H136 D137 G138 K139	K121-Y134 HydrophobicContact CB-CD2 4.17Å; K121-Y134 HydrophobicContact CB-CE2 4.21Å; K121-Y134 HydrophobicContact CB-CG 4.38Å; K121-Y134 HydrophobicContact CD-CD1 3.93Å; K121-Y134 HydrophobicContact CD-CE1 4.08Å; K121-Y134 HydrophobicContact CD-CG 4.39Å; K121-Y134 HydrophobicContact CG-CD1 4.07Å; K121-Y134 HydrophobicContact CG-CD2 4.38Å; K121-Y134 HydrophobicContact CG-CE1 3.89Å; K121-Y134 HydrophobicContact CG-CE2 4.19Å; K121-Y134 HydrophobicContact CG-CG 4.34Å; R122-Y134 WeakPolarHBondContact O-CD2 3.39Å; Y134-H136 HydrophobicContact CD1-CB 4.23Å; Y134-H136 HydrophobicContact CE1-CB 3.65Å; Y134-H136 HydrophobicContact CE2-CB 4.15Å; Y134-H136 AromaticContact CE2-CD2 3.3Å; Y134-H136 WeakPolarHBondContact CE2-CD2 3.37Å; Y134-H136 AromaticContact CZ-CD2 3.39Å; Y134-H136 AromaticContact CZ-CG 3.71Å; Y134-H136 PolarHBondContact O-N 3.4Å; Y134-H136 VanDerWaalsContact O-N 3.14Å; Y134-H136 PolarHBondContact OH-CD2 3.4Å; Y134-H136 VanDerWaalsContact OH-CD2 3.28Å; Y134-D137 VanDerWaalsContact CD1-OD1 3.25Å; Y134-D137 WeakPolarHBondContact CD1-OD1 3.22Å; Y134-G138 VanDerWaalsContact O-CA 3.29Å; Y134-G138 WeakPolarHBondContact O-CA 3.35Å; Y134-G138 PolarHBondContact O-N 3.03Å; Y134-K139 PolarHBondContact N-O 3.43Å
135	K	95	Very high	96.5	Very high	138 Å²	138	55.2 Å²	55.2	60%	0.6	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-26.9	-173	-78.8	176.9	170.5	142.2	0	114.9	D124	D124-K135 IonicContact OD1-NZ 3.85Å; D124-K135 PolarHBondContact OD1-NZ 2.66Å; D124-K135 VanDerWaalsContact OD1-NZ 3.07Å; D124-K135 WeakPolarHBondContact OD2-CD 3.35Å; D124-K135 WeakPolarHBondContact OD2-CE 3.14Å; D124-K135 WeakPolarHBondContact OD2-CG 3.42Å; D124-K135 IonicContact OD2-NZ 3.81Å; D124-K135 PolarHBondContact OD2-NZ 2.71Å
136	H	95.9	Very high	96.6	Very high	156 Å²	156	54.2 Å²	54.2	72%	0.722	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.4	-35.7	-172	-71.4	-92.6	0	0	0	113.5	Y134	Y134-H136 HydrophobicContact CD1-CB 4.23Å; Y134-H136 HydrophobicContact CE1-CB 3.65Å; Y134-H136 HydrophobicContact CE2-CB 4.15Å; Y134-H136 AromaticContact CE2-CD2 3.3Å; Y134-H136 WeakPolarHBondContact CE2-CD2 3.37Å; Y134-H136 AromaticContact CZ-CD2 3.39Å; Y134-H136 AromaticContact CZ-CG 3.71Å; Y134-H136 PolarHBondContact O-N 3.4Å; Y134-H136 VanDerWaalsContact O-N 3.14Å; Y134-H136 PolarHBondContact OH-CD2 3.4Å; Y134-H136 VanDerWaalsContact OH-CD2 3.28Å
137	D	95.8	Very high	96.7	Very high	93 Å²	93	58.6 Å²	58.6	50%	0.497	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-121.7	-7.6	-178.8	61.5	13.8	0	0	0	113.6	Y134 K139	Y134-D137 VanDerWaalsContact CD1-OD1 3.25Å; Y134-D137 WeakPolarHBondContact CD1-OD1 3.22Å; D137-K139 PolarHBondContact O-N 2.92Å; D137-K139 VanDerWaalsContact OD1-CB 3.28Å; D137-K139 WeakPolarHBondContact OD1-CB 3.45Å; D137-K139 PolarHBondContact OD1-N 2.85Å
138	G	96.1	Very high	97	Very high	32 Å²	32	55.6 Å²	55.6	33%	0.33	28%	0.282	S	S	.	.			trans	75.3	5	-178.1	0	0	0	0	0	114.2	Y134	Y134-G138 VanDerWaalsContact O-CA 3.29Å; Y134-G138 WeakPolarHBondContact O-CA 3.35Å; Y134-G138 PolarHBondContact O-N 3.03Å
139	K	97.2	Very high	97.3	Very high	42 Å²	42	50.7 Å²	50.7	18%	0.183	25%	0.248	C	C	.	.			trans	-75.8	140.4	-178.4	-161.4	172.8	-173.4	-178.4	0	110.5	Y134 D137 L144 E147	Y134-K139 PolarHBondContact N-O 3.43Å; D137-K139 PolarHBondContact O-N 2.92Å; D137-K139 VanDerWaalsContact OD1-CB 3.28Å; D137-K139 WeakPolarHBondContact OD1-CB 3.45Å; D137-K139 PolarHBondContact OD1-N 2.85Å; K139-L144 HydrophobicContact CD-CB 4.07Å; K139-L144 HydrophobicContact CD-CD1 3.97Å; K139-L144 HydrophobicContact CG-CB 4.42Å; K139-E147 IonicContact NZ-OE1 3.07Å; K139-E147 PolarHBondContact NZ-OE1 3.41Å; K139-E147 IonicContact NZ-OE2 2.7Å; K139-E147 PolarHBondContact NZ-OE2 2.86Å
140	S	98	Very high	97.5	Very high	16 Å²	16	47.4 Å²	47.4	11%	0.112	23%	0.234	C	C	.	.	B	Isolated β-bridge	trans	-79.7	154.8	176	75	0	0	0	0	111.8	W132 H142 S143 L144	W132-S140 CarbonylContact O-C 3.46Å; W132-S140 WeakPolarHBondContact O-CA 3.16Å; S140-H142 PolarHBondContact O-N 3.33Å; S140-S143 PolarHBondContact O-N 2.93Å; S140-S143 WeakPolarHBondContact OG-CB 3.2Å; S140-S143 PolarHBondContact OG-N 3.22Å; S140-L144 PolarHBondContact O-N 3.3Å
141	L	98.6	Very high	97.6	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-54.7	-52.8	174	176.8	62.4	0	0	0	110.6	L63 I102 L111 L113 Y123 W132 S143 L144 L145	L63-L141 HydrophobicContact CD1-CD2 4.15Å; I102-L141 HydrophobicContact CD1-CD1 4.49Å; I102-L141 HydrophobicContact CG2-CD2 4.37Å; L111-L141 HydrophobicContact CD1-CD2 3.82Å; L113-L141 HydrophobicContact CB-CD1 4.41Å; L113-L141 HydrophobicContact CD2-CD1 4.21Å; Y123-L141 HydrophobicContact CD1-CB 3.82Å; Y123-L141 HydrophobicContact CD2-CB 4.45Å; Y123-L141 HydrophobicContact CD2-CD1 4.08Å; Y123-L141 VanDerWaalsContact CE1-CA 3.43Å; Y123-L141 HydrophobicContact CE1-CB 3.81Å; Y123-L141 HydrophobicContact CE1-CD1 4.42Å; Y123-L141 VanDerWaalsContact CE1-N 3.29Å; Y123-L141 HydrophobicContact CE2-CB 4.45Å; Y123-L141 HydrophobicContact CE2-CD1 3.68Å; Y123-L141 HydrophobicContact CG-CB 4.16Å; W132-L141 HydrophobicContact CB-CB 3.85Å; W132-L141 HydrophobicContact CB-CD2 4.43Å; W132-L141 PolarHBondContact O-N 3.21Å; L141-S143 PolarHBondContact O-N 2.96Å; L141-L144 PolarHBondContact O-N 2.84Å; L141-L145 HydrophobicContact CD1-CD1 3.92Å; L141-L145 HydrophobicContact CD1-CG 4.2Å; L141-L145 HydrophobicContact CG-CD1 3.99Å; L141-L145 WeakPolarHBondContact O-CG 3.5Å; L141-L145 PolarHBondContact O-N 3.01Å
142	H	98.4	Very high	97.7	Very high	6 Å²	6	42.6 Å²	42.6	3%	0.028	23%	0.233	C	C	.	.	H	α-helix	trans	-58.7	-44.6	179.4	-61.1	103.8	0	0	0	112.1	S140 L144 L145 S146 F159 Q160 T161	S140-H142 PolarHBondContact O-N 3.33Å; H142-L144 PolarHBondContact O-N 3.32Å; H142-L145 PolarHBondContact O-N 3.02Å; H142-S146 WeakPolarHBondContact O-CB 3.49Å; H142-S146 PolarHBondContact O-N 2.91Å; H142-S146 PolarHBondContact O-OG 3.48Å; H142-S146 VanDerWaalsContact O-OG 3.11Å; H142-F159 HydrophobicContact CB-CB 4.36Å; H142-Q160 PolarHBondContact CD2-O 3Å; H142-Q160 PolarHBondContact NE2-O 3.37Å; H142-T161 PolarHBondContact ND1-OG1 2.88Å
143	S	97.9	Very high	97.6	Very high	54 Å²	54	43.7 Å²	43.7	38%	0.378	24%	0.239	S	C	.	.	H	α-helix	trans	-65.5	-39.6	179.4	173.4	0	0	0	0	112.6	S140 L141 E147	S140-S143 PolarHBondContact O-N 2.93Å; S140-S143 WeakPolarHBondContact OG-CB 3.2Å; S140-S143 PolarHBondContact OG-N 3.22Å; L141-S143 PolarHBondContact O-N 2.96Å; S143-E147 PolarHBondContact O-N 3.01Å
144	L	98.5	Very high	97.5	Very high	9 Å²	9	46.1 Å²	46.1	5%	0.047	27%	0.27	C	S	.	.	H	α-helix	trans	-64.1	-47.1	175.1	-178.4	68.3	0	0	0	111.1	L113 K121 Y123 K139 S140 L141 H142 E147 E148	L113-L144 HydrophobicContact CD2-CD2 3.69Å; K121-L144 HydrophobicContact CD-CD2 3.57Å; Y123-L144 WeakPolarHBondContact OH-CD2 3.38Å; K139-L144 HydrophobicContact CD-CB 4.07Å; K139-L144 HydrophobicContact CD-CD1 3.97Å; K139-L144 HydrophobicContact CG-CB 4.42Å; S140-L144 PolarHBondContact O-N 3.3Å; L141-L144 PolarHBondContact O-N 2.84Å; H142-L144 PolarHBondContact O-N 3.32Å; L144-E147 PolarHBondContact O-N 3.33Å; L144-E148 HydrophobicContact CD1-CG 4.11Å; L144-E148 WeakPolarHBondContact CD1-OE1 3.43Å; L144-E148 HydrophobicContact CG-CG 4.34Å; L144-E148 PolarHBondContact O-N 2.96Å
145	L	98.7	Very high	97.5	Very high	0 Å²	0	45 Å²	45	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-62.7	-44.3	178.4	-67.2	174.1	0	0	0	111.4	L63 Y100 I102 L113 L141 H142 E147 E148 I149 F159	L63-L145 HydrophobicContact CD1-CD1 4.27Å; L63-L145 HydrophobicContact CD2-CD1 4Å; Y100-L145 HydrophobicContact CD1-CD2 4.22Å; Y100-L145 HydrophobicContact CE1-CD2 4.38Å; I102-L145 HydrophobicContact CD1-CD1 3.76Å; L113-L145 HydrophobicContact CD1-CD2 4.34Å; L141-L145 HydrophobicContact CD1-CD1 3.92Å; L141-L145 HydrophobicContact CD1-CG 4.2Å; L141-L145 HydrophobicContact CG-CD1 3.99Å; L141-L145 WeakPolarHBondContact O-CG 3.5Å; L141-L145 PolarHBondContact O-N 3.01Å; H142-L145 PolarHBondContact O-N 3.02Å; L145-E147 VanDerWaalsContact C-N 3.27Å; L145-E147 PolarHBondContact O-N 3.25Å; L145-E148 PolarHBondContact O-N 3.04Å; L145-I149 VanDerWaalsContact O-CB 3.22Å; L145-I149 WeakPolarHBondContact O-CB 3.37Å; L145-I149 WeakPolarHBondContact O-CG1 3.29Å; L145-I149 PolarHBondContact O-N 3.33Å; L145-F159 HydrophobicContact CB-CD2 3.77Å; L145-F159 HydrophobicContact CB-CE2 3.89Å
146	S	98.5	Very high	97.6	Very high	8 Å²	8	43.4 Å²	43.4	6%	0.056	28%	0.275	C	S	.	.	H	α-helix	trans	-54.2	-45.6	175.9	-69	0	0	0	0	111.1	H142 S150 V157 E158 F159	H142-S146 WeakPolarHBondContact O-CB 3.49Å; H142-S146 PolarHBondContact O-N 2.91Å; H142-S146 PolarHBondContact O-OG 3.48Å; H142-S146 VanDerWaalsContact O-OG 3.11Å; S146-S150 WeakPolarHBondContact O-CB 2.88Å; S146-S150 PolarHBondContact O-N 3.45Å; S146-S150 PolarHBondContact O-OG 3.34Å; S146-V157 WeakPolarHBondContact CA-O 3.4Å; S146-V157 VanDerWaalsContact CB-O 3.23Å; S146-V157 WeakPolarHBondContact CB-O 3.31Å; S146-V157 PolarHBondContact OG-O 2.7Å; S146-E158 WeakPolarHBondContact OG-CA 3.27Å; S146-E158 PolarHBondContact OG-OE2 3.07Å; S146-F159 PolarHBondContact OG-N 3.18Å; S146-F159 VanDerWaalsContact OG-N 3.1Å
147	E	98.3	Very high	97.7	Very high	120 Å²	120	36.2 Å²	36.2	56%	0.561	24%	0.242	S	C	*	.	H	α-helix	trans	-66.9	-53.6	179.5	-176.8	-179.1	125.2	0	0	112.7	K139 S143 L144 L145 S150 A151	K139-E147 IonicContact NZ-OE1 3.07Å; K139-E147 PolarHBondContact NZ-OE1 3.41Å; K139-E147 IonicContact NZ-OE2 2.7Å; K139-E147 PolarHBondContact NZ-OE2 2.86Å; S143-E147 PolarHBondContact O-N 3.01Å; L144-E147 PolarHBondContact O-N 3.33Å; L145-E147 VanDerWaalsContact C-N 3.27Å; L145-E147 PolarHBondContact O-N 3.25Å; E147-S150 PolarHBondContact O-N 3.44Å; E147-A151 PolarHBondContact O-N 2.96Å; E147-A151 VanDerWaalsContact O-N 3.1Å
148	E	98.6	Very high	97.7	Very high	10 Å²	10	38.9 Å²	38.9	5%	0.047	25%	0.251	C	S	.	.	H	α-helix	trans	-63.3	-46.2	-176.6	-73.7	-168.6	-166.6	0	0	111.3	Y100 S115 S118 L144 L145 A151 I152	Y100-E148 WeakPolarHBondContact CE1-OE2 3.46Å; Y100-E148 PolarHBondContact OH-OE2 3.14Å; S115-E148 PolarHBondContact OG-OE2 3.45Å; S118-E148 WeakPolarHBondContact CB-OE1 3.43Å; S118-E148 PolarHBondContact OG-OE1 3.18Å; L144-E148 HydrophobicContact CD1-CG 4.11Å; L144-E148 WeakPolarHBondContact CD1-OE1 3.43Å; L144-E148 HydrophobicContact CG-CG 4.34Å; L144-E148 PolarHBondContact O-N 2.96Å; L145-E148 PolarHBondContact O-N 3.04Å; E148-A151 WeakPolarHBondContact O-CB 3.31Å; E148-A151 PolarHBondContact O-N 2.82Å; E148-I152 WeakPolarHBondContact O-CD1 3.41Å; E148-I152 WeakPolarHBondContact O-CG1 3.23Å; E148-I152 PolarHBondContact O-N 3.29Å
149	I	98.5	Very high	97.7	Very high	0 Å²	0	38 Å²	38	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-70.7	-37.8	-178.7	-56.7	-47.3	0	0	0	111	F67 L70 F93 Y100 L145 A151 I152 V153 V157 F159	F67-I149 HydrophobicContact CE1-CD1 4.14Å; F67-I149 HydrophobicContact CE1-CG1 3.92Å; F67-I149 HydrophobicContact CZ-CG1 4.18Å; L70-I149 HydrophobicContact CD2-CG2 3.83Å; F93-I149 HydrophobicContact CE2-CD1 3.66Å; F93-I149 HydrophobicContact CZ-CD1 3.6Å; F93-I149 HydrophobicContact CZ-CG1 4.44Å; F93-I149 HydrophobicContact CZ-CG2 4.1Å; Y100-I149 HydrophobicContact CE1-CD1 4.42Å; Y100-I149 HydrophobicContact CE2-CD1 4.18Å; L145-I149 VanDerWaalsContact O-CB 3.22Å; L145-I149 WeakPolarHBondContact O-CB 3.37Å; L145-I149 WeakPolarHBondContact O-CG1 3.29Å; L145-I149 PolarHBondContact O-N 3.33Å; I149-A151 VanDerWaalsContact C-N 3.26Å; I149-A151 PolarHBondContact O-N 3.04Å; I149-I152 HydrophobicContact CD1-CD1 3.85Å; I149-I152 PolarHBondContact O-N 3.45Å; I149-I152 VanDerWaalsContact O-N 3.13Å; I149-V153 HydrophobicContact CG2-CG1 4.08Å; I149-V153 WeakPolarHBondContact O-CG2 3.34Å; I149-V153 PolarHBondContact O-N 2.68Å; I149-V157 HydrophobicContact CG2-CB 4.44Å; I149-V157 HydrophobicContact CG2-CG1 4.24Å; I149-V157 HydrophobicContact CG2-CG2 4.24Å; I149-F159 HydrophobicContact CB-CE2 3.99Å; I149-F159 HydrophobicContact CB-CZ 4.33Å; I149-F159 HydrophobicContact CG1-CE2 3.87Å; I149-F159 HydrophobicContact CG1-CZ 4.1Å; I149-F159 HydrophobicContact CG2-CE2 4.37Å; I149-F159 HydrophobicContact CG2-CZ 4.29Å
150	S	98.3	Very high	97.2	Very high	27 Å²	27	43.5 Å²	43.5	19%	0.189	26%	0.264	C	S	.	.	H	α-helix	trans	-59	-40	173.7	-65.6	0	0	0	0	112	S146 E147 G154 G155 V157	S146-S150 WeakPolarHBondContact O-CB 2.88Å; S146-S150 PolarHBondContact O-N 3.45Å; S146-S150 PolarHBondContact O-OG 3.34Å; E147-S150 PolarHBondContact O-N 3.44Å; S150-G154 PolarHBondContact O-N 3.18Å; S150-G155 WeakPolarHBondContact CA-O 3.34Å; S150-G155 VanDerWaalsContact CB-O 3.23Å; S150-G155 WeakPolarHBondContact CB-O 3.16Å; S150-G155 PolarHBondContact O-N 2.9Å; S150-G155 PolarHBondContact OG-O 3.17Å; S150-V157 PolarHBondContact OG-N 2.85Å; S150-V157 PolarHBondContact OG-O 3.44Å
151	A	97.8	Very high	96.4	Very high	78 Å²	78	46.9 Å²	46.9	65%	0.645	29%	0.285	S	S	*	.	H	α-helix	trans	-66.7	-36.8	176.5	0	0	0	0	0	112.2	E147 E148 I149	E147-A151 PolarHBondContact O-N 2.96Å; E147-A151 VanDerWaalsContact O-N 3.1Å; E148-A151 WeakPolarHBondContact O-CB 3.31Å; E148-A151 PolarHBondContact O-N 2.82Å; I149-A151 VanDerWaalsContact C-N 3.26Å; I149-A151 PolarHBondContact O-N 3.04Å
152	I	97.3	Very high	96.3	Very high	41 Å²	41	49.2 Å²	49.2	21%	0.21	30%	0.299	C	S	.	.	H	α-helix	trans	-68.1	-48.1	177.3	-70.5	158.9	0	0	0	111.5	F93 V97 Y100 E148 I149 G154	F93-I152 HydrophobicContact CD1-CG2 3.8Å; F93-I152 HydrophobicContact CE1-CG2 4.07Å; F93-I152 HydrophobicContact CG-CG2 4.42Å; V97-I152 HydrophobicContact CG1-CD1 3.54Å; V97-I152 HydrophobicContact CG1-CG1 3.92Å; V97-I152 HydrophobicContact CG1-CG2 4.2Å; V97-I152 HydrophobicContact CG2-CG1 4.5Å; V97-I152 HydrophobicContact CG2-CG2 3.92Å; Y100-I152 HydrophobicContact CE2-CD1 3.91Å; E148-I152 WeakPolarHBondContact O-CD1 3.41Å; E148-I152 WeakPolarHBondContact O-CG1 3.23Å; E148-I152 PolarHBondContact O-N 3.29Å; I149-I152 HydrophobicContact CD1-CD1 3.85Å; I149-I152 PolarHBondContact O-N 3.45Å; I149-I152 VanDerWaalsContact O-N 3.13Å; I152-G154 VanDerWaalsContact C-N 3.34Å
153	V	96.9	Very high	96.2	Very high	24 Å²	24	51.5 Å²	51.5	15%	0.145	31%	0.313	C	S	.	.	H	α-helix	trans	-86.3	-7.1	-173.6	-51.1	0	0	0	0	113.6	L70 F74 L76 F93 I149 V157	L70-V153 HydrophobicContact CD2-CG1 4.05Å; L70-V153 HydrophobicContact CG-CG1 4.47Å; F74-V153 HydrophobicContact CB-CB 4.01Å; F74-V153 HydrophobicContact CB-CG1 4.45Å; F74-V153 HydrophobicContact CD1-CB 3.92Å; F74-V153 HydrophobicContact CD1-CG2 3.63Å; F74-V153 HydrophobicContact CD2-CB 4.33Å; F74-V153 HydrophobicContact CD2-CG2 4.02Å; F74-V153 HydrophobicContact CE1-CG2 3.72Å; F74-V153 HydrophobicContact CE2-CG2 4.1Å; F74-V153 HydrophobicContact CG-CB 3.82Å; F74-V153 HydrophobicContact CG-CG1 4.45Å; F74-V153 HydrophobicContact CG-CG2 3.79Å; F74-V153 HydrophobicContact CZ-CG2 3.95Å; L76-V153 HydrophobicContact CD2-CB 4.34Å; L76-V153 HydrophobicContact CD2-CG1 3.63Å; F93-V153 HydrophobicContact CE1-CG1 4.41Å; I149-V153 HydrophobicContact CG2-CG1 4.08Å; I149-V153 WeakPolarHBondContact O-CG2 3.34Å; I149-V153 PolarHBondContact O-N 2.68Å; V153-V157 HydrophobicContact CG2-CG2 3.56Å
154	G	96.4	Very high	96.1	Very high	73 Å²	73	51.3 Å²	51.3	75%	0.753	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.7	24.4	178.3	0	0	0	0	0	114.4	S150 I152	S150-G154 PolarHBondContact O-N 3.18Å; I152-G154 VanDerWaalsContact C-N 3.34Å
155	G	96.8	Very high	96	Very high	18 Å²	18	53.8 Å²	53.8	19%	0.186	33%	0.325	C	S	.	.	S	Bend	trans	-163.7	168.5	-179.8	0	0	0	0	0	113	S150 V157	S150-G155 WeakPolarHBondContact CA-O 3.34Å; S150-G155 VanDerWaalsContact CB-O 3.23Å; S150-G155 WeakPolarHBondContact CB-O 3.16Å; S150-G155 PolarHBondContact O-N 2.9Å; S150-G155 PolarHBondContact OG-O 3.17Å; G155-V157 PolarHBondContact O-N 2.95Å
156	P	97.3	Very high	95.8	Very high	105 Å²	105	57.2 Å²	57.2	68%	0.682	35%	0.345	S	S	*	.			trans	-71.4	122	-172.6	28.2	-34.2	0	0	0	112.3	R73	R73-P156 PolarHBondContact NH2-O 3.27Å
157	V	97.5	Very high	95.6	Very high	5 Å²	5	60.5 Å²	60.5	3%	0.03	37%	0.365	C	S	.	.			trans	-121.5	127.3	173.4	-177.8	0	0	0	0	108.5	L70 F74 S146 I149 S150 V153 G155 F159	L70-V157 HydrophobicContact CD1-CG1 4.15Å; L70-V157 HydrophobicContact CD1-CG2 3.97Å; F74-V157 HydrophobicContact CD2-CG2 4.47Å; F74-V157 HydrophobicContact CE2-CG2 3.64Å; F74-V157 HydrophobicContact CZ-CG2 3.76Å; S146-V157 WeakPolarHBondContact CA-O 3.4Å; S146-V157 VanDerWaalsContact CB-O 3.23Å; S146-V157 WeakPolarHBondContact CB-O 3.31Å; S146-V157 PolarHBondContact OG-O 2.7Å; I149-V157 HydrophobicContact CG2-CB 4.44Å; I149-V157 HydrophobicContact CG2-CG1 4.24Å; I149-V157 HydrophobicContact CG2-CG2 4.24Å; S150-V157 PolarHBondContact OG-N 2.85Å; S150-V157 PolarHBondContact OG-O 3.44Å; V153-V157 HydrophobicContact CG2-CG2 3.56Å; G155-V157 PolarHBondContact O-N 2.95Å; V157-F159 HydrophobicContact CG1-CD2 4.15Å; V157-F159 HydrophobicContact CG1-CE1 4.46Å; V157-F159 HydrophobicContact CG1-CE2 3.58Å; V157-F159 HydrophobicContact CG1-CZ 3.76Å
158	E	96.7	Very high	95.4	Very high	148 Å²	148	56.2 Å²	56.2	69%	0.692	35%	0.35	S	S	*	.			trans	-124.5	114.2	178.4	-70.3	-63.7	169.4	0	0	110	S146	S146-E158 WeakPolarHBondContact OG-CA 3.27Å; S146-E158 PolarHBondContact OG-OE2 3.07Å
159	F	96.2	Very high	95.2	Very high	13 Å²	13	59.8 Å²	59.8	6%	0.057	37%	0.374	C	S	.	.			trans	-87.8	128.9	174.6	-64.7	-82.8	0	0	0	110.8	L63 F67 H142 L145 S146 I149 V157	L63-F159 HydrophobicContact CD2-CB 4.15Å; L63-F159 HydrophobicContact CD2-CD1 3.81Å; L63-F159 HydrophobicContact CD2-CG 4.13Å; F67-F159 HydrophobicContact CD1-CE1 4.22Å; F67-F159 HydrophobicContact CD1-CZ 4.08Å; F67-F159 HydrophobicContact CD2-CE1 4.11Å; F67-F159 AromaticContact CE1-CE1 4Å; F67-F159 HydrophobicContact CE1-CE1 4Å; F67-F159 AromaticContact CE1-CZ 3.52Å; F67-F159 HydrophobicContact CE1-CZ 3.52Å; F67-F159 AromaticContact CE2-CE1 3.86Å; F67-F159 HydrophobicContact CE2-CE1 3.86Å; F67-F159 HydrophobicContact CE2-CZ 4.05Å; F67-F159 HydrophobicContact CG-CE1 4.27Å; F67-F159 AromaticContact CZ-CE1 3.8Å; F67-F159 HydrophobicContact CZ-CE1 3.8Å; F67-F159 HydrophobicContact CZ-CE2 4.28Å; F67-F159 AromaticContact CZ-CZ 3.49Å; F67-F159 HydrophobicContact CZ-CZ 3.49Å; F67-F159 VanDerWaalsContact CZ-CZ 3.49Å; H142-F159 HydrophobicContact CB-CB 4.36Å; L145-F159 HydrophobicContact CB-CD2 3.77Å; L145-F159 HydrophobicContact CB-CE2 3.89Å; S146-F159 PolarHBondContact OG-N 3.18Å; S146-F159 VanDerWaalsContact OG-N 3.1Å; I149-F159 HydrophobicContact CB-CE2 3.99Å; I149-F159 HydrophobicContact CB-CZ 4.33Å; I149-F159 HydrophobicContact CG1-CE2 3.87Å; I149-F159 HydrophobicContact CG1-CZ 4.1Å; I149-F159 HydrophobicContact CG2-CE2 4.37Å; I149-F159 HydrophobicContact CG2-CZ 4.29Å; V157-F159 HydrophobicContact CG1-CD2 4.15Å; V157-F159 HydrophobicContact CG1-CE1 4.46Å; V157-F159 HydrophobicContact CG1-CE2 3.58Å; V157-F159 HydrophobicContact CG1-CZ 3.76Å
160	Q	87.1	Confident	94.9	Very high	158 Å²	158	64.8 Å²	64.8	74%	0.738	41%	0.405	S	S	*	.			trans	-85.6	153.6	-179.9	-61.4	-178.8	12.2	0	0	111.4	H142	H142-Q160 PolarHBondContact CD2-O 3Å; H142-Q160 PolarHBondContact NE2-O 3.37Å
161	T	80.8	Confident	94.6	Very high	87 Å²	87	68.2 Å²	68.2	53%	0.534	43%	0.425	S	S	.	.			trans	-94.7	0	177.9	-61.1	0	0	0	0	112	R130 L131 H142	R130-T161 HydrophobicContact CB-CG2 4.34Å; R130-T161 WeakPolarHBondContact O-CG2 3.39Å; L131-T161 HydrophobicContact CD2-CG2 3.91Å; L131-T161 VanDerWaalsContact CD2-OG1 3.31Å; L131-T161 WeakPolarHBondContact CD2-OG1 3.35Å; H142-T161 PolarHBondContact ND1-OG1 2.88Å

Retrieved 161 of 161 residues in 34.1 ms (Link to these results)

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