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Isoform 2 of Peroxisomal coenzyme A diphosphatase NUDT7 AlphaSync

Canonical isoform description: Fatty acyl-coenzyme A (CoA) diphosphatase that hydrolyzes fatty acyl-CoA to yield acyl-4'-phosphopantetheine and adenosine 3',5'-bisphosphate^1,2,3. Cleaves CoA, CoA esters and oxidized CoA with similar efficiencies⁴. Preferentially hydrolyzes medium-chain acyl-CoAs and bile acid-CoAs⁵. Has no activity toward NDP-sugars, CDP-alcohols, (deoxy)nucleoside 5'-triphosphates, nucleoside 5'-di or monophosphates, diadenosine polyphosphates, NAD, NADH, NADP, NADPH or thymidine-5'-monophospho-p-nitrophenyl ester⁶. May be required to eliminate oxidized CoA from peroxisomes, or regulate CoA and acyl-CoA levels in this organelle in response to metabolic demand⁷. Does not play a role in U8 snoRNA decapping activity⁸. Binds U8 snoRNA⁹. Exhibits decapping activity towards dpCoA-capped RNAs in vitro¹⁰.

AlphaFold DB , UniProt , Accession Q99P30-2 (canonical: Q99P30), Species MOUSE (Mus musculus, Mouse), Gene Nudt7, Length 260 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters 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	37	Very low	34.8	Very low	245 Å²	245	177.9 Å²	177.9	100%	1.207	90%	0.896	S	S	*	*				0	121	0	-160	174.5	-105.1	0	0	106	Q3	M1-Q3 PolarHBondContact O-N 3.48Å
2	V	35.8	Very low	34.6	Very low	143 Å²	143	172.8 Å²	172.8	87%	0.867	88%	0.884	S	S	*	*	P	Polyproline II helix	trans	-61.2	125.7	-153.5	-173.5	0	0	0	0	112.7
3	Q	33	Very low	34.3	Very low	188 Å²	188	169.5 Å²	169.5	88%	0.879	88%	0.884	S	S	*	*	P	Polyproline II helix	trans	-77.3	123	170	-84.2	175.1	-33.2	0	0	109.7	M1	M1-Q3 PolarHBondContact O-N 3.48Å
4	S	34.9	Very low	34.2	Very low	115 Å²	115	171.1 Å²	171.1	80%	0.804	89%	0.885	S	S	*	*	P	Polyproline II helix	trans	-78.5	124.7	177.6	-33.9	0	0	0	0	109.9
5	L	32.1	Very low	33.7	Very low	174 Å²	174	173.9 Å²	173.9	91%	0.911	89%	0.888	S	S	*	*	P	Polyproline II helix	trans	-78.1	125.4	172.5	-82.7	147.5	0	0	0	110.1
6	E	33.3	Very low	33.7	Very low	190 Å²	190	167.2 Å²	167.2	89%	0.888	88%	0.875	S	S	*	*	P	Polyproline II helix	trans	-76.1	131.4	170.5	-71.1	179.9	147.9	0	0	110.8
7	L	32.2	Very low	33.4	Very low	165 Å²	165	163.5 Å²	163.5	86%	0.864	87%	0.867	S	S	*	*	P	Polyproline II helix	trans	-90.4	133.6	171.3	-81.2	158.6	0	0	0	109.8
8	P	35.7	Very low	33.2	Very low	119 Å²	119	168.6 Å²	168.6	77%	0.773	87%	0.872	S	S	*	*	P	Polyproline II helix	trans	-78.5	139.7	178.7	29.2	-30.8	0	0	0	112.2
9	Q	35.8	Very low	33.2	Very low	189 Å²	189	167.7 Å²	167.7	88%	0.883	87%	0.867	S	S	*	*	P	Polyproline II helix	trans	-67.9	136.1	-178.9	-62.5	-135.1	-22.3	0	0	112.8
10	R	33.7	Very low	33.1	Very low	248 Å²	248	169.1 Å²	169.1	94%	0.936	87%	0.867	S	S	*	*	P	Polyproline II helix	trans	-77	128.9	172.2	-73	-173.7	-178.5	-164.2	1.1	110.5
11	Q	39.2	Very low	33	Very low	181 Å²	181	172.9 Å²	172.9	85%	0.846	87%	0.87	S	S	*	*	P	Polyproline II helix	trans	-74.6	152.9	169.4	-75.4	-175.3	-28.6	0	0	112
12	P	32.3	Very low	32.9	Very low	116 Å²	116	166.3 Å²	166.3	75%	0.753	85%	0.848	S	S	*	*	P	Polyproline II helix	trans	-80.5	139.7	-179.9	31.4	-32	0	0	0	112.5	H14	P12-H14 PolarHBondContact O-N 3Å
13	C	30.7	Very low	32.9	Very low	131 Å²	131	165.2 Å²	165.2	89%	0.885	84%	0.844	S	S	*	*	P	Polyproline II helix	trans	-69.2	124	175.7	-61.7	0	0	0	0	111.1	F15	C13-F15 PolarHBondContact O-N 3.48Å
14	H	33.1	Very low	33.1	Very low	192 Å²	192	162.5 Å²	162.5	89%	0.889	85%	0.846	S	S	*	*	P	Polyproline II helix	trans	-66.1	125.4	173.8	-88.4	-87.5	0	0	0	112	P12 G16	P12-H14 PolarHBondContact O-N 3Å; H14-G16 PolarHBondContact O-N 3.44Å
15	F	27	Very low	33.2	Very low	212 Å²	212	159.6 Å²	159.6	93%	0.93	83%	0.834	S	S	*	*			trans	-79.1	109.5	167.2	-133	-99.2	0	0	0	108.5	C13	C13-F15 PolarHBondContact O-N 3.48Å
16	G	32.5	Very low	33.4	Very low	67 Å²	67	160.1 Å²	160.1	69%	0.691	84%	0.837	S	S	*	*			trans	-109.3	108.4	174.4	0	0	0	0	0	110.7	H14	H14-G16 PolarHBondContact O-N 3.44Å
17	S	29.2	Very low	34	Very low	105 Å²	105	157.3 Å²	157.3	73%	0.734	83%	0.833	S	S	*	*			trans	-80.3	129	168.1	64.5	0	0	0	0	110.5
18	W	29.3	Very low	35.1	Very low	254 Å²	254	154.9 Å²	154.9	96%	0.962	83%	0.829	S	S	*	*			trans	-136.3	129.1	155.8	-76.6	91.4	0	0	0	110.9
19	I	34.2	Very low	35.9	Very low	152 Å²	152	155.1 Å²	155.1	78%	0.779	82%	0.819	S	S	*	*			trans	-65	142.8	177.8	-67.2	160.1	0	0	0	110.9
20	K	32	Very low	37.4	Very low	196 Å²	196	148.6 Å²	148.6	85%	0.852	79%	0.793	S	S	*	*			trans	-166.6	112.7	130.1	-103.4	167.4	-171	-174.1	0	111.1
21	R	29.5	Very low	38.5	Very low	248 Å²	248	142 Å²	142	94%	0.936	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-64.6	126.2	159.5	-76	179.2	173.4	-170.5	-2.7	107.7
22	S	35.8	Very low	39.5	Very low	108 Å²	108	138 Å²	138	76%	0.755	78%	0.775	S	S	*	*	P	Polyproline II helix	trans	-100.7	140.6	166.1	-66.4	0	0	0	0	109.6
23	P	35.5	Very low	40.7	Very low	120 Å²	120	137.7 Å²	137.7	78%	0.779	76%	0.763	S	S	*	*	P	Polyproline II helix	trans	-73.1	152.2	-178.8	30.9	-33	0	0	0	111	G25	P23-G25 PolarHBondContact O-N 2.92Å
24	S	38	Very low	42.1	Very low	130 Å²	130	134.4 Å²	134.4	91%	0.909	74%	0.739	S	S	*	*			trans	-44.9	104.2	173.6	49.4	0	0	0	0	112.3
25	G	35.4	Very low	43.4	Very low	54 Å²	54	130.7 Å²	130.7	56%	0.557	73%	0.725	S	S	*	*			trans	-115.3	137	168.9	0	0	0	0	0	109.4	P23 T27	P23-G25 PolarHBondContact O-N 2.92Å; G25-T27 PolarHBondContact O-N 3.16Å
26	L	37.3	Very low	45.1	Very low	186 Å²	186	121.3 Å²	121.3	97%	0.974	69%	0.688	S	S	*	*			trans	-50.7	105	164.7	-96.7	72.9	0	0	0	108.2	S28	L26-S28 PolarHBondContact O-N 2.96Å; L26-S28 VanDerWaalsContact O-N 3.16Å
27	T	45.4	Very low	46.9	Very low	130 Å²	130	120.6 Å²	120.6	80%	0.798	67%	0.668	S	S	*	*			trans	-73.4	106.8	173.3	51.9	0	0	0	0	107.9	G25 K29	G25-T27 PolarHBondContact O-N 3.16Å; T27-K29 PolarHBondContact O-N 3.25Å
28	S	54.8	Low	49.6	Very low	114 Å²	114	119.8 Å²	119.8	80%	0.797	66%	0.656	S	S	*	*	P	Polyproline II helix	trans	-61.4	121	166.5	60.8	0	0	0	0	108.2	L26	L26-S28 PolarHBondContact O-N 2.96Å; L26-S28 VanDerWaalsContact O-N 3.16Å
29	K	53	Low	52.6	Low	125 Å²	125	109.9 Å²	109.9	54%	0.543	62%	0.622	S	S	.	*	P	Polyproline II helix	trans	-56.1	140.2	177.1	-68.6	-179.3	174.6	-176.5	0	109.9	T27 Q33 V34 N37	T27-K29 PolarHBondContact O-N 3.25Å; K29-Q33 HydrophobicContact CB-CB 4.15Å; K29-V34 HydrophobicContact CB-CG2 3.71Å; K29-N37 WeakPolarHBondContact CD-ND2 3.43Å; K29-N37 PolarHBondContact NZ-ND2 3.35Å
30	S	67.5	Low	55.5	Low	51 Å²	51	104.5 Å²	104.5	36%	0.357	59%	0.594	S	S	.	*	P	Polyproline II helix	trans	-64.4	154.2	176.3	71.2	0	0	0	0	110.8	S32 Q33 V34	S30-S32 PolarHBondContact O-N 3.31Å; S30-S32 VanDerWaalsContact O-N 3.14Å; S30-Q33 VanDerWaalsContact N-OE1 3.15Å; S30-Q33 CarbonylContact O-C 3.58Å; S30-Q33 WeakPolarHBondContact O-CA 3.38Å; S30-Q33 WeakPolarHBondContact O-CB 3.43Å; S30-Q33 PolarHBondContact O-N 2.94Å; S30-Q33 VanDerWaalsContact OG-CG 3.31Å; S30-Q33 WeakPolarHBondContact OG-CG 3.48Å; S30-Q33 PolarHBondContact OG-N 2.9Å; S30-V34 PolarHBondContact O-N 3.14Å
31	P	57.1	Low	58.5	Low	110 Å²	110	99.3 Å²	99.3	71%	0.714	58%	0.576	S	S	*	*	H	α-helix	trans	-53.1	-38.3	179.9	-27.1	34.3	0	0	0	113.3	V34 L35	P31-V34 PolarHBondContact O-N 3.48Å; P31-L35 WeakPolarHBondContact O-CB 3.31Å; P31-L35 PolarHBondContact O-N 2.91Å
32	S	60.1	Low	61.7	Low	96 Å²	96	91.7 Å²	91.7	67%	0.671	55%	0.553	S	S	*	*	H	α-helix	trans	-65.7	-37.8	175.6	-45.3	0	0	0	0	112.5	S30 G36	S30-S32 PolarHBondContact O-N 3.31Å; S30-S32 VanDerWaalsContact O-N 3.14Å; S32-G36 PolarHBondContact O-N 3.05Å
33	Q	58.5	Low	64.7	Low	111 Å²	111	86.6 Å²	86.6	52%	0.519	52%	0.518	S	S	.	.	H	α-helix	trans	-70.2	-36.3	173.7	-75	173.3	-14	0	0	112.1	K29 S30 N37	K29-Q33 HydrophobicContact CB-CB 4.15Å; S30-Q33 VanDerWaalsContact N-OE1 3.15Å; S30-Q33 CarbonylContact O-C 3.58Å; S30-Q33 WeakPolarHBondContact O-CA 3.38Å; S30-Q33 WeakPolarHBondContact O-CB 3.43Å; S30-Q33 PolarHBondContact O-N 2.94Å; S30-Q33 VanDerWaalsContact OG-CG 3.31Å; S30-Q33 WeakPolarHBondContact OG-CG 3.48Å; S30-Q33 PolarHBondContact OG-N 2.9Å; Q33-N37 WeakPolarHBondContact O-CB 3.48Å; Q33-N37 PolarHBondContact O-N 3.42Å; Q33-N37 PolarHBondContact O-ND2 3.02Å
34	V	58.6	Low	67.7	Low	62 Å²	62	81.8 Å²	81.8	38%	0.376	49%	0.485	S	S	.	.	H	α-helix	trans	-66.7	-47.9	176.5	176.4	0	0	0	0	110.5	K29 S30 P31 G36 N37 N38	K29-V34 HydrophobicContact CB-CG2 3.71Å; S30-V34 PolarHBondContact O-N 3.14Å; P31-V34 PolarHBondContact O-N 3.48Å; V34-G36 VanDerWaalsContact C-N 3.33Å; V34-G36 PolarHBondContact O-N 3.17Å; V34-N37 PolarHBondContact O-N 3.25Å; V34-N38 PolarHBondContact O-N 3.43Å
35	L	61.8	Low	70.5	Confident	113 Å²	113	77.7 Å²	77.7	59%	0.592	46%	0.459	S	S	*	.	H	α-helix	trans	-60.6	-43.1	177.3	-173.8	67.3	0	0	0	111.8	P31 N38 L39	P31-L35 WeakPolarHBondContact O-CB 3.31Å; P31-L35 PolarHBondContact O-N 2.91Å; L35-N38 PolarHBondContact O-N 3.04Å; L35-L39 PolarHBondContact O-N 2.87Å
36	G	62.8	Low	73.5	Confident	15 Å²	15	78.3 Å²	78.3	16%	0.155	44%	0.444	C	S	.	.	H	α-helix	trans	-63	-39.4	176.5	0	0	0	0	0	113.4	S32 V34 L39 I40	S32-G36 PolarHBondContact O-N 3.05Å; V34-G36 VanDerWaalsContact C-N 3.33Å; V34-G36 PolarHBondContact O-N 3.17Å; G36-L39 PolarHBondContact O-N 3.04Å; G36-I40 WeakPolarHBondContact O-CG1 3.27Å; G36-I40 PolarHBondContact O-N 3.14Å; G36-I40 VanDerWaalsContact O-N 3.14Å
37	N	69.3	Low	76.4	Confident	52 Å²	52	69.4 Å²	69.4	28%	0.278	40%	0.398	S	S	.	.	H	α-helix	trans	-66.8	-44.3	176.5	-71.9	-38	0	0	0	111.6	K29 Q33 V34 L39 I40 D41	K29-N37 WeakPolarHBondContact CD-ND2 3.43Å; K29-N37 PolarHBondContact NZ-ND2 3.35Å; Q33-N37 WeakPolarHBondContact O-CB 3.48Å; Q33-N37 PolarHBondContact O-N 3.42Å; Q33-N37 PolarHBondContact O-ND2 3.02Å; V34-N37 PolarHBondContact O-N 3.25Å; N37-L39 VanDerWaalsContact C-N 3.29Å; N37-L39 PolarHBondContact O-N 2.86Å; N37-I40 PolarHBondContact O-N 3.31Å; N37-D41 WeakPolarHBondContact O-CB 3.39Å; N37-D41 VanDerWaalsContact O-CG 3.26Å; N37-D41 PolarHBondContact O-N 2.88Å
38	N	85.3	Confident	78.9	Confident	88 Å²	88	69.7 Å²	69.7	47%	0.471	38%	0.384	S	S	.	.	H	α-helix	trans	-60.1	-41.2	176.6	-69.9	-4.4	0	0	0	111.5	V34 L35 I40 D41 D42	V34-N38 PolarHBondContact O-N 3.43Å; L35-N38 PolarHBondContact O-N 3.04Å; N38-I40 PolarHBondContact O-N 2.57Å; N38-D41 PolarHBondContact O-N 3.4Å; N38-D42 VanDerWaalsContact O-CB 3.32Å; N38-D42 WeakPolarHBondContact O-CB 3.37Å; N38-D42 PolarHBondContact O-N 3.34Å
39	L	91.9	Very high	80.9	Confident	47 Å²	47	72.3 Å²	72.3	25%	0.246	38%	0.381	C	S	.	.	H	α-helix	trans	-60	-46.3	177	178.4	66.1	0	0	0	112.6	L35 G36 N37 A43 G75 L77	L35-L39 PolarHBondContact O-N 2.87Å; G36-L39 PolarHBondContact O-N 3.04Å; N37-L39 VanDerWaalsContact C-N 3.29Å; N37-L39 PolarHBondContact O-N 2.86Å; L39-A43 VanDerWaalsContact O-CB 3.25Å; L39-A43 WeakPolarHBondContact O-CB 3.24Å; L39-A43 PolarHBondContact O-N 3Å; L39-A43 VanDerWaalsContact O-N 3.08Å; L39-G75 WeakPolarHBondContact CD2-O 3.47Å; L39-L77 HydrophobicContact CD1-CD1 4.28Å; L39-L77 HydrophobicContact CD1-CG 4.33Å; L39-L77 HydrophobicContact CD2-CD2 4.18Å; L39-L77 HydrophobicContact CD2-CG 3.93Å; L39-L77 HydrophobicContact CG-CD1 4.28Å; L39-L77 HydrophobicContact CG-CD2 4.28Å; L39-L77 HydrophobicContact CG-CG 4.01Å
40	I	95.7	Very high	82.9	Confident	38 Å²	38	66.9 Å²	66.9	20%	0.195	36%	0.359	C	S	.	.	H	α-helix	trans	-66.5	-45.5	178.7	-66.5	169.3	0	0	0	110.2	G36 N37 N38 A43 K44 A72 F151	G36-I40 WeakPolarHBondContact O-CG1 3.27Å; G36-I40 PolarHBondContact O-N 3.14Å; G36-I40 VanDerWaalsContact O-N 3.14Å; N37-I40 PolarHBondContact O-N 3.31Å; N38-I40 PolarHBondContact O-N 2.57Å; I40-A43 PolarHBondContact O-N 2.91Å; I40-K44 HydrophobicContact CG2-CD 3.9Å; I40-K44 VanDerWaalsContact CG2-CE 3.44Å; I40-K44 HydrophobicContact CG2-CG 4.28Å; I40-K44 WeakPolarHBondContact O-CB 3.32Å; I40-K44 VanDerWaalsContact O-CG 3.25Å; I40-K44 WeakPolarHBondContact O-CG 3.44Å; I40-K44 PolarHBondContact O-N 2.91Å; I40-A72 HydrophobicContact CD1-CB 3.61Å; I40-A72 HydrophobicContact CG1-CB 3.71Å; I40-F151 HydrophobicContact CB-CE1 4.3Å; I40-F151 HydrophobicContact CG1-CD1 4.27Å; I40-F151 HydrophobicContact CG1-CE1 4.1Å; I40-F151 HydrophobicContact CG2-CD1 3.88Å; I40-F151 HydrophobicContact CG2-CE1 3.9Å; I40-F151 HydrophobicContact CG2-CG 4.4Å; I40-F151 HydrophobicContact CG2-CZ 4.45Å
41	D	96.2	Very high	84.3	Confident	88 Å²	88	67.6 Å²	67.6	47%	0.471	36%	0.359	S	S	.	.	H	α-helix	trans	-64.7	-42.4	-177.2	-70.1	-27.2	0	0	0	111.7	N37 N38 K44 A45	N37-D41 WeakPolarHBondContact O-CB 3.39Å; N37-D41 VanDerWaalsContact O-CG 3.26Å; N37-D41 PolarHBondContact O-N 2.88Å; N38-D41 PolarHBondContact O-N 3.4Å; D41-K44 PolarHBondContact O-N 3.39Å; D41-A45 WeakPolarHBondContact O-CB 3.4Å; D41-A45 PolarHBondContact O-N 2.91Å
42	D	96.3	Very high	86.2	Confident	87 Å²	87	62.9 Å²	62.9	47%	0.465	33%	0.328	S	S	.	.	H	α-helix	trans	-63.9	-45.1	175	-72.1	-20.5	0	0	0	111.5	N38 K44 A45 R46	N38-D42 VanDerWaalsContact O-CB 3.32Å; N38-D42 WeakPolarHBondContact O-CB 3.37Å; N38-D42 PolarHBondContact O-N 3.34Å; D42-K44 VanDerWaalsContact C-N 3.34Å; D42-K44 PolarHBondContact O-N 3.49Å; D42-A45 PolarHBondContact O-N 3.08Å; D42-R46 WeakPolarHBondContact O-CG 3.38Å; D42-R46 PolarHBondContact O-N 3.36Å
43	A	97.8	Very high	88	Confident	1 Å²	1	59.4 Å²	59.4	1%	0.008	31%	0.308	C	S	.	.	H	α-helix	trans	-61.4	-43.4	177.2	0	0	0	0	0	111.5	L39 I40 R46 L47 L77 F151 I227	L39-A43 VanDerWaalsContact O-CB 3.25Å; L39-A43 WeakPolarHBondContact O-CB 3.24Å; L39-A43 PolarHBondContact O-N 3Å; L39-A43 VanDerWaalsContact O-N 3.08Å; I40-A43 PolarHBondContact O-N 2.91Å; A43-R46 PolarHBondContact O-N 3.44Å; A43-L47 WeakPolarHBondContact O-CB 3.39Å; A43-L47 WeakPolarHBondContact O-CG 3.25Å; A43-L47 PolarHBondContact O-N 2.86Å; A43-L77 HydrophobicContact CB-CD1 3.85Å; A43-F151 HydrophobicContact CB-CZ 3.73Å; A43-I227 HydrophobicContact CB-CD1 4.39Å; A43-I227 HydrophobicContact CB-CG1 4.3Å; A43-I227 HydrophobicContact CB-CG2 3.63Å
44	K	98	Very high	89.7	Confident	19 Å²	19	59 Å²	59	8%	0.083	31%	0.312	C	S	.	.	H	α-helix	trans	-62.3	-43	174.4	-73.8	177.7	177.1	179.3	0	112.1	I40 D41 D42 R46 L47 R48 E129 V131 F151	I40-K44 HydrophobicContact CG2-CD 3.9Å; I40-K44 VanDerWaalsContact CG2-CE 3.44Å; I40-K44 HydrophobicContact CG2-CG 4.28Å; I40-K44 WeakPolarHBondContact O-CB 3.32Å; I40-K44 VanDerWaalsContact O-CG 3.25Å; I40-K44 WeakPolarHBondContact O-CG 3.44Å; I40-K44 PolarHBondContact O-N 2.91Å; D41-K44 PolarHBondContact O-N 3.39Å; D42-K44 VanDerWaalsContact C-N 3.34Å; D42-K44 PolarHBondContact O-N 3.49Å; K44-R46 VanDerWaalsContact C-N 3.3Å; K44-R46 PolarHBondContact O-N 3.44Å; K44-L47 PolarHBondContact O-N 3.26Å; K44-R48 WeakPolarHBondContact O-CB 3.47Å; K44-R48 VanDerWaalsContact O-CG 3.28Å; K44-R48 WeakPolarHBondContact O-CG 3.28Å; K44-R48 PolarHBondContact O-N 3.14Å; K44-E129 WeakPolarHBondContact CE-OE1 3.48Å; K44-E129 IonicContact NZ-OE1 3.02Å; K44-E129 PolarHBondContact NZ-OE1 3.5Å; K44-E129 IonicContact NZ-OE2 2.71Å; K44-E129 PolarHBondContact NZ-OE2 3.29Å; K44-V131 HydrophobicContact CB-CG1 4.07Å; K44-V131 HydrophobicContact CD-CG2 4.37Å; K44-V131 HydrophobicContact CG-CG1 4.01Å; K44-V131 HydrophobicContact CG-CG2 3.95Å; K44-F151 HydrophobicContact CG-CD2 4.02Å; K44-F151 HydrophobicContact CG-CE2 3.71Å; K44-F151 HydrophobicContact CG-CZ 4.27Å
45	A	97.9	Very high	91.5	Very high	44 Å²	44	61.9 Å²	61.9	36%	0.364	32%	0.317	S	S	.	.	H	α-helix	trans	-61.5	-39.4	178.3	0	0	0	0	0	111.8	D41 D42 K49	D41-A45 WeakPolarHBondContact O-CB 3.4Å; D41-A45 PolarHBondContact O-N 2.91Å; D42-A45 PolarHBondContact O-N 3.08Å; A45-K49 WeakPolarHBondContact O-CG 3.36Å
46	R	97.5	Very high	93.1	Very high	67 Å²	67	57.3 Å²	57.3	25%	0.253	29%	0.292	S	S	.	.	H	α-helix	trans	-67.8	-48.3	174.7	-70.1	168.1	176.1	146.2	0.6	112	D42 A43 K44 R48 K49 I226 I227 E229	D42-R46 WeakPolarHBondContact O-CG 3.38Å; D42-R46 PolarHBondContact O-N 3.36Å; A43-R46 PolarHBondContact O-N 3.44Å; K44-R46 VanDerWaalsContact C-N 3.3Å; K44-R46 PolarHBondContact O-N 3.44Å; R46-R48 VanDerWaalsContact C-N 3.34Å; R46-R48 PolarHBondContact O-N 2.86Å; R46-K49 WeakPolarHBondContact O-CB 3.46Å; R46-K49 PolarHBondContact O-N 3.46Å; R46-K49 VanDerWaalsContact O-N 3.12Å; R46-I226 HydrophobicContact CB-CG2 4.21Å; R46-I226 WeakPolarHBondContact CB-O 3.31Å; R46-I226 WeakPolarHBondContact CD-O 3.33Å; R46-I227 WeakPolarHBondContact CD-O 3.48Å; R46-I227 PolarHBondContact NH1-O 3.45Å; R46-E229 IonicContact CZ-OE2 2.89Å; R46-E229 IonicContact NE-OE1 3.61Å; R46-E229 PolarHBondContact NE-OE1 3.03Å; R46-E229 IonicContact NE-OE2 3.72Å; R46-E229 PolarHBondContact NE-OE2 3.17Å; R46-E229 IonicContact NH2-OE2 2.73Å; R46-E229 PolarHBondContact NH2-OE2 2.92Å
47	L	98.2	Very high	94.6	Very high	0 Å²	0	58.4 Å²	58.4	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-59.6	-40.9	178.9	-75.8	166	0	0	0	113.1	A43 K44 K49 S50 D51 L70 V131 S132 V149 F151 I226 I227	A43-L47 WeakPolarHBondContact O-CB 3.39Å; A43-L47 WeakPolarHBondContact O-CG 3.25Å; A43-L47 PolarHBondContact O-N 2.86Å; K44-L47 PolarHBondContact O-N 3.26Å; L47-K49 PolarHBondContact O-N 3.25Å; L47-S50 CarbonylContact O-C 3.56Å; L47-S50 WeakPolarHBondContact O-CA 3.15Å; L47-S50 WeakPolarHBondContact O-CB 3.4Å; L47-S50 PolarHBondContact O-N 2.8Å; L47-D51 PolarHBondContact O-N 3.38Å; L47-L70 HydrophobicContact CD1-CD1 3.97Å; L47-V131 HydrophobicContact CB-CG1 3.91Å; L47-V131 HydrophobicContact CD1-CG1 4.29Å; L47-S132 WeakPolarHBondContact O-CB 3.36Å; L47-V149 HydrophobicContact CD1-CG1 3.79Å; L47-V149 HydrophobicContact CD2-CB 4.39Å; L47-V149 HydrophobicContact CD2-CG1 3.98Å; L47-V149 HydrophobicContact CD2-CG2 4.27Å; L47-F151 HydrophobicContact CD1-CE2 3.77Å; L47-F151 HydrophobicContact CD1-CZ 4.42Å; L47-I226 HydrophobicContact CD2-CG2 4.03Å; L47-I226 HydrophobicContact CG-CG2 4.4Å; L47-I227 HydrophobicContact CD1-CD1 3.92Å; L47-I227 HydrophobicContact CD1-CG1 4.23Å; L47-I227 HydrophobicContact CD2-CD1 4.25Å; L47-I227 HydrophobicContact CD2-CG1 4.15Å; L47-I227 HydrophobicContact CG-CD1 4.15Å; L47-I227 HydrophobicContact CG-CG1 3.96Å
48	R	97.9	Very high	95.7	Very high	135 Å²	135	62.9 Å²	62.9	51%	0.509	32%	0.316	S	S	.	.	H	α-helix	trans	-62.5	-29.1	177.2	-74.4	173.6	-175.8	134.3	1.4	113.1	K44 R46 S50 D51 E129 V131	K44-R48 WeakPolarHBondContact O-CB 3.47Å; K44-R48 VanDerWaalsContact O-CG 3.28Å; K44-R48 WeakPolarHBondContact O-CG 3.28Å; K44-R48 PolarHBondContact O-N 3.14Å; R46-R48 VanDerWaalsContact C-N 3.34Å; R46-R48 PolarHBondContact O-N 2.86Å; R48-S50 PolarHBondContact O-N 2.89Å; R48-D51 WeakPolarHBondContact O-CB 3.25Å; R48-D51 PolarHBondContact O-N 3.05Å; R48-E129 IonicContact NH2-OE1 2.95Å; R48-V131 HydrophobicContact CG-CG1 3.99Å
49	K	96.6	Very high	96.1	Very high	169 Å²	169	60.3 Å²	60.3	74%	0.735	30%	0.302	S	S	*	.	H	α-helix	trans	-71.3	-21.2	173.8	-65.3	171.1	-175.1	176	0	112.4	A45 R46 L47	A45-K49 WeakPolarHBondContact O-CG 3.36Å; R46-K49 WeakPolarHBondContact O-CB 3.46Å; R46-K49 PolarHBondContact O-N 3.46Å; R46-K49 VanDerWaalsContact O-N 3.12Å; L47-K49 PolarHBondContact O-N 3.25Å
50	S	95.7	Very high	95.9	Very high	12 Å²	12	58.7 Å²	58.7	8%	0.084	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.8	4	179.7	-58.8	0	0	0	0	113.3	L47 R48 V52	L47-S50 CarbonylContact O-C 3.56Å; L47-S50 WeakPolarHBondContact O-CA 3.15Å; L47-S50 WeakPolarHBondContact O-CB 3.4Å; L47-S50 PolarHBondContact O-N 2.8Å; R48-S50 PolarHBondContact O-N 2.89Å; S50-V52 PolarHBondContact O-N 2.92Å
51	D	97.6	Very high	95.6	Very high	65 Å²	65	62.5 Å²	62.5	35%	0.348	33%	0.325	S	S	.	.			trans	-73.5	121.6	-178.1	-176.2	26	0	0	0	111.4	L47 R48 G53 H133	L47-D51 PolarHBondContact O-N 3.38Å; R48-D51 WeakPolarHBondContact O-CB 3.25Å; R48-D51 PolarHBondContact O-N 3.05Å; D51-G53 PolarHBondContact OD1-N 2.82Å; D51-H133 WeakPolarHBondContact CA-O 3.26Å; D51-H133 PolarHBondContact OD1-N 2.85Å; D51-H133 IonicContact OD1-ND1 3.18Å
52	V	97.3	Very high	95.5	Very high	12 Å²	12	60.4 Å²	60.4	7%	0.073	31%	0.313	C	S	.	.			trans	-94.3	-5	173.2	-56.2	0	0	0	0	112.5	S50 T54 R55 Y56 H133 L134 V135 I244	S50-V52 PolarHBondContact O-N 2.92Å; V52-T54 PolarHBondContact O-N 2.86Å; V52-R55 VanDerWaalsContact O-CB 3.23Å; V52-R55 WeakPolarHBondContact O-CB 3.41Å; V52-R55 PolarHBondContact O-N 3.43Å; V52-Y56 HydrophobicContact CB-CD2 4.36Å; V52-Y56 HydrophobicContact CB-CE2 4.02Å; V52-Y56 HydrophobicContact CG1-CE2 4.2Å; V52-Y56 HydrophobicContact CG2-CD2 3.99Å; V52-Y56 HydrophobicContact CG2-CE2 4.07Å; V52-H133 HydrophobicContact CG2-CB 4.47Å; V52-H133 WeakPolarHBondContact CG2-O 3.45Å; V52-H133 PolarHBondContact N-O 3.11Å; V52-L134 WeakPolarHBondContact CG2-O 3.47Å; V52-V135 HydrophobicContact CG1-CG2 3.93Å; V52-I244 HydrophobicContact CG1-CG2 4.49Å
53	G	96.3	Very high	95.5	Very high	23 Å²	23	56.9 Å²	56.9	24%	0.237	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	49.5	-130.2	-177	0	0	0	0	0	112.1	D51	D51-G53 PolarHBondContact OD1-N 2.82Å
54	T	95.7	Very high	95.5	Very high	101 Å²	101	58.8 Å²	58.8	62%	0.62	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.7	10.5	-176.7	59.4	0	0	0	0	114	V52 Y56 S57	V52-T54 PolarHBondContact O-N 2.86Å; T54-Y56 PolarHBondContact O-N 2.99Å; T54-S57 VanDerWaalsContact O-CB 3.3Å; T54-S57 WeakPolarHBondContact O-CB 3.34Å; T54-S57 PolarHBondContact O-N 2.85Å; T54-S57 PolarHBondContact O-OG 3.37Å
55	R	96.3	Very high	95.5	Very high	123 Å²	123	57.9 Å²	57.9	46%	0.464	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.7	-36.9	-170.5	-170.2	-171.5	-59.6	169.1	7.3	113.7	V52 H58 E248	V52-R55 VanDerWaalsContact O-CB 3.23Å; V52-R55 WeakPolarHBondContact O-CB 3.41Å; V52-R55 PolarHBondContact O-N 3.43Å; R55-H58 PolarHBondContact O-CE1 2.94Å; R55-H58 PolarHBondContact O-ND1 3.46Å; R55-E248 IonicContact CZ-OE1 3.7Å; R55-E248 IonicContact NH1-OE1 3.95Å; R55-E248 PolarHBondContact NH1-OE1 3.34Å; R55-E248 IonicContact NH1-OE2 3.18Å; R55-E248 PolarHBondContact NH1-OE2 3.1Å
56	Y	95.6	Very high	95.6	Very high	17 Å²	17	56.7 Å²	56.7	7%	0.067	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.2	2.5	-176	-55.5	-62.6	0	0	0	114	V52 T54 H58 L59 P136 E248 F251 L252	V52-Y56 HydrophobicContact CB-CD2 4.36Å; V52-Y56 HydrophobicContact CB-CE2 4.02Å; V52-Y56 HydrophobicContact CG1-CE2 4.2Å; V52-Y56 HydrophobicContact CG2-CD2 3.99Å; V52-Y56 HydrophobicContact CG2-CE2 4.07Å; T54-Y56 PolarHBondContact O-N 2.99Å; Y56-H58 PolarHBondContact O-N 2.95Å; Y56-L59 HydrophobicContact CD1-CD1 3.81Å; Y56-L59 HydrophobicContact CG-CD1 4.4Å; Y56-L59 WeakPolarHBondContact O-CB 3.44Å; Y56-L59 PolarHBondContact O-N 2.86Å; Y56-P136 VanDerWaalsContact CD2-CD 3.45Å; Y56-P136 HydrophobicContact CD2-CG 4.07Å; Y56-P136 HydrophobicContact CG-CG 4.28Å; Y56-E248 VanDerWaalsContact OH-CG 3.25Å; Y56-E248 WeakPolarHBondContact OH-CG 3.44Å; Y56-E248 PolarHBondContact OH-OE2 2.84Å; Y56-F251 HydrophobicContact CD1-CD1 4.26Å; Y56-F251 AromaticContact CD1-CE1 3.51Å; Y56-F251 HydrophobicContact CD1-CE1 3.51Å; Y56-F251 HydrophobicContact CD1-CZ 4.39Å; Y56-F251 HydrophobicContact CD2-CE1 4.33Å; Y56-F251 HydrophobicContact CE1-CD1 4.21Å; Y56-F251 AromaticContact CE1-CE1 3.89Å; Y56-F251 HydrophobicContact CE1-CE1 3.89Å; Y56-F251 HydrophobicContact CG-CD1 4.47Å; Y56-F251 AromaticContact CG-CE1 3.73Å; Y56-F251 HydrophobicContact CG-CE1 3.73Å; Y56-F251 HydrophobicContact CG-CZ 4.35Å; Y56-L252 HydrophobicContact CE1-CD2 4.23Å
57	S	93.6	Very high	95.6	Very high	39 Å²	39	53.5 Å²	53.5	27%	0.273	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-13.4	-173.9	66.2	0	0	0	0	113.9	T54 K63 D109	T54-S57 VanDerWaalsContact O-CB 3.3Å; T54-S57 WeakPolarHBondContact O-CB 3.34Å; T54-S57 PolarHBondContact O-N 2.85Å; T54-S57 PolarHBondContact O-OG 3.37Å; S57-K63 WeakPolarHBondContact O-CE 3.44Å; S57-K63 PolarHBondContact O-NZ 3.23Å; S57-D109 WeakPolarHBondContact CB-OD2 3.38Å
58	H	93	Very high	95.7	Very high	145 Å²	145	53.5 Å²	53.5	67%	0.671	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.6	-3.7	-179.3	61.6	-84.9	0	0	0	113.6	R55 Y56	R55-H58 PolarHBondContact O-CE1 2.94Å; R55-H58 PolarHBondContact O-ND1 3.46Å; Y56-H58 PolarHBondContact O-N 2.95Å
59	L	92.1	Very high	95.7	Very high	35 Å²	35	47 Å²	47	18%	0.183	25%	0.25	C	C	.	.	S	Bend	trans	-78.7	-23.3	-168.1	-70.1	-175.8	0	0	0	114.9	Y56 L144 F251 Y255	Y56-L59 HydrophobicContact CD1-CD1 3.81Å; Y56-L59 HydrophobicContact CG-CD1 4.4Å; Y56-L59 WeakPolarHBondContact O-CB 3.44Å; Y56-L59 PolarHBondContact O-N 2.86Å; L59-L144 HydrophobicContact CB-CD1 3.81Å; L59-F251 HydrophobicContact CD1-CE1 3.82Å; L59-F251 HydrophobicContact CD1-CZ 3.74Å; L59-Y255 HydrophobicContact CB-CE1 4.47Å; L59-Y255 HydrophobicContact CB-CE2 3.82Å; L59-Y255 HydrophobicContact CD1-CE1 4.4Å; L59-Y255 HydrophobicContact CD2-CE1 4.18Å; L59-Y255 WeakPolarHBondContact O-CE2 3.37Å; L59-Y255 PolarHBondContact O-OH 3.16Å
60	S	88.7	Confident	95.8	Very high	12 Å²	12	39 Å²	39	8%	0.084	22%	0.215	C	C	.	.			trans	-142.6	146.5	178.7	-173.1	0	0	0	0	110.9	N62 K63 D142	S60-N62 PolarHBondContact OG-N 3.16Å; S60-N62 PolarHBondContact OG-O 2.72Å; S60-K63 VanDerWaalsContact O-CD 3.3Å; S60-K63 WeakPolarHBondContact O-CD 3.41Å; S60-K63 WeakPolarHBondContact O-CE 3.42Å; S60-K63 WeakPolarHBondContact O-CG 3.46Å; S60-D142 WeakPolarHBondContact CB-O 3.45Å; S60-D142 PolarHBondContact OG-O 3.29Å
61	S	89.8	Confident	95.9	Very high	119 Å²	119	39 Å²	39	83%	0.832	21%	0.214	S	C	*	.	S	Bend	trans	-84.5	-21.3	167	53.2	0	0	0	0	112.2	K63	S61-K63 PolarHBondContact O-N 2.91Å
62	N	94	Very high	95.9	Very high	43 Å²	43	37.3 Å²	37.3	23%	0.23	21%	0.209	C	C	.	.	S	Bend	trans	-90.4	85.5	176.7	-168.9	18.8	0	0	0	109.4	S60 F64 A143 L144	S60-N62 PolarHBondContact OG-N 3.16Å; S60-N62 PolarHBondContact OG-O 2.72Å; N62-F64 WeakPolarHBondContact OD1-CE2 3.32Å; N62-A143 WeakPolarHBondContact ND2-CB 3.39Å; N62-A143 WeakPolarHBondContact O-CA 3.39Å; N62-L144 PolarHBondContact O-N 2.78Å
63	K	96.2	Very high	95.7	Very high	14 Å²	14	42.2 Å²	42.2	6%	0.061	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	141.7	-169.5	-64.6	-179.1	124.1	-154	0	112.5	S57 S60 S61 R102 D109	S57-K63 WeakPolarHBondContact O-CE 3.44Å; S57-K63 PolarHBondContact O-NZ 3.23Å; S60-K63 VanDerWaalsContact O-CD 3.3Å; S60-K63 WeakPolarHBondContact O-CD 3.41Å; S60-K63 WeakPolarHBondContact O-CE 3.42Å; S60-K63 WeakPolarHBondContact O-CG 3.46Å; S61-K63 PolarHBondContact O-N 2.91Å; K63-R102 HydrophobicContact CB-CB 3.98Å; K63-R102 WeakPolarHBondContact O-CB 3.49Å; K63-R102 PolarHBondContact O-N 3.09Å; K63-D109 IonicContact NZ-OD1 2.81Å; K63-D109 PolarHBondContact NZ-OD1 3.36Å; K63-D109 IonicContact NZ-OD2 2.76Å; K63-D109 PolarHBondContact NZ-OD2 2.98Å
64	F	97.8	Very high	95.4	Very high	41 Å²	41	45 Å²	45	18%	0.18	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	153.1	172.6	-68.2	-108.2	0	0	0	108.1	N62 G100 K101 F139 A143 L144 V145 T146	N62-F64 WeakPolarHBondContact OD1-CE2 3.32Å; F64-G100 CarbonylContact C-O 3.56Å; F64-G100 WeakPolarHBondContact CA-O 3.15Å; F64-G100 WeakPolarHBondContact CB-O 3.18Å; F64-G100 WeakPolarHBondContact CD1-O 3.39Å; F64-K101 HydrophobicContact CD1-CB 3.87Å; F64-K101 HydrophobicContact CD1-CG 4.37Å; F64-K101 HydrophobicContact CD2-CG 4.46Å; F64-K101 HydrophobicContact CE1-CB 3.56Å; F64-K101 HydrophobicContact CE1-CD 4.43Å; F64-K101 HydrophobicContact CE1-CG 3.96Å; F64-K101 HydrophobicContact CE2-CD 4.4Å; F64-K101 HydrophobicContact CE2-CG 4.06Å; F64-K101 HydrophobicContact CG-CB 4.48Å; F64-K101 HydrophobicContact CZ-CB 3.93Å; F64-K101 HydrophobicContact CZ-CD 3.96Å; F64-K101 HydrophobicContact CZ-CG 3.8Å; F64-F139 HydrophobicContact CB-CE1 4.23Å; F64-F139 HydrophobicContact CB-CZ 4.27Å; F64-F139 HydrophobicContact CD1-CZ 4.1Å; F64-F139 AromaticContact CD2-CE1 3.71Å; F64-F139 HydrophobicContact CD2-CE1 3.71Å; F64-F139 AromaticContact CD2-CZ 3.36Å; F64-F139 HydrophobicContact CD2-CZ 3.36Å; F64-F139 HydrophobicContact CE1-CZ 4.27Å; F64-F139 HydrophobicContact CE2-CE1 4.28Å; F64-F139 HydrophobicContact CE2-CE2 4.46Å; F64-F139 AromaticContact CE2-CZ 3.57Å; F64-F139 HydrophobicContact CE2-CZ 3.57Å; F64-F139 HydrophobicContact CG-CE1 4.05Å; F64-F139 AromaticContact CG-CZ 3.66Å; F64-F139 HydrophobicContact CG-CZ 3.66Å; F64-F139 HydrophobicContact CZ-CZ 4.03Å; F64-A143 HydrophobicContact CD2-CB 4.41Å; F64-A143 HydrophobicContact CE2-CB 4.27Å; F64-L144 PolarHBondContact N-O 3.13Å; F64-L144 VanDerWaalsContact O-O 3.09Å; F64-V145 HydrophobicContact CB-CG2 3.52Å; F64-V145 HydrophobicContact CG-CG2 4.44Å; F64-V145 CarbonylContact O-C 3.6Å; F64-V145 WeakPolarHBondContact O-CA 3.41Å; F64-T146 PolarHBondContact O-N 2.97Å
65	S	98.3	Very high	95.2	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	140.7	173.9	-54.9	0	0	0	0	109.4	G99 G100 D109 T146	S65-G99 CarbonylContact O-C 3.5Å; S65-G99 WeakPolarHBondContact O-CA 3.32Å; S65-G100 PolarHBondContact N-O 3.39Å; S65-G100 PolarHBondContact O-N 3.01Å; S65-G100 VanDerWaalsContact O-N 3.08Å; S65-D109 WeakPolarHBondContact CB-O 3.19Å; S65-D109 PolarHBondContact OG-O 3.43Å; S65-T146 WeakPolarHBondContact CA-O 3.21Å
66	V	98.7	Very high	95.2	Very high	18 Å²	18	41 Å²	41	11%	0.109	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	137.1	174.1	-61.1	0	0	0	0	109.4	F97 P98 V145 T146 P147 V148 L219	V66-F97 HydrophobicContact CB-CB 4.12Å; V66-P98 CarbonylContact C-O 3.57Å; V66-P98 WeakPolarHBondContact CA-O 3.39Å; V66-V145 HydrophobicContact CG1-CG1 4.26Å; V66-V145 HydrophobicContact CG2-CG1 3.96Å; V66-T146 PolarHBondContact N-O 3.39Å; V66-P147 HydrophobicContact CG2-CB 4.16Å; V66-V148 PolarHBondContact O-N 3.09Å; V66-L219 HydrophobicContact CG2-CD1 4.02Å
67	L	98.9	Very high	95.3	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	123.8	169	-177.6	69.5	0	0	0	108.7	P69 F97 P98 A113 A117 L123 V128 V148	L67-P69 HydrophobicContact CD2-CB 4.22Å; L67-P69 HydrophobicContact CD2-CG 4.13Å; L67-P69 HydrophobicContact CG-CB 4.29Å; L67-P69 HydrophobicContact CG-CG 4.02Å; L67-P69 WeakPolarHBondContact O-CD 3.43Å; L67-F97 WeakPolarHBondContact O-CB 3.38Å; L67-P98 PolarHBondContact N-O 2.85Å; L67-A113 HydrophobicContact CB-CB 4.3Å; L67-A117 HydrophobicContact CB-CB 4.39Å; L67-A117 HydrophobicContact CD2-CB 3.72Å; L67-L123 HydrophobicContact CD2-CD2 3.37Å; L67-V128 HydrophobicContact CD1-CG2 4.38Å; L67-V128 HydrophobicContact CD2-CG2 4.49Å; L67-V148 CarbonylContact C-O 3.54Å; L67-V148 WeakPolarHBondContact CA-O 3.39Å; L67-V148 HydrophobicContact CD1-CG1 4.39Å
68	V	98.9	Very high	95.6	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	93.7	171.2	-173.8	0	0	0	0	107.9	L79 F97 P147 V148 V149 G150 V223	V68-L79 HydrophobicContact CG1-CD2 3.56Å; V68-F97 HydrophobicContact CG1-CD1 4.4Å; V68-F97 HydrophobicContact CG1-CE1 3.83Å; V68-F97 HydrophobicContact CG1-CE2 4.3Å; V68-F97 HydrophobicContact CG1-CZ 3.77Å; V68-F97 HydrophobicContact CG2-CD2 4.16Å; V68-F97 HydrophobicContact CG2-CE2 4.23Å; V68-F97 HydrophobicContact CG2-CG 4.36Å; V68-F97 HydrophobicContact CG2-CZ 4.49Å; V68-P147 HydrophobicContact CG2-CB 4.16Å; V68-V148 PolarHBondContact N-O 2.95Å; V68-V149 HydrophobicContact CB-CG2 4.25Å; V68-G150 PolarHBondContact O-N 3.41Å; V68-G150 VanDerWaalsContact O-N 3.15Å; V68-V223 HydrophobicContact CG1-CG2 3.95Å
69	P	98.8	Very high	95.8	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	123.8	-164.4	2.2	20.5	0	0	0	110.1	L67 L79 M80 P98 G150 L152	L67-P69 HydrophobicContact CD2-CB 4.22Å; L67-P69 HydrophobicContact CD2-CG 4.13Å; L67-P69 HydrophobicContact CG-CB 4.29Å; L67-P69 HydrophobicContact CG-CG 4.02Å; L67-P69 WeakPolarHBondContact O-CD 3.43Å; P69-L79 WeakPolarHBondContact O-CA 3.41Å; P69-M80 HydrophobicContact CB-CB 4.06Å; P69-M80 HydrophobicContact CB-CE 4.4Å; P69-M80 WeakPolarHBondContact CD-O 3.35Å; P69-M80 HydrophobicContact CG-CB 4Å; P69-M80 HydrophobicContact CG-CE 3.89Å; P69-M80 PolarHBondContact O-N 3.34Å; P69-P98 HydrophobicContact CG-CG 4.2Å; P69-G150 WeakPolarHBondContact CA-O 3.37Å; P69-L152 HydrophobicContact CB-CD1 3.94Å; P69-L152 HydrophobicContact CB-CD2 3.86Å; P69-L152 HydrophobicContact CB-CG 3.92Å
70	L	98.8	Very high	96.2	Very high	0 Å²	0	32 Å²	32	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	129.9	178.3	-73.4	161.7	0	0	0	110.7	L47 Y78 L79 V149 G150 F151 L152 L173 V223 I227	L47-L70 HydrophobicContact CD1-CD1 3.97Å; L70-Y78 CarbonylContact C-O 3.58Å; L70-Y78 VanDerWaalsContact CA-O 3.32Å; L70-Y78 WeakPolarHBondContact CA-O 3.49Å; L70-L79 HydrophobicContact CD2-CD2 3.61Å; L70-L79 HydrophobicContact CD2-CG 4.14Å; L70-L79 HydrophobicContact CG-CD2 4.07Å; L70-V149 HydrophobicContact CD1-CG1 3.7Å; L70-G150 PolarHBondContact N-O 2.9Å; L70-F151 HydrophobicContact CB-CD1 4.07Å; L70-F151 HydrophobicContact CB-CD2 4.46Å; L70-F151 HydrophobicContact CB-CE1 4.04Å; L70-F151 HydrophobicContact CB-CE2 4.45Å; L70-F151 HydrophobicContact CB-CG 4.29Å; L70-F151 HydrophobicContact CB-CZ 4.24Å; L70-F151 HydrophobicContact CD1-CD2 4.36Å; L70-F151 HydrophobicContact CD1-CE1 4.39Å; L70-F151 HydrophobicContact CD1-CE2 3.75Å; L70-F151 HydrophobicContact CD1-CZ 3.76Å; L70-F151 CarbonylContact O-C 3.23Å; L70-F151 WeakPolarHBondContact O-CA 3.35Å; L70-L152 PolarHBondContact O-N 3.2Å; L70-L173 HydrophobicContact CD2-CD1 4.41Å; L70-L173 HydrophobicContact CD2-CD2 4.33Å; L70-V223 HydrophobicContact CD1-CG1 4.36Å; L70-V223 HydrophobicContact CD2-CG1 4.36Å; L70-I227 HydrophobicContact CD1-CD1 3.5Å; L70-I227 VanDerWaalsContact CD1-CD1 3.5Å; L70-I227 HydrophobicContact CD2-CD1 4.16Å
71	L	97.8	Very high	96.6	Very high	13 Å²	13	31.4 Å²	31.4	7%	0.068	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	128	172.7	-177.4	67.9	0	0	0	110.1	L77 Y78 L152 F170	L71-L77 CarbonylContact O-C 3.55Å; L71-L77 WeakPolarHBondContact O-CA 3.48Å; L71-Y78 PolarHBondContact N-O 2.86Å; L71-Y78 PolarHBondContact O-N 2.91Å; L71-L152 HydrophobicContact CB-CD1 4.39Å; L71-L152 HydrophobicContact CD1-CB 4.09Å; L71-F170 HydrophobicContact CB-CD1 4.24Å; L71-F170 HydrophobicContact CB-CE1 3.98Å; L71-F170 HydrophobicContact CD2-CD1 4.02Å; L71-F170 HydrophobicContact CD2-CE1 3.65Å; L71-F170 HydrophobicContact CD2-CZ 4.1Å; L71-F170 HydrophobicContact CG-CE1 4.44Å
72	A	96.7	Very high	97.1	Very high	29 Å²	29	25.8 Å²	25.8	24%	0.24	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	118.4	169.3	0	0	0	0	0	109.9	I40 K76 L77	I40-A72 HydrophobicContact CD1-CB 3.61Å; I40-A72 HydrophobicContact CG1-CB 3.71Å; A72-K76 WeakPolarHBondContact CA-O 3.45Å; A72-L77 HydrophobicContact CB-CD2 3.95Å
73	R	92.9	Very high	97.3	Very high	114 Å²	114	24.3 Å²	24.3	43%	0.43	15%	0.146	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	131.4	179.9	-170.9	170.5	70.7	161.9	7.8	110	G75 K76 Y78 E205	R73-G75 PolarHBondContact O-N 3.5Å; R73-K76 PolarHBondContact N-O 2.87Å; R73-K76 PolarHBondContact O-N 2.8Å; R73-Y78 HydrophobicContact CB-CD2 4.14Å; R73-Y78 HydrophobicContact CB-CE2 4Å; R73-Y78 WeakPolarHBondContact O-CE2 3.43Å; R73-E205 IonicContact NH2-OE1 2.57Å
74	G	90.7	Very high	97.3	Very high	83 Å²	83	25.6 Å²	25.6	86%	0.856	15%	0.151	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.2	31.6	175.9	0	0	0	0	0	114.9	K76	G74-K76 VanDerWaalsContact C-N 3.29Å; G74-K76 PolarHBondContact O-N 3.15Å
75	G	92.2	Very high	97.3	Very high	43 Å²	43	23.9 Å²	23.9	44%	0.443	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	75.6	12.8	-178.1	0	0	0	0	0	114.8	L39 R73	L39-G75 WeakPolarHBondContact CD2-O 3.47Å; R73-G75 PolarHBondContact O-N 3.5Å
76	K	95.7	Very high	97.1	Very high	97 Å²	97	28.8 Å²	28.8	42%	0.422	17%	0.17	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	160	174.4	-66.7	-168.8	171.4	-148.5	0	111.1	A72 R73 G74 Y78 D174	A72-K76 WeakPolarHBondContact CA-O 3.45Å; R73-K76 PolarHBondContact N-O 2.87Å; R73-K76 PolarHBondContact O-N 2.8Å; G74-K76 VanDerWaalsContact C-N 3.29Å; G74-K76 PolarHBondContact O-N 3.15Å; K76-Y78 HydrophobicContact CB-CD2 4.47Å; K76-Y78 HydrophobicContact CB-CE2 3.75Å; K76-D174 IonicContact NZ-OD2 2.84Å; K76-D174 PolarHBondContact NZ-OD2 2.99Å; K76-D174 VanDerWaalsContact NZ-OD2 3.16Å
77	L	98.1	Very high	96.9	Very high	7 Å²	7	34.4 Å²	34.4	4%	0.037	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	143.5	169.8	-65	175.4	0	0	0	110.2	L39 A43 L71 A72 F151 L173 I227	L39-L77 HydrophobicContact CD1-CD1 4.28Å; L39-L77 HydrophobicContact CD1-CG 4.33Å; L39-L77 HydrophobicContact CD2-CD2 4.18Å; L39-L77 HydrophobicContact CD2-CG 3.93Å; L39-L77 HydrophobicContact CG-CD1 4.28Å; L39-L77 HydrophobicContact CG-CD2 4.28Å; L39-L77 HydrophobicContact CG-CG 4.01Å; A43-L77 HydrophobicContact CB-CD1 3.85Å; L71-L77 CarbonylContact O-C 3.55Å; L71-L77 WeakPolarHBondContact O-CA 3.48Å; A72-L77 HydrophobicContact CB-CD2 3.95Å; L77-F151 HydrophobicContact CD2-CE1 3.83Å; L77-L173 HydrophobicContact CB-CB 4.06Å; L77-L173 HydrophobicContact CB-CD2 4.01Å; L77-L173 HydrophobicContact CD1-CD2 4.05Å; L77-L173 WeakPolarHBondContact O-CB 3.43Å; L77-L173 PolarHBondContact O-N 3.03Å; L77-I227 HydrophobicContact CD1-CG2 3.62Å
78	Y	98.6	Very high	96.5	Very high	38 Å²	38	36.5 Å²	36.5	15%	0.149	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	144.4	177.6	-65.6	-103.2	0	0	0	109.4	L70 L71 R73 K76 F170 V171 P172	L70-Y78 CarbonylContact C-O 3.58Å; L70-Y78 VanDerWaalsContact CA-O 3.32Å; L70-Y78 WeakPolarHBondContact CA-O 3.49Å; L71-Y78 PolarHBondContact N-O 2.86Å; L71-Y78 PolarHBondContact O-N 2.91Å; R73-Y78 HydrophobicContact CB-CD2 4.14Å; R73-Y78 HydrophobicContact CB-CE2 4Å; R73-Y78 WeakPolarHBondContact O-CE2 3.43Å; K76-Y78 HydrophobicContact CB-CD2 4.47Å; K76-Y78 HydrophobicContact CB-CE2 3.75Å; Y78-F170 HydrophobicContact CD1-CB 4.18Å; Y78-V171 CarbonylContact C-O 3.58Å; Y78-V171 VanDerWaalsContact CA-O 3.25Å; Y78-V171 WeakPolarHBondContact CA-O 3.39Å; Y78-P172 HydrophobicContact CD1-CB 4.4Å; Y78-P172 HydrophobicContact CD1-CG 4.11Å; Y78-P172 HydrophobicContact CE1-CB 4.19Å; Y78-P172 HydrophobicContact CE1-CG 3.68Å
79	L	98.9	Very high	96	Very high	0 Å²	0	47 Å²	47	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	135.4	165.3	-75.7	170.1	0	0	0	109.3	V68 P69 L70 F81 F97 F170 V171 L173 F176 A220 V223	V68-L79 HydrophobicContact CG1-CD2 3.56Å; P69-L79 WeakPolarHBondContact O-CA 3.41Å; L70-L79 HydrophobicContact CD2-CD2 3.61Å; L70-L79 HydrophobicContact CD2-CG 4.14Å; L70-L79 HydrophobicContact CG-CD2 4.07Å; L79-F81 HydrophobicContact CB-CD2 4.35Å; L79-F81 HydrophobicContact CB-CE2 3.48Å; L79-F81 VanDerWaalsContact CB-CE2 3.48Å; L79-F81 HydrophobicContact CB-CZ 3.77Å; L79-F81 HydrophobicContact CD1-CZ 4.1Å; L79-F97 HydrophobicContact CB-CE1 4.44Å; L79-F97 HydrophobicContact CD1-CZ 4.3Å; L79-F97 HydrophobicContact CD2-CE1 4.22Å; L79-F97 HydrophobicContact CD2-CZ 4.47Å; L79-F170 WeakPolarHBondContact O-CA 3.48Å; L79-V171 PolarHBondContact N-O 3.08Å; L79-V171 PolarHBondContact O-N 3.28Å; L79-L173 HydrophobicContact CD1-CD1 3.67Å; L79-L173 HydrophobicContact CG-CD1 3.87Å; L79-F176 HydrophobicContact CB-CE2 4.42Å; L79-F176 HydrophobicContact CD1-CD2 4Å; L79-F176 HydrophobicContact CD1-CE2 3.76Å; L79-A220 HydrophobicContact CD1-CB 3.82Å; L79-V223 HydrophobicContact CD2-CG1 4.43Å
80	M	98.8	Very high	95.3	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	137	171.2	-169.5	-172.9	85.2	0	0	110.4	P69 F97 P98 V121 L152 F156 V168 F170	P69-M80 HydrophobicContact CB-CB 4.06Å; P69-M80 HydrophobicContact CB-CE 4.4Å; P69-M80 WeakPolarHBondContact CD-O 3.35Å; P69-M80 HydrophobicContact CG-CB 4Å; P69-M80 HydrophobicContact CG-CE 3.89Å; P69-M80 PolarHBondContact O-N 3.34Å; M80-F97 WeakPolarHBondContact O-CD1 2.97Å; M80-P98 HydrophobicContact CE-CG 3.49Å; M80-P98 VanDerWaalsContact CE-CG 3.49Å; M80-V121 HydrophobicContact CE-CB 4.47Å; M80-V121 HydrophobicContact CE-CG1 4.32Å; M80-V121 HydrophobicContact CE-CG2 3.78Å; M80-L152 HydrophobicContact CB-CD1 4.38Å; M80-L152 HydrophobicContact SD-CD1 4.01Å; M80-F156 HydrophobicContact SD-CE1 3.64Å; M80-F156 HydrophobicContact SD-CZ 4.31Å; M80-V168 HydrophobicContact CG-CG1 3.64Å; M80-V168 HydrophobicContact SD-CG1 3.85Å; M80-F170 HydrophobicContact CB-CD1 3.83Å; M80-F170 HydrophobicContact CB-CE1 3.5Å; M80-F170 VanDerWaalsContact CB-CE1 3.5Å; M80-F170 HydrophobicContact CB-CZ 4.1Å; M80-F170 HydrophobicContact CG-CD1 4.15Å; M80-F170 HydrophobicContact CG-CE1 3.61Å; M80-F170 HydrophobicContact CG-CE2 4.25Å; M80-F170 HydrophobicContact CG-CZ 3.66Å; M80-F170 HydrophobicContact SD-CE1 4.17Å; M80-F170 HydrophobicContact SD-CZ 3.9Å
81	F	98.9	Very high	94.6	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	158	175.9	-62.9	-86.8	0	0	0	110.9	L79 V95 C96 F97 V168 F169 V171 F176 I212 T216 A220	L79-F81 HydrophobicContact CB-CD2 4.35Å; L79-F81 HydrophobicContact CB-CE2 3.48Å; L79-F81 VanDerWaalsContact CB-CE2 3.48Å; L79-F81 HydrophobicContact CB-CZ 3.77Å; L79-F81 HydrophobicContact CD1-CZ 4.1Å; F81-V95 HydrophobicContact CB-CG1 3.91Å; F81-V95 HydrophobicContact CD1-CG1 3.91Å; F81-V95 HydrophobicContact CG-CG1 4.09Å; F81-C96 WeakPolarHBondContact CA-O 3.47Å; F81-F97 HydrophobicContact CD1-CD1 4.02Å; F81-F97 AromaticContact CD1-CE1 3.78Å; F81-F97 HydrophobicContact CD1-CE1 3.78Å; F81-F97 HydrophobicContact CD1-CZ 4.18Å; F81-F97 AromaticContact CE1-CD1 3.97Å; F81-F97 HydrophobicContact CE1-CD1 3.97Å; F81-F97 AromaticContact CE1-CE1 3.3Å; F81-F97 HydrophobicContact CE1-CE1 3.3Å; F81-F97 AromaticContact CE1-CE2 3.99Å; F81-F97 HydrophobicContact CE1-CE2 3.99Å; F81-F97 AromaticContact CE1-CZ 3.32Å; F81-F97 HydrophobicContact CE1-CZ 3.32Å; F81-F97 AromaticContact CZ-CE1 3.74Å; F81-F97 HydrophobicContact CZ-CE1 3.74Å; F81-F97 AromaticContact CZ-CZ 3.75Å; F81-F97 HydrophobicContact CZ-CZ 3.75Å; F81-V168 WeakPolarHBondContact O-CA 3.35Å; F81-F169 HydrophobicContact CB-CD1 4.1Å; F81-F169 HydrophobicContact CB-CE1 3.55Å; F81-F169 HydrophobicContact CB-CE2 4.13Å; F81-F169 HydrophobicContact CB-CZ 3.58Å; F81-F169 HydrophobicContact CD2-CE2 4.15Å; F81-F169 HydrophobicContact CD2-CZ 4.33Å; F81-F169 HydrophobicContact CG-CE2 4.4Å; F81-F169 HydrophobicContact CG-CZ 4.11Å; F81-F169 PolarHBondContact N-O 2.73Å; F81-F169 PolarHBondContact O-N 3.38Å; F81-F169 VanDerWaalsContact O-N 3.1Å; F81-V171 HydrophobicContact CD2-CB 4.36Å; F81-V171 HydrophobicContact CD2-CG2 3.79Å; F81-V171 HydrophobicContact CE2-CB 3.92Å; F81-V171 HydrophobicContact CE2-CG2 3.76Å; F81-F176 HydrophobicContact CE2-CE2 4.01Å; F81-F176 AromaticContact CE2-CZ 3.62Å; F81-F176 HydrophobicContact CE2-CZ 3.62Å; F81-F176 HydrophobicContact CZ-CE1 4.29Å; F81-F176 AromaticContact CZ-CE2 3.96Å; F81-F176 HydrophobicContact CZ-CE2 3.96Å; F81-F176 AromaticContact CZ-CZ 3.43Å; F81-F176 HydrophobicContact CZ-CZ 3.43Å; F81-F176 VanDerWaalsContact CZ-CZ 3.43Å; F81-I212 HydrophobicContact CE1-CG2 4.18Å; F81-T216 HydrophobicContact CD1-CG2 3.8Å; F81-T216 HydrophobicContact CE1-CG2 3.63Å; F81-A220 HydrophobicContact CZ-CB 4.13Å
82	T	98.6	Very high	94.3	Very high	1 Å²	1	57.9 Å²	57.9	1%	0.006	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	147.5	169.6	59.5	0	0	0	0	109.6	V95 C96 P98 V121 V165 E167 V168	T82-V95 WeakPolarHBondContact O-CA 3.25Å; T82-C96 PolarHBondContact N-O 2.88Å; T82-C96 PolarHBondContact O-N 3.02Å; T82-C96 PolarHBondContact OG1-O 3.37Å; T82-C96 PolarHBondContact OG1-SG 3.27Å; T82-P98 HydrophobicContact CG2-CG 3.96Å; T82-V121 HydrophobicContact CG2-CG1 3.63Å; T82-V165 HydrophobicContact CG2-CG1 4.05Å; T82-V165 HydrophobicContact CG2-CG2 4.01Å; T82-E167 CarbonylContact C-O 3.3Å; T82-E167 WeakPolarHBondContact CA-O 3.32Å; T82-V168 HydrophobicContact CG2-CG2 4.27Å
83	V	98.3	Very high	94.2	Very high	12 Å²	12	58 Å²	58	7%	0.073	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	120.3	162.6	-178.4	0	0	0	0	106.9	S85 V95 K166 E167 F169 Y210	V83-S85 PolarHBondContact O-N 3.48Å; V83-V95 HydrophobicContact CG2-CG2 4.36Å; V83-K166 HydrophobicContact CB-CB 4.27Å; V83-K166 HydrophobicContact CG1-CB 4.17Å; V83-K166 HydrophobicContact CG1-CD 4.11Å; V83-K166 WeakPolarHBondContact O-CB 3.33Å; V83-K166 PolarHBondContact O-N 2.69Å; V83-E167 HydrophobicContact CB-CB 4.06Å; V83-E167 HydrophobicContact CG2-CB 4.02Å; V83-E167 PolarHBondContact N-O 2.84Å; V83-F169 HydrophobicContact CG2-CD1 4.08Å; V83-F169 HydrophobicContact CG2-CE1 3.79Å; V83-Y210 HydrophobicContact CG2-CD1 3.93Å; V83-Y210 HydrophobicContact CG2-CE1 3.98Å
84	R	98	Very high	94.4	Very high	41 Å²	41	56.6 Å²	56.6	16%	0.155	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.3	136.2	-179.6	-68.1	179.9	65.4	75.9	-3.2	110.7	L88 R90 E91 G93 E94 C96	R84-L88 HydrophobicContact CB-CD1 4.18Å; R84-R90 PolarHBondContact NE-O 3.12Å; R84-R90 PolarHBondContact NH2-O 2.83Å; R84-E91 WeakPolarHBondContact CB-O 3.49Å; R84-E91 VanDerWaalsContact CD-O 3.27Å; R84-E91 WeakPolarHBondContact CD-O 3.16Å; R84-E91 PolarHBondContact NE-O 2.73Å; R84-G93 VanDerWaalsContact O-CA 3.29Å; R84-G93 WeakPolarHBondContact O-CA 3.37Å; R84-G93 PolarHBondContact O-N 2.96Å; R84-E94 WeakPolarHBondContact CG-O 3.47Å; R84-E94 PolarHBondContact N-O 2.94Å; R84-C96 WeakPolarHBondContact CG-SG 3.07Å
85	S	96.8	Very high	94.7	Very high	6 Å²	6	53.4 Å²	53.4	4%	0.042	27%	0.269	C	S	.	.	P	Polyproline II helix	trans	-57.3	140.1	176	172.6	0	0	0	0	111.1	V83 K87 L88 D163 E164	V83-S85 PolarHBondContact O-N 3.48Å; S85-K87 PolarHBondContact O-N 3.3Å; S85-K87 VanDerWaalsContact O-N 3.07Å; S85-K87 WeakPolarHBondContact OG-CB 3.48Å; S85-K87 PolarHBondContact OG-N 3.45Å; S85-L88 PolarHBondContact O-N 3.12Å; S85-L88 VanDerWaalsContact O-N 3.1Å; S85-D163 VanDerWaalsContact CB-O 3.28Å; S85-D163 WeakPolarHBondContact CB-O 3.21Å; S85-D163 PolarHBondContact OG-O 2.81Å; S85-E164 VanDerWaalsContact CB-C 3.42Å; S85-E164 VanDerWaalsContact CB-O 3.3Å; S85-E164 WeakPolarHBondContact CB-O 3.33Å; S85-E164 PolarHBondContact N-O 3.49Å
86	D	95.1	Very high	95	Very high	103 Å²	103	52.3 Å²	52.3	55%	0.551	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-12.9	175	-62.1	-47	0	0	0	111.9	K166	D86-K166 IonicContact OD1-NZ 3.59Å; D86-K166 IonicContact OD2-NZ 2.88Å; D86-K166 PolarHBondContact OD2-NZ 2.96Å
87	K	93.3	Very high	95.2	Very high	136 Å²	136	48 Å²	48	59%	0.591	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.2	-16.9	176.6	-59.1	169.9	-178.4	164.2	0	113.4	S85 A162 D163	S85-K87 PolarHBondContact O-N 3.3Å; S85-K87 VanDerWaalsContact O-N 3.07Å; S85-K87 WeakPolarHBondContact OG-CB 3.48Å; S85-K87 PolarHBondContact OG-N 3.45Å; K87-A162 PolarHBondContact NZ-O 2.94Å; K87-D163 IonicContact NZ-OD1 3.23Å; K87-D163 PolarHBondContact NZ-OD1 2.79Å
88	L	90.2	Very high	95.2	Very high	43 Å²	43	47.6 Å²	47.6	23%	0.225	23%	0.234	C	C	.	.			trans	-75.6	143.6	-174.4	-67.6	179.3	0	0	0	111.8	R84 S85 E164	R84-L88 HydrophobicContact CB-CD1 4.18Å; S85-L88 PolarHBondContact O-N 3.12Å; S85-L88 VanDerWaalsContact O-N 3.1Å; L88-E164 VanDerWaalsContact CD1-O 3.31Å; L88-E164 WeakPolarHBondContact CD1-O 3.34Å; L88-E164 HydrophobicContact CD2-CG 4.46Å
89	K	89.4	Confident	95.2	Very high	220 Å²	220	46.3 Å²	46.3	96%	0.957	23%	0.232	S	C	*	.	S	Bend	trans	-70.4	-32.9	179	-67.9	-177.6	-179.9	177	0	113.2
90	R	84	Confident	95.1	Very high	95 Å²	95	47 Å²	47	36%	0.358	24%	0.239	S	C	.	.	S	Bend	trans	-107.6	126.3	-177.4	-177	-178.9	177	135.5	12	109.2	R84 D140	R84-R90 PolarHBondContact NE-O 3.12Å; R84-R90 PolarHBondContact NH2-O 2.83Å; R90-D140 IonicContact CZ-OD2 3.92Å; R90-D140 IonicContact NH1-OD2 2.93Å; R90-D140 PolarHBondContact NH1-OD2 3.47Å; R90-D140 IonicContact NH2-OD1 3.64Å; R90-D140 IonicContact NH2-OD2 2.95Å; R90-D140 PolarHBondContact NH2-OD2 3.38Å
91	E	83.6	Confident	95	Very high	77 Å²	77	52.6 Å²	52.6	36%	0.36	26%	0.263	S	S	.	.	S	Bend	trans	52.4	50.9	170	-66.8	158.1	-162.7	0	0	113.1	R84 G93 E94	R84-E91 WeakPolarHBondContact CB-O 3.49Å; R84-E91 VanDerWaalsContact CD-O 3.27Å; R84-E91 WeakPolarHBondContact CD-O 3.16Å; R84-E91 PolarHBondContact NE-O 2.73Å; E91-G93 PolarHBondContact O-N 3.29Å; E91-E94 HydrophobicContact CB-CB 4.12Å; E91-E94 HydrophobicContact CB-CG 3.84Å; E91-E94 WeakPolarHBondContact CB-OE2 3.45Å; E91-E94 HydrophobicContact CG-CG 4.48Å; E91-E94 WeakPolarHBondContact CG-OE2 3.41Å; E91-E94 PolarHBondContact O-N 3.22Å
92	P	90.7	Very high	94.9	Very high	70 Å²	70	56.3 Å²	56.3	46%	0.455	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	136	179.1	27.1	-34.2	0	0	0	111	E94	P92-E94 PolarHBondContact O-N 3.39Å
93	G	95.3	Very high	94.9	Very high	33 Å²	33	59.4 Å²	59.4	34%	0.34	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.9	-1.7	-179.7	0	0	0	0	0	115.4	R84 E91	R84-G93 VanDerWaalsContact O-CA 3.29Å; R84-G93 WeakPolarHBondContact O-CA 3.37Å; R84-G93 PolarHBondContact O-N 2.96Å; E91-G93 PolarHBondContact O-N 3.29Å
94	E	96.7	Very high	94.8	Very high	84 Å²	84	65.1 Å²	65.1	39%	0.393	33%	0.331	S	S	.	.			trans	-73.4	149.5	177.5	-68.1	-160.7	169.2	0	0	112.4	R84 E91 P92	R84-E94 WeakPolarHBondContact CG-O 3.47Å; R84-E94 PolarHBondContact N-O 2.94Å; E91-E94 HydrophobicContact CB-CB 4.12Å; E91-E94 HydrophobicContact CB-CG 3.84Å; E91-E94 WeakPolarHBondContact CB-OE2 3.45Å; E91-E94 HydrophobicContact CG-CG 4.48Å; E91-E94 WeakPolarHBondContact CG-OE2 3.41Å; E91-E94 PolarHBondContact O-N 3.22Å; P92-E94 PolarHBondContact O-N 3.39Å
95	V	98.5	Very high	94.7	Very high	15 Å²	15	68.6 Å²	68.6	9%	0.091	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	123.4	171.7	174.8	0	0	0	0	109.6	F81 T82 V83 F169 L211 I212 T216	F81-V95 HydrophobicContact CB-CG1 3.91Å; F81-V95 HydrophobicContact CD1-CG1 3.91Å; F81-V95 HydrophobicContact CG-CG1 4.09Å; T82-V95 WeakPolarHBondContact O-CA 3.25Å; V83-V95 HydrophobicContact CG2-CG2 4.36Å; V95-F169 HydrophobicContact CB-CZ 4.46Å; V95-F169 HydrophobicContact CG1-CE1 3.97Å; V95-F169 HydrophobicContact CG1-CZ 3.61Å; V95-F169 HydrophobicContact CG2-CE1 4.08Å; V95-F169 HydrophobicContact CG2-CZ 3.94Å; V95-L211 WeakPolarHBondContact CG2-O 3.41Å; V95-I212 HydrophobicContact CG1-CB 4.45Å; V95-I212 HydrophobicContact CG1-CG1 3.85Å; V95-I212 HydrophobicContact CG1-CG2 4.33Å; V95-T216 HydrophobicContact CG1-CG2 4.47Å; V95-T216 PolarHBondContact O-OG1 3.29Å
96	C	98.2	Very high	94.8	Very high	20 Å²	20	68.8 Å²	68.8	14%	0.135	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	168.8	175.8	57.9	0	0	0	0	112.5	F81 T82 R84	F81-C96 WeakPolarHBondContact CA-O 3.47Å; T82-C96 PolarHBondContact N-O 2.88Å; T82-C96 PolarHBondContact O-N 3.02Å; T82-C96 PolarHBondContact OG1-O 3.37Å; T82-C96 PolarHBondContact OG1-SG 3.27Å; R84-C96 WeakPolarHBondContact CG-SG 3.07Å
97	F	98.7	Very high	94.8	Very high	6 Å²	6	69.4 Å²	69.4	3%	0.026	37%	0.365	C	S	.	.			trans	-78.1	152.2	159.6	-73.8	-59.3	0	0	0	109.5	V66 L67 V68 L79 M80 F81 G99 T216 L219 A220	V66-F97 HydrophobicContact CB-CB 4.12Å; L67-F97 WeakPolarHBondContact O-CB 3.38Å; V68-F97 HydrophobicContact CG1-CD1 4.4Å; V68-F97 HydrophobicContact CG1-CE1 3.83Å; V68-F97 HydrophobicContact CG1-CE2 4.3Å; V68-F97 HydrophobicContact CG1-CZ 3.77Å; V68-F97 HydrophobicContact CG2-CD2 4.16Å; V68-F97 HydrophobicContact CG2-CE2 4.23Å; V68-F97 HydrophobicContact CG2-CG 4.36Å; V68-F97 HydrophobicContact CG2-CZ 4.49Å; L79-F97 HydrophobicContact CB-CE1 4.44Å; L79-F97 HydrophobicContact CD1-CZ 4.3Å; L79-F97 HydrophobicContact CD2-CE1 4.22Å; L79-F97 HydrophobicContact CD2-CZ 4.47Å; M80-F97 WeakPolarHBondContact O-CD1 2.97Å; F81-F97 HydrophobicContact CD1-CD1 4.02Å; F81-F97 AromaticContact CD1-CE1 3.78Å; F81-F97 HydrophobicContact CD1-CE1 3.78Å; F81-F97 HydrophobicContact CD1-CZ 4.18Å; F81-F97 AromaticContact CE1-CD1 3.97Å; F81-F97 HydrophobicContact CE1-CD1 3.97Å; F81-F97 AromaticContact CE1-CE1 3.3Å; F81-F97 HydrophobicContact CE1-CE1 3.3Å; F81-F97 AromaticContact CE1-CE2 3.99Å; F81-F97 HydrophobicContact CE1-CE2 3.99Å; F81-F97 AromaticContact CE1-CZ 3.32Å; F81-F97 HydrophobicContact CE1-CZ 3.32Å; F81-F97 AromaticContact CZ-CE1 3.74Å; F81-F97 HydrophobicContact CZ-CE1 3.74Å; F81-F97 AromaticContact CZ-CZ 3.75Å; F81-F97 HydrophobicContact CZ-CZ 3.75Å; F97-G99 PolarHBondContact O-N 3.48Å; F97-T216 HydrophobicContact CD2-CG2 4.09Å; F97-T216 HydrophobicContact CE2-CG2 4.08Å; F97-L219 HydrophobicContact CD2-CB 4.4Å; F97-L219 HydrophobicContact CD2-CD1 4.27Å; F97-L219 HydrophobicContact CE2-CB 3.76Å; F97-L219 HydrophobicContact CE2-CD1 4.44Å; F97-A220 HydrophobicContact CZ-CB 4.29Å
98	P	98.6	Very high	95	Very high	0 Å²	0	66.3 Å²	66.3	0%	0	36%	0.355	C	S	.	.	S	Bend	trans	-57.5	136.3	171.9	-18	26.9	0	0	0	111.3	V66 L67 P69 M80 T82 A117 E120	V66-P98 CarbonylContact C-O 3.57Å; V66-P98 WeakPolarHBondContact CA-O 3.39Å; L67-P98 PolarHBondContact N-O 2.85Å; P69-P98 HydrophobicContact CG-CG 4.2Å; M80-P98 HydrophobicContact CE-CG 3.49Å; M80-P98 VanDerWaalsContact CE-CG 3.49Å; T82-P98 HydrophobicContact CG2-CG 3.96Å; P98-A117 HydrophobicContact CB-CB 4.01Å; P98-E120 VanDerWaalsContact CA-OE2 3.24Å; P98-E120 WeakPolarHBondContact CA-OE2 3.48Å
99	G	98.2	Very high	95.4	Very high	11 Å²	11	64.8 Å²	64.8	11%	0.113	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	156.8	169.1	-179.9	0	0	0	0	0	114.3	S65 F97 E120	S65-G99 CarbonylContact O-C 3.5Å; S65-G99 WeakPolarHBondContact O-CA 3.32Å; F97-G99 PolarHBondContact O-N 3.48Å; G99-E120 PolarHBondContact N-OE1 2.86Å
100	G	96.8	Very high	95.8	Very high	14 Å²	14	55.4 Å²	55.4	14%	0.144	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-171.3	-161.7	-173.1	0	0	0	0	0	112.7	F64 S65 E116	F64-G100 CarbonylContact C-O 3.56Å; F64-G100 WeakPolarHBondContact CA-O 3.15Å; F64-G100 WeakPolarHBondContact CB-O 3.18Å; F64-G100 WeakPolarHBondContact CD1-O 3.39Å; S65-G100 PolarHBondContact N-O 3.39Å; S65-G100 PolarHBondContact O-N 3.01Å; S65-G100 VanDerWaalsContact O-N 3.08Å; G100-E116 VanDerWaalsContact CA-CD 3.44Å
101	K	97	Very high	96.5	Very high	118 Å²	118	52 Å²	52	51%	0.513	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	142.4	-173.9	-167.5	175.3	-178.4	178.4	0	109.2	F64 D103 R115 E116	F64-K101 HydrophobicContact CD1-CB 3.87Å; F64-K101 HydrophobicContact CD1-CG 4.37Å; F64-K101 HydrophobicContact CD2-CG 4.46Å; F64-K101 HydrophobicContact CE1-CB 3.56Å; F64-K101 HydrophobicContact CE1-CD 4.43Å; F64-K101 HydrophobicContact CE1-CG 3.96Å; F64-K101 HydrophobicContact CE2-CD 4.4Å; F64-K101 HydrophobicContact CE2-CG 4.06Å; F64-K101 HydrophobicContact CG-CB 4.48Å; F64-K101 HydrophobicContact CZ-CB 3.93Å; F64-K101 HydrophobicContact CZ-CD 3.96Å; F64-K101 HydrophobicContact CZ-CG 3.8Å; K101-D103 PolarHBondContact O-N 3.14Å; K101-R115 PolarHBondContact O-NH2 2.91Å; K101-E116 PolarHBondContact N-OE1 2.85Å
102	R	97.7	Very high	97.3	Very high	77 Å²	77	48.3 Å²	48.3	29%	0.291	28%	0.283	S	S	.	.	P	Polyproline II helix	trans	-62.6	129.3	172.4	-178.8	165.2	-178.3	168.6	-1.4	111.1	K63 D106 T107 D109 T112	K63-R102 HydrophobicContact CB-CB 3.98Å; K63-R102 WeakPolarHBondContact O-CB 3.49Å; K63-R102 PolarHBondContact O-N 3.09Å; R102-D106 HydrophobicContact CG-CB 4.07Å; R102-D106 PolarHBondContact NE-O 3.35Å; R102-D106 PolarHBondContact NH2-O 3.3Å; R102-T107 PolarHBondContact NH2-O 3.31Å; R102-T107 VanDerWaalsContact NH2-O 3.12Å; R102-D109 IonicContact NH1-OD1 2.78Å; R102-D109 PolarHBondContact NH1-OD1 3.24Å; R102-T112 HydrophobicContact CB-CG2 4.2Å; R102-T112 WeakPolarHBondContact CG-OG1 3.27Å
103	D	97.2	Very high	97.6	Very high	67 Å²	67	45 Å²	45	36%	0.358	26%	0.261	S	S	.	.	P	Polyproline II helix	trans	-89.4	146.6	170.3	-168.9	-68.9	0	0	0	109.9	K101 V105 D106	K101-D103 PolarHBondContact O-N 3.14Å; D103-V105 HydrophobicContact CB-CG2 4.18Å; D103-V105 PolarHBondContact O-N 3.33Å; D103-V105 VanDerWaalsContact O-N 3.09Å; D103-V105 WeakPolarHBondContact OD1-CG2 3.42Å; D103-V105 PolarHBondContact OD1-N 3.13Å; D103-D106 PolarHBondContact N-OD2 3.26Å; D103-D106 WeakPolarHBondContact O-CB 3.23Å; D103-D106 PolarHBondContact O-N 3.42Å
104	P	96.3	Very high	97.8	Very high	132 Å²	132	44.8 Å²	44.8	86%	0.857	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-47.8	-27.8	169.4	-31.1	35.8	0	0	0	116.2
105	V	96.6	Very high	97.9	Very high	113 Å²	113	43.1 Å²	43.1	69%	0.685	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79	-17.8	178.3	-53.6	0	0	0	0	113.5	D103 T107	D103-V105 HydrophobicContact CB-CG2 4.18Å; D103-V105 PolarHBondContact O-N 3.33Å; D103-V105 VanDerWaalsContact O-N 3.09Å; D103-V105 WeakPolarHBondContact OD1-CG2 3.42Å; D103-V105 PolarHBondContact OD1-N 3.13Å; V105-T107 PolarHBondContact O-N 3.27Å
106	D	98	Very high	97.9	Very high	11 Å²	11	43.4 Å²	43.4	6%	0.059	24%	0.243	C	C	.	.			trans	-70.1	121.3	-178.3	-64.7	-30	0	0	0	110.2	R102 D103 D108 A111 T112 R115	R102-D106 HydrophobicContact CG-CB 4.07Å; R102-D106 PolarHBondContact NE-O 3.35Å; R102-D106 PolarHBondContact NH2-O 3.3Å; D103-D106 PolarHBondContact N-OD2 3.26Å; D103-D106 WeakPolarHBondContact O-CB 3.23Å; D103-D106 PolarHBondContact O-N 3.42Å; D106-D108 VanDerWaalsContact C-N 3.32Å; D106-D108 PolarHBondContact O-N 2.8Å; D106-A111 HydrophobicContact CB-CB 4.16Å; D106-T112 WeakPolarHBondContact CB-OG1 3.38Å; D106-T112 VanDerWaalsContact CG-OG1 3.28Å; D106-T112 WeakPolarHBondContact OD2-CA 3.05Å; D106-T112 WeakPolarHBondContact OD2-CB 3.44Å; D106-T112 PolarHBondContact OD2-OG1 3.25Å; D106-R115 IonicContact OD1-CZ 3.73Å; D106-R115 IonicContact OD1-NE 2.73Å; D106-R115 PolarHBondContact OD1-NE 3.4Å; D106-R115 IonicContact OD1-NH2 2.96Å; D106-R115 IonicContact OD2-CZ 3.29Å; D106-R115 IonicContact OD2-NE 3.16Å; D106-R115 PolarHBondContact OD2-NE 2.81Å; D106-R115 IonicContact OD2-NH2 2.75Å; D106-R115 PolarHBondContact OD2-NH2 2.89Å
107	T	97.1	Very high	97.9	Very high	116 Å²	116	42.5 Å²	42.5	71%	0.712	24%	0.236	S	C	*	.	S	Bend	trans	-65.8	-35.8	-177.4	52	0	0	0	0	112.5	R102 V105	R102-T107 PolarHBondContact NH2-O 3.31Å; R102-T107 VanDerWaalsContact NH2-O 3.12Å; V105-T107 PolarHBondContact O-N 3.27Å
108	D	97.3	Very high	97.9	Very high	71 Å²	71	46 Å²	46	38%	0.38	25%	0.253	S	S	.	.	S	Bend	trans	-154.6	-176.9	179.8	57.2	41.6	0	0	0	111	D106 T110 A111 T112	D106-D108 VanDerWaalsContact C-N 3.32Å; D106-D108 PolarHBondContact O-N 2.8Å; D108-T110 VanDerWaalsContact C-N 3.25Å; D108-T110 PolarHBondContact O-N 3.05Å; D108-T110 WeakPolarHBondContact OD1-CA 3.23Å; D108-T110 VanDerWaalsContact OD1-CB 3.27Å; D108-T110 WeakPolarHBondContact OD1-CB 3.34Å; D108-T110 PolarHBondContact OD1-N 3.07Å; D108-A111 PolarHBondContact O-N 3.34Å; D108-A111 PolarHBondContact OD1-N 3.1Å; D108-T112 PolarHBondContact O-N 2.77Å; D108-T112 PolarHBondContact O-OG1 2.92Å
109	D	97.9	Very high	97.9	Very high	10 Å²	10	50.1 Å²	50.1	5%	0.053	27%	0.272	C	S	.	.	H	α-helix	trans	-71.1	-22.2	-177.3	-57.8	-29.2	0	0	0	112	S57 K63 S65 R102 A113 T146	S57-D109 WeakPolarHBondContact CB-OD2 3.38Å; K63-D109 IonicContact NZ-OD1 2.81Å; K63-D109 PolarHBondContact NZ-OD1 3.36Å; K63-D109 IonicContact NZ-OD2 2.76Å; K63-D109 PolarHBondContact NZ-OD2 2.98Å; S65-D109 WeakPolarHBondContact CB-O 3.19Å; S65-D109 PolarHBondContact OG-O 3.43Å; R102-D109 IonicContact NH1-OD1 2.78Å; R102-D109 PolarHBondContact NH1-OD1 3.24Å; D109-A113 PolarHBondContact O-N 2.73Å; D109-T146 HydrophobicContact CB-CG2 4.18Å
110	T	98.6	Very high	97.9	Very high	24 Å²	24	50.1 Å²	50.1	15%	0.147	27%	0.269	C	S	.	.	H	α-helix	trans	-71.2	-44.2	171.2	-69.3	0	0	0	0	111.1	D108 T112 A113 L114 V130 H133	D108-T110 VanDerWaalsContact C-N 3.25Å; D108-T110 PolarHBondContact O-N 3.05Å; D108-T110 WeakPolarHBondContact OD1-CA 3.23Å; D108-T110 VanDerWaalsContact OD1-CB 3.27Å; D108-T110 WeakPolarHBondContact OD1-CB 3.34Å; D108-T110 PolarHBondContact OD1-N 3.07Å; T110-T112 VanDerWaalsContact C-N 3.26Å; T110-T112 PolarHBondContact O-N 2.96Å; T110-A113 PolarHBondContact O-N 3.35Å; T110-A113 VanDerWaalsContact O-N 3.12Å; T110-L114 HydrophobicContact CG2-CD1 3.75Å; T110-L114 HydrophobicContact CG2-CG 4.06Å; T110-L114 WeakPolarHBondContact O-CG 3.27Å; T110-L114 PolarHBondContact O-N 3.31Å; T110-V130 HydrophobicContact CG2-CG1 4.41Å; T110-V130 HydrophobicContact CG2-CG2 3.98Å; T110-H133 PolarHBondContact OG1-CE1 2.86Å; T110-H133 PolarHBondContact OG1-NE2 3.21Å
111	A	98.6	Very high	98	Very high	23 Å²	23	49.4 Å²	49.4	19%	0.19	26%	0.262	C	S	.	.	H	α-helix	trans	-56.3	-43.2	176.5	0	0	0	0	0	111.2	D106 D108 L114 R115	D106-A111 HydrophobicContact CB-CB 4.16Å; D108-A111 PolarHBondContact O-N 3.34Å; D108-A111 PolarHBondContact OD1-N 3.1Å; A111-L114 PolarHBondContact O-N 3.07Å; A111-R115 WeakPolarHBondContact O-CB 3.45Å; A111-R115 PolarHBondContact O-N 2.87Å
112	T	98.7	Very high	98.1	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-57.5	-52.9	172.5	-57.4	0	0	0	0	112.1	R102 D106 D108 T110 L114 R115 E116	R102-T112 HydrophobicContact CB-CG2 4.2Å; R102-T112 WeakPolarHBondContact CG-OG1 3.27Å; D106-T112 WeakPolarHBondContact CB-OG1 3.38Å; D106-T112 VanDerWaalsContact CG-OG1 3.28Å; D106-T112 WeakPolarHBondContact OD2-CA 3.05Å; D106-T112 WeakPolarHBondContact OD2-CB 3.44Å; D106-T112 PolarHBondContact OD2-OG1 3.25Å; D108-T112 PolarHBondContact O-N 2.77Å; D108-T112 PolarHBondContact O-OG1 2.92Å; T110-T112 VanDerWaalsContact C-N 3.26Å; T110-T112 PolarHBondContact O-N 2.96Å; T112-L114 VanDerWaalsContact C-N 3.28Å; T112-L114 PolarHBondContact O-N 3.12Å; T112-R115 PolarHBondContact O-N 2.84Å; T112-E116 HydrophobicContact CG2-CG 4.31Å; T112-E116 WeakPolarHBondContact O-CB 3.33Å; T112-E116 WeakPolarHBondContact O-CG 3.44Å; T112-E116 PolarHBondContact O-N 2.74Å
113	A	98.8	Very high	98.2	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-60.6	-38.1	-178	0	0	0	0	0	112.5	L67 D109 T110 A117 V148	L67-A113 HydrophobicContact CB-CB 4.3Å; D109-A113 PolarHBondContact O-N 2.73Å; T110-A113 PolarHBondContact O-N 3.35Å; T110-A113 VanDerWaalsContact O-N 3.12Å; A113-A117 VanDerWaalsContact O-CB 3.27Å; A113-A117 WeakPolarHBondContact O-CB 3.14Å; A113-A117 PolarHBondContact O-N 3.1Å; A113-A117 VanDerWaalsContact O-N 3.07Å; A113-V148 HydrophobicContact CB-CB 3.96Å; A113-V148 HydrophobicContact CB-CG1 4.49Å; A113-V148 HydrophobicContact CB-CG2 3.81Å
114	L	98.8	Very high	98.2	Very high	29 Å²	29	41.8 Å²	41.8	15%	0.152	23%	0.234	C	C	.	.	H	α-helix	trans	-74.5	-40.1	180	-66.3	-178.4	0	0	0	112.7	T110 A111 T112 Q118 P125 V128 V130	T110-L114 HydrophobicContact CG2-CD1 3.75Å; T110-L114 HydrophobicContact CG2-CG 4.06Å; T110-L114 WeakPolarHBondContact O-CG 3.27Å; T110-L114 PolarHBondContact O-N 3.31Å; A111-L114 PolarHBondContact O-N 3.07Å; T112-L114 VanDerWaalsContact C-N 3.28Å; T112-L114 PolarHBondContact O-N 3.12Å; L114-Q118 WeakPolarHBondContact O-CB 3.38Å; L114-Q118 PolarHBondContact O-N 2.93Å; L114-P125 HydrophobicContact CD1-CB 4.42Å; L114-V128 HydrophobicContact CD2-CG1 3.44Å; L114-V128 VanDerWaalsContact CD2-CG1 3.44Å; L114-V130 HydrophobicContact CD1-CG2 4.46Å; L114-V130 HydrophobicContact CD2-CG2 4.13Å
115	R	98.7	Very high	98.3	Very high	48 Å²	48	38.6 Å²	38.6	18%	0.181	21%	0.214	C	C	.	.	H	α-helix	trans	-60.5	-52.4	175.4	176	-177	53.9	68.2	3.8	110.5	K101 D106 A111 T112 A117 Q118 E119	K101-R115 PolarHBondContact O-NH2 2.91Å; D106-R115 IonicContact OD1-CZ 3.73Å; D106-R115 IonicContact OD1-NE 2.73Å; D106-R115 PolarHBondContact OD1-NE 3.4Å; D106-R115 IonicContact OD1-NH2 2.96Å; D106-R115 IonicContact OD2-CZ 3.29Å; D106-R115 IonicContact OD2-NE 3.16Å; D106-R115 PolarHBondContact OD2-NE 2.81Å; D106-R115 IonicContact OD2-NH2 2.75Å; D106-R115 PolarHBondContact OD2-NH2 2.89Å; A111-R115 WeakPolarHBondContact O-CB 3.45Å; A111-R115 PolarHBondContact O-N 2.87Å; T112-R115 PolarHBondContact O-N 2.84Å; R115-A117 VanDerWaalsContact C-N 3.35Å; R115-A117 PolarHBondContact O-N 2.82Å; R115-Q118 WeakPolarHBondContact O-CB 3.21Å; R115-Q118 PolarHBondContact O-N 2.8Å; R115-Q118 VanDerWaalsContact O-N 3.07Å; R115-E119 WeakPolarHBondContact CD-OE1 3.14Å; R115-E119 HydrophobicContact CG-CG 4.47Å; R115-E119 VanDerWaalsContact CG-OE1 3.23Å; R115-E119 WeakPolarHBondContact CG-OE1 3.46Å; R115-E119 IonicContact NH1-OE1 3.77Å; R115-E119 IonicContact NH1-OE2 2.91Å; R115-E119 PolarHBondContact NH1-OE2 2.82Å; R115-E119 WeakPolarHBondContact O-CG 3.36Å; R115-E119 PolarHBondContact O-N 3.38Å
116	E	98.6	Very high	98.3	Very high	22 Å²	22	40.7 Å²	40.7	10%	0.103	22%	0.216	C	C	.	.	H	α-helix	trans	-61.3	-43.3	-179.4	-64.4	-78.7	173.1	0	0	110.9	G100 K101 T112 Q118 E119 E120	G100-E116 VanDerWaalsContact CA-CD 3.44Å; K101-E116 PolarHBondContact N-OE1 2.85Å; T112-E116 HydrophobicContact CG2-CG 4.31Å; T112-E116 WeakPolarHBondContact O-CB 3.33Å; T112-E116 WeakPolarHBondContact O-CG 3.44Å; T112-E116 PolarHBondContact O-N 2.74Å; E116-Q118 VanDerWaalsContact C-N 3.28Å; E116-Q118 PolarHBondContact O-N 2.92Å; E116-E119 PolarHBondContact O-N 3.45Å; E116-E120 WeakPolarHBondContact O-CB 3.34Å; E116-E120 WeakPolarHBondContact O-CG 3.24Å; E116-E120 PolarHBondContact O-N 2.79Å
117	A	98.8	Very high	98.4	Very high	0 Å²	0	42 Å²	42	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-63.4	-33.5	175.4	0	0	0	0	0	113	L67 P98 A113 R115 V121 L123	L67-A117 HydrophobicContact CB-CB 4.39Å; L67-A117 HydrophobicContact CD2-CB 3.72Å; P98-A117 HydrophobicContact CB-CB 4.01Å; A113-A117 VanDerWaalsContact O-CB 3.27Å; A113-A117 WeakPolarHBondContact O-CB 3.14Å; A113-A117 PolarHBondContact O-N 3.1Å; A113-A117 VanDerWaalsContact O-N 3.07Å; R115-A117 VanDerWaalsContact C-N 3.35Å; R115-A117 PolarHBondContact O-N 2.82Å; A117-V121 WeakPolarHBondContact O-CG2 3.37Å; A117-V121 PolarHBondContact O-N 2.55Å; A117-V121 VanDerWaalsContact O-N 3.1Å; A117-L123 HydrophobicContact CB-CB 4.33Å; A117-L123 HydrophobicContact CB-CD2 4.09Å; A117-L123 PolarHBondContact O-N 2.82Å
118	Q	98.7	Very high	98.4	Very high	79 Å²	79	37.1 Å²	37.1	37%	0.369	19%	0.192	S	C	.	.	H	α-helix	trans	-68.5	-43.7	174	-170.1	179.3	-29.6	0	0	111.6	L114 R115 E116 G122 L123 H124	L114-Q118 WeakPolarHBondContact O-CB 3.38Å; L114-Q118 PolarHBondContact O-N 2.93Å; R115-Q118 WeakPolarHBondContact O-CB 3.21Å; R115-Q118 PolarHBondContact O-N 2.8Å; R115-Q118 VanDerWaalsContact O-N 3.07Å; E116-Q118 VanDerWaalsContact C-N 3.28Å; E116-Q118 PolarHBondContact O-N 2.92Å; Q118-G122 WeakPolarHBondContact O-CA 3.44Å; Q118-G122 PolarHBondContact O-N 2.91Å; Q118-L123 WeakPolarHBondContact CA-O 3.38Å; Q118-L123 VanDerWaalsContact CB-O 3.32Å; Q118-L123 WeakPolarHBondContact CB-O 3.5Å; Q118-H124 PolarHBondContact NE2-ND1 3.5Å
119	E	98.3	Very high	98.5	Very high	88 Å²	88	37.8 Å²	37.8	41%	0.411	19%	0.192	S	C	.	.	H	α-helix	trans	-64.6	-43.4	179	-72.5	166.9	179.1	0	0	111.9	R115 E116 N161	R115-E119 WeakPolarHBondContact CD-OE1 3.14Å; R115-E119 HydrophobicContact CG-CG 4.47Å; R115-E119 VanDerWaalsContact CG-OE1 3.23Å; R115-E119 WeakPolarHBondContact CG-OE1 3.46Å; R115-E119 IonicContact NH1-OE1 3.77Å; R115-E119 IonicContact NH1-OE2 2.91Å; R115-E119 PolarHBondContact NH1-OE2 2.82Å; R115-E119 WeakPolarHBondContact O-CG 3.36Å; R115-E119 PolarHBondContact O-N 3.38Å; E116-E119 PolarHBondContact O-N 3.45Å; E119-N161 VanDerWaalsContact O-CB 3.23Å; E119-N161 WeakPolarHBondContact O-CB 3.42Å
120	E	98.5	Very high	98.5	Very high	10 Å²	10	39.6 Å²	39.6	5%	0.047	20%	0.203	C	C	.	.	H	α-helix	trans	-78.4	-42.7	-175	-77.8	-170	-167.2	0	0	113.6	P98 G99 E116 P160 N161 V165	P98-E120 VanDerWaalsContact CA-OE2 3.24Å; P98-E120 WeakPolarHBondContact CA-OE2 3.48Å; G99-E120 PolarHBondContact N-OE1 2.86Å; E116-E120 WeakPolarHBondContact O-CB 3.34Å; E116-E120 WeakPolarHBondContact O-CG 3.24Å; E116-E120 PolarHBondContact O-N 2.79Å; E120-P160 WeakPolarHBondContact O-CA 3.47Å; E120-N161 PolarHBondContact O-N 3.02Å; E120-V165 HydrophobicContact CB-CG2 3.71Å; E120-V165 HydrophobicContact CG-CG2 4.02Å
121	V	98.7	Very high	98.5	Very high	0 Å²	0	39 Å²	39	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-131.7	7.2	-169.2	-57.8	0	0	0	0	114.6	M80 T82 A117 L123 F156 A158 Q159 V165 V168	M80-V121 HydrophobicContact CE-CB 4.47Å; M80-V121 HydrophobicContact CE-CG1 4.32Å; M80-V121 HydrophobicContact CE-CG2 3.78Å; T82-V121 HydrophobicContact CG2-CG1 3.63Å; A117-V121 WeakPolarHBondContact O-CG2 3.37Å; A117-V121 PolarHBondContact O-N 2.55Å; A117-V121 VanDerWaalsContact O-N 3.1Å; V121-L123 VanDerWaalsContact C-N 3.27Å; V121-L123 HydrophobicContact CG2-CB 3.93Å; V121-L123 PolarHBondContact O-N 3.25Å; V121-F156 HydrophobicContact CG2-CZ 4.16Å; V121-A158 HydrophobicContact CB-CB 4.47Å; V121-Q159 CarbonylContact C-O 3.48Å; V121-Q159 VanDerWaalsContact C-O 3.3Å; V121-Q159 PolarHBondContact O-N 2.81Å; V121-V165 HydrophobicContact CG1-CG2 4.45Å; V121-V168 HydrophobicContact CB-CG2 4.42Å; V121-V168 HydrophobicContact CG1-CG2 3.58Å
122	G	98.5	Very high	98.5	Very high	18 Å²	18	38 Å²	38	19%	0.186	19%	0.191	C	C	.	.			trans	70.4	20.6	179.5	0	0	0	0	0	114.1	Q118 H124	Q118-G122 WeakPolarHBondContact O-CA 3.44Å; Q118-G122 PolarHBondContact O-N 2.91Å; G122-H124 PolarHBondContact O-N 3.42Å
123	L	98.7	Very high	98.5	Very high	2 Å²	2	39.4 Å²	39.4	1%	0.01	20%	0.198	C	C	.	.			trans	-77.7	104.3	179.4	-179.9	65.9	0	0	0	111	L67 A117 Q118 V121 Q127 V128 L152 F156	L67-L123 HydrophobicContact CD2-CD2 3.37Å; A117-L123 HydrophobicContact CB-CB 4.33Å; A117-L123 HydrophobicContact CB-CD2 4.09Å; A117-L123 PolarHBondContact O-N 2.82Å; Q118-L123 WeakPolarHBondContact CA-O 3.38Å; Q118-L123 VanDerWaalsContact CB-O 3.32Å; Q118-L123 WeakPolarHBondContact CB-O 3.5Å; V121-L123 VanDerWaalsContact C-N 3.27Å; V121-L123 HydrophobicContact CG2-CB 3.93Å; V121-L123 PolarHBondContact O-N 3.25Å; L123-Q127 HydrophobicContact CD1-CB 3.79Å; L123-V128 HydrophobicContact CD1-CB 4.43Å; L123-V128 HydrophobicContact CD2-CB 4.14Å; L123-V128 HydrophobicContact CD2-CG1 4.15Å; L123-V128 HydrophobicContact CG-CB 4.47Å; L123-V128 HydrophobicContact CG-CG1 4.31Å; L123-L152 HydrophobicContact CD1-CD2 3.67Å; L123-L152 HydrophobicContact CD2-CD2 3.53Å; L123-L152 HydrophobicContact CG-CD2 4.27Å; L123-F156 HydrophobicContact CB-CE2 3.77Å; L123-F156 HydrophobicContact CB-CZ 4.09Å; L123-F156 HydrophobicContact CD1-CD1 4.49Å; L123-F156 HydrophobicContact CD1-CD2 3.41Å; L123-F156 VanDerWaalsContact CD1-CD2 3.41Å; L123-F156 HydrophobicContact CD1-CE2 3.51Å; L123-F156 HydrophobicContact CD1-CG 3.94Å; L123-F156 HydrophobicContact CD1-CZ 4.08Å; L123-F156 HydrophobicContact CG-CE2 4.25Å
124	H	98.3	Very high	98.5	Very high	82 Å²	82	39.4 Å²	39.4	38%	0.38	20%	0.198	S	C	.	.			trans	-74	148.4	176.2	-69.7	-74.8	0	0	0	112	Q118 G122 H126 Q127	Q118-H124 PolarHBondContact NE2-ND1 3.5Å; G122-H124 PolarHBondContact O-N 3.42Å; H124-H126 WeakPolarHBondContact CB-CE1 3.47Å; H124-H126 WeakPolarHBondContact CB-ND1 3.45Å; H124-H126 AromaticContact CG-CE1 3.93Å; H124-H126 PolarHBondContact O-N 2.97Å; H124-Q127 HydrophobicContact CB-CG 4.26Å; H124-Q127 WeakPolarHBondContact O-CB 3.23Å; H124-Q127 PolarHBondContact O-N 3.32Å
125	P	97.9	Very high	98.4	Very high	65 Å²	65	38.2 Å²	38.2	42%	0.422	19%	0.192	S	C	.	.	G	3₁₀ helix	trans	-54.9	-30.4	-178.8	-30.5	35.7	0	0	0	115.6	L114 Q127 V128	L114-P125 HydrophobicContact CD1-CB 4.42Å; P125-Q127 PolarHBondContact O-N 3.49Å; P125-V128 PolarHBondContact O-N 2.94Å; P125-V128 VanDerWaalsContact O-O 3.1Å
126	H	97.7	Very high	98.3	Very high	157 Å²	157	36.1 Å²	36.1	73%	0.727	19%	0.185	S	C	*	.	G	3₁₀ helix	trans	-75.6	-11	178	69.6	-88.3	0	0	0	113.7	H124	H124-H126 WeakPolarHBondContact CB-CE1 3.47Å; H124-H126 WeakPolarHBondContact CB-ND1 3.45Å; H124-H126 AromaticContact CG-CE1 3.93Å; H124-H126 PolarHBondContact O-N 2.97Å
127	Q	98.4	Very high	98.1	Very high	37 Å²	37	36.8 Å²	36.8	17%	0.173	19%	0.186	C	C	.	.	G	3₁₀ helix	trans	-95.9	6.6	178.5	-57.2	178.2	-73.5	0	0	112	L123 H124 P125 L152 D153	L123-Q127 HydrophobicContact CD1-CB 3.79Å; H124-Q127 HydrophobicContact CB-CG 4.26Å; H124-Q127 WeakPolarHBondContact O-CB 3.23Å; H124-Q127 PolarHBondContact O-N 3.32Å; P125-Q127 PolarHBondContact O-N 3.49Å; Q127-L152 CarbonylContact O-C 3.59Å; Q127-L152 WeakPolarHBondContact O-CA 3.34Å; Q127-D153 HydrophobicContact CB-CB 4.39Å; Q127-D153 PolarHBondContact O-N 2.97Å
128	V	98.6	Very high	97.8	Very high	15 Å²	15	37.6 Å²	37.6	9%	0.091	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	127.7	178.4	57.9	0	0	0	0	111.1	L67 L114 L123 P125 F151 L152	L67-V128 HydrophobicContact CD1-CG2 4.38Å; L67-V128 HydrophobicContact CD2-CG2 4.49Å; L114-V128 HydrophobicContact CD2-CG1 3.44Å; L114-V128 VanDerWaalsContact CD2-CG1 3.44Å; L123-V128 HydrophobicContact CD1-CB 4.43Å; L123-V128 HydrophobicContact CD2-CB 4.14Å; L123-V128 HydrophobicContact CD2-CG1 4.15Å; L123-V128 HydrophobicContact CG-CB 4.47Å; L123-V128 HydrophobicContact CG-CG1 4.31Å; P125-V128 PolarHBondContact O-N 2.94Å; P125-V128 VanDerWaalsContact O-O 3.1Å; V128-F151 CarbonylContact C-O 3.53Å; V128-F151 VanDerWaalsContact CA-O 3.31Å; V128-F151 WeakPolarHBondContact CA-O 3.46Å; V128-L152 HydrophobicContact CB-CD2 4.34Å; V128-L152 HydrophobicContact CG2-CD2 4.31Å
129	E	98.4	Very high	97.3	Very high	85 Å²	85	35.5 Å²	35.5	40%	0.397	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	110.9	168.9	-178	-174.5	148.3	0	0	108.6	K44 R48 V131 G150 F151	K44-E129 WeakPolarHBondContact CE-OE1 3.48Å; K44-E129 IonicContact NZ-OE1 3.02Å; K44-E129 PolarHBondContact NZ-OE1 3.5Å; K44-E129 IonicContact NZ-OE2 2.71Å; K44-E129 PolarHBondContact NZ-OE2 3.29Å; R48-E129 IonicContact NH2-OE1 2.95Å; E129-V131 HydrophobicContact CG-CG2 4.41Å; E129-V131 WeakPolarHBondContact O-CG2 3.27Å; E129-G150 CarbonylContact O-C 3.6Å; E129-G150 WeakPolarHBondContact O-CA 3.28Å; E129-F151 PolarHBondContact N-O 2.71Å; E129-F151 PolarHBondContact O-N 3.19Å
130	V	98.7	Very high	96.5	Very high	47 Å²	47	35.8 Å²	35.8	29%	0.285	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	130.8	172.7	177.2	0	0	0	0	109.6	T110 L114 V148	T110-V130 HydrophobicContact CG2-CG1 4.41Å; T110-V130 HydrophobicContact CG2-CG2 3.98Å; L114-V130 HydrophobicContact CD1-CG2 4.46Å; L114-V130 HydrophobicContact CD2-CG2 4.13Å; V130-V148 HydrophobicContact CB-CG1 4.41Å; V130-V148 HydrophobicContact CG1-CG1 3.44Å; V130-V148 VanDerWaalsContact CG1-CG1 3.44Å; V130-V148 HydrophobicContact CG2-CG1 4.06Å
131	V	98.5	Very high	95.7	Very high	13 Å²	13	41.7 Å²	41.7	8%	0.079	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	-36.4	-170.4	-179.6	0	0	0	0	112.8	K44 L47 R48 E129 V149 F151	K44-V131 HydrophobicContact CB-CG1 4.07Å; K44-V131 HydrophobicContact CD-CG2 4.37Å; K44-V131 HydrophobicContact CG-CG1 4.01Å; K44-V131 HydrophobicContact CG-CG2 3.95Å; L47-V131 HydrophobicContact CB-CG1 3.91Å; L47-V131 HydrophobicContact CD1-CG1 4.29Å; R48-V131 HydrophobicContact CG-CG1 3.99Å; E129-V131 HydrophobicContact CG-CG2 4.41Å; E129-V131 WeakPolarHBondContact O-CG2 3.27Å; V131-V149 PolarHBondContact N-O 3.37Å; V131-F151 HydrophobicContact CG2-CD2 3.72Å; V131-F151 HydrophobicContact CG2-CE2 4.24Å
132	S	98.4	Very high	95.1	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.7	156	-178.8	63.1	0	0	0	0	112.9	L47 V149	L47-S132 WeakPolarHBondContact O-CB 3.36Å; S132-V149 PolarHBondContact N-O 2.93Å; S132-V149 PolarHBondContact O-N 2.89Å
133	H	98.6	Very high	94.8	Very high	30 Å²	30	43.4 Å²	43.4	14%	0.139	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	127.1	164	-58.3	78.9	0	0	0	108.2	D51 V52 T110 P147	D51-H133 WeakPolarHBondContact CA-O 3.26Å; D51-H133 PolarHBondContact OD1-N 2.85Å; D51-H133 IonicContact OD1-ND1 3.18Å; V52-H133 HydrophobicContact CG2-CB 4.47Å; V52-H133 WeakPolarHBondContact CG2-O 3.45Å; V52-H133 PolarHBondContact N-O 3.11Å; T110-H133 PolarHBondContact OG1-CE1 2.86Å; T110-H133 PolarHBondContact OG1-NE2 3.21Å; H133-P147 WeakPolarHBondContact CA-O 3.37Å
134	L	98.3	Very high	94.7	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	22%	0.222	C	C	.	.	P	Polyproline II helix	trans	-89.6	168.6	175.9	-54.5	-177.2	0	0	0	111	V52 P147 V149 L222 V223 I226	V52-L134 WeakPolarHBondContact CG2-O 3.47Å; L134-P147 HydrophobicContact CB-CB 4.07Å; L134-P147 HydrophobicContact CB-CG 4.09Å; L134-P147 HydrophobicContact CD1-CB 4.44Å; L134-P147 HydrophobicContact CG-CB 4.47Å; L134-P147 PolarHBondContact N-O 2.86Å; L134-V149 HydrophobicContact CD1-CG2 3.79Å; L134-V149 HydrophobicContact CD2-CG2 4.13Å; L134-V149 HydrophobicContact CG-CG2 3.73Å; L134-L222 HydrophobicContact CD1-CD2 4.12Å; L134-L222 HydrophobicContact CD1-CG 4.5Å; L134-V223 HydrophobicContact CD1-CG2 3.7Å; L134-I226 HydrophobicContact CD2-CD1 4.03Å
135	V	97	Very high	94.6	Very high	4 Å²	4	39.8 Å²	39.8	2%	0.024	21%	0.206	C	C	.	.	P	Polyproline II helix	trans	-54.7	128	174.2	-175.8	0	0	0	0	109.6	V52 I244 C247 E248 F251	V52-V135 HydrophobicContact CG1-CG2 3.93Å; V135-I244 HydrophobicContact CG2-CG2 4.18Å; V135-C247 HydrophobicContact CB-CB 4.06Å; V135-C247 HydrophobicContact CG1-CB 4.36Å; V135-C247 HydrophobicContact CG2-CB 3.82Å; V135-E248 HydrophobicContact CG1-CG 4.38Å; V135-E248 HydrophobicContact CG2-CG 3.67Å; V135-F251 HydrophobicContact CG1-CB 3.51Å; V135-F251 HydrophobicContact CG1-CD1 4.11Å; V135-F251 HydrophobicContact CG1-CG 3.85Å
136	P	97	Very high	94.7	Very high	5 Å²	5	37.1 Å²	37.1	3%	0.032	19%	0.188	C	C	.	.	P	Polyproline II helix	trans	-63.6	160.4	178.6	-23.6	33.9	0	0	0	113.5	Y56 V145 F251	Y56-P136 VanDerWaalsContact CD2-CD 3.45Å; Y56-P136 HydrophobicContact CD2-CG 4.07Å; Y56-P136 HydrophobicContact CG-CG 4.28Å; P136-V145 CarbonylContact C-O 3.46Å; P136-V145 WeakPolarHBondContact CA-O 3.37Å; P136-V145 WeakPolarHBondContact CB-O 3.28Å; P136-F251 HydrophobicContact CB-CD2 4.28Å; P136-F251 HydrophobicContact CB-CE2 3.88Å; P136-F251 HydrophobicContact CB-CZ 4.25Å; P136-F251 HydrophobicContact CG-CZ 4.45Å; P136-F251 WeakPolarHBondContact O-CD2 2.86Å; P136-F251 WeakPolarHBondContact O-CG 3.38Å
137	Y	94.4	Very high	94.7	Very high	36 Å²	36	29.6 Å²	29.6	14%	0.141	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	137.4	170.5	-78	-103.7	0	0	0	110.2	L144 V145 P147 M215 K218 L219	Y137-L144 WeakPolarHBondContact O-CA 3.37Å; Y137-V145 PolarHBondContact N-O 2.98Å; Y137-V145 PolarHBondContact O-N 2.86Å; Y137-P147 HydrophobicContact CD2-CG 4.46Å; Y137-M215 WeakPolarHBondContact CB-SD 3.34Å; Y137-M215 HydrophobicContact CD1-CG 4.21Å; Y137-M215 HydrophobicContact CD1-SD 4.34Å; Y137-M215 HydrophobicContact CG-CG 4.15Å; Y137-M215 HydrophobicContact CG-SD 3.91Å; Y137-K218 HydrophobicContact CE1-CD 4.42Å; Y137-L219 HydrophobicContact CD2-CD2 4.05Å; Y137-L219 HydrophobicContact CE2-CD2 3.5Å; Y137-L219 VanDerWaalsContact CE2-CD2 3.5Å; Y137-L219 HydrophobicContact CE2-CG 4.17Å
138	V	92.1	Very high	94.7	Very high	17 Å²	17	27.9 Å²	27.9	10%	0.103	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	128.2	169.6	-176.3	0	0	0	0	108.4	N141 A143 L144 F251 R254 Y255	V138-N141 WeakPolarHBondContact CG1-O 3.15Å; V138-A143 WeakPolarHBondContact CA-O 3.37Å; V138-L144 HydrophobicContact CB-CD2 4.34Å; V138-L144 HydrophobicContact CG2-CD2 3.66Å; V138-F251 HydrophobicContact CG2-CD2 3.87Å; V138-F251 HydrophobicContact CG2-CE2 3.71Å; V138-R254 HydrophobicContact CB-CB 4.07Å; V138-R254 HydrophobicContact CG2-CB 4.05Å; V138-Y255 HydrophobicContact CG2-CD2 4.38Å
139	F	88.2	Confident	94.7	Very high	35 Å²	35	27.1 Å²	27.1	15%	0.154	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	161.7	173.7	78.5	-73.6	0	0	0	110.1	F64 N141 A143 V145	F64-F139 HydrophobicContact CB-CE1 4.23Å; F64-F139 HydrophobicContact CB-CZ 4.27Å; F64-F139 HydrophobicContact CD1-CZ 4.1Å; F64-F139 AromaticContact CD2-CE1 3.71Å; F64-F139 HydrophobicContact CD2-CE1 3.71Å; F64-F139 AromaticContact CD2-CZ 3.36Å; F64-F139 HydrophobicContact CD2-CZ 3.36Å; F64-F139 HydrophobicContact CE1-CZ 4.27Å; F64-F139 HydrophobicContact CE2-CE1 4.28Å; F64-F139 HydrophobicContact CE2-CE2 4.46Å; F64-F139 AromaticContact CE2-CZ 3.57Å; F64-F139 HydrophobicContact CE2-CZ 3.57Å; F64-F139 HydrophobicContact CG-CE1 4.05Å; F64-F139 AromaticContact CG-CZ 3.66Å; F64-F139 HydrophobicContact CG-CZ 3.66Å; F64-F139 HydrophobicContact CZ-CZ 4.03Å; F139-N141 CarbonylContact O-C 3.59Å; F139-N141 PolarHBondContact O-N 2.84Å; F139-A143 HydrophobicContact CD1-CB 3.69Å; F139-A143 WeakPolarHBondContact CD1-O 3.42Å; F139-A143 HydrophobicContact CD2-CB 4.3Å; F139-A143 HydrophobicContact CE1-CB 3.34Å; F139-A143 HydrophobicContact CE2-CB 4.03Å; F139-A143 HydrophobicContact CG-CB 4.16Å; F139-A143 HydrophobicContact CZ-CB 3.56Å; F139-A143 PolarHBondContact N-O 3.42Å; F139-A143 WeakPolarHBondContact O-CA 3.39Å; F139-A143 WeakPolarHBondContact O-CB 3.25Å; F139-A143 PolarHBondContact O-N 3.28Å; F139-A143 VanDerWaalsContact O-N 3.11Å; F139-A143 VanDerWaalsContact O-O 3.13Å; F139-V145 HydrophobicContact CD1-CB 4.3Å; F139-V145 HydrophobicContact CD1-CG2 4.05Å; F139-V145 HydrophobicContact CE1-CB 4.2Å; F139-V145 HydrophobicContact CE1-CG2 3.6Å; F139-V145 HydrophobicContact CZ-CG2 4.2Å
140	D	81.8	Confident	94.8	Very high	93 Å²	93	23.1 Å²	23.1	50%	0.497	12%	0.122	S	C	.	.	T	Hydrogen-bonded Turn	trans	38.9	61.5	178.9	-64.9	-15.1	0	0	0	114.1	R90 D142	R90-D140 IonicContact CZ-OD2 3.92Å; R90-D140 IonicContact NH1-OD2 2.93Å; R90-D140 PolarHBondContact NH1-OD2 3.47Å; R90-D140 IonicContact NH2-OD1 3.64Å; R90-D140 IonicContact NH2-OD2 2.95Å; R90-D140 PolarHBondContact NH2-OD2 3.38Å; D140-D142 PolarHBondContact O-N 3.3Å
141	N	81.2	Confident	94.7	Very high	135 Å²	135	21.4 Å²	21.4	72%	0.722	11%	0.111	S	C	*	.	T	Hydrogen-bonded Turn	trans	68.8	-99.1	-173.3	-46.8	-38.3	0	0	0	112.1	V138 F139 S258	V138-N141 WeakPolarHBondContact CG1-O 3.15Å; F139-N141 CarbonylContact O-C 3.59Å; F139-N141 PolarHBondContact O-N 2.84Å; N141-S258 WeakPolarHBondContact O-CB 3.43Å; N141-S258 PolarHBondContact O-OG 3.4Å
142	D	86.3	Confident	94.7	Very high	53 Å²	53	21.4 Å²	21.4	28%	0.283	11%	0.111	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105	6.1	-168.8	77.3	-23.8	0	0	0	114.1	S60 D140	S60-D142 WeakPolarHBondContact CB-O 3.45Å; S60-D142 PolarHBondContact OG-O 3.29Å; D140-D142 PolarHBondContact O-N 3.3Å
143	A	92.8	Very high	94.6	Very high	1 Å²	1	24.2 Å²	24.2	1%	0.008	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	135	177.8	0	0	0	0	0	110.5	N62 F64 V138 F139	N62-A143 WeakPolarHBondContact ND2-CB 3.39Å; N62-A143 WeakPolarHBondContact O-CA 3.39Å; F64-A143 HydrophobicContact CD2-CB 4.41Å; F64-A143 HydrophobicContact CE2-CB 4.27Å; V138-A143 WeakPolarHBondContact CA-O 3.37Å; F139-A143 HydrophobicContact CD1-CB 3.69Å; F139-A143 WeakPolarHBondContact CD1-O 3.42Å; F139-A143 HydrophobicContact CD2-CB 4.3Å; F139-A143 HydrophobicContact CE1-CB 3.34Å; F139-A143 HydrophobicContact CE2-CB 4.03Å; F139-A143 HydrophobicContact CG-CB 4.16Å; F139-A143 HydrophobicContact CZ-CB 3.56Å; F139-A143 PolarHBondContact N-O 3.42Å; F139-A143 WeakPolarHBondContact O-CA 3.39Å; F139-A143 WeakPolarHBondContact O-CB 3.25Å; F139-A143 PolarHBondContact O-N 3.28Å; F139-A143 VanDerWaalsContact O-N 3.11Å; F139-A143 VanDerWaalsContact O-O 3.13Å
144	L	96	Very high	94.4	Very high	2 Å²	2	29.4 Å²	29.4	1%	0.01	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	123.4	178.4	-65.6	-173.6	0	0	0	110.4	L59 N62 F64 Y137 V138 F251 Y255	L59-L144 HydrophobicContact CB-CD1 3.81Å; N62-L144 PolarHBondContact O-N 2.78Å; F64-L144 PolarHBondContact N-O 3.13Å; F64-L144 VanDerWaalsContact O-O 3.09Å; Y137-L144 WeakPolarHBondContact O-CA 3.37Å; V138-L144 HydrophobicContact CB-CD2 4.34Å; V138-L144 HydrophobicContact CG2-CD2 3.66Å; L144-F251 HydrophobicContact CD2-CE2 3.72Å; L144-F251 HydrophobicContact CD2-CZ 4.28Å; L144-Y255 HydrophobicContact CD1-CE2 4.42Å; L144-Y255 HydrophobicContact CD2-CD2 4.16Å
145	V	97.2	Very high	94.2	Very high	5 Å²	5	34.4 Å²	34.4	3%	0.03	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	120.7	165.8	146.3	0	0	0	0	109	F64 V66 P136 Y137 F139 M215	F64-V145 HydrophobicContact CB-CG2 3.52Å; F64-V145 HydrophobicContact CG-CG2 4.44Å; F64-V145 CarbonylContact O-C 3.6Å; F64-V145 WeakPolarHBondContact O-CA 3.41Å; V66-V145 HydrophobicContact CG1-CG1 4.26Å; V66-V145 HydrophobicContact CG2-CG1 3.96Å; P136-V145 CarbonylContact C-O 3.46Å; P136-V145 WeakPolarHBondContact CA-O 3.37Å; P136-V145 WeakPolarHBondContact CB-O 3.28Å; Y137-V145 PolarHBondContact N-O 2.98Å; Y137-V145 PolarHBondContact O-N 2.86Å; F139-V145 HydrophobicContact CD1-CB 4.3Å; F139-V145 HydrophobicContact CD1-CG2 4.05Å; F139-V145 HydrophobicContact CE1-CB 4.2Å; F139-V145 HydrophobicContact CE1-CG2 3.6Å; F139-V145 HydrophobicContact CZ-CG2 4.2Å; V145-M215 HydrophobicContact CB-CE 4.1Å; V145-M215 HydrophobicContact CB-SD 4.24Å; V145-M215 HydrophobicContact CG1-CE 3.91Å; V145-M215 HydrophobicContact CG1-SD 4.04Å; V145-M215 HydrophobicContact CG2-CE 3.96Å
146	T	98.2	Very high	94.2	Very high	9 Å²	9	35 Å²	35	6%	0.055	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	115.6	171.8	-56.1	0	0	0	0	109.9	F64 S65 V66 D109	F64-T146 PolarHBondContact O-N 2.97Å; S65-T146 WeakPolarHBondContact CA-O 3.21Å; V66-T146 PolarHBondContact N-O 3.39Å; D109-T146 HydrophobicContact CB-CG2 4.18Å
147	P	98.7	Very high	94.2	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	123.1	175	-6.5	24.2	0	0	0	110.5	V66 V68 H133 L134 Y137 L219	V66-P147 HydrophobicContact CG2-CB 4.16Å; V68-P147 HydrophobicContact CG2-CB 4.16Å; H133-P147 WeakPolarHBondContact CA-O 3.37Å; L134-P147 HydrophobicContact CB-CB 4.07Å; L134-P147 HydrophobicContact CB-CG 4.09Å; L134-P147 HydrophobicContact CD1-CB 4.44Å; L134-P147 HydrophobicContact CG-CB 4.47Å; L134-P147 PolarHBondContact N-O 2.86Å; Y137-P147 HydrophobicContact CD2-CG 4.46Å; P147-L219 HydrophobicContact CB-CD1 4.18Å; P147-L219 HydrophobicContact CB-CD2 3.77Å; P147-L219 HydrophobicContact CG-CD1 4.14Å; P147-L219 HydrophobicContact CG-CD2 3.44Å; P147-L219 VanDerWaalsContact CG-CD2 3.44Å; P147-L219 HydrophobicContact CG-CG 4.45Å
148	V	98.9	Very high	94.4	Very high	0 Å²	0	42 Å²	42	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	117.2	177.4	-177.7	0	0	0	0	107.7	V66 L67 V68 A113 V130	V66-V148 PolarHBondContact O-N 3.09Å; L67-V148 CarbonylContact C-O 3.54Å; L67-V148 WeakPolarHBondContact CA-O 3.39Å; L67-V148 HydrophobicContact CD1-CG1 4.39Å; V68-V148 PolarHBondContact N-O 2.95Å; A113-V148 HydrophobicContact CB-CB 3.96Å; A113-V148 HydrophobicContact CB-CG1 4.49Å; A113-V148 HydrophobicContact CB-CG2 3.81Å; V130-V148 HydrophobicContact CB-CG1 4.41Å; V130-V148 HydrophobicContact CG1-CG1 3.44Å; V130-V148 VanDerWaalsContact CG1-CG1 3.44Å; V130-V148 HydrophobicContact CG2-CG1 4.06Å
149	V	98.9	Very high	94.7	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	129.7	-178.9	-170	0	0	0	0	109.6	L47 V68 L70 V131 S132 L134 V223	L47-V149 HydrophobicContact CD1-CG1 3.79Å; L47-V149 HydrophobicContact CD2-CB 4.39Å; L47-V149 HydrophobicContact CD2-CG1 3.98Å; L47-V149 HydrophobicContact CD2-CG2 4.27Å; V68-V149 HydrophobicContact CB-CG2 4.25Å; L70-V149 HydrophobicContact CD1-CG1 3.7Å; V131-V149 PolarHBondContact N-O 3.37Å; S132-V149 PolarHBondContact N-O 2.93Å; S132-V149 PolarHBondContact O-N 2.89Å; L134-V149 HydrophobicContact CD1-CG2 3.79Å; L134-V149 HydrophobicContact CD2-CG2 4.13Å; L134-V149 HydrophobicContact CG-CG2 3.73Å; V149-V223 HydrophobicContact CG2-CG2 4.32Å
150	G	98.7	Very high	95.1	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	148.7	179.6	0	0	0	0	0	113.4	V68 P69 L70 E129	V68-G150 PolarHBondContact O-N 3.41Å; V68-G150 VanDerWaalsContact O-N 3.15Å; P69-G150 WeakPolarHBondContact CA-O 3.37Å; L70-G150 PolarHBondContact N-O 2.9Å; E129-G150 CarbonylContact O-C 3.6Å; E129-G150 WeakPolarHBondContact O-CA 3.28Å
151	F	98.5	Very high	95.9	Very high	12 Å²	12	47.6 Å²	47.6	5%	0.053	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	123.4	172.9	-82.6	-100.7	0	0	0	110.2	I40 A43 K44 L47 L70 L77 V128 E129 V131	I40-F151 HydrophobicContact CB-CE1 4.3Å; I40-F151 HydrophobicContact CG1-CD1 4.27Å; I40-F151 HydrophobicContact CG1-CE1 4.1Å; I40-F151 HydrophobicContact CG2-CD1 3.88Å; I40-F151 HydrophobicContact CG2-CE1 3.9Å; I40-F151 HydrophobicContact CG2-CG 4.4Å; I40-F151 HydrophobicContact CG2-CZ 4.45Å; A43-F151 HydrophobicContact CB-CZ 3.73Å; K44-F151 HydrophobicContact CG-CD2 4.02Å; K44-F151 HydrophobicContact CG-CE2 3.71Å; K44-F151 HydrophobicContact CG-CZ 4.27Å; L47-F151 HydrophobicContact CD1-CE2 3.77Å; L47-F151 HydrophobicContact CD1-CZ 4.42Å; L70-F151 HydrophobicContact CB-CD1 4.07Å; L70-F151 HydrophobicContact CB-CD2 4.46Å; L70-F151 HydrophobicContact CB-CE1 4.04Å; L70-F151 HydrophobicContact CB-CE2 4.45Å; L70-F151 HydrophobicContact CB-CG 4.29Å; L70-F151 HydrophobicContact CB-CZ 4.24Å; L70-F151 HydrophobicContact CD1-CD2 4.36Å; L70-F151 HydrophobicContact CD1-CE1 4.39Å; L70-F151 HydrophobicContact CD1-CE2 3.75Å; L70-F151 HydrophobicContact CD1-CZ 3.76Å; L70-F151 CarbonylContact O-C 3.23Å; L70-F151 WeakPolarHBondContact O-CA 3.35Å; L77-F151 HydrophobicContact CD2-CE1 3.83Å; V128-F151 CarbonylContact C-O 3.53Å; V128-F151 VanDerWaalsContact CA-O 3.31Å; V128-F151 WeakPolarHBondContact CA-O 3.46Å; E129-F151 PolarHBondContact N-O 2.71Å; E129-F151 PolarHBondContact O-N 3.19Å; V131-F151 HydrophobicContact CG2-CD2 3.72Å; V131-F151 HydrophobicContact CG2-CE2 4.24Å
152	L	98.5	Very high	96.7	Very high	13 Å²	13	44.3 Å²	44.3	7%	0.068	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	144.2	175.2	-58.4	-177	0	0	0	110.8	P69 L70 L71 M80 L123 Q127 V128 F156 F170	P69-L152 HydrophobicContact CB-CD1 3.94Å; P69-L152 HydrophobicContact CB-CD2 3.86Å; P69-L152 HydrophobicContact CB-CG 3.92Å; L70-L152 PolarHBondContact O-N 3.2Å; L71-L152 HydrophobicContact CB-CD1 4.39Å; L71-L152 HydrophobicContact CD1-CB 4.09Å; M80-L152 HydrophobicContact CB-CD1 4.38Å; M80-L152 HydrophobicContact SD-CD1 4.01Å; L123-L152 HydrophobicContact CD1-CD2 3.67Å; L123-L152 HydrophobicContact CD2-CD2 3.53Å; L123-L152 HydrophobicContact CG-CD2 4.27Å; Q127-L152 CarbonylContact O-C 3.59Å; Q127-L152 WeakPolarHBondContact O-CA 3.34Å; V128-L152 HydrophobicContact CB-CD2 4.34Å; V128-L152 HydrophobicContact CG2-CD2 4.31Å; L152-F156 HydrophobicContact CD1-CD1 3.79Å; L152-F156 HydrophobicContact CD1-CE1 4.12Å; L152-F170 HydrophobicContact CD1-CE1 4.21Å
153	D	96.3	Very high	97.2	Very high	59 Å²	59	46.4 Å²	46.4	32%	0.316	25%	0.25	S	S	.	.	P	Polyproline II helix	trans	-61.3	142.7	166	-177.9	-109.3	0	0	0	110.2	Q127 N155 F156	Q127-D153 HydrophobicContact CB-CB 4.39Å; Q127-D153 PolarHBondContact O-N 2.97Å; D153-N155 PolarHBondContact O-N 2.98Å; D153-N155 VanDerWaalsContact O-N 3.14Å; D153-N155 WeakPolarHBondContact OD1-CA 3.3Å; D153-N155 VanDerWaalsContact OD1-CB 3.24Å; D153-N155 WeakPolarHBondContact OD1-CB 3.3Å; D153-N155 PolarHBondContact OD1-N 3.4Å; D153-N155 PolarHBondContact OD1-ND2 3.12Å; D153-N155 VanDerWaalsContact OD1-ND2 3.17Å; D153-F156 VanDerWaalsContact O-CB 3.27Å; D153-F156 WeakPolarHBondContact O-CB 3.31Å; D153-F156 PolarHBondContact O-N 3.02Å
154	H	93.7	Very high	97.4	Very high	139 Å²	139	49.1 Å²	49.1	64%	0.644	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-21.1	-179.8	68.5	-68.5	0	0	0	114.5
155	N	93.9	Very high	97.5	Very high	105 Å²	105	49.2 Å²	49.2	56%	0.561	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.4	2.3	176.4	-54.2	-60.9	0	0	0	113.2	D153 Q157	D153-N155 PolarHBondContact O-N 2.98Å; D153-N155 VanDerWaalsContact O-N 3.14Å; D153-N155 WeakPolarHBondContact OD1-CA 3.3Å; D153-N155 VanDerWaalsContact OD1-CB 3.24Å; D153-N155 WeakPolarHBondContact OD1-CB 3.3Å; D153-N155 PolarHBondContact OD1-N 3.4Å; D153-N155 PolarHBondContact OD1-ND2 3.12Å; D153-N155 VanDerWaalsContact OD1-ND2 3.17Å; N155-Q157 PolarHBondContact O-N 3.47Å
156	F	97.3	Very high	97.4	Very high	15 Å²	15	54.7 Å²	54.7	7%	0.066	29%	0.287	C	S	.	.			trans	-59.2	130.8	176.5	171.4	-106.5	0	0	0	110.5	M80 V121 L123 L152 D153 A158	M80-F156 HydrophobicContact SD-CE1 3.64Å; M80-F156 HydrophobicContact SD-CZ 4.31Å; V121-F156 HydrophobicContact CG2-CZ 4.16Å; L123-F156 HydrophobicContact CB-CE2 3.77Å; L123-F156 HydrophobicContact CB-CZ 4.09Å; L123-F156 HydrophobicContact CD1-CD1 4.49Å; L123-F156 HydrophobicContact CD1-CD2 3.41Å; L123-F156 VanDerWaalsContact CD1-CD2 3.41Å; L123-F156 HydrophobicContact CD1-CE2 3.51Å; L123-F156 HydrophobicContact CD1-CG 3.94Å; L123-F156 HydrophobicContact CD1-CZ 4.08Å; L123-F156 HydrophobicContact CG-CE2 4.25Å; L152-F156 HydrophobicContact CD1-CD1 3.79Å; L152-F156 HydrophobicContact CD1-CE1 4.12Å; D153-F156 VanDerWaalsContact O-CB 3.27Å; D153-F156 WeakPolarHBondContact O-CB 3.31Å; D153-F156 PolarHBondContact O-N 3.02Å; F156-A158 HydrophobicContact CE1-CB 3.98Å; F156-A158 HydrophobicContact CZ-CB 3.87Å
157	Q	97.1	Very high	97.4	Very high	155 Å²	155	57.1 Å²	57.1	72%	0.724	30%	0.297	S	S	*	.			trans	-126	120.6	171.3	-66	-173.9	1.5	0	0	107.6	N155	N155-Q157 PolarHBondContact O-N 3.47Å
158	A	97.9	Very high	97.4	Very high	34 Å²	34	58.4 Å²	58.4	28%	0.281	31%	0.306	S	S	.	.			trans	-64.4	138.3	-179.9	0	0	0	0	0	111	V121 F156 V168	V121-A158 HydrophobicContact CB-CB 4.47Å; F156-A158 HydrophobicContact CE1-CB 3.98Å; F156-A158 HydrophobicContact CZ-CB 3.87Å; A158-V168 HydrophobicContact CB-CB 4.08Å; A158-V168 HydrophobicContact CB-CG1 3.82Å; A158-V168 HydrophobicContact CB-CG2 4.12Å
159	Q	98.2	Very high	97.4	Very high	147 Å²	147	58.7 Å²	58.7	69%	0.687	31%	0.307	S	S	*	.			trans	-121.6	83.3	172.3	-63.9	179.8	20.9	0	0	107.5	V121 N161	V121-Q159 CarbonylContact C-O 3.48Å; V121-Q159 VanDerWaalsContact C-O 3.3Å; V121-Q159 PolarHBondContact O-N 2.81Å; Q159-N161 PolarHBondContact O-N 3.45Å
160	P	98	Very high	97.3	Very high	60 Å²	60	60.5 Å²	60.5	39%	0.39	32%	0.315	S	S	.	.			trans	-62.2	129.3	-174.3	-19.4	31.5	0	0	0	111.3	E120 A162 V165 V168	E120-P160 WeakPolarHBondContact O-CA 3.47Å; P160-A162 PolarHBondContact O-N 3.46Å; P160-V165 HydrophobicContact CB-CB 4.16Å; P160-V165 HydrophobicContact CB-CG1 3.95Å; P160-V168 HydrophobicContact CB-CG2 4.24Å; P160-V168 HydrophobicContact CG-CB 4.41Å; P160-V168 HydrophobicContact CG-CG2 3.76Å
161	N	98.3	Very high	97.3	Very high	55 Å²	55	60.5 Å²	60.5	29%	0.294	32%	0.315	S	S	.	.			trans	-74.6	107.5	167.9	175.4	2.9	0	0	0	109.2	E119 E120 Q159 D163 E164 V165	E119-N161 VanDerWaalsContact O-CB 3.23Å; E119-N161 WeakPolarHBondContact O-CB 3.42Å; E120-N161 PolarHBondContact O-N 3.02Å; Q159-N161 PolarHBondContact O-N 3.45Å; N161-D163 PolarHBondContact O-N 3.38Å; N161-D163 PolarHBondContact OD1-N 2.95Å; N161-D163 VanDerWaalsContact OD1-N 3.13Å; N161-E164 PolarHBondContact O-N 3.2Å; N161-V165 PolarHBondContact O-N 2.69Å
162	A	96.9	Very high	97.3	Very high	67 Å²	67	61 Å²	61	55%	0.554	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-8	-175	0	0	0	0	0	115.3	K87 P160	K87-A162 PolarHBondContact NZ-O 2.94Å; P160-A162 PolarHBondContact O-N 3.46Å
163	D	96.6	Very high	97.3	Very high	96 Å²	96	60.4 Å²	60.4	51%	0.513	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.9	-26.5	170.7	-70.5	-29.8	0	0	0	112.4	S85 K87 N161	S85-D163 VanDerWaalsContact CB-O 3.28Å; S85-D163 WeakPolarHBondContact CB-O 3.21Å; S85-D163 PolarHBondContact OG-O 2.81Å; K87-D163 IonicContact NZ-OD1 3.23Å; K87-D163 PolarHBondContact NZ-OD1 2.79Å; N161-D163 PolarHBondContact O-N 3.38Å; N161-D163 PolarHBondContact OD1-N 2.95Å; N161-D163 VanDerWaalsContact OD1-N 3.13Å
164	E	96.9	Very high	97.4	Very high	59 Å²	59	60.5 Å²	60.5	28%	0.276	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-118.3	-36.4	-172.8	-63.8	-177.2	174.7	0	0	113.1	S85 L88 N161	S85-E164 VanDerWaalsContact CB-C 3.42Å; S85-E164 VanDerWaalsContact CB-O 3.3Å; S85-E164 WeakPolarHBondContact CB-O 3.33Å; S85-E164 PolarHBondContact N-O 3.49Å; L88-E164 VanDerWaalsContact CD1-O 3.31Å; L88-E164 WeakPolarHBondContact CD1-O 3.34Å; L88-E164 HydrophobicContact CD2-CG 4.46Å; N161-E164 PolarHBondContact O-N 3.2Å
165	V	98.1	Very high	97.6	Very high	3 Å²	3	54.8 Å²	54.8	2%	0.018	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	120.7	-176.7	-179.4	0	0	0	0	110.1	T82 E120 V121 P160 N161 E167 V168	T82-V165 HydrophobicContact CG2-CG1 4.05Å; T82-V165 HydrophobicContact CG2-CG2 4.01Å; E120-V165 HydrophobicContact CB-CG2 3.71Å; E120-V165 HydrophobicContact CG-CG2 4.02Å; V121-V165 HydrophobicContact CG1-CG2 4.45Å; P160-V165 HydrophobicContact CB-CB 4.16Å; P160-V165 HydrophobicContact CB-CG1 3.95Å; N161-V165 PolarHBondContact O-N 2.69Å; V165-E167 WeakPolarHBondContact CG1-O 3.46Å; V165-V168 HydrophobicContact CG1-CG2 3.85Å
166	K	97	Very high	97.9	Very high	120 Å²	120	49.8 Å²	49.8	52%	0.522	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	-41.6	172.4	-179.7	173.7	-176.4	162.4	0	111.4	V83 D86	V83-K166 HydrophobicContact CB-CB 4.27Å; V83-K166 HydrophobicContact CG1-CB 4.17Å; V83-K166 HydrophobicContact CG1-CD 4.11Å; V83-K166 WeakPolarHBondContact O-CB 3.33Å; V83-K166 PolarHBondContact O-N 2.69Å; D86-K166 IonicContact OD1-NZ 3.59Å; D86-K166 IonicContact OD2-NZ 2.88Å; D86-K166 PolarHBondContact OD2-NZ 2.96Å
167	E	97.2	Very high	97.9	Very high	60 Å²	60	49 Å²	49	28%	0.28	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157	150.9	-171.4	-168.3	168.1	-177.8	0	0	111.5	T82 V83 V165 Y210	T82-E167 CarbonylContact C-O 3.3Å; T82-E167 WeakPolarHBondContact CA-O 3.32Å; V83-E167 HydrophobicContact CB-CB 4.06Å; V83-E167 HydrophobicContact CG2-CB 4.02Å; V83-E167 PolarHBondContact N-O 2.84Å; V165-E167 WeakPolarHBondContact CG1-O 3.46Å; E167-Y210 PolarHBondContact OE1-OH 3.16Å
168	V	98.3	Very high	97.9	Very high	28 Å²	28	46.2 Å²	46.2	17%	0.17	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	132.8	172.1	177	0	0	0	0	108.1	M80 F81 T82 V121 A158 P160 V165 F170	M80-V168 HydrophobicContact CG-CG1 3.64Å; M80-V168 HydrophobicContact SD-CG1 3.85Å; F81-V168 WeakPolarHBondContact O-CA 3.35Å; T82-V168 HydrophobicContact CG2-CG2 4.27Å; V121-V168 HydrophobicContact CB-CG2 4.42Å; V121-V168 HydrophobicContact CG1-CG2 3.58Å; A158-V168 HydrophobicContact CB-CB 4.08Å; A158-V168 HydrophobicContact CB-CG1 3.82Å; A158-V168 HydrophobicContact CB-CG2 4.12Å; P160-V168 HydrophobicContact CB-CG2 4.24Å; P160-V168 HydrophobicContact CG-CB 4.41Å; P160-V168 HydrophobicContact CG-CG2 3.76Å; V165-V168 HydrophobicContact CG1-CG2 3.85Å; V168-F170 HydrophobicContact CG1-CE2 4.42Å
169	F	98.4	Very high	97.9	Very high	5 Å²	5	45.9 Å²	45.9	2%	0.022	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	163.9	-179.8	69.2	-78.7	0	0	0	111.3	F81 V83 V95 V171 Y201 Y210 I212	F81-F169 HydrophobicContact CB-CD1 4.1Å; F81-F169 HydrophobicContact CB-CE1 3.55Å; F81-F169 HydrophobicContact CB-CE2 4.13Å; F81-F169 HydrophobicContact CB-CZ 3.58Å; F81-F169 HydrophobicContact CD2-CE2 4.15Å; F81-F169 HydrophobicContact CD2-CZ 4.33Å; F81-F169 HydrophobicContact CG-CE2 4.4Å; F81-F169 HydrophobicContact CG-CZ 4.11Å; F81-F169 PolarHBondContact N-O 2.73Å; F81-F169 PolarHBondContact O-N 3.38Å; F81-F169 VanDerWaalsContact O-N 3.1Å; V83-F169 HydrophobicContact CG2-CD1 4.08Å; V83-F169 HydrophobicContact CG2-CE1 3.79Å; V95-F169 HydrophobicContact CB-CZ 4.46Å; V95-F169 HydrophobicContact CG1-CE1 3.97Å; V95-F169 HydrophobicContact CG1-CZ 3.61Å; V95-F169 HydrophobicContact CG2-CE1 4.08Å; V95-F169 HydrophobicContact CG2-CZ 3.94Å; F169-V171 HydrophobicContact CD2-CG2 3.81Å; F169-V171 HydrophobicContact CE2-CG2 3.52Å; F169-Y201 HydrophobicContact CD2-CD1 4.43Å; F169-Y201 HydrophobicContact CE2-CD1 4.49Å; F169-Y210 HydrophobicContact CB-CE1 4.38Å; F169-Y210 HydrophobicContact CB-CE2 4.11Å; F169-Y210 AromaticContact CD1-CD1 3.78Å; F169-Y210 HydrophobicContact CD1-CD1 3.78Å; F169-Y210 AromaticContact CD1-CE1 3.7Å; F169-Y210 HydrophobicContact CD1-CE1 3.7Å; F169-Y210 HydrophobicContact CD1-CE2 4.49Å; F169-Y210 HydrophobicContact CD1-CG 4.22Å; F169-Y210 HydrophobicContact CD2-CD1 4.31Å; F169-Y210 AromaticContact CD2-CD2 3.7Å; F169-Y210 HydrophobicContact CD2-CD2 3.7Å; F169-Y210 HydrophobicContact CD2-CE1 4.47Å; F169-Y210 AromaticContact CD2-CE2 3.88Å; F169-Y210 HydrophobicContact CD2-CE2 3.88Å; F169-Y210 AromaticContact CD2-CG 3.92Å; F169-Y210 HydrophobicContact CD2-CG 3.92Å; F169-Y210 AromaticContact CE1-CD1 3.61Å; F169-Y210 HydrophobicContact CE1-CD1 3.61Å; F169-Y210 HydrophobicContact CE1-CE1 4.03Å; F169-Y210 AromaticContact CE1-CG 3.96Å; F169-Y210 HydrophobicContact CE1-CG 3.96Å; F169-Y210 HydrophobicContact CE2-CD1 4.15Å; F169-Y210 AromaticContact CE2-CD2 3.78Å; F169-Y210 HydrophobicContact CE2-CD2 3.78Å; F169-Y210 HydrophobicContact CE2-CE2 4.4Å; F169-Y210 AromaticContact CE2-CG 3.62Å; F169-Y210 HydrophobicContact CE2-CG 3.62Å; F169-Y210 HydrophobicContact CG-CD1 4.12Å; F169-Y210 HydrophobicContact CG-CD2 4.11Å; F169-Y210 AromaticContact CG-CE1 3.94Å; F169-Y210 HydrophobicContact CG-CE1 3.94Å; F169-Y210 AromaticContact CG-CE2 3.91Å; F169-Y210 HydrophobicContact CG-CE2 3.91Å; F169-Y210 HydrophobicContact CG-CG 4.2Å; F169-Y210 AromaticContact CG-CZ 3.82Å; F169-Y210 AromaticContact CZ-CD1 3.79Å; F169-Y210 HydrophobicContact CZ-CD1 3.79Å; F169-Y210 HydrophobicContact CZ-CD2 4.26Å; F169-Y210 AromaticContact CZ-CG 3.63Å; F169-Y210 HydrophobicContact CZ-CG 3.63Å; F169-I212 HydrophobicContact CE2-CD1 4.47Å; F169-I212 HydrophobicContact CZ-CG1 4.38Å
170	F	98.2	Very high	97.9	Very high	39 Å²	39	47.4 Å²	47.4	17%	0.171	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	133.9	-176.7	-67.3	-95	0	0	0	110.8	L71 Y78 L79 M80 L152 V168	L71-F170 HydrophobicContact CB-CD1 4.24Å; L71-F170 HydrophobicContact CB-CE1 3.98Å; L71-F170 HydrophobicContact CD2-CD1 4.02Å; L71-F170 HydrophobicContact CD2-CE1 3.65Å; L71-F170 HydrophobicContact CD2-CZ 4.1Å; L71-F170 HydrophobicContact CG-CE1 4.44Å; Y78-F170 HydrophobicContact CD1-CB 4.18Å; L79-F170 WeakPolarHBondContact O-CA 3.48Å; M80-F170 HydrophobicContact CB-CD1 3.83Å; M80-F170 HydrophobicContact CB-CE1 3.5Å; M80-F170 VanDerWaalsContact CB-CE1 3.5Å; M80-F170 HydrophobicContact CB-CZ 4.1Å; M80-F170 HydrophobicContact CG-CD1 4.15Å; M80-F170 HydrophobicContact CG-CE1 3.61Å; M80-F170 HydrophobicContact CG-CE2 4.25Å; M80-F170 HydrophobicContact CG-CZ 3.66Å; M80-F170 HydrophobicContact SD-CE1 4.17Å; M80-F170 HydrophobicContact SD-CZ 3.9Å; L152-F170 HydrophobicContact CD1-CE1 4.21Å; V168-F170 HydrophobicContact CG1-CE2 4.42Å
171	V	98.7	Very high	97.8	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	131.1	177.3	-172.6	0	0	0	0	109	Y78 L79 F81 F169 L173 Y175 F176 Y201 I212	Y78-V171 CarbonylContact C-O 3.58Å; Y78-V171 VanDerWaalsContact CA-O 3.25Å; Y78-V171 WeakPolarHBondContact CA-O 3.39Å; L79-V171 PolarHBondContact N-O 3.08Å; L79-V171 PolarHBondContact O-N 3.28Å; F81-V171 HydrophobicContact CD2-CB 4.36Å; F81-V171 HydrophobicContact CD2-CG2 3.79Å; F81-V171 HydrophobicContact CE2-CB 3.92Å; F81-V171 HydrophobicContact CE2-CG2 3.76Å; F169-V171 HydrophobicContact CD2-CG2 3.81Å; F169-V171 HydrophobicContact CE2-CG2 3.52Å; V171-L173 PolarHBondContact O-N 3.04Å; V171-Y175 HydrophobicContact CG1-CD1 3.85Å; V171-Y175 HydrophobicContact CG1-CG 3.94Å; V171-F176 HydrophobicContact CB-CE2 3.89Å; V171-F176 HydrophobicContact CB-CZ 3.95Å; V171-F176 HydrophobicContact CG1-CE2 3.7Å; V171-F176 HydrophobicContact CG1-CZ 3.76Å; V171-F176 HydrophobicContact CG2-CZ 4.38Å; V171-Y201 HydrophobicContact CG1-CD1 4.37Å; V171-Y201 HydrophobicContact CG1-CD2 3.84Å; V171-Y201 HydrophobicContact CG1-CE2 4.08Å; V171-Y201 HydrophobicContact CG1-CG 3.98Å; V171-Y201 HydrophobicContact CG2-CD1 3.72Å; V171-Y201 HydrophobicContact CG2-CE1 4.02Å; V171-Y201 HydrophobicContact CG2-CG 4.04Å; V171-I212 HydrophobicContact CG2-CD1 4.19Å
172	P	98.5	Very high	97.8	Very high	21 Å²	21	47.6 Å²	47.6	14%	0.136	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-52.7	132.8	171.6	-23.6	31.8	0	0	0	111.2	Y78 D174 Y175 Y201	Y78-P172 HydrophobicContact CD1-CB 4.4Å; Y78-P172 HydrophobicContact CD1-CG 4.11Å; Y78-P172 HydrophobicContact CE1-CB 4.19Å; Y78-P172 HydrophobicContact CE1-CG 3.68Å; P172-D174 WeakPolarHBondContact CB-OD1 3.46Å; P172-D174 PolarHBondContact O-N 2.99Å; P172-Y175 WeakPolarHBondContact O-CB 3.5Å; P172-Y175 PolarHBondContact O-N 3.44Å; P172-Y201 WeakPolarHBondContact CD-OH 2.92Å
173	L	98.8	Very high	97.8	Very high	1 Å²	1	48.3 Å²	48.3	1%	0.005	23%	0.233	C	C	.	.	G	3₁₀ helix	trans	-61.3	-35	-176.6	-176.6	65.9	0	0	0	112.2	L70 L77 L79 V171 Y175 F176 V223 A224 I227 L228	L70-L173 HydrophobicContact CD2-CD1 4.41Å; L70-L173 HydrophobicContact CD2-CD2 4.33Å; L77-L173 HydrophobicContact CB-CB 4.06Å; L77-L173 HydrophobicContact CB-CD2 4.01Å; L77-L173 HydrophobicContact CD1-CD2 4.05Å; L77-L173 WeakPolarHBondContact O-CB 3.43Å; L77-L173 PolarHBondContact O-N 3.03Å; L79-L173 HydrophobicContact CD1-CD1 3.67Å; L79-L173 HydrophobicContact CG-CD1 3.87Å; V171-L173 PolarHBondContact O-N 3.04Å; L173-Y175 PolarHBondContact O-N 3.17Å; L173-F176 PolarHBondContact O-N 3.31Å; L173-V223 HydrophobicContact CD1-CG1 4.13Å; L173-A224 HydrophobicContact CD1-CB 3.8Å; L173-A224 HydrophobicContact CG-CB 4.07Å; L173-I227 HydrophobicContact CD2-CB 3.91Å; L173-I227 HydrophobicContact CD2-CD1 3.9Å; L173-I227 HydrophobicContact CD2-CG2 3.75Å; L173-L228 HydrophobicContact CD2-CD1 4.43Å; L173-L228 HydrophobicContact CD2-CD2 4.17Å; L173-L228 HydrophobicContact CD2-CG 4.12Å; L173-L228 HydrophobicContact CG-CD1 4.14Å; L173-L228 HydrophobicContact CG-CG 4.35Å
174	D	98	Very high	97.8	Very high	61 Å²	61	47.1 Å²	47.1	33%	0.326	23%	0.225	S	C	.	.	G	3₁₀ helix	trans	-63.6	-22.7	176.4	55.7	-13.2	0	0	0	113	K76 P172 F176 L177 H178 L228	K76-D174 IonicContact NZ-OD2 2.84Å; K76-D174 PolarHBondContact NZ-OD2 2.99Å; K76-D174 VanDerWaalsContact NZ-OD2 3.16Å; P172-D174 WeakPolarHBondContact CB-OD1 3.46Å; P172-D174 PolarHBondContact O-N 2.99Å; D174-F176 PolarHBondContact O-N 2.87Å; D174-L177 PolarHBondContact O-N 3.02Å; D174-L177 VanDerWaalsContact O-N 3.09Å; D174-H178 PolarHBondContact O-N 3.19Å; D174-L228 HydrophobicContact CB-CD1 4.14Å
175	Y	98.5	Very high	97.6	Very high	19 Å²	19	48.7 Å²	48.7	8%	0.075	23%	0.231	C	C	.	.	G	3₁₀ helix	trans	-58.3	-34.2	175.6	-167.5	-100.2	0	0	0	112.6	V171 P172 L173 L177 H178 P179 Q180 V181 F199 E200 Y201	V171-Y175 HydrophobicContact CG1-CD1 3.85Å; V171-Y175 HydrophobicContact CG1-CG 3.94Å; P172-Y175 WeakPolarHBondContact O-CB 3.5Å; P172-Y175 PolarHBondContact O-N 3.44Å; L173-Y175 PolarHBondContact O-N 3.17Å; Y175-L177 PolarHBondContact O-N 3.42Å; Y175-H178 CarbonylContact O-C 3.53Å; Y175-P179 HydrophobicContact CD1-CB 4.42Å; Y175-P179 HydrophobicContact CE1-CB 3.96Å; Y175-P179 HydrophobicContact CE2-CB 4.35Å; Y175-P179 VanDerWaalsContact O-CA 3.25Å; Y175-P179 WeakPolarHBondContact O-CA 3.49Å; Y175-P179 WeakPolarHBondContact O-CB 3.43Å; Y175-P179 WeakPolarHBondContact O-CD 3.32Å; Y175-P179 VanDerWaalsContact O-N 3.07Å; Y175-Q180 HydrophobicContact CE2-CB 4.13Å; Y175-Q180 HydrophobicContact CE2-CG 4.27Å; Y175-Q180 VanDerWaalsContact CE2-N 3.34Å; Y175-Q180 PolarHBondContact OH-N 3.28Å; Y175-V181 PolarHBondContact OH-N 2.94Å; Y175-V181 VanDerWaalsContact OH-N 3.13Å; Y175-V181 PolarHBondContact OH-O 3.16Å; Y175-F199 HydrophobicContact CE1-CB 4.21Å; Y175-F199 HydrophobicContact CE1-CD1 4.38Å; Y175-E200 PolarHBondContact OH-O 3.26Å; Y175-Y201 HydrophobicContact CD1-CD2 4.2Å; Y175-Y201 HydrophobicContact CD2-CD2 4.04Å; Y175-Y201 HydrophobicContact CD2-CE2 4.49Å; Y175-Y201 HydrophobicContact CE1-CD2 4.18Å; Y175-Y201 HydrophobicContact CE2-CD2 4.03Å; Y175-Y201 HydrophobicContact CG-CD2 4.15Å
176	F	98.5	Very high	97.3	Very high	0 Å²	0	54 Å²	54	0%	0	26%	0.255	C	S	.	.	G	3₁₀ helix	trans	-77	-6	-178.3	-62.7	-74.6	0	0	0	113.5	L79 F81 V171 L173 D174 F199 I212 A220 V221 A224 F234	L79-F176 HydrophobicContact CB-CE2 4.42Å; L79-F176 HydrophobicContact CD1-CD2 4Å; L79-F176 HydrophobicContact CD1-CE2 3.76Å; F81-F176 HydrophobicContact CE2-CE2 4.01Å; F81-F176 AromaticContact CE2-CZ 3.62Å; F81-F176 HydrophobicContact CE2-CZ 3.62Å; F81-F176 HydrophobicContact CZ-CE1 4.29Å; F81-F176 AromaticContact CZ-CE2 3.96Å; F81-F176 HydrophobicContact CZ-CE2 3.96Å; F81-F176 AromaticContact CZ-CZ 3.43Å; F81-F176 HydrophobicContact CZ-CZ 3.43Å; F81-F176 VanDerWaalsContact CZ-CZ 3.43Å; V171-F176 HydrophobicContact CB-CE2 3.89Å; V171-F176 HydrophobicContact CB-CZ 3.95Å; V171-F176 HydrophobicContact CG1-CE2 3.7Å; V171-F176 HydrophobicContact CG1-CZ 3.76Å; V171-F176 HydrophobicContact CG2-CZ 4.38Å; L173-F176 PolarHBondContact O-N 3.31Å; D174-F176 PolarHBondContact O-N 2.87Å; F176-F199 HydrophobicContact CD1-CD1 4.43Å; F176-F199 HydrophobicContact CD1-CD2 4.09Å; F176-F199 HydrophobicContact CD1-CE1 4.47Å; F176-F199 HydrophobicContact CD1-CE2 4.13Å; F176-F199 HydrophobicContact CD1-CG 4.24Å; F176-F199 HydrophobicContact CD1-CZ 4.34Å; F176-F199 HydrophobicContact CE1-CD2 4.36Å; F176-F199 HydrophobicContact CE1-CG 4.46Å; F176-I212 HydrophobicContact CE1-CD1 4.34Å; F176-I212 HydrophobicContact CE1-CG2 4.24Å; F176-I212 HydrophobicContact CZ-CD1 4.43Å; F176-A220 HydrophobicContact CD1-CB 3.58Å; F176-A220 HydrophobicContact CD2-CB 4.01Å; F176-A220 HydrophobicContact CE1-CB 3.58Å; F176-A220 HydrophobicContact CE2-CB 4.01Å; F176-A220 HydrophobicContact CG-CB 3.8Å; F176-A220 HydrophobicContact CZ-CB 3.8Å; F176-V221 HydrophobicContact CB-CG2 4.35Å; F176-A224 HydrophobicContact CB-CB 4.02Å; F176-F234 WeakPolarHBondContact O-CE1 3.25Å; F176-F234 WeakPolarHBondContact O-CZ 3.32Å
177	L	97.9	Very high	96.9	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.3	-33.5	170.8	-56.9	-173.8	0	0	0	111.8	D174 Y175 P179 A224 L225 L228 Q230 P232 A233	D174-L177 PolarHBondContact O-N 3.02Å; D174-L177 VanDerWaalsContact O-N 3.09Å; Y175-L177 PolarHBondContact O-N 3.42Å; L177-P179 VanDerWaalsContact C-CD 3.47Å; L177-A224 HydrophobicContact CD1-CB 4.37Å; L177-A224 HydrophobicContact CD2-CB 3.88Å; L177-A224 HydrophobicContact CG-CB 3.88Å; L177-L225 HydrophobicContact CD2-CD2 3.69Å; L177-L225 HydrophobicContact CD2-CG 4.02Å; L177-L228 HydrophobicContact CD1-CB 3.83Å; L177-L228 HydrophobicContact CD1-CD1 3.7Å; L177-L228 HydrophobicContact CD1-CG 4.34Å; L177-L228 HydrophobicContact CG-CD1 4.28Å; L177-Q230 HydrophobicContact CD1-CB 3.71Å; L177-P232 HydrophobicContact CD2-CB 4.08Å; L177-P232 WeakPolarHBondContact O-CA 3.45Å; L177-A233 PolarHBondContact O-N 2.98Å
178	H	98	Very high	96.5	Very high	96 Å²	96	52.8 Å²	52.8	44%	0.444	26%	0.259	S	S	.	.	S	Bend	trans	-129.4	67	-178.5	-56.4	-64.4	0	0	0	111.4	D174 Y175	D174-H178 PolarHBondContact O-N 3.19Å; Y175-H178 CarbonylContact O-C 3.53Å
179	P	97.9	Very high	95.7	Very high	26 Å²	26	56 Å²	56	17%	0.169	27%	0.272	C	S	.	.			trans	-71.8	149.7	-176.6	30.4	-37.2	0	0	0	111.9	Y175 L177 Y182 F199 F234	Y175-P179 HydrophobicContact CD1-CB 4.42Å; Y175-P179 HydrophobicContact CE1-CB 3.96Å; Y175-P179 HydrophobicContact CE2-CB 4.35Å; Y175-P179 VanDerWaalsContact O-CA 3.25Å; Y175-P179 WeakPolarHBondContact O-CA 3.49Å; Y175-P179 WeakPolarHBondContact O-CB 3.43Å; Y175-P179 WeakPolarHBondContact O-CD 3.32Å; Y175-P179 VanDerWaalsContact O-N 3.07Å; L177-P179 VanDerWaalsContact C-CD 3.47Å; P179-Y182 HydrophobicContact CG-CD2 4.4Å; P179-Y182 HydrophobicContact CG-CG 3.93Å; P179-F199 HydrophobicContact CB-CD1 3.74Å; P179-F199 HydrophobicContact CB-CE1 4.04Å; P179-F199 HydrophobicContact CG-CD1 4.07Å; P179-F199 HydrophobicContact CG-CE1 3.89Å; P179-F234 HydrophobicContact CG-CD1 4.16Å; P179-F234 HydrophobicContact CG-CE1 4.12Å
180	Q	96.9	Very high	94.8	Very high	179 Å²	179	60.3 Å²	60.3	84%	0.836	30%	0.303	S	S	*	.	S	Bend	trans	-76.7	-41.2	170.1	-70.5	-173.3	-4.3	0	0	111.3	Y175	Y175-Q180 HydrophobicContact CE2-CB 4.13Å; Y175-Q180 HydrophobicContact CE2-CG 4.27Å; Y175-Q180 VanDerWaalsContact CE2-N 3.34Å; Y175-Q180 PolarHBondContact OH-N 3.28Å
181	V	97.3	Very high	94.1	Very high	67 Å²	67	62 Å²	62	41%	0.406	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	116.2	177.9	-174.7	0	0	0	0	109	Y175 E200	Y175-V181 PolarHBondContact OH-N 2.94Å; Y175-V181 VanDerWaalsContact OH-N 3.13Å; Y175-V181 PolarHBondContact OH-O 3.16Å; V181-E200 HydrophobicContact CB-CB 3.9Å; V181-E200 HydrophobicContact CG1-CB 3.73Å; V181-E200 HydrophobicContact CG1-CG 4.17Å; V181-E200 PolarHBondContact O-N 2.54Å; V181-E200 VanDerWaalsContact O-N 3.08Å
182	Y	97.9	Very high	93.4	Very high	53 Å²	53	67.6 Å²	67.6	21%	0.208	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	142	-177.6	163.3	-93.5	0	0	0	110.9	P179 Q184 H197 C198 F199 F234	P179-Y182 HydrophobicContact CG-CD2 4.4Å; P179-Y182 HydrophobicContact CG-CG 3.93Å; Y182-Q184 PolarHBondContact OH-OE1 3.02Å; Y182-H197 HydrophobicContact CE2-CB 3.94Å; Y182-H197 AromaticContact CE2-ND1 3.67Å; Y182-H197 AromaticContact CZ-ND1 3.76Å; Y182-H197 PolarHBondContact OH-ND1 3.49Å; Y182-C198 WeakPolarHBondContact CA-O 3.39Å; Y182-C198 WeakPolarHBondContact CD2-O 3.32Å; Y182-F199 AromaticContact CD2-CD1 3.78Å; Y182-F199 HydrophobicContact CD2-CD1 3.78Å; Y182-F199 AromaticContact CD2-CE1 3.53Å; Y182-F199 HydrophobicContact CD2-CE1 3.53Å; Y182-F199 HydrophobicContact CD2-CE2 4.46Å; Y182-F199 HydrophobicContact CD2-CG 4.35Å; Y182-F199 AromaticContact CD2-CZ 3.89Å; Y182-F199 HydrophobicContact CD2-CZ 3.89Å; Y182-F199 HydrophobicContact CE2-CE1 4.08Å; Y182-F199 HydrophobicContact CE2-CE2 4.5Å; Y182-F199 AromaticContact CE2-CZ 3.99Å; Y182-F199 HydrophobicContact CE2-CZ 3.99Å; Y182-F199 HydrophobicContact CG-CE1 4.38Å; Y182-F234 HydrophobicContact CD1-CB 3.98Å; Y182-F234 HydrophobicContact CD1-CD1 4.29Å; Y182-F234 HydrophobicContact CD1-CG 4.2Å; Y182-F234 HydrophobicContact CD2-CD1 4.43Å; Y182-F234 HydrophobicContact CE1-CB 3.3Å; Y182-F234 HydrophobicContact CE1-CD1 4.19Å; Y182-F234 HydrophobicContact CE1-CD2 4.16Å; Y182-F234 AromaticContact CE1-CG 3.64Å; Y182-F234 HydrophobicContact CE1-CG 3.64Å; Y182-F234 HydrophobicContact CE2-CD1 4.29Å; Y182-F234 AromaticContact CE2-CD2 3.98Å; Y182-F234 HydrophobicContact CE2-CD2 3.98Å; Y182-F234 HydrophobicContact CE2-CE2 4.23Å; Y182-F234 HydrophobicContact CE2-CG 4.02Å; Y182-F234 HydrophobicContact CG-CD1 4.42Å; Y182-F234 AromaticContact CZ-CD2 3.57Å; Y182-F234 AromaticContact CZ-CG 3.52Å; Y182-F234 WeakPolarHBondContact OH-CD2 3.48Å
183	Y	97	Very high	92.8	Very high	82 Å²	82	71.7 Å²	71.7	32%	0.322	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	163.6	167	57.2	-85.6	0	0	0	110.3	C198 E200	Y183-C198 HydrophobicContact CD1-CB 4.18Å; Y183-C198 HydrophobicContact CD2-CB 3.64Å; Y183-C198 HydrophobicContact CE1-CB 3.88Å; Y183-C198 HydrophobicContact CE2-CB 3.29Å; Y183-C198 VanDerWaalsContact CE2-SG 3.6Å; Y183-C198 HydrophobicContact CG-CB 4.08Å; Y183-C198 VanDerWaalsContact CZ-CB 3.42Å; Y183-C198 PolarHBondContact N-O 2.88Å; Y183-C198 WeakPolarHBondContact O-CB 3.41Å; Y183-C198 PolarHBondContact O-N 3.08Å; Y183-E200 HydrophobicContact CE1-CG 4.33Å; Y183-E200 WeakPolarHBondContact CE1-OE1 3.41Å
184	Q	95	Very high	92.3	Very high	71 Å²	71	72.6 Å²	72.6	33%	0.332	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	146	178.7	52.9	178.7	66.8	0	0	111.5	Y182 I195 M196	Y182-Q184 PolarHBondContact OH-OE1 3.02Å; Q184-I195 HydrophobicContact CB-CG2 3.81Å; Q184-M196 WeakPolarHBondContact CA-O 3.1Å
185	K	93.8	Very high	91.9	Very high	92 Å²	92	70.3 Å²	70.3	40%	0.4	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	132.3	167.2	-53.1	-171.6	-163	164.6	0	108.4	M196	K185-M196 HydrophobicContact CB-CB 4.46Å; K185-M196 HydrophobicContact CB-CE 4.03Å; K185-M196 HydrophobicContact CD-CE 3.56Å; K185-M196 HydrophobicContact CG-CE 4.05Å; K185-M196 PolarHBondContact N-O 3.35Å; K185-M196 PolarHBondContact O-N 2.96Å
186	Q	91	Very high	91.7	Very high	114 Å²	114	71 Å²	71	53%	0.533	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	129	169	-69.3	-66.9	1.6	0	0	108.6	F194	Q186-F194 PolarHBondContact OE1-O 3.15Å
187	I	89.6	Confident	91.6	Very high	62 Å²	62	71 Å²	71	32%	0.318	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	118.2	178.3	-55.7	-173.9	0	0	0	108.2	Q189 F194 M196	I187-Q189 HydrophobicContact CG2-CG 4.25Å; I187-F194 PolarHBondContact N-O 2.95Å; I187-F194 PolarHBondContact O-N 2.73Å; I187-M196 HydrophobicContact CD1-CB 3.53Å; I187-M196 HydrophobicContact CD1-CE 4Å; I187-M196 HydrophobicContact CD1-CG 4.15Å; I187-M196 HydrophobicContact CD1-SD 3.66Å; I187-M196 HydrophobicContact CG1-CB 4.06Å
188	T	88.3	Confident	91.6	Very high	93 Å²	93	71 Å²	71	57%	0.571	37%	0.369	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.7	118.6	171.4	-49.3	0	0	0	0	109.3	R192 D193	T188-R192 CarbonylContact C-O 3.58Å; T188-R192 WeakPolarHBondContact CA-O 3.26Å; T188-D193 WeakPolarHBondContact CB-OD1 3.47Å; T188-D193 WeakPolarHBondContact CG2-OD1 3.06Å; T188-D193 PolarHBondContact OG1-OD1 2.84Å
189	Q	81.2	Confident	91.6	Very high	96 Å²	96	66.5 Å²	66.5	45%	0.449	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	129.4	173.1	-91.2	-175.6	-16	0	0	109.7	I187 G191 R192 F194	I187-Q189 HydrophobicContact CG2-CG 4.25Å; Q189-G191 PolarHBondContact O-N 2.82Å; Q189-G191 VanDerWaalsContact O-N 3.14Å; Q189-R192 PolarHBondContact N-O 3.42Å; Q189-R192 PolarHBondContact O-N 2.84Å; Q189-R192 VanDerWaalsContact O-O 3.14Å; Q189-F194 HydrophobicContact CB-CD2 4.03Å; Q189-F194 HydrophobicContact CB-CE2 3.93Å
190	S	80.6	Confident	91.6	Very high	94 Å²	94	68 Å²	68	66%	0.657	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.3	40.9	178.6	-52.9	0	0	0	0	113.4	R192	S190-R192 VanDerWaalsContact C-N 3.28Å; S190-R192 PolarHBondContact O-N 2.96Å
191	G	82.7	Confident	91.7	Very high	75 Å²	75	60.5 Å²	60.5	77%	0.773	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.6	7.3	179.1	0	0	0	0	0	115.8	Q189	Q189-G191 PolarHBondContact O-N 2.82Å; Q189-G191 VanDerWaalsContact O-N 3.14Å
192	R	83.2	Confident	91.8	Very high	117 Å²	117	63.9 Å²	63.9	44%	0.442	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	140.6	171	-70.8	-167.1	-177.6	175.1	0.3	111.2	T188 Q189 S190 F194 W253	T188-R192 CarbonylContact C-O 3.58Å; T188-R192 WeakPolarHBondContact CA-O 3.26Å; Q189-R192 PolarHBondContact N-O 3.42Å; Q189-R192 PolarHBondContact O-N 2.84Å; Q189-R192 VanDerWaalsContact O-O 3.14Å; S190-R192 VanDerWaalsContact C-N 3.28Å; S190-R192 PolarHBondContact O-N 2.96Å; R192-F194 HydrophobicContact CB-CE2 3.71Å; R192-F194 HydrophobicContact CB-CZ 3.8Å; R192-F194 WeakPolarHBondContact O-CD2 3.49Å; R192-F194 WeakPolarHBondContact O-CE2 3.34Å; R192-W253 HydrophobicContact CB-CH2 3.93Å; R192-W253 HydrophobicContact CB-CZ2 4.38Å; R192-W253 VanDerWaalsContact CD-CZ2 3.41Å; R192-W253 HydrophobicContact CG-CH2 3.75Å; R192-W253 HydrophobicContact CG-CZ2 3.69Å; R192-W253 VanDerWaalsContact CZ-CE2 3.41Å
193	D	87	Confident	91.7	Very high	108 Å²	108	62.3 Å²	62.3	58%	0.578	32%	0.322	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.9	135.1	172.8	-65.4	-22.6	0	0	0	110.2	T188	T188-D193 WeakPolarHBondContact CB-OD1 3.47Å; T188-D193 WeakPolarHBondContact CG2-OD1 3.06Å; T188-D193 PolarHBondContact OG1-OD1 2.84Å
194	F	87.2	Confident	91.6	Very high	20 Å²	20	63.6 Å²	63.6	9%	0.088	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	141.7	176.1	-62.6	-81.2	0	0	0	109.6	Q186 I187 Q189 R192 T250 W253 R254	Q186-F194 PolarHBondContact OE1-O 3.15Å; I187-F194 PolarHBondContact N-O 2.95Å; I187-F194 PolarHBondContact O-N 2.73Å; Q189-F194 HydrophobicContact CB-CD2 4.03Å; Q189-F194 HydrophobicContact CB-CE2 3.93Å; R192-F194 HydrophobicContact CB-CE2 3.71Å; R192-F194 HydrophobicContact CB-CZ 3.8Å; R192-F194 WeakPolarHBondContact O-CD2 3.49Å; R192-F194 WeakPolarHBondContact O-CE2 3.34Å; F194-T250 HydrophobicContact CE1-CG2 4.46Å; F194-W253 HydrophobicContact CE2-CH2 4.4Å; F194-W253 HydrophobicContact CE2-CZ3 4.24Å; F194-W253 HydrophobicContact CZ-CE3 4.45Å; F194-W253 HydrophobicContact CZ-CH2 4.03Å; F194-W253 AromaticContact CZ-CZ3 3.54Å; F194-W253 HydrophobicContact CZ-CZ3 3.54Å; F194-R254 VanDerWaalsContact CD1-NH2 3.34Å; F194-R254 VanDerWaalsContact CE1-NH2 3.32Å; F194-R254 VanDerWaalsContact CE2-NH2 3.34Å; F194-R254 VanDerWaalsContact CZ-NH2 3.34Å
195	I	91.2	Very high	91.6	Very high	12 Å²	12	67.2 Å²	67.2	6%	0.062	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	122.2	169.6	-62.1	171.4	0	0	0	108.3	Q184 H197 K218 K235 D237	Q184-I195 HydrophobicContact CB-CG2 3.81Å; I195-H197 WeakPolarHBondContact CG2-CE1 3.49Å; I195-K218 WeakPolarHBondContact O-CE 3.49Å; I195-K218 PolarHBondContact O-NZ 3.31Å; I195-K235 HydrophobicContact CD1-CB 4.05Å; I195-D237 VanDerWaalsContact CB-OD1 3.31Å; I195-D237 WeakPolarHBondContact CB-OD1 3.41Å; I195-D237 WeakPolarHBondContact CD1-OD1 3.22Å; I195-D237 WeakPolarHBondContact CG1-OD1 3.38Å; I195-D237 PolarHBondContact N-OD1 3.05Å; I195-D237 VanDerWaalsContact N-OD1 3.1Å; I195-D237 PolarHBondContact N-OD2 3.33Å
196	M	93.5	Very high	91.7	Very high	34 Å²	34	66.7 Å²	66.7	17%	0.167	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	116.2	161.8	-175.2	175.1	71	0	0	109	Q184 K185 I187	Q184-M196 WeakPolarHBondContact CA-O 3.1Å; K185-M196 HydrophobicContact CB-CB 4.46Å; K185-M196 HydrophobicContact CB-CE 4.03Å; K185-M196 HydrophobicContact CD-CE 3.56Å; K185-M196 HydrophobicContact CG-CE 4.05Å; K185-M196 PolarHBondContact N-O 3.35Å; K185-M196 PolarHBondContact O-N 2.96Å; I187-M196 HydrophobicContact CD1-CB 3.53Å; I187-M196 HydrophobicContact CD1-CE 4Å; I187-M196 HydrophobicContact CD1-CG 4.15Å; I187-M196 HydrophobicContact CD1-SD 3.66Å; I187-M196 HydrophobicContact CG1-CB 4.06Å
197	H	96.2	Very high	91.9	Very high	1 Å²	1	63 Å²	63	1%	0.005	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	133.4	177	-56.9	-67	0	0	0	110.4	Y182 I195 F199 Q213 S217 F234 K235	Y182-H197 HydrophobicContact CE2-CB 3.94Å; Y182-H197 AromaticContact CE2-ND1 3.67Å; Y182-H197 AromaticContact CZ-ND1 3.76Å; Y182-H197 PolarHBondContact OH-ND1 3.49Å; I195-H197 WeakPolarHBondContact CG2-CE1 3.49Å; H197-F199 HydrophobicContact CB-CD2 4.26Å; H197-F199 HydrophobicContact CB-CE2 3.54Å; H197-F199 HydrophobicContact CB-CZ 4.13Å; H197-Q213 WeakPolarHBondContact O-CA 3.49Å; H197-S217 WeakPolarHBondContact O-CB 3.02Å; H197-S217 PolarHBondContact O-OG 3.46Å; H197-F234 AromaticContact CE1-CE2 3.85Å; H197-F234 AromaticContact ND1-CD2 3.94Å; H197-F234 AromaticContact ND1-CE2 3.79Å; H197-K235 PolarHBondContact CE1-O 3.24Å
198	C	97.9	Very high	92.3	Very high	0 Å²	0	62.7 Å²	62.7	0%	0	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	116.4	174.3	-64.5	0	0	0	0	108.7	Y182 Y183 L211 Q213	Y182-C198 WeakPolarHBondContact CA-O 3.39Å; Y182-C198 WeakPolarHBondContact CD2-O 3.32Å; Y183-C198 HydrophobicContact CD1-CB 4.18Å; Y183-C198 HydrophobicContact CD2-CB 3.64Å; Y183-C198 HydrophobicContact CE1-CB 3.88Å; Y183-C198 HydrophobicContact CE2-CB 3.29Å; Y183-C198 VanDerWaalsContact CE2-SG 3.6Å; Y183-C198 HydrophobicContact CG-CB 4.08Å; Y183-C198 VanDerWaalsContact CZ-CB 3.42Å; Y183-C198 PolarHBondContact N-O 2.88Å; Y183-C198 WeakPolarHBondContact O-CB 3.41Å; Y183-C198 PolarHBondContact O-N 3.08Å; C198-L211 HydrophobicContact CB-CD1 4.14Å; C198-Q213 HydrophobicContact CB-CB 4.49Å
199	F	98.5	Very high	92.7	Very high	0 Å²	0	62.4 Å²	62.4	0%	0	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	125.3	178.7	-62.8	-86.2	0	0	0	109.2	Y175 F176 P179 Y182 H197 L211 I212 V221 F234	Y175-F199 HydrophobicContact CE1-CB 4.21Å; Y175-F199 HydrophobicContact CE1-CD1 4.38Å; F176-F199 HydrophobicContact CD1-CD1 4.43Å; F176-F199 HydrophobicContact CD1-CD2 4.09Å; F176-F199 HydrophobicContact CD1-CE1 4.47Å; F176-F199 HydrophobicContact CD1-CE2 4.13Å; F176-F199 HydrophobicContact CD1-CG 4.24Å; F176-F199 HydrophobicContact CD1-CZ 4.34Å; F176-F199 HydrophobicContact CE1-CD2 4.36Å; F176-F199 HydrophobicContact CE1-CG 4.46Å; P179-F199 HydrophobicContact CB-CD1 3.74Å; P179-F199 HydrophobicContact CB-CE1 4.04Å; P179-F199 HydrophobicContact CG-CD1 4.07Å; P179-F199 HydrophobicContact CG-CE1 3.89Å; Y182-F199 AromaticContact CD2-CD1 3.78Å; Y182-F199 HydrophobicContact CD2-CD1 3.78Å; Y182-F199 AromaticContact CD2-CE1 3.53Å; Y182-F199 HydrophobicContact CD2-CE1 3.53Å; Y182-F199 HydrophobicContact CD2-CE2 4.46Å; Y182-F199 HydrophobicContact CD2-CG 4.35Å; Y182-F199 AromaticContact CD2-CZ 3.89Å; Y182-F199 HydrophobicContact CD2-CZ 3.89Å; Y182-F199 HydrophobicContact CE2-CE1 4.08Å; Y182-F199 HydrophobicContact CE2-CE2 4.5Å; Y182-F199 AromaticContact CE2-CZ 3.99Å; Y182-F199 HydrophobicContact CE2-CZ 3.99Å; Y182-F199 HydrophobicContact CG-CE1 4.38Å; H197-F199 HydrophobicContact CB-CD2 4.26Å; H197-F199 HydrophobicContact CB-CE2 3.54Å; H197-F199 HydrophobicContact CB-CZ 4.13Å; F199-L211 CarbonylContact O-C 3.56Å; F199-L211 WeakPolarHBondContact O-CA 3.29Å; F199-I212 HydrophobicContact CB-CB 4.34Å; F199-I212 HydrophobicContact CB-CD1 4.38Å; F199-I212 PolarHBondContact N-O 3.07Å; F199-I212 PolarHBondContact O-N 2.85Å; F199-V221 HydrophobicContact CE2-CG2 3.69Å; F199-V221 HydrophobicContact CZ-CG2 3.5Å; F199-F234 AromaticContact CE1-CE1 3.83Å; F199-F234 HydrophobicContact CE1-CE1 3.83Å; F199-F234 AromaticContact CE1-CZ 3.9Å; F199-F234 HydrophobicContact CE1-CZ 3.9Å; F199-F234 HydrophobicContact CZ-CE1 4.02Å; F199-F234 HydrophobicContact CZ-CE2 4.23Å; F199-F234 AromaticContact CZ-CZ 3.59Å; F199-F234 HydrophobicContact CZ-CZ 3.59Å
200	E	98.4	Very high	93.5	Very high	58 Å²	58	58.3 Å²	58.3	27%	0.271	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	119.3	168.9	-69.6	-176.9	-142.4	0	0	108.3	Y175 V181 Y183 N209 Y210 L211	Y175-E200 PolarHBondContact OH-O 3.26Å; V181-E200 HydrophobicContact CB-CB 3.9Å; V181-E200 HydrophobicContact CG1-CB 3.73Å; V181-E200 HydrophobicContact CG1-CG 4.17Å; V181-E200 PolarHBondContact O-N 2.54Å; V181-E200 VanDerWaalsContact O-N 3.08Å; Y183-E200 HydrophobicContact CE1-CG 4.33Å; Y183-E200 WeakPolarHBondContact CE1-OE1 3.41Å; E200-N209 PolarHBondContact OE2-ND2 3.26Å; E200-N209 VanDerWaalsContact OE2-ND2 3.07Å; E200-Y210 CarbonylContact C-O 3.55Å; E200-Y210 VanDerWaalsContact CA-O 3.32Å; E200-Y210 WeakPolarHBondContact CA-O 3.45Å; E200-L211 HydrophobicContact CG-CD1 3.95Å
201	Y	98.6	Very high	94.4	Very high	21 Å²	21	56.7 Å²	56.7	8%	0.082	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	119.4	179	175.2	-104.6	0	0	0	109.7	F169 V171 P172 Y175 D203 P204 N209 Y210	F169-Y201 HydrophobicContact CD2-CD1 4.43Å; F169-Y201 HydrophobicContact CE2-CD1 4.49Å; V171-Y201 HydrophobicContact CG1-CD1 4.37Å; V171-Y201 HydrophobicContact CG1-CD2 3.84Å; V171-Y201 HydrophobicContact CG1-CE2 4.08Å; V171-Y201 HydrophobicContact CG1-CG 3.98Å; V171-Y201 HydrophobicContact CG2-CD1 3.72Å; V171-Y201 HydrophobicContact CG2-CE1 4.02Å; V171-Y201 HydrophobicContact CG2-CG 4.04Å; P172-Y201 WeakPolarHBondContact CD-OH 2.92Å; Y175-Y201 HydrophobicContact CD1-CD2 4.2Å; Y175-Y201 HydrophobicContact CD2-CD2 4.04Å; Y175-Y201 HydrophobicContact CD2-CE2 4.49Å; Y175-Y201 HydrophobicContact CE1-CD2 4.18Å; Y175-Y201 HydrophobicContact CE2-CD2 4.03Å; Y175-Y201 HydrophobicContact CG-CD2 4.15Å; Y201-D203 HydrophobicContact CE1-CB 4.08Å; Y201-P204 WeakPolarHBondContact OH-CD 3.45Å; Y201-N209 CarbonylContact O-C 3.54Å; Y201-N209 WeakPolarHBondContact O-CA 3.47Å; Y201-N209 PolarHBondContact O-OD1 3.03Å; Y201-Y210 HydrophobicContact CD1-CD2 4.15Å; Y201-Y210 PolarHBondContact N-O 3.49Å; Y201-Y210 PolarHBondContact O-N 3.41Å
202	K	98.1	Very high	95.1	Very high	139 Å²	139	53.1 Å²	53.1	60%	0.604	28%	0.278	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.5	114.6	171.8	-171.8	176	-176.6	177.3	0	109.5	G207 V208	K202-G207 VanDerWaalsContact CE-O 3.27Å; K202-G207 WeakPolarHBondContact CE-O 3.27Å; K202-V208 CarbonylContact C-O 3.51Å; K202-V208 WeakPolarHBondContact CA-O 3.41Å
203	D	97	Very high	95.8	Very high	19 Å²	19	50.2 Å²	50.2	10%	0.102	27%	0.269	C	S	.	.			trans	-65.3	124.6	176.3	-176.3	-47.7	0	0	0	109.6	Y201 E205 T206 G207 V208 Y210	Y201-D203 HydrophobicContact CE1-CB 4.08Å; D203-E205 VanDerWaalsContact C-N 3.31Å; D203-E205 PolarHBondContact O-N 2.76Å; D203-E205 WeakPolarHBondContact OD1-CA 3.15Å; D203-E205 WeakPolarHBondContact OD1-CB 3.35Å; D203-E205 PolarHBondContact OD1-N 3.1Å; D203-T206 WeakPolarHBondContact CB-OG1 3.14Å; D203-T206 PolarHBondContact OD1-N 2.75Å; D203-T206 VanDerWaalsContact OD1-N 3.12Å; D203-G207 WeakPolarHBondContact O-CA 3.3Å; D203-G207 PolarHBondContact O-N 3.15Å; D203-V208 PolarHBondContact N-O 2.97Å; D203-Y210 HydrophobicContact CB-CE2 3.87Å
204	P	95.4	Very high	96	Very high	109 Å²	109	46.1 Å²	46.1	71%	0.708	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.6	-22.7	-176.6	29.7	-35.1	0	0	0	113.6	Y201	Y201-P204 WeakPolarHBondContact OH-CD 3.45Å
205	E	94	Very high	96.3	Very high	147 Å²	147	48.1 Å²	48.1	69%	0.687	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.6	-45.2	179.8	-60.4	-179.4	-165.5	0	0	110.9	R73 D203	R73-E205 IonicContact NH2-OE1 2.57Å; D203-E205 VanDerWaalsContact C-N 3.31Å; D203-E205 PolarHBondContact O-N 2.76Å; D203-E205 WeakPolarHBondContact OD1-CA 3.15Å; D203-E205 WeakPolarHBondContact OD1-CB 3.35Å; D203-E205 PolarHBondContact OD1-N 3.1Å
206	T	95.1	Very high	96.6	Very high	81 Å²	81	48.5 Å²	48.5	50%	0.497	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.6	-22.1	-175.1	69	0	0	0	0	113.6	D203 V208	D203-T206 WeakPolarHBondContact CB-OG1 3.14Å; D203-T206 PolarHBondContact OD1-N 2.75Å; D203-T206 VanDerWaalsContact OD1-N 3.12Å; T206-V208 PolarHBondContact O-N 2.97Å; T206-V208 WeakPolarHBondContact OG1-CB 3.49Å; T206-V208 WeakPolarHBondContact OG1-CG2 3.38Å; T206-V208 PolarHBondContact OG1-N 3.48Å
207	G	96.6	Very high	96.8	Very high	38 Å²	38	46.9 Å²	46.9	39%	0.392	26%	0.258	S	S	.	.			trans	76	0.1	-173.4	0	0	0	0	0	114.7	K202 D203	K202-G207 VanDerWaalsContact CE-O 3.27Å; K202-G207 WeakPolarHBondContact CE-O 3.27Å; D203-G207 WeakPolarHBondContact O-CA 3.3Å; D203-G207 PolarHBondContact O-N 3.15Å
208	V	96.9	Very high	96.8	Very high	54 Å²	54	48.2 Å²	48.2	33%	0.327	26%	0.264	S	S	.	.			trans	-69	140.9	178.6	178.8	0	0	0	0	109.9	K202 D203 T206 Y210	K202-V208 CarbonylContact C-O 3.51Å; K202-V208 WeakPolarHBondContact CA-O 3.41Å; D203-V208 PolarHBondContact N-O 2.97Å; T206-V208 PolarHBondContact O-N 2.97Å; T206-V208 WeakPolarHBondContact OG1-CB 3.49Å; T206-V208 WeakPolarHBondContact OG1-CG2 3.38Å; T206-V208 PolarHBondContact OG1-N 3.48Å; V208-Y210 HydrophobicContact CB-CE1 4.49Å; V208-Y210 HydrophobicContact CB-CE2 3.92Å; V208-Y210 HydrophobicContact CG1-CD1 4.23Å; V208-Y210 HydrophobicContact CG1-CD2 4.38Å; V208-Y210 HydrophobicContact CG1-CE1 3.63Å; V208-Y210 HydrophobicContact CG1-CE2 3.8Å
209	N	97.5	Very high	96.8	Very high	87 Å²	87	48.3 Å²	48.3	47%	0.465	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	128.7	174.9	-165.9	34.8	0	0	0	110	E200 Y201	E200-N209 PolarHBondContact OE2-ND2 3.26Å; E200-N209 VanDerWaalsContact OE2-ND2 3.07Å; Y201-N209 CarbonylContact O-C 3.54Å; Y201-N209 WeakPolarHBondContact O-CA 3.47Å; Y201-N209 PolarHBondContact O-OD1 3.03Å
210	Y	98.3	Very high	96.8	Very high	10 Å²	10	48.3 Å²	48.3	4%	0.039	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	138.5	178.4	-53.3	-86.3	0	0	0	110.2	V83 E167 F169 E200 Y201 D203 V208	V83-Y210 HydrophobicContact CG2-CD1 3.93Å; V83-Y210 HydrophobicContact CG2-CE1 3.98Å; E167-Y210 PolarHBondContact OE1-OH 3.16Å; F169-Y210 HydrophobicContact CB-CE1 4.38Å; F169-Y210 HydrophobicContact CB-CE2 4.11Å; F169-Y210 AromaticContact CD1-CD1 3.78Å; F169-Y210 HydrophobicContact CD1-CD1 3.78Å; F169-Y210 AromaticContact CD1-CE1 3.7Å; F169-Y210 HydrophobicContact CD1-CE1 3.7Å; F169-Y210 HydrophobicContact CD1-CE2 4.49Å; F169-Y210 HydrophobicContact CD1-CG 4.22Å; F169-Y210 HydrophobicContact CD2-CD1 4.31Å; F169-Y210 AromaticContact CD2-CD2 3.7Å; F169-Y210 HydrophobicContact CD2-CD2 3.7Å; F169-Y210 HydrophobicContact CD2-CE1 4.47Å; F169-Y210 AromaticContact CD2-CE2 3.88Å; F169-Y210 HydrophobicContact CD2-CE2 3.88Å; F169-Y210 AromaticContact CD2-CG 3.92Å; F169-Y210 HydrophobicContact CD2-CG 3.92Å; F169-Y210 AromaticContact CE1-CD1 3.61Å; F169-Y210 HydrophobicContact CE1-CD1 3.61Å; F169-Y210 HydrophobicContact CE1-CE1 4.03Å; F169-Y210 AromaticContact CE1-CG 3.96Å; F169-Y210 HydrophobicContact CE1-CG 3.96Å; F169-Y210 HydrophobicContact CE2-CD1 4.15Å; F169-Y210 AromaticContact CE2-CD2 3.78Å; F169-Y210 HydrophobicContact CE2-CD2 3.78Å; F169-Y210 HydrophobicContact CE2-CE2 4.4Å; F169-Y210 AromaticContact CE2-CG 3.62Å; F169-Y210 HydrophobicContact CE2-CG 3.62Å; F169-Y210 HydrophobicContact CG-CD1 4.12Å; F169-Y210 HydrophobicContact CG-CD2 4.11Å; F169-Y210 AromaticContact CG-CE1 3.94Å; F169-Y210 HydrophobicContact CG-CE1 3.94Å; F169-Y210 AromaticContact CG-CE2 3.91Å; F169-Y210 HydrophobicContact CG-CE2 3.91Å; F169-Y210 HydrophobicContact CG-CG 4.2Å; F169-Y210 AromaticContact CG-CZ 3.82Å; F169-Y210 AromaticContact CZ-CD1 3.79Å; F169-Y210 HydrophobicContact CZ-CD1 3.79Å; F169-Y210 HydrophobicContact CZ-CD2 4.26Å; F169-Y210 AromaticContact CZ-CG 3.63Å; F169-Y210 HydrophobicContact CZ-CG 3.63Å; E200-Y210 CarbonylContact C-O 3.55Å; E200-Y210 VanDerWaalsContact CA-O 3.32Å; E200-Y210 WeakPolarHBondContact CA-O 3.45Å; Y201-Y210 HydrophobicContact CD1-CD2 4.15Å; Y201-Y210 PolarHBondContact N-O 3.49Å; Y201-Y210 PolarHBondContact O-N 3.41Å; D203-Y210 HydrophobicContact CB-CE2 3.87Å; V208-Y210 HydrophobicContact CB-CE1 4.49Å; V208-Y210 HydrophobicContact CB-CE2 3.92Å; V208-Y210 HydrophobicContact CG1-CD1 4.23Å; V208-Y210 HydrophobicContact CG1-CD2 4.38Å; V208-Y210 HydrophobicContact CG1-CE1 3.63Å; V208-Y210 HydrophobicContact CG1-CE2 3.8Å
211	L	98.3	Very high	96.7	Very high	60 Å²	60	45.6 Å²	45.6	31%	0.314	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	110	172.6	178.2	63.6	0	0	0	109.6	V95 C198 F199 E200 Q213	V95-L211 WeakPolarHBondContact CG2-O 3.41Å; C198-L211 HydrophobicContact CB-CD1 4.14Å; F199-L211 CarbonylContact O-C 3.56Å; F199-L211 WeakPolarHBondContact O-CA 3.29Å; E200-L211 HydrophobicContact CG-CD1 3.95Å; L211-Q213 HydrophobicContact CG-CG 4.39Å
212	I	98.6	Very high	96.7	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	116.5	174.5	-49.9	114.2	0	0	0	108.6	F81 V95 F169 V171 F176 F199 T216	F81-I212 HydrophobicContact CE1-CG2 4.18Å; V95-I212 HydrophobicContact CG1-CB 4.45Å; V95-I212 HydrophobicContact CG1-CG1 3.85Å; V95-I212 HydrophobicContact CG1-CG2 4.33Å; F169-I212 HydrophobicContact CE2-CD1 4.47Å; F169-I212 HydrophobicContact CZ-CG1 4.38Å; V171-I212 HydrophobicContact CG2-CD1 4.19Å; F176-I212 HydrophobicContact CE1-CD1 4.34Å; F176-I212 HydrophobicContact CE1-CG2 4.24Å; F176-I212 HydrophobicContact CZ-CD1 4.43Å; F199-I212 HydrophobicContact CB-CB 4.34Å; F199-I212 HydrophobicContact CB-CD1 4.38Å; F199-I212 PolarHBondContact N-O 3.07Å; F199-I212 PolarHBondContact O-N 2.85Å; I212-T216 HydrophobicContact CG2-CG2 3.84Å
213	Q	96.9	Very high	96.7	Very high	56 Å²	56	38 Å²	38	26%	0.262	22%	0.219	S	C	.	.			trans	-143.3	179.7	-175	64	-178.2	-9.3	0	0	113.4	H197 C198 L211 T216 S217	H197-Q213 WeakPolarHBondContact O-CA 3.49Å; C198-Q213 HydrophobicContact CB-CB 4.49Å; L211-Q213 HydrophobicContact CG-CG 4.39Å; Q213-T216 WeakPolarHBondContact O-CB 3.17Å; Q213-T216 PolarHBondContact O-N 2.8Å; Q213-S217 VanDerWaalsContact C-OG 3.28Å; Q213-S217 PolarHBondContact O-N 3.03Å
214	G	93	Very high	96.7	Very high	22 Å²	22	37.1 Å²	37.1	23%	0.227	21%	0.214	C	C	.	.	H	α-helix	trans	66.5	-138.4	173.1	0	0	0	0	0	114.1	T216 S217 K218	G214-T216 VanDerWaalsContact C-N 3.33Å; G214-S217 PolarHBondContact N-OG 3.1Å; G214-S217 PolarHBondContact O-OG 3.07Å; G214-K218 PolarHBondContact O-N 3.02Å
215	M	93.3	Very high	96.8	Very high	62 Å²	62	32.3 Å²	32.3	31%	0.305	18%	0.183	S	C	.	.	H	α-helix	trans	-67.7	-35.9	178.7	-175.8	172.2	62.5	0	0	111.8	Y137 V145 S217 K218 L219	Y137-M215 WeakPolarHBondContact CB-SD 3.34Å; Y137-M215 HydrophobicContact CD1-CG 4.21Å; Y137-M215 HydrophobicContact CD1-SD 4.34Å; Y137-M215 HydrophobicContact CG-CG 4.15Å; Y137-M215 HydrophobicContact CG-SD 3.91Å; V145-M215 HydrophobicContact CB-CE 4.1Å; V145-M215 HydrophobicContact CB-SD 4.24Å; V145-M215 HydrophobicContact CG1-CE 3.91Å; V145-M215 HydrophobicContact CG1-SD 4.04Å; V145-M215 HydrophobicContact CG2-CE 3.96Å; M215-S217 VanDerWaalsContact C-N 3.33Å; M215-S217 PolarHBondContact O-N 3.3Å; M215-K218 PolarHBondContact O-N 2.81Å; M215-L219 HydrophobicContact CG-CD1 4.32Å; M215-L219 PolarHBondContact O-N 2.62Å
216	T	97.4	Very high	97	Very high	21 Å²	21	25.8 Å²	25.8	13%	0.129	15%	0.152	C	C	.	.	H	α-helix	trans	-56.1	-48.3	176.4	-51.6	0	0	0	0	110.9	F81 V95 F97 I212 Q213 G214 L219 A220	F81-T216 HydrophobicContact CD1-CG2 3.8Å; F81-T216 HydrophobicContact CE1-CG2 3.63Å; V95-T216 HydrophobicContact CG1-CG2 4.47Å; V95-T216 PolarHBondContact O-OG1 3.29Å; F97-T216 HydrophobicContact CD2-CG2 4.09Å; F97-T216 HydrophobicContact CE2-CG2 4.08Å; I212-T216 HydrophobicContact CG2-CG2 3.84Å; Q213-T216 WeakPolarHBondContact O-CB 3.17Å; Q213-T216 PolarHBondContact O-N 2.8Å; G214-T216 VanDerWaalsContact C-N 3.33Å; T216-L219 PolarHBondContact O-N 2.88Å; T216-A220 WeakPolarHBondContact O-CB 3.43Å; T216-A220 PolarHBondContact O-N 2.88Å
217	S	97.5	Very high	97.1	Very high	0 Å²	0	22 Å²	22	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-68.2	-37.1	178.4	67.8	0	0	0	0	112.8	H197 Q213 G214 M215 L219 A220 V221	H197-S217 WeakPolarHBondContact O-CB 3.02Å; H197-S217 PolarHBondContact O-OG 3.46Å; Q213-S217 VanDerWaalsContact C-OG 3.28Å; Q213-S217 PolarHBondContact O-N 3.03Å; G214-S217 PolarHBondContact N-OG 3.1Å; G214-S217 PolarHBondContact O-OG 3.07Å; M215-S217 VanDerWaalsContact C-N 3.33Å; M215-S217 PolarHBondContact O-N 3.3Å; S217-L219 PolarHBondContact O-N 3.18Å; S217-A220 PolarHBondContact O-N 3.05Å; S217-V221 VanDerWaalsContact O-CG2 3.32Å; S217-V221 WeakPolarHBondContact O-CG2 3.49Å; S217-V221 PolarHBondContact O-N 2.91Å
218	K	95.4	Very high	97.1	Very high	29 Å²	29	21.9 Å²	21.9	13%	0.126	12%	0.119	C	C	.	.	H	α-helix	trans	-60.5	-44	174.6	-75.5	-168	177.6	-150.2	0	112.3	Y137 I195 G214 M215 L222 D237	Y137-K218 HydrophobicContact CE1-CD 4.42Å; I195-K218 WeakPolarHBondContact O-CE 3.49Å; I195-K218 PolarHBondContact O-NZ 3.31Å; G214-K218 PolarHBondContact O-N 3.02Å; M215-K218 PolarHBondContact O-N 2.81Å; K218-L222 WeakPolarHBondContact O-CB 3.37Å; K218-L222 PolarHBondContact O-N 2.91Å; K218-D237 IonicContact NZ-OD2 3.41Å; K218-D237 PolarHBondContact NZ-OD2 3.29Å
219	L	97.2	Very high	97	Very high	2 Å²	2	25.2 Å²	25.2	1%	0.01	13%	0.131	C	C	.	.	H	α-helix	trans	-66.4	-41.5	176.8	-75.7	174.8	0	0	0	112.1	V66 F97 Y137 P147 M215 T216 S217 V221 L222 V223	V66-L219 HydrophobicContact CG2-CD1 4.02Å; F97-L219 HydrophobicContact CD2-CB 4.4Å; F97-L219 HydrophobicContact CD2-CD1 4.27Å; F97-L219 HydrophobicContact CE2-CB 3.76Å; F97-L219 HydrophobicContact CE2-CD1 4.44Å; Y137-L219 HydrophobicContact CD2-CD2 4.05Å; Y137-L219 HydrophobicContact CE2-CD2 3.5Å; Y137-L219 VanDerWaalsContact CE2-CD2 3.5Å; Y137-L219 HydrophobicContact CE2-CG 4.17Å; P147-L219 HydrophobicContact CB-CD1 4.18Å; P147-L219 HydrophobicContact CB-CD2 3.77Å; P147-L219 HydrophobicContact CG-CD1 4.14Å; P147-L219 HydrophobicContact CG-CD2 3.44Å; P147-L219 VanDerWaalsContact CG-CD2 3.44Å; P147-L219 HydrophobicContact CG-CG 4.45Å; M215-L219 HydrophobicContact CG-CD1 4.32Å; M215-L219 PolarHBondContact O-N 2.62Å; T216-L219 PolarHBondContact O-N 2.88Å; S217-L219 PolarHBondContact O-N 3.18Å; L219-V221 PolarHBondContact O-N 3.08Å; L219-L222 PolarHBondContact O-N 3.37Å; L219-V223 WeakPolarHBondContact O-CG2 3.43Å; L219-V223 PolarHBondContact O-N 3.33Å
220	A	98.5	Very high	96.9	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-61.3	-44.8	176.6	0	0	0	0	0	112	L79 F81 F97 F176 T216 S217 V223 A224	L79-A220 HydrophobicContact CD1-CB 3.82Å; F81-A220 HydrophobicContact CZ-CB 4.13Å; F97-A220 HydrophobicContact CZ-CB 4.29Å; F176-A220 HydrophobicContact CD1-CB 3.58Å; F176-A220 HydrophobicContact CD2-CB 4.01Å; F176-A220 HydrophobicContact CE1-CB 3.58Å; F176-A220 HydrophobicContact CE2-CB 4.01Å; F176-A220 HydrophobicContact CG-CB 3.8Å; F176-A220 HydrophobicContact CZ-CB 3.8Å; T216-A220 WeakPolarHBondContact O-CB 3.43Å; T216-A220 PolarHBondContact O-N 2.88Å; S217-A220 PolarHBondContact O-N 3.05Å; A220-V223 PolarHBondContact O-N 2.85Å; A220-A224 WeakPolarHBondContact O-CB 3.33Å; A220-A224 PolarHBondContact O-N 2.91Å
221	V	97.6	Very high	96.7	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-62	-46.8	174.1	172.5	0	0	0	0	110.9	F176 F199 S217 L219 V223 A224 L225 F234 I236 F238	F176-V221 HydrophobicContact CB-CG2 4.35Å; F199-V221 HydrophobicContact CE2-CG2 3.69Å; F199-V221 HydrophobicContact CZ-CG2 3.5Å; S217-V221 VanDerWaalsContact O-CG2 3.32Å; S217-V221 WeakPolarHBondContact O-CG2 3.49Å; S217-V221 PolarHBondContact O-N 2.91Å; L219-V221 PolarHBondContact O-N 3.08Å; V221-V223 PolarHBondContact O-N 3.43Å; V221-A224 PolarHBondContact O-N 2.86Å; V221-L225 HydrophobicContact CG1-CD1 3.83Å; V221-L225 HydrophobicContact CG1-CG 4.15Å; V221-L225 VanDerWaalsContact O-CG 3.26Å; V221-L225 WeakPolarHBondContact O-CG 3.46Å; V221-L225 PolarHBondContact O-N 3.24Å; V221-F234 HydrophobicContact CG2-CE2 4.37Å; V221-F234 HydrophobicContact CG2-CZ 4.04Å; V221-I236 HydrophobicContact CG1-CG2 4.25Å; V221-F238 HydrophobicContact CB-CE2 4.46Å; V221-F238 HydrophobicContact CG1-CD2 4.35Å; V221-F238 HydrophobicContact CG1-CE2 4Å
222	L	97.4	Very high	96.6	Very high	2 Å²	2	27.1 Å²	27.1	1%	0.01	15%	0.146	C	C	.	.	H	α-helix	trans	-58.1	-47.2	179.7	178.2	59.3	0	0	0	111.8	L134 K218 L219 A224 L225 I226 F238 L243	L134-L222 HydrophobicContact CD1-CD2 4.12Å; L134-L222 HydrophobicContact CD1-CG 4.5Å; K218-L222 WeakPolarHBondContact O-CB 3.37Å; K218-L222 PolarHBondContact O-N 2.91Å; L219-L222 PolarHBondContact O-N 3.37Å; L222-A224 VanDerWaalsContact C-N 3.34Å; L222-A224 PolarHBondContact O-N 3.48Å; L222-L225 PolarHBondContact O-N 2.95Å; L222-I226 HydrophobicContact CD1-CD1 3.98Å; L222-I226 HydrophobicContact CD1-CG1 4.31Å; L222-I226 HydrophobicContact CG-CD1 3.92Å; L222-I226 VanDerWaalsContact O-CG1 3.28Å; L222-I226 WeakPolarHBondContact O-CG1 3.45Å; L222-I226 PolarHBondContact O-N 3.2Å; L222-F238 HydrophobicContact CB-CE1 4.45Å; L222-F238 HydrophobicContact CB-CE2 4.39Å; L222-F238 HydrophobicContact CB-CZ 3.93Å; L222-F238 HydrophobicContact CD1-CD1 4.47Å; L222-F238 HydrophobicContact CD1-CE1 4.16Å; L222-F238 HydrophobicContact CD1-CZ 4.4Å; L222-L243 HydrophobicContact CD1-CD1 3.77Å; L222-L243 HydrophobicContact CD1-CD2 3.97Å; L222-L243 HydrophobicContact CD1-CG 3.83Å
223	V	98.3	Very high	96.4	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-64.2	-40.5	177.4	170.9	0	0	0	0	111.4	V68 L70 L79 L134 V149 L173 L219 A220 V221 I226 I227	V68-V223 HydrophobicContact CG1-CG2 3.95Å; L70-V223 HydrophobicContact CD1-CG1 4.36Å; L70-V223 HydrophobicContact CD2-CG1 4.36Å; L79-V223 HydrophobicContact CD2-CG1 4.43Å; L134-V223 HydrophobicContact CD1-CG2 3.7Å; V149-V223 HydrophobicContact CG2-CG2 4.32Å; L173-V223 HydrophobicContact CD1-CG1 4.13Å; L219-V223 WeakPolarHBondContact O-CG2 3.43Å; L219-V223 PolarHBondContact O-N 3.33Å; A220-V223 PolarHBondContact O-N 2.85Å; V221-V223 PolarHBondContact O-N 3.43Å; V223-I226 PolarHBondContact O-N 3.29Å; V223-I227 HydrophobicContact CG1-CD1 3.53Å; V223-I227 HydrophobicContact CG1-CG1 4.33Å; V223-I227 WeakPolarHBondContact O-CB 3.43Å; V223-I227 WeakPolarHBondContact O-CG1 3.34Å; V223-I227 PolarHBondContact O-N 3.38Å
224	A	98.3	Very high	96.3	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-63	-42.6	175.8	0	0	0	0	0	112	L173 F176 L177 A220 V221 L222 I227 L228	L173-A224 HydrophobicContact CD1-CB 3.8Å; L173-A224 HydrophobicContact CG-CB 4.07Å; F176-A224 HydrophobicContact CB-CB 4.02Å; L177-A224 HydrophobicContact CD1-CB 4.37Å; L177-A224 HydrophobicContact CD2-CB 3.88Å; L177-A224 HydrophobicContact CG-CB 3.88Å; A220-A224 WeakPolarHBondContact O-CB 3.33Å; A220-A224 PolarHBondContact O-N 2.91Å; V221-A224 PolarHBondContact O-N 2.86Å; L222-A224 VanDerWaalsContact C-N 3.34Å; L222-A224 PolarHBondContact O-N 3.48Å; A224-I227 PolarHBondContact O-N 2.98Å; A224-L228 HydrophobicContact CB-CD1 4.38Å; A224-L228 WeakPolarHBondContact O-CB 3.08Å; A224-L228 WeakPolarHBondContact O-CG 3.33Å; A224-L228 PolarHBondContact O-N 2.75Å
225	L	97.4	Very high	96.2	Very high	8 Å²	8	35.8 Å²	35.8	4%	0.042	19%	0.192	C	C	.	.	H	α-helix	trans	-61.2	-46.5	175.4	-70	171.9	0	0	0	111.8	L177 V221 L222 E229 Q230 P232 I236 F238 L240 L243	L177-L225 HydrophobicContact CD2-CD2 3.69Å; L177-L225 HydrophobicContact CD2-CG 4.02Å; V221-L225 HydrophobicContact CG1-CD1 3.83Å; V221-L225 HydrophobicContact CG1-CG 4.15Å; V221-L225 VanDerWaalsContact O-CG 3.26Å; V221-L225 WeakPolarHBondContact O-CG 3.46Å; V221-L225 PolarHBondContact O-N 3.24Å; L222-L225 PolarHBondContact O-N 2.95Å; L225-E229 WeakPolarHBondContact O-CA 3.31Å; L225-E229 PolarHBondContact O-N 3.48Å; L225-E229 VanDerWaalsContact O-N 3.11Å; L225-Q230 WeakPolarHBondContact CD2-O 2.92Å; L225-P232 HydrophobicContact CD2-CG 4.31Å; L225-I236 HydrophobicContact CD1-CD1 3.85Å; L225-I236 HydrophobicContact CD2-CD1 4.44Å; L225-F238 HydrophobicContact CD1-CB 4.47Å; L225-F238 HydrophobicContact CD1-CD2 3.73Å; L225-F238 HydrophobicContact CD1-CE2 4.34Å; L225-F238 HydrophobicContact CD1-CG 4.33Å; L225-L240 HydrophobicContact CD1-CD2 4.17Å; L225-L240 HydrophobicContact CD2-CD2 3.71Å; L225-L240 HydrophobicContact CG-CD2 4.49Å; L225-L243 HydrophobicContact CB-CD2 3.92Å; L225-L243 HydrophobicContact CD1-CD1 4.2Å
226	I	97.3	Very high	96.1	Very high	10 Å²	10	34.4 Å²	34.4	5%	0.051	19%	0.185	C	C	.	.	H	α-helix	trans	-61.7	-47.5	179.3	-68.6	163.7	0	0	0	110.7	R46 L47 L134 L222 V223 L243 I244	R46-I226 HydrophobicContact CB-CG2 4.21Å; R46-I226 WeakPolarHBondContact CB-O 3.31Å; R46-I226 WeakPolarHBondContact CD-O 3.33Å; L47-I226 HydrophobicContact CD2-CG2 4.03Å; L47-I226 HydrophobicContact CG-CG2 4.4Å; L134-I226 HydrophobicContact CD2-CD1 4.03Å; L222-I226 HydrophobicContact CD1-CD1 3.98Å; L222-I226 HydrophobicContact CD1-CG1 4.31Å; L222-I226 HydrophobicContact CG-CD1 3.92Å; L222-I226 VanDerWaalsContact O-CG1 3.28Å; L222-I226 WeakPolarHBondContact O-CG1 3.45Å; L222-I226 PolarHBondContact O-N 3.2Å; V223-I226 PolarHBondContact O-N 3.29Å; I226-L243 HydrophobicContact CG1-CD2 3.77Å; I226-I244 HydrophobicContact CD1-CD1 3.99Å; I226-I244 HydrophobicContact CG1-CD1 4.38Å
227	I	97.8	Very high	95.6	Very high	1 Å²	1	36.2 Å²	36.2	1%	0.005	19%	0.194	C	C	.	.	H	α-helix	trans	-81.9	-41.6	-171	-67.9	174.5	0	0	0	112.1	A43 R46 L47 L70 L77 L173 V223 A224	A43-I227 HydrophobicContact CB-CD1 4.39Å; A43-I227 HydrophobicContact CB-CG1 4.3Å; A43-I227 HydrophobicContact CB-CG2 3.63Å; R46-I227 WeakPolarHBondContact CD-O 3.48Å; R46-I227 PolarHBondContact NH1-O 3.45Å; L47-I227 HydrophobicContact CD1-CD1 3.92Å; L47-I227 HydrophobicContact CD1-CG1 4.23Å; L47-I227 HydrophobicContact CD2-CD1 4.25Å; L47-I227 HydrophobicContact CD2-CG1 4.15Å; L47-I227 HydrophobicContact CG-CD1 4.15Å; L47-I227 HydrophobicContact CG-CG1 3.96Å; L70-I227 HydrophobicContact CD1-CD1 3.5Å; L70-I227 VanDerWaalsContact CD1-CD1 3.5Å; L70-I227 HydrophobicContact CD2-CD1 4.16Å; L77-I227 HydrophobicContact CD1-CG2 3.62Å; L173-I227 HydrophobicContact CD2-CB 3.91Å; L173-I227 HydrophobicContact CD2-CD1 3.9Å; L173-I227 HydrophobicContact CD2-CG2 3.75Å; V223-I227 HydrophobicContact CG1-CD1 3.53Å; V223-I227 HydrophobicContact CG1-CG1 4.33Å; V223-I227 WeakPolarHBondContact O-CB 3.43Å; V223-I227 WeakPolarHBondContact O-CG1 3.34Å; V223-I227 PolarHBondContact O-N 3.38Å; A224-I227 PolarHBondContact O-N 2.98Å
228	L	96.5	Very high	94.9	Very high	36 Å²	36	37.5 Å²	37.5	19%	0.188	20%	0.199	C	C	.	.	H	α-helix	trans	-89.9	-16.7	-172.6	-57.2	178.9	0	0	0	112.8	L173 D174 L177 A224 Q230	L173-L228 HydrophobicContact CD2-CD1 4.43Å; L173-L228 HydrophobicContact CD2-CD2 4.17Å; L173-L228 HydrophobicContact CD2-CG 4.12Å; L173-L228 HydrophobicContact CG-CD1 4.14Å; L173-L228 HydrophobicContact CG-CG 4.35Å; D174-L228 HydrophobicContact CB-CD1 4.14Å; L177-L228 HydrophobicContact CD1-CB 3.83Å; L177-L228 HydrophobicContact CD1-CD1 3.7Å; L177-L228 HydrophobicContact CD1-CG 4.34Å; L177-L228 HydrophobicContact CG-CD1 4.28Å; A224-L228 HydrophobicContact CB-CD1 4.38Å; A224-L228 WeakPolarHBondContact O-CB 3.08Å; A224-L228 WeakPolarHBondContact O-CG 3.33Å; A224-L228 PolarHBondContact O-N 2.75Å; L228-Q230 HydrophobicContact CB-CB 4.41Å; L228-Q230 WeakPolarHBondContact O-CG 3.37Å; L228-Q230 PolarHBondContact O-N 3.49Å; L228-Q230 VanDerWaalsContact O-N 3.14Å; L228-Q230 PolarHBondContact O-NE2 2.92Å
229	E	94.5	Very high	94.6	Very high	123 Å²	123	39.2 Å²	39.2	58%	0.575	21%	0.21	S	C	*	.			trans	49.6	37.6	-179.3	-65.2	177.3	154.8	0	0	112.3	R46 L225	R46-E229 IonicContact CZ-OE2 2.89Å; R46-E229 IonicContact NE-OE1 3.61Å; R46-E229 PolarHBondContact NE-OE1 3.03Å; R46-E229 IonicContact NE-OE2 3.72Å; R46-E229 PolarHBondContact NE-OE2 3.17Å; R46-E229 IonicContact NH2-OE2 2.73Å; R46-E229 PolarHBondContact NH2-OE2 2.92Å; L225-E229 WeakPolarHBondContact O-CA 3.31Å; L225-E229 PolarHBondContact O-N 3.48Å; L225-E229 VanDerWaalsContact O-N 3.11Å
230	Q	94.9	Very high	94	Very high	98 Å²	98	42.8 Å²	42.8	46%	0.458	23%	0.229	S	C	.	.			trans	-120.9	145.9	-176.3	-81.5	167.3	68.6	0	0	110.8	L177 L225 L228	L177-Q230 HydrophobicContact CD1-CB 3.71Å; L225-Q230 WeakPolarHBondContact CD2-O 2.92Å; L228-Q230 HydrophobicContact CB-CB 4.41Å; L228-Q230 WeakPolarHBondContact O-CG 3.37Å; L228-Q230 PolarHBondContact O-N 3.49Å; L228-Q230 VanDerWaalsContact O-N 3.14Å; L228-Q230 PolarHBondContact O-NE2 2.92Å
231	S	94.1	Very high	93.5	Very high	81 Å²	81	51.6 Å²	51.6	57%	0.566	27%	0.27	S	S	*	.			trans	-76.1	135.9	174	-62	0	0	0	0	110.8
232	P	95.8	Very high	93.2	Very high	18 Å²	18	54.1 Å²	54.1	12%	0.117	28%	0.283	C	S	.	.			trans	-73	158.6	178.1	28.2	-28.8	0	0	0	111.3	L177 L225 F234 I236	L177-P232 HydrophobicContact CD2-CB 4.08Å; L177-P232 WeakPolarHBondContact O-CA 3.45Å; L225-P232 HydrophobicContact CD2-CG 4.31Å; P232-F234 HydrophobicContact CB-CD1 4.06Å; P232-F234 HydrophobicContact CB-CD2 4.27Å; P232-F234 HydrophobicContact CB-CE1 3.75Å; P232-F234 HydrophobicContact CB-CE2 3.99Å; P232-F234 HydrophobicContact CB-CG 4.3Å; P232-F234 HydrophobicContact CB-CZ 3.7Å; P232-F234 HydrophobicContact CG-CE2 4.44Å; P232-F234 PolarHBondContact O-N 2.87Å; P232-F234 VanDerWaalsContact O-N 3.16Å; P232-I236 HydrophobicContact CB-CG2 4.46Å; P232-I236 HydrophobicContact CG-CD1 4.05Å; P232-I236 HydrophobicContact CG-CG1 4.45Å; P232-I236 HydrophobicContact CG-CG2 3.61Å
233	A	94.6	Very high	92.9	Very high	78 Å²	78	55.3 Å²	55.3	65%	0.645	29%	0.289	S	S	*	.	S	Bend	trans	-75.1	7.2	175.3	0	0	0	0	0	113.9	L177	L177-A233 PolarHBondContact O-N 2.98Å
234	F	94.8	Very high	92.6	Very high	27 Å²	27	56.5 Å²	56.5	12%	0.118	30%	0.295	C	S	.	.	S	Bend	trans	-141.9	166.9	-174.3	53.8	-94.1	0	0	0	111.2	F176 P179 Y182 H197 F199 V221 P232 I236	F176-F234 WeakPolarHBondContact O-CE1 3.25Å; F176-F234 WeakPolarHBondContact O-CZ 3.32Å; P179-F234 HydrophobicContact CG-CD1 4.16Å; P179-F234 HydrophobicContact CG-CE1 4.12Å; Y182-F234 HydrophobicContact CD1-CB 3.98Å; Y182-F234 HydrophobicContact CD1-CD1 4.29Å; Y182-F234 HydrophobicContact CD1-CG 4.2Å; Y182-F234 HydrophobicContact CD2-CD1 4.43Å; Y182-F234 HydrophobicContact CE1-CB 3.3Å; Y182-F234 HydrophobicContact CE1-CD1 4.19Å; Y182-F234 HydrophobicContact CE1-CD2 4.16Å; Y182-F234 AromaticContact CE1-CG 3.64Å; Y182-F234 HydrophobicContact CE1-CG 3.64Å; Y182-F234 HydrophobicContact CE2-CD1 4.29Å; Y182-F234 AromaticContact CE2-CD2 3.98Å; Y182-F234 HydrophobicContact CE2-CD2 3.98Å; Y182-F234 HydrophobicContact CE2-CE2 4.23Å; Y182-F234 HydrophobicContact CE2-CG 4.02Å; Y182-F234 HydrophobicContact CG-CD1 4.42Å; Y182-F234 AromaticContact CZ-CD2 3.57Å; Y182-F234 AromaticContact CZ-CG 3.52Å; Y182-F234 WeakPolarHBondContact OH-CD2 3.48Å; H197-F234 AromaticContact CE1-CE2 3.85Å; H197-F234 AromaticContact ND1-CD2 3.94Å; H197-F234 AromaticContact ND1-CE2 3.79Å; F199-F234 AromaticContact CE1-CE1 3.83Å; F199-F234 HydrophobicContact CE1-CE1 3.83Å; F199-F234 AromaticContact CE1-CZ 3.9Å; F199-F234 HydrophobicContact CE1-CZ 3.9Å; F199-F234 HydrophobicContact CZ-CE1 4.02Å; F199-F234 HydrophobicContact CZ-CE2 4.23Å; F199-F234 AromaticContact CZ-CZ 3.59Å; F199-F234 HydrophobicContact CZ-CZ 3.59Å; V221-F234 HydrophobicContact CG2-CE2 4.37Å; V221-F234 HydrophobicContact CG2-CZ 4.04Å; P232-F234 HydrophobicContact CB-CD1 4.06Å; P232-F234 HydrophobicContact CB-CD2 4.27Å; P232-F234 HydrophobicContact CB-CE1 3.75Å; P232-F234 HydrophobicContact CB-CE2 3.99Å; P232-F234 HydrophobicContact CB-CG 4.3Å; P232-F234 HydrophobicContact CB-CZ 3.7Å; P232-F234 HydrophobicContact CG-CE2 4.44Å; P232-F234 PolarHBondContact O-N 2.87Å; P232-F234 VanDerWaalsContact O-N 3.16Å; F234-I236 HydrophobicContact CD2-CG2 3.9Å; F234-I236 HydrophobicContact CE2-CG2 3.58Å
235	K	92.2	Very high	92.4	Very high	156 Å²	156	58.9 Å²	58.9	68%	0.678	31%	0.311	S	S	*	.			trans	-73.7	140.1	177.2	-68.3	-175.3	178.6	-177	0	110.8	I195 H197	I195-K235 HydrophobicContact CD1-CB 4.05Å; H197-K235 PolarHBondContact CE1-O 3.24Å
236	I	91	Very high	92.2	Very high	33 Å²	33	59.2 Å²	59.2	17%	0.169	31%	0.314	C	S	.	.			trans	-124.1	155.3	177.6	58	177.8	0	0	0	111	V221 L225 P232 F234 F238 L240	V221-I236 HydrophobicContact CG1-CG2 4.25Å; L225-I236 HydrophobicContact CD1-CD1 3.85Å; L225-I236 HydrophobicContact CD2-CD1 4.44Å; P232-I236 HydrophobicContact CB-CG2 4.46Å; P232-I236 HydrophobicContact CG-CD1 4.05Å; P232-I236 HydrophobicContact CG-CG1 4.45Å; P232-I236 HydrophobicContact CG-CG2 3.61Å; F234-I236 HydrophobicContact CD2-CG2 3.9Å; F234-I236 HydrophobicContact CE2-CG2 3.58Å; I236-F238 VanDerWaalsContact C-N 3.25Å; I236-F238 HydrophobicContact CB-CD2 4.19Å; I236-F238 HydrophobicContact CD1-CB 3.93Å; I236-F238 HydrophobicContact CD1-CD2 4.33Å; I236-F238 HydrophobicContact CG1-CB 4.35Å; I236-L240 HydrophobicContact CD1-CD1 4.23Å; I236-L240 HydrophobicContact CD1-CD2 3.42Å; I236-L240 VanDerWaalsContact CD1-CD2 3.42Å; I236-L240 HydrophobicContact CD1-CG 3.73Å
237	D	85.6	Confident	92	Very high	58 Å²	58	59.3 Å²	59.3	31%	0.31	32%	0.315	S	S	.	.	S	Bend	trans	-78	-11.8	172.3	-68.2	-20.9	0	0	0	112.5	I195 K218	I195-D237 VanDerWaalsContact CB-OD1 3.31Å; I195-D237 WeakPolarHBondContact CB-OD1 3.41Å; I195-D237 WeakPolarHBondContact CD1-OD1 3.22Å; I195-D237 WeakPolarHBondContact CG1-OD1 3.38Å; I195-D237 PolarHBondContact N-OD1 3.05Å; I195-D237 VanDerWaalsContact N-OD1 3.1Å; I195-D237 PolarHBondContact N-OD2 3.33Å; K218-D237 IonicContact NZ-OD2 3.41Å; K218-D237 PolarHBondContact NZ-OD2 3.29Å
238	F	83.9	Confident	91.8	Very high	27 Å²	27	61 Å²	61	12%	0.118	32%	0.323	C	S	.	.	S	Bend	trans	-80.6	146	-177.8	-57.5	-69.2	0	0	0	112.1	V221 L222 L225 I236 L240 L243 C247	V221-F238 HydrophobicContact CB-CE2 4.46Å; V221-F238 HydrophobicContact CG1-CD2 4.35Å; V221-F238 HydrophobicContact CG1-CE2 4Å; L222-F238 HydrophobicContact CB-CE1 4.45Å; L222-F238 HydrophobicContact CB-CE2 4.39Å; L222-F238 HydrophobicContact CB-CZ 3.93Å; L222-F238 HydrophobicContact CD1-CD1 4.47Å; L222-F238 HydrophobicContact CD1-CE1 4.16Å; L222-F238 HydrophobicContact CD1-CZ 4.4Å; L225-F238 HydrophobicContact CD1-CB 4.47Å; L225-F238 HydrophobicContact CD1-CD2 3.73Å; L225-F238 HydrophobicContact CD1-CE2 4.34Å; L225-F238 HydrophobicContact CD1-CG 4.33Å; I236-F238 VanDerWaalsContact C-N 3.25Å; I236-F238 HydrophobicContact CB-CD2 4.19Å; I236-F238 HydrophobicContact CD1-CB 3.93Å; I236-F238 HydrophobicContact CD1-CD2 4.33Å; I236-F238 HydrophobicContact CG1-CB 4.35Å; F238-L240 PolarHBondContact O-N 2.95Å; F238-L243 HydrophobicContact CB-CD1 3.56Å; F238-L243 HydrophobicContact CD1-CD1 3.99Å; F238-L243 HydrophobicContact CG-CD1 3.82Å; F238-C247 VanDerWaalsContact CD1-SG 3.56Å; F238-C247 VanDerWaalsContact CE1-SG 3.55Å
239	D	88	Confident	91.7	Very high	66 Å²	66	65.1 Å²	65.1	35%	0.353	34%	0.336	S	S	.	.			trans	-85.1	108.7	167.2	-172	-22.4	0	0	0	108.9	H241 D242 L243	D239-H241 PolarHBondContact O-N 3.38Å; D239-H241 PolarHBondContact OD1-N 3.03Å; D239-D242 HydrophobicContact CB-CB 4.4Å; D239-D242 CarbonylContact O-C 3.54Å; D239-D242 VanDerWaalsContact O-C 3.23Å; D239-D242 PolarHBondContact O-N 3.28Å; D239-D242 VanDerWaalsContact O-N 3.15Å; D239-D242 PolarHBondContact OD1-N 3.07Å; D239-L243 WeakPolarHBondContact O-CA 3.33Å; D239-L243 PolarHBondContact O-N 2.99Å
240	L	86.2	Confident	91.5	Very high	77 Å²	77	61.8 Å²	61.8	40%	0.403	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-24.4	-178.3	-69.8	178.3	0	0	0	113.5	L225 I236 F238	L225-L240 HydrophobicContact CD1-CD2 4.17Å; L225-L240 HydrophobicContact CD2-CD2 3.71Å; L225-L240 HydrophobicContact CG-CD2 4.49Å; I236-L240 HydrophobicContact CD1-CD1 4.23Å; I236-L240 HydrophobicContact CD1-CD2 3.42Å; I236-L240 VanDerWaalsContact CD1-CD2 3.42Å; I236-L240 HydrophobicContact CD1-CG 3.73Å; F238-L240 PolarHBondContact O-N 2.95Å
241	H	87.3	Confident	91.5	Very high	185 Å²	185	57.4 Å²	57.4	86%	0.856	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.8	-16.1	178.7	-62.6	-66.7	0	0	0	112.5	D239	D239-H241 PolarHBondContact O-N 3.38Å; D239-H241 PolarHBondContact OD1-N 3.03Å
242	D	91.3	Very high	91.4	Very high	53 Å²	53	57.5 Å²	57.5	28%	0.283	30%	0.297	S	S	.	.	S	Bend	trans	-145	49.5	-174.4	-167	34.3	0	0	0	111.2	D239 I244 P245 S246 R249	D239-D242 HydrophobicContact CB-CB 4.4Å; D239-D242 CarbonylContact O-C 3.54Å; D239-D242 VanDerWaalsContact O-C 3.23Å; D239-D242 PolarHBondContact O-N 3.28Å; D239-D242 VanDerWaalsContact O-N 3.15Å; D239-D242 PolarHBondContact OD1-N 3.07Å; D242-I244 PolarHBondContact O-N 2.76Å; D242-P245 WeakPolarHBondContact O-CD 3.12Å; D242-P245 WeakPolarHBondContact OD1-CB 3.46Å; D242-P245 VanDerWaalsContact OD1-CD 3.26Å; D242-P245 WeakPolarHBondContact OD1-CD 3.46Å; D242-P245 WeakPolarHBondContact OD1-CG 3.45Å; D242-P245 WeakPolarHBondContact OD2-CB 3.4Å; D242-S246 WeakPolarHBondContact O-CB 3.42Å; D242-S246 PolarHBondContact O-N 3.11Å; D242-R249 IonicContact OD2-CZ 2.78Å; D242-R249 VanDerWaalsContact OD2-CZ 3.23Å; D242-R249 IonicContact OD2-NH1 2.76Å; D242-R249 PolarHBondContact OD2-NH1 2.73Å; D242-R249 IonicContact OD2-NH2 3.98Å; D242-R249 PolarHBondContact OD2-NH2 3.48Å
243	L	91.5	Very high	91.2	Very high	26 Å²	26	59.1 Å²	59.1	14%	0.136	30%	0.301	C	S	.	.	H	α-helix	trans	-55.7	-55.5	-164.3	-177.2	59	0	0	0	113.3	L222 L225 I226 F238 D239 C247	L222-L243 HydrophobicContact CD1-CD1 3.77Å; L222-L243 HydrophobicContact CD1-CD2 3.97Å; L222-L243 HydrophobicContact CD1-CG 3.83Å; L225-L243 HydrophobicContact CB-CD2 3.92Å; L225-L243 HydrophobicContact CD1-CD1 4.2Å; I226-L243 HydrophobicContact CG1-CD2 3.77Å; F238-L243 HydrophobicContact CB-CD1 3.56Å; F238-L243 HydrophobicContact CD1-CD1 3.99Å; F238-L243 HydrophobicContact CG-CD1 3.82Å; D239-L243 WeakPolarHBondContact O-CA 3.33Å; D239-L243 PolarHBondContact O-N 2.99Å; L243-C247 PolarHBondContact O-N 2.78Å; L243-C247 VanDerWaalsContact O-N 3.1Å; L243-C247 PolarHBondContact O-SG 3.14Å
244	I	92.6	Very high	91	Very high	25 Å²	25	57.9 Å²	57.9	13%	0.128	28%	0.28	C	S	.	.	H	α-helix	trans	-71.3	-48.8	-176.3	-55.1	-56.6	0	0	0	111.6	V52 V135 I226 D242 S246 C247 E248	V52-I244 HydrophobicContact CG1-CG2 4.49Å; V135-I244 HydrophobicContact CG2-CG2 4.18Å; I226-I244 HydrophobicContact CD1-CD1 3.99Å; I226-I244 HydrophobicContact CG1-CD1 4.38Å; D242-I244 PolarHBondContact O-N 2.76Å; I244-S246 PolarHBondContact O-N 2.56Å; I244-C247 WeakPolarHBondContact O-CA 3.37Å; I244-C247 WeakPolarHBondContact O-CB 3.38Å; I244-C247 PolarHBondContact O-N 2.92Å; I244-E248 PolarHBondContact O-N 3.01Å
245	P	93.6	Very high	90.8	Very high	51 Å²	51	58.5 Å²	58.5	33%	0.331	28%	0.282	S	S	.	.	H	α-helix	trans	-64.1	-29.4	177.9	-24.8	38.4	0	0	0	113.2	D242 E248 R249	D242-P245 WeakPolarHBondContact O-CD 3.12Å; D242-P245 WeakPolarHBondContact OD1-CB 3.46Å; D242-P245 VanDerWaalsContact OD1-CD 3.26Å; D242-P245 WeakPolarHBondContact OD1-CD 3.46Å; D242-P245 WeakPolarHBondContact OD1-CG 3.45Å; D242-P245 WeakPolarHBondContact OD2-CB 3.4Å; P245-E248 PolarHBondContact O-N 3Å; P245-R249 WeakPolarHBondContact O-CG 3.31Å; P245-R249 PolarHBondContact O-N 2.84Å
246	S	92.2	Very high	90.8	Very high	15 Å²	15	54 Å²	54	11%	0.105	27%	0.27	C	S	.	.	H	α-helix	trans	-65.1	-40.7	170.4	-174	0	0	0	0	112.7	D242 I244 R249 T250	D242-S246 WeakPolarHBondContact O-CB 3.42Å; D242-S246 PolarHBondContact O-N 3.11Å; I244-S246 PolarHBondContact O-N 2.56Å; S246-R249 PolarHBondContact O-N 3.39Å; S246-T250 WeakPolarHBondContact O-CB 3.45Å; S246-T250 PolarHBondContact O-N 3.22Å; S246-T250 PolarHBondContact O-OG1 2.82Å
247	C	93.5	Very high	90.6	Very high	11 Å²	11	55 Å²	55	7%	0.074	28%	0.275	C	S	.	.	H	α-helix	trans	-61.1	-46.7	171.4	-65.5	0	0	0	0	111.2	V135 F238 L243 I244 R249 T250 F251	V135-C247 HydrophobicContact CB-CB 4.06Å; V135-C247 HydrophobicContact CG1-CB 4.36Å; V135-C247 HydrophobicContact CG2-CB 3.82Å; F238-C247 VanDerWaalsContact CD1-SG 3.56Å; F238-C247 VanDerWaalsContact CE1-SG 3.55Å; L243-C247 PolarHBondContact O-N 2.78Å; L243-C247 VanDerWaalsContact O-N 3.1Å; L243-C247 PolarHBondContact O-SG 3.14Å; I244-C247 WeakPolarHBondContact O-CA 3.37Å; I244-C247 WeakPolarHBondContact O-CB 3.38Å; I244-C247 PolarHBondContact O-N 2.92Å; C247-R249 PolarHBondContact O-N 3.37Å; C247-T250 PolarHBondContact O-N 3.46Å; C247-F251 WeakPolarHBondContact O-CB 3.19Å; C247-F251 PolarHBondContact O-N 3.33Å
248	E	94.8	Very high	90.6	Very high	36 Å²	36	53.4 Å²	53.4	17%	0.168	27%	0.268	C	S	.	.	H	α-helix	trans	-60.1	-45.6	178.4	-67.8	-172.3	-159	0	0	112	R55 Y56 V135 I244 P245 T250 F251 L252	R55-E248 IonicContact CZ-OE1 3.7Å; R55-E248 IonicContact NH1-OE1 3.95Å; R55-E248 PolarHBondContact NH1-OE1 3.34Å; R55-E248 IonicContact NH1-OE2 3.18Å; R55-E248 PolarHBondContact NH1-OE2 3.1Å; Y56-E248 VanDerWaalsContact OH-CG 3.25Å; Y56-E248 WeakPolarHBondContact OH-CG 3.44Å; Y56-E248 PolarHBondContact OH-OE2 2.84Å; V135-E248 HydrophobicContact CG1-CG 4.38Å; V135-E248 HydrophobicContact CG2-CG 3.67Å; I244-E248 PolarHBondContact O-N 3.01Å; P245-E248 PolarHBondContact O-N 3Å; E248-T250 VanDerWaalsContact C-N 3.32Å; E248-T250 PolarHBondContact O-N 2.88Å; E248-F251 PolarHBondContact O-N 3.05Å; E248-L252 WeakPolarHBondContact O-CB 3.45Å; E248-L252 VanDerWaalsContact O-CG 3.31Å; E248-L252 WeakPolarHBondContact O-CG 3.29Å; E248-L252 PolarHBondContact O-N 2.89Å
249	R	93.2	Very high	90.6	Very high	124 Å²	124	57.3 Å²	57.3	47%	0.468	29%	0.285	S	S	.	.	H	α-helix	trans	-59.4	-44.1	176.2	-75.1	-174.1	-62.5	-92.5	7.9	111.7	D242 P245 S246 C247 W253	D242-R249 IonicContact OD2-CZ 2.78Å; D242-R249 VanDerWaalsContact OD2-CZ 3.23Å; D242-R249 IonicContact OD2-NH1 2.76Å; D242-R249 PolarHBondContact OD2-NH1 2.73Å; D242-R249 IonicContact OD2-NH2 3.98Å; D242-R249 PolarHBondContact OD2-NH2 3.48Å; P245-R249 WeakPolarHBondContact O-CG 3.31Å; P245-R249 PolarHBondContact O-N 2.84Å; S246-R249 PolarHBondContact O-N 3.39Å; C247-R249 PolarHBondContact O-N 3.37Å; R249-W253 VanDerWaalsContact O-CB 3.29Å; R249-W253 WeakPolarHBondContact O-CB 3.49Å; R249-W253 PolarHBondContact O-N 3.18Å
250	T	90.9	Very high	90.1	Very high	52 Å²	52	63.5 Å²	63.5	32%	0.319	32%	0.317	S	S	.	.	H	α-helix	trans	-64.7	-43.8	178.4	-60.8	0	0	0	0	111.3	F194 S246 C247 E248 R254	F194-T250 HydrophobicContact CE1-CG2 4.46Å; S246-T250 WeakPolarHBondContact O-CB 3.45Å; S246-T250 PolarHBondContact O-N 3.22Å; S246-T250 PolarHBondContact O-OG1 2.82Å; C247-T250 PolarHBondContact O-N 3.46Å; E248-T250 VanDerWaalsContact C-N 3.32Å; E248-T250 PolarHBondContact O-N 2.88Å; T250-R254 WeakPolarHBondContact O-CG 3.38Å; T250-R254 PolarHBondContact O-N 2.94Å
251	F	93.5	Very high	90.3	Very high	7 Å²	7	62.8 Å²	62.8	3%	0.031	31%	0.313	C	S	.	.	H	α-helix	trans	-60.2	-54.2	176.1	164.4	-110.2	0	0	0	111.8	Y56 L59 V135 P136 V138 L144 C247 E248 W253 R254 Y255	Y56-F251 HydrophobicContact CD1-CD1 4.26Å; Y56-F251 AromaticContact CD1-CE1 3.51Å; Y56-F251 HydrophobicContact CD1-CE1 3.51Å; Y56-F251 HydrophobicContact CD1-CZ 4.39Å; Y56-F251 HydrophobicContact CD2-CE1 4.33Å; Y56-F251 HydrophobicContact CE1-CD1 4.21Å; Y56-F251 AromaticContact CE1-CE1 3.89Å; Y56-F251 HydrophobicContact CE1-CE1 3.89Å; Y56-F251 HydrophobicContact CG-CD1 4.47Å; Y56-F251 AromaticContact CG-CE1 3.73Å; Y56-F251 HydrophobicContact CG-CE1 3.73Å; Y56-F251 HydrophobicContact CG-CZ 4.35Å; L59-F251 HydrophobicContact CD1-CE1 3.82Å; L59-F251 HydrophobicContact CD1-CZ 3.74Å; V135-F251 HydrophobicContact CG1-CB 3.51Å; V135-F251 HydrophobicContact CG1-CD1 4.11Å; V135-F251 HydrophobicContact CG1-CG 3.85Å; P136-F251 HydrophobicContact CB-CD2 4.28Å; P136-F251 HydrophobicContact CB-CE2 3.88Å; P136-F251 HydrophobicContact CB-CZ 4.25Å; P136-F251 HydrophobicContact CG-CZ 4.45Å; P136-F251 WeakPolarHBondContact O-CD2 2.86Å; P136-F251 WeakPolarHBondContact O-CG 3.38Å; V138-F251 HydrophobicContact CG2-CD2 3.87Å; V138-F251 HydrophobicContact CG2-CE2 3.71Å; L144-F251 HydrophobicContact CD2-CE2 3.72Å; L144-F251 HydrophobicContact CD2-CZ 4.28Å; C247-F251 WeakPolarHBondContact O-CB 3.19Å; C247-F251 PolarHBondContact O-N 3.33Å; E248-F251 PolarHBondContact O-N 3.05Å; F251-W253 VanDerWaalsContact C-N 3.28Å; F251-W253 PolarHBondContact O-N 2.94Å; F251-R254 PolarHBondContact O-N 3.36Å; F251-R254 VanDerWaalsContact O-N 3.14Å; F251-Y255 WeakPolarHBondContact O-CB 3.35Å; F251-Y255 PolarHBondContact O-N 3.24Å
252	L	93.5	Very high	90.4	Very high	82 Å²	82	56.4 Å²	56.4	43%	0.429	29%	0.285	S	S	.	.	H	α-helix	trans	-61.7	-37.6	-178.5	-69.9	173.1	0	0	0	111.7	Y56 E248 Y255 S256	Y56-L252 HydrophobicContact CE1-CD2 4.23Å; E248-L252 WeakPolarHBondContact O-CB 3.45Å; E248-L252 VanDerWaalsContact O-CG 3.31Å; E248-L252 WeakPolarHBondContact O-CG 3.29Å; E248-L252 PolarHBondContact O-N 2.89Å; L252-Y255 PolarHBondContact O-N 3.17Å; L252-S256 WeakPolarHBondContact O-CB 3Å; L252-S256 PolarHBondContact O-N 3.28Å
253	W	91.2	Very high	90.4	Very high	52 Å²	52	56.6 Å²	56.6	20%	0.197	29%	0.285	C	S	.	.	H	α-helix	trans	-62.7	-50.2	173.3	175.5	77.5	0	0	0	111.6	R192 F194 R249 F251 Y255 S256 L257	R192-W253 HydrophobicContact CB-CH2 3.93Å; R192-W253 HydrophobicContact CB-CZ2 4.38Å; R192-W253 VanDerWaalsContact CD-CZ2 3.41Å; R192-W253 HydrophobicContact CG-CH2 3.75Å; R192-W253 HydrophobicContact CG-CZ2 3.69Å; R192-W253 VanDerWaalsContact CZ-CE2 3.41Å; F194-W253 HydrophobicContact CE2-CH2 4.4Å; F194-W253 HydrophobicContact CE2-CZ3 4.24Å; F194-W253 HydrophobicContact CZ-CE3 4.45Å; F194-W253 HydrophobicContact CZ-CH2 4.03Å; F194-W253 AromaticContact CZ-CZ3 3.54Å; F194-W253 HydrophobicContact CZ-CZ3 3.54Å; R249-W253 VanDerWaalsContact O-CB 3.29Å; R249-W253 WeakPolarHBondContact O-CB 3.49Å; R249-W253 PolarHBondContact O-N 3.18Å; F251-W253 VanDerWaalsContact C-N 3.28Å; F251-W253 PolarHBondContact O-N 2.94Å; W253-Y255 VanDerWaalsContact C-N 3.29Å; W253-Y255 PolarHBondContact O-N 3.38Å; W253-S256 PolarHBondContact O-N 3.24Å; W253-S256 PolarHBondContact O-OG 2.89Å; W253-L257 HydrophobicContact CD2-CD1 4.06Å; W253-L257 HydrophobicContact CE3-CD1 4.19Å; W253-L257 HydrophobicContact CH2-CD1 3.47Å; W253-L257 VanDerWaalsContact CH2-CD1 3.47Å; W253-L257 HydrophobicContact CZ2-CD1 3.33Å; W253-L257 HydrophobicContact CZ2-CG 4.43Å; W253-L257 HydrophobicContact CZ3-CD1 3.88Å; W253-L257 PolarHBondContact O-N 2.7Å; W253-L257 VanDerWaalsContact O-N 3.16Å
254	R	90.4	Very high	90.3	Very high	52 Å²	52	58.4 Å²	58.4	20%	0.196	29%	0.293	C	S	.	.	H	α-helix	trans	-60	-40.3	176.7	-74.5	-174.4	172.1	-126.7	-9.5	112	V138 F194 T250 F251 L257 S258	V138-R254 HydrophobicContact CB-CB 4.07Å; V138-R254 HydrophobicContact CG2-CB 4.05Å; F194-R254 VanDerWaalsContact CD1-NH2 3.34Å; F194-R254 VanDerWaalsContact CE1-NH2 3.32Å; F194-R254 VanDerWaalsContact CE2-NH2 3.34Å; F194-R254 VanDerWaalsContact CZ-NH2 3.34Å; T250-R254 WeakPolarHBondContact O-CG 3.38Å; T250-R254 PolarHBondContact O-N 2.94Å; F251-R254 PolarHBondContact O-N 3.36Å; F251-R254 VanDerWaalsContact O-N 3.14Å; R254-L257 PolarHBondContact O-N 2.87Å; R254-S258 PolarHBondContact O-N 3.39Å; R254-S258 VanDerWaalsContact O-N 3.17Å
255	Y	91.4	Very high	90.2	Very high	41 Å²	41	60.4 Å²	60.4	16%	0.161	30%	0.304	C	S	.	.	H	α-helix	trans	-67	-39.2	179	179.7	-97	0	0	0	111.7	L59 V138 L144 F251 L252 W253 L257 S258 K259	L59-Y255 HydrophobicContact CB-CE1 4.47Å; L59-Y255 HydrophobicContact CB-CE2 3.82Å; L59-Y255 HydrophobicContact CD1-CE1 4.4Å; L59-Y255 HydrophobicContact CD2-CE1 4.18Å; L59-Y255 WeakPolarHBondContact O-CE2 3.37Å; L59-Y255 PolarHBondContact O-OH 3.16Å; V138-Y255 HydrophobicContact CG2-CD2 4.38Å; L144-Y255 HydrophobicContact CD1-CE2 4.42Å; L144-Y255 HydrophobicContact CD2-CD2 4.16Å; F251-Y255 WeakPolarHBondContact O-CB 3.35Å; F251-Y255 PolarHBondContact O-N 3.24Å; L252-Y255 PolarHBondContact O-N 3.17Å; W253-Y255 VanDerWaalsContact C-N 3.29Å; W253-Y255 PolarHBondContact O-N 3.38Å; Y255-L257 VanDerWaalsContact C-N 3.27Å; Y255-L257 PolarHBondContact O-N 2.8Å; Y255-S258 PolarHBondContact O-N 3.38Å; Y255-S258 PolarHBondContact O-OG 2.97Å; Y255-K259 HydrophobicContact CE1-CG 4.39Å; Y255-K259 WeakPolarHBondContact OH-CE 3.48Å
256	S	90.6	Very high	90	Very high	62 Å²	62	61.1 Å²	61.1	43%	0.434	30%	0.302	S	S	.	.	H	α-helix	trans	-62.3	-36.5	174.6	72.3	0	0	0	0	112.3	L252 W253 S258 K259	L252-S256 WeakPolarHBondContact O-CB 3Å; L252-S256 PolarHBondContact O-N 3.28Å; W253-S256 PolarHBondContact O-N 3.24Å; W253-S256 PolarHBondContact O-OG 2.89Å; S256-S258 VanDerWaalsContact C-N 3.35Å; S256-K259 PolarHBondContact O-N 3.14Å
257	L	87.7	Confident	89.8	Confident	53 Å²	53	64.4 Å²	64.4	28%	0.277	32%	0.316	S	S	.	.	H	α-helix	trans	-70.5	-29.1	177.5	-69.8	-179.9	0	0	0	113.2	W253 R254 Y255 K259 L260	W253-L257 HydrophobicContact CD2-CD1 4.06Å; W253-L257 HydrophobicContact CE3-CD1 4.19Å; W253-L257 HydrophobicContact CH2-CD1 3.47Å; W253-L257 VanDerWaalsContact CH2-CD1 3.47Å; W253-L257 HydrophobicContact CZ2-CD1 3.33Å; W253-L257 HydrophobicContact CZ2-CG 4.43Å; W253-L257 HydrophobicContact CZ3-CD1 3.88Å; W253-L257 PolarHBondContact O-N 2.7Å; W253-L257 VanDerWaalsContact O-N 3.16Å; R254-L257 PolarHBondContact O-N 2.87Å; Y255-L257 VanDerWaalsContact C-N 3.27Å; Y255-L257 PolarHBondContact O-N 2.8Å; L257-K259 PolarHBondContact O-N 3.35Å; L257-L260 HydrophobicContact CD2-CD1 3.93Å; L257-L260 PolarHBondContact O-N 2.65Å
258	S	85.3	Confident	89.5	Confident	24 Å²	24	68.5 Å²	68.5	17%	0.168	33%	0.334	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-4.8	178.2	66.8	0	0	0	0	114.5	N141 R254 Y255 S256	N141-S258 WeakPolarHBondContact O-CB 3.43Å; N141-S258 PolarHBondContact O-OG 3.4Å; R254-S258 PolarHBondContact O-N 3.39Å; R254-S258 VanDerWaalsContact O-N 3.17Å; Y255-S258 PolarHBondContact O-N 3.38Å; Y255-S258 PolarHBondContact O-OG 2.97Å; S256-S258 VanDerWaalsContact C-N 3.35Å
259	K	83	Confident	89.1	Confident	109 Å²	109	71.2 Å²	71.2	47%	0.474	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.6	-2.2	173.3	-60.4	-55.6	-177.3	-172.6	0	113.4	Y255 S256 L257	Y255-K259 HydrophobicContact CE1-CG 4.39Å; Y255-K259 WeakPolarHBondContact OH-CE 3.48Å; S256-K259 PolarHBondContact O-N 3.14Å; L257-K259 PolarHBondContact O-N 3.35Å
260	L	78.5	Confident	88.7	Confident	196 Å²	196	66.4 Å²	66.4	100%	1.026	34%	0.337	S	S	*	.			trans	-89.1	0	172.9	-62.6	175.2	0	0	0	110.3	L257	L257-L260 HydrophobicContact CD2-CD1 3.93Å; L257-L260 PolarHBondContact O-N 2.65Å

Retrieved 260 of 260 residues in 559.6 ms (Link to these results)

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