A0A077Z0Q6_TRITR Loading...

Maltase

AlphaFold DB , UniProt , Accession A0A077Z0Q6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 915 aa.

						>A0A077Z0Q6_TRITR|A0A077Z0Q6
MFLVIVLIVLGVSIGPESAQPEHPIIITDCAPDNDNIDAFSCQQRQCAWLSEAPDGAPKCQIPQDHKGYSVEAKLTATTGTLKYEGAPFYGPVVSPIAYDIHPVEANIFRFTISDAEHQRYRVPDFLVPVSVTSREDVTETNCCRIQLCTSPFGVRIWRKSTNKTMFDSCHTSDLYVSDQFLQTSTRLPSSYIYGFGEHTAHNFKRDINWRRWPMWARDEALYNHSYNLYGVQPFYLCVEDEFGNSHGVLLMNSNAMEVWLQPTPAITWRTLGGILDFFIFAGPTPQAVAEQLTSIIGRPALPPYWSLGFHLSRWGYDGTKQMEELVDRMEQNRVPLDVQWGDIDIMKHKYSFTYDSCSSYWTDLPDMVKRLKEKGIHFVPIVDPCIRNISAFENHRTSNGLCERIPYDPYVDGLDKDIFVKEKPDSSQPFLGIAWPGQCFYPDFTHPNATAYWYDQIMKYSKDIKFDGLWIAMNEPSHFNHADNYTSSEAAKCANDTWNYPKYIPKVADYETVGLFGKTMCMEAQFSGGSNYNFHSLYGHSMSKLTYEVMKQLNPKRRPFIVTRSNFVGTGSYAFHWLGDNEATWEQLKWSIVGIMEYNMFGIPMVGADICGFAGNTTEALCRRWTQLGAFYPLSRSHNSANAVPQEPVAFGEDFARMASEIIRERYRLLPYLYTLFYWSHINGTPVIRPLLMEFPADANTWNLDDQFLWGSCIMVSPVIEEGAISRDVYYPKARWFSYFNRTEHINLSGKRSLVTCDQNTILLDIRGGCIVPMQTPALSTARSRENPMQLLVALSESMAAAGSLFLDDGQTDLLSDSAYSLFTVNLTSSEQNECVRFSLRAAALHNSFNRSCFFDQIIVMGLPDRPANVLLSGAAVRNMYDPSSKVMVIDNLDVRCNKLADSQIEWRVCSGAR
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	40.5	Very low	34.4	Very low	218 Å²	218	143.2 Å²	143.2	100%	1.074	78%	0.782	S	S	*	*				0	149.9	0	-147.5	176.1	109.9	0	0	108.1
2	F	35.1	Very low	34.4	Very low	173 Å²	173	142.7 Å²	142.7	76%	0.759	79%	0.786	S	S	*	*			trans	83.8	133.2	-171.4	-67.6	-92.3	0	0	0	114.4
3	L	32.3	Very low	34.2	Very low	137 Å²	137	140 Å²	140	72%	0.717	78%	0.784	S	S	*	*			cis	-169.7	143.6	-15.3	-148.2	103.1	0	0	0	102
4	V	34.9	Very low	34.1	Very low	113 Å²	113	141.6 Å²	141.6	69%	0.685	79%	0.787	S	S	*	*				174.1	127.9	91.8	166.4	0	0	0	0	104.8	V6	V4-V6 HydrophobicContact CG1-CG2 3.99Å
5	I	33.1	Very low	34	Very low	159 Å²	159	135.6 Å²	135.6	82%	0.815	77%	0.771	S	S	*	*			trans	-81.3	125.8	168.9	-70.4	164.6	0	0	0	107.6
6	V	35.2	Very low	33.9	Very low	113 Å²	113	135.3 Å²	135.3	69%	0.685	78%	0.775	S	S	*	*			trans	-118.3	114.1	165	178.6	0	0	0	0	108	V4 I8	V4-V6 HydrophobicContact CG1-CG2 3.99Å; V6-I8 HydrophobicContact CG1-CG1 4.22Å; V6-I8 PolarHBondContact O-N 3.45Å
7	L	32.9	Very low	33.9	Very low	161 Å²	161	138.5 Å²	138.5	84%	0.843	78%	0.782	S	S	*	*			trans	-65.5	117	167.1	-85.3	143.2	0	0	0	109.2
8	I	33.6	Very low	34	Very low	142 Å²	142	136.4 Å²	136.4	73%	0.728	78%	0.778	S	S	*	*			trans	-112.7	113.9	165.6	-63.6	178.7	0	0	0	107.6	V6 L10	V6-I8 HydrophobicContact CG1-CG1 4.22Å; V6-I8 PolarHBondContact O-N 3.45Å; I8-L10 PolarHBondContact O-N 3.24Å
9	V	33.3	Very low	33.9	Very low	135 Å²	135	134.6 Å²	134.6	82%	0.818	78%	0.781	S	S	*	*			trans	-61.8	112.3	169.4	174.3	0	0	0	0	108	G11	V9-G11 PolarHBondContact O-N 3.04Å
10	L	35.8	Very low	34.2	Very low	163 Å²	163	132.2 Å²	132.2	85%	0.853	76%	0.762	S	S	*	*			trans	-71.1	92.9	170.8	-81.9	157	0	0	0	108.7	I8 V12	I8-L10 PolarHBondContact O-N 3.24Å; L10-V12 PolarHBondContact O-N 2.97Å
11	G	31.5	Very low	34.5	Very low	61 Å²	61	130.5 Å²	130.5	63%	0.629	76%	0.756	S	S	*	*			trans	-62.5	120.5	158.2	0	0	0	0	0	108.6	V9 S13	V9-G11 PolarHBondContact O-N 3.04Å; G11-S13 PolarHBondContact O-N 3.35Å
12	V	35.2	Very low	35	Very low	137 Å²	137	129.5 Å²	129.5	83%	0.83	75%	0.749	S	S	*	*			trans	-59.1	102.7	171.1	176.5	0	0	0	0	107.8	L10 I14	L10-V12 PolarHBondContact O-N 2.97Å; V12-I14 PolarHBondContact O-N 3.2Å
13	S	31.4	Very low	36.3	Very low	108 Å²	108	124.2 Å²	124.2	76%	0.755	73%	0.726	S	S	*	*			trans	-72.8	104.4	171.6	49.5	0	0	0	0	108.5	G11 G15	G11-S13 PolarHBondContact O-N 3.35Å; S13-G15 PolarHBondContact O-N 3.07Å
14	I	33.2	Very low	38	Very low	162 Å²	162	121.1 Å²	121.1	83%	0.831	71%	0.714	S	S	*	*			trans	-62.9	103.5	162.9	-57.1	171.1	0	0	0	105.9	V12	V12-I14 PolarHBondContact O-N 3.2Å
15	G	32	Very low	40.2	Very low	52 Å²	52	120.5 Å²	120.5	54%	0.536	71%	0.706	S	S	.	*			trans	-63.6	145	173.6	0	0	0	0	0	110.2	S13 E17	S13-G15 PolarHBondContact O-N 3.07Å; G15-E17 PolarHBondContact O-N 2.98Å
16	P	32.7	Very low	42.8	Very low	130 Å²	130	113.2 Å²	113.2	84%	0.844	67%	0.669	S	S	*	*			trans	-66.2	132	-177.3	26.8	-30.8	0	0	0	109.9	S18	P16-S18 PolarHBondContact O-N 3.43Å
17	E	34.7	Very low	45.4	Very low	191 Å²	191	109.2 Å²	109.2	89%	0.893	64%	0.643	S	S	*	*			trans	-48.8	109.5	169.9	-76.8	175.3	148.3	0	0	109	G15 A19	G15-E17 PolarHBondContact O-N 2.98Å; E17-A19 PolarHBondContact O-N 2.76Å
18	S	34.4	Very low	48.2	Very low	101 Å²	101	101.8 Å²	101.8	71%	0.706	60%	0.604	S	S	*	*			trans	-56	122	163.2	55.6	0	0	0	0	107	P16 Q20	P16-S18 PolarHBondContact O-N 3.43Å; S18-Q20 PolarHBondContact O-N 3.04Å
19	A	32.8	Very low	51	Low	101 Å²	101	95.5 Å²	95.5	84%	0.835	57%	0.572	S	S	*	*			trans	-44.3	109	174.8	0	0	0	0	0	109.3	E17	E17-A19 PolarHBondContact O-N 2.76Å
20	Q	40.4	Very low	53.8	Low	86 Å²	86	89 Å²	89	40%	0.402	53%	0.533	S	S	.	.			trans	-62.7	138.1	177.5	-68.1	-162.3	1.8	0	0	107.5	S18 E22	S18-Q20 PolarHBondContact O-N 3.04Å; Q20-E22 PolarHBondContact O-N 2.98Å
21	P	40.3	Very low	56.5	Low	98 Å²	98	81.4 Å²	81.4	64%	0.636	49%	0.493	S	S	*	.			trans	-52.9	135	169.7	21.8	-30.2	0	0	0	108.4	H23	P21-H23 VanDerWaalsContact C-N 3.33Å; P21-H23 PolarHBondContact O-CD2 2.66Å; P21-H23 VanDerWaalsContact O-CD2 3.31Å; P21-H23 PolarHBondContact O-N 3.42Å
22	E	50	Low	59.4	Low	197 Å²	197	78.5 Å²	78.5	92%	0.921	46%	0.463	S	S	*	.			trans	-53.6	98.2	175.9	-74.8	-178.8	166.5	0	0	108.5	Q20	Q20-E22 PolarHBondContact O-N 2.98Å
23	H	62.8	Low	62	Low	62 Å²	62	73.8 Å²	73.8	29%	0.287	43%	0.434	S	S	.	.	P	Polyproline II helix	trans	-70	135.2	174.4	-71.4	-76	0	0	0	107.4	P21 I25	P21-H23 VanDerWaalsContact C-N 3.33Å; P21-H23 PolarHBondContact O-CD2 2.66Å; P21-H23 VanDerWaalsContact O-CD2 3.31Å; P21-H23 PolarHBondContact O-N 3.42Å; H23-I25 PolarHBondContact O-N 2.03Å
24	P	68.4	Low	64.8	Low	72 Å²	72	71.3 Å²	71.3	47%	0.468	41%	0.412	S	S	.	.	P	Polyproline II helix	trans	-54.6	133.9	174.2	19.7	-28.6	0	0	0	109.5	I26 R187 T264	P24-I26 PolarHBondContact O-N 2.86Å; P24-R187 PolarHBondContact O-NE 3.34Å; P24-R187 VanDerWaalsContact O-NE 3.15Å; P24-T264 HydrophobicContact CB-CG2 4.15Å
25	I	79.9	Confident	67.3	Low	100 Å²	100	67.3 Å²	67.3	51%	0.513	39%	0.392	S	S	.	.	P	Polyproline II helix	trans	-67.2	126.3	-178.2	-63.1	173.3	0	0	0	107.7	H23	H23-I25 PolarHBondContact O-N 2.03Å
26	I	88.7	Confident	70	Confident	6 Å²	6	71.9 Å²	71.9	3%	0.031	40%	0.404	C	S	.	.	P	Polyproline II helix	trans	-72.3	128.9	168.9	-59	-172.7	0	0	0	106.7	P24 T28 T172 R187 A266	P24-I26 PolarHBondContact O-N 2.86Å; I26-T28 HydrophobicContact CG2-CG2 4.49Å; I26-T172 HydrophobicContact CD1-CG2 3.45Å; I26-T172 VanDerWaalsContact CD1-CG2 3.45Å; I26-T172 HydrophobicContact CG1-CG2 4.43Å; I26-R187 HydrophobicContact CD1-CG 3.65Å; I26-R187 HydrophobicContact CG1-CG 3.89Å; I26-A266 HydrophobicContact CD1-CB 4.03Å; I26-A266 HydrophobicContact CG1-CB 4.03Å; I26-A266 HydrophobicContact CG2-CB 4.26Å
27	I	90.4	Very high	72.9	Confident	28 Å²	28	66.6 Å²	66.6	14%	0.144	37%	0.369	C	S	.	.	P	Polyproline II helix	trans	-84.5	120.3	174.6	-69.6	169.3	0	0	0	107.3	P58 Q61 W210 Q262	I27-P58 VanDerWaalsContact CG2-CD 3.42Å; I27-P58 HydrophobicContact CG2-CG 3.57Å; I27-Q61 HydrophobicContact CG2-CG 4.43Å; I27-Q61 VanDerWaalsContact CG2-NE2 3.3Å; I27-W210 HydrophobicContact CB-CH2 3.66Å; I27-W210 HydrophobicContact CB-CZ3 4.1Å; I27-W210 HydrophobicContact CD1-CH2 3.48Å; I27-W210 VanDerWaalsContact CD1-CH2 3.48Å; I27-W210 HydrophobicContact CD1-CZ2 3.85Å; I27-W210 HydrophobicContact CG1-CH2 4.08Å; I27-W210 HydrophobicContact CG2-CH2 3.9Å; I27-W210 HydrophobicContact CG2-CZ3 4.14Å; I27-Q262 PolarHBondContact O-NE2 3.05Å; I27-Q262 PolarHBondContact O-OE1 2.93Å
28	T	91.1	Very high	75.8	Confident	5 Å²	5	61.5 Å²	61.5	3%	0.031	35%	0.348	C	S	.	.	P	Polyproline II helix	trans	-102	145	-175.9	56.4	0	0	0	0	109.3	I26 Q61 I62 T172 D174	I26-T28 HydrophobicContact CG2-CG2 4.49Å; T28-Q61 VanDerWaalsContact O-CA 3.23Å; T28-Q61 WeakPolarHBondContact O-CA 3.05Å; T28-Q61 WeakPolarHBondContact O-CB 3.39Å; T28-Q61 WeakPolarHBondContact O-CG 3.46Å; T28-I62 VanDerWaalsContact OG1-CB 3.28Å; T28-I62 WeakPolarHBondContact OG1-CB 3.48Å; T28-I62 PolarHBondContact OG1-N 3.24Å; T28-I62 PolarHBondContact OG1-O 2.8Å; T28-T172 WeakPolarHBondContact CG2-O 3.17Å; T28-D174 HydrophobicContact CG2-CB 3.65Å
29	D	91.2	Very high	78.7	Confident	10 Å²	10	58.2 Å²	58.2	5%	0.053	33%	0.327	C	S	.	.			trans	-107.3	121.6	177.8	165.3	21.2	0	0	0	108.9	A31 P32 P58 W260 R270	D29-A31 VanDerWaalsContact OD1-C 3.27Å; D29-A31 PolarHBondContact OD1-N 2.78Å; D29-P32 VanDerWaalsContact OD2-CA 3.29Å; D29-P32 WeakPolarHBondContact OD2-CA 3.06Å; D29-P32 WeakPolarHBondContact OD2-CB 3.12Å; D29-P58 HydrophobicContact CB-CB 3.72Å; D29-P58 HydrophobicContact CB-CG 3.84Å; D29-W260 HydrophobicContact CB-CH2 3.76Å; D29-W260 HydrophobicContact CB-CZ3 3.5Å; D29-W260 VanDerWaalsContact CB-CZ3 3.5Å; D29-R270 VanDerWaalsContact CB-NH2 3.26Å; D29-R270 IonicContact OD2-CZ 2.71Å; D29-R270 IonicContact OD2-NH1 3.68Å; D29-R270 IonicContact OD2-NH2 3.51Å; D29-R270 PolarHBondContact OD2-NH2 2.7Å
30	C	93.2	Very high	81.7	Confident	0 Å²	0	59.6 Å²	59.6	0%	0	31%	0.314	C	S	.	.	S	Bend	trans	-91.2	-11.8	-174.7	-148.8	0	0	0	0	112.7	C47 C60 I62	C30-C47 HydrophobicContact CB-CB 3.56Å; C30-C47 WeakPolarHBondContact CB-SG 3.03Å; C30-C47 WeakPolarHBondContact SG-CB 3.26Å; C30-C47 CovalentContact SG-SG 2.01Å; C30-C47 PolarHBondContact SG-SG 2.88Å; C30-C60 PolarHBondContact N-O 2.83Å; C30-I62 HydrophobicContact CB-CG1 3.95Å
31	A	93.1	Very high	84.3	Confident	2 Å²	2	57.3 Å²	57.3	2%	0.017	31%	0.308	C	S	.	.			trans	-138.9	57.2	-176.6	0	0	0	0	0	112.3	D29 D33 N34 I37 C60	D29-A31 VanDerWaalsContact OD1-C 3.27Å; D29-A31 PolarHBondContact OD1-N 2.78Å; A31-D33 PolarHBondContact O-N 3.28Å; A31-D33 VanDerWaalsContact O-N 3.09Å; A31-N34 CarbonylContact O-C 3.57Å; A31-N34 PolarHBondContact O-N 3.31Å; A31-I37 HydrophobicContact CB-CB 4.37Å; A31-I37 HydrophobicContact CB-CD1 3.39Å; A31-I37 HydrophobicContact CB-CG1 4.46Å; A31-I37 HydrophobicContact CB-CG2 4.06Å; A31-C60 HydrophobicContact CB-CB 4.38Å
32	P	91.5	Very high	86.9	Confident	0 Å²	0	52.6 Å²	52.6	0%	0	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-16.9	-177.8	27.9	-36.6	0	0	0	114.6	D29 N34 F181 Y504	D29-P32 VanDerWaalsContact OD2-CA 3.29Å; D29-P32 WeakPolarHBondContact OD2-CA 3.06Å; D29-P32 WeakPolarHBondContact OD2-CB 3.12Å; P32-N34 VanDerWaalsContact C-N 3.32Å; P32-F181 HydrophobicContact CG-CE2 3.54Å; P32-F181 HydrophobicContact CG-CZ 3.68Å; P32-Y504 HydrophobicContact CB-CD2 4.04Å; P32-Y504 HydrophobicContact CB-CE2 3.87Å; P32-Y504 HydrophobicContact CG-CD2 4.35Å
33	D	90.4	Very high	88.9	Confident	39 Å²	39	49 Å²	49	21%	0.209	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.5	-12.5	172.9	56.1	-51.3	0	0	0	113.9	A31 R45 Y90 K503	A31-D33 PolarHBondContact O-N 3.28Å; A31-D33 VanDerWaalsContact O-N 3.09Å; D33-R45 IonicContact OD1-CZ 3.85Å; D33-R45 IonicContact OD1-NH1 3.88Å; D33-R45 PolarHBondContact OD1-NH1 3.14Å; D33-R45 IonicContact OD1-NH2 3.72Å; D33-R45 PolarHBondContact OD1-NH2 2.78Å; D33-R45 IonicContact OD2-CZ 3.57Å; D33-R45 IonicContact OD2-NH1 4Å; D33-R45 PolarHBondContact OD2-NH1 2.86Å; D33-R45 IonicContact OD2-NH2 3.18Å; D33-R45 PolarHBondContact OD2-NH2 3.17Å; D33-Y90 HydrophobicContact CB-CE2 4.02Å; D33-K503 HydrophobicContact CB-CG 4.45Å; D33-K503 VanDerWaalsContact CB-O 3.24Å; D33-K503 WeakPolarHBondContact CB-O 3.04Å; D33-K503 WeakPolarHBondContact OD2-CE 3.14Å
34	N	90.1	Very high	90.3	Very high	56 Å²	56	52.2 Å²	52.2	30%	0.299	28%	0.275	S	S	.	.			trans	-141.6	91.4	-174.1	-173.3	-1.5	0	0	0	112.1	A31 P32 N36 I37	A31-N34 CarbonylContact O-C 3.57Å; A31-N34 PolarHBondContact O-N 3.31Å; P32-N34 VanDerWaalsContact C-N 3.32Å; N34-N36 PolarHBondContact O-N 3.39Å; N34-N36 VanDerWaalsContact OD1-C 3.29Å; N34-N36 WeakPolarHBondContact OD1-CA 3.44Å; N34-N36 PolarHBondContact OD1-N 2.96Å; N34-I37 HydrophobicContact CB-CB 4.16Å; N34-I37 WeakPolarHBondContact O-CB 3.47Å; N34-I37 WeakPolarHBondContact O-CG2 3.49Å; N34-I37 PolarHBondContact O-N 3.32Å; N34-I37 PolarHBondContact OD1-N 2.87Å; N34-I37 VanDerWaalsContact OD1-N 3.11Å
35	D	84.2	Confident	91.3	Very high	77 Å²	77	51.1 Å²	51.1	41%	0.412	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-17.1	176.7	-63.1	-54.5	0	0	0	112.9	R212 K507	D35-R212 IonicContact OD1-CZ 3.82Å; D35-R212 IonicContact OD1-NH1 2.69Å; D35-R212 PolarHBondContact OD1-NH1 2.96Å; D35-R212 IonicContact OD1-NH2 3.41Å; D35-R212 PolarHBondContact OD1-NH2 3.43Å; D35-R212 IonicContact OD2-NH1 3.95Å; D35-K507 WeakPolarHBondContact OD2-CE 3.33Å; D35-K507 IonicContact OD2-NZ 2.68Å; D35-K507 PolarHBondContact OD2-NZ 3.27Å
36	N	89.1	Confident	91.8	Very high	148 Å²	148	52.6 Å²	52.6	79%	0.791	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.4	18.7	-179.7	-65.1	-49.9	0	0	0	113.1	N34 D38	N34-N36 PolarHBondContact O-N 3.39Å; N34-N36 VanDerWaalsContact OD1-C 3.29Å; N34-N36 WeakPolarHBondContact OD1-CA 3.44Å; N34-N36 PolarHBondContact OD1-N 2.96Å; N36-D38 PolarHBondContact O-N 2.7Å
37	I	93.5	Very high	92	Very high	20 Å²	20	52.8 Å²	52.8	10%	0.103	27%	0.268	C	S	.	.			trans	-60.1	135.3	-178.7	-165.8	168.2	0	0	0	111.2	A31 N34 C42 W49 C60	A31-I37 HydrophobicContact CB-CB 4.37Å; A31-I37 HydrophobicContact CB-CD1 3.39Å; A31-I37 HydrophobicContact CB-CG1 4.46Å; A31-I37 HydrophobicContact CB-CG2 4.06Å; N34-I37 HydrophobicContact CB-CB 4.16Å; N34-I37 WeakPolarHBondContact O-CB 3.47Å; N34-I37 WeakPolarHBondContact O-CG2 3.49Å; N34-I37 PolarHBondContact O-N 3.32Å; N34-I37 PolarHBondContact OD1-N 2.87Å; N34-I37 VanDerWaalsContact OD1-N 3.11Å; I37-C42 HydrophobicContact CD1-CB 4.25Å; I37-C42 HydrophobicContact CG1-CB 4.45Å; I37-W49 HydrophobicContact CG2-CZ3 4.33Å; I37-W49 VanDerWaalsContact O-CH2 3.3Å; I37-W49 WeakPolarHBondContact O-CH2 3.34Å; I37-W49 VanDerWaalsContact O-CZ3 3.3Å; I37-W49 WeakPolarHBondContact O-CZ3 3.46Å; I37-C60 HydrophobicContact CG2-CB 3.73Å
38	D	95.2	Very high	92.2	Very high	83 Å²	83	53.1 Å²	53.1	44%	0.444	28%	0.275	S	S	.	.			trans	-91.5	168.3	174.6	67.7	20	0	0	0	112.4	N36 F40 S41 C42	N36-D38 PolarHBondContact O-N 2.7Å; D38-F40 VanDerWaalsContact C-N 3.26Å; D38-F40 PolarHBondContact O-N 2.65Å; D38-F40 PolarHBondContact OD1-N 3.42Å; D38-S41 PolarHBondContact O-N 3.39Å; D38-S41 WeakPolarHBondContact OD1-CB 3.48Å; D38-S41 PolarHBondContact OD1-N 3.43Å; D38-S41 PolarHBondContact OD1-OG 2.9Å; D38-C42 WeakPolarHBondContact O-CB 3.26Å; D38-C42 PolarHBondContact O-N 2.92Å
39	A	95.7	Very high	92.4	Very high	33 Å²	33	56.5 Å²	56.5	27%	0.273	29%	0.288	S	S	.	.	H	α-helix	trans	-58.4	-38.1	-178.1	0	0	0	0	0	113	Q43 W49	A39-Q43 VanDerWaalsContact O-CG 3.28Å; A39-Q43 WeakPolarHBondContact O-CG 3.44Å; A39-Q43 PolarHBondContact O-N 2.88Å; A39-W49 VanDerWaalsContact CA-CD2 3.49Å; A39-W49 HydrophobicContact CB-CB 4.4Å; A39-W49 HydrophobicContact CB-CD2 3.61Å; A39-W49 HydrophobicContact CB-CE3 4.22Å; A39-W49 HydrophobicContact CB-CG 3.66Å; A39-W49 HydrophobicContact CB-CZ2 4.2Å
40	F	96.4	Very high	92.5	Very high	130 Å²	130	59.7 Å²	59.7	57%	0.57	30%	0.304	S	S	*	.	H	α-helix	trans	-68.1	-49.1	-178.9	176.8	-102	0	0	0	111.4	D38 C42 Q43 Q44	D38-F40 VanDerWaalsContact C-N 3.26Å; D38-F40 PolarHBondContact O-N 2.65Å; D38-F40 PolarHBondContact OD1-N 3.42Å; F40-C42 VanDerWaalsContact C-N 3.28Å; F40-C42 PolarHBondContact O-N 3.1Å; F40-Q43 PolarHBondContact O-N 3.46Å; F40-Q44 HydrophobicContact CD1-CG 4.5Å; F40-Q44 HydrophobicContact CE1-CG 4.2Å; F40-Q44 HydrophobicContact CZ-CG 4.32Å; F40-Q44 VanDerWaalsContact CZ-NE2 3.27Å; F40-Q44 WeakPolarHBondContact O-CG 3.28Å; F40-Q44 PolarHBondContact O-N 3.15Å
41	S	94.4	Very high	92.2	Very high	37 Å²	37	63.8 Å²	63.8	26%	0.259	33%	0.333	S	S	.	.	H	α-helix	trans	-63.5	-35.4	177.5	-56.1	0	0	0	0	111.6	D38 Q44 R45	D38-S41 PolarHBondContact O-N 3.39Å; D38-S41 WeakPolarHBondContact OD1-CB 3.48Å; D38-S41 PolarHBondContact OD1-N 3.43Å; D38-S41 PolarHBondContact OD1-OG 2.9Å; S41-Q44 PolarHBondContact O-N 2.78Å; S41-R45 PolarHBondContact O-N 3.18Å
42	C	95.2	Very high	92.1	Very high	0 Å²	0	72.4 Å²	72.4	0%	0	37%	0.373	C	S	.	.	H	α-helix	trans	-62.2	-48.5	172.9	-176.4	0	0	0	0	111.9	I37 D38 F40 Q44 R45 C47 W49 C60	I37-C42 HydrophobicContact CD1-CB 4.25Å; I37-C42 HydrophobicContact CG1-CB 4.45Å; D38-C42 WeakPolarHBondContact O-CB 3.26Å; D38-C42 PolarHBondContact O-N 2.92Å; F40-C42 VanDerWaalsContact C-N 3.28Å; F40-C42 PolarHBondContact O-N 3.1Å; C42-Q44 VanDerWaalsContact C-N 3.29Å; C42-Q44 PolarHBondContact O-N 2.95Å; C42-R45 WeakPolarHBondContact O-CB 3.36Å; C42-R45 PolarHBondContact O-N 3.29Å; C42-R45 VanDerWaalsContact O-N 3.08Å; C42-C47 WeakPolarHBondContact O-CB 3.32Å; C42-C47 PolarHBondContact O-N 2.98Å; C42-C47 WeakPolarHBondContact SG-CB 3.5Å; C42-W49 HydrophobicContact CB-CE3 3.76Å; C42-W49 HydrophobicContact CB-CZ3 4.38Å; C42-C60 WeakPolarHBondContact CA-SG 3.5Å; C42-C60 HydrophobicContact CB-CB 3.77Å; C42-C60 WeakPolarHBondContact CB-SG 3.22Å; C42-C60 WeakPolarHBondContact SG-CA 3.28Å; C42-C60 WeakPolarHBondContact SG-CB 3.5Å; C42-C60 CovalentContact SG-SG 2.04Å; C42-C60 PolarHBondContact SG-SG 3.24Å
43	Q	93.1	Very high	91.9	Very high	121 Å²	121	73.1 Å²	73.1	57%	0.565	38%	0.379	S	S	*	.	H	α-helix	trans	-64.7	-32.5	177.9	-72.9	172.5	-9.7	0	0	112.5	A39 F40 R45 Q46	A39-Q43 VanDerWaalsContact O-CG 3.28Å; A39-Q43 WeakPolarHBondContact O-CG 3.44Å; A39-Q43 PolarHBondContact O-N 2.88Å; F40-Q43 PolarHBondContact O-N 3.46Å; Q43-R45 PolarHBondContact O-N 2.85Å; Q43-Q46 WeakPolarHBondContact O-CA 3.47Å; Q43-Q46 PolarHBondContact O-N 3.04Å
44	Q	91.6	Very high	91.8	Very high	129 Å²	129	74.8 Å²	74.8	60%	0.603	39%	0.392	S	S	*	.	H	α-helix	trans	-62.4	-30.1	173.1	-75.2	-173.1	-27.7	0	0	113	F40 S41 C42 Q46	F40-Q44 HydrophobicContact CD1-CG 4.5Å; F40-Q44 HydrophobicContact CE1-CG 4.2Å; F40-Q44 HydrophobicContact CZ-CG 4.32Å; F40-Q44 VanDerWaalsContact CZ-NE2 3.27Å; F40-Q44 WeakPolarHBondContact O-CG 3.28Å; F40-Q44 PolarHBondContact O-N 3.15Å; S41-Q44 PolarHBondContact O-N 2.78Å; C42-Q44 VanDerWaalsContact C-N 3.29Å; C42-Q44 PolarHBondContact O-N 2.95Å; Q44-Q46 PolarHBondContact O-N 2.91Å
45	R	89.8	Confident	91.7	Very high	49 Å²	49	79.6 Å²	79.6	19%	0.185	42%	0.417	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.2	5.4	171.5	-63.2	-178.2	-175.9	-150	0.7	113.2	D33 S41 C42 Q43 C47	D33-R45 IonicContact OD1-CZ 3.85Å; D33-R45 IonicContact OD1-NH1 3.88Å; D33-R45 PolarHBondContact OD1-NH1 3.14Å; D33-R45 IonicContact OD1-NH2 3.72Å; D33-R45 PolarHBondContact OD1-NH2 2.78Å; D33-R45 IonicContact OD2-CZ 3.57Å; D33-R45 IonicContact OD2-NH1 4Å; D33-R45 PolarHBondContact OD2-NH1 2.86Å; D33-R45 IonicContact OD2-NH2 3.18Å; D33-R45 PolarHBondContact OD2-NH2 3.17Å; S41-R45 PolarHBondContact O-N 3.18Å; C42-R45 WeakPolarHBondContact O-CB 3.36Å; C42-R45 PolarHBondContact O-N 3.29Å; C42-R45 VanDerWaalsContact O-N 3.08Å; Q43-R45 PolarHBondContact O-N 2.85Å; R45-C47 WeakPolarHBondContact CB-SG 3.37Å; R45-C47 PolarHBondContact O-N 2.94Å
46	Q	90.1	Very high	91.8	Very high	131 Å²	131	78.5 Å²	78.5	61%	0.612	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.5	29.4	-174.5	-56.5	179.5	-66.4	0	0	112.8	Q43 Q44 P63	Q43-Q46 WeakPolarHBondContact O-CA 3.47Å; Q43-Q46 PolarHBondContact O-N 3.04Å; Q44-Q46 PolarHBondContact O-N 2.91Å; Q46-P63 WeakPolarHBondContact O-CG 3.46Å
47	C	93.6	Very high	91.9	Very high	10 Å²	10	72.1 Å²	72.1	7%	0.068	39%	0.392	C	S	.	.	P	Polyproline II helix	trans	-92	163.2	175.6	-54.4	0	0	0	0	111	C30 C42 R45 C60 Q61	C30-C47 HydrophobicContact CB-CB 3.56Å; C30-C47 WeakPolarHBondContact CB-SG 3.03Å; C30-C47 WeakPolarHBondContact SG-CB 3.26Å; C30-C47 CovalentContact SG-SG 2.01Å; C30-C47 PolarHBondContact SG-SG 2.88Å; C42-C47 WeakPolarHBondContact O-CB 3.32Å; C42-C47 PolarHBondContact O-N 2.98Å; C42-C47 WeakPolarHBondContact SG-CB 3.5Å; R45-C47 WeakPolarHBondContact CB-SG 3.37Å; R45-C47 PolarHBondContact O-N 2.94Å; C47-C60 WeakPolarHBondContact CB-SG 3.31Å; C47-Q61 WeakPolarHBondContact CB-O 3.39Å
48	A	93.2	Very high	91.9	Very high	35 Å²	35	72 Å²	72	29%	0.289	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	129	175	0	0	0	0	0	110.6	Q61 P63	A48-Q61 PolarHBondContact N-O 3.03Å; A48-Q61 PolarHBondContact O-N 3.43Å; A48-P63 HydrophobicContact CB-CG 4.4Å
49	W	95.3	Very high	91.9	Very high	76 Å²	76	72.9 Å²	72.9	29%	0.288	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	122.7	174.1	-179.4	-96	0	0	0	111	I37 A39 C42 K59 C60	I37-W49 HydrophobicContact CG2-CZ3 4.33Å; I37-W49 VanDerWaalsContact O-CH2 3.3Å; I37-W49 WeakPolarHBondContact O-CH2 3.34Å; I37-W49 VanDerWaalsContact O-CZ3 3.3Å; I37-W49 WeakPolarHBondContact O-CZ3 3.46Å; A39-W49 VanDerWaalsContact CA-CD2 3.49Å; A39-W49 HydrophobicContact CB-CB 4.4Å; A39-W49 HydrophobicContact CB-CD2 3.61Å; A39-W49 HydrophobicContact CB-CE3 4.22Å; A39-W49 HydrophobicContact CB-CG 3.66Å; A39-W49 HydrophobicContact CB-CZ2 4.2Å; C42-W49 HydrophobicContact CB-CE3 3.76Å; C42-W49 HydrophobicContact CB-CZ3 4.38Å; W49-K59 CarbonylContact C-O 3.48Å; W49-K59 WeakPolarHBondContact CA-O 3.39Å; W49-K59 HydrophobicContact CD2-CB 4.28Å; W49-K59 HydrophobicContact CE3-CB 3.98Å; W49-K59 HydrophobicContact CH2-CB 3.7Å; W49-K59 HydrophobicContact CH2-CD 3.92Å; W49-K59 HydrophobicContact CH2-CG 4.46Å; W49-K59 HydrophobicContact CZ2-CB 3.98Å; W49-K59 HydrophobicContact CZ2-CD 3.77Å; W49-K59 HydrophobicContact CZ3-CB 3.69Å; W49-C60 HydrophobicContact CE3-CB 4.25Å; W49-C60 HydrophobicContact CZ3-CB 4.41Å
50	L	93	Very high	91.8	Very high	78 Å²	78	71.4 Å²	71.4	41%	0.408	38%	0.38	S	S	.	.			trans	-112.4	105	175.5	-59.4	-172.1	0	0	0	110.2	E52 A53 K59 Q61	L50-E52 VanDerWaalsContact C-N 3.27Å; L50-E52 PolarHBondContact O-N 3.04Å; L50-A53 HydrophobicContact CB-CB 4.4Å; L50-A53 PolarHBondContact O-N 3.24Å; L50-K59 PolarHBondContact N-O 3.27Å; L50-Q61 VanDerWaalsContact CD1-CD 3.47Å; L50-Q61 HydrophobicContact CD1-CG 4.35Å
51	S	88.8	Confident	91.7	Very high	85 Å²	85	65.8 Å²	65.8	59%	0.594	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-30.7	-179.1	50.5	0	0	0	0	113.6
52	E	88.9	Confident	91.6	Very high	183 Å²	183	64.1 Å²	64.1	86%	0.855	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.5	30.1	-176.4	-60	-176.9	176.1	0	0	112.4	L50	L50-E52 VanDerWaalsContact C-N 3.27Å; L50-E52 PolarHBondContact O-N 3.04Å
53	A	87.9	Confident	91.4	Very high	15 Å²	15	65.2 Å²	65.2	12%	0.124	35%	0.351	C	S	.	.	P	Polyproline II helix	trans	-58.9	141.6	173.4	0	0	0	0	0	110.6	L50 A57 K59	L50-A53 HydrophobicContact CB-CB 4.4Å; L50-A53 PolarHBondContact O-N 3.24Å; A53-A57 HydrophobicContact CB-CB 4.24Å; A53-K59 HydrophobicContact CB-CG 4.06Å
54	P	87.7	Confident	90.9	Very high	74 Å²	74	64.8 Å²	64.8	48%	0.481	35%	0.349	S	S	.	.	P	Polyproline II helix	trans	-53.6	152.3	175.9	-24.9	32.8	0	0	0	112.3	G56 A57	P54-G56 PolarHBondContact O-N 3.28Å; P54-A57 HydrophobicContact CB-CB 4.1Å; P54-A57 HydrophobicContact CG-CB 4.31Å; P54-A57 WeakPolarHBondContact O-CA 3.37Å; P54-A57 WeakPolarHBondContact O-CB 3.15Å; P54-A57 PolarHBondContact O-N 3.33Å
55	D	88.2	Confident	90.6	Very high	157 Å²	157	65.3 Å²	65.3	84%	0.84	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.6	128.3	176.2	-69.6	-28.6	0	0	0	111.1	A57 W210	D55-A57 VanDerWaalsContact C-N 3.27Å; D55-A57 PolarHBondContact O-N 3.07Å; D55-W210 PolarHBondContact O-NE1 3.26Å
56	G	87	Confident	90.5	Very high	55 Å²	55	64 Å²	64	57%	0.567	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.1	-18.3	-174.6	0	0	0	0	0	114.9	P54 W210	P54-G56 PolarHBondContact O-N 3.28Å; G56-W210 WeakPolarHBondContact O-CB 3.34Å
57	A	91.8	Very high	90.5	Very high	13 Å²	13	63 Å²	63	11%	0.107	35%	0.346	C	S	.	.	S	Bend	trans	-74.6	149.5	174.1	0	0	0	0	0	111	A53 P54 D55 W210	A53-A57 HydrophobicContact CB-CB 4.24Å; P54-A57 HydrophobicContact CB-CB 4.1Å; P54-A57 HydrophobicContact CG-CB 4.31Å; P54-A57 WeakPolarHBondContact O-CA 3.37Å; P54-A57 WeakPolarHBondContact O-CB 3.15Å; P54-A57 PolarHBondContact O-N 3.33Å; D55-A57 VanDerWaalsContact C-N 3.27Å; D55-A57 PolarHBondContact O-N 3.07Å; A57-W210 HydrophobicContact CB-CD2 4.11Å; A57-W210 HydrophobicContact CB-CE3 4.32Å; A57-W210 HydrophobicContact CB-CH2 3.67Å; A57-W210 HydrophobicContact CB-CZ2 3.39Å; A57-W210 HydrophobicContact CB-CZ3 4.11Å
58	P	93	Very high	90.5	Very high	17 Å²	17	62.6 Å²	62.6	11%	0.11	34%	0.343	C	S	.	.			trans	-71.2	134.4	177.8	34.4	-33.3	0	0	0	109.6	I27 D29 Q61 W260	I27-P58 VanDerWaalsContact CG2-CD 3.42Å; I27-P58 HydrophobicContact CG2-CG 3.57Å; D29-P58 HydrophobicContact CB-CB 3.72Å; D29-P58 HydrophobicContact CB-CG 3.84Å; P58-Q61 HydrophobicContact CG-CG 4.14Å; P58-Q61 WeakPolarHBondContact O-CG 3.24Å; P58-Q61 PolarHBondContact O-NE2 3.24Å; P58-W260 HydrophobicContact CB-CH2 3.99Å; P58-W260 HydrophobicContact CG-CH2 3.53Å; P58-W260 HydrophobicContact CG-CZ2 4.5Å; P58-W260 HydrophobicContact CG-CZ3 4.22Å
59	K	94.4	Very high	90.6	Very high	103 Å²	103	61 Å²	61	45%	0.448	33%	0.33	S	S	.	.	S	Bend	trans	-77.4	-31.2	171.3	-66.4	-174.8	-179.8	178.8	0	112.2	W49 L50 A53	W49-K59 CarbonylContact C-O 3.48Å; W49-K59 WeakPolarHBondContact CA-O 3.39Å; W49-K59 HydrophobicContact CD2-CB 4.28Å; W49-K59 HydrophobicContact CE3-CB 3.98Å; W49-K59 HydrophobicContact CH2-CB 3.7Å; W49-K59 HydrophobicContact CH2-CD 3.92Å; W49-K59 HydrophobicContact CH2-CG 4.46Å; W49-K59 HydrophobicContact CZ2-CB 3.98Å; W49-K59 HydrophobicContact CZ2-CD 3.77Å; W49-K59 HydrophobicContact CZ3-CB 3.69Å; L50-K59 PolarHBondContact N-O 3.27Å; A53-K59 HydrophobicContact CB-CG 4.06Å
60	C	95.3	Very high	90.6	Very high	2 Å²	2	57.7 Å²	57.7	1%	0.014	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	105.3	176.2	-168.3	0	0	0	0	110.6	C30 A31 I37 C42 C47 W49	C30-C60 PolarHBondContact N-O 2.83Å; A31-C60 HydrophobicContact CB-CB 4.38Å; I37-C60 HydrophobicContact CG2-CB 3.73Å; C42-C60 WeakPolarHBondContact CA-SG 3.5Å; C42-C60 HydrophobicContact CB-CB 3.77Å; C42-C60 WeakPolarHBondContact CB-SG 3.22Å; C42-C60 WeakPolarHBondContact SG-CA 3.28Å; C42-C60 WeakPolarHBondContact SG-CB 3.5Å; C42-C60 CovalentContact SG-SG 2.04Å; C42-C60 PolarHBondContact SG-SG 3.24Å; C47-C60 WeakPolarHBondContact CB-SG 3.31Å; W49-C60 HydrophobicContact CE3-CB 4.25Å; W49-C60 HydrophobicContact CZ3-CB 4.41Å
61	Q	93.6	Very high	90.8	Very high	11 Å²	11	55.5 Å²	55.5	5%	0.051	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	152	-171.2	-55.7	-167.3	2.1	0	0	112.2	I27 T28 C47 A48 L50 P58	I27-Q61 HydrophobicContact CG2-CG 4.43Å; I27-Q61 VanDerWaalsContact CG2-NE2 3.3Å; T28-Q61 VanDerWaalsContact O-CA 3.23Å; T28-Q61 WeakPolarHBondContact O-CA 3.05Å; T28-Q61 WeakPolarHBondContact O-CB 3.39Å; T28-Q61 WeakPolarHBondContact O-CG 3.46Å; C47-Q61 WeakPolarHBondContact CB-O 3.39Å; A48-Q61 PolarHBondContact N-O 3.03Å; A48-Q61 PolarHBondContact O-N 3.43Å; L50-Q61 VanDerWaalsContact CD1-CD 3.47Å; L50-Q61 HydrophobicContact CD1-CG 4.35Å; P58-Q61 HydrophobicContact CG-CG 4.14Å; P58-Q61 WeakPolarHBondContact O-CG 3.24Å; P58-Q61 PolarHBondContact O-NE2 3.24Å
62	I	92.6	Very high	91.1	Very high	2 Å²	2	56.4 Å²	56.4	1%	0.01	30%	0.302	C	S	.	.			trans	-68	130.4	171.5	-54.6	173.3	0	0	0	106.6	T28 C30 Q64 H66 F89 D174	T28-I62 VanDerWaalsContact OG1-CB 3.28Å; T28-I62 WeakPolarHBondContact OG1-CB 3.48Å; T28-I62 PolarHBondContact OG1-N 3.24Å; T28-I62 PolarHBondContact OG1-O 2.8Å; C30-I62 HydrophobicContact CB-CG1 3.95Å; I62-Q64 PolarHBondContact O-N 3.26Å; I62-H66 HydrophobicContact CG2-CB 3.6Å; I62-F89 HydrophobicContact CD1-CD1 4.36Å; I62-F89 HydrophobicContact CD1-CE1 3.67Å; I62-F89 HydrophobicContact CD1-CE2 3.93Å; I62-F89 HydrophobicContact CD1-CZ 3.43Å; I62-F89 VanDerWaalsContact CD1-CZ 3.43Å; I62-F89 HydrophobicContact CG1-CD1 4.46Å; I62-F89 HydrophobicContact CG1-CE1 4.25Å; I62-F89 HydrophobicContact CG1-CE2 4.36Å; I62-F89 HydrophobicContact CG1-CZ 4.21Å; I62-D174 HydrophobicContact CD1-CB 3.79Å
63	P	89.8	Confident	91.4	Very high	24 Å²	24	49.5 Å²	49.5	16%	0.156	28%	0.277	C	S	.	.			trans	-55.4	139.9	179.5	-25	34.9	0	0	0	111.5	Q46 A48 D65 H66	Q46-P63 WeakPolarHBondContact O-CG 3.46Å; A48-P63 HydrophobicContact CB-CG 4.4Å; P63-D65 WeakPolarHBondContact CB-OD1 3.46Å; P63-D65 PolarHBondContact O-N 2.98Å; P63-H66 HydrophobicContact CB-CB 4.43Å; P63-H66 WeakPolarHBondContact O-CB 3.44Å; P63-H66 PolarHBondContact O-N 3.3Å
64	Q	82.2	Confident	91.6	Very high	112 Å²	112	54.9 Å²	54.9	52%	0.523	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-24.9	-177	-67	-66	-41.1	0	0	113	I62 H66	I62-Q64 PolarHBondContact O-N 3.26Å; Q64-H66 VanDerWaalsContact C-N 3.3Å
65	D	85.6	Confident	91.8	Very high	139 Å²	139	57.1 Å²	57.1	74%	0.743	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.2	0.7	174	66.8	-32.9	0	0	0	113.2	P63 K67	P63-D65 WeakPolarHBondContact CB-OD1 3.46Å; P63-D65 PolarHBondContact O-N 2.98Å; D65-K67 PolarHBondContact O-N 3.02Å
66	H	89.2	Confident	92	Very high	22 Å²	22	51.9 Å²	51.9	10%	0.102	28%	0.278	C	S	.	.			trans	-61.1	121.8	174.4	-172.8	75.7	0	0	0	109.7	I62 P63 Q64 G68 Y84 A87 S173	I62-H66 HydrophobicContact CG2-CB 3.6Å; P63-H66 HydrophobicContact CB-CB 4.43Å; P63-H66 WeakPolarHBondContact O-CB 3.44Å; P63-H66 PolarHBondContact O-N 3.3Å; Q64-H66 VanDerWaalsContact C-N 3.3Å; H66-G68 PolarHBondContact CD2-N 2.85Å; H66-G68 PolarHBondContact NE2-N 2.88Å; H66-Y84 AromaticContact CE1-CZ 3.85Å; H66-Y84 PolarHBondContact CE1-OH 3.31Å; H66-Y84 AromaticContact NE2-CZ 3.6Å; H66-Y84 PolarHBondContact NE2-OH 3.29Å; H66-A87 PolarHBondContact CE1-O 3.14Å; H66-S173 PolarHBondContact CD2-O 3.19Å; H66-S173 WeakPolarHBondContact O-CB 3.48Å; H66-S173 PolarHBondContact O-OG 2.84Å
67	K	88.3	Confident	92.1	Very high	111 Å²	111	51.7 Å²	51.7	48%	0.483	27%	0.271	S	S	.	.			trans	-79.4	-30	-175.1	-69	-170.5	174.7	-171.8	0	113.7	D65 E85 P152	D65-K67 PolarHBondContact O-N 3.02Å; K67-E85 HydrophobicContact CB-CB 3.92Å; K67-E85 WeakPolarHBondContact CB-O 3.34Å; K67-E85 HydrophobicContact CD-CB 4.07Å; K67-E85 WeakPolarHBondContact CD-OE2 3.3Å; K67-E85 IonicContact NZ-OE2 3.96Å; K67-E85 PolarHBondContact NZ-OE2 2.89Å; K67-P152 VanDerWaalsContact O-CB 3.28Å; K67-P152 WeakPolarHBondContact O-CB 3.29Å
68	G	93.6	Very high	92.1	Very high	1 Å²	1	51 Å²	51	1%	0.01	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	55.6	-139.5	-178.1	0	0	0	0	0	112.1	H66 E85	H66-G68 PolarHBondContact CD2-N 2.85Å; H66-G68 PolarHBondContact NE2-N 2.88Å; G68-E85 PolarHBondContact N-O 3.38Å; G68-E85 PolarHBondContact O-N 3.46Å
69	Y	96	Very high	92.3	Very high	2 Å²	2	51 Å²	51	1%	0.008	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	138.4	177.1	-72.3	-83.1	0	0	0	112.8	L82 K83 Y84 V93 V94 I97 P152 F153 L175 V177	Y69-L82 HydrophobicContact CD1-CB 3.94Å; Y69-L82 HydrophobicContact CG-CB 4.34Å; Y69-K83 CarbonylContact C-O 3.51Å; Y69-K83 WeakPolarHBondContact CA-O 3.42Å; Y69-Y84 HydrophobicContact CD1-CD2 4.24Å; Y69-Y84 AromaticContact CD2-CD2 3.8Å; Y69-Y84 HydrophobicContact CD2-CD2 3.8Å; Y69-Y84 HydrophobicContact CD2-CE2 4.44Å; Y69-Y84 HydrophobicContact CE1-CD2 4.04Å; Y69-Y84 HydrophobicContact CE1-CG 4.38Å; Y69-Y84 AromaticContact CE2-CD2 3.61Å; Y69-Y84 HydrophobicContact CE2-CD2 3.61Å; Y69-Y84 HydrophobicContact CE2-CE2 4.21Å; Y69-Y84 HydrophobicContact CG-CD2 4.13Å; Y69-Y84 AromaticContact CZ-CD2 3.73Å; Y69-V93 HydrophobicContact CE1-CG1 4.38Å; Y69-V93 WeakPolarHBondContact OH-CG1 3.3Å; Y69-V94 WeakPolarHBondContact CE1-O 3.36Å; Y69-V94 PolarHBondContact OH-O 2.81Å; Y69-I97 HydrophobicContact CD1-CD1 3.45Å; Y69-I97 VanDerWaalsContact CD1-CD1 3.45Å; Y69-I97 HydrophobicContact CD1-CG1 3.64Å; Y69-I97 HydrophobicContact CD2-CD1 3.82Å; Y69-I97 HydrophobicContact CE1-CB 4.41Å; Y69-I97 HydrophobicContact CE1-CD1 3.37Å; Y69-I97 HydrophobicContact CE1-CG1 3.52Å; Y69-I97 HydrophobicContact CE1-CG2 4.13Å; Y69-I97 HydrophobicContact CE2-CD1 3.72Å; Y69-I97 HydrophobicContact CG-CD1 3.67Å; Y69-I97 HydrophobicContact CG-CG1 4.32Å; Y69-I97 VanDerWaalsContact CZ-CD1 3.5Å; Y69-P152 CarbonylContact O-C 3.44Å; Y69-P152 WeakPolarHBondContact O-CA 3.4Å; Y69-F153 WeakPolarHBondContact O-CB 3.49Å; Y69-F153 PolarHBondContact O-N 2.02Å; Y69-L175 HydrophobicContact CD2-CB 4.28Å; Y69-L175 HydrophobicContact CD2-CD2 3.94Å; Y69-L175 HydrophobicContact CD2-CG 3.72Å; Y69-L175 VanDerWaalsContact CD2-O 3.24Å; Y69-L175 WeakPolarHBondContact CD2-O 3.47Å; Y69-L175 HydrophobicContact CE2-CG 4.24Å; Y69-L175 WeakPolarHBondContact CE2-O 3.41Å; Y69-L175 HydrophobicContact CG-CD2 4.31Å; Y69-V177 HydrophobicContact CE2-CG2 4.41Å; Y69-V177 PolarHBondContact OH-O 3.17Å
70	S	95.8	Very high	92.4	Very high	6 Å²	6	46.2 Å²	46.2	4%	0.042	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	152.7	170.6	-67.5	0	0	0	0	110.4	E72 L82 K83 E85 T150 S151	S70-E72 PolarHBondContact O-N 3.25Å; S70-E72 VanDerWaalsContact O-N 3.12Å; S70-L82 CarbonylContact O-C 3.58Å; S70-L82 WeakPolarHBondContact O-CA 3.26Å; S70-K83 PolarHBondContact N-O 3.16Å; S70-K83 PolarHBondContact O-N 3.04Å; S70-E85 WeakPolarHBondContact CB-OE1 3.31Å; S70-T150 CarbonylContact C-O 3.57Å; S70-T150 VanDerWaalsContact CA-O 3.32Å; S70-T150 WeakPolarHBondContact CA-O 3.43Å; S70-S151 WeakPolarHBondContact OG-CB 3.32Å; S70-S151 PolarHBondContact OG-OG 2.88Å
71	V	96.1	Very high	92.6	Very high	32 Å²	32	47.3 Å²	47.3	19%	0.194	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.4	115.4	176.6	177.2	0	0	0	0	109.8	K74 L82 Y99 T150 F153	V71-K74 HydrophobicContact CG1-CG 3.64Å; V71-L82 HydrophobicContact CB-CD2 4.31Å; V71-L82 HydrophobicContact CG2-CD2 3.75Å; V71-Y99 HydrophobicContact CG2-CE1 4.38Å; V71-T150 HydrophobicContact CB-CG2 4.43Å; V71-T150 HydrophobicContact CG2-CG2 4.12Å; V71-T150 PolarHBondContact N-O 3.19Å; V71-F153 HydrophobicContact CG2-CD2 3.65Å; V71-F153 HydrophobicContact CG2-CE2 4.2Å
72	E	95.6	Very high	92.8	Very high	103 Å²	103	46.8 Å²	46.8	48%	0.481	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	-50.1	176.7	178.4	179.9	-129.8	0	0	110.6	S70 T81 K83	S70-E72 PolarHBondContact O-N 3.25Å; S70-E72 VanDerWaalsContact O-N 3.12Å; E72-T81 PolarHBondContact N-O 2.94Å; E72-T81 PolarHBondContact OE2-OG1 2.8Å; E72-K83 HydrophobicContact CB-CB 3.88Å; E72-K83 HydrophobicContact CG-CB 4.3Å
73	A	95	Very high	93	Very high	38 Å²	38	51.6 Å²	51.6	31%	0.314	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	130.8	177.5	0	0	0	0	0	110.5	G80 T81	A73-G80 CarbonylContact O-C 3.49Å; A73-G80 WeakPolarHBondContact O-CA 3.36Å; A73-T81 PolarHBondContact N-O 2.68Å; A73-T81 PolarHBondContact N-OG1 3.45Å; A73-T81 PolarHBondContact O-N 3.3Å
74	K	92.5	Very high	93.3	Very high	129 Å²	129	51.6 Å²	51.6	56%	0.561	27%	0.267	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.5	116.1	165.5	-66	-173.5	176.8	-177.6	0	108	V71	V71-K74 HydrophobicContact CG1-CG 3.64Å
75	L	92.5	Very high	93.8	Very high	121 Å²	121	49.3 Å²	49.3	63%	0.634	26%	0.257	S	S	*	.	S	Bend	trans	-86.8	-36	176.7	-63.2	176	0	0	0	110.6	T79	L75-T79 PolarHBondContact N-O 2.86Å
76	T	92.1	Very high	93.9	Very high	47 Å²	47	45.3 Å²	45.3	29%	0.288	25%	0.249	S	C	.	.	S	Bend	trans	-141.5	-171.4	175.7	66.5	0	0	0	0	110.3	T78 T79 D137	T76-T78 PolarHBondContact O-N 3.28Å; T76-T78 PolarHBondContact OG1-N 3.43Å; T76-T79 WeakPolarHBondContact CG2-OG1 3.22Å; T76-T79 PolarHBondContact N-O 3.24Å; T76-T79 WeakPolarHBondContact OG1-CB 3.02Å; T76-T79 WeakPolarHBondContact OG1-CG2 3.32Å; T76-T79 PolarHBondContact OG1-N 2.9Å; T76-T79 PolarHBondContact OG1-OG1 2.88Å; T76-D137 WeakPolarHBondContact CB-OD1 3.05Å; T76-D137 WeakPolarHBondContact CB-OD2 3.02Å; T76-D137 PolarHBondContact OG1-OD1 3.45Å
77	A	88.8	Confident	93.8	Very high	50 Å²	50	45.9 Å²	45.9	41%	0.413	26%	0.257	S	S	.	.	S	Bend	trans	-66.4	-27.4	173.4	0	0	0	0	0	111.7	D137 T139 L148	A77-D137 PolarHBondContact N-OD1 3.38Å; A77-D137 PolarHBondContact N-OD2 2.99Å; A77-T139 HydrophobicContact CB-CG2 4.14Å; A77-L148 VanDerWaalsContact O-CD1 3.29Å; A77-L148 WeakPolarHBondContact O-CD1 3.44Å
78	T	92.6	Very high	93.8	Very high	0 Å²	0	44 Å²	44	0%	0	26%	0.256	C	S	.	.	S	Bend	trans	-125	3.7	-174.6	75.8	0	0	0	0	116	T76 Y99 I101 D137 V138 T139	T76-T78 PolarHBondContact O-N 3.28Å; T76-T78 PolarHBondContact OG1-N 3.43Å; T78-Y99 WeakPolarHBondContact O-CE2 3.28Å; T78-I101 WeakPolarHBondContact CB-O 3.5Å; T78-I101 PolarHBondContact O-N 2.86Å; T78-I101 VanDerWaalsContact O-N 3.1Å; T78-I101 PolarHBondContact OG1-O 2.84Å; T78-D137 PolarHBondContact N-OD1 3.35Å; T78-D137 PolarHBondContact OG1-OD1 2.9Å; T78-V138 WeakPolarHBondContact CG2-O 3.29Å; T78-T139 HydrophobicContact CG2-CG2 3.94Å
79	T	96.2	Very high	93.4	Very high	16 Å²	16	44.5 Å²	44.5	10%	0.098	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	152.2	175.6	72.2	0	0	0	0	113.7	L75 T76 Y99 D100	L75-T79 PolarHBondContact N-O 2.86Å; T76-T79 WeakPolarHBondContact CG2-OG1 3.22Å; T76-T79 PolarHBondContact N-O 3.24Å; T76-T79 WeakPolarHBondContact OG1-CB 3.02Å; T76-T79 WeakPolarHBondContact OG1-CG2 3.32Å; T76-T79 PolarHBondContact OG1-N 2.9Å; T76-T79 PolarHBondContact OG1-OG1 2.88Å; T79-Y99 VanDerWaalsContact C-CZ 3.49Å; T79-Y99 WeakPolarHBondContact CA-O 3.44Å; T79-D100 HydrophobicContact CG2-CB 3.87Å; T79-D100 WeakPolarHBondContact CG2-OD1 3.5Å
80	G	97.4	Very high	92.9	Very high	2 Å²	2	45.1 Å²	45.1	2%	0.021	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-179.9	-174.5	176.8	0	0	0	0	0	113.8	A73 A98 Y99	A73-G80 CarbonylContact O-C 3.49Å; A73-G80 WeakPolarHBondContact O-CA 3.36Å; G80-A98 WeakPolarHBondContact O-CA 3.24Å; G80-Y99 VanDerWaalsContact C-CE1 3.42Å; G80-Y99 VanDerWaalsContact N-CZ 3.32Å; G80-Y99 PolarHBondContact N-O 2.93Å; G80-Y99 VanDerWaalsContact N-O 3.16Å; G80-Y99 VanDerWaalsContact O-CD1 3.28Å; G80-Y99 WeakPolarHBondContact O-CD1 3.44Å; G80-Y99 PolarHBondContact O-N 3.07Å
81	T	98.3	Very high	92.5	Very high	25 Å²	25	45.9 Å²	45.9	15%	0.153	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	151.1	170.8	63.6	0	0	0	0	110.5	E72 A73 I97 A116	E72-T81 PolarHBondContact N-O 2.94Å; E72-T81 PolarHBondContact OE2-OG1 2.8Å; A73-T81 PolarHBondContact N-O 2.68Å; A73-T81 PolarHBondContact N-OG1 3.45Å; A73-T81 PolarHBondContact O-N 3.3Å; T81-I97 CarbonylContact C-O 3.59Å; T81-I97 VanDerWaalsContact CA-O 3.28Å; T81-I97 WeakPolarHBondContact CA-O 3.33Å; T81-A116 HydrophobicContact CG2-CB 4.42Å
82	L	97.9	Very high	92.3	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	141.6	176.2	-43.8	172.2	0	0	0	109.3	Y69 S70 V71 P96 I97 Y99 F153 L175	Y69-L82 HydrophobicContact CD1-CB 3.94Å; Y69-L82 HydrophobicContact CG-CB 4.34Å; S70-L82 CarbonylContact O-C 3.58Å; S70-L82 WeakPolarHBondContact O-CA 3.26Å; V71-L82 HydrophobicContact CB-CD2 4.31Å; V71-L82 HydrophobicContact CG2-CD2 3.75Å; L82-P96 VanDerWaalsContact O-CA 3.28Å; L82-P96 WeakPolarHBondContact O-CA 3.31Å; L82-I97 HydrophobicContact CB-CD1 4.33Å; L82-I97 HydrophobicContact CB-CG1 3.73Å; L82-I97 HydrophobicContact CD1-CD1 3.83Å; L82-I97 HydrophobicContact CD1-CG1 3.93Å; L82-I97 HydrophobicContact CG-CG1 4.15Å; L82-I97 PolarHBondContact N-O 3.37Å; L82-I97 PolarHBondContact O-N 2.79Å; L82-Y99 HydrophobicContact CD1-CD1 4.28Å; L82-Y99 HydrophobicContact CD2-CD1 3.44Å; L82-Y99 VanDerWaalsContact CD2-CD1 3.44Å; L82-Y99 HydrophobicContact CD2-CE1 3.62Å; L82-Y99 HydrophobicContact CG-CD1 3.77Å; L82-Y99 HydrophobicContact CG-CE1 4.39Å; L82-F153 HydrophobicContact CD1-CB 3.97Å; L82-F153 HydrophobicContact CD1-CD1 3.19Å; L82-F153 HydrophobicContact CD1-CD2 4.14Å; L82-F153 HydrophobicContact CD1-CE1 3.58Å; L82-F153 HydrophobicContact CD1-CE2 4.46Å; L82-F153 HydrophobicContact CD1-CG 3.48Å; L82-F153 VanDerWaalsContact CD1-CG 3.48Å; L82-F153 HydrophobicContact CD1-CZ 4.2Å; L82-F153 HydrophobicContact CD2-CB 3.92Å; L82-F153 HydrophobicContact CD2-CD1 4.06Å; L82-F153 HydrophobicContact CD2-CD2 3.38Å; L82-F153 HydrophobicContact CD2-CE1 4.42Å; L82-F153 HydrophobicContact CD2-CE2 3.82Å; L82-F153 HydrophobicContact CD2-CG 3.49Å; L82-F153 VanDerWaalsContact CD2-CG 3.49Å; L82-F153 HydrophobicContact CD2-CZ 4.31Å; L82-F153 HydrophobicContact CG-CD1 4.27Å; L82-F153 HydrophobicContact CG-CD2 4.42Å; L82-F153 HydrophobicContact CG-CG 4.13Å; L82-L175 HydrophobicContact CD1-CD2 4.2Å
83	K	97.3	Very high	92.3	Very high	104 Å²	104	46.4 Å²	46.4	45%	0.452	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	136.7	174.1	178.1	177.1	-176.8	174.9	0	109.5	Y69 S70 E72	Y69-K83 CarbonylContact C-O 3.51Å; Y69-K83 WeakPolarHBondContact CA-O 3.42Å; S70-K83 PolarHBondContact N-O 3.16Å; S70-K83 PolarHBondContact O-N 3.04Å; E72-K83 HydrophobicContact CB-CB 3.88Å; E72-K83 HydrophobicContact CG-CB 4.3Å
84	Y	96.2	Very high	92.4	Very high	23 Å²	23	45.5 Å²	45.5	9%	0.09	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	128.8	174.5	-167.5	-96.6	0	0	0	111.3	H66 Y69 G86 A87 V93 S95 Y176	H66-Y84 AromaticContact CE1-CZ 3.85Å; H66-Y84 PolarHBondContact CE1-OH 3.31Å; H66-Y84 AromaticContact NE2-CZ 3.6Å; H66-Y84 PolarHBondContact NE2-OH 3.29Å; Y69-Y84 HydrophobicContact CD1-CD2 4.24Å; Y69-Y84 AromaticContact CD2-CD2 3.8Å; Y69-Y84 HydrophobicContact CD2-CD2 3.8Å; Y69-Y84 HydrophobicContact CD2-CE2 4.44Å; Y69-Y84 HydrophobicContact CE1-CD2 4.04Å; Y69-Y84 HydrophobicContact CE1-CG 4.38Å; Y69-Y84 AromaticContact CE2-CD2 3.61Å; Y69-Y84 HydrophobicContact CE2-CD2 3.61Å; Y69-Y84 HydrophobicContact CE2-CE2 4.21Å; Y69-Y84 HydrophobicContact CG-CD2 4.13Å; Y69-Y84 AromaticContact CZ-CD2 3.73Å; Y84-G86 WeakPolarHBondContact CE1-O 3.33Å; Y84-A87 PolarHBondContact OH-O 2.98Å; Y84-V93 HydrophobicContact CD1-CB 4.37Å; Y84-V93 HydrophobicContact CD1-CG1 4.04Å; Y84-V93 HydrophobicContact CD1-CG2 4.09Å; Y84-V93 HydrophobicContact CD2-CG1 3.66Å; Y84-V93 HydrophobicContact CE1-CG2 3.91Å; Y84-V93 HydrophobicContact CE2-CG1 4.18Å; Y84-V93 HydrophobicContact CE2-CG2 4.32Å; Y84-V93 HydrophobicContact CG-CB 4.35Å; Y84-V93 HydrophobicContact CG-CG1 3.55Å; Y84-V93 HydrophobicContact CG-CG2 4.36Å; Y84-S95 PolarHBondContact N-OG 3.38Å; Y84-S95 VanDerWaalsContact N-OG 3.13Å; Y84-Y176 AromaticContact CE2-CD2 3.84Å; Y84-Y176 HydrophobicContact CE2-CD2 3.84Å; Y84-Y176 AromaticContact CE2-CE2 4Å; Y84-Y176 HydrophobicContact CE2-CE2 4Å; Y84-Y176 AromaticContact CZ-CE2 3.84Å; Y84-Y176 WeakPolarHBondContact OH-CE2 3.44Å
85	E	92.4	Very high	92.6	Very high	64 Å²	64	41.9 Å²	41.9	30%	0.299	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	119.3	176.6	-67.3	-175.1	-154.5	0	0	110.2	K67 G68 S70	K67-E85 HydrophobicContact CB-CB 3.92Å; K67-E85 WeakPolarHBondContact CB-O 3.34Å; K67-E85 HydrophobicContact CD-CB 4.07Å; K67-E85 WeakPolarHBondContact CD-OE2 3.3Å; K67-E85 IonicContact NZ-OE2 3.96Å; K67-E85 PolarHBondContact NZ-OE2 2.89Å; G68-E85 PolarHBondContact N-O 3.38Å; G68-E85 PolarHBondContact O-N 3.46Å; S70-E85 WeakPolarHBondContact CB-OE1 3.31Å
86	G	87.5	Confident	92.8	Very high	56 Å²	56	37.3 Å²	37.3	58%	0.577	24%	0.24	S	C	*	.	S	Bend	trans	119.9	-176.6	178.6	0	0	0	0	0	112.1	Y84	Y84-G86 WeakPolarHBondContact CE1-O 3.33Å
87	A	86.6	Confident	93.1	Very high	34 Å²	34	35 Å²	35	28%	0.281	23%	0.226	S	C	.	.			trans	-80.3	140.7	-180	0	0	0	0	0	112	H66 Y84 F89	H66-A87 PolarHBondContact CE1-O 3.14Å; Y84-A87 PolarHBondContact OH-O 2.98Å; A87-F89 PolarHBondContact O-N 3.23Å
88	P	89.2	Confident	93.5	Very high	71 Å²	71	34 Å²	34	46%	0.461	22%	0.218	S	C	.	.			trans	-62	128.6	166.9	-23	34.7	0	0	0	111.4	G91 V93	P88-G91 WeakPolarHBondContact CB-O 3.26Å; P88-V93 HydrophobicContact CB-CG2 3.77Å; P88-V93 HydrophobicContact CG-CG2 3.84Å
89	F	85.5	Confident	93.8	Very high	12 Å²	12	34.2 Å²	34.2	5%	0.053	22%	0.219	C	C	.	.	S	Bend	trans	-100.2	-15.8	177.7	62.6	-100.1	0	0	0	114.3	I62 A87 Y176	I62-F89 HydrophobicContact CD1-CD1 4.36Å; I62-F89 HydrophobicContact CD1-CE1 3.67Å; I62-F89 HydrophobicContact CD1-CE2 3.93Å; I62-F89 HydrophobicContact CD1-CZ 3.43Å; I62-F89 VanDerWaalsContact CD1-CZ 3.43Å; I62-F89 HydrophobicContact CG1-CD1 4.46Å; I62-F89 HydrophobicContact CG1-CE1 4.25Å; I62-F89 HydrophobicContact CG1-CE2 4.36Å; I62-F89 HydrophobicContact CG1-CZ 4.21Å; A87-F89 PolarHBondContact O-N 3.23Å; F89-Y176 AromaticContact CD1-CD2 3.93Å; F89-Y176 HydrophobicContact CD1-CD2 3.93Å; F89-Y176 AromaticContact CD1-CE2 3.82Å; F89-Y176 HydrophobicContact CD1-CE2 3.82Å; F89-Y176 AromaticContact CE1-CD2 3.21Å; F89-Y176 HydrophobicContact CE1-CD2 3.21Å; F89-Y176 AromaticContact CE1-CE2 3.6Å; F89-Y176 HydrophobicContact CE1-CE2 3.6Å; F89-Y176 AromaticContact CE1-CG 3.98Å; F89-Y176 HydrophobicContact CE1-CG 3.98Å; F89-Y176 HydrophobicContact CE2-CD2 4.24Å; F89-Y176 HydrophobicContact CE2-CE2 4.47Å; F89-Y176 HydrophobicContact CE2-CG 4.37Å; F89-Y176 HydrophobicContact CG-CE2 4.35Å; F89-Y176 HydrophobicContact CZ-CD1 4.47Å; F89-Y176 AromaticContact CZ-CD2 3.39Å; F89-Y176 HydrophobicContact CZ-CD2 3.39Å; F89-Y176 AromaticContact CZ-CE2 3.95Å; F89-Y176 HydrophobicContact CZ-CE2 3.95Å; F89-Y176 AromaticContact CZ-CG 3.65Å; F89-Y176 HydrophobicContact CZ-CG 3.65Å
90	Y	84.8	Confident	93.8	Very high	15 Å²	15	35 Å²	35	6%	0.059	22%	0.223	C	C	.	.	S	Bend	trans	-121.3	-51.8	-176.7	-177.4	-92	0	0	0	114.1	D33 Y176 F181 K503 Y504	D33-Y90 HydrophobicContact CB-CE2 4.02Å; Y90-Y176 HydrophobicContact CD1-CE1 4.46Å; Y90-Y176 PolarHBondContact N-OH 3.34Å; Y90-F181 HydrophobicContact CD1-CB 3.8Å; Y90-F181 AromaticContact CD1-CD1 3.74Å; Y90-F181 HydrophobicContact CD1-CD1 3.74Å; Y90-F181 HydrophobicContact CD1-CD2 4.24Å; Y90-F181 HydrophobicContact CD1-CE1 4.4Å; Y90-F181 AromaticContact CD1-CG 3.66Å; Y90-F181 HydrophobicContact CD1-CG 3.66Å; Y90-F181 HydrophobicContact CD2-CD2 4.47Å; Y90-F181 HydrophobicContact CD2-CE2 4.44Å; Y90-F181 HydrophobicContact CE1-CB 3.46Å; Y90-F181 VanDerWaalsContact CE1-CB 3.46Å; Y90-F181 HydrophobicContact CE1-CD1 4.16Å; Y90-F181 AromaticContact CE1-CD2 3.91Å; Y90-F181 HydrophobicContact CE1-CD2 3.91Å; Y90-F181 AromaticContact CE1-CG 3.58Å; Y90-F181 HydrophobicContact CE1-CG 3.58Å; Y90-F181 HydrophobicContact CE2-CD2 4.13Å; Y90-F181 HydrophobicContact CE2-CE2 4.31Å; Y90-F181 HydrophobicContact CG-CD1 4.02Å; Y90-F181 HydrophobicContact CG-CE1 4.22Å; Y90-F181 HydrophobicContact CG-CG 4.19Å; Y90-F181 AromaticContact CZ-CD2 3.85Å; Y90-K503 HydrophobicContact CE1-CD 4.24Å; Y90-K503 HydrophobicContact CE2-CD 4.17Å; Y90-K503 HydrophobicContact CE2-CG 4.37Å; Y90-K503 PolarHBondContact O-NZ 2.76Å; Y90-K503 VanDerWaalsContact OH-CB 3.29Å; Y90-K503 WeakPolarHBondContact OH-CB 3.44Å; Y90-K503 WeakPolarHBondContact OH-CG 3.16Å; Y90-Y504 WeakPolarHBondContact OH-CB 3.28Å; Y90-Y504 PolarHBondContact OH-N 2.75Å
91	G	87.1	Confident	93.7	Very high	21 Å²	21	35 Å²	35	22%	0.216	22%	0.222	C	C	.	.	S	Bend	trans	-161.4	-169.1	-174.2	0	0	0	0	0	113.1	P88 V93 Y176	P88-G91 WeakPolarHBondContact CB-O 3.26Å; G91-V93 PolarHBondContact O-N 2.92Å; G91-Y176 PolarHBondContact N-OH 2.83Å; G91-Y176 PolarHBondContact O-OH 2.85Å
92	P	92.5	Very high	93.5	Very high	112 Å²	112	34.3 Å²	34.3	73%	0.727	22%	0.217	S	C	*	.	P	Polyproline II helix	trans	-59.6	123.8	173	-21.3	33.8	0	0	0	110.6	S178	P92-S178 VanDerWaalsContact O-CB 3.31Å; P92-S178 WeakPolarHBondContact O-CB 3.38Å; P92-S178 PolarHBondContact O-OG 3.28Å
93	V	95.8	Very high	93.2	Very high	34 Å²	34	34.5 Å²	34.5	21%	0.206	22%	0.218	C	C	.	.	P	Polyproline II helix	trans	-84.1	132.8	-179.9	-176.4	0	0	0	0	109.7	Y69 Y84 P88 G91 S95 Y176	Y69-V93 HydrophobicContact CE1-CG1 4.38Å; Y69-V93 WeakPolarHBondContact OH-CG1 3.3Å; Y84-V93 HydrophobicContact CD1-CB 4.37Å; Y84-V93 HydrophobicContact CD1-CG1 4.04Å; Y84-V93 HydrophobicContact CD1-CG2 4.09Å; Y84-V93 HydrophobicContact CD2-CG1 3.66Å; Y84-V93 HydrophobicContact CE1-CG2 3.91Å; Y84-V93 HydrophobicContact CE2-CG1 4.18Å; Y84-V93 HydrophobicContact CE2-CG2 4.32Å; Y84-V93 HydrophobicContact CG-CB 4.35Å; Y84-V93 HydrophobicContact CG-CG1 3.55Å; Y84-V93 HydrophobicContact CG-CG2 4.36Å; P88-V93 HydrophobicContact CB-CG2 3.77Å; P88-V93 HydrophobicContact CG-CG2 3.84Å; G91-V93 PolarHBondContact O-N 2.92Å; V93-S95 PolarHBondContact O-N 2.96Å; V93-Y176 HydrophobicContact CG2-CE1 4.45Å; V93-Y176 HydrophobicContact CG2-CE2 3.59Å; V93-Y176 WeakPolarHBondContact CG2-OH 3.35Å
94	V	96.9	Very high	92.9	Very high	19 Å²	19	29.6 Å²	29.6	12%	0.115	20%	0.197	C	C	.	.	P	Polyproline II helix	trans	-76.1	117.4	168.9	178.2	0	0	0	0	108.5	Y69 I97 D115 V177	Y69-V94 WeakPolarHBondContact CE1-O 3.36Å; Y69-V94 PolarHBondContact OH-O 2.81Å; V94-I97 HydrophobicContact CB-CG2 4.18Å; V94-I97 HydrophobicContact CG1-CG2 3.82Å; V94-I97 WeakPolarHBondContact O-CG2 3.39Å; V94-D115 HydrophobicContact CG1-CB 3.74Å; V94-D115 VanDerWaalsContact CG1-CG 3.41Å; V94-D115 WeakPolarHBondContact CG1-OD2 3.26Å; V94-V177 HydrophobicContact CB-CB 4.42Å; V94-V177 HydrophobicContact CB-CG1 4.04Å; V94-V177 HydrophobicContact CG2-CG1 4.2Å; V94-V177 PolarHBondContact N-O 2.73Å
95	S	96.6	Very high	92.5	Very high	53 Å²	53	32 Å²	32	37%	0.371	21%	0.209	S	C	.	.			trans	-151.7	127.6	176	-178.3	0	0	0	0	109.3	Y84 V93	Y84-S95 PolarHBondContact N-OG 3.38Å; Y84-S95 VanDerWaalsContact N-OG 3.13Å; V93-S95 PolarHBondContact O-N 2.96Å
96	P	97.4	Very high	92.1	Very high	25 Å²	25	32.1 Å²	32.1	16%	0.162	22%	0.22	C	C	.	.	S	Bend	cis	-78.2	154.5	7.1	30	-32.4	0	0	0	114.3	L82 A116 E117	L82-P96 VanDerWaalsContact O-CA 3.28Å; L82-P96 WeakPolarHBondContact O-CA 3.31Å; P96-A116 HydrophobicContact CB-CB 4.24Å; P96-A116 HydrophobicContact CG-CB 4.1Å; P96-A116 WeakPolarHBondContact O-CB 2.9Å; P96-A116 PolarHBondContact O-N 2.81Å; P96-E117 HydrophobicContact CG-CG 4.21Å
97	I	98	Very high	92.4	Very high	0 Å²	0	32 Å²	32	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	154	164.9	59.1	176.6	0	0	0	109.8	Y69 T81 L82 V94 I113 S114 L175 V177	Y69-I97 HydrophobicContact CD1-CD1 3.45Å; Y69-I97 VanDerWaalsContact CD1-CD1 3.45Å; Y69-I97 HydrophobicContact CD1-CG1 3.64Å; Y69-I97 HydrophobicContact CD2-CD1 3.82Å; Y69-I97 HydrophobicContact CE1-CB 4.41Å; Y69-I97 HydrophobicContact CE1-CD1 3.37Å; Y69-I97 HydrophobicContact CE1-CG1 3.52Å; Y69-I97 HydrophobicContact CE1-CG2 4.13Å; Y69-I97 HydrophobicContact CE2-CD1 3.72Å; Y69-I97 HydrophobicContact CG-CD1 3.67Å; Y69-I97 HydrophobicContact CG-CG1 4.32Å; Y69-I97 VanDerWaalsContact CZ-CD1 3.5Å; T81-I97 CarbonylContact C-O 3.59Å; T81-I97 VanDerWaalsContact CA-O 3.28Å; T81-I97 WeakPolarHBondContact CA-O 3.33Å; L82-I97 HydrophobicContact CB-CD1 4.33Å; L82-I97 HydrophobicContact CB-CG1 3.73Å; L82-I97 HydrophobicContact CD1-CD1 3.83Å; L82-I97 HydrophobicContact CD1-CG1 3.93Å; L82-I97 HydrophobicContact CG-CG1 4.15Å; L82-I97 PolarHBondContact N-O 3.37Å; L82-I97 PolarHBondContact O-N 2.79Å; V94-I97 HydrophobicContact CB-CG2 4.18Å; V94-I97 HydrophobicContact CG1-CG2 3.82Å; V94-I97 WeakPolarHBondContact O-CG2 3.39Å; I97-I113 HydrophobicContact CB-CG2 4.45Å; I97-I113 HydrophobicContact CD1-CG2 3.68Å; I97-I113 HydrophobicContact CG1-CG2 4.4Å; I97-S114 CarbonylContact C-O 3.23Å; I97-S114 VanDerWaalsContact CA-O 3.3Å; I97-S114 WeakPolarHBondContact CA-O 3.45Å; I97-S114 VanDerWaalsContact CB-O 3.27Å; I97-S114 WeakPolarHBondContact CB-O 3.2Å; I97-L175 HydrophobicContact CD1-CD2 4.31Å; I97-V177 HydrophobicContact CD1-CG2 3.97Å; I97-V177 HydrophobicContact CG2-CB 4.1Å; I97-V177 HydrophobicContact CG2-CG1 4.2Å; I97-V177 HydrophobicContact CG2-CG2 4.24Å
98	A	98.2	Very high	92.8	Very high	28 Å²	28	30.4 Å²	30.4	23%	0.231	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	145	177.3	0	0	0	0	0	110.9	G80 I113 S114 A116	G80-A98 WeakPolarHBondContact O-CA 3.24Å; A98-I113 WeakPolarHBondContact O-CA 3.21Å; A98-S114 PolarHBondContact N-O 2.84Å; A98-S114 PolarHBondContact O-N 3.46Å; A98-S114 VanDerWaalsContact O-N 3.09Å; A98-A116 HydrophobicContact CB-CB 4.03Å
99	Y	97.7	Very high	93.1	Very high	4 Å²	4	27 Å²	27	2%	0.016	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	145.2	168.6	73.3	-88.1	0	0	0	111.4	V71 T78 T79 G80 L82 T112 L148 F153	V71-Y99 HydrophobicContact CG2-CE1 4.38Å; T78-Y99 WeakPolarHBondContact O-CE2 3.28Å; T79-Y99 VanDerWaalsContact C-CZ 3.49Å; T79-Y99 WeakPolarHBondContact CA-O 3.44Å; G80-Y99 VanDerWaalsContact C-CE1 3.42Å; G80-Y99 VanDerWaalsContact N-CZ 3.32Å; G80-Y99 PolarHBondContact N-O 2.93Å; G80-Y99 VanDerWaalsContact N-O 3.16Å; G80-Y99 VanDerWaalsContact O-CD1 3.28Å; G80-Y99 WeakPolarHBondContact O-CD1 3.44Å; G80-Y99 PolarHBondContact O-N 3.07Å; L82-Y99 HydrophobicContact CD1-CD1 4.28Å; L82-Y99 HydrophobicContact CD2-CD1 3.44Å; L82-Y99 VanDerWaalsContact CD2-CD1 3.44Å; L82-Y99 HydrophobicContact CD2-CE1 3.62Å; L82-Y99 HydrophobicContact CG-CD1 3.77Å; L82-Y99 HydrophobicContact CG-CE1 4.39Å; Y99-T112 VanDerWaalsContact CA-O 3.3Å; Y99-T112 WeakPolarHBondContact CA-O 3.21Å; Y99-L148 HydrophobicContact CE2-CD1 3.72Å; Y99-L148 HydrophobicContact CE2-CD2 4.28Å; Y99-F153 AromaticContact CD1-CE2 3.84Å; Y99-F153 HydrophobicContact CD1-CE2 3.84Å; Y99-F153 AromaticContact CD1-CZ 3.82Å; Y99-F153 HydrophobicContact CD1-CZ 3.82Å; Y99-F153 AromaticContact CD2-CE2 4Å; Y99-F153 HydrophobicContact CD2-CE2 4Å; Y99-F153 AromaticContact CD2-CZ 3.69Å; Y99-F153 HydrophobicContact CD2-CZ 3.69Å; Y99-F153 AromaticContact CE1-CE2 3.95Å; Y99-F153 HydrophobicContact CE1-CE2 3.95Å; Y99-F153 HydrophobicContact CE1-CZ 4.37Å; Y99-F153 HydrophobicContact CE2-CE2 4.12Å; Y99-F153 HydrophobicContact CE2-CZ 4.27Å; Y99-F153 HydrophobicContact CG-CE1 4.26Å; Y99-F153 AromaticContact CG-CE2 3.85Å; Y99-F153 HydrophobicContact CG-CE2 3.85Å; Y99-F153 AromaticContact CG-CZ 3.43Å; Y99-F153 HydrophobicContact CG-CZ 3.43Å; Y99-F153 VanDerWaalsContact CG-CZ 3.43Å
100	D	96.1	Very high	93.6	Very high	34 Å²	34	28 Å²	28	18%	0.182	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	119.6	169.7	179.7	11.2	0	0	0	109.3	T79 H102 F111 T112 R135	T79-D100 HydrophobicContact CG2-CB 3.87Å; T79-D100 WeakPolarHBondContact CG2-OD1 3.5Å; D100-H102 IonicContact OD1-CE1 3.72Å; D100-H102 IonicContact OD1-CG 3.14Å; D100-H102 IonicContact OD1-ND1 3.73Å; D100-H102 PolarHBondContact OD1-ND1 2.88Å; D100-H102 IonicContact OD2-CE1 3.45Å; D100-H102 PolarHBondContact OD2-CE1 2.77Å; D100-H102 IonicContact OD2-ND1 3.38Å; D100-H102 PolarHBondContact OD2-ND1 2.85Å; D100-F111 CarbonylContact O-C 3.49Å; D100-F111 WeakPolarHBondContact O-CA 3.4Å; D100-T112 PolarHBondContact N-O 2.81Å; D100-T112 VanDerWaalsContact N-O 3.08Å; D100-T112 PolarHBondContact O-N 2.86Å; D100-R135 IonicContact OD1-CZ 3.39Å; D100-R135 IonicContact OD1-NE 3.31Å; D100-R135 IonicContact OD1-NH2 4Å; D100-R135 PolarHBondContact OD1-NH2 3.31Å; D100-R135 IonicContact OD2-NE 3.76Å; D100-R135 PolarHBondContact OD2-NE 3.05Å; D100-R135 IonicContact OD2-NH2 2.91Å
101	I	96	Very high	94.2	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	132.8	169	178.1	166.5	0	0	0	110.4	T78 R110 F111 I146 L148 V155 I157	T78-I101 WeakPolarHBondContact CB-O 3.5Å; T78-I101 PolarHBondContact O-N 2.86Å; T78-I101 VanDerWaalsContact O-N 3.1Å; T78-I101 PolarHBondContact OG1-O 2.84Å; I101-R110 CarbonylContact C-O 3.59Å; I101-R110 VanDerWaalsContact CA-O 3.26Å; I101-R110 WeakPolarHBondContact CA-O 3.39Å; I101-F111 HydrophobicContact CB-CB 4.21Å; I101-F111 HydrophobicContact CB-CD2 3.91Å; I101-F111 HydrophobicContact CB-CG 4.39Å; I101-F111 HydrophobicContact CD1-CB 4.23Å; I101-F111 HydrophobicContact CG1-CB 4.2Å; I101-I146 HydrophobicContact CD1-CD1 4.21Å; I101-I146 HydrophobicContact CD1-CG1 4.32Å; I101-I146 HydrophobicContact CD1-CG2 3.83Å; I101-I146 HydrophobicContact CG1-CD1 4.23Å; I101-I146 HydrophobicContact CG1-CG2 4.46Å; I101-I146 HydrophobicContact CG2-CG2 4.18Å; I101-L148 HydrophobicContact CG2-CD2 3.92Å; I101-V155 HydrophobicContact CD1-CG1 3.38Å; I101-I157 HydrophobicContact CD1-CD1 3.78Å; I101-I157 HydrophobicContact CD1-CG1 4.15Å
102	H	93.5	Very high	94.7	Very high	11 Å²	11	26.9 Å²	26.9	5%	0.051	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.9	154	174.5	51.3	-87.7	0	0	0	111.1	D100 V104 F109 R110 R135	D100-H102 IonicContact OD1-CE1 3.72Å; D100-H102 IonicContact OD1-CG 3.14Å; D100-H102 IonicContact OD1-ND1 3.73Å; D100-H102 PolarHBondContact OD1-ND1 2.88Å; D100-H102 IonicContact OD2-CE1 3.45Å; D100-H102 PolarHBondContact OD2-CE1 2.77Å; D100-H102 IonicContact OD2-ND1 3.38Å; D100-H102 PolarHBondContact OD2-ND1 2.85Å; H102-V104 PolarHBondContact O-N 2.9Å; H102-F109 WeakPolarHBondContact O-CA 3.39Å; H102-R110 PolarHBondContact N-O 2.85Å; H102-R110 PolarHBondContact O-N 3.49Å; H102-R135 HydrophobicContact CB-CG 4.18Å
103	P	92.5	Very high	95	Very high	5 Å²	5	21.7 Å²	21.7	3%	0.032	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	130	163	29.3	-33.4	0	0	0	109.6	I108 F109 E136 V138 T141	P103-I108 CarbonylContact C-O 3.54Å; P103-I108 WeakPolarHBondContact CA-O 3.41Å; P103-F109 HydrophobicContact CB-CD1 4.07Å; P103-F109 HydrophobicContact CB-CE1 3.98Å; P103-E136 WeakPolarHBondContact CD-O 3.42Å; P103-E136 HydrophobicContact CG-CB 4.18Å; P103-V138 HydrophobicContact CG-CG2 3.71Å; P103-T141 HydrophobicContact CB-CG2 3.91Å; P103-T141 HydrophobicContact CG-CG2 4.03Å
104	V	90.3	Very high	95	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	-37.6	166.8	172.5	0	0	0	0	109.7	H102 I108 R110 V132 S134 I296	H102-V104 PolarHBondContact O-N 2.9Å; V104-I108 PolarHBondContact N-O 2.84Å; V104-R110 HydrophobicContact CG2-CB 3.66Å; V104-V132 HydrophobicContact CB-CG1 4.49Å; V104-V132 HydrophobicContact CG1-CB 4.06Å; V104-V132 HydrophobicContact CG1-CG1 3.82Å; V104-V132 HydrophobicContact CG1-CG2 4.03Å; V104-V132 HydrophobicContact CG2-CG1 4.1Å; V104-V132 HydrophobicContact CG2-CG2 4.39Å; V104-S134 PolarHBondContact O-OG 3.19Å; V104-I296 HydrophobicContact CG1-CD1 4.25Å
105	E	88.3	Confident	95.1	Very high	75 Å²	75	20.8 Å²	20.8	35%	0.35	13%	0.126	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	172.6	169.4	-65.9	-177.5	-148.4	0	0	109.1	N107 I108	E105-N107 PolarHBondContact O-N 3.23Å; E105-I108 HydrophobicContact CB-CB 4.17Å; E105-I108 HydrophobicContact CB-CD1 4.29Å; E105-I108 HydrophobicContact CB-CG1 4.22Å; E105-I108 HydrophobicContact CG-CD1 4.42Å; E105-I108 PolarHBondContact N-O 3.08Å; E105-I108 PolarHBondContact O-N 2.88Å; E105-I108 VanDerWaalsContact O-N 3.14Å; E105-I108 VanDerWaalsContact O-O 3.06Å
106	A	84.4	Confident	95.1	Very high	65 Å²	65	20.4 Å²	20.4	54%	0.537	13%	0.126	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.1	-32.5	-175.1	0	0	0	0	0	114.6	T141 C143	A106-T141 PolarHBondContact O-OG1 3.1Å; A106-C143 PolarHBondContact O-SG 3.04Å
107	N	92.8	Very high	95	Very high	54 Å²	54	25.7 Å²	25.7	29%	0.289	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-122.9	14	-176.4	-64.8	-16	0	0	0	113.1	E105 C143 A282	E105-N107 PolarHBondContact O-N 3.23Å; N107-C143 WeakPolarHBondContact OD1-CB 3.47Å; N107-C143 PolarHBondContact OD1-SG 2.92Å; N107-A282 HydrophobicContact CB-CB 4.17Å; N107-A282 VanDerWaalsContact O-CB 3.31Å; N107-A282 WeakPolarHBondContact O-CB 3.4Å; N107-A282 PolarHBondContact O-N 3.04Å
108	I	95.2	Very high	94.9	Very high	1 Å²	1	31.6 Å²	31.6	1%	0.005	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	123.5	-178.7	-51.9	179.8	0	0	0	108.4	P103 V104 E105 I280 F281 Q292 I296	P103-I108 CarbonylContact C-O 3.54Å; P103-I108 WeakPolarHBondContact CA-O 3.41Å; V104-I108 PolarHBondContact N-O 2.84Å; E105-I108 HydrophobicContact CB-CB 4.17Å; E105-I108 HydrophobicContact CB-CD1 4.29Å; E105-I108 HydrophobicContact CB-CG1 4.22Å; E105-I108 HydrophobicContact CG-CD1 4.42Å; E105-I108 PolarHBondContact N-O 3.08Å; E105-I108 PolarHBondContact O-N 2.88Å; E105-I108 VanDerWaalsContact O-N 3.14Å; E105-I108 VanDerWaalsContact O-O 3.06Å; I108-I280 WeakPolarHBondContact CA-O 3.41Å; I108-F281 HydrophobicContact CD1-CD1 4.23Å; I108-F281 HydrophobicContact CD1-CE1 4.48Å; I108-F281 HydrophobicContact CG1-CD1 4.13Å; I108-F281 HydrophobicContact CG2-CD1 3.81Å; I108-F281 HydrophobicContact CG2-CE1 3.87Å; I108-Q292 HydrophobicContact CD1-CB 3.93Å; I108-Q292 HydrophobicContact CD1-CG 4.13Å; I108-Q292 HydrophobicContact CG1-CB 4.24Å; I108-Q292 HydrophobicContact CG1-CG 4.23Å; I108-I296 HydrophobicContact CD1-CD1 3.97Å; I108-I296 HydrophobicContact CD1-CG1 3.9Å; I108-I296 HydrophobicContact CG2-CD1 4.2Å; I108-I296 HydrophobicContact CG2-CG1 4.04Å
109	F	96	Very high	94.7	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	140.9	-178.5	-54.6	-90.5	0	0	0	109.8	H102 P103 T141 C144 I146 I157 F279 I280 A282	H102-F109 WeakPolarHBondContact O-CA 3.39Å; P103-F109 HydrophobicContact CB-CD1 4.07Å; P103-F109 HydrophobicContact CB-CE1 3.98Å; F109-T141 HydrophobicContact CE1-CG2 3.74Å; F109-T141 HydrophobicContact CZ-CG2 3.99Å; F109-C144 HydrophobicContact CE2-CB 3.98Å; F109-C144 HydrophobicContact CZ-CB 3.58Å; F109-I146 HydrophobicContact CD1-CD1 3.84Å; F109-I146 HydrophobicContact CD1-CG1 4.38Å; F109-I146 HydrophobicContact CE1-CD1 3.95Å; F109-I146 HydrophobicContact CE1-CG1 4.33Å; F109-I157 HydrophobicContact CB-CD1 4.11Å; F109-I157 HydrophobicContact CD2-CD1 4.4Å; F109-I157 HydrophobicContact CD2-CG2 4.45Å; F109-I157 HydrophobicContact CE2-CG2 4.37Å; F109-I157 HydrophobicContact CG-CD1 4.17Å; F109-F279 CarbonylContact O-C 3.22Å; F109-F279 VanDerWaalsContact O-CA 3.29Å; F109-F279 WeakPolarHBondContact O-CA 3.42Å; F109-I280 HydrophobicContact CB-CB 4.29Å; F109-I280 HydrophobicContact CB-CD1 4.39Å; F109-I280 PolarHBondContact N-O 3.04Å; F109-I280 PolarHBondContact O-N 3.03Å; F109-A282 HydrophobicContact CE2-CB 4.3Å
110	R	95.9	Very high	94.6	Very high	33 Å²	33	41 Å²	41	13%	0.125	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	131.2	168.8	-170.3	179.7	-175.1	173.9	4.3	108.8	I101 H102 V104 T112 D277 F278 F279	I101-R110 CarbonylContact C-O 3.59Å; I101-R110 VanDerWaalsContact CA-O 3.26Å; I101-R110 WeakPolarHBondContact CA-O 3.39Å; H102-R110 PolarHBondContact N-O 2.85Å; H102-R110 PolarHBondContact O-N 3.49Å; V104-R110 HydrophobicContact CG2-CB 3.66Å; R110-T112 HydrophobicContact CG-CG2 4.19Å; R110-D277 IonicContact CZ-OD1 3.97Å; R110-D277 IonicContact CZ-OD2 3.68Å; R110-D277 IonicContact NE-OD1 2.79Å; R110-D277 PolarHBondContact NE-OD1 3.1Å; R110-D277 IonicContact NE-OD2 3.45Å; R110-D277 IonicContact NH2-OD1 2.75Å; R110-D277 IonicContact NH2-OD2 3.66Å; R110-D277 PolarHBondContact NH2-OD2 3.27Å; R110-F278 CarbonylContact C-O 3.58Å; R110-F278 VanDerWaalsContact CA-O 3.26Å; R110-F278 WeakPolarHBondContact CA-O 3.42Å; R110-F279 HydrophobicContact CB-CD1 4.34Å; R110-F279 HydrophobicContact CB-CE1 4.18Å; R110-F279 HydrophobicContact CG-CD1 4.36Å; R110-F279 HydrophobicContact CG-CE1 3.97Å; R110-F279 HydrophobicContact CG-CE2 4.27Å; R110-F279 HydrophobicContact CG-CZ 3.91Å
111	F	97.1	Very high	94.6	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	115.5	177.9	170.3	-136.9	0	0	0	110	D100 I101 I113 F153 V155 F167 F278 I280	D100-F111 CarbonylContact O-C 3.49Å; D100-F111 WeakPolarHBondContact O-CA 3.4Å; I101-F111 HydrophobicContact CB-CB 4.21Å; I101-F111 HydrophobicContact CB-CD2 3.91Å; I101-F111 HydrophobicContact CB-CG 4.39Å; I101-F111 HydrophobicContact CD1-CB 4.23Å; I101-F111 HydrophobicContact CG1-CB 4.2Å; F111-I113 HydrophobicContact CE1-CD1 4.16Å; F111-I113 HydrophobicContact CE1-CG1 4.35Å; F111-I113 HydrophobicContact CE2-CD1 4.27Å; F111-I113 HydrophobicContact CE2-CG1 3.83Å; F111-I113 HydrophobicContact CZ-CD1 3.59Å; F111-I113 HydrophobicContact CZ-CG1 3.65Å; F111-F153 HydrophobicContact CE2-CE1 4.23Å; F111-F153 HydrophobicContact CE2-CZ 4.29Å; F111-F153 AromaticContact CZ-CE1 3.94Å; F111-F153 HydrophobicContact CZ-CE1 3.94Å; F111-F153 HydrophobicContact CZ-CZ 4.37Å; F111-V155 HydrophobicContact CD1-CG2 4.45Å; F111-V155 HydrophobicContact CD2-CG2 4.09Å; F111-V155 HydrophobicContact CE1-CB 4.19Å; F111-V155 HydrophobicContact CE1-CG2 3.99Å; F111-V155 HydrophobicContact CE2-CG2 3.58Å; F111-V155 HydrophobicContact CG-CG2 4.49Å; F111-V155 HydrophobicContact CZ-CB 4.19Å; F111-V155 HydrophobicContact CZ-CG2 3.49Å; F111-V155 VanDerWaalsContact CZ-CG2 3.49Å; F111-F167 AromaticContact CD1-CE1 3.87Å; F111-F167 HydrophobicContact CD1-CE1 3.87Å; F111-F167 AromaticContact CD1-CZ 3.91Å; F111-F167 HydrophobicContact CD1-CZ 3.91Å; F111-F167 AromaticContact CE1-CE1 3.95Å; F111-F167 HydrophobicContact CE1-CE1 3.95Å; F111-F167 HydrophobicContact CE1-CZ 4.15Å; F111-F278 HydrophobicContact CB-CB 4.31Å; F111-F278 AromaticContact CD1-CD2 3.9Å; F111-F278 HydrophobicContact CD1-CD2 3.9Å; F111-F278 HydrophobicContact CE1-CD2 4.39Å; F111-F278 PolarHBondContact N-O 2.89Å; F111-F278 PolarHBondContact O-N 2.66Å; F111-I280 HydrophobicContact CB-CD1 4.07Å
112	T	97.4	Very high	94.5	Very high	11 Å²	11	46.7 Å²	46.7	7%	0.067	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	143.9	-178.4	67.1	0	0	0	0	112.3	Y99 D100 R110 L276 D277	Y99-T112 VanDerWaalsContact CA-O 3.3Å; Y99-T112 WeakPolarHBondContact CA-O 3.21Å; D100-T112 PolarHBondContact N-O 2.81Å; D100-T112 VanDerWaalsContact N-O 3.08Å; D100-T112 PolarHBondContact O-N 2.86Å; R110-T112 HydrophobicContact CG-CG2 4.19Å; T112-L276 CarbonylContact C-O 3.02Å; T112-L276 WeakPolarHBondContact CA-O 3.31Å; T112-D277 HydrophobicContact CG2-CB 4.4Å; T112-D277 VanDerWaalsContact CG2-OD1 3.31Å; T112-D277 WeakPolarHBondContact CG2-OD1 3.49Å
113	I	98.2	Very high	94.7	Very high	3 Å²	3	46.7 Å²	46.7	2%	0.015	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	124.2	165.9	-55.6	179.4	0	0	0	108.6	I97 A98 F111 F153 L175 V177 I275 L276	I97-I113 HydrophobicContact CB-CG2 4.45Å; I97-I113 HydrophobicContact CD1-CG2 3.68Å; I97-I113 HydrophobicContact CG1-CG2 4.4Å; A98-I113 WeakPolarHBondContact O-CA 3.21Å; F111-I113 HydrophobicContact CE1-CD1 4.16Å; F111-I113 HydrophobicContact CE1-CG1 4.35Å; F111-I113 HydrophobicContact CE2-CD1 4.27Å; F111-I113 HydrophobicContact CE2-CG1 3.83Å; F111-I113 HydrophobicContact CZ-CD1 3.59Å; F111-I113 HydrophobicContact CZ-CG1 3.65Å; I113-F153 HydrophobicContact CD1-CE1 4.37Å; I113-L175 HydrophobicContact CD1-CD1 3.61Å; I113-L175 HydrophobicContact CD1-CD2 3.86Å; I113-L175 HydrophobicContact CD1-CG 4.42Å; I113-V177 HydrophobicContact CG2-CG2 4.31Å; I113-I275 WeakPolarHBondContact O-CB 3.4Å; I113-L276 HydrophobicContact CB-CB 4.14Å; I113-L276 HydrophobicContact CB-CD1 4.28Å; I113-L276 HydrophobicContact CD1-CD1 4.08Å; I113-L276 PolarHBondContact N-O 2.63Å; I113-L276 PolarHBondContact O-N 3.13Å; I113-L276 VanDerWaalsContact O-N 3.14Å
114	S	97.5	Very high	94.7	Very high	16 Å²	16	47.6 Å²	47.6	11%	0.112	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	168.6	177.8	70.3	0	0	0	0	112.4	I97 A98 A116 I275	I97-S114 CarbonylContact C-O 3.23Å; I97-S114 VanDerWaalsContact CA-O 3.3Å; I97-S114 WeakPolarHBondContact CA-O 3.45Å; I97-S114 VanDerWaalsContact CB-O 3.27Å; I97-S114 WeakPolarHBondContact CB-O 3.2Å; A98-S114 PolarHBondContact N-O 2.84Å; A98-S114 PolarHBondContact O-N 3.46Å; A98-S114 VanDerWaalsContact O-N 3.09Å; S114-A116 PolarHBondContact O-N 2.91Å; S114-I275 VanDerWaalsContact CB-CG2 3.46Å
115	D	97.7	Very high	94.6	Very high	19 Å²	19	52.6 Å²	52.6	10%	0.102	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.3	135.5	165.2	-173.7	-31.3	0	0	0	109.4	V94 E117 H118 R120	V94-D115 HydrophobicContact CG1-CB 3.74Å; V94-D115 VanDerWaalsContact CG1-CG 3.41Å; V94-D115 WeakPolarHBondContact CG1-OD2 3.26Å; D115-E117 WeakPolarHBondContact OD1-CA 3.42Å; D115-E117 PolarHBondContact OD1-N 2.86Å; D115-H118 WeakPolarHBondContact CB-O 3.32Å; D115-H118 PolarHBondContact OD1-N 3.34Å; D115-H118 IonicContact OD1-ND1 2.68Å; D115-H118 WeakPolarHBondContact OD2-CB 3.49Å; D115-H118 IonicContact OD2-CG 3.76Å; D115-H118 IonicContact OD2-ND1 2.75Å; D115-H118 PolarHBondContact OD2-ND1 2.77Å; D115-R120 HydrophobicContact CB-CG 3.86Å
116	A	96.9	Very high	94.7	Very high	44 Å²	44	54.4 Å²	54.4	36%	0.364	27%	0.273	S	S	.	.	S	Bend	trans	-85.8	-20.3	-178.6	0	0	0	0	0	113.2	T81 P96 A98 S114	T81-A116 HydrophobicContact CG2-CB 4.42Å; P96-A116 HydrophobicContact CB-CB 4.24Å; P96-A116 HydrophobicContact CG-CB 4.1Å; P96-A116 WeakPolarHBondContact O-CB 2.9Å; P96-A116 PolarHBondContact O-N 2.81Å; A98-A116 HydrophobicContact CB-CB 4.03Å; S114-A116 PolarHBondContact O-N 2.91Å
117	E	96.2	Very high	95	Very high	137 Å²	137	51.6 Å²	51.6	64%	0.64	25%	0.249	S	C	*	.	S	Bend	trans	-108.8	-30.6	-173.8	-60.7	-173	155.4	0	0	112.2	P96 D115	P96-E117 HydrophobicContact CG-CG 4.21Å; D115-E117 WeakPolarHBondContact OD1-CA 3.42Å; D115-E117 PolarHBondContact OD1-N 2.86Å
118	H	95.6	Very high	94.8	Very high	124 Å²	124	49 Å²	49	57%	0.574	24%	0.235	S	C	*	.	S	Bend	trans	-119.5	141.9	-179.3	-50.4	94	0	0	0	112.6	D115 R120	D115-H118 WeakPolarHBondContact CB-O 3.32Å; D115-H118 PolarHBondContact OD1-N 3.34Å; D115-H118 IonicContact OD1-ND1 2.68Å; D115-H118 WeakPolarHBondContact OD2-CB 3.49Å; D115-H118 IonicContact OD2-CG 3.76Å; D115-H118 IonicContact OD2-ND1 2.75Å; D115-H118 PolarHBondContact OD2-ND1 2.77Å; H118-R120 PolarHBondContact O-N 2.67Å
119	Q	94.1	Very high	94.3	Very high	197 Å²	197	51.8 Å²	51.8	92%	0.921	25%	0.253	S	S	*	.	P	Polyproline II helix	trans	-70.8	126.4	172.8	-175.2	176.7	-6.6	0	0	110
120	R	95.1	Very high	93.6	Very high	31 Å²	31	53 Å²	53	12%	0.117	26%	0.26	C	S	.	.	P	Polyproline II helix	trans	-103.5	160.3	170	-54.3	-163.4	95.5	-162.6	19.1	111.2	D115 H118 S178 D179 G274 I275	D115-R120 HydrophobicContact CB-CG 3.86Å; H118-R120 PolarHBondContact O-N 2.67Å; R120-S178 PolarHBondContact NH2-O 2.88Å; R120-D179 IonicContact CZ-OD1 3.56Å; R120-D179 IonicContact NH2-OD1 3.21Å; R120-D179 PolarHBondContact NH2-OD1 2.89Å; R120-G274 PolarHBondContact NH1-O 3.32Å; R120-I275 HydrophobicContact CB-CG2 3.79Å
121	Y	95.3	Very high	92.4	Very high	41 Å²	41	54.4 Å²	54.4	16%	0.161	28%	0.275	C	S	.	.	P	Polyproline II helix	trans	-56.3	140.6	174.8	172.5	-101.8	0	0	0	111.4	S254 G274 N534 L538	Y121-S254 VanDerWaalsContact CE1-OG 3.25Å; Y121-S254 WeakPolarHBondContact CE1-OG 3.19Å; Y121-S254 PolarHBondContact OH-OG 2.88Å; Y121-G274 CarbonylContact O-C 3.56Å; Y121-G274 WeakPolarHBondContact O-CA 3.42Å; Y121-N534 HydrophobicContact CD1-CB 3.71Å; Y121-N534 HydrophobicContact CD2-CB 3.78Å; Y121-N534 HydrophobicContact CE1-CB 3.74Å; Y121-N534 HydrophobicContact CE2-CB 3.81Å; Y121-N534 HydrophobicContact CG-CB 3.73Å; Y121-N534 PolarHBondContact OH-O 3.06Å; Y121-L538 WeakPolarHBondContact OH-CD1 3.46Å
122	R	95.4	Very high	91.2	Very high	113 Å²	113	57.1 Å²	57.1	43%	0.426	29%	0.292	S	S	.	.			trans	-133.9	148.1	170.9	-60.6	-172.6	178.1	-148.5	-5.5	107.2	P124 I275	R122-P124 VanDerWaalsContact O-CD 3.3Å; R122-P124 WeakPolarHBondContact O-CD 3.23Å; R122-I275 HydrophobicContact CG-CD1 3.79Å; R122-I275 HydrophobicContact CG-CG1 4.04Å; R122-I275 HydrophobicContact CG-CG2 4.49Å
123	V	95.8	Very high	89.7	Confident	11 Å²	11	62.2 Å²	62.2	7%	0.067	32%	0.323	C	S	.	.			trans	-55	122.8	170.1	176.4	0	0	0	0	107.9	D125 V128 M252 L538 F568	V123-D125 PolarHBondContact O-N 2.67Å; V123-V128 HydrophobicContact CG1-CB 4.12Å; V123-V128 HydrophobicContact CG1-CG2 3.82Å; V123-M252 HydrophobicContact CB-CG 4.11Å; V123-M252 HydrophobicContact CB-SD 4.24Å; V123-M252 HydrophobicContact CG1-SD 4.17Å; V123-M252 HydrophobicContact CG2-CG 4.18Å; V123-M252 HydrophobicContact CG2-SD 4.27Å; V123-L538 HydrophobicContact CG1-CD1 4.13Å; V123-L538 HydrophobicContact CG1-CD2 4.12Å; V123-F568 HydrophobicContact CG1-CE1 4.31Å; V123-F568 HydrophobicContact CG2-CE1 4.34Å; V123-F568 HydrophobicContact CG2-CZ 4.39Å
124	P	92.9	Very high	88.3	Confident	24 Å²	24	64.3 Å²	64.3	16%	0.156	34%	0.338	C	S	.	.			trans	-67.1	129.8	-175.3	-22.5	32.4	0	0	0	112.9	R122 F126 L127 V128	R122-P124 VanDerWaalsContact O-CD 3.3Å; R122-P124 WeakPolarHBondContact O-CD 3.23Å; P124-F126 HydrophobicContact CB-CD1 3.5Å; P124-F126 HydrophobicContact CB-CE1 3.25Å; P124-F126 HydrophobicContact CB-CG 4.44Å; P124-F126 HydrophobicContact CB-CZ 4.02Å; P124-F126 HydrophobicContact CG-CE1 4.01Å; P124-F126 HydrophobicContact CG-CZ 4.47Å; P124-F126 PolarHBondContact O-N 3.46Å; P124-F126 VanDerWaalsContact O-N 3.1Å; P124-L127 HydrophobicContact CB-CD1 4.2Å; P124-L127 HydrophobicContact CB-CG 4.43Å; P124-L127 HydrophobicContact CG-CD1 4Å; P124-L127 WeakPolarHBondContact O-CB 3.41Å; P124-L127 PolarHBondContact O-N 2.91Å; P124-V128 PolarHBondContact O-N 2.91Å
125	D	89.3	Confident	87.5	Confident	105 Å²	105	69.5 Å²	69.5	56%	0.561	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	-27.6	-179.6	-64.6	-24.9	0	0	0	113	V123 L127 V128 P129	V123-D125 PolarHBondContact O-N 2.67Å; D125-L127 PolarHBondContact O-N 2.75Å; D125-V128 CarbonylContact O-C 3.53Å; D125-P129 WeakPolarHBondContact O-CA 3.28Å
126	F	89.7	Confident	86.8	Confident	114 Å²	114	73.8 Å²	73.8	50%	0.5	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-17.8	177.8	74.7	-93.6	0	0	0	113.4	P124 K545	P124-F126 HydrophobicContact CB-CD1 3.5Å; P124-F126 HydrophobicContact CB-CE1 3.25Å; P124-F126 HydrophobicContact CB-CG 4.44Å; P124-F126 HydrophobicContact CB-CZ 4.02Å; P124-F126 HydrophobicContact CG-CE1 4.01Å; P124-F126 HydrophobicContact CG-CZ 4.47Å; P124-F126 PolarHBondContact O-N 3.46Å; P124-F126 VanDerWaalsContact O-N 3.1Å; F126-K545 WeakPolarHBondContact O-CE 3.26Å; F126-K545 PolarHBondContact O-NZ 3.39Å
127	L	90.6	Very high	86.5	Confident	5 Å²	5	75.1 Å²	75.1	3%	0.026	38%	0.376	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.4	-50.6	174.1	-67.4	170.8	0	0	0	109.9	P124 D125 P129 T446 F535 L538 H541	P124-L127 HydrophobicContact CB-CD1 4.2Å; P124-L127 HydrophobicContact CB-CG 4.43Å; P124-L127 HydrophobicContact CG-CD1 4Å; P124-L127 WeakPolarHBondContact O-CB 3.41Å; P124-L127 PolarHBondContact O-N 2.91Å; D125-L127 PolarHBondContact O-N 2.75Å; L127-P129 WeakPolarHBondContact O-CD 3.28Å; L127-T446 HydrophobicContact CD1-CG2 4.49Å; L127-F535 HydrophobicContact CD1-CD2 4.46Å; L127-F535 HydrophobicContact CD1-CE2 3.54Å; L127-F535 HydrophobicContact CD1-CZ 4.34Å; L127-L538 HydrophobicContact CD1-CD1 4.18Å; L127-H541 PolarHBondContact O-NE2 3.39Å
128	V	89.8	Confident	86.3	Confident	1 Å²	1	70.8 Å²	70.8	1%	0.006	36%	0.358	C	S	.	.	S	Bend	trans	-116.5	88.7	176.1	-172.5	0	0	0	0	108.4	V123 P124 D125 V130 M252 L538 F568	V123-V128 HydrophobicContact CG1-CB 4.12Å; V123-V128 HydrophobicContact CG1-CG2 3.82Å; P124-V128 PolarHBondContact O-N 2.91Å; D125-V128 CarbonylContact O-C 3.53Å; V128-V130 PolarHBondContact O-N 2.97Å; V128-M252 HydrophobicContact CG1-CE 3.81Å; V128-M252 HydrophobicContact CG1-SD 4.28Å; V128-L538 HydrophobicContact CG2-CD2 4.36Å; V128-F568 HydrophobicContact CG2-CD1 4.11Å; V128-F568 HydrophobicContact CG2-CE1 4.37Å
129	P	84.4	Confident	86.1	Confident	58 Å²	58	67.7 Å²	67.7	38%	0.377	35%	0.348	S	S	.	.			trans	-62.6	105.5	179.4	-21.4	33	0	0	0	110.2	D125 L127 S131 I296	D125-P129 WeakPolarHBondContact O-CA 3.28Å; L127-P129 WeakPolarHBondContact O-CD 3.28Å; P129-S131 PolarHBondContact O-N 3.23Å; P129-I296 VanDerWaalsContact O-O 3.12Å
130	V	80	Confident	86.1	Confident	25 Å²	25	63.4 Å²	63.4	15%	0.152	33%	0.328	C	S	.	.			trans	-82.6	113.7	173.7	-174.1	0	0	0	0	108.1	V128 V132 M252 F279 I296	V128-V130 PolarHBondContact O-N 2.97Å; V130-V132 HydrophobicContact CB-CG2 4.32Å; V130-V132 HydrophobicContact CG1-CG2 3.49Å; V130-V132 VanDerWaalsContact CG1-CG2 3.49Å; V130-V132 PolarHBondContact O-N 3.36Å; V130-M252 HydrophobicContact CG2-CE 4.35Å; V130-F279 HydrophobicContact CG1-CE1 3.64Å; V130-F279 HydrophobicContact CG1-CZ 3.46Å; V130-F279 VanDerWaalsContact CG1-CZ 3.46Å; V130-F279 HydrophobicContact CG2-CZ 4.38Å; V130-I296 HydrophobicContact CG1-CG2 3.73Å
131	S	72.3	Confident	86	Confident	63 Å²	63	62.8 Å²	62.8	44%	0.441	33%	0.328	S	S	.	.			trans	-75.7	85.7	176.7	-65.1	0	0	0	0	110.9	P129 I296	P129-S131 PolarHBondContact O-N 3.23Å; S131-I296 PolarHBondContact N-O 3.03Å
132	V	71	Confident	85.8	Confident	57 Å²	57	68.5 Å²	68.5	35%	0.345	36%	0.361	S	S	.	.			trans	-103.1	104	174.2	-176	0	0	0	0	109.3	V104 V130	V104-V132 HydrophobicContact CB-CG1 4.49Å; V104-V132 HydrophobicContact CG1-CB 4.06Å; V104-V132 HydrophobicContact CG1-CG1 3.82Å; V104-V132 HydrophobicContact CG1-CG2 4.03Å; V104-V132 HydrophobicContact CG2-CG1 4.1Å; V104-V132 HydrophobicContact CG2-CG2 4.39Å; V130-V132 HydrophobicContact CB-CG2 4.32Å; V130-V132 HydrophobicContact CG1-CG2 3.49Å; V130-V132 VanDerWaalsContact CG1-CG2 3.49Å; V130-V132 PolarHBondContact O-N 3.36Å
133	T	65.1	Low	85.7	Confident	118 Å²	118	64.1 Å²	64.1	72%	0.724	35%	0.348	S	S	*	.			trans	-89.7	-23.7	-176.8	50.5	0	0	0	0	114.1
134	S	69.4	Low	85.7	Confident	47 Å²	47	63.6 Å²	63.6	33%	0.329	35%	0.345	S	S	.	.			trans	-152.3	150.3	-172.3	41.9	0	0	0	0	111.4	V104	V104-S134 PolarHBondContact O-OG 3.19Å
135	R	80.9	Confident	85.9	Confident	126 Å²	126	69 Å²	69	48%	0.475	36%	0.362	S	S	.	.			trans	-130.6	116.3	168.4	175.7	173	-178.3	-84.8	-10.2	108	D100 H102	D100-R135 IonicContact OD1-CZ 3.39Å; D100-R135 IonicContact OD1-NE 3.31Å; D100-R135 IonicContact OD1-NH2 4Å; D100-R135 PolarHBondContact OD1-NH2 3.31Å; D100-R135 IonicContact OD2-NE 3.76Å; D100-R135 PolarHBondContact OD2-NE 3.05Å; D100-R135 IonicContact OD2-NH2 2.91Å; H102-R135 HydrophobicContact CB-CG 4.18Å
136	E	83.9	Confident	86.2	Confident	109 Å²	109	64.2 Å²	64.2	51%	0.509	34%	0.337	S	S	.	.			trans	-111.4	126.4	175.2	-61.5	-176.4	175	0	0	109.4	P103 V138	P103-E136 WeakPolarHBondContact CD-O 3.42Å; P103-E136 HydrophobicContact CG-CB 4.18Å; E136-V138 HydrophobicContact CB-CG1 4.22Å; E136-V138 HydrophobicContact CB-CG2 3.84Å; E136-V138 PolarHBondContact O-N 2.89Å
137	D	89.4	Confident	86.5	Confident	71 Å²	71	61.9 Å²	61.9	38%	0.38	33%	0.327	S	S	.	.			trans	-79.7	70.7	172.8	178.7	38.9	0	0	0	109.5	T76 A77 T78	T76-D137 WeakPolarHBondContact CB-OD1 3.05Å; T76-D137 WeakPolarHBondContact CB-OD2 3.02Å; T76-D137 PolarHBondContact OG1-OD1 3.45Å; A77-D137 PolarHBondContact N-OD1 3.38Å; A77-D137 PolarHBondContact N-OD2 2.99Å; T78-D137 PolarHBondContact N-OD1 3.35Å; T78-D137 PolarHBondContact OG1-OD1 2.9Å
138	V	92.3	Very high	86.7	Confident	46 Å²	46	62.9 Å²	62.9	28%	0.279	33%	0.332	S	S	.	.			trans	-129.2	138.3	-178.1	-63.4	0	0	0	0	110.6	T78 P103 E136 E140	T78-V138 WeakPolarHBondContact CG2-O 3.29Å; P103-V138 HydrophobicContact CG-CG2 3.71Å; E136-V138 HydrophobicContact CB-CG1 4.22Å; E136-V138 HydrophobicContact CB-CG2 3.84Å; E136-V138 PolarHBondContact O-N 2.89Å; V138-E140 VanDerWaalsContact C-N 3.29Å
139	T	92	Very high	87	Confident	59 Å²	59	63.1 Å²	63.1	36%	0.362	33%	0.334	S	S	.	.	S	Bend	trans	-91.1	6.8	174.4	56.1	0	0	0	0	112.5	A77 T78 I146	A77-T139 HydrophobicContact CB-CG2 4.14Å; T78-T139 HydrophobicContact CG2-CG2 3.94Å; T139-I146 PolarHBondContact O-N 2.74Å
140	E	92.8	Very high	87.4	Confident	107 Å²	107	63.6 Å²	63.6	50%	0.5	34%	0.336	S	S	.	.	B	Isolated β-bridge	trans	-155.1	128.6	-173.1	-167.9	165.8	176.5	0	0	111	V138 K160	V138-E140 VanDerWaalsContact C-N 3.29Å; E140-K160 VanDerWaalsContact CD-NZ 3.33Å; E140-K160 VanDerWaalsContact CG-CE 3.41Å; E140-K160 WeakPolarHBondContact OE1-CE 3.3Å; E140-K160 IonicContact OE1-NZ 2.65Å; E140-K160 PolarHBondContact OE1-NZ 3.05Å
141	T	93.1	Very high	88	Confident	18 Å²	18	65.3 Å²	65.3	11%	0.11	35%	0.349	C	S	.	.			trans	-115.2	-178.9	172	74.1	0	0	0	0	109.7	P103 A106 F109 C143 C144 K160	P103-T141 HydrophobicContact CB-CG2 3.91Å; P103-T141 HydrophobicContact CG-CG2 4.03Å; A106-T141 PolarHBondContact O-OG1 3.1Å; F109-T141 HydrophobicContact CE1-CG2 3.74Å; F109-T141 HydrophobicContact CZ-CG2 3.99Å; T141-C143 VanDerWaalsContact C-N 3.28Å; T141-C143 PolarHBondContact O-N 2.88Å; T141-C143 PolarHBondContact OG1-N 2.93Å; T141-C143 PolarHBondContact OG1-SG 2.86Å; T141-C144 PolarHBondContact N-O 3.16Å; T141-C144 PolarHBondContact OG1-N 2.88Å; T141-K160 WeakPolarHBondContact O-CE 3.34Å; T141-K160 PolarHBondContact O-NZ 3.2Å
142	N	92.7	Very high	88.9	Confident	161 Å²	161	63.2 Å²	63.2	86%	0.861	33%	0.334	S	S	*	.	S	Bend	trans	-62.5	-34.3	174.2	-73.2	-21.5	0	0	0	112.9
143	C	93.2	Very high	90.1	Very high	22 Å²	22	60.8 Å²	60.8	15%	0.149	32%	0.318	C	S	.	.	S	Bend	trans	-84.2	-35.4	-179.3	75.7	0	0	0	0	113.1	A106 N107 T141 K160	A106-C143 PolarHBondContact O-SG 3.04Å; N107-C143 WeakPolarHBondContact OD1-CB 3.47Å; N107-C143 PolarHBondContact OD1-SG 2.92Å; T141-C143 VanDerWaalsContact C-N 3.28Å; T141-C143 PolarHBondContact O-N 2.88Å; T141-C143 PolarHBondContact OG1-N 2.93Å; T141-C143 PolarHBondContact OG1-SG 2.86Å; C143-K160 WeakPolarHBondContact O-CB 3.32Å; C143-K160 WeakPolarHBondContact O-CG 3.23Å; C143-K160 PolarHBondContact O-N 2.77Å
144	C	95.9	Very high	91.6	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	-145.9	155.7	-151.6	-47.8	0	0	0	0	112.9	F109 T141 I157 W158 K160 M166	F109-C144 HydrophobicContact CE2-CB 3.98Å; F109-C144 HydrophobicContact CZ-CB 3.58Å; T141-C144 PolarHBondContact N-O 3.16Å; T141-C144 PolarHBondContact OG1-N 2.88Å; C144-I157 HydrophobicContact CB-CG2 4.2Å; C144-W158 CarbonylContact C-O 3.57Å; C144-W158 WeakPolarHBondContact CA-O 3.42Å; C144-W158 WeakPolarHBondContact CB-O 3.18Å; C144-K160 WeakPolarHBondContact O-CE 3.39Å; C144-M166 HydrophobicContact CB-CE 4.42Å
145	R	95.9	Very high	92.9	Very high	137 Å²	137	52.9 Å²	52.9	52%	0.517	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	141.8	173.2	-177.6	177.7	177.3	178.9	-0.3	109.3	I157 W158	R145-I157 CarbonylContact O-C 3.52Å; R145-I157 VanDerWaalsContact O-CA 3.31Å; R145-I157 WeakPolarHBondContact O-CA 3.18Å; R145-W158 HydrophobicContact CB-CE3 4.28Å; R145-W158 HydrophobicContact CG-CE3 4.39Å; R145-W158 PolarHBondContact N-O 3.22Å; R145-W158 PolarHBondContact O-N 3.48Å
146	I	95.7	Very high	93.6	Very high	5 Å²	5	47.2 Å²	47.2	3%	0.026	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	135.1	174.2	-57.7	164.3	0	0	0	107.9	I101 F109 T139 V155 R156 I157	I101-I146 HydrophobicContact CD1-CD1 4.21Å; I101-I146 HydrophobicContact CD1-CG1 4.32Å; I101-I146 HydrophobicContact CD1-CG2 3.83Å; I101-I146 HydrophobicContact CG1-CD1 4.23Å; I101-I146 HydrophobicContact CG1-CG2 4.46Å; I101-I146 HydrophobicContact CG2-CG2 4.18Å; F109-I146 HydrophobicContact CD1-CD1 3.84Å; F109-I146 HydrophobicContact CD1-CG1 4.38Å; F109-I146 HydrophobicContact CE1-CD1 3.95Å; F109-I146 HydrophobicContact CE1-CG1 4.33Å; T139-I146 PolarHBondContact O-N 2.74Å; I146-V155 HydrophobicContact CG2-CG1 4.35Å; I146-R156 CarbonylContact C-O 3.49Å; I146-R156 WeakPolarHBondContact CA-O 3.36Å; I146-I157 HydrophobicContact CG1-CG1 4.49Å
147	Q	95.7	Very high	94.2	Very high	65 Å²	65	42 Å²	42	30%	0.304	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	137	169.2	179.4	176.3	-21.7	0	0	109.1	R156 W158	Q147-R156 PolarHBondContact N-O 2.94Å; Q147-R156 PolarHBondContact O-N 3.43Å; Q147-W158 HydrophobicContact CB-CH2 3.31Å; Q147-W158 HydrophobicContact CB-CZ3 3.22Å; Q147-W158 HydrophobicContact CG-CH2 4.07Å; Q147-W158 HydrophobicContact CG-CZ3 4.41Å
148	L	95.8	Very high	94.5	Very high	25 Å²	25	40.5 Å²	40.5	13%	0.131	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	123.4	169.8	-55.7	-179.6	0	0	0	108.8	A77 Y99 I101 V155	A77-L148 VanDerWaalsContact O-CD1 3.29Å; A77-L148 WeakPolarHBondContact O-CD1 3.44Å; Y99-L148 HydrophobicContact CE2-CD1 3.72Å; Y99-L148 HydrophobicContact CE2-CD2 4.28Å; I101-L148 HydrophobicContact CG2-CD2 3.92Å; L148-V155 HydrophobicContact CD2-CG2 3.85Å
149	C	94.9	Very high	94.7	Very high	6 Å²	6	38.7 Å²	38.7	4%	0.041	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	133.3	167.3	-59.8	0	0	0	0	108	F153 G154 C170	C149-F153 VanDerWaalsContact O-CA 3.27Å; C149-F153 WeakPolarHBondContact O-CA 2.93Å; C149-F153 WeakPolarHBondContact O-CD2 3.43Å; C149-G154 PolarHBondContact N-O 3.08Å; C149-G154 PolarHBondContact O-N 2.79Å; C149-C170 HydrophobicContact CB-CB 3.68Å; C149-C170 WeakPolarHBondContact CB-SG 3.39Å; C149-C170 WeakPolarHBondContact SG-CB 3.27Å; C149-C170 CovalentContact SG-SG 2.02Å; C149-C170 PolarHBondContact SG-SG 2.82Å
150	T	92.9	Very high	94.9	Very high	69 Å²	69	40 Å²	40	42%	0.423	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	-25.4	-165.6	49.3	0	0	0	0	114.6	S70 V71	S70-T150 CarbonylContact C-O 3.57Å; S70-T150 VanDerWaalsContact CA-O 3.32Å; S70-T150 WeakPolarHBondContact CA-O 3.43Å; V71-T150 HydrophobicContact CB-CG2 4.43Å; V71-T150 HydrophobicContact CG2-CG2 4.12Å; V71-T150 PolarHBondContact N-O 3.19Å
151	S	92.2	Very high	95.1	Very high	60 Å²	60	39.6 Å²	39.6	42%	0.42	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-161.9	110.7	-177.4	170.9	0	0	0	0	110.5	S70	S70-S151 WeakPolarHBondContact OG-CB 3.32Å; S70-S151 PolarHBondContact OG-OG 2.88Å
152	P	92.7	Very high	95.2	Very high	19 Å²	19	40.9 Å²	40.9	12%	0.123	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	cis	-57.7	155.8	-17.1	30.3	-39.3	0	0	0	110.9	K67 Y69 H171	K67-P152 VanDerWaalsContact O-CB 3.28Å; K67-P152 WeakPolarHBondContact O-CB 3.29Å; Y69-P152 CarbonylContact O-C 3.44Å; Y69-P152 WeakPolarHBondContact O-CA 3.4Å; P152-H171 HydrophobicContact CG-CB 4.48Å
153	F	95.5	Very high	95.3	Very high	6 Å²	6	39.1 Å²	39.1	3%	0.026	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	142.5	177.9	177.2	-101.8	0	0	0	111	Y69 V71 L82 Y99 F111 I113 C149 V155 L175	Y69-F153 WeakPolarHBondContact O-CB 3.49Å; Y69-F153 PolarHBondContact O-N 2.02Å; V71-F153 HydrophobicContact CG2-CD2 3.65Å; V71-F153 HydrophobicContact CG2-CE2 4.2Å; L82-F153 HydrophobicContact CD1-CB 3.97Å; L82-F153 HydrophobicContact CD1-CD1 3.19Å; L82-F153 HydrophobicContact CD1-CD2 4.14Å; L82-F153 HydrophobicContact CD1-CE1 3.58Å; L82-F153 HydrophobicContact CD1-CE2 4.46Å; L82-F153 HydrophobicContact CD1-CG 3.48Å; L82-F153 VanDerWaalsContact CD1-CG 3.48Å; L82-F153 HydrophobicContact CD1-CZ 4.2Å; L82-F153 HydrophobicContact CD2-CB 3.92Å; L82-F153 HydrophobicContact CD2-CD1 4.06Å; L82-F153 HydrophobicContact CD2-CD2 3.38Å; L82-F153 HydrophobicContact CD2-CE1 4.42Å; L82-F153 HydrophobicContact CD2-CE2 3.82Å; L82-F153 HydrophobicContact CD2-CG 3.49Å; L82-F153 VanDerWaalsContact CD2-CG 3.49Å; L82-F153 HydrophobicContact CD2-CZ 4.31Å; L82-F153 HydrophobicContact CG-CD1 4.27Å; L82-F153 HydrophobicContact CG-CD2 4.42Å; L82-F153 HydrophobicContact CG-CG 4.13Å; Y99-F153 AromaticContact CD1-CE2 3.84Å; Y99-F153 HydrophobicContact CD1-CE2 3.84Å; Y99-F153 AromaticContact CD1-CZ 3.82Å; Y99-F153 HydrophobicContact CD1-CZ 3.82Å; Y99-F153 AromaticContact CD2-CE2 4Å; Y99-F153 HydrophobicContact CD2-CE2 4Å; Y99-F153 AromaticContact CD2-CZ 3.69Å; Y99-F153 HydrophobicContact CD2-CZ 3.69Å; Y99-F153 AromaticContact CE1-CE2 3.95Å; Y99-F153 HydrophobicContact CE1-CE2 3.95Å; Y99-F153 HydrophobicContact CE1-CZ 4.37Å; Y99-F153 HydrophobicContact CE2-CE2 4.12Å; Y99-F153 HydrophobicContact CE2-CZ 4.27Å; Y99-F153 HydrophobicContact CG-CE1 4.26Å; Y99-F153 AromaticContact CG-CE2 3.85Å; Y99-F153 HydrophobicContact CG-CE2 3.85Å; Y99-F153 AromaticContact CG-CZ 3.43Å; Y99-F153 HydrophobicContact CG-CZ 3.43Å; Y99-F153 VanDerWaalsContact CG-CZ 3.43Å; F111-F153 HydrophobicContact CE2-CE1 4.23Å; F111-F153 HydrophobicContact CE2-CZ 4.29Å; F111-F153 AromaticContact CZ-CE1 3.94Å; F111-F153 HydrophobicContact CZ-CE1 3.94Å; F111-F153 HydrophobicContact CZ-CZ 4.37Å; I113-F153 HydrophobicContact CD1-CE1 4.37Å; C149-F153 VanDerWaalsContact O-CA 3.27Å; C149-F153 WeakPolarHBondContact O-CA 2.93Å; C149-F153 WeakPolarHBondContact O-CD2 3.43Å; F153-V155 HydrophobicContact CE1-CG2 4.42Å; F153-V155 HydrophobicContact CZ-CG2 3.98Å; F153-L175 HydrophobicContact CD1-CD2 3.84Å
154	G	95.9	Very high	95.3	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-173	170.8	169.6	0	0	0	0	0	111.1	C149 S169	C149-G154 PolarHBondContact N-O 3.08Å; C149-G154 PolarHBondContact O-N 2.79Å; G154-S169 WeakPolarHBondContact CA-O 3.34Å
155	V	96.7	Very high	95.3	Very high	0 Å²	0	43 Å²	43	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	137.3	179.9	173	0	0	0	0	108.7	I101 F111 I146 L148 F153 I157 D168 S169	I101-V155 HydrophobicContact CD1-CG1 3.38Å; F111-V155 HydrophobicContact CD1-CG2 4.45Å; F111-V155 HydrophobicContact CD2-CG2 4.09Å; F111-V155 HydrophobicContact CE1-CB 4.19Å; F111-V155 HydrophobicContact CE1-CG2 3.99Å; F111-V155 HydrophobicContact CE2-CG2 3.58Å; F111-V155 HydrophobicContact CG-CG2 4.49Å; F111-V155 HydrophobicContact CZ-CB 4.19Å; F111-V155 HydrophobicContact CZ-CG2 3.49Å; F111-V155 VanDerWaalsContact CZ-CG2 3.49Å; I146-V155 HydrophobicContact CG2-CG1 4.35Å; L148-V155 HydrophobicContact CD2-CG2 3.85Å; F153-V155 HydrophobicContact CE1-CG2 4.42Å; F153-V155 HydrophobicContact CZ-CG2 3.98Å; V155-I157 HydrophobicContact CG1-CG1 4.14Å; V155-D168 WeakPolarHBondContact O-CA 3.31Å; V155-S169 PolarHBondContact N-OG 3.24Å; V155-S169 PolarHBondContact O-N 3.32Å; V155-S169 PolarHBondContact O-OG 2.93Å
156	R	96.8	Very high	95.3	Very high	7 Å²	7	36.4 Å²	36.4	3%	0.026	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	129.8	173.1	-168	176.7	-74.4	170.1	-10.1	110.7	I146 Q147 W158 T165 F167 D168	I146-R156 CarbonylContact C-O 3.49Å; I146-R156 WeakPolarHBondContact CA-O 3.36Å; Q147-R156 PolarHBondContact N-O 2.94Å; Q147-R156 PolarHBondContact O-N 3.43Å; R156-W158 HydrophobicContact CB-CH2 3.59Å; R156-W158 HydrophobicContact CB-CZ2 4.26Å; R156-W158 HydrophobicContact CB-CZ3 3.75Å; R156-W158 HydrophobicContact CG-CD2 4.16Å; R156-W158 HydrophobicContact CG-CE3 4.13Å; R156-W158 HydrophobicContact CG-CH2 3.43Å; R156-W158 VanDerWaalsContact CG-CH2 3.43Å; R156-W158 HydrophobicContact CG-CZ2 3.59Å; R156-W158 HydrophobicContact CG-CZ3 3.74Å; R156-W158 VanDerWaalsContact O-CZ3 3.3Å; R156-W158 WeakPolarHBondContact O-CZ3 3.34Å; R156-T165 HydrophobicContact CG-CG2 3.67Å; R156-F167 CarbonylContact C-O 3.59Å; R156-F167 VanDerWaalsContact CA-O 3.23Å; R156-F167 WeakPolarHBondContact CA-O 3.45Å; R156-D168 HydrophobicContact CG-CB 4.12Å; R156-D168 IonicContact CZ-OD1 3.23Å; R156-D168 IonicContact CZ-OD2 3.35Å; R156-D168 IonicContact NE-OD1 2.93Å; R156-D168 PolarHBondContact NE-OD1 2.91Å; R156-D168 IonicContact NE-OD2 2.9Å; R156-D168 PolarHBondContact NE-OD2 3.17Å; R156-D168 IonicContact NH2-OD1 3.98Å; R156-D168 PolarHBondContact NH2-OD1 3.27Å; R156-D168 IonicContact NH2-OD2 2.61Å; R156-D168 PolarHBondContact NH2-OD2 3.2Å
157	I	97.1	Very high	95.4	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	120	177.3	-50.7	180	0	0	0	109	I101 F109 C144 R145 I146 V155 T165 M166 F167 I280	I101-I157 HydrophobicContact CD1-CD1 3.78Å; I101-I157 HydrophobicContact CD1-CG1 4.15Å; F109-I157 HydrophobicContact CB-CD1 4.11Å; F109-I157 HydrophobicContact CD2-CD1 4.4Å; F109-I157 HydrophobicContact CD2-CG2 4.45Å; F109-I157 HydrophobicContact CE2-CG2 4.37Å; F109-I157 HydrophobicContact CG-CD1 4.17Å; C144-I157 HydrophobicContact CB-CG2 4.2Å; R145-I157 CarbonylContact O-C 3.52Å; R145-I157 VanDerWaalsContact O-CA 3.31Å; R145-I157 WeakPolarHBondContact O-CA 3.18Å; I146-I157 HydrophobicContact CG1-CG1 4.49Å; V155-I157 HydrophobicContact CG1-CG1 4.14Å; I157-T165 CarbonylContact O-C 3.56Å; I157-T165 WeakPolarHBondContact O-CA 3.37Å; I157-M166 HydrophobicContact CG2-CE 3.72Å; I157-M166 PolarHBondContact O-N 3.03Å; I157-F167 HydrophobicContact CB-CB 4.41Å; I157-F167 HydrophobicContact CD1-CB 4.32Å; I157-F167 HydrophobicContact CG1-CB 4.34Å; I157-F167 PolarHBondContact N-O 3.25Å; I157-I280 HydrophobicContact CD1-CB 4.23Å; I157-I280 HydrophobicContact CD1-CD1 4.12Å; I157-I280 HydrophobicContact CD1-CG1 4.1Å; I157-I280 HydrophobicContact CD1-CG2 4.28Å
158	W	95.3	Very high	95.4	Very high	38 Å²	38	33.1 Å²	33.1	14%	0.144	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	144.4	175.6	-65.5	-100.8	0	0	0	111.8	C144 R145 Q147 R156 K164 T165	C144-W158 CarbonylContact C-O 3.57Å; C144-W158 WeakPolarHBondContact CA-O 3.42Å; C144-W158 WeakPolarHBondContact CB-O 3.18Å; R145-W158 HydrophobicContact CB-CE3 4.28Å; R145-W158 HydrophobicContact CG-CE3 4.39Å; R145-W158 PolarHBondContact N-O 3.22Å; R145-W158 PolarHBondContact O-N 3.48Å; Q147-W158 HydrophobicContact CB-CH2 3.31Å; Q147-W158 HydrophobicContact CB-CZ3 3.22Å; Q147-W158 HydrophobicContact CG-CH2 4.07Å; Q147-W158 HydrophobicContact CG-CZ3 4.41Å; R156-W158 HydrophobicContact CB-CH2 3.59Å; R156-W158 HydrophobicContact CB-CZ2 4.26Å; R156-W158 HydrophobicContact CB-CZ3 3.75Å; R156-W158 HydrophobicContact CG-CD2 4.16Å; R156-W158 HydrophobicContact CG-CE3 4.13Å; R156-W158 HydrophobicContact CG-CH2 3.43Å; R156-W158 VanDerWaalsContact CG-CH2 3.43Å; R156-W158 HydrophobicContact CG-CZ2 3.59Å; R156-W158 HydrophobicContact CG-CZ3 3.74Å; R156-W158 VanDerWaalsContact O-CZ3 3.3Å; R156-W158 WeakPolarHBondContact O-CZ3 3.34Å; W158-K164 CarbonylContact C-O 3.53Å; W158-K164 VanDerWaalsContact CA-O 3.26Å; W158-K164 WeakPolarHBondContact CA-O 3.48Å; W158-T165 HydrophobicContact CD2-CG2 4.32Å; W158-T165 HydrophobicContact CG-CG2 4.18Å; W158-T165 VanDerWaalsContact NE1-CG2 3.33Å
159	R	96.5	Very high	95.4	Very high	9 Å²	9	32 Å²	32	3%	0.034	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79	119.4	157.7	-177.7	-179.6	-55.4	-75.2	2.8	109.3	S161 T162 N163 K164 M166 E240 S246 A282	R159-S161 VanDerWaalsContact C-N 3.33Å; R159-S161 WeakPolarHBondContact CD-OG 3.45Å; R159-S161 VanDerWaalsContact CG-OG 3.28Å; R159-S161 WeakPolarHBondContact CG-OG 3.44Å; R159-S161 PolarHBondContact O-N 3.45Å; R159-T162 WeakPolarHBondContact CD-OG1 3.46Å; R159-N163 VanDerWaalsContact O-CA 3.24Å; R159-N163 WeakPolarHBondContact O-CA 3.49Å; R159-N163 PolarHBondContact O-N 2.9Å; R159-K164 PolarHBondContact N-O 3.32Å; R159-M166 HydrophobicContact CB-CE 4.26Å; R159-M166 HydrophobicContact CB-SD 4.23Å; R159-M166 PolarHBondContact NH2-SD 2.9Å; R159-E240 IonicContact CZ-OE1 2.95Å; R159-E240 IonicContact CZ-OE2 2.94Å; R159-E240 IonicContact NE-OE1 2.67Å; R159-E240 PolarHBondContact NE-OE1 3.12Å; R159-E240 IonicContact NE-OE2 3.7Å; R159-E240 PolarHBondContact NE-OE2 2.86Å; R159-E240 IonicContact NH2-OE1 3.45Å; R159-E240 PolarHBondContact NH2-OE1 3.22Å; R159-E240 IonicContact NH2-OE2 3.75Å; R159-S246 PolarHBondContact NH2-O 3.31Å; R159-A282 PolarHBondContact NH1-O 3.16Å; R159-A282 PolarHBondContact NH2-O 2.82Å
160	K	96.1	Very high	95.4	Very high	85 Å²	85	31.8 Å²	31.8	37%	0.37	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-37.2	-178.3	-69.6	-178.4	179.6	-176.1	0	113.3	E140 T141 C143 C144 T162	E140-K160 VanDerWaalsContact CD-NZ 3.33Å; E140-K160 VanDerWaalsContact CG-CE 3.41Å; E140-K160 WeakPolarHBondContact OE1-CE 3.3Å; E140-K160 IonicContact OE1-NZ 2.65Å; E140-K160 PolarHBondContact OE1-NZ 3.05Å; T141-K160 WeakPolarHBondContact O-CE 3.34Å; T141-K160 PolarHBondContact O-NZ 3.2Å; C143-K160 WeakPolarHBondContact O-CB 3.32Å; C143-K160 WeakPolarHBondContact O-CG 3.23Å; C143-K160 PolarHBondContact O-N 2.77Å; C144-K160 WeakPolarHBondContact O-CE 3.39Å; K160-T162 VanDerWaalsContact C-N 3.32Å; K160-T162 PolarHBondContact O-N 3.29Å
161	S	96	Very high	95.2	Very high	100 Å²	100	32.3 Å²	32.3	70%	0.699	18%	0.175	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.5	-30.5	-174.6	53.8	0	0	0	0	113.6	R159	R159-S161 VanDerWaalsContact C-N 3.33Å; R159-S161 WeakPolarHBondContact CD-OG 3.45Å; R159-S161 VanDerWaalsContact CG-OG 3.28Å; R159-S161 WeakPolarHBondContact CG-OG 3.44Å; R159-S161 PolarHBondContact O-N 3.45Å
162	T	95.8	Very high	95	Very high	44 Å²	44	29.9 Å²	29.9	27%	0.27	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-116.7	-9.8	-177.4	63.6	0	0	0	0	113.3	R159 K160 K164 N245	R159-T162 WeakPolarHBondContact CD-OG1 3.46Å; K160-T162 VanDerWaalsContact C-N 3.32Å; K160-T162 PolarHBondContact O-N 3.29Å; T162-K164 PolarHBondContact O-N 2.81Å; T162-K164 WeakPolarHBondContact OG1-CB 3.41Å; T162-K164 WeakPolarHBondContact OG1-CG 3.27Å; T162-K164 PolarHBondContact OG1-N 3.38Å; T162-N245 WeakPolarHBondContact CG2-ND2 3.39Å
163	N	94.7	Very high	94.5	Very high	125 Å²	125	29.9 Å²	29.9	67%	0.668	16%	0.157	S	C	*	.	T	Hydrogen-bonded Turn	trans	58	23.4	-172.4	-162.3	43	0	0	0	113.8	R159	R159-N163 VanDerWaalsContact O-CA 3.24Å; R159-N163 WeakPolarHBondContact O-CA 3.49Å; R159-N163 PolarHBondContact O-N 2.9Å
164	K	94.2	Very high	94.4	Very high	77 Å²	77	29.6 Å²	29.6	34%	0.335	16%	0.156	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	143.5	175.4	-68.4	-75.1	-173.5	160.9	0	111.3	W158 R159 T162	W158-K164 CarbonylContact C-O 3.53Å; W158-K164 VanDerWaalsContact CA-O 3.26Å; W158-K164 WeakPolarHBondContact CA-O 3.48Å; R159-K164 PolarHBondContact N-O 3.32Å; T162-K164 PolarHBondContact O-N 2.81Å; T162-K164 WeakPolarHBondContact OG1-CB 3.41Å; T162-K164 WeakPolarHBondContact OG1-CG 3.27Å; T162-K164 PolarHBondContact OG1-N 3.38Å
165	T	95.1	Very high	94.4	Very high	25 Å²	25	30 Å²	30	15%	0.153	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	120.2	172.8	49.4	0	0	0	0	110.2	R156 I157 W158	R156-T165 HydrophobicContact CG-CG2 3.67Å; I157-T165 CarbonylContact O-C 3.56Å; I157-T165 WeakPolarHBondContact O-CA 3.37Å; W158-T165 HydrophobicContact CD2-CG2 4.32Å; W158-T165 HydrophobicContact CG-CG2 4.18Å; W158-T165 VanDerWaalsContact NE1-CG2 3.33Å
166	M	95.6	Very high	94.4	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	-36.5	178.4	-65.6	174.1	-64.6	0	0	111.5	C144 I157 R159 E240 H247 A282	C144-M166 HydrophobicContact CB-CE 4.42Å; I157-M166 HydrophobicContact CG2-CE 3.72Å; I157-M166 PolarHBondContact O-N 3.03Å; R159-M166 HydrophobicContact CB-CE 4.26Å; R159-M166 HydrophobicContact CB-SD 4.23Å; R159-M166 PolarHBondContact NH2-SD 2.9Å; M166-E240 WeakPolarHBondContact CG-OE1 3.3Å; M166-H247 HydrophobicContact CB-CB 4.02Å; M166-H247 HydrophobicContact CG-CB 3.88Å; M166-H247 PolarHBondContact O-CE1 3.38Å; M166-H247 VanDerWaalsContact O-CE1 3.31Å; M166-H247 PolarHBondContact O-NE2 2.79Å; M166-H247 HydrophobicContact SD-CB 3.89Å; M166-A282 HydrophobicContact CE-CB 4.02Å; M166-A282 HydrophobicContact SD-CB 3.94Å
167	F	97.4	Very high	94.4	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	122.9	177.1	-171.4	-82.1	0	0	0	107.7	F111 R156 I157 T186 V249 F278 I280	F111-F167 AromaticContact CD1-CE1 3.87Å; F111-F167 HydrophobicContact CD1-CE1 3.87Å; F111-F167 AromaticContact CD1-CZ 3.91Å; F111-F167 HydrophobicContact CD1-CZ 3.91Å; F111-F167 AromaticContact CE1-CE1 3.95Å; F111-F167 HydrophobicContact CE1-CE1 3.95Å; F111-F167 HydrophobicContact CE1-CZ 4.15Å; R156-F167 CarbonylContact C-O 3.59Å; R156-F167 VanDerWaalsContact CA-O 3.23Å; R156-F167 WeakPolarHBondContact CA-O 3.45Å; I157-F167 HydrophobicContact CB-CB 4.41Å; I157-F167 HydrophobicContact CD1-CB 4.32Å; I157-F167 HydrophobicContact CG1-CB 4.34Å; I157-F167 PolarHBondContact N-O 3.25Å; F167-T186 HydrophobicContact CD1-CG2 4.31Å; F167-T186 HydrophobicContact CD2-CG2 4.04Å; F167-T186 HydrophobicContact CE1-CG2 3.81Å; F167-T186 HydrophobicContact CE2-CG2 3.53Å; F167-T186 HydrophobicContact CG-CG2 4.41Å; F167-T186 HydrophobicContact CZ-CG2 3.39Å; F167-V249 HydrophobicContact CD2-CG1 4.36Å; F167-V249 HydrophobicContact CD2-CG2 4.13Å; F167-V249 HydrophobicContact CE2-CG1 4.25Å; F167-F278 HydrophobicContact CE2-CB 4.5Å; F167-F278 HydrophobicContact CE2-CD1 4.18Å; F167-F278 HydrophobicContact CE2-CD2 4.44Å; F167-F278 HydrophobicContact CE2-CG 4.13Å; F167-F278 HydrophobicContact CZ-CD2 4.12Å; F167-F278 HydrophobicContact CZ-CE2 4.32Å; F167-F278 HydrophobicContact CZ-CG 4.26Å; F167-I280 HydrophobicContact CB-CG1 4.27Å; F167-I280 HydrophobicContact CB-CG2 4.47Å; F167-I280 HydrophobicContact CD2-CD1 4.44Å; F167-I280 HydrophobicContact CD2-CG1 3.83Å; F167-I280 HydrophobicContact CE2-CG1 4.43Å; F167-I280 HydrophobicContact CG-CG1 4.17Å
168	D	96.8	Very high	94.3	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	97.2	179.3	179.1	27.5	0	0	0	111.5	V155 R156 C170 T186 R187	V155-D168 WeakPolarHBondContact O-CA 3.31Å; R156-D168 HydrophobicContact CG-CB 4.12Å; R156-D168 IonicContact CZ-OD1 3.23Å; R156-D168 IonicContact CZ-OD2 3.35Å; R156-D168 IonicContact NE-OD1 2.93Å; R156-D168 PolarHBondContact NE-OD1 2.91Å; R156-D168 IonicContact NE-OD2 2.9Å; R156-D168 PolarHBondContact NE-OD2 3.17Å; R156-D168 IonicContact NH2-OD1 3.98Å; R156-D168 PolarHBondContact NH2-OD1 3.27Å; R156-D168 IonicContact NH2-OD2 2.61Å; R156-D168 PolarHBondContact NH2-OD2 3.2Å; D168-C170 VanDerWaalsContact OD1-CB 3.29Å; D168-C170 WeakPolarHBondContact OD1-CB 3.48Å; D168-C170 PolarHBondContact OD1-N 3.24Å; D168-C170 VanDerWaalsContact OD1-N 3.08Å; D168-T186 CarbonylContact O-C 3.46Å; D168-T186 VanDerWaalsContact O-CA 3.26Å; D168-T186 WeakPolarHBondContact O-CA 3.33Å; D168-R187 HydrophobicContact CB-CB 4.24Å; D168-R187 PolarHBondContact O-N 2.86Å; D168-R187 IonicContact OD2-NH1 3.11Å; D168-R187 PolarHBondContact OD2-NH1 3.09Å; D168-R187 VanDerWaalsContact OD2-NH1 3.17Å
169	S	95.9	Very high	94.2	Very high	3 Å²	3	33.5 Å²	33.5	2%	0.021	18%	0.181	C	C	.	.			trans	-100.7	11.6	170.2	63.7	0	0	0	0	113.3	G154 V155 T172 S185	G154-S169 WeakPolarHBondContact CA-O 3.34Å; V155-S169 PolarHBondContact N-OG 3.24Å; V155-S169 PolarHBondContact O-N 3.32Å; V155-S169 PolarHBondContact O-OG 2.93Å; S169-T172 PolarHBondContact O-OG1 3.36Å; S169-S185 WeakPolarHBondContact CA-O 3.3Å; S169-S185 VanDerWaalsContact CB-O 3.27Å; S169-S185 WeakPolarHBondContact CB-O 3.44Å
170	C	94.5	Very high	94	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.9	138.2	177	-72.3	0	0	0	0	111.6	C149 D168 T172 R187	C149-C170 HydrophobicContact CB-CB 3.68Å; C149-C170 WeakPolarHBondContact CB-SG 3.39Å; C149-C170 WeakPolarHBondContact SG-CB 3.27Å; C149-C170 CovalentContact SG-SG 2.02Å; C149-C170 PolarHBondContact SG-SG 2.82Å; D168-C170 VanDerWaalsContact OD1-CB 3.29Å; D168-C170 WeakPolarHBondContact OD1-CB 3.48Å; D168-C170 PolarHBondContact OD1-N 3.24Å; D168-C170 VanDerWaalsContact OD1-N 3.08Å; C170-T172 VanDerWaalsContact C-N 3.3Å; C170-T172 PolarHBondContact O-N 3.28Å; C170-R187 PolarHBondContact O-NH1 3.04Å
171	H	87.9	Confident	94.1	Very high	81 Å²	81	30.8 Å²	30.8	38%	0.375	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.2	38.4	172.4	-46.4	-67.9	0	0	0	113.7	P152 R187	P152-H171 HydrophobicContact CG-CB 4.48Å; H171-R187 PolarHBondContact O-NH2 2.95Å
172	T	87.7	Confident	94.1	Very high	9 Å²	9	26 Å²	26	6%	0.055	14%	0.137	C	C	.	.			trans	-99.9	-15.7	174.5	67.3	0	0	0	0	113	I26 T28 S169 C170 D174	I26-T172 HydrophobicContact CD1-CG2 3.45Å; I26-T172 VanDerWaalsContact CD1-CG2 3.45Å; I26-T172 HydrophobicContact CG1-CG2 4.43Å; T28-T172 WeakPolarHBondContact CG2-O 3.17Å; S169-T172 PolarHBondContact O-OG1 3.36Å; C170-T172 VanDerWaalsContact C-N 3.3Å; C170-T172 PolarHBondContact O-N 3.28Å; T172-D174 WeakPolarHBondContact CB-OD1 3.4Å; T172-D174 PolarHBondContact O-N 2.78Å; T172-D174 PolarHBondContact OG1-OD1 3.08Å
173	S	84	Confident	94.2	Very high	18 Å²	18	24 Å²	24	13%	0.126	12%	0.124	C	C	.	.			trans	53.5	4.2	177.9	-66	0	0	0	0	116.5	H66	H66-S173 PolarHBondContact CD2-O 3.19Å; H66-S173 WeakPolarHBondContact O-CB 3.48Å; H66-S173 PolarHBondContact O-OG 2.84Å
174	D	92.8	Very high	94.3	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	9%	0.093	C	C	.	.			trans	-106.7	-1.2	-172	77.7	-48	0	0	0	113.8	T28 I62 T172 Y176 Q183 S185	T28-D174 HydrophobicContact CG2-CB 3.65Å; I62-D174 HydrophobicContact CD1-CB 3.79Å; T172-D174 WeakPolarHBondContact CB-OD1 3.4Å; T172-D174 PolarHBondContact O-N 2.78Å; T172-D174 PolarHBondContact OG1-OD1 3.08Å; D174-Y176 PolarHBondContact O-N 3.06Å; D174-Q183 PolarHBondContact O-NE2 2.92Å; D174-S185 WeakPolarHBondContact OD1-CB 2.95Å; D174-S185 PolarHBondContact OD1-N 2.04Å; D174-S185 VanDerWaalsContact OD1-N 3.14Å; D174-S185 WeakPolarHBondContact OD2-CB 3.48Å; D174-S185 PolarHBondContact OD2-N 3.46Å; D174-S185 PolarHBondContact OD2-OG 2.77Å
175	L	95.7	Very high	94.4	Very high	8 Å²	8	14.5 Å²	14.5	4%	0.042	8%	0.077	C	C	.	.			trans	-57	115.2	171	175.4	61.8	0	0	0	108.3	Y69 L82 I97 I113 F153 Q183 L276	Y69-L175 HydrophobicContact CD2-CB 4.28Å; Y69-L175 HydrophobicContact CD2-CD2 3.94Å; Y69-L175 HydrophobicContact CD2-CG 3.72Å; Y69-L175 VanDerWaalsContact CD2-O 3.24Å; Y69-L175 WeakPolarHBondContact CD2-O 3.47Å; Y69-L175 HydrophobicContact CE2-CG 4.24Å; Y69-L175 WeakPolarHBondContact CE2-O 3.41Å; Y69-L175 HydrophobicContact CG-CD2 4.31Å; L82-L175 HydrophobicContact CD1-CD2 4.2Å; I97-L175 HydrophobicContact CD1-CD2 4.31Å; I113-L175 HydrophobicContact CD1-CD1 3.61Å; I113-L175 HydrophobicContact CD1-CD2 3.86Å; I113-L175 HydrophobicContact CD1-CG 4.42Å; F153-L175 HydrophobicContact CD1-CD2 3.84Å; L175-Q183 VanDerWaalsContact CA-O 3.3Å; L175-Q183 WeakPolarHBondContact CA-O 3.35Å; L175-L276 HydrophobicContact CD1-CD1 3.93Å
176	Y	95.6	Very high	94.5	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	134.1	-176.4	-159.4	-92.9	0	0	0	109.9	Y84 F89 Y90 G91 V93 D174 F181 L182 Q183	Y84-Y176 AromaticContact CE2-CD2 3.84Å; Y84-Y176 HydrophobicContact CE2-CD2 3.84Å; Y84-Y176 AromaticContact CE2-CE2 4Å; Y84-Y176 HydrophobicContact CE2-CE2 4Å; Y84-Y176 AromaticContact CZ-CE2 3.84Å; Y84-Y176 WeakPolarHBondContact OH-CE2 3.44Å; F89-Y176 AromaticContact CD1-CD2 3.93Å; F89-Y176 HydrophobicContact CD1-CD2 3.93Å; F89-Y176 AromaticContact CD1-CE2 3.82Å; F89-Y176 HydrophobicContact CD1-CE2 3.82Å; F89-Y176 AromaticContact CE1-CD2 3.21Å; F89-Y176 HydrophobicContact CE1-CD2 3.21Å; F89-Y176 AromaticContact CE1-CE2 3.6Å; F89-Y176 HydrophobicContact CE1-CE2 3.6Å; F89-Y176 AromaticContact CE1-CG 3.98Å; F89-Y176 HydrophobicContact CE1-CG 3.98Å; F89-Y176 HydrophobicContact CE2-CD2 4.24Å; F89-Y176 HydrophobicContact CE2-CE2 4.47Å; F89-Y176 HydrophobicContact CE2-CG 4.37Å; F89-Y176 HydrophobicContact CG-CE2 4.35Å; F89-Y176 HydrophobicContact CZ-CD1 4.47Å; F89-Y176 AromaticContact CZ-CD2 3.39Å; F89-Y176 HydrophobicContact CZ-CD2 3.39Å; F89-Y176 AromaticContact CZ-CE2 3.95Å; F89-Y176 HydrophobicContact CZ-CE2 3.95Å; F89-Y176 AromaticContact CZ-CG 3.65Å; F89-Y176 HydrophobicContact CZ-CG 3.65Å; Y90-Y176 HydrophobicContact CD1-CE1 4.46Å; Y90-Y176 PolarHBondContact N-OH 3.34Å; G91-Y176 PolarHBondContact N-OH 2.83Å; G91-Y176 PolarHBondContact O-OH 2.85Å; V93-Y176 HydrophobicContact CG2-CE1 4.45Å; V93-Y176 HydrophobicContact CG2-CE2 3.59Å; V93-Y176 WeakPolarHBondContact CG2-OH 3.35Å; D174-Y176 PolarHBondContact O-N 3.06Å; Y176-F181 AromaticContact CD1-CD1 3.68Å; Y176-F181 HydrophobicContact CD1-CD1 3.68Å; Y176-F181 AromaticContact CD1-CE1 3.92Å; Y176-F181 HydrophobicContact CD1-CE1 3.92Å; Y176-F181 HydrophobicContact CE1-CD1 4.21Å; Y176-F181 HydrophobicContact CG-CE1 4.43Å; Y176-L182 CarbonylContact O-C 3.55Å; Y176-L182 WeakPolarHBondContact O-CA 2.95Å; Y176-Q183 PolarHBondContact N-O 2.78Å; Y176-Q183 PolarHBondContact O-N 3.32Å
177	V	97	Very high	94.5	Very high	1 Å²	1	14.3 Å²	14.3	1%	0.006	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	114.8	-179.9	-175	0	0	0	0	107.4	Y69 V94 I97 I113 L182	Y69-V177 HydrophobicContact CE2-CG2 4.41Å; Y69-V177 PolarHBondContact OH-O 3.17Å; V94-V177 HydrophobicContact CB-CB 4.42Å; V94-V177 HydrophobicContact CB-CG1 4.04Å; V94-V177 HydrophobicContact CG2-CG1 4.2Å; V94-V177 PolarHBondContact N-O 2.73Å; I97-V177 HydrophobicContact CD1-CG2 3.97Å; I97-V177 HydrophobicContact CG2-CB 4.1Å; I97-V177 HydrophobicContact CG2-CG1 4.2Å; I97-V177 HydrophobicContact CG2-CG2 4.24Å; I113-V177 HydrophobicContact CG2-CG2 4.31Å; V177-L182 HydrophobicContact CG1-CG 4.43Å
178	S	95.4	Very high	94.4	Very high	4 Å²	4	15 Å²	15	3%	0.028	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	165.7	175.3	171.2	0	0	0	0	108.2	P92 R120 Q180 F181	P92-S178 VanDerWaalsContact O-CB 3.31Å; P92-S178 WeakPolarHBondContact O-CB 3.38Å; P92-S178 PolarHBondContact O-OG 3.28Å; R120-S178 PolarHBondContact NH2-O 2.88Å; S178-Q180 PolarHBondContact O-N 3.22Å; S178-F181 PolarHBondContact N-O 2.87Å; S178-F181 PolarHBondContact O-N 2.81Å; S178-F181 VanDerWaalsContact O-O 3.1Å
179	D	92.7	Very high	94.3	Very high	114 Å²	114	16.3 Å²	16.3	61%	0.61	9%	0.085	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.4	136.3	160.5	-70.2	-26.6	0	0	0	109.8	R120 F181	R120-D179 IonicContact CZ-OD1 3.56Å; R120-D179 IonicContact NH2-OD1 3.21Å; R120-D179 PolarHBondContact NH2-OD1 2.89Å; D179-F181 PolarHBondContact O-N 2.91Å; D179-F181 VanDerWaalsContact O-N 3.11Å
180	Q	94.1	Very high	94.3	Very high	37 Å²	37	17 Å²	17	17%	0.173	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.3	11.3	-177.1	-56.4	-168.7	-57.9	0	0	116.7	S178 L272 T498 P502 Y533	S178-Q180 PolarHBondContact O-N 3.22Å; Q180-L272 CarbonylContact C-O 3.54Å; Q180-L272 WeakPolarHBondContact CA-O 3.22Å; Q180-L272 VanDerWaalsContact O-CD2 3.25Å; Q180-L272 WeakPolarHBondContact O-CD2 3.45Å; Q180-T498 PolarHBondContact NE2-O 3.26Å; Q180-T498 PolarHBondContact OE1-O 2.93Å; Q180-P502 HydrophobicContact CB-CB 4.39Å; Q180-Y533 WeakPolarHBondContact CG-OH 3.24Å; Q180-Y533 PolarHBondContact NE2-OH 3.18Å
181	F	96.4	Very high	94.4	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.6	112.2	178.9	-174.1	-93.4	0	0	0	112.1	P32 Y90 Y176 S178 D179 Q183 Y504	P32-F181 HydrophobicContact CG-CE2 3.54Å; P32-F181 HydrophobicContact CG-CZ 3.68Å; Y90-F181 HydrophobicContact CD1-CB 3.8Å; Y90-F181 AromaticContact CD1-CD1 3.74Å; Y90-F181 HydrophobicContact CD1-CD1 3.74Å; Y90-F181 HydrophobicContact CD1-CD2 4.24Å; Y90-F181 HydrophobicContact CD1-CE1 4.4Å; Y90-F181 AromaticContact CD1-CG 3.66Å; Y90-F181 HydrophobicContact CD1-CG 3.66Å; Y90-F181 HydrophobicContact CD2-CD2 4.47Å; Y90-F181 HydrophobicContact CD2-CE2 4.44Å; Y90-F181 HydrophobicContact CE1-CB 3.46Å; Y90-F181 VanDerWaalsContact CE1-CB 3.46Å; Y90-F181 HydrophobicContact CE1-CD1 4.16Å; Y90-F181 AromaticContact CE1-CD2 3.91Å; Y90-F181 HydrophobicContact CE1-CD2 3.91Å; Y90-F181 AromaticContact CE1-CG 3.58Å; Y90-F181 HydrophobicContact CE1-CG 3.58Å; Y90-F181 HydrophobicContact CE2-CD2 4.13Å; Y90-F181 HydrophobicContact CE2-CE2 4.31Å; Y90-F181 HydrophobicContact CG-CD1 4.02Å; Y90-F181 HydrophobicContact CG-CE1 4.22Å; Y90-F181 HydrophobicContact CG-CG 4.19Å; Y90-F181 AromaticContact CZ-CD2 3.85Å; Y176-F181 AromaticContact CD1-CD1 3.68Å; Y176-F181 HydrophobicContact CD1-CD1 3.68Å; Y176-F181 AromaticContact CD1-CE1 3.92Å; Y176-F181 HydrophobicContact CD1-CE1 3.92Å; Y176-F181 HydrophobicContact CE1-CD1 4.21Å; Y176-F181 HydrophobicContact CG-CE1 4.43Å; S178-F181 PolarHBondContact N-O 2.87Å; S178-F181 PolarHBondContact O-N 2.81Å; S178-F181 VanDerWaalsContact O-O 3.1Å; D179-F181 PolarHBondContact O-N 2.91Å; D179-F181 VanDerWaalsContact O-N 3.11Å; F181-Q183 HydrophobicContact CE1-CB 3.91Å; F181-Q183 HydrophobicContact CZ-CB 4.05Å; F181-Y504 AromaticContact CD2-CD1 3.64Å; F181-Y504 HydrophobicContact CD2-CD1 3.64Å; F181-Y504 HydrophobicContact CD2-CE1 4.32Å; F181-Y504 AromaticContact CD2-CG 3.94Å; F181-Y504 HydrophobicContact CD2-CG 3.94Å; F181-Y504 AromaticContact CE2-CD1 3.94Å; F181-Y504 HydrophobicContact CE2-CD1 3.94Å; F181-Y504 HydrophobicContact CE2-CE1 4.31Å; F181-Y504 HydrophobicContact CE2-CG 4.09Å
182	L	97.4	Very high	94.8	Very high	1 Å²	1	18 Å²	18	1%	0.005	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	137.7	169.5	-62.1	71.5	0	0	0	108.9	Y176 V177 R270 T271 L276	Y176-L182 CarbonylContact O-C 3.55Å; Y176-L182 WeakPolarHBondContact O-CA 2.95Å; V177-L182 HydrophobicContact CG1-CG 4.43Å; L182-R270 VanDerWaalsContact O-CA 3.28Å; L182-R270 WeakPolarHBondContact O-CA 3.33Å; L182-T271 HydrophobicContact CB-CG2 3.78Å; L182-T271 HydrophobicContact CD1-CG2 4.33Å; L182-T271 HydrophobicContact CD2-CG2 4.16Å; L182-T271 HydrophobicContact CG-CG2 4.31Å; L182-T271 PolarHBondContact N-O 3.02Å; L182-T271 PolarHBondContact O-N 3.03Å; L182-L276 HydrophobicContact CB-CD2 4.3Å; L182-L276 HydrophobicContact CD2-CD2 4.43Å; L182-L276 HydrophobicContact CD2-CG 4.16Å
183	Q	97	Very high	95.3	Very high	1 Å²	1	17.5 Å²	17.5	1%	0.005	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	143.8	178.6	-175.3	175.7	-91.9	0	0	111.5	D174 L175 Y176 F181 T268 W269 R270	D174-Q183 PolarHBondContact O-NE2 2.92Å; L175-Q183 VanDerWaalsContact CA-O 3.3Å; L175-Q183 WeakPolarHBondContact CA-O 3.35Å; Y176-Q183 PolarHBondContact N-O 2.78Å; Y176-Q183 PolarHBondContact O-N 3.32Å; F181-Q183 HydrophobicContact CE1-CB 3.91Å; F181-Q183 HydrophobicContact CZ-CB 4.05Å; Q183-T268 HydrophobicContact CG-CG2 3.71Å; Q183-W269 VanDerWaalsContact CA-O 3.25Å; Q183-W269 WeakPolarHBondContact CA-O 3.48Å; Q183-R270 HydrophobicContact CB-CG 4.33Å; Q183-R270 HydrophobicContact CG-CG 4.01Å
184	T	96.8	Very high	95.9	Very high	2 Å²	2	16.7 Å²	16.7	1%	0.012	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.2	146.1	162.8	-171	0	0	0	0	110.5	W269 L276 F278	T184-W269 HydrophobicContact CG2-CB 4.37Å; T184-W269 PolarHBondContact N-O 2.81Å; T184-W269 VanDerWaalsContact N-O 3.13Å; T184-W269 PolarHBondContact O-N 3.26Å; T184-L276 HydrophobicContact CG2-CD1 3.76Å; T184-L276 HydrophobicContact CG2-CD2 4.39Å; T184-F278 HydrophobicContact CG2-CE2 3.84Å; T184-F278 HydrophobicContact CG2-CZ 3.72Å
185	S	96.6	Very high	96.1	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	151.3	174.4	-65	0	0	0	0	113.1	S169 D174 I267 T268	S169-S185 WeakPolarHBondContact CA-O 3.3Å; S169-S185 VanDerWaalsContact CB-O 3.27Å; S169-S185 WeakPolarHBondContact CB-O 3.44Å; D174-S185 WeakPolarHBondContact OD1-CB 2.95Å; D174-S185 PolarHBondContact OD1-N 2.04Å; D174-S185 VanDerWaalsContact OD1-N 3.14Å; D174-S185 WeakPolarHBondContact OD2-CB 3.48Å; D174-S185 PolarHBondContact OD2-N 3.46Å; D174-S185 PolarHBondContact OD2-OG 2.77Å; S185-I267 CarbonylContact C-O 3.52Å; S185-I267 WeakPolarHBondContact CA-O 3.5Å; S185-T268 WeakPolarHBondContact OG-CB 3.45Å; S185-T268 WeakPolarHBondContact OG-CG2 3.33Å; S185-T268 PolarHBondContact OG-OG1 2.75Å
186	T	96.6	Very high	96.1	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	134.7	175.4	59.6	0	0	0	0	110.5	F167 D168 A266 I267	F167-T186 HydrophobicContact CD1-CG2 4.31Å; F167-T186 HydrophobicContact CD2-CG2 4.04Å; F167-T186 HydrophobicContact CE1-CG2 3.81Å; F167-T186 HydrophobicContact CE2-CG2 3.53Å; F167-T186 HydrophobicContact CG-CG2 4.41Å; F167-T186 HydrophobicContact CZ-CG2 3.39Å; D168-T186 CarbonylContact O-C 3.46Å; D168-T186 VanDerWaalsContact O-CA 3.26Å; D168-T186 WeakPolarHBondContact O-CA 3.33Å; T186-A266 WeakPolarHBondContact O-CA 3.47Å; T186-I267 PolarHBondContact N-O 2.88Å; T186-I267 PolarHBondContact O-N 3.39Å
187	R	95.9	Very high	95.7	Very high	22 Å²	22	16.3 Å²	16.3	8%	0.083	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	146	169.7	-58.5	-173.7	-179.1	74.1	6.6	110.5	P24 I26 D168 C170 H171	P24-R187 PolarHBondContact O-NE 3.34Å; P24-R187 VanDerWaalsContact O-NE 3.15Å; I26-R187 HydrophobicContact CD1-CG 3.65Å; I26-R187 HydrophobicContact CG1-CG 3.89Å; D168-R187 HydrophobicContact CB-CB 4.24Å; D168-R187 PolarHBondContact O-N 2.86Å; D168-R187 IonicContact OD2-NH1 3.11Å; D168-R187 PolarHBondContact OD2-NH1 3.09Å; D168-R187 VanDerWaalsContact OD2-NH1 3.17Å; C170-R187 PolarHBondContact O-NH1 3.04Å; H171-R187 PolarHBondContact O-NH2 2.95Å
188	L	95.8	Very high	95.7	Very high	13 Å²	13	16.6 Å²	16.6	7%	0.068	9%	0.087	C	C	.	.			trans	-103.9	145.6	173.3	-65.5	170.8	0	0	0	110.8	S190 I193 Y236 P265 I267	L188-S190 WeakPolarHBondContact CB-O 3.38Å; L188-S190 PolarHBondContact O-N 3.16Å; L188-I193 HydrophobicContact CD1-CD1 3.97Å; L188-Y236 HydrophobicContact CD2-CE2 3.87Å; L188-Y236 WeakPolarHBondContact CD2-OH 3.47Å; L188-P265 HydrophobicContact CB-CB 3.82Å; L188-P265 WeakPolarHBondContact CB-O 3.4Å; L188-P265 HydrophobicContact CD1-CB 4.4Å; L188-P265 PolarHBondContact N-O 2.75Å; L188-I267 HydrophobicContact CD1-CD1 4.01Å; L188-I267 HydrophobicContact CD1-CG1 3.61Å; L188-I267 HydrophobicContact CD2-CD1 3.82Å; L188-I267 HydrophobicContact CD2-CG1 4.01Å; L188-I267 HydrophobicContact CG-CD1 4.21Å; L188-I267 HydrophobicContact CG-CG1 3.86Å
189	P	95.1	Very high	95.6	Very high	28 Å²	28	16.8 Å²	16.8	18%	0.182	9%	0.088	C	C	.	.	S	Bend	trans	-70.9	-19	176.3	26.8	-32	0	0	0	113.3	E240	P189-E240 HydrophobicContact CB-CB 4.31Å; P189-E240 HydrophobicContact CG-CB 4.11Å; P189-E240 HydrophobicContact CG-CG 3.89Å
190	S	95.5	Very high	95.4	Very high	17 Å²	17	11.6 Å²	11.6	12%	0.119	6%	0.06	C	C	.	.	S	Bend	trans	-155.2	176.7	179.1	91.5	0	0	0	0	111.5	L188 Y192 V239 P265	L188-S190 WeakPolarHBondContact CB-O 3.38Å; L188-S190 PolarHBondContact O-N 3.16Å; S190-Y192 WeakPolarHBondContact OG-CD2 3.09Å; S190-Y192 PolarHBondContact OG-N 2.91Å; S190-V239 VanDerWaalsContact CB-O 3.29Å; S190-V239 WeakPolarHBondContact CB-O 3.34Å; S190-V239 PolarHBondContact OG-O 2.54Å; S190-P265 VanDerWaalsContact O-CB 3.23Å; S190-P265 WeakPolarHBondContact O-CB 3.47Å
191	S	95.9	Very high	95.1	Very high	36 Å²	36	10 Å²	10	25%	0.252	5%	0.054	S	C	.	.	S	Bend	trans	-90.4	3	173.3	60.5	0	0	0	0	114.5	I193 K205	S191-I193 PolarHBondContact O-N 3.32Å; S191-K205 WeakPolarHBondContact O-CE 3.34Å; S191-K205 PolarHBondContact O-NZ 3.49Å
192	Y	97.3	Very high	94.9	Very high	66 Å²	66	12.9 Å²	12.9	26%	0.259	7%	0.067	S	C	.	.			trans	-90.2	85.4	-177.9	-60.2	-76.3	0	0	0	109.8	S190 K205 C238 V239 W703	S190-Y192 WeakPolarHBondContact OG-CD2 3.09Å; S190-Y192 PolarHBondContact OG-N 2.91Å; Y192-K205 HydrophobicContact CD1-CD 3.78Å; Y192-K205 VanDerWaalsContact CD1-CE 3.45Å; Y192-K205 HydrophobicContact CE1-CD 4.26Å; Y192-C238 VanDerWaalsContact O-CA 3.24Å; Y192-C238 WeakPolarHBondContact O-CA 3.49Å; Y192-C238 PolarHBondContact O-SG 2.89Å; Y192-V239 PolarHBondContact O-N 3.31Å; Y192-W703 HydrophobicContact CD1-CB 4.01Å; Y192-W703 HydrophobicContact CD1-CD2 4.39Å; Y192-W703 AromaticContact CD1-CE3 3.74Å; Y192-W703 HydrophobicContact CD1-CE3 3.74Å; Y192-W703 AromaticContact CD2-CE3 3.74Å; Y192-W703 HydrophobicContact CD2-CE3 3.74Å; Y192-W703 AromaticContact CD2-CZ3 3.71Å; Y192-W703 HydrophobicContact CD2-CZ3 3.71Å; Y192-W703 HydrophobicContact CE1-CB 4.22Å; Y192-W703 HydrophobicContact CE1-CD2 4.47Å; Y192-W703 AromaticContact CE1-CE3 3.55Å; Y192-W703 HydrophobicContact CE1-CE3 3.55Å; Y192-W703 HydrophobicContact CE1-CZ3 4.27Å; Y192-W703 AromaticContact CE2-CE3 3.53Å; Y192-W703 HydrophobicContact CE2-CE3 3.53Å; Y192-W703 AromaticContact CE2-CZ3 3.38Å; Y192-W703 HydrophobicContact CE2-CZ3 3.38Å; Y192-W703 AromaticContact CG-CE3 3.85Å; Y192-W703 HydrophobicContact CG-CE3 3.85Å; Y192-W703 HydrophobicContact CG-CZ3 4.28Å; Y192-W703 AromaticContact CZ-CE3 3.43Å; Y192-W703 VanDerWaalsContact CZ-CE3 3.43Å; Y192-W703 AromaticContact CZ-CZ3 3.69Å
193	I	97.4	Very high	94.7	Very high	0 Å²	0	17 Å²	17	0%	0	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	138.7	-179.2	-173.6	171.9	0	0	0	111	L188 S191 F196 R206 I208 Y236 L237 L261 I267	L188-I193 HydrophobicContact CD1-CD1 3.97Å; S191-I193 PolarHBondContact O-N 3.32Å; I193-F196 HydrophobicContact CD1-CE2 4.15Å; I193-F196 HydrophobicContact CD1-CZ 4.46Å; I193-R206 HydrophobicContact CG2-CB 4Å; I193-R206 PolarHBondContact O-N 3.41Å; I193-I208 HydrophobicContact CG2-CG2 3.59Å; I193-Y236 HydrophobicContact CD1-CD1 4.26Å; I193-Y236 HydrophobicContact CD1-CD2 3.71Å; I193-Y236 HydrophobicContact CD1-CE2 4.32Å; I193-Y236 HydrophobicContact CD1-CG 3.7Å; I193-Y236 HydrophobicContact CG1-CD2 3.79Å; I193-Y236 HydrophobicContact CG1-CG 4.02Å; I193-L237 WeakPolarHBondContact CA-O 3.29Å; I193-L261 HydrophobicContact CD1-CD2 4.17Å; I193-L261 HydrophobicContact CG2-CD1 4.34Å; I193-I267 HydrophobicContact CD1-CD1 3.41Å; I193-I267 VanDerWaalsContact CD1-CD1 3.41Å; I193-I267 HydrophobicContact CD1-CG1 4.19Å
194	Y	97.9	Very high	94.6	Very high	0 Å²	0	17 Å²	17	0%	0	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	146.5	-175.4	-50.8	-91.1	0	0	0	109.4	F204 K205 Y236 L237 V239 L693 W703	Y194-F204 AromaticContact CD1-CD1 3.44Å; Y194-F204 HydrophobicContact CD1-CD1 3.44Å; Y194-F204 VanDerWaalsContact CD1-CD1 3.44Å; Y194-F204 HydrophobicContact CD1-CD2 4.39Å; Y194-F204 AromaticContact CD1-CE1 3.42Å; Y194-F204 HydrophobicContact CD1-CE1 3.42Å; Y194-F204 VanDerWaalsContact CD1-CE1 3.42Å; Y194-F204 HydrophobicContact CD1-CE2 4.38Å; Y194-F204 AromaticContact CD1-CG 3.94Å; Y194-F204 HydrophobicContact CD1-CG 3.94Å; Y194-F204 AromaticContact CD1-CZ 3.91Å; Y194-F204 HydrophobicContact CD1-CZ 3.91Å; Y194-F204 AromaticContact CE1-CD1 3.72Å; Y194-F204 HydrophobicContact CE1-CD1 3.72Å; Y194-F204 AromaticContact CE1-CE1 3.89Å; Y194-F204 HydrophobicContact CE1-CE1 3.89Å; Y194-F204 HydrophobicContact CE1-CG 4.48Å; Y194-F204 HydrophobicContact CG-CE1 4.14Å; Y194-F204 HydrophobicContact CG-CZ 4.29Å; Y194-K205 HydrophobicContact CD1-CB 4.37Å; Y194-K205 HydrophobicContact CE1-CB 3.87Å; Y194-Y236 CarbonylContact O-C 3.44Å; Y194-Y236 VanDerWaalsContact O-CA 3.24Å; Y194-Y236 WeakPolarHBondContact O-CA 3.36Å; Y194-Y236 WeakPolarHBondContact O-CB 3.3Å; Y194-L237 HydrophobicContact CD2-CD2 3.6Å; Y194-L237 HydrophobicContact CE2-CD2 4.15Å; Y194-L237 HydrophobicContact CG-CD2 4.47Å; Y194-L237 PolarHBondContact N-O 3.13Å; Y194-L237 PolarHBondContact O-N 2.88Å; Y194-V239 HydrophobicContact CE2-CG2 3.96Å; Y194-L693 HydrophobicContact CD1-CD2 4.18Å; Y194-L693 HydrophobicContact CE1-CD2 3.46Å; Y194-L693 VanDerWaalsContact CE1-CD2 3.46Å; Y194-L693 HydrophobicContact CE2-CD2 4.15Å; Y194-L693 VanDerWaalsContact CZ-CD2 3.45Å; Y194-W703 WeakPolarHBondContact CE1-O 3.33Å; Y194-W703 WeakPolarHBondContact OH-CA 3.42Å; Y194-W703 WeakPolarHBondContact OH-CB 3.46Å; Y194-W703 PolarHBondContact OH-O 2.85Å
195	G	96.5	Very high	94.6	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	89.1	-150.2	179.8	0	0	0	0	0	113.8	R206	G195-R206 WeakPolarHBondContact O-CG 3.37Å; G195-R206 PolarHBondContact O-NE 2.68Å; G195-R206 PolarHBondContact O-NH2 2.84Å
196	F	95.4	Very high	94.6	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)		49.5	128.8	-128.7	-41.7	-67.1	0	0	0	111.9	I193 R206 W213 M215 Q233 F235 Y236 V259 L261 I267 W269	I193-F196 HydrophobicContact CD1-CE2 4.15Å; I193-F196 HydrophobicContact CD1-CZ 4.46Å; F196-R206 PolarHBondContact O-NH2 3.12Å; F196-W213 HydrophobicContact CB-CB 4.28Å; F196-W213 HydrophobicContact CD2-CB 4.38Å; F196-W213 HydrophobicContact CD2-CG 4.4Å; F196-M215 HydrophobicContact CB-SD 4.07Å; F196-M215 HydrophobicContact CD1-CE 3.92Å; F196-M215 HydrophobicContact CD1-SD 4.11Å; F196-M215 HydrophobicContact CG-CE 4.46Å; F196-M215 HydrophobicContact CG-SD 4.49Å; F196-Q233 WeakPolarHBondContact CA-O 3.34Å; F196-F235 PolarHBondContact N-O 3.01Å; F196-Y236 HydrophobicContact CE1-CD1 4.17Å; F196-Y236 AromaticContact CZ-CD1 3.83Å; F196-Y236 HydrophobicContact CZ-CD1 3.83Å; F196-Y236 HydrophobicContact CZ-CG 4.2Å; F196-V259 HydrophobicContact CD1-CG1 4.24Å; F196-V259 HydrophobicContact CD1-CG2 3.85Å; F196-V259 HydrophobicContact CD2-CG2 3.38Å; F196-V259 HydrophobicContact CE1-CB 4.24Å; F196-V259 HydrophobicContact CE1-CG1 3.7Å; F196-V259 HydrophobicContact CE1-CG2 3.81Å; F196-V259 HydrophobicContact CE2-CB 4.14Å; F196-V259 HydrophobicContact CE2-CG1 4.48Å; F196-V259 HydrophobicContact CE2-CG2 3.35Å; F196-V259 HydrophobicContact CG-CG2 3.63Å; F196-V259 HydrophobicContact CZ-CB 3.95Å; F196-V259 HydrophobicContact CZ-CG1 3.83Å; F196-V259 HydrophobicContact CZ-CG2 3.56Å; F196-L261 HydrophobicContact CE2-CD2 4.2Å; F196-I267 HydrophobicContact CZ-CD1 4.14Å; F196-I267 HydrophobicContact CZ-CG2 4.4Å; F196-W269 AromaticContact CE1-CH2 3.62Å; F196-W269 HydrophobicContact CE1-CH2 3.62Å; F196-W269 HydrophobicContact CE1-CZ2 4.43Å; F196-W269 AromaticContact CE1-CZ3 3.73Å; F196-W269 HydrophobicContact CE1-CZ3 3.73Å; F196-W269 HydrophobicContact CZ-CH2 4.19Å; F196-W269 HydrophobicContact CZ-CZ3 4.49Å
197	G	87.9	Confident	94.4	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	168.4	175.5	0	0	0	0	0	110.1	G231 Q233	G197-G231 CarbonylContact C-O 3.36Å; G197-Q233 PolarHBondContact N-O 2.83Å; G197-Q233 PolarHBondContact O-N 2.71Å
198	E	95.4	Very high	94.3	Very high	8 Å²	8	22.4 Å²	22.4	4%	0.037	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	cis	-97.9	137.6	-2	-170	-173.7	178.3	0	0	111.8	L229 G231 H577 Y599	E198-L229 HydrophobicContact CB-CB 4.25Å; E198-L229 HydrophobicContact CG-CB 4.04Å; E198-L229 HydrophobicContact CG-CD1 4.08Å; E198-L229 PolarHBondContact O-N 3.18Å; E198-G231 PolarHBondContact N-O 3.02Å; E198-G231 PolarHBondContact OE2-N 3.03Å; E198-H577 IonicContact OE1-NE2 2.67Å; E198-H577 IonicContact OE2-CE1 3.69Å; E198-H577 IonicContact OE2-NE2 2.62Å; E198-Y599 HydrophobicContact CB-CE2 4.45Å; E198-Y599 HydrophobicContact CG-CE2 3.87Å; E198-Y599 PolarHBondContact OE2-OH 3.17Å
199	H	94	Very high	94.2	Very high	8 Å²	8	26 Å²	26	4%	0.037	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	160.2	179	-58.7	86	0	0	0	109.9	A201 W213 P214 Y227 L229	H199-A201 PolarHBondContact O-N 2.88Å; H199-W213 HydrophobicContact CB-CE3 4.1Å; H199-W213 HydrophobicContact CB-CZ3 3.84Å; H199-W213 AromaticContact CD2-CE3 3.95Å; H199-W213 AromaticContact CG-CE3 3.64Å; H199-W213 AromaticContact CG-CZ3 3.93Å; H199-W213 AromaticContact ND1-CE3 3.7Å; H199-P214 PolarHBondContact CE1-O 3.44Å; H199-P214 PolarHBondContact NE2-O 3.43Å; H199-Y227 WeakPolarHBondContact CA-O 3.07Å; H199-Y227 PolarHBondContact CD2-O 3.37Å; H199-L229 VanDerWaalsContact C-CD1 3.44Å
200	T	89.4	Confident	94.1	Very high	4 Å²	4	26 Å²	26	3%	0.025	13%	0.132	C	C	.	.			trans	-70.7	85.8	163.9	-40.9	0	0	0	0	109.2	H202 Y223 H225 W591	T200-H202 PolarHBondContact O-CD2 3.34Å; T200-H202 PolarHBondContact O-N 2.86Å; T200-Y223 WeakPolarHBondContact CG2-O 3.4Å; T200-Y223 PolarHBondContact OG1-O 3.08Å; T200-Y223 VanDerWaalsContact OG1-O 3.09Å; T200-H225 WeakPolarHBondContact CB-O 3.39Å; T200-H225 PolarHBondContact OG1-O 2.73Å; T200-W591 HydrophobicContact CG2-CD2 4.31Å; T200-W591 HydrophobicContact CG2-CE3 3.44Å; T200-W591 VanDerWaalsContact CG2-CE3 3.44Å; T200-W591 HydrophobicContact CG2-CZ3 3.67Å
201	A	86.8	Confident	93.9	Very high	5 Å²	5	31.3 Å²	31.3	4%	0.041	15%	0.149	C	C	.	.			trans	-83.5	112.5	-178.8	0	0	0	0	0	111.5	H199 N203 V594 E598	H199-A201 PolarHBondContact O-N 2.88Å; A201-N203 VanDerWaalsContact C-N 3.33Å; A201-V594 HydrophobicContact CB-CG1 3.64Å; A201-E598 WeakPolarHBondContact CB-OE1 3.18Å
202	H	91.4	Very high	93.7	Very high	59 Å²	59	32.5 Å²	32.5	27%	0.273	15%	0.148	S	C	.	.	S	Bend	trans	-75.7	-25.3	179	-59.9	179.4	0	0	0	113.2	T200 N224 W591	T200-H202 PolarHBondContact O-CD2 3.34Å; T200-H202 PolarHBondContact O-N 2.86Å; H202-N224 PolarHBondContact CE1-OD1 2.83Å; H202-N224 PolarHBondContact NE2-OD1 3.29Å; H202-W591 AromaticContact CD2-CD2 3.92Å; H202-W591 AromaticContact CD2-CE2 3.51Å; H202-W591 AromaticContact CD2-CH2 3.82Å; H202-W591 AromaticContact CD2-CZ2 3.46Å; H202-W591 VanDerWaalsContact CD2-CZ2 3.46Å; H202-W591 WeakPolarHBondContact CD2-CZ2 3.47Å; H202-W591 AromaticContact CD2-NE1 3.97Å; H202-W591 AromaticContact CE1-CZ2 3.87Å; H202-W591 AromaticContact CG-CE2 3.86Å; H202-W591 AromaticContact CG-CZ2 3.82Å; H202-W591 AromaticContact CG-NE1 3.95Å; H202-W591 AromaticContact NE2-CH2 3.51Å; H202-W591 AromaticContact NE2-CZ2 3.54Å
203	N	94	Very high	93.6	Very high	87 Å²	87	30.4 Å²	30.4	47%	0.465	14%	0.14	S	C	.	.	S	Bend	trans	-136.4	148	178.2	-50.3	-77.3	0	0	0	109.4	A201 R206 D706	A201-N203 VanDerWaalsContact C-N 3.33Å; N203-R206 PolarHBondContact O-NH1 2.96Å; N203-D706 VanDerWaalsContact CA-OD2 3.3Å; N203-D706 WeakPolarHBondContact CA-OD2 3.32Å; N203-D706 WeakPolarHBondContact CB-OD2 3.37Å; N203-D706 PolarHBondContact OD1-OD2 3.26Å
204	F	95.8	Very high	93.5	Very high	3 Å²	3	30.6 Å²	30.6	1%	0.013	14%	0.142	C	C	.	.	S	Bend	trans	-69.9	-45.2	179.1	-175.3	-130.5	0	0	0	112.5	Y194 V594 M597 E598 P691 L693 D706	Y194-F204 AromaticContact CD1-CD1 3.44Å; Y194-F204 HydrophobicContact CD1-CD1 3.44Å; Y194-F204 VanDerWaalsContact CD1-CD1 3.44Å; Y194-F204 HydrophobicContact CD1-CD2 4.39Å; Y194-F204 AromaticContact CD1-CE1 3.42Å; Y194-F204 HydrophobicContact CD1-CE1 3.42Å; Y194-F204 VanDerWaalsContact CD1-CE1 3.42Å; Y194-F204 HydrophobicContact CD1-CE2 4.38Å; Y194-F204 AromaticContact CD1-CG 3.94Å; Y194-F204 HydrophobicContact CD1-CG 3.94Å; Y194-F204 AromaticContact CD1-CZ 3.91Å; Y194-F204 HydrophobicContact CD1-CZ 3.91Å; Y194-F204 AromaticContact CE1-CD1 3.72Å; Y194-F204 HydrophobicContact CE1-CD1 3.72Å; Y194-F204 AromaticContact CE1-CE1 3.89Å; Y194-F204 HydrophobicContact CE1-CE1 3.89Å; Y194-F204 HydrophobicContact CE1-CG 4.48Å; Y194-F204 HydrophobicContact CG-CE1 4.14Å; Y194-F204 HydrophobicContact CG-CZ 4.29Å; F204-V594 HydrophobicContact CB-CG1 4.25Å; F204-V594 HydrophobicContact CD2-CG1 4.43Å; F204-M597 HydrophobicContact CB-CE 3.88Å; F204-M597 HydrophobicContact CD1-CE 4.2Å; F204-M597 HydrophobicContact CD2-CB 4.26Å; F204-M597 HydrophobicContact CD2-CE 4.17Å; F204-M597 HydrophobicContact CE2-CB 4.05Å; F204-M597 HydrophobicContact CG-CE 3.83Å; F204-M597 HydrophobicContact CZ-CB 4.42Å; F204-E598 HydrophobicContact CD2-CG 3.78Å; F204-E598 HydrophobicContact CE2-CG 3.69Å; F204-P691 HydrophobicContact CD1-CB 4.11Å; F204-P691 HydrophobicContact CD1-CG 4.12Å; F204-P691 HydrophobicContact CE1-CB 3.57Å; F204-P691 HydrophobicContact CE1-CG 3.25Å; F204-P691 HydrophobicContact CE2-CG 4.4Å; F204-P691 HydrophobicContact CZ-CB 4.27Å; F204-P691 HydrophobicContact CZ-CG 3.44Å; F204-P691 VanDerWaalsContact CZ-CG 3.44Å; F204-L693 HydrophobicContact CD1-CD2 4.11Å; F204-L693 HydrophobicContact CE1-CD2 3.72Å; F204-D706 HydrophobicContact CB-CB 3.81Å
205	K	96.8	Very high	93.4	Very high	48 Å²	48	30.7 Å²	30.7	21%	0.209	14%	0.142	C	C	.	.	B	Isolated β-bridge	trans	-72.3	131.8	168.9	177.7	-179.4	176	-78.1	0	109.5	S191 Y192 Y194 N704	S191-K205 WeakPolarHBondContact O-CE 3.34Å; S191-K205 PolarHBondContact O-NZ 3.49Å; Y192-K205 HydrophobicContact CD1-CD 3.78Å; Y192-K205 VanDerWaalsContact CD1-CE 3.45Å; Y192-K205 HydrophobicContact CE1-CD 4.26Å; Y194-K205 HydrophobicContact CD1-CB 4.37Å; Y194-K205 HydrophobicContact CE1-CB 3.87Å; K205-N704 WeakPolarHBondContact CD-OD1 3.13Å
206	R	95.1	Very high	93.4	Very high	2 Å²	2	31 Å²	31	1%	0.008	14%	0.143	C	C	.	.	P	Polyproline II helix	trans	-73.9	142.4	177.2	-56.6	-47.8	-164.9	-149.8	-1.3	112.2	I193 G195 F196 N203 W213 L261 E598	I193-R206 HydrophobicContact CG2-CB 4Å; I193-R206 PolarHBondContact O-N 3.41Å; G195-R206 WeakPolarHBondContact O-CG 3.37Å; G195-R206 PolarHBondContact O-NE 2.68Å; G195-R206 PolarHBondContact O-NH2 2.84Å; F196-R206 PolarHBondContact O-NH2 3.12Å; N203-R206 PolarHBondContact O-NH1 2.96Å; R206-W213 HydrophobicContact CB-CZ2 4.31Å; R206-W213 HydrophobicContact CG-CZ2 4.28Å; R206-L261 HydrophobicContact CB-CD1 3.91Å; R206-E598 IonicContact CZ-OE1 2.57Å; R206-E598 IonicContact NH1-OE1 3.36Å; R206-E598 PolarHBondContact NH1-OE1 3.38Å; R206-E598 IonicContact NH2-OE1 3.54Å; R206-E598 PolarHBondContact NH2-OE1 3.3Å; R206-E598 IonicContact NH2-OE2 2.83Å; R206-E598 PolarHBondContact NH2-OE2 3.02Å; R206-E598 VanDerWaalsContact NH2-OE2 3.11Å
207	D	93.5	Very high	93.5	Very high	68 Å²	68	31.1 Å²	31.1	36%	0.364	14%	0.144	S	C	.	.	P	Polyproline II helix	trans	-72.3	122.7	163.6	177.4	12.3	0	0	0	108.3	N209 R211	D207-N209 WeakPolarHBondContact OD1-CB 3.45Å; D207-N209 PolarHBondContact OD1-N 2.88Å; D207-R211 HydrophobicContact CB-CG 3.93Å; D207-R211 VanDerWaalsContact O-CB 3.31Å; D207-R211 WeakPolarHBondContact O-CB 3.34Å; D207-R211 VanDerWaalsContact O-CG 3.28Å; D207-R211 WeakPolarHBondContact O-CG 3.11Å; D207-R211 IonicContact OD2-CZ 3.19Å; D207-R211 IonicContact OD2-NE 3.09Å; D207-R211 PolarHBondContact OD2-NE 3.13Å; D207-R211 IonicContact OD2-NH2 2.73Å; D207-R211 PolarHBondContact OD2-NH2 2.89Å
208	I	93.8	Very high	93.8	Very high	18 Å²	18	31.5 Å²	31.5	9%	0.092	15%	0.145	C	C	.	.			trans	-98.1	3.2	-178.1	65.4	162	0	0	0	112.6	I193 W210 L261 Q262 P263 P265	I193-I208 HydrophobicContact CG2-CG2 3.59Å; I208-W210 PolarHBondContact O-N 3.12Å; I208-L261 HydrophobicContact CB-CB 4.09Å; I208-L261 HydrophobicContact CG2-CB 4.32Å; I208-L261 HydrophobicContact CG2-CD1 4.17Å; I208-L261 CarbonylContact O-C 3.55Å; I208-L261 VanDerWaalsContact O-C 3.22Å; I208-L261 VanDerWaalsContact O-O 3.1Å; I208-Q262 CarbonylContact O-C 3.51Å; I208-Q262 VanDerWaalsContact O-CA 3.25Å; I208-Q262 WeakPolarHBondContact O-CA 3.49Å; I208-Q262 PolarHBondContact O-N 3.39Å; I208-P263 WeakPolarHBondContact O-CD 3.43Å; I208-P265 HydrophobicContact CD1-CB 4.18Å; I208-P265 HydrophobicContact CD1-CG 3.9Å
209	N	93.6	Very high	93.7	Very high	88 Å²	88	32.2 Å²	32.2	47%	0.471	15%	0.149	S	C	.	.	S	Bend	trans	-81	84	-177.9	-169.7	35.6	0	0	0	111.5	D207 R211 P263	D207-N209 WeakPolarHBondContact OD1-CB 3.45Å; D207-N209 PolarHBondContact OD1-N 2.88Å; N209-R211 PolarHBondContact O-N 2.75Å; N209-P263 HydrophobicContact CB-CG 4.5Å; N209-P263 VanDerWaalsContact OD1-CG 3.27Å; N209-P263 WeakPolarHBondContact OD1-CG 3.21Å
210	W	93.3	Very high	93.6	Very high	30 Å²	30	32.7 Å²	32.7	11%	0.114	15%	0.152	C	C	.	.	S	Bend	trans	58	29.3	176.7	-52.7	109.9	0	0	0	114	I27 D55 G56 A57 I208 W260 L261 Q262 P263	I27-W210 HydrophobicContact CB-CH2 3.66Å; I27-W210 HydrophobicContact CB-CZ3 4.1Å; I27-W210 HydrophobicContact CD1-CH2 3.48Å; I27-W210 VanDerWaalsContact CD1-CH2 3.48Å; I27-W210 HydrophobicContact CD1-CZ2 3.85Å; I27-W210 HydrophobicContact CG1-CH2 4.08Å; I27-W210 HydrophobicContact CG2-CH2 3.9Å; I27-W210 HydrophobicContact CG2-CZ3 4.14Å; D55-W210 PolarHBondContact O-NE1 3.26Å; G56-W210 WeakPolarHBondContact O-CB 3.34Å; A57-W210 HydrophobicContact CB-CD2 4.11Å; A57-W210 HydrophobicContact CB-CE3 4.32Å; A57-W210 HydrophobicContact CB-CH2 3.67Å; A57-W210 HydrophobicContact CB-CZ2 3.39Å; A57-W210 HydrophobicContact CB-CZ3 4.11Å; I208-W210 PolarHBondContact O-N 3.12Å; W210-W260 AromaticContact CE3-CE2 3.83Å; W210-W260 HydrophobicContact CE3-CH2 4.11Å; W210-W260 AromaticContact CE3-CZ2 3.5Å; W210-W260 HydrophobicContact CE3-CZ2 3.5Å; W210-W260 VanDerWaalsContact CE3-CZ2 3.5Å; W210-W260 HydrophobicContact CZ3-CH2 4.14Å; W210-W260 AromaticContact CZ3-CZ2 4Å; W210-W260 HydrophobicContact CZ3-CZ2 4Å; W210-W260 PolarHBondContact O-NE1 3.35Å; W210-L261 CarbonylContact C-O 3.48Å; W210-L261 WeakPolarHBondContact CA-O 3.26Å; W210-L261 PolarHBondContact N-O 3.37Å; W210-L261 VanDerWaalsContact N-O 3.08Å; W210-Q262 HydrophobicContact CE3-CG 4.22Å; W210-Q262 HydrophobicContact CH2-CB 4.41Å; W210-Q262 HydrophobicContact CH2-CG 4.43Å; W210-Q262 HydrophobicContact CZ3-CB 4.15Å; W210-Q262 HydrophobicContact CZ3-CG 3.78Å; W210-P263 HydrophobicContact CZ2-CG 4.42Å
211	R	91.7	Very high	93.7	Very high	127 Å²	127	33.1 Å²	33.1	48%	0.479	16%	0.156	S	C	.	.			trans	-87.2	133.8	-176.7	-66.5	-60.2	-170.2	168.7	-0.7	111.9	D207 N209 W260 L261	D207-R211 HydrophobicContact CB-CG 3.93Å; D207-R211 VanDerWaalsContact O-CB 3.31Å; D207-R211 WeakPolarHBondContact O-CB 3.34Å; D207-R211 VanDerWaalsContact O-CG 3.28Å; D207-R211 WeakPolarHBondContact O-CG 3.11Å; D207-R211 IonicContact OD2-CZ 3.19Å; D207-R211 IonicContact OD2-NE 3.09Å; D207-R211 PolarHBondContact OD2-NE 3.13Å; D207-R211 IonicContact OD2-NH2 2.73Å; D207-R211 PolarHBondContact OD2-NH2 2.89Å; N209-R211 PolarHBondContact O-N 2.75Å; R211-W260 WeakPolarHBondContact O-CA 3.27Å; R211-L261 PolarHBondContact N-O 3.09Å; R211-L261 PolarHBondContact O-N 3.26Å
212	R	91.6	Very high	93.6	Very high	61 Å²	61	33.9 Å²	33.9	23%	0.23	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	139.6	173.2	-63.7	177.4	-176.6	157.8	-7.7	109.6	D35 V259 W260 K507	D35-R212 IonicContact OD1-CZ 3.82Å; D35-R212 IonicContact OD1-NH1 2.69Å; D35-R212 PolarHBondContact OD1-NH1 2.96Å; D35-R212 IonicContact OD1-NH2 3.41Å; D35-R212 PolarHBondContact OD1-NH2 3.43Å; D35-R212 IonicContact OD2-NH1 3.95Å; R212-V259 CarbonylContact C-O 3.47Å; R212-V259 VanDerWaalsContact CA-O 3.28Å; R212-V259 WeakPolarHBondContact CA-O 3.44Å; R212-W260 HydrophobicContact CG-CB 4.28Å; R212-W260 VanDerWaalsContact CG-CD1 3.4Å; R212-W260 HydrophobicContact CG-CG 4.01Å; R212-K507 VanDerWaalsContact NH1-CE 3.26Å
213	W	94	Very high	93.2	Very high	22 Å²	22	35.9 Å²	35.9	8%	0.083	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	95.3	175.6	-62	84.6	0	0	0	108.9	F196 H199 R206 E258 V259	F196-W213 HydrophobicContact CB-CB 4.28Å; F196-W213 HydrophobicContact CD2-CB 4.38Å; F196-W213 HydrophobicContact CD2-CG 4.4Å; H199-W213 HydrophobicContact CB-CE3 4.1Å; H199-W213 HydrophobicContact CB-CZ3 3.84Å; H199-W213 AromaticContact CD2-CE3 3.95Å; H199-W213 AromaticContact CG-CE3 3.64Å; H199-W213 AromaticContact CG-CZ3 3.93Å; H199-W213 AromaticContact ND1-CE3 3.7Å; R206-W213 HydrophobicContact CB-CZ2 4.31Å; R206-W213 HydrophobicContact CG-CZ2 4.28Å; W213-E258 VanDerWaalsContact O-CA 3.32Å; W213-E258 WeakPolarHBondContact O-CA 3.27Å; W213-V259 HydrophobicContact CB-CG2 3.67Å; W213-V259 HydrophobicContact CG-CG2 4.38Å; W213-V259 PolarHBondContact N-O 2.83Å; W213-V259 PolarHBondContact O-N 2.76Å; W213-V259 VanDerWaalsContact O-N 3.14Å
214	P	95.1	Very high	92.8	Very high	5 Å²	5	37.1 Å²	37.1	3%	0.032	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	143.1	-178.3	33.4	-38.1	0	0	0	111	H199 N228 M257 E258 K507 V508	H199-P214 PolarHBondContact CE1-O 3.44Å; H199-P214 PolarHBondContact NE2-O 3.43Å; P214-N228 HydrophobicContact CG-CB 4.39Å; P214-N228 WeakPolarHBondContact O-CB 3.46Å; P214-M257 CarbonylContact C-O 3.57Å; P214-E258 HydrophobicContact CB-CB 4.47Å; P214-K507 WeakPolarHBondContact CG-O 3.44Å; P214-V508 HydrophobicContact CB-CG1 3.89Å
215	M	97	Very high	92.1	Very high	2 Å²	2	38.3 Å²	38.3	1%	0.01	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	107.9	-177.3	-78.2	174.7	-69.9	0	0	109.5	F196 V232 P234 M257 V259	F196-M215 HydrophobicContact CB-SD 4.07Å; F196-M215 HydrophobicContact CD1-CE 3.92Å; F196-M215 HydrophobicContact CD1-SD 4.11Å; F196-M215 HydrophobicContact CG-CE 4.46Å; F196-M215 HydrophobicContact CG-SD 4.49Å; M215-V232 HydrophobicContact CB-CG1 4.12Å; M215-P234 HydrophobicContact CE-CB 4.12Å; M215-P234 VanDerWaalsContact SD-CA 3.5Å; M215-P234 HydrophobicContact SD-CB 3.87Å; M215-M257 HydrophobicContact CB-CG 3.69Å; M215-M257 HydrophobicContact CB-SD 4.47Å; M215-M257 HydrophobicContact CE-CG 3.79Å; M215-M257 HydrophobicContact CE-SD 3.88Å; M215-M257 PolarHBondContact N-O 3.12Å; M215-M257 PolarHBondContact O-N 2.88Å; M215-V259 HydrophobicContact CE-CG1 4.02Å; M215-V259 HydrophobicContact CE-CG2 4.31Å
216	W	96.4	Very high	91.3	Very high	7 Å²	7	38.9 Å²	38.9	3%	0.027	19%	0.187	C	C	.	.			trans	-162.4	121.5	178.6	-169.2	-126.4	0	0	0	107.4	R218 N228 A256 V508 L516 M523 H536 S537	W216-R218 PolarHBondContact O-N 2.87Å; W216-N228 PolarHBondContact O-ND2 3.28Å; W216-A256 HydrophobicContact CD2-CB 3.78Å; W216-A256 VanDerWaalsContact CE3-CA 3.44Å; W216-A256 HydrophobicContact CE3-CB 3.54Å; W216-A256 HydrophobicContact CG-CB 4.27Å; W216-A256 HydrophobicContact CH2-CB 4.38Å; W216-A256 HydrophobicContact CZ3-CB 3.89Å; W216-V508 HydrophobicContact CB-CG1 3.58Å; W216-V508 HydrophobicContact CG-CG1 4.33Å; W216-L516 PolarHBondContact NE1-O 3.36Å; W216-M523 HydrophobicContact CH2-SD 4.22Å; W216-M523 HydrophobicContact CZ2-CE 3.87Å; W216-M523 HydrophobicContact CZ2-SD 3.7Å; W216-H536 AromaticContact CD1-NE2 4Å; W216-H536 AromaticContact CD2-CD2 3.32Å; W216-H536 AromaticContact CD2-NE2 3.84Å; W216-H536 AromaticContact CE2-CD2 3.12Å; W216-H536 AromaticContact CE2-CG 3.71Å; W216-H536 AromaticContact CE2-NE2 3.55Å; W216-H536 AromaticContact CE3-CD2 3.54Å; W216-H536 HydrophobicContact CH2-CB 3.19Å; W216-H536 AromaticContact CH2-CD2 3.53Å; W216-H536 AromaticContact CH2-CG 3.55Å; W216-H536 HydrophobicContact CZ2-CB 3.48Å; W216-H536 VanDerWaalsContact CZ2-CB 3.48Å; W216-H536 AromaticContact CZ2-CD2 3.24Å; W216-H536 WeakPolarHBondContact CZ2-CD2 3.3Å; W216-H536 AromaticContact CZ2-CG 3.33Å; W216-H536 AromaticContact CZ2-NE2 3.98Å; W216-H536 HydrophobicContact CZ3-CB 3.75Å; W216-H536 AromaticContact CZ3-CD2 3.62Å; W216-H536 AromaticContact NE1-CD2 3.72Å; W216-H536 AromaticContact NE1-NE2 3.62Å; W216-S537 VanDerWaalsContact CE3-OG 3.27Å
217	A	96.7	Very high	90.9	Very high	1 Å²	1	43.5 Å²	43.5	1%	0.008	21%	0.205	C	C	.	.			trans	-61	135	-176.5	0	0	0	0	0	110.2	L229 Y230 V232 E476 H536	A217-L229 CarbonylContact C-O 3.58Å; A217-Y230 WeakPolarHBondContact CB-O 3.18Å; A217-V232 HydrophobicContact CB-CG2 4.04Å; A217-V232 VanDerWaalsContact N-CG2 3.27Å; A217-E476 HydrophobicContact CB-CB 4.28Å; A217-E476 HydrophobicContact CB-CG 4.18Å; A217-H536 PolarHBondContact O-CE1 2.66Å; A217-H536 PolarHBondContact O-NE2 3.48Å
218	R	94.5	Very high	90.9	Very high	8 Å²	8	40.3 Å²	40.3	3%	0.03	19%	0.188	C	C	.	.			trans	-151.6	143.6	-175	-175.3	177.8	162.8	105	-12.6	112.2	W216 E220 L229 Y230 D510 G518 K519	W216-R218 PolarHBondContact O-N 2.87Å; R218-E220 HydrophobicContact CB-CB 4.5Å; R218-E220 HydrophobicContact CG-CB 4.13Å; R218-E220 IonicContact CZ-OE2 2.89Å; R218-E220 IonicContact NE-OE2 3.65Å; R218-E220 PolarHBondContact NE-OE2 2.96Å; R218-E220 IonicContact NH2-OE2 2.8Å; R218-E220 PolarHBondContact NH2-OE2 3.48Å; R218-E220 PolarHBondContact O-N 2.98Å; R218-L229 PolarHBondContact N-O 3.39Å; R218-L229 CarbonylContact O-C 3.52Å; R218-Y230 WeakPolarHBondContact O-CD1 3.4Å; R218-D510 IonicContact CZ-OD2 3.61Å; R218-D510 IonicContact NH2-OD2 3.41Å; R218-D510 PolarHBondContact NH2-OD2 3.04Å; R218-G518 PolarHBondContact NH1-O 3.42Å; R218-K519 HydrophobicContact CG-CB 4.4Å
219	D	93.7	Very high	91	Very high	24 Å²	24	39.5 Å²	39.5	13%	0.128	18%	0.184	C	C	.	.			trans	-70.2	72.9	168	-172.4	28.8	0	0	0	111.1	M474 K519 R565	D219-M474 WeakPolarHBondContact OD2-CE 3.16Å; D219-K519 HydrophobicContact CB-CB 4.45Å; D219-K519 HydrophobicContact CB-CD 4.43Å; D219-K519 WeakPolarHBondContact O-CD 3.29Å; D219-K519 PolarHBondContact O-NZ 3.22Å; D219-R565 IonicContact OD1-CZ 3.83Å; D219-R565 VanDerWaalsContact OD1-CZ 3.26Å; D219-R565 IonicContact OD1-NH1 2.68Å; D219-R565 PolarHBondContact OD1-NH1 3.24Å; D219-R565 VanDerWaalsContact OD1-NH1 3.09Å; D219-R565 IonicContact OD1-NH2 3.51Å; D219-R565 PolarHBondContact OD1-NH2 3.13Å
220	E	92.3	Very high	91.1	Very high	18 Å²	18	35.3 Å²	35.3	8%	0.084	16%	0.161	C	C	.	.			trans	-125.6	122	-177.8	-162	60.6	-116.5	0	0	110.2	R218 L229 Y230 K519	R218-E220 HydrophobicContact CB-CB 4.5Å; R218-E220 HydrophobicContact CG-CB 4.13Å; R218-E220 IonicContact CZ-OE2 2.89Å; R218-E220 IonicContact NE-OE2 3.65Å; R218-E220 PolarHBondContact NE-OE2 2.96Å; R218-E220 IonicContact NH2-OE2 2.8Å; R218-E220 PolarHBondContact NH2-OE2 3.48Å; R218-E220 PolarHBondContact O-N 2.98Å; E220-L229 HydrophobicContact CB-CD2 3.97Å; E220-L229 HydrophobicContact CG-CD2 4.13Å; E220-L229 WeakPolarHBondContact O-CD2 3.37Å; E220-Y230 WeakPolarHBondContact O-CE1 3.31Å; E220-Y230 PolarHBondContact O-OH 2.87Å; E220-K519 VanDerWaalsContact CD-NZ 3.31Å; E220-K519 IonicContact OE1-NZ 2.99Å; E220-K519 PolarHBondContact OE1-NZ 3.2Å; E220-K519 IonicContact OE2-NZ 2.75Å; E220-K519 PolarHBondContact OE2-NZ 2.89Å
221	A	89.7	Confident	91.3	Very high	13 Å²	13	34 Å²	34	11%	0.107	16%	0.157	C	C	.	.			trans	-71.9	159.4	177.5	0	0	0	0	0	111	Y223 H225 Y230 D581	A221-Y223 VanDerWaalsContact C-N 3.26Å; A221-Y223 HydrophobicContact CB-CD2 4.06Å; A221-Y223 HydrophobicContact CB-CE2 3.52Å; A221-Y223 PolarHBondContact O-N 3.23Å; A221-H225 PolarHBondContact O-CE1 2.84Å; A221-H225 VanDerWaalsContact O-CE1 3.28Å; A221-H225 PolarHBondContact O-NE2 3.09Å; A221-Y230 WeakPolarHBondContact CA-OH 3.26Å; A221-D581 HydrophobicContact CB-CB 3.91Å
222	L	85	Confident	91.6	Very high	20 Å²	20	28 Å²	28	11%	0.105	14%	0.135	C	C	.	.	B	Isolated β-bridge	trans	-80.3	77.3	-177.2	-83	68.3	0	0	0	108.6	L229 Y230 L579 D581 Q588	L222-L229 HydrophobicContact CD1-CD1 3.69Å; L222-L229 HydrophobicContact CD1-CD2 4.48Å; L222-L229 HydrophobicContact CD2-CD1 4.47Å; L222-L229 HydrophobicContact CG-CD1 3.69Å; L222-Y230 HydrophobicContact CD1-CE2 3.6Å; L222-L579 WeakPolarHBondContact CD1-O 3.37Å; L222-L579 HydrophobicContact CD2-CB 4.37Å; L222-L579 WeakPolarHBondContact CD2-O 3.35Å; L222-D581 PolarHBondContact N-O 2.75Å; L222-Q588 VanDerWaalsContact O-CD 3.27Å; L222-Q588 PolarHBondContact O-NE2 3.34Å; L222-Q588 PolarHBondContact O-OE1 2.62Å
223	Y	83.6	Confident	91.9	Very high	101 Å²	101	25 Å²	25	40%	0.396	12%	0.124	S	C	.	.			trans	-91.2	171.3	167.9	-55.3	-66.7	0	0	0	110.8	T200 A221 H225 E583	T200-Y223 WeakPolarHBondContact CG2-O 3.4Å; T200-Y223 PolarHBondContact OG1-O 3.08Å; T200-Y223 VanDerWaalsContact OG1-O 3.09Å; A221-Y223 VanDerWaalsContact C-N 3.26Å; A221-Y223 HydrophobicContact CB-CD2 4.06Å; A221-Y223 HydrophobicContact CB-CE2 3.52Å; A221-Y223 PolarHBondContact O-N 3.23Å; Y223-H225 AromaticContact CD2-NE2 3.83Å; Y223-H225 PolarHBondContact O-N 2.9Å; Y223-H225 PolarHBondContact O-ND1 3.27Å; Y223-E583 VanDerWaalsContact CD1-CD 3.46Å; Y223-E583 HydrophobicContact CD1-CG 3.87Å; Y223-E583 HydrophobicContact CE1-CG 4.01Å
224	N	84.8	Confident	92.1	Very high	113 Å²	113	24 Å²	24	60%	0.604	12%	0.12	S	C	*	.	S	Bend	trans	-70.1	72.4	177.2	-172.5	3.2	0	0	0	112	H202 W591	H202-N224 PolarHBondContact CE1-OD1 2.83Å; H202-N224 PolarHBondContact NE2-OD1 3.29Å; N224-W591 HydrophobicContact CB-CH2 3.93Å; N224-W591 HydrophobicContact CB-CZ3 4.34Å
225	H	81.6	Confident	92.3	Very high	28 Å²	28	23.8 Å²	23.8	13%	0.13	12%	0.118	C	C	.	.	S	Bend	trans	-152.2	158.5	179.3	54.8	42.4	0	0	0	110.6	T200 A221 Y223 Y227	T200-H225 WeakPolarHBondContact CB-O 3.39Å; T200-H225 PolarHBondContact OG1-O 2.73Å; A221-H225 PolarHBondContact O-CE1 2.84Å; A221-H225 VanDerWaalsContact O-CE1 3.28Å; A221-H225 PolarHBondContact O-NE2 3.09Å; Y223-H225 AromaticContact CD2-NE2 3.83Å; Y223-H225 PolarHBondContact O-N 2.9Å; Y223-H225 PolarHBondContact O-ND1 3.27Å; H225-Y227 VanDerWaalsContact C-N 3.31Å; H225-Y227 HydrophobicContact CB-CD1 4.37Å; H225-Y227 HydrophobicContact CB-CD2 3.83Å; H225-Y227 HydrophobicContact CB-CE1 4.43Å; H225-Y227 HydrophobicContact CB-CE2 3.91Å; H225-Y227 HydrophobicContact CB-CG 4.07Å; H225-Y227 AromaticContact CD2-CD2 3.3Å; H225-Y227 WeakPolarHBondContact CD2-CD2 3.31Å; H225-Y227 AromaticContact CD2-CE2 3.62Å; H225-Y227 AromaticContact CE1-CD2 3.88Å; H225-Y227 AromaticContact CG-CD2 3.35Å; H225-Y227 AromaticContact CG-CE2 3.81Å; H225-Y227 AromaticContact CG-CG 3.77Å; H225-Y227 AromaticContact ND1-CD2 3.72Å; H225-Y227 AromaticContact ND1-CG 3.84Å; H225-Y227 AromaticContact NE2-CD2 3.66Å; H225-Y227 PolarHBondContact O-N 2.9Å
226	S	79.4	Confident	92.4	Very high	60 Å²	60	23.7 Å²	23.7	42%	0.42	12%	0.118	S	C	.	.			trans	-94.9	30.7	178.2	-52.8	0	0	0	0	113.7
227	Y	88.2	Confident	92.5	Very high	99 Å²	99	23.4 Å²	23.4	39%	0.388	12%	0.117	S	C	.	.			trans	-73.1	157.6	-178.4	-60.2	-24.2	0	0	0	112.8	H199 H225 A509	H199-Y227 WeakPolarHBondContact CA-O 3.07Å; H199-Y227 PolarHBondContact CD2-O 3.37Å; H225-Y227 VanDerWaalsContact C-N 3.31Å; H225-Y227 HydrophobicContact CB-CD1 4.37Å; H225-Y227 HydrophobicContact CB-CD2 3.83Å; H225-Y227 HydrophobicContact CB-CE1 4.43Å; H225-Y227 HydrophobicContact CB-CE2 3.91Å; H225-Y227 HydrophobicContact CB-CG 4.07Å; H225-Y227 AromaticContact CD2-CD2 3.3Å; H225-Y227 WeakPolarHBondContact CD2-CD2 3.31Å; H225-Y227 AromaticContact CD2-CE2 3.62Å; H225-Y227 AromaticContact CE1-CD2 3.88Å; H225-Y227 AromaticContact CG-CD2 3.35Å; H225-Y227 AromaticContact CG-CE2 3.81Å; H225-Y227 AromaticContact CG-CG 3.77Å; H225-Y227 AromaticContact ND1-CD2 3.72Å; H225-Y227 AromaticContact ND1-CG 3.84Å; H225-Y227 AromaticContact NE2-CD2 3.66Å; H225-Y227 PolarHBondContact O-N 2.9Å; Y227-A509 HydrophobicContact CD1-CB 4.24Å; Y227-A509 HydrophobicContact CD2-CB 3.75Å; Y227-A509 HydrophobicContact CE2-CB 4.25Å; Y227-A509 HydrophobicContact CG-CB 3.76Å
228	N	92.6	Very high	92.6	Very high	2 Å²	2	23.3 Å²	23.3	1%	0.011	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	137.6	167.7	55.6	-66.4	0	0	0	110.6	P214 W216 V508 A509	P214-N228 HydrophobicContact CG-CB 4.39Å; P214-N228 WeakPolarHBondContact O-CB 3.46Å; W216-N228 PolarHBondContact O-ND2 3.28Å; N228-V508 WeakPolarHBondContact OD1-CA 3.16Å; N228-V508 WeakPolarHBondContact OD1-CB 3.1Å; N228-A509 PolarHBondContact OD1-N 2.83Å
229	L	95.4	Very high	92.8	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	-137.3	-178.4	-54.3	176.7	0	0	0	110.3	E198 H199 A217 R218 E220 L222	E198-L229 HydrophobicContact CB-CB 4.25Å; E198-L229 HydrophobicContact CG-CB 4.04Å; E198-L229 HydrophobicContact CG-CD1 4.08Å; E198-L229 PolarHBondContact O-N 3.18Å; H199-L229 VanDerWaalsContact C-CD1 3.44Å; A217-L229 CarbonylContact C-O 3.58Å; R218-L229 PolarHBondContact N-O 3.39Å; R218-L229 CarbonylContact O-C 3.52Å; E220-L229 HydrophobicContact CB-CD2 3.97Å; E220-L229 HydrophobicContact CG-CD2 4.13Å; E220-L229 WeakPolarHBondContact O-CD2 3.37Å; L222-L229 HydrophobicContact CD1-CD1 3.69Å; L222-L229 HydrophobicContact CD1-CD2 4.48Å; L222-L229 HydrophobicContact CD2-CD1 4.47Å; L222-L229 HydrophobicContact CG-CD1 3.69Å
230	Y	97.1	Very high	92.9	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	-41.1	-166.1	-47.3	-69.3	0	0	0	114.2	A217 R218 E220 A221 L222 E476 R565 S566 D581	A217-Y230 WeakPolarHBondContact CB-O 3.18Å; R218-Y230 WeakPolarHBondContact O-CD1 3.4Å; E220-Y230 WeakPolarHBondContact O-CE1 3.31Å; E220-Y230 PolarHBondContact O-OH 2.87Å; A221-Y230 WeakPolarHBondContact CA-OH 3.26Å; L222-Y230 HydrophobicContact CD1-CE2 3.6Å; Y230-E476 VanDerWaalsContact CB-OE1 3.31Å; Y230-E476 WeakPolarHBondContact CB-OE1 3.45Å; Y230-E476 HydrophobicContact CD1-CG 4.26Å; Y230-E476 VanDerWaalsContact CD1-OE1 3.23Å; Y230-E476 WeakPolarHBondContact CD1-OE1 3.4Å; Y230-R565 HydrophobicContact CD1-CG 3.59Å; Y230-R565 HydrophobicContact CD2-CG 4.06Å; Y230-R565 HydrophobicContact CE1-CG 3.99Å; Y230-R565 HydrophobicContact CE2-CG 4.48Å; Y230-R565 HydrophobicContact CG-CG 3.58Å; Y230-S566 WeakPolarHBondContact O-CA 3.36Å; Y230-S566 PolarHBondContact O-OG 3.08Å; Y230-S566 VanDerWaalsContact O-OG 3.12Å; Y230-D581 PolarHBondContact OH-N 3.36Å
231	G	97.6	Very high	93.1	Very high	3 Å²	3	21.8 Å²	21.8	3%	0.031	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	152.4	-179.6	0	0	0	0	0	114.2	G197 E198 N567	G197-G231 CarbonylContact C-O 3.36Å; E198-G231 PolarHBondContact N-O 3.02Å; E198-G231 PolarHBondContact OE2-N 3.03Å; G231-N567 WeakPolarHBondContact CA-O 3.48Å
232	V	98.3	Very high	93.3	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	110.9	171.9	173.7	0	0	0	0	110.1	M215 A217 M257 N567 F568	M215-V232 HydrophobicContact CB-CG1 4.12Å; A217-V232 HydrophobicContact CB-CG2 4.04Å; A217-V232 VanDerWaalsContact N-CG2 3.27Å; V232-M257 HydrophobicContact CG1-CE 4.31Å; V232-N567 PolarHBondContact N-O 3.21Å; V232-F568 HydrophobicContact CB-CD2 3.92Å; V232-F568 HydrophobicContact CB-CE2 4.3Å; V232-F568 HydrophobicContact CG1-CD2 3.92Å; V232-F568 HydrophobicContact CG1-CE2 3.78Å; V232-F568 WeakPolarHBondContact O-CA 3.25Å; V232-F568 WeakPolarHBondContact O-CD2 3.47Å
233	Q	97.9	Very high	93.9	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	81.3	-174.1	-57.1	-63.9	-25.5	0	0	109.4	F196 G197 F235 N567 F568 F602	F196-Q233 WeakPolarHBondContact CA-O 3.34Å; G197-Q233 PolarHBondContact N-O 2.83Å; G197-Q233 PolarHBondContact O-N 2.71Å; Q233-F235 PolarHBondContact O-N 2.9Å; Q233-N567 PolarHBondContact NE2-OD1 3.37Å; Q233-F568 PolarHBondContact NE2-O 3.38Å; Q233-F568 VanDerWaalsContact NE2-O 3.15Å; Q233-F602 HydrophobicContact CB-CD1 3.99Å; Q233-F602 HydrophobicContact CB-CD2 3.95Å; Q233-F602 HydrophobicContact CB-CE1 4.01Å; Q233-F602 HydrophobicContact CB-CE2 3.97Å; Q233-F602 HydrophobicContact CB-CG 3.97Å; Q233-F602 HydrophobicContact CB-CZ 4.01Å; Q233-F602 HydrophobicContact CG-CB 4.23Å; Q233-F602 HydrophobicContact CG-CD1 4.4Å; Q233-F602 HydrophobicContact CG-CD2 3.64Å; Q233-F602 HydrophobicContact CG-CE2 4.03Å; Q233-F602 HydrophobicContact CG-CG 3.86Å
234	P	98.2	Very high	94.5	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	50.6	-178.2	33.5	-36.6	0	0	0	112.4	M215 L250 L251 M257	M215-P234 HydrophobicContact CE-CB 4.12Å; M215-P234 VanDerWaalsContact SD-CA 3.5Å; M215-P234 HydrophobicContact SD-CB 3.87Å; P234-L250 HydrophobicContact CG-CD1 3.92Å; P234-L250 WeakPolarHBondContact O-CA 3.16Å; P234-L251 HydrophobicContact CB-CB 4.42Å; P234-L251 WeakPolarHBondContact CG-O 3.25Å; P234-L251 PolarHBondContact O-N 3.39Å; P234-M257 HydrophobicContact CB-CE 4.09Å; P234-M257 HydrophobicContact CB-SD 3.68Å; P234-M257 HydrophobicContact CG-CE 4.23Å; P234-M257 HydrophobicContact CG-SD 4.43Å
235	F	98.6	Very high	95.1	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	136.9	-175.3	170.6	-96.6	0	0	0	110.6	F196 Q233 L237 V249 L250 F281 V289 L293 M601 F602	F196-F235 PolarHBondContact N-O 3.01Å; Q233-F235 PolarHBondContact O-N 2.9Å; F235-L237 HydrophobicContact CE1-CB 4.26Å; F235-L237 HydrophobicContact CZ-CB 4.37Å; F235-V249 VanDerWaalsContact CA-O 3.28Å; F235-V249 WeakPolarHBondContact CA-O 3.2Å; F235-V249 WeakPolarHBondContact CD2-O 3.48Å; F235-L250 HydrophobicContact CB-CD1 4.21Å; F235-L250 HydrophobicContact CD2-CB 4.04Å; F235-F281 HydrophobicContact CD2-CD2 4.43Å; F235-F281 HydrophobicContact CD2-CE2 4.17Å; F235-F281 AromaticContact CE2-CD2 3.81Å; F235-F281 HydrophobicContact CE2-CD2 3.81Å; F235-F281 AromaticContact CE2-CE2 3.95Å; F235-F281 HydrophobicContact CE2-CE2 3.95Å; F235-V289 HydrophobicContact CE2-CG1 4.29Å; F235-V289 HydrophobicContact CZ-CG1 3.73Å; F235-L293 HydrophobicContact CD1-CD2 3.96Å; F235-L293 HydrophobicContact CD2-CD1 3.93Å; F235-L293 HydrophobicContact CD2-CD2 4.05Å; F235-L293 HydrophobicContact CE1-CD2 4.03Å; F235-L293 HydrophobicContact CE2-CB 4.45Å; F235-L293 HydrophobicContact CE2-CD1 4.22Å; F235-L293 HydrophobicContact CE2-CD2 4.1Å; F235-L293 HydrophobicContact CE2-CG 4.49Å; F235-L293 HydrophobicContact CG-CD1 4.42Å; F235-L293 HydrophobicContact CG-CD2 3.96Å; F235-L293 HydrophobicContact CZ-CD2 4.1Å; F235-M601 HydrophobicContact CD1-CE 4.32Å; F235-M601 HydrophobicContact CD1-CG 4.48Å; F235-M601 HydrophobicContact CE1-CE 4.22Å; F235-M601 HydrophobicContact CE1-CG 3.77Å; F235-M601 HydrophobicContact CE1-SD 4.04Å; F235-F602 AromaticContact CD1-CD1 3.98Å; F235-F602 HydrophobicContact CD1-CD1 3.98Å; F235-F602 HydrophobicContact CD1-CE1 4.1Å
236	Y	98.6	Very high	95.9	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	152	168.7	79.7	-102.8	0	0	0	111.9	L188 I193 Y194 F196 C238 H247 G248 V249 I267 W269	L188-Y236 HydrophobicContact CD2-CE2 3.87Å; L188-Y236 WeakPolarHBondContact CD2-OH 3.47Å; I193-Y236 HydrophobicContact CD1-CD1 4.26Å; I193-Y236 HydrophobicContact CD1-CD2 3.71Å; I193-Y236 HydrophobicContact CD1-CE2 4.32Å; I193-Y236 HydrophobicContact CD1-CG 3.7Å; I193-Y236 HydrophobicContact CG1-CD2 3.79Å; I193-Y236 HydrophobicContact CG1-CG 4.02Å; Y194-Y236 CarbonylContact O-C 3.44Å; Y194-Y236 VanDerWaalsContact O-CA 3.24Å; Y194-Y236 WeakPolarHBondContact O-CA 3.36Å; Y194-Y236 WeakPolarHBondContact O-CB 3.3Å; F196-Y236 HydrophobicContact CE1-CD1 4.17Å; F196-Y236 AromaticContact CZ-CD1 3.83Å; F196-Y236 HydrophobicContact CZ-CD1 3.83Å; F196-Y236 HydrophobicContact CZ-CG 4.2Å; Y236-C238 HydrophobicContact CD2-CB 4.01Å; Y236-C238 HydrophobicContact CE2-CB 3.71Å; Y236-H247 AromaticContact CE2-NE2 3.48Å; Y236-H247 WeakPolarHBondContact CE2-NE2 3.38Å; Y236-H247 AromaticContact CZ-NE2 3.72Å; Y236-H247 PolarHBondContact OH-NE2 3.15Å; Y236-H247 VanDerWaalsContact OH-NE2 3.13Å; Y236-G248 CarbonylContact O-C 3.58Å; Y236-G248 WeakPolarHBondContact O-CA 3.45Å; Y236-V249 HydrophobicContact CD1-CB 3.96Å; Y236-V249 HydrophobicContact CE1-CB 3.42Å; Y236-V249 VanDerWaalsContact CE1-CB 3.42Å; Y236-V249 HydrophobicContact CE1-CG1 4.2Å; Y236-V249 HydrophobicContact CE1-CG2 3.73Å; Y236-V249 HydrophobicContact CE2-CB 4.46Å; Y236-V249 HydrophobicContact CE2-CG2 4.22Å; Y236-V249 VanDerWaalsContact CZ-CG2 3.46Å; Y236-V249 PolarHBondContact N-O 2.79Å; Y236-V249 PolarHBondContact O-N 2.79Å; Y236-V249 WeakPolarHBondContact OH-CG2 3.28Å; Y236-I267 HydrophobicContact CD1-CD1 3.52Å; Y236-I267 HydrophobicContact CE1-CD1 3.25Å; Y236-I267 HydrophobicContact CE2-CD1 4.37Å; Y236-I267 HydrophobicContact CG-CD1 4.16Å; Y236-W269 AromaticContact CD1-CH2 3.98Å; Y236-W269 HydrophobicContact CD1-CH2 3.98Å; Y236-W269 AromaticContact CD1-CZ2 3.76Å; Y236-W269 HydrophobicContact CD1-CZ2 3.76Å; Y236-W269 HydrophobicContact CE1-CH2 4.32Å; Y236-W269 AromaticContact CE1-CZ2 3.65Å; Y236-W269 HydrophobicContact CE1-CZ2 3.65Å
237	L	98.6	Very high	96.8	Very high	1 Å²	1	19.4 Å²	19.4	1%	0.005	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	138.8	165.7	-178.1	152.3	0	0	0	108.9	I193 Y194 F235 V239 P286 V289 M601	I193-L237 WeakPolarHBondContact CA-O 3.29Å; Y194-L237 HydrophobicContact CD2-CD2 3.6Å; Y194-L237 HydrophobicContact CE2-CD2 4.15Å; Y194-L237 HydrophobicContact CG-CD2 4.47Å; Y194-L237 PolarHBondContact N-O 3.13Å; Y194-L237 PolarHBondContact O-N 2.88Å; F235-L237 HydrophobicContact CE1-CB 4.26Å; F235-L237 HydrophobicContact CZ-CB 4.37Å; L237-V239 HydrophobicContact CD2-CG2 4.36Å; L237-P286 HydrophobicContact CD1-CB 3.9Å; L237-P286 HydrophobicContact CD2-CB 4.34Å; L237-V289 HydrophobicContact CD1-CB 4.18Å; L237-V289 HydrophobicContact CD1-CG1 4.09Å; L237-V289 HydrophobicContact CG-CG1 4.36Å; L237-M601 HydrophobicContact CB-SD 3.59Å; L237-M601 VanDerWaalsContact CB-SD 3.59Å; L237-M601 HydrophobicContact CD1-CG 4.44Å; L237-M601 HydrophobicContact CD1-SD 4.02Å; L237-M601 HydrophobicContact CG-SD 4.42Å
238	C	98.5	Very high	97.3	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	132.1	176	-179	0	0	0	0	111	Y192 Y236 S246 H247	Y192-C238 VanDerWaalsContact O-CA 3.24Å; Y192-C238 WeakPolarHBondContact O-CA 3.49Å; Y192-C238 PolarHBondContact O-SG 2.89Å; Y236-C238 HydrophobicContact CD2-CB 4.01Å; Y236-C238 HydrophobicContact CE2-CB 3.71Å; C238-S246 WeakPolarHBondContact O-CA 3.26Å; C238-S246 WeakPolarHBondContact O-CB 3.28Å; C238-H247 VanDerWaalsContact CB-CE1 3.47Å; C238-H247 WeakPolarHBondContact CB-CE1 3.37Å; C238-H247 PolarHBondContact N-O 3.32Å; C238-H247 PolarHBondContact O-N 3.47Å
239	V	98.3	Very high	97.6	Very high	1 Å²	1	14.6 Å²	14.6	1%	0.006	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	118.8	170	177.6	0	0	0	0	108.2	S190 Y192 Y194 L237 N245 L693 W703	S190-V239 VanDerWaalsContact CB-O 3.29Å; S190-V239 WeakPolarHBondContact CB-O 3.34Å; S190-V239 PolarHBondContact OG-O 2.54Å; Y192-V239 PolarHBondContact O-N 3.31Å; Y194-V239 HydrophobicContact CE2-CG2 3.96Å; L237-V239 HydrophobicContact CD2-CG2 4.36Å; V239-N245 CarbonylContact C-O 3.4Å; V239-L693 HydrophobicContact CG2-CD1 4.45Å; V239-W703 HydrophobicContact CG1-CD2 4.44Å; V239-W703 HydrophobicContact CG1-CH2 4.07Å; V239-W703 HydrophobicContact CG1-CZ2 3.66Å
240	E	97.3	Very high	97.8	Very high	3 Å²	3	14.6 Å²	14.6	1%	0.014	7%	0.069	C	C	.	.			trans	-79.7	-36.8	-170.2	-60.1	169.1	-154.3	0	0	113.6	R159 M166 P189 N245 H247	R159-E240 IonicContact CZ-OE1 2.95Å; R159-E240 IonicContact CZ-OE2 2.94Å; R159-E240 IonicContact NE-OE1 2.67Å; R159-E240 PolarHBondContact NE-OE1 3.12Å; R159-E240 IonicContact NE-OE2 3.7Å; R159-E240 PolarHBondContact NE-OE2 2.86Å; R159-E240 IonicContact NH2-OE1 3.45Å; R159-E240 PolarHBondContact NH2-OE1 3.22Å; R159-E240 IonicContact NH2-OE2 3.75Å; M166-E240 WeakPolarHBondContact CG-OE1 3.3Å; P189-E240 HydrophobicContact CB-CB 4.31Å; P189-E240 HydrophobicContact CG-CB 4.11Å; P189-E240 HydrophobicContact CG-CG 3.89Å; E240-N245 HydrophobicContact CB-CB 4.35Å; E240-N245 WeakPolarHBondContact CB-O 3.46Å; E240-N245 PolarHBondContact N-O 3.38Å; E240-H247 WeakPolarHBondContact OE1-CB 3.19Å; E240-H247 IonicContact OE1-CG 2.83Å; E240-H247 PolarHBondContact OE1-N 2.69Å; E240-H247 IonicContact OE1-ND1 2.72Å
241	D	95.6	Very high	97.8	Very high	13 Å²	13	14.7 Å²	14.7	7%	0.07	7%	0.069	C	C	.	.	S	Bend	trans	-156.1	175	-169.1	62.7	37.2	0	0	0	113.6	F243 G244 N245 W703	D241-F243 PolarHBondContact O-N 3.03Å; D241-F243 WeakPolarHBondContact OD1-CB 3.39Å; D241-F243 PolarHBondContact OD1-N 3.01Å; D241-G244 PolarHBondContact O-N 3.08Å; D241-G244 PolarHBondContact OD1-N 2.79Å; D241-N245 VanDerWaalsContact CG-ND2 3.34Å; D241-N245 PolarHBondContact OD1-N 2.81Å; D241-N245 PolarHBondContact OD1-ND2 2.77Å; D241-N245 PolarHBondContact OD2-ND2 2.74Å; D241-W703 WeakPolarHBondContact O-CH2 3.19Å; D241-W703 WeakPolarHBondContact O-CZ2 3.35Å
242	E	95.2	Very high	97.8	Very high	118 Å²	118	14.8 Å²	14.8	55%	0.551	7%	0.069	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.3	-14.6	-178.8	68.3	-86.2	-163.4	0	0	115.1	G244	E242-G244 VanDerWaalsContact C-N 3.27Å
243	F	95.9	Very high	97.8	Very high	138 Å²	138	15 Å²	15	61%	0.605	7%	0.07	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.7	-3.6	175.4	-55.5	-71.8	0	0	0	112	D241 N245	D241-F243 PolarHBondContact O-N 3.03Å; D241-F243 WeakPolarHBondContact OD1-CB 3.39Å; D241-F243 PolarHBondContact OD1-N 3.01Å; F243-N245 VanDerWaalsContact C-N 3.33Å
244	G	96.6	Very high	97.8	Very high	2 Å²	2	15 Å²	15	2%	0.021	7%	0.07	C	C	.	.			trans	80.6	15.1	179.1	0	0	0	0	0	113.6	D241 E242 S246 P697	D241-G244 PolarHBondContact O-N 3.08Å; D241-G244 PolarHBondContact OD1-N 2.79Å; E242-G244 VanDerWaalsContact C-N 3.27Å; G244-S246 PolarHBondContact O-N 2.88Å; G244-S246 PolarHBondContact O-OG 3.02Å; G244-P697 WeakPolarHBondContact CA-O 3.27Å
245	N	98.1	Very high	97.8	Very high	28 Å²	28	15 Å²	15	15%	0.15	7%	0.07	C	C	.	.			trans	-57.4	136.8	169.8	-66.9	-72.1	0	0	0	108.4	T162 V239 E240 D241 F243 P284	T162-N245 WeakPolarHBondContact CG2-ND2 3.39Å; V239-N245 CarbonylContact C-O 3.4Å; E240-N245 HydrophobicContact CB-CB 4.35Å; E240-N245 WeakPolarHBondContact CB-O 3.46Å; E240-N245 PolarHBondContact N-O 3.38Å; D241-N245 VanDerWaalsContact CG-ND2 3.34Å; D241-N245 PolarHBondContact OD1-N 2.81Å; D241-N245 PolarHBondContact OD1-ND2 2.77Å; D241-N245 PolarHBondContact OD2-ND2 2.74Å; F243-N245 VanDerWaalsContact C-N 3.33Å; N245-P284 CarbonylContact C-O 3.43Å; N245-P284 WeakPolarHBondContact CA-O 3.39Å
246	S	98.4	Very high	97.7	Very high	0 Å²	0	15 Å²	15	0%	0	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	149.9	-172.3	-57.7	0	0	0	0	110.9	R159 C238 G244 G283 P284 P286	R159-S246 PolarHBondContact NH2-O 3.31Å; C238-S246 WeakPolarHBondContact O-CA 3.26Å; C238-S246 WeakPolarHBondContact O-CB 3.28Å; G244-S246 PolarHBondContact O-N 2.88Å; G244-S246 PolarHBondContact O-OG 3.02Å; S246-G283 WeakPolarHBondContact O-CA 3.36Å; S246-P284 PolarHBondContact N-O 2.8Å; S246-P286 WeakPolarHBondContact OG-CD 3.35Å; S246-P286 WeakPolarHBondContact OG-CG 3.47Å
247	H	98.6	Very high	97.7	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	168.1	170.1	74.7	-83.8	0	0	0	110.3	M166 Y236 C238 E240 F281	M166-H247 HydrophobicContact CB-CB 4.02Å; M166-H247 HydrophobicContact CG-CB 3.88Å; M166-H247 PolarHBondContact O-CE1 3.38Å; M166-H247 VanDerWaalsContact O-CE1 3.31Å; M166-H247 PolarHBondContact O-NE2 2.79Å; M166-H247 HydrophobicContact SD-CB 3.89Å; Y236-H247 AromaticContact CE2-NE2 3.48Å; Y236-H247 WeakPolarHBondContact CE2-NE2 3.38Å; Y236-H247 AromaticContact CZ-NE2 3.72Å; Y236-H247 PolarHBondContact OH-NE2 3.15Å; Y236-H247 VanDerWaalsContact OH-NE2 3.13Å; C238-H247 VanDerWaalsContact CB-CE1 3.47Å; C238-H247 WeakPolarHBondContact CB-CE1 3.37Å; C238-H247 PolarHBondContact N-O 3.32Å; C238-H247 PolarHBondContact O-N 3.47Å; E240-H247 WeakPolarHBondContact OE1-CB 3.19Å; E240-H247 IonicContact OE1-CG 2.83Å; E240-H247 PolarHBondContact OE1-N 2.69Å; E240-H247 IonicContact OE1-ND1 2.72Å; H247-F281 CarbonylContact C-O 3.57Å; H247-F281 WeakPolarHBondContact CA-O 3.49Å; H247-F281 VanDerWaalsContact CB-O 3.31Å; H247-F281 WeakPolarHBondContact CB-O 3.36Å
248	G	98.6	Very high	97.5	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	157.3	168.7	0	0	0	0	0	111.6	Y236 F281	Y236-G248 CarbonylContact O-C 3.58Å; Y236-G248 WeakPolarHBondContact O-CA 3.45Å; G248-F281 PolarHBondContact N-O 3.46Å; G248-F281 PolarHBondContact O-N 2.75Å
249	V	98.8	Very high	97.4	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	129.8	173.3	-178.3	0	0	0	0	109.4	F167 F235 Y236 W269 F278 F279 I280	F167-V249 HydrophobicContact CD2-CG1 4.36Å; F167-V249 HydrophobicContact CD2-CG2 4.13Å; F167-V249 HydrophobicContact CE2-CG1 4.25Å; F235-V249 VanDerWaalsContact CA-O 3.28Å; F235-V249 WeakPolarHBondContact CA-O 3.2Å; F235-V249 WeakPolarHBondContact CD2-O 3.48Å; Y236-V249 HydrophobicContact CD1-CB 3.96Å; Y236-V249 HydrophobicContact CE1-CB 3.42Å; Y236-V249 VanDerWaalsContact CE1-CB 3.42Å; Y236-V249 HydrophobicContact CE1-CG1 4.2Å; Y236-V249 HydrophobicContact CE1-CG2 3.73Å; Y236-V249 HydrophobicContact CE2-CB 4.46Å; Y236-V249 HydrophobicContact CE2-CG2 4.22Å; Y236-V249 VanDerWaalsContact CZ-CG2 3.46Å; Y236-V249 PolarHBondContact N-O 2.79Å; Y236-V249 PolarHBondContact O-N 2.79Å; Y236-V249 WeakPolarHBondContact OH-CG2 3.28Å; V249-W269 HydrophobicContact CG1-CH2 4.48Å; V249-W269 HydrophobicContact CG1-CZ2 4.01Å; V249-F278 HydrophobicContact CG1-CD1 3.79Å; V249-F279 CarbonylContact C-O 3.51Å; V249-F279 VanDerWaalsContact CA-O 3.25Å; V249-F279 WeakPolarHBondContact CA-O 3.43Å; V249-I280 HydrophobicContact CG2-CG1 4.29Å; V249-I280 HydrophobicContact CG2-CG2 4.35Å
250	L	98.5	Very high	97.3	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	133.4	170.8	166.4	64.2	0	0	0	108.9	P234 F235 M252 F278 F279 F281 L293 I297 V569	P234-L250 HydrophobicContact CG-CD1 3.92Å; P234-L250 WeakPolarHBondContact O-CA 3.16Å; F235-L250 HydrophobicContact CB-CD1 4.21Å; F235-L250 HydrophobicContact CD2-CB 4.04Å; L250-M252 HydrophobicContact CD2-CE 3.76Å; L250-F278 CarbonylContact O-C 3.56Å; L250-F278 VanDerWaalsContact O-CA 3.26Å; L250-F278 WeakPolarHBondContact O-CA 3.4Å; L250-F279 HydrophobicContact CB-CB 4.26Å; L250-F279 HydrophobicContact CD2-CD2 4.38Å; L250-F279 PolarHBondContact N-O 2.97Å; L250-F279 PolarHBondContact O-N 3.3Å; L250-F281 HydrophobicContact CB-CE2 3.81Å; L250-F281 HydrophobicContact CB-CZ 4.38Å; L250-L293 HydrophobicContact CB-CD1 4.42Å; L250-L293 HydrophobicContact CD2-CD1 4Å; L250-I297 HydrophobicContact CD2-CG2 3.91Å; L250-V569 HydrophobicContact CD1-CG1 3.75Å; L250-V569 HydrophobicContact CD1-CG2 4.45Å
251	L	98.5	Very high	97.2	Very high	1 Å²	1	15.1 Å²	15.1	1%	0.005	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	105.1	162.9	174.3	59.2	0	0	0	109.2	P234 N253 M257 W269 L276 F278	P234-L251 HydrophobicContact CB-CB 4.42Å; P234-L251 WeakPolarHBondContact CG-O 3.25Å; P234-L251 PolarHBondContact O-N 3.39Å; L251-N253 VanDerWaalsContact C-N 3.29Å; L251-N253 HydrophobicContact CD1-CB 4.31Å; L251-N253 HydrophobicContact CD2-CB 4.46Å; L251-N253 HydrophobicContact CG-CB 3.97Å; L251-N253 PolarHBondContact O-N 3.26Å; L251-M257 HydrophobicContact CD2-SD 4.33Å; L251-W269 HydrophobicContact CB-CE3 3.91Å; L251-W269 HydrophobicContact CB-CH2 4.17Å; L251-W269 HydrophobicContact CB-CZ3 3.62Å; L251-W269 HydrophobicContact CD2-CD2 4.36Å; L251-W269 HydrophobicContact CD2-CE3 3.64Å; L251-W269 HydrophobicContact CD2-CZ3 4.19Å; L251-W269 HydrophobicContact CG-CE3 4.42Å; L251-L276 HydrophobicContact CD1-CD2 4.38Å; L251-F278 HydrophobicContact CB-CD1 4.11Å; L251-F278 HydrophobicContact CB-CE1 3.95Å; L251-F278 HydrophobicContact CD1-CD1 4.09Å; L251-F278 HydrophobicContact CD1-CE1 3.88Å; L251-F278 HydrophobicContact CD1-CE2 4.47Å; L251-F278 HydrophobicContact CD1-CG 4.48Å; L251-F278 HydrophobicContact CD1-CZ 4.09Å; L251-F278 HydrophobicContact CD2-CE1 4.41Å; L251-F278 HydrophobicContact CG-CE1 4.28Å
252	M	97.6	Very high	97.2	Very high	6 Å²	6	14.5 Å²	14.5	3%	0.03	7%	0.068	C	C	.	.			trans	-75.7	79	179	-172.6	63.3	77.2	0	0	111	V123 V128 V130 L250 D277 F279 I297 F568 V569	V123-M252 HydrophobicContact CB-CG 4.11Å; V123-M252 HydrophobicContact CB-SD 4.24Å; V123-M252 HydrophobicContact CG1-SD 4.17Å; V123-M252 HydrophobicContact CG2-CG 4.18Å; V123-M252 HydrophobicContact CG2-SD 4.27Å; V128-M252 HydrophobicContact CG1-CE 3.81Å; V128-M252 HydrophobicContact CG1-SD 4.28Å; V130-M252 HydrophobicContact CG2-CE 4.35Å; L250-M252 HydrophobicContact CD2-CE 3.76Å; M252-D277 HydrophobicContact CB-CB 4.15Å; M252-D277 PolarHBondContact N-O 3.07Å; M252-F279 HydrophobicContact CB-CD2 4.19Å; M252-F279 HydrophobicContact CB-CE2 3.9Å; M252-F279 HydrophobicContact CG-CE2 4.45Å; M252-I297 HydrophobicContact CE-CG2 4.08Å; M252-F568 HydrophobicContact SD-CE1 4.18Å; M252-V569 HydrophobicContact CE-CG2 3.97Å; M252-V569 HydrophobicContact SD-CG2 3.77Å
253	N	98	Very high	97.1	Very high	3 Å²	3	11.6 Å²	11.6	2%	0.016	6%	0.059	C	C	.	.			trans	-145.3	139.1	-179.2	-169.7	-53.7	0	0	0	108.5	L251 N255 M257 T271 G273 I275 F568	L251-N253 VanDerWaalsContact C-N 3.29Å; L251-N253 HydrophobicContact CD1-CB 4.31Å; L251-N253 HydrophobicContact CD2-CB 4.46Å; L251-N253 HydrophobicContact CG-CB 3.97Å; L251-N253 PolarHBondContact O-N 3.26Å; N253-N255 VanDerWaalsContact OD1-CB 3.3Å; N253-N255 WeakPolarHBondContact OD1-CB 3.46Å; N253-N255 PolarHBondContact OD1-N 3.21Å; N253-N255 PolarHBondContact OD1-OD1 3.09Å; N253-M257 HydrophobicContact CB-CE 4.43Å; N253-M257 WeakPolarHBondContact O-CE 3.18Å; N253-T271 PolarHBondContact OD1-OG1 3.13Å; N253-G273 PolarHBondContact ND2-O 2.76Å; N253-I275 PolarHBondContact ND2-O 2.9Å; N253-F568 WeakPolarHBondContact O-CZ 3.4Å
254	S	97.4	Very high	96.9	Very high	0 Å²	0	7.1 Å²	7.1	0%	0	4%	0.043	C	C	.	.			trans	-110.1	-3.6	-178.3	59.7	0	0	0	0	114.3	Y121 N534 S537	Y121-S254 VanDerWaalsContact CE1-OG 3.25Å; Y121-S254 WeakPolarHBondContact CE1-OG 3.19Å; Y121-S254 PolarHBondContact OH-OG 2.88Å; S254-N534 PolarHBondContact OG-O 2.73Å; S254-S537 WeakPolarHBondContact O-CB 3.38Å; S254-S537 PolarHBondContact O-OG 3.33Å
255	N	97.7	Very high	96.8	Very high	0 Å²	0	8.6 Å²	8.6	0%	0	5%	0.052	C	C	.	.	S	Bend	trans	-66.3	158.8	174.7	-68	91.4	0	0	0	110.8	N253 M257 G273 G274 Y533 N534	N253-N255 VanDerWaalsContact OD1-CB 3.3Å; N253-N255 WeakPolarHBondContact OD1-CB 3.46Å; N253-N255 PolarHBondContact OD1-N 3.21Å; N253-N255 PolarHBondContact OD1-OD1 3.09Å; N255-M257 VanDerWaalsContact O-CE 3.28Å; N255-M257 WeakPolarHBondContact O-CE 3.14Å; N255-M257 PolarHBondContact O-N 3.19Å; N255-G273 VanDerWaalsContact CG-CA 3.48Å; N255-G274 PolarHBondContact OD1-N 3.45Å; N255-Y533 PolarHBondContact ND2-O 2.96Å; N255-N534 WeakPolarHBondContact ND2-CA 3.46Å; N255-N534 PolarHBondContact ND2-OD1 3.18Å; N255-N534 PolarHBondContact OD1-OD1 3.39Å
256	A	97.4	Very high	96.7	Very high	2 Å²	2	7.2 Å²	7.2	2%	0.017	5%	0.045	C	C	.	.	S	Bend	trans	-55.6	129	170.9	0	0	0	0	0	109.4	W216 L272 P506 L516	W216-A256 HydrophobicContact CD2-CB 3.78Å; W216-A256 VanDerWaalsContact CE3-CA 3.44Å; W216-A256 HydrophobicContact CE3-CB 3.54Å; W216-A256 HydrophobicContact CG-CB 4.27Å; W216-A256 HydrophobicContact CH2-CB 4.38Å; W216-A256 HydrophobicContact CZ3-CB 3.89Å; A256-L272 HydrophobicContact CB-CD1 3.99Å; A256-L272 HydrophobicContact CB-CG 4.38Å; A256-L272 WeakPolarHBondContact O-CG 3.02Å; A256-L272 PolarHBondContact O-N 2.84Å; A256-P506 HydrophobicContact CB-CG 4.11Å; A256-L516 HydrophobicContact CB-CD2 3.68Å
257	M	97.4	Very high	96.6	Very high	1 Å²	1	7.2 Å²	7.2	1%	0.005	5%	0.045	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	168.6	-173.9	73.6	-175.4	98.6	0	0	110.9	P214 M215 V232 P234 L251 N253 N255 R270 P506	P214-M257 CarbonylContact C-O 3.57Å; M215-M257 HydrophobicContact CB-CG 3.69Å; M215-M257 HydrophobicContact CB-SD 4.47Å; M215-M257 HydrophobicContact CE-CG 3.79Å; M215-M257 HydrophobicContact CE-SD 3.88Å; M215-M257 PolarHBondContact N-O 3.12Å; M215-M257 PolarHBondContact O-N 2.88Å; V232-M257 HydrophobicContact CG1-CE 4.31Å; P234-M257 HydrophobicContact CB-CE 4.09Å; P234-M257 HydrophobicContact CB-SD 3.68Å; P234-M257 HydrophobicContact CG-CE 4.23Å; P234-M257 HydrophobicContact CG-SD 4.43Å; L251-M257 HydrophobicContact CD2-SD 4.33Å; N253-M257 HydrophobicContact CB-CE 4.43Å; N253-M257 WeakPolarHBondContact O-CE 3.18Å; N255-M257 VanDerWaalsContact O-CE 3.28Å; N255-M257 WeakPolarHBondContact O-CE 3.14Å; N255-M257 PolarHBondContact O-N 3.19Å; M257-R270 CarbonylContact C-O 3.5Å; M257-R270 WeakPolarHBondContact CA-O 3.47Å; M257-R270 WeakPolarHBondContact CB-O 3.38Å; M257-P506 WeakPolarHBondContact O-CB 3.28Å
258	E	96	Very high	96.6	Very high	2 Å²	2	7.3 Å²	7.3	1%	0.009	5%	0.046	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	166.1	163.2	70.3	-173.7	-170.6	0	0	110.1	W213 P214 R270 Y504 P506 K507	W213-E258 VanDerWaalsContact O-CA 3.32Å; W213-E258 WeakPolarHBondContact O-CA 3.27Å; P214-E258 HydrophobicContact CB-CB 4.47Å; E258-R270 HydrophobicContact CG-CB 4.23Å; E258-R270 PolarHBondContact N-O 2.92Å; E258-R270 PolarHBondContact O-N 2.88Å; E258-R270 IonicContact OE1-NH1 2.65Å; E258-R270 PolarHBondContact OE1-NH1 3.38Å; E258-Y504 WeakPolarHBondContact CG-OH 3.1Å; E258-Y504 PolarHBondContact OE1-OH 2.93Å; E258-P506 HydrophobicContact CB-CB 4.08Å; E258-P506 HydrophobicContact CG-CB 4.39Å; E258-K507 WeakPolarHBondContact OE2-CG 3.31Å; E258-K507 PolarHBondContact OE2-N 2.98Å
259	V	96.3	Very high	96.5	Very high	0 Å²	0	7.4 Å²	7.4	0%	0	5%	0.046	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	142.8	165.3	-67.2	0	0	0	0	109.5	F196 R212 W213 M215 I267 T268 W269	F196-V259 HydrophobicContact CD1-CG1 4.24Å; F196-V259 HydrophobicContact CD1-CG2 3.85Å; F196-V259 HydrophobicContact CD2-CG2 3.38Å; F196-V259 HydrophobicContact CE1-CB 4.24Å; F196-V259 HydrophobicContact CE1-CG1 3.7Å; F196-V259 HydrophobicContact CE1-CG2 3.81Å; F196-V259 HydrophobicContact CE2-CB 4.14Å; F196-V259 HydrophobicContact CE2-CG1 4.48Å; F196-V259 HydrophobicContact CE2-CG2 3.35Å; F196-V259 HydrophobicContact CG-CG2 3.63Å; F196-V259 HydrophobicContact CZ-CB 3.95Å; F196-V259 HydrophobicContact CZ-CG1 3.83Å; F196-V259 HydrophobicContact CZ-CG2 3.56Å; R212-V259 CarbonylContact C-O 3.47Å; R212-V259 VanDerWaalsContact CA-O 3.28Å; R212-V259 WeakPolarHBondContact CA-O 3.44Å; W213-V259 HydrophobicContact CB-CG2 3.67Å; W213-V259 HydrophobicContact CG-CG2 4.38Å; W213-V259 PolarHBondContact N-O 2.83Å; W213-V259 PolarHBondContact O-N 2.76Å; W213-V259 VanDerWaalsContact O-N 3.14Å; M215-V259 HydrophobicContact CE-CG1 4.02Å; M215-V259 HydrophobicContact CE-CG2 4.31Å; V259-I267 HydrophobicContact CB-CG2 3.93Å; V259-I267 HydrophobicContact CG1-CG2 4.1Å; V259-T268 CarbonylContact C-O 3.56Å; V259-T268 VanDerWaalsContact CA-O 3.3Å; V259-T268 WeakPolarHBondContact CA-O 3.2Å; V259-W269 HydrophobicContact CG1-CD2 3.79Å; V259-W269 HydrophobicContact CG1-CE3 3.25Å; V259-W269 HydrophobicContact CG1-CG 4.47Å; V259-W269 HydrophobicContact CG1-CH2 4.41Å; V259-W269 HydrophobicContact CG1-CZ3 3.6Å
260	W	94.5	Very high	96.4	Very high	4 Å²	4	7.4 Å²	7.4	2%	0.015	5%	0.046	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	118.3	179.2	-174.2	42.5	0	0	0	110.3	D29 P58 W210 R211 R212 I267 T268	D29-W260 HydrophobicContact CB-CH2 3.76Å; D29-W260 HydrophobicContact CB-CZ3 3.5Å; D29-W260 VanDerWaalsContact CB-CZ3 3.5Å; P58-W260 HydrophobicContact CB-CH2 3.99Å; P58-W260 HydrophobicContact CG-CH2 3.53Å; P58-W260 HydrophobicContact CG-CZ2 4.5Å; P58-W260 HydrophobicContact CG-CZ3 4.22Å; W210-W260 AromaticContact CE3-CE2 3.83Å; W210-W260 HydrophobicContact CE3-CH2 4.11Å; W210-W260 AromaticContact CE3-CZ2 3.5Å; W210-W260 HydrophobicContact CE3-CZ2 3.5Å; W210-W260 VanDerWaalsContact CE3-CZ2 3.5Å; W210-W260 HydrophobicContact CZ3-CH2 4.14Å; W210-W260 AromaticContact CZ3-CZ2 4Å; W210-W260 HydrophobicContact CZ3-CZ2 4Å; W210-W260 PolarHBondContact O-NE1 3.35Å; R211-W260 WeakPolarHBondContact O-CA 3.27Å; R212-W260 HydrophobicContact CG-CB 4.28Å; R212-W260 VanDerWaalsContact CG-CD1 3.4Å; R212-W260 HydrophobicContact CG-CG 4.01Å; W260-I267 WeakPolarHBondContact O-CA 3.41Å; W260-T268 PolarHBondContact N-O 2.83Å; W260-T268 PolarHBondContact O-N 3.12Å
261	L	95.9	Very high	96.4	Very high	0 Å²	0	7.4 Å²	7.4	0%	0	5%	0.046	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	141.3	-175.4	-57.4	179.6	0	0	0	110.7	I193 F196 R206 I208 W210 R211 A266 I267	I193-L261 HydrophobicContact CD1-CD2 4.17Å; I193-L261 HydrophobicContact CG2-CD1 4.34Å; F196-L261 HydrophobicContact CE2-CD2 4.2Å; R206-L261 HydrophobicContact CB-CD1 3.91Å; I208-L261 HydrophobicContact CB-CB 4.09Å; I208-L261 HydrophobicContact CG2-CB 4.32Å; I208-L261 HydrophobicContact CG2-CD1 4.17Å; I208-L261 CarbonylContact O-C 3.55Å; I208-L261 VanDerWaalsContact O-C 3.22Å; I208-L261 VanDerWaalsContact O-O 3.1Å; W210-L261 CarbonylContact C-O 3.48Å; W210-L261 WeakPolarHBondContact CA-O 3.26Å; W210-L261 PolarHBondContact N-O 3.37Å; W210-L261 VanDerWaalsContact N-O 3.08Å; R211-L261 PolarHBondContact N-O 3.09Å; R211-L261 PolarHBondContact O-N 3.26Å; L261-A266 WeakPolarHBondContact CA-O 3.19Å; L261-I267 HydrophobicContact CD2-CB 4.26Å; L261-I267 HydrophobicContact CD2-CD1 4.19Å; L261-I267 HydrophobicContact CD2-CG1 3.67Å; L261-I267 HydrophobicContact CD2-CG2 4.14Å
262	Q	94.9	Very high	96.3	Very high	0 Å²	0	7.4 Å²	7.4	0%	0	5%	0.046	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	148.4	-177.2	-50.4	-174.8	22	0	0	112	I27 I208 W210 T264 P265 A266 T268	I27-Q262 PolarHBondContact O-NE2 3.05Å; I27-Q262 PolarHBondContact O-OE1 2.93Å; I208-Q262 CarbonylContact O-C 3.51Å; I208-Q262 VanDerWaalsContact O-CA 3.25Å; I208-Q262 WeakPolarHBondContact O-CA 3.49Å; I208-Q262 PolarHBondContact O-N 3.39Å; W210-Q262 HydrophobicContact CE3-CG 4.22Å; W210-Q262 HydrophobicContact CH2-CB 4.41Å; W210-Q262 HydrophobicContact CH2-CG 4.43Å; W210-Q262 HydrophobicContact CZ3-CB 4.15Å; W210-Q262 HydrophobicContact CZ3-CG 3.78Å; Q262-T264 PolarHBondContact O-N 2.93Å; Q262-P265 VanDerWaalsContact O-CA 3.23Å; Q262-P265 WeakPolarHBondContact O-CA 3.5Å; Q262-A266 HydrophobicContact CB-CB 4.19Å; Q262-A266 HydrophobicContact CG-CB 4.37Å; Q262-A266 PolarHBondContact N-O 2.05Å; Q262-A266 PolarHBondContact O-N 2.82Å; Q262-T268 PolarHBondContact NE2-OG1 2.81Å
263	P	94.7	Very high	96.2	Very high	57 Å²	57	7.4 Å²	7.4	37%	0.37	5%	0.047	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-19.5	175.6	-25.7	34.2	0	0	0	116.2	I208 N209 W210 P265	I208-P263 WeakPolarHBondContact O-CD 3.43Å; N209-P263 HydrophobicContact CB-CG 4.5Å; N209-P263 VanDerWaalsContact OD1-CG 3.27Å; N209-P263 WeakPolarHBondContact OD1-CG 3.21Å; W210-P263 HydrophobicContact CZ2-CG 4.42Å; P263-P265 WeakPolarHBondContact O-CD 3.12Å
264	T	91.2	Very high	96.2	Very high	44 Å²	44	7.5 Å²	7.5	27%	0.27	5%	0.049	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.3	41.2	177.3	44.5	0	0	0	0	112.4	P24 Q262	P24-T264 HydrophobicContact CB-CG2 4.15Å; Q262-T264 PolarHBondContact O-N 2.93Å
265	P	94.1	Very high	96.2	Very high	32 Å²	32	7.6 Å²	7.6	21%	0.208	5%	0.049	C	C	.	.	T	Hydrogen-bonded Turn		-14.3	107.7	-128.5	-29.8	39.1	0	0	0	114.8	L188 S190 I208 Q262 P263	L188-P265 HydrophobicContact CB-CB 3.82Å; L188-P265 WeakPolarHBondContact CB-O 3.4Å; L188-P265 HydrophobicContact CD1-CB 4.4Å; L188-P265 PolarHBondContact N-O 2.75Å; S190-P265 VanDerWaalsContact O-CB 3.23Å; S190-P265 WeakPolarHBondContact O-CB 3.47Å; I208-P265 HydrophobicContact CD1-CB 4.18Å; I208-P265 HydrophobicContact CD1-CG 3.9Å; Q262-P265 VanDerWaalsContact O-CA 3.23Å; Q262-P265 WeakPolarHBondContact O-CA 3.5Å; P263-P265 WeakPolarHBondContact O-CD 3.12Å
266	A	95.9	Very high	96.2	Very high	0 Å²	0	7.6 Å²	7.6	0%	0	5%	0.049	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	159.4	176.3	0	0	0	0	0	111.4	I26 T186 L261 Q262	I26-A266 HydrophobicContact CD1-CB 4.03Å; I26-A266 HydrophobicContact CG1-CB 4.03Å; I26-A266 HydrophobicContact CG2-CB 4.26Å; T186-A266 WeakPolarHBondContact O-CA 3.47Å; L261-A266 WeakPolarHBondContact CA-O 3.19Å; Q262-A266 HydrophobicContact CB-CB 4.19Å; Q262-A266 HydrophobicContact CG-CB 4.37Å; Q262-A266 PolarHBondContact N-O 2.05Å; Q262-A266 PolarHBondContact O-N 2.82Å
267	I	97	Very high	96.2	Very high	0 Å²	0	7.7 Å²	7.7	0%	0	5%	0.05	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	127.1	174.3	-48.2	-174.6	0	0	0	108.1	S185 T186 L188 I193 F196 Y236 V259 W260 L261 W269	S185-I267 CarbonylContact C-O 3.52Å; S185-I267 WeakPolarHBondContact CA-O 3.5Å; T186-I267 PolarHBondContact N-O 2.88Å; T186-I267 PolarHBondContact O-N 3.39Å; L188-I267 HydrophobicContact CD1-CD1 4.01Å; L188-I267 HydrophobicContact CD1-CG1 3.61Å; L188-I267 HydrophobicContact CD2-CD1 3.82Å; L188-I267 HydrophobicContact CD2-CG1 4.01Å; L188-I267 HydrophobicContact CG-CD1 4.21Å; L188-I267 HydrophobicContact CG-CG1 3.86Å; I193-I267 HydrophobicContact CD1-CD1 3.41Å; I193-I267 VanDerWaalsContact CD1-CD1 3.41Å; I193-I267 HydrophobicContact CD1-CG1 4.19Å; F196-I267 HydrophobicContact CZ-CD1 4.14Å; F196-I267 HydrophobicContact CZ-CG2 4.4Å; Y236-I267 HydrophobicContact CD1-CD1 3.52Å; Y236-I267 HydrophobicContact CE1-CD1 3.25Å; Y236-I267 HydrophobicContact CE2-CD1 4.37Å; Y236-I267 HydrophobicContact CG-CD1 4.16Å; V259-I267 HydrophobicContact CB-CG2 3.93Å; V259-I267 HydrophobicContact CG1-CG2 4.1Å; W260-I267 WeakPolarHBondContact O-CA 3.41Å; L261-I267 HydrophobicContact CD2-CB 4.26Å; L261-I267 HydrophobicContact CD2-CD1 4.19Å; L261-I267 HydrophobicContact CD2-CG1 3.67Å; L261-I267 HydrophobicContact CD2-CG2 4.14Å; I267-W269 HydrophobicContact CG2-CD2 4.26Å; I267-W269 HydrophobicContact CG2-CG 4.4Å; I267-W269 HydrophobicContact CG2-CZ2 4.49Å
268	T	97.2	Very high	96.3	Very high	2 Å²	2	7.7 Å²	7.7	1%	0.012	5%	0.049	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	121.2	163.7	-54.9	0	0	0	0	108.5	Q183 S185 V259 W260 Q262 R270	Q183-T268 HydrophobicContact CG-CG2 3.71Å; S185-T268 WeakPolarHBondContact OG-CB 3.45Å; S185-T268 WeakPolarHBondContact OG-CG2 3.33Å; S185-T268 PolarHBondContact OG-OG1 2.75Å; V259-T268 CarbonylContact C-O 3.56Å; V259-T268 VanDerWaalsContact CA-O 3.3Å; V259-T268 WeakPolarHBondContact CA-O 3.2Å; W260-T268 PolarHBondContact N-O 2.83Å; W260-T268 PolarHBondContact O-N 3.12Å; Q262-T268 PolarHBondContact NE2-OG1 2.81Å; T268-R270 HydrophobicContact CG2-CG 4.33Å
269	W	97.7	Very high	96.4	Very high	1 Å²	1	7.6 Å²	7.6	0%	0.004	5%	0.049	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	132.3	174.7	-59.3	87.2	0	0	0	109.4	Q183 T184 F196 Y236 V249 L251 V259 I267 F278	Q183-W269 VanDerWaalsContact CA-O 3.25Å; Q183-W269 WeakPolarHBondContact CA-O 3.48Å; T184-W269 HydrophobicContact CG2-CB 4.37Å; T184-W269 PolarHBondContact N-O 2.81Å; T184-W269 VanDerWaalsContact N-O 3.13Å; T184-W269 PolarHBondContact O-N 3.26Å; F196-W269 AromaticContact CE1-CH2 3.62Å; F196-W269 HydrophobicContact CE1-CH2 3.62Å; F196-W269 HydrophobicContact CE1-CZ2 4.43Å; F196-W269 AromaticContact CE1-CZ3 3.73Å; F196-W269 HydrophobicContact CE1-CZ3 3.73Å; F196-W269 HydrophobicContact CZ-CH2 4.19Å; F196-W269 HydrophobicContact CZ-CZ3 4.49Å; Y236-W269 AromaticContact CD1-CH2 3.98Å; Y236-W269 HydrophobicContact CD1-CH2 3.98Å; Y236-W269 AromaticContact CD1-CZ2 3.76Å; Y236-W269 HydrophobicContact CD1-CZ2 3.76Å; Y236-W269 HydrophobicContact CE1-CH2 4.32Å; Y236-W269 AromaticContact CE1-CZ2 3.65Å; Y236-W269 HydrophobicContact CE1-CZ2 3.65Å; V249-W269 HydrophobicContact CG1-CH2 4.48Å; V249-W269 HydrophobicContact CG1-CZ2 4.01Å; L251-W269 HydrophobicContact CB-CE3 3.91Å; L251-W269 HydrophobicContact CB-CH2 4.17Å; L251-W269 HydrophobicContact CB-CZ3 3.62Å; L251-W269 HydrophobicContact CD2-CD2 4.36Å; L251-W269 HydrophobicContact CD2-CE3 3.64Å; L251-W269 HydrophobicContact CD2-CZ3 4.19Å; L251-W269 HydrophobicContact CG-CE3 4.42Å; V259-W269 HydrophobicContact CG1-CD2 3.79Å; V259-W269 HydrophobicContact CG1-CE3 3.25Å; V259-W269 HydrophobicContact CG1-CG 4.47Å; V259-W269 HydrophobicContact CG1-CH2 4.41Å; V259-W269 HydrophobicContact CG1-CZ3 3.6Å; I267-W269 HydrophobicContact CG2-CD2 4.26Å; I267-W269 HydrophobicContact CG2-CG 4.4Å; I267-W269 HydrophobicContact CG2-CZ2 4.49Å; W269-F278 HydrophobicContact CB-CZ 4.39Å; W269-F278 AromaticContact CD1-CZ 3.97Å; W269-F278 AromaticContact CD2-CE1 3.78Å; W269-F278 HydrophobicContact CD2-CE1 3.78Å; W269-F278 HydrophobicContact CD2-CZ 4.27Å; W269-F278 AromaticContact CE2-CE1 3.66Å; W269-F278 HydrophobicContact CE3-CE1 4.3Å; W269-F278 AromaticContact CG-CE1 3.97Å; W269-F278 HydrophobicContact CG-CE1 3.97Å; W269-F278 AromaticContact CG-CZ 3.98Å; W269-F278 HydrophobicContact CG-CZ 3.98Å; W269-F278 HydrophobicContact CZ2-CE1 4.02Å; W269-F278 AromaticContact NE1-CE1 3.84Å
270	R	97.2	Very high	96.5	Very high	1 Å²	1	7.6 Å²	7.6	0%	0.004	5%	0.049	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	126.8	173.3	-68.8	175.8	-172.7	155	-5.5	110.7	D29 L182 Q183 M257 E258 T268 Y504	D29-R270 VanDerWaalsContact CB-NH2 3.26Å; D29-R270 IonicContact OD2-CZ 2.71Å; D29-R270 IonicContact OD2-NH1 3.68Å; D29-R270 IonicContact OD2-NH2 3.51Å; D29-R270 PolarHBondContact OD2-NH2 2.7Å; L182-R270 VanDerWaalsContact O-CA 3.28Å; L182-R270 WeakPolarHBondContact O-CA 3.33Å; Q183-R270 HydrophobicContact CB-CG 4.33Å; Q183-R270 HydrophobicContact CG-CG 4.01Å; M257-R270 CarbonylContact C-O 3.5Å; M257-R270 WeakPolarHBondContact CA-O 3.47Å; M257-R270 WeakPolarHBondContact CB-O 3.38Å; E258-R270 HydrophobicContact CG-CB 4.23Å; E258-R270 PolarHBondContact N-O 2.92Å; E258-R270 PolarHBondContact O-N 2.88Å; E258-R270 IonicContact OE1-NH1 2.65Å; E258-R270 PolarHBondContact OE1-NH1 3.38Å; T268-R270 HydrophobicContact CG2-CG 4.33Å; R270-Y504 HydrophobicContact CB-CE1 4.03Å; R270-Y504 WeakPolarHBondContact CB-OH 3.43Å; R270-Y504 WeakPolarHBondContact CD-OH 3.31Å
271	T	97.7	Very high	96.6	Very high	0 Å²	0	7.4 Å²	7.4	0%	0	5%	0.048	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	146.3	175.4	177.3	0	0	0	0	110.3	L182 N253 G273 L276	L182-T271 HydrophobicContact CB-CG2 3.78Å; L182-T271 HydrophobicContact CD1-CG2 4.33Å; L182-T271 HydrophobicContact CD2-CG2 4.16Å; L182-T271 HydrophobicContact CG-CG2 4.31Å; L182-T271 PolarHBondContact N-O 3.02Å; L182-T271 PolarHBondContact O-N 3.03Å; N253-T271 PolarHBondContact OD1-OG1 3.13Å; T271-G273 VanDerWaalsContact C-N 3.28Å; T271-G273 PolarHBondContact O-N 2.91Å; T271-G273 PolarHBondContact OG1-N 2.77Å; T271-G273 PolarHBondContact OG1-O 3.5Å; T271-L276 HydrophobicContact CG2-CD2 4.27Å
272	L	96.7	Very high	96.7	Very high	1 Å²	1	7.4 Å²	7.4	1%	0.005	5%	0.049	C	C	.	.	S	Bend	trans	-78	-9	178.3	-67.6	-167.5	0	0	0	113.8	Q180 A256 P502 Y504 P506 L516 Y533	Q180-L272 CarbonylContact C-O 3.54Å; Q180-L272 WeakPolarHBondContact CA-O 3.22Å; Q180-L272 VanDerWaalsContact O-CD2 3.25Å; Q180-L272 WeakPolarHBondContact O-CD2 3.45Å; A256-L272 HydrophobicContact CB-CD1 3.99Å; A256-L272 HydrophobicContact CB-CG 4.38Å; A256-L272 WeakPolarHBondContact O-CG 3.02Å; A256-L272 PolarHBondContact O-N 2.84Å; L272-P502 HydrophobicContact CD1-CG 3.75Å; L272-Y504 HydrophobicContact CD2-CD1 3.41Å; L272-Y504 VanDerWaalsContact CD2-CD1 3.41Å; L272-Y504 HydrophobicContact CD2-CE1 3.98Å; L272-Y504 HydrophobicContact CD2-CG 4.37Å; L272-Y504 WeakPolarHBondContact CD2-O 3.3Å; L272-P506 HydrophobicContact CD1-CG 4.42Å; L272-P506 HydrophobicContact CG-CG 4.11Å; L272-L516 HydrophobicContact CD1-CD1 3.56Å; L272-L516 HydrophobicContact CD1-CD2 4.02Å; L272-L516 HydrophobicContact CD1-CG 4.3Å; L272-Y533 HydrophobicContact CB-CE1 4.18Å; L272-Y533 WeakPolarHBondContact CB-OH 3.4Å; L272-Y533 HydrophobicContact CD1-CE2 4.44Å
273	G	96.1	Very high	96.8	Very high	6 Å²	6	7.5 Å²	7.5	6%	0.062	5%	0.049	C	C	.	.	S	Bend	trans	-167.6	-170.9	-175.3	0	0	0	0	0	113.9	N253 N255 T271	N253-G273 PolarHBondContact ND2-O 2.76Å; N255-G273 VanDerWaalsContact CG-CA 3.48Å; T271-G273 VanDerWaalsContact C-N 3.28Å; T271-G273 PolarHBondContact O-N 2.91Å; T271-G273 PolarHBondContact OG1-N 2.77Å; T271-G273 PolarHBondContact OG1-O 3.5Å
274	G	96.8	Very high	96.9	Very high	4 Å²	4	7.5 Å²	7.5	4%	0.041	5%	0.049	C	C	.	.	S	Bend	trans	62	-137.9	-176.9	0	0	0	0	0	113	R120 Y121 N255	R120-G274 PolarHBondContact NH1-O 3.32Å; Y121-G274 CarbonylContact O-C 3.56Å; Y121-G274 WeakPolarHBondContact O-CA 3.42Å; N255-G274 PolarHBondContact OD1-N 3.45Å
275	I	97.9	Very high	97.2	Very high	3 Å²	3	8 Å²	8	2%	0.015	5%	0.053	C	C	.	.			trans	-128.7	164.6	-178.6	63.7	160.9	0	0	0	110.2	I113 S114 R120 R122 N253 D277	I113-I275 WeakPolarHBondContact O-CB 3.4Å; S114-I275 VanDerWaalsContact CB-CG2 3.46Å; R120-I275 HydrophobicContact CB-CG2 3.79Å; R122-I275 HydrophobicContact CG-CD1 3.79Å; R122-I275 HydrophobicContact CG-CG1 4.04Å; R122-I275 HydrophobicContact CG-CG2 4.49Å; N253-I275 PolarHBondContact ND2-O 2.9Å; I275-D277 HydrophobicContact CD1-CB 3.8Å; I275-D277 HydrophobicContact CG1-CB 3.98Å; I275-D277 PolarHBondContact O-N 3.49Å
276	L	98.5	Very high	97.4	Very high	0 Å²	0	6.5 Å²	6.5	0%	0	4%	0.043	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	109.5	163.9	-59.7	172.4	0	0	0	107.1	T112 I113 L175 L182 T184 L251 T271 F278	T112-L276 CarbonylContact C-O 3.02Å; T112-L276 WeakPolarHBondContact CA-O 3.31Å; I113-L276 HydrophobicContact CB-CB 4.14Å; I113-L276 HydrophobicContact CB-CD1 4.28Å; I113-L276 HydrophobicContact CD1-CD1 4.08Å; I113-L276 PolarHBondContact N-O 2.63Å; I113-L276 PolarHBondContact O-N 3.13Å; I113-L276 VanDerWaalsContact O-N 3.14Å; L175-L276 HydrophobicContact CD1-CD1 3.93Å; L182-L276 HydrophobicContact CB-CD2 4.3Å; L182-L276 HydrophobicContact CD2-CD2 4.43Å; L182-L276 HydrophobicContact CD2-CG 4.16Å; T184-L276 HydrophobicContact CG2-CD1 3.76Å; T184-L276 HydrophobicContact CG2-CD2 4.39Å; L251-L276 HydrophobicContact CD1-CD2 4.38Å; T271-L276 HydrophobicContact CG2-CD2 4.27Å; L276-F278 HydrophobicContact CB-CD2 4.3Å; L276-F278 HydrophobicContact CB-CE2 3.79Å; L276-F278 HydrophobicContact CD1-CE2 4.48Å; L276-F278 HydrophobicContact CD2-CE2 4.34Å; L276-F278 HydrophobicContact CD2-CZ 4.31Å; L276-F278 HydrophobicContact CG-CE2 4.42Å
277	D	97.5	Very high	97.5	Very high	4 Å²	4	8.8 Å²	8.8	2%	0.021	5%	0.053	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	83.4	-178.9	-170.4	1.5	0	0	0	109.4	R110 T112 M252 I275	R110-D277 IonicContact CZ-OD1 3.97Å; R110-D277 IonicContact CZ-OD2 3.68Å; R110-D277 IonicContact NE-OD1 2.79Å; R110-D277 PolarHBondContact NE-OD1 3.1Å; R110-D277 IonicContact NE-OD2 3.45Å; R110-D277 IonicContact NH2-OD1 2.75Å; R110-D277 IonicContact NH2-OD2 3.66Å; R110-D277 PolarHBondContact NH2-OD2 3.27Å; T112-D277 HydrophobicContact CG2-CB 4.4Å; T112-D277 VanDerWaalsContact CG2-OD1 3.31Å; T112-D277 WeakPolarHBondContact CG2-OD1 3.49Å; M252-D277 HydrophobicContact CB-CB 4.15Å; M252-D277 PolarHBondContact N-O 3.07Å; I275-D277 HydrophobicContact CD1-CB 3.8Å; I275-D277 HydrophobicContact CG1-CB 3.98Å; I275-D277 PolarHBondContact O-N 3.49Å
278	F	98.4	Very high	97.5	Very high	0 Å²	0	9.5 Å²	9.5	0%	0	6%	0.059	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	134.9	-176.2	-66.1	-75.1	0	0	0	111.3	R110 F111 F167 T184 V249 L250 L251 W269 L276 I280	R110-F278 CarbonylContact C-O 3.58Å; R110-F278 VanDerWaalsContact CA-O 3.26Å; R110-F278 WeakPolarHBondContact CA-O 3.42Å; F111-F278 HydrophobicContact CB-CB 4.31Å; F111-F278 AromaticContact CD1-CD2 3.9Å; F111-F278 HydrophobicContact CD1-CD2 3.9Å; F111-F278 HydrophobicContact CE1-CD2 4.39Å; F111-F278 PolarHBondContact N-O 2.89Å; F111-F278 PolarHBondContact O-N 2.66Å; F167-F278 HydrophobicContact CE2-CB 4.5Å; F167-F278 HydrophobicContact CE2-CD1 4.18Å; F167-F278 HydrophobicContact CE2-CD2 4.44Å; F167-F278 HydrophobicContact CE2-CG 4.13Å; F167-F278 HydrophobicContact CZ-CD2 4.12Å; F167-F278 HydrophobicContact CZ-CE2 4.32Å; F167-F278 HydrophobicContact CZ-CG 4.26Å; T184-F278 HydrophobicContact CG2-CE2 3.84Å; T184-F278 HydrophobicContact CG2-CZ 3.72Å; V249-F278 HydrophobicContact CG1-CD1 3.79Å; L250-F278 CarbonylContact O-C 3.56Å; L250-F278 VanDerWaalsContact O-CA 3.26Å; L250-F278 WeakPolarHBondContact O-CA 3.4Å; L251-F278 HydrophobicContact CB-CD1 4.11Å; L251-F278 HydrophobicContact CB-CE1 3.95Å; L251-F278 HydrophobicContact CD1-CD1 4.09Å; L251-F278 HydrophobicContact CD1-CE1 3.88Å; L251-F278 HydrophobicContact CD1-CE2 4.47Å; L251-F278 HydrophobicContact CD1-CG 4.48Å; L251-F278 HydrophobicContact CD1-CZ 4.09Å; L251-F278 HydrophobicContact CD2-CE1 4.41Å; L251-F278 HydrophobicContact CG-CE1 4.28Å; W269-F278 HydrophobicContact CB-CZ 4.39Å; W269-F278 AromaticContact CD1-CZ 3.97Å; W269-F278 AromaticContact CD2-CE1 3.78Å; W269-F278 HydrophobicContact CD2-CE1 3.78Å; W269-F278 HydrophobicContact CD2-CZ 4.27Å; W269-F278 AromaticContact CE2-CE1 3.66Å; W269-F278 HydrophobicContact CE3-CE1 4.3Å; W269-F278 AromaticContact CG-CE1 3.97Å; W269-F278 HydrophobicContact CG-CE1 3.97Å; W269-F278 AromaticContact CG-CZ 3.98Å; W269-F278 HydrophobicContact CG-CZ 3.98Å; W269-F278 HydrophobicContact CZ2-CE1 4.02Å; W269-F278 AromaticContact NE1-CE1 3.84Å; L276-F278 HydrophobicContact CB-CD2 4.3Å; L276-F278 HydrophobicContact CB-CE2 3.79Å; L276-F278 HydrophobicContact CD1-CE2 4.48Å; L276-F278 HydrophobicContact CD2-CE2 4.34Å; L276-F278 HydrophobicContact CD2-CZ 4.31Å; L276-F278 HydrophobicContact CG-CE2 4.42Å; F278-I280 HydrophobicContact CB-CD1 3.95Å
279	F	97.6	Very high	97.6	Very high	0 Å²	0	9.4 Å²	9.4	0%	0	6%	0.059	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	128.1	160	-68.1	-100.3	0	0	0	108.7	F109 R110 V130 V249 L250 M252 F281 I296	F109-F279 CarbonylContact O-C 3.22Å; F109-F279 VanDerWaalsContact O-CA 3.29Å; F109-F279 WeakPolarHBondContact O-CA 3.42Å; R110-F279 HydrophobicContact CB-CD1 4.34Å; R110-F279 HydrophobicContact CB-CE1 4.18Å; R110-F279 HydrophobicContact CG-CD1 4.36Å; R110-F279 HydrophobicContact CG-CE1 3.97Å; R110-F279 HydrophobicContact CG-CE2 4.27Å; R110-F279 HydrophobicContact CG-CZ 3.91Å; V130-F279 HydrophobicContact CG1-CE1 3.64Å; V130-F279 HydrophobicContact CG1-CZ 3.46Å; V130-F279 VanDerWaalsContact CG1-CZ 3.46Å; V130-F279 HydrophobicContact CG2-CZ 4.38Å; V249-F279 CarbonylContact C-O 3.51Å; V249-F279 VanDerWaalsContact CA-O 3.25Å; V249-F279 WeakPolarHBondContact CA-O 3.43Å; L250-F279 HydrophobicContact CB-CB 4.26Å; L250-F279 HydrophobicContact CD2-CD2 4.38Å; L250-F279 PolarHBondContact N-O 2.97Å; L250-F279 PolarHBondContact O-N 3.3Å; M252-F279 HydrophobicContact CB-CD2 4.19Å; M252-F279 HydrophobicContact CB-CE2 3.9Å; M252-F279 HydrophobicContact CG-CE2 4.45Å; F279-F281 HydrophobicContact CB-CE1 4.27Å; F279-F281 HydrophobicContact CB-CE2 3.96Å; F279-F281 HydrophobicContact CB-CZ 3.67Å; F279-I296 HydrophobicContact CD1-CG2 3.87Å; F279-I296 HydrophobicContact CE1-CG2 3.76Å; F279-I296 HydrophobicContact CZ-CG2 4.34Å
280	I	98.2	Very high	97.6	Very high	0 Å²	0	9.4 Å²	9.4	0%	0	6%	0.059	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	118.1	179.3	-55.1	86.8	0	0	0	108	I108 F109 F111 I157 F167 V249 F278	I108-I280 WeakPolarHBondContact CA-O 3.41Å; F109-I280 HydrophobicContact CB-CB 4.29Å; F109-I280 HydrophobicContact CB-CD1 4.39Å; F109-I280 PolarHBondContact N-O 3.04Å; F109-I280 PolarHBondContact O-N 3.03Å; F111-I280 HydrophobicContact CB-CD1 4.07Å; I157-I280 HydrophobicContact CD1-CB 4.23Å; I157-I280 HydrophobicContact CD1-CD1 4.12Å; I157-I280 HydrophobicContact CD1-CG1 4.1Å; I157-I280 HydrophobicContact CD1-CG2 4.28Å; F167-I280 HydrophobicContact CB-CG1 4.27Å; F167-I280 HydrophobicContact CB-CG2 4.47Å; F167-I280 HydrophobicContact CD2-CD1 4.44Å; F167-I280 HydrophobicContact CD2-CG1 3.83Å; F167-I280 HydrophobicContact CE2-CG1 4.43Å; F167-I280 HydrophobicContact CG-CG1 4.17Å; V249-I280 HydrophobicContact CG2-CG1 4.29Å; V249-I280 HydrophobicContact CG2-CG2 4.35Å; F278-I280 HydrophobicContact CB-CD1 3.95Å
281	F	98	Very high	97.6	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	113.1	-177.2	-53.4	-75.6	0	0	0	109.4	I108 F235 H247 G248 L250 F279 G283 V289 Q292 L293 I296	I108-F281 HydrophobicContact CD1-CD1 4.23Å; I108-F281 HydrophobicContact CD1-CE1 4.48Å; I108-F281 HydrophobicContact CG1-CD1 4.13Å; I108-F281 HydrophobicContact CG2-CD1 3.81Å; I108-F281 HydrophobicContact CG2-CE1 3.87Å; F235-F281 HydrophobicContact CD2-CD2 4.43Å; F235-F281 HydrophobicContact CD2-CE2 4.17Å; F235-F281 AromaticContact CE2-CD2 3.81Å; F235-F281 HydrophobicContact CE2-CD2 3.81Å; F235-F281 AromaticContact CE2-CE2 3.95Å; F235-F281 HydrophobicContact CE2-CE2 3.95Å; H247-F281 CarbonylContact C-O 3.57Å; H247-F281 WeakPolarHBondContact CA-O 3.49Å; H247-F281 VanDerWaalsContact CB-O 3.31Å; H247-F281 WeakPolarHBondContact CB-O 3.36Å; G248-F281 PolarHBondContact N-O 3.46Å; G248-F281 PolarHBondContact O-N 2.75Å; L250-F281 HydrophobicContact CB-CE2 3.81Å; L250-F281 HydrophobicContact CB-CZ 4.38Å; F279-F281 HydrophobicContact CB-CE1 4.27Å; F279-F281 HydrophobicContact CB-CE2 3.96Å; F279-F281 HydrophobicContact CB-CZ 3.67Å; F281-G283 VanDerWaalsContact C-N 3.31Å; F281-G283 PolarHBondContact O-N 3.48Å; F281-V289 HydrophobicContact CB-CG1 4.29Å; F281-Q292 HydrophobicContact CB-CB 4.1Å; F281-Q292 HydrophobicContact CD1-CB 3.67Å; F281-Q292 HydrophobicContact CE1-CB 4.5Å; F281-Q292 WeakPolarHBondContact CE1-O 3.23Å; F281-Q292 HydrophobicContact CG-CB 4.22Å; F281-L293 HydrophobicContact CE2-CB 4.35Å; F281-L293 HydrophobicContact CE2-CD1 3.72Å; F281-L293 HydrophobicContact CZ-CB 4.27Å; F281-L293 HydrophobicContact CZ-CD1 3.69Å; F281-I296 HydrophobicContact CE1-CB 4.27Å; F281-I296 HydrophobicContact CE1-CG1 3.79Å
282	A	97.8	Very high	97.6	Very high	1 Å²	1	12.8 Å²	12.8	1%	0.008	8%	0.075	C	C	.	.			trans	-84.7	9.4	-170.6	0	0	0	0	0	114.5	N107 F109 R159 M166	N107-A282 HydrophobicContact CB-CB 4.17Å; N107-A282 VanDerWaalsContact O-CB 3.31Å; N107-A282 WeakPolarHBondContact O-CB 3.4Å; N107-A282 PolarHBondContact O-N 3.04Å; F109-A282 HydrophobicContact CE2-CB 4.3Å; R159-A282 PolarHBondContact NH1-O 3.16Å; R159-A282 PolarHBondContact NH2-O 2.82Å; M166-A282 HydrophobicContact CE-CB 4.02Å; M166-A282 HydrophobicContact SD-CB 3.94Å
283	G	97.4	Very high	97.7	Very high	1 Å²	1	12.7 Å²	12.7	1%	0.01	7%	0.074	C	C	.	.			trans	61.6	-134.9	174.5	0	0	0	0	0	114.2	S246 F281 Q292	S246-G283 WeakPolarHBondContact O-CA 3.36Å; F281-G283 VanDerWaalsContact C-N 3.31Å; F281-G283 PolarHBondContact O-N 3.48Å; G283-Q292 PolarHBondContact O-NE2 2.75Å
284	P	96.4	Very high	97.8	Very high	58 Å²	58	12.5 Å²	12.5	38%	0.377	7%	0.072	S	C	.	.	S	Bend	cis	-98.4	-5.3	27.7	36.5	-37.5	0	0	0	115.8	N245 S246	N245-P284 CarbonylContact C-O 3.43Å; N245-P284 WeakPolarHBondContact CA-O 3.39Å; S246-P284 PolarHBondContact N-O 2.8Å
285	T	97.6	Very high	97.7	Very high	55 Å²	55	13.5 Å²	13.5	34%	0.337	8%	0.078	S	C	.	.	S	Bend	trans	-103.5	158.9	178.1	65.4	0	0	0	0	111.1	Q287 A288 V289	T285-Q287 PolarHBondContact O-N 2.99Å; T285-A288 WeakPolarHBondContact O-CB 3.49Å; T285-A288 PolarHBondContact O-N 3.29Å; T285-A288 WeakPolarHBondContact OG1-CB 3.5Å; T285-A288 PolarHBondContact OG1-N 3.5Å; T285-A288 VanDerWaalsContact OG1-N 3.13Å; T285-V289 WeakPolarHBondContact O-CG2 3.33Å; T285-V289 PolarHBondContact O-N 2.88Å
286	P	98.1	Very high	97.6	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-53.3	-39.4	173.2	-28.9	35.4	0	0	0	113.5	L237 S246 V289 A290 L693 M694 P697	L237-P286 HydrophobicContact CD1-CB 3.9Å; L237-P286 HydrophobicContact CD2-CB 4.34Å; S246-P286 WeakPolarHBondContact OG-CD 3.35Å; S246-P286 WeakPolarHBondContact OG-CG 3.47Å; P286-V289 PolarHBondContact O-N 3.34Å; P286-A290 PolarHBondContact O-N 3.19Å; P286-L693 HydrophobicContact CB-CD1 3.86Å; P286-L693 HydrophobicContact CG-CD1 3.68Å; P286-M694 HydrophobicContact CB-CB 4.36Å; P286-M694 HydrophobicContact CB-CG 3.89Å; P286-P697 HydrophobicContact CG-CB 4.1Å
287	Q	97.7	Very high	97.4	Very high	47 Å²	47	13.5 Å²	13.5	22%	0.22	8%	0.078	C	C	.	.	H	α-helix	trans	-62.6	-47.8	174.5	-173.9	-172.3	-62.8	0	0	111.5	T285 V289 A290 E291 T686	T285-Q287 PolarHBondContact O-N 2.99Å; Q287-V289 PolarHBondContact O-N 3.42Å; Q287-A290 PolarHBondContact O-N 3.45Å; Q287-A290 VanDerWaalsContact O-N 3.12Å; Q287-E291 HydrophobicContact CG-CG 4.41Å; Q287-E291 PolarHBondContact NE2-OE1 2.62Å; Q287-E291 WeakPolarHBondContact O-CG 3.21Å; Q287-E291 PolarHBondContact O-N 2.88Å; Q287-T686 HydrophobicContact CG-CG2 3.94Å
288	A	97.7	Very high	97.3	Very high	16 Å²	16	14.5 Å²	14.5	13%	0.132	9%	0.09	C	C	.	.	H	α-helix	trans	-60.9	-34.9	179.5	0	0	0	0	0	111.8	T285 E291 Q292	T285-A288 WeakPolarHBondContact O-CB 3.49Å; T285-A288 PolarHBondContact O-N 3.29Å; T285-A288 WeakPolarHBondContact OG1-CB 3.5Å; T285-A288 PolarHBondContact OG1-N 3.5Å; T285-A288 VanDerWaalsContact OG1-N 3.13Å; A288-E291 PolarHBondContact O-N 3.14Å; A288-Q292 WeakPolarHBondContact O-CB 3.09Å; A288-Q292 WeakPolarHBondContact O-CG 3.4Å; A288-Q292 PolarHBondContact O-N 2.86Å
289	V	98.5	Very high	97.3	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-62.3	-46.6	174.1	172.2	0	0	0	0	111.2	F235 L237 F281 T285 P286 Q287 E291 Q292 L293	F235-V289 HydrophobicContact CE2-CG1 4.29Å; F235-V289 HydrophobicContact CZ-CG1 3.73Å; L237-V289 HydrophobicContact CD1-CB 4.18Å; L237-V289 HydrophobicContact CD1-CG1 4.09Å; L237-V289 HydrophobicContact CG-CG1 4.36Å; F281-V289 HydrophobicContact CB-CG1 4.29Å; T285-V289 WeakPolarHBondContact O-CG2 3.33Å; T285-V289 PolarHBondContact O-N 2.88Å; P286-V289 PolarHBondContact O-N 3.34Å; Q287-V289 PolarHBondContact O-N 3.42Å; V289-E291 VanDerWaalsContact C-N 3.35Å; V289-E291 PolarHBondContact O-N 3.43Å; V289-Q292 PolarHBondContact O-N 2.89Å; V289-L293 PolarHBondContact O-N 2.83Å
290	A	98.1	Very high	97.3	Very high	1 Å²	1	18.4 Å²	18.4	1%	0.008	11%	0.105	C	C	.	.	H	α-helix	trans	-65	-37.3	176.9	0	0	0	0	0	112.6	P286 Q287 L293 T294 P687	P286-A290 PolarHBondContact O-N 3.19Å; Q287-A290 PolarHBondContact O-N 3.45Å; Q287-A290 VanDerWaalsContact O-N 3.12Å; A290-L293 PolarHBondContact O-N 3.19Å; A290-T294 PolarHBondContact O-N 3.17Å; A290-T294 VanDerWaalsContact O-N 3.11Å; A290-T294 PolarHBondContact O-OG1 2.87Å; A290-P687 HydrophobicContact CB-CG 3.77Å
291	E	97.9	Very high	97.3	Very high	46 Å²	46	19 Å²	19	22%	0.215	11%	0.109	C	C	.	.	H	α-helix	trans	-67	-35.8	174.6	-67.9	176.5	170.9	0	0	112.1	Q287 A288 V289 T294 S295 R299 N684 T686	Q287-E291 HydrophobicContact CG-CG 4.41Å; Q287-E291 PolarHBondContact NE2-OE1 2.62Å; Q287-E291 WeakPolarHBondContact O-CG 3.21Å; Q287-E291 PolarHBondContact O-N 2.88Å; A288-E291 PolarHBondContact O-N 3.14Å; V289-E291 VanDerWaalsContact C-N 3.35Å; V289-E291 PolarHBondContact O-N 3.43Å; E291-T294 PolarHBondContact O-OG1 3.45Å; E291-S295 PolarHBondContact O-N 3.43Å; E291-S295 VanDerWaalsContact O-N 3.08Å; E291-R299 PolarHBondContact O-NH1 2.79Å; E291-N684 WeakPolarHBondContact CB-O 3.49Å; E291-N684 WeakPolarHBondContact CG-O 3.41Å; E291-T686 WeakPolarHBondContact OE1-CB 3.31Å; E291-T686 PolarHBondContact OE1-OG1 2.68Å
292	Q	97.5	Very high	97.3	Very high	25 Å²	25	19.3 Å²	19.3	12%	0.117	11%	0.111	C	C	.	.	H	α-helix	trans	-72.4	-38.5	174.4	-73.6	165.7	-4.2	0	0	112	I108 F281 G283 A288 V289 S295 I296	I108-Q292 HydrophobicContact CD1-CB 3.93Å; I108-Q292 HydrophobicContact CD1-CG 4.13Å; I108-Q292 HydrophobicContact CG1-CB 4.24Å; I108-Q292 HydrophobicContact CG1-CG 4.23Å; F281-Q292 HydrophobicContact CB-CB 4.1Å; F281-Q292 HydrophobicContact CD1-CB 3.67Å; F281-Q292 HydrophobicContact CE1-CB 4.5Å; F281-Q292 WeakPolarHBondContact CE1-O 3.23Å; F281-Q292 HydrophobicContact CG-CB 4.22Å; G283-Q292 PolarHBondContact O-NE2 2.75Å; A288-Q292 WeakPolarHBondContact O-CB 3.09Å; A288-Q292 WeakPolarHBondContact O-CG 3.4Å; A288-Q292 PolarHBondContact O-N 2.86Å; V289-Q292 PolarHBondContact O-N 2.89Å; Q292-S295 PolarHBondContact O-N 2.85Å; Q292-S295 PolarHBondContact O-OG 3.15Å; Q292-I296 PolarHBondContact O-N 2.86Å
293	L	97.7	Very high	97.3	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-57	-53.8	174.4	174.1	64.6	0	0	0	110.4	F235 L250 F281 V289 A290 S295 I296 I297	F235-L293 HydrophobicContact CD1-CD2 3.96Å; F235-L293 HydrophobicContact CD2-CD1 3.93Å; F235-L293 HydrophobicContact CD2-CD2 4.05Å; F235-L293 HydrophobicContact CE1-CD2 4.03Å; F235-L293 HydrophobicContact CE2-CB 4.45Å; F235-L293 HydrophobicContact CE2-CD1 4.22Å; F235-L293 HydrophobicContact CE2-CD2 4.1Å; F235-L293 HydrophobicContact CE2-CG 4.49Å; F235-L293 HydrophobicContact CG-CD1 4.42Å; F235-L293 HydrophobicContact CG-CD2 3.96Å; F235-L293 HydrophobicContact CZ-CD2 4.1Å; L250-L293 HydrophobicContact CB-CD1 4.42Å; L250-L293 HydrophobicContact CD2-CD1 4Å; F281-L293 HydrophobicContact CE2-CB 4.35Å; F281-L293 HydrophobicContact CE2-CD1 3.72Å; F281-L293 HydrophobicContact CZ-CB 4.27Å; F281-L293 HydrophobicContact CZ-CD1 3.69Å; V289-L293 PolarHBondContact O-N 2.83Å; A290-L293 PolarHBondContact O-N 3.19Å; L293-S295 VanDerWaalsContact C-N 3.29Å; L293-S295 PolarHBondContact O-N 3.48Å; L293-I296 PolarHBondContact O-N 2.84Å; L293-I296 VanDerWaalsContact O-N 3.12Å; L293-I297 HydrophobicContact CD1-CD1 3.86Å; L293-I297 HydrophobicContact CD1-CG2 4.24Å; L293-I297 HydrophobicContact CD2-CD1 4.26Å; L293-I297 HydrophobicContact CG-CD1 3.73Å; L293-I297 HydrophobicContact CG-CG1 4.43Å; L293-I297 WeakPolarHBondContact O-CG1 3.19Å; L293-I297 PolarHBondContact O-N 2.84Å
294	T	97.5	Very high	97.3	Very high	1 Å²	1	19.3 Å²	19.3	1%	0.006	11%	0.111	C	C	.	.	H	α-helix	trans	-72.7	-16.1	-178	55.9	0	0	0	0	113.9	A290 E291 I296 G298 R299 G685	A290-T294 PolarHBondContact O-N 3.17Å; A290-T294 VanDerWaalsContact O-N 3.11Å; A290-T294 PolarHBondContact O-OG1 2.87Å; E291-T294 PolarHBondContact O-OG1 3.45Å; T294-I296 VanDerWaalsContact C-N 3.28Å; T294-G298 CarbonylContact O-C 3.56Å; T294-G298 WeakPolarHBondContact O-CA 3.47Å; T294-G298 PolarHBondContact O-N 2.65Å; T294-R299 PolarHBondContact O-N 3.47Å; T294-R299 PolarHBondContact OG1-NH1 3.24Å; T294-G685 VanDerWaalsContact OG1-CA 3.23Å; T294-G685 WeakPolarHBondContact OG1-CA 3.33Å
295	S	95.7	Very high	97.4	Very high	25 Å²	25	17.1 Å²	17.1	18%	0.175	10%	0.095	C	C	.	.	H	α-helix	trans	-71.1	-29.7	169.6	73	0	0	0	0	111.4	E291 Q292 L293 R299	E291-S295 PolarHBondContact O-N 3.43Å; E291-S295 VanDerWaalsContact O-N 3.08Å; Q292-S295 PolarHBondContact O-N 2.85Å; Q292-S295 PolarHBondContact O-OG 3.15Å; L293-S295 VanDerWaalsContact C-N 3.29Å; L293-S295 PolarHBondContact O-N 3.48Å; S295-R299 VanDerWaalsContact N-NH1 3.18Å
296	I	95.1	Very high	97.4	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-85.4	-46.6	178.8	-63.4	-55	0	0	0	112.4	V104 I108 P129 V130 S131 F279 F281 Q292 L293 T294	V104-I296 HydrophobicContact CG1-CD1 4.25Å; I108-I296 HydrophobicContact CD1-CD1 3.97Å; I108-I296 HydrophobicContact CD1-CG1 3.9Å; I108-I296 HydrophobicContact CG2-CD1 4.2Å; I108-I296 HydrophobicContact CG2-CG1 4.04Å; P129-I296 VanDerWaalsContact O-O 3.12Å; V130-I296 HydrophobicContact CG1-CG2 3.73Å; S131-I296 PolarHBondContact N-O 3.03Å; F279-I296 HydrophobicContact CD1-CG2 3.87Å; F279-I296 HydrophobicContact CE1-CG2 3.76Å; F279-I296 HydrophobicContact CZ-CG2 4.34Å; F281-I296 HydrophobicContact CE1-CB 4.27Å; F281-I296 HydrophobicContact CE1-CG1 3.79Å; Q292-I296 PolarHBondContact O-N 2.86Å; L293-I296 PolarHBondContact O-N 2.84Å; L293-I296 VanDerWaalsContact O-N 3.12Å; T294-I296 VanDerWaalsContact C-N 3.28Å
297	I	95.5	Very high	97.4	Very high	4 Å²	4	15.4 Å²	15.4	2%	0.021	8%	0.082	C	C	.	.	H	α-helix	trans	-93.4	-0.4	-172	72.1	-178.3	0	0	0	114.2	L250 M252 L293 V569 G570	L250-I297 HydrophobicContact CD2-CG2 3.91Å; M252-I297 HydrophobicContact CE-CG2 4.08Å; L293-I297 HydrophobicContact CD1-CD1 3.86Å; L293-I297 HydrophobicContact CD1-CG2 4.24Å; L293-I297 HydrophobicContact CD2-CD1 4.26Å; L293-I297 HydrophobicContact CG-CD1 3.73Å; L293-I297 HydrophobicContact CG-CG1 4.43Å; L293-I297 WeakPolarHBondContact O-CG1 3.19Å; L293-I297 PolarHBondContact O-N 2.84Å; I297-V569 HydrophobicContact CD1-CB 4.14Å; I297-V569 HydrophobicContact CG2-CB 4.49Å; I297-G570 VanDerWaalsContact O-CA 3.26Å; I297-G570 WeakPolarHBondContact O-CA 3.14Å
298	G	95.6	Very high	97.5	Very high	25 Å²	25	13.1 Å²	13.1	26%	0.258	7%	0.072	S	C	.	.			trans	103.8	144.4	-176.7	0	0	0	0	0	113.4	T294 S573	T294-G298 CarbonylContact O-C 3.56Å; T294-G298 WeakPolarHBondContact O-CA 3.47Å; T294-G298 PolarHBondContact O-N 2.65Å; G298-S573 VanDerWaalsContact C-OG 3.24Å; G298-S573 WeakPolarHBondContact CA-OG 3.19Å
299	R	96.9	Very high	97.5	Very high	80 Å²	80	12.4 Å²	12.4	30%	0.302	7%	0.066	S	C	.	.	P	Polyproline II helix	trans	-77.2	143	-178.8	-67.7	-62.2	-168.5	-149.8	-2.6	111.3	E291 T294 S295 A301 S573 H682 I683 N684	E291-R299 PolarHBondContact O-NH1 2.79Å; T294-R299 PolarHBondContact O-N 3.47Å; T294-R299 PolarHBondContact OG1-NH1 3.24Å; S295-R299 VanDerWaalsContact N-NH1 3.18Å; R299-A301 PolarHBondContact O-N 3.22Å; R299-S573 WeakPolarHBondContact O-CA 3.36Å; R299-S573 PolarHBondContact O-OG 3.47Å; R299-H682 WeakPolarHBondContact CB-O 3.37Å; R299-H682 WeakPolarHBondContact CG-O 3.29Å; R299-I683 PolarHBondContact NE-O 2.97Å; R299-I683 VanDerWaalsContact NE-O 3.16Å; R299-N684 PolarHBondContact NH1-O 2.98Å; R299-N684 PolarHBondContact NH2-O 2.64Å
300	P	98.3	Very high	97.5	Very high	2 Å²	2	12.5 Å²	12.5	1%	0.013	7%	0.066	C	C	.	.	P	Polyproline II helix	trans	-49.9	139.1	173.5	-27.2	32.8	0	0	0	113.3	G572 P605 S681 H682	P300-G572 CarbonylContact C-O 3.53Å; P300-G572 WeakPolarHBondContact CA-O 3.47Å; P300-P605 HydrophobicContact CB-CG 3.82Å; P300-P605 HydrophobicContact CG-CG 4.18Å; P300-S681 WeakPolarHBondContact CD-O 3.36Å; P300-H682 WeakPolarHBondContact O-CA 3.48Å; P300-H682 PolarHBondContact O-ND1 2.88Å
301	A	97.6	Very high	97.6	Very high	12 Å²	12	12.4 Å²	12.4	10%	0.099	7%	0.066	C	C	.	.	P	Polyproline II helix	trans	-64.1	138	172.3	0	0	0	0	0	110.4	R299 P303 G572 F576	R299-A301 PolarHBondContact O-N 3.22Å; A301-P303 VanDerWaalsContact O-CD 3.23Å; A301-P303 WeakPolarHBondContact O-CD 3.36Å; A301-G572 PolarHBondContact N-O 3.13Å; A301-F576 HydrophobicContact CB-CE1 3.9Å; A301-F576 HydrophobicContact CB-CZ 4.09Å
302	L	97.8	Very high	97.6	Very high	7 Å²	7	10.3 Å²	10.3	4%	0.037	6%	0.056	C	C	.	.			trans	-75.3	115.6	171.2	-177.7	58.5	0	0	0	108.8	R559 Y675 F678 H682 F807	L302-R559 VanDerWaalsContact CD2-CZ 3.42Å; L302-R559 WeakPolarHBondContact O-CD 3.44Å; L302-Y675 HydrophobicContact CD1-CE2 4.24Å; L302-F678 HydrophobicContact CD1-CB 4Å; L302-H682 HydrophobicContact CB-CB 4Å; L302-H682 HydrophobicContact CD1-CB 4.44Å; L302-H682 PolarHBondContact N-ND1 3.17Å; L302-F807 HydrophobicContact CD2-CE1 4.28Å; L302-F807 HydrophobicContact CD2-CZ 4.45Å
303	P	98.2	Very high	97.6	Very high	0 Å²	0	9.3 Å²	9.3	0%	0	5%	0.051	C	C	.	.			trans	-63.7	151	177	23.8	-34.1	0	0	0	112	A301 S307 L308 R559 F576 F678	A301-P303 VanDerWaalsContact O-CD 3.23Å; A301-P303 WeakPolarHBondContact O-CD 3.36Å; P303-S307 WeakPolarHBondContact CB-OG 3.42Å; P303-L308 HydrophobicContact CB-CD2 4.5Å; P303-L308 HydrophobicContact CG-CD2 4.04Å; P303-R559 PolarHBondContact O-NH1 3.36Å; P303-F576 HydrophobicContact CB-CE1 4.39Å; P303-F576 HydrophobicContact CB-CE2 4.17Å; P303-F576 HydrophobicContact CB-CZ 3.76Å; P303-F678 HydrophobicContact CG-CB 4.14Å; P303-F678 HydrophobicContact CG-CD1 3.51Å; P303-F678 HydrophobicContact CG-CD2 4.07Å; P303-F678 HydrophobicContact CG-CE1 3.8Å; P303-F678 HydrophobicContact CG-CE2 4.34Å; P303-F678 HydrophobicContact CG-CG 3.63Å; P303-F678 HydrophobicContact CG-CZ 4.2Å
304	P	98.2	Very high	97.6	Very high	2 Å²	2	10.5 Å²	10.5	1%	0.013	6%	0.056	C	C	.	.			trans	-64.4	144.6	163.1	30.4	-33.5	0	0	0	109.8	W306 S307 R559 F561 G811	P304-W306 HydrophobicContact CB-CD2 4.4Å; P304-W306 HydrophobicContact CB-CG 4.39Å; P304-W306 HydrophobicContact CB-CZ2 4.29Å; P304-W306 HydrophobicContact CG-CD2 4.16Å; P304-W306 VanDerWaalsContact CG-CE2 3.49Å; P304-W306 HydrophobicContact CG-CH2 4.28Å; P304-W306 HydrophobicContact CG-CZ2 3.57Å; P304-W306 PolarHBondContact O-N 2.95Å; P304-W306 VanDerWaalsContact O-N 3.16Å; P304-S307 PolarHBondContact O-N 3.44Å; P304-S307 PolarHBondContact O-OG 2.98Å; P304-R559 HydrophobicContact CB-CB 4.49Å; P304-F561 HydrophobicContact CG-CB 4.05Å; P304-F561 HydrophobicContact CG-CD2 4.19Å; P304-F561 HydrophobicContact CG-CG 4.49Å; P304-G811 CarbonylContact C-O 3.48Å; P304-G811 VanDerWaalsContact CA-O 3.31Å; P304-G811 WeakPolarHBondContact CA-O 3.34Å
305	Y	98.1	Very high	97.6	Very high	12 Å²	12	13.3 Å²	13.3	5%	0.047	7%	0.067	C	C	.	.	G	3₁₀ helix	trans	-59.7	-34.8	-171.9	-167.8	-82.8	0	0	0	113.1	S307 L308 L671 Y675 T782 R786 G811	Y305-S307 PolarHBondContact O-N 3.11Å; Y305-L308 WeakPolarHBondContact O-CB 3.48Å; Y305-L308 PolarHBondContact O-N 3.43Å; Y305-L308 VanDerWaalsContact O-N 3.13Å; Y305-L671 HydrophobicContact CE1-CB 4.28Å; Y305-L671 HydrophobicContact CE1-CD1 4.19Å; Y305-L671 VanDerWaalsContact OH-CB 3.26Å; Y305-L671 WeakPolarHBondContact OH-CB 3.46Å; Y305-Y675 AromaticContact CD2-CD1 3.53Å; Y305-Y675 HydrophobicContact CD2-CD1 3.53Å; Y305-Y675 AromaticContact CD2-CD2 3.65Å; Y305-Y675 HydrophobicContact CD2-CD2 3.65Å; Y305-Y675 AromaticContact CD2-CE1 3.8Å; Y305-Y675 HydrophobicContact CD2-CE1 3.8Å; Y305-Y675 AromaticContact CD2-CE2 3.93Å; Y305-Y675 HydrophobicContact CD2-CE2 3.93Å; Y305-Y675 AromaticContact CD2-CG 3.42Å; Y305-Y675 HydrophobicContact CD2-CG 3.42Å; Y305-Y675 VanDerWaalsContact CD2-CG 3.42Å; Y305-Y675 AromaticContact CD2-CZ 3.97Å; Y305-Y675 AromaticContact CE2-CD1 3.72Å; Y305-Y675 HydrophobicContact CE2-CD1 3.72Å; Y305-Y675 HydrophobicContact CE2-CD2 4.29Å; Y305-Y675 HydrophobicContact CE2-CE1 4.37Å; Y305-Y675 AromaticContact CE2-CG 3.65Å; Y305-Y675 HydrophobicContact CE2-CG 3.65Å; Y305-T782 HydrophobicContact CD1-CG2 4.05Å; Y305-T782 HydrophobicContact CE1-CG2 4.1Å; Y305-R786 HydrophobicContact CD1-CG 4.37Å; Y305-R786 VanDerWaalsContact CD2-NH1 3.31Å; Y305-R786 HydrophobicContact CE1-CG 3.85Å; Y305-R786 VanDerWaalsContact CG-NH1 3.33Å; Y305-G811 PolarHBondContact N-O 3.01Å
306	W	98.3	Very high	97.6	Very high	18 Å²	18	13.1 Å²	13.1	7%	0.068	7%	0.069	C	C	.	.	G	3₁₀ helix	trans	-62.9	-28.3	179.1	59.1	-106	0	0	0	112.9	P304 L308 G309 D338 V339 H378 V380 D468 F561 T782	P304-W306 HydrophobicContact CB-CD2 4.4Å; P304-W306 HydrophobicContact CB-CG 4.39Å; P304-W306 HydrophobicContact CB-CZ2 4.29Å; P304-W306 HydrophobicContact CG-CD2 4.16Å; P304-W306 VanDerWaalsContact CG-CE2 3.49Å; P304-W306 HydrophobicContact CG-CH2 4.28Å; P304-W306 HydrophobicContact CG-CZ2 3.57Å; P304-W306 PolarHBondContact O-N 2.95Å; P304-W306 VanDerWaalsContact O-N 3.16Å; W306-L308 PolarHBondContact O-N 3.1Å; W306-G309 PolarHBondContact O-N 3.08Å; W306-G309 VanDerWaalsContact O-N 3.07Å; W306-D338 WeakPolarHBondContact O-CB 3.36Å; W306-V339 HydrophobicContact CE3-CG2 3.5Å; W306-V339 VanDerWaalsContact CE3-CG2 3.5Å; W306-V339 HydrophobicContact CZ3-CG1 4.45Å; W306-V339 HydrophobicContact CZ3-CG2 3.55Å; W306-H378 WeakPolarHBondContact CB-CE1 3.44Å; W306-H378 AromaticContact CD1-CD2 3.85Å; W306-H378 AromaticContact CD1-CE1 3.8Å; W306-H378 AromaticContact CD1-NE2 3.41Å; W306-H378 HydrophobicContact CD2-CB 4.32Å; W306-H378 AromaticContact CD2-CD2 3.76Å; W306-H378 AromaticContact CD2-CG 3.73Å; W306-H378 AromaticContact CD2-ND1 3.92Å; W306-H378 AromaticContact CD2-NE2 3.99Å; W306-H378 AromaticContact CE2-CD2 3.82Å; W306-H378 HydrophobicContact CE3-CB 4Å; W306-H378 AromaticContact CE3-CG 3.87Å; W306-H378 AromaticContact CG-CD2 3.83Å; W306-H378 AromaticContact CG-CE1 3.47Å; W306-H378 VanDerWaalsContact CG-CE1 3.47Å; W306-H378 AromaticContact CG-CG 3.97Å; W306-H378 AromaticContact CG-ND1 3.74Å; W306-H378 AromaticContact CG-NE2 3.52Å; W306-H378 HydrophobicContact CZ3-CB 4.16Å; W306-H378 AromaticContact NE1-CD2 3.82Å; W306-H378 AromaticContact NE1-NE2 3.82Å; W306-V380 HydrophobicContact CH2-CG2 4.36Å; W306-V380 HydrophobicContact CZ3-CG2 4.47Å; W306-D468 HydrophobicContact CH2-CB 4.42Å; W306-D468 HydrophobicContact CZ2-CB 4.18Å; W306-F561 HydrophobicContact CH2-CB 3.54Å; W306-F561 AromaticContact CH2-CD1 3.55Å; W306-F561 HydrophobicContact CH2-CD1 3.55Å; W306-F561 HydrophobicContact CH2-CD2 4.13Å; W306-F561 HydrophobicContact CH2-CE1 4.29Å; W306-F561 AromaticContact CH2-CG 3.45Å; W306-F561 HydrophobicContact CH2-CG 3.45Å; W306-F561 VanDerWaalsContact CH2-CG 3.45Å; W306-F561 HydrophobicContact CZ2-CB 3.74Å; W306-F561 HydrophobicContact CZ2-CG 4.12Å; W306-F561 HydrophobicContact CZ3-CD1 4.06Å; W306-F561 HydrophobicContact CZ3-CD2 4.49Å; W306-F561 HydrophobicContact CZ3-CE1 4.35Å; W306-F561 HydrophobicContact CZ3-CG 4.12Å; W306-T782 WeakPolarHBondContact CA-OG1 3.49Å
307	S	98.6	Very high	97.6	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	7%	0.071	C	C	.	.	G	3₁₀ helix	trans	-75.7	-6.7	179.6	75.2	0	0	0	0	113	P303 P304 Y305 G309 H311 F561 M606	P303-S307 WeakPolarHBondContact CB-OG 3.42Å; P304-S307 PolarHBondContact O-N 3.44Å; P304-S307 PolarHBondContact O-OG 2.98Å; Y305-S307 PolarHBondContact O-N 3.11Å; S307-G309 VanDerWaalsContact C-N 3.29Å; S307-H311 PolarHBondContact O-NE2 3.25Å; S307-F561 VanDerWaalsContact CB-CD2 3.42Å; S307-F561 WeakPolarHBondContact OG-CE2 3.37Å; S307-M606 WeakPolarHBondContact O-CE 3.27Å
308	L	98.8	Very high	97.5	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	10%	0.097	C	C	.	.	G	3₁₀ helix	trans	-84	-8.1	170.2	-56.1	-177.3	0	0	0	112	P303 Y305 W306 M606 R667 L671 L674 Y675 F678	P303-L308 HydrophobicContact CB-CD2 4.5Å; P303-L308 HydrophobicContact CG-CD2 4.04Å; Y305-L308 WeakPolarHBondContact O-CB 3.48Å; Y305-L308 PolarHBondContact O-N 3.43Å; Y305-L308 VanDerWaalsContact O-N 3.13Å; W306-L308 PolarHBondContact O-N 3.1Å; L308-M606 HydrophobicContact CD2-CE 4.39Å; L308-M606 HydrophobicContact CD2-SD 3.98Å; L308-R667 PolarHBondContact O-NE 3.19Å; L308-R667 PolarHBondContact O-NH2 2.89Å; L308-L671 HydrophobicContact CB-CD2 3.72Å; L308-L671 WeakPolarHBondContact O-CD2 3.24Å; L308-L674 HydrophobicContact CB-CD2 4.4Å; L308-L674 HydrophobicContact CD1-CD2 4.41Å; L308-L674 HydrophobicContact CD1-CG 4.33Å; L308-L674 HydrophobicContact CD2-CD2 4.18Å; L308-Y675 HydrophobicContact CD1-CD2 3.73Å; L308-Y675 HydrophobicContact CD1-CG 4.23Å; L308-F678 HydrophobicContact CD1-CD2 4.33Å; L308-F678 HydrophobicContact CD2-CD2 3.77Å; L308-F678 HydrophobicContact CD2-CE2 3.49Å; L308-F678 VanDerWaalsContact CD2-CE2 3.49Å; L308-F678 HydrophobicContact CD2-CZ 4.24Å
309	G	98.6	Very high	97.6	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	9%	0.085	C	C	.	.	S	Bend	trans	-66.4	-164.3	173.6	0	0	0	0	0	113.2	W306 S307 H311 D338 R667	W306-G309 PolarHBondContact O-N 3.08Å; W306-G309 VanDerWaalsContact O-N 3.07Å; S307-G309 VanDerWaalsContact C-N 3.29Å; G309-H311 PolarHBondContact O-CD2 2.95Å; G309-D338 WeakPolarHBondContact CA-OD2 3.23Å; G309-R667 PolarHBondContact O-NE 3.05Å
310	F	98.8	Very high	97.6	Very high	2 Å²	2	13.8 Å²	13.8	1%	0.009	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	140.2	174.4	-173.4	-97	0	0	0	110.1	L312 M330 P336 L337 D338 V339 I611 S636 P649 I664 Y668	F310-L312 HydrophobicContact CE1-CD1 4.44Å; F310-M330 HydrophobicContact CD1-CE 4.14Å; F310-M330 HydrophobicContact CE1-CE 4.08Å; F310-P336 WeakPolarHBondContact CB-O 3.32Å; F310-L337 HydrophobicContact CD1-CD1 4.22Å; F310-D338 PolarHBondContact O-N 2.94Å; F310-V339 PolarHBondContact O-N 3.47Å; F310-I611 HydrophobicContact CE2-CD1 4.1Å; F310-S636 VanDerWaalsContact CD2-OG 3.29Å; F310-S636 WeakPolarHBondContact CD2-OG 3.4Å; F310-P649 HydrophobicContact CE1-CG 3.69Å; F310-P649 HydrophobicContact CZ-CG 3.61Å; F310-I664 HydrophobicContact CB-CG2 3.84Å; F310-I664 HydrophobicContact CD1-CD1 4.45Å; F310-I664 HydrophobicContact CD2-CD1 3.7Å; F310-I664 HydrophobicContact CD2-CG1 4.05Å; F310-I664 HydrophobicContact CD2-CG2 4.27Å; F310-I664 HydrophobicContact CE1-CD1 4.46Å; F310-I664 HydrophobicContact CE2-CD1 3.73Å; F310-I664 HydrophobicContact CE2-CG1 4.36Å; F310-I664 HydrophobicContact CG-CD1 4.09Å; F310-I664 HydrophobicContact CG-CG2 4.19Å; F310-I664 HydrophobicContact CZ-CD1 4.13Å; F310-Y668 HydrophobicContact CB-CE2 4.12Å; F310-Y668 PolarHBondContact N-OH 2.67Å
311	H	98.8	Very high	97.6	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	137.1	-175.2	-71.6	-137.4	0	0	0	109.8	S307 G309 V339 W341 F561 S636 R637 S638	S307-H311 PolarHBondContact O-NE2 3.25Å; G309-H311 PolarHBondContact O-CD2 2.95Å; H311-V339 WeakPolarHBondContact CA-O 3.27Å; H311-V339 HydrophobicContact CB-CB 4.31Å; H311-V339 WeakPolarHBondContact CE1-CG2 3.3Å; H311-V339 VanDerWaalsContact NE2-CG2 3.34Å; H311-V339 WeakPolarHBondContact NE2-CG2 3.21Å; H311-W341 AromaticContact CG-NE1 3.55Å; H311-W341 AromaticContact ND1-CE2 3.45Å; H311-W341 AromaticContact ND1-CZ2 3.3Å; H311-W341 VanDerWaalsContact ND1-CZ2 3.3Å; H311-W341 WeakPolarHBondContact ND1-CZ2 3.4Å; H311-W341 AromaticContact ND1-NE1 3.05Å; H311-W341 PolarHBondContact ND1-NE1 3.19Å; H311-F561 AromaticContact CE1-CZ 3.84Å; H311-S636 WeakPolarHBondContact CB-O 3.44Å; H311-S636 PolarHBondContact N-O 3.2Å; H311-R637 HydrophobicContact CB-CB 3.75Å; H311-R637 HydrophobicContact CB-CG 3.82Å; H311-R637 WeakPolarHBondContact O-CA 3.35Å; H311-S638 PolarHBondContact O-N 2.68Å
312	L	98.4	Very high	97.6	Very high	2 Å²	2	23 Å²	23	1%	0.01	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	127.9	179.1	-169.3	61.3	0	0	0	110.5	F310 L326 M330 L337 V339 Q340 W341 E648	F310-L312 HydrophobicContact CE1-CD1 4.44Å; L312-L326 HydrophobicContact CD2-CD1 4.21Å; L312-L326 HydrophobicContact CD2-CD2 3.54Å; L312-L326 HydrophobicContact CD2-CG 3.65Å; L312-L326 HydrophobicContact CG-CD2 4.25Å; L312-M330 HydrophobicContact CD2-CG 4.33Å; L312-L337 HydrophobicContact CB-CD1 3.62Å; L312-L337 HydrophobicContact CD2-CD2 4.38Å; L312-V339 PolarHBondContact N-O 3.42Å; L312-Q340 PolarHBondContact O-NE2 2.57Å; L312-W341 VanDerWaalsContact O-CD1 3.31Å; L312-W341 PolarHBondContact O-N 2.89Å; L312-E648 HydrophobicContact CD1-CB 3.98Å
313	S	98	Very high	97.5	Very high	3 Å²	3	22.8 Å²	22.8	2%	0.021	11%	0.109	C	C	.	.			trans	-143.1	162.3	179.5	-169	0	0	0	0	109.8	W341 S638 H639	S313-W341 WeakPolarHBondContact OG-CB 3.47Å; S313-S638 PolarHBondContact N-O 3.18Å; S313-S638 VanDerWaalsContact O-O 3.09Å; S313-H639 WeakPolarHBondContact CB-ND1 3.16Å; S313-H639 WeakPolarHBondContact O-CA 3.4Å; S313-H639 PolarHBondContact OG-ND1 3.31Å
314	R	97.2	Very high	97.5	Very high	26 Å²	26	24.9 Å²	24.9	10%	0.098	12%	0.119	C	C	.	.			trans	-164.7	134.2	169.8	171.2	174.7	-178.5	88.7	0.3	108	G316 Y317 H639 N640 A642 A644	R314-G316 PolarHBondContact NE-O 2.71Å; R314-Y317 HydrophobicContact CB-CD1 4.34Å; R314-Y317 HydrophobicContact CB-CD2 3.85Å; R314-Y317 HydrophobicContact CB-CE1 4.01Å; R314-Y317 HydrophobicContact CB-CE2 3.55Å; R314-Y317 HydrophobicContact CB-CG 4.26Å; R314-Y317 VanDerWaalsContact O-CD2 3.22Å; R314-Y317 WeakPolarHBondContact O-CD2 3.38Å; R314-H639 WeakPolarHBondContact CA-ND1 3.48Å; R314-H639 PolarHBondContact N-ND1 3.13Å; R314-N640 VanDerWaalsContact NH1-CG 3.3Å; R314-N640 PolarHBondContact NH1-ND2 3.47Å; R314-N640 PolarHBondContact NH1-OD1 3.4Å; R314-A642 PolarHBondContact NH2-O 3.44Å; R314-A642 VanDerWaalsContact NH2-O 3.09Å; R314-A644 PolarHBondContact NH1-O 3.27Å; R314-A644 VanDerWaalsContact NH1-O 3.1Å; R314-A644 PolarHBondContact NH2-O 3.11Å
315	W	97.2	Very high	97.5	Very high	60 Å²	60	29.7 Å²	29.7	23%	0.227	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.4	129.7	158.6	173.3	32	0	0	0	106.5	D343 D345 W436 F614 H639 N640 S641 A642	W315-D343 WeakPolarHBondContact CA-OD2 3.49Å; W315-D343 WeakPolarHBondContact CB-OD2 3.37Å; W315-D345 PolarHBondContact NE1-OD1 2.79Å; W315-W436 HydrophobicContact CH2-CH2 4.08Å; W315-W436 HydrophobicContact CZ2-CH2 4.18Å; W315-F614 HydrophobicContact CE3-CE2 4.32Å; W315-F614 AromaticContact CE3-CZ 3.92Å; W315-F614 HydrophobicContact CE3-CZ 3.92Å; W315-F614 HydrophobicContact CZ3-CZ 4.41Å; W315-H639 PolarHBondContact N-CE1 3.03Å; W315-H639 VanDerWaalsContact N-CE1 3.3Å; W315-N640 PolarHBondContact N-O 2.77Å; W315-S641 CarbonylContact O-C 3.56Å; W315-A642 HydrophobicContact CD2-CB 3.76Å; W315-A642 HydrophobicContact CE3-CB 4.26Å; W315-A642 HydrophobicContact CG-CB 4.04Å; W315-A642 HydrophobicContact CZ2-CB 4.08Å; W315-A642 WeakPolarHBondContact O-CA 3.49Å; W315-A642 PolarHBondContact O-N 3.27Å; W315-A642 VanDerWaalsContact O-N 3.08Å
316	G	95.3	Very high	97.4	Very high	21 Å²	21	29.3 Å²	29.3	22%	0.216	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	90.4	37.6	-176.8	0	0	0	0	0	114.3	R314 D345	R314-G316 PolarHBondContact NE-O 2.71Å; G316-D345 PolarHBondContact N-OD1 2.89Å; G316-D345 PolarHBondContact N-OD2 2.8Å
317	Y	96.4	Very high	97.4	Very high	11 Å²	11	28.7 Å²	28.7	4%	0.043	14%	0.138	C	C	.	.			trans	-69.6	135.1	160.2	-79.8	-63.1	0	0	0	110.2	R314 G319 Q322 M323 L326 Q340 W362	R314-Y317 HydrophobicContact CB-CD1 4.34Å; R314-Y317 HydrophobicContact CB-CD2 3.85Å; R314-Y317 HydrophobicContact CB-CE1 4.01Å; R314-Y317 HydrophobicContact CB-CE2 3.55Å; R314-Y317 HydrophobicContact CB-CG 4.26Å; R314-Y317 VanDerWaalsContact O-CD2 3.22Å; R314-Y317 WeakPolarHBondContact O-CD2 3.38Å; Y317-G319 PolarHBondContact O-N 2.95Å; Y317-Q322 HydrophobicContact CD1-CG 4.46Å; Y317-M323 HydrophobicContact CD1-CG 3.88Å; Y317-M323 HydrophobicContact CD2-CE 3.21Å; Y317-M323 HydrophobicContact CD2-CG 4.04Å; Y317-M323 HydrophobicContact CD2-SD 4.43Å; Y317-M323 HydrophobicContact CE1-CG 4.14Å; Y317-M323 HydrophobicContact CE2-CE 3.82Å; Y317-M323 HydrophobicContact CE2-CG 4.23Å; Y317-M323 HydrophobicContact CG-CE 3.66Å; Y317-M323 HydrophobicContact CG-CG 3.83Å; Y317-L326 HydrophobicContact CE1-CD2 3.79Å; Y317-Q340 PolarHBondContact OH-NE2 2.66Å; Y317-Q340 VanDerWaalsContact OH-NE2 3.16Å; Y317-W362 VanDerWaalsContact O-CZ2 3.26Å; Y317-W362 WeakPolarHBondContact O-CZ2 3.42Å
318	D	92.7	Very high	97.4	Very high	107 Å²	107	31.7 Å²	31.7	57%	0.572	15%	0.154	S	C	*	.			trans	-90.3	50.6	177.1	-167.5	27.8	0	0	0	111	Y361	D318-Y361 WeakPolarHBondContact OD1-CD1 3.37Å; D318-Y361 WeakPolarHBondContact OD1-CE1 3.2Å
319	G	97.3	Very high	97.3	Very high	1 Å²	1	36.1 Å²	36.1	1%	0.01	17%	0.171	C	C	.	.			trans	94	173.5	177.2	0	0	0	0	0	116.6	Y317 K321 Q322 M323 Y361	Y317-G319 PolarHBondContact O-N 2.95Å; G319-K321 VanDerWaalsContact C-N 3.3Å; G319-K321 PolarHBondContact O-N 2.81Å; G319-Q322 PolarHBondContact O-N 2.95Å; G319-M323 PolarHBondContact O-N 2.67Å; G319-Y361 CarbonylContact C-O 3.39Å; G319-Y361 WeakPolarHBondContact CA-O 3.22Å
320	T	98	Very high	97.3	Very high	4 Å²	4	36.1 Å²	36.1	3%	0.025	17%	0.171	C	C	.	.	H	α-helix	trans	-58.3	-38.8	-178.6	52.8	0	0	0	0	112.5	Q322 M323 E324 Y361 W362 D364 L365 M368	T320-Q322 VanDerWaalsContact C-N 3.32Å; T320-Q322 PolarHBondContact O-N 3.25Å; T320-M323 WeakPolarHBondContact O-CB 3.11Å; T320-M323 PolarHBondContact O-N 2.8Å; T320-M323 VanDerWaalsContact O-N 3.1Å; T320-E324 WeakPolarHBondContact O-CG 3.42Å; T320-E324 PolarHBondContact O-N 2.79Å; T320-Y361 PolarHBondContact N-O 3.34Å; T320-Y361 PolarHBondContact OG1-O 3.46Å; T320-W362 HydrophobicContact CG2-CE3 3.98Å; T320-W362 HydrophobicContact CG2-CZ3 4.47Å; T320-D364 WeakPolarHBondContact CB-OD1 3.33Å; T320-D364 WeakPolarHBondContact CG2-OD1 3.41Å; T320-D364 PolarHBondContact OG1-OD1 3.23Å; T320-L365 HydrophobicContact CG2-CB 3.92Å; T320-L365 HydrophobicContact CG2-CD1 4.02Å; T320-M368 HydrophobicContact CG2-CB 4.14Å; T320-M368 HydrophobicContact CG2-CG 4.46Å; T320-M368 HydrophobicContact CG2-SD 3.77Å
321	K	97.5	Very high	97.3	Very high	141 Å²	141	39.1 Å²	39.1	61%	0.613	19%	0.185	S	C	*	.	H	α-helix	trans	-56.1	-45.7	178.3	-177.9	-178	169.4	-172.6	0	111.8	G319 M323 E324 E325	G319-K321 VanDerWaalsContact C-N 3.3Å; G319-K321 PolarHBondContact O-N 2.81Å; K321-M323 VanDerWaalsContact C-N 3.35Å; K321-E324 PolarHBondContact O-N 3.42Å; K321-E325 WeakPolarHBondContact CE-OE1 3.42Å; K321-E325 HydrophobicContact CG-CG 4.48Å; K321-E325 IonicContact NZ-OE1 3.74Å; K321-E325 WeakPolarHBondContact O-CB 3.41Å; K321-E325 WeakPolarHBondContact O-CG 3.41Å; K321-E325 PolarHBondContact O-N 2.84Å
322	Q	96.6	Very high	97.2	Very high	67 Å²	67	46 Å²	46	31%	0.313	22%	0.217	S	C	.	.	H	α-helix	trans	-64.9	-41.4	178.2	-171.1	-168.5	20.6	0	0	111.1	Y317 G319 T320 E324 L326	Y317-Q322 HydrophobicContact CD1-CG 4.46Å; G319-Q322 PolarHBondContact O-N 2.95Å; T320-Q322 VanDerWaalsContact C-N 3.32Å; T320-Q322 PolarHBondContact O-N 3.25Å; Q322-E324 VanDerWaalsContact C-N 3.35Å; Q322-E324 PolarHBondContact O-N 3.26Å; Q322-L326 VanDerWaalsContact O-CB 3.27Å; Q322-L326 WeakPolarHBondContact O-CB 3.4Å; Q322-L326 PolarHBondContact O-N 2.92Å
323	M	97.6	Very high	97.2	Very high	1 Å²	1	48.5 Å²	48.5	1%	0.005	23%	0.231	C	C	.	.	H	α-helix	trans	-59.6	-45.1	176.2	-67.9	-179.4	172.6	0	0	111.3	Y317 G319 T320 K321 L326 V327 I346 W362 M368	Y317-M323 HydrophobicContact CD1-CG 3.88Å; Y317-M323 HydrophobicContact CD2-CE 3.21Å; Y317-M323 HydrophobicContact CD2-CG 4.04Å; Y317-M323 HydrophobicContact CD2-SD 4.43Å; Y317-M323 HydrophobicContact CE1-CG 4.14Å; Y317-M323 HydrophobicContact CE2-CE 3.82Å; Y317-M323 HydrophobicContact CE2-CG 4.23Å; Y317-M323 HydrophobicContact CG-CE 3.66Å; Y317-M323 HydrophobicContact CG-CG 3.83Å; G319-M323 PolarHBondContact O-N 2.67Å; T320-M323 WeakPolarHBondContact O-CB 3.11Å; T320-M323 PolarHBondContact O-N 2.8Å; T320-M323 VanDerWaalsContact O-N 3.1Å; K321-M323 VanDerWaalsContact C-N 3.35Å; M323-L326 PolarHBondContact O-N 2.87Å; M323-V327 VanDerWaalsContact O-CG2 3.28Å; M323-V327 WeakPolarHBondContact O-CG2 3.48Å; M323-V327 PolarHBondContact O-N 2.76Å; M323-I346 HydrophobicContact CE-CG2 4.18Å; M323-W362 HydrophobicContact CE-CH2 3.75Å; M323-W362 HydrophobicContact CE-CZ3 3.64Å; M323-W362 HydrophobicContact SD-CZ3 4.04Å; M323-M368 HydrophobicContact CB-SD 3.91Å; M323-M368 HydrophobicContact SD-CE 3.95Å; M323-M368 HydrophobicContact SD-SD 3.87Å
324	E	97.4	Very high	97.2	Very high	44 Å²	44	55.5 Å²	55.5	21%	0.206	26%	0.257	C	S	.	.	H	α-helix	trans	-68.5	-44.4	179.8	-66.8	-167.8	131.4	0	0	113.1	T320 K321 Q322 L326 V327 D328 M368 R371	T320-E324 WeakPolarHBondContact O-CG 3.42Å; T320-E324 PolarHBondContact O-N 2.79Å; K321-E324 PolarHBondContact O-N 3.42Å; Q322-E324 VanDerWaalsContact C-N 3.35Å; Q322-E324 PolarHBondContact O-N 3.26Å; E324-L326 PolarHBondContact O-N 3.38Å; E324-V327 PolarHBondContact O-N 3.26Å; E324-D328 PolarHBondContact O-N 3.09Å; E324-M368 HydrophobicContact CG-CG 3.55Å; E324-M368 HydrophobicContact CG-SD 4.26Å; E324-M368 WeakPolarHBondContact OE1-CG 3.27Å; E324-R371 IonicContact OE1-CZ 3.95Å; E324-R371 IonicContact OE1-NE 2.91Å; E324-R371 PolarHBondContact OE1-NE 3.25Å; E324-R371 IonicContact OE1-NH2 2.84Å; E324-R371 PolarHBondContact OE1-NH2 3.14Å; E324-R371 IonicContact OE2-CZ 3.47Å; E324-R371 IonicContact OE2-NE 3.52Å; E324-R371 IonicContact OE2-NH2 2.71Å; E324-R371 PolarHBondContact OE2-NH2 3.1Å
325	E	97.4	Very high	97.3	Very high	103 Å²	103	54.3 Å²	54.3	48%	0.481	25%	0.252	S	S	.	.	H	α-helix	trans	-58.6	-37.7	174.4	-74.8	176.8	170.9	0	0	111	K321 R329	K321-E325 WeakPolarHBondContact CE-OE1 3.42Å; K321-E325 HydrophobicContact CG-CG 4.48Å; K321-E325 IonicContact NZ-OE1 3.74Å; K321-E325 WeakPolarHBondContact O-CB 3.41Å; K321-E325 WeakPolarHBondContact O-CG 3.41Å; K321-E325 PolarHBondContact O-N 2.84Å; E325-R329 VanDerWaalsContact O-CG 3.3Å; E325-R329 WeakPolarHBondContact O-CG 3.44Å; E325-R329 PolarHBondContact O-N 2.54Å
326	L	97.2	Very high	97.3	Very high	4 Å²	4	51.5 Å²	51.5	2%	0.021	24%	0.242	C	C	.	.	H	α-helix	trans	-67.5	-45.8	175.2	174.8	54.7	0	0	0	112.1	L312 Y317 Q322 M323 E324 D328 R329 M330 E648 V650	L312-L326 HydrophobicContact CD2-CD1 4.21Å; L312-L326 HydrophobicContact CD2-CD2 3.54Å; L312-L326 HydrophobicContact CD2-CG 3.65Å; L312-L326 HydrophobicContact CG-CD2 4.25Å; Y317-L326 HydrophobicContact CE1-CD2 3.79Å; Q322-L326 VanDerWaalsContact O-CB 3.27Å; Q322-L326 WeakPolarHBondContact O-CB 3.4Å; Q322-L326 PolarHBondContact O-N 2.92Å; M323-L326 PolarHBondContact O-N 2.87Å; E324-L326 PolarHBondContact O-N 3.38Å; L326-D328 VanDerWaalsContact C-N 3.28Å; L326-D328 PolarHBondContact O-N 3.46Å; L326-R329 PolarHBondContact O-N 2.93Å; L326-M330 HydrophobicContact CD1-CG 4.28Å; L326-M330 VanDerWaalsContact O-CG 3.24Å; L326-M330 WeakPolarHBondContact O-CG 3.48Å; L326-M330 PolarHBondContact O-N 3.14Å; L326-E648 HydrophobicContact CD1-CB 3.83Å; L326-E648 HydrophobicContact CD1-CG 3.45Å; L326-E648 VanDerWaalsContact CD1-CG 3.45Å; L326-E648 HydrophobicContact CD2-CB 4.43Å; L326-V650 HydrophobicContact CD1-CG2 3.89Å
327	V	97.7	Very high	97.5	Very high	5 Å²	5	50.8 Å²	50.8	3%	0.03	23%	0.233	C	C	.	.	H	α-helix	trans	-57.3	-42.6	174.5	167.7	0	0	0	0	111.2	M323 E324 M330 E331 L337 L372 K375 I377	M323-V327 VanDerWaalsContact O-CG2 3.28Å; M323-V327 WeakPolarHBondContact O-CG2 3.48Å; M323-V327 PolarHBondContact O-N 2.76Å; E324-V327 PolarHBondContact O-N 3.26Å; V327-M330 WeakPolarHBondContact O-CB 3.24Å; V327-M330 PolarHBondContact O-N 2.9Å; V327-E331 PolarHBondContact O-N 3.29Å; V327-L337 HydrophobicContact CB-CD2 4.47Å; V327-L337 HydrophobicContact CG1-CD2 4.49Å; V327-L337 HydrophobicContact CG2-CD2 3.78Å; V327-L372 HydrophobicContact CB-CD2 4.37Å; V327-L372 HydrophobicContact CG1-CD2 4.07Å; V327-L372 HydrophobicContact CG2-CD2 3.8Å; V327-K375 HydrophobicContact CG1-CD 4.28Å; V327-I377 HydrophobicContact CG1-CD1 3.43Å; V327-I377 VanDerWaalsContact CG1-CD1 3.43Å; V327-I377 HydrophobicContact CG2-CD1 4.48Å
328	D	97.8	Very high	97.6	Very high	63 Å²	63	50.3 Å²	50.3	34%	0.337	23%	0.231	S	C	.	.	H	α-helix	trans	-67.1	-40.2	177.3	-75.7	-14	0	0	0	112	E324 L326 M330 E331 Q332 K375	E324-D328 PolarHBondContact O-N 3.09Å; L326-D328 VanDerWaalsContact C-N 3.28Å; L326-D328 PolarHBondContact O-N 3.46Å; D328-M330 VanDerWaalsContact C-N 3.31Å; D328-M330 PolarHBondContact O-N 2.84Å; D328-E331 PolarHBondContact O-N 2.81Å; D328-Q332 WeakPolarHBondContact O-CB 3.26Å; D328-Q332 WeakPolarHBondContact O-CG 3.37Å; D328-Q332 PolarHBondContact O-N 2.75Å; D328-K375 IonicContact OD1-NZ 3.54Å; D328-K375 PolarHBondContact OD1-NZ 3.24Å
329	R	98	Very high	97.9	Very high	93 Å²	93	45.2 Å²	45.2	35%	0.351	20%	0.204	S	C	.	.	H	α-helix	trans	-62.3	-38.1	173.5	-74.2	-172.2	-59.4	153.3	5.6	112	E325 L326 Q332 N333 E648 V650	E325-R329 VanDerWaalsContact O-CG 3.3Å; E325-R329 WeakPolarHBondContact O-CG 3.44Å; E325-R329 PolarHBondContact O-N 2.54Å; L326-R329 PolarHBondContact O-N 2.93Å; R329-Q332 PolarHBondContact O-N 3.43Å; R329-N333 WeakPolarHBondContact O-CB 3.4Å; R329-N333 PolarHBondContact O-N 2.83Å; R329-N333 PolarHBondContact O-ND2 3.18Å; R329-E648 IonicContact CZ-OE1 3.65Å; R329-E648 IonicContact NH1-OE1 3.71Å; R329-E648 IonicContact NH2-OE1 2.78Å; R329-E648 PolarHBondContact NH2-OE1 3.12Å; R329-V650 HydrophobicContact CB-CG2 3.98Å
330	M	98.3	Very high	98	Very high	1 Å²	1	45.1 Å²	45.1	1%	0.005	20%	0.203	C	C	.	.	H	α-helix	trans	-61.1	-48.7	174	-66.8	-75.4	-74.5	0	0	110.7	F310 L312 L326 V327 D328 Q332 N333 R334 V335 P649 V650	F310-M330 HydrophobicContact CD1-CE 4.14Å; F310-M330 HydrophobicContact CE1-CE 4.08Å; L312-M330 HydrophobicContact CD2-CG 4.33Å; L326-M330 HydrophobicContact CD1-CG 4.28Å; L326-M330 VanDerWaalsContact O-CG 3.24Å; L326-M330 WeakPolarHBondContact O-CG 3.48Å; L326-M330 PolarHBondContact O-N 3.14Å; V327-M330 WeakPolarHBondContact O-CB 3.24Å; V327-M330 PolarHBondContact O-N 2.9Å; D328-M330 VanDerWaalsContact C-N 3.31Å; D328-M330 PolarHBondContact O-N 2.84Å; M330-Q332 PolarHBondContact O-N 3.07Å; M330-N333 CarbonylContact O-C 3.48Å; M330-N333 PolarHBondContact O-N 3.42Å; M330-R334 PolarHBondContact O-N 3.35Å; M330-R334 VanDerWaalsContact O-N 3.1Å; M330-V335 HydrophobicContact CB-CB 4.44Å; M330-V335 HydrophobicContact CE-CB 3.76Å; M330-V335 HydrophobicContact CE-CG1 3.32Å; M330-V335 PolarHBondContact O-N 3.33Å; M330-V335 HydrophobicContact SD-CB 4Å; M330-V335 HydrophobicContact SD-CG1 4.07Å; M330-V335 HydrophobicContact SD-CG2 4.46Å; M330-P649 HydrophobicContact CE-CB 4.09Å; M330-P649 HydrophobicContact CE-CG 3.86Å; M330-P649 HydrophobicContact SD-CB 3.86Å; M330-P649 HydrophobicContact SD-CG 4.11Å; M330-V650 HydrophobicContact SD-CG1 3.96Å; M330-V650 HydrophobicContact SD-CG2 4.13Å
331	E	97.5	Very high	98	Very high	65 Å²	65	45 Å²	45	30%	0.304	20%	0.202	S	C	.	.	H	α-helix	trans	-61.9	-44.1	177.5	-176.5	162.8	-143.4	0	0	112.1	V327 D328 N333 R334 K375 L780 R784	V327-E331 PolarHBondContact O-N 3.29Å; D328-E331 PolarHBondContact O-N 2.81Å; E331-N333 VanDerWaalsContact C-N 3.33Å; E331-N333 PolarHBondContact O-N 3.22Å; E331-R334 WeakPolarHBondContact O-CA 3.46Å; E331-R334 PolarHBondContact O-N 3.47Å; E331-K375 IonicContact OE2-NZ 2.64Å; E331-K375 PolarHBondContact OE2-NZ 2.74Å; E331-L780 HydrophobicContact CG-CD1 4.03Å; E331-R784 IonicContact OE1-CZ 3.88Å; E331-R784 IonicContact OE1-NH1 2.78Å; E331-R784 PolarHBondContact OE1-NH1 3.31Å; E331-R784 IonicContact OE1-NH2 2.63Å
332	Q	97.9	Very high	98	Very high	143 Å²	143	38.2 Å²	38.2	67%	0.668	17%	0.173	S	C	*	.	H	α-helix	trans	-60	-39.9	177	-72.7	165.4	19	0	0	112.6	D328 R329 M330 R334	D328-Q332 WeakPolarHBondContact O-CB 3.26Å; D328-Q332 WeakPolarHBondContact O-CG 3.37Å; D328-Q332 PolarHBondContact O-N 2.75Å; R329-Q332 PolarHBondContact O-N 3.43Å; M330-Q332 PolarHBondContact O-N 3.07Å; Q332-R334 PolarHBondContact O-N 2.61Å
333	N	98.5	Very high	98.1	Very high	56 Å²	56	35.5 Å²	35.5	30%	0.299	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.4	9.1	176.4	-71.2	-83.3	0	0	0	113	R329 M330 E331 V335 V650 A657 S661	R329-N333 WeakPolarHBondContact O-CB 3.4Å; R329-N333 PolarHBondContact O-N 2.83Å; R329-N333 PolarHBondContact O-ND2 3.18Å; M330-N333 CarbonylContact O-C 3.48Å; M330-N333 PolarHBondContact O-N 3.42Å; E331-N333 VanDerWaalsContact C-N 3.33Å; E331-N333 PolarHBondContact O-N 3.22Å; N333-V335 HydrophobicContact CB-CG2 4.2Å; N333-V335 PolarHBondContact O-N 3.35Å; N333-V335 VanDerWaalsContact O-N 3.17Å; N333-V650 HydrophobicContact CB-CG1 3.66Å; N333-A657 HydrophobicContact CB-CB 4.2Å; N333-S661 WeakPolarHBondContact O-CB 3.44Å; N333-S661 PolarHBondContact O-OG 3.09Å
334	R	97.9	Very high	98.1	Very high	149 Å²	149	35.7 Å²	35.7	56%	0.562	16%	0.161	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.9	27.3	179.6	-47.8	-170	79.8	-175.6	6.5	113.5	M330 E331 Q332 P336 S661 L780	M330-R334 PolarHBondContact O-N 3.35Å; M330-R334 VanDerWaalsContact O-N 3.1Å; E331-R334 WeakPolarHBondContact O-CA 3.46Å; E331-R334 PolarHBondContact O-N 3.47Å; Q332-R334 PolarHBondContact O-N 2.61Å; R334-P336 WeakPolarHBondContact O-CD 3.46Å; R334-S661 PolarHBondContact O-OG 3.04Å; R334-L780 VanDerWaalsContact C-CD2 3.45Å; R334-L780 HydrophobicContact CB-CD2 3.95Å; R334-L780 VanDerWaalsContact O-CD2 3.24Å; R334-L780 WeakPolarHBondContact O-CD2 2.92Å
335	V	98.5	Very high	98	Very high	2 Å²	2	35.4 Å²	35.4	1%	0.012	16%	0.161	C	C	.	.			trans	-83.1	119.4	173.3	-172.4	0	0	0	0	108.2	M330 N333 P649 V650 I664	M330-V335 HydrophobicContact CB-CB 4.44Å; M330-V335 HydrophobicContact CE-CB 3.76Å; M330-V335 HydrophobicContact CE-CG1 3.32Å; M330-V335 PolarHBondContact O-N 3.33Å; M330-V335 HydrophobicContact SD-CB 4Å; M330-V335 HydrophobicContact SD-CG1 4.07Å; M330-V335 HydrophobicContact SD-CG2 4.46Å; N333-V335 HydrophobicContact CB-CG2 4.2Å; N333-V335 PolarHBondContact O-N 3.35Å; N333-V335 VanDerWaalsContact O-N 3.17Å; V335-P649 HydrophobicContact CB-CB 4.49Å; V335-P649 HydrophobicContact CG1-CB 3.79Å; V335-P649 HydrophobicContact CG1-CG 4.2Å; V335-P649 HydrophobicContact CG2-CB 4.17Å; V335-V650 HydrophobicContact CG2-CG1 4.02Å; V335-I664 HydrophobicContact CG1-CD1 3.66Å
336	P	98.4	Very high	98	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	14%	0.139	C	C	.	.			trans	-64.1	143.4	177.7	-23.4	35.3	0	0	0	112.8	F310 R334 I664 R665 Y668 A779 L780	F310-P336 WeakPolarHBondContact CB-O 3.32Å; R334-P336 WeakPolarHBondContact O-CD 3.46Å; P336-I664 HydrophobicContact CB-CG2 4.14Å; P336-I664 HydrophobicContact CG-CG2 4.09Å; P336-R665 HydrophobicContact CG-CG 3.42Å; P336-R665 VanDerWaalsContact CG-CG 3.42Å; P336-Y668 HydrophobicContact CB-CD1 3.93Å; P336-Y668 HydrophobicContact CB-CD2 4.07Å; P336-Y668 HydrophobicContact CB-CE1 3.42Å; P336-Y668 VanDerWaalsContact CB-CE1 3.42Å; P336-Y668 HydrophobicContact CB-CE2 3.58Å; P336-Y668 HydrophobicContact CB-CG 4.2Å; P336-Y668 VanDerWaalsContact CB-OH 3.26Å; P336-Y668 WeakPolarHBondContact CB-OH 3.21Å; P336-Y668 HydrophobicContact CG-CD1 4.43Å; P336-Y668 HydrophobicContact CG-CD2 4.35Å; P336-Y668 HydrophobicContact CG-CE1 4.38Å; P336-Y668 HydrophobicContact CG-CE2 4.27Å; P336-Y668 HydrophobicContact CG-CG 4.38Å; P336-Y668 PolarHBondContact O-OH 3.05Å; P336-A779 WeakPolarHBondContact CG-O 3.48Å; P336-L780 VanDerWaalsContact CA-O 3.27Å; P336-L780 WeakPolarHBondContact CA-O 3.45Å; P336-L780 HydrophobicContact CG-CD2 4.45Å
337	L	98.7	Very high	98	Very high	7 Å²	7	30.6 Å²	30.6	4%	0.037	14%	0.139	C	C	.	.			trans	-143.5	129.3	177.2	178.7	62.6	0	0	0	109.6	F310 L312 V327 I377 Y668 L780	F310-L337 HydrophobicContact CD1-CD1 4.22Å; L312-L337 HydrophobicContact CB-CD1 3.62Å; L312-L337 HydrophobicContact CD2-CD2 4.38Å; V327-L337 HydrophobicContact CB-CD2 4.47Å; V327-L337 HydrophobicContact CG1-CD2 4.49Å; V327-L337 HydrophobicContact CG2-CD2 3.78Å; L337-I377 HydrophobicContact CD2-CD1 4.08Å; L337-I377 HydrophobicContact CG-CD1 4.34Å; L337-I377 HydrophobicContact CG-CG2 4.47Å; L337-Y668 PolarHBondContact N-OH 3.23Å; L337-L780 PolarHBondContact N-O 3.05Å; L337-L780 VanDerWaalsContact N-O 3.07Å
338	D	98.7	Very high	97.9	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	14%	0.142	C	C	.	.			trans	-116.1	-26	178.4	-83.9	-85.3	0	0	0	113.2	W306 G309 F310 I377 H378 Y668 T782	W306-D338 WeakPolarHBondContact O-CB 3.36Å; G309-D338 WeakPolarHBondContact CA-OD2 3.23Å; F310-D338 PolarHBondContact O-N 2.94Å; D338-I377 WeakPolarHBondContact O-CA 3.35Å; D338-H378 PolarHBondContact O-N 3.2Å; D338-H378 PolarHBondContact O-ND1 2.85Å; D338-Y668 WeakPolarHBondContact OD2-CE1 3.49Å; D338-Y668 PolarHBondContact OD2-OH 3.24Å; D338-T782 VanDerWaalsContact CG-CG2 3.5Å; D338-T782 VanDerWaalsContact CG-N 3.34Å; D338-T782 VanDerWaalsContact OD1-CB 3.25Å; D338-T782 WeakPolarHBondContact OD1-CB 3.5Å; D338-T782 WeakPolarHBondContact OD1-CG2 3.47Å; D338-T782 PolarHBondContact OD1-N 2.64Å; D338-T782 PolarHBondContact OD1-OG1 2.86Å; D338-T782 VanDerWaalsContact OD2-CG2 3.25Å; D338-T782 WeakPolarHBondContact OD2-CG2 3.25Å; D338-T782 PolarHBondContact OD2-N 2.86Å
339	V	98.8	Very high	97.8	Very high	0 Å²	0	34 Å²	34	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	122.6	-174.5	-169.8	0	0	0	0	111.5	W306 F310 H311 L312 H378 V380	W306-V339 HydrophobicContact CE3-CG2 3.5Å; W306-V339 VanDerWaalsContact CE3-CG2 3.5Å; W306-V339 HydrophobicContact CZ3-CG1 4.45Å; W306-V339 HydrophobicContact CZ3-CG2 3.55Å; F310-V339 PolarHBondContact O-N 3.47Å; H311-V339 WeakPolarHBondContact CA-O 3.27Å; H311-V339 HydrophobicContact CB-CB 4.31Å; H311-V339 WeakPolarHBondContact CE1-CG2 3.3Å; H311-V339 VanDerWaalsContact NE2-CG2 3.34Å; H311-V339 WeakPolarHBondContact NE2-CG2 3.21Å; L312-V339 PolarHBondContact N-O 3.42Å; V339-H378 WeakPolarHBondContact CA-O 3.4Å; V339-H378 HydrophobicContact CG2-CB 4.38Å; V339-V380 HydrophobicContact CG1-CB 4.16Å; V339-V380 HydrophobicContact CG1-CG2 3.6Å
340	Q	98.6	Very high	97.7	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	129.1	166.8	-177.1	59.8	52.2	0	0	109	L312 Y317 L372 I377 H378 F379 V380	L312-Q340 PolarHBondContact O-NE2 2.57Å; Y317-Q340 PolarHBondContact OH-NE2 2.66Å; Y317-Q340 VanDerWaalsContact OH-NE2 3.16Å; Q340-L372 HydrophobicContact CB-CD1 3.81Å; Q340-L372 HydrophobicContact CG-CD1 4.08Å; Q340-I377 HydrophobicContact CB-CG2 4.1Å; Q340-H378 PolarHBondContact N-O 3.29Å; Q340-F379 HydrophobicContact CB-CD2 4.4Å; Q340-F379 HydrophobicContact CG-CD2 4.43Å; Q340-F379 WeakPolarHBondContact O-CA 3.4Å; Q340-F379 WeakPolarHBondContact O-CD2 3.4Å; Q340-V380 PolarHBondContact O-N 2.86Å; Q340-V380 VanDerWaalsContact O-N 3.08Å
341	W	98.7	Very high	97.7	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	146.3	178.1	-62.9	64.8	0	0	0	110	H311 L312 S313 V380 W471 F561 V563 L635	H311-W341 AromaticContact CG-NE1 3.55Å; H311-W341 AromaticContact ND1-CE2 3.45Å; H311-W341 AromaticContact ND1-CZ2 3.3Å; H311-W341 VanDerWaalsContact ND1-CZ2 3.3Å; H311-W341 WeakPolarHBondContact ND1-CZ2 3.4Å; H311-W341 AromaticContact ND1-NE1 3.05Å; H311-W341 PolarHBondContact ND1-NE1 3.19Å; L312-W341 VanDerWaalsContact O-CD1 3.31Å; L312-W341 PolarHBondContact O-N 2.89Å; S313-W341 WeakPolarHBondContact OG-CB 3.47Å; W341-V380 VanDerWaalsContact CA-O 3.28Å; W341-V380 WeakPolarHBondContact CA-O 3.49Å; W341-V380 HydrophobicContact CD2-CB 4.1Å; W341-V380 HydrophobicContact CD2-CG1 4.16Å; W341-V380 HydrophobicContact CE3-CB 4.17Å; W341-V380 HydrophobicContact CE3-CG1 3.74Å; W341-V380 HydrophobicContact CH2-CG1 4.03Å; W341-V380 HydrophobicContact CZ2-CG1 4.4Å; W341-V380 HydrophobicContact CZ3-CG1 3.72Å; W341-W471 HydrophobicContact CE3-CB 3.72Å; W341-W471 AromaticContact CE3-CD2 3.75Å; W341-W471 HydrophobicContact CE3-CD2 3.75Å; W341-W471 AromaticContact CE3-CE3 3.69Å; W341-W471 HydrophobicContact CE3-CE3 3.69Å; W341-W471 AromaticContact CE3-CG 3.77Å; W341-W471 HydrophobicContact CE3-CG 3.77Å; W341-W471 HydrophobicContact CZ3-CB 3.39Å; W341-W471 AromaticContact CZ3-CD1 3.95Å; W341-W471 AromaticContact CZ3-CD2 3.85Å; W341-W471 HydrophobicContact CZ3-CD2 3.85Å; W341-W471 HydrophobicContact CZ3-CE3 4.28Å; W341-W471 AromaticContact CZ3-CG 3.43Å; W341-W471 HydrophobicContact CZ3-CG 3.43Å; W341-W471 VanDerWaalsContact CZ3-CG 3.43Å; W341-F561 AromaticContact CH2-CE1 4Å; W341-F561 HydrophobicContact CH2-CE1 4Å; W341-F561 HydrophobicContact CH2-CZ 4.43Å; W341-F561 AromaticContact CZ2-CE1 3.96Å; W341-F561 HydrophobicContact CZ2-CE1 3.96Å; W341-F561 HydrophobicContact CZ2-CZ 4.27Å; W341-V563 HydrophobicContact CH2-CB 3.76Å; W341-V563 HydrophobicContact CH2-CG1 3.98Å; W341-V563 HydrophobicContact CH2-CG2 3.79Å; W341-V563 HydrophobicContact CZ3-CB 4.25Å; W341-V563 HydrophobicContact CZ3-CG1 4.35Å; W341-L635 HydrophobicContact CZ2-CD1 4.42Å
342	G	98.1	Very high	97.7	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	110.2	169.5	0	0	0	0	0	109.3	V380 P381 I382	G342-V380 PolarHBondContact N-O 3.46Å; G342-P381 CarbonylContact O-C 3.26Å; G342-P381 WeakPolarHBondContact O-CA 3.33Å; G342-I382 WeakPolarHBondContact O-CG2 3.19Å; G342-I382 PolarHBondContact O-N 3.1Å
343	D	98.1	Very high	97.7	Very high	9 Å²	9	24.1 Å²	24.1	5%	0.048	11%	0.108	C	C	.	.			trans	-79.2	-179.7	174.9	-148.4	-38.3	0	0	0	111.5	W315 D345 I346 W471 H639	W315-D343 WeakPolarHBondContact CA-OD2 3.49Å; W315-D343 WeakPolarHBondContact CB-OD2 3.37Å; D343-D345 PolarHBondContact O-N 2.82Å; D343-I346 WeakPolarHBondContact O-CG1 3.06Å; D343-I346 PolarHBondContact O-N 2.83Å; D343-W471 HydrophobicContact CB-CZ3 3.98Å; D343-W471 VanDerWaalsContact CG-CZ3 3.49Å; D343-W471 VanDerWaalsContact OD2-CH2 3.27Å; D343-W471 WeakPolarHBondContact OD2-CH2 3.46Å; D343-W471 WeakPolarHBondContact OD2-CZ3 3.38Å; D343-H639 IonicContact OD2-CE1 2.93Å; D343-H639 PolarHBondContact OD2-CE1 3Å; D343-H639 IonicContact OD2-NE2 2.97Å; D343-H639 PolarHBondContact OD2-NE2 2.93Å
344	I	97.2	Very high	97.7	Very high	5 Å²	5	21.8 Å²	21.8	3%	0.026	10%	0.096	C	C	.	.	G	3₁₀ helix	trans	-54.3	-17.4	-176.7	59.3	175.5	0	0	0	113.8	I346 M347 K350 I382 W436	I344-I346 PolarHBondContact O-N 2.9Å; I344-M347 HydrophobicContact CG2-CE 4.37Å; I344-M347 WeakPolarHBondContact O-CB 3.23Å; I344-M347 PolarHBondContact O-N 2.83Å; I344-M347 VanDerWaalsContact O-N 3.15Å; I344-K350 HydrophobicContact CB-CG 4.36Å; I344-K350 HydrophobicContact CD1-CD 4.03Å; I344-K350 HydrophobicContact CD1-CG 4.49Å; I344-I382 HydrophobicContact CG2-CD1 3.93Å; I344-I382 HydrophobicContact CG2-CG1 4.46Å; I344-I382 HydrophobicContact CG2-CG2 3.97Å; I344-I382 VanDerWaalsContact N-CG2 3.33Å; I344-W436 HydrophobicContact CD1-CD2 4Å; I344-W436 HydrophobicContact CD1-CE3 4.34Å; I344-W436 HydrophobicContact CD1-CG 4.31Å; I344-W436 HydrophobicContact CD1-CZ2 4.41Å
345	D	96.4	Very high	97.6	Very high	38 Å²	38	16.4 Å²	16.4	20%	0.203	8%	0.076	C	C	.	.	G	3₁₀ helix	trans	-64.6	-29.3	176.5	-44.8	-67	0	0	0	112.6	W315 G316 D343 M347 W362	W315-D345 PolarHBondContact NE1-OD1 2.79Å; G316-D345 PolarHBondContact N-OD1 2.89Å; G316-D345 PolarHBondContact N-OD2 2.8Å; D343-D345 PolarHBondContact O-N 2.82Å; D345-M347 PolarHBondContact O-N 3.41Å; D345-W362 HydrophobicContact CB-CH2 4.38Å; D345-W362 HydrophobicContact CB-CZ2 3.74Å; D345-W362 PolarHBondContact O-NE1 2.81Å
346	I	97.5	Very high	97.4	Very high	1 Å²	1	17.6 Å²	17.6	1%	0.005	8%	0.082	C	C	.	.	G	3₁₀ helix	trans	-68.6	-28.3	176.9	78.3	179.5	0	0	0	111	M323 D343 I344 Y355 D356 W362 L365 F379 P381	M323-I346 HydrophobicContact CE-CG2 4.18Å; D343-I346 WeakPolarHBondContact O-CG1 3.06Å; D343-I346 PolarHBondContact O-N 2.83Å; I344-I346 PolarHBondContact O-N 2.9Å; I346-Y355 CarbonylContact O-C 3.32Å; I346-Y355 WeakPolarHBondContact O-CA 3.14Å; I346-Y355 WeakPolarHBondContact O-CB 3.49Å; I346-D356 PolarHBondContact O-N 3.01Å; I346-W362 HydrophobicContact CB-CE3 4.34Å; I346-W362 HydrophobicContact CB-CZ3 4.48Å; I346-W362 HydrophobicContact CG2-CE3 3.99Å; I346-W362 HydrophobicContact CG2-CH2 3.96Å; I346-W362 HydrophobicContact CG2-CZ3 3.67Å; I346-L365 HydrophobicContact CB-CD2 3.98Å; I346-L365 HydrophobicContact CD1-CD2 4.21Å; I346-L365 HydrophobicContact CG1-CD2 4.45Å; I346-L365 HydrophobicContact CG2-CD2 4.46Å; I346-F379 HydrophobicContact CD1-CE1 4.39Å; I346-F379 HydrophobicContact CD1-CZ 4.15Å; I346-P381 HydrophobicContact CD1-CB 3.85Å
347	M	97.1	Very high	97.2	Very high	6 Å²	6	18 Å²	18	3%	0.03	8%	0.084	C	C	.	.	S	Bend	trans	-74.7	147.2	-172.5	-60.8	-172.3	-175	0	0	111.2	I344 D345 H349 I382	I344-M347 HydrophobicContact CG2-CE 4.37Å; I344-M347 WeakPolarHBondContact O-CB 3.23Å; I344-M347 PolarHBondContact O-N 2.83Å; I344-M347 VanDerWaalsContact O-N 3.15Å; D345-M347 PolarHBondContact O-N 3.41Å; M347-H349 PolarHBondContact O-N 2.81Å; M347-H349 VanDerWaalsContact O-N 3.16Å; M347-I382 HydrophobicContact CE-CB 4.26Å; M347-I382 HydrophobicContact CE-CG1 4.44Å; M347-I382 HydrophobicContact CE-CG2 3.4Å; M347-I382 WeakPolarHBondContact CE-O 3.22Å
348	K	95.7	Very high	96.9	Very high	23 Å²	23	18.9 Å²	18.9	10%	0.1	9%	0.091	C	C	.	.	G	3₁₀ helix	trans	-70.2	115.6	170.4	-177	67	178.4	-163.7	0	109.6	K350 Y351 T354 D356 F393 E394 N395	K348-K350 PolarHBondContact O-N 2.62Å; K348-Y351 VanDerWaalsContact O-CB 3.25Å; K348-Y351 WeakPolarHBondContact O-CB 3.39Å; K348-Y351 PolarHBondContact O-N 2.59Å; K348-T354 PolarHBondContact N-OG1 2.72Å; K348-D356 HydrophobicContact CB-CB 4.4Å; K348-D356 HydrophobicContact CD-CB 4.02Å; K348-D356 VanDerWaalsContact CD-OD1 3.3Å; K348-D356 WeakPolarHBondContact CD-OD1 3Å; K348-D356 WeakPolarHBondContact CD-OD2 3.19Å; K348-D356 IonicContact NZ-OD1 2.99Å; K348-D356 PolarHBondContact NZ-OD1 3.28Å; K348-D356 IonicContact NZ-OD2 3.39Å; K348-D356 PolarHBondContact NZ-OD2 2.8Å; K348-F393 HydrophobicContact CB-CD2 4.32Å; K348-F393 HydrophobicContact CB-CE2 3.79Å; K348-F393 HydrophobicContact CG-CD2 3.62Å; K348-F393 HydrophobicContact CG-CE2 3.58Å; K348-E394 WeakPolarHBondContact CE-O 3.2Å; K348-E394 PolarHBondContact NZ-O 2.88Å; K348-N395 HydrophobicContact CB-CB 4.46Å; K348-N395 HydrophobicContact CD-CB 4.48Å; K348-N395 HydrophobicContact CG-CB 4.06Å
349	H	95.1	Very high	96.6	Very high	116 Å²	116	20 Å²	20	54%	0.537	10%	0.099	S	C	.	.	G	3₁₀ helix	trans	49.6	29.4	-179.6	-60.2	-55.3	0	0	0	114	M347 Y351	M347-H349 PolarHBondContact O-N 2.81Å; M347-H349 VanDerWaalsContact O-N 3.16Å; H349-Y351 VanDerWaalsContact C-N 3.25Å; H349-Y351 HydrophobicContact CB-CD1 3.9Å; H349-Y351 HydrophobicContact CB-CD2 4.49Å; H349-Y351 HydrophobicContact CB-CE1 3.43Å; H349-Y351 VanDerWaalsContact CB-CE1 3.43Å; H349-Y351 HydrophobicContact CB-CE2 4.1Å; H349-Y351 HydrophobicContact CB-CG 4.4Å; H349-Y351 WeakPolarHBondContact O-CD1 3.48Å; H349-Y351 VanDerWaalsContact O-CE1 3.28Å; H349-Y351 WeakPolarHBondContact O-CE1 3.1Å; H349-Y351 PolarHBondContact O-N 2.89Å
350	K	96.8	Very high	96.2	Very high	59 Å²	59	24.5 Å²	24.5	26%	0.257	13%	0.13	S	C	.	.	G	3₁₀ helix	trans	63.6	25.9	-176.2	-46.9	175.8	178.4	-172.7	0	113.9	I344 K348 W436	I344-K350 HydrophobicContact CB-CG 4.36Å; I344-K350 HydrophobicContact CD1-CD 4.03Å; I344-K350 HydrophobicContact CD1-CG 4.49Å; K348-K350 PolarHBondContact O-N 2.62Å; K350-W436 HydrophobicContact CB-CB 4.08Å; K350-W436 HydrophobicContact CD-CB 3.82Å; K350-W436 HydrophobicContact CD-CD2 4.31Å; K350-W436 HydrophobicContact CD-CE3 3.95Å; K350-W436 HydrophobicContact CD-CG 4.31Å
351	Y	97.9	Very high	96.1	Very high	20 Å²	20	30 Å²	30	8%	0.078	15%	0.152	C	C	.	.			trans	-82.7	121.4	176.8	-59.3	-6.4	0	0	0	109.6	K348 H349 T354 R388 I390 F393 P437	K348-Y351 VanDerWaalsContact O-CB 3.25Å; K348-Y351 WeakPolarHBondContact O-CB 3.39Å; K348-Y351 PolarHBondContact O-N 2.59Å; H349-Y351 VanDerWaalsContact C-N 3.25Å; H349-Y351 HydrophobicContact CB-CD1 3.9Å; H349-Y351 HydrophobicContact CB-CD2 4.49Å; H349-Y351 HydrophobicContact CB-CE1 3.43Å; H349-Y351 VanDerWaalsContact CB-CE1 3.43Å; H349-Y351 HydrophobicContact CB-CE2 4.1Å; H349-Y351 HydrophobicContact CB-CG 4.4Å; H349-Y351 WeakPolarHBondContact O-CD1 3.48Å; H349-Y351 VanDerWaalsContact O-CE1 3.28Å; H349-Y351 WeakPolarHBondContact O-CE1 3.1Å; H349-Y351 PolarHBondContact O-N 2.89Å; Y351-T354 WeakPolarHBondContact O-CB 3.24Å; Y351-T354 PolarHBondContact O-N 2.67Å; Y351-T354 PolarHBondContact O-OG1 3.19Å; Y351-R388 HydrophobicContact CD1-CB 3.69Å; Y351-R388 HydrophobicContact CD1-CG 3.84Å; Y351-R388 HydrophobicContact CD2-CB 4.47Å; Y351-R388 HydrophobicContact CD2-CG 4.45Å; Y351-R388 HydrophobicContact CE1-CB 3.87Å; Y351-R388 HydrophobicContact CE1-CG 3.46Å; Y351-R388 VanDerWaalsContact CE1-CG 3.46Å; Y351-R388 HydrophobicContact CE2-CG 4.1Å; Y351-R388 HydrophobicContact CG-CB 4.04Å; Y351-R388 HydrophobicContact CG-CG 4.34Å; Y351-I390 HydrophobicContact CE2-CG2 4.11Å; Y351-F393 AromaticContact CD2-CD2 3.76Å; Y351-F393 HydrophobicContact CD2-CD2 3.76Å; Y351-F393 AromaticContact CD2-CE2 3.98Å; Y351-F393 HydrophobicContact CD2-CE2 3.98Å; Y351-F393 HydrophobicContact CD2-CG 4.23Å; Y351-F393 HydrophobicContact CE2-CB 4.16Å; Y351-F393 AromaticContact CE2-CD2 3.87Å; Y351-F393 HydrophobicContact CE2-CD2 3.87Å; Y351-F393 HydrophobicContact CE2-CG 4.13Å; Y351-P437 HydrophobicContact CD1-CB 3.68Å; Y351-P437 HydrophobicContact CE1-CB 4.04Å
352	S	98	Very high	95.9	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.7	148.5	178.6	-55.1	0	0	0	0	112.8	T354 D384 Y408	S352-T354 PolarHBondContact O-N 3.25Å; S352-D384 WeakPolarHBondContact CB-O 3.39Å; S352-D384 PolarHBondContact OG-O 2.78Å; S352-Y408 PolarHBondContact N-OH 3.26Å; S352-Y408 PolarHBondContact O-OH 2.98Å; S352-Y408 VanDerWaalsContact O-OH 3.09Å
353	F	97.9	Very high	95.7	Very high	15 Å²	15	32.9 Å²	32.9	7%	0.066	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	61	25.7	-176.2	-53.7	-72.2	0	0	0	114.9	V383 I387 P410 W454 Q457 I458 Y461	F353-V383 HydrophobicContact CE1-CG1 3.88Å; F353-V383 HydrophobicContact CE1-CG2 4.26Å; F353-V383 HydrophobicContact CE2-CG1 4.12Å; F353-V383 HydrophobicContact CZ-CG1 3.67Å; F353-I387 HydrophobicContact CE2-CD1 4.44Å; F353-P410 HydrophobicContact CB-CG 3.98Å; F353-P410 HydrophobicContact CD2-CB 4.25Å; F353-P410 HydrophobicContact CD2-CG 3.88Å; F353-P410 HydrophobicContact CG-CG 4.36Å; F353-W454 HydrophobicContact CE2-CE3 4.2Å; F353-W454 AromaticContact CE2-CH2 3.71Å; F353-W454 HydrophobicContact CE2-CH2 3.71Å; F353-W454 HydrophobicContact CE2-CZ2 4.43Å; F353-W454 AromaticContact CE2-CZ3 3.58Å; F353-W454 HydrophobicContact CE2-CZ3 3.58Å; F353-W454 HydrophobicContact CZ-CD2 4.22Å; F353-W454 AromaticContact CZ-CE3 3.98Å; F353-W454 HydrophobicContact CZ-CE3 3.98Å; F353-W454 AromaticContact CZ-CH2 3.44Å; F353-W454 HydrophobicContact CZ-CH2 3.44Å; F353-W454 VanDerWaalsContact CZ-CH2 3.44Å; F353-W454 AromaticContact CZ-CZ2 3.71Å; F353-W454 HydrophobicContact CZ-CZ2 3.71Å; F353-W454 AromaticContact CZ-CZ3 3.6Å; F353-W454 HydrophobicContact CZ-CZ3 3.6Å; F353-Q457 HydrophobicContact CD1-CB 4.14Å; F353-Q457 HydrophobicContact CD2-CB 3.85Å; F353-Q457 HydrophobicContact CD2-CG 4.34Å; F353-Q457 HydrophobicContact CE1-CB 4.03Å; F353-Q457 HydrophobicContact CE2-CB 3.71Å; F353-Q457 HydrophobicContact CE2-CG 4.21Å; F353-Q457 HydrophobicContact CG-CB 4.04Å; F353-Q457 HydrophobicContact CZ-CB 3.8Å; F353-I458 HydrophobicContact CE1-CG1 3.79Å; F353-I458 HydrophobicContact CZ-CG1 4.32Å; F353-Y461 VanDerWaalsContact C-CD2 3.48Å; F353-Y461 HydrophobicContact CB-CD2 4.41Å; F353-Y461 HydrophobicContact CB-CG 4.32Å; F353-Y461 HydrophobicContact CD1-CD1 4.12Å; F353-Y461 HydrophobicContact CD1-CG 4.12Å; F353-Y461 WeakPolarHBondContact O-CD2 3.44Å
354	T	97	Very high	95.6	Very high	8 Å²	8	34.3 Å²	34.3	5%	0.049	18%	0.175	C	C	.	.			trans	-125	162.4	174.2	75	0	0	0	0	111.5	K348 Y351 S352 F393 Y408	K348-T354 PolarHBondContact N-OG1 2.72Å; Y351-T354 WeakPolarHBondContact O-CB 3.24Å; Y351-T354 PolarHBondContact O-N 2.67Å; Y351-T354 PolarHBondContact O-OG1 3.19Å; S352-T354 PolarHBondContact O-N 3.25Å; T354-F393 HydrophobicContact CG2-CE2 4.03Å; T354-F393 HydrophobicContact CG2-CZ 3.69Å; T354-Y408 HydrophobicContact CG2-CD2 4.21Å; T354-Y408 HydrophobicContact CG2-CE2 3.76Å
355	Y	96	Very high	95.6	Very high	36 Å²	36	34.1 Å²	34.1	14%	0.141	17%	0.174	C	C	.	.			trans	-131.1	153.7	155.2	76.3	-73.8	0	0	0	109.2	I346 S357 L365 P366 N395 D464 I465	I346-Y355 CarbonylContact O-C 3.32Å; I346-Y355 WeakPolarHBondContact O-CA 3.14Å; I346-Y355 WeakPolarHBondContact O-CB 3.49Å; Y355-S357 VanDerWaalsContact C-N 3.28Å; Y355-S357 PolarHBondContact O-N 3.3Å; Y355-L365 HydrophobicContact CD2-CB 4Å; Y355-L365 HydrophobicContact CD2-CD2 3.97Å; Y355-L365 HydrophobicContact CE2-CB 4.4Å; Y355-L365 HydrophobicContact CG-CD2 3.99Å; Y355-P366 HydrophobicContact CE1-CG 4.29Å; Y355-P366 HydrophobicContact CE2-CG 4.02Å; Y355-N395 PolarHBondContact O-ND2 3.25Å; Y355-N395 PolarHBondContact O-OD1 3.49Å; Y355-N395 VanDerWaalsContact O-OD1 3.1Å; Y355-D464 HydrophobicContact CD1-CB 4.3Å; Y355-D464 HydrophobicContact CE1-CB 3.92Å; Y355-I465 HydrophobicContact CD1-CD1 4.02Å; Y355-I465 HydrophobicContact CD1-CG1 4.25Å; Y355-I465 HydrophobicContact CG-CD1 4.02Å
356	D	95.1	Very high	95.7	Very high	26 Å²	26	34 Å²	34	14%	0.139	18%	0.175	C	C	.	.			trans	-76.7	77.2	-178.3	-164.5	-14.7	0	0	0	111.7	I346 K348 C358 S359 W362 N395	I346-D356 PolarHBondContact O-N 3.01Å; K348-D356 HydrophobicContact CB-CB 4.4Å; K348-D356 HydrophobicContact CD-CB 4.02Å; K348-D356 VanDerWaalsContact CD-OD1 3.3Å; K348-D356 WeakPolarHBondContact CD-OD1 3Å; K348-D356 WeakPolarHBondContact CD-OD2 3.19Å; K348-D356 IonicContact NZ-OD1 2.99Å; K348-D356 PolarHBondContact NZ-OD1 3.28Å; K348-D356 IonicContact NZ-OD2 3.39Å; K348-D356 PolarHBondContact NZ-OD2 2.8Å; D356-C358 PolarHBondContact O-N 2.97Å; D356-C358 WeakPolarHBondContact OD1-CB 3.42Å; D356-C358 PolarHBondContact OD1-N 3.29Å; D356-S359 PolarHBondContact O-N 3.4Å; D356-S359 PolarHBondContact OD1-N 2.9Å; D356-S359 WeakPolarHBondContact OD2-CB 3.27Å; D356-W362 HydrophobicContact CB-CB 4.32Å; D356-W362 WeakPolarHBondContact O-CB 3.22Å; D356-N395 WeakPolarHBondContact CA-OD1 3.38Å
357	S	93.3	Very high	95.7	Very high	8 Å²	8	38.4 Å²	38.4	6%	0.056	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-15.4	179.3	80.3	0	0	0	0	113.3	Y355 T363 N395 R397	Y355-S357 VanDerWaalsContact C-N 3.28Å; Y355-S357 PolarHBondContact O-N 3.3Å; S357-T363 PolarHBondContact O-OG1 2.99Å; S357-N395 PolarHBondContact N-OD1 3.03Å; S357-N395 VanDerWaalsContact N-OD1 3.15Å; S357-N395 VanDerWaalsContact OG-C 3.25Å; S357-N395 PolarHBondContact OG-O 3.49Å; S357-R397 WeakPolarHBondContact O-CD 3.5Å
358	C	92.5	Very high	95.7	Very high	27 Å²	27	38.1 Å²	38.1	18%	0.182	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91	-22.7	-178.1	-86.1	0	0	0	0	113.9	D356 C403	D356-C358 PolarHBondContact O-N 2.97Å; D356-C358 WeakPolarHBondContact OD1-CB 3.42Å; D356-C358 PolarHBondContact OD1-N 3.29Å; C358-C403 WeakPolarHBondContact CA-SG 3.36Å; C358-C403 HydrophobicContact CB-CB 4.09Å; C358-C403 WeakPolarHBondContact CB-SG 3.15Å; C358-C403 WeakPolarHBondContact SG-CB 3.07Å; C358-C403 CovalentContact SG-SG 2.02Å; C358-C403 PolarHBondContact SG-SG 3.03Å
359	S	92.2	Very high	95.9	Very high	24 Å²	24	37.1 Å²	37.1	17%	0.168	19%	0.193	C	C	.	.	S	Bend	trans	-78.5	133.4	175.8	176.2	0	0	0	0	110.5	D356 Y361 W362 T363	D356-S359 PolarHBondContact O-N 3.4Å; D356-S359 PolarHBondContact OD1-N 2.9Å; D356-S359 WeakPolarHBondContact OD2-CB 3.27Å; S359-Y361 PolarHBondContact O-N 3.19Å; S359-Y361 VanDerWaalsContact O-N 3.08Å; S359-Y361 WeakPolarHBondContact OG-CB 3.48Å; S359-Y361 VanDerWaalsContact OG-CD2 3.31Å; S359-Y361 WeakPolarHBondContact OG-CD2 3.43Å; S359-Y361 PolarHBondContact OG-N 3.04Å; S359-W362 PolarHBondContact O-N 3.32Å; S359-W362 VanDerWaalsContact O-N 3.15Å; S359-T363 VanDerWaalsContact O-CB 3.3Å; S359-T363 WeakPolarHBondContact O-CB 3.15Å; S359-T363 PolarHBondContact O-N 2.79Å
360	S	91.3	Very high	96	Very high	93 Å²	93	37.6 Å²	37.6	65%	0.65	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-17.1	171.5	53.1	0	0	0	0	113.2
361	Y	95.7	Very high	96.1	Very high	117 Å²	117	39 Å²	39	46%	0.459	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-24.7	179	-62.2	-93.7	0	0	0	113.1	D318 G319 T320 S359	D318-Y361 WeakPolarHBondContact OD1-CD1 3.37Å; D318-Y361 WeakPolarHBondContact OD1-CE1 3.2Å; G319-Y361 CarbonylContact C-O 3.39Å; G319-Y361 WeakPolarHBondContact CA-O 3.22Å; T320-Y361 PolarHBondContact N-O 3.34Å; T320-Y361 PolarHBondContact OG1-O 3.46Å; S359-Y361 PolarHBondContact O-N 3.19Å; S359-Y361 VanDerWaalsContact O-N 3.08Å; S359-Y361 WeakPolarHBondContact OG-CB 3.48Å; S359-Y361 VanDerWaalsContact OG-CD2 3.31Å; S359-Y361 WeakPolarHBondContact OG-CD2 3.43Å; S359-Y361 PolarHBondContact OG-N 3.04Å
362	W	96	Very high	96.1	Very high	18 Å²	18	38.2 Å²	38.2	7%	0.068	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-130.1	-4.8	-172	-54.8	114.9	0	0	0	114.1	Y317 T320 M323 D345 I346 D356 S359 D364 L365	Y317-W362 VanDerWaalsContact O-CZ2 3.26Å; Y317-W362 WeakPolarHBondContact O-CZ2 3.42Å; T320-W362 HydrophobicContact CG2-CE3 3.98Å; T320-W362 HydrophobicContact CG2-CZ3 4.47Å; M323-W362 HydrophobicContact CE-CH2 3.75Å; M323-W362 HydrophobicContact CE-CZ3 3.64Å; M323-W362 HydrophobicContact SD-CZ3 4.04Å; D345-W362 HydrophobicContact CB-CH2 4.38Å; D345-W362 HydrophobicContact CB-CZ2 3.74Å; D345-W362 PolarHBondContact O-NE1 2.81Å; I346-W362 HydrophobicContact CB-CE3 4.34Å; I346-W362 HydrophobicContact CB-CZ3 4.48Å; I346-W362 HydrophobicContact CG2-CE3 3.99Å; I346-W362 HydrophobicContact CG2-CH2 3.96Å; I346-W362 HydrophobicContact CG2-CZ3 3.67Å; D356-W362 HydrophobicContact CB-CB 4.32Å; D356-W362 WeakPolarHBondContact O-CB 3.22Å; S359-W362 PolarHBondContact O-N 3.32Å; S359-W362 VanDerWaalsContact O-N 3.15Å; W362-D364 PolarHBondContact O-N 2.88Å; W362-D364 VanDerWaalsContact O-N 3.13Å; W362-L365 WeakPolarHBondContact O-CB 3.29Å; W362-L365 PolarHBondContact O-N 2.79Å
363	T	93.5	Very high	96	Very high	42 Å²	42	41.8 Å²	41.8	26%	0.258	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-31.3	-178	-174.3	0	0	0	0	113.8	S357 S359 R397	S357-T363 PolarHBondContact O-OG1 2.99Å; S359-T363 VanDerWaalsContact O-CB 3.3Å; S359-T363 WeakPolarHBondContact O-CB 3.15Å; S359-T363 PolarHBondContact O-N 2.79Å; T363-R397 PolarHBondContact OG1-NH1 2.85Å
364	D	95.4	Very high	95.9	Very high	39 Å²	39	47.6 Å²	47.6	21%	0.209	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.3	12.3	-179.8	76.6	-46.8	0	0	0	112.8	T320 W362 P366 D367 M368 R371	T320-D364 WeakPolarHBondContact CB-OD1 3.33Å; T320-D364 WeakPolarHBondContact CG2-OD1 3.41Å; T320-D364 PolarHBondContact OG1-OD1 3.23Å; W362-D364 PolarHBondContact O-N 2.88Å; W362-D364 VanDerWaalsContact O-N 3.13Å; D364-P366 VanDerWaalsContact C-N 3.35Å; D364-D367 CarbonylContact O-C 3.49Å; D364-D367 WeakPolarHBondContact O-CA 3.14Å; D364-D367 WeakPolarHBondContact O-CB 3.47Å; D364-D367 PolarHBondContact O-N 3.43Å; D364-M368 PolarHBondContact O-N 3Å; D364-R371 IonicContact OD2-CZ 3.39Å; D364-R371 IonicContact OD2-NH2 3.84Å; D364-R371 PolarHBondContact OD2-NH2 3.01Å
365	L	97.8	Very high	95.7	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-52	-44.1	179.6	178	69.5	0	0	0	113.2	T320 I346 Y355 W362 D367 M368 V369 F379 I465	T320-L365 HydrophobicContact CG2-CB 3.92Å; T320-L365 HydrophobicContact CG2-CD1 4.02Å; I346-L365 HydrophobicContact CB-CD2 3.98Å; I346-L365 HydrophobicContact CD1-CD2 4.21Å; I346-L365 HydrophobicContact CG1-CD2 4.45Å; I346-L365 HydrophobicContact CG2-CD2 4.46Å; Y355-L365 HydrophobicContact CD2-CB 4Å; Y355-L365 HydrophobicContact CD2-CD2 3.97Å; Y355-L365 HydrophobicContact CE2-CB 4.4Å; Y355-L365 HydrophobicContact CG-CD2 3.99Å; W362-L365 WeakPolarHBondContact O-CB 3.29Å; W362-L365 PolarHBondContact O-N 2.79Å; L365-D367 VanDerWaalsContact C-N 3.29Å; L365-D367 PolarHBondContact O-N 3.5Å; L365-M368 HydrophobicContact CD1-CE 3.49Å; L365-M368 VanDerWaalsContact CD1-CE 3.49Å; L365-M368 HydrophobicContact CD1-SD 4.31Å; L365-M368 PolarHBondContact O-N 2.87Å; L365-V369 HydrophobicContact CD1-CG2 4.35Å; L365-V369 WeakPolarHBondContact O-CG2 3.5Å; L365-V369 PolarHBondContact O-N 2.83Å; L365-F379 HydrophobicContact CD1-CE2 4.46Å; L365-F379 HydrophobicContact CD1-CZ 4.05Å; L365-I465 HydrophobicContact CD2-CD1 3.55Å; L365-I465 HydrophobicContact CD2-CG1 4.43Å; L365-I465 HydrophobicContact CG-CD1 4.26Å
366	P	97.4	Very high	95.7	Very high	36 Å²	36	49.3 Å²	49.3	23%	0.234	25%	0.25	C	S	.	.	H	α-helix	trans	-58.9	-38.5	174	-26.4	36.7	0	0	0	113.6	Y355 D364 K370 D464	Y355-P366 HydrophobicContact CE1-CG 4.29Å; Y355-P366 HydrophobicContact CE2-CG 4.02Å; D364-P366 VanDerWaalsContact C-N 3.35Å; P366-K370 PolarHBondContact O-N 2.87Å; P366-K370 VanDerWaalsContact O-N 3.08Å; P366-D464 WeakPolarHBondContact CB-O 3.4Å; P366-D464 WeakPolarHBondContact CG-O 3.46Å
367	D	97.6	Very high	95.8	Very high	94 Å²	94	48.5 Å²	48.5	50%	0.503	25%	0.246	S	C	.	.	H	α-helix	trans	-73	-40.1	178.5	-67.8	-39	0	0	0	111.3	D364 L365 V369 K370 R371	D364-D367 CarbonylContact O-C 3.49Å; D364-D367 WeakPolarHBondContact O-CA 3.14Å; D364-D367 WeakPolarHBondContact O-CB 3.47Å; D364-D367 PolarHBondContact O-N 3.43Å; L365-D367 VanDerWaalsContact C-N 3.29Å; L365-D367 PolarHBondContact O-N 3.5Å; D367-V369 VanDerWaalsContact C-N 3.34Å; D367-V369 PolarHBondContact O-N 3.24Å; D367-K370 WeakPolarHBondContact O-CB 3.22Å; D367-K370 PolarHBondContact O-N 2.83Å; D367-R371 VanDerWaalsContact CB-NH1 3.28Å; D367-R371 WeakPolarHBondContact O-CG 3.4Å; D367-R371 PolarHBondContact O-N 2.88Å
368	M	98.2	Very high	96.1	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-56.7	-48.5	171.5	-176.8	-154.7	76.6	0	0	110.4	T320 M323 E324 D364 L365 K370 R371 L372 F379	T320-M368 HydrophobicContact CG2-CB 4.14Å; T320-M368 HydrophobicContact CG2-CG 4.46Å; T320-M368 HydrophobicContact CG2-SD 3.77Å; M323-M368 HydrophobicContact CB-SD 3.91Å; M323-M368 HydrophobicContact SD-CE 3.95Å; M323-M368 HydrophobicContact SD-SD 3.87Å; E324-M368 HydrophobicContact CG-CG 3.55Å; E324-M368 HydrophobicContact CG-SD 4.26Å; E324-M368 WeakPolarHBondContact OE1-CG 3.27Å; D364-M368 PolarHBondContact O-N 3Å; L365-M368 HydrophobicContact CD1-CE 3.49Å; L365-M368 VanDerWaalsContact CD1-CE 3.49Å; L365-M368 HydrophobicContact CD1-SD 4.31Å; L365-M368 PolarHBondContact O-N 2.87Å; M368-K370 VanDerWaalsContact C-N 3.28Å; M368-K370 PolarHBondContact O-N 2.83Å; M368-R371 WeakPolarHBondContact O-CB 3.49Å; M368-R371 PolarHBondContact O-N 2.91Å; M368-L372 HydrophobicContact CE-CD1 3.79Å; M368-L372 WeakPolarHBondContact O-CG 3.49Å; M368-L372 PolarHBondContact O-N 3.12Å; M368-F379 HydrophobicContact CE-CD2 4.26Å; M368-F379 HydrophobicContact CE-CE2 3.96Å
369	V	98.6	Very high	96.4	Very high	1 Å²	1	48.3 Å²	48.3	1%	0.006	24%	0.241	C	C	.	.	H	α-helix	trans	-59.2	-40.3	177.5	170.2	0	0	0	0	111.1	L365 D367 L372 K373 F379 I465	L365-V369 HydrophobicContact CD1-CG2 4.35Å; L365-V369 WeakPolarHBondContact O-CG2 3.5Å; L365-V369 PolarHBondContact O-N 2.83Å; D367-V369 VanDerWaalsContact C-N 3.34Å; D367-V369 PolarHBondContact O-N 3.24Å; V369-L372 PolarHBondContact O-N 2.84Å; V369-K373 HydrophobicContact CG1-CD 4.11Å; V369-K373 VanDerWaalsContact O-CG 3.24Å; V369-K373 WeakPolarHBondContact O-CG 3.24Å; V369-K373 PolarHBondContact O-N 3.49Å; V369-F379 HydrophobicContact CG1-CB 3.92Å; V369-F379 HydrophobicContact CG1-CD1 4.49Å; V369-F379 HydrophobicContact CG1-CG 4.36Å; V369-F379 HydrophobicContact CG2-CB 3.99Å; V369-F379 HydrophobicContact CG2-CD1 3.59Å; V369-F379 HydrophobicContact CG2-CD2 3.93Å; V369-F379 HydrophobicContact CG2-CE1 3.98Å; V369-F379 HydrophobicContact CG2-CE2 4.3Å; V369-F379 HydrophobicContact CG2-CG 3.56Å; V369-F379 HydrophobicContact CG2-CZ 4.31Å; V369-I465 HydrophobicContact CG1-CG2 4.46Å; V369-I465 HydrophobicContact CG2-CG2 4.11Å
370	K	98.3	Very high	96.7	Very high	126 Å²	126	47.1 Å²	47.1	55%	0.548	23%	0.233	S	C	.	.	H	α-helix	trans	-60.6	-46	173.1	-176.8	-174.3	170.8	-167.3	0	111.9	P366 D367 M368 K373 E374	P366-K370 PolarHBondContact O-N 2.87Å; P366-K370 VanDerWaalsContact O-N 3.08Å; D367-K370 WeakPolarHBondContact O-CB 3.22Å; D367-K370 PolarHBondContact O-N 2.83Å; M368-K370 VanDerWaalsContact C-N 3.28Å; M368-K370 PolarHBondContact O-N 2.83Å; K370-K373 PolarHBondContact O-N 2.69Å; K370-E374 VanDerWaalsContact CE-OE1 3.31Å; K370-E374 WeakPolarHBondContact CE-OE1 3.45Å; K370-E374 WeakPolarHBondContact O-CG 3.5Å; K370-E374 PolarHBondContact O-N 3.41Å
371	R	97.9	Very high	97	Very high	88 Å²	88	42.7 Å²	42.7	33%	0.332	20%	0.202	S	C	.	.	H	α-helix	trans	-63.1	-39.5	178.2	-67.9	-175.1	-59.7	-98.8	11.7	112.3	E324 D364 D367 M368 E374 K375	E324-R371 IonicContact OE1-CZ 3.95Å; E324-R371 IonicContact OE1-NE 2.91Å; E324-R371 PolarHBondContact OE1-NE 3.25Å; E324-R371 IonicContact OE1-NH2 2.84Å; E324-R371 PolarHBondContact OE1-NH2 3.14Å; E324-R371 IonicContact OE2-CZ 3.47Å; E324-R371 IonicContact OE2-NE 3.52Å; E324-R371 IonicContact OE2-NH2 2.71Å; E324-R371 PolarHBondContact OE2-NH2 3.1Å; D364-R371 IonicContact OD2-CZ 3.39Å; D364-R371 IonicContact OD2-NH2 3.84Å; D364-R371 PolarHBondContact OD2-NH2 3.01Å; D367-R371 VanDerWaalsContact CB-NH1 3.28Å; D367-R371 WeakPolarHBondContact O-CG 3.4Å; D367-R371 PolarHBondContact O-N 2.88Å; M368-R371 WeakPolarHBondContact O-CB 3.49Å; M368-R371 PolarHBondContact O-N 2.91Å; R371-E374 PolarHBondContact O-N 3.28Å; R371-K375 PolarHBondContact O-N 3.33Å
372	L	98	Very high	97.2	Very high	4 Å²	4	37.3 Å²	37.3	2%	0.021	18%	0.181	C	C	.	.	H	α-helix	trans	-59.5	-46.3	172.5	-69	-176.7	0	0	0	111.6	V327 Q340 M368 V369 E374 K375 G376 I377 F379	V327-L372 HydrophobicContact CB-CD2 4.37Å; V327-L372 HydrophobicContact CG1-CD2 4.07Å; V327-L372 HydrophobicContact CG2-CD2 3.8Å; Q340-L372 HydrophobicContact CB-CD1 3.81Å; Q340-L372 HydrophobicContact CG-CD1 4.08Å; M368-L372 HydrophobicContact CE-CD1 3.79Å; M368-L372 WeakPolarHBondContact O-CG 3.49Å; M368-L372 PolarHBondContact O-N 3.12Å; V369-L372 PolarHBondContact O-N 2.84Å; L372-E374 VanDerWaalsContact C-N 3.31Å; L372-E374 PolarHBondContact O-N 3.37Å; L372-K375 CarbonylContact O-C 3.52Å; L372-K375 WeakPolarHBondContact O-CA 3.23Å; L372-K375 WeakPolarHBondContact O-CB 3.39Å; L372-K375 PolarHBondContact O-N 2.83Å; L372-G376 PolarHBondContact O-N 3.35Å; L372-I377 CarbonylContact C-O 3.39Å; L372-I377 VanDerWaalsContact C-O 3.26Å; L372-I377 HydrophobicContact CB-CB 4.07Å; L372-I377 HydrophobicContact CB-CG2 4.26Å; L372-I377 HydrophobicContact CD1-CG2 4.47Å; L372-I377 HydrophobicContact CD2-CB 4.45Å; L372-I377 HydrophobicContact CD2-CD1 4.21Å; L372-I377 HydrophobicContact CD2-CG2 4.32Å; L372-I377 WeakPolarHBondContact O-CB 3.39Å; L372-I377 PolarHBondContact O-N 3.38Å; L372-F379 HydrophobicContact CD1-CD2 4.3Å
373	K	96.8	Very high	97.3	Very high	76 Å²	76	36.5 Å²	36.5	33%	0.33	18%	0.178	S	C	.	.	H	α-helix	trans	-65.1	-33.6	179.8	-67.1	176.1	84.9	128.8	0	112.6	V369 K370 K375 G376 I377 K466 D468	V369-K373 HydrophobicContact CG1-CD 4.11Å; V369-K373 VanDerWaalsContact O-CG 3.24Å; V369-K373 WeakPolarHBondContact O-CG 3.24Å; V369-K373 PolarHBondContact O-N 3.49Å; K370-K373 PolarHBondContact O-N 2.69Å; K373-K375 PolarHBondContact O-N 3.49Å; K373-G376 PolarHBondContact O-N 2.89Å; K373-I377 WeakPolarHBondContact CA-O 3.25Å; K373-I377 PolarHBondContact N-O 3.2Å; K373-K466 PolarHBondContact NZ-O 3.15Å; K373-D468 VanDerWaalsContact NZ-CG 3.28Å; K373-D468 IonicContact NZ-OD1 3.38Å; K373-D468 PolarHBondContact NZ-OD1 2.74Å; K373-D468 IonicContact NZ-OD2 3.71Å; K373-D468 PolarHBondContact NZ-OD2 3.33Å; K373-D468 VanDerWaalsContact NZ-OD2 3.14Å
374	E	95.4	Very high	97.5	Very high	136 Å²	136	34.6 Å²	34.6	64%	0.636	17%	0.167	S	C	*	.	H	α-helix	trans	-63	-29.3	171.5	-70.7	168.8	-176	0	0	112.2	K370 R371 L372 G376	K370-E374 VanDerWaalsContact CE-OE1 3.31Å; K370-E374 WeakPolarHBondContact CE-OE1 3.45Å; K370-E374 WeakPolarHBondContact O-CG 3.5Å; K370-E374 PolarHBondContact O-N 3.41Å; R371-E374 PolarHBondContact O-N 3.28Å; L372-E374 VanDerWaalsContact C-N 3.31Å; L372-E374 PolarHBondContact O-N 3.37Å; E374-G376 VanDerWaalsContact C-N 3.31Å
375	K	93.7	Very high	97.7	Very high	63 Å²	63	32.8 Å²	32.8	27%	0.274	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-5.7	170.8	-65.1	-171.4	172.6	-140.6	0	113.9	V327 D328 E331 R371 L372 K373 I377	V327-K375 HydrophobicContact CG1-CD 4.28Å; D328-K375 IonicContact OD1-NZ 3.54Å; D328-K375 PolarHBondContact OD1-NZ 3.24Å; E331-K375 IonicContact OE2-NZ 2.64Å; E331-K375 PolarHBondContact OE2-NZ 2.74Å; R371-K375 PolarHBondContact O-N 3.33Å; L372-K375 CarbonylContact O-C 3.52Å; L372-K375 WeakPolarHBondContact O-CA 3.23Å; L372-K375 WeakPolarHBondContact O-CB 3.39Å; L372-K375 PolarHBondContact O-N 2.83Å; K373-K375 PolarHBondContact O-N 3.49Å; K375-I377 HydrophobicContact CB-CD1 4.13Å; K375-I377 HydrophobicContact CB-CG1 4.33Å
376	G	94.5	Very high	97.6	Very high	18 Å²	18	32.9 Å²	32.9	19%	0.186	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	80.9	17.6	-173.9	0	0	0	0	0	114.1	L372 K373 E374	L372-G376 PolarHBondContact O-N 3.35Å; K373-G376 PolarHBondContact O-N 2.89Å; E374-G376 VanDerWaalsContact C-N 3.31Å
377	I	98.1	Very high	97.7	Very high	9 Å²	9	31.1 Å²	31.1	5%	0.046	15%	0.146	C	C	.	.			trans	-95.7	129.1	176.4	-60.2	166.3	0	0	0	108.6	V327 L337 D338 Q340 L372 K373 K375	V327-I377 HydrophobicContact CG1-CD1 3.43Å; V327-I377 VanDerWaalsContact CG1-CD1 3.43Å; V327-I377 HydrophobicContact CG2-CD1 4.48Å; L337-I377 HydrophobicContact CD2-CD1 4.08Å; L337-I377 HydrophobicContact CG-CD1 4.34Å; L337-I377 HydrophobicContact CG-CG2 4.47Å; D338-I377 WeakPolarHBondContact O-CA 3.35Å; Q340-I377 HydrophobicContact CB-CG2 4.1Å; L372-I377 CarbonylContact C-O 3.39Å; L372-I377 VanDerWaalsContact C-O 3.26Å; L372-I377 HydrophobicContact CB-CB 4.07Å; L372-I377 HydrophobicContact CB-CG2 4.26Å; L372-I377 HydrophobicContact CD1-CG2 4.47Å; L372-I377 HydrophobicContact CD2-CB 4.45Å; L372-I377 HydrophobicContact CD2-CD1 4.21Å; L372-I377 HydrophobicContact CD2-CG2 4.32Å; L372-I377 WeakPolarHBondContact O-CB 3.39Å; L372-I377 PolarHBondContact O-N 3.38Å; K373-I377 WeakPolarHBondContact CA-O 3.25Å; K373-I377 PolarHBondContact N-O 3.2Å; K375-I377 HydrophobicContact CB-CD1 4.13Å; K375-I377 HydrophobicContact CB-CG1 4.33Å
378	H	98.6	Very high	97.7	Very high	30 Å²	30	29.1 Å²	29.1	14%	0.139	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	153.1	179.5	-60.4	75.5	0	0	0	110	W306 D338 V339 Q340 D468	W306-H378 WeakPolarHBondContact CB-CE1 3.44Å; W306-H378 AromaticContact CD1-CD2 3.85Å; W306-H378 AromaticContact CD1-CE1 3.8Å; W306-H378 AromaticContact CD1-NE2 3.41Å; W306-H378 HydrophobicContact CD2-CB 4.32Å; W306-H378 AromaticContact CD2-CD2 3.76Å; W306-H378 AromaticContact CD2-CG 3.73Å; W306-H378 AromaticContact CD2-ND1 3.92Å; W306-H378 AromaticContact CD2-NE2 3.99Å; W306-H378 AromaticContact CE2-CD2 3.82Å; W306-H378 HydrophobicContact CE3-CB 4Å; W306-H378 AromaticContact CE3-CG 3.87Å; W306-H378 AromaticContact CG-CD2 3.83Å; W306-H378 AromaticContact CG-CE1 3.47Å; W306-H378 VanDerWaalsContact CG-CE1 3.47Å; W306-H378 AromaticContact CG-CG 3.97Å; W306-H378 AromaticContact CG-ND1 3.74Å; W306-H378 AromaticContact CG-NE2 3.52Å; W306-H378 HydrophobicContact CZ3-CB 4.16Å; W306-H378 AromaticContact NE1-CD2 3.82Å; W306-H378 AromaticContact NE1-NE2 3.82Å; D338-H378 PolarHBondContact O-N 3.2Å; D338-H378 PolarHBondContact O-ND1 2.85Å; V339-H378 WeakPolarHBondContact CA-O 3.4Å; V339-H378 HydrophobicContact CG2-CB 4.38Å; Q340-H378 PolarHBondContact N-O 3.29Å; H378-D468 WeakPolarHBondContact CA-OD2 3.27Å; H378-D468 HydrophobicContact CB-CB 3.9Å; H378-D468 IonicContact CD2-OD1 3.42Å; H378-D468 IonicContact CD2-OD2 3.69Å
379	F	98.7	Very high	97.6	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	130.5	179	-172.4	-104.7	0	0	0	111.7	Q340 I346 L365 M368 V369 L372 P381 I465 F467 D468	Q340-F379 HydrophobicContact CB-CD2 4.4Å; Q340-F379 HydrophobicContact CG-CD2 4.43Å; Q340-F379 WeakPolarHBondContact O-CA 3.4Å; Q340-F379 WeakPolarHBondContact O-CD2 3.4Å; I346-F379 HydrophobicContact CD1-CE1 4.39Å; I346-F379 HydrophobicContact CD1-CZ 4.15Å; L365-F379 HydrophobicContact CD1-CE2 4.46Å; L365-F379 HydrophobicContact CD1-CZ 4.05Å; M368-F379 HydrophobicContact CE-CD2 4.26Å; M368-F379 HydrophobicContact CE-CE2 3.96Å; V369-F379 HydrophobicContact CG1-CB 3.92Å; V369-F379 HydrophobicContact CG1-CD1 4.49Å; V369-F379 HydrophobicContact CG1-CG 4.36Å; V369-F379 HydrophobicContact CG2-CB 3.99Å; V369-F379 HydrophobicContact CG2-CD1 3.59Å; V369-F379 HydrophobicContact CG2-CD2 3.93Å; V369-F379 HydrophobicContact CG2-CE1 3.98Å; V369-F379 HydrophobicContact CG2-CE2 4.3Å; V369-F379 HydrophobicContact CG2-CG 3.56Å; V369-F379 HydrophobicContact CG2-CZ 4.31Å; L372-F379 HydrophobicContact CD1-CD2 4.3Å; F379-P381 HydrophobicContact CD1-CG 4.49Å; F379-P381 HydrophobicContact CE1-CB 3.92Å; F379-P381 HydrophobicContact CE1-CG 4.25Å; F379-I465 HydrophobicContact CD1-CG2 3.81Å; F379-I465 HydrophobicContact CE1-CG2 3.89Å; F379-F467 HydrophobicContact CD1-CB 4.43Å; F379-F467 WeakPolarHBondContact O-CA 3.45Å; F379-D468 PolarHBondContact N-OD2 2.77Å; F379-D468 PolarHBondContact O-N 3.11Å
380	V	98.8	Very high	97.5	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	101.8	-179.6	178.8	0	0	0	0	109.6	W306 V339 Q340 W341 G342 W471 F561	W306-V380 HydrophobicContact CH2-CG2 4.36Å; W306-V380 HydrophobicContact CZ3-CG2 4.47Å; V339-V380 HydrophobicContact CG1-CB 4.16Å; V339-V380 HydrophobicContact CG1-CG2 3.6Å; Q340-V380 PolarHBondContact O-N 2.86Å; Q340-V380 VanDerWaalsContact O-N 3.08Å; W341-V380 VanDerWaalsContact CA-O 3.28Å; W341-V380 WeakPolarHBondContact CA-O 3.49Å; W341-V380 HydrophobicContact CD2-CB 4.1Å; W341-V380 HydrophobicContact CD2-CG1 4.16Å; W341-V380 HydrophobicContact CE3-CB 4.17Å; W341-V380 HydrophobicContact CE3-CG1 3.74Å; W341-V380 HydrophobicContact CH2-CG1 4.03Å; W341-V380 HydrophobicContact CZ2-CG1 4.4Å; W341-V380 HydrophobicContact CZ3-CG1 3.72Å; G342-V380 PolarHBondContact N-O 3.46Å; V380-W471 HydrophobicContact CG1-CB 4.06Å; V380-F561 HydrophobicContact CG1-CE1 4.5Å; V380-F561 HydrophobicContact CG2-CD1 4.05Å; V380-F561 HydrophobicContact CG2-CE1 4.15Å
381	P	98.7	Very high	97.5	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	152.8	174.7	31.8	-33.5	0	0	0	112.4	G342 I346 F379 Y461 F467 G469 L470 W471	G342-P381 CarbonylContact O-C 3.26Å; G342-P381 WeakPolarHBondContact O-CA 3.33Å; I346-P381 HydrophobicContact CD1-CB 3.85Å; F379-P381 HydrophobicContact CD1-CG 4.49Å; F379-P381 HydrophobicContact CE1-CB 3.92Å; F379-P381 HydrophobicContact CE1-CG 4.25Å; P381-Y461 HydrophobicContact CB-CE1 4.07Å; P381-Y461 WeakPolarHBondContact CB-OH 3.21Å; P381-Y461 HydrophobicContact CG-CE1 3.67Å; P381-F467 HydrophobicContact CG-CB 3.76Å; P381-F467 HydrophobicContact CG-CD1 4.19Å; P381-F467 HydrophobicContact CG-CG 4.04Å; P381-G469 WeakPolarHBondContact CD-O 3.45Å; P381-L470 HydrophobicContact CG-CD2 4.2Å; P381-W471 PolarHBondContact O-N 3.19Å
382	I	98.6	Very high	97.4	Very high	4 Å²	4	26.5 Å²	26.5	2%	0.021	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	148.8	168.1	-171.7	158.9	0	0	0	112.5	G342 I344 M347 W471 A473	G342-I382 WeakPolarHBondContact O-CG2 3.19Å; G342-I382 PolarHBondContact O-N 3.1Å; I344-I382 HydrophobicContact CG2-CD1 3.93Å; I344-I382 HydrophobicContact CG2-CG1 4.46Å; I344-I382 HydrophobicContact CG2-CG2 3.97Å; I344-I382 VanDerWaalsContact N-CG2 3.33Å; M347-I382 HydrophobicContact CE-CB 4.26Å; M347-I382 HydrophobicContact CE-CG1 4.44Å; M347-I382 HydrophobicContact CE-CG2 3.4Å; M347-I382 WeakPolarHBondContact CE-O 3.22Å; I382-W471 CarbonylContact C-O 3.57Å; I382-W471 VanDerWaalsContact CA-O 3.24Å; I382-W471 WeakPolarHBondContact CA-O 3.37Å; I382-W471 HydrophobicContact CB-CB 4.4Å; I382-W471 HydrophobicContact CB-CD2 3.95Å; I382-W471 HydrophobicContact CB-CE3 3.56Å; I382-W471 HydrophobicContact CB-CG 4.35Å; I382-W471 HydrophobicContact CB-CZ3 4.09Å; I382-W471 HydrophobicContact CD1-CD2 3.91Å; I382-W471 HydrophobicContact CD1-CE3 3.88Å; I382-W471 HydrophobicContact CD1-CH2 3.83Å; I382-W471 HydrophobicContact CD1-CZ2 3.89Å; I382-W471 HydrophobicContact CD1-CZ3 3.84Å; I382-W471 HydrophobicContact CG1-CD2 4.04Å; I382-W471 HydrophobicContact CG1-CE3 4.06Å; I382-W471 HydrophobicContact CG1-CG 4.37Å; I382-W471 HydrophobicContact CG1-CZ3 4.47Å; I382-A473 HydrophobicContact CD1-CB 3.64Å; I382-A473 HydrophobicContact CG1-CB 4.15Å
383	V	98.5	Very high	97.3	Very high	1 Å²	1	26.8 Å²	26.8	1%	0.006	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	116.4	172.4	177.6	0	0	0	0	108.3	F353 W454 L470 W471 I472 A473 M543	F353-V383 HydrophobicContact CE1-CG1 3.88Å; F353-V383 HydrophobicContact CE1-CG2 4.26Å; F353-V383 HydrophobicContact CE2-CG1 4.12Å; F353-V383 HydrophobicContact CZ-CG1 3.67Å; V383-W454 HydrophobicContact CG1-CH2 4.09Å; V383-W454 HydrophobicContact CG1-CZ2 4.16Å; V383-L470 HydrophobicContact CG2-CD2 3.9Å; V383-W471 PolarHBondContact N-O 3.41Å; V383-I472 WeakPolarHBondContact O-CA 3.43Å; V383-A473 PolarHBondContact O-N 3.18Å; V383-M543 HydrophobicContact CG1-CE 4.42Å
384	D	98.4	Very high	97.1	Very high	2 Å²	2	28.7 Å²	28.7	1%	0.011	15%	0.148	C	C	.	.			trans	-95.1	149.1	174	-69.2	-7.2	0	0	0	110.5	S352 C386 A473 M474	S352-D384 WeakPolarHBondContact CB-O 3.39Å; S352-D384 PolarHBondContact OG-O 2.78Å; D384-C386 VanDerWaalsContact C-N 3.34Å; D384-C386 PolarHBondContact O-N 2.93Å; D384-A473 WeakPolarHBondContact OD1-CB 3.48Å; D384-M474 HydrophobicContact CB-CB 4.34Å; D384-M474 HydrophobicContact CB-CG 4.46Å; D384-M474 WeakPolarHBondContact OD2-CG 3.2Å
385	P	98.2	Very high	96.9	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	12%	0.121	C	C	.	.	S	Bend	trans	-74.6	-21.8	178.5	27.5	-34.2	0	0	0	113.8	I387 Y442 P443 F445 A473 M474 N475 Y539 M543	P385-I387 WeakPolarHBondContact O-CG1 3.49Å; P385-I387 PolarHBondContact O-N 3.39Å; P385-I387 VanDerWaalsContact O-N 3.11Å; P385-Y442 HydrophobicContact CB-CD1 4.44Å; P385-Y442 HydrophobicContact CG-CD1 4.46Å; P385-P443 WeakPolarHBondContact O-CD 3.46Å; P385-F445 HydrophobicContact CB-CE2 4.48Å; P385-A473 WeakPolarHBondContact CD-O 3.47Å; P385-M474 VanDerWaalsContact CG-O 3.25Å; P385-M474 WeakPolarHBondContact CG-O 3.33Å; P385-N475 HydrophobicContact CG-CB 4.1Å; P385-Y539 HydrophobicContact CB-CE1 3.93Å; P385-Y539 VanDerWaalsContact CB-OH 3.25Å; P385-Y539 WeakPolarHBondContact CB-OH 3.07Å; P385-Y539 HydrophobicContact CG-CE1 4.04Å; P385-M543 HydrophobicContact CB-CE 4.24Å; P385-M543 HydrophobicContact CB-SD 3.95Å; P385-M543 HydrophobicContact CG-SD 4.3Å
386	C	96.8	Very high	96.6	Very high	2 Å²	2	24 Å²	24	1%	0.014	13%	0.128	C	C	.	.			trans	-73.8	101.4	-175.9	163.8	0	0	0	0	110.4	D384 A435 P437 C440 Y442	D384-C386 VanDerWaalsContact C-N 3.34Å; D384-C386 PolarHBondContact O-N 2.93Å; C386-A435 HydrophobicContact CB-CB 4.1Å; C386-A435 WeakPolarHBondContact SG-CB 3.26Å; C386-P437 HydrophobicContact CB-CG 4.49Å; C386-P437 WeakPolarHBondContact SG-CG 3.33Å; C386-C440 HydrophobicContact CB-CB 4.02Å; C386-C440 WeakPolarHBondContact CB-SG 3.31Å; C386-C440 WeakPolarHBondContact SG-CB 3.45Å; C386-C440 CovalentContact SG-SG 2Å; C386-C440 PolarHBondContact SG-SG 3.1Å; C386-Y442 HydrophobicContact CB-CE1 3.97Å
387	I	98.6	Very high	96.1	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	113.9	-177.3	-55.9	-53.2	0	0	0	110.4	F353 P385 N389 Y408 P410 F420 C440 F441 P443	F353-I387 HydrophobicContact CE2-CD1 4.44Å; P385-I387 WeakPolarHBondContact O-CG1 3.49Å; P385-I387 PolarHBondContact O-N 3.39Å; P385-I387 VanDerWaalsContact O-N 3.11Å; I387-N389 PolarHBondContact O-N 2.88Å; I387-Y408 HydrophobicContact CG2-CE1 3.65Å; I387-P410 HydrophobicContact CD1-CB 4.17Å; I387-P410 HydrophobicContact CG2-CB 3.77Å; I387-F420 HydrophobicContact CB-CE1 3.95Å; I387-F420 HydrophobicContact CB-CZ 4.26Å; I387-F420 HydrophobicContact CG1-CE1 4.08Å; I387-F420 HydrophobicContact CG2-CE1 4.33Å; I387-F420 HydrophobicContact CG2-CZ 4.15Å; I387-C440 CarbonylContact O-C 3.01Å; I387-C440 WeakPolarHBondContact O-CA 3.49Å; I387-C440 WeakPolarHBondContact O-CB 3.23Å; I387-F441 PolarHBondContact N-O 3.29Å; I387-F441 PolarHBondContact O-N 2.97Å; I387-P443 HydrophobicContact CG1-CG 3.9Å
388	R	98.1	Very high	95.5	Very high	51 Å²	51	29.4 Å²	29.4	19%	0.192	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-45.9	131.4	179.3	-179.5	69	-177.7	68.1	-10.3	112.8	Y351 I390 Y408 Y411 P437 Q439	Y351-R388 HydrophobicContact CD1-CB 3.69Å; Y351-R388 HydrophobicContact CD1-CG 3.84Å; Y351-R388 HydrophobicContact CD2-CB 4.47Å; Y351-R388 HydrophobicContact CD2-CG 4.45Å; Y351-R388 HydrophobicContact CE1-CB 3.87Å; Y351-R388 HydrophobicContact CE1-CG 3.46Å; Y351-R388 VanDerWaalsContact CE1-CG 3.46Å; Y351-R388 HydrophobicContact CE2-CG 4.1Å; Y351-R388 HydrophobicContact CG-CB 4.04Å; Y351-R388 HydrophobicContact CG-CG 4.34Å; R388-I390 HydrophobicContact CB-CG2 4.31Å; R388-I390 HydrophobicContact CG-CB 4.02Å; R388-I390 HydrophobicContact CG-CG2 3.52Å; R388-I390 PolarHBondContact O-N 2.8Å; R388-Y408 HydrophobicContact CB-CD1 4.32Å; R388-Y408 HydrophobicContact CB-CE1 3.74Å; R388-Y408 WeakPolarHBondContact O-CE1 3.33Å; R388-Y411 WeakPolarHBondContact O-CD2 3.28Å; R388-P437 HydrophobicContact CB-CB 4.08Å; R388-P437 WeakPolarHBondContact CD-O 3.42Å; R388-P437 PolarHBondContact NE-O 3.16Å; R388-Q439 WeakPolarHBondContact CD-O 3.48Å
389	N	95.9	Very high	94.8	Very high	34 Å²	34	34.6 Å²	34.6	18%	0.182	18%	0.184	C	C	.	.	S	Bend	trans	-78.7	59.2	178.5	76.1	-13	0	0	0	114.1	I387 Y411 L432 Q439 F441	I387-N389 PolarHBondContact O-N 2.88Å; N389-Y411 VanDerWaalsContact CA-CE2 3.45Å; N389-Y411 HydrophobicContact CB-CD2 4.46Å; N389-Y411 HydrophobicContact CB-CE2 3.87Å; N389-L432 VanDerWaalsContact ND2-CD1 3.33Å; N389-L432 WeakPolarHBondContact ND2-CD1 3.42Å; N389-Q439 PolarHBondContact N-O 3.15Å; N389-Q439 PolarHBondContact ND2-OE1 2.95Å; N389-Q439 WeakPolarHBondContact OD1-CB 3.31Å; N389-Q439 PolarHBondContact OD1-O 2.87Å; N389-Q439 VanDerWaalsContact OD1-O 3.13Å; N389-F441 HydrophobicContact CB-CD2 4.49Å; N389-F441 HydrophobicContact CB-CE2 4.18Å; N389-F441 HydrophobicContact CB-CZ 4.18Å
390	I	97.8	Very high	94.1	Very high	40 Å²	40	39.8 Å²	39.8	21%	0.205	21%	0.213	C	C	.	.			trans	-134.5	136.4	-179.3	-161.7	173	0	0	0	111.2	Y351 R388 A392 Y408 Y411	Y351-I390 HydrophobicContact CE2-CG2 4.11Å; R388-I390 HydrophobicContact CB-CG2 4.31Å; R388-I390 HydrophobicContact CG-CB 4.02Å; R388-I390 HydrophobicContact CG-CG2 3.52Å; R388-I390 PolarHBondContact O-N 2.8Å; I390-A392 WeakPolarHBondContact CD1-O 3.4Å; I390-A392 WeakPolarHBondContact CG1-O 3.29Å; I390-Y408 HydrophobicContact CG2-CD1 4Å; I390-Y408 HydrophobicContact CG2-CG 4.39Å; I390-Y408 WeakPolarHBondContact O-CB 2.95Å; I390-Y411 WeakPolarHBondContact O-CB 3.49Å; I390-Y411 WeakPolarHBondContact O-CD1 3.2Å
391	S	96.6	Very high	93.3	Very high	71 Å²	71	41.7 Å²	41.7	50%	0.497	23%	0.232	S	C	.	.	S	Bend	trans	-77.2	-26.8	-178.9	56.5	0	0	0	0	114.2	P407 Y408	S391-P407 WeakPolarHBondContact O-CA 3.18Å; S391-Y408 PolarHBondContact O-N 3.23Å
392	A	96.5	Very high	92.7	Very high	15 Å²	15	47.1 Å²	47.1	12%	0.124	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.8	156.2	-176.7	0	0	0	0	0	112	I390 R405 I406	I390-A392 WeakPolarHBondContact CD1-O 3.4Å; I390-A392 WeakPolarHBondContact CG1-O 3.29Å; A392-R405 HydrophobicContact CB-CG 3.91Å; A392-R405 PolarHBondContact O-NH1 2.9Å; A392-R405 PolarHBondContact O-NH2 2.92Å; A392-I406 CarbonylContact C-O 3.51Å; A392-I406 WeakPolarHBondContact CA-O 3.38Å; A392-I406 WeakPolarHBondContact CB-O 3.11Å
393	F	96.2	Very high	92.3	Very high	10 Å²	10	49 Å²	49	4%	0.044	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.2	160.4	-173.9	70.2	-56.5	0	0	0	110.6	K348 Y351 T354 N395 R405 I406 Y408	K348-F393 HydrophobicContact CB-CD2 4.32Å; K348-F393 HydrophobicContact CB-CE2 3.79Å; K348-F393 HydrophobicContact CG-CD2 3.62Å; K348-F393 HydrophobicContact CG-CE2 3.58Å; Y351-F393 AromaticContact CD2-CD2 3.76Å; Y351-F393 HydrophobicContact CD2-CD2 3.76Å; Y351-F393 AromaticContact CD2-CE2 3.98Å; Y351-F393 HydrophobicContact CD2-CE2 3.98Å; Y351-F393 HydrophobicContact CD2-CG 4.23Å; Y351-F393 HydrophobicContact CE2-CB 4.16Å; Y351-F393 AromaticContact CE2-CD2 3.87Å; Y351-F393 HydrophobicContact CE2-CD2 3.87Å; Y351-F393 HydrophobicContact CE2-CG 4.13Å; T354-F393 HydrophobicContact CG2-CE2 4.03Å; T354-F393 HydrophobicContact CG2-CZ 3.69Å; F393-N395 HydrophobicContact CD2-CB 3.62Å; F393-N395 HydrophobicContact CE1-CB 4.4Å; F393-N395 HydrophobicContact CE2-CB 3.17Å; F393-N395 WeakPolarHBondContact CE2-ND2 3.36Å; F393-N395 HydrophobicContact CG-CB 4.41Å; F393-N395 HydrophobicContact CZ-CB 3.61Å; F393-N395 PolarHBondContact O-N 2.92Å; F393-R405 CarbonylContact O-C 3.49Å; F393-R405 WeakPolarHBondContact O-CA 3.24Å; F393-I406 HydrophobicContact CD1-CG1 4.37Å; F393-I406 HydrophobicContact CE1-CD1 4.17Å; F393-I406 HydrophobicContact CE1-CG1 4.04Å; F393-I406 HydrophobicContact CZ-CD1 4.39Å; F393-I406 PolarHBondContact N-O 3.34Å; F393-I406 PolarHBondContact O-N 3.16Å; F393-Y408 HydrophobicContact CD1-CD2 4.31Å; F393-Y408 HydrophobicContact CD1-CG 4.33Å; F393-Y408 AromaticContact CE1-CD2 3.71Å; F393-Y408 HydrophobicContact CE1-CD2 3.71Å; F393-Y408 HydrophobicContact CE1-CG 4.14Å; F393-Y408 HydrophobicContact CZ-CD2 4.02Å
394	E	93	Very high	92.1	Very high	116 Å²	116	53.5 Å²	53.5	54%	0.542	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	103.1	179.1	-69.4	176.2	-177.5	0	0	110.5	K348 E404 R405	K348-E394 WeakPolarHBondContact CE-O 3.2Å; K348-E394 PolarHBondContact NZ-O 2.88Å; E394-E404 WeakPolarHBondContact CA-O 3.48Å; E394-R405 HydrophobicContact CG-CB 4.34Å
395	N	91.3	Very high	91.9	Very high	13 Å²	13	60.3 Å²	60.3	7%	0.07	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.5	25.5	-178.8	-160	38.7	0	0	0	114.3	K348 Y355 D356 S357 F393 E404 I406	K348-N395 HydrophobicContact CB-CB 4.46Å; K348-N395 HydrophobicContact CD-CB 4.48Å; K348-N395 HydrophobicContact CG-CB 4.06Å; Y355-N395 PolarHBondContact O-ND2 3.25Å; Y355-N395 PolarHBondContact O-OD1 3.49Å; Y355-N395 VanDerWaalsContact O-OD1 3.1Å; D356-N395 WeakPolarHBondContact CA-OD1 3.38Å; S357-N395 PolarHBondContact N-OD1 3.03Å; S357-N395 VanDerWaalsContact N-OD1 3.15Å; S357-N395 VanDerWaalsContact OG-C 3.25Å; S357-N395 PolarHBondContact OG-O 3.49Å; F393-N395 HydrophobicContact CD2-CB 3.62Å; F393-N395 HydrophobicContact CE1-CB 4.4Å; F393-N395 HydrophobicContact CE2-CB 3.17Å; F393-N395 WeakPolarHBondContact CE2-ND2 3.36Å; F393-N395 HydrophobicContact CG-CB 4.41Å; F393-N395 HydrophobicContact CZ-CB 3.61Å; F393-N395 PolarHBondContact O-N 2.92Å; N395-E404 PolarHBondContact N-O 2.94Å; N395-I406 HydrophobicContact CB-CD1 4.38Å
396	H	87.1	Confident	91.7	Very high	87 Å²	87	62.5 Å²	62.5	40%	0.403	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	110.3	172.3	-170.8	73.3	0	0	0	109.8	T398 C403 E404 I406	H396-T398 PolarHBondContact O-N 2.8Å; H396-C403 WeakPolarHBondContact O-CA 3.4Å; H396-E404 HydrophobicContact CB-CG 3.94Å; H396-E404 IonicContact CD2-OE1 3.21Å; H396-E404 PolarHBondContact CD2-OE1 3.01Å; H396-E404 PolarHBondContact N-O 3.23Å; H396-E404 PolarHBondContact O-N 2.93Å; H396-I406 HydrophobicContact CB-CB 4.47Å; H396-I406 HydrophobicContact CB-CD1 4.22Å; H396-I406 HydrophobicContact CB-CG1 4.34Å; H396-I406 HydrophobicContact CB-CG2 3.38Å
397	R	84.1	Confident	91.7	Very high	115 Å²	115	66 Å²	66	43%	0.434	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	111.1	176.7	-165.2	171.7	-169.1	-164.6	1.2	109.9	S357 T363	S357-R397 WeakPolarHBondContact O-CD 3.5Å; T363-R397 PolarHBondContact OG1-NH1 2.85Å
398	T	85	Confident	91.7	Very high	26 Å²	26	66 Å²	66	16%	0.16	35%	0.354	C	S	.	.			trans	-76.5	167.2	178.8	63.7	0	0	0	0	111.5	H396 N400 G401 L402 E404	H396-T398 PolarHBondContact O-N 2.8Å; T398-N400 PolarHBondContact O-N 3.13Å; T398-N400 VanDerWaalsContact O-N 3.09Å; T398-N400 PolarHBondContact OG1-OD1 2.96Å; T398-G401 PolarHBondContact O-N 2.87Å; T398-L402 PolarHBondContact N-O 3.18Å; T398-L402 PolarHBondContact OG1-N 2.89Å; T398-L402 PolarHBondContact OG1-O 2.87Å; T398-E404 HydrophobicContact CG2-CB 4.27Å; T398-E404 VanDerWaalsContact CG2-CD 3.42Å; T398-E404 HydrophobicContact CG2-CG 3.75Å; T398-E404 WeakPolarHBondContact CG2-OE2 3.3Å
399	S	83.5	Confident	91.6	Very high	139 Å²	139	66.4 Å²	66.4	97%	0.972	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-18.5	-179.8	61.8	0	0	0	0	114.5	G401	S399-G401 VanDerWaalsContact C-N 3.32Å
400	N	85.4	Confident	91.7	Very high	110 Å²	110	65.1 Å²	65.1	59%	0.588	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.4	2.5	175.4	68.5	24.5	0	0	0	112.8	T398 L402	T398-N400 PolarHBondContact O-N 3.13Å; T398-N400 VanDerWaalsContact O-N 3.09Å; T398-N400 PolarHBondContact OG1-OD1 2.96Å; N400-L402 VanDerWaalsContact C-N 3.34Å; N400-L402 WeakPolarHBondContact OD1-CB 3.28Å; N400-L402 WeakPolarHBondContact OD1-CG 3.05Å; N400-L402 PolarHBondContact OD1-N 3.22Å
401	G	80.2	Confident	91.8	Very high	39 Å²	39	65.1 Å²	65.1	40%	0.402	35%	0.351	S	S	.	.	S	Bend	trans	84.8	-1.8	179.7	0	0	0	0	0	115	T398 S399	T398-G401 PolarHBondContact O-N 2.87Å; S399-G401 VanDerWaalsContact C-N 3.32Å
402	L	87	Confident	91.9	Very high	115 Å²	115	64.4 Å²	64.4	60%	0.602	34%	0.343	S	S	*	.			trans	-76.9	144.2	175.2	-63.3	173.4	0	0	0	111.2	T398 N400	T398-L402 PolarHBondContact N-O 3.18Å; T398-L402 PolarHBondContact OG1-N 2.89Å; T398-L402 PolarHBondContact OG1-O 2.87Å; N400-L402 VanDerWaalsContact C-N 3.34Å; N400-L402 WeakPolarHBondContact OD1-CB 3.28Å; N400-L402 WeakPolarHBondContact OD1-CG 3.05Å; N400-L402 PolarHBondContact OD1-N 3.22Å
403	C	91.2	Very high	92	Very high	44 Å²	44	64.9 Å²	64.9	30%	0.297	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	113.4	171.2	-81.1	0	0	0	0	110.1	C358 H396	C358-C403 WeakPolarHBondContact CA-SG 3.36Å; C358-C403 HydrophobicContact CB-CB 4.09Å; C358-C403 WeakPolarHBondContact CB-SG 3.15Å; C358-C403 WeakPolarHBondContact SG-CB 3.07Å; C358-C403 CovalentContact SG-SG 2.02Å; C358-C403 PolarHBondContact SG-SG 3.03Å; H396-C403 WeakPolarHBondContact O-CA 3.4Å
404	E	92.7	Very high	92	Very high	95 Å²	95	64.4 Å²	64.4	44%	0.444	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	158.8	177.2	71	-179.9	-169.5	0	0	112.2	E394 N395 H396 T398	E394-E404 WeakPolarHBondContact CA-O 3.48Å; N395-E404 PolarHBondContact N-O 2.94Å; H396-E404 HydrophobicContact CB-CG 3.94Å; H396-E404 IonicContact CD2-OE1 3.21Å; H396-E404 PolarHBondContact CD2-OE1 3.01Å; H396-E404 PolarHBondContact N-O 3.23Å; H396-E404 PolarHBondContact O-N 2.93Å; T398-E404 HydrophobicContact CG2-CB 4.27Å; T398-E404 VanDerWaalsContact CG2-CD 3.42Å; T398-E404 HydrophobicContact CG2-CG 3.75Å; T398-E404 WeakPolarHBondContact CG2-OE2 3.3Å
405	R	94.4	Very high	92.3	Very high	145 Å²	145	62.4 Å²	62.4	55%	0.547	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	121.1	-179.8	-174.2	177.3	-179.8	83.5	4	109.6	A392 F393 E394	A392-R405 HydrophobicContact CB-CG 3.91Å; A392-R405 PolarHBondContact O-NH1 2.9Å; A392-R405 PolarHBondContact O-NH2 2.92Å; F393-R405 CarbonylContact O-C 3.49Å; F393-R405 WeakPolarHBondContact O-CA 3.24Å; E394-R405 HydrophobicContact CG-CB 4.34Å
406	I	94.4	Very high	92.6	Very high	46 Å²	46	68.2 Å²	68.2	24%	0.236	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	156	176.8	55.7	163.3	0	0	0	111.3	A392 F393 N395 H396	A392-I406 CarbonylContact C-O 3.51Å; A392-I406 WeakPolarHBondContact CA-O 3.38Å; A392-I406 WeakPolarHBondContact CB-O 3.11Å; F393-I406 HydrophobicContact CD1-CG1 4.37Å; F393-I406 HydrophobicContact CE1-CD1 4.17Å; F393-I406 HydrophobicContact CE1-CG1 4.04Å; F393-I406 HydrophobicContact CZ-CD1 4.39Å; F393-I406 PolarHBondContact N-O 3.34Å; F393-I406 PolarHBondContact O-N 3.16Å; N395-I406 HydrophobicContact CB-CD1 4.38Å; H396-I406 HydrophobicContact CB-CB 4.47Å; H396-I406 HydrophobicContact CB-CD1 4.22Å; H396-I406 HydrophobicContact CB-CG1 4.34Å; H396-I406 HydrophobicContact CB-CG2 3.38Å
407	P	96.5	Very high	93	Very high	75 Å²	75	65.9 Å²	65.9	49%	0.487	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.4	144.6	168.3	-23.5	34.7	0	0	0	111.9	S391 D409	S391-P407 WeakPolarHBondContact O-CA 3.18Å; P407-D409 PolarHBondContact O-N 3.31Å
408	Y	97.9	Very high	93.6	Very high	1 Å²	1	64.2 Å²	64.2	0%	0.004	35%	0.354	C	S	.	.			trans	-93.1	88.3	169	-177.9	-131.8	0	0	0	109	S352 T354 I387 R388 I390 S391 F393 P410 Y411 V412	S352-Y408 PolarHBondContact N-OH 3.26Å; S352-Y408 PolarHBondContact O-OH 2.98Å; S352-Y408 VanDerWaalsContact O-OH 3.09Å; T354-Y408 HydrophobicContact CG2-CD2 4.21Å; T354-Y408 HydrophobicContact CG2-CE2 3.76Å; I387-Y408 HydrophobicContact CG2-CE1 3.65Å; R388-Y408 HydrophobicContact CB-CD1 4.32Å; R388-Y408 HydrophobicContact CB-CE1 3.74Å; R388-Y408 WeakPolarHBondContact O-CE1 3.33Å; I390-Y408 HydrophobicContact CG2-CD1 4Å; I390-Y408 HydrophobicContact CG2-CG 4.39Å; I390-Y408 WeakPolarHBondContact O-CB 2.95Å; S391-Y408 PolarHBondContact O-N 3.23Å; F393-Y408 HydrophobicContact CD1-CD2 4.31Å; F393-Y408 HydrophobicContact CD1-CG 4.33Å; F393-Y408 AromaticContact CE1-CD2 3.71Å; F393-Y408 HydrophobicContact CE1-CD2 3.71Å; F393-Y408 HydrophobicContact CE1-CG 4.14Å; F393-Y408 HydrophobicContact CZ-CD2 4.02Å; Y408-P410 HydrophobicContact CD2-CG 4.25Å; Y408-P410 HydrophobicContact CE1-CB 4.31Å; Y408-P410 HydrophobicContact CE2-CB 4.15Å; Y408-P410 HydrophobicContact CE2-CG 3.67Å; Y408-Y411 VanDerWaalsContact CD1-CB 3.44Å; Y408-Y411 WeakPolarHBondContact O-CB 3.48Å; Y408-Y411 PolarHBondContact O-N 2.83Å; Y408-V412 PolarHBondContact O-N 3.45Å
409	D	97.6	Very high	94.2	Very high	58 Å²	58	63 Å²	63	31%	0.31	35%	0.346	S	S	.	.	H	α-helix	trans	-50.9	-44.9	-172.1	-77.4	9.8	0	0	0	114.7	P407 Y411 V412 D413 K460	P407-D409 PolarHBondContact O-N 3.31Å; D409-Y411 PolarHBondContact O-N 2.74Å; D409-Y411 VanDerWaalsContact O-N 3.17Å; D409-V412 PolarHBondContact O-N 3.01Å; D409-D413 WeakPolarHBondContact O-CB 3.34Å; D409-D413 VanDerWaalsContact O-CG 3.26Å; D409-D413 PolarHBondContact O-N 3.47Å; D409-K460 HydrophobicContact CB-CD 4.3Å; D409-K460 WeakPolarHBondContact OD2-CD 3.4Å; D409-K460 WeakPolarHBondContact OD2-CE 3.47Å; D409-K460 IonicContact OD2-NZ 3.03Å; D409-K460 PolarHBondContact OD2-NZ 2.82Å
410	P	98.3	Very high	95	Very high	7 Å²	7	56.5 Å²	56.5	5%	0.045	30%	0.301	C	S	.	.	H	α-helix	trans	-55.1	-37.4	176.8	-28	35.1	0	0	0	113.4	F353 I387 Y408 G414 Y453 Q457	F353-P410 HydrophobicContact CB-CG 3.98Å; F353-P410 HydrophobicContact CD2-CB 4.25Å; F353-P410 HydrophobicContact CD2-CG 3.88Å; F353-P410 HydrophobicContact CG-CG 4.36Å; I387-P410 HydrophobicContact CD1-CB 4.17Å; I387-P410 HydrophobicContact CG2-CB 3.77Å; Y408-P410 HydrophobicContact CD2-CG 4.25Å; Y408-P410 HydrophobicContact CE1-CB 4.31Å; Y408-P410 HydrophobicContact CE2-CB 4.15Å; Y408-P410 HydrophobicContact CE2-CG 3.67Å; P410-G414 PolarHBondContact O-N 3.22Å; P410-Y453 WeakPolarHBondContact O-CE2 2.98Å; P410-Y453 PolarHBondContact O-OH 3.09Å; P410-Q457 HydrophobicContact CB-CG 4.48Å
411	Y	98.7	Very high	95.6	Very high	40 Å²	40	51.3 Å²	51.3	16%	0.157	27%	0.273	C	S	.	.	H	α-helix	trans	-77	-48.4	176.8	174.8	-102.4	0	0	0	112.4	R388 N389 I390 Y408 D409 G414 L415 F420 F441	R388-Y411 WeakPolarHBondContact O-CD2 3.28Å; N389-Y411 VanDerWaalsContact CA-CE2 3.45Å; N389-Y411 HydrophobicContact CB-CD2 4.46Å; N389-Y411 HydrophobicContact CB-CE2 3.87Å; I390-Y411 WeakPolarHBondContact O-CB 3.49Å; I390-Y411 WeakPolarHBondContact O-CD1 3.2Å; Y408-Y411 VanDerWaalsContact CD1-CB 3.44Å; Y408-Y411 WeakPolarHBondContact O-CB 3.48Å; Y408-Y411 PolarHBondContact O-N 2.83Å; D409-Y411 PolarHBondContact O-N 2.74Å; D409-Y411 VanDerWaalsContact O-N 3.17Å; Y411-G414 PolarHBondContact O-N 3Å; Y411-L415 HydrophobicContact CD1-CD1 4.2Å; Y411-L415 HydrophobicContact CE1-CD1 3.55Å; Y411-L415 HydrophobicContact CE1-CG 4.45Å; Y411-L415 HydrophobicContact CE2-CD1 3.96Å; Y411-L415 HydrophobicContact CE2-CG 4.22Å; Y411-L415 VanDerWaalsContact CZ-CD1 3.42Å; Y411-L415 WeakPolarHBondContact O-CG 3.25Å; Y411-L415 PolarHBondContact O-N 3.26Å; Y411-F420 HydrophobicContact CD2-CE2 4.48Å; Y411-F441 HydrophobicContact CD2-CD2 4.2Å; Y411-F441 HydrophobicContact CD2-CE2 4.47Å; Y411-F441 AromaticContact CE2-CD2 3.76Å; Y411-F441 HydrophobicContact CE2-CD2 3.76Å; Y411-F441 AromaticContact CE2-CE2 3.59Å; Y411-F441 HydrophobicContact CE2-CE2 3.59Å
412	V	98.3	Very high	96.4	Very high	56 Å²	56	51 Å²	51	34%	0.339	26%	0.26	S	S	.	.	H	α-helix	trans	-66	-48	-175.6	175.4	0	0	0	0	111.1	Y408 D409 G414 L415 D416	Y408-V412 PolarHBondContact O-N 3.45Å; D409-V412 PolarHBondContact O-N 3.01Å; V412-G414 VanDerWaalsContact C-N 3.26Å; V412-G414 PolarHBondContact O-N 3.48Å; V412-L415 PolarHBondContact O-N 3.14Å; V412-D416 PolarHBondContact O-N 3.23Å
413	D	98.3	Very high	96.7	Very high	25 Å²	25	48.9 Å²	48.9	13%	0.134	25%	0.247	C	C	.	.	H	α-helix	trans	-64.4	-35	175.5	-64.8	-17.8	0	0	0	111.1	D409 D416 K417 Y453 Q457 K460	D409-D413 WeakPolarHBondContact O-CB 3.34Å; D409-D413 VanDerWaalsContact O-CG 3.26Å; D409-D413 PolarHBondContact O-N 3.47Å; D413-D416 PolarHBondContact O-N 2.84Å; D413-K417 WeakPolarHBondContact O-CB 3.3Å; D413-K417 WeakPolarHBondContact O-CG 3.4Å; D413-K417 PolarHBondContact O-N 2.82Å; D413-Y453 HydrophobicContact CB-CD2 4.15Å; D413-Y453 HydrophobicContact CB-CE2 4.16Å; D413-Q457 PolarHBondContact OD2-NE2 3.19Å; D413-K460 IonicContact OD1-NZ 3.94Å; D413-K460 IonicContact OD2-NZ 2.67Å; D413-K460 PolarHBondContact OD2-NZ 3.46Å
414	G	98.2	Very high	96.8	Very high	0 Å²	0	52 Å²	52	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-65.8	-39.5	179.7	0	0	0	0	0	112.7	P410 Y411 V412 D418 I419 F420	P410-G414 PolarHBondContact O-N 3.22Å; Y411-G414 PolarHBondContact O-N 3Å; V412-G414 VanDerWaalsContact C-N 3.26Å; V412-G414 PolarHBondContact O-N 3.48Å; G414-D418 PolarHBondContact O-N 3.37Å; G414-I419 PolarHBondContact O-N 3.29Å; G414-I419 VanDerWaalsContact O-N 3.08Å; G414-F420 VanDerWaalsContact C-CE2 3.43Å
415	L	97.8	Very high	96.8	Very high	74 Å²	74	50.6 Å²	50.6	39%	0.387	26%	0.255	S	S	.	.	H	α-helix	trans	-69.5	-44.1	172.4	-72.6	-179.1	0	0	0	112.2	Y411 V412 K417 D418 F420 P430 F441	Y411-L415 HydrophobicContact CD1-CD1 4.2Å; Y411-L415 HydrophobicContact CE1-CD1 3.55Å; Y411-L415 HydrophobicContact CE1-CG 4.45Å; Y411-L415 HydrophobicContact CE2-CD1 3.96Å; Y411-L415 HydrophobicContact CE2-CG 4.22Å; Y411-L415 VanDerWaalsContact CZ-CD1 3.42Å; Y411-L415 WeakPolarHBondContact O-CG 3.25Å; Y411-L415 PolarHBondContact O-N 3.26Å; V412-L415 PolarHBondContact O-N 3.14Å; L415-K417 VanDerWaalsContact C-N 3.33Å; L415-K417 PolarHBondContact O-N 2.98Å; L415-D418 PolarHBondContact O-N 3.5Å; L415-F420 HydrophobicContact CD2-CD2 4.12Å; L415-F420 HydrophobicContact CD2-CE2 4.17Å; L415-F420 HydrophobicContact CG-CE2 4.19Å; L415-P430 HydrophobicContact CD2-CG 4.47Å; L415-F441 HydrophobicContact CD2-CE2 4.36Å
416	D	97.3	Very high	96.6	Very high	135 Å²	135	52.2 Å²	52.2	72%	0.722	27%	0.274	S	S	*	.	H	α-helix	trans	-61.1	-41.4	179.7	-179.9	68.3	0	0	0	112.1	V412 D413 D418	V412-D416 PolarHBondContact O-N 3.23Å; D413-D416 PolarHBondContact O-N 2.84Å; D416-D418 VanDerWaalsContact C-N 3.31Å
417	K	97	Very high	96.4	Very high	39 Å²	39	51.1 Å²	51.1	17%	0.17	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.6	-2.9	178.9	-66.2	-179	170.9	80.2	0	114.1	D413 L415 I419 N449 Y453 D456	D413-K417 WeakPolarHBondContact O-CB 3.3Å; D413-K417 WeakPolarHBondContact O-CG 3.4Å; D413-K417 PolarHBondContact O-N 2.82Å; L415-K417 VanDerWaalsContact C-N 3.33Å; L415-K417 PolarHBondContact O-N 2.98Å; K417-I419 VanDerWaalsContact C-N 3.34Å; K417-I419 HydrophobicContact CB-CG2 3.72Å; K417-I419 WeakPolarHBondContact O-CG2 3.46Å; K417-I419 PolarHBondContact O-N 2.86Å; K417-N449 HydrophobicContact CB-CB 4.38Å; K417-N449 PolarHBondContact O-ND2 2.94Å; K417-Y453 HydrophobicContact CD-CD2 4.33Å; K417-D456 WeakPolarHBondContact CE-OD2 3.46Å; K417-D456 IonicContact NZ-OD2 3.03Å; K417-D456 PolarHBondContact NZ-OD2 3.05Å
418	D	96.8	Very high	96.2	Very high	79 Å²	79	51.8 Å²	51.8	42%	0.422	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.1	42.7	-176	-160.5	34	0	0	0	114.8	G414 L415 D416 K422	G414-D418 PolarHBondContact O-N 3.37Å; L415-D418 PolarHBondContact O-N 3.5Å; D416-D418 VanDerWaalsContact C-N 3.31Å; D418-K422 IonicContact OD1-NZ 3.87Å; D418-K422 PolarHBondContact OD1-NZ 2.79Å; D418-K422 IonicContact OD2-NZ 2.87Å; D418-K422 PolarHBondContact OD2-NZ 3.47Å
419	I	97.8	Very high	96	Very high	1 Å²	1	57.2 Å²	57.2	1%	0.005	30%	0.303	C	S	.	.			trans	-94	-0.3	-169.6	57.7	65.6	0	0	0	114.9	G414 K417 P443 D444 N449 Y453	G414-I419 PolarHBondContact O-N 3.29Å; G414-I419 VanDerWaalsContact O-N 3.08Å; K417-I419 VanDerWaalsContact C-N 3.34Å; K417-I419 HydrophobicContact CB-CG2 3.72Å; K417-I419 WeakPolarHBondContact O-CG2 3.46Å; K417-I419 PolarHBondContact O-N 2.86Å; I419-P443 HydrophobicContact CD1-CB 4.11Å; I419-P443 HydrophobicContact CD1-CG 4.46Å; I419-D444 VanDerWaalsContact O-CB 3.31Å; I419-D444 WeakPolarHBondContact O-CB 3.49Å; I419-D444 PolarHBondContact O-N 3.02Å; I419-N449 HydrophobicContact CG2-CB 3.77Å; I419-Y453 HydrophobicContact CD1-CD1 3.99Å; I419-Y453 HydrophobicContact CD1-CD2 4.38Å; I419-Y453 HydrophobicContact CD1-CE1 3.83Å; I419-Y453 HydrophobicContact CD1-CE2 4.25Å; I419-Y453 HydrophobicContact CD1-CG 4.27Å; I419-Y453 HydrophobicContact CG1-CD1 3.87Å; I419-Y453 HydrophobicContact CG1-CD2 3.95Å; I419-Y453 HydrophobicContact CG1-CE1 4.21Å; I419-Y453 HydrophobicContact CG1-CE2 4.3Å; I419-Y453 HydrophobicContact CG1-CG 3.73Å
420	F	98.5	Very high	95.9	Very high	3 Å²	3	55.2 Å²	55.2	1%	0.013	29%	0.293	C	S	.	.	B	Isolated β-bridge	trans	-83.1	143	-176.9	-64.8	-59.8	0	0	0	111	I387 Y411 G414 L415 K422 P430 F441 Y442 P443	I387-F420 HydrophobicContact CB-CE1 3.95Å; I387-F420 HydrophobicContact CB-CZ 4.26Å; I387-F420 HydrophobicContact CG1-CE1 4.08Å; I387-F420 HydrophobicContact CG2-CE1 4.33Å; I387-F420 HydrophobicContact CG2-CZ 4.15Å; Y411-F420 HydrophobicContact CD2-CE2 4.48Å; G414-F420 VanDerWaalsContact C-CE2 3.43Å; L415-F420 HydrophobicContact CD2-CD2 4.12Å; L415-F420 HydrophobicContact CD2-CE2 4.17Å; L415-F420 HydrophobicContact CG-CE2 4.19Å; F420-K422 PolarHBondContact O-N 2.98Å; F420-P430 HydrophobicContact CB-CB 3.78Å; F420-P430 HydrophobicContact CB-CG 4.08Å; F420-P430 HydrophobicContact CD2-CG 4.41Å; F420-F441 HydrophobicContact CB-CB 4.04Å; F420-F441 HydrophobicContact CD1-CB 3.43Å; F420-F441 VanDerWaalsContact CD1-CB 3.43Å; F420-F441 HydrophobicContact CD2-CB 4Å; F420-F441 AromaticContact CD2-CD2 3.8Å; F420-F441 HydrophobicContact CD2-CD2 3.8Å; F420-F441 HydrophobicContact CD2-CG 4.31Å; F420-F441 HydrophobicContact CE1-CB 3.81Å; F420-F441 HydrophobicContact CE2-CB 4.31Å; F420-F441 AromaticContact CE2-CD2 3.96Å; F420-F441 HydrophobicContact CE2-CD2 3.96Å; F420-F441 HydrophobicContact CG-CB 3.55Å; F420-F441 HydrophobicContact CG-CD2 4.22Å; F420-F441 HydrophobicContact CG-CG 4.26Å; F420-F441 HydrophobicContact CZ-CB 4.23Å; F420-Y442 WeakPolarHBondContact CA-O 3.25Å; F420-P443 HydrophobicContact CE1-CG 4.34Å
421	V	98.1	Very high	95.7	Very high	1 Å²	1	55.4 Å²	55.4	1%	0.006	29%	0.293	C	S	.	.	P	Polyproline II helix	trans	-52.6	133.3	173.2	-178.7	0	0	0	0	109.2	P430 F431 Y442 D444 M521 A525 F527	V421-P430 CarbonylContact O-C 3.55Å; V421-P430 VanDerWaalsContact O-CA 3.27Å; V421-P430 WeakPolarHBondContact O-CA 3.27Å; V421-F431 PolarHBondContact O-N 2.78Å; V421-Y442 WeakPolarHBondContact CG2-O 3.31Å; V421-Y442 PolarHBondContact N-O 3.35Å; V421-D444 HydrophobicContact CG2-CB 3.93Å; V421-M521 HydrophobicContact CG1-SD 3.95Å; V421-M521 HydrophobicContact CG2-CE 4.44Å; V421-A525 HydrophobicContact CG1-CB 4.08Å; V421-F527 HydrophobicContact CB-CE1 4.35Å; V421-F527 HydrophobicContact CG1-CD1 4.31Å; V421-F527 HydrophobicContact CG1-CD2 4.35Å; V421-F527 HydrophobicContact CG1-CE1 4.16Å; V421-F527 HydrophobicContact CG1-CE2 4.21Å; V421-F527 HydrophobicContact CG1-CG 4.39Å; V421-F527 HydrophobicContact CG1-CZ 4.12Å; V421-F527 HydrophobicContact CG2-CD1 3.54Å; V421-F527 HydrophobicContact CG2-CE1 3.21Å; V421-F527 HydrophobicContact CG2-CG 4.38Å; V421-F527 HydrophobicContact CG2-CZ 3.86Å
422	K	97.4	Very high	95.5	Very high	32 Å²	32	55.6 Å²	55.6	14%	0.139	30%	0.296	C	S	.	.	B	Isolated β-bridge	trans	-81	148.8	-179.4	-52.9	-57.4	-174.6	171.8	0	110.6	D418 F420 K424 Q429 A525 Q526	D418-K422 IonicContact OD1-NZ 3.87Å; D418-K422 PolarHBondContact OD1-NZ 2.79Å; D418-K422 IonicContact OD2-NZ 2.87Å; D418-K422 PolarHBondContact OD2-NZ 3.47Å; F420-K422 PolarHBondContact O-N 2.98Å; K422-K424 PolarHBondContact O-N 3Å; K422-Q429 WeakPolarHBondContact CA-O 3.23Å; K422-A525 CarbonylContact O-C 3.58Å; K422-A525 WeakPolarHBondContact O-CA 3.4Å; K422-Q526 HydrophobicContact CB-CB 4.27Å; K422-Q526 PolarHBondContact N-O 3.22Å; K422-Q526 PolarHBondContact O-N 3.42Å
423	E	93.4	Very high	95.2	Very high	71 Å²	71	52.9 Å²	52.9	33%	0.332	28%	0.28	S	S	.	.	S	Bend	trans	-58.2	-37.1	179.2	-176.9	-176.9	-151.4	0	0	112.5	Q429 A525	E423-Q429 PolarHBondContact N-O 3.13Å; E423-A525 WeakPolarHBondContact O-CA 3.37Å
424	K	93.2	Very high	94.9	Very high	110 Å²	110	53.7 Å²	53.7	48%	0.478	28%	0.284	S	S	.	.	S	Bend	trans	-161.3	170	-179.1	63.5	-178.4	176.9	-171.5	0	111.3	K422 S427 E524	K422-K424 PolarHBondContact O-N 3Å; K424-S427 VanDerWaalsContact O-CB 3.28Å; K424-S427 WeakPolarHBondContact O-CB 3.28Å; K424-S427 PolarHBondContact O-N 3.46Å; K424-E524 WeakPolarHBondContact CA-O 3.34Å; K424-E524 HydrophobicContact CB-CB 4.38Å; K424-E524 HydrophobicContact CB-CG 4Å
425	P	92.2	Very high	94.6	Very high	65 Å²	65	54 Å²	54	42%	0.422	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.5	143.2	172.9	-24	35.4	0	0	0	111.4	S427 E524	P425-S427 PolarHBondContact O-N 2.93Å; P425-E524 WeakPolarHBondContact CD-O 3.34Å
426	D	90.2	Very high	94.5	Very high	178 Å²	178	54.5 Å²	54.5	95%	0.952	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.1	5.6	-178.8	-49.3	-43.6	0	0	0	115.9
427	S	90.8	Very high	94.4	Very high	24 Å²	24	48.6 Å²	48.6	17%	0.168	25%	0.252	C	S	.	.			trans	-80.3	137.4	173.5	-170.6	0	0	0	0	111.4	K424 P425 Q429	K424-S427 VanDerWaalsContact O-CB 3.28Å; K424-S427 WeakPolarHBondContact O-CB 3.28Å; K424-S427 PolarHBondContact O-N 3.46Å; P425-S427 PolarHBondContact O-N 2.93Å; S427-Q429 VanDerWaalsContact C-N 3.33Å; S427-Q429 PolarHBondContact OG-N 3.33Å
428	S	91.6	Very high	94.2	Very high	88 Å²	88	48 Å²	48	62%	0.615	26%	0.257	S	S	*	.			trans	-82	-15.2	165.7	57.3	0	0	0	0	112.6
429	Q	94	Very high	94.1	Very high	115 Å²	115	47.2 Å²	47.2	54%	0.537	25%	0.251	S	S	.	.	S	Bend	trans	-84.6	133.8	-174.1	-61.2	-56.4	-61.2	0	0	111.5	K422 E423 S427	K422-Q429 WeakPolarHBondContact CA-O 3.23Å; E423-Q429 PolarHBondContact N-O 3.13Å; S427-Q429 VanDerWaalsContact C-N 3.33Å; S427-Q429 PolarHBondContact OG-N 3.33Å
430	P	96.1	Very high	94	Very high	17 Å²	17	47.2 Å²	47.2	11%	0.11	25%	0.251	C	S	.	.	B	Isolated β-bridge	trans	-61.1	147.6	168.4	-24	35.3	0	0	0	112.5	L415 F420 V421 L432 F441	L415-P430 HydrophobicContact CD2-CG 4.47Å; F420-P430 HydrophobicContact CB-CB 3.78Å; F420-P430 HydrophobicContact CB-CG 4.08Å; F420-P430 HydrophobicContact CD2-CG 4.41Å; V421-P430 CarbonylContact O-C 3.55Å; V421-P430 VanDerWaalsContact O-CA 3.27Å; V421-P430 WeakPolarHBondContact O-CA 3.27Å; P430-L432 PolarHBondContact O-N 2.63Å; P430-F441 HydrophobicContact CB-CB 4.35Å; P430-F441 HydrophobicContact CB-CD1 3.68Å; P430-F441 HydrophobicContact CB-CD2 3.91Å; P430-F441 HydrophobicContact CB-CE1 3.81Å; P430-F441 HydrophobicContact CB-CE2 4.01Å; P430-F441 HydrophobicContact CB-CG 3.74Å; P430-F441 HydrophobicContact CB-CZ 3.98Å; P430-F441 HydrophobicContact CG-CD2 4.12Å; P430-F441 HydrophobicContact CG-CE2 3.96Å; P430-F441 HydrophobicContact CG-CG 4.45Å; P430-F441 HydrophobicContact CG-CZ 4.18Å
431	F	94.6	Very high	93.9	Very high	11 Å²	11	48 Å²	48	5%	0.048	26%	0.255	C	S	.	.	P	Polyproline II helix	trans	-63.9	120.3	168.7	176.3	-98.5	0	0	0	109.9	V421 G433 F441 Y442 M521 C522 A525	V421-F431 PolarHBondContact O-N 2.78Å; F431-G433 PolarHBondContact O-N 3.07Å; F431-F441 VanDerWaalsContact O-CD1 3.29Å; F431-F441 WeakPolarHBondContact O-CD1 3.24Å; F431-Y442 AromaticContact CD1-CD2 3.92Å; F431-Y442 HydrophobicContact CD1-CD2 3.92Å; F431-Y442 AromaticContact CD1-CE2 3.94Å; F431-Y442 HydrophobicContact CD1-CE2 3.94Å; F431-Y442 HydrophobicContact CE1-CD2 4.37Å; F431-Y442 AromaticContact CE1-CE2 3.94Å; F431-Y442 HydrophobicContact CE1-CE2 3.94Å; F431-M521 HydrophobicContact CD1-CB 3.73Å; F431-M521 HydrophobicContact CD2-CB 4.49Å; F431-M521 HydrophobicContact CE1-CB 3.32Å; F431-M521 HydrophobicContact CE2-CB 4.17Å; F431-M521 HydrophobicContact CG-CB 4.3Å; F431-M521 HydrophobicContact CZ-CB 3.59Å; F431-C522 HydrophobicContact CE2-CB 4.19Å; F431-C522 VanDerWaalsContact CE2-SG 3.56Å; F431-A525 HydrophobicContact CD2-CB 4.31Å; F431-A525 HydrophobicContact CG-CB 4.45Å
432	L	93.2	Very high	93.9	Very high	43 Å²	43	48 Å²	48	23%	0.225	26%	0.255	C	S	.	.			trans	-88.4	103.1	179.7	-178.5	66.4	0	0	0	110.9	N389 P430 Q439 F441	N389-L432 VanDerWaalsContact ND2-CD1 3.33Å; N389-L432 WeakPolarHBondContact ND2-CD1 3.42Å; P430-L432 PolarHBondContact O-N 2.63Å; L432-Q439 HydrophobicContact CD1-CB 4.02Å; L432-Q439 HydrophobicContact CD1-CG 4.31Å; L432-F441 HydrophobicContact CB-CE1 4.16Å; L432-F441 HydrophobicContact CD1-CD1 4.23Å; L432-F441 HydrophobicContact CD1-CE1 3.66Å
433	G	92.5	Very high	94	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	174.6	171.7	0	0	0	0	0	113.9	F431 Q439 C440	F431-G433 PolarHBondContact O-N 3.07Å; G433-Q439 CarbonylContact O-C 3.57Å; G433-Q439 VanDerWaalsContact O-CA 3.28Å; G433-Q439 WeakPolarHBondContact O-CA 3.41Å; G433-C440 PolarHBondContact N-O 3.01Å; G433-C440 PolarHBondContact O-N 3.29Å
434	I	92	Very high	94.2	Very high	42 Å²	42	43.4 Å²	43.4	22%	0.215	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	125.4	167.5	-63.6	-178.4	0	0	0	107.2	G438 Q439 H479 F480 E490	I434-G438 WeakPolarHBondContact CA-O 3.35Å; I434-Q439 HydrophobicContact CD1-CG 4.44Å; I434-Q439 HydrophobicContact CG1-CG 4.1Å; I434-H479 PolarHBondContact N-CE1 2.99Å; I434-H479 PolarHBondContact N-ND1 2.9Å; I434-H479 PolarHBondContact O-ND1 3.5Å; I434-F480 HydrophobicContact CG2-CB 4.41Å; I434-F480 HydrophobicContact CG2-CD2 4.46Å; I434-F480 PolarHBondContact O-N 3.05Å; I434-E490 HydrophobicContact CD1-CB 3.36Å; I434-E490 HydrophobicContact CD1-CG 3.93Å; I434-E490 HydrophobicContact CG1-CB 4.26Å
435	A	93	Very high	94.4	Very high	5 Å²	5	38.7 Å²	38.7	4%	0.041	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	-149.1	166.3	0	0	0	0	0	109.7	C386 G438 F480	C386-A435 HydrophobicContact CB-CB 4.1Å; C386-A435 WeakPolarHBondContact SG-CB 3.26Å; A435-G438 PolarHBondContact N-O 2.88Å; A435-G438 VanDerWaalsContact N-O 3.15Å; A435-G438 WeakPolarHBondContact O-CA 3.34Å; A435-G438 PolarHBondContact O-N 3.02Å; A435-F480 HydrophobicContact CB-CE1 4.37Å; A435-F480 HydrophobicContact CB-CE2 4.37Å; A435-F480 HydrophobicContact CB-CZ 4.23Å
436	W	94.9	Very high	94.6	Very high	86 Å²	86	36.5 Å²	36.5	33%	0.326	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-46.8	-46.7	179.2	-74.6	127.4	0	0	0	116.6	W315 I344 K350 G438 F480	W315-W436 HydrophobicContact CH2-CH2 4.08Å; W315-W436 HydrophobicContact CZ2-CH2 4.18Å; I344-W436 HydrophobicContact CD1-CD2 4Å; I344-W436 HydrophobicContact CD1-CE3 4.34Å; I344-W436 HydrophobicContact CD1-CG 4.31Å; I344-W436 HydrophobicContact CD1-CZ2 4.41Å; K350-W436 HydrophobicContact CB-CB 4.08Å; K350-W436 HydrophobicContact CD-CB 3.82Å; K350-W436 HydrophobicContact CD-CD2 4.31Å; K350-W436 HydrophobicContact CD-CE3 3.95Å; K350-W436 HydrophobicContact CD-CG 4.31Å; W436-G438 PolarHBondContact O-N 3.5Å; W436-F480 HydrophobicContact CD2-CE2 4.38Å; W436-F480 HydrophobicContact CD2-CZ 4.02Å; W436-F480 HydrophobicContact CE3-CE2 4.41Å; W436-F480 HydrophobicContact CE3-CZ 4.42Å; W436-F480 HydrophobicContact CG-CZ 4.21Å
437	P	95.4	Very high	95	Very high	11 Å²	11	29.9 Å²	29.9	7%	0.071	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-1.8	177.7	29.8	-36.5	0	0	0	113.8	Y351 C386 R388 C440	Y351-P437 HydrophobicContact CD1-CB 3.68Å; Y351-P437 HydrophobicContact CE1-CB 4.04Å; C386-P437 HydrophobicContact CB-CG 4.49Å; C386-P437 WeakPolarHBondContact SG-CG 3.33Å; R388-P437 HydrophobicContact CB-CB 4.08Å; R388-P437 WeakPolarHBondContact CD-O 3.42Å; R388-P437 PolarHBondContact NE-O 3.16Å; P437-C440 HydrophobicContact CG-CB 4.3Å
438	G	93.3	Very high	95.2	Very high	27 Å²	27	33.9 Å²	33.9	28%	0.278	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	87.7	-141.3	-166.4	0	0	0	0	0	110.9	I434 A435 W436 C440	I434-G438 WeakPolarHBondContact CA-O 3.35Å; A435-G438 PolarHBondContact N-O 2.88Å; A435-G438 VanDerWaalsContact N-O 3.15Å; A435-G438 WeakPolarHBondContact O-CA 3.34Å; A435-G438 PolarHBondContact O-N 3.02Å; W436-G438 PolarHBondContact O-N 3.5Å; G438-C440 PolarHBondContact O-N 3.12Å
439	Q	93.2	Very high	95.5	Very high	62 Å²	62	33.2 Å²	33.2	29%	0.29	18%	0.177	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.5	129.1	180	-77.4	-175.7	-3.9	0	0	112.6	R388 N389 L432 G433 I434 E490	R388-Q439 WeakPolarHBondContact CD-O 3.48Å; N389-Q439 PolarHBondContact N-O 3.15Å; N389-Q439 PolarHBondContact ND2-OE1 2.95Å; N389-Q439 WeakPolarHBondContact OD1-CB 3.31Å; N389-Q439 PolarHBondContact OD1-O 2.87Å; N389-Q439 VanDerWaalsContact OD1-O 3.13Å; L432-Q439 HydrophobicContact CD1-CB 4.02Å; L432-Q439 HydrophobicContact CD1-CG 4.31Å; G433-Q439 CarbonylContact O-C 3.57Å; G433-Q439 VanDerWaalsContact O-CA 3.28Å; G433-Q439 WeakPolarHBondContact O-CA 3.41Å; I434-Q439 HydrophobicContact CD1-CG 4.44Å; I434-Q439 HydrophobicContact CG1-CG 4.1Å; Q439-E490 PolarHBondContact NE2-OE1 3.13Å
440	C	95.7	Very high	95.7	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	170.1	-172	69.8	0	0	0	0	113.8	C386 I387 G433 P437 G438	C386-C440 HydrophobicContact CB-CB 4.02Å; C386-C440 WeakPolarHBondContact CB-SG 3.31Å; C386-C440 WeakPolarHBondContact SG-CB 3.45Å; C386-C440 CovalentContact SG-SG 2Å; C386-C440 PolarHBondContact SG-SG 3.1Å; I387-C440 CarbonylContact O-C 3.01Å; I387-C440 WeakPolarHBondContact O-CA 3.49Å; I387-C440 WeakPolarHBondContact O-CB 3.23Å; G433-C440 PolarHBondContact N-O 3.01Å; G433-C440 PolarHBondContact O-N 3.29Å; P437-C440 HydrophobicContact CG-CB 4.3Å; G438-C440 PolarHBondContact O-N 3.12Å
441	F	97.4	Very high	95.8	Very high	21 Å²	21	29.2 Å²	29.2	9%	0.092	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	151	172.5	-58.2	-34.8	0	0	0	110.6	I387 N389 Y411 L415 F420 P430 F431 L432	I387-F441 PolarHBondContact N-O 3.29Å; I387-F441 PolarHBondContact O-N 2.97Å; N389-F441 HydrophobicContact CB-CD2 4.49Å; N389-F441 HydrophobicContact CB-CE2 4.18Å; N389-F441 HydrophobicContact CB-CZ 4.18Å; Y411-F441 HydrophobicContact CD2-CD2 4.2Å; Y411-F441 HydrophobicContact CD2-CE2 4.47Å; Y411-F441 AromaticContact CE2-CD2 3.76Å; Y411-F441 HydrophobicContact CE2-CD2 3.76Å; Y411-F441 AromaticContact CE2-CE2 3.59Å; Y411-F441 HydrophobicContact CE2-CE2 3.59Å; L415-F441 HydrophobicContact CD2-CE2 4.36Å; F420-F441 HydrophobicContact CB-CB 4.04Å; F420-F441 HydrophobicContact CD1-CB 3.43Å; F420-F441 VanDerWaalsContact CD1-CB 3.43Å; F420-F441 HydrophobicContact CD2-CB 4Å; F420-F441 AromaticContact CD2-CD2 3.8Å; F420-F441 HydrophobicContact CD2-CD2 3.8Å; F420-F441 HydrophobicContact CD2-CG 4.31Å; F420-F441 HydrophobicContact CE1-CB 3.81Å; F420-F441 HydrophobicContact CE2-CB 4.31Å; F420-F441 AromaticContact CE2-CD2 3.96Å; F420-F441 HydrophobicContact CE2-CD2 3.96Å; F420-F441 HydrophobicContact CG-CB 3.55Å; F420-F441 HydrophobicContact CG-CD2 4.22Å; F420-F441 HydrophobicContact CG-CG 4.26Å; F420-F441 HydrophobicContact CZ-CB 4.23Å; P430-F441 HydrophobicContact CB-CB 4.35Å; P430-F441 HydrophobicContact CB-CD1 3.68Å; P430-F441 HydrophobicContact CB-CD2 3.91Å; P430-F441 HydrophobicContact CB-CE1 3.81Å; P430-F441 HydrophobicContact CB-CE2 4.01Å; P430-F441 HydrophobicContact CB-CG 3.74Å; P430-F441 HydrophobicContact CB-CZ 3.98Å; P430-F441 HydrophobicContact CG-CD2 4.12Å; P430-F441 HydrophobicContact CG-CE2 3.96Å; P430-F441 HydrophobicContact CG-CG 4.45Å; P430-F441 HydrophobicContact CG-CZ 4.18Å; F431-F441 VanDerWaalsContact O-CD1 3.29Å; F431-F441 WeakPolarHBondContact O-CD1 3.24Å; L432-F441 HydrophobicContact CB-CE1 4.16Å; L432-F441 HydrophobicContact CD1-CD1 4.23Å; L432-F441 HydrophobicContact CD1-CE1 3.66Å
442	Y	98.3	Very high	96	Very high	1 Å²	1	31 Å²	31	0%	0.004	18%	0.177	C	C	.	.			trans	-103.7	126.7	-179.6	-61.8	-93.6	0	0	0	109.6	P385 C386 F420 V421 F431 D444 P477 S478 M521	P385-Y442 HydrophobicContact CB-CD1 4.44Å; P385-Y442 HydrophobicContact CG-CD1 4.46Å; C386-Y442 HydrophobicContact CB-CE1 3.97Å; F420-Y442 WeakPolarHBondContact CA-O 3.25Å; V421-Y442 WeakPolarHBondContact CG2-O 3.31Å; V421-Y442 PolarHBondContact N-O 3.35Å; F431-Y442 AromaticContact CD1-CD2 3.92Å; F431-Y442 HydrophobicContact CD1-CD2 3.92Å; F431-Y442 AromaticContact CD1-CE2 3.94Å; F431-Y442 HydrophobicContact CD1-CE2 3.94Å; F431-Y442 HydrophobicContact CE1-CD2 4.37Å; F431-Y442 AromaticContact CE1-CE2 3.94Å; F431-Y442 HydrophobicContact CE1-CE2 3.94Å; Y442-D444 PolarHBondContact O-N 2.91Å; Y442-P477 HydrophobicContact CD1-CB 4.15Å; Y442-P477 HydrophobicContact CE1-CB 4.25Å; Y442-S478 PolarHBondContact OH-O 2.79Å; Y442-M521 HydrophobicContact CD2-CE 4.25Å; Y442-M521 HydrophobicContact CG-CE 4.1Å
443	P	98.6	Very high	96.2	Very high	2 Å²	2	29.1 Å²	29.1	1%	0.013	17%	0.167	C	C	.	.	B	Isolated β-bridge	trans	-60.2	131.2	170.4	-24.7	34.7	0	0	0	111	P385 I387 I419 F420 F445 Y453 W454 Y539	P385-P443 WeakPolarHBondContact O-CD 3.46Å; I387-P443 HydrophobicContact CG1-CG 3.9Å; I419-P443 HydrophobicContact CD1-CB 4.11Å; I419-P443 HydrophobicContact CD1-CG 4.46Å; F420-P443 HydrophobicContact CE1-CG 4.34Å; P443-F445 HydrophobicContact CB-CE1 4.06Å; P443-F445 HydrophobicContact CB-CE2 4.47Å; P443-F445 HydrophobicContact CB-CZ 4Å; P443-F445 HydrophobicContact CG-CZ 4.39Å; P443-F445 PolarHBondContact O-N 3.31Å; P443-Y453 HydrophobicContact CB-CE1 4.11Å; P443-Y453 HydrophobicContact CG-CE1 3.97Å; P443-W454 HydrophobicContact CG-CZ3 4.16Å; P443-Y539 WeakPolarHBondContact O-CE2 3.25Å; P443-Y539 PolarHBondContact O-OH 3.32Å
444	D	98.2	Very high	96.5	Very high	4 Å²	4	29.1 Å²	29.1	2%	0.021	17%	0.167	C	C	.	.			trans	-80.8	97.6	168.8	175.4	4.7	0	0	0	109.1	I419 V421 Y442 T446 H447 A450 F527 S528	I419-D444 VanDerWaalsContact O-CB 3.31Å; I419-D444 WeakPolarHBondContact O-CB 3.49Å; I419-D444 PolarHBondContact O-N 3.02Å; V421-D444 HydrophobicContact CG2-CB 3.93Å; Y442-D444 PolarHBondContact O-N 2.91Å; D444-T446 PolarHBondContact O-N 3.39Å; D444-T446 VanDerWaalsContact O-N 3.11Å; D444-T446 WeakPolarHBondContact OD1-CA 3.31Å; D444-T446 WeakPolarHBondContact OD1-CB 3.26Å; D444-T446 PolarHBondContact OD1-N 2.73Å; D444-T446 PolarHBondContact OD1-OG1 2.97Å; D444-H447 HydrophobicContact CB-CB 4.06Å; D444-H447 VanDerWaalsContact O-CB 3.28Å; D444-H447 WeakPolarHBondContact O-CB 3.29Å; D444-H447 PolarHBondContact O-N 3.26Å; D444-H447 PolarHBondContact OD1-N 3.2Å; D444-A450 VanDerWaalsContact O-CB 3.29Å; D444-A450 WeakPolarHBondContact O-CB 3.4Å; D444-F527 HydrophobicContact CB-CD1 4.25Å; D444-F527 WeakPolarHBondContact OD1-CD1 3.33Å; D444-S528 VanDerWaalsContact OD2-CB 3.25Å; D444-S528 WeakPolarHBondContact OD2-CB 3.37Å; D444-S528 PolarHBondContact OD2-N 3.41Å; D444-S528 PolarHBondContact OD2-OG 3.41Å
445	F	98.1	Very high	96.8	Very high	11 Å²	11	30.4 Å²	30.4	5%	0.048	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-4.9	178.8	-61.2	-67.7	0	0	0	114.3	P385 P443 W454 Y539 S542 M543 L546	P385-F445 HydrophobicContact CB-CE2 4.48Å; P443-F445 HydrophobicContact CB-CE1 4.06Å; P443-F445 HydrophobicContact CB-CE2 4.47Å; P443-F445 HydrophobicContact CB-CZ 4Å; P443-F445 HydrophobicContact CG-CZ 4.39Å; P443-F445 PolarHBondContact O-N 3.31Å; F445-W454 AromaticContact CE1-CD2 3.87Å; F445-W454 HydrophobicContact CE1-CD2 3.87Å; F445-W454 AromaticContact CE1-CE2 3.99Å; F445-W454 AromaticContact CE1-CE3 3.79Å; F445-W454 HydrophobicContact CE1-CE3 3.79Å; F445-W454 HydrophobicContact CE1-CH2 4.02Å; F445-W454 HydrophobicContact CE1-CZ2 4.09Å; F445-W454 AromaticContact CE1-CZ3 3.87Å; F445-W454 HydrophobicContact CE1-CZ3 3.87Å; F445-W454 HydrophobicContact CZ-CE3 4.45Å; F445-W454 AromaticContact CZ-CH2 3.94Å; F445-W454 HydrophobicContact CZ-CH2 3.94Å; F445-W454 HydrophobicContact CZ-CZ2 4.23Å; F445-W454 HydrophobicContact CZ-CZ3 4.05Å; F445-Y539 HydrophobicContact CD2-CD2 4.33Å; F445-Y539 HydrophobicContact CD2-CE1 4.38Å; F445-Y539 AromaticContact CD2-CE2 3.82Å; F445-Y539 HydrophobicContact CD2-CE2 3.82Å; F445-Y539 AromaticContact CD2-CZ 3.86Å; F445-Y539 AromaticContact CE2-CE1 3.93Å; F445-Y539 HydrophobicContact CE2-CE1 3.93Å; F445-Y539 AromaticContact CE2-CE2 3.96Å; F445-Y539 HydrophobicContact CE2-CE2 3.96Å; F445-Y539 AromaticContact CE2-CZ 3.5Å; F445-Y539 WeakPolarHBondContact CE2-OH 3.34Å; F445-S542 WeakPolarHBondContact CB-OG 3.32Å; F445-M543 HydrophobicContact CD2-CB 3.65Å; F445-M543 HydrophobicContact CD2-CG 4.17Å; F445-M543 HydrophobicContact CE1-CB 4.36Å; F445-M543 HydrophobicContact CE1-CG 3.95Å; F445-M543 HydrophobicContact CE2-CB 3.45Å; F445-M543 VanDerWaalsContact CE2-CB 3.45Å; F445-M543 HydrophobicContact CE2-CG 3.5Å; F445-M543 VanDerWaalsContact CE2-CG 3.5Å; F445-M543 HydrophobicContact CE2-SD 3.78Å; F445-M543 HydrophobicContact CG-CB 4.2Å; F445-M543 HydrophobicContact CZ-CB 3.85Å; F445-M543 HydrophobicContact CZ-CE 4.23Å; F445-M543 HydrophobicContact CZ-CG 3.38Å; F445-M543 HydrophobicContact CZ-SD 3.76Å; F445-L546 HydrophobicContact CB-CD1 4.32Å; F445-L546 HydrophobicContact CD1-CD1 4.28Å; F445-L546 HydrophobicContact CD1-CD2 4.32Å; F445-L546 WeakPolarHBondContact O-CD1 3.45Å
446	T	96.2	Very high	97.1	Very high	19 Å²	19	32.3 Å²	32.3	12%	0.117	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.8	-8.9	171.8	68.1	0	0	0	0	112.9	L127 D444 G529 F535	L127-T446 HydrophobicContact CD1-CG2 4.49Å; D444-T446 PolarHBondContact O-N 3.39Å; D444-T446 VanDerWaalsContact O-N 3.11Å; D444-T446 WeakPolarHBondContact OD1-CA 3.31Å; D444-T446 WeakPolarHBondContact OD1-CB 3.26Å; D444-T446 PolarHBondContact OD1-N 2.73Å; D444-T446 PolarHBondContact OD1-OG1 2.97Å; T446-G529 WeakPolarHBondContact OG1-CA 3.39Å; T446-G529 PolarHBondContact OG1-N 3.4Å; T446-F535 HydrophobicContact CG2-CD2 4.24Å; T446-F535 HydrophobicContact CG2-CE1 4.03Å; T446-F535 HydrophobicContact CG2-CE2 3.35Å; T446-F535 HydrophobicContact CG2-CZ 3.23Å
447	H	97.4	Very high	97.3	Very high	38 Å²	38	28.3 Å²	28.3	18%	0.176	16%	0.164	C	C	.	.	S	Bend	trans	-67.1	139.8	179.1	-171.1	-87.7	0	0	0	110.8	D444 N449 A450 S528	D444-H447 HydrophobicContact CB-CB 4.06Å; D444-H447 VanDerWaalsContact O-CB 3.28Å; D444-H447 WeakPolarHBondContact O-CB 3.29Å; D444-H447 PolarHBondContact O-N 3.26Å; D444-H447 PolarHBondContact OD1-N 3.2Å; H447-N449 WeakPolarHBondContact ND1-CB 3.19Å; H447-N449 PolarHBondContact ND1-N 2.89Å; H447-N449 PolarHBondContact O-N 3.45Å; H447-N449 VanDerWaalsContact O-N 3.1Å; H447-A450 HydrophobicContact CB-CB 4.36Å; H447-A450 WeakPolarHBondContact O-CB 3.49Å; H447-A450 PolarHBondContact O-N 3.09Å; H447-S528 WeakPolarHBondContact CA-OG 3.42Å; H447-S528 PolarHBondContact CD2-OG 3.17Å
448	P	96.2	Very high	97.4	Very high	108 Å²	108	27.8 Å²	27.8	70%	0.701	16%	0.161	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.5	-31.7	-179.2	-28.6	35.6	0	0	0	115
449	N	97.8	Very high	97.6	Very high	75 Å²	75	28.8 Å²	28.8	40%	0.401	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.4	-5.3	176.9	-64.5	-22	0	0	0	114.1	K417 I419 H447 T451 A452 Y453	K417-N449 HydrophobicContact CB-CB 4.38Å; K417-N449 PolarHBondContact O-ND2 2.94Å; I419-N449 HydrophobicContact CG2-CB 3.77Å; H447-N449 WeakPolarHBondContact ND1-CB 3.19Å; H447-N449 PolarHBondContact ND1-N 2.89Å; H447-N449 PolarHBondContact O-N 3.45Å; H447-N449 VanDerWaalsContact O-N 3.1Å; N449-T451 VanDerWaalsContact C-N 3.31Å; N449-T451 PolarHBondContact O-N 3.05Å; N449-A452 PolarHBondContact O-N 2.74Å; N449-Y453 WeakPolarHBondContact O-CB 3.46Å; N449-Y453 PolarHBondContact O-N 2.89Å
450	A	98.1	Very high	97.8	Very high	2 Å²	2	28.7 Å²	28.7	2%	0.017	16%	0.158	C	C	.	.	H	α-helix	trans	-61	-39.7	-173	0	0	0	0	0	112.3	D444 H447 Y453 W454 L546	D444-A450 VanDerWaalsContact O-CB 3.29Å; D444-A450 WeakPolarHBondContact O-CB 3.4Å; H447-A450 HydrophobicContact CB-CB 4.36Å; H447-A450 WeakPolarHBondContact O-CB 3.49Å; H447-A450 PolarHBondContact O-N 3.09Å; A450-Y453 PolarHBondContact O-N 3.49Å; A450-W454 VanDerWaalsContact O-CB 3.27Å; A450-W454 WeakPolarHBondContact O-CB 3.44Å; A450-W454 PolarHBondContact O-N 3.01Å; A450-L546 HydrophobicContact CB-CD1 3.69Å
451	T	97.8	Very high	97.9	Very high	45 Å²	45	28.8 Å²	28.8	28%	0.276	16%	0.158	S	C	.	.	H	α-helix	trans	-61.1	-47.6	177.8	-57.3	0	0	0	0	111.5	N449 W454 Y455 V550	N449-T451 VanDerWaalsContact C-N 3.31Å; N449-T451 PolarHBondContact O-N 3.05Å; T451-W454 PolarHBondContact O-N 3.37Å; T451-Y455 WeakPolarHBondContact O-CB 3.42Å; T451-Y455 PolarHBondContact O-N 3.11Å; T451-V550 HydrophobicContact CG2-CG2 4.37Å
452	A	98.2	Very high	97.9	Very high	50 Å²	50	29.3 Å²	29.3	41%	0.413	16%	0.164	S	C	.	.	H	α-helix	trans	-65.6	-44.4	179.4	0	0	0	0	0	111.6	N449 Y455 D456	N449-A452 PolarHBondContact O-N 2.74Å; A452-Y455 PolarHBondContact O-N 2.9Å; A452-D456 VanDerWaalsContact O-CG 3.28Å; A452-D456 PolarHBondContact O-N 3.26Å
453	Y	98.7	Very high	97.8	Very high	2 Å²	2	35.4 Å²	35.4	1%	0.008	19%	0.191	C	C	.	.	H	α-helix	trans	-56.5	-52.2	174.8	167.4	-105.5	0	0	0	111.9	P410 D413 K417 I419 P443 N449 A450 D456 Q457	P410-Y453 WeakPolarHBondContact O-CE2 2.98Å; P410-Y453 PolarHBondContact O-OH 3.09Å; D413-Y453 HydrophobicContact CB-CD2 4.15Å; D413-Y453 HydrophobicContact CB-CE2 4.16Å; K417-Y453 HydrophobicContact CD-CD2 4.33Å; I419-Y453 HydrophobicContact CD1-CD1 3.99Å; I419-Y453 HydrophobicContact CD1-CD2 4.38Å; I419-Y453 HydrophobicContact CD1-CE1 3.83Å; I419-Y453 HydrophobicContact CD1-CE2 4.25Å; I419-Y453 HydrophobicContact CD1-CG 4.27Å; I419-Y453 HydrophobicContact CG1-CD1 3.87Å; I419-Y453 HydrophobicContact CG1-CD2 3.95Å; I419-Y453 HydrophobicContact CG1-CE1 4.21Å; I419-Y453 HydrophobicContact CG1-CE2 4.3Å; I419-Y453 HydrophobicContact CG1-CG 3.73Å; P443-Y453 HydrophobicContact CB-CE1 4.11Å; P443-Y453 HydrophobicContact CG-CE1 3.97Å; N449-Y453 WeakPolarHBondContact O-CB 3.46Å; N449-Y453 PolarHBondContact O-N 2.89Å; A450-Y453 PolarHBondContact O-N 3.49Å; Y453-D456 WeakPolarHBondContact O-CB 3.37Å; Y453-D456 PolarHBondContact O-N 3.2Å; Y453-Q457 HydrophobicContact CD2-CG 4.19Å; Y453-Q457 HydrophobicContact CE1-CG 4.18Å; Y453-Q457 HydrophobicContact CE2-CG 3.7Å; Y453-Q457 WeakPolarHBondContact O-CG 3.34Å; Y453-Q457 PolarHBondContact O-N 3.49Å; Y453-Q457 PolarHBondContact O-NE2 3.11Å
454	W	98.4	Very high	97.6	Very high	1 Å²	1	39.2 Å²	39.2	0%	0.004	21%	0.211	C	C	.	.	H	α-helix	trans	-68.9	-36.1	-176	-156.1	-117.2	0	0	0	112.2	F353 V383 P443 F445 A450 T451 Q457 I458 M543 L546 T547 V550	F353-W454 HydrophobicContact CE2-CE3 4.2Å; F353-W454 AromaticContact CE2-CH2 3.71Å; F353-W454 HydrophobicContact CE2-CH2 3.71Å; F353-W454 HydrophobicContact CE2-CZ2 4.43Å; F353-W454 AromaticContact CE2-CZ3 3.58Å; F353-W454 HydrophobicContact CE2-CZ3 3.58Å; F353-W454 HydrophobicContact CZ-CD2 4.22Å; F353-W454 AromaticContact CZ-CE3 3.98Å; F353-W454 HydrophobicContact CZ-CE3 3.98Å; F353-W454 AromaticContact CZ-CH2 3.44Å; F353-W454 HydrophobicContact CZ-CH2 3.44Å; F353-W454 VanDerWaalsContact CZ-CH2 3.44Å; F353-W454 AromaticContact CZ-CZ2 3.71Å; F353-W454 HydrophobicContact CZ-CZ2 3.71Å; F353-W454 AromaticContact CZ-CZ3 3.6Å; F353-W454 HydrophobicContact CZ-CZ3 3.6Å; V383-W454 HydrophobicContact CG1-CH2 4.09Å; V383-W454 HydrophobicContact CG1-CZ2 4.16Å; P443-W454 HydrophobicContact CG-CZ3 4.16Å; F445-W454 AromaticContact CE1-CD2 3.87Å; F445-W454 HydrophobicContact CE1-CD2 3.87Å; F445-W454 AromaticContact CE1-CE2 3.99Å; F445-W454 AromaticContact CE1-CE3 3.79Å; F445-W454 HydrophobicContact CE1-CE3 3.79Å; F445-W454 HydrophobicContact CE1-CH2 4.02Å; F445-W454 HydrophobicContact CE1-CZ2 4.09Å; F445-W454 AromaticContact CE1-CZ3 3.87Å; F445-W454 HydrophobicContact CE1-CZ3 3.87Å; F445-W454 HydrophobicContact CZ-CE3 4.45Å; F445-W454 AromaticContact CZ-CH2 3.94Å; F445-W454 HydrophobicContact CZ-CH2 3.94Å; F445-W454 HydrophobicContact CZ-CZ2 4.23Å; F445-W454 HydrophobicContact CZ-CZ3 4.05Å; A450-W454 VanDerWaalsContact O-CB 3.27Å; A450-W454 WeakPolarHBondContact O-CB 3.44Å; A450-W454 PolarHBondContact O-N 3.01Å; T451-W454 PolarHBondContact O-N 3.37Å; W454-Q457 PolarHBondContact O-N 2.87Å; W454-I458 VanDerWaalsContact CD1-CD1 3.41Å; W454-I458 HydrophobicContact CG-CD1 4.22Å; W454-I458 WeakPolarHBondContact O-CB 3.46Å; W454-I458 WeakPolarHBondContact O-CG1 3.36Å; W454-I458 PolarHBondContact O-N 3.36Å; W454-M543 HydrophobicContact CH2-CE 3.74Å; W454-M543 HydrophobicContact CZ2-CE 3.57Å; W454-M543 HydrophobicContact CZ2-CG 4.47Å; W454-L546 HydrophobicContact CB-CD2 3.28Å; W454-L546 HydrophobicContact CD2-CD2 4.43Å; W454-L546 HydrophobicContact CG-CD2 3.41Å; W454-L546 VanDerWaalsContact CG-CD2 3.41Å; W454-T547 PolarHBondContact NE1-OG1 3.04Å; W454-V550 HydrophobicContact CB-CG2 4.28Å
455	Y	98.6	Very high	97.5	Very high	68 Å²	68	39 Å²	39	27%	0.267	21%	0.21	S	C	.	.	H	α-helix	trans	-56.5	-49.5	169.9	-179.7	-86.6	0	0	0	111.5	T451 A452 Q457 M459 V550 Q553 L554	T451-Y455 WeakPolarHBondContact O-CB 3.42Å; T451-Y455 PolarHBondContact O-N 3.11Å; A452-Y455 PolarHBondContact O-N 2.9Å; Y455-Q457 PolarHBondContact O-N 2.86Å; Y455-M459 HydrophobicContact CD1-CE 4.1Å; Y455-M459 HydrophobicContact CE1-CB 4.43Å; Y455-M459 HydrophobicContact CE1-CE 3.47Å; Y455-M459 VanDerWaalsContact CE1-CE 3.47Å; Y455-M459 WeakPolarHBondContact O-CB 3.46Å; Y455-M459 PolarHBondContact O-N 3.49Å; Y455-V550 HydrophobicContact CD2-CG1 4.15Å; Y455-Q553 HydrophobicContact CD2-CB 4.02Å; Y455-Q553 HydrophobicContact CE2-CB 3.89Å; Y455-L554 HydrophobicContact CD2-CD2 4.04Å; Y455-L554 HydrophobicContact CD2-CG 4.04Å; Y455-L554 HydrophobicContact CE1-CD2 4.32Å; Y455-L554 HydrophobicContact CE2-CD2 3.35Å; Y455-L554 HydrophobicContact CE2-CG 3.65Å
456	D	98.4	Very high	97.5	Very high	45 Å²	45	44.3 Å²	44.3	24%	0.241	23%	0.233	C	C	.	.	H	α-helix	trans	-59.4	-46	178.5	-69.6	-22.7	0	0	0	111.3	K417 A452 Y453 M459 K460	K417-D456 WeakPolarHBondContact CE-OD2 3.46Å; K417-D456 IonicContact NZ-OD2 3.03Å; K417-D456 PolarHBondContact NZ-OD2 3.05Å; A452-D456 VanDerWaalsContact O-CG 3.28Å; A452-D456 PolarHBondContact O-N 3.26Å; Y453-D456 WeakPolarHBondContact O-CB 3.37Å; Y453-D456 PolarHBondContact O-N 3.2Å; D456-M459 PolarHBondContact O-N 3.01Å; D456-K460 WeakPolarHBondContact O-CB 3.37Å; D456-K460 WeakPolarHBondContact O-CG 3.43Å; D456-K460 PolarHBondContact O-N 3.41Å
457	Q	98.5	Very high	97.5	Very high	2 Å²	2	44.7 Å²	44.7	1%	0.009	23%	0.233	C	C	.	.	H	α-helix	trans	-66.1	-47.3	-178.1	-57.7	-33.4	-59.3	0	0	112.3	F353 P410 D413 Y453 W454 Y455 M459 K460 Y461	F353-Q457 HydrophobicContact CD1-CB 4.14Å; F353-Q457 HydrophobicContact CD2-CB 3.85Å; F353-Q457 HydrophobicContact CD2-CG 4.34Å; F353-Q457 HydrophobicContact CE1-CB 4.03Å; F353-Q457 HydrophobicContact CE2-CB 3.71Å; F353-Q457 HydrophobicContact CE2-CG 4.21Å; F353-Q457 HydrophobicContact CG-CB 4.04Å; F353-Q457 HydrophobicContact CZ-CB 3.8Å; P410-Q457 HydrophobicContact CB-CG 4.48Å; D413-Q457 PolarHBondContact OD2-NE2 3.19Å; Y453-Q457 HydrophobicContact CD2-CG 4.19Å; Y453-Q457 HydrophobicContact CE1-CG 4.18Å; Y453-Q457 HydrophobicContact CE2-CG 3.7Å; Y453-Q457 WeakPolarHBondContact O-CG 3.34Å; Y453-Q457 PolarHBondContact O-N 3.49Å; Y453-Q457 PolarHBondContact O-NE2 3.11Å; W454-Q457 PolarHBondContact O-N 2.87Å; Y455-Q457 PolarHBondContact O-N 2.86Å; Q457-M459 VanDerWaalsContact C-N 3.34Å; Q457-M459 PolarHBondContact O-N 2.83Å; Q457-K460 PolarHBondContact O-N 3.15Å; Q457-Y461 WeakPolarHBondContact O-CB 3.33Å; Q457-Y461 PolarHBondContact O-N 2.99Å
458	I	98.5	Very high	97.6	Very high	1 Å²	1	43.9 Å²	43.9	1%	0.005	23%	0.23	C	C	.	.	H	α-helix	trans	-64.5	-41.3	177.1	-68.3	178.8	0	0	0	110.4	F353 W454 Y461 S462 F467 L470 T547 V550 L554	F353-I458 HydrophobicContact CE1-CG1 3.79Å; F353-I458 HydrophobicContact CZ-CG1 4.32Å; W454-I458 VanDerWaalsContact CD1-CD1 3.41Å; W454-I458 HydrophobicContact CG-CD1 4.22Å; W454-I458 WeakPolarHBondContact O-CB 3.46Å; W454-I458 WeakPolarHBondContact O-CG1 3.36Å; W454-I458 PolarHBondContact O-N 3.36Å; I458-Y461 PolarHBondContact O-N 3.47Å; I458-S462 VanDerWaalsContact O-CB 3.3Å; I458-S462 WeakPolarHBondContact O-CB 3.44Å; I458-S462 PolarHBondContact O-N 2.67Å; I458-F467 HydrophobicContact CG2-CE2 4.45Å; I458-F467 HydrophobicContact CG2-CZ 3.85Å; I458-L470 HydrophobicContact CD1-CD1 3.82Å; I458-L470 HydrophobicContact CG1-CD1 4.25Å; I458-T547 HydrophobicContact CD1-CG2 4.07Å; I458-V550 HydrophobicContact CB-CG1 4.11Å; I458-V550 HydrophobicContact CD1-CB 4.35Å; I458-V550 HydrophobicContact CD1-CG1 3.74Å; I458-V550 HydrophobicContact CG1-CG1 4.4Å; I458-V550 HydrophobicContact CG2-CG1 4.34Å; I458-L554 HydrophobicContact CB-CD1 4.16Å; I458-L554 HydrophobicContact CG2-CD1 3.41Å; I458-L554 VanDerWaalsContact CG2-CD1 3.41Å
459	M	98.3	Very high	97.7	Very high	47 Å²	47	38.8 Å²	38.8	23%	0.232	20%	0.197	C	C	.	.	H	α-helix	trans	-63.6	-46.4	178.7	-172.7	-122.5	-68.1	0	0	111.4	Y455 D456 Q457 S462 K463 L554	Y455-M459 HydrophobicContact CD1-CE 4.1Å; Y455-M459 HydrophobicContact CE1-CB 4.43Å; Y455-M459 HydrophobicContact CE1-CE 3.47Å; Y455-M459 VanDerWaalsContact CE1-CE 3.47Å; Y455-M459 WeakPolarHBondContact O-CB 3.46Å; Y455-M459 PolarHBondContact O-N 3.49Å; D456-M459 PolarHBondContact O-N 3.01Å; Q457-M459 VanDerWaalsContact C-N 3.34Å; Q457-M459 PolarHBondContact O-N 2.83Å; M459-S462 PolarHBondContact O-N 2.82Å; M459-S462 PolarHBondContact O-OG 3.05Å; M459-K463 PolarHBondContact O-N 3.44Å; M459-K463 VanDerWaalsContact SD-CE 3.5Å; M459-K463 PolarHBondContact SD-NZ 2.65Å; M459-K463 VanDerWaalsContact SD-NZ 3.37Å; M459-L554 HydrophobicContact CB-CD2 3.89Å; M459-L554 HydrophobicContact CG-CD2 3.96Å
460	K	97.2	Very high	97.7	Very high	61 Å²	61	35.3 Å²	35.3	27%	0.265	18%	0.178	S	C	.	.	H	α-helix	trans	-59.5	-50.2	175.2	-72.9	171.5	-177.3	-170.9	0	110.7	D409 D413 D456 Q457 S462 K463	D409-K460 HydrophobicContact CB-CD 4.3Å; D409-K460 WeakPolarHBondContact OD2-CD 3.4Å; D409-K460 WeakPolarHBondContact OD2-CE 3.47Å; D409-K460 IonicContact OD2-NZ 3.03Å; D409-K460 PolarHBondContact OD2-NZ 2.82Å; D413-K460 IonicContact OD1-NZ 3.94Å; D413-K460 IonicContact OD2-NZ 2.67Å; D413-K460 PolarHBondContact OD2-NZ 3.46Å; D456-K460 WeakPolarHBondContact O-CB 3.37Å; D456-K460 WeakPolarHBondContact O-CG 3.43Å; D456-K460 PolarHBondContact O-N 3.41Å; Q457-K460 PolarHBondContact O-N 3.15Å; K460-S462 VanDerWaalsContact C-N 3.26Å; K460-S462 PolarHBondContact O-N 2.97Å; K460-K463 VanDerWaalsContact O-CB 3.3Å; K460-K463 WeakPolarHBondContact O-CB 3.4Å; K460-K463 PolarHBondContact O-N 2.68Å
461	Y	97.6	Very high	97.8	Very high	2 Å²	2	35.6 Å²	35.6	1%	0.008	18%	0.179	C	C	.	.	H	α-helix	trans	-60.1	-36.8	178.2	-168.7	-133.5	0	0	0	112.6	F353 P381 Q457 I458 K463 D464 I465 F467	F353-Y461 VanDerWaalsContact C-CD2 3.48Å; F353-Y461 HydrophobicContact CB-CD2 4.41Å; F353-Y461 HydrophobicContact CB-CG 4.32Å; F353-Y461 HydrophobicContact CD1-CD1 4.12Å; F353-Y461 HydrophobicContact CD1-CG 4.12Å; F353-Y461 WeakPolarHBondContact O-CD2 3.44Å; P381-Y461 HydrophobicContact CB-CE1 4.07Å; P381-Y461 WeakPolarHBondContact CB-OH 3.21Å; P381-Y461 HydrophobicContact CG-CE1 3.67Å; Q457-Y461 WeakPolarHBondContact O-CB 3.33Å; Q457-Y461 PolarHBondContact O-N 2.99Å; I458-Y461 PolarHBondContact O-N 3.47Å; Y461-K463 PolarHBondContact O-N 2.79Å; Y461-D464 PolarHBondContact O-N 3.42Å; Y461-D464 VanDerWaalsContact O-N 3.17Å; Y461-I465 HydrophobicContact CE2-CD1 3.82Å; Y461-I465 PolarHBondContact O-N 3.33Å; Y461-F467 AromaticContact CD1-CD1 3.97Å; Y461-F467 HydrophobicContact CD1-CD1 3.97Å; Y461-F467 AromaticContact CD1-CE1 3.56Å; Y461-F467 HydrophobicContact CD1-CE1 3.56Å; Y461-F467 HydrophobicContact CD1-CZ 4.43Å; Y461-F467 HydrophobicContact CE1-CD1 4.19Å; Y461-F467 HydrophobicContact CE1-CE1 4.23Å; Y461-F467 HydrophobicContact CG-CE1 4.21Å
462	S	97	Very high	97.8	Very high	31 Å²	31	33.5 Å²	33.5	22%	0.217	17%	0.166	C	C	.	.	H	α-helix	trans	-67.9	-17.9	176.4	81.3	0	0	0	0	114	I458 M459 K460 I465 K466	I458-S462 VanDerWaalsContact O-CB 3.3Å; I458-S462 WeakPolarHBondContact O-CB 3.44Å; I458-S462 PolarHBondContact O-N 2.67Å; M459-S462 PolarHBondContact O-N 2.82Å; M459-S462 PolarHBondContact O-OG 3.05Å; K460-S462 VanDerWaalsContact C-N 3.26Å; K460-S462 PolarHBondContact O-N 2.97Å; S462-I465 CarbonylContact C-O 3.59Å; S462-I465 WeakPolarHBondContact CA-O 3.41Å; S462-K466 WeakPolarHBondContact O-CD 3.47Å; S462-K466 WeakPolarHBondContact O-CE 3.44Å; S462-K466 PolarHBondContact O-NZ 3.27Å
463	K	96.2	Very high	97.8	Very high	130 Å²	130	31.4 Å²	31.4	57%	0.565	15%	0.148	S	C	*	.	H	α-helix	trans	-74.2	-39.5	173	-68.7	172.4	-174.2	169.3	0	110.5	M459 K460 Y461	M459-K463 PolarHBondContact O-N 3.44Å; M459-K463 VanDerWaalsContact SD-CE 3.5Å; M459-K463 PolarHBondContact SD-NZ 2.65Å; M459-K463 VanDerWaalsContact SD-NZ 3.37Å; K460-K463 VanDerWaalsContact O-CB 3.3Å; K460-K463 WeakPolarHBondContact O-CB 3.4Å; K460-K463 PolarHBondContact O-N 2.68Å; Y461-K463 PolarHBondContact O-N 2.79Å
464	D	93.5	Very high	97.7	Very high	82 Å²	82	31.7 Å²	31.7	44%	0.439	15%	0.15	S	C	.	.	H	α-helix	trans	-74.8	-49.4	178.8	-63.7	-22.4	0	0	0	111.5	Y355 P366 Y461	Y355-D464 HydrophobicContact CD1-CB 4.3Å; Y355-D464 HydrophobicContact CE1-CB 3.92Å; P366-D464 WeakPolarHBondContact CB-O 3.4Å; P366-D464 WeakPolarHBondContact CG-O 3.46Å; Y461-D464 PolarHBondContact O-N 3.42Å; Y461-D464 VanDerWaalsContact O-N 3.17Å
465	I	96.8	Very high	97.7	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	15%	0.15	C	C	.	.			trans	-124	123.6	-177.3	-61.4	172.5	0	0	0	109.8	Y355 L365 V369 F379 Y461 S462 F467	Y355-I465 HydrophobicContact CD1-CD1 4.02Å; Y355-I465 HydrophobicContact CD1-CG1 4.25Å; Y355-I465 HydrophobicContact CG-CD1 4.02Å; L365-I465 HydrophobicContact CD2-CD1 3.55Å; L365-I465 HydrophobicContact CD2-CG1 4.43Å; L365-I465 HydrophobicContact CG-CD1 4.26Å; V369-I465 HydrophobicContact CG1-CG2 4.46Å; V369-I465 HydrophobicContact CG2-CG2 4.11Å; F379-I465 HydrophobicContact CD1-CG2 3.81Å; F379-I465 HydrophobicContact CE1-CG2 3.89Å; Y461-I465 HydrophobicContact CE2-CD1 3.82Å; Y461-I465 PolarHBondContact O-N 3.33Å; S462-I465 CarbonylContact C-O 3.59Å; S462-I465 WeakPolarHBondContact CA-O 3.41Å; I465-F467 HydrophobicContact CG2-CB 4.34Å; I465-F467 VanDerWaalsContact O-CD1 3.22Å; I465-F467 WeakPolarHBondContact O-CD1 3.13Å; I465-F467 PolarHBondContact O-N 2.77Å
466	K	97.2	Very high	97.7	Very high	121 Å²	121	28.4 Å²	28.4	53%	0.526	14%	0.137	S	C	.	.			trans	-81.5	58.9	177.2	-59.1	-61.8	171.4	-160.2	0	112.1	K373 S462	K373-K466 PolarHBondContact NZ-O 3.15Å; S462-K466 WeakPolarHBondContact O-CD 3.47Å; S462-K466 WeakPolarHBondContact O-CE 3.44Å; S462-K466 PolarHBondContact O-NZ 3.27Å
467	F	98.1	Very high	97.5	Very high	28 Å²	28	26.2 Å²	26.2	12%	0.123	13%	0.126	C	C	.	.			trans	-65.3	159.2	177.1	61.6	-98.7	0	0	0	112.6	F379 P381 I458 Y461 I465 G469 L470	F379-F467 HydrophobicContact CD1-CB 4.43Å; F379-F467 WeakPolarHBondContact O-CA 3.45Å; P381-F467 HydrophobicContact CG-CB 3.76Å; P381-F467 HydrophobicContact CG-CD1 4.19Å; P381-F467 HydrophobicContact CG-CG 4.04Å; I458-F467 HydrophobicContact CG2-CE2 4.45Å; I458-F467 HydrophobicContact CG2-CZ 3.85Å; Y461-F467 AromaticContact CD1-CD1 3.97Å; Y461-F467 HydrophobicContact CD1-CD1 3.97Å; Y461-F467 AromaticContact CD1-CE1 3.56Å; Y461-F467 HydrophobicContact CD1-CE1 3.56Å; Y461-F467 HydrophobicContact CD1-CZ 4.43Å; Y461-F467 HydrophobicContact CE1-CD1 4.19Å; Y461-F467 HydrophobicContact CE1-CE1 4.23Å; Y461-F467 HydrophobicContact CG-CE1 4.21Å; I465-F467 HydrophobicContact CG2-CB 4.34Å; I465-F467 VanDerWaalsContact O-CD1 3.22Å; I465-F467 WeakPolarHBondContact O-CD1 3.13Å; I465-F467 PolarHBondContact O-N 2.77Å; F467-G469 WeakPolarHBondContact CD2-O 3.19Å; F467-L470 HydrophobicContact CD2-CD2 3.9Å; F467-L470 HydrophobicContact CD2-CG 4.29Å; F467-L470 HydrophobicContact CE1-CD2 4.48Å; F467-L470 HydrophobicContact CE2-CD1 4.38Å; F467-L470 HydrophobicContact CE2-CD2 3.72Å; F467-L470 HydrophobicContact CE2-CG 3.95Å; F467-L470 HydrophobicContact CG-CD2 4.38Å; F467-L470 HydrophobicContact CZ-CD2 4.05Å
468	D	97.9	Very high	97.4	Very high	21 Å²	21	26.1 Å²	26.1	11%	0.112	13%	0.125	C	C	.	.	S	Bend	trans	-114.7	-12.2	-176.1	-61.4	-72.3	0	0	0	113	W306 K373 H378 F379	W306-D468 HydrophobicContact CH2-CB 4.42Å; W306-D468 HydrophobicContact CZ2-CB 4.18Å; K373-D468 VanDerWaalsContact NZ-CG 3.28Å; K373-D468 IonicContact NZ-OD1 3.38Å; K373-D468 PolarHBondContact NZ-OD1 2.74Å; K373-D468 IonicContact NZ-OD2 3.71Å; K373-D468 PolarHBondContact NZ-OD2 3.33Å; K373-D468 VanDerWaalsContact NZ-OD2 3.14Å; H378-D468 WeakPolarHBondContact CA-OD2 3.27Å; H378-D468 HydrophobicContact CB-CB 3.9Å; H378-D468 IonicContact CD2-OD1 3.42Å; H378-D468 IonicContact CD2-OD2 3.69Å; F379-D468 PolarHBondContact N-OD2 2.77Å; F379-D468 PolarHBondContact O-N 3.11Å
469	G	98.5	Very high	97	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	13%	0.125	C	C	.	.	S	Bend	trans	-160.5	178.9	173.5	0	0	0	0	0	111	P381 F467 F561	P381-G469 WeakPolarHBondContact CD-O 3.45Å; F467-G469 WeakPolarHBondContact CD2-O 3.19Å; G469-F561 CarbonylContact C-O 3.53Å; G469-F561 WeakPolarHBondContact CA-O 3.43Å
470	L	98.8	Very high	96.5	Very high	2 Å²	2	26.8 Å²	26.8	1%	0.01	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	138.9	178.1	-68.4	175.4	0	0	0	111.3	P381 V383 I458 F467 T547 M551 F561 I562 V563	P381-L470 HydrophobicContact CG-CD2 4.2Å; V383-L470 HydrophobicContact CG2-CD2 3.9Å; I458-L470 HydrophobicContact CD1-CD1 3.82Å; I458-L470 HydrophobicContact CG1-CD1 4.25Å; F467-L470 HydrophobicContact CD2-CD2 3.9Å; F467-L470 HydrophobicContact CD2-CG 4.29Å; F467-L470 HydrophobicContact CE1-CD2 4.48Å; F467-L470 HydrophobicContact CE2-CD1 4.38Å; F467-L470 HydrophobicContact CE2-CD2 3.72Å; F467-L470 HydrophobicContact CE2-CG 3.95Å; F467-L470 HydrophobicContact CG-CD2 4.38Å; F467-L470 HydrophobicContact CZ-CD2 4.05Å; L470-T547 HydrophobicContact CD1-CG2 3.68Å; L470-M551 HydrophobicContact CD1-SD 4.23Å; L470-M551 HydrophobicContact CG-SD 4.42Å; L470-F561 PolarHBondContact N-O 3.28Å; L470-I562 WeakPolarHBondContact O-CA 3.39Å; L470-V563 PolarHBondContact O-N 2.67Å
471	W	98.8	Very high	95.7	Very high	8 Å²	8	23.9 Å²	23.9	3%	0.03	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	115.5	171.2	176.9	19.1	0	0	0	109	W341 D343 V380 P381 I382 V383 V563 W578 H639	W341-W471 HydrophobicContact CE3-CB 3.72Å; W341-W471 AromaticContact CE3-CD2 3.75Å; W341-W471 HydrophobicContact CE3-CD2 3.75Å; W341-W471 AromaticContact CE3-CE3 3.69Å; W341-W471 HydrophobicContact CE3-CE3 3.69Å; W341-W471 AromaticContact CE3-CG 3.77Å; W341-W471 HydrophobicContact CE3-CG 3.77Å; W341-W471 HydrophobicContact CZ3-CB 3.39Å; W341-W471 AromaticContact CZ3-CD1 3.95Å; W341-W471 AromaticContact CZ3-CD2 3.85Å; W341-W471 HydrophobicContact CZ3-CD2 3.85Å; W341-W471 HydrophobicContact CZ3-CE3 4.28Å; W341-W471 AromaticContact CZ3-CG 3.43Å; W341-W471 HydrophobicContact CZ3-CG 3.43Å; W341-W471 VanDerWaalsContact CZ3-CG 3.43Å; D343-W471 HydrophobicContact CB-CZ3 3.98Å; D343-W471 VanDerWaalsContact CG-CZ3 3.49Å; D343-W471 VanDerWaalsContact OD2-CH2 3.27Å; D343-W471 WeakPolarHBondContact OD2-CH2 3.46Å; D343-W471 WeakPolarHBondContact OD2-CZ3 3.38Å; V380-W471 HydrophobicContact CG1-CB 4.06Å; P381-W471 PolarHBondContact O-N 3.19Å; I382-W471 CarbonylContact C-O 3.57Å; I382-W471 VanDerWaalsContact CA-O 3.24Å; I382-W471 WeakPolarHBondContact CA-O 3.37Å; I382-W471 HydrophobicContact CB-CB 4.4Å; I382-W471 HydrophobicContact CB-CD2 3.95Å; I382-W471 HydrophobicContact CB-CE3 3.56Å; I382-W471 HydrophobicContact CB-CG 4.35Å; I382-W471 HydrophobicContact CB-CZ3 4.09Å; I382-W471 HydrophobicContact CD1-CD2 3.91Å; I382-W471 HydrophobicContact CD1-CE3 3.88Å; I382-W471 HydrophobicContact CD1-CH2 3.83Å; I382-W471 HydrophobicContact CD1-CZ2 3.89Å; I382-W471 HydrophobicContact CD1-CZ3 3.84Å; I382-W471 HydrophobicContact CG1-CD2 4.04Å; I382-W471 HydrophobicContact CG1-CE3 4.06Å; I382-W471 HydrophobicContact CG1-CG 4.37Å; I382-W471 HydrophobicContact CG1-CZ3 4.47Å; V383-W471 PolarHBondContact N-O 3.41Å; W471-V563 CarbonylContact C-O 3.58Å; W471-V563 WeakPolarHBondContact CA-O 3.43Å; W471-W578 AromaticContact CD1-CH2 3.55Å; W471-W578 AromaticContact CD1-CZ3 3.45Å; W471-W578 VanDerWaalsContact CD1-CZ3 3.45Å; W471-W578 AromaticContact CE2-CH2 3.94Å; W471-W578 HydrophobicContact CZ2-CH2 4.47Å; W471-W578 HydrophobicContact CZ2-CZ2 4.1Å; W471-W578 AromaticContact NE1-CE2 3.9Å; W471-W578 AromaticContact NE1-CE3 3.84Å; W471-W578 AromaticContact NE1-CH2 2.84Å; W471-W578 AromaticContact NE1-CZ2 3.27Å; W471-W578 VanDerWaalsContact NE1-CZ2 3.27Å; W471-W578 AromaticContact NE1-CZ3 3.14Å; W471-H639 AromaticContact CH2-NE2 3.72Å
472	I	98.7	Very high	94.3	Very high	1 Å²	1	27.2 Å²	27.2	1%	0.005	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	119.1	179.4	-61.5	172.5	0	0	0	108.6	V383 N475 M543 T547 I562 V563 T564 R565 W578	V383-I472 WeakPolarHBondContact O-CA 3.43Å; I472-N475 HydrophobicContact CG2-CB 3.92Å; I472-N475 VanDerWaalsContact CG2-ND2 3.3Å; I472-N475 WeakPolarHBondContact CG2-ND2 3.47Å; I472-M543 HydrophobicContact CB-CE 4.32Å; I472-M543 HydrophobicContact CD1-CE 4.29Å; I472-M543 HydrophobicContact CD1-CG 4.18Å; I472-M543 HydrophobicContact CG1-CE 4.09Å; I472-M543 HydrophobicContact CG2-CE 3.42Å; I472-M543 VanDerWaalsContact CG2-CE 3.42Å; I472-M543 HydrophobicContact CG2-CG 4.22Å; I472-M543 HydrophobicContact CG2-SD 3.38Å; I472-M543 WeakPolarHBondContact CG2-SD 3.06Å; I472-T547 HydrophobicContact CD1-CG2 4.24Å; I472-I562 HydrophobicContact CD1-CG2 3.54Å; I472-I562 HydrophobicContact CG1-CG2 4.19Å; I472-V563 PolarHBondContact N-O 3.48Å; I472-T564 WeakPolarHBondContact O-CA 3.22Å; I472-R565 PolarHBondContact O-N 2.95Å; I472-W578 VanDerWaalsContact O-CH2 3.31Å; I472-W578 WeakPolarHBondContact O-CH2 3.49Å; I472-W578 WeakPolarHBondContact O-CZ3 3.47Å
473	A	98	Very high	92.4	Very high	6 Å²	6	27.5 Å²	27.5	5%	0.05	13%	0.134	C	C	.	.			trans	-123.1	173.2	174	0	0	0	0	0	110.9	I382 V383 D384 P385 N475 W578	I382-A473 HydrophobicContact CD1-CB 3.64Å; I382-A473 HydrophobicContact CG1-CB 4.15Å; V383-A473 PolarHBondContact O-N 3.18Å; D384-A473 WeakPolarHBondContact OD1-CB 3.48Å; P385-A473 WeakPolarHBondContact CD-O 3.47Å; A473-N475 PolarHBondContact O-N 3.36Å; A473-W578 HydrophobicContact CB-CH2 4.11Å
474	M	97.6	Very high	90.7	Very high	8 Å²	8	28.4 Å²	28.4	4%	0.039	15%	0.145	C	C	.	.	S	Bend	trans	58	23.4	176	-49.2	-55.5	-70.8	0	0	115.1	D219 D384 P385 S478 F480 R565	D219-M474 WeakPolarHBondContact OD2-CE 3.16Å; D384-M474 HydrophobicContact CB-CB 4.34Å; D384-M474 HydrophobicContact CB-CG 4.46Å; D384-M474 WeakPolarHBondContact OD2-CG 3.2Å; P385-M474 VanDerWaalsContact CG-O 3.25Å; P385-M474 WeakPolarHBondContact CG-O 3.33Å; M474-S478 WeakPolarHBondContact CA-OG 3.49Å; M474-S478 PolarHBondContact O-N 3.26Å; M474-S478 PolarHBondContact O-OG 3.03Å; M474-F480 HydrophobicContact CE-CE1 3.57Å; M474-F480 HydrophobicContact CE-CZ 4Å; M474-R565 PolarHBondContact SD-NH2 3.06Å
475	N	98.2	Very high	89.1	Confident	0 Å²	0	27.4 Å²	27.4	0%	0	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.9	22.3	-174.3	67.7	-32.2	0	0	0	114.1	P385 I472 A473 Y539 G540 M543 T564 S566	P385-N475 HydrophobicContact CG-CB 4.1Å; I472-N475 HydrophobicContact CG2-CB 3.92Å; I472-N475 VanDerWaalsContact CG2-ND2 3.3Å; I472-N475 WeakPolarHBondContact CG2-ND2 3.47Å; A473-N475 PolarHBondContact O-N 3.36Å; N475-Y539 HydrophobicContact CB-CD1 4.37Å; N475-Y539 HydrophobicContact CB-CE1 4.33Å; N475-Y539 WeakPolarHBondContact O-CD1 3.22Å; N475-G540 VanDerWaalsContact ND2-CA 3.29Å; N475-G540 WeakPolarHBondContact ND2-CA 3.44Å; N475-G540 WeakPolarHBondContact O-CA 3.43Å; N475-G540 PolarHBondContact O-N 2.83Å; N475-M543 HydrophobicContact CB-SD 3.73Å; N475-T564 PolarHBondContact ND2-OG1 3.02Å; N475-S566 VanDerWaalsContact C-CB 3.49Å; N475-S566 VanDerWaalsContact O-CB 3.22Å; N475-S566 WeakPolarHBondContact O-CB 3.45Å; N475-S566 PolarHBondContact O-OG 2.95Å; N475-S566 WeakPolarHBondContact OD1-CB 3.47Å; N475-S566 PolarHBondContact OD1-N 3Å
476	E	97.3	Very high	87.2	Confident	0 Å²	0	30.2 Å²	30.2	0%	0	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86	45.8	159.8	-54.2	74.3	-163.3	0	0	110.8	A217 Y230 S478 T520 H536 R565 S566	A217-E476 HydrophobicContact CB-CB 4.28Å; A217-E476 HydrophobicContact CB-CG 4.18Å; Y230-E476 VanDerWaalsContact CB-OE1 3.31Å; Y230-E476 WeakPolarHBondContact CB-OE1 3.45Å; Y230-E476 HydrophobicContact CD1-CG 4.26Å; Y230-E476 VanDerWaalsContact CD1-OE1 3.23Å; Y230-E476 WeakPolarHBondContact CD1-OE1 3.4Å; E476-S478 PolarHBondContact O-N 3.24Å; E476-S478 PolarHBondContact OE2-OG 2.94Å; E476-T520 PolarHBondContact O-OG1 3.46Å; E476-H536 PolarHBondContact O-CE1 3.12Å; E476-R565 WeakPolarHBondContact OE1-CB 3.28Å; E476-R565 WeakPolarHBondContact OE1-CG 3.32Å; E476-R565 IonicContact OE1-CZ 2.79Å; E476-R565 IonicContact OE1-NE 2.73Å; E476-R565 PolarHBondContact OE1-NE 2.75Å; E476-R565 VanDerWaalsContact OE1-NE 3.11Å; E476-R565 IonicContact OE2-CZ 3.89Å; E476-R565 IonicContact OE2-NE 3.65Å; E476-R565 PolarHBondContact OE2-NE 3.48Å; E476-R565 IonicContact OE2-NH2 3.99Å; E476-R565 PolarHBondContact OE2-NH2 2.87Å; E476-S566 WeakPolarHBondContact OE1-CA 3.39Å; E476-S566 WeakPolarHBondContact OE1-CB 3.36Å; E476-S566 PolarHBondContact OE1-N 3.02Å; E476-S566 VanDerWaalsContact OE1-N 3.11Å
477	P	95.6	Very high	85.1	Confident	0 Å²	0	30.8 Å²	30.8	0%	0	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-5.9	76.4	-131	20.5	-35.2	0	0	0	114.1	Y442 H479 T520 M521 Y539	Y442-P477 HydrophobicContact CD1-CB 4.15Å; Y442-P477 HydrophobicContact CE1-CB 4.25Å; P477-H479 PolarHBondContact O-N 3.18Å; P477-T520 PolarHBondContact O-OG1 2.91Å; P477-T520 VanDerWaalsContact O-OG1 3.1Å; P477-M521 HydrophobicContact CB-CE 3.31Å; P477-M521 HydrophobicContact CG-CE 3.66Å; P477-M521 HydrophobicContact CG-CG 4.44Å; P477-Y539 HydrophobicContact CB-CD1 3.97Å; P477-Y539 HydrophobicContact CB-CE1 4.03Å; P477-Y539 HydrophobicContact CB-CG 4.22Å; P477-Y539 HydrophobicContact CG-CD1 4.12Å; P477-Y539 HydrophobicContact CG-CG 4.01Å
478	S	94.8	Very high	83	Confident	0 Å²	0	30.9 Å²	30.9	0%	0	17%	0.169	C	C	.	.	B	Isolated β-bridge	trans	-63	130.1	-167.1	-49.2	0	0	0	0	111.8	Y442 M474 E476 R565	Y442-S478 PolarHBondContact OH-O 2.79Å; M474-S478 WeakPolarHBondContact CA-OG 3.49Å; M474-S478 PolarHBondContact O-N 3.26Å; M474-S478 PolarHBondContact O-OG 3.03Å; E476-S478 PolarHBondContact O-N 3.24Å; E476-S478 PolarHBondContact OE2-OG 2.94Å; S478-R565 PolarHBondContact OG-NH2 2.69Å
479	H	91.7	Very high	80.7	Confident	3 Å²	3	34 Å²	34	1%	0.014	19%	0.192	C	C	.	.			trans	-128.8	133.6	177.4	-175.8	32.4	0	0	0	108.6	I434 P477 N481 K519 T520	I434-H479 PolarHBondContact N-CE1 2.99Å; I434-H479 PolarHBondContact N-ND1 2.9Å; I434-H479 PolarHBondContact O-ND1 3.5Å; P477-H479 PolarHBondContact O-N 3.18Å; H479-N481 PolarHBondContact CD2-ND2 3.36Å; H479-N481 PolarHBondContact O-N 3.25Å; H479-N481 PolarHBondContact O-OD1 2.67Å; H479-K519 PolarHBondContact N-O 2.87Å; H479-K519 VanDerWaalsContact N-O 3.07Å; H479-K519 CarbonylContact O-C 3.56Å; H479-K519 VanDerWaalsContact O-C 3.26Å; H479-K519 WeakPolarHBondContact O-CA 3.4Å; H479-T520 WeakPolarHBondContact CB-O 3.49Å; H479-T520 PolarHBondContact CD2-O 3.42Å
480	F	88	Confident	78.5	Confident	59 Å²	59	37 Å²	37	26%	0.259	21%	0.206	S	C	.	.	S	Bend	trans	-78.5	55.5	-176.5	-66.2	-14.1	0	0	0	113.4	I434 A435 W436 M474	I434-F480 HydrophobicContact CG2-CB 4.41Å; I434-F480 HydrophobicContact CG2-CD2 4.46Å; I434-F480 PolarHBondContact O-N 3.05Å; A435-F480 HydrophobicContact CB-CE1 4.37Å; A435-F480 HydrophobicContact CB-CE2 4.37Å; A435-F480 HydrophobicContact CB-CZ 4.23Å; W436-F480 HydrophobicContact CD2-CE2 4.38Å; W436-F480 HydrophobicContact CD2-CZ 4.02Å; W436-F480 HydrophobicContact CE3-CE2 4.41Å; W436-F480 HydrophobicContact CE3-CZ 4.42Å; W436-F480 HydrophobicContact CG-CZ 4.21Å; M474-F480 HydrophobicContact CE-CE1 3.57Å; M474-F480 HydrophobicContact CE-CZ 4Å
481	N	80.3	Confident	76.3	Confident	0 Å²	0	37 Å²	37	0%	0	21%	0.207	C	C	.	.			trans	-115	80.2	174.7	63.8	-24.9	0	0	0	110.7	H479 A491 F517 K519 T520	H479-N481 PolarHBondContact CD2-ND2 3.36Å; H479-N481 PolarHBondContact O-N 3.25Å; H479-N481 PolarHBondContact O-OD1 2.67Å; N481-A491 HydrophobicContact CB-CB 3.48Å; N481-A491 VanDerWaalsContact CB-CB 3.48Å; N481-F517 WeakPolarHBondContact ND2-CD2 3.17Å; N481-F517 PolarHBondContact ND2-O 3.04Å; N481-F517 PolarHBondContact OD1-O 3.21Å; N481-K519 PolarHBondContact O-N 3.41Å; N481-K519 VanDerWaalsContact OD1-C 3.3Å; N481-K519 WeakPolarHBondContact OD1-CA 3.35Å; N481-K519 PolarHBondContact OD1-N 2.71Å; N481-T520 PolarHBondContact ND2-O 2.78Å; N481-T520 VanDerWaalsContact ND2-O 3.14Å; N481-T520 PolarHBondContact OD1-N 2.59Å; N481-T520 PolarHBondContact OD1-O 3.23Å
482	H	66.9	Low	74.4	Confident	71 Å²	71	38.6 Å²	38.6	33%	0.329	22%	0.222	S	C	.	.			trans	-98.9	167.1	173.8	55.7	-82.7	0	0	0	111.1	D484 N485 Y486 K519	H482-D484 PolarHBondContact O-N 2.85Å; H482-D484 VanDerWaalsContact O-N 3.09Å; H482-N485 PolarHBondContact O-N 3.14Å; H482-Y486 PolarHBondContact O-N 2.85Å; H482-K519 HydrophobicContact CB-CG 4.3Å
483	A	58.5	Low	73.3	Confident	38 Å²	38	44.3 Å²	44.3	31%	0.314	25%	0.246	S	C	.	.	G	3₁₀ helix	trans	-50.1	-38.8	-173.5	0	0	0	0	0	113.8	N485 V514	A483-N485 PolarHBondContact O-N 2.94Å; A483-V514 HydrophobicContact CB-CG2 3.95Å
484	D	59.1	Low	72.7	Confident	148 Å²	148	44.5 Å²	44.5	79%	0.791	25%	0.247	S	C	*	.	G	3₁₀ helix	trans	-76	-19.3	-178.2	-57.2	-42.1	0	0	0	114.3	H482	H482-D484 PolarHBondContact O-N 2.85Å; H482-D484 VanDerWaalsContact O-N 3.09Å
485	N	60.1	Low	72.2	Confident	62 Å²	62	45.9 Å²	45.9	33%	0.332	26%	0.26	S	S	.	.	G	3₁₀ helix	trans	-114.6	12.7	-176.7	-162.6	32.2	0	0	0	113.2	H482 A483 T487 S488	H482-N485 PolarHBondContact O-N 3.14Å; A483-N485 PolarHBondContact O-N 2.94Å; N485-T487 PolarHBondContact O-N 2.85Å; N485-T487 VanDerWaalsContact O-N 3.14Å; N485-S488 VanDerWaalsContact CG-OG 3.25Å; N485-S488 PolarHBondContact ND2-OG 2.93Å; N485-S488 VanDerWaalsContact ND2-OG 3.13Å; N485-S488 WeakPolarHBondContact O-CB 3.29Å; N485-S488 PolarHBondContact O-N 3.35Å; N485-S488 PolarHBondContact O-OG 2.81Å; N485-S488 WeakPolarHBondContact OD1-CB 3.25Å; N485-S488 PolarHBondContact OD1-OG 2.91Å; N485-S488 VanDerWaalsContact OD1-OG 3.11Å
486	Y	57.1	Low	71.6	Confident	59 Å²	59	53.1 Å²	53.1	23%	0.231	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-29	-178.5	-169.1	-91.2	0	0	0	113	H482 S488 A492 Y501 V514 F517	H482-Y486 PolarHBondContact O-N 2.85Å; Y486-S488 VanDerWaalsContact C-N 3.32Å; Y486-S488 PolarHBondContact O-N 2.97Å; Y486-A492 WeakPolarHBondContact O-CB 3.39Å; Y486-Y501 PolarHBondContact OH-OH 3.49Å; Y486-V514 HydrophobicContact CD2-CG1 4.01Å; Y486-V514 HydrophobicContact CE2-CG1 4.11Å; Y486-F517 HydrophobicContact CD2-CE2 4.4Å; Y486-F517 AromaticContact CE2-CE2 3.43Å; Y486-F517 HydrophobicContact CE2-CE2 3.43Å; Y486-F517 VanDerWaalsContact CE2-CE2 3.43Å; Y486-F517 AromaticContact CE2-CZ 3.43Å; Y486-F517 HydrophobicContact CE2-CZ 3.43Å; Y486-F517 VanDerWaalsContact CE2-CZ 3.43Å; Y486-F517 AromaticContact CZ-CZ 3.84Å; Y486-F517 WeakPolarHBondContact OH-CZ 3.29Å
487	T	53.8	Low	71.2	Confident	132 Å²	132	55.7 Å²	55.7	81%	0.81	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.4	-5.5	-179.8	58.4	0	0	0	0	114	N485	N485-T487 PolarHBondContact O-N 2.85Å; N485-T487 VanDerWaalsContact O-N 3.14Å
488	S	53.4	Low	71.1	Confident	31 Å²	31	59.6 Å²	59.6	22%	0.217	34%	0.337	C	S	.	.	S	Bend	trans	-70.6	136.9	173.1	66.5	0	0	0	0	110.9	N485 Y486 E490 A491 A492	N485-S488 VanDerWaalsContact CG-OG 3.25Å; N485-S488 PolarHBondContact ND2-OG 2.93Å; N485-S488 VanDerWaalsContact ND2-OG 3.13Å; N485-S488 WeakPolarHBondContact O-CB 3.29Å; N485-S488 PolarHBondContact O-N 3.35Å; N485-S488 PolarHBondContact O-OG 2.81Å; N485-S488 WeakPolarHBondContact OD1-CB 3.25Å; N485-S488 PolarHBondContact OD1-OG 2.91Å; N485-S488 VanDerWaalsContact OD1-OG 3.11Å; Y486-S488 VanDerWaalsContact C-N 3.32Å; Y486-S488 PolarHBondContact O-N 2.97Å; S488-E490 PolarHBondContact O-N 3.43Å; S488-A491 PolarHBondContact O-N 2.87Å; S488-A492 PolarHBondContact O-N 3.11Å
489	S	49	Very low	70.9	Confident	87 Å²	87	64.9 Å²	64.9	61%	0.608	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	-21.5	-165.1	39.4	0	0	0	0	116.5	K493	S489-K493 WeakPolarHBondContact O-CE 3.34Å
490	E	52.9	Low	70.9	Confident	61 Å²	61	64.8 Å²	64.8	29%	0.285	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98	-31	-178.1	-73.2	92.5	162.5	0	0	113.8	I434 Q439 S488 A492	I434-E490 HydrophobicContact CD1-CB 3.36Å; I434-E490 HydrophobicContact CD1-CG 3.93Å; I434-E490 HydrophobicContact CG1-CB 4.26Å; Q439-E490 PolarHBondContact NE2-OE1 3.13Å; S488-E490 PolarHBondContact O-N 3.43Å; E490-A492 VanDerWaalsContact C-N 3.33Å
491	A	53.1	Low	71	Confident	4 Å²	4	65.3 Å²	65.3	3%	0.033	36%	0.357	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-22.6	176.3	0	0	0	0	0	113	N481 S488 K493	N481-A491 HydrophobicContact CB-CB 3.48Å; N481-A491 VanDerWaalsContact CB-CB 3.48Å; S488-A491 PolarHBondContact O-N 2.87Å; A491-K493 PolarHBondContact O-N 2.87Å
492	A	58.7	Low	71.6	Confident	41 Å²	41	65.6 Å²	65.6	34%	0.339	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.9	16.7	-169.3	0	0	0	0	0	115.9	Y486 S488 E490	Y486-A492 WeakPolarHBondContact O-CB 3.39Å; S488-A492 PolarHBondContact O-N 3.11Å; E490-A492 VanDerWaalsContact C-N 3.33Å
493	K	74.8	Confident	72.8	Confident	120 Å²	120	67.7 Å²	67.7	52%	0.522	37%	0.367	S	S	.	.			trans	-93.2	-8.5	-168.5	-69.8	-174.7	-179.5	176.8	0	115.8	S489 A491	S489-K493 WeakPolarHBondContact O-CE 3.34Å; A491-K493 PolarHBondContact O-N 2.87Å
494	C	86	Confident	74.4	Confident	10 Å²	10	66 Å²	66	7%	0.068	35%	0.352	C	S	.	.	S	Bend	trans	-62.2	139.6	179.8	-53.1	0	0	0	0	110.8	N496 F517 C522 E524	C494-N496 PolarHBondContact O-N 3.18Å; C494-F517 HydrophobicContact CB-CD1 4.32Å; C494-F517 HydrophobicContact CB-CD2 4.01Å; C494-F517 HydrophobicContact CB-CE1 4.25Å; C494-F517 HydrophobicContact CB-CE2 3.89Å; C494-F517 HydrophobicContact CB-CG 4.19Å; C494-F517 HydrophobicContact CB-CZ 4.02Å; C494-F517 WeakPolarHBondContact SG-CD2 3.48Å; C494-C522 WeakPolarHBondContact CA-SG 3.38Å; C494-C522 HydrophobicContact CB-CB 3.6Å; C494-C522 WeakPolarHBondContact CB-SG 3.44Å; C494-C522 WeakPolarHBondContact SG-CA 2.99Å; C494-C522 WeakPolarHBondContact SG-CB 3.12Å; C494-C522 CovalentContact SG-SG 2.02Å; C494-C522 PolarHBondContact SG-SG 2.93Å; C494-E524 WeakPolarHBondContact CA-OE1 3.43Å
495	A	86.8	Confident	76	Confident	37 Å²	37	60 Å²	60	31%	0.306	32%	0.32	S	S	.	.			trans	-60.4	134.6	-179.6	0	0	0	0	0	110.9	D497 N500 E524	A495-D497 HydrophobicContact CB-CB 4.35Å; A495-D497 WeakPolarHBondContact CB-OD2 3.38Å; A495-D497 PolarHBondContact O-N 3.17Å; A495-N500 PolarHBondContact N-ND2 2.87Å; A495-N500 PolarHBondContact O-ND2 3.27Å; A495-E524 PolarHBondContact N-OE1 3.07Å
496	N	86.3	Confident	77.6	Confident	152 Å²	152	57 Å²	57	81%	0.813	30%	0.304	S	S	*	.	S	Bend	trans	-77.7	72.6	170.3	-173.6	18.9	0	0	0	109.9	C494	C494-N496 PolarHBondContact O-N 3.18Å
497	D	89.2	Confident	79.3	Confident	54 Å²	54	55.7 Å²	55.7	29%	0.289	30%	0.299	S	S	.	.	S	Bend	trans	-134	-176.9	-176.6	70.6	14.3	0	0	0	112	A495 W499 N500 Y501	A495-D497 HydrophobicContact CB-CB 4.35Å; A495-D497 WeakPolarHBondContact CB-OD2 3.38Å; A495-D497 PolarHBondContact O-N 3.17Å; D497-W499 PolarHBondContact O-N 3.38Å; D497-W499 WeakPolarHBondContact OD1-CA 3.16Å; D497-W499 WeakPolarHBondContact OD1-CB 3.28Å; D497-W499 PolarHBondContact OD1-N 3.08Å; D497-N500 PolarHBondContact OD1-N 3.18Å; D497-Y501 WeakPolarHBondContact O-CB 3.42Å; D497-Y501 PolarHBondContact O-N 2.88Å
498	T	91.8	Very high	81	Confident	83 Å²	83	49.7 Å²	49.7	51%	0.509	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-14.3	-177.8	58.1	0	0	0	0	113.5	Q180 P502	Q180-T498 PolarHBondContact NE2-O 3.26Å; Q180-T498 PolarHBondContact OE1-O 2.93Å; T498-P502 WeakPolarHBondContact O-CA 3.3Å; T498-P502 WeakPolarHBondContact O-CB 3.46Å; T498-P502 VanDerWaalsContact O-N 3.12Å
499	W	91.3	Very high	82.5	Confident	111 Å²	111	48.3 Å²	48.3	42%	0.42	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.9	-47.9	176.5	-63.8	109.7	0	0	0	110.6	D497 M523 Y533	D497-W499 PolarHBondContact O-N 3.38Å; D497-W499 WeakPolarHBondContact OD1-CA 3.16Å; D497-W499 WeakPolarHBondContact OD1-CB 3.28Å; D497-W499 PolarHBondContact OD1-N 3.08Å; W499-M523 HydrophobicContact CB-CB 3.82Å; W499-M523 WeakPolarHBondContact O-CB 3.49Å; W499-M523 VanDerWaalsContact O-CG 3.3Å; W499-M523 WeakPolarHBondContact O-CG 2.97Å; W499-Y533 HydrophobicContact CB-CD2 4.5Å; W499-Y533 AromaticContact CE3-CD1 3.86Å; W499-Y533 HydrophobicContact CE3-CD1 3.86Å; W499-Y533 AromaticContact CE3-CD2 3.76Å; W499-Y533 HydrophobicContact CE3-CD2 3.76Å; W499-Y533 HydrophobicContact CE3-CE1 4.27Å; W499-Y533 HydrophobicContact CE3-CE2 4.16Å; W499-Y533 AromaticContact CE3-CG 3.56Å; W499-Y533 HydrophobicContact CE3-CG 3.56Å; W499-Y533 AromaticContact CZ3-CD1 3.75Å; W499-Y533 HydrophobicContact CZ3-CD1 3.75Å; W499-Y533 HydrophobicContact CZ3-CD2 4.49Å; W499-Y533 HydrophobicContact CZ3-CE1 4.17Å; W499-Y533 AromaticContact CZ3-CG 3.91Å; W499-Y533 HydrophobicContact CZ3-CG 3.91Å; W499-Y533 WeakPolarHBondContact O-CD2 3.2Å; W499-Y533 WeakPolarHBondContact O-CE2 3.1Å
500	N	90.9	Very high	84	Confident	0 Å²	0	46.8 Å²	46.8	0%	0	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-32.3	178.3	-69.5	-58.1	0	0	0	112.8	A495 D497 P502 L516 F517 M523 E524	A495-N500 PolarHBondContact N-ND2 2.87Å; A495-N500 PolarHBondContact O-ND2 3.27Å; D497-N500 PolarHBondContact OD1-N 3.18Å; N500-P502 VanDerWaalsContact C-CD 3.44Å; N500-P502 WeakPolarHBondContact O-CD 2.95Å; N500-L516 PolarHBondContact O-N 2.91Å; N500-F517 HydrophobicContact CB-CD1 3.66Å; N500-F517 HydrophobicContact CB-CE1 3.74Å; N500-F517 WeakPolarHBondContact OD1-CD1 3.3Å; N500-M523 WeakPolarHBondContact OD1-CB 3.46Å; N500-M523 WeakPolarHBondContact OD1-CG 3.46Å; N500-M523 PolarHBondContact OD1-N 3.43Å; N500-E524 PolarHBondContact ND2-OE2 2.81Å; N500-E524 PolarHBondContact OD1-OE2 2.8Å
501	Y	90.2	Very high	85.4	Confident	71 Å²	71	46.2 Å²	46.2	28%	0.278	23%	0.234	S	C	.	.	S	Bend	trans	-126.6	65.5	-179.2	-56.6	-80.5	0	0	0	111.5	Y486 D497 F517	Y486-Y501 PolarHBondContact OH-OH 3.49Å; D497-Y501 WeakPolarHBondContact O-CB 3.42Å; D497-Y501 PolarHBondContact O-N 2.88Å; Y501-F517 HydrophobicContact CE1-CE1 4.12Å; Y501-F517 AromaticContact CE2-CE1 3.91Å; Y501-F517 HydrophobicContact CE2-CE1 3.91Å; Y501-F517 HydrophobicContact CE2-CZ 4.37Å; Y501-F517 AromaticContact CZ-CE1 3.58Å; Y501-F517 AromaticContact CZ-CZ 3.9Å; Y501-F517 WeakPolarHBondContact OH-CE1 3.45Å; Y501-F517 VanDerWaalsContact OH-CZ 3.31Å; Y501-F517 WeakPolarHBondContact OH-CZ 3.48Å
502	P	93.2	Very high	86.7	Confident	6 Å²	6	53 Å²	53	4%	0.039	27%	0.265	C	S	.	.			trans	-62.5	151.8	173.1	22.4	-24.8	0	0	0	109.8	Q180 L272 T498 N500 Y504 I505 L516 Y533	Q180-P502 HydrophobicContact CB-CB 4.39Å; L272-P502 HydrophobicContact CD1-CG 3.75Å; T498-P502 WeakPolarHBondContact O-CA 3.3Å; T498-P502 WeakPolarHBondContact O-CB 3.46Å; T498-P502 VanDerWaalsContact O-N 3.12Å; N500-P502 VanDerWaalsContact C-CD 3.44Å; N500-P502 WeakPolarHBondContact O-CD 2.95Å; P502-Y504 WeakPolarHBondContact CB-O 3.32Å; P502-Y504 WeakPolarHBondContact CG-O 3.47Å; P502-Y504 PolarHBondContact O-N 3.45Å; P502-Y504 VanDerWaalsContact O-N 3.08Å; P502-I505 HydrophobicContact CG-CG1 4.1Å; P502-L516 HydrophobicContact CG-CD1 3.67Å; P502-L516 HydrophobicContact CG-CG 4.32Å; P502-Y533 HydrophobicContact CG-CE2 4.27Å
503	K	91.9	Very high	87.7	Confident	115 Å²	115	55.3 Å²	55.3	50%	0.5	28%	0.275	S	S	.	.	S	Bend	trans	-53.9	-34.2	-178.1	176.8	-177.1	172.9	-177.2	0	112.3	D33 Y90	D33-K503 HydrophobicContact CB-CG 4.45Å; D33-K503 VanDerWaalsContact CB-O 3.24Å; D33-K503 WeakPolarHBondContact CB-O 3.04Å; D33-K503 WeakPolarHBondContact OD2-CE 3.14Å; Y90-K503 HydrophobicContact CE1-CD 4.24Å; Y90-K503 HydrophobicContact CE2-CD 4.17Å; Y90-K503 HydrophobicContact CE2-CG 4.37Å; Y90-K503 PolarHBondContact O-NZ 2.76Å; Y90-K503 VanDerWaalsContact OH-CB 3.29Å; Y90-K503 WeakPolarHBondContact OH-CB 3.44Å; Y90-K503 WeakPolarHBondContact OH-CG 3.16Å
504	Y	93	Very high	88	Confident	1 Å²	1	49.6 Å²	49.6	0%	0.004	25%	0.25	C	S	.	.	S	Bend	trans	-115.4	138.2	171.4	166.5	-108.3	0	0	0	108.5	P32 Y90 F181 E258 R270 L272 P502 P506	P32-Y504 HydrophobicContact CB-CD2 4.04Å; P32-Y504 HydrophobicContact CB-CE2 3.87Å; P32-Y504 HydrophobicContact CG-CD2 4.35Å; Y90-Y504 WeakPolarHBondContact OH-CB 3.28Å; Y90-Y504 PolarHBondContact OH-N 2.75Å; F181-Y504 AromaticContact CD2-CD1 3.64Å; F181-Y504 HydrophobicContact CD2-CD1 3.64Å; F181-Y504 HydrophobicContact CD2-CE1 4.32Å; F181-Y504 AromaticContact CD2-CG 3.94Å; F181-Y504 HydrophobicContact CD2-CG 3.94Å; F181-Y504 AromaticContact CE2-CD1 3.94Å; F181-Y504 HydrophobicContact CE2-CD1 3.94Å; F181-Y504 HydrophobicContact CE2-CE1 4.31Å; F181-Y504 HydrophobicContact CE2-CG 4.09Å; E258-Y504 WeakPolarHBondContact CG-OH 3.1Å; E258-Y504 PolarHBondContact OE1-OH 2.93Å; R270-Y504 HydrophobicContact CB-CE1 4.03Å; R270-Y504 WeakPolarHBondContact CB-OH 3.43Å; R270-Y504 WeakPolarHBondContact CD-OH 3.31Å; L272-Y504 HydrophobicContact CD2-CD1 3.41Å; L272-Y504 VanDerWaalsContact CD2-CD1 3.41Å; L272-Y504 HydrophobicContact CD2-CE1 3.98Å; L272-Y504 HydrophobicContact CD2-CG 4.37Å; L272-Y504 WeakPolarHBondContact CD2-O 3.3Å; P502-Y504 WeakPolarHBondContact CB-O 3.32Å; P502-Y504 WeakPolarHBondContact CG-O 3.47Å; P502-Y504 PolarHBondContact O-N 3.45Å; P502-Y504 VanDerWaalsContact O-N 3.08Å; Y504-P506 HydrophobicContact CE1-CG 4.2Å
505	I	92.9	Very high	88.1	Confident	22 Å²	22	49.3 Å²	49.3	11%	0.113	25%	0.249	C	C	.	.			trans	-128.2	126.1	172.9	-50.9	-175.1	0	0	0	106.1	P502 V508 Y511 L516	P502-I505 HydrophobicContact CG-CG1 4.1Å; I505-V508 HydrophobicContact CG2-CG2 4.42Å; I505-Y511 HydrophobicContact CB-CD2 4.48Å; I505-L516 HydrophobicContact CG2-CD2 3.67Å; I505-L516 HydrophobicContact CG2-CG 4.13Å
506	P	94.2	Very high	88.3	Confident	0 Å²	0	47.7 Å²	47.7	0%	0	24%	0.235	C	C	.	.			trans	-51.1	150.9	168	-24.2	33.4	0	0	0	110	A256 M257 E258 L272 Y504 V508	A256-P506 HydrophobicContact CB-CG 4.11Å; M257-P506 WeakPolarHBondContact O-CB 3.28Å; E258-P506 HydrophobicContact CB-CB 4.08Å; E258-P506 HydrophobicContact CG-CB 4.39Å; L272-P506 HydrophobicContact CD1-CG 4.42Å; L272-P506 HydrophobicContact CG-CG 4.11Å; Y504-P506 HydrophobicContact CE1-CG 4.2Å; P506-V508 HydrophobicContact CB-CG1 4.46Å; P506-V508 PolarHBondContact O-N 2.01Å
507	K	91	Very high	88.4	Confident	31 Å²	31	40.4 Å²	40.4	14%	0.135	20%	0.196	C	C	.	.	S	Bend	trans	-75.6	46.2	-172	-57.7	-65.2	172.7	172.8	0	114.2	D35 R212 P214 E258 Y511	D35-K507 WeakPolarHBondContact OD2-CE 3.33Å; D35-K507 IonicContact OD2-NZ 2.68Å; D35-K507 PolarHBondContact OD2-NZ 3.27Å; R212-K507 VanDerWaalsContact NH1-CE 3.26Å; P214-K507 WeakPolarHBondContact CG-O 3.44Å; E258-K507 WeakPolarHBondContact OE2-CG 3.31Å; E258-K507 PolarHBondContact OE2-N 2.98Å; K507-Y511 HydrophobicContact CB-CD1 4.39Å; K507-Y511 HydrophobicContact CB-CE1 4.29Å; K507-Y511 HydrophobicContact CD-CD1 4.01Å; K507-Y511 HydrophobicContact CD-CD2 4.15Å; K507-Y511 HydrophobicContact CD-CE1 3.41Å; K507-Y511 VanDerWaalsContact CD-CE1 3.41Å; K507-Y511 HydrophobicContact CD-CE2 3.59Å; K507-Y511 HydrophobicContact CD-CG 4.35Å; K507-Y511 WeakPolarHBondContact CD-OH 3.46Å; K507-Y511 HydrophobicContact CG-CE1 4.45Å; K507-Y511 PolarHBondContact NZ-OH 3.35Å
508	V	89.6	Confident	88.3	Confident	6 Å²	6	38 Å²	38	4%	0.036	18%	0.184	C	C	.	.			trans	-60	159.4	172.2	-61.2	0	0	0	0	110.7	P214 W216 N228 I505 P506 D510 Y511	P214-V508 HydrophobicContact CB-CG1 3.89Å; W216-V508 HydrophobicContact CB-CG1 3.58Å; W216-V508 HydrophobicContact CG-CG1 4.33Å; N228-V508 WeakPolarHBondContact OD1-CA 3.16Å; N228-V508 WeakPolarHBondContact OD1-CB 3.1Å; I505-V508 HydrophobicContact CG2-CG2 4.42Å; P506-V508 HydrophobicContact CB-CG1 4.46Å; P506-V508 PolarHBondContact O-N 2.01Å; V508-D510 PolarHBondContact O-N 3.21Å; V508-Y511 WeakPolarHBondContact O-CB 3.13Å; V508-Y511 VanDerWaalsContact O-CD1 3.29Å; V508-Y511 WeakPolarHBondContact O-CD1 3.18Å; V508-Y511 PolarHBondContact O-N 3.08Å
509	A	85.3	Confident	88.3	Confident	2 Å²	2	36 Å²	36	2%	0.017	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.4	136.1	175.2	0	0	0	0	0	111.7	Y227 N228 Y511	Y227-A509 HydrophobicContact CD1-CB 4.24Å; Y227-A509 HydrophobicContact CD2-CB 3.75Å; Y227-A509 HydrophobicContact CE2-CB 4.25Å; Y227-A509 HydrophobicContact CG-CB 3.76Å; N228-A509 PolarHBondContact OD1-N 2.83Å; A509-Y511 PolarHBondContact O-N 3.47Å
510	D	82	Confident	88.3	Confident	55 Å²	55	30.8 Å²	30.8	29%	0.294	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.7	19	179.1	-50.6	-37	0	0	0	116	R218 V508 E512 T513 V514	R218-D510 IonicContact CZ-OD2 3.61Å; R218-D510 IonicContact NH2-OD2 3.41Å; R218-D510 PolarHBondContact NH2-OD2 3.04Å; V508-D510 PolarHBondContact O-N 3.21Å; D510-E512 PolarHBondContact O-N 3.38Å; D510-E512 VanDerWaalsContact O-N 3.08Å; D510-T513 PolarHBondContact O-N 2.82Å; D510-T513 PolarHBondContact O-OG1 2.04Å; D510-V514 HydrophobicContact CB-CG2 4.3Å; D510-V514 PolarHBondContact O-N 2.83Å
511	Y	81.9	Confident	88.4	Confident	49 Å²	49	30.8 Å²	30.8	19%	0.192	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55	-33	-175.1	76.2	-86.1	0	0	0	113.9	I505 K507 V508 A509 G515	I505-Y511 HydrophobicContact CB-CD2 4.48Å; K507-Y511 HydrophobicContact CB-CD1 4.39Å; K507-Y511 HydrophobicContact CB-CE1 4.29Å; K507-Y511 HydrophobicContact CD-CD1 4.01Å; K507-Y511 HydrophobicContact CD-CD2 4.15Å; K507-Y511 HydrophobicContact CD-CE1 3.41Å; K507-Y511 VanDerWaalsContact CD-CE1 3.41Å; K507-Y511 HydrophobicContact CD-CE2 3.59Å; K507-Y511 HydrophobicContact CD-CG 4.35Å; K507-Y511 WeakPolarHBondContact CD-OH 3.46Å; K507-Y511 HydrophobicContact CG-CE1 4.45Å; K507-Y511 PolarHBondContact NZ-OH 3.35Å; V508-Y511 WeakPolarHBondContact O-CB 3.13Å; V508-Y511 VanDerWaalsContact O-CD1 3.29Å; V508-Y511 WeakPolarHBondContact O-CD1 3.18Å; V508-Y511 PolarHBondContact O-N 3.08Å; A509-Y511 PolarHBondContact O-N 3.47Å; Y511-G515 PolarHBondContact O-N 3.37Å
512	E	80.1	Confident	88.5	Confident	146 Å²	146	27.7 Å²	27.7	68%	0.682	14%	0.138	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.5	-29.5	-179.5	-61.4	-172.6	161.8	0	0	113.4	D510	D510-E512 PolarHBondContact O-N 3.38Å; D510-E512 VanDerWaalsContact O-N 3.08Å
513	T	80.3	Confident	88.5	Confident	90 Å²	90	27.4 Å²	27.4	55%	0.552	14%	0.136	S	C	*	.	T	Hydrogen-bonded Turn	trans	-99.7	-36.9	-170.1	53.8	0	0	0	0	112.5	D510	D510-T513 PolarHBondContact O-N 2.82Å; D510-T513 PolarHBondContact O-OG1 2.04Å
514	V	81	Confident	88.6	Confident	1 Å²	1	23.1 Å²	23.1	1%	0.006	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.6	-22.2	-173.6	-169.9	0	0	0	0	113	A483 Y486 D510 F517 G518	A483-V514 HydrophobicContact CB-CG2 3.95Å; Y486-V514 HydrophobicContact CD2-CG1 4.01Å; Y486-V514 HydrophobicContact CE2-CG1 4.11Å; D510-V514 HydrophobicContact CB-CG2 4.3Å; D510-V514 PolarHBondContact O-N 2.83Å; V514-F517 HydrophobicContact CG1-CD2 4.28Å; V514-F517 HydrophobicContact CG1-CE2 4.06Å; V514-F517 HydrophobicContact CG1-CZ 4.3Å; V514-F517 WeakPolarHBondContact O-CD1 3.12Å; V514-F517 WeakPolarHBondContact O-CE1 3.43Å; V514-F517 VanDerWaalsContact O-CZ 3.25Å; V514-F517 WeakPolarHBondContact O-CZ 3.14Å; V514-G518 VanDerWaalsContact CG1-CA 3.42Å
515	G	87.1	Confident	88.7	Confident	4 Å²	4	23 Å²	23	4%	0.041	12%	0.117	C	C	.	.			trans	77.1	-156.7	-171.9	0	0	0	0	0	112.5	Y511 F517	Y511-G515 PolarHBondContact O-N 3.37Å; G515-F517 VanDerWaalsContact C-N 3.32Å; G515-F517 PolarHBondContact O-N 2.96Å
516	L	90.4	Very high	88.9	Confident	2 Å²	2	24.6 Å²	24.6	1%	0.01	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-18.5	-170.5	-74.8	176.6	0	0	0	115.6	W216 A256 L272 N500 P502 I505 M523 Y533	W216-L516 PolarHBondContact NE1-O 3.36Å; A256-L516 HydrophobicContact CB-CD2 3.68Å; L272-L516 HydrophobicContact CD1-CD1 3.56Å; L272-L516 HydrophobicContact CD1-CD2 4.02Å; L272-L516 HydrophobicContact CD1-CG 4.3Å; N500-L516 PolarHBondContact O-N 2.91Å; P502-L516 HydrophobicContact CG-CD1 3.67Å; P502-L516 HydrophobicContact CG-CG 4.32Å; I505-L516 HydrophobicContact CG2-CD2 3.67Å; I505-L516 HydrophobicContact CG2-CG 4.13Å; L516-M523 HydrophobicContact CB-CE 4.26Å; L516-M523 HydrophobicContact CB-CG 3.77Å; L516-M523 HydrophobicContact CB-SD 3.83Å; L516-M523 HydrophobicContact CD1-CG 4.21Å; L516-M523 HydrophobicContact CD1-SD 4.28Å; L516-Y533 HydrophobicContact CD1-CD2 3.99Å; L516-Y533 HydrophobicContact CD1-CE2 3.5Å
517	F	89.2	Confident	89	Confident	0 Å²	0	24.7 Å²	24.7	0%	0	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.5	9.1	-174.2	64.1	-84	0	0	0	112.9	N481 Y486 C494 N500 Y501 V514 G515 K519 T520 M523	N481-F517 WeakPolarHBondContact ND2-CD2 3.17Å; N481-F517 PolarHBondContact ND2-O 3.04Å; N481-F517 PolarHBondContact OD1-O 3.21Å; Y486-F517 HydrophobicContact CD2-CE2 4.4Å; Y486-F517 AromaticContact CE2-CE2 3.43Å; Y486-F517 HydrophobicContact CE2-CE2 3.43Å; Y486-F517 VanDerWaalsContact CE2-CE2 3.43Å; Y486-F517 AromaticContact CE2-CZ 3.43Å; Y486-F517 HydrophobicContact CE2-CZ 3.43Å; Y486-F517 VanDerWaalsContact CE2-CZ 3.43Å; Y486-F517 AromaticContact CZ-CZ 3.84Å; Y486-F517 WeakPolarHBondContact OH-CZ 3.29Å; C494-F517 HydrophobicContact CB-CD1 4.32Å; C494-F517 HydrophobicContact CB-CD2 4.01Å; C494-F517 HydrophobicContact CB-CE1 4.25Å; C494-F517 HydrophobicContact CB-CE2 3.89Å; C494-F517 HydrophobicContact CB-CG 4.19Å; C494-F517 HydrophobicContact CB-CZ 4.02Å; C494-F517 WeakPolarHBondContact SG-CD2 3.48Å; N500-F517 HydrophobicContact CB-CD1 3.66Å; N500-F517 HydrophobicContact CB-CE1 3.74Å; N500-F517 WeakPolarHBondContact OD1-CD1 3.3Å; Y501-F517 HydrophobicContact CE1-CE1 4.12Å; Y501-F517 AromaticContact CE2-CE1 3.91Å; Y501-F517 HydrophobicContact CE2-CE1 3.91Å; Y501-F517 HydrophobicContact CE2-CZ 4.37Å; Y501-F517 AromaticContact CZ-CE1 3.58Å; Y501-F517 AromaticContact CZ-CZ 3.9Å; Y501-F517 WeakPolarHBondContact OH-CE1 3.45Å; Y501-F517 VanDerWaalsContact OH-CZ 3.31Å; Y501-F517 WeakPolarHBondContact OH-CZ 3.48Å; V514-F517 HydrophobicContact CG1-CD2 4.28Å; V514-F517 HydrophobicContact CG1-CE2 4.06Å; V514-F517 HydrophobicContact CG1-CZ 4.3Å; V514-F517 WeakPolarHBondContact O-CD1 3.12Å; V514-F517 WeakPolarHBondContact O-CE1 3.43Å; V514-F517 VanDerWaalsContact O-CZ 3.25Å; V514-F517 WeakPolarHBondContact O-CZ 3.14Å; G515-F517 VanDerWaalsContact C-N 3.32Å; G515-F517 PolarHBondContact O-N 2.96Å; F517-K519 PolarHBondContact O-N 3.28Å; F517-T520 CarbonylContact O-C 3.51Å; F517-T520 PolarHBondContact O-N 3.02Å; F517-T520 VanDerWaalsContact O-N 3.07Å; F517-M523 HydrophobicContact CB-CE 4.06Å
518	G	88	Confident	89.2	Confident	4 Å²	4	26.4 Å²	26.4	4%	0.041	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	125.5	175.1	0	0	0	0	0	111.9	R218 V514 T520	R218-G518 PolarHBondContact NH1-O 3.42Å; V514-G518 VanDerWaalsContact CG1-CA 3.42Å; G518-T520 PolarHBondContact O-N 2.84Å
519	K	90.3	Very high	89.2	Confident	39 Å²	39	27.5 Å²	27.5	17%	0.17	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.3	22.4	-173.6	-61.3	-170.4	-178.6	170.4	0	115.4	R218 D219 E220 H479 N481 H482 F517	R218-K519 HydrophobicContact CG-CB 4.4Å; D219-K519 HydrophobicContact CB-CB 4.45Å; D219-K519 HydrophobicContact CB-CD 4.43Å; D219-K519 WeakPolarHBondContact O-CD 3.29Å; D219-K519 PolarHBondContact O-NZ 3.22Å; E220-K519 VanDerWaalsContact CD-NZ 3.31Å; E220-K519 IonicContact OE1-NZ 2.99Å; E220-K519 PolarHBondContact OE1-NZ 3.2Å; E220-K519 IonicContact OE2-NZ 2.75Å; E220-K519 PolarHBondContact OE2-NZ 2.89Å; H479-K519 PolarHBondContact N-O 2.87Å; H479-K519 VanDerWaalsContact N-O 3.07Å; H479-K519 CarbonylContact O-C 3.56Å; H479-K519 VanDerWaalsContact O-C 3.26Å; H479-K519 WeakPolarHBondContact O-CA 3.4Å; N481-K519 PolarHBondContact O-N 3.41Å; N481-K519 VanDerWaalsContact OD1-C 3.3Å; N481-K519 WeakPolarHBondContact OD1-CA 3.35Å; N481-K519 PolarHBondContact OD1-N 2.71Å; H482-K519 HydrophobicContact CB-CG 4.3Å; F517-K519 PolarHBondContact O-N 3.28Å
520	T	92.9	Very high	89.5	Confident	2 Å²	2	28.2 Å²	28.2	1%	0.012	16%	0.161	C	C	.	.	B	Isolated β-bridge	trans	-151.1	179.7	179.2	-165.9	0	0	0	0	112.7	E476 P477 H479 N481 F517 G518 M523 H536	E476-T520 PolarHBondContact O-OG1 3.46Å; P477-T520 PolarHBondContact O-OG1 2.91Å; P477-T520 VanDerWaalsContact O-OG1 3.1Å; H479-T520 WeakPolarHBondContact CB-O 3.49Å; H479-T520 PolarHBondContact CD2-O 3.42Å; N481-T520 PolarHBondContact ND2-O 2.78Å; N481-T520 VanDerWaalsContact ND2-O 3.14Å; N481-T520 PolarHBondContact OD1-N 2.59Å; N481-T520 PolarHBondContact OD1-O 3.23Å; F517-T520 CarbonylContact O-C 3.51Å; F517-T520 PolarHBondContact O-N 3.02Å; F517-T520 VanDerWaalsContact O-N 3.07Å; G518-T520 PolarHBondContact O-N 2.84Å; T520-M523 HydrophobicContact CG2-CE 4.16Å; T520-H536 PolarHBondContact OG1-CE1 3.24Å; T520-H536 PolarHBondContact OG1-ND1 3.26Å
521	M	91.5	Very high	90.1	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	15%	0.153	C	C	.	.			trans	-69.5	159.8	178.2	71.1	176.1	72.5	0	0	112.3	V421 F431 Y442 P477 M523 A525 F527 N532	V421-M521 HydrophobicContact CG1-SD 3.95Å; V421-M521 HydrophobicContact CG2-CE 4.44Å; F431-M521 HydrophobicContact CD1-CB 3.73Å; F431-M521 HydrophobicContact CD2-CB 4.49Å; F431-M521 HydrophobicContact CE1-CB 3.32Å; F431-M521 HydrophobicContact CE2-CB 4.17Å; F431-M521 HydrophobicContact CG-CB 4.3Å; F431-M521 HydrophobicContact CZ-CB 3.59Å; Y442-M521 HydrophobicContact CD2-CE 4.25Å; Y442-M521 HydrophobicContact CG-CE 4.1Å; P477-M521 HydrophobicContact CB-CE 3.31Å; P477-M521 HydrophobicContact CG-CE 3.66Å; P477-M521 HydrophobicContact CG-CG 4.44Å; M521-M523 WeakPolarHBondContact O-CE 2.98Å; M521-A525 HydrophobicContact CB-CB 4.43Å; M521-A525 HydrophobicContact CG-CB 4.05Å; M521-A525 HydrophobicContact SD-CB 3.63Å; M521-F527 HydrophobicContact CE-CE1 4.45Å; M521-F527 HydrophobicContact CE-CZ 3.72Å; M521-F527 HydrophobicContact SD-CE2 3.82Å; M521-F527 HydrophobicContact SD-CZ 3.6Å; M521-F527 VanDerWaalsContact SD-CZ 3.6Å; M521-N532 HydrophobicContact CG-CB 4.27Å; M521-N532 VanDerWaalsContact CG-CG 3.42Å; M521-N532 WeakPolarHBondContact CG-ND2 3.05Å; M521-N532 PolarHBondContact O-ND2 2.91Å; M521-N532 HydrophobicContact SD-CB 4.15Å
522	C	92.7	Very high	90.8	Very high	7 Å²	7	24.2 Å²	24.2	5%	0.047	14%	0.144	C	C	.	.			trans	-62.5	153.2	179.3	-50.1	0	0	0	0	112.2	F431 C494 E524 A525 N532	F431-C522 HydrophobicContact CE2-CB 4.19Å; F431-C522 VanDerWaalsContact CE2-SG 3.56Å; C494-C522 WeakPolarHBondContact CA-SG 3.38Å; C494-C522 HydrophobicContact CB-CB 3.6Å; C494-C522 WeakPolarHBondContact CB-SG 3.44Å; C494-C522 WeakPolarHBondContact SG-CA 2.99Å; C494-C522 WeakPolarHBondContact SG-CB 3.12Å; C494-C522 CovalentContact SG-SG 2.02Å; C494-C522 PolarHBondContact SG-SG 2.93Å; C522-E524 VanDerWaalsContact C-N 3.29Å; C522-E524 VanDerWaalsContact CB-CD 3.44Å; C522-E524 HydrophobicContact CB-CG 4.38Å; C522-E524 WeakPolarHBondContact CB-OE2 3.41Å; C522-E524 PolarHBondContact O-N 3.47Å; C522-A525 WeakPolarHBondContact O-CB 3.28Å; C522-A525 PolarHBondContact O-N 3.24Å; C522-A525 VanDerWaalsContact O-N 3.12Å; C522-N532 WeakPolarHBondContact O-CB 3.25Å; C522-N532 PolarHBondContact O-ND2 2.85Å; C522-N532 VanDerWaalsContact O-ND2 3.09Å
523	M	94.3	Very high	91.6	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72	-24.5	-175.8	-68.5	-56.7	106	0	0	113.5	W216 W499 N500 L516 F517 T520 M521 A525 N532 Y533	W216-M523 HydrophobicContact CH2-SD 4.22Å; W216-M523 HydrophobicContact CZ2-CE 3.87Å; W216-M523 HydrophobicContact CZ2-SD 3.7Å; W499-M523 HydrophobicContact CB-CB 3.82Å; W499-M523 WeakPolarHBondContact O-CB 3.49Å; W499-M523 VanDerWaalsContact O-CG 3.3Å; W499-M523 WeakPolarHBondContact O-CG 2.97Å; N500-M523 WeakPolarHBondContact OD1-CB 3.46Å; N500-M523 WeakPolarHBondContact OD1-CG 3.46Å; N500-M523 PolarHBondContact OD1-N 3.43Å; L516-M523 HydrophobicContact CB-CE 4.26Å; L516-M523 HydrophobicContact CB-CG 3.77Å; L516-M523 HydrophobicContact CB-SD 3.83Å; L516-M523 HydrophobicContact CD1-CG 4.21Å; L516-M523 HydrophobicContact CD1-SD 4.28Å; F517-M523 HydrophobicContact CB-CE 4.06Å; T520-M523 HydrophobicContact CG2-CE 4.16Å; M521-M523 WeakPolarHBondContact O-CE 2.98Å; M523-A525 VanDerWaalsContact C-N 3.28Å; M523-N532 WeakPolarHBondContact CE-ND2 3Å; M523-Y533 HydrophobicContact CB-CD2 3.93Å; M523-Y533 HydrophobicContact CG-CD2 3.99Å; M523-Y533 PolarHBondContact O-N 3.44Å; M523-Y533 HydrophobicContact SD-CD2 4.12Å
524	E	93.3	Very high	92.4	Very high	24 Å²	24	14.5 Å²	14.5	11%	0.112	9%	0.093	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-14.3	171.4	70.7	-86.2	-149.5	0	0	113.3	K424 P425 C494 A495 N500 C522 Q526	K424-E524 WeakPolarHBondContact CA-O 3.34Å; K424-E524 HydrophobicContact CB-CB 4.38Å; K424-E524 HydrophobicContact CB-CG 4Å; P425-E524 WeakPolarHBondContact CD-O 3.34Å; C494-E524 WeakPolarHBondContact CA-OE1 3.43Å; A495-E524 PolarHBondContact N-OE1 3.07Å; N500-E524 PolarHBondContact ND2-OE2 2.81Å; N500-E524 PolarHBondContact OD1-OE2 2.8Å; C522-E524 VanDerWaalsContact C-N 3.29Å; C522-E524 VanDerWaalsContact CB-CD 3.44Å; C522-E524 HydrophobicContact CB-CG 4.38Å; C522-E524 WeakPolarHBondContact CB-OE2 3.41Å; C522-E524 PolarHBondContact O-N 3.47Å; E524-Q526 PolarHBondContact O-N 3.1Å
525	A	95.6	Very high	93.1	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	9%	0.093	C	C	.	.			trans	-54.6	135.7	176.8	0	0	0	0	0	110.2	V421 K422 E423 F431 M521 C522 M523 N532	V421-A525 HydrophobicContact CG1-CB 4.08Å; K422-A525 CarbonylContact O-C 3.58Å; K422-A525 WeakPolarHBondContact O-CA 3.4Å; E423-A525 WeakPolarHBondContact O-CA 3.37Å; F431-A525 HydrophobicContact CD2-CB 4.31Å; F431-A525 HydrophobicContact CG-CB 4.45Å; M521-A525 HydrophobicContact CB-CB 4.43Å; M521-A525 HydrophobicContact CG-CB 4.05Å; M521-A525 HydrophobicContact SD-CB 3.63Å; C522-A525 WeakPolarHBondContact O-CB 3.28Å; C522-A525 PolarHBondContact O-N 3.24Å; C522-A525 VanDerWaalsContact O-N 3.12Å; M523-A525 VanDerWaalsContact C-N 3.28Å; A525-N532 HydrophobicContact CB-CB 4.03Å; A525-N532 VanDerWaalsContact O-CB 3.28Å; A525-N532 WeakPolarHBondContact O-CB 3.44Å; A525-N532 PolarHBondContact O-N 2.94Å
526	Q	97	Very high	93.6	Very high	54 Å²	54	14.3 Å²	14.3	25%	0.252	9%	0.091	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	116.2	-164.8	-177.4	67.8	47.7	0	0	110.7	K422 E524 G530	K422-Q526 HydrophobicContact CB-CB 4.27Å; K422-Q526 PolarHBondContact N-O 3.22Å; K422-Q526 PolarHBondContact O-N 3.42Å; E524-Q526 PolarHBondContact O-N 3.1Å; Q526-G530 VanDerWaalsContact NE2-C 3.27Å; Q526-G530 PolarHBondContact NE2-O 3.48Å
527	F	96.7	Very high	93.9	Very high	2 Å²	2	14.2 Å²	14.2	1%	0.009	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	160.3	166.2	-56.6	-98.2	0	0	0	109.7	V421 D444 M521 G529 G530 N532 F535 Y539	V421-F527 HydrophobicContact CB-CE1 4.35Å; V421-F527 HydrophobicContact CG1-CD1 4.31Å; V421-F527 HydrophobicContact CG1-CD2 4.35Å; V421-F527 HydrophobicContact CG1-CE1 4.16Å; V421-F527 HydrophobicContact CG1-CE2 4.21Å; V421-F527 HydrophobicContact CG1-CG 4.39Å; V421-F527 HydrophobicContact CG1-CZ 4.12Å; V421-F527 HydrophobicContact CG2-CD1 3.54Å; V421-F527 HydrophobicContact CG2-CE1 3.21Å; V421-F527 HydrophobicContact CG2-CG 4.38Å; V421-F527 HydrophobicContact CG2-CZ 3.86Å; D444-F527 HydrophobicContact CB-CD1 4.25Å; D444-F527 WeakPolarHBondContact OD1-CD1 3.33Å; M521-F527 HydrophobicContact CE-CE1 4.45Å; M521-F527 HydrophobicContact CE-CZ 3.72Å; M521-F527 HydrophobicContact SD-CE2 3.82Å; M521-F527 HydrophobicContact SD-CZ 3.6Å; M521-F527 VanDerWaalsContact SD-CZ 3.6Å; F527-G529 PolarHBondContact O-N 3.04Å; F527-G530 CarbonylContact C-O 3.26Å; F527-G530 WeakPolarHBondContact CA-O 3.25Å; F527-G530 VanDerWaalsContact CB-O 3.23Å; F527-G530 WeakPolarHBondContact CB-O 3.35Å; F527-G530 PolarHBondContact N-O 3.23Å; F527-G530 PolarHBondContact O-N 3.09Å; F527-G530 VanDerWaalsContact O-O 3.09Å; F527-N532 HydrophobicContact CD2-CB 4.35Å; F527-N532 HydrophobicContact CE2-CB 3.72Å; F527-N532 WeakPolarHBondContact CE2-OD1 3.39Å; F527-F535 AromaticContact CD1-CD1 3.77Å; F527-F535 HydrophobicContact CD1-CD1 3.77Å; F527-F535 AromaticContact CD1-CE1 3.9Å; F527-F535 HydrophobicContact CD1-CE1 3.9Å; F527-F535 HydrophobicContact CD2-CB 4.06Å; F527-F535 AromaticContact CD2-CD1 3.72Å; F527-F535 HydrophobicContact CD2-CD1 3.72Å; F527-F535 HydrophobicContact CD2-CG 4.18Å; F527-F535 AromaticContact CE1-CD1 3.82Å; F527-F535 HydrophobicContact CE1-CD1 3.82Å; F527-F535 AromaticContact CE1-CE1 3.94Å; F527-F535 HydrophobicContact CE1-CE1 3.94Å; F527-F535 HydrophobicContact CE2-CB 4.36Å; F527-F535 AromaticContact CE2-CD1 3.75Å; F527-F535 HydrophobicContact CE2-CD1 3.75Å; F527-F535 HydrophobicContact CE2-CG 4.48Å; F527-F535 AromaticContact CG-CD1 3.74Å; F527-F535 HydrophobicContact CG-CD1 3.74Å; F527-F535 HydrophobicContact CG-CE1 4.28Å; F527-F535 HydrophobicContact CG-CG 4.32Å; F527-F535 AromaticContact CZ-CD1 3.81Å; F527-F535 HydrophobicContact CZ-CD1 3.81Å; F527-F535 HydrophobicContact CZ-CE1 4.33Å; F527-Y539 AromaticContact CE1-CD2 3.45Å; F527-Y539 HydrophobicContact CE1-CD2 3.45Å; F527-Y539 VanDerWaalsContact CE1-CD2 3.45Å; F527-Y539 AromaticContact CE1-CE2 3.72Å; F527-Y539 HydrophobicContact CE1-CE2 3.72Å; F527-Y539 AromaticContact CZ-CD2 3.78Å; F527-Y539 HydrophobicContact CZ-CD2 3.78Å; F527-Y539 HydrophobicContact CZ-CE2 4.27Å
528	S	94.3	Very high	94.3	Very high	67 Å²	67	14.2 Å²	14.2	47%	0.469	9%	0.091	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-34.9	170.5	-53.6	0	0	0	0	111.3	D444 H447	D444-S528 VanDerWaalsContact OD2-CB 3.25Å; D444-S528 WeakPolarHBondContact OD2-CB 3.37Å; D444-S528 PolarHBondContact OD2-N 3.41Å; D444-S528 PolarHBondContact OD2-OG 3.41Å; H447-S528 WeakPolarHBondContact CA-OG 3.42Å; H447-S528 PolarHBondContact CD2-OG 3.17Å
529	G	88.8	Confident	94.8	Very high	30 Å²	30	14 Å²	14	31%	0.309	9%	0.089	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.8	-6.4	177.2	0	0	0	0	0	115.2	T446 F527	T446-G529 WeakPolarHBondContact OG1-CA 3.39Å; T446-G529 PolarHBondContact OG1-N 3.4Å; F527-G529 PolarHBondContact O-N 3.04Å
530	G	91.9	Very high	95.2	Very high	17 Å²	17	12.1 Å²	12.1	18%	0.175	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	146.4	-178.6	179.4	0	0	0	0	0	114.3	Q526 F527	Q526-G530 VanDerWaalsContact NE2-C 3.27Å; Q526-G530 PolarHBondContact NE2-O 3.48Å; F527-G530 CarbonylContact C-O 3.26Å; F527-G530 WeakPolarHBondContact CA-O 3.25Å; F527-G530 VanDerWaalsContact CB-O 3.23Å; F527-G530 WeakPolarHBondContact CB-O 3.35Å; F527-G530 PolarHBondContact N-O 3.23Å; F527-G530 PolarHBondContact O-N 3.09Å; F527-G530 VanDerWaalsContact O-O 3.09Å
531	S	95.2	Very high	95.5	Very high	20 Å²	20	12.1 Å²	12.1	14%	0.14	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	150.4	175.2	60.1	0	0	0	0	111.7	Y533 N534 F535	S531-Y533 PolarHBondContact O-N 2.93Å; S531-N534 PolarHBondContact O-N 2.88Å; S531-N534 PolarHBondContact OG-ND2 2.77Å; S531-F535 WeakPolarHBondContact O-CB 3.08Å; S531-F535 PolarHBondContact O-N 3.38Å
532	N	96.5	Very high	95.8	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-56.5	-36.2	173.9	-173.1	50.3	0	0	0	111.9	M521 C522 M523 A525 F527 N534 F535 H536	M521-N532 HydrophobicContact CG-CB 4.27Å; M521-N532 VanDerWaalsContact CG-CG 3.42Å; M521-N532 WeakPolarHBondContact CG-ND2 3.05Å; M521-N532 PolarHBondContact O-ND2 2.91Å; M521-N532 HydrophobicContact SD-CB 4.15Å; C522-N532 WeakPolarHBondContact O-CB 3.25Å; C522-N532 PolarHBondContact O-ND2 2.85Å; C522-N532 VanDerWaalsContact O-ND2 3.09Å; M523-N532 WeakPolarHBondContact CE-ND2 3Å; A525-N532 HydrophobicContact CB-CB 4.03Å; A525-N532 VanDerWaalsContact O-CB 3.28Å; A525-N532 WeakPolarHBondContact O-CB 3.44Å; A525-N532 PolarHBondContact O-N 2.94Å; F527-N532 HydrophobicContact CD2-CB 4.35Å; F527-N532 HydrophobicContact CE2-CB 3.72Å; F527-N532 WeakPolarHBondContact CE2-OD1 3.39Å; N532-N534 PolarHBondContact O-N 2.65Å; N532-F535 PolarHBondContact O-N 2.98Å; N532-F535 VanDerWaalsContact O-N 3.12Å; N532-H536 VanDerWaalsContact O-CB 3.22Å; N532-H536 WeakPolarHBondContact O-CB 3.42Å; N532-H536 PolarHBondContact O-N 3.07Å; N532-H536 WeakPolarHBondContact OD1-CA 3.26Å; N532-H536 WeakPolarHBondContact OD1-CB 3.39Å
533	Y	96.4	Very high	96.1	Very high	5 Å²	5	11.9 Å²	11.9	2%	0.02	8%	0.079	C	C	.	.	H	α-helix	trans	-49.7	-33.3	173.4	-167.3	-94.3	0	0	0	114.6	Q180 N255 L272 W499 P502 L516 M523 S531	Q180-Y533 WeakPolarHBondContact CG-OH 3.24Å; Q180-Y533 PolarHBondContact NE2-OH 3.18Å; N255-Y533 PolarHBondContact ND2-O 2.96Å; L272-Y533 HydrophobicContact CB-CE1 4.18Å; L272-Y533 WeakPolarHBondContact CB-OH 3.4Å; L272-Y533 HydrophobicContact CD1-CE2 4.44Å; W499-Y533 HydrophobicContact CB-CD2 4.5Å; W499-Y533 AromaticContact CE3-CD1 3.86Å; W499-Y533 HydrophobicContact CE3-CD1 3.86Å; W499-Y533 AromaticContact CE3-CD2 3.76Å; W499-Y533 HydrophobicContact CE3-CD2 3.76Å; W499-Y533 HydrophobicContact CE3-CE1 4.27Å; W499-Y533 HydrophobicContact CE3-CE2 4.16Å; W499-Y533 AromaticContact CE3-CG 3.56Å; W499-Y533 HydrophobicContact CE3-CG 3.56Å; W499-Y533 AromaticContact CZ3-CD1 3.75Å; W499-Y533 HydrophobicContact CZ3-CD1 3.75Å; W499-Y533 HydrophobicContact CZ3-CD2 4.49Å; W499-Y533 HydrophobicContact CZ3-CE1 4.17Å; W499-Y533 AromaticContact CZ3-CG 3.91Å; W499-Y533 HydrophobicContact CZ3-CG 3.91Å; W499-Y533 WeakPolarHBondContact O-CD2 3.2Å; W499-Y533 WeakPolarHBondContact O-CE2 3.1Å; P502-Y533 HydrophobicContact CG-CE2 4.27Å; L516-Y533 HydrophobicContact CD1-CD2 3.99Å; L516-Y533 HydrophobicContact CD1-CE2 3.5Å; M523-Y533 HydrophobicContact CB-CD2 3.93Å; M523-Y533 HydrophobicContact CG-CD2 3.99Å; M523-Y533 PolarHBondContact O-N 3.44Å; M523-Y533 HydrophobicContact SD-CD2 4.12Å; S531-Y533 PolarHBondContact O-N 2.93Å
534	N	96.7	Very high	96.3	Very high	27 Å²	27	11.9 Å²	11.9	14%	0.144	8%	0.079	C	C	.	.	H	α-helix	trans	-96.3	-37.9	176.3	-67.7	-51.1	0	0	0	112.3	Y121 S254 N255 S531 N532	Y121-N534 HydrophobicContact CD1-CB 3.71Å; Y121-N534 HydrophobicContact CD2-CB 3.78Å; Y121-N534 HydrophobicContact CE1-CB 3.74Å; Y121-N534 HydrophobicContact CE2-CB 3.81Å; Y121-N534 HydrophobicContact CG-CB 3.73Å; Y121-N534 PolarHBondContact OH-O 3.06Å; S254-N534 PolarHBondContact OG-O 2.73Å; N255-N534 WeakPolarHBondContact ND2-CA 3.46Å; N255-N534 PolarHBondContact ND2-OD1 3.18Å; N255-N534 PolarHBondContact OD1-OD1 3.39Å; S531-N534 PolarHBondContact O-N 2.88Å; S531-N534 PolarHBondContact OG-ND2 2.77Å; N532-N534 PolarHBondContact O-N 2.65Å
535	F	96.2	Very high	96.5	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-92.7	-22.2	-165.1	-172.4	-100.7	0	0	0	115	L127 T446 F527 S531 N532 S537 L538 Y539	L127-F535 HydrophobicContact CD1-CD2 4.46Å; L127-F535 HydrophobicContact CD1-CE2 3.54Å; L127-F535 HydrophobicContact CD1-CZ 4.34Å; T446-F535 HydrophobicContact CG2-CD2 4.24Å; T446-F535 HydrophobicContact CG2-CE1 4.03Å; T446-F535 HydrophobicContact CG2-CE2 3.35Å; T446-F535 HydrophobicContact CG2-CZ 3.23Å; F527-F535 AromaticContact CD1-CD1 3.77Å; F527-F535 HydrophobicContact CD1-CD1 3.77Å; F527-F535 AromaticContact CD1-CE1 3.9Å; F527-F535 HydrophobicContact CD1-CE1 3.9Å; F527-F535 HydrophobicContact CD2-CB 4.06Å; F527-F535 AromaticContact CD2-CD1 3.72Å; F527-F535 HydrophobicContact CD2-CD1 3.72Å; F527-F535 HydrophobicContact CD2-CG 4.18Å; F527-F535 AromaticContact CE1-CD1 3.82Å; F527-F535 HydrophobicContact CE1-CD1 3.82Å; F527-F535 AromaticContact CE1-CE1 3.94Å; F527-F535 HydrophobicContact CE1-CE1 3.94Å; F527-F535 HydrophobicContact CE2-CB 4.36Å; F527-F535 AromaticContact CE2-CD1 3.75Å; F527-F535 HydrophobicContact CE2-CD1 3.75Å; F527-F535 HydrophobicContact CE2-CG 4.48Å; F527-F535 AromaticContact CG-CD1 3.74Å; F527-F535 HydrophobicContact CG-CD1 3.74Å; F527-F535 HydrophobicContact CG-CE1 4.28Å; F527-F535 HydrophobicContact CG-CG 4.32Å; F527-F535 AromaticContact CZ-CD1 3.81Å; F527-F535 HydrophobicContact CZ-CD1 3.81Å; F527-F535 HydrophobicContact CZ-CE1 4.33Å; S531-F535 WeakPolarHBondContact O-CB 3.08Å; S531-F535 PolarHBondContact O-N 3.38Å; N532-F535 PolarHBondContact O-N 2.98Å; N532-F535 VanDerWaalsContact O-N 3.12Å; F535-S537 PolarHBondContact O-N 3.07Å; F535-S537 VanDerWaalsContact O-N 3.13Å; F535-L538 HydrophobicContact CD2-CB 3.96Å; F535-L538 HydrophobicContact CD2-CD1 4.04Å; F535-L538 HydrophobicContact CE2-CB 3.71Å; F535-L538 HydrophobicContact CE2-CD1 4.19Å; F535-L538 HydrophobicContact CG-CB 4.49Å; F535-L538 HydrophobicContact CZ-CB 4.05Å; F535-L538 WeakPolarHBondContact O-CA 3.27Å; F535-L538 VanDerWaalsContact O-CB 3.29Å; F535-L538 WeakPolarHBondContact O-CB 3.41Å; F535-L538 PolarHBondContact O-N 2.86Å; F535-Y539 HydrophobicContact CE1-CD2 4.22Å; F535-Y539 PolarHBondContact O-N 2.9Å
536	H	97.4	Very high	96.7	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	8%	0.082	C	C	.	.	G	3₁₀ helix	trans	-42.3	-53.3	-171.7	172.6	76.2	0	0	0	114.8	W216 A217 E476 T520 N532 L538 Y539	W216-H536 AromaticContact CD1-NE2 4Å; W216-H536 AromaticContact CD2-CD2 3.32Å; W216-H536 AromaticContact CD2-NE2 3.84Å; W216-H536 AromaticContact CE2-CD2 3.12Å; W216-H536 AromaticContact CE2-CG 3.71Å; W216-H536 AromaticContact CE2-NE2 3.55Å; W216-H536 AromaticContact CE3-CD2 3.54Å; W216-H536 HydrophobicContact CH2-CB 3.19Å; W216-H536 AromaticContact CH2-CD2 3.53Å; W216-H536 AromaticContact CH2-CG 3.55Å; W216-H536 HydrophobicContact CZ2-CB 3.48Å; W216-H536 VanDerWaalsContact CZ2-CB 3.48Å; W216-H536 AromaticContact CZ2-CD2 3.24Å; W216-H536 WeakPolarHBondContact CZ2-CD2 3.3Å; W216-H536 AromaticContact CZ2-CG 3.33Å; W216-H536 AromaticContact CZ2-NE2 3.98Å; W216-H536 HydrophobicContact CZ3-CB 3.75Å; W216-H536 AromaticContact CZ3-CD2 3.62Å; W216-H536 AromaticContact NE1-CD2 3.72Å; W216-H536 AromaticContact NE1-NE2 3.62Å; A217-H536 PolarHBondContact O-CE1 2.66Å; A217-H536 PolarHBondContact O-NE2 3.48Å; E476-H536 PolarHBondContact O-CE1 3.12Å; T520-H536 PolarHBondContact OG1-CE1 3.24Å; T520-H536 PolarHBondContact OG1-ND1 3.26Å; N532-H536 VanDerWaalsContact O-CB 3.22Å; N532-H536 WeakPolarHBondContact O-CB 3.42Å; N532-H536 PolarHBondContact O-N 3.07Å; N532-H536 WeakPolarHBondContact OD1-CA 3.26Å; N532-H536 WeakPolarHBondContact OD1-CB 3.39Å; H536-L538 PolarHBondContact O-N 2.92Å; H536-L538 VanDerWaalsContact O-N 3.13Å; H536-Y539 VanDerWaalsContact O-CB 3.3Å; H536-Y539 WeakPolarHBondContact O-CB 3.35Å; H536-Y539 PolarHBondContact O-N 3.4Å
537	S	97.7	Very high	96.8	Very high	0 Å²	0	10 Å²	10	0%	0	7%	0.07	C	C	.	.	G	3₁₀ helix	trans	-66.6	-14.4	-179.1	-51.6	0	0	0	0	114	W216 S254 F535	W216-S537 VanDerWaalsContact CE3-OG 3.27Å; S254-S537 WeakPolarHBondContact O-CB 3.38Å; S254-S537 PolarHBondContact O-OG 3.33Å; F535-S537 PolarHBondContact O-N 3.07Å; F535-S537 VanDerWaalsContact O-N 3.13Å
538	L	97.8	Very high	96.8	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	8%	0.078	C	C	.	.	G	3₁₀ helix	trans	-92.7	-9.7	174.8	-65.9	169.8	0	0	0	113	Y121 V123 L127 V128 F535 H536 G540 H541 S542 F568	Y121-L538 WeakPolarHBondContact OH-CD1 3.46Å; V123-L538 HydrophobicContact CG1-CD1 4.13Å; V123-L538 HydrophobicContact CG1-CD2 4.12Å; L127-L538 HydrophobicContact CD1-CD1 4.18Å; V128-L538 HydrophobicContact CG2-CD2 4.36Å; F535-L538 HydrophobicContact CD2-CB 3.96Å; F535-L538 HydrophobicContact CD2-CD1 4.04Å; F535-L538 HydrophobicContact CE2-CB 3.71Å; F535-L538 HydrophobicContact CE2-CD1 4.19Å; F535-L538 HydrophobicContact CG-CB 4.49Å; F535-L538 HydrophobicContact CZ-CB 4.05Å; F535-L538 WeakPolarHBondContact O-CA 3.27Å; F535-L538 VanDerWaalsContact O-CB 3.29Å; F535-L538 WeakPolarHBondContact O-CB 3.41Å; F535-L538 PolarHBondContact O-N 2.86Å; H536-L538 PolarHBondContact O-N 2.92Å; H536-L538 VanDerWaalsContact O-N 3.13Å; L538-G540 PolarHBondContact O-N 2.9Å; L538-H541 WeakPolarHBondContact O-CB 3.45Å; L538-H541 PolarHBondContact O-N 2.69Å; L538-S542 WeakPolarHBondContact O-CB 3.32Å; L538-S542 PolarHBondContact O-N 2.77Å; L538-S542 PolarHBondContact O-OG 2.7Å; L538-F568 HydrophobicContact CD2-CB 4.26Å; L538-F568 HydrophobicContact CD2-CD1 3.26Å; L538-F568 HydrophobicContact CD2-CD2 4.4Å; L538-F568 HydrophobicContact CD2-CE1 3.56Å; L538-F568 HydrophobicContact CD2-CG 3.74Å; L538-F568 HydrophobicContact CD2-CZ 4.28Å
539	Y	98.4	Very high	97	Very high	0 Å²	0	12 Å²	12	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-59.6	-52.3	-175.3	-177.1	-91.8	0	0	0	111.8	P385 P443 F445 N475 P477 F527 F535 H536 H541 S542 M543	P385-Y539 HydrophobicContact CB-CE1 3.93Å; P385-Y539 VanDerWaalsContact CB-OH 3.25Å; P385-Y539 WeakPolarHBondContact CB-OH 3.07Å; P385-Y539 HydrophobicContact CG-CE1 4.04Å; P443-Y539 WeakPolarHBondContact O-CE2 3.25Å; P443-Y539 PolarHBondContact O-OH 3.32Å; F445-Y539 HydrophobicContact CD2-CD2 4.33Å; F445-Y539 HydrophobicContact CD2-CE1 4.38Å; F445-Y539 AromaticContact CD2-CE2 3.82Å; F445-Y539 HydrophobicContact CD2-CE2 3.82Å; F445-Y539 AromaticContact CD2-CZ 3.86Å; F445-Y539 AromaticContact CE2-CE1 3.93Å; F445-Y539 HydrophobicContact CE2-CE1 3.93Å; F445-Y539 AromaticContact CE2-CE2 3.96Å; F445-Y539 HydrophobicContact CE2-CE2 3.96Å; F445-Y539 AromaticContact CE2-CZ 3.5Å; F445-Y539 WeakPolarHBondContact CE2-OH 3.34Å; N475-Y539 HydrophobicContact CB-CD1 4.37Å; N475-Y539 HydrophobicContact CB-CE1 4.33Å; N475-Y539 WeakPolarHBondContact O-CD1 3.22Å; P477-Y539 HydrophobicContact CB-CD1 3.97Å; P477-Y539 HydrophobicContact CB-CE1 4.03Å; P477-Y539 HydrophobicContact CB-CG 4.22Å; P477-Y539 HydrophobicContact CG-CD1 4.12Å; P477-Y539 HydrophobicContact CG-CG 4.01Å; F527-Y539 AromaticContact CE1-CD2 3.45Å; F527-Y539 HydrophobicContact CE1-CD2 3.45Å; F527-Y539 VanDerWaalsContact CE1-CD2 3.45Å; F527-Y539 AromaticContact CE1-CE2 3.72Å; F527-Y539 HydrophobicContact CE1-CE2 3.72Å; F527-Y539 AromaticContact CZ-CD2 3.78Å; F527-Y539 HydrophobicContact CZ-CD2 3.78Å; F527-Y539 HydrophobicContact CZ-CE2 4.27Å; F535-Y539 HydrophobicContact CE1-CD2 4.22Å; F535-Y539 PolarHBondContact O-N 2.9Å; H536-Y539 VanDerWaalsContact O-CB 3.3Å; H536-Y539 WeakPolarHBondContact O-CB 3.35Å; H536-Y539 PolarHBondContact O-N 3.4Å; Y539-H541 VanDerWaalsContact C-N 3.31Å; Y539-H541 PolarHBondContact O-N 2.95Å; Y539-S542 PolarHBondContact O-N 2.98Å; Y539-S542 VanDerWaalsContact O-N 3.16Å; Y539-S542 PolarHBondContact O-OG 3.02Å; Y539-M543 PolarHBondContact O-N 3.31Å
540	G	98.5	Very high	97.5	Very high	0 Å²	0	10.6 Å²	10.6	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-61.4	-38.2	177.7	0	0	0	0	0	113.8	N475 L538 S544	N475-G540 VanDerWaalsContact ND2-CA 3.29Å; N475-G540 WeakPolarHBondContact ND2-CA 3.44Å; N475-G540 WeakPolarHBondContact O-CA 3.43Å; N475-G540 PolarHBondContact O-N 2.83Å; L538-G540 PolarHBondContact O-N 2.9Å; G540-S544 WeakPolarHBondContact O-CB 3.49Å; G540-S544 PolarHBondContact O-N 2.88Å; G540-S544 PolarHBondContact O-OG 2.94Å
541	H	98.6	Very high	97.8	Very high	1 Å²	1	10.9 Å²	10.9	1%	0.005	5%	0.052	C	C	.	.	H	α-helix	trans	-61.9	-47.5	172.8	174.3	86.7	0	0	0	112	L127 L538 Y539 M543 S544 K545 F568 T571 Y574	L127-H541 PolarHBondContact O-NE2 3.39Å; L538-H541 WeakPolarHBondContact O-CB 3.45Å; L538-H541 PolarHBondContact O-N 2.69Å; Y539-H541 VanDerWaalsContact C-N 3.31Å; Y539-H541 PolarHBondContact O-N 2.95Å; H541-M543 PolarHBondContact O-N 3.41Å; H541-S544 WeakPolarHBondContact O-CB 3.45Å; H541-S544 PolarHBondContact O-N 3.39Å; H541-K545 WeakPolarHBondContact O-CB 3.37Å; H541-K545 PolarHBondContact O-N 3.1Å; H541-F568 HydrophobicContact CB-CB 3.77Å; H541-T571 PolarHBondContact ND1-OG1 2.88Å; H541-Y574 AromaticContact CE1-CE2 3.84Å
542	S	98.4	Very high	97.8	Very high	3 Å²	3	11.6 Å²	11.6	2%	0.021	5%	0.053	C	C	.	.	H	α-helix	trans	-64	-40.2	-179.6	70.6	0	0	0	0	112.3	F445 L538 Y539 K545 L546	F445-S542 WeakPolarHBondContact CB-OG 3.32Å; L538-S542 WeakPolarHBondContact O-CB 3.32Å; L538-S542 PolarHBondContact O-N 2.77Å; L538-S542 PolarHBondContact O-OG 2.7Å; Y539-S542 PolarHBondContact O-N 2.98Å; Y539-S542 VanDerWaalsContact O-N 3.16Å; Y539-S542 PolarHBondContact O-OG 3.02Å; S542-K545 PolarHBondContact O-N 3.09Å; S542-L546 VanDerWaalsContact O-CB 3.29Å; S542-L546 WeakPolarHBondContact O-CB 3.47Å; S542-L546 PolarHBondContact O-N 2.84Å
543	M	98.6	Very high	97.9	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-61.1	-44.4	172.9	-174.2	175.2	178	0	0	111.4	V383 P385 F445 W454 I472 N475 Y539 H541 T547	V383-M543 HydrophobicContact CG1-CE 4.42Å; P385-M543 HydrophobicContact CB-CE 4.24Å; P385-M543 HydrophobicContact CB-SD 3.95Å; P385-M543 HydrophobicContact CG-SD 4.3Å; F445-M543 HydrophobicContact CD2-CB 3.65Å; F445-M543 HydrophobicContact CD2-CG 4.17Å; F445-M543 HydrophobicContact CE1-CB 4.36Å; F445-M543 HydrophobicContact CE1-CG 3.95Å; F445-M543 HydrophobicContact CE2-CB 3.45Å; F445-M543 VanDerWaalsContact CE2-CB 3.45Å; F445-M543 HydrophobicContact CE2-CG 3.5Å; F445-M543 VanDerWaalsContact CE2-CG 3.5Å; F445-M543 HydrophobicContact CE2-SD 3.78Å; F445-M543 HydrophobicContact CG-CB 4.2Å; F445-M543 HydrophobicContact CZ-CB 3.85Å; F445-M543 HydrophobicContact CZ-CE 4.23Å; F445-M543 HydrophobicContact CZ-CG 3.38Å; F445-M543 HydrophobicContact CZ-SD 3.76Å; W454-M543 HydrophobicContact CH2-CE 3.74Å; W454-M543 HydrophobicContact CZ2-CE 3.57Å; W454-M543 HydrophobicContact CZ2-CG 4.47Å; I472-M543 HydrophobicContact CB-CE 4.32Å; I472-M543 HydrophobicContact CD1-CE 4.29Å; I472-M543 HydrophobicContact CD1-CG 4.18Å; I472-M543 HydrophobicContact CG1-CE 4.09Å; I472-M543 HydrophobicContact CG2-CE 3.42Å; I472-M543 VanDerWaalsContact CG2-CE 3.42Å; I472-M543 HydrophobicContact CG2-CG 4.22Å; I472-M543 HydrophobicContact CG2-SD 3.38Å; I472-M543 WeakPolarHBondContact CG2-SD 3.06Å; N475-M543 HydrophobicContact CB-SD 3.73Å; Y539-M543 PolarHBondContact O-N 3.31Å; H541-M543 PolarHBondContact O-N 3.41Å; M543-T547 VanDerWaalsContact O-CB 3.25Å; M543-T547 WeakPolarHBondContact O-CB 3.18Å; M543-T547 PolarHBondContact O-N 3.21Å; M543-T547 PolarHBondContact O-OG1 2.85Å
544	S	98.8	Very high	97.9	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-64.1	-47.3	179.4	-62	0	0	0	0	111.9	G540 H541 T547 Y548 T564	G540-S544 WeakPolarHBondContact O-CB 3.49Å; G540-S544 PolarHBondContact O-N 2.88Å; G540-S544 PolarHBondContact O-OG 2.94Å; H541-S544 WeakPolarHBondContact O-CB 3.45Å; H541-S544 PolarHBondContact O-N 3.39Å; S544-T547 PolarHBondContact O-N 3.19Å; S544-Y548 WeakPolarHBondContact O-CB 3.29Å; S544-Y548 PolarHBondContact O-N 2.83Å; S544-T564 VanDerWaalsContact OG-CB 3.31Å; S544-T564 WeakPolarHBondContact OG-CB 3.05Å; S544-T564 WeakPolarHBondContact OG-CG2 3.29Å; S544-T564 PolarHBondContact OG-OG1 2.88Å
545	K	98.3	Very high	97.8	Very high	28 Å²	28	20.8 Å²	20.8	12%	0.122	10%	0.099	C	C	.	.	H	α-helix	trans	-60.1	-50.2	177.1	179.4	172.1	-175.4	-76.1	0	111.7	F126 H541 S542 T547 Y548 E549 Y574	F126-K545 WeakPolarHBondContact O-CE 3.26Å; F126-K545 PolarHBondContact O-NZ 3.39Å; H541-K545 WeakPolarHBondContact O-CB 3.37Å; H541-K545 PolarHBondContact O-N 3.1Å; S542-K545 PolarHBondContact O-N 3.09Å; K545-T547 VanDerWaalsContact C-N 3.34Å; K545-T547 PolarHBondContact O-N 2.97Å; K545-Y548 WeakPolarHBondContact O-CB 3.46Å; K545-Y548 PolarHBondContact O-N 3.47Å; K545-E549 WeakPolarHBondContact CE-OE1 3.48Å; K545-E549 IonicContact NZ-OE1 3.32Å; K545-E549 PolarHBondContact NZ-OE1 2.89Å; K545-E549 WeakPolarHBondContact O-CG 3.39Å; K545-E549 PolarHBondContact O-N 2.95Å; K545-Y574 HydrophobicContact CB-CD1 4.48Å; K545-Y574 HydrophobicContact CB-CD2 3.9Å; K545-Y574 HydrophobicContact CB-CE2 4.11Å; K545-Y574 HydrophobicContact CB-CG 4.09Å; K545-Y574 HydrophobicContact CD-CE1 4.44Å; K545-Y574 HydrophobicContact CD-CE2 3.9Å; K545-Y574 WeakPolarHBondContact CE-OH 3.38Å; K545-Y574 HydrophobicContact CG-CD1 4.23Å; K545-Y574 HydrophobicContact CG-CD2 4.19Å; K545-Y574 HydrophobicContact CG-CE1 4.02Å; K545-Y574 HydrophobicContact CG-CE2 3.97Å; K545-Y574 HydrophobicContact CG-CG 4.31Å
546	L	98.3	Very high	97.6	Very high	9 Å²	9	24.7 Å²	24.7	5%	0.047	12%	0.124	C	C	.	.	H	α-helix	trans	-66	-37.3	-179.7	-167.4	149	0	0	0	111.7	F445 A450 W454 S542 E549 V550	F445-L546 HydrophobicContact CB-CD1 4.32Å; F445-L546 HydrophobicContact CD1-CD1 4.28Å; F445-L546 HydrophobicContact CD1-CD2 4.32Å; F445-L546 WeakPolarHBondContact O-CD1 3.45Å; A450-L546 HydrophobicContact CB-CD1 3.69Å; W454-L546 HydrophobicContact CB-CD2 3.28Å; W454-L546 HydrophobicContact CD2-CD2 4.43Å; W454-L546 HydrophobicContact CG-CD2 3.41Å; W454-L546 VanDerWaalsContact CG-CD2 3.41Å; S542-L546 VanDerWaalsContact O-CB 3.29Å; S542-L546 WeakPolarHBondContact O-CB 3.47Å; S542-L546 PolarHBondContact O-N 2.84Å; L546-E549 PolarHBondContact O-N 3.04Å; L546-V550 HydrophobicContact CD2-CG2 4.07Å; L546-V550 WeakPolarHBondContact O-CB 3.45Å; L546-V550 WeakPolarHBondContact O-CG2 3.42Å; L546-V550 PolarHBondContact O-N 2.63Å
547	T	98.8	Very high	97.4	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-62.5	-43.3	172.8	-58	0	0	0	0	111.5	W454 I458 L470 I472 M543 S544 K545 V550 M551 I562	W454-T547 PolarHBondContact NE1-OG1 3.04Å; I458-T547 HydrophobicContact CD1-CG2 4.07Å; L470-T547 HydrophobicContact CD1-CG2 3.68Å; I472-T547 HydrophobicContact CD1-CG2 4.24Å; M543-T547 VanDerWaalsContact O-CB 3.25Å; M543-T547 WeakPolarHBondContact O-CB 3.18Å; M543-T547 PolarHBondContact O-N 3.21Å; M543-T547 PolarHBondContact O-OG1 2.85Å; S544-T547 PolarHBondContact O-N 3.19Å; K545-T547 VanDerWaalsContact C-N 3.34Å; K545-T547 PolarHBondContact O-N 2.97Å; T547-V550 PolarHBondContact O-N 3.01Å; T547-M551 HydrophobicContact CG2-CG 4.38Å; T547-M551 HydrophobicContact CG2-SD 4.21Å; T547-M551 WeakPolarHBondContact O-CB 3.3Å; T547-M551 VanDerWaalsContact O-CG 3.32Å; T547-M551 WeakPolarHBondContact O-CG 3.46Å; T547-M551 PolarHBondContact O-N 3.04Å; T547-I562 HydrophobicContact CG2-CD1 3.67Å; T547-I562 HydrophobicContact CG2-CG1 3.99Å
548	Y	98.4	Very high	97.2	Very high	47 Å²	47	37.9 Å²	37.9	18%	0.184	18%	0.179	C	C	.	.	H	α-helix	trans	-58.7	-50.5	175.3	178.2	-84.8	0	0	0	111.1	S544 K545 V550 M551 K552 P560 I562 Y574	S544-Y548 WeakPolarHBondContact O-CB 3.29Å; S544-Y548 PolarHBondContact O-N 2.83Å; K545-Y548 WeakPolarHBondContact O-CB 3.46Å; K545-Y548 PolarHBondContact O-N 3.47Å; Y548-V550 VanDerWaalsContact C-N 3.35Å; Y548-V550 PolarHBondContact O-N 2.85Å; Y548-M551 PolarHBondContact O-N 3.45Å; Y548-K552 HydrophobicContact CD1-CG 4.04Å; Y548-K552 HydrophobicContact CE1-CD 4.27Å; Y548-K552 HydrophobicContact CE1-CG 3.66Å; Y548-K552 WeakPolarHBondContact O-CG 3.42Å; Y548-K552 PolarHBondContact O-N 3.18Å; Y548-P560 HydrophobicContact CD2-CB 3.81Å; Y548-P560 HydrophobicContact CD2-CG 3.65Å; Y548-P560 HydrophobicContact CE2-CB 4.16Å; Y548-P560 HydrophobicContact CE2-CG 3.67Å; Y548-P560 HydrophobicContact CG-CG 4.24Å; Y548-I562 VanDerWaalsContact CA-CD1 3.41Å; Y548-I562 VanDerWaalsContact N-CD1 3.29Å; Y548-Y574 AromaticContact CD1-CD1 3.93Å; Y548-Y574 HydrophobicContact CD1-CD1 3.93Å; Y548-Y574 WeakPolarHBondContact CD2-O 3.25Å; Y548-Y574 HydrophobicContact CE1-CD1 4.48Å; Y548-Y574 HydrophobicContact CG-CD1 4.02Å
549	E	97.7	Very high	97.1	Very high	65 Å²	65	38.6 Å²	38.6	30%	0.304	18%	0.181	S	C	.	.	H	α-helix	trans	-58.6	-44.4	178.5	-70.6	170.6	-174.3	0	0	111.9	K545 L546 K552 Q553	K545-E549 WeakPolarHBondContact CE-OE1 3.48Å; K545-E549 IonicContact NZ-OE1 3.32Å; K545-E549 PolarHBondContact NZ-OE1 2.89Å; K545-E549 WeakPolarHBondContact O-CG 3.39Å; K545-E549 PolarHBondContact O-N 2.95Å; L546-E549 PolarHBondContact O-N 3.04Å; E549-K552 WeakPolarHBondContact O-CB 3.46Å; E549-K552 PolarHBondContact O-N 2.62Å; E549-Q553 WeakPolarHBondContact O-CG 3.25Å; E549-Q553 PolarHBondContact O-N 2.67Å
550	V	98.5	Very high	97.1	Very high	0 Å²	0	39 Å²	39	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-65.3	-43.8	177	165.1	0	0	0	0	111.9	T451 W454 Y455 I458 L546 T547 Y548 K552 Q553 L554	T451-V550 HydrophobicContact CG2-CG2 4.37Å; W454-V550 HydrophobicContact CB-CG2 4.28Å; Y455-V550 HydrophobicContact CD2-CG1 4.15Å; I458-V550 HydrophobicContact CB-CG1 4.11Å; I458-V550 HydrophobicContact CD1-CB 4.35Å; I458-V550 HydrophobicContact CD1-CG1 3.74Å; I458-V550 HydrophobicContact CG1-CG1 4.4Å; I458-V550 HydrophobicContact CG2-CG1 4.34Å; L546-V550 HydrophobicContact CD2-CG2 4.07Å; L546-V550 WeakPolarHBondContact O-CB 3.45Å; L546-V550 WeakPolarHBondContact O-CG2 3.42Å; L546-V550 PolarHBondContact O-N 2.63Å; T547-V550 PolarHBondContact O-N 3.01Å; Y548-V550 VanDerWaalsContact C-N 3.35Å; Y548-V550 PolarHBondContact O-N 2.85Å; V550-K552 VanDerWaalsContact C-N 3.27Å; V550-K552 PolarHBondContact O-N 2.72Å; V550-Q553 WeakPolarHBondContact O-CB 3.39Å; V550-Q553 PolarHBondContact O-N 3.32Å; V550-L554 HydrophobicContact CG1-CD1 4Å; V550-L554 HydrophobicContact CG1-CG 4.49Å; V550-L554 WeakPolarHBondContact O-CG 3.1Å; V550-L554 PolarHBondContact O-N 2.56Å
551	M	98	Very high	97.1	Very high	23 Å²	23	39 Å²	39	11%	0.113	18%	0.184	C	C	.	.	H	α-helix	trans	-62.6	-36.6	176.3	-73.9	-173.8	75.5	0	0	111.6	L470 T547 Y548 L554 N555 P560 I562	L470-M551 HydrophobicContact CD1-SD 4.23Å; L470-M551 HydrophobicContact CG-SD 4.42Å; T547-M551 HydrophobicContact CG2-CG 4.38Å; T547-M551 HydrophobicContact CG2-SD 4.21Å; T547-M551 WeakPolarHBondContact O-CB 3.3Å; T547-M551 VanDerWaalsContact O-CG 3.32Å; T547-M551 WeakPolarHBondContact O-CG 3.46Å; T547-M551 PolarHBondContact O-N 3.04Å; Y548-M551 PolarHBondContact O-N 3.45Å; M551-L554 PolarHBondContact O-N 2.83Å; M551-N555 PolarHBondContact O-N 2.88Å; M551-P560 HydrophobicContact CB-CB 3.9Å; M551-P560 HydrophobicContact CB-CG 3.95Å; M551-P560 HydrophobicContact CE-CB 4.22Å; M551-P560 HydrophobicContact SD-CB 4.01Å; M551-I562 HydrophobicContact SD-CD1 3.83Å; M551-I562 HydrophobicContact SD-CG1 3.56Å; M551-I562 VanDerWaalsContact SD-CG1 3.56Å
552	K	96.7	Very high	97.1	Very high	35 Å²	35	39 Å²	39	15%	0.152	18%	0.184	C	C	.	.	H	α-helix	trans	-65.1	-39.1	170.3	-69.2	-61.9	-56.6	-176.2	0	112	Y548 E549 V550 N555 P556 R558 P560 D814	Y548-K552 HydrophobicContact CD1-CG 4.04Å; Y548-K552 HydrophobicContact CE1-CD 4.27Å; Y548-K552 HydrophobicContact CE1-CG 3.66Å; Y548-K552 WeakPolarHBondContact O-CG 3.42Å; Y548-K552 PolarHBondContact O-N 3.18Å; E549-K552 WeakPolarHBondContact O-CB 3.46Å; E549-K552 PolarHBondContact O-N 2.62Å; V550-K552 VanDerWaalsContact C-N 3.27Å; V550-K552 PolarHBondContact O-N 2.72Å; K552-N555 CarbonylContact O-C 3.55Å; K552-N555 VanDerWaalsContact O-C 3.23Å; K552-N555 PolarHBondContact O-N 3.33Å; K552-P556 WeakPolarHBondContact CE-O 3.29Å; K552-P556 PolarHBondContact NZ-O 2.7Å; K552-P556 WeakPolarHBondContact O-CA 3.47Å; K552-P556 WeakPolarHBondContact O-CD 3.37Å; K552-P556 WeakPolarHBondContact O-CG 3.46Å; K552-R558 PolarHBondContact NZ-O 3.13Å; K552-P560 HydrophobicContact CD-CG 3.64Å; K552-P560 HydrophobicContact CG-CG 3.84Å; K552-D814 IonicContact NZ-OD2 2.72Å; K552-D814 PolarHBondContact NZ-OD2 3.38Å
553	Q	97.5	Very high	97.1	Very high	99 Å²	99	38.9 Å²	38.9	46%	0.463	18%	0.183	S	C	.	.	H	α-helix	trans	-64.8	-41.8	175.3	-71.3	175	42.9	0	0	112.2	Y455 E549 V550	Y455-Q553 HydrophobicContact CD2-CB 4.02Å; Y455-Q553 HydrophobicContact CE2-CB 3.89Å; E549-Q553 WeakPolarHBondContact O-CG 3.25Å; E549-Q553 PolarHBondContact O-N 2.67Å; V550-Q553 WeakPolarHBondContact O-CB 3.39Å; V550-Q553 PolarHBondContact O-N 3.32Å
554	L	96.4	Very high	97.1	Very high	39 Å²	39	38.9 Å²	38.9	20%	0.204	18%	0.183	C	C	.	.	H	α-helix	trans	-68.3	-38.8	178.5	-70.5	169.2	0	0	0	112.1	Y455 I458 M459 V550 M551	Y455-L554 HydrophobicContact CD2-CD2 4.04Å; Y455-L554 HydrophobicContact CD2-CG 4.04Å; Y455-L554 HydrophobicContact CE1-CD2 4.32Å; Y455-L554 HydrophobicContact CE2-CD2 3.35Å; Y455-L554 HydrophobicContact CE2-CG 3.65Å; I458-L554 HydrophobicContact CB-CD1 4.16Å; I458-L554 HydrophobicContact CG2-CD1 3.41Å; I458-L554 VanDerWaalsContact CG2-CD1 3.41Å; M459-L554 HydrophobicContact CB-CD2 3.89Å; M459-L554 HydrophobicContact CG-CD2 3.96Å; V550-L554 HydrophobicContact CG1-CD1 4Å; V550-L554 HydrophobicContact CG1-CG 4.49Å; V550-L554 WeakPolarHBondContact O-CG 3.1Å; V550-L554 PolarHBondContact O-N 2.56Å; M551-L554 PolarHBondContact O-N 2.83Å
555	N	94.5	Very high	97.1	Very high	87 Å²	87	39.2 Å²	39.2	47%	0.465	18%	0.184	S	C	.	.	S	Bend	trans	-138.5	79.4	179.9	-68.2	-57.5	0	0	0	111.5	M551 K552 K557 R558	M551-N555 PolarHBondContact O-N 2.88Å; K552-N555 CarbonylContact O-C 3.55Å; K552-N555 VanDerWaalsContact O-C 3.23Å; K552-N555 PolarHBondContact O-N 3.33Å; N555-K557 PolarHBondContact O-N 3.31Å; N555-R558 HydrophobicContact CB-CB 4.03Å; N555-R558 HydrophobicContact CB-CG 4.24Å; N555-R558 PolarHBondContact O-N 2.78Å
556	P	93	Very high	97.1	Very high	82 Å²	82	37.9 Å²	37.9	53%	0.532	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-27.6	-170.5	-27.9	34.9	0	0	0	115.8	K552	K552-P556 WeakPolarHBondContact CE-O 3.29Å; K552-P556 PolarHBondContact NZ-O 2.7Å; K552-P556 WeakPolarHBondContact O-CA 3.47Å; K552-P556 WeakPolarHBondContact O-CD 3.37Å; K552-P556 WeakPolarHBondContact O-CG 3.46Å
557	K	91.8	Very high	97.1	Very high	154 Å²	154	37.4 Å²	37.4	67%	0.67	18%	0.176	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.8	-19.1	-179.5	-64.6	-172.4	178.2	-173.4	0	113.4	N555 T813 D814	N555-K557 PolarHBondContact O-N 3.31Å; K557-T813 HydrophobicContact CB-CG2 4.43Å; K557-T813 CarbonylContact O-C 3.41Å; K557-T813 WeakPolarHBondContact O-CA 3.31Å; K557-T813 WeakPolarHBondContact O-CG2 3.5Å; K557-D814 PolarHBondContact O-N 3.16Å
558	R	94.1	Very high	97.1	Very high	124 Å²	124	37.4 Å²	37.4	47%	0.468	18%	0.176	S	C	.	.	B	Isolated β-bridge	trans	-87.4	151.5	-176.2	-69.9	-168.6	172.6	-161.1	-3.9	111.1	K552 N555 P560	K552-R558 PolarHBondContact NZ-O 3.13Å; N555-R558 HydrophobicContact CB-CB 4.03Å; N555-R558 HydrophobicContact CB-CG 4.24Å; N555-R558 PolarHBondContact O-N 2.78Å; R558-P560 WeakPolarHBondContact O-CD 3.44Å
559	R	96.1	Very high	97.1	Very high	14 Å²	14	35.2 Å²	35.2	5%	0.053	17%	0.167	C	C	.	.	P	Polyproline II helix	trans	-75.9	123.2	165.8	-65.4	172.1	-166.9	172.9	5.4	109.3	L302 P303 P304 Y675 D809 Q812 T813 D814	L302-R559 VanDerWaalsContact CD2-CZ 3.42Å; L302-R559 WeakPolarHBondContact O-CD 3.44Å; P303-R559 PolarHBondContact O-NH1 3.36Å; P304-R559 HydrophobicContact CB-CB 4.49Å; R559-Y675 PolarHBondContact NH1-OH 3.26Å; R559-D809 IonicContact CZ-OD2 2.75Å; R559-D809 IonicContact NH1-OD2 3.71Å; R559-D809 IonicContact NH2-OD2 3.63Å; R559-D809 PolarHBondContact NH2-OD2 2.61Å; R559-Q812 PolarHBondContact N-O 3.02Å; R559-T813 PolarHBondContact NE-O 3.31Å; R559-T813 PolarHBondContact NH2-O 2.99Å; R559-D814 HydrophobicContact CG-CB 4.2Å
560	P	97.8	Very high	97	Very high	9 Å²	9	32.3 Å²	32.3	6%	0.058	16%	0.155	C	C	.	.	P	Polyproline II helix	trans	-62.5	141.2	168	-23.3	36.5	0	0	0	110.6	Y548 M551 K552 R558 I562	Y548-P560 HydrophobicContact CD2-CB 3.81Å; Y548-P560 HydrophobicContact CD2-CG 3.65Å; Y548-P560 HydrophobicContact CE2-CB 4.16Å; Y548-P560 HydrophobicContact CE2-CG 3.67Å; Y548-P560 HydrophobicContact CG-CG 4.24Å; M551-P560 HydrophobicContact CB-CB 3.9Å; M551-P560 HydrophobicContact CB-CG 3.95Å; M551-P560 HydrophobicContact CE-CB 4.22Å; M551-P560 HydrophobicContact SD-CB 4.01Å; K552-P560 HydrophobicContact CD-CG 3.64Å; K552-P560 HydrophobicContact CG-CG 3.84Å; R558-P560 WeakPolarHBondContact O-CD 3.44Å; P560-I562 HydrophobicContact CB-CD1 4.12Å; P560-I562 HydrophobicContact CB-CG1 4.42Å
561	F	98.6	Very high	97.1	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	16%	0.156	C	C	.	.			trans	-114.8	108.7	165.7	-178.2	-99	0	0	0	107.9	P304 W306 S307 H311 W341 V380 G469 L470 V563 F576 M606 L635	P304-F561 HydrophobicContact CG-CB 4.05Å; P304-F561 HydrophobicContact CG-CD2 4.19Å; P304-F561 HydrophobicContact CG-CG 4.49Å; W306-F561 HydrophobicContact CH2-CB 3.54Å; W306-F561 AromaticContact CH2-CD1 3.55Å; W306-F561 HydrophobicContact CH2-CD1 3.55Å; W306-F561 HydrophobicContact CH2-CD2 4.13Å; W306-F561 HydrophobicContact CH2-CE1 4.29Å; W306-F561 AromaticContact CH2-CG 3.45Å; W306-F561 HydrophobicContact CH2-CG 3.45Å; W306-F561 VanDerWaalsContact CH2-CG 3.45Å; W306-F561 HydrophobicContact CZ2-CB 3.74Å; W306-F561 HydrophobicContact CZ2-CG 4.12Å; W306-F561 HydrophobicContact CZ3-CD1 4.06Å; W306-F561 HydrophobicContact CZ3-CD2 4.49Å; W306-F561 HydrophobicContact CZ3-CE1 4.35Å; W306-F561 HydrophobicContact CZ3-CG 4.12Å; S307-F561 VanDerWaalsContact CB-CD2 3.42Å; S307-F561 WeakPolarHBondContact OG-CE2 3.37Å; H311-F561 AromaticContact CE1-CZ 3.84Å; W341-F561 AromaticContact CH2-CE1 4Å; W341-F561 HydrophobicContact CH2-CE1 4Å; W341-F561 HydrophobicContact CH2-CZ 4.43Å; W341-F561 AromaticContact CZ2-CE1 3.96Å; W341-F561 HydrophobicContact CZ2-CE1 3.96Å; W341-F561 HydrophobicContact CZ2-CZ 4.27Å; V380-F561 HydrophobicContact CG1-CE1 4.5Å; V380-F561 HydrophobicContact CG2-CD1 4.05Å; V380-F561 HydrophobicContact CG2-CE1 4.15Å; G469-F561 CarbonylContact C-O 3.53Å; G469-F561 WeakPolarHBondContact CA-O 3.43Å; L470-F561 PolarHBondContact N-O 3.28Å; F561-V563 HydrophobicContact CE1-CG2 3.7Å; F561-V563 HydrophobicContact CE2-CG2 4.11Å; F561-V563 HydrophobicContact CZ-CG2 3.41Å; F561-V563 VanDerWaalsContact CZ-CG2 3.41Å; F561-F576 AromaticContact CD2-CD2 3.55Å; F561-F576 HydrophobicContact CD2-CD2 3.55Å; F561-F576 AromaticContact CD2-CE2 3.47Å; F561-F576 HydrophobicContact CD2-CE2 3.47Å; F561-F576 VanDerWaalsContact CD2-CE2 3.47Å; F561-F576 AromaticContact CE2-CD2 3.5Å; F561-F576 HydrophobicContact CE2-CD2 3.5Å; F561-F576 AromaticContact CE2-CE2 3.85Å; F561-F576 HydrophobicContact CE2-CE2 3.85Å; F561-F576 HydrophobicContact CG-CD2 4.44Å; F561-F576 HydrophobicContact CG-CE2 4.4Å; F561-F576 HydrophobicContact CZ-CD2 4.42Å; F561-M606 HydrophobicContact CE2-CE 4.27Å; F561-L635 HydrophobicContact CZ-CD1 4.45Å
562	I	98.9	Very high	97.1	Very high	1 Å²	1	31.5 Å²	31.5	1%	0.005	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	125.8	-179	-60.4	161	0	0	0	106.6	L470 I472 T547 Y548 M551 P560 A575 F576	L470-I562 WeakPolarHBondContact O-CA 3.39Å; I472-I562 HydrophobicContact CD1-CG2 3.54Å; I472-I562 HydrophobicContact CG1-CG2 4.19Å; T547-I562 HydrophobicContact CG2-CD1 3.67Å; T547-I562 HydrophobicContact CG2-CG1 3.99Å; Y548-I562 VanDerWaalsContact CA-CD1 3.41Å; Y548-I562 VanDerWaalsContact N-CD1 3.29Å; M551-I562 HydrophobicContact SD-CD1 3.83Å; M551-I562 HydrophobicContact SD-CG1 3.56Å; M551-I562 VanDerWaalsContact SD-CG1 3.56Å; P560-I562 HydrophobicContact CB-CD1 4.12Å; P560-I562 HydrophobicContact CB-CG1 4.42Å; I562-A575 HydrophobicContact CB-CB 3.99Å; I562-A575 HydrophobicContact CG2-CB 3.75Å; I562-A575 WeakPolarHBondContact O-CA 3.43Å; I562-F576 WeakPolarHBondContact O-CB 3.24Å; I562-F576 WeakPolarHBondContact O-CD2 3.48Å; I562-F576 PolarHBondContact O-N 3.25Å
563	V	98.9	Very high	97.1	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	117.2	173.3	167.3	0	0	0	0	107.3	W341 L470 W471 I472 F561 F576 W578 L635	W341-V563 HydrophobicContact CH2-CB 3.76Å; W341-V563 HydrophobicContact CH2-CG1 3.98Å; W341-V563 HydrophobicContact CH2-CG2 3.79Å; W341-V563 HydrophobicContact CZ3-CB 4.25Å; W341-V563 HydrophobicContact CZ3-CG1 4.35Å; L470-V563 PolarHBondContact O-N 2.67Å; W471-V563 CarbonylContact C-O 3.58Å; W471-V563 WeakPolarHBondContact CA-O 3.43Å; I472-V563 PolarHBondContact N-O 3.48Å; F561-V563 HydrophobicContact CE1-CG2 3.7Å; F561-V563 HydrophobicContact CE2-CG2 4.11Å; F561-V563 HydrophobicContact CZ-CG2 3.41Å; F561-V563 VanDerWaalsContact CZ-CG2 3.41Å; V563-F576 CarbonylContact C-O 3.59Å; V563-F576 WeakPolarHBondContact CA-O 3.39Å; V563-F576 HydrophobicContact CG2-CB 3.86Å; V563-F576 HydrophobicContact CG2-CD2 4.48Å; V563-W578 HydrophobicContact CG1-CD2 4.36Å; V563-W578 HydrophobicContact CG1-CE3 3.37Å; V563-W578 HydrophobicContact CG1-CZ3 3.84Å; V563-L635 HydrophobicContact CG1-CD2 4.34Å
564	T	98.8	Very high	97.2	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	144.6	-174.5	-175.7	0	0	0	0	111.4	I472 N475 S544 S566 N567 T571 A575 F576 H577	I472-T564 WeakPolarHBondContact O-CA 3.22Å; N475-T564 PolarHBondContact ND2-OG1 3.02Å; S544-T564 VanDerWaalsContact OG-CB 3.31Å; S544-T564 WeakPolarHBondContact OG-CB 3.05Å; S544-T564 WeakPolarHBondContact OG-CG2 3.29Å; S544-T564 PolarHBondContact OG-OG1 2.88Å; T564-S566 WeakPolarHBondContact CG2-O 3.44Å; T564-S566 PolarHBondContact OG1-O 3.39Å; T564-N567 HydrophobicContact CG2-CB 4.46Å; T564-T571 HydrophobicContact CG2-CG2 3.8Å; T564-A575 HydrophobicContact CG2-CB 3.65Å; T564-F576 WeakPolarHBondContact CG2-O 3.4Å; T564-F576 PolarHBondContact N-O 2.93Å; T564-H577 PolarHBondContact O-ND1 3.33Å
565	R	98.1	Very high	97.3	Very high	7 Å²	7	25.7 Å²	25.7	3%	0.026	13%	0.126	C	C	.	.	S	Bend	trans	-76.7	-67.6	172.8	-152	168	60.3	170.3	2.7	109.5	D219 Y230 I472 M474 E476 S478 N567 H577 W578	D219-R565 IonicContact OD1-CZ 3.83Å; D219-R565 VanDerWaalsContact OD1-CZ 3.26Å; D219-R565 IonicContact OD1-NH1 2.68Å; D219-R565 PolarHBondContact OD1-NH1 3.24Å; D219-R565 VanDerWaalsContact OD1-NH1 3.09Å; D219-R565 IonicContact OD1-NH2 3.51Å; D219-R565 PolarHBondContact OD1-NH2 3.13Å; Y230-R565 HydrophobicContact CD1-CG 3.59Å; Y230-R565 HydrophobicContact CD2-CG 4.06Å; Y230-R565 HydrophobicContact CE1-CG 3.99Å; Y230-R565 HydrophobicContact CE2-CG 4.48Å; Y230-R565 HydrophobicContact CG-CG 3.58Å; I472-R565 PolarHBondContact O-N 2.95Å; M474-R565 PolarHBondContact SD-NH2 3.06Å; E476-R565 WeakPolarHBondContact OE1-CB 3.28Å; E476-R565 WeakPolarHBondContact OE1-CG 3.32Å; E476-R565 IonicContact OE1-CZ 2.79Å; E476-R565 IonicContact OE1-NE 2.73Å; E476-R565 PolarHBondContact OE1-NE 2.75Å; E476-R565 VanDerWaalsContact OE1-NE 3.11Å; E476-R565 IonicContact OE2-CZ 3.89Å; E476-R565 IonicContact OE2-NE 3.65Å; E476-R565 PolarHBondContact OE2-NE 3.48Å; E476-R565 IonicContact OE2-NH2 3.99Å; E476-R565 PolarHBondContact OE2-NH2 2.87Å; S478-R565 PolarHBondContact OG-NH2 2.69Å; R565-N567 PolarHBondContact O-ND2 3.12Å; R565-N567 VanDerWaalsContact O-ND2 3.13Å; R565-H577 PolarHBondContact O-CE1 3.12Å; R565-H577 PolarHBondContact O-ND1 3.01Å; R565-W578 HydrophobicContact CB-CH2 3.28Å; R565-W578 HydrophobicContact CB-CZ2 3.77Å; R565-W578 HydrophobicContact CB-CZ3 3.81Å; R565-W578 HydrophobicContact CG-CH2 3.68Å; R565-W578 HydrophobicContact CG-CZ2 3.58Å; R565-W578 HydrophobicContact CG-CZ3 4.36Å
566	S	98.5	Very high	97.5	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	10%	0.104	C	C	.	.	S	Bend	trans	-74.3	139.1	179	-170.1	0	0	0	0	111.7	Y230 N475 E476 T564	Y230-S566 WeakPolarHBondContact O-CA 3.36Å; Y230-S566 PolarHBondContact O-OG 3.08Å; Y230-S566 VanDerWaalsContact O-OG 3.12Å; N475-S566 VanDerWaalsContact C-CB 3.49Å; N475-S566 VanDerWaalsContact O-CB 3.22Å; N475-S566 WeakPolarHBondContact O-CB 3.45Å; N475-S566 PolarHBondContact O-OG 2.95Å; N475-S566 WeakPolarHBondContact OD1-CB 3.47Å; N475-S566 PolarHBondContact OD1-N 3Å; E476-S566 WeakPolarHBondContact OE1-CA 3.39Å; E476-S566 WeakPolarHBondContact OE1-CB 3.36Å; E476-S566 PolarHBondContact OE1-N 3.02Å; E476-S566 VanDerWaalsContact OE1-N 3.11Å; T564-S566 WeakPolarHBondContact CG2-O 3.44Å; T564-S566 PolarHBondContact OG1-O 3.39Å
567	N	98.5	Very high	97.8	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	162	-177.5	64.3	83.6	0	0	0	111.8	G231 V232 Q233 T564 R565 T571 H577 Y599 I604	G231-N567 WeakPolarHBondContact CA-O 3.48Å; V232-N567 PolarHBondContact N-O 3.21Å; Q233-N567 PolarHBondContact NE2-OD1 3.37Å; T564-N567 HydrophobicContact CG2-CB 4.46Å; R565-N567 PolarHBondContact O-ND2 3.12Å; R565-N567 VanDerWaalsContact O-ND2 3.13Å; N567-T571 HydrophobicContact CB-CG2 3.71Å; N567-H577 PolarHBondContact ND2-CE1 3.04Å; N567-Y599 PolarHBondContact ND2-OH 2.72Å; N567-Y599 WeakPolarHBondContact OD1-CE1 3.48Å; N567-Y599 PolarHBondContact OD1-OH 2.88Å; N567-I604 HydrophobicContact CB-CD1 4.22Å
568	F	98.4	Very high	98.1	Very high	0 Å²	0	10.8 Å²	10.8	0%	0	5%	0.048	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	176.8	175	-167.6	-111.7	0	0	0	108.9	V123 V128 V232 Q233 M252 N253 L538 H541 G570 T571	V123-F568 HydrophobicContact CG1-CE1 4.31Å; V123-F568 HydrophobicContact CG2-CE1 4.34Å; V123-F568 HydrophobicContact CG2-CZ 4.39Å; V128-F568 HydrophobicContact CG2-CD1 4.11Å; V128-F568 HydrophobicContact CG2-CE1 4.37Å; V232-F568 HydrophobicContact CB-CD2 3.92Å; V232-F568 HydrophobicContact CB-CE2 4.3Å; V232-F568 HydrophobicContact CG1-CD2 3.92Å; V232-F568 HydrophobicContact CG1-CE2 3.78Å; V232-F568 WeakPolarHBondContact O-CA 3.25Å; V232-F568 WeakPolarHBondContact O-CD2 3.47Å; Q233-F568 PolarHBondContact NE2-O 3.38Å; Q233-F568 VanDerWaalsContact NE2-O 3.15Å; M252-F568 HydrophobicContact SD-CE1 4.18Å; N253-F568 WeakPolarHBondContact O-CZ 3.4Å; L538-F568 HydrophobicContact CD2-CB 4.26Å; L538-F568 HydrophobicContact CD2-CD1 3.26Å; L538-F568 HydrophobicContact CD2-CD2 4.4Å; L538-F568 HydrophobicContact CD2-CE1 3.56Å; L538-F568 HydrophobicContact CD2-CG 3.74Å; L538-F568 HydrophobicContact CD2-CZ 4.28Å; H541-F568 HydrophobicContact CB-CB 3.77Å; F568-G570 PolarHBondContact O-N 3.19Å; F568-T571 PolarHBondContact N-OG1 2.78Å; F568-T571 WeakPolarHBondContact O-CB 3.42Å; F568-T571 PolarHBondContact O-N 3.26Å; F568-T571 VanDerWaalsContact O-N 3.11Å; F568-T571 PolarHBondContact O-OG1 3.13Å; F568-T571 VanDerWaalsContact O-OG1 3.09Å
569	V	97.3	Very high	98.2	Very high	0 Å²	0	5.1 Å²	5.1	0%	0	3%	0.027	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.1	131.3	171.9	-66.6	0	0	0	0	110.2	L250 M252 I297	L250-V569 HydrophobicContact CD1-CG1 3.75Å; L250-V569 HydrophobicContact CD1-CG2 4.45Å; M252-V569 HydrophobicContact CE-CG2 3.97Å; M252-V569 HydrophobicContact SD-CG2 3.77Å; I297-V569 HydrophobicContact CD1-CB 4.14Å; I297-V569 HydrophobicContact CG2-CB 4.49Å
570	G	97.4	Very high	98.1	Very high	5 Å²	5	4.5 Å²	4.5	5%	0.052	3%	0.025	C	C	.	.	T	Hydrogen-bonded Turn	trans	90	-9.4	-178.9	0	0	0	0	0	115.3	I297 F568 G572 S573	I297-G570 VanDerWaalsContact O-CA 3.26Å; I297-G570 WeakPolarHBondContact O-CA 3.14Å; F568-G570 PolarHBondContact O-N 3.19Å; G570-G572 PolarHBondContact O-N 2.88Å; G570-G572 VanDerWaalsContact O-N 3.12Å; G570-S573 WeakPolarHBondContact O-CB 3.39Å; G570-S573 PolarHBondContact O-N 2.84Å; G570-S573 VanDerWaalsContact O-N 3.1Å; G570-S573 PolarHBondContact O-OG 2.82Å
571	T	98.7	Very high	97.9	Very high	1 Å²	1	5.7 Å²	5.7	1%	0.006	3%	0.03	C	C	.	.	G	3₁₀ helix	trans	-56	-30.8	176.8	-67.5	0	0	0	0	113	H541 T564 N567 F568 S573 Y574 A575 I604	H541-T571 PolarHBondContact ND1-OG1 2.88Å; T564-T571 HydrophobicContact CG2-CG2 3.8Å; N567-T571 HydrophobicContact CB-CG2 3.71Å; F568-T571 PolarHBondContact N-OG1 2.78Å; F568-T571 WeakPolarHBondContact O-CB 3.42Å; F568-T571 PolarHBondContact O-N 3.26Å; F568-T571 VanDerWaalsContact O-N 3.11Å; F568-T571 PolarHBondContact O-OG1 3.13Å; F568-T571 VanDerWaalsContact O-OG1 3.09Å; T571-S573 PolarHBondContact O-N 2.95Å; T571-Y574 PolarHBondContact O-N 3.48Å; T571-A575 HydrophobicContact CG2-CB 4.14Å; T571-A575 PolarHBondContact O-N 3.45Å; T571-I604 HydrophobicContact CG2-CD1 4.46Å
572	G	98.5	Very high	97.8	Very high	4 Å²	4	5.8 Å²	5.8	4%	0.041	3%	0.031	C	C	.	.	G	3₁₀ helix	trans	-55.7	-21	177.7	0	0	0	0	0	114.9	P300 A301 G570 Y574 G603	P300-G572 CarbonylContact C-O 3.53Å; P300-G572 WeakPolarHBondContact CA-O 3.47Å; A301-G572 PolarHBondContact N-O 3.13Å; G570-G572 PolarHBondContact O-N 2.88Å; G570-G572 VanDerWaalsContact O-N 3.12Å; G572-Y574 PolarHBondContact O-N 2.98Å; G572-G603 WeakPolarHBondContact CA-O 3.43Å
573	S	97.9	Very high	97.7	Very high	18 Å²	18	8.6 Å²	8.6	13%	0.126	4%	0.044	C	C	.	.	G	3₁₀ helix	trans	-72	-17.1	174.7	-51.8	0	0	0	0	113.8	G298 R299 G570 T571	G298-S573 VanDerWaalsContact C-OG 3.24Å; G298-S573 WeakPolarHBondContact CA-OG 3.19Å; R299-S573 WeakPolarHBondContact O-CA 3.36Å; R299-S573 PolarHBondContact O-OG 3.47Å; G570-S573 WeakPolarHBondContact O-CB 3.39Å; G570-S573 PolarHBondContact O-N 2.84Å; G570-S573 VanDerWaalsContact O-N 3.1Å; G570-S573 PolarHBondContact O-OG 2.82Å; T571-S573 PolarHBondContact O-N 2.95Å
574	Y	98.6	Very high	97.6	Very high	34 Å²	34	9.3 Å²	9.3	13%	0.133	5%	0.05	C	C	.	.	T	Hydrogen-bonded Turn	trans	-127.6	-31.4	-169.2	-49.9	-64.2	0	0	0	113.1	H541 K545 Y548 T571 G572	H541-Y574 AromaticContact CE1-CE2 3.84Å; K545-Y574 HydrophobicContact CB-CD1 4.48Å; K545-Y574 HydrophobicContact CB-CD2 3.9Å; K545-Y574 HydrophobicContact CB-CE2 4.11Å; K545-Y574 HydrophobicContact CB-CG 4.09Å; K545-Y574 HydrophobicContact CD-CE1 4.44Å; K545-Y574 HydrophobicContact CD-CE2 3.9Å; K545-Y574 WeakPolarHBondContact CE-OH 3.38Å; K545-Y574 HydrophobicContact CG-CD1 4.23Å; K545-Y574 HydrophobicContact CG-CD2 4.19Å; K545-Y574 HydrophobicContact CG-CE1 4.02Å; K545-Y574 HydrophobicContact CG-CE2 3.97Å; K545-Y574 HydrophobicContact CG-CG 4.31Å; Y548-Y574 AromaticContact CD1-CD1 3.93Å; Y548-Y574 HydrophobicContact CD1-CD1 3.93Å; Y548-Y574 WeakPolarHBondContact CD2-O 3.25Å; Y548-Y574 HydrophobicContact CE1-CD1 4.48Å; Y548-Y574 HydrophobicContact CG-CD1 4.02Å; T571-Y574 PolarHBondContact O-N 3.48Å; G572-Y574 PolarHBondContact O-N 2.98Å
575	A	98.8	Very high	97.5	Very high	0 Å²	0	11.3 Å²	11.3	0%	0	6%	0.062	C	C	.	.			trans	-146.7	161.6	-175.5	0	0	0	0	0	112.3	I562 T564 T571	I562-A575 HydrophobicContact CB-CB 3.99Å; I562-A575 HydrophobicContact CG2-CB 3.75Å; I562-A575 WeakPolarHBondContact O-CA 3.43Å; T564-A575 HydrophobicContact CG2-CB 3.65Å; T571-A575 HydrophobicContact CG2-CB 4.14Å; T571-A575 PolarHBondContact O-N 3.45Å
576	F	98.8	Very high	97.5	Very high	5 Å²	5	12.9 Å²	12.9	2%	0.022	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	174.4	175.5	-51.7	-47.1	0	0	0	109.3	A301 P303 F561 I562 V563 T564 M606	A301-F576 HydrophobicContact CB-CE1 3.9Å; A301-F576 HydrophobicContact CB-CZ 4.09Å; P303-F576 HydrophobicContact CB-CE1 4.39Å; P303-F576 HydrophobicContact CB-CE2 4.17Å; P303-F576 HydrophobicContact CB-CZ 3.76Å; F561-F576 AromaticContact CD2-CD2 3.55Å; F561-F576 HydrophobicContact CD2-CD2 3.55Å; F561-F576 AromaticContact CD2-CE2 3.47Å; F561-F576 HydrophobicContact CD2-CE2 3.47Å; F561-F576 VanDerWaalsContact CD2-CE2 3.47Å; F561-F576 AromaticContact CE2-CD2 3.5Å; F561-F576 HydrophobicContact CE2-CD2 3.5Å; F561-F576 AromaticContact CE2-CE2 3.85Å; F561-F576 HydrophobicContact CE2-CE2 3.85Å; F561-F576 HydrophobicContact CG-CD2 4.44Å; F561-F576 HydrophobicContact CG-CE2 4.4Å; F561-F576 HydrophobicContact CZ-CD2 4.42Å; I562-F576 WeakPolarHBondContact O-CB 3.24Å; I562-F576 WeakPolarHBondContact O-CD2 3.48Å; I562-F576 PolarHBondContact O-N 3.25Å; V563-F576 CarbonylContact C-O 3.59Å; V563-F576 WeakPolarHBondContact CA-O 3.39Å; V563-F576 HydrophobicContact CG2-CB 3.86Å; V563-F576 HydrophobicContact CG2-CD2 4.48Å; T564-F576 WeakPolarHBondContact CG2-O 3.4Å; T564-F576 PolarHBondContact N-O 2.93Å; F576-M606 HydrophobicContact CB-CB 3.84Å; F576-M606 HydrophobicContact CB-CG 3.72Å; F576-M606 WeakPolarHBondContact CB-O 3.4Å; F576-M606 HydrophobicContact CD1-CB 3.25Å; F576-M606 HydrophobicContact CD1-CG 3.7Å; F576-M606 HydrophobicContact CD2-CB 4.48Å; F576-M606 HydrophobicContact CD2-CG 4Å; F576-M606 HydrophobicContact CE1-CB 3.84Å; F576-M606 HydrophobicContact CE1-CG 4.26Å; F576-M606 HydrophobicContact CG-CB 3.59Å; F576-M606 HydrophobicContact CG-CG 3.5Å
577	H	98.7	Very high	97.4	Very high	0 Å²	0	18 Å²	18	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	157.1	-171.8	-176.3	56.9	0	0	0	112.2	E198 T564 R565 N567 Y599 I604 M606 V607 L635	E198-H577 IonicContact OE1-NE2 2.67Å; E198-H577 IonicContact OE2-CE1 3.69Å; E198-H577 IonicContact OE2-NE2 2.62Å; T564-H577 PolarHBondContact O-ND1 3.33Å; R565-H577 PolarHBondContact O-CE1 3.12Å; R565-H577 PolarHBondContact O-ND1 3.01Å; N567-H577 PolarHBondContact ND2-CE1 3.04Å; H577-Y599 AromaticContact CD2-CD1 3.97Å; H577-Y599 AromaticContact CD2-CD2 3.85Å; H577-Y599 AromaticContact CD2-CE1 3.53Å; H577-Y599 AromaticContact CD2-CE2 3.37Å; H577-Y599 WeakPolarHBondContact CD2-CE2 3.36Å; H577-Y599 AromaticContact CD2-CZ 3.19Å; H577-Y599 AromaticContact NE2-CE1 3.98Å; H577-Y599 AromaticContact NE2-CE2 3.4Å; H577-Y599 WeakPolarHBondContact NE2-CE2 3.49Å; H577-Y599 AromaticContact NE2-CZ 3.2Å; H577-Y599 PolarHBondContact NE2-OH 2.82Å; H577-I604 HydrophobicContact CB-CG2 3.96Å; H577-M606 PolarHBondContact N-O 2.71Å; H577-M606 VanDerWaalsContact N-O 3.09Å; H577-V607 HydrophobicContact CB-CG2 4.41Å; H577-V607 VanDerWaalsContact O-CA 3.3Å; H577-V607 WeakPolarHBondContact O-CA 3.35Å; H577-L635 WeakPolarHBondContact O-CD2 3.23Å
578	W	98.1	Very high	97.3	Very high	4 Å²	4	18.3 Å²	18.3	2%	0.015	9%	0.094	C	C	.	.			trans	-125.5	145.3	161.4	78.8	105.8	0	0	0	107.1	W471 I472 A473 V563 R565 G580 G608 L635 R637	W471-W578 AromaticContact CD1-CH2 3.55Å; W471-W578 AromaticContact CD1-CZ3 3.45Å; W471-W578 VanDerWaalsContact CD1-CZ3 3.45Å; W471-W578 AromaticContact CE2-CH2 3.94Å; W471-W578 HydrophobicContact CZ2-CH2 4.47Å; W471-W578 HydrophobicContact CZ2-CZ2 4.1Å; W471-W578 AromaticContact NE1-CE2 3.9Å; W471-W578 AromaticContact NE1-CE3 3.84Å; W471-W578 AromaticContact NE1-CH2 2.84Å; W471-W578 AromaticContact NE1-CZ2 3.27Å; W471-W578 VanDerWaalsContact NE1-CZ2 3.27Å; W471-W578 AromaticContact NE1-CZ3 3.14Å; I472-W578 VanDerWaalsContact O-CH2 3.31Å; I472-W578 WeakPolarHBondContact O-CH2 3.49Å; I472-W578 WeakPolarHBondContact O-CZ3 3.47Å; A473-W578 HydrophobicContact CB-CH2 4.11Å; V563-W578 HydrophobicContact CG1-CD2 4.36Å; V563-W578 HydrophobicContact CG1-CE3 3.37Å; V563-W578 HydrophobicContact CG1-CZ3 3.84Å; R565-W578 HydrophobicContact CB-CH2 3.28Å; R565-W578 HydrophobicContact CB-CZ2 3.77Å; R565-W578 HydrophobicContact CB-CZ3 3.81Å; R565-W578 HydrophobicContact CG-CH2 3.68Å; R565-W578 HydrophobicContact CG-CZ2 3.58Å; R565-W578 HydrophobicContact CG-CZ3 4.36Å; W578-G580 VanDerWaalsContact NE1-CA 3.31Å; W578-G580 PolarHBondContact O-N 3.03Å; W578-G608 CarbonylContact C-O 3.39Å; W578-G608 VanDerWaalsContact CA-O 3.24Å; W578-G608 WeakPolarHBondContact CA-O 3.26Å; W578-L635 HydrophobicContact CB-CD2 3.98Å; W578-R637 VanDerWaalsContact CG-NH2 3.32Å
579	L	96.6	Very high	97.3	Very high	6 Å²	6	18.3 Å²	18.3	3%	0.031	9%	0.094	C	C	.	.			trans	-66.5	14.6	-175.6	-61.6	-176.1	0	0	0	114.2	L222 I596 Y599 V607 G608 A609	L222-L579 WeakPolarHBondContact CD1-O 3.37Å; L222-L579 HydrophobicContact CD2-CB 4.37Å; L222-L579 WeakPolarHBondContact CD2-O 3.35Å; L579-I596 HydrophobicContact CD1-CG1 4.04Å; L579-Y599 HydrophobicContact CD2-CD2 3.53Å; L579-Y599 HydrophobicContact CD2-CE2 3.71Å; L579-V607 HydrophobicContact CD2-CG2 3.77Å; L579-V607 HydrophobicContact CG-CG2 4.15Å; L579-G608 PolarHBondContact N-O 3.43Å; L579-A609 HydrophobicContact CD1-CB 4.25Å
580	G	93.8	Very high	97.2	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.106	C	C	.	.			trans	72.7	-162	179	0	0	0	0	0	115.7	W578 N582	W578-G580 VanDerWaalsContact NE1-CA 3.31Å; W578-G580 PolarHBondContact O-N 3.03Å; G580-N582 PolarHBondContact O-N 3.21Å
581	D	94.8	Very high	97.2	Very high	34 Å²	34	22.4 Å²	22.4	18%	0.182	11%	0.109	C	C	.	.	S	Bend	trans	-77.5	84.5	-169.5	-63.9	4.9	0	0	0	111.3	A221 L222 Y230 F614	A221-D581 HydrophobicContact CB-CB 3.91Å; L222-D581 PolarHBondContact N-O 2.75Å; Y230-D581 PolarHBondContact OH-N 3.36Å; D581-F614 HydrophobicContact CB-CD1 3.49Å; D581-F614 VanDerWaalsContact CB-CD1 3.49Å; D581-F614 HydrophobicContact CB-CE1 3.81Å; D581-F614 HydrophobicContact CB-CG 4.24Å; D581-F614 VanDerWaalsContact CG-CE1 3.5Å; D581-F614 WeakPolarHBondContact OD2-CE1 3.3Å
582	N	96.2	Very high	97.1	Very high	3 Å²	3	22.6 Å²	22.6	2%	0.016	11%	0.111	C	C	.	.	B	Isolated β-bridge	trans	-81.4	153.1	174.9	62.7	-22	0	0	0	112.7	G580 D610 F614 A615 W626	G580-N582 PolarHBondContact O-N 3.21Å; N582-D610 PolarHBondContact ND2-O 2.87Å; N582-D610 WeakPolarHBondContact OD1-CB 3.41Å; N582-F614 WeakPolarHBondContact O-CA 3.48Å; N582-F614 WeakPolarHBondContact O-CB 3.42Å; N582-F614 PolarHBondContact O-N 3.29Å; N582-F614 PolarHBondContact OD1-N 2.9Å; N582-A615 PolarHBondContact O-N 2.88Å; N582-W626 WeakPolarHBondContact ND2-CH2 3.32Å; N582-W626 WeakPolarHBondContact ND2-CZ2 3.2Å
583	E	96.4	Very high	97.1	Very high	59 Å²	59	22.6 Å²	22.6	28%	0.276	11%	0.11	S	C	.	.	B	Isolated β-bridge	trans	-85.8	151	173.2	-56.2	177.6	98.8	0	0	112.1	Y223 T585 Q588 A615	Y223-E583 VanDerWaalsContact CD1-CD 3.46Å; Y223-E583 HydrophobicContact CD1-CG 3.87Å; Y223-E583 HydrophobicContact CE1-CG 4.01Å; E583-T585 HydrophobicContact CB-CG2 4.04Å; E583-T585 PolarHBondContact O-N 2.66Å; E583-Q588 VanDerWaalsContact CG-NE2 3.25Å; E583-Q588 PolarHBondContact OE2-NE2 2.77Å; E583-A615 WeakPolarHBondContact CA-O 3.44Å; E583-A615 HydrophobicContact CG-CB 4.29Å
584	A	97.1	Very high	97.1	Very high	16 Å²	16	21.7 Å²	21.7	13%	0.132	10%	0.104	C	C	.	.	S	Bend	trans	-74.5	65.3	173.1	0	0	0	0	0	112	C612 A615 L622	A584-C612 VanDerWaalsContact CB-O 3.3Å; A584-C612 WeakPolarHBondContact CB-O 3.38Å; A584-A615 PolarHBondContact N-O 3.47Å; A584-L622 HydrophobicContact CB-CD2 4.36Å; A584-L622 VanDerWaalsContact O-CD2 3.23Å; A584-L622 WeakPolarHBondContact O-CD2 3.37Å
585	T	97.2	Very high	97	Very high	41 Å²	41	20.7 Å²	20.7	25%	0.252	10%	0.103	S	C	.	.	S	Bend	trans	-128	160	177.5	70.7	0	0	0	0	112.7	E583 E587 Q588 L589	E583-T585 HydrophobicContact CB-CG2 4.04Å; E583-T585 PolarHBondContact O-N 2.66Å; T585-E587 VanDerWaalsContact C-N 3.33Å; T585-E587 WeakPolarHBondContact CB-OE2 3.49Å; T585-Q588 PolarHBondContact O-N 3.4Å; T585-Q588 WeakPolarHBondContact OG1-CG 3.22Å; T585-Q588 PolarHBondContact OG1-N 2.96Å; T585-L589 PolarHBondContact O-N 2.89Å; T585-L589 VanDerWaalsContact O-N 3.12Å
586	W	97.6	Very high	97	Very high	40 Å²	40	20.9 Å²	20.9	15%	0.152	10%	0.104	C	C	.	.	H	α-helix	trans	-68.5	-32.5	177.3	-72.1	96.4	0	0	0	112.5	Q588 L589 K590 A621 L622 R625 E723	W586-Q588 VanDerWaalsContact C-N 3.33Å; W586-Q588 PolarHBondContact O-N 3.03Å; W586-L589 HydrophobicContact CE3-CD2 3.78Å; W586-L589 HydrophobicContact CZ3-CD2 3.96Å; W586-L589 WeakPolarHBondContact O-CB 3.49Å; W586-L589 PolarHBondContact O-N 2.94Å; W586-K590 PolarHBondContact O-N 3.09Å; W586-A621 HydrophobicContact CZ2-CB 4.27Å; W586-L622 HydrophobicContact CD2-CD1 3.71Å; W586-L622 HydrophobicContact CE3-CD1 4.01Å; W586-L622 HydrophobicContact CG-CD1 3.97Å; W586-L622 HydrophobicContact CZ2-CB 4.15Å; W586-L622 HydrophobicContact CZ2-CD1 4.46Å; W586-R625 HydrophobicContact CH2-CB 4.08Å; W586-R625 HydrophobicContact CH2-CG 3.6Å; W586-R625 HydrophobicContact CZ3-CB 3.92Å; W586-R625 HydrophobicContact CZ3-CG 3.73Å; W586-E723 HydrophobicContact CD2-CB 4.02Å; W586-E723 VanDerWaalsContact CE2-CB 3.45Å; W586-E723 HydrophobicContact CG-CB 4.48Å; W586-E723 HydrophobicContact CH2-CB 4.25Å; W586-E723 HydrophobicContact CZ2-CB 3.6Å; W586-E723 HydrophobicContact CZ2-CG 3.61Å; W586-E723 PolarHBondContact NE1-OE2 3.35Å
587	E	95.7	Very high	96.9	Very high	109 Å²	109	20.7 Å²	20.7	51%	0.509	10%	0.103	S	C	.	.	H	α-helix	trans	-61.8	-42.9	174.5	-65.3	85.1	169.3	0	0	111.1	T585 K590 W591	T585-E587 VanDerWaalsContact C-N 3.33Å; T585-E587 WeakPolarHBondContact CB-OE2 3.49Å; E587-K590 WeakPolarHBondContact O-CA 3.21Å; E587-K590 WeakPolarHBondContact O-CB 3.35Å; E587-K590 PolarHBondContact O-N 2.91Å; E587-K590 VanDerWaalsContact O-N 3.11Å; E587-W591 HydrophobicContact CB-CD2 4.47Å; E587-W591 HydrophobicContact CB-CH2 4.06Å; E587-W591 HydrophobicContact CB-CZ2 3.77Å; E587-W591 HydrophobicContact CG-CZ2 4.4Å; E587-W591 PolarHBondContact O-N 2.75Å
588	Q	96.3	Very high	96.9	Very high	5 Å²	5	20.8 Å²	20.8	2%	0.023	10%	0.104	C	C	.	.	H	α-helix	trans	-77.3	-27.2	-179.3	-65.3	-154	34.2	0	0	113.6	L222 E583 T585 W586 K590 W591 S592 W626	L222-Q588 VanDerWaalsContact O-CD 3.27Å; L222-Q588 PolarHBondContact O-NE2 3.34Å; L222-Q588 PolarHBondContact O-OE1 2.62Å; E583-Q588 VanDerWaalsContact CG-NE2 3.25Å; E583-Q588 PolarHBondContact OE2-NE2 2.77Å; T585-Q588 PolarHBondContact O-N 3.4Å; T585-Q588 WeakPolarHBondContact OG1-CG 3.22Å; T585-Q588 PolarHBondContact OG1-N 2.96Å; W586-Q588 VanDerWaalsContact C-N 3.33Å; W586-Q588 PolarHBondContact O-N 3.03Å; Q588-K590 PolarHBondContact O-N 3.25Å; Q588-W591 HydrophobicContact CG-CE3 3.68Å; Q588-W591 HydrophobicContact CG-CZ3 3.89Å; Q588-W591 PolarHBondContact O-N 3.47Å; Q588-S592 WeakPolarHBondContact O-CB 3.43Å; Q588-S592 PolarHBondContact O-N 3.39Å; Q588-W626 HydrophobicContact CB-CH2 4.18Å
589	L	97.8	Very high	96.9	Very high	1 Å²	1	20.7 Å²	20.7	1%	0.005	10%	0.103	C	C	.	.	H	α-helix	trans	-53.7	-46.3	162.5	174	73	0	0	0	110.2	T585 W586 S592 L622 R625 W626 L629 I721	T585-L589 PolarHBondContact O-N 2.89Å; T585-L589 VanDerWaalsContact O-N 3.12Å; W586-L589 HydrophobicContact CE3-CD2 3.78Å; W586-L589 HydrophobicContact CZ3-CD2 3.96Å; W586-L589 WeakPolarHBondContact O-CB 3.49Å; W586-L589 PolarHBondContact O-N 2.94Å; L589-S592 PolarHBondContact O-OG 2.93Å; L589-L622 HydrophobicContact CB-CD1 4.18Å; L589-L622 HydrophobicContact CD2-CD1 4.22Å; L589-R625 HydrophobicContact CD2-CB 4.12Å; L589-W626 HydrophobicContact CB-CD2 4.33Å; L589-W626 HydrophobicContact CB-CE3 4.27Å; L589-W626 HydrophobicContact CB-CZ3 4.48Å; L589-W626 HydrophobicContact CD1-CB 3.67Å; L589-W626 HydrophobicContact CD1-CD2 3.67Å; L589-W626 HydrophobicContact CD1-CE3 4.31Å; L589-W626 HydrophobicContact CD1-CG 3.36Å; L589-L629 HydrophobicContact CD1-CB 4.37Å; L589-L629 HydrophobicContact CD1-CD2 3.66Å; L589-L629 HydrophobicContact CG-CD2 4.27Å; L589-I721 HydrophobicContact CD2-CB 4.27Å; L589-I721 HydrophobicContact CD2-CG2 4.22Å; L589-I721 HydrophobicContact CG-CG2 4.31Å
590	K	96.9	Very high	97	Very high	56 Å²	56	20.5 Å²	20.5	24%	0.243	10%	0.103	C	C	.	.	H	α-helix	trans	-66.1	-50.9	175.6	-178.9	-176.4	177.5	-169.7	0	111.8	W586 E587 Q588 S592 I593 D706 I721	W586-K590 PolarHBondContact O-N 3.09Å; E587-K590 WeakPolarHBondContact O-CA 3.21Å; E587-K590 WeakPolarHBondContact O-CB 3.35Å; E587-K590 PolarHBondContact O-N 2.91Å; E587-K590 VanDerWaalsContact O-N 3.11Å; Q588-K590 PolarHBondContact O-N 3.25Å; K590-S592 PolarHBondContact O-N 2.71Å; K590-I593 WeakPolarHBondContact O-CB 3.34Å; K590-I593 PolarHBondContact O-N 3.24Å; K590-D706 WeakPolarHBondContact CE-OD1 3.22Å; K590-D706 IonicContact NZ-OD1 2.71Å; K590-D706 PolarHBondContact NZ-OD1 3.36Å; K590-D706 IonicContact NZ-OD2 3.26Å; K590-I721 HydrophobicContact CB-CD1 4.11Å; K590-I721 HydrophobicContact CD-CD1 3.99Å; K590-I721 HydrophobicContact CG-CD1 3.81Å
591	W	95.9	Very high	97.2	Very high	35 Å²	35	20.6 Å²	20.6	13%	0.133	10%	0.103	C	C	.	.	H	α-helix	trans	-64.8	-24.6	-174.3	-56.9	-21	0	0	0	113.5	T200 H202 N224 E587 Q588 I593 V594 G595	T200-W591 HydrophobicContact CG2-CD2 4.31Å; T200-W591 HydrophobicContact CG2-CE3 3.44Å; T200-W591 VanDerWaalsContact CG2-CE3 3.44Å; T200-W591 HydrophobicContact CG2-CZ3 3.67Å; H202-W591 AromaticContact CD2-CD2 3.92Å; H202-W591 AromaticContact CD2-CE2 3.51Å; H202-W591 AromaticContact CD2-CH2 3.82Å; H202-W591 AromaticContact CD2-CZ2 3.46Å; H202-W591 VanDerWaalsContact CD2-CZ2 3.46Å; H202-W591 WeakPolarHBondContact CD2-CZ2 3.47Å; H202-W591 AromaticContact CD2-NE1 3.97Å; H202-W591 AromaticContact CE1-CZ2 3.87Å; H202-W591 AromaticContact CG-CE2 3.86Å; H202-W591 AromaticContact CG-CZ2 3.82Å; H202-W591 AromaticContact CG-NE1 3.95Å; H202-W591 AromaticContact NE2-CH2 3.51Å; H202-W591 AromaticContact NE2-CZ2 3.54Å; N224-W591 HydrophobicContact CB-CH2 3.93Å; N224-W591 HydrophobicContact CB-CZ3 4.34Å; E587-W591 HydrophobicContact CB-CD2 4.47Å; E587-W591 HydrophobicContact CB-CH2 4.06Å; E587-W591 HydrophobicContact CB-CZ2 3.77Å; E587-W591 HydrophobicContact CG-CZ2 4.4Å; E587-W591 PolarHBondContact O-N 2.75Å; Q588-W591 HydrophobicContact CG-CE3 3.68Å; Q588-W591 HydrophobicContact CG-CZ3 3.89Å; Q588-W591 PolarHBondContact O-N 3.47Å; W591-I593 PolarHBondContact O-N 3.18Å; W591-V594 WeakPolarHBondContact O-CB 3.18Å; W591-V594 PolarHBondContact O-N 3.35Å; W591-G595 PolarHBondContact O-N 3.43Å; W591-G595 VanDerWaalsContact O-N 3.08Å
592	S	97.6	Very high	97.3	Very high	5 Å²	5	19 Å²	19	4%	0.035	10%	0.095	C	C	.	.	H	α-helix	trans	-53.7	-35	171.2	73.7	0	0	0	0	113	Q588 L589 K590 I596 Y633	Q588-S592 WeakPolarHBondContact O-CB 3.43Å; Q588-S592 PolarHBondContact O-N 3.39Å; L589-S592 PolarHBondContact O-OG 2.93Å; K590-S592 PolarHBondContact O-N 2.71Å; S592-I596 WeakPolarHBondContact O-CB 3.39Å; S592-I596 WeakPolarHBondContact O-CD1 3.25Å; S592-I596 VanDerWaalsContact O-CG1 3.22Å; S592-I596 WeakPolarHBondContact O-CG1 3.48Å; S592-I596 PolarHBondContact O-N 3.4Å; S592-I596 VanDerWaalsContact O-N 3.11Å; S592-Y633 VanDerWaalsContact CB-OH 3.28Å; S592-Y633 WeakPolarHBondContact CB-OH 3.4Å; S592-Y633 PolarHBondContact OG-OH 2.9Å
593	I	98.3	Very high	97.4	Very high	3 Å²	3	19.2 Å²	19.2	2%	0.015	10%	0.097	C	C	.	.	H	α-helix	trans	-67.1	-43.3	179.4	-56	172.5	0	0	0	109.4	K590 W591 I596 M597 L629 D706 F709 P719 I721	K590-I593 WeakPolarHBondContact O-CB 3.34Å; K590-I593 PolarHBondContact O-N 3.24Å; W591-I593 PolarHBondContact O-N 3.18Å; I593-I596 PolarHBondContact O-N 3.29Å; I593-M597 HydrophobicContact CG2-CE 4.12Å; I593-M597 HydrophobicContact CG2-SD 4.4Å; I593-M597 WeakPolarHBondContact O-CB 3.41Å; I593-M597 VanDerWaalsContact O-CG 3.32Å; I593-M597 WeakPolarHBondContact O-CG 3.32Å; I593-M597 PolarHBondContact O-N 2.75Å; I593-L629 HydrophobicContact CD1-CD2 4.04Å; I593-L629 HydrophobicContact CG1-CD1 4.37Å; I593-L629 HydrophobicContact CG1-CD2 3.87Å; I593-D706 WeakPolarHBondContact CG2-O 3.43Å; I593-F709 HydrophobicContact CG2-CD1 3.73Å; I593-F709 HydrophobicContact CG2-CE1 4.41Å; I593-P719 HydrophobicContact CD1-CG 3.67Å; I593-I721 HydrophobicContact CD1-CG2 4.3Å
594	V	97.1	Very high	97.5	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-60.5	-53.4	178.2	-178.9	0	0	0	0	110.8	A201 F204 W591 I596 M597 E598 D706	A201-V594 HydrophobicContact CB-CG1 3.64Å; F204-V594 HydrophobicContact CB-CG1 4.25Å; F204-V594 HydrophobicContact CD2-CG1 4.43Å; W591-V594 WeakPolarHBondContact O-CB 3.18Å; W591-V594 PolarHBondContact O-N 3.35Å; V594-I596 VanDerWaalsContact C-N 3.33Å; V594-I596 PolarHBondContact O-N 3.38Å; V594-M597 WeakPolarHBondContact O-CB 2.98Å; V594-M597 PolarHBondContact O-N 3.37Å; V594-E598 HydrophobicContact CG1-CG 4.49Å; V594-E598 WeakPolarHBondContact CG1-OE1 3.48Å; V594-E598 WeakPolarHBondContact O-CG 3.24Å; V594-E598 PolarHBondContact O-N 3.19Å; V594-D706 HydrophobicContact CG2-CB 4.08Å
595	G	96.8	Very high	97.6	Very high	12 Å²	12	16 Å²	16	12%	0.124	8%	0.08	C	C	.	.	H	α-helix	trans	-60.3	-40.6	-179.4	0	0	0	0	0	112.9	W591 M597 E598 Y599	W591-G595 PolarHBondContact O-N 3.43Å; W591-G595 VanDerWaalsContact O-N 3.08Å; G595-M597 PolarHBondContact O-N 2.97Å; G595-E598 PolarHBondContact O-N 2.94Å; G595-Y599 WeakPolarHBondContact O-CD2 3.46Å; G595-Y599 PolarHBondContact O-N 3.49Å
596	I	98.5	Very high	97.7	Very high	5 Å²	5	14 Å²	14	3%	0.026	7%	0.068	C	C	.	.	H	α-helix	trans	-65.6	-40.1	178	-71.7	170	0	0	0	111.7	L579 S592 I593 V594 N600 V607 Y633 I689	L579-I596 HydrophobicContact CD1-CG1 4.04Å; S592-I596 WeakPolarHBondContact O-CB 3.39Å; S592-I596 WeakPolarHBondContact O-CD1 3.25Å; S592-I596 VanDerWaalsContact O-CG1 3.22Å; S592-I596 WeakPolarHBondContact O-CG1 3.48Å; S592-I596 PolarHBondContact O-N 3.4Å; S592-I596 VanDerWaalsContact O-N 3.11Å; I593-I596 PolarHBondContact O-N 3.29Å; V594-I596 VanDerWaalsContact C-N 3.33Å; V594-I596 PolarHBondContact O-N 3.38Å; I596-N600 PolarHBondContact O-N 3.31Å; I596-N600 VanDerWaalsContact O-N 3.15Å; I596-N600 PolarHBondContact O-ND2 3.07Å; I596-V607 HydrophobicContact CB-CG1 4.27Å; I596-V607 HydrophobicContact CG1-CG1 4.19Å; I596-V607 HydrophobicContact CG2-CG1 4.03Å; I596-Y633 HydrophobicContact CD1-CD1 3.15Å; I596-Y633 HydrophobicContact CD1-CD2 4.05Å; I596-Y633 HydrophobicContact CD1-CE1 3.33Å; I596-Y633 HydrophobicContact CD1-CE2 4.25Å; I596-Y633 HydrophobicContact CD1-CG 3.54Å; I596-I689 HydrophobicContact CG2-CB 4.06Å; I596-I689 HydrophobicContact CG2-CG1 3.75Å; I596-I689 HydrophobicContact CG2-CG2 4.01Å
597	M	98.1	Very high	97.7	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-64.3	-42.4	175	-77.1	-171.5	-53.3	0	0	112	F204 I593 V594 G595 N600 M601 I689 P691 D706 F709	F204-M597 HydrophobicContact CB-CE 3.88Å; F204-M597 HydrophobicContact CD1-CE 4.2Å; F204-M597 HydrophobicContact CD2-CB 4.26Å; F204-M597 HydrophobicContact CD2-CE 4.17Å; F204-M597 HydrophobicContact CE2-CB 4.05Å; F204-M597 HydrophobicContact CG-CE 3.83Å; F204-M597 HydrophobicContact CZ-CB 4.42Å; I593-M597 HydrophobicContact CG2-CE 4.12Å; I593-M597 HydrophobicContact CG2-SD 4.4Å; I593-M597 WeakPolarHBondContact O-CB 3.41Å; I593-M597 VanDerWaalsContact O-CG 3.32Å; I593-M597 WeakPolarHBondContact O-CG 3.32Å; I593-M597 PolarHBondContact O-N 2.75Å; V594-M597 WeakPolarHBondContact O-CB 2.98Å; V594-M597 PolarHBondContact O-N 3.37Å; G595-M597 PolarHBondContact O-N 2.97Å; M597-N600 PolarHBondContact O-N 2.78Å; M597-M601 PolarHBondContact O-N 3.5Å; M597-M601 VanDerWaalsContact O-N 3.15Å; M597-I689 HydrophobicContact CG-CG2 4.22Å; M597-P691 HydrophobicContact CB-CG 3.98Å; M597-P691 HydrophobicContact CG-CG 3.98Å; M597-P691 HydrophobicContact SD-CB 3.66Å; M597-P691 HydrophobicContact SD-CG 3.71Å; M597-D706 HydrophobicContact CE-CB 4.35Å; M597-F709 HydrophobicContact CG-CB 4.45Å; M597-F709 HydrophobicContact SD-CB 4.33Å
598	E	97.7	Very high	97.9	Very high	3 Å²	3	7 Å²	7	1%	0.014	4%	0.037	C	C	.	.	H	α-helix	trans	-62	-49.2	177.4	-73.6	177.1	-175.1	0	0	111.8	A201 F204 R206 V594 G595 N600 M601 F602	A201-E598 WeakPolarHBondContact CB-OE1 3.18Å; F204-E598 HydrophobicContact CD2-CG 3.78Å; F204-E598 HydrophobicContact CE2-CG 3.69Å; R206-E598 IonicContact CZ-OE1 2.57Å; R206-E598 IonicContact NH1-OE1 3.36Å; R206-E598 PolarHBondContact NH1-OE1 3.38Å; R206-E598 IonicContact NH2-OE1 3.54Å; R206-E598 PolarHBondContact NH2-OE1 3.3Å; R206-E598 IonicContact NH2-OE2 2.83Å; R206-E598 PolarHBondContact NH2-OE2 3.02Å; R206-E598 VanDerWaalsContact NH2-OE2 3.11Å; V594-E598 HydrophobicContact CG1-CG 4.49Å; V594-E598 WeakPolarHBondContact CG1-OE1 3.48Å; V594-E598 WeakPolarHBondContact O-CG 3.24Å; V594-E598 PolarHBondContact O-N 3.19Å; G595-E598 PolarHBondContact O-N 2.94Å; E598-N600 VanDerWaalsContact C-N 3.26Å; E598-N600 PolarHBondContact O-N 2.98Å; E598-M601 CarbonylContact O-C 3.54Å; E598-M601 WeakPolarHBondContact O-CA 3.33Å; E598-M601 VanDerWaalsContact O-CB 3.29Å; E598-M601 WeakPolarHBondContact O-CB 3.3Å; E598-M601 PolarHBondContact O-N 2.96Å; E598-F602 HydrophobicContact CB-CD2 4.33Å; E598-F602 HydrophobicContact CB-CE2 3.69Å; E598-F602 HydrophobicContact CB-CZ 4.05Å; E598-F602 WeakPolarHBondContact O-CD2 3.29Å; E598-F602 WeakPolarHBondContact O-CG 3.3Å; E598-F602 PolarHBondContact O-N 2.86Å
599	Y	98.4	Very high	97.9	Very high	1 Å²	1	6.9 Å²	6.9	0%	0.004	4%	0.037	C	C	.	.	H	α-helix	trans	-65.5	-27.8	178.9	-90.3	-75.6	0	0	0	113.8	E198 N567 H577 L579 G595 F602 G603 I604 V607	E198-Y599 HydrophobicContact CB-CE2 4.45Å; E198-Y599 HydrophobicContact CG-CE2 3.87Å; E198-Y599 PolarHBondContact OE2-OH 3.17Å; N567-Y599 PolarHBondContact ND2-OH 2.72Å; N567-Y599 WeakPolarHBondContact OD1-CE1 3.48Å; N567-Y599 PolarHBondContact OD1-OH 2.88Å; H577-Y599 AromaticContact CD2-CD1 3.97Å; H577-Y599 AromaticContact CD2-CD2 3.85Å; H577-Y599 AromaticContact CD2-CE1 3.53Å; H577-Y599 AromaticContact CD2-CE2 3.37Å; H577-Y599 WeakPolarHBondContact CD2-CE2 3.36Å; H577-Y599 AromaticContact CD2-CZ 3.19Å; H577-Y599 AromaticContact NE2-CE1 3.98Å; H577-Y599 AromaticContact NE2-CE2 3.4Å; H577-Y599 WeakPolarHBondContact NE2-CE2 3.49Å; H577-Y599 AromaticContact NE2-CZ 3.2Å; H577-Y599 PolarHBondContact NE2-OH 2.82Å; L579-Y599 HydrophobicContact CD2-CD2 3.53Å; L579-Y599 HydrophobicContact CD2-CE2 3.71Å; G595-Y599 WeakPolarHBondContact O-CD2 3.46Å; G595-Y599 PolarHBondContact O-N 3.49Å; Y599-F602 HydrophobicContact CD1-CD2 4.16Å; Y599-F602 HydrophobicContact CG-CD2 4.29Å; Y599-F602 PolarHBondContact O-N 3.14Å; Y599-G603 PolarHBondContact O-N 3.31Å; Y599-I604 HydrophobicContact CD1-CB 3.93Å; Y599-I604 HydrophobicContact CD1-CD1 3.97Å; Y599-I604 HydrophobicContact CD1-CG1 4.17Å; Y599-I604 HydrophobicContact CE1-CD1 3.99Å; Y599-I604 CarbonylContact O-C 3.5Å; Y599-I604 PolarHBondContact O-N 3.42Å; Y599-V607 HydrophobicContact CD2-CG2 4.24Å; Y599-V607 HydrophobicContact CG-CG2 4.19Å
600	N	98.5	Very high	98	Very high	3 Å²	3	6.9 Å²	6.9	2%	0.016	4%	0.037	C	C	.	.	H	α-helix	trans	-67.5	-36.6	170	-91	-92.7	0	0	0	112.3	I596 M597 E598 G603 P605 P687 V688 I689	I596-N600 PolarHBondContact O-N 3.31Å; I596-N600 VanDerWaalsContact O-N 3.15Å; I596-N600 PolarHBondContact O-ND2 3.07Å; M597-N600 PolarHBondContact O-N 2.78Å; E598-N600 VanDerWaalsContact C-N 3.26Å; E598-N600 PolarHBondContact O-N 2.98Å; N600-G603 PolarHBondContact O-N 2.98Å; N600-P605 WeakPolarHBondContact OD1-CA 3.24Å; N600-P605 WeakPolarHBondContact OD1-CB 3.46Å; N600-P687 HydrophobicContact CB-CB 4.18Å; N600-V688 PolarHBondContact OD1-N 3.44Å; N600-I689 HydrophobicContact CB-CB 4.4Å; N600-I689 VanDerWaalsContact CB-O 3.23Å; N600-I689 WeakPolarHBondContact CB-O 3.09Å; N600-I689 WeakPolarHBondContact ND2-CB 3.4Å; N600-I689 PolarHBondContact OD1-N 3.06Å; N600-I689 PolarHBondContact OD1-O 3.38Å
601	M	97.6	Very high	98.1	Very high	1 Å²	1	4.3 Å²	4.3	1%	0.005	3%	0.026	C	C	.	.	H	α-helix	trans	-69.2	-34.4	171.4	177.5	-178.7	74.6	0	0	112.2	F235 L237 M597 E598 G603 M694	F235-M601 HydrophobicContact CD1-CE 4.32Å; F235-M601 HydrophobicContact CD1-CG 4.48Å; F235-M601 HydrophobicContact CE1-CE 4.22Å; F235-M601 HydrophobicContact CE1-CG 3.77Å; F235-M601 HydrophobicContact CE1-SD 4.04Å; L237-M601 HydrophobicContact CB-SD 3.59Å; L237-M601 VanDerWaalsContact CB-SD 3.59Å; L237-M601 HydrophobicContact CD1-CG 4.44Å; L237-M601 HydrophobicContact CD1-SD 4.02Å; L237-M601 HydrophobicContact CG-SD 4.42Å; M597-M601 PolarHBondContact O-N 3.5Å; M597-M601 VanDerWaalsContact O-N 3.15Å; E598-M601 CarbonylContact O-C 3.54Å; E598-M601 WeakPolarHBondContact O-CA 3.33Å; E598-M601 VanDerWaalsContact O-CB 3.29Å; E598-M601 WeakPolarHBondContact O-CB 3.3Å; E598-M601 PolarHBondContact O-N 2.96Å; M601-G603 PolarHBondContact O-N 3.48Å; M601-M694 HydrophobicContact CB-CE 3.96Å; M601-M694 HydrophobicContact CG-CE 4.3Å
602	F	98.2	Very high	98.2	Very high	2 Å²	2	2.6 Å²	2.6	1%	0.009	2%	0.019	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.5	-3.2	177.5	-54.8	-36.6	0	0	0	114.3	Q233 F235 E598 Y599	Q233-F602 HydrophobicContact CB-CD1 3.99Å; Q233-F602 HydrophobicContact CB-CD2 3.95Å; Q233-F602 HydrophobicContact CB-CE1 4.01Å; Q233-F602 HydrophobicContact CB-CE2 3.97Å; Q233-F602 HydrophobicContact CB-CG 3.97Å; Q233-F602 HydrophobicContact CB-CZ 4.01Å; Q233-F602 HydrophobicContact CG-CB 4.23Å; Q233-F602 HydrophobicContact CG-CD1 4.4Å; Q233-F602 HydrophobicContact CG-CD2 3.64Å; Q233-F602 HydrophobicContact CG-CE2 4.03Å; Q233-F602 HydrophobicContact CG-CG 3.86Å; F235-F602 AromaticContact CD1-CD1 3.98Å; F235-F602 HydrophobicContact CD1-CD1 3.98Å; F235-F602 HydrophobicContact CD1-CE1 4.1Å; E598-F602 HydrophobicContact CB-CD2 4.33Å; E598-F602 HydrophobicContact CB-CE2 3.69Å; E598-F602 HydrophobicContact CB-CZ 4.05Å; E598-F602 WeakPolarHBondContact O-CD2 3.29Å; E598-F602 WeakPolarHBondContact O-CG 3.3Å; E598-F602 PolarHBondContact O-N 2.86Å; Y599-F602 HydrophobicContact CD1-CD2 4.16Å; Y599-F602 HydrophobicContact CG-CD2 4.29Å; Y599-F602 PolarHBondContact O-N 3.14Å
603	G	98.3	Very high	98.2	Very high	7 Å²	7	2.4 Å²	2.4	7%	0.072	2%	0.018	C	C	.	.	T	Hydrogen-bonded Turn	trans	83.6	24.1	179.5	0	0	0	0	0	114.8	G572 Y599 N600 M601 P605	G572-G603 WeakPolarHBondContact CA-O 3.43Å; Y599-G603 PolarHBondContact O-N 3.31Å; N600-G603 PolarHBondContact O-N 2.98Å; M601-G603 PolarHBondContact O-N 3.48Å; G603-P605 VanDerWaalsContact C-CD 3.41Å; G603-P605 WeakPolarHBondContact O-CD 3.49Å
604	I	98.7	Very high	98.1	Very high	2 Å²	2	3.3 Å²	3.3	1%	0.01	2%	0.022	C	C	.	.			trans	-120.9	71.1	171.4	-42.9	-172	0	0	0	109.1	N567 T571 H577 Y599 M606	N567-I604 HydrophobicContact CB-CD1 4.22Å; T571-I604 HydrophobicContact CG2-CD1 4.46Å; H577-I604 HydrophobicContact CB-CG2 3.96Å; Y599-I604 HydrophobicContact CD1-CB 3.93Å; Y599-I604 HydrophobicContact CD1-CD1 3.97Å; Y599-I604 HydrophobicContact CD1-CG1 4.17Å; Y599-I604 HydrophobicContact CE1-CD1 3.99Å; Y599-I604 CarbonylContact O-C 3.5Å; Y599-I604 PolarHBondContact O-N 3.42Å; I604-M606 VanDerWaalsContact C-N 3.33Å; I604-M606 PolarHBondContact O-N 2.85Å
605	P	98.6	Very high	98.1	Very high	4 Å²	4	4.2 Å²	4.2	3%	0.026	3%	0.029	C	C	.	.			trans	-68.9	-26.6	-172.1	28.6	-38.3	0	0	0	114.2	P300 N600 G603 V607 P634 F678 S681 V688	P300-P605 HydrophobicContact CB-CG 3.82Å; P300-P605 HydrophobicContact CG-CG 4.18Å; N600-P605 WeakPolarHBondContact OD1-CA 3.24Å; N600-P605 WeakPolarHBondContact OD1-CB 3.46Å; G603-P605 VanDerWaalsContact C-CD 3.41Å; G603-P605 WeakPolarHBondContact O-CD 3.49Å; P605-V607 VanDerWaalsContact C-N 3.32Å; P605-V607 PolarHBondContact O-N 2.85Å; P605-P634 WeakPolarHBondContact O-CB 3.27Å; P605-P634 WeakPolarHBondContact O-CG 3.24Å; P605-F678 HydrophobicContact CB-CE1 4.02Å; P605-F678 HydrophobicContact CG-CD1 4.31Å; P605-F678 HydrophobicContact CG-CE1 3.85Å; P605-S681 WeakPolarHBondContact CG-OG 3.3Å; P605-V688 HydrophobicContact CB-CB 3.96Å; P605-V688 HydrophobicContact CB-CG2 3.66Å; P605-V688 HydrophobicContact CG-CG2 4.39Å
606	M	98.8	Very high	98	Very high	0 Å²	0	5.8 Å²	5.8	0%	0	5%	0.045	C	C	.	.	S	Bend	trans	-81.4	83.5	174.6	-172.6	65.4	-174.1	0	0	109.1	S307 L308 F561 F576 H577 I604 P634 L635 F678	S307-M606 WeakPolarHBondContact O-CE 3.27Å; L308-M606 HydrophobicContact CD2-CE 4.39Å; L308-M606 HydrophobicContact CD2-SD 3.98Å; F561-M606 HydrophobicContact CE2-CE 4.27Å; F576-M606 HydrophobicContact CB-CB 3.84Å; F576-M606 HydrophobicContact CB-CG 3.72Å; F576-M606 WeakPolarHBondContact CB-O 3.4Å; F576-M606 HydrophobicContact CD1-CB 3.25Å; F576-M606 HydrophobicContact CD1-CG 3.7Å; F576-M606 HydrophobicContact CD2-CB 4.48Å; F576-M606 HydrophobicContact CD2-CG 4Å; F576-M606 HydrophobicContact CE1-CB 3.84Å; F576-M606 HydrophobicContact CE1-CG 4.26Å; F576-M606 HydrophobicContact CG-CB 3.59Å; F576-M606 HydrophobicContact CG-CG 3.5Å; H577-M606 PolarHBondContact N-O 2.71Å; H577-M606 VanDerWaalsContact N-O 3.09Å; I604-M606 VanDerWaalsContact C-N 3.33Å; I604-M606 PolarHBondContact O-N 2.85Å; M606-P634 WeakPolarHBondContact CE-O 3.32Å; M606-P634 HydrophobicContact SD-CB 4.22Å; M606-L635 HydrophobicContact CE-CB 3.97Å; M606-L635 HydrophobicContact CE-CD1 3.85Å; M606-F678 HydrophobicContact CB-CE1 3.76Å; M606-F678 HydrophobicContact CB-CZ 3.85Å; M606-F678 HydrophobicContact CG-CZ 4.36Å; M606-F678 HydrophobicContact SD-CE1 4.32Å; M606-F678 HydrophobicContact SD-CE2 4.23Å; M606-F678 HydrophobicContact SD-CZ 3.62Å
607	V	98.7	Very high	97.9	Very high	0 Å²	0	10.2 Å²	10.2	0%	0	7%	0.069	C	C	.	.			trans	-138.5	155.1	-176.4	63.1	0	0	0	0	110.9	H577 L579 I596 Y599 P605 P634 L635	H577-V607 HydrophobicContact CB-CG2 4.41Å; H577-V607 VanDerWaalsContact O-CA 3.3Å; H577-V607 WeakPolarHBondContact O-CA 3.35Å; L579-V607 HydrophobicContact CD2-CG2 3.77Å; L579-V607 HydrophobicContact CG-CG2 4.15Å; I596-V607 HydrophobicContact CB-CG1 4.27Å; I596-V607 HydrophobicContact CG1-CG1 4.19Å; I596-V607 HydrophobicContact CG2-CG1 4.03Å; Y599-V607 HydrophobicContact CD2-CG2 4.24Å; Y599-V607 HydrophobicContact CG-CG2 4.19Å; P605-V607 VanDerWaalsContact C-N 3.32Å; P605-V607 PolarHBondContact O-N 2.85Å; V607-P634 VanDerWaalsContact O-CD 3.27Å; V607-P634 WeakPolarHBondContact O-CD 3.42Å; V607-L635 PolarHBondContact O-N 3.43Å
608	G	98.4	Very high	97.9	Very high	1 Å²	1	10.7 Å²	10.7	1%	0.01	7%	0.072	C	C	.	.			trans	-165.8	163.9	176.1	0	0	0	0	0	112.1	W578 L579 L635	W578-G608 CarbonylContact C-O 3.39Å; W578-G608 VanDerWaalsContact CA-O 3.24Å; W578-G608 WeakPolarHBondContact CA-O 3.26Å; L579-G608 PolarHBondContact N-O 3.43Å; G608-L635 WeakPolarHBondContact CA-O 3.39Å
609	A	98.1	Very high	97.9	Very high	3 Å²	3	13.7 Å²	13.7	3%	0.025	9%	0.091	C	C	.	.			trans	-99.3	158	169	0	0	0	0	0	110.2	L579 I611 W626 Y633	L579-A609 HydrophobicContact CD1-CB 4.25Å; A609-I611 PolarHBondContact O-N 2.91Å; A609-I611 VanDerWaalsContact O-N 3.1Å; A609-W626 HydrophobicContact CB-CZ2 4.45Å; A609-Y633 HydrophobicContact CB-CE2 3.98Å
610	D	98.3	Very high	97.9	Very high	1 Å²	1	17.5 Å²	17.5	1%	0.005	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	112.8	173.1	-67.6	-37.4	0	0	0	110.1	N582 C612 G613 F614 R637 H639	N582-D610 PolarHBondContact ND2-O 2.87Å; N582-D610 WeakPolarHBondContact OD1-CB 3.41Å; D610-C612 PolarHBondContact O-N 2.91Å; D610-G613 PolarHBondContact O-N 2.99Å; D610-F614 HydrophobicContact CB-CB 4.32Å; D610-R637 IonicContact OD1-CZ 2.73Å; D610-R637 VanDerWaalsContact OD1-CZ 3.23Å; D610-R637 IonicContact OD1-NE 3.72Å; D610-R637 PolarHBondContact OD1-NE 3.35Å; D610-R637 IonicContact OD1-NH2 3.55Å; D610-R637 PolarHBondContact OD1-NH2 2.78Å; D610-R637 IonicContact OD2-NH2 3.62Å; D610-R637 PolarHBondContact OD2-NH2 2.97Å; D610-H639 HydrophobicContact CB-CB 4.06Å; D610-H639 WeakPolarHBondContact OD1-CB 3.35Å; D610-H639 IonicContact OD2-CD2 3.18Å; D610-H639 PolarHBondContact OD2-CD2 3.03Å
611	I	98.7	Very high	97.9	Very high	2 Å²	2	19.5 Å²	19.5	1%	0.01	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.5	128.6	-175.3	-63.7	169.4	0	0	0	108.7	F310 A609 G613 W626 Y633 R637 S638 Q647	F310-I611 HydrophobicContact CE2-CD1 4.1Å; A609-I611 PolarHBondContact O-N 2.91Å; A609-I611 VanDerWaalsContact O-N 3.1Å; I611-G613 VanDerWaalsContact C-N 3.3Å; I611-W626 HydrophobicContact CG2-CB 4.32Å; I611-W626 HydrophobicContact CG2-CG 4.27Å; I611-Y633 HydrophobicContact CG1-CD2 4.22Å; I611-Y633 HydrophobicContact CG1-CE2 4.15Å; I611-R637 WeakPolarHBondContact CB-O 3.5Å; I611-R637 VanDerWaalsContact CG1-O 3.26Å; I611-R637 WeakPolarHBondContact CG1-O 3.27Å; I611-R637 PolarHBondContact N-O 3.28Å; I611-S638 PolarHBondContact O-OG 3.4Å; I611-Q647 PolarHBondContact O-NE2 3.3Å
612	C	98.4	Very high	97.9	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	78.3	-0.1	-173	-48.8	0	0	0	0	116	A584 D610 T618 C623 W626 Q647	A584-C612 VanDerWaalsContact CB-O 3.3Å; A584-C612 WeakPolarHBondContact CB-O 3.38Å; D610-C612 PolarHBondContact O-N 2.91Å; C612-T618 HydrophobicContact CB-CG2 4.06Å; C612-T618 VanDerWaalsContact O-CB 3.27Å; C612-T618 WeakPolarHBondContact O-CB 3.31Å; C612-T618 PolarHBondContact O-OG1 3.49Å; C612-C623 HydrophobicContact CB-CB 3.67Å; C612-C623 WeakPolarHBondContact CB-SG 3.34Å; C612-C623 WeakPolarHBondContact SG-CA 3.19Å; C612-C623 WeakPolarHBondContact SG-CB 3.42Å; C612-C623 PolarHBondContact SG-O 3.49Å; C612-C623 CovalentContact SG-SG 2.03Å; C612-C623 PolarHBondContact SG-SG 3.23Å; C612-W626 VanDerWaalsContact C-CE3 3.43Å; C612-W626 VanDerWaalsContact N-CG 3.31Å; C612-Q647 HydrophobicContact CB-CB 4.3Å; C612-Q647 HydrophobicContact CB-CG 4.2Å
613	G	97.5	Very high	97.9	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	13%	0.125	C	C	.	.			trans	89.2	141.8	179.5	0	0	0	0	0	112.4	D610 I611 Q647	D610-G613 PolarHBondContact O-N 2.99Å; I611-G613 VanDerWaalsContact C-N 3.3Å; G613-Q647 PolarHBondContact O-NE2 3.11Å
614	F	97.3	Very high	97.9	Very high	23 Å²	23	19.4 Å²	19.4	10%	0.101	12%	0.123	C	C	.	.	S	Bend	trans	-80.3	-48.6	176.7	167.3	-98.7	0	0	0	112.8	W315 D581 N582 D610 H639 S641	W315-F614 HydrophobicContact CE3-CE2 4.32Å; W315-F614 AromaticContact CE3-CZ 3.92Å; W315-F614 HydrophobicContact CE3-CZ 3.92Å; W315-F614 HydrophobicContact CZ3-CZ 4.41Å; D581-F614 HydrophobicContact CB-CD1 3.49Å; D581-F614 VanDerWaalsContact CB-CD1 3.49Å; D581-F614 HydrophobicContact CB-CE1 3.81Å; D581-F614 HydrophobicContact CB-CG 4.24Å; D581-F614 VanDerWaalsContact CG-CE1 3.5Å; D581-F614 WeakPolarHBondContact OD2-CE1 3.3Å; N582-F614 WeakPolarHBondContact O-CA 3.48Å; N582-F614 WeakPolarHBondContact O-CB 3.42Å; N582-F614 PolarHBondContact O-N 3.29Å; N582-F614 PolarHBondContact OD1-N 2.9Å; D610-F614 HydrophobicContact CB-CB 4.32Å; F614-H639 AromaticContact CD2-CD2 3.66Å; F614-H639 AromaticContact CD2-NE2 3.65Å; F614-H639 AromaticContact CE2-NE2 3.59Å; F614-S641 WeakPolarHBondContact O-CB 3.09Å; F614-S641 PolarHBondContact O-N 3.11Å; F614-S641 PolarHBondContact O-OG 3.34Å; F614-S641 VanDerWaalsContact O-OG 3.08Å
615	A	96	Very high	97.9	Very high	19 Å²	19	20.1 Å²	20.1	16%	0.157	13%	0.125	C	C	.	.	B	Isolated β-bridge	trans	-96.4	137.4	-174.6	0	0	0	0	0	112.1	N582 E583 A584	N582-A615 PolarHBondContact O-N 2.88Å; E583-A615 WeakPolarHBondContact CA-O 3.44Å; E583-A615 HydrophobicContact CG-CB 4.29Å; A584-A615 PolarHBondContact N-O 3.47Å
616	G	95	Very high	97.9	Very high	45 Å²	45	19.9 Å²	19.9	46%	0.464	12%	0.124	S	C	.	.	S	Bend	trans	81.1	176.7	-178.1	0	0	0	0	0	113.7	A644	G616-A644 WeakPolarHBondContact O-CB 3.42Å
617	N	97.6	Very high	97.9	Very high	97 Å²	97	20.1 Å²	20.1	52%	0.519	13%	0.126	S	C	.	.			trans	-91.2	123.8	177.1	-72.9	-29.3	0	0	0	110	A644 V645	N617-A644 WeakPolarHBondContact OD1-CA 3.26Å; N617-V645 HydrophobicContact CB-CG1 4.49Å; N617-V645 HydrophobicContact CB-CG2 4.02Å; N617-V645 PolarHBondContact OD1-N 3.11Å
618	T	98	Very high	97.9	Very high	10 Å²	10	20.2 Å²	20.2	6%	0.061	13%	0.126	C	C	.	.			trans	-72.9	165.7	169.6	-153.3	0	0	0	0	111.6	C612 C623 Q647 F652	C612-T618 HydrophobicContact CB-CG2 4.06Å; C612-T618 VanDerWaalsContact O-CB 3.27Å; C612-T618 WeakPolarHBondContact O-CB 3.31Å; C612-T618 PolarHBondContact O-OG1 3.49Å; T618-C623 HydrophobicContact CG2-CB 3.8Å; T618-Q647 HydrophobicContact CG2-CB 3.76Å; T618-F652 HydrophobicContact CG2-CE2 4.2Å; T618-F652 HydrophobicContact CG2-CZ 3.69Å
619	T	97.9	Very high	97.9	Very high	67 Å²	67	20.2 Å²	20.2	41%	0.411	13%	0.126	S	C	.	.			trans	-110.2	159.4	169.2	68.4	0	0	0	0	109.8	A621 L622 C623	T619-A621 PolarHBondContact O-N 2.85Å; T619-L622 PolarHBondContact O-N 2.83Å; T619-L622 WeakPolarHBondContact OG1-CB 3.44Å; T619-L622 PolarHBondContact OG1-N 3.02Å; T619-C623 WeakPolarHBondContact O-CB 3.38Å; T619-C623 PolarHBondContact O-N 3.48Å
620	E	97.6	Very high	97.9	Very high	81 Å²	81	20 Å²	20	38%	0.379	12%	0.124	S	C	.	.	H	α-helix	trans	-55.4	-42.9	174.1	-176.4	-170.8	149.7	0	0	111.3	C623 R624 F652 F656	E620-C623 PolarHBondContact O-N 2.95Å; E620-R624 WeakPolarHBondContact O-CB 3.48Å; E620-R624 PolarHBondContact O-N 3.44Å; E620-R624 IonicContact OE1-CZ 3.35Å; E620-R624 IonicContact OE1-NE 2.81Å; E620-R624 IonicContact OE1-NH2 3.54Å; E620-R624 PolarHBondContact OE1-NH2 3.36Å; E620-F652 HydrophobicContact CB-CB 4.28Å; E620-F652 HydrophobicContact CB-CD1 3.75Å; E620-F652 HydrophobicContact CB-CE1 4.3Å; E620-F652 HydrophobicContact CB-CG 4.04Å; E620-F652 HydrophobicContact CG-CB 3.79Å; E620-F652 HydrophobicContact CG-CD1 4.23Å; E620-F652 HydrophobicContact CG-CG 4.03Å; E620-F656 HydrophobicContact CG-CD2 3.86Å; E620-F656 HydrophobicContact CG-CE2 4.48Å
621	A	97.6	Very high	97.9	Very high	44 Å²	44	20 Å²	20	36%	0.364	12%	0.124	S	C	.	.	H	α-helix	trans	-64.1	-46.9	-178	0	0	0	0	0	112.4	W586 T619 R625	W586-A621 HydrophobicContact CZ2-CB 4.27Å; T619-A621 PolarHBondContact O-N 2.85Å; A621-R625 PolarHBondContact O-N 2.96Å
622	L	98.3	Very high	97.9	Very high	4 Å²	4	20 Å²	20	2%	0.021	12%	0.124	C	C	.	.	H	α-helix	trans	-64.2	-50.8	176	175.5	62	0	0	0	110.5	A584 W586 L589 T619 R624 R625 W626	A584-L622 HydrophobicContact CB-CD2 4.36Å; A584-L622 VanDerWaalsContact O-CD2 3.23Å; A584-L622 WeakPolarHBondContact O-CD2 3.37Å; W586-L622 HydrophobicContact CD2-CD1 3.71Å; W586-L622 HydrophobicContact CE3-CD1 4.01Å; W586-L622 HydrophobicContact CG-CD1 3.97Å; W586-L622 HydrophobicContact CZ2-CB 4.15Å; W586-L622 HydrophobicContact CZ2-CD1 4.46Å; L589-L622 HydrophobicContact CB-CD1 4.18Å; L589-L622 HydrophobicContact CD2-CD1 4.22Å; T619-L622 PolarHBondContact O-N 2.83Å; T619-L622 WeakPolarHBondContact OG1-CB 3.44Å; T619-L622 PolarHBondContact OG1-N 3.02Å; L622-R624 PolarHBondContact O-N 2.9Å; L622-R625 PolarHBondContact O-N 2.97Å; L622-W626 HydrophobicContact CD1-CE3 4.16Å; L622-W626 HydrophobicContact CD2-CE3 4.45Å; L622-W626 HydrophobicContact CG-CE3 4.19Å; L622-W626 WeakPolarHBondContact O-CB 3.47Å; L622-W626 PolarHBondContact O-N 3.41Å
623	C	98.4	Very high	98	Very high	0 Å²	0	20 Å²	20	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-64.7	-28.4	-177.5	-169.7	0	0	0	0	112.3	C612 T618 T619 E620 T627 F652 F656	C612-C623 HydrophobicContact CB-CB 3.67Å; C612-C623 WeakPolarHBondContact CB-SG 3.34Å; C612-C623 WeakPolarHBondContact SG-CA 3.19Å; C612-C623 WeakPolarHBondContact SG-CB 3.42Å; C612-C623 PolarHBondContact SG-O 3.49Å; C612-C623 CovalentContact SG-SG 2.03Å; C612-C623 PolarHBondContact SG-SG 3.23Å; T618-C623 HydrophobicContact CG2-CB 3.8Å; T619-C623 WeakPolarHBondContact O-CB 3.38Å; T619-C623 PolarHBondContact O-N 3.48Å; E620-C623 PolarHBondContact O-N 2.95Å; C623-T627 VanDerWaalsContact O-CB 3.27Å; C623-T627 WeakPolarHBondContact O-CB 3.23Å; C623-T627 PolarHBondContact O-N 3.12Å; C623-T627 PolarHBondContact O-OG1 3.27Å; C623-F652 HydrophobicContact CB-CE2 3.93Å; C623-F652 HydrophobicContact CB-CZ 4.46Å; C623-F656 HydrophobicContact CB-CE2 4.24Å; C623-F656 HydrophobicContact CB-CZ 4.22Å
624	R	98.2	Very high	98	Very high	5 Å²	5	20 Å²	20	2%	0.019	12%	0.124	C	C	.	.	H	α-helix	trans	-66.3	-50.5	174.9	176.2	172.1	-56.8	-103	9.3	110.7	E620 L622 W626 T627 Q628 D655 F656 M659 Q760 N761	E620-R624 WeakPolarHBondContact O-CB 3.48Å; E620-R624 PolarHBondContact O-N 3.44Å; E620-R624 IonicContact OE1-CZ 3.35Å; E620-R624 IonicContact OE1-NE 2.81Å; E620-R624 IonicContact OE1-NH2 3.54Å; E620-R624 PolarHBondContact OE1-NH2 3.36Å; L622-R624 PolarHBondContact O-N 2.9Å; R624-W626 VanDerWaalsContact C-N 3.33Å; R624-T627 PolarHBondContact O-N 3.4Å; R624-Q628 VanDerWaalsContact O-CG 3.32Å; R624-Q628 WeakPolarHBondContact O-CG 3.44Å; R624-Q628 PolarHBondContact O-N 2.84Å; R624-Q628 VanDerWaalsContact O-N 3.12Å; R624-D655 IonicContact CZ-OD2 3.66Å; R624-D655 VanDerWaalsContact CZ-OD2 3.32Å; R624-D655 IonicContact NH1-OD2 2.86Å; R624-D655 PolarHBondContact NH1-OD2 3.49Å; R624-D655 IonicContact NH2-OD2 3.13Å; R624-D655 PolarHBondContact NH2-OD2 2.97Å; R624-F656 HydrophobicContact CB-CD2 4.08Å; R624-F656 HydrophobicContact CB-CE2 3.8Å; R624-M659 HydrophobicContact CB-CE 4.16Å; R624-M659 HydrophobicContact CG-CE 3.72Å; R624-M659 HydrophobicContact CG-CG 4.46Å; R624-M659 HydrophobicContact CG-SD 4.2Å; R624-Q760 VanDerWaalsContact CD-O 3.26Å; R624-Q760 WeakPolarHBondContact CD-O 3.42Å; R624-N761 PolarHBondContact NH1-OD1 2.8Å
625	R	98.3	Very high	98.1	Very high	16 Å²	16	19 Å²	19	6%	0.06	12%	0.12	C	C	.	.	H	α-helix	trans	-65.7	-36.8	175.7	-65.8	-51.5	-165.8	-175.5	1.1	112.3	W586 L589 A621 L622 Q628 L629 A725 D759 Q760 T762	W586-R625 HydrophobicContact CH2-CB 4.08Å; W586-R625 HydrophobicContact CH2-CG 3.6Å; W586-R625 HydrophobicContact CZ3-CB 3.92Å; W586-R625 HydrophobicContact CZ3-CG 3.73Å; L589-R625 HydrophobicContact CD2-CB 4.12Å; A621-R625 PolarHBondContact O-N 2.96Å; L622-R625 PolarHBondContact O-N 2.97Å; R625-Q628 WeakPolarHBondContact O-CB 3.48Å; R625-Q628 PolarHBondContact O-N 2.73Å; R625-L629 PolarHBondContact O-N 3.22Å; R625-A725 PolarHBondContact NH2-O 3.07Å; R625-D759 VanDerWaalsContact CZ-O 3.29Å; R625-D759 PolarHBondContact NH1-O 3.05Å; R625-D759 PolarHBondContact NH2-O 3.4Å; R625-Q760 PolarHBondContact NH1-O 3.14Å; R625-T762 PolarHBondContact NH1-O 2.98Å
626	W	98.6	Very high	98.2	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-69.2	-40.6	176.5	-147.5	-28.6	0	0	0	112.4	N582 Q588 L589 A609 I611 C612 L622 R624 Q628 L629 G630 Y633	N582-W626 WeakPolarHBondContact ND2-CH2 3.32Å; N582-W626 WeakPolarHBondContact ND2-CZ2 3.2Å; Q588-W626 HydrophobicContact CB-CH2 4.18Å; L589-W626 HydrophobicContact CB-CD2 4.33Å; L589-W626 HydrophobicContact CB-CE3 4.27Å; L589-W626 HydrophobicContact CB-CZ3 4.48Å; L589-W626 HydrophobicContact CD1-CB 3.67Å; L589-W626 HydrophobicContact CD1-CD2 3.67Å; L589-W626 HydrophobicContact CD1-CE3 4.31Å; L589-W626 HydrophobicContact CD1-CG 3.36Å; A609-W626 HydrophobicContact CB-CZ2 4.45Å; I611-W626 HydrophobicContact CG2-CB 4.32Å; I611-W626 HydrophobicContact CG2-CG 4.27Å; C612-W626 VanDerWaalsContact C-CE3 3.43Å; C612-W626 VanDerWaalsContact N-CG 3.31Å; L622-W626 HydrophobicContact CD1-CE3 4.16Å; L622-W626 HydrophobicContact CD2-CE3 4.45Å; L622-W626 HydrophobicContact CG-CE3 4.19Å; L622-W626 WeakPolarHBondContact O-CB 3.47Å; L622-W626 PolarHBondContact O-N 3.41Å; R624-W626 VanDerWaalsContact C-N 3.33Å; W626-Q628 VanDerWaalsContact C-N 3.27Å; W626-Q628 PolarHBondContact O-N 3.44Å; W626-L629 PolarHBondContact O-N 2.83Å; W626-G630 WeakPolarHBondContact O-CA 3.49Å; W626-G630 PolarHBondContact O-N 2.88Å; W626-Y633 AromaticContact NE1-CE2 3.83Å; W626-Y633 AromaticContact NE1-CZ 3.88Å; W626-Y633 PolarHBondContact NE1-OH 3.1Å
627	T	98.7	Very high	98.4	Very high	5 Å²	5	16 Å²	16	3%	0.031	9%	0.091	C	C	.	.	H	α-helix	trans	-62.2	-39.7	175.5	-61.3	0	0	0	0	111	C623 R624 A631 M659 A660 I663 I664	C623-T627 VanDerWaalsContact O-CB 3.27Å; C623-T627 WeakPolarHBondContact O-CB 3.23Å; C623-T627 PolarHBondContact O-N 3.12Å; C623-T627 PolarHBondContact O-OG1 3.27Å; R624-T627 PolarHBondContact O-N 3.4Å; T627-A631 WeakPolarHBondContact O-CB 3.45Å; T627-A631 PolarHBondContact O-N 3.43Å; T627-A631 VanDerWaalsContact O-N 3.07Å; T627-M659 HydrophobicContact CG2-CE 4.47Å; T627-A660 HydrophobicContact CG2-CB 3.89Å; T627-I663 HydrophobicContact CG2-CG2 4.19Å; T627-I664 HydrophobicContact CG2-CD1 4.39Å
628	Q	98.6	Very high	98.4	Very high	2 Å²	2	11.6 Å²	11.6	1%	0.009	7%	0.067	C	C	.	.	H	α-helix	trans	-59.3	-52.6	174	-75.2	163.9	4.3	0	0	112.1	R624 R625 W626 F632 M659 Q760 N761 T762 I763	R624-Q628 VanDerWaalsContact O-CG 3.32Å; R624-Q628 WeakPolarHBondContact O-CG 3.44Å; R624-Q628 PolarHBondContact O-N 2.84Å; R624-Q628 VanDerWaalsContact O-N 3.12Å; R625-Q628 WeakPolarHBondContact O-CB 3.48Å; R625-Q628 PolarHBondContact O-N 2.73Å; W626-Q628 VanDerWaalsContact C-N 3.27Å; W626-Q628 PolarHBondContact O-N 3.44Å; Q628-F632 VanDerWaalsContact O-CD2 3.26Å; Q628-F632 WeakPolarHBondContact O-CD2 3.3Å; Q628-F632 WeakPolarHBondContact O-CE2 3.36Å; Q628-M659 HydrophobicContact CG-SD 3.82Å; Q628-Q760 PolarHBondContact NE2-O 3.07Å; Q628-N761 VanDerWaalsContact NE2-C 3.33Å; Q628-N761 VanDerWaalsContact NE2-CA 3.3Å; Q628-N761 PolarHBondContact NE2-O 3.47Å; Q628-T762 PolarHBondContact OE1-O 2.94Å; Q628-I763 HydrophobicContact CB-CB 4.12Å; Q628-I763 HydrophobicContact CB-CD1 4.17Å; Q628-I763 WeakPolarHBondContact O-CD1 3.49Å
629	L	98.8	Very high	98.4	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-64.6	-48.2	177.6	169.5	54.2	0	0	0	111.8	L589 I593 R625 W626 A631 F632 Y633 F709 P719	L589-L629 HydrophobicContact CD1-CB 4.37Å; L589-L629 HydrophobicContact CD1-CD2 3.66Å; L589-L629 HydrophobicContact CG-CD2 4.27Å; I593-L629 HydrophobicContact CD1-CD2 4.04Å; I593-L629 HydrophobicContact CG1-CD1 4.37Å; I593-L629 HydrophobicContact CG1-CD2 3.87Å; R625-L629 PolarHBondContact O-N 3.22Å; W626-L629 PolarHBondContact O-N 2.83Å; L629-A631 VanDerWaalsContact C-N 3.25Å; L629-A631 PolarHBondContact O-N 2.87Å; L629-F632 WeakPolarHBondContact O-CA 3.34Å; L629-F632 WeakPolarHBondContact O-CB 3.45Å; L629-F632 PolarHBondContact O-N 2.76Å; L629-Y633 HydrophobicContact CD1-CD1 4.49Å; L629-Y633 HydrophobicContact CD1-CE1 3.79Å; L629-Y633 HydrophobicContact CD2-CE1 4.1Å; L629-Y633 WeakPolarHBondContact CD2-OH 3.49Å; L629-Y633 HydrophobicContact CG-CE1 3.58Å; L629-F709 HydrophobicContact CD1-CE1 3.55Å; L629-F709 HydrophobicContact CD1-CZ 3.88Å; L629-P719 HydrophobicContact CB-CB 3.99Å; L629-P719 HydrophobicContact CD1-CB 3.91Å; L629-P719 HydrophobicContact CD1-CG 3.88Å; L629-P719 HydrophobicContact CD2-CB 4.27Å; L629-P719 HydrophobicContact CD2-CG 4.28Å; L629-P719 HydrophobicContact CG-CB 4.26Å
630	G	98.6	Very high	98.4	Very high	0 Å²	0	8.2 Å²	8.2	0%	0	5%	0.046	C	C	.	.	H	α-helix	trans	-64.1	-26.9	-173.9	0	0	0	0	0	113.9	W626 F632 Y633 S636	W626-G630 WeakPolarHBondContact O-CA 3.49Å; W626-G630 PolarHBondContact O-N 2.88Å; G630-F632 PolarHBondContact O-N 3.29Å; G630-Y633 WeakPolarHBondContact O-CB 3.4Å; G630-Y633 PolarHBondContact O-N 2.96Å; G630-S636 WeakPolarHBondContact O-CB 3.26Å; G630-S636 PolarHBondContact O-OG 2.84Å
631	A	98.6	Very high	98.3	Very high	1 Å²	1	5.2 Å²	5.2	1%	0.008	3%	0.034	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-20.3	168.4	0	0	0	0	0	112.8	T627 L629 I663 R667	T627-A631 WeakPolarHBondContact O-CB 3.45Å; T627-A631 PolarHBondContact O-N 3.43Å; T627-A631 VanDerWaalsContact O-N 3.07Å; L629-A631 VanDerWaalsContact C-N 3.25Å; L629-A631 PolarHBondContact O-N 2.87Å; A631-I663 HydrophobicContact CB-CG1 3.97Å; A631-I663 HydrophobicContact CB-CG2 4.36Å; A631-R667 HydrophobicContact CB-CB 4.4Å; A631-R667 WeakPolarHBondContact O-CB 3.47Å; A631-R667 VanDerWaalsContact O-CD 3.27Å; A631-R667 WeakPolarHBondContact O-CD 3.31Å; A631-R667 VanDerWaalsContact O-CG 3.26Å; A631-R667 WeakPolarHBondContact O-CG 3.23Å; A631-R667 PolarHBondContact O-NH1 3.08Å
632	F	98.7	Very high	98.2	Very high	0 Å²	0	4.4 Å²	4.4	0%	0	3%	0.027	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105	8.8	176.5	-58.8	-84.1	0	0	0	113.9	Q628 L629 G630 I663 L670 F709 W711 V717 I763 L765	Q628-F632 VanDerWaalsContact O-CD2 3.26Å; Q628-F632 WeakPolarHBondContact O-CD2 3.3Å; Q628-F632 WeakPolarHBondContact O-CE2 3.36Å; L629-F632 WeakPolarHBondContact O-CA 3.34Å; L629-F632 WeakPolarHBondContact O-CB 3.45Å; L629-F632 PolarHBondContact O-N 2.76Å; G630-F632 PolarHBondContact O-N 3.29Å; F632-I663 HydrophobicContact CE2-CD1 3.81Å; F632-I663 HydrophobicContact CE2-CG1 4.06Å; F632-I663 HydrophobicContact CZ-CD1 3.96Å; F632-L670 HydrophobicContact CE1-CD1 3.98Å; F632-F709 HydrophobicContact CB-CE2 4.27Å; F632-F709 HydrophobicContact CB-CZ 4.01Å; F632-W711 HydrophobicContact CB-CZ2 4.1Å; F632-W711 HydrophobicContact CD1-CH2 4.27Å; F632-W711 HydrophobicContact CD1-CZ2 4.07Å; F632-W711 WeakPolarHBondContact O-CZ2 3.49Å; F632-W711 PolarHBondContact O-NE1 3.45Å; F632-V717 HydrophobicContact CB-CG1 4.24Å; F632-V717 HydrophobicContact CB-CG2 4.14Å; F632-V717 HydrophobicContact CD1-CG2 4.16Å; F632-V717 HydrophobicContact CD2-CG1 4.25Å; F632-V717 HydrophobicContact CG-CG1 4.2Å; F632-V717 HydrophobicContact CG-CG2 4.12Å; F632-I763 HydrophobicContact CD2-CD1 3.7Å; F632-I763 HydrophobicContact CE2-CD1 3.75Å; F632-I763 HydrophobicContact CE2-CG2 4.28Å; F632-L765 HydrophobicContact CD1-CD2 4.11Å; F632-L765 HydrophobicContact CD2-CD2 4.33Å; F632-L765 HydrophobicContact CE1-CD1 3.65Å; F632-L765 HydrophobicContact CE1-CD2 3.75Å; F632-L765 HydrophobicContact CE1-CG 4.36Å; F632-L765 HydrophobicContact CE2-CD1 3.96Å; F632-L765 HydrophobicContact CE2-CD2 4.03Å; F632-L765 HydrophobicContact CE2-CG 4.45Å; F632-L765 HydrophobicContact CG-CD2 4.41Å; F632-L765 HydrophobicContact CZ-CD1 3.2Å; F632-L765 HydrophobicContact CZ-CD2 3.76Å; F632-L765 HydrophobicContact CZ-CG 4.04Å
633	Y	98.8	Very high	97.8	Very high	2 Å²	2	11.7 Å²	11.7	1%	0.008	7%	0.066	C	C	.	.	S	Bend	trans	-76.7	140.9	167.5	-63.4	-17.9	0	0	0	110.9	S592 I596 A609 I611 W626 L629 G630 L635 R667	S592-Y633 VanDerWaalsContact CB-OH 3.28Å; S592-Y633 WeakPolarHBondContact CB-OH 3.4Å; S592-Y633 PolarHBondContact OG-OH 2.9Å; I596-Y633 HydrophobicContact CD1-CD1 3.15Å; I596-Y633 HydrophobicContact CD1-CD2 4.05Å; I596-Y633 HydrophobicContact CD1-CE1 3.33Å; I596-Y633 HydrophobicContact CD1-CE2 4.25Å; I596-Y633 HydrophobicContact CD1-CG 3.54Å; A609-Y633 HydrophobicContact CB-CE2 3.98Å; I611-Y633 HydrophobicContact CG1-CD2 4.22Å; I611-Y633 HydrophobicContact CG1-CE2 4.15Å; W626-Y633 AromaticContact NE1-CE2 3.83Å; W626-Y633 AromaticContact NE1-CZ 3.88Å; W626-Y633 PolarHBondContact NE1-OH 3.1Å; L629-Y633 HydrophobicContact CD1-CD1 4.49Å; L629-Y633 HydrophobicContact CD1-CE1 3.79Å; L629-Y633 HydrophobicContact CD2-CE1 4.1Å; L629-Y633 WeakPolarHBondContact CD2-OH 3.49Å; L629-Y633 HydrophobicContact CG-CE1 3.58Å; G630-Y633 WeakPolarHBondContact O-CB 3.4Å; G630-Y633 PolarHBondContact O-N 2.96Å; Y633-L635 VanDerWaalsContact C-N 3.34Å; Y633-L635 WeakPolarHBondContact CB-O 3.39Å; Y633-L635 PolarHBondContact O-N 2.93Å; Y633-R667 VanDerWaalsContact O-CZ 3.31Å; Y633-R667 PolarHBondContact O-NH1 2.85Å; Y633-R667 PolarHBondContact O-NH2 2.61Å
634	P	98.7	Very high	97.7	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	7%	0.068	C	C	.	.	S	Bend	trans	-53.1	-49.2	172.3	-28.1	35.7	0	0	0	112.8	P605 M606 V607 R667 F678 I689	P605-P634 WeakPolarHBondContact O-CB 3.27Å; P605-P634 WeakPolarHBondContact O-CG 3.24Å; M606-P634 WeakPolarHBondContact CE-O 3.32Å; M606-P634 HydrophobicContact SD-CB 4.22Å; V607-P634 VanDerWaalsContact O-CD 3.27Å; V607-P634 WeakPolarHBondContact O-CD 3.42Å; P634-R667 PolarHBondContact O-NH2 2.8Å; P634-F678 HydrophobicContact CB-CE2 4.21Å; P634-F678 HydrophobicContact CB-CZ 3.87Å; P634-I689 HydrophobicContact CG-CD1 3.92Å; P634-I689 HydrophobicContact CG-CG1 3.47Å; P634-I689 VanDerWaalsContact CG-CG1 3.47Å
635	L	98.8	Very high	97.6	Very high	1 Å²	1	14.2 Å²	14.2	1%	0.005	8%	0.083	C	C	.	.	S	Bend	trans	-94.2	99.9	165.1	179.2	66.4	0	0	0	109.9	W341 F561 V563 H577 W578 M606 V607 G608 Y633 R637	W341-L635 HydrophobicContact CZ2-CD1 4.42Å; F561-L635 HydrophobicContact CZ-CD1 4.45Å; V563-L635 HydrophobicContact CG1-CD2 4.34Å; H577-L635 WeakPolarHBondContact O-CD2 3.23Å; W578-L635 HydrophobicContact CB-CD2 3.98Å; M606-L635 HydrophobicContact CE-CB 3.97Å; M606-L635 HydrophobicContact CE-CD1 3.85Å; V607-L635 PolarHBondContact O-N 3.43Å; G608-L635 WeakPolarHBondContact CA-O 3.39Å; Y633-L635 VanDerWaalsContact C-N 3.34Å; Y633-L635 WeakPolarHBondContact CB-O 3.39Å; Y633-L635 PolarHBondContact O-N 2.93Å; L635-R637 HydrophobicContact CG-CB 4.43Å; L635-R637 PolarHBondContact O-N 3.22Å
636	S	98.8	Very high	97.5	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	88.3	179.5	174.4	0	0	0	0	110.7	F310 H311 G630	F310-S636 VanDerWaalsContact CD2-OG 3.29Å; F310-S636 WeakPolarHBondContact CD2-OG 3.4Å; H311-S636 WeakPolarHBondContact CB-O 3.44Å; H311-S636 PolarHBondContact N-O 3.2Å; G630-S636 WeakPolarHBondContact O-CB 3.26Å; G630-S636 PolarHBondContact O-OG 2.84Å
637	R	98.6	Very high	97.4	Very high	2 Å²	2	16.9 Å²	16.9	1%	0.008	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	130.1	-176.8	-174.4	-179.5	75.4	177.7	4.6	112.1	H311 W578 D610 I611 L635 H639	H311-R637 HydrophobicContact CB-CB 3.75Å; H311-R637 HydrophobicContact CB-CG 3.82Å; H311-R637 WeakPolarHBondContact O-CA 3.35Å; W578-R637 VanDerWaalsContact CG-NH2 3.32Å; D610-R637 IonicContact OD1-CZ 2.73Å; D610-R637 VanDerWaalsContact OD1-CZ 3.23Å; D610-R637 IonicContact OD1-NE 3.72Å; D610-R637 PolarHBondContact OD1-NE 3.35Å; D610-R637 IonicContact OD1-NH2 3.55Å; D610-R637 PolarHBondContact OD1-NH2 2.78Å; D610-R637 IonicContact OD2-NH2 3.62Å; D610-R637 PolarHBondContact OD2-NH2 2.97Å; I611-R637 WeakPolarHBondContact CB-O 3.5Å; I611-R637 VanDerWaalsContact CG1-O 3.26Å; I611-R637 WeakPolarHBondContact CG1-O 3.27Å; I611-R637 PolarHBondContact N-O 3.28Å; L635-R637 HydrophobicContact CG-CB 4.43Å; L635-R637 PolarHBondContact O-N 3.22Å; R637-H639 HydrophobicContact CG-CB 4.43Å
638	S	98.4	Very high	97.4	Very high	3 Å²	3	17.5 Å²	17.5	2%	0.021	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	130.9	161.7	-176.5	0	0	0	0	109.5	H311 S313 I611	H311-S638 PolarHBondContact O-N 2.68Å; S313-S638 PolarHBondContact N-O 3.18Å; S313-S638 VanDerWaalsContact O-O 3.09Å; I611-S638 PolarHBondContact O-OG 3.4Å
639	H	98	Very high	97.3	Very high	3 Å²	3	17.6 Å²	17.6	1%	0.014	11%	0.105	C	C	.	.			trans	-154.2	141.4	-179.8	-177.3	45.1	0	0	0	110	S313 R314 W315 D343 W471 D610 F614 R637 Q647	S313-H639 WeakPolarHBondContact CB-ND1 3.16Å; S313-H639 WeakPolarHBondContact O-CA 3.4Å; S313-H639 PolarHBondContact OG-ND1 3.31Å; R314-H639 WeakPolarHBondContact CA-ND1 3.48Å; R314-H639 PolarHBondContact N-ND1 3.13Å; W315-H639 PolarHBondContact N-CE1 3.03Å; W315-H639 VanDerWaalsContact N-CE1 3.3Å; D343-H639 IonicContact OD2-CE1 2.93Å; D343-H639 PolarHBondContact OD2-CE1 3Å; D343-H639 IonicContact OD2-NE2 2.97Å; D343-H639 PolarHBondContact OD2-NE2 2.93Å; W471-H639 AromaticContact CH2-NE2 3.72Å; D610-H639 HydrophobicContact CB-CB 4.06Å; D610-H639 WeakPolarHBondContact OD1-CB 3.35Å; D610-H639 IonicContact OD2-CD2 3.18Å; D610-H639 PolarHBondContact OD2-CD2 3.03Å; F614-H639 AromaticContact CD2-CD2 3.66Å; F614-H639 AromaticContact CD2-NE2 3.65Å; F614-H639 AromaticContact CE2-NE2 3.59Å; R637-H639 HydrophobicContact CG-CB 4.43Å; H639-Q647 PolarHBondContact O-NE2 3.11Å
640	N	96.9	Very high	97.3	Very high	4 Å²	4	18.3 Å²	18.3	2%	0.021	11%	0.109	C	C	.	.			trans	-150.3	165.7	174.1	58.8	-15.3	0	0	0	114.4	R314 W315 A644 V645 Q647	R314-N640 VanDerWaalsContact NH1-CG 3.3Å; R314-N640 PolarHBondContact NH1-ND2 3.47Å; R314-N640 PolarHBondContact NH1-OD1 3.4Å; W315-N640 PolarHBondContact N-O 2.77Å; N640-A644 HydrophobicContact CB-CB 4.15Å; N640-V645 PolarHBondContact ND2-O 3.44Å; N640-Q647 HydrophobicContact CB-CG 4.31Å; N640-Q647 WeakPolarHBondContact ND2-CG 3.39Å; N640-Q647 PolarHBondContact ND2-OE1 3.19Å
641	S	96.4	Very high	97.2	Very high	17 Å²	17	19.8 Å²	19.8	12%	0.119	12%	0.122	C	C	.	.			trans	-69.1	157	179.4	61.5	0	0	0	0	113.9	W315 F614 N643 A644	W315-S641 CarbonylContact O-C 3.56Å; F614-S641 WeakPolarHBondContact O-CB 3.09Å; F614-S641 PolarHBondContact O-N 3.11Å; F614-S641 PolarHBondContact O-OG 3.34Å; F614-S641 VanDerWaalsContact O-OG 3.08Å; S641-N643 VanDerWaalsContact C-N 3.25Å; S641-N643 PolarHBondContact O-N 2.69Å; S641-N643 VanDerWaalsContact O-N 3.15Å; S641-A644 WeakPolarHBondContact O-CB 3.46Å; S641-A644 PolarHBondContact O-N 2.75Å
642	A	94.2	Very high	97.2	Very high	28 Å²	28	22.1 Å²	22.1	23%	0.231	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-33.9	-174.9	0	0	0	0	0	115.2	R314 W315	R314-A642 PolarHBondContact NH2-O 3.44Å; R314-A642 VanDerWaalsContact NH2-O 3.09Å; W315-A642 HydrophobicContact CD2-CB 3.76Å; W315-A642 HydrophobicContact CE3-CB 4.26Å; W315-A642 HydrophobicContact CG-CB 4.04Å; W315-A642 HydrophobicContact CZ2-CB 4.08Å; W315-A642 WeakPolarHBondContact O-CA 3.49Å; W315-A642 PolarHBondContact O-N 3.27Å; W315-A642 VanDerWaalsContact O-N 3.08Å
643	N	91.3	Very high	97.1	Very high	156 Å²	156	24.1 Å²	24.1	83%	0.834	15%	0.153	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.4	-3.6	-177.2	-61.9	-37.2	0	0	0	113.3	S641	S641-N643 VanDerWaalsContact C-N 3.25Å; S641-N643 PolarHBondContact O-N 2.69Å; S641-N643 VanDerWaalsContact O-N 3.15Å
644	A	95.8	Very high	97	Very high	5 Å²	5	31.5 Å²	31.5	4%	0.041	19%	0.187	C	C	.	.	S	Bend	trans	-79.8	150.6	179.3	0	0	0	0	0	111.7	R314 G616 N617 N640 S641	R314-A644 PolarHBondContact NH1-O 3.27Å; R314-A644 VanDerWaalsContact NH1-O 3.1Å; R314-A644 PolarHBondContact NH2-O 3.11Å; G616-A644 WeakPolarHBondContact O-CB 3.42Å; N617-A644 WeakPolarHBondContact OD1-CA 3.26Å; N640-A644 HydrophobicContact CB-CB 4.15Å; S641-A644 WeakPolarHBondContact O-CB 3.46Å; S641-A644 PolarHBondContact O-N 2.75Å
645	V	95.7	Very high	96.9	Very high	54 Å²	54	34.1 Å²	34.1	33%	0.327	20%	0.201	S	C	.	.	P	Polyproline II helix	trans	-56.7	151.6	173.6	-68.3	0	0	0	0	112.1	N617 N640 Q647	N617-V645 HydrophobicContact CB-CG1 4.49Å; N617-V645 HydrophobicContact CB-CG2 4.02Å; N617-V645 PolarHBondContact OD1-N 3.11Å; N640-V645 PolarHBondContact ND2-O 3.44Å; V645-Q647 PolarHBondContact O-N 3.43Å
646	P	96.4	Very high	96.9	Very high	71 Å²	71	34.1 Å²	34.1	46%	0.461	20%	0.201	S	C	.	.	P	Polyproline II helix	trans	-53.8	136.4	169.3	-25	35	0	0	0	111.2	E648 A651	P646-E648 WeakPolarHBondContact CB-OE2 3.43Å; P646-A651 HydrophobicContact CB-CB 4.1Å
647	Q	97.6	Very high	96.9	Very high	1 Å²	1	34.2 Å²	34.2	1%	0.005	20%	0.202	C	C	.	.			trans	-143.4	11.4	-176.7	73.6	-174.1	31.4	0	0	113.5	I611 C612 G613 T618 H639 N640 V645 F652	I611-Q647 PolarHBondContact O-NE2 3.3Å; C612-Q647 HydrophobicContact CB-CB 4.3Å; C612-Q647 HydrophobicContact CB-CG 4.2Å; G613-Q647 PolarHBondContact O-NE2 3.11Å; T618-Q647 HydrophobicContact CG2-CB 3.76Å; H639-Q647 PolarHBondContact O-NE2 3.11Å; N640-Q647 HydrophobicContact CB-CG 4.31Å; N640-Q647 WeakPolarHBondContact ND2-CG 3.39Å; N640-Q647 PolarHBondContact ND2-OE1 3.19Å; V645-Q647 PolarHBondContact O-N 3.43Å; Q647-F652 HydrophobicContact CB-CE2 4.24Å; Q647-F652 HydrophobicContact CB-CZ 4.49Å
648	E	97.4	Very high	96.9	Very high	18 Å²	18	39.7 Å²	39.7	8%	0.084	22%	0.222	C	C	.	.	S	Bend	trans	-53.4	159	169.7	61.3	-95	-152.8	0	0	111.3	L312 L326 R329 P646 V650 A651	L312-E648 HydrophobicContact CD1-CB 3.98Å; L326-E648 HydrophobicContact CD1-CB 3.83Å; L326-E648 HydrophobicContact CD1-CG 3.45Å; L326-E648 VanDerWaalsContact CD1-CG 3.45Å; L326-E648 HydrophobicContact CD2-CB 4.43Å; R329-E648 IonicContact CZ-OE1 3.65Å; R329-E648 IonicContact NH1-OE1 3.71Å; R329-E648 IonicContact NH2-OE1 2.78Å; R329-E648 PolarHBondContact NH2-OE1 3.12Å; P646-E648 WeakPolarHBondContact CB-OE2 3.43Å; E648-V650 HydrophobicContact CG-CG2 3.68Å; E648-V650 PolarHBondContact O-N 3.44Å; E648-A651 HydrophobicContact CG-CB 3.92Å; E648-A651 VanDerWaalsContact O-CB 3.28Å; E648-A651 WeakPolarHBondContact O-CB 3.37Å; E648-A651 PolarHBondContact O-N 3.34Å
649	P	97.8	Very high	96.8	Very high	3 Å²	3	39.8 Å²	39.8	2%	0.019	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.5	-17.1	177.5	-36.5	42.6	0	0	0	116.6	F310 M330 V335 F656 A657 A660 I664	F310-P649 HydrophobicContact CE1-CG 3.69Å; F310-P649 HydrophobicContact CZ-CG 3.61Å; M330-P649 HydrophobicContact CE-CB 4.09Å; M330-P649 HydrophobicContact CE-CG 3.86Å; M330-P649 HydrophobicContact SD-CB 3.86Å; M330-P649 HydrophobicContact SD-CG 4.11Å; V335-P649 HydrophobicContact CB-CB 4.49Å; V335-P649 HydrophobicContact CG1-CB 3.79Å; V335-P649 HydrophobicContact CG1-CG 4.2Å; V335-P649 HydrophobicContact CG2-CB 4.17Å; P649-F656 VanDerWaalsContact O-CD1 3.27Å; P649-F656 WeakPolarHBondContact O-CD1 3.48Å; P649-F656 WeakPolarHBondContact O-CE1 3.5Å; P649-A657 VanDerWaalsContact O-CA 3.27Å; P649-A657 WeakPolarHBondContact O-CA 3.28Å; P649-A660 HydrophobicContact CB-CB 3.78Å; P649-I664 HydrophobicContact CB-CD1 4.35Å; P649-I664 HydrophobicContact CG-CD1 3.97Å
650	V	98	Very high	96.9	Very high	15 Å²	15	39.6 Å²	39.6	9%	0.091	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.2	12.1	-179.2	-61.7	0	0	0	0	113.8	L326 R329 M330 N333 V335 E648 A657	L326-V650 HydrophobicContact CD1-CG2 3.89Å; R329-V650 HydrophobicContact CB-CG2 3.98Å; M330-V650 HydrophobicContact SD-CG1 3.96Å; M330-V650 HydrophobicContact SD-CG2 4.13Å; N333-V650 HydrophobicContact CB-CG1 3.66Å; V335-V650 HydrophobicContact CG2-CG1 4.02Å; E648-V650 HydrophobicContact CG-CG2 3.68Å; E648-V650 PolarHBondContact O-N 3.44Å; V650-A657 HydrophobicContact CG1-CB 4.21Å
651	A	97.1	Very high	96.9	Very high	32 Å²	32	39.8 Å²	39.8	26%	0.264	22%	0.224	S	C	.	.	S	Bend	trans	-79.7	-33.8	-174.4	0	0	0	0	0	114.4	P646 E648	P646-A651 HydrophobicContact CB-CB 4.1Å; E648-A651 HydrophobicContact CG-CB 3.92Å; E648-A651 VanDerWaalsContact O-CB 3.28Å; E648-A651 WeakPolarHBondContact O-CB 3.37Å; E648-A651 PolarHBondContact O-N 3.34Å
652	F	97.1	Very high	97	Very high	49 Å²	49	43.9 Å²	43.9	22%	0.215	24%	0.241	C	C	.	.	S	Bend	trans	-101.2	32.1	-170.8	-59.5	-81.1	0	0	0	114.1	T618 E620 C623 Q647 F656	T618-F652 HydrophobicContact CG2-CE2 4.2Å; T618-F652 HydrophobicContact CG2-CZ 3.69Å; E620-F652 HydrophobicContact CB-CB 4.28Å; E620-F652 HydrophobicContact CB-CD1 3.75Å; E620-F652 HydrophobicContact CB-CE1 4.3Å; E620-F652 HydrophobicContact CB-CG 4.04Å; E620-F652 HydrophobicContact CG-CB 3.79Å; E620-F652 HydrophobicContact CG-CD1 4.23Å; E620-F652 HydrophobicContact CG-CG 4.03Å; C623-F652 HydrophobicContact CB-CE2 3.93Å; C623-F652 HydrophobicContact CB-CZ 4.46Å; Q647-F652 HydrophobicContact CB-CE2 4.24Å; Q647-F652 HydrophobicContact CB-CZ 4.49Å; F652-F656 HydrophobicContact CB-CB 3.72Å; F652-F656 HydrophobicContact CB-CD1 4.04Å; F652-F656 HydrophobicContact CB-CD2 3.96Å; F652-F656 HydrophobicContact CB-CG 3.66Å; F652-F656 HydrophobicContact CD2-CD1 4.08Å; F652-F656 HydrophobicContact CD2-CD2 4.13Å; F652-F656 AromaticContact CD2-CE1 3.88Å; F652-F656 HydrophobicContact CD2-CE1 3.88Å; F652-F656 AromaticContact CD2-CE2 3.91Å; F652-F656 HydrophobicContact CD2-CE2 3.91Å; F652-F656 HydrophobicContact CD2-CG 4.22Å; F652-F656 AromaticContact CD2-CZ 3.82Å; F652-F656 HydrophobicContact CD2-CZ 3.82Å; F652-F656 HydrophobicContact CE2-CZ 4.41Å; F652-F656 HydrophobicContact CG-CD2 4.37Å; F652-F656 HydrophobicContact CG-CG 4.39Å
653	G	96.7	Very high	97.2	Very high	42 Å²	42	43.1 Å²	43.1	43%	0.433	23%	0.233	S	C	.	.	H	α-helix	trans	82.1	179	177.2	0	0	0	0	0	115.1	D655 F656 A657	G653-D655 PolarHBondContact O-N 3.39Å; G653-F656 PolarHBondContact O-N 2.7Å; G653-A657 WeakPolarHBondContact O-CB 3.38Å; G653-A657 PolarHBondContact O-N 3.43Å
654	E	97.2	Very high	97.6	Very high	158 Å²	158	35.7 Å²	35.7	74%	0.738	19%	0.193	S	C	*	.	H	α-helix	trans	-64.5	-34.2	-167.7	-64.5	-177.2	176.4	0	0	114.1	R658	E654-R658 WeakPolarHBondContact O-CB 3.3Å; E654-R658 PolarHBondContact O-N 3.05Å
655	D	97.4	Very high	97.7	Very high	55 Å²	55	38.5 Å²	38.5	29%	0.294	20%	0.202	S	C	.	.	H	α-helix	trans	-67.5	-47.5	179.2	-176.4	79	0	0	0	111.9	R624 G653 R658 M659	R624-D655 IonicContact CZ-OD2 3.66Å; R624-D655 VanDerWaalsContact CZ-OD2 3.32Å; R624-D655 IonicContact NH1-OD2 2.86Å; R624-D655 PolarHBondContact NH1-OD2 3.49Å; R624-D655 IonicContact NH2-OD2 3.13Å; R624-D655 PolarHBondContact NH2-OD2 2.97Å; G653-D655 PolarHBondContact O-N 3.39Å; D655-R658 PolarHBondContact O-N 3.48Å; D655-R658 IonicContact OD1-CZ 3.11Å; D655-R658 IonicContact OD1-NH1 2.77Å; D655-R658 IonicContact OD1-NH2 3.07Å; D655-R658 PolarHBondContact OD1-NH2 3.15Å; D655-M659 PolarHBondContact O-N 2.87Å; D655-M659 VanDerWaalsContact O-N 3.07Å
656	F	98.1	Very high	97.8	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-62.8	-45.5	175.3	-176.9	-86.1	0	0	0	111.2	E620 C623 R624 P649 F652 G653 R658 M659 A660	E620-F656 HydrophobicContact CG-CD2 3.86Å; E620-F656 HydrophobicContact CG-CE2 4.48Å; C623-F656 HydrophobicContact CB-CE2 4.24Å; C623-F656 HydrophobicContact CB-CZ 4.22Å; R624-F656 HydrophobicContact CB-CD2 4.08Å; R624-F656 HydrophobicContact CB-CE2 3.8Å; P649-F656 VanDerWaalsContact O-CD1 3.27Å; P649-F656 WeakPolarHBondContact O-CD1 3.48Å; P649-F656 WeakPolarHBondContact O-CE1 3.5Å; F652-F656 HydrophobicContact CB-CB 3.72Å; F652-F656 HydrophobicContact CB-CD1 4.04Å; F652-F656 HydrophobicContact CB-CD2 3.96Å; F652-F656 HydrophobicContact CB-CG 3.66Å; F652-F656 HydrophobicContact CD2-CD1 4.08Å; F652-F656 HydrophobicContact CD2-CD2 4.13Å; F652-F656 AromaticContact CD2-CE1 3.88Å; F652-F656 HydrophobicContact CD2-CE1 3.88Å; F652-F656 AromaticContact CD2-CE2 3.91Å; F652-F656 HydrophobicContact CD2-CE2 3.91Å; F652-F656 HydrophobicContact CD2-CG 4.22Å; F652-F656 AromaticContact CD2-CZ 3.82Å; F652-F656 HydrophobicContact CD2-CZ 3.82Å; F652-F656 HydrophobicContact CE2-CZ 4.41Å; F652-F656 HydrophobicContact CG-CD2 4.37Å; F652-F656 HydrophobicContact CG-CG 4.39Å; G653-F656 PolarHBondContact O-N 2.7Å; F656-R658 VanDerWaalsContact C-N 3.29Å; F656-R658 PolarHBondContact O-N 3.3Å; F656-M659 HydrophobicContact CD2-CE 3.94Å; F656-M659 HydrophobicContact CE2-CE 3.91Å; F656-M659 HydrophobicContact CG-CE 4.29Å; F656-M659 HydrophobicContact CZ-CE 4.2Å; F656-M659 PolarHBondContact O-N 3.39Å; F656-A660 HydrophobicContact CE1-CB 4.41Å; F656-A660 WeakPolarHBondContact O-CB 3.35Å; F656-A660 PolarHBondContact O-N 2.77Å
657	A	98.4	Very high	97.9	Very high	2 Å²	2	34.2 Å²	34.2	2%	0.017	17%	0.173	C	C	.	.	H	α-helix	trans	-59.4	-39.8	178.4	0	0	0	0	0	112.6	N333 P649 V650 G653 S661	N333-A657 HydrophobicContact CB-CB 4.2Å; P649-A657 VanDerWaalsContact O-CA 3.27Å; P649-A657 WeakPolarHBondContact O-CA 3.28Å; V650-A657 HydrophobicContact CG1-CB 4.21Å; G653-A657 WeakPolarHBondContact O-CB 3.38Å; G653-A657 PolarHBondContact O-N 3.43Å; A657-S661 WeakPolarHBondContact O-CB 3.33Å; A657-S661 PolarHBondContact O-N 3.35Å
658	R	98.3	Very high	98	Very high	117 Å²	117	34.2 Å²	34.2	44%	0.442	17%	0.173	S	C	.	.	H	α-helix	trans	-64.8	-46.7	174.6	-177.1	173.6	66.7	-97.9	-0.5	111.9	E654 D655 F656 A660 S661 E662	E654-R658 WeakPolarHBondContact O-CB 3.3Å; E654-R658 PolarHBondContact O-N 3.05Å; D655-R658 PolarHBondContact O-N 3.48Å; D655-R658 IonicContact OD1-CZ 3.11Å; D655-R658 IonicContact OD1-NH1 2.77Å; D655-R658 IonicContact OD1-NH2 3.07Å; D655-R658 PolarHBondContact OD1-NH2 3.15Å; F656-R658 VanDerWaalsContact C-N 3.29Å; F656-R658 PolarHBondContact O-N 3.3Å; R658-A660 PolarHBondContact O-N 3.09Å; R658-S661 WeakPolarHBondContact O-CB 3.43Å; R658-S661 PolarHBondContact O-N 3.12Å; R658-E662 WeakPolarHBondContact CG-OE1 3.4Å; R658-E662 WeakPolarHBondContact O-CB 3.31Å; R658-E662 VanDerWaalsContact O-CG 3.31Å; R658-E662 WeakPolarHBondContact O-CG 3.04Å; R658-E662 PolarHBondContact O-N 3.27Å
659	M	97.9	Very high	98	Very high	5 Å²	5	35.9 Å²	35.9	3%	0.025	18%	0.178	C	C	.	.	H	α-helix	trans	-59	-46.5	176.1	176.3	-76.4	-49.2	0	0	111.5	R624 T627 Q628 D655 F656 E662 I663 N761	R624-M659 HydrophobicContact CB-CE 4.16Å; R624-M659 HydrophobicContact CG-CE 3.72Å; R624-M659 HydrophobicContact CG-CG 4.46Å; R624-M659 HydrophobicContact CG-SD 4.2Å; T627-M659 HydrophobicContact CG2-CE 4.47Å; Q628-M659 HydrophobicContact CG-SD 3.82Å; D655-M659 PolarHBondContact O-N 2.87Å; D655-M659 VanDerWaalsContact O-N 3.07Å; F656-M659 HydrophobicContact CD2-CE 3.94Å; F656-M659 HydrophobicContact CE2-CE 3.91Å; F656-M659 HydrophobicContact CG-CE 4.29Å; F656-M659 HydrophobicContact CZ-CE 4.2Å; F656-M659 PolarHBondContact O-N 3.39Å; M659-E662 PolarHBondContact O-N 3.05Å; M659-I663 WeakPolarHBondContact O-CG2 3.29Å; M659-I663 PolarHBondContact O-N 2.72Å; M659-I663 HydrophobicContact SD-CG2 4.21Å; M659-N761 HydrophobicContact CG-CB 4.28Å; M659-N761 WeakPolarHBondContact CG-OD1 3.13Å
660	A	98.5	Very high	98.1	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-64.5	-43	179.3	0	0	0	0	0	111.4	T627 P649 F656 R658 E662 I663 I664	T627-A660 HydrophobicContact CG2-CB 3.89Å; P649-A660 HydrophobicContact CB-CB 3.78Å; F656-A660 HydrophobicContact CE1-CB 4.41Å; F656-A660 WeakPolarHBondContact O-CB 3.35Å; F656-A660 PolarHBondContact O-N 2.77Å; R658-A660 PolarHBondContact O-N 3.09Å; A660-E662 PolarHBondContact O-N 3.33Å; A660-I663 PolarHBondContact O-N 2.81Å; A660-I664 HydrophobicContact CB-CD1 4.47Å; A660-I664 VanDerWaalsContact O-CB 3.23Å; A660-I664 WeakPolarHBondContact O-CB 3.31Å; A660-I664 WeakPolarHBondContact O-CD1 3.42Å; A660-I664 WeakPolarHBondContact O-CG1 3.36Å; A660-I664 PolarHBondContact O-N 3.01Å
661	S	98.6	Very high	98.1	Very high	8 Å²	8	35 Å²	35	6%	0.056	17%	0.173	C	C	.	.	H	α-helix	trans	-56.3	-48.6	173	179.4	0	0	0	0	111.7	N333 R334 A657 R658 R665	N333-S661 WeakPolarHBondContact O-CB 3.44Å; N333-S661 PolarHBondContact O-OG 3.09Å; R334-S661 PolarHBondContact O-OG 3.04Å; A657-S661 WeakPolarHBondContact O-CB 3.33Å; A657-S661 PolarHBondContact O-N 3.35Å; R658-S661 WeakPolarHBondContact O-CB 3.43Å; R658-S661 PolarHBondContact O-N 3.12Å; S661-R665 VanDerWaalsContact O-CB 3.24Å; S661-R665 WeakPolarHBondContact O-CB 3.34Å; S661-R665 WeakPolarHBondContact O-CD 3.22Å; S661-R665 WeakPolarHBondContact O-CG 3.3Å; S661-R665 PolarHBondContact O-N 3.25Å
662	E	98	Very high	98.2	Very high	103 Å²	103	33.7 Å²	33.7	48%	0.481	16%	0.161	S	C	.	.	H	α-helix	trans	-60.4	-54.2	179.5	-74.5	169.2	-175.8	0	0	111	R658 M659 A660 R665 E666	R658-E662 WeakPolarHBondContact CG-OE1 3.4Å; R658-E662 WeakPolarHBondContact O-CB 3.31Å; R658-E662 VanDerWaalsContact O-CG 3.31Å; R658-E662 WeakPolarHBondContact O-CG 3.04Å; R658-E662 PolarHBondContact O-N 3.27Å; M659-E662 PolarHBondContact O-N 3.05Å; A660-E662 PolarHBondContact O-N 3.33Å; E662-R665 PolarHBondContact O-N 3.37Å; E662-E666 WeakPolarHBondContact O-CG 3.37Å; E662-E666 PolarHBondContact O-N 3.2Å
663	I	98.5	Very high	98.2	Very high	11 Å²	11	32 Å²	32	6%	0.056	15%	0.154	C	C	.	.	H	α-helix	trans	-72.1	-36	-174.2	-162.6	58.9	0	0	0	113.6	T627 A631 F632 M659 A660 R665 E666 R667 F741 I763	T627-I663 HydrophobicContact CG2-CG2 4.19Å; A631-I663 HydrophobicContact CB-CG1 3.97Å; A631-I663 HydrophobicContact CB-CG2 4.36Å; F632-I663 HydrophobicContact CE2-CD1 3.81Å; F632-I663 HydrophobicContact CE2-CG1 4.06Å; F632-I663 HydrophobicContact CZ-CD1 3.96Å; M659-I663 WeakPolarHBondContact O-CG2 3.29Å; M659-I663 PolarHBondContact O-N 2.72Å; M659-I663 HydrophobicContact SD-CG2 4.21Å; A660-I663 PolarHBondContact O-N 2.81Å; I663-R665 VanDerWaalsContact C-N 3.31Å; I663-R665 PolarHBondContact O-N 3.38Å; I663-E666 HydrophobicContact CD1-CB 4.27Å; I663-E666 HydrophobicContact CD1-CG 4.44Å; I663-E666 WeakPolarHBondContact O-CB 3.49Å; I663-E666 PolarHBondContact O-N 2.72Å; I663-R667 PolarHBondContact O-N 3.34Å; I663-R667 VanDerWaalsContact O-N 3.09Å; I663-F741 HydrophobicContact CD1-CZ 4.08Å; I663-I763 HydrophobicContact CD1-CG2 3.47Å; I663-I763 VanDerWaalsContact CD1-CG2 3.47Å; I663-I763 HydrophobicContact CG1-CG2 4.19Å
664	I	98.7	Very high	98.3	Very high	0 Å²	0	30 Å²	30	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-67	-35.9	174	-65.6	167.5	0	0	0	109.6	F310 V335 P336 T627 P649 A660 E666 R667 Y668	F310-I664 HydrophobicContact CB-CG2 3.84Å; F310-I664 HydrophobicContact CD1-CD1 4.45Å; F310-I664 HydrophobicContact CD2-CD1 3.7Å; F310-I664 HydrophobicContact CD2-CG1 4.05Å; F310-I664 HydrophobicContact CD2-CG2 4.27Å; F310-I664 HydrophobicContact CE1-CD1 4.46Å; F310-I664 HydrophobicContact CE2-CD1 3.73Å; F310-I664 HydrophobicContact CE2-CG1 4.36Å; F310-I664 HydrophobicContact CG-CD1 4.09Å; F310-I664 HydrophobicContact CG-CG2 4.19Å; F310-I664 HydrophobicContact CZ-CD1 4.13Å; V335-I664 HydrophobicContact CG1-CD1 3.66Å; P336-I664 HydrophobicContact CB-CG2 4.14Å; P336-I664 HydrophobicContact CG-CG2 4.09Å; T627-I664 HydrophobicContact CG2-CD1 4.39Å; P649-I664 HydrophobicContact CB-CD1 4.35Å; P649-I664 HydrophobicContact CG-CD1 3.97Å; A660-I664 HydrophobicContact CB-CD1 4.47Å; A660-I664 VanDerWaalsContact O-CB 3.23Å; A660-I664 WeakPolarHBondContact O-CB 3.31Å; A660-I664 WeakPolarHBondContact O-CD1 3.42Å; A660-I664 WeakPolarHBondContact O-CG1 3.36Å; A660-I664 PolarHBondContact O-N 3.01Å; I664-E666 VanDerWaalsContact C-N 3.29Å; I664-E666 PolarHBondContact O-N 3.37Å; I664-R667 VanDerWaalsContact O-CB 3.3Å; I664-R667 WeakPolarHBondContact O-CB 3.39Å; I664-R667 PolarHBondContact O-N 2.9Å; I664-Y668 HydrophobicContact CG2-CD2 4.06Å; I664-Y668 HydrophobicContact CG2-CE2 3.65Å; I664-Y668 WeakPolarHBondContact O-CD2 3.32Å; I664-Y668 PolarHBondContact O-N 3.11Å; I664-Y668 VanDerWaalsContact O-N 3.1Å
665	R	98.6	Very high	98.4	Very high	64 Å²	64	22.5 Å²	22.5	24%	0.242	10%	0.098	C	C	.	.	H	α-helix	trans	-67.4	-29.6	173.3	-73	173.4	69.1	-150.4	-4.1	112.7	P336 S661 E662 I663 Y668 R669 P778	P336-R665 HydrophobicContact CG-CG 3.42Å; P336-R665 VanDerWaalsContact CG-CG 3.42Å; S661-R665 VanDerWaalsContact O-CB 3.24Å; S661-R665 WeakPolarHBondContact O-CB 3.34Å; S661-R665 WeakPolarHBondContact O-CD 3.22Å; S661-R665 WeakPolarHBondContact O-CG 3.3Å; S661-R665 PolarHBondContact O-N 3.25Å; E662-R665 PolarHBondContact O-N 3.37Å; I663-R665 VanDerWaalsContact C-N 3.31Å; I663-R665 PolarHBondContact O-N 3.38Å; R665-Y668 PolarHBondContact O-N 3.09Å; R665-R669 PolarHBondContact O-N 3.2Å; R665-P778 HydrophobicContact CB-CB 4.18Å; R665-P778 HydrophobicContact CB-CG 4.07Å; R665-P778 WeakPolarHBondContact O-CB 3.05Å; R665-P778 WeakPolarHBondContact O-CG 3.3Å
666	E	98.4	Very high	98.5	Very high	36 Å²	36	20 Å²	20	17%	0.168	9%	0.085	C	C	.	.	H	α-helix	trans	-66.1	-40.2	170.7	-65.2	-57.5	145.2	0	0	112.4	E662 I663 I664 Y668 R669 L670 Y740 F741	E662-E666 WeakPolarHBondContact O-CG 3.37Å; E662-E666 PolarHBondContact O-N 3.2Å; I663-E666 HydrophobicContact CD1-CB 4.27Å; I663-E666 HydrophobicContact CD1-CG 4.44Å; I663-E666 WeakPolarHBondContact O-CB 3.49Å; I663-E666 PolarHBondContact O-N 2.72Å; I664-E666 VanDerWaalsContact C-N 3.29Å; I664-E666 PolarHBondContact O-N 3.37Å; E666-Y668 PolarHBondContact O-N 3.21Å; E666-R669 WeakPolarHBondContact O-CB 2.93Å; E666-R669 PolarHBondContact O-N 3.08Å; E666-R669 VanDerWaalsContact O-N 3.13Å; E666-R669 IonicContact OE1-CZ 3.59Å; E666-R669 IonicContact OE1-NH1 2.83Å; E666-R669 PolarHBondContact OE1-NH1 2.97Å; E666-R669 IonicContact OE2-CZ 3.59Å; E666-R669 IonicContact OE2-NH1 3.6Å; E666-R669 PolarHBondContact OE2-NH1 3.28Å; E666-L670 PolarHBondContact O-N 3.38Å; E666-L670 VanDerWaalsContact O-N 3.1Å; E666-Y740 PolarHBondContact OE2-OH 3.19Å; E666-F741 HydrophobicContact CG-CE1 3.86Å; E666-F741 HydrophobicContact CG-CZ 4.35Å
667	R	98.5	Very high	98.5	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-52.3	-49	168.2	172.8	-169.6	-176.2	79.2	-4	110.4	L308 G309 A631 Y633 P634 I663 I664 R669 L670 L671	L308-R667 PolarHBondContact O-NE 3.19Å; L308-R667 PolarHBondContact O-NH2 2.89Å; G309-R667 PolarHBondContact O-NE 3.05Å; A631-R667 HydrophobicContact CB-CB 4.4Å; A631-R667 WeakPolarHBondContact O-CB 3.47Å; A631-R667 VanDerWaalsContact O-CD 3.27Å; A631-R667 WeakPolarHBondContact O-CD 3.31Å; A631-R667 VanDerWaalsContact O-CG 3.26Å; A631-R667 WeakPolarHBondContact O-CG 3.23Å; A631-R667 PolarHBondContact O-NH1 3.08Å; Y633-R667 VanDerWaalsContact O-CZ 3.31Å; Y633-R667 PolarHBondContact O-NH1 2.85Å; Y633-R667 PolarHBondContact O-NH2 2.61Å; P634-R667 PolarHBondContact O-NH2 2.8Å; I663-R667 PolarHBondContact O-N 3.34Å; I663-R667 VanDerWaalsContact O-N 3.09Å; I664-R667 VanDerWaalsContact O-CB 3.3Å; I664-R667 WeakPolarHBondContact O-CB 3.39Å; I664-R667 PolarHBondContact O-N 2.9Å; R667-R669 VanDerWaalsContact C-N 3.25Å; R667-R669 PolarHBondContact O-N 3.32Å; R667-L670 CarbonylContact O-C 3.56Å; R667-L670 PolarHBondContact O-N 3.34Å; R667-L671 HydrophobicContact CG-CD2 4.18Å; R667-L671 WeakPolarHBondContact O-CG 3.42Å; R667-L671 PolarHBondContact O-N 3.32Å; R667-L671 VanDerWaalsContact O-N 3.12Å
668	Y	98.7	Very high	98.5	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-63.5	-33.8	-178.2	-80.3	-124.2	0	0	0	112	F310 P336 L337 D338 I664 R665 E666 L670 L671 T782	F310-Y668 HydrophobicContact CB-CE2 4.12Å; F310-Y668 PolarHBondContact N-OH 2.67Å; P336-Y668 HydrophobicContact CB-CD1 3.93Å; P336-Y668 HydrophobicContact CB-CD2 4.07Å; P336-Y668 HydrophobicContact CB-CE1 3.42Å; P336-Y668 VanDerWaalsContact CB-CE1 3.42Å; P336-Y668 HydrophobicContact CB-CE2 3.58Å; P336-Y668 HydrophobicContact CB-CG 4.2Å; P336-Y668 VanDerWaalsContact CB-OH 3.26Å; P336-Y668 WeakPolarHBondContact CB-OH 3.21Å; P336-Y668 HydrophobicContact CG-CD1 4.43Å; P336-Y668 HydrophobicContact CG-CD2 4.35Å; P336-Y668 HydrophobicContact CG-CE1 4.38Å; P336-Y668 HydrophobicContact CG-CE2 4.27Å; P336-Y668 HydrophobicContact CG-CG 4.38Å; P336-Y668 PolarHBondContact O-OH 3.05Å; L337-Y668 PolarHBondContact N-OH 3.23Å; D338-Y668 WeakPolarHBondContact OD2-CE1 3.49Å; D338-Y668 PolarHBondContact OD2-OH 3.24Å; I664-Y668 HydrophobicContact CG2-CD2 4.06Å; I664-Y668 HydrophobicContact CG2-CE2 3.65Å; I664-Y668 WeakPolarHBondContact O-CD2 3.32Å; I664-Y668 PolarHBondContact O-N 3.11Å; I664-Y668 VanDerWaalsContact O-N 3.1Å; R665-Y668 PolarHBondContact O-N 3.09Å; E666-Y668 PolarHBondContact O-N 3.21Å; Y668-L670 VanDerWaalsContact C-N 3.29Å; Y668-L670 PolarHBondContact O-N 3.03Å; Y668-L671 HydrophobicContact CD1-CD1 4.3Å; Y668-L671 HydrophobicContact CG-CD1 4.2Å; Y668-L671 PolarHBondContact O-N 3.43Å; Y668-T782 HydrophobicContact CE1-CG2 4.28Å
669	R	98.6	Very high	98.5	Very high	54 Å²	54	15.8 Å²	15.8	20%	0.204	7%	0.07	C	C	.	.	H	α-helix	trans	-63.4	-35.7	173	176.8	174.5	-73.7	115.2	-5.7	112.5	R665 E666 R667 Y740 M775 Q776 P778	R665-R669 PolarHBondContact O-N 3.2Å; E666-R669 WeakPolarHBondContact O-CB 2.93Å; E666-R669 PolarHBondContact O-N 3.08Å; E666-R669 VanDerWaalsContact O-N 3.13Å; E666-R669 IonicContact OE1-CZ 3.59Å; E666-R669 IonicContact OE1-NH1 2.83Å; E666-R669 PolarHBondContact OE1-NH1 2.97Å; E666-R669 IonicContact OE2-CZ 3.59Å; E666-R669 IonicContact OE2-NH1 3.6Å; E666-R669 PolarHBondContact OE2-NH1 3.28Å; R667-R669 VanDerWaalsContact C-N 3.25Å; R667-R669 PolarHBondContact O-N 3.32Å; R669-Y740 WeakPolarHBondContact CD-OH 3.42Å; R669-M775 HydrophobicContact CG-CB 3.91Å; R669-M775 HydrophobicContact CG-CG 4.38Å; R669-M775 HydrophobicContact CG-SD 4.17Å; R669-M775 CarbonylContact O-C 3.45Å; R669-M775 WeakPolarHBondContact O-CA 3.28Å; R669-M775 WeakPolarHBondContact O-CB 3.2Å; R669-Q776 WeakPolarHBondContact CA-O 3Å; R669-Q776 WeakPolarHBondContact CB-O 3.11Å; R669-Q776 WeakPolarHBondContact CG-O 3.48Å; R669-Q776 PolarHBondContact O-N 2.9Å; R669-P778 HydrophobicContact CB-CG 4.27Å
670	L	98.7	Very high	98.6	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-91.4	-1.2	-177.3	-66.3	171.7	0	0	0	114.3	F632 E666 R667 Y668 P672 Y673 L674 W711 I715 Y740 V773 M775	F632-L670 HydrophobicContact CE1-CD1 3.98Å; E666-L670 PolarHBondContact O-N 3.38Å; E666-L670 VanDerWaalsContact O-N 3.1Å; R667-L670 CarbonylContact O-C 3.56Å; R667-L670 PolarHBondContact O-N 3.34Å; Y668-L670 VanDerWaalsContact C-N 3.29Å; Y668-L670 PolarHBondContact O-N 3.03Å; L670-P672 VanDerWaalsContact C-CD 3.44Å; L670-Y673 WeakPolarHBondContact O-CB 3.39Å; L670-Y673 PolarHBondContact O-N 3.06Å; L670-L674 PolarHBondContact O-N 3Å; L670-W711 HydrophobicContact CB-CZ3 3.8Å; L670-W711 HydrophobicContact CD1-CZ3 4.41Å; L670-I715 HydrophobicContact CD1-CD1 4.04Å; L670-I715 HydrophobicContact CD2-CD1 3.76Å; L670-I715 HydrophobicContact CG-CD1 4.46Å; L670-Y740 HydrophobicContact CD1-CE2 4.44Å; L670-Y740 HydrophobicContact CD2-CE2 3.95Å; L670-V773 HydrophobicContact CD2-CG1 3.98Å; L670-M775 HydrophobicContact CD2-CG 4.12Å; L670-M775 HydrophobicContact CD2-SD 4.24Å
671	L	98.7	Very high	98.6	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-57.6	-35.9	-179.4	-67.9	-177	0	0	0	115.1	Y305 L308 R667 Y668 Y673 L674 Y675 T782	Y305-L671 HydrophobicContact CE1-CB 4.28Å; Y305-L671 HydrophobicContact CE1-CD1 4.19Å; Y305-L671 VanDerWaalsContact OH-CB 3.26Å; Y305-L671 WeakPolarHBondContact OH-CB 3.46Å; L308-L671 HydrophobicContact CB-CD2 3.72Å; L308-L671 WeakPolarHBondContact O-CD2 3.24Å; R667-L671 HydrophobicContact CG-CD2 4.18Å; R667-L671 WeakPolarHBondContact O-CG 3.42Å; R667-L671 PolarHBondContact O-N 3.32Å; R667-L671 VanDerWaalsContact O-N 3.12Å; Y668-L671 HydrophobicContact CD1-CD1 4.3Å; Y668-L671 HydrophobicContact CG-CD1 4.2Å; Y668-L671 PolarHBondContact O-N 3.43Å; L671-Y673 PolarHBondContact O-N 2.9Å; L671-L674 HydrophobicContact CD2-CD2 4.07Å; L671-L674 PolarHBondContact O-N 3.41Å; L671-Y675 WeakPolarHBondContact O-CB 3.4Å; L671-Y675 PolarHBondContact O-N 3.37Å; L671-T782 HydrophobicContact CD1-CG2 3.63Å
672	P	98.2	Very high	98.5	Very high	3 Å²	3	20.1 Å²	20.1	2%	0.019	9%	0.086	C	C	.	.	H	α-helix	trans	-59.1	-36	174.5	-25.9	35.7	0	0	0	112.9	L670 T676 P774 Q776 M790 L806	L670-P672 VanDerWaalsContact C-CD 3.44Å; P672-T676 WeakPolarHBondContact O-CB 3.43Å; P672-T676 PolarHBondContact O-N 3.03Å; P672-T676 VanDerWaalsContact O-N 3.16Å; P672-T676 PolarHBondContact O-OG1 3.1Å; P672-P774 HydrophobicContact CB-CB 4.15Å; P672-P774 HydrophobicContact CB-CG 4.42Å; P672-Q776 HydrophobicContact CG-CB 3.72Å; P672-M790 HydrophobicContact CB-CE 3.7Å; P672-M790 HydrophobicContact CG-CE 4Å; P672-L806 HydrophobicContact CB-CD1 4.39Å
673	Y	98.8	Very high	98.5	Very high	13 Å²	13	18.4 Å²	18.4	5%	0.051	8%	0.08	C	C	.	.	H	α-helix	trans	-71.1	-52.3	174.4	177	-117.7	0	0	0	111.3	L670 L671 Y675 T676 L677 W711 C714 I715 V773 P774	L670-Y673 WeakPolarHBondContact O-CB 3.39Å; L670-Y673 PolarHBondContact O-N 3.06Å; L671-Y673 PolarHBondContact O-N 2.9Å; Y673-Y675 VanDerWaalsContact C-N 3.27Å; Y673-Y675 PolarHBondContact O-N 2.78Å; Y673-T676 WeakPolarHBondContact O-CA 3.28Å; Y673-T676 WeakPolarHBondContact O-CB 3.33Å; Y673-T676 PolarHBondContact O-N 3.17Å; Y673-L677 HydrophobicContact CD1-CD1 4.22Å; Y673-L677 HydrophobicContact CE1-CD1 3.72Å; Y673-L677 HydrophobicContact CE1-CG 4.32Å; Y673-L677 HydrophobicContact CE2-CD1 4.47Å; Y673-L677 HydrophobicContact CE2-CD2 3.97Å; Y673-L677 HydrophobicContact CE2-CG 4.23Å; Y673-L677 WeakPolarHBondContact O-CG 3.15Å; Y673-L677 PolarHBondContact O-N 3.43Å; Y673-W711 HydrophobicContact CD1-CE3 4.23Å; Y673-W711 HydrophobicContact CE1-CB 3.84Å; Y673-W711 WeakPolarHBondContact CE1-O 3.46Å; Y673-W711 PolarHBondContact OH-O 2.82Å; Y673-C714 HydrophobicContact CE2-CB 4.43Å; Y673-C714 WeakPolarHBondContact OH-CB 3.43Å; Y673-C714 PolarHBondContact OH-N 3.41Å; Y673-I715 HydrophobicContact CD1-CD1 3.63Å; Y673-I715 HydrophobicContact CD1-CG1 4.35Å; Y673-I715 HydrophobicContact CE1-CD1 3.72Å; Y673-I715 HydrophobicContact CE1-CG1 3.95Å; Y673-V773 HydrophobicContact CD1-CG1 4.25Å; Y673-V773 HydrophobicContact CD2-CG1 4.29Å; Y673-V773 HydrophobicContact CG-CG1 3.88Å; Y673-P774 WeakPolarHBondContact CB-O 3.44Å; Y673-P774 PolarHBondContact N-O 2.84Å
674	L	98.8	Very high	98.4	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-55.7	-43.6	178.6	-178.5	61.3	0	0	0	111.8	L308 L670 L671 T676 L677 F678 V688 W711	L308-L674 HydrophobicContact CB-CD2 4.4Å; L308-L674 HydrophobicContact CD1-CD2 4.41Å; L308-L674 HydrophobicContact CD1-CG 4.33Å; L308-L674 HydrophobicContact CD2-CD2 4.18Å; L670-L674 PolarHBondContact O-N 3Å; L671-L674 HydrophobicContact CD2-CD2 4.07Å; L671-L674 PolarHBondContact O-N 3.41Å; L674-T676 VanDerWaalsContact C-N 3.33Å; L674-T676 PolarHBondContact O-N 2.85Å; L674-L677 WeakPolarHBondContact O-CB 3.16Å; L674-L677 PolarHBondContact O-N 3.32Å; L674-L677 VanDerWaalsContact O-N 3.14Å; L674-F678 HydrophobicContact CD1-CD2 4.22Å; L674-F678 HydrophobicContact CD1-CE2 3.97Å; L674-F678 HydrophobicContact CG-CD2 4.13Å; L674-F678 HydrophobicContact CG-CE2 4.07Å; L674-F678 WeakPolarHBondContact O-CD2 3.49Å; L674-F678 PolarHBondContact O-N 3.44Å; L674-V688 HydrophobicContact CD1-CG1 3.56Å; L674-W711 HydrophobicContact CB-CE3 4.17Å; L674-W711 HydrophobicContact CB-CH2 4.13Å; L674-W711 HydrophobicContact CB-CZ3 3.77Å; L674-W711 HydrophobicContact CD1-CD2 4.17Å; L674-W711 HydrophobicContact CD1-CE3 4.26Å; L674-W711 HydrophobicContact CD1-CH2 4.26Å; L674-W711 HydrophobicContact CD1-CZ2 4.13Å; L674-W711 HydrophobicContact CD1-CZ3 4.32Å; L674-W711 HydrophobicContact CD2-CH2 3.68Å; L674-W711 HydrophobicContact CD2-CZ2 3.94Å; L674-W711 HydrophobicContact CD2-CZ3 4.21Å; L674-W711 HydrophobicContact CG-CH2 4.24Å; L674-W711 HydrophobicContact CG-CZ3 4.32Å
675	Y	98.7	Very high	98.4	Very high	2 Å²	2	21 Å²	21	1%	0.008	9%	0.094	C	C	.	.	H	α-helix	trans	-64.7	-37.4	177.8	-172.4	-122.6	0	0	0	112.8	L302 Y305 L308 R559 L671 Y673 L677 F678 Y679 F807 D809	L302-Y675 HydrophobicContact CD1-CE2 4.24Å; Y305-Y675 AromaticContact CD2-CD1 3.53Å; Y305-Y675 HydrophobicContact CD2-CD1 3.53Å; Y305-Y675 AromaticContact CD2-CD2 3.65Å; Y305-Y675 HydrophobicContact CD2-CD2 3.65Å; Y305-Y675 AromaticContact CD2-CE1 3.8Å; Y305-Y675 HydrophobicContact CD2-CE1 3.8Å; Y305-Y675 AromaticContact CD2-CE2 3.93Å; Y305-Y675 HydrophobicContact CD2-CE2 3.93Å; Y305-Y675 AromaticContact CD2-CG 3.42Å; Y305-Y675 HydrophobicContact CD2-CG 3.42Å; Y305-Y675 VanDerWaalsContact CD2-CG 3.42Å; Y305-Y675 AromaticContact CD2-CZ 3.97Å; Y305-Y675 AromaticContact CE2-CD1 3.72Å; Y305-Y675 HydrophobicContact CE2-CD1 3.72Å; Y305-Y675 HydrophobicContact CE2-CD2 4.29Å; Y305-Y675 HydrophobicContact CE2-CE1 4.37Å; Y305-Y675 AromaticContact CE2-CG 3.65Å; Y305-Y675 HydrophobicContact CE2-CG 3.65Å; L308-Y675 HydrophobicContact CD1-CD2 3.73Å; L308-Y675 HydrophobicContact CD1-CG 4.23Å; R559-Y675 PolarHBondContact NH1-OH 3.26Å; L671-Y675 WeakPolarHBondContact O-CB 3.4Å; L671-Y675 PolarHBondContact O-N 3.37Å; Y673-Y675 VanDerWaalsContact C-N 3.27Å; Y673-Y675 PolarHBondContact O-N 2.78Å; Y675-L677 VanDerWaalsContact C-N 3.32Å; Y675-L677 PolarHBondContact O-N 3.17Å; Y675-F678 PolarHBondContact O-N 3.26Å; Y675-Y679 PolarHBondContact O-N 2.96Å; Y675-F807 AromaticContact CD1-CD1 3.81Å; Y675-F807 HydrophobicContact CD1-CD1 3.81Å; Y675-F807 HydrophobicContact CD1-CE1 4.28Å; Y675-F807 AromaticContact CE1-CD1 3.45Å; Y675-F807 HydrophobicContact CE1-CD1 3.45Å; Y675-F807 VanDerWaalsContact CE1-CD1 3.45Å; Y675-F807 AromaticContact CE1-CE1 3.47Å; Y675-F807 HydrophobicContact CE1-CE1 3.47Å; Y675-F807 VanDerWaalsContact CE1-CE1 3.47Å; Y675-F807 AromaticContact CZ-CE1 3.72Å; Y675-D809 VanDerWaalsContact CE1-OD1 3.29Å; Y675-D809 WeakPolarHBondContact CE1-OD1 3.41Å; Y675-D809 PolarHBondContact OH-OD1 3.38Å; Y675-D809 PolarHBondContact OH-OD2 2.99Å
676	T	98.7	Very high	98.4	Very high	2 Å²	2	18.3 Å²	18.3	1%	0.012	9%	0.085	C	C	.	.	H	α-helix	trans	-65.2	-36.1	172.8	-58.8	0	0	0	0	111.6	P672 Y673 L674 F678 Y679 W680 S805 F807	P672-T676 WeakPolarHBondContact O-CB 3.43Å; P672-T676 PolarHBondContact O-N 3.03Å; P672-T676 VanDerWaalsContact O-N 3.16Å; P672-T676 PolarHBondContact O-OG1 3.1Å; Y673-T676 WeakPolarHBondContact O-CA 3.28Å; Y673-T676 WeakPolarHBondContact O-CB 3.33Å; Y673-T676 PolarHBondContact O-N 3.17Å; L674-T676 VanDerWaalsContact C-N 3.33Å; L674-T676 PolarHBondContact O-N 2.85Å; T676-F678 VanDerWaalsContact C-N 3.34Å; T676-Y679 WeakPolarHBondContact O-CB 3.22Å; T676-Y679 PolarHBondContact O-N 3.27Å; T676-W680 PolarHBondContact O-N 3.08Å; T676-W680 VanDerWaalsContact O-N 3.17Å; T676-S805 WeakPolarHBondContact CG2-OG 3.46Å; T676-F807 HydrophobicContact CG2-CB 4.2Å; T676-F807 PolarHBondContact OG1-N 3.09Å
677	L	98.9	Very high	98.3	Very high	13 Å²	13	16.6 Å²	16.6	7%	0.068	8%	0.077	C	C	.	.	H	α-helix	trans	-63.3	-41.1	172.8	-61.3	177.2	0	0	0	111.7	Y673 L674 Y675 Y679 W680 S681 V688 W711 G712	Y673-L677 HydrophobicContact CD1-CD1 4.22Å; Y673-L677 HydrophobicContact CE1-CD1 3.72Å; Y673-L677 HydrophobicContact CE1-CG 4.32Å; Y673-L677 HydrophobicContact CE2-CD1 4.47Å; Y673-L677 HydrophobicContact CE2-CD2 3.97Å; Y673-L677 HydrophobicContact CE2-CG 4.23Å; Y673-L677 WeakPolarHBondContact O-CG 3.15Å; Y673-L677 PolarHBondContact O-N 3.43Å; L674-L677 WeakPolarHBondContact O-CB 3.16Å; L674-L677 PolarHBondContact O-N 3.32Å; L674-L677 VanDerWaalsContact O-N 3.14Å; Y675-L677 VanDerWaalsContact C-N 3.32Å; Y675-L677 PolarHBondContact O-N 3.17Å; L677-Y679 VanDerWaalsContact C-N 3.31Å; L677-Y679 PolarHBondContact O-N 2.92Å; L677-W680 PolarHBondContact O-N 2.92Å; L677-S681 PolarHBondContact O-N 3.03Å; L677-V688 HydrophobicContact CB-CB 4.48Å; L677-V688 HydrophobicContact CB-CG1 4.02Å; L677-V688 HydrophobicContact CB-CG2 4.17Å; L677-V688 HydrophobicContact CD1-CG1 4.15Å; L677-W711 HydrophobicContact CD1-CB 4.01Å; L677-G712 VanDerWaalsContact CD1-N 3.33Å
678	F	98.8	Very high	98.4	Very high	1 Å²	1	16.6 Å²	16.6	0%	0.004	8%	0.077	C	C	.	.	H	α-helix	trans	-63.8	-34.7	174.8	-89.8	-73.6	0	0	0	113.3	L302 P303 L308 P605 M606 P634 L674 Y675 T676 S681 H682 V688	L302-F678 HydrophobicContact CD1-CB 4Å; P303-F678 HydrophobicContact CG-CB 4.14Å; P303-F678 HydrophobicContact CG-CD1 3.51Å; P303-F678 HydrophobicContact CG-CD2 4.07Å; P303-F678 HydrophobicContact CG-CE1 3.8Å; P303-F678 HydrophobicContact CG-CE2 4.34Å; P303-F678 HydrophobicContact CG-CG 3.63Å; P303-F678 HydrophobicContact CG-CZ 4.2Å; L308-F678 HydrophobicContact CD1-CD2 4.33Å; L308-F678 HydrophobicContact CD2-CD2 3.77Å; L308-F678 HydrophobicContact CD2-CE2 3.49Å; L308-F678 VanDerWaalsContact CD2-CE2 3.49Å; L308-F678 HydrophobicContact CD2-CZ 4.24Å; P605-F678 HydrophobicContact CB-CE1 4.02Å; P605-F678 HydrophobicContact CG-CD1 4.31Å; P605-F678 HydrophobicContact CG-CE1 3.85Å; M606-F678 HydrophobicContact CB-CE1 3.76Å; M606-F678 HydrophobicContact CB-CZ 3.85Å; M606-F678 HydrophobicContact CG-CZ 4.36Å; M606-F678 HydrophobicContact SD-CE1 4.32Å; M606-F678 HydrophobicContact SD-CE2 4.23Å; M606-F678 HydrophobicContact SD-CZ 3.62Å; P634-F678 HydrophobicContact CB-CE2 4.21Å; P634-F678 HydrophobicContact CB-CZ 3.87Å; L674-F678 HydrophobicContact CD1-CD2 4.22Å; L674-F678 HydrophobicContact CD1-CE2 3.97Å; L674-F678 HydrophobicContact CG-CD2 4.13Å; L674-F678 HydrophobicContact CG-CE2 4.07Å; L674-F678 WeakPolarHBondContact O-CD2 3.49Å; L674-F678 PolarHBondContact O-N 3.44Å; Y675-F678 PolarHBondContact O-N 3.26Å; T676-F678 VanDerWaalsContact C-N 3.34Å; F678-S681 PolarHBondContact O-N 2.88Å; F678-H682 WeakPolarHBondContact O-CB 3.41Å; F678-H682 PolarHBondContact O-N 3.31Å; F678-V688 HydrophobicContact CD1-CG2 4.06Å; F678-V688 HydrophobicContact CD2-CG1 4.47Å; F678-V688 HydrophobicContact CD2-CG2 4.31Å; F678-V688 HydrophobicContact CE1-CG2 4.18Å; F678-V688 HydrophobicContact CE2-CG1 4.2Å; F678-V688 HydrophobicContact CE2-CG2 4.41Å; F678-V688 HydrophobicContact CG-CG2 4.14Å; F678-V688 HydrophobicContact CZ-CG2 4.36Å
679	Y	98.3	Very high	98.4	Very high	17 Å²	17	16.7 Å²	16.7	7%	0.067	8%	0.078	C	C	.	.	H	α-helix	trans	-59.5	-48	170.3	169.9	-94.9	0	0	0	111.6	Y675 T676 L677 S681 H682 I683 F807 L815 L823	Y675-Y679 PolarHBondContact O-N 2.96Å; T676-Y679 WeakPolarHBondContact O-CB 3.22Å; T676-Y679 PolarHBondContact O-N 3.27Å; L677-Y679 VanDerWaalsContact C-N 3.31Å; L677-Y679 PolarHBondContact O-N 2.92Å; Y679-S681 VanDerWaalsContact C-N 3.3Å; Y679-S681 PolarHBondContact O-N 2.93Å; Y679-H682 PolarHBondContact O-N 2.94Å; Y679-I683 HydrophobicContact CD2-CG1 4.12Å; Y679-I683 HydrophobicContact CE1-CG1 4.2Å; Y679-I683 HydrophobicContact CE2-CD1 4.22Å; Y679-I683 HydrophobicContact CE2-CG1 3.64Å; Y679-I683 WeakPolarHBondContact O-CG1 3.36Å; Y679-I683 PolarHBondContact O-N 3.07Å; Y679-F807 HydrophobicContact CD1-CB 4.26Å; Y679-F807 HydrophobicContact CD1-CD2 4.27Å; Y679-F807 HydrophobicContact CD1-CG 4.31Å; Y679-F807 HydrophobicContact CD2-CB 4.48Å; Y679-F807 HydrophobicContact CD2-CD1 4.04Å; Y679-F807 AromaticContact CD2-CD2 3.33Å; Y679-F807 HydrophobicContact CD2-CD2 3.33Å; Y679-F807 HydrophobicContact CD2-CE1 4.06Å; Y679-F807 AromaticContact CD2-CE2 3.36Å; Y679-F807 HydrophobicContact CD2-CE2 3.36Å; Y679-F807 AromaticContact CD2-CG 3.68Å; Y679-F807 HydrophobicContact CD2-CG 3.68Å; Y679-F807 AromaticContact CD2-CZ 3.75Å; Y679-F807 HydrophobicContact CD2-CZ 3.75Å; Y679-F807 AromaticContact CE2-CD2 3.67Å; Y679-F807 HydrophobicContact CE2-CD2 3.67Å; Y679-F807 AromaticContact CE2-CE2 3.59Å; Y679-F807 HydrophobicContact CE2-CE2 3.59Å; Y679-F807 HydrophobicContact CE2-CG 4.44Å; Y679-F807 HydrophobicContact CE2-CZ 4.32Å; Y679-F807 HydrophobicContact CG-CB 3.95Å; Y679-F807 HydrophobicContact CG-CD1 4.05Å; Y679-F807 AromaticContact CG-CD2 3.67Å; Y679-F807 HydrophobicContact CG-CD2 3.67Å; Y679-F807 HydrophobicContact CG-CE1 4.5Å; Y679-F807 HydrophobicContact CG-CE2 4.16Å; Y679-F807 AromaticContact CG-CG 3.6Å; Y679-F807 HydrophobicContact CG-CG 3.6Å; Y679-L815 HydrophobicContact CD2-CD2 4.25Å; Y679-L815 HydrophobicContact CE2-CD2 3.88Å; Y679-L823 HydrophobicContact CD1-CD1 4.07Å; Y679-L823 HydrophobicContact CE1-CD1 3.71Å; Y679-L823 HydrophobicContact CE1-CD2 3.75Å; Y679-L823 HydrophobicContact CE1-CG 4.36Å; Y679-L823 WeakPolarHBondContact OH-CD2 3.46Å
680	W	98.2	Very high	98.3	Very high	59 Å²	59	15 Å²	15	22%	0.223	7%	0.071	C	C	.	.	H	α-helix	trans	-64.6	-35.9	176.8	-68.1	118.8	0	0	0	112.7	T676 L677 H682 I683 N684 G685 S805 L823	T676-W680 PolarHBondContact O-N 3.08Å; T676-W680 VanDerWaalsContact O-N 3.17Å; L677-W680 PolarHBondContact O-N 2.92Å; W680-H682 VanDerWaalsContact C-N 3.34Å; W680-I683 PolarHBondContact O-N 3.35Å; W680-N684 WeakPolarHBondContact O-CA 3.5Å; W680-N684 WeakPolarHBondContact O-CB 3.41Å; W680-N684 PolarHBondContact O-N 3.4Å; W680-G685 PolarHBondContact O-N 3.39Å; W680-S805 PolarHBondContact NE1-OG 3.01Å; W680-L823 HydrophobicContact CH2-CD2 4.3Å; W680-L823 HydrophobicContact CZ2-CD1 4.27Å
681	S	98.6	Very high	98.3	Very high	2 Å²	2	15 Å²	15	1%	0.014	7%	0.071	C	C	.	.	H	α-helix	trans	-62	-43.3	172.9	-153.2	0	0	0	0	112	P300 P605 L677 F678 Y679 G685 T686	P300-S681 WeakPolarHBondContact CD-O 3.36Å; P605-S681 WeakPolarHBondContact CG-OG 3.3Å; L677-S681 PolarHBondContact O-N 3.03Å; F678-S681 PolarHBondContact O-N 2.88Å; Y679-S681 VanDerWaalsContact C-N 3.3Å; Y679-S681 PolarHBondContact O-N 2.93Å; S681-G685 WeakPolarHBondContact O-CA 3.46Å; S681-G685 PolarHBondContact O-N 2.82Å; S681-T686 WeakPolarHBondContact CA-O 3.2Å; S681-T686 WeakPolarHBondContact CB-O 3.38Å; S681-T686 PolarHBondContact OG-O 2.97Å
682	H	98	Very high	98.3	Very high	42 Å²	42	15 Å²	15	19%	0.194	7%	0.071	C	C	.	.	H	α-helix	trans	-67	-38.9	178.8	180	62.2	0	0	0	113.6	R299 P300 L302 F678 Y679 W680	R299-H682 WeakPolarHBondContact CB-O 3.37Å; R299-H682 WeakPolarHBondContact CG-O 3.29Å; P300-H682 WeakPolarHBondContact O-CA 3.48Å; P300-H682 PolarHBondContact O-ND1 2.88Å; L302-H682 HydrophobicContact CB-CB 4Å; L302-H682 HydrophobicContact CD1-CB 4.44Å; L302-H682 PolarHBondContact N-ND1 3.17Å; F678-H682 WeakPolarHBondContact O-CB 3.41Å; F678-H682 PolarHBondContact O-N 3.31Å; Y679-H682 PolarHBondContact O-N 2.94Å; W680-H682 VanDerWaalsContact C-N 3.34Å
683	I	96.8	Very high	98.2	Very high	67 Å²	67	14.9 Å²	14.9	34%	0.344	7%	0.071	S	C	.	.	H	α-helix	trans	-86	-45.4	-177.1	-59.1	-57.4	0	0	0	112	R299 Y679 W680 L815	R299-I683 PolarHBondContact NE-O 2.97Å; R299-I683 VanDerWaalsContact NE-O 3.16Å; Y679-I683 HydrophobicContact CD2-CG1 4.12Å; Y679-I683 HydrophobicContact CE1-CG1 4.2Å; Y679-I683 HydrophobicContact CE2-CD1 4.22Å; Y679-I683 HydrophobicContact CE2-CG1 3.64Å; Y679-I683 WeakPolarHBondContact O-CG1 3.36Å; Y679-I683 PolarHBondContact O-N 3.07Å; W680-I683 PolarHBondContact O-N 3.35Å; I683-L815 HydrophobicContact CD1-CD2 4.31Å
684	N	97.2	Very high	98.1	Very high	62 Å²	62	14.6 Å²	14.6	33%	0.332	7%	0.07	S	C	.	.	H	α-helix	trans	-106.9	-12	-171.7	-67.4	-10.9	0	0	0	113.8	E291 R299 W680 T686	E291-N684 WeakPolarHBondContact CB-O 3.49Å; E291-N684 WeakPolarHBondContact CG-O 3.41Å; R299-N684 PolarHBondContact NH1-O 2.98Å; R299-N684 PolarHBondContact NH2-O 2.64Å; W680-N684 WeakPolarHBondContact O-CA 3.5Å; W680-N684 WeakPolarHBondContact O-CB 3.41Å; W680-N684 PolarHBondContact O-N 3.4Å; N684-T686 WeakPolarHBondContact CB-OG1 3.22Å
685	G	98	Very high	98	Very high	3 Å²	3	16.2 Å²	16.2	3%	0.031	8%	0.078	C	C	.	.			trans	78.1	9.5	-171.3	0	0	0	0	0	113.9	T294 W680 S681	T294-G685 VanDerWaalsContact OG1-CA 3.23Å; T294-G685 WeakPolarHBondContact OG1-CA 3.33Å; W680-G685 PolarHBondContact O-N 3.39Å; S681-G685 WeakPolarHBondContact O-CA 3.46Å; S681-G685 PolarHBondContact O-N 2.82Å
686	T	98.2	Very high	97.9	Very high	8 Å²	8	17 Å²	17	5%	0.049	8%	0.081	C	C	.	.			trans	-66.7	129.5	-176.1	-46.4	0	0	0	0	110.5	Q287 E291 S681 N684	Q287-T686 HydrophobicContact CG-CG2 3.94Å; E291-T686 WeakPolarHBondContact OE1-CB 3.31Å; E291-T686 PolarHBondContact OE1-OG1 2.68Å; S681-T686 WeakPolarHBondContact CA-O 3.2Å; S681-T686 WeakPolarHBondContact CB-O 3.38Å; S681-T686 PolarHBondContact OG-O 2.97Å; N684-T686 WeakPolarHBondContact CB-OG1 3.22Å
687	P	98.1	Very high	97.9	Very high	1 Å²	1	18.1 Å²	18.1	1%	0.006	9%	0.088	C	C	.	.			trans	-59.4	144.8	177.9	-27.1	36.4	0	0	0	113.3	A290 N600 R690 M694	A290-P687 HydrophobicContact CB-CG 3.77Å; N600-P687 HydrophobicContact CB-CB 4.18Å; P687-R690 HydrophobicContact CB-CG 4.21Å; P687-R690 PolarHBondContact O-NE 2.75Å; P687-R690 PolarHBondContact O-NH2 2.85Å; P687-R690 VanDerWaalsContact O-NH2 3.15Å; P687-M694 HydrophobicContact CB-SD 4.29Å; P687-M694 HydrophobicContact CG-CE 4.49Å; P687-M694 HydrophobicContact CG-SD 4.02Å
688	V	98.8	Very high	97.8	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	11%	0.112	C	C	.	.	S	Bend	trans	-86.2	-54.6	178.9	173	0	0	0	0	110.1	N600 P605 L674 L677 F678 G712	N600-V688 PolarHBondContact OD1-N 3.44Å; P605-V688 HydrophobicContact CB-CB 3.96Å; P605-V688 HydrophobicContact CB-CG2 3.66Å; P605-V688 HydrophobicContact CG-CG2 4.39Å; L674-V688 HydrophobicContact CD1-CG1 3.56Å; L677-V688 HydrophobicContact CB-CB 4.48Å; L677-V688 HydrophobicContact CB-CG1 4.02Å; L677-V688 HydrophobicContact CB-CG2 4.17Å; L677-V688 HydrophobicContact CD1-CG1 4.15Å; F678-V688 HydrophobicContact CD1-CG2 4.06Å; F678-V688 HydrophobicContact CD2-CG1 4.47Å; F678-V688 HydrophobicContact CD2-CG2 4.31Å; F678-V688 HydrophobicContact CE1-CG2 4.18Å; F678-V688 HydrophobicContact CE2-CG1 4.2Å; F678-V688 HydrophobicContact CE2-CG2 4.41Å; F678-V688 HydrophobicContact CG-CG2 4.14Å; F678-V688 HydrophobicContact CZ-CG2 4.36Å; V688-G712 PolarHBondContact O-N 3.08Å
689	I	98.6	Very high	97.7	Very high	2 Å²	2	21.8 Å²	21.8	1%	0.01	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	130.4	167.3	-55.7	-62.9	0	0	0	108.1	I596 M597 N600 P634 F709 L710 W711	I596-I689 HydrophobicContact CG2-CB 4.06Å; I596-I689 HydrophobicContact CG2-CG1 3.75Å; I596-I689 HydrophobicContact CG2-CG2 4.01Å; M597-I689 HydrophobicContact CG-CG2 4.22Å; N600-I689 HydrophobicContact CB-CB 4.4Å; N600-I689 VanDerWaalsContact CB-O 3.23Å; N600-I689 WeakPolarHBondContact CB-O 3.09Å; N600-I689 WeakPolarHBondContact ND2-CB 3.4Å; N600-I689 PolarHBondContact OD1-N 3.06Å; N600-I689 PolarHBondContact OD1-O 3.38Å; P634-I689 HydrophobicContact CG-CD1 3.92Å; P634-I689 HydrophobicContact CG-CG1 3.47Å; P634-I689 VanDerWaalsContact CG-CG1 3.47Å; I689-F709 HydrophobicContact CD1-CD2 3.92Å; I689-F709 HydrophobicContact CD1-CE2 3.86Å; I689-F709 HydrophobicContact CG2-CB 3.84Å; I689-F709 HydrophobicContact CG2-CD2 3.61Å; I689-F709 HydrophobicContact CG2-CE2 4.43Å; I689-F709 HydrophobicContact CG2-CG 3.92Å; I689-L710 CarbonylContact C-O 3.59Å; I689-L710 WeakPolarHBondContact CA-O 3.44Å; I689-W711 HydrophobicContact CD1-CG 4.25Å
690	R	97.8	Very high	97.6	Very high	18 Å²	18	23.4 Å²	23.4	7%	0.068	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	125.5	-177.6	-56.7	-175.3	-167.2	172.6	4.5	109.8	P687 M694 E695 L710 G712	P687-R690 HydrophobicContact CB-CG 4.21Å; P687-R690 PolarHBondContact O-NE 2.75Å; P687-R690 PolarHBondContact O-NH2 2.85Å; P687-R690 VanDerWaalsContact O-NH2 3.15Å; R690-M694 HydrophobicContact CB-CB 4.28Å; R690-M694 HydrophobicContact CB-SD 4.43Å; R690-E695 WeakPolarHBondContact CD-OE1 3.37Å; R690-E695 IonicContact CZ-OE1 3.17Å; R690-E695 IonicContact NE-OE1 3.05Å; R690-E695 IonicContact NH1-OE1 3.03Å; R690-E695 PolarHBondContact NH1-OE1 2.89Å; R690-L710 HydrophobicContact CB-CB 4.31Å; R690-L710 PolarHBondContact N-O 3.2Å; R690-L710 PolarHBondContact O-N 3.2Å; R690-G712 WeakPolarHBondContact CD-O 3.27Å
691	P	97.9	Very high	97.6	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-54.2	147.2	157.3	-12.5	21	0	0	0	109.5	F204 M597 L693 M694	F204-P691 HydrophobicContact CD1-CB 4.11Å; F204-P691 HydrophobicContact CD1-CG 4.12Å; F204-P691 HydrophobicContact CE1-CB 3.57Å; F204-P691 HydrophobicContact CE1-CG 3.25Å; F204-P691 HydrophobicContact CE2-CG 4.4Å; F204-P691 HydrophobicContact CZ-CB 4.27Å; F204-P691 HydrophobicContact CZ-CG 3.44Å; F204-P691 VanDerWaalsContact CZ-CG 3.44Å; M597-P691 HydrophobicContact CB-CG 3.98Å; M597-P691 HydrophobicContact CG-CG 3.98Å; M597-P691 HydrophobicContact SD-CB 3.66Å; M597-P691 HydrophobicContact SD-CG 3.71Å; P691-L693 HydrophobicContact CB-CD2 4.24Å; P691-L693 HydrophobicContact CB-CG 4.11Å; P691-L693 PolarHBondContact O-N 3.01Å; P691-L693 VanDerWaalsContact O-N 3.1Å; P691-M694 HydrophobicContact CG-CE 4.23Å; P691-M694 HydrophobicContact CG-CG 4.28Å; P691-M694 HydrophobicContact CG-SD 4.46Å; P691-M694 WeakPolarHBondContact O-CB 3.48Å; P691-M694 PolarHBondContact O-N 3.02Å
692	L	98.3	Very high	97.5	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-57.2	-31.6	-179.1	-86.1	62.7	0	0	0	112.1	M694 E695 F696 T702 L705 Q708 L710 M716 Y731 P733	L692-M694 PolarHBondContact O-N 2.87Å; L692-E695 PolarHBondContact O-N 3.39Å; L692-E695 VanDerWaalsContact O-N 3.13Å; L692-F696 WeakPolarHBondContact O-CD2 3.38Å; L692-F696 PolarHBondContact O-N 2.76Å; L692-T702 HydrophobicContact CB-CG2 3.92Å; L692-L705 HydrophobicContact CD2-CD1 3.8Å; L692-Q708 HydrophobicContact CD1-CB 3.89Å; L692-Q708 WeakPolarHBondContact CD1-O 3.41Å; L692-Q708 HydrophobicContact CD2-CB 4.41Å; L692-L710 HydrophobicContact CD1-CD1 4.26Å; L692-L710 HydrophobicContact CD1-CG 4.09Å; L692-L710 HydrophobicContact CG-CD1 4.2Å; L692-L710 HydrophobicContact CG-CG 4.48Å; L692-M716 HydrophobicContact CD2-SD 4.11Å; L692-Y731 HydrophobicContact CD2-CD1 4.47Å; L692-P733 HydrophobicContact CD2-CG 3.67Å; L692-P733 HydrophobicContact CG-CG 4.3Å
693	L	96.9	Very high	97.5	Very high	1 Å²	1	24 Å²	24	1%	0.005	14%	0.142	C	C	.	.	H	α-helix	trans	-60.6	-25.5	176.7	77.1	91.1	0	0	0	113.9	Y194 F204 V239 P286 P691 E695 P697 T702	Y194-L693 HydrophobicContact CD1-CD2 4.18Å; Y194-L693 HydrophobicContact CE1-CD2 3.46Å; Y194-L693 VanDerWaalsContact CE1-CD2 3.46Å; Y194-L693 HydrophobicContact CE2-CD2 4.15Å; Y194-L693 VanDerWaalsContact CZ-CD2 3.45Å; F204-L693 HydrophobicContact CD1-CD2 4.11Å; F204-L693 HydrophobicContact CE1-CD2 3.72Å; V239-L693 HydrophobicContact CG2-CD1 4.45Å; P286-L693 HydrophobicContact CB-CD1 3.86Å; P286-L693 HydrophobicContact CG-CD1 3.68Å; P691-L693 HydrophobicContact CB-CD2 4.24Å; P691-L693 HydrophobicContact CB-CG 4.11Å; P691-L693 PolarHBondContact O-N 3.01Å; P691-L693 VanDerWaalsContact O-N 3.1Å; L693-E695 VanDerWaalsContact C-N 3.35Å; L693-P697 WeakPolarHBondContact O-CA 3.48Å; L693-P697 VanDerWaalsContact O-CB 3.27Å; L693-P697 WeakPolarHBondContact O-CB 3.3Å; L693-P697 VanDerWaalsContact O-N 3.16Å; L693-T702 VanDerWaalsContact CA-OG1 3.27Å; L693-T702 WeakPolarHBondContact CA-OG1 3.4Å
694	M	96.4	Very high	97.5	Very high	7 Å²	7	25.2 Å²	25.2	3%	0.034	15%	0.149	C	C	.	.	H	α-helix	trans	-71.2	-33.9	177.8	-67	-167	173.7	0	0	112	P286 M601 P687 R690 P691 L692	P286-M694 HydrophobicContact CB-CB 4.36Å; P286-M694 HydrophobicContact CB-CG 3.89Å; M601-M694 HydrophobicContact CB-CE 3.96Å; M601-M694 HydrophobicContact CG-CE 4.3Å; P687-M694 HydrophobicContact CB-SD 4.29Å; P687-M694 HydrophobicContact CG-CE 4.49Å; P687-M694 HydrophobicContact CG-SD 4.02Å; R690-M694 HydrophobicContact CB-CB 4.28Å; R690-M694 HydrophobicContact CB-SD 4.43Å; P691-M694 HydrophobicContact CG-CE 4.23Å; P691-M694 HydrophobicContact CG-CG 4.28Å; P691-M694 HydrophobicContact CG-SD 4.46Å; P691-M694 WeakPolarHBondContact O-CB 3.48Å; P691-M694 PolarHBondContact O-N 3.02Å; L692-M694 PolarHBondContact O-N 2.87Å
695	E	96.5	Very high	97.5	Very high	34 Å²	34	22.8 Å²	22.8	16%	0.159	14%	0.136	C	C	.	.	H	α-helix	trans	-92	-24.8	179.8	-70.3	-59.8	136	0	0	113.4	R690 L692 L693 L710 S713 R768	R690-E695 WeakPolarHBondContact CD-OE1 3.37Å; R690-E695 IonicContact CZ-OE1 3.17Å; R690-E695 IonicContact NE-OE1 3.05Å; R690-E695 IonicContact NH1-OE1 3.03Å; R690-E695 PolarHBondContact NH1-OE1 2.89Å; L692-E695 PolarHBondContact O-N 3.39Å; L692-E695 VanDerWaalsContact O-N 3.13Å; L693-E695 VanDerWaalsContact C-N 3.35Å; E695-L710 HydrophobicContact CB-CD1 3.79Å; E695-L710 HydrophobicContact CG-CD1 3.58Å; E695-S713 WeakPolarHBondContact OE2-CB 3.44Å; E695-R768 IonicContact OE2-NH1 2.97Å
696	F	97.6	Very high	97.4	Very high	18 Å²	18	23.3 Å²	23.3	8%	0.079	14%	0.138	C	C	.	.			trans	-129.2	56.3	-178.1	-55.8	-84.7	0	0	0	111.1	L692 A698 D699 T702 L710 P733 W737 R768	L692-F696 WeakPolarHBondContact O-CD2 3.38Å; L692-F696 PolarHBondContact O-N 2.76Å; F696-A698 VanDerWaalsContact C-N 3.25Å; F696-A698 PolarHBondContact O-N 3.42Å; F696-D699 HydrophobicContact CB-CB 4.07Å; F696-D699 WeakPolarHBondContact O-CB 3.44Å; F696-D699 PolarHBondContact O-N 3.27Å; F696-T702 HydrophobicContact CB-CG2 4.08Å; F696-T702 PolarHBondContact O-OG1 2.72Å; F696-L710 HydrophobicContact CE2-CD1 4.17Å; F696-P733 HydrophobicContact CB-CB 4.33Å; F696-P733 HydrophobicContact CD1-CB 3.62Å; F696-P733 HydrophobicContact CD2-CB 3.67Å; F696-P733 HydrophobicContact CD2-CG 3.72Å; F696-P733 HydrophobicContact CE1-CB 3.69Å; F696-P733 HydrophobicContact CE2-CB 3.76Å; F696-P733 HydrophobicContact CE2-CG 3.81Å; F696-P733 HydrophobicContact CG-CB 3.61Å; F696-P733 HydrophobicContact CG-CG 4.13Å; F696-P733 HydrophobicContact CZ-CB 3.76Å; F696-P733 HydrophobicContact CZ-CG 4.25Å; F696-W737 HydrophobicContact CE2-CH2 4.37Å; F696-W737 HydrophobicContact CE2-CZ2 4.16Å; F696-W737 HydrophobicContact CZ-CH2 4.22Å; F696-W737 AromaticContact CZ-CZ2 3.78Å; F696-W737 HydrophobicContact CZ-CZ2 3.78Å; F696-R768 VanDerWaalsContact CE1-CZ 3.43Å; F696-R768 VanDerWaalsContact CE1-NH2 3.34Å
697	P	97.2	Very high	97.3	Very high	25 Å²	25	24 Å²	24	16%	0.162	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-25.5	-170.3	30	-38.7	0	0	0	113.2	G244 P286 L693 D699 W703	G244-P697 WeakPolarHBondContact CA-O 3.27Å; P286-P697 HydrophobicContact CG-CB 4.1Å; L693-P697 WeakPolarHBondContact O-CA 3.48Å; L693-P697 VanDerWaalsContact O-CB 3.27Å; L693-P697 WeakPolarHBondContact O-CB 3.3Å; L693-P697 VanDerWaalsContact O-N 3.16Å; P697-D699 VanDerWaalsContact C-N 3.29Å; P697-D699 PolarHBondContact O-N 3.23Å; P697-W703 PolarHBondContact O-NE1 2.03Å
698	A	97.1	Very high	97.4	Very high	68 Å²	68	24 Å²	24	56%	0.562	14%	0.142	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.3	-0.5	174.6	0	0	0	0	0	114	F696	F696-A698 VanDerWaalsContact C-N 3.25Å; F696-A698 PolarHBondContact O-N 3.42Å
699	D	97.7	Very high	97.3	Very high	24 Å²	24	24.2 Å²	24.2	13%	0.128	14%	0.142	C	C	.	.			trans	-101.6	95.3	175.9	-169.4	-14	0	0	0	109.7	F696 P697 N701 T702 Y731	F696-D699 HydrophobicContact CB-CB 4.07Å; F696-D699 WeakPolarHBondContact O-CB 3.44Å; F696-D699 PolarHBondContact O-N 3.27Å; P697-D699 VanDerWaalsContact C-N 3.29Å; P697-D699 PolarHBondContact O-N 3.23Å; D699-N701 PolarHBondContact O-N 2.95Å; D699-N701 WeakPolarHBondContact OD1-CB 3.39Å; D699-N701 PolarHBondContact OD1-N 2.94Å; D699-N701 PolarHBondContact OD1-ND2 3.48Å; D699-T702 HydrophobicContact CB-CG2 4.03Å; D699-T702 WeakPolarHBondContact O-CB 3.4Å; D699-T702 PolarHBondContact O-N 3.43Å; D699-T702 PolarHBondContact O-OG1 3.25Å; D699-Y731 VanDerWaalsContact CG-OH 3.3Å; D699-Y731 PolarHBondContact OD1-OH 2.73Å; D699-Y731 VanDerWaalsContact OD1-OH 3.09Å; D699-Y731 PolarHBondContact OD2-OH 3.49Å
700	A	96.6	Very high	97.4	Very high	50 Å²	50	24.1 Å²	24.1	41%	0.413	14%	0.142	S	C	.	.	G	3₁₀ helix	trans	-59	-19.6	-175.8	0	0	0	0	0	114.3	T702 W703	A700-T702 PolarHBondContact O-N 3.42Å; A700-W703 HydrophobicContact CB-CD2 4Å; A700-W703 HydrophobicContact CB-CE3 3.89Å; A700-W703 HydrophobicContact CB-CH2 4.18Å; A700-W703 HydrophobicContact CB-CZ2 4.21Å; A700-W703 HydrophobicContact CB-CZ3 3.99Å; A700-W703 PolarHBondContact O-N 3.21Å
701	N	96.8	Very high	97.4	Very high	101 Å²	101	23.2 Å²	23.2	54%	0.54	14%	0.139	S	C	.	.	G	3₁₀ helix	trans	-67.1	-18.5	174.5	-58.8	-67.5	0	0	0	112.5	D699 L705 Y731	D699-N701 PolarHBondContact O-N 2.95Å; D699-N701 WeakPolarHBondContact OD1-CB 3.39Å; D699-N701 PolarHBondContact OD1-N 2.94Å; D699-N701 PolarHBondContact OD1-ND2 3.48Å; N701-L705 WeakPolarHBondContact O-CG 3.34Å; N701-Y731 HydrophobicContact CB-CE1 3.81Å; N701-Y731 HydrophobicContact CB-CE2 3.84Å; N701-Y731 VanDerWaalsContact CB-CZ 3.41Å; N701-Y731 WeakPolarHBondContact CB-OH 3.11Å; N701-Y731 PolarHBondContact ND2-OH 3.27Å; N701-Y731 VanDerWaalsContact ND2-OH 3.13Å
702	T	97.9	Very high	97.4	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	14%	0.139	C	C	.	.	G	3₁₀ helix	trans	-86.5	-15.5	-179.8	67.8	0	0	0	0	113.8	L692 L693 F696 D699 A700 N704 L705 Y731 P733	L692-T702 HydrophobicContact CB-CG2 3.92Å; L693-T702 VanDerWaalsContact CA-OG1 3.27Å; L693-T702 WeakPolarHBondContact CA-OG1 3.4Å; F696-T702 HydrophobicContact CB-CG2 4.08Å; F696-T702 PolarHBondContact O-OG1 2.72Å; D699-T702 HydrophobicContact CB-CG2 4.03Å; D699-T702 WeakPolarHBondContact O-CB 3.4Å; D699-T702 PolarHBondContact O-N 3.43Å; D699-T702 PolarHBondContact O-OG1 3.25Å; A700-T702 PolarHBondContact O-N 3.42Å; T702-N704 VanDerWaalsContact C-N 3.28Å; T702-N704 PolarHBondContact O-N 2.69Å; T702-L705 HydrophobicContact CG2-CD1 4.4Å; T702-L705 PolarHBondContact O-N 3.32Å; T702-Y731 HydrophobicContact CG2-CD1 4.31Å; T702-Y731 HydrophobicContact CG2-CE1 3.85Å; T702-P733 HydrophobicContact CG2-CG 4.19Å
703	W	97.3	Very high	97.3	Very high	14 Å²	14	25.1 Å²	25.1	5%	0.053	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-23.5	-171.4	-62.2	-6.7	0	0	0	113.9	Y192 Y194 V239 D241 P697 A700	Y192-W703 HydrophobicContact CD1-CB 4.01Å; Y192-W703 HydrophobicContact CD1-CD2 4.39Å; Y192-W703 AromaticContact CD1-CE3 3.74Å; Y192-W703 HydrophobicContact CD1-CE3 3.74Å; Y192-W703 AromaticContact CD2-CE3 3.74Å; Y192-W703 HydrophobicContact CD2-CE3 3.74Å; Y192-W703 AromaticContact CD2-CZ3 3.71Å; Y192-W703 HydrophobicContact CD2-CZ3 3.71Å; Y192-W703 HydrophobicContact CE1-CB 4.22Å; Y192-W703 HydrophobicContact CE1-CD2 4.47Å; Y192-W703 AromaticContact CE1-CE3 3.55Å; Y192-W703 HydrophobicContact CE1-CE3 3.55Å; Y192-W703 HydrophobicContact CE1-CZ3 4.27Å; Y192-W703 AromaticContact CE2-CE3 3.53Å; Y192-W703 HydrophobicContact CE2-CE3 3.53Å; Y192-W703 AromaticContact CE2-CZ3 3.38Å; Y192-W703 HydrophobicContact CE2-CZ3 3.38Å; Y192-W703 AromaticContact CG-CE3 3.85Å; Y192-W703 HydrophobicContact CG-CE3 3.85Å; Y192-W703 HydrophobicContact CG-CZ3 4.28Å; Y192-W703 AromaticContact CZ-CE3 3.43Å; Y192-W703 VanDerWaalsContact CZ-CE3 3.43Å; Y192-W703 AromaticContact CZ-CZ3 3.69Å; Y194-W703 WeakPolarHBondContact CE1-O 3.33Å; Y194-W703 WeakPolarHBondContact OH-CA 3.42Å; Y194-W703 WeakPolarHBondContact OH-CB 3.46Å; Y194-W703 PolarHBondContact OH-O 2.85Å; V239-W703 HydrophobicContact CG1-CD2 4.44Å; V239-W703 HydrophobicContact CG1-CH2 4.07Å; V239-W703 HydrophobicContact CG1-CZ2 3.66Å; D241-W703 WeakPolarHBondContact O-CH2 3.19Å; D241-W703 WeakPolarHBondContact O-CZ2 3.35Å; P697-W703 PolarHBondContact O-NE1 2.03Å; A700-W703 HydrophobicContact CB-CD2 4Å; A700-W703 HydrophobicContact CB-CE3 3.89Å; A700-W703 HydrophobicContact CB-CH2 4.18Å; A700-W703 HydrophobicContact CB-CZ2 4.21Å; A700-W703 HydrophobicContact CB-CZ3 3.99Å; A700-W703 PolarHBondContact O-N 3.21Å
704	N	96.2	Very high	97.4	Very high	94 Å²	94	25.4 Å²	25.4	50%	0.503	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-109.7	5.2	177.5	-59.3	-37.6	0	0	0	112.6	K205 T702 D706	K205-N704 WeakPolarHBondContact CD-OD1 3.13Å; T702-N704 VanDerWaalsContact C-N 3.28Å; T702-N704 PolarHBondContact O-N 2.69Å; N704-D706 PolarHBondContact O-N 3.5Å
705	L	97.1	Very high	97.5	Very high	10 Å²	10	25 Å²	25	5%	0.052	15%	0.152	C	C	.	.			trans	-78.4	121.6	179.8	-70.7	175.4	0	0	0	109.8	L692 N701 T702 Y731	L692-L705 HydrophobicContact CD2-CD1 3.8Å; N701-L705 WeakPolarHBondContact O-CG 3.34Å; T702-L705 HydrophobicContact CG2-CD1 4.4Å; T702-L705 PolarHBondContact O-N 3.32Å; L705-Y731 HydrophobicContact CD1-CD1 3.48Å; L705-Y731 VanDerWaalsContact CD1-CD1 3.48Å; L705-Y731 HydrophobicContact CD1-CE1 4.41Å; L705-Y731 HydrophobicContact CD1-CG 3.94Å
706	D	96.3	Very high	97.6	Very high	14 Å²	14	23.4 Å²	23.4	8%	0.075	14%	0.144	C	C	.	.			trans	-130.3	4.2	-178.1	61.3	20.8	0	0	0	114.4	N203 F204 K590 I593 V594 M597 N704	N203-D706 VanDerWaalsContact CA-OD2 3.3Å; N203-D706 WeakPolarHBondContact CA-OD2 3.32Å; N203-D706 WeakPolarHBondContact CB-OD2 3.37Å; N203-D706 PolarHBondContact OD1-OD2 3.26Å; F204-D706 HydrophobicContact CB-CB 3.81Å; K590-D706 WeakPolarHBondContact CE-OD1 3.22Å; K590-D706 IonicContact NZ-OD1 2.71Å; K590-D706 PolarHBondContact NZ-OD1 3.36Å; K590-D706 IonicContact NZ-OD2 3.26Å; I593-D706 WeakPolarHBondContact CG2-O 3.43Å; V594-D706 HydrophobicContact CG2-CB 4.08Å; M597-D706 HydrophobicContact CE-CB 4.35Å; N704-D706 PolarHBondContact O-N 3.5Å
707	D	97.1	Very high	97.7	Very high	24 Å²	24	22.6 Å²	22.6	13%	0.128	14%	0.141	C	C	.	.	S	Bend	trans	-113.8	-0.6	-179.6	63.8	-11.7	0	0	0	113.1	P719 I721 R728	D707-P719 WeakPolarHBondContact O-CD 3.41Å; D707-I721 HydrophobicContact CB-CD1 3.78Å; D707-R728 PolarHBondContact O-NH2 2.91Å; D707-R728 IonicContact OD2-NH1 3.55Å; D707-R728 IonicContact OD2-NH2 3.71Å
708	Q	98.5	Very high	97.7	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	13%	0.133	C	C	.	.			trans	-129.2	144	174.6	-66.6	177.8	-123.2	0	0	109.7	L692 M716 S718 Y731	L692-Q708 HydrophobicContact CD1-CB 3.89Å; L692-Q708 WeakPolarHBondContact CD1-O 3.41Å; L692-Q708 HydrophobicContact CD2-CB 4.41Å; Q708-M716 PolarHBondContact NE2-SD 3.03Å; Q708-M716 VanDerWaalsContact NE2-SD 3.35Å; Q708-S718 PolarHBondContact NE2-OG 2.82Å; Q708-Y731 PolarHBondContact NE2-O 3.29Å
709	F	98.6	Very high	97.8	Very high	4 Å²	4	18.2 Å²	18.2	2%	0.018	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	167.9	175.4	64.4	-87.5	0	0	0	111.4	I593 M597 L629 F632 I689 W711 V717	I593-F709 HydrophobicContact CG2-CD1 3.73Å; I593-F709 HydrophobicContact CG2-CE1 4.41Å; M597-F709 HydrophobicContact CG-CB 4.45Å; M597-F709 HydrophobicContact SD-CB 4.33Å; L629-F709 HydrophobicContact CD1-CE1 3.55Å; L629-F709 HydrophobicContact CD1-CZ 3.88Å; F632-F709 HydrophobicContact CB-CE2 4.27Å; F632-F709 HydrophobicContact CB-CZ 4.01Å; I689-F709 HydrophobicContact CD1-CD2 3.92Å; I689-F709 HydrophobicContact CD1-CE2 3.86Å; I689-F709 HydrophobicContact CG2-CB 3.84Å; I689-F709 HydrophobicContact CG2-CD2 3.61Å; I689-F709 HydrophobicContact CG2-CE2 4.43Å; I689-F709 HydrophobicContact CG2-CG 3.92Å; F709-W711 AromaticContact CE2-CD1 3.87Å; F709-V717 HydrophobicContact CD1-CB 4.27Å; F709-V717 HydrophobicContact CD2-CB 4.15Å; F709-V717 HydrophobicContact CD2-CG2 4.16Å; F709-V717 HydrophobicContact CE1-CB 3.81Å; F709-V717 HydrophobicContact CE1-CG1 3.86Å; F709-V717 HydrophobicContact CE2-CB 3.7Å; F709-V717 HydrophobicContact CE2-CG1 4.24Å; F709-V717 HydrophobicContact CE2-CG2 3.56Å; F709-V717 HydrophobicContact CG-CB 4.45Å; F709-V717 HydrophobicContact CZ-CB 3.52Å; F709-V717 HydrophobicContact CZ-CG1 3.6Å; F709-V717 HydrophobicContact CZ-CG2 3.82Å; F709-V717 PolarHBondContact N-O 3.49Å; F709-V717 PolarHBondContact O-N 2.87Å
710	L	98.8	Very high	97.8	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	139.9	176.9	-63.5	154.8	0	0	0	110.5	I689 R690 L692 E695 F696 G712 I715 M716 W737	I689-L710 CarbonylContact C-O 3.59Å; I689-L710 WeakPolarHBondContact CA-O 3.44Å; R690-L710 HydrophobicContact CB-CB 4.31Å; R690-L710 PolarHBondContact N-O 3.2Å; R690-L710 PolarHBondContact O-N 3.2Å; L692-L710 HydrophobicContact CD1-CD1 4.26Å; L692-L710 HydrophobicContact CD1-CG 4.09Å; L692-L710 HydrophobicContact CG-CD1 4.2Å; L692-L710 HydrophobicContact CG-CG 4.48Å; E695-L710 HydrophobicContact CB-CD1 3.79Å; E695-L710 HydrophobicContact CG-CD1 3.58Å; F696-L710 HydrophobicContact CE2-CD1 4.17Å; L710-G712 WeakPolarHBondContact CB-O 3.27Å; L710-I715 CarbonylContact C-O 3.56Å; L710-I715 WeakPolarHBondContact CA-O 3.44Å; L710-M716 HydrophobicContact CD2-CB 3.6Å; L710-M716 HydrophobicContact CD2-CG 4.05Å; L710-W737 HydrophobicContact CD2-CH2 4.15Å
711	W	98.6	Very high	97.8	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	110.9	153.8	-82	18.4	0	0	0	108.1	F632 L670 Y673 L674 L677 I689 F709 S713 C714 I715	F632-W711 HydrophobicContact CB-CZ2 4.1Å; F632-W711 HydrophobicContact CD1-CH2 4.27Å; F632-W711 HydrophobicContact CD1-CZ2 4.07Å; F632-W711 WeakPolarHBondContact O-CZ2 3.49Å; F632-W711 PolarHBondContact O-NE1 3.45Å; L670-W711 HydrophobicContact CB-CZ3 3.8Å; L670-W711 HydrophobicContact CD1-CZ3 4.41Å; Y673-W711 HydrophobicContact CD1-CE3 4.23Å; Y673-W711 HydrophobicContact CE1-CB 3.84Å; Y673-W711 WeakPolarHBondContact CE1-O 3.46Å; Y673-W711 PolarHBondContact OH-O 2.82Å; L674-W711 HydrophobicContact CB-CE3 4.17Å; L674-W711 HydrophobicContact CB-CH2 4.13Å; L674-W711 HydrophobicContact CB-CZ3 3.77Å; L674-W711 HydrophobicContact CD1-CD2 4.17Å; L674-W711 HydrophobicContact CD1-CE3 4.26Å; L674-W711 HydrophobicContact CD1-CH2 4.26Å; L674-W711 HydrophobicContact CD1-CZ2 4.13Å; L674-W711 HydrophobicContact CD1-CZ3 4.32Å; L674-W711 HydrophobicContact CD2-CH2 3.68Å; L674-W711 HydrophobicContact CD2-CZ2 3.94Å; L674-W711 HydrophobicContact CD2-CZ3 4.21Å; L674-W711 HydrophobicContact CG-CH2 4.24Å; L674-W711 HydrophobicContact CG-CZ3 4.32Å; L677-W711 HydrophobicContact CD1-CB 4.01Å; I689-W711 HydrophobicContact CD1-CG 4.25Å; F709-W711 AromaticContact CE2-CD1 3.87Å; W711-S713 PolarHBondContact O-N 3.5Å; W711-C714 PolarHBondContact O-N 3.11Å; W711-I715 HydrophobicContact CB-CB 4.24Å; W711-I715 PolarHBondContact N-O 3.02Å; W711-I715 PolarHBondContact O-N 3.06Å
712	G	98.1	Very high	97.8	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.8	-135.8	-172.7	0	0	0	0	0	110.7	L677 V688 R690 L710	L677-G712 VanDerWaalsContact CD1-N 3.33Å; V688-G712 PolarHBondContact O-N 3.08Å; R690-G712 WeakPolarHBondContact CD-O 3.27Å; L710-G712 WeakPolarHBondContact CB-O 3.27Å
713	S	96.9	Very high	97.7	Very high	39 Å²	39	23.2 Å²	23.2	27%	0.273	12%	0.118	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101	-3.9	178.8	58.4	0	0	0	0	114.1	E695 W711 R768	E695-S713 WeakPolarHBondContact OE2-CB 3.44Å; W711-S713 PolarHBondContact O-N 3.5Å; S713-R768 WeakPolarHBondContact O-CD 3.47Å
714	C	98.4	Very high	97.6	Very high	7 Å²	7	25.9 Å²	25.9	5%	0.047	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111	-40.9	-162	-65.7	0	0	0	0	115.9	Y673 W711 I767 R768 C771 V773	Y673-C714 HydrophobicContact CE2-CB 4.43Å; Y673-C714 WeakPolarHBondContact OH-CB 3.43Å; Y673-C714 PolarHBondContact OH-N 3.41Å; W711-C714 PolarHBondContact O-N 3.11Å; C714-I767 CarbonylContact O-C 3.47Å; C714-I767 WeakPolarHBondContact O-CA 3.48Å; C714-R768 PolarHBondContact O-N 3.19Å; C714-C771 WeakPolarHBondContact CA-SG 3.27Å; C714-C771 HydrophobicContact CB-CB 3.54Å; C714-C771 WeakPolarHBondContact CB-SG 3.17Å; C714-C771 WeakPolarHBondContact SG-CB 3.43Å; C714-C771 CovalentContact SG-SG 2.04Å; C714-C771 PolarHBondContact SG-SG 3.03Å; C714-V773 HydrophobicContact CB-CG2 4.05Å
715	I	98.7	Very high	97.6	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	114.4	-173.5	-57.5	176.3	0	0	0	108.4	L670 Y673 L710 W711 L765 D766 V773	L670-I715 HydrophobicContact CD1-CD1 4.04Å; L670-I715 HydrophobicContact CD2-CD1 3.76Å; L670-I715 HydrophobicContact CG-CD1 4.46Å; Y673-I715 HydrophobicContact CD1-CD1 3.63Å; Y673-I715 HydrophobicContact CD1-CG1 4.35Å; Y673-I715 HydrophobicContact CE1-CD1 3.72Å; Y673-I715 HydrophobicContact CE1-CG1 3.95Å; L710-I715 CarbonylContact C-O 3.56Å; L710-I715 WeakPolarHBondContact CA-O 3.44Å; W711-I715 HydrophobicContact CB-CB 4.24Å; W711-I715 PolarHBondContact N-O 3.02Å; W711-I715 PolarHBondContact O-N 3.06Å; I715-L765 HydrophobicContact CG2-CD2 4.48Å; I715-D766 CarbonylContact C-O 3.59Å; I715-D766 WeakPolarHBondContact CA-O 3.47Å; I715-V773 HydrophobicContact CD1-CG1 4.08Å; I715-V773 HydrophobicContact CG1-CG2 4.37Å
716	M	98.7	Very high	97.6	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	129.9	173	-169.9	172.8	67.3	0	0	109.8	L692 Q708 L710 V730 Y732 W737 L765 D766	L692-M716 HydrophobicContact CD2-SD 4.11Å; Q708-M716 PolarHBondContact NE2-SD 3.03Å; Q708-M716 VanDerWaalsContact NE2-SD 3.35Å; L710-M716 HydrophobicContact CD2-CB 3.6Å; L710-M716 HydrophobicContact CD2-CG 4.05Å; M716-V730 HydrophobicContact CE-CG1 4.07Å; M716-Y732 HydrophobicContact CE-CD1 3.6Å; M716-Y732 HydrophobicContact CE-CE1 3.5Å; M716-Y732 HydrophobicContact CE-CG 4.46Å; M716-W737 HydrophobicContact CB-CH2 4.17Å; M716-W737 HydrophobicContact CB-CZ3 3.73Å; M716-W737 HydrophobicContact CE-CE3 4.38Å; M716-W737 HydrophobicContact CE-CZ3 4.41Å; M716-W737 HydrophobicContact SD-CH2 4.14Å; M716-W737 HydrophobicContact SD-CZ2 4.48Å; M716-W737 HydrophobicContact SD-CZ3 4.32Å; M716-L765 WeakPolarHBondContact O-CA 3.43Å; M716-D766 HydrophobicContact CB-CB 4.42Å; M716-D766 HydrophobicContact CE-CB 4.06Å; M716-D766 PolarHBondContact N-O 2.81Å; M716-D766 PolarHBondContact O-N 2.7Å
717	V	98.7	Very high	97.7	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	120.6	176.7	-170.2	0	0	0	0	108.3	F632 F709 P719 I763 L765	F632-V717 HydrophobicContact CB-CG1 4.24Å; F632-V717 HydrophobicContact CB-CG2 4.14Å; F632-V717 HydrophobicContact CD1-CG2 4.16Å; F632-V717 HydrophobicContact CD2-CG1 4.25Å; F632-V717 HydrophobicContact CG-CG1 4.2Å; F632-V717 HydrophobicContact CG-CG2 4.12Å; F709-V717 HydrophobicContact CD1-CB 4.27Å; F709-V717 HydrophobicContact CD2-CB 4.15Å; F709-V717 HydrophobicContact CD2-CG2 4.16Å; F709-V717 HydrophobicContact CE1-CB 3.81Å; F709-V717 HydrophobicContact CE1-CG1 3.86Å; F709-V717 HydrophobicContact CE2-CB 3.7Å; F709-V717 HydrophobicContact CE2-CG1 4.24Å; F709-V717 HydrophobicContact CE2-CG2 3.56Å; F709-V717 HydrophobicContact CG-CB 4.45Å; F709-V717 HydrophobicContact CZ-CB 3.52Å; F709-V717 HydrophobicContact CZ-CG1 3.6Å; F709-V717 HydrophobicContact CZ-CG2 3.82Å; F709-V717 PolarHBondContact N-O 3.49Å; F709-V717 PolarHBondContact O-N 2.87Å; V717-P719 WeakPolarHBondContact O-CD 3.41Å; V717-I763 HydrophobicContact CG1-CD1 3.95Å; V717-L765 HydrophobicContact CB-CD2 4.13Å; V717-L765 HydrophobicContact CG1-CD2 3.89Å; V717-L765 HydrophobicContact CG2-CD2 3.76Å
718	S	98.4	Very high	97.6	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	75.4	-177.9	-69.4	0	0	0	0	108.9	Q708 R728 V730 L764	Q708-S718 PolarHBondContact NE2-OG 2.82Å; S718-R728 VanDerWaalsContact C-NE 3.33Å; S718-R728 WeakPolarHBondContact O-CD 3.34Å; S718-R728 PolarHBondContact O-NE 2.97Å; S718-V730 WeakPolarHBondContact OG-CG1 3.35Å; S718-L764 PolarHBondContact N-O 2.83Å; S718-L764 WeakPolarHBondContact O-CB 3.23Å
719	P	98.2	Very high	97.5	Very high	2 Å²	2	31.6 Å²	31.6	1%	0.013	18%	0.183	C	C	.	.			trans	-69	146.4	-171.8	30.4	-37.2	0	0	0	112.6	I593 L629 D707 V717 I721 R728	I593-P719 HydrophobicContact CD1-CG 3.67Å; L629-P719 HydrophobicContact CB-CB 3.99Å; L629-P719 HydrophobicContact CD1-CB 3.91Å; L629-P719 HydrophobicContact CD1-CG 3.88Å; L629-P719 HydrophobicContact CD2-CB 4.27Å; L629-P719 HydrophobicContact CD2-CG 4.28Å; L629-P719 HydrophobicContact CG-CB 4.26Å; D707-P719 WeakPolarHBondContact O-CD 3.41Å; V717-P719 WeakPolarHBondContact O-CD 3.41Å; P719-I721 HydrophobicContact CB-CG2 4.13Å; P719-I721 HydrophobicContact CG-CG2 3.89Å; P719-I721 PolarHBondContact O-N 2.98Å; P719-R728 WeakPolarHBondContact O-CD 3.38Å; P719-R728 PolarHBondContact O-NE 2.57Å; P719-R728 PolarHBondContact O-NH1 3.39Å; P719-R728 PolarHBondContact O-NH2 3.19Å
720	V	98.1	Very high	97.5	Very high	4 Å²	4	31.4 Å²	31.4	2%	0.024	18%	0.182	C	C	.	.			trans	-80.2	112.7	171	-177.3	0	0	0	0	109	A725 R728 C758	V720-A725 HydrophobicContact CG1-CB 3.74Å; V720-R728 HydrophobicContact CG2-CB 4.49Å; V720-C758 HydrophobicContact CG2-CB 4.04Å; V720-C758 VanDerWaalsContact CG2-SG 3.53Å
721	I	96.6	Very high	97.5	Very high	16 Å²	16	31.8 Å²	31.8	8%	0.082	18%	0.183	C	C	.	.			trans	-112.3	10	-171.1	61.1	176.5	0	0	0	113.8	L589 K590 I593 D707 P719	L589-I721 HydrophobicContact CD2-CB 4.27Å; L589-I721 HydrophobicContact CD2-CG2 4.22Å; L589-I721 HydrophobicContact CG-CG2 4.31Å; K590-I721 HydrophobicContact CB-CD1 4.11Å; K590-I721 HydrophobicContact CD-CD1 3.99Å; K590-I721 HydrophobicContact CG-CD1 3.81Å; I593-I721 HydrophobicContact CD1-CG2 4.3Å; D707-I721 HydrophobicContact CB-CD1 3.78Å; P719-I721 HydrophobicContact CB-CG2 4.13Å; P719-I721 HydrophobicContact CG-CG2 3.89Å; P719-I721 PolarHBondContact O-N 2.98Å
722	E	96.3	Very high	97.5	Very high	134 Å²	134	31.8 Å²	31.8	63%	0.626	18%	0.183	S	C	*	.	S	Bend	trans	-117	139.4	179.3	-68.6	175.9	-168.9	0	0	110.2	G724 A725	E722-G724 PolarHBondContact O-N 2.97Å; E722-A725 HydrophobicContact CB-CB 3.95Å; E722-A725 WeakPolarHBondContact O-CB 3.28Å; E722-A725 PolarHBondContact O-N 3.17Å
723	E	96.3	Very high	97.5	Very high	126 Å²	126	31.8 Å²	31.8	59%	0.589	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65	132	179.8	-169.3	161.7	-153.4	0	0	111.8	W586 A725	W586-E723 HydrophobicContact CD2-CB 4.02Å; W586-E723 VanDerWaalsContact CE2-CB 3.45Å; W586-E723 HydrophobicContact CG-CB 4.48Å; W586-E723 HydrophobicContact CH2-CB 4.25Å; W586-E723 HydrophobicContact CZ2-CB 3.6Å; W586-E723 HydrophobicContact CZ2-CG 3.61Å; W586-E723 PolarHBondContact NE1-OE2 3.35Å; E723-A725 PolarHBondContact O-N 3.38Å; E723-A725 VanDerWaalsContact O-N 3.11Å
724	G	95.5	Very high	97.4	Very high	69 Å²	69	37.6 Å²	37.6	71%	0.711	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	68.5	5.5	177	0	0	0	0	0	115.3	E722 I726	E722-G724 PolarHBondContact O-N 2.97Å; G724-I726 PolarHBondContact O-N 2.83Å
725	A	96.6	Very high	97.3	Very high	16 Å²	16	37.8 Å²	37.8	13%	0.132	21%	0.206	C	C	.	.			trans	-63.9	130.1	-179.3	0	0	0	0	0	112.2	R625 V720 E722 E723	R625-A725 PolarHBondContact NH2-O 3.07Å; V720-A725 HydrophobicContact CG1-CB 3.74Å; E722-A725 HydrophobicContact CB-CB 3.95Å; E722-A725 WeakPolarHBondContact O-CB 3.28Å; E722-A725 PolarHBondContact O-N 3.17Å; E723-A725 PolarHBondContact O-N 3.38Å; E723-A725 VanDerWaalsContact O-N 3.11Å
726	I	96.6	Very high	97.2	Very high	128 Å²	128	39.2 Å²	39.2	66%	0.656	21%	0.211	S	C	*	.	S	Bend	trans	-106.2	1.9	175.5	61.9	166.4	0	0	0	112.7	G724 C758	G724-I726 PolarHBondContact O-N 2.83Å; I726-C758 CarbonylContact C-O 3.46Å; I726-C758 VanDerWaalsContact C-O 3.23Å; I726-C758 VanDerWaalsContact CA-O 3.25Å; I726-C758 WeakPolarHBondContact CA-O 3.45Å; I726-C758 PolarHBondContact O-N 3.41Å
727	S	97.3	Very high	97.2	Very high	37 Å²	37	39.3 Å²	39.3	26%	0.259	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.2	160.5	172.8	55.2	0	0	0	0	110	L755 V756 C758	S727-L755 WeakPolarHBondContact OG-CD1 3.4Å; S727-V756 CarbonylContact C-O 3.56Å; S727-V756 WeakPolarHBondContact CA-O 3.25Å; S727-V756 WeakPolarHBondContact CB-O 3.48Å; S727-C758 VanDerWaalsContact CA-SG 3.53Å; S727-C758 PolarHBondContact N-SG 3.47Å; S727-C758 VanDerWaalsContact N-SG 3.39Å
728	R	96	Very high	97.2	Very high	18 Å²	18	39.3 Å²	39.3	7%	0.068	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	132.6	177.9	177.9	173.3	167.6	83.7	-5.4	110	D707 S718 P719 V720 V730 V756 L764	D707-R728 PolarHBondContact O-NH2 2.91Å; D707-R728 IonicContact OD2-NH1 3.55Å; D707-R728 IonicContact OD2-NH2 3.71Å; S718-R728 VanDerWaalsContact C-NE 3.33Å; S718-R728 WeakPolarHBondContact O-CD 3.34Å; S718-R728 PolarHBondContact O-NE 2.97Å; P719-R728 WeakPolarHBondContact O-CD 3.38Å; P719-R728 PolarHBondContact O-NE 2.57Å; P719-R728 PolarHBondContact O-NH1 3.39Å; P719-R728 PolarHBondContact O-NH2 3.19Å; V720-R728 HydrophobicContact CG2-CB 4.49Å; R728-V730 HydrophobicContact CB-CG2 4.32Å; R728-V730 HydrophobicContact CG-CG2 3.83Å; R728-V730 PolarHBondContact O-N 3.24Å; R728-V756 PolarHBondContact N-O 2.86Å; R728-V756 PolarHBondContact O-N 3.2Å; R728-L764 HydrophobicContact CB-CD1 4Å; R728-L764 HydrophobicContact CG-CD1 4.39Å
729	D	97	Very high	97.1	Very high	63 Å²	63	40 Å²	40	34%	0.337	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	109.7	172.5	-171.7	24.9	0	0	0	109.8	R753 S754 L755	D729-R753 WeakPolarHBondContact OD1-CB 3.25Å; D729-R753 WeakPolarHBondContact OD2-CD 3.03Å; D729-R753 IonicContact OD2-CZ 3.47Å; D729-R753 IonicContact OD2-NE 3.34Å; D729-R753 IonicContact OD2-NH1 3.86Å; D729-R753 PolarHBondContact OD2-NH1 3.28Å; D729-S754 PolarHBondContact OD1-N 2.9Å; D729-L755 HydrophobicContact CB-CD1 4.44Å
730	V	98.2	Very high	97.1	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	129.9	-173.6	-178.3	0	0	0	0	109.8	M716 S718 R728 Y732 R753 S754 V756 L764	M716-V730 HydrophobicContact CE-CG1 4.07Å; S718-V730 WeakPolarHBondContact OG-CG1 3.35Å; R728-V730 HydrophobicContact CB-CG2 4.32Å; R728-V730 HydrophobicContact CG-CG2 3.83Å; R728-V730 PolarHBondContact O-N 3.24Å; V730-Y732 HydrophobicContact CB-CD2 4.39Å; V730-Y732 HydrophobicContact CB-CE2 3.7Å; V730-Y732 HydrophobicContact CG1-CD2 4.08Å; V730-Y732 HydrophobicContact CG1-CE1 4.23Å; V730-Y732 HydrophobicContact CG1-CE2 3.54Å; V730-R753 CarbonylContact O-C 3.51Å; V730-R753 VanDerWaalsContact O-CA 3.31Å; V730-R753 WeakPolarHBondContact O-CA 3.18Å; V730-S754 PolarHBondContact N-O 3.33Å; V730-S754 PolarHBondContact O-N 2.8Å; V730-V756 HydrophobicContact CB-CG2 4.2Å; V730-V756 HydrophobicContact CG2-CB 4.42Å; V730-V756 HydrophobicContact CG2-CG2 4.04Å; V730-L764 HydrophobicContact CG2-CD1 3.59Å
731	Y	98.5	Very high	97	Very high	8 Å²	8	44.3 Å²	44.3	3%	0.031	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	129.1	168.6	-172.6	-110.6	0	0	0	111.4	L692 D699 N701 T702 L705 Q708 P733 R753	L692-Y731 HydrophobicContact CD2-CD1 4.47Å; D699-Y731 VanDerWaalsContact CG-OH 3.3Å; D699-Y731 PolarHBondContact OD1-OH 2.73Å; D699-Y731 VanDerWaalsContact OD1-OH 3.09Å; D699-Y731 PolarHBondContact OD2-OH 3.49Å; N701-Y731 HydrophobicContact CB-CE1 3.81Å; N701-Y731 HydrophobicContact CB-CE2 3.84Å; N701-Y731 VanDerWaalsContact CB-CZ 3.41Å; N701-Y731 WeakPolarHBondContact CB-OH 3.11Å; N701-Y731 PolarHBondContact ND2-OH 3.27Å; N701-Y731 VanDerWaalsContact ND2-OH 3.13Å; T702-Y731 HydrophobicContact CG2-CD1 4.31Å; T702-Y731 HydrophobicContact CG2-CE1 3.85Å; L705-Y731 HydrophobicContact CD1-CD1 3.48Å; L705-Y731 VanDerWaalsContact CD1-CD1 3.48Å; L705-Y731 HydrophobicContact CD1-CE1 4.41Å; L705-Y731 HydrophobicContact CD1-CG 3.94Å; Q708-Y731 PolarHBondContact NE2-O 3.29Å; Y731-P733 HydrophobicContact CD1-CG 4.02Å; Y731-P733 HydrophobicContact CE1-CB 4.28Å; Y731-P733 HydrophobicContact CE1-CG 3.91Å; Y731-R753 HydrophobicContact CD2-CG 3.68Å; Y731-R753 HydrophobicContact CG-CG 4.37Å
732	Y	98.3	Very high	96.9	Very high	1 Å²	1	49.1 Å²	49.1	0%	0.004	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	104.2	175	-70.4	-83.8	0	0	0	109.2	M716 V730 W737 H746 L749 G751 K752 V756 D766	M716-Y732 HydrophobicContact CE-CD1 3.6Å; M716-Y732 HydrophobicContact CE-CE1 3.5Å; M716-Y732 HydrophobicContact CE-CG 4.46Å; V730-Y732 HydrophobicContact CB-CD2 4.39Å; V730-Y732 HydrophobicContact CB-CE2 3.7Å; V730-Y732 HydrophobicContact CG1-CD2 4.08Å; V730-Y732 HydrophobicContact CG1-CE1 4.23Å; V730-Y732 HydrophobicContact CG1-CE2 3.54Å; Y732-W737 HydrophobicContact CD1-CB 3.94Å; Y732-W737 AromaticContact CD1-CD1 3.82Å; Y732-W737 HydrophobicContact CD1-CD2 4.15Å; Y732-W737 AromaticContact CD1-CG 3.7Å; Y732-W737 HydrophobicContact CD1-CG 3.7Å; Y732-W737 HydrophobicContact CE1-CB 4.29Å; Y732-W737 HydrophobicContact CE1-CG 4.42Å; Y732-H746 AromaticContact CE1-CD2 3.97Å; Y732-L749 WeakPolarHBondContact CB-O 3.24Å; Y732-L749 HydrophobicContact CD2-CB 3.93Å; Y732-L749 HydrophobicContact CD2-CD1 3.85Å; Y732-L749 HydrophobicContact CD2-CG 4.48Å; Y732-L749 HydrophobicContact CE2-CD1 3.58Å; Y732-L749 HydrophobicContact CG-CB 4.04Å; Y732-L749 HydrophobicContact CG-CD1 4.46Å; Y732-G751 CarbonylContact O-C 3.47Å; Y732-G751 WeakPolarHBondContact O-CA 3.49Å; Y732-G751 PolarHBondContact O-N 3.21Å; Y732-K752 PolarHBondContact N-O 2.71Å; Y732-K752 PolarHBondContact O-N 3.32Å; Y732-V756 HydrophobicContact CE2-CG2 4.13Å; Y732-D766 HydrophobicContact CE1-CB 4.26Å; Y732-D766 WeakPolarHBondContact CE1-OD2 3.37Å; Y732-D766 PolarHBondContact OH-OD2 3.37Å
733	P	97.7	Very high	96.8	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	25%	0.245	C	C	.	.			trans	-57.4	165.4	173.7	-25.1	34.1	0	0	0	112.5	L692 F696 T702 Y731 A735 W737	L692-P733 HydrophobicContact CD2-CG 3.67Å; L692-P733 HydrophobicContact CG-CG 4.3Å; F696-P733 HydrophobicContact CB-CB 4.33Å; F696-P733 HydrophobicContact CD1-CB 3.62Å; F696-P733 HydrophobicContact CD2-CB 3.67Å; F696-P733 HydrophobicContact CD2-CG 3.72Å; F696-P733 HydrophobicContact CE1-CB 3.69Å; F696-P733 HydrophobicContact CE2-CB 3.76Å; F696-P733 HydrophobicContact CE2-CG 3.81Å; F696-P733 HydrophobicContact CG-CB 3.61Å; F696-P733 HydrophobicContact CG-CG 4.13Å; F696-P733 HydrophobicContact CZ-CB 3.76Å; F696-P733 HydrophobicContact CZ-CG 4.25Å; T702-P733 HydrophobicContact CG2-CG 4.19Å; Y731-P733 HydrophobicContact CD1-CG 4.02Å; Y731-P733 HydrophobicContact CE1-CB 4.28Å; Y731-P733 HydrophobicContact CE1-CG 3.91Å; P733-A735 PolarHBondContact O-N 2.73Å; P733-W737 HydrophobicContact CB-CZ2 4.4Å; P733-W737 HydrophobicContact CG-CZ2 4.31Å; P733-W737 PolarHBondContact O-NE1 3.01Å
734	K	95.9	Very high	96.8	Very high	160 Å²	160	42.9 Å²	42.9	70%	0.696	23%	0.232	S	C	*	.	S	Bend	trans	-62.8	101.3	-179.2	-69.7	-177.8	-176.7	172.7	0	112.4	S750	K734-S750 WeakPolarHBondContact CA-OG 3.27Å
735	A	96.3	Very high	96.8	Very high	12 Å²	12	42 Å²	42	10%	0.099	21%	0.209	C	C	.	.	S	Bend	trans	-170.8	171.4	171.6	0	0	0	0	0	109.6	P733 W737 S750 R768	P733-A735 PolarHBondContact O-N 2.73Å; A735-W737 HydrophobicContact CB-CZ2 4.41Å; A735-S750 PolarHBondContact N-OG 3.19Å; A735-S750 VanDerWaalsContact N-OG 3.12Å; A735-S750 VanDerWaalsContact O-CB 3.3Å; A735-S750 WeakPolarHBondContact O-CB 3.34Å; A735-S750 PolarHBondContact O-OG 3.18Å; A735-R768 HydrophobicContact CB-CG 3.88Å
736	R	97	Very high	96.8	Very high	29 Å²	29	43.3 Å²	43.3	11%	0.109	21%	0.212	C	C	.	.			trans	-71.5	137.6	157.5	-65.7	175.6	73.9	-171	3.2	108.4	F738 E745 G769 L796 S797 E798 G863	R736-F738 HydrophobicContact CB-CE2 3.82Å; R736-F738 HydrophobicContact CB-CZ 4.22Å; R736-E745 IonicContact CZ-OE1 2.64Å; R736-E745 IonicContact CZ-OE2 2.82Å; R736-E745 IonicContact NE-OE1 2.82Å; R736-E745 PolarHBondContact NE-OE1 2.77Å; R736-E745 IonicContact NE-OE2 3.99Å; R736-E745 VanDerWaalsContact NH2-CD 3.34Å; R736-E745 IonicContact NH2-OE1 3.32Å; R736-E745 PolarHBondContact NH2-OE1 2.87Å; R736-E745 IonicContact NH2-OE2 3.62Å; R736-E745 PolarHBondContact NH2-OE2 3.28Å; R736-G769 PolarHBondContact O-N 3.16Å; R736-L796 PolarHBondContact NH1-O 3.09Å; R736-L796 VanDerWaalsContact NH1-O 3.1Å; R736-S797 VanDerWaalsContact CD-C 3.44Å; R736-S797 PolarHBondContact NH1-O 3.43Å; R736-E798 HydrophobicContact CG-CG 3.77Å; R736-G863 PolarHBondContact NH1-O 3.39Å; R736-G863 VanDerWaalsContact NH2-CA 3.33Å; R736-G863 PolarHBondContact NH2-O 2.88Å
737	W	98	Very high	96.5	Very high	3 Å²	3	42.7 Å²	42.7	1%	0.011	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	139.9	177.2	-68.8	100.4	0	0	0	109.6	F696 L710 M716 Y732 P733 A735 H746 D766 I767 R768	F696-W737 HydrophobicContact CE2-CH2 4.37Å; F696-W737 HydrophobicContact CE2-CZ2 4.16Å; F696-W737 HydrophobicContact CZ-CH2 4.22Å; F696-W737 AromaticContact CZ-CZ2 3.78Å; F696-W737 HydrophobicContact CZ-CZ2 3.78Å; L710-W737 HydrophobicContact CD2-CH2 4.15Å; M716-W737 HydrophobicContact CB-CH2 4.17Å; M716-W737 HydrophobicContact CB-CZ3 3.73Å; M716-W737 HydrophobicContact CE-CE3 4.38Å; M716-W737 HydrophobicContact CE-CZ3 4.41Å; M716-W737 HydrophobicContact SD-CH2 4.14Å; M716-W737 HydrophobicContact SD-CZ2 4.48Å; M716-W737 HydrophobicContact SD-CZ3 4.32Å; Y732-W737 HydrophobicContact CD1-CB 3.94Å; Y732-W737 AromaticContact CD1-CD1 3.82Å; Y732-W737 HydrophobicContact CD1-CD2 4.15Å; Y732-W737 AromaticContact CD1-CG 3.7Å; Y732-W737 HydrophobicContact CD1-CG 3.7Å; Y732-W737 HydrophobicContact CE1-CB 4.29Å; Y732-W737 HydrophobicContact CE1-CG 4.42Å; P733-W737 HydrophobicContact CB-CZ2 4.4Å; P733-W737 HydrophobicContact CG-CZ2 4.31Å; P733-W737 PolarHBondContact O-NE1 3.01Å; A735-W737 HydrophobicContact CB-CZ2 4.41Å; W737-H746 HydrophobicContact CB-CB 4.46Å; W737-H746 WeakPolarHBondContact O-CB 3.07Å; W737-H746 PolarHBondContact O-N 3.1Å; W737-D766 HydrophobicContact CE3-CB 4.1Å; W737-I767 WeakPolarHBondContact CA-O 3.4Å; W737-R768 HydrophobicContact CE3-CB 4.07Å; W737-R768 HydrophobicContact CH2-CB 3.86Å; W737-R768 HydrophobicContact CH2-CG 4.03Å; W737-R768 HydrophobicContact CZ2-CG 4.27Å; W737-R768 HydrophobicContact CZ3-CB 3.6Å; W737-R768 HydrophobicContact CZ3-CG 4.21Å
738	F	98.1	Very high	96.1	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	133.1	-177.6	-58.9	-96.3	0	0	0	109.1	R736 Y740 T744 E745 D766 I767 A795 M862	R736-F738 HydrophobicContact CB-CE2 3.82Å; R736-F738 HydrophobicContact CB-CZ 4.22Å; F738-Y740 PolarHBondContact O-N 2.98Å; F738-T744 CarbonylContact C-O 3.52Å; F738-T744 WeakPolarHBondContact CA-O 3.06Å; F738-E745 HydrophobicContact CD1-CB 3.69Å; F738-E745 HydrophobicContact CD1-CG 4.12Å; F738-E745 HydrophobicContact CE1-CB 3.6Å; F738-E745 HydrophobicContact CE1-CG 3.78Å; F738-E745 HydrophobicContact CZ-CG 4.22Å; F738-D766 CarbonylContact O-C 3.23Å; F738-D766 VanDerWaalsContact O-CA 3.25Å; F738-D766 WeakPolarHBondContact O-CA 3.35Å; F738-I767 PolarHBondContact N-O 3.42Å; F738-I767 PolarHBondContact O-N 3.26Å; F738-A795 HydrophobicContact CD2-CB 3.77Å; F738-A795 HydrophobicContact CE2-CB 3.95Å; F738-A795 HydrophobicContact CG-CB 4.46Å; F738-M862 HydrophobicContact CB-CE 3.89Å; F738-M862 HydrophobicContact CB-SD 4.3Å; F738-M862 HydrophobicContact CD1-CB 3.96Å; F738-M862 HydrophobicContact CE1-CB 4.19Å; F738-M862 HydrophobicContact CG-CE 4.19Å
739	S	97.1	Very high	95.9	Very high	14 Å²	14	47.6 Å²	47.6	10%	0.098	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.8	124	169	174.6	0	0	0	0	109.4	N742 R743 T744 D766	S739-N742 PolarHBondContact OG-N 3Å; S739-R743 VanDerWaalsContact O-CA 3.22Å; S739-R743 WeakPolarHBondContact O-CA 3.08Å; S739-R743 PolarHBondContact O-N 3.31Å; S739-T744 PolarHBondContact N-O 2.87Å; S739-D766 WeakPolarHBondContact CA-OD1 3.29Å
740	Y	97.9	Very high	95.7	Very high	13 Å²	13	47 Å²	47	5%	0.051	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-48.6	178.2	169.3	-100.2	0	0	0	111.5	E666 R669 L670 F738 L765 I767 M775 L793	E666-Y740 PolarHBondContact OE2-OH 3.19Å; R669-Y740 WeakPolarHBondContact CD-OH 3.42Å; L670-Y740 HydrophobicContact CD1-CE2 4.44Å; L670-Y740 HydrophobicContact CD2-CE2 3.95Å; F738-Y740 PolarHBondContact O-N 2.98Å; Y740-L765 VanDerWaalsContact CB-O 3.24Å; Y740-L765 WeakPolarHBondContact CB-O 3.35Å; Y740-L765 HydrophobicContact CD1-CB 4.23Å; Y740-L765 HydrophobicContact CD1-CD1 3.92Å; Y740-L765 HydrophobicContact CE1-CD1 4.36Å; Y740-L765 HydrophobicContact CG-CB 4.2Å; Y740-L765 PolarHBondContact N-O 3.42Å; Y740-I767 HydrophobicContact CD2-CD1 3.71Å; Y740-I767 HydrophobicContact CD2-CG1 4.24Å; Y740-M775 HydrophobicContact CE2-SD 4.22Å; Y740-L793 HydrophobicContact CD2-CD2 4.02Å; Y740-L793 HydrophobicContact CE2-CD2 3.99Å
741	F	96	Very high	95.5	Very high	83 Å²	83	48.2 Å²	48.2	36%	0.364	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73	-48.6	-175.2	-69.2	-69.6	0	0	0	112.8	I663 E666 R743 I763 L765	I663-F741 HydrophobicContact CD1-CZ 4.08Å; E666-F741 HydrophobicContact CG-CE1 3.86Å; E666-F741 HydrophobicContact CG-CZ 4.35Å; F741-R743 VanDerWaalsContact C-N 3.31Å; F741-I763 HydrophobicContact CE2-CG2 4.09Å; F741-I763 WeakPolarHBondContact CE2-O 3.3Å; F741-I763 HydrophobicContact CZ-CG2 4.32Å; F741-L765 HydrophobicContact CD2-CB 4.46Å; F741-L765 HydrophobicContact CE2-CB 4.08Å; F741-L765 HydrophobicContact CE2-CD1 3.48Å; F741-L765 VanDerWaalsContact CE2-CD1 3.48Å; F741-L765 HydrophobicContact CE2-CG 3.92Å; F741-L765 HydrophobicContact CZ-CD1 3.59Å; F741-L765 HydrophobicContact CZ-CG 4.49Å
742	N	94	Very high	95.4	Very high	117 Å²	117	53.2 Å²	53.2	63%	0.626	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.9	-16.2	-176.4	-64.6	-15.1	0	0	0	112.5	S739 T744	S739-N742 PolarHBondContact OG-N 3Å; N742-T744 HydrophobicContact CB-CG2 4.34Å; N742-T744 WeakPolarHBondContact CB-OG1 3.21Å; N742-T744 PolarHBondContact O-N 2.66Å
743	R	95.6	Very high	95.3	Very high	80 Å²	80	59.2 Å²	59.2	30%	0.302	29%	0.291	S	S	.	.			trans	59.5	22.3	-176.7	-51.5	175.6	-178.5	-152.2	-5.2	113.2	S739 F741 I860 M862 V888	S739-R743 VanDerWaalsContact O-CA 3.22Å; S739-R743 WeakPolarHBondContact O-CA 3.08Å; S739-R743 PolarHBondContact O-N 3.31Å; F741-R743 VanDerWaalsContact C-N 3.31Å; R743-I860 VanDerWaalsContact NH1-CG1 3.33Å; R743-M862 HydrophobicContact CB-CG 4.34Å; R743-M862 HydrophobicContact CB-SD 3.77Å; R743-M862 HydrophobicContact CG-SD 4.24Å; R743-V888 HydrophobicContact CB-CG2 3.91Å; R743-V888 WeakPolarHBondContact O-CG2 3.3Å
744	T	95.2	Very high	95.3	Very high	50 Å²	50	60.8 Å²	60.8	31%	0.307	30%	0.302	S	S	.	.			trans	-103.5	143.1	-178.8	51.7	0	0	0	0	110.9	F738 S739 N742	F738-T744 CarbonylContact C-O 3.52Å; F738-T744 WeakPolarHBondContact CA-O 3.06Å; S739-T744 PolarHBondContact N-O 2.87Å; N742-T744 HydrophobicContact CB-CG2 4.34Å; N742-T744 WeakPolarHBondContact CB-OG1 3.21Å; N742-T744 PolarHBondContact O-N 2.66Å
745	E	96.4	Very high	95.3	Very high	51 Å²	51	58.7 Å²	58.7	24%	0.238	30%	0.298	C	S	.	.	B	Isolated β-bridge	trans	-70.5	135.1	172.5	-171.2	168.9	-172.4	0	0	111.6	R736 F738 I747	R736-E745 IonicContact CZ-OE1 2.64Å; R736-E745 IonicContact CZ-OE2 2.82Å; R736-E745 IonicContact NE-OE1 2.82Å; R736-E745 PolarHBondContact NE-OE1 2.77Å; R736-E745 IonicContact NE-OE2 3.99Å; R736-E745 VanDerWaalsContact NH2-CD 3.34Å; R736-E745 IonicContact NH2-OE1 3.32Å; R736-E745 PolarHBondContact NH2-OE1 2.87Å; R736-E745 IonicContact NH2-OE2 3.62Å; R736-E745 PolarHBondContact NH2-OE2 3.28Å; F738-E745 HydrophobicContact CD1-CB 3.69Å; F738-E745 HydrophobicContact CD1-CG 4.12Å; F738-E745 HydrophobicContact CE1-CB 3.6Å; F738-E745 HydrophobicContact CE1-CG 3.78Å; F738-E745 HydrophobicContact CZ-CG 4.22Å; E745-I747 HydrophobicContact CB-CD1 4.35Å; E745-I747 HydrophobicContact CG-CD1 4.21Å; E745-I747 PolarHBondContact O-N 2.92Å
746	H	95.1	Very high	95.3	Very high	43 Å²	43	59.3 Å²	59.3	20%	0.199	30%	0.3	C	S	.	.			trans	-76.2	115.1	168	-71.7	-57	0	0	0	110.1	Y732 W737 L749 D766	Y732-H746 AromaticContact CE1-CD2 3.97Å; W737-H746 HydrophobicContact CB-CB 4.46Å; W737-H746 WeakPolarHBondContact O-CB 3.07Å; W737-H746 PolarHBondContact O-N 3.1Å; H746-L749 HydrophobicContact CB-CB 4.29Å; H746-L749 HydrophobicContact CB-CD1 3.66Å; H746-L749 HydrophobicContact CB-CG 3.95Å; H746-D766 IonicContact CD2-OD1 2.69Å; H746-D766 PolarHBondContact CD2-OD1 2.87Å; H746-D766 IonicContact CE1-OD1 3.42Å; H746-D766 IonicContact NE2-OD1 3.49Å; H746-D766 PolarHBondContact NE2-OD1 3.4Å; H746-D766 IonicContact NE2-OD2 3.75Å
747	I	90.6	Very high	95.2	Very high	114 Å²	114	63.7 Å²	63.7	59%	0.585	33%	0.33	S	S	*	.	S	Bend	trans	-86	134.4	-179.3	-52.8	-58.7	0	0	0	110	E745 L749	E745-I747 HydrophobicContact CB-CD1 4.35Å; E745-I747 HydrophobicContact CG-CD1 4.21Å; E745-I747 PolarHBondContact O-N 2.92Å; I747-L749 VanDerWaalsContact C-N 3.28Å; I747-L749 PolarHBondContact O-N 3.07Å
748	N	88.8	Confident	95	Very high	132 Å²	132	63.9 Å²	63.9	71%	0.706	33%	0.332	S	S	*	.	S	Bend	trans	63.8	15.9	173.7	-61.3	-34	0	0	0	117.2	K752	N748-K752 PolarHBondContact O-NZ 3.36Å
749	L	91.5	Very high	94.8	Very high	27 Å²	27	68.3 Å²	68.3	14%	0.141	36%	0.356	C	S	.	.			trans	-91.6	-18.6	179.7	-57.5	-165.1	0	0	0	114.8	Y732 H746 I747 G751 K752 S754	Y732-L749 WeakPolarHBondContact CB-O 3.24Å; Y732-L749 HydrophobicContact CD2-CB 3.93Å; Y732-L749 HydrophobicContact CD2-CD1 3.85Å; Y732-L749 HydrophobicContact CD2-CG 4.48Å; Y732-L749 HydrophobicContact CE2-CD1 3.58Å; Y732-L749 HydrophobicContact CG-CB 4.04Å; Y732-L749 HydrophobicContact CG-CD1 4.46Å; H746-L749 HydrophobicContact CB-CB 4.29Å; H746-L749 HydrophobicContact CB-CD1 3.66Å; H746-L749 HydrophobicContact CB-CG 3.95Å; I747-L749 VanDerWaalsContact C-N 3.28Å; I747-L749 PolarHBondContact O-N 3.07Å; L749-G751 PolarHBondContact O-N 2.93Å; L749-K752 WeakPolarHBondContact O-CB 2.94Å; L749-K752 PolarHBondContact O-N 3.36Å; L749-K752 VanDerWaalsContact O-N 3.08Å; L749-S754 WeakPolarHBondContact CD2-OG 3.49Å
750	S	92.9	Very high	94.7	Very high	50 Å²	50	72.9 Å²	72.9	35%	0.35	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.2	123.3	-177.6	-176	0	0	0	0	113	K734 A735	K734-S750 WeakPolarHBondContact CA-OG 3.27Å; A735-S750 PolarHBondContact N-OG 3.19Å; A735-S750 VanDerWaalsContact N-OG 3.12Å; A735-S750 VanDerWaalsContact O-CB 3.3Å; A735-S750 WeakPolarHBondContact O-CB 3.34Å; A735-S750 PolarHBondContact O-OG 3.18Å
751	G	95.2	Very high	94.5	Very high	25 Å²	25	74.9 Å²	74.9	26%	0.258	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	75	19.7	-179.6	0	0	0	0	0	115.3	Y732 L749	Y732-G751 CarbonylContact O-C 3.47Å; Y732-G751 WeakPolarHBondContact O-CA 3.49Å; Y732-G751 PolarHBondContact O-N 3.21Å; L749-G751 PolarHBondContact O-N 2.93Å
752	K	96.1	Very high	94.3	Very high	114 Å²	114	72.7 Å²	72.7	50%	0.496	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	157.9	-172.6	-60	177.8	-170.3	165.3	0	112.7	Y732 N748 L749	Y732-K752 PolarHBondContact N-O 2.71Å; Y732-K752 PolarHBondContact O-N 3.32Å; N748-K752 PolarHBondContact O-NZ 3.36Å; L749-K752 WeakPolarHBondContact O-CB 2.94Å; L749-K752 PolarHBondContact O-N 3.36Å; L749-K752 VanDerWaalsContact O-N 3.08Å
753	R	96.8	Very high	94.5	Very high	127 Å²	127	67.4 Å²	67.4	48%	0.479	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	144.7	160.4	-76.8	-164.5	149.1	-138.5	-5.3	110.5	D729 V730 Y731	D729-R753 WeakPolarHBondContact OD1-CB 3.25Å; D729-R753 WeakPolarHBondContact OD2-CD 3.03Å; D729-R753 IonicContact OD2-CZ 3.47Å; D729-R753 IonicContact OD2-NE 3.34Å; D729-R753 IonicContact OD2-NH1 3.86Å; D729-R753 PolarHBondContact OD2-NH1 3.28Å; V730-R753 CarbonylContact O-C 3.51Å; V730-R753 VanDerWaalsContact O-CA 3.31Å; V730-R753 WeakPolarHBondContact O-CA 3.18Å; Y731-R753 HydrophobicContact CD2-CG 3.68Å; Y731-R753 HydrophobicContact CG-CG 4.37Å
754	S	96.1	Very high	94.6	Very high	32 Å²	32	64.4 Å²	64.4	22%	0.224	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	136.3	179	-163.9	0	0	0	0	111.1	D729 V730 L749 V756	D729-S754 PolarHBondContact OD1-N 2.9Å; V730-S754 PolarHBondContact N-O 3.33Å; V730-S754 PolarHBondContact O-N 2.8Å; L749-S754 WeakPolarHBondContact CD2-OG 3.49Å; S754-V756 PolarHBondContact O-N 3.01Å
755	L	96.4	Very high	94.7	Very high	117 Å²	117	62.1 Å²	62.1	61%	0.613	33%	0.328	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.4	104.9	173.7	-168.5	68.1	0	0	0	109.5	S727 D729	S727-L755 WeakPolarHBondContact OG-CD1 3.4Å; D729-L755 HydrophobicContact CB-CD1 4.44Å
756	V	95.6	Very high	94.8	Very high	25 Å²	25	59.9 Å²	59.9	15%	0.152	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	122.8	-179.2	-174.8	0	0	0	0	109.1	S727 R728 V730 Y732 S754 L764	S727-V756 CarbonylContact C-O 3.56Å; S727-V756 WeakPolarHBondContact CA-O 3.25Å; S727-V756 WeakPolarHBondContact CB-O 3.48Å; R728-V756 PolarHBondContact N-O 2.86Å; R728-V756 PolarHBondContact O-N 3.2Å; V730-V756 HydrophobicContact CB-CG2 4.2Å; V730-V756 HydrophobicContact CG2-CB 4.42Å; V730-V756 HydrophobicContact CG2-CG2 4.04Å; Y732-V756 HydrophobicContact CE2-CG2 4.13Å; S754-V756 PolarHBondContact O-N 3.01Å; V756-L764 HydrophobicContact CB-CD1 3.76Å; V756-L764 HydrophobicContact CG1-CD1 3.78Å; V756-L764 HydrophobicContact CG1-CD2 3.68Å; V756-L764 HydrophobicContact CG1-CG 4.4Å; V756-L764 HydrophobicContact CG2-CD1 4.43Å
757	T	95.3	Very high	95	Very high	121 Å²	121	57.9 Å²	57.9	74%	0.742	31%	0.308	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.8	139.3	175.8	-54.6	0	0	0	0	110.8
758	C	94.6	Very high	95.3	Very high	7 Å²	7	55.2 Å²	55.2	5%	0.047	29%	0.291	C	S	.	.			trans	-142.7	144.9	178.3	58.3	0	0	0	0	110.2	V720 I726 S727 T762	V720-C758 HydrophobicContact CG2-CB 4.04Å; V720-C758 VanDerWaalsContact CG2-SG 3.53Å; I726-C758 CarbonylContact C-O 3.46Å; I726-C758 VanDerWaalsContact C-O 3.23Å; I726-C758 VanDerWaalsContact CA-O 3.25Å; I726-C758 WeakPolarHBondContact CA-O 3.45Å; I726-C758 PolarHBondContact O-N 3.41Å; S727-C758 VanDerWaalsContact CA-SG 3.53Å; S727-C758 PolarHBondContact N-SG 3.47Å; S727-C758 VanDerWaalsContact N-SG 3.39Å; C758-T762 HydrophobicContact CB-CG2 3.69Å
759	D	94.8	Very high	95.8	Very high	92 Å²	92	49.4 Å²	49.4	49%	0.492	26%	0.262	S	S	.	.			trans	-95.9	-176.8	167.3	67.4	23.9	0	0	0	111	R625 N761 T762	R625-D759 VanDerWaalsContact CZ-O 3.29Å; R625-D759 PolarHBondContact NH1-O 3.05Å; R625-D759 PolarHBondContact NH2-O 3.4Å; D759-N761 PolarHBondContact O-N 3.07Å; D759-N761 WeakPolarHBondContact OD1-CA 3.42Å; D759-N761 PolarHBondContact OD1-N 3.32Å; D759-T762 VanDerWaalsContact CG-OG1 3.23Å; D759-T762 PolarHBondContact N-OG1 3.03Å; D759-T762 VanDerWaalsContact N-OG1 3.12Å; D759-T762 PolarHBondContact O-N 3.28Å; D759-T762 WeakPolarHBondContact OD1-CB 3.27Å; D759-T762 PolarHBondContact OD1-N 3Å; D759-T762 PolarHBondContact OD1-OG1 2.79Å
760	Q	94.6	Very high	96.1	Very high	111 Å²	111	49.2 Å²	49.2	52%	0.519	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62	-21.9	179.1	64.8	179.3	-6.7	0	0	114.5	R624 R625 Q628	R624-Q760 VanDerWaalsContact CD-O 3.26Å; R624-Q760 WeakPolarHBondContact CD-O 3.42Å; R625-Q760 PolarHBondContact NH1-O 3.14Å; Q628-Q760 PolarHBondContact NE2-O 3.07Å
761	N	93.7	Very high	96.4	Very high	54 Å²	54	47.1 Å²	47.1	29%	0.289	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.8	-3.7	-177.5	-68.5	-21.6	0	0	0	112.9	R624 Q628 M659 D759	R624-N761 PolarHBondContact NH1-OD1 2.8Å; Q628-N761 VanDerWaalsContact NE2-C 3.33Å; Q628-N761 VanDerWaalsContact NE2-CA 3.3Å; Q628-N761 PolarHBondContact NE2-O 3.47Å; M659-N761 HydrophobicContact CG-CB 4.28Å; M659-N761 WeakPolarHBondContact CG-OD1 3.13Å; D759-N761 PolarHBondContact O-N 3.07Å; D759-N761 WeakPolarHBondContact OD1-CA 3.42Å; D759-N761 PolarHBondContact OD1-N 3.32Å
762	T	92.1	Very high	96.5	Very high	38 Å²	38	46.1 Å²	46.1	23%	0.233	24%	0.241	C	C	.	.			trans	-82.6	127.1	-177.7	-60.3	0	0	0	0	111.4	R625 Q628 C758 D759 L764	R625-T762 PolarHBondContact NH1-O 2.98Å; Q628-T762 PolarHBondContact OE1-O 2.94Å; C758-T762 HydrophobicContact CB-CG2 3.69Å; D759-T762 VanDerWaalsContact CG-OG1 3.23Å; D759-T762 PolarHBondContact N-OG1 3.03Å; D759-T762 VanDerWaalsContact N-OG1 3.12Å; D759-T762 PolarHBondContact O-N 3.28Å; D759-T762 WeakPolarHBondContact OD1-CB 3.27Å; D759-T762 PolarHBondContact OD1-N 3Å; D759-T762 PolarHBondContact OD1-OG1 2.79Å; T762-L764 HydrophobicContact CG2-CD2 3.61Å; T762-L764 HydrophobicContact CG2-CG 4.41Å
763	I	96.6	Very high	96.7	Very high	5 Å²	5	40.7 Å²	40.7	3%	0.026	22%	0.217	C	C	.	.			trans	-112.4	133.6	153.7	-178.4	161.1	0	0	0	109	Q628 F632 I663 V717 F741 L765	Q628-I763 HydrophobicContact CB-CB 4.12Å; Q628-I763 HydrophobicContact CB-CD1 4.17Å; Q628-I763 WeakPolarHBondContact O-CD1 3.49Å; F632-I763 HydrophobicContact CD2-CD1 3.7Å; F632-I763 HydrophobicContact CE2-CD1 3.75Å; F632-I763 HydrophobicContact CE2-CG2 4.28Å; I663-I763 HydrophobicContact CD1-CG2 3.47Å; I663-I763 VanDerWaalsContact CD1-CG2 3.47Å; I663-I763 HydrophobicContact CG1-CG2 4.19Å; V717-I763 HydrophobicContact CG1-CD1 3.95Å; F741-I763 HydrophobicContact CE2-CG2 4.09Å; F741-I763 WeakPolarHBondContact CE2-O 3.3Å; F741-I763 HydrophobicContact CZ-CG2 4.32Å; I763-L765 HydrophobicContact CG1-CD2 4.45Å; I763-L765 HydrophobicContact CG1-CG 4.46Å; I763-L765 HydrophobicContact CG2-CD1 4.34Å; I763-L765 HydrophobicContact CG2-CG 4.31Å; I763-L765 PolarHBondContact O-N 2.73Å
764	L	97.7	Very high	96.7	Very high	18 Å²	18	34.7 Å²	34.7	9%	0.094	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	110.2	-179.7	-54.2	178.3	0	0	0	108.8	S718 R728 V730 V756 T762	S718-L764 PolarHBondContact N-O 2.83Å; S718-L764 WeakPolarHBondContact O-CB 3.23Å; R728-L764 HydrophobicContact CB-CD1 4Å; R728-L764 HydrophobicContact CG-CD1 4.39Å; V730-L764 HydrophobicContact CG2-CD1 3.59Å; V756-L764 HydrophobicContact CB-CD1 3.76Å; V756-L764 HydrophobicContact CG1-CD1 3.78Å; V756-L764 HydrophobicContact CG1-CD2 3.68Å; V756-L764 HydrophobicContact CG1-CG 4.4Å; V756-L764 HydrophobicContact CG2-CD1 4.43Å; T762-L764 HydrophobicContact CG2-CD2 3.61Å; T762-L764 HydrophobicContact CG2-CG 4.41Å
765	L	98.2	Very high	96.8	Very high	2 Å²	2	33.3 Å²	33.3	1%	0.01	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	124	174.8	-64.9	175.1	0	0	0	108.5	F632 I715 M716 V717 Y740 F741 I763	F632-L765 HydrophobicContact CD1-CD2 4.11Å; F632-L765 HydrophobicContact CD2-CD2 4.33Å; F632-L765 HydrophobicContact CE1-CD1 3.65Å; F632-L765 HydrophobicContact CE1-CD2 3.75Å; F632-L765 HydrophobicContact CE1-CG 4.36Å; F632-L765 HydrophobicContact CE2-CD1 3.96Å; F632-L765 HydrophobicContact CE2-CD2 4.03Å; F632-L765 HydrophobicContact CE2-CG 4.45Å; F632-L765 HydrophobicContact CG-CD2 4.41Å; F632-L765 HydrophobicContact CZ-CD1 3.2Å; F632-L765 HydrophobicContact CZ-CD2 3.76Å; F632-L765 HydrophobicContact CZ-CG 4.04Å; I715-L765 HydrophobicContact CG2-CD2 4.48Å; M716-L765 WeakPolarHBondContact O-CA 3.43Å; V717-L765 HydrophobicContact CB-CD2 4.13Å; V717-L765 HydrophobicContact CG1-CD2 3.89Å; V717-L765 HydrophobicContact CG2-CD2 3.76Å; Y740-L765 VanDerWaalsContact CB-O 3.24Å; Y740-L765 WeakPolarHBondContact CB-O 3.35Å; Y740-L765 HydrophobicContact CD1-CB 4.23Å; Y740-L765 HydrophobicContact CD1-CD1 3.92Å; Y740-L765 HydrophobicContact CE1-CD1 4.36Å; Y740-L765 HydrophobicContact CG-CB 4.2Å; Y740-L765 PolarHBondContact N-O 3.42Å; F741-L765 HydrophobicContact CD2-CB 4.46Å; F741-L765 HydrophobicContact CE2-CB 4.08Å; F741-L765 HydrophobicContact CE2-CD1 3.48Å; F741-L765 VanDerWaalsContact CE2-CD1 3.48Å; F741-L765 HydrophobicContact CE2-CG 3.92Å; F741-L765 HydrophobicContact CZ-CD1 3.59Å; F741-L765 HydrophobicContact CZ-CG 4.49Å; I763-L765 HydrophobicContact CG1-CD2 4.45Å; I763-L765 HydrophobicContact CG1-CG 4.46Å; I763-L765 HydrophobicContact CG2-CD1 4.34Å; I763-L765 HydrophobicContact CG2-CG 4.31Å; I763-L765 PolarHBondContact O-N 2.73Å
766	D	98.4	Very high	96.8	Very high	4 Å²	4	28.1 Å²	28.1	2%	0.021	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	138.3	-177.6	-64.4	-55.9	0	0	0	110.6	I715 M716 Y732 W737 F738 S739 H746	I715-D766 CarbonylContact C-O 3.59Å; I715-D766 WeakPolarHBondContact CA-O 3.47Å; M716-D766 HydrophobicContact CB-CB 4.42Å; M716-D766 HydrophobicContact CE-CB 4.06Å; M716-D766 PolarHBondContact N-O 2.81Å; M716-D766 PolarHBondContact O-N 2.7Å; Y732-D766 HydrophobicContact CE1-CB 4.26Å; Y732-D766 WeakPolarHBondContact CE1-OD2 3.37Å; Y732-D766 PolarHBondContact OH-OD2 3.37Å; W737-D766 HydrophobicContact CE3-CB 4.1Å; F738-D766 CarbonylContact O-C 3.23Å; F738-D766 VanDerWaalsContact O-CA 3.25Å; F738-D766 WeakPolarHBondContact O-CA 3.35Å; S739-D766 WeakPolarHBondContact CA-OD1 3.29Å; H746-D766 IonicContact CD2-OD1 2.69Å; H746-D766 PolarHBondContact CD2-OD1 2.87Å; H746-D766 IonicContact CE1-OD1 3.42Å; H746-D766 IonicContact NE2-OD1 3.49Å; H746-D766 PolarHBondContact NE2-OD1 3.4Å; H746-D766 IonicContact NE2-OD2 3.75Å
767	I	98.4	Very high	96.9	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	130.9	176.4	-61.3	168.4	0	0	0	109.3	C714 W737 F738 Y740 C771 L793 A795 M862	C714-I767 CarbonylContact O-C 3.47Å; C714-I767 WeakPolarHBondContact O-CA 3.48Å; W737-I767 WeakPolarHBondContact CA-O 3.4Å; F738-I767 PolarHBondContact N-O 3.42Å; F738-I767 PolarHBondContact O-N 3.26Å; Y740-I767 HydrophobicContact CD2-CD1 3.71Å; Y740-I767 HydrophobicContact CD2-CG1 4.24Å; I767-C771 HydrophobicContact CG2-CB 4.32Å; I767-L793 HydrophobicContact CD1-CD2 3.19Å; I767-L793 HydrophobicContact CD1-CG 3.8Å; I767-A795 HydrophobicContact CB-CB 4.48Å; I767-A795 HydrophobicContact CG2-CB 3.6Å; I767-M862 HydrophobicContact CB-CE 4.33Å; I767-M862 HydrophobicContact CD1-CE 3.78Å; I767-M862 HydrophobicContact CG2-CE 4.5Å
768	R	98.2	Very high	97	Very high	59 Å²	59	23.6 Å²	23.6	22%	0.223	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	132.9	171.7	-167	-175.9	175.3	174.8	0.7	110.7	E695 F696 S713 C714 A735 W737 C771	E695-R768 IonicContact OE2-NH1 2.97Å; F696-R768 VanDerWaalsContact CE1-CZ 3.43Å; F696-R768 VanDerWaalsContact CE1-NH2 3.34Å; S713-R768 WeakPolarHBondContact O-CD 3.47Å; C714-R768 PolarHBondContact O-N 3.19Å; A735-R768 HydrophobicContact CB-CG 3.88Å; W737-R768 HydrophobicContact CE3-CB 4.07Å; W737-R768 HydrophobicContact CH2-CB 3.86Å; W737-R768 HydrophobicContact CH2-CG 4.03Å; W737-R768 HydrophobicContact CZ2-CG 4.27Å; W737-R768 HydrophobicContact CZ3-CB 3.6Å; W737-R768 HydrophobicContact CZ3-CG 4.21Å; R768-C771 WeakPolarHBondContact O-CB 3.38Å; R768-C771 PolarHBondContact O-N 3.04Å
769	G	98.1	Very high	97.2	Very high	10 Å²	10	24.2 Å²	24.2	10%	0.103	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	140.1	169.3	0	0	0	0	0	111.3	R736 L796	R736-G769 PolarHBondContact O-N 3.16Å; G769-L796 WeakPolarHBondContact CA-O 3.27Å
770	G	98.2	Very high	97.3	Very high	22 Å²	22	21.6 Å²	21.6	23%	0.227	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	100	0.3	-171.4	0	0	0	0	0	113.8	A795 A802 A803	G770-A795 PolarHBondContact N-O 2.8Å; G770-A802 CarbonylContact O-C 3.47Å; G770-A802 VanDerWaalsContact O-CA 3.31Å; G770-A802 WeakPolarHBondContact O-CA 3.33Å; G770-A803 PolarHBondContact O-N 3.03Å
771	C	98.6	Very high	97.4	Very high	7 Å²	7	16.5 Å²	16.5	5%	0.047	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	143.1	-175.9	-79.1	0	0	0	0	114.1	C714 I767 R768 A795 A803	C714-C771 WeakPolarHBondContact CA-SG 3.27Å; C714-C771 HydrophobicContact CB-CB 3.54Å; C714-C771 WeakPolarHBondContact CB-SG 3.17Å; C714-C771 WeakPolarHBondContact SG-CB 3.43Å; C714-C771 CovalentContact SG-SG 2.04Å; C714-C771 PolarHBondContact SG-SG 3.03Å; I767-C771 HydrophobicContact CG2-CB 4.32Å; R768-C771 WeakPolarHBondContact O-CB 3.38Å; R768-C771 PolarHBondContact O-N 3.04Å; C771-A795 PolarHBondContact N-O 3.35Å; C771-A795 PolarHBondContact O-N 2.91Å; C771-A803 CarbonylContact C-O 3.53Å; C771-A803 WeakPolarHBondContact CA-O 3.22Å
772	I	98.7	Very high	97.5	Very high	3 Å²	3	14.1 Å²	14.1	2%	0.015	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	114.3	165.3	-58.3	178.2	0	0	0	107.8	L792 L793 V794 A802 A803 V826 L828 L841	I772-L792 HydrophobicContact CG2-CB 4.29Å; I772-L792 HydrophobicContact CG2-CD2 4.29Å; I772-L793 CarbonylContact C-O 3.51Å; I772-L793 WeakPolarHBondContact CA-O 3.02Å; I772-V794 HydrophobicContact CG1-CG1 4.06Å; I772-V794 HydrophobicContact CG1-CG2 4.15Å; I772-V794 HydrophobicContact CG2-CG2 4.21Å; I772-A802 HydrophobicContact CD1-CB 4.13Å; I772-A802 HydrophobicContact CG1-CB 3.64Å; I772-A803 PolarHBondContact N-O 3.17Å; I772-V826 HydrophobicContact CD1-CB 4.22Å; I772-V826 HydrophobicContact CD1-CG1 3.87Å; I772-V826 HydrophobicContact CG2-CB 4.36Å; I772-V826 HydrophobicContact CG2-CG1 4.3Å; I772-L828 HydrophobicContact CD1-CB 4.27Å; I772-L841 HydrophobicContact CD1-CD1 3.66Å
773	V	98.7	Very high	97.7	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	115.7	-177.4	178.1	0	0	0	0	109	L670 Y673 C714 I715 M775 L793	L670-V773 HydrophobicContact CD2-CG1 3.98Å; Y673-V773 HydrophobicContact CD1-CG1 4.25Å; Y673-V773 HydrophobicContact CD2-CG1 4.29Å; Y673-V773 HydrophobicContact CG-CG1 3.88Å; C714-V773 HydrophobicContact CB-CG2 4.05Å; I715-V773 HydrophobicContact CD1-CG1 4.08Å; I715-V773 HydrophobicContact CG1-CG2 4.37Å; V773-M775 HydrophobicContact CG1-CG 4.19Å; V773-L793 HydrophobicContact CB-CB 4.39Å; V773-L793 PolarHBondContact N-O 3.08Å; V773-L793 PolarHBondContact O-N 2.98Å
774	P	98.2	Very high	97.6	Very high	2 Å²	2	18.7 Å²	18.7	1%	0.013	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	136.6	170.7	30.2	-33.3	0	0	0	110.9	P672 Y673 M790 L792 L806	P672-P774 HydrophobicContact CB-CB 4.15Å; P672-P774 HydrophobicContact CB-CG 4.42Å; Y673-P774 WeakPolarHBondContact CB-O 3.44Å; Y673-P774 PolarHBondContact N-O 2.84Å; P774-M790 HydrophobicContact CB-CE 4.28Å; P774-L792 HydrophobicContact CB-CD2 4.14Å; P774-L806 HydrophobicContact CB-CD1 3.85Å; P774-L806 HydrophobicContact CG-CD1 4.02Å
775	M	98.3	Very high	97.5	Very high	2 Å²	2	17.9 Å²	17.9	1%	0.01	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	170.9	-178.9	-55.6	-172.8	-54.5	0	0	110.8	R669 L670 Y740 V773 M790 Q791 L793 I860	R669-M775 HydrophobicContact CG-CB 3.91Å; R669-M775 HydrophobicContact CG-CG 4.38Å; R669-M775 HydrophobicContact CG-SD 4.17Å; R669-M775 CarbonylContact O-C 3.45Å; R669-M775 WeakPolarHBondContact O-CA 3.28Å; R669-M775 WeakPolarHBondContact O-CB 3.2Å; L670-M775 HydrophobicContact CD2-CG 4.12Å; L670-M775 HydrophobicContact CD2-SD 4.24Å; Y740-M775 HydrophobicContact CE2-SD 4.22Å; V773-M775 HydrophobicContact CG1-CG 4.19Å; M775-M790 CarbonylContact O-C 3.59Å; M775-M790 VanDerWaalsContact O-CA 3.27Å; M775-M790 WeakPolarHBondContact O-CA 3.32Å; M775-M790 WeakPolarHBondContact O-CB 3.28Å; M775-Q791 HydrophobicContact CB-CB 4.23Å; M775-Q791 HydrophobicContact CE-CB 3.89Å; M775-Q791 PolarHBondContact N-O 3.16Å; M775-Q791 PolarHBondContact O-N 2.84Å; M775-L793 HydrophobicContact CE-CB 3.69Å; M775-L793 HydrophobicContact CE-CD2 4.22Å; M775-L793 HydrophobicContact SD-CB 3.89Å; M775-L793 HydrophobicContact SD-CD2 3.84Å; M775-I860 HydrophobicContact CE-CD1 3.83Å
776	Q	96.7	Very high	97.3	Very high	8 Å²	8	20.1 Å²	20.1	4%	0.037	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	147.1	175.6	-179	158.9	56.3	0	0	111.1	R669 P672 P778 S785 N788	R669-Q776 WeakPolarHBondContact CA-O 3Å; R669-Q776 WeakPolarHBondContact CB-O 3.11Å; R669-Q776 WeakPolarHBondContact CG-O 3.48Å; R669-Q776 PolarHBondContact O-N 2.9Å; P672-Q776 HydrophobicContact CG-CB 3.72Å; Q776-P778 WeakPolarHBondContact O-CD 3.46Å; Q776-S785 VanDerWaalsContact CG-O 3.29Å; Q776-S785 WeakPolarHBondContact CG-O 3.49Å; Q776-S785 PolarHBondContact NE2-O 2.95Å; Q776-S785 PolarHBondContact OE1-O 3.35Å; Q776-N788 HydrophobicContact CG-CB 4.48Å; Q776-N788 PolarHBondContact NE2-O 3.19Å
777	T	97.2	Very high	97.1	Very high	46 Å²	46	26.7 Å²	26.7	28%	0.282	14%	0.143	S	C	.	.			trans	-63.8	120.3	172.3	-70	0	0	0	0	109.8	N788 P789 Q791	T777-N788 HydrophobicContact CG2-CB 4.26Å; T777-N788 VanDerWaalsContact O-CB 3.24Å; T777-N788 WeakPolarHBondContact O-CB 3.4Å; T777-N788 PolarHBondContact O-ND2 2.95Å; T777-P789 PolarHBondContact N-O 3.38Å; T777-Q791 PolarHBondContact OG1-NE2 3.22Å
778	P	97.8	Very high	97	Very high	6 Å²	6	29 Å²	29	4%	0.039	16%	0.155	C	C	.	.			trans	-77.8	147.4	-172.2	31	-35.6	0	0	0	112.4	R665 R669 Q776	R665-P778 HydrophobicContact CB-CB 4.18Å; R665-P778 HydrophobicContact CB-CG 4.07Å; R665-P778 WeakPolarHBondContact O-CB 3.05Å; R665-P778 WeakPolarHBondContact O-CG 3.3Å; R669-P778 HydrophobicContact CB-CG 4.27Å; Q776-P778 WeakPolarHBondContact O-CD 3.46Å
779	A	97.1	Very high	96.9	Very high	20 Å²	20	27.4 Å²	27.4	17%	0.165	15%	0.152	C	C	.	.			trans	-123.2	-166.5	169	0	0	0	0	0	110.7	P336 S781 R784 S785	P336-A779 WeakPolarHBondContact CG-O 3.48Å; A779-S781 VanDerWaalsContact C-N 3.33Å; A779-S781 PolarHBondContact O-N 3.49Å; A779-R784 HydrophobicContact CB-CB 3.56Å; A779-S785 PolarHBondContact N-OG 2.93Å
780	L	96.9	Very high	96.8	Very high	37 Å²	37	27 Å²	27	19%	0.194	15%	0.148	C	C	.	.	S	Bend	trans	-85.5	1.1	-175.1	-57.4	-175	0	0	0	114.9	E331 R334 P336 L337	E331-L780 HydrophobicContact CG-CD1 4.03Å; R334-L780 VanDerWaalsContact C-CD2 3.45Å; R334-L780 HydrophobicContact CB-CD2 3.95Å; R334-L780 VanDerWaalsContact O-CD2 3.24Å; R334-L780 WeakPolarHBondContact O-CD2 2.92Å; P336-L780 VanDerWaalsContact CA-O 3.27Å; P336-L780 WeakPolarHBondContact CA-O 3.45Å; P336-L780 HydrophobicContact CG-CD2 4.45Å; L337-L780 PolarHBondContact N-O 3.05Å; L337-L780 VanDerWaalsContact N-O 3.07Å
781	S	97.2	Very high	96.8	Very high	3 Å²	3	26.4 Å²	26.4	2%	0.021	14%	0.139	C	C	.	.	S	Bend	trans	-155.2	161.5	171.4	63.2	0	0	0	0	109.1	A779 A783 R784 S785	A779-S781 VanDerWaalsContact C-N 3.33Å; A779-S781 PolarHBondContact O-N 3.49Å; S781-A783 VanDerWaalsContact C-N 3.26Å; S781-A783 PolarHBondContact O-N 3.49Å; S781-R784 PolarHBondContact O-N 3.5Å; S781-R784 WeakPolarHBondContact OG-CG 3.38Å; S781-R784 PolarHBondContact OG-N 2.9Å; S781-S785 WeakPolarHBondContact O-CB 3.44Å; S781-S785 PolarHBondContact O-N 2.83Å; S781-S785 PolarHBondContact O-OG 3.17Å
782	T	97.3	Very high	96.8	Very high	5 Å²	5	26.3 Å²	26.3	3%	0.031	14%	0.138	C	C	.	.	H	α-helix	trans	-59	-39.5	172.9	60.9	0	0	0	0	111.6	Y305 W306 D338 Y668 L671 R784 S785 R786	Y305-T782 HydrophobicContact CD1-CG2 4.05Å; Y305-T782 HydrophobicContact CE1-CG2 4.1Å; W306-T782 WeakPolarHBondContact CA-OG1 3.49Å; D338-T782 VanDerWaalsContact CG-CG2 3.5Å; D338-T782 VanDerWaalsContact CG-N 3.34Å; D338-T782 VanDerWaalsContact OD1-CB 3.25Å; D338-T782 WeakPolarHBondContact OD1-CB 3.5Å; D338-T782 WeakPolarHBondContact OD1-CG2 3.47Å; D338-T782 PolarHBondContact OD1-N 2.64Å; D338-T782 PolarHBondContact OD1-OG1 2.86Å; D338-T782 VanDerWaalsContact OD2-CG2 3.25Å; D338-T782 WeakPolarHBondContact OD2-CG2 3.25Å; D338-T782 PolarHBondContact OD2-N 2.86Å; Y668-T782 HydrophobicContact CE1-CG2 4.28Å; L671-T782 HydrophobicContact CD1-CG2 3.63Å; T782-R784 PolarHBondContact O-N 2.68Å; T782-S785 PolarHBondContact O-N 3.45Å; T782-R786 WeakPolarHBondContact O-CB 3.44Å; T782-R786 VanDerWaalsContact O-CG 3.25Å; T782-R786 WeakPolarHBondContact O-CG 3.16Å; T782-R786 PolarHBondContact O-N 3.28Å
783	A	94.4	Very high	96.7	Very high	48 Å²	48	26.2 Å²	26.2	40%	0.397	14%	0.138	S	C	.	.	H	α-helix	trans	-58.3	-49.9	178.7	0	0	0	0	0	112	S781 R786	S781-A783 VanDerWaalsContact C-N 3.26Å; S781-A783 PolarHBondContact O-N 3.49Å; A783-R786 PolarHBondContact O-N 2.93Å
784	R	95.3	Very high	96.7	Very high	91 Å²	91	26.2 Å²	26.2	34%	0.343	14%	0.138	S	C	.	.	H	α-helix	trans	-69.3	-36.7	177	-67.7	175.6	-177.6	174.6	1.9	111.7	E331 A779 S781 T782 R786 E787	E331-R784 IonicContact OE1-CZ 3.88Å; E331-R784 IonicContact OE1-NH1 2.78Å; E331-R784 PolarHBondContact OE1-NH1 3.31Å; E331-R784 IonicContact OE1-NH2 2.63Å; A779-R784 HydrophobicContact CB-CB 3.56Å; S781-R784 PolarHBondContact O-N 3.5Å; S781-R784 WeakPolarHBondContact OG-CG 3.38Å; S781-R784 PolarHBondContact OG-N 2.9Å; T782-R784 PolarHBondContact O-N 2.68Å; R784-R786 VanDerWaalsContact C-N 3.25Å; R784-R786 PolarHBondContact O-N 3.31Å; R784-E787 WeakPolarHBondContact O-CB 3.39Å; R784-E787 PolarHBondContact O-N 3.34Å
785	S	96.2	Very high	96.8	Very high	1 Å²	1	26.1 Å²	26.1	1%	0.007	14%	0.137	C	C	.	.	H	α-helix	trans	-63.8	-36.6	-179.6	-59.1	0	0	0	0	110.9	Q776 A779 S781 T782 E787 N788	Q776-S785 VanDerWaalsContact CG-O 3.29Å; Q776-S785 WeakPolarHBondContact CG-O 3.49Å; Q776-S785 PolarHBondContact NE2-O 2.95Å; Q776-S785 PolarHBondContact OE1-O 3.35Å; A779-S785 PolarHBondContact N-OG 2.93Å; S781-S785 WeakPolarHBondContact O-CB 3.44Å; S781-S785 PolarHBondContact O-N 2.83Å; S781-S785 PolarHBondContact O-OG 3.17Å; T782-S785 PolarHBondContact O-N 3.45Å; S785-E787 PolarHBondContact O-N 3.31Å; S785-N788 VanDerWaalsContact O-CB 3.31Å; S785-N788 WeakPolarHBondContact O-CB 3.42Å; S785-N788 PolarHBondContact O-N 2.92Å
786	R	94	Very high	96.7	Very high	48 Å²	48	26 Å²	26	18%	0.181	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-11.1	178.8	-73.2	-178	66.5	132.5	5.7	114.8	Y305 T782 A783 R784 D809	Y305-R786 HydrophobicContact CD1-CG 4.37Å; Y305-R786 VanDerWaalsContact CD2-NH1 3.31Å; Y305-R786 HydrophobicContact CE1-CG 3.85Å; Y305-R786 VanDerWaalsContact CG-NH1 3.33Å; T782-R786 WeakPolarHBondContact O-CB 3.44Å; T782-R786 VanDerWaalsContact O-CG 3.25Å; T782-R786 WeakPolarHBondContact O-CG 3.16Å; T782-R786 PolarHBondContact O-N 3.28Å; A783-R786 PolarHBondContact O-N 2.93Å; R784-R786 VanDerWaalsContact C-N 3.25Å; R784-R786 PolarHBondContact O-N 3.31Å; R786-D809 PolarHBondContact NH2-O 2.87Å
787	E	93.9	Very high	96.8	Very high	142 Å²	142	26.6 Å²	26.6	66%	0.664	14%	0.142	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.6	-16.2	171.6	-61.3	175	172.1	0	0	112	R784 S785	R784-E787 WeakPolarHBondContact O-CB 3.39Å; R784-E787 PolarHBondContact O-N 3.34Å; S785-E787 PolarHBondContact O-N 3.31Å
788	N	95.9	Very high	96.6	Very high	49 Å²	49	31.4 Å²	31.4	26%	0.262	16%	0.161	S	C	.	.	S	Bend	trans	-86.1	158.7	-178.3	-65.3	-33.2	0	0	0	112.3	Q776 T777 S785	Q776-N788 HydrophobicContact CG-CB 4.48Å; Q776-N788 PolarHBondContact NE2-O 3.19Å; T777-N788 HydrophobicContact CG2-CB 4.26Å; T777-N788 VanDerWaalsContact O-CB 3.24Å; T777-N788 WeakPolarHBondContact O-CB 3.4Å; T777-N788 PolarHBondContact O-ND2 2.95Å; S785-N788 VanDerWaalsContact O-CB 3.31Å; S785-N788 WeakPolarHBondContact O-CB 3.42Å; S785-N788 PolarHBondContact O-N 2.92Å
789	P	96.1	Very high	96.5	Very high	25 Å²	25	35.2 Å²	35.2	16%	0.162	19%	0.188	C	C	.	.	P	Polyproline II helix	trans	-59.2	150.1	176.2	-15.8	22.7	0	0	0	113.9	T777 F855 D857	T777-P789 PolarHBondContact N-O 3.38Å; P789-F855 WeakPolarHBondContact CA-O 3.49Å; P789-F855 HydrophobicContact CB-CD2 4.1Å; P789-F855 HydrophobicContact CB-CE2 3.63Å; P789-F855 HydrophobicContact CB-CZ 3.98Å; P789-F855 HydrophobicContact CG-CD2 4.47Å; P789-F855 HydrophobicContact CG-CE1 4.4Å; P789-F855 HydrophobicContact CG-CE2 3.54Å; P789-F855 HydrophobicContact CG-CZ 3.51Å; P789-D857 HydrophobicContact CB-CB 3.65Å; P789-D857 WeakPolarHBondContact CB-OD1 3.5Å; P789-D857 WeakPolarHBondContact CB-OD2 3.1Å; P789-D857 HydrophobicContact CG-CB 4.24Å
790	M	96.5	Very high	96.4	Very high	3 Å²	3	36.7 Å²	36.7	2%	0.015	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	153.4	172	-66	-168.1	70.2	0	0	112.1	P672 P774 M775 L806 L808 C854 F855 F856 D857	P672-M790 HydrophobicContact CB-CE 3.7Å; P672-M790 HydrophobicContact CG-CE 4Å; P774-M790 HydrophobicContact CB-CE 4.28Å; M775-M790 CarbonylContact O-C 3.59Å; M775-M790 VanDerWaalsContact O-CA 3.27Å; M775-M790 WeakPolarHBondContact O-CA 3.32Å; M775-M790 WeakPolarHBondContact O-CB 3.28Å; M790-L806 HydrophobicContact CE-CD1 3.83Å; M790-L806 HydrophobicContact CE-CD2 3.96Å; M790-L806 HydrophobicContact SD-CD2 4.48Å; M790-L808 HydrophobicContact CE-CD2 4.45Å; M790-L808 HydrophobicContact SD-CD2 4.19Å; M790-C854 PolarHBondContact SD-SG 2.78Å; M790-F855 PolarHBondContact N-O 2.82Å; M790-F856 HydrophobicContact CB-CD1 3.6Å; M790-F856 HydrophobicContact CB-CE1 3.52Å; M790-F856 HydrophobicContact CB-CG 4.15Å; M790-F856 HydrophobicContact CB-CZ 4Å; M790-F856 HydrophobicContact CE-CE1 4.14Å; M790-F856 HydrophobicContact CE-CZ 3.99Å; M790-F856 VanDerWaalsContact O-CA 3.26Å; M790-F856 WeakPolarHBondContact O-CA 3.44Å; M790-F856 HydrophobicContact SD-CE1 4.3Å; M790-F856 HydrophobicContact SD-CE2 4.38Å; M790-F856 HydrophobicContact SD-CZ 3.9Å; M790-D857 PolarHBondContact O-N 3.16Å; M790-D857 VanDerWaalsContact O-N 3.09Å
791	Q	97.5	Very high	96.5	Very high	9 Å²	9	36.3 Å²	36.3	4%	0.042	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	160.9	170.3	-60.4	107.7	28.1	0	0	111.8	M775 T777 Q858	M775-Q791 HydrophobicContact CB-CB 4.23Å; M775-Q791 HydrophobicContact CE-CB 3.89Å; M775-Q791 PolarHBondContact N-O 3.16Å; M775-Q791 PolarHBondContact O-N 2.84Å; T777-Q791 PolarHBondContact OG1-NE2 3.22Å; Q791-Q858 WeakPolarHBondContact CA-O 3.24Å; Q791-Q858 WeakPolarHBondContact CB-O 3.26Å; Q791-Q858 HydrophobicContact CG-CB 3.75Å; Q791-Q858 HydrophobicContact CG-CG 4.28Å
792	L	98.2	Very high	96.5	Very high	4 Å²	4	36.4 Å²	36.4	2%	0.021	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	129.7	161.6	-54.6	172.6	0	0	0	109.9	I772 P774 V794 V826 L841 F856 Q858 I859 I860	I772-L792 HydrophobicContact CG2-CB 4.29Å; I772-L792 HydrophobicContact CG2-CD2 4.29Å; P774-L792 HydrophobicContact CB-CD2 4.14Å; L792-V794 HydrophobicContact CB-CG2 4.46Å; L792-V826 HydrophobicContact CD1-CG1 4.33Å; L792-L841 HydrophobicContact CD1-CD2 4.32Å; L792-F856 HydrophobicContact CD1-CE1 4.5Å; L792-F856 HydrophobicContact CD2-CD1 4.29Å; L792-F856 HydrophobicContact CD2-CE1 3.57Å; L792-F856 HydrophobicContact CD2-CZ 4.27Å; L792-F856 HydrophobicContact CG-CD1 3.99Å; L792-F856 HydrophobicContact CG-CE1 3.78Å; L792-Q858 PolarHBondContact N-O 3.15Å; L792-Q858 VanDerWaalsContact N-O 3.12Å; L792-I859 HydrophobicContact CB-CG1 4.08Å; L792-I859 HydrophobicContact CD1-CD1 4.24Å; L792-I859 HydrophobicContact CD1-CG1 4.27Å; L792-I859 HydrophobicContact CG-CG1 4.38Å; L792-I859 WeakPolarHBondContact O-CA 3.45Å; L792-I860 PolarHBondContact O-N 3.42Å
793	L	98.4	Very high	96.6	Very high	2 Å²	2	38.3 Å²	38.3	1%	0.01	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	120	170.6	-178.7	55.4	0	0	0	109.2	Y740 I767 I772 V773 M775 I860 M862	Y740-L793 HydrophobicContact CD2-CD2 4.02Å; Y740-L793 HydrophobicContact CE2-CD2 3.99Å; I767-L793 HydrophobicContact CD1-CD2 3.19Å; I767-L793 HydrophobicContact CD1-CG 3.8Å; I772-L793 CarbonylContact C-O 3.51Å; I772-L793 WeakPolarHBondContact CA-O 3.02Å; V773-L793 HydrophobicContact CB-CB 4.39Å; V773-L793 PolarHBondContact N-O 3.08Å; V773-L793 PolarHBondContact O-N 2.98Å; M775-L793 HydrophobicContact CE-CB 3.69Å; M775-L793 HydrophobicContact CE-CD2 4.22Å; M775-L793 HydrophobicContact SD-CB 3.89Å; M775-L793 HydrophobicContact SD-CD2 3.84Å; L793-I860 HydrophobicContact CD1-CB 3.71Å; L793-I860 HydrophobicContact CD1-CD1 4.3Å; L793-I860 HydrophobicContact CD1-CG2 3.57Å; L793-M862 HydrophobicContact CD1-CE 3.79Å; L793-M862 HydrophobicContact CD1-CG 4.12Å; L793-M862 HydrophobicContact CD1-SD 3.84Å; L793-M862 HydrophobicContact CG-CE 4.08Å
794	V	98.7	Very high	96.8	Very high	0 Å²	0	37 Å²	37	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	115.4	-170.8	-176.7	0	0	0	0	109	I772 L792 L796 A802 L828 L841 I859 I860 V861 M862	I772-V794 HydrophobicContact CG1-CG1 4.06Å; I772-V794 HydrophobicContact CG1-CG2 4.15Å; I772-V794 HydrophobicContact CG2-CG2 4.21Å; L792-V794 HydrophobicContact CB-CG2 4.46Å; V794-L796 HydrophobicContact CG1-CD2 4.42Å; V794-A802 HydrophobicContact CG1-CB 3.77Å; V794-L828 HydrophobicContact CG1-CD1 3.61Å; V794-L841 HydrophobicContact CG2-CD1 4.4Å; V794-I859 HydrophobicContact CG2-CG2 4.23Å; V794-I860 PolarHBondContact N-O 3.39Å; V794-V861 HydrophobicContact CB-CG1 4.46Å; V794-V861 HydrophobicContact CB-CG2 4.34Å; V794-V861 HydrophobicContact CG1-CG1 4.4Å; V794-V861 WeakPolarHBondContact O-CA 3.49Å; V794-M862 PolarHBondContact O-N 3.34Å
795	A	98.4	Very high	96.9	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	116.7	174.9	0	0	0	0	0	109.2	F738 I767 G770 C771 M862	F738-A795 HydrophobicContact CD2-CB 3.77Å; F738-A795 HydrophobicContact CE2-CB 3.95Å; F738-A795 HydrophobicContact CG-CB 4.46Å; I767-A795 HydrophobicContact CB-CB 4.48Å; I767-A795 HydrophobicContact CG2-CB 3.6Å; G770-A795 PolarHBondContact N-O 2.8Å; C771-A795 PolarHBondContact N-O 3.35Å; C771-A795 PolarHBondContact O-N 2.91Å; A795-M862 HydrophobicContact CB-CE 3.74Å
796	L	98.2	Very high	97	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	20%	0.195	C	C	.	.			trans	-73.2	137	-177.5	-64.7	178.6	0	0	0	112	R736 G769 V794 M800 L828 F839 V861 M862 L864	R736-L796 PolarHBondContact NH1-O 3.09Å; R736-L796 VanDerWaalsContact NH1-O 3.1Å; G769-L796 WeakPolarHBondContact CA-O 3.27Å; V794-L796 HydrophobicContact CG1-CD2 4.42Å; L796-M800 HydrophobicContact CB-SD 4.43Å; L796-M800 HydrophobicContact CD1-SD 4.24Å; L796-L828 HydrophobicContact CD2-CD1 3.67Å; L796-L828 HydrophobicContact CD2-CD2 3.43Å; L796-L828 VanDerWaalsContact CD2-CD2 3.43Å; L796-L828 HydrophobicContact CD2-CG 4.22Å; L796-F839 HydrophobicContact CD1-CE1 3.97Å; L796-V861 HydrophobicContact CD1-CG1 4.28Å; L796-V861 HydrophobicContact CG-CG1 4.27Å; L796-M862 WeakPolarHBondContact CG-O 3.4Å; L796-M862 PolarHBondContact N-O 2.96Å; L796-L864 HydrophobicContact CD1-CD2 4Å; L796-L864 HydrophobicContact CD1-CG 4.46Å
797	S	96.9	Very high	97.2	Very high	20 Å²	20	31.6 Å²	31.6	14%	0.14	19%	0.186	C	C	.	.			trans	-69.9	178.1	170.2	67.7	0	0	0	0	111.8	R736 S799 M800 A801	R736-S797 VanDerWaalsContact CD-C 3.44Å; R736-S797 PolarHBondContact NH1-O 3.43Å; S797-S799 PolarHBondContact O-N 3.34Å; S797-S799 PolarHBondContact OG-N 3.35Å; S797-S799 PolarHBondContact OG-OG 3.03Å; S797-M800 PolarHBondContact O-N 2.9Å; S797-M800 PolarHBondContact OG-N 3.37Å; S797-A801 WeakPolarHBondContact CB-O 3.35Å; S797-A801 PolarHBondContact N-O 3.03Å; S797-A801 PolarHBondContact OG-N 2.8Å; S797-A801 PolarHBondContact OG-O 3.23Å; S797-A801 VanDerWaalsContact OG-O 3.08Å
798	E	93.8	Very high	97.3	Very high	146 Å²	146	25.7 Å²	25.7	68%	0.682	16%	0.159	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-35.2	169.3	-63.9	-179.3	177.4	0	0	112	R736 M800	R736-E798 HydrophobicContact CG-CG 3.77Å; E798-M800 PolarHBondContact O-N 3.43Å
799	S	95.1	Very high	97.3	Very high	87 Å²	87	23.5 Å²	23.5	61%	0.608	15%	0.147	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.1	11.4	173.9	58.1	0	0	0	0	114	S797 A801 S830	S797-S799 PolarHBondContact O-N 3.34Å; S797-S799 PolarHBondContact OG-N 3.35Å; S797-S799 PolarHBondContact OG-OG 3.03Å; S799-A801 PolarHBondContact O-N 3.38Å; S799-S830 PolarHBondContact O-OG 3.18Å
800	M	96.1	Very high	97.2	Very high	50 Å²	50	24.7 Å²	24.7	25%	0.246	15%	0.152	C	C	.	.	S	Bend	trans	56.5	36.5	178.8	-58.1	-63	170.9	0	0	113	L796 S797 E798 L828 S830 F839	L796-M800 HydrophobicContact CB-SD 4.43Å; L796-M800 HydrophobicContact CD1-SD 4.24Å; S797-M800 PolarHBondContact O-N 2.9Å; S797-M800 PolarHBondContact OG-N 3.37Å; E798-M800 PolarHBondContact O-N 3.43Å; M800-L828 WeakPolarHBondContact O-CD2 3.35Å; M800-S830 WeakPolarHBondContact O-CB 3.03Å; M800-S830 PolarHBondContact O-OG 3.47Å; M800-F839 HydrophobicContact CB-CE1 3.96Å; M800-F839 HydrophobicContact CB-CZ 4.33Å
801	A	97.9	Very high	97.1	Very high	29 Å²	29	24.6 Å²	24.6	24%	0.24	15%	0.152	C	C	.	.			trans	-122.4	162.4	177.8	0	0	0	0	0	110.5	S797 S799 L828	S797-A801 WeakPolarHBondContact CB-O 3.35Å; S797-A801 PolarHBondContact N-O 3.03Å; S797-A801 PolarHBondContact OG-N 2.8Å; S797-A801 PolarHBondContact OG-O 3.23Å; S797-A801 VanDerWaalsContact OG-O 3.08Å; S799-A801 PolarHBondContact O-N 3.38Å; A801-L828 VanDerWaalsContact CA-O 3.31Å; A801-L828 WeakPolarHBondContact CA-O 3.44Å; A801-L828 WeakPolarHBondContact CB-O 3.18Å
802	A	98.6	Very high	97	Very high	5 Å²	5	27.9 Å²	27.9	4%	0.041	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.8	150.4	169.9	0	0	0	0	0	110.8	G770 I772 V794 L828	G770-A802 CarbonylContact O-C 3.47Å; G770-A802 VanDerWaalsContact O-CA 3.31Å; G770-A802 WeakPolarHBondContact O-CA 3.33Å; I772-A802 HydrophobicContact CD1-CB 4.13Å; I772-A802 HydrophobicContact CG1-CB 3.64Å; V794-A802 HydrophobicContact CG1-CB 3.77Å; A802-L828 HydrophobicContact CB-CB 4.25Å; A802-L828 PolarHBondContact N-O 2.85Å; A802-L828 PolarHBondContact O-N 2.99Å
803	A	98.5	Very high	96.7	Very high	46 Å²	46	29.7 Å²	29.7	38%	0.38	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	153	177.4	0	0	0	0	0	111	G770 C771 I772 V826 N827	G770-A803 PolarHBondContact O-N 3.03Å; C771-A803 CarbonylContact C-O 3.53Å; C771-A803 WeakPolarHBondContact CA-O 3.22Å; I772-A803 PolarHBondContact N-O 3.17Å; A803-V826 CarbonylContact C-O 3.47Å; A803-V826 WeakPolarHBondContact CA-O 3.14Å; A803-N827 WeakPolarHBondContact CB-OD1 3.46Å
804	G	98.3	Very high	96.3	Very high	19 Å²	19	30.6 Å²	30.6	20%	0.196	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.2	178.8	174.4	0	0	0	0	0	111	V826	G804-V826 PolarHBondContact N-O 3.19Å; G804-V826 PolarHBondContact O-N 3.45Å
805	S	98.2	Very high	95.8	Very high	27 Å²	27	32.1 Å²	32.1	19%	0.189	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	160.8	175.2	56.3	0	0	0	0	110.2	T676 W680 F824	T676-S805 WeakPolarHBondContact CG2-OG 3.46Å; W680-S805 PolarHBondContact NE1-OG 3.01Å; S805-F824 CarbonylContact C-O 3.57Å; S805-F824 WeakPolarHBondContact CA-O 3.42Å; S805-F824 WeakPolarHBondContact CB-O 3.29Å
806	L	98	Very high	94.9	Very high	1 Å²	1	36.2 Å²	36.2	1%	0.005	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	123.1	175.4	172.4	62.8	0	0	0	109.5	P672 P774 M790 L808 L823 F824 F856 L901	P672-L806 HydrophobicContact CB-CD1 4.39Å; P774-L806 HydrophobicContact CB-CD1 3.85Å; P774-L806 HydrophobicContact CG-CD1 4.02Å; M790-L806 HydrophobicContact CE-CD1 3.83Å; M790-L806 HydrophobicContact CE-CD2 3.96Å; M790-L806 HydrophobicContact SD-CD2 4.48Å; L806-L808 HydrophobicContact CD1-CD2 3.92Å; L806-L808 HydrophobicContact CD1-CG 4.1Å; L806-L808 HydrophobicContact CD2-CD1 3.97Å; L806-L808 HydrophobicContact CD2-CD2 4.46Å; L806-L808 HydrophobicContact CD2-CG 4.13Å; L806-L808 HydrophobicContact CG-CD1 4.31Å; L806-L808 HydrophobicContact CG-CD2 4.29Å; L806-L808 HydrophobicContact CG-CG 3.93Å; L806-L823 WeakPolarHBondContact O-CA 3.4Å; L806-F824 PolarHBondContact N-O 3.31Å; L806-F824 PolarHBondContact O-N 3.06Å; L806-F856 HydrophobicContact CD2-CE2 4.26Å; L806-F856 HydrophobicContact CD2-CZ 3.56Å; L806-L901 HydrophobicContact CD2-CD2 4.36Å
807	F	97.3	Very high	93.7	Very high	0 Å²	0	42 Å²	42	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	132.6	170.4	175.1	-105.5	0	0	0	110.5	L302 Y675 T676 Y679 D809 L815 Y821 L823	L302-F807 HydrophobicContact CD2-CE1 4.28Å; L302-F807 HydrophobicContact CD2-CZ 4.45Å; Y675-F807 AromaticContact CD1-CD1 3.81Å; Y675-F807 HydrophobicContact CD1-CD1 3.81Å; Y675-F807 HydrophobicContact CD1-CE1 4.28Å; Y675-F807 AromaticContact CE1-CD1 3.45Å; Y675-F807 HydrophobicContact CE1-CD1 3.45Å; Y675-F807 VanDerWaalsContact CE1-CD1 3.45Å; Y675-F807 AromaticContact CE1-CE1 3.47Å; Y675-F807 HydrophobicContact CE1-CE1 3.47Å; Y675-F807 VanDerWaalsContact CE1-CE1 3.47Å; Y675-F807 AromaticContact CZ-CE1 3.72Å; T676-F807 HydrophobicContact CG2-CB 4.2Å; T676-F807 PolarHBondContact OG1-N 3.09Å; Y679-F807 HydrophobicContact CD1-CB 4.26Å; Y679-F807 HydrophobicContact CD1-CD2 4.27Å; Y679-F807 HydrophobicContact CD1-CG 4.31Å; Y679-F807 HydrophobicContact CD2-CB 4.48Å; Y679-F807 HydrophobicContact CD2-CD1 4.04Å; Y679-F807 AromaticContact CD2-CD2 3.33Å; Y679-F807 HydrophobicContact CD2-CD2 3.33Å; Y679-F807 HydrophobicContact CD2-CE1 4.06Å; Y679-F807 AromaticContact CD2-CE2 3.36Å; Y679-F807 HydrophobicContact CD2-CE2 3.36Å; Y679-F807 AromaticContact CD2-CG 3.68Å; Y679-F807 HydrophobicContact CD2-CG 3.68Å; Y679-F807 AromaticContact CD2-CZ 3.75Å; Y679-F807 HydrophobicContact CD2-CZ 3.75Å; Y679-F807 AromaticContact CE2-CD2 3.67Å; Y679-F807 HydrophobicContact CE2-CD2 3.67Å; Y679-F807 AromaticContact CE2-CE2 3.59Å; Y679-F807 HydrophobicContact CE2-CE2 3.59Å; Y679-F807 HydrophobicContact CE2-CG 4.44Å; Y679-F807 HydrophobicContact CE2-CZ 4.32Å; Y679-F807 HydrophobicContact CG-CB 3.95Å; Y679-F807 HydrophobicContact CG-CD1 4.05Å; Y679-F807 AromaticContact CG-CD2 3.67Å; Y679-F807 HydrophobicContact CG-CD2 3.67Å; Y679-F807 HydrophobicContact CG-CE1 4.5Å; Y679-F807 HydrophobicContact CG-CE2 4.16Å; Y679-F807 AromaticContact CG-CG 3.6Å; Y679-F807 HydrophobicContact CG-CG 3.6Å; F807-D809 HydrophobicContact CE1-CB 4.34Å; F807-D809 VanDerWaalsContact CE1-OD2 3.22Å; F807-D809 WeakPolarHBondContact CE1-OD2 3.36Å; F807-D809 HydrophobicContact CZ-CB 4.02Å; F807-D809 WeakPolarHBondContact CZ-OD2 3.28Å; F807-L815 HydrophobicContact CE2-CD1 4.18Å; F807-L815 HydrophobicContact CZ-CD1 3.79Å; F807-L815 HydrophobicContact CZ-CD2 4.49Å; F807-Y821 HydrophobicContact CD2-CD2 4.15Å; F807-Y821 AromaticContact CE2-CD2 3.61Å; F807-Y821 HydrophobicContact CE2-CD2 3.61Å; F807-Y821 HydrophobicContact CE2-CE2 4.43Å; F807-Y821 AromaticContact CE2-CG 3.96Å; F807-Y821 HydrophobicContact CE2-CG 3.96Å; F807-L823 HydrophobicContact CB-CD1 4.18Å; F807-L823 HydrophobicContact CD2-CD1 4.45Å
808	L	96.3	Very high	92.8	Very high	17 Å²	17	48.3 Å²	48.3	9%	0.089	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	134.6	179.1	-64.4	174.8	0	0	0	110.7	M790 L806 Y821 S822 F824 F850 C898	M790-L808 HydrophobicContact CE-CD2 4.45Å; M790-L808 HydrophobicContact SD-CD2 4.19Å; L806-L808 HydrophobicContact CD1-CD2 3.92Å; L806-L808 HydrophobicContact CD1-CG 4.1Å; L806-L808 HydrophobicContact CD2-CD1 3.97Å; L806-L808 HydrophobicContact CD2-CD2 4.46Å; L806-L808 HydrophobicContact CD2-CG 4.13Å; L806-L808 HydrophobicContact CG-CD1 4.31Å; L806-L808 HydrophobicContact CG-CD2 4.29Å; L806-L808 HydrophobicContact CG-CG 3.93Å; L808-Y821 CarbonylContact O-C 3.54Å; L808-Y821 VanDerWaalsContact O-CA 3.22Å; L808-Y821 WeakPolarHBondContact O-CA 3.4Å; L808-Y821 WeakPolarHBondContact O-CB 3.19Å; L808-S822 PolarHBondContact N-O 2.89Å; L808-S822 PolarHBondContact O-N 2Å; L808-F824 HydrophobicContact CD1-CE2 4.43Å; L808-F850 HydrophobicContact CB-CD1 4.07Å; L808-C898 HydrophobicContact CD1-CB 3.8Å
809	D	95.7	Very high	92.2	Very high	4 Å²	4	42.2 Å²	42.2	2%	0.021	26%	0.259	C	S	.	.	S	Bend	trans	-154.6	-163.6	171	62.2	7.3	0	0	0	109	R559 Y675 R786 F807 G811 F850	R559-D809 IonicContact CZ-OD2 2.75Å; R559-D809 IonicContact NH1-OD2 3.71Å; R559-D809 IonicContact NH2-OD2 3.63Å; R559-D809 PolarHBondContact NH2-OD2 2.61Å; Y675-D809 VanDerWaalsContact CE1-OD1 3.29Å; Y675-D809 WeakPolarHBondContact CE1-OD1 3.41Å; Y675-D809 PolarHBondContact OH-OD1 3.38Å; Y675-D809 PolarHBondContact OH-OD2 2.99Å; R786-D809 PolarHBondContact NH2-O 2.87Å; F807-D809 HydrophobicContact CE1-CB 4.34Å; F807-D809 VanDerWaalsContact CE1-OD2 3.22Å; F807-D809 WeakPolarHBondContact CE1-OD2 3.36Å; F807-D809 HydrophobicContact CZ-CB 4.02Å; F807-D809 WeakPolarHBondContact CZ-OD2 3.28Å; D809-G811 VanDerWaalsContact C-N 3.27Å; D809-G811 PolarHBondContact O-N 3.42Å; D809-G811 WeakPolarHBondContact OD1-CA 3.43Å; D809-G811 PolarHBondContact OD1-N 2.84Å; D809-F850 WeakPolarHBondContact O-CE1 3.49Å; D809-F850 WeakPolarHBondContact O-CZ 3.43Å
810	D	94	Very high	91.9	Very high	50 Å²	50	40.7 Å²	40.7	27%	0.267	25%	0.251	S	S	.	.			trans	-76.5	-8.4	176.9	73.2	0.1	0	0	0	115	Q812 T813 F850	D810-Q812 VanDerWaalsContact C-N 3.28Å; D810-Q812 PolarHBondContact O-N 2.81Å; D810-Q812 PolarHBondContact OD1-N 2.86Å; D810-T813 WeakPolarHBondContact OD1-CB 3.36Å; D810-T813 PolarHBondContact OD1-N 3.38Å; D810-T813 WeakPolarHBondContact OD2-CB 3.5Å; D810-T813 PolarHBondContact OD2-OG1 3.3Å; D810-F850 HydrophobicContact CB-CE2 4.17Å
811	G	95.6	Very high	91.9	Very high	1 Å²	1	40.7 Å²	40.7	1%	0.01	25%	0.249	C	C	.	.	S	Bend	trans	73.3	7.4	-179.2	0	0	0	0	0	115.7	P304 Y305 D809	P304-G811 CarbonylContact C-O 3.48Å; P304-G811 VanDerWaalsContact CA-O 3.31Å; P304-G811 WeakPolarHBondContact CA-O 3.34Å; Y305-G811 PolarHBondContact N-O 3.01Å; D809-G811 VanDerWaalsContact C-N 3.27Å; D809-G811 PolarHBondContact O-N 3.42Å; D809-G811 WeakPolarHBondContact OD1-CA 3.43Å; D809-G811 PolarHBondContact OD1-N 2.84Å
812	Q	94.1	Very high	91.8	Very high	77 Å²	77	39.3 Å²	39.3	36%	0.36	24%	0.238	S	C	.	.	S	Bend	trans	-139.5	-37.5	-171.1	-66.3	-179.5	56.2	0	0	113.2	R559 D810	R559-Q812 PolarHBondContact N-O 3.02Å; D810-Q812 VanDerWaalsContact C-N 3.28Å; D810-Q812 PolarHBondContact O-N 2.81Å; D810-Q812 PolarHBondContact OD1-N 2.86Å
813	T	93.3	Very high	91.7	Very high	43 Å²	43	39.5 Å²	39.5	26%	0.264	24%	0.238	S	C	.	.	B	Isolated β-bridge	trans	-79.4	134.6	-179.6	-61.1	0	0	0	0	109.4	K557 R559 D810	K557-T813 HydrophobicContact CB-CG2 4.43Å; K557-T813 CarbonylContact O-C 3.41Å; K557-T813 WeakPolarHBondContact O-CA 3.31Å; K557-T813 WeakPolarHBondContact O-CG2 3.5Å; R559-T813 PolarHBondContact NE-O 3.31Å; R559-T813 PolarHBondContact NH2-O 2.99Å; D810-T813 WeakPolarHBondContact OD1-CB 3.36Å; D810-T813 PolarHBondContact OD1-N 3.38Å; D810-T813 WeakPolarHBondContact OD2-CB 3.5Å; D810-T813 PolarHBondContact OD2-OG1 3.3Å
814	D	89.5	Confident	91.7	Very high	21 Å²	21	37.3 Å²	37.3	11%	0.112	22%	0.22	C	C	.	.			trans	-58.9	151.6	177.3	-158.3	7	0	0	0	111.6	K552 K557 R559 L816 S819	K552-D814 IonicContact NZ-OD2 2.72Å; K552-D814 PolarHBondContact NZ-OD2 3.38Å; K557-D814 PolarHBondContact O-N 3.16Å; R559-D814 HydrophobicContact CG-CB 4.2Å; D814-L816 VanDerWaalsContact C-N 3.29Å; D814-L816 HydrophobicContact CB-CD2 4.42Å; D814-L816 HydrophobicContact CB-CG 4.26Å; D814-L816 PolarHBondContact O-N 2.88Å; D814-S819 PolarHBondContact O-OG 3.08Å
815	L	87.9	Confident	91.7	Very high	32 Å²	32	38.2 Å²	38.2	17%	0.168	22%	0.222	C	C	.	.			trans	-84.7	74	-174.7	-151.7	75.8	0	0	0	110.6	Y679 I683 F807 Y821	Y679-L815 HydrophobicContact CD2-CD2 4.25Å; Y679-L815 HydrophobicContact CE2-CD2 3.88Å; I683-L815 HydrophobicContact CD1-CD2 4.31Å; F807-L815 HydrophobicContact CE2-CD1 4.18Å; F807-L815 HydrophobicContact CZ-CD1 3.79Å; F807-L815 HydrophobicContact CZ-CD2 4.49Å; L815-Y821 HydrophobicContact CD1-CD1 4.02Å; L815-Y821 HydrophobicContact CD1-CG 4.18Å
816	L	79.9	Confident	91.7	Very high	86 Å²	86	37.1 Å²	37.1	45%	0.45	21%	0.214	S	C	.	.			trans	-88.9	170.3	178.3	-54	177.3	0	0	0	110.9	D814 D818 S819	D814-L816 VanDerWaalsContact C-N 3.29Å; D814-L816 HydrophobicContact CB-CD2 4.42Å; D814-L816 HydrophobicContact CB-CG 4.26Å; D814-L816 PolarHBondContact O-N 2.88Å; L816-D818 PolarHBondContact O-N 2.82Å; L816-D818 VanDerWaalsContact O-N 3.08Å; L816-S819 PolarHBondContact N-OG 2.84Å; L816-S819 VanDerWaalsContact O-CB 3.31Å; L816-S819 WeakPolarHBondContact O-CB 3.47Å; L816-S819 PolarHBondContact O-N 2.97Å; L816-S819 PolarHBondContact O-OG 2.58Å
817	S	73.1	Confident	91.7	Very high	120 Å²	120	40.4 Å²	40.4	84%	0.839	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.1	-30.2	-178.5	59	0	0	0	0	114.5
818	D	77.2	Confident	91.7	Very high	154 Å²	154	40.5 Å²	40.5	82%	0.824	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-99.6	5.8	-176.8	-57.9	-12	0	0	0	112.7	L816	L816-D818 PolarHBondContact O-N 2.82Å; L816-D818 VanDerWaalsContact O-N 3.08Å
819	S	81.5	Confident	91.8	Very high	18 Å²	18	43.7 Å²	43.7	13%	0.126	25%	0.252	C	S	.	.			trans	-70.8	135.4	-175	-70.1	0	0	0	0	111.9	D814 L816 Y821	D814-S819 PolarHBondContact O-OG 3.08Å; L816-S819 PolarHBondContact N-OG 2.84Å; L816-S819 VanDerWaalsContact O-CB 3.31Å; L816-S819 WeakPolarHBondContact O-CB 3.47Å; L816-S819 PolarHBondContact O-N 2.97Å; L816-S819 PolarHBondContact O-OG 2.58Å; S819-Y821 WeakPolarHBondContact O-CD1 3.16Å; S819-Y821 PolarHBondContact O-N 2.89Å
820	A	89.7	Confident	91.8	Very high	54 Å²	54	45.5 Å²	45.5	45%	0.446	27%	0.265	S	S	.	.			trans	-82.5	105.6	175.9	0	0	0	0	0	110.5	S849 F850	A820-S849 WeakPolarHBondContact CA-OG 3.14Å; A820-F850 WeakPolarHBondContact O-CD2 3.5Å
821	Y	95.3	Very high	91.8	Very high	50 Å²	50	45.6 Å²	45.6	20%	0.196	27%	0.269	C	S	.	.			trans	-134.1	168.1	175.5	71.5	-84.2	0	0	0	111.1	F807 L808 L815 S819 L823 H847 S849 F850	F807-Y821 HydrophobicContact CD2-CD2 4.15Å; F807-Y821 AromaticContact CE2-CD2 3.61Å; F807-Y821 HydrophobicContact CE2-CD2 3.61Å; F807-Y821 HydrophobicContact CE2-CE2 4.43Å; F807-Y821 AromaticContact CE2-CG 3.96Å; F807-Y821 HydrophobicContact CE2-CG 3.96Å; L808-Y821 CarbonylContact O-C 3.54Å; L808-Y821 VanDerWaalsContact O-CA 3.22Å; L808-Y821 WeakPolarHBondContact O-CA 3.4Å; L808-Y821 WeakPolarHBondContact O-CB 3.19Å; L815-Y821 HydrophobicContact CD1-CD1 4.02Å; L815-Y821 HydrophobicContact CD1-CG 4.18Å; S819-Y821 WeakPolarHBondContact O-CD1 3.16Å; S819-Y821 PolarHBondContact O-N 2.89Å; Y821-L823 HydrophobicContact CD2-CB 4.42Å; Y821-L823 HydrophobicContact CE2-CB 4.27Å; Y821-H847 AromaticContact CD1-CD2 3.6Å; Y821-H847 AromaticContact CD1-NE2 3.78Å; Y821-H847 HydrophobicContact CD2-CB 4.31Å; Y821-H847 AromaticContact CD2-CD2 3.59Å; Y821-H847 AromaticContact CE1-CD2 3.44Å; Y821-H847 VanDerWaalsContact CE1-CD2 3.44Å; Y821-H847 WeakPolarHBondContact CE1-CD2 3.33Å; Y821-H847 AromaticContact CE1-NE2 3.61Å; Y821-H847 HydrophobicContact CE2-CB 3.64Å; Y821-H847 AromaticContact CE2-CD2 3.45Å; Y821-H847 VanDerWaalsContact CE2-CD2 3.45Å; Y821-H847 WeakPolarHBondContact CE2-CD2 3.45Å; Y821-H847 AromaticContact CE2-CG 3.68Å; Y821-H847 AromaticContact CG-CD2 3.67Å; Y821-H847 AromaticContact CZ-CD2 3.36Å; Y821-H847 AromaticContact CZ-CG 3.57Å; Y821-H847 AromaticContact CZ-NE2 3.96Å; Y821-H847 PolarHBondContact O-CD2 3.49Å; Y821-S849 PolarHBondContact N-OG 2.89Å; Y821-S849 PolarHBondContact O-N 2.69Å; Y821-S849 PolarHBondContact O-OG 3.15Å; Y821-F850 PolarHBondContact O-N 2.81Å
822	S	95.8	Very high	91.6	Very high	1 Å²	1	54 Å²	54	1%	0.007	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	132.2	169.2	-60.3	0	0	0	0	109.1	L808 H847 N848 F850	L808-S822 PolarHBondContact N-O 2.89Å; L808-S822 PolarHBondContact O-N 2Å; S822-H847 CarbonylContact C-O 3.58Å; S822-H847 VanDerWaalsContact CA-O 3.27Å; S822-H847 WeakPolarHBondContact CA-O 3.41Å; S822-N848 WeakPolarHBondContact OG-CA 3.3Å; S822-N848 PolarHBondContact OG-OD1 2.97Å; S822-F850 WeakPolarHBondContact OG-CB 3.43Å; S822-F850 PolarHBondContact OG-N 2.9Å
823	L	96.7	Very high	91.1	Very high	8 Å²	8	54 Å²	54	4%	0.042	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	120.9	176.3	179.1	67	0	0	0	108.5	Y679 W680 L806 F807 Y821 L846 H847	Y679-L823 HydrophobicContact CD1-CD1 4.07Å; Y679-L823 HydrophobicContact CE1-CD1 3.71Å; Y679-L823 HydrophobicContact CE1-CD2 3.75Å; Y679-L823 HydrophobicContact CE1-CG 4.36Å; Y679-L823 WeakPolarHBondContact OH-CD2 3.46Å; W680-L823 HydrophobicContact CH2-CD2 4.3Å; W680-L823 HydrophobicContact CZ2-CD1 4.27Å; L806-L823 WeakPolarHBondContact O-CA 3.4Å; F807-L823 HydrophobicContact CB-CD1 4.18Å; F807-L823 HydrophobicContact CD2-CD1 4.45Å; Y821-L823 HydrophobicContact CD2-CB 4.42Å; Y821-L823 HydrophobicContact CE2-CB 4.27Å; L823-L846 HydrophobicContact CB-CB 4.44Å; L823-L846 HydrophobicContact CD2-CB 4.08Å; L823-L846 HydrophobicContact CD2-CD1 3.8Å; L823-L846 HydrophobicContact CG-CB 4.26Å; L823-L846 HydrophobicContact CG-CD1 4.18Å; L823-L846 PolarHBondContact O-N 2.9Å; L823-H847 PolarHBondContact N-O 3.36Å; L823-H847 PolarHBondContact O-N 2.95Å
824	F	97.9	Very high	90.5	Very high	0 Å²	0	59.4 Å²	59.4	0%	0	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	141	179.4	-56.8	-85.5	0	0	0	110.8	S805 L806 L808 A844 A845 C898 L901 A902	S805-F824 CarbonylContact C-O 3.57Å; S805-F824 WeakPolarHBondContact CA-O 3.42Å; S805-F824 WeakPolarHBondContact CB-O 3.29Å; L806-F824 PolarHBondContact N-O 3.31Å; L806-F824 PolarHBondContact O-N 3.06Å; L808-F824 HydrophobicContact CD1-CE2 4.43Å; F824-A844 VanDerWaalsContact CA-O 3.3Å; F824-A844 WeakPolarHBondContact CA-O 3.43Å; F824-A845 HydrophobicContact CD1-CB 3.94Å; F824-A845 HydrophobicContact CE1-CB 3.82Å; F824-C898 WeakPolarHBondContact CZ-O 3.36Å; F824-L901 HydrophobicContact CB-CD2 4.33Å; F824-L901 HydrophobicContact CD1-CB 4.43Å; F824-L901 HydrophobicContact CD1-CD2 4.42Å; F824-L901 HydrophobicContact CD2-CD2 4.3Å; F824-L901 HydrophobicContact CE1-CB 4.24Å; F824-L901 HydrophobicContact CG-CD2 4.1Å; F824-L901 HydrophobicContact CZ-CB 4.44Å; F824-A902 HydrophobicContact CD1-CB 4.35Å; F824-A902 HydrophobicContact CE1-CB 4.2Å
825	T	98.1	Very high	90.3	Very high	39 Å²	39	66.3 Å²	66.3	24%	0.239	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	130.5	157.2	57.6	0	0	0	0	108	A843 A844 L846	T825-A843 CarbonylContact O-C 3.6Å; T825-A843 VanDerWaalsContact O-CA 3.26Å; T825-A843 WeakPolarHBondContact O-CA 3.38Å; T825-A844 PolarHBondContact N-O 3.34Å; T825-A844 PolarHBondContact O-N 3.1Å; T825-L846 HydrophobicContact CG2-CD1 3.78Å; T825-L846 HydrophobicContact CG2-CG 4.14Å
826	V	98.2	Very high	90.5	Very high	3 Å²	3	65.9 Å²	65.9	2%	0.018	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	128.2	177.4	-168.8	0	0	0	0	107.9	I772 L792 A803 G804 L841 A843 L901	I772-V826 HydrophobicContact CD1-CB 4.22Å; I772-V826 HydrophobicContact CD1-CG1 3.87Å; I772-V826 HydrophobicContact CG2-CB 4.36Å; I772-V826 HydrophobicContact CG2-CG1 4.3Å; L792-V826 HydrophobicContact CD1-CG1 4.33Å; A803-V826 CarbonylContact C-O 3.47Å; A803-V826 WeakPolarHBondContact CA-O 3.14Å; G804-V826 PolarHBondContact N-O 3.19Å; G804-V826 PolarHBondContact O-N 3.45Å; V826-L841 HydrophobicContact CG1-CD1 3.86Å; V826-L841 HydrophobicContact CG1-CG 4.25Å; V826-A843 HydrophobicContact CG2-CB 4.11Å; V826-L901 HydrophobicContact CG2-CD2 4.34Å
827	N	98.3	Very high	91.1	Very high	70 Å²	70	63.4 Å²	63.4	37%	0.374	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	135.8	-178.8	-67.6	-62	0	0	0	110.2	A803 L841 R842	A803-N827 WeakPolarHBondContact CB-OD1 3.46Å; N827-L841 CarbonylContact O-C 3.55Å; N827-L841 WeakPolarHBondContact O-CA 2.87Å; N827-R842 PolarHBondContact N-O 3.37Å; N827-R842 PolarHBondContact O-N 3.35Å
828	L	98.4	Very high	92.1	Very high	2 Å²	2	61.2 Å²	61.2	1%	0.01	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	122.6	166.5	-178.9	161.6	0	0	0	108.2	I772 V794 L796 M800 A801 A802 F839 S840 L841 W908	I772-L828 HydrophobicContact CD1-CB 4.27Å; V794-L828 HydrophobicContact CG1-CD1 3.61Å; L796-L828 HydrophobicContact CD2-CD1 3.67Å; L796-L828 HydrophobicContact CD2-CD2 3.43Å; L796-L828 VanDerWaalsContact CD2-CD2 3.43Å; L796-L828 HydrophobicContact CD2-CG 4.22Å; M800-L828 WeakPolarHBondContact O-CD2 3.35Å; A801-L828 VanDerWaalsContact CA-O 3.31Å; A801-L828 WeakPolarHBondContact CA-O 3.44Å; A801-L828 WeakPolarHBondContact CB-O 3.18Å; A802-L828 HydrophobicContact CB-CB 4.25Å; A802-L828 PolarHBondContact N-O 2.85Å; A802-L828 PolarHBondContact O-N 2.99Å; L828-F839 HydrophobicContact CD2-CD1 3.91Å; L828-S840 WeakPolarHBondContact CA-O 3.41Å; L828-L841 HydrophobicContact CB-CD1 3.86Å; L828-L841 HydrophobicContact CD1-CD1 4.45Å; L828-W908 HydrophobicContact CD1-CH2 3.48Å; L828-W908 VanDerWaalsContact CD1-CH2 3.48Å; L828-W908 HydrophobicContact CD1-CZ2 3.94Å; L828-W908 HydrophobicContact CG-CH2 4.32Å
829	T	97.6	Very high	93.1	Very high	85 Å²	85	53.9 Å²	53.9	52%	0.521	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	147.8	175.5	57.4	0	0	0	0	110.5	F839 S840	T829-F839 WeakPolarHBondContact O-CA 3.46Å; T829-S840 PolarHBondContact N-O 2.57Å; T829-S840 PolarHBondContact O-N 2.98Å
830	S	95.7	Very high	93.9	Very high	41 Å²	41	54 Å²	54	29%	0.287	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	149.1	172	63.3	0	0	0	0	110.7	S799 M800 R838	S799-S830 PolarHBondContact O-OG 3.18Å; M800-S830 WeakPolarHBondContact O-CB 3.03Å; M800-S830 PolarHBondContact O-OG 3.47Å; S830-R838 CarbonylContact C-O 3.48Å; S830-R838 VanDerWaalsContact CA-O 3.32Å; S830-R838 WeakPolarHBondContact CA-O 3.45Å
831	S	94.9	Very high	94.3	Very high	52 Å²	52	51.9 Å²	51.9	36%	0.364	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	137.6	174.4	59.5	0	0	0	0	110.2	R838	S831-R838 PolarHBondContact N-O 3.44Å; S831-R838 PolarHBondContact O-N 2.96Å
832	E	90.5	Very high	94.4	Very high	179 Å²	179	56.8 Å²	56.8	84%	0.836	29%	0.289	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.6	130.4	176.2	-66.3	-176.4	177.5	0	0	110.8	V837	E832-V837 HydrophobicContact CG-CG2 4.43Å
833	Q	84.5	Confident	94.4	Very high	77 Å²	77	57 Å²	57	36%	0.36	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	117.7	178.4	-62.7	-173.3	-3	0	0	109.7	E835 C836	Q833-E835 PolarHBondContact O-N 2.82Å; Q833-C836 CarbonylContact C-O 3.6Å; Q833-C836 PolarHBondContact N-O 2.89Å; Q833-C836 CarbonylContact O-C 3.59Å; Q833-C836 WeakPolarHBondContact O-CA 3.27Å; Q833-C836 WeakPolarHBondContact O-CB 3.49Å; Q833-C836 PolarHBondContact O-N 2.8Å
834	N	80.8	Confident	94.5	Very high	156 Å²	156	59 Å²	59	83%	0.834	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.4	58.3	172.4	-60.9	-16.8	0	0	0	114.2	C836	N834-C836 PolarHBondContact O-N 2.02Å
835	E	85.2	Confident	94.4	Very high	166 Å²	166	61.1 Å²	61.1	78%	0.776	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.7	10.4	-178.1	-54.8	179.7	171.8	0	0	114.9	Q833 S912	Q833-E835 PolarHBondContact O-N 2.82Å; E835-S912 PolarHBondContact O-N 3.47Å; E835-S912 PolarHBondContact O-OG 2.9Å
836	C	90.7	Very high	94.3	Very high	22 Å²	22	64.4 Å²	64.4	15%	0.149	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	148.8	173.1	-52.1	0	0	0	0	110.8	Q833 N834 R909 V910 C911	Q833-C836 CarbonylContact C-O 3.6Å; Q833-C836 PolarHBondContact N-O 2.89Å; Q833-C836 CarbonylContact O-C 3.59Å; Q833-C836 WeakPolarHBondContact O-CA 3.27Å; Q833-C836 WeakPolarHBondContact O-CB 3.49Å; Q833-C836 PolarHBondContact O-N 2.8Å; N834-C836 PolarHBondContact O-N 2.02Å; C836-R909 HydrophobicContact CB-CB 4.46Å; C836-V910 CarbonylContact C-O 3.5Å; C836-V910 VanDerWaalsContact CA-O 3.26Å; C836-V910 WeakPolarHBondContact CA-O 3.27Å; C836-C911 HydrophobicContact CB-CB 3.97Å; C836-C911 WeakPolarHBondContact CB-SG 3.34Å; C836-C911 WeakPolarHBondContact SG-CB 3.31Å; C836-C911 CovalentContact SG-SG 2.03Å; C836-C911 PolarHBondContact SG-SG 2.68Å
837	V	93.1	Very high	94.1	Very high	35 Å²	35	67.5 Å²	67.5	21%	0.212	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	118.1	164.8	-175.1	0	0	0	0	107.8	E832 F839 R909 V910	E832-V837 HydrophobicContact CG-CG2 4.43Å; V837-F839 HydrophobicContact CB-CE2 3.87Å; V837-F839 HydrophobicContact CB-CZ 4.4Å; V837-F839 HydrophobicContact CG1-CD2 4.11Å; V837-F839 HydrophobicContact CG1-CE1 4.44Å; V837-F839 HydrophobicContact CG1-CE2 3.56Å; V837-F839 HydrophobicContact CG1-CZ 3.76Å; V837-R909 CarbonylContact O-C 3.48Å; V837-R909 VanDerWaalsContact O-CA 3.28Å; V837-R909 WeakPolarHBondContact O-CA 3.12Å; V837-V910 PolarHBondContact N-O 3.44Å; V837-V910 PolarHBondContact O-N 2.92Å
838	R	95.2	Very high	93.9	Very high	73 Å²	73	67.3 Å²	67.3	28%	0.275	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	128.3	170.2	-177.4	-175.9	-176.9	165.6	-0.4	109.1	S830 S831 E907 R909	S830-R838 CarbonylContact C-O 3.48Å; S830-R838 VanDerWaalsContact CA-O 3.32Å; S830-R838 WeakPolarHBondContact CA-O 3.45Å; S831-R838 PolarHBondContact N-O 3.44Å; S831-R838 PolarHBondContact O-N 2.96Å; R838-E907 IonicContact CZ-OE1 3.11Å; R838-E907 IonicContact CZ-OE2 3.64Å; R838-E907 IonicContact NE-OE1 2.86Å; R838-E907 PolarHBondContact NE-OE1 2.84Å; R838-E907 IonicContact NH2-OE1 2.66Å; R838-E907 PolarHBondContact NH2-OE1 2.93Å; R838-E907 IonicContact NH2-OE2 3.02Å; R838-E907 PolarHBondContact NH2-OE2 3.29Å; R838-R909 HydrophobicContact CB-CG 4.29Å; R838-R909 HydrophobicContact CG-CG 4.37Å
839	F	97.5	Very high	93.6	Very high	0 Å²	0	69.8 Å²	69.8	0%	0	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	140.3	173.1	-67.5	-93.6	0	0	0	109.5	L796 M800 L828 T829 V837 P865 E907 W908 V910	L796-F839 HydrophobicContact CD1-CE1 3.97Å; M800-F839 HydrophobicContact CB-CE1 3.96Å; M800-F839 HydrophobicContact CB-CZ 4.33Å; L828-F839 HydrophobicContact CD2-CD1 3.91Å; T829-F839 WeakPolarHBondContact O-CA 3.46Å; V837-F839 HydrophobicContact CB-CE2 3.87Å; V837-F839 HydrophobicContact CB-CZ 4.4Å; V837-F839 HydrophobicContact CG1-CD2 4.11Å; V837-F839 HydrophobicContact CG1-CE1 4.44Å; V837-F839 HydrophobicContact CG1-CE2 3.56Å; V837-F839 HydrophobicContact CG1-CZ 3.76Å; F839-P865 HydrophobicContact CZ-CG 4.2Å; F839-E907 VanDerWaalsContact O-CA 3.26Å; F839-E907 WeakPolarHBondContact O-CA 3.16Å; F839-W908 HydrophobicContact CB-CD2 3.59Å; F839-W908 HydrophobicContact CB-CE3 4.07Å; F839-W908 HydrophobicContact CB-CG 4.1Å; F839-W908 HydrophobicContact CB-CH2 3.96Å; F839-W908 HydrophobicContact CB-CZ2 3.43Å; F839-W908 VanDerWaalsContact CB-CZ2 3.43Å; F839-W908 HydrophobicContact CB-CZ3 4.24Å; F839-W908 AromaticContact CD1-CZ2 3.91Å; F839-W908 HydrophobicContact CD1-CZ2 3.91Å; F839-W908 AromaticContact CD2-CD1 3.69Å; F839-W908 AromaticContact CD2-CE2 3.9Å; F839-W908 HydrophobicContact CD2-CZ2 4.46Å; F839-W908 AromaticContact CD2-NE1 3.23Å; F839-W908 AromaticContact CE2-NE1 3.95Å; F839-W908 HydrophobicContact CG-CD2 4.3Å; F839-W908 AromaticContact CG-CE2 3.51Å; F839-W908 AromaticContact CG-CZ2 3.7Å; F839-W908 HydrophobicContact CG-CZ2 3.7Å; F839-W908 AromaticContact CG-NE1 3.36Å; F839-W908 PolarHBondContact N-O 3.11Å; F839-W908 PolarHBondContact O-N 3.22Å; F839-W908 VanDerWaalsContact O-N 3.14Å; F839-V910 HydrophobicContact CD2-CG2 4.14Å; F839-V910 HydrophobicContact CE2-CB 4.13Å; F839-V910 HydrophobicContact CE2-CG2 3.65Å
840	S	97.7	Very high	93.3	Very high	20 Å²	20	66.9 Å²	66.9	14%	0.14	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	117.3	175.3	171.9	0	0	0	0	109.6	L828 T829 Q905 I906	L828-S840 WeakPolarHBondContact CA-O 3.41Å; T829-S840 PolarHBondContact N-O 2.57Å; T829-S840 PolarHBondContact O-N 2.98Å; S840-Q905 PolarHBondContact OG-NE2 3.46Å; S840-I906 CarbonylContact C-O 3.58Å; S840-I906 WeakPolarHBondContact CA-O 3.33Å
841	L	98	Very high	92.8	Very high	10 Å²	10	70.8 Å²	70.8	5%	0.052	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	123.2	169.7	-179	88.3	0	0	0	108.8	I772 L792 V794 V826 N827 L828 I859 I906 W908	I772-L841 HydrophobicContact CD1-CD1 3.66Å; L792-L841 HydrophobicContact CD1-CD2 4.32Å; V794-L841 HydrophobicContact CG2-CD1 4.4Å; V826-L841 HydrophobicContact CG1-CD1 3.86Å; V826-L841 HydrophobicContact CG1-CG 4.25Å; N827-L841 CarbonylContact O-C 3.55Å; N827-L841 WeakPolarHBondContact O-CA 2.87Å; L828-L841 HydrophobicContact CB-CD1 3.86Å; L828-L841 HydrophobicContact CD1-CD1 4.45Å; L841-I859 HydrophobicContact CD2-CD1 3.72Å; L841-I906 HydrophobicContact CB-CB 4.28Å; L841-I906 HydrophobicContact CD2-CB 4.4Å; L841-I906 HydrophobicContact CD2-CD1 4.26Å; L841-I906 PolarHBondContact N-O 2.99Å; L841-I906 PolarHBondContact O-N 3.13Å; L841-W908 HydrophobicContact CB-CZ3 4.46Å
842	R	97.3	Very high	92.2	Very high	154 Å²	154	75.2 Å²	75.2	58%	0.581	38%	0.379	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-140.4	140.9	179.6	-172	174.3	-177.3	-179.2	2.3	111	N827	N827-R842 PolarHBondContact N-O 3.37Å; N827-R842 PolarHBondContact O-N 3.35Å
843	A	97	Very high	91.8	Very high	6 Å²	6	71.9 Å²	71.9	5%	0.05	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	148.1	167.8	0	0	0	0	0	111.3	T825 V826 L901	T825-A843 CarbonylContact O-C 3.6Å; T825-A843 VanDerWaalsContact O-CA 3.26Å; T825-A843 WeakPolarHBondContact O-CA 3.38Å; V826-A843 HydrophobicContact CG2-CB 4.11Å; A843-L901 HydrophobicContact CB-CD2 4.03Å; A843-L901 HydrophobicContact CB-CG 3.66Å
844	A	97.5	Very high	92.1	Very high	49 Å²	49	69.3 Å²	69.3	41%	0.405	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	130.1	166.4	0	0	0	0	0	108.5	F824 T825	F824-A844 VanDerWaalsContact CA-O 3.3Å; F824-A844 WeakPolarHBondContact CA-O 3.43Å; T825-A844 PolarHBondContact N-O 3.34Å; T825-A844 PolarHBondContact O-N 3.1Å
845	A	96.4	Very high	92.7	Very high	45 Å²	45	65.3 Å²	65.3	37%	0.372	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	116.8	173.5	0	0	0	0	0	109.4	F824 N848 A902	F824-A845 HydrophobicContact CD1-CB 3.94Å; F824-A845 HydrophobicContact CE1-CB 3.82Å; A845-N848 HydrophobicContact CB-CB 3.91Å; A845-A902 HydrophobicContact CB-CB 3.93Å
846	L	95.3	Very high	93.2	Very high	108 Å²	108	57.5 Å²	57.5	57%	0.565	31%	0.305	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.1	-33.7	168.1	-59.7	-176.5	0	0	0	110.7	L823 T825	L823-L846 HydrophobicContact CB-CB 4.44Å; L823-L846 HydrophobicContact CD2-CB 4.08Å; L823-L846 HydrophobicContact CD2-CD1 3.8Å; L823-L846 HydrophobicContact CG-CB 4.26Å; L823-L846 HydrophobicContact CG-CD1 4.18Å; L823-L846 PolarHBondContact O-N 2.9Å; T825-L846 HydrophobicContact CG2-CD1 3.78Å; T825-L846 HydrophobicContact CG2-CG 4.14Å
847	H	94.1	Very high	93.4	Very high	67 Å²	67	58.3 Å²	58.3	31%	0.31	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	143.3	169.9	-173.4	79.8	0	0	0	108.4	Y821 S822 L823 S849	Y821-H847 AromaticContact CD1-CD2 3.6Å; Y821-H847 AromaticContact CD1-NE2 3.78Å; Y821-H847 HydrophobicContact CD2-CB 4.31Å; Y821-H847 AromaticContact CD2-CD2 3.59Å; Y821-H847 AromaticContact CE1-CD2 3.44Å; Y821-H847 VanDerWaalsContact CE1-CD2 3.44Å; Y821-H847 WeakPolarHBondContact CE1-CD2 3.33Å; Y821-H847 AromaticContact CE1-NE2 3.61Å; Y821-H847 HydrophobicContact CE2-CB 3.64Å; Y821-H847 AromaticContact CE2-CD2 3.45Å; Y821-H847 VanDerWaalsContact CE2-CD2 3.45Å; Y821-H847 WeakPolarHBondContact CE2-CD2 3.45Å; Y821-H847 AromaticContact CE2-CG 3.68Å; Y821-H847 AromaticContact CG-CD2 3.67Å; Y821-H847 AromaticContact CZ-CD2 3.36Å; Y821-H847 AromaticContact CZ-CG 3.57Å; Y821-H847 AromaticContact CZ-NE2 3.96Å; Y821-H847 PolarHBondContact O-CD2 3.49Å; S822-H847 CarbonylContact C-O 3.58Å; S822-H847 VanDerWaalsContact CA-O 3.27Å; S822-H847 WeakPolarHBondContact CA-O 3.41Å; L823-H847 PolarHBondContact N-O 3.36Å; L823-H847 PolarHBondContact O-N 2.95Å; H847-S849 PolarHBondContact NE2-OG 3.1Å
848	N	93.9	Very high	93.5	Very high	67 Å²	67	58.9 Å²	58.9	36%	0.358	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	81.4	-177.4	-170.7	27.1	0	0	0	112.4	S822 A845 N899	S822-N848 WeakPolarHBondContact OG-CA 3.3Å; S822-N848 PolarHBondContact OG-OD1 2.97Å; A845-N848 HydrophobicContact CB-CB 3.91Å; N848-N899 PolarHBondContact ND2-O 2.95Å
849	S	93.2	Very high	93.7	Very high	54 Å²	54	55.7 Å²	55.7	38%	0.378	30%	0.296	S	S	.	.			trans	-119.6	-11.3	177.6	60.8	0	0	0	0	113.1	A820 Y821 H847	A820-S849 WeakPolarHBondContact CA-OG 3.14Å; Y821-S849 PolarHBondContact N-OG 2.89Å; Y821-S849 PolarHBondContact O-N 2.69Å; Y821-S849 PolarHBondContact O-OG 3.15Å; H847-S849 PolarHBondContact NE2-OG 3.1Å
850	F	91.5	Very high	93.7	Very high	24 Å²	24	55.7 Å²	55.7	11%	0.105	30%	0.296	C	S	.	.			trans	-79.3	121.8	178.9	-172.1	-114.4	0	0	0	112.3	L808 D809 D810 A820 Y821 S822 R852	L808-F850 HydrophobicContact CB-CD1 4.07Å; D809-F850 WeakPolarHBondContact O-CE1 3.49Å; D809-F850 WeakPolarHBondContact O-CZ 3.43Å; D810-F850 HydrophobicContact CB-CE2 4.17Å; A820-F850 WeakPolarHBondContact O-CD2 3.5Å; Y821-F850 PolarHBondContact O-N 2.81Å; S822-F850 WeakPolarHBondContact OG-CB 3.43Å; S822-F850 PolarHBondContact OG-N 2.9Å; F850-R852 HydrophobicContact CD1-CB 4.48Å; F850-R852 HydrophobicContact CE1-CB 3.66Å; F850-R852 HydrophobicContact CE2-CB 3.94Å; F850-R852 HydrophobicContact CZ-CB 3.34Å; F850-R852 HydrophobicContact CZ-CG 4.3Å
851	N	85.1	Confident	93.7	Very high	122 Å²	122	54.8 Å²	54.8	65%	0.652	29%	0.29	S	S	*	.			trans	-122.7	23	-169.7	-163.2	16.9	0	0	0	114.2	N899	N851-N899 PolarHBondContact OD1-ND2 2.02Å
852	R	82.3	Confident	93.7	Very high	145 Å²	145	54.3 Å²	54.3	55%	0.547	29%	0.287	S	S	.	.	S	Bend	trans	-74.1	150.6	176	-160.5	173.4	-180	178.7	-2.4	110.6	F850 C854	F850-R852 HydrophobicContact CD1-CB 4.48Å; F850-R852 HydrophobicContact CE1-CB 3.66Å; F850-R852 HydrophobicContact CE2-CB 3.94Å; F850-R852 HydrophobicContact CZ-CB 3.34Å; F850-R852 HydrophobicContact CZ-CG 4.3Å; R852-C854 PolarHBondContact O-N 3.39Å; R852-C854 VanDerWaalsContact O-N 3.09Å
853	S	81.5	Confident	93.7	Very high	110 Å²	110	47 Å²	47	77%	0.769	26%	0.261	S	S	*	.	S	Bend	trans	-58.9	113.3	177.1	56.2	0	0	0	0	110.9
854	C	90.3	Very high	93.6	Very high	22 Å²	22	46.8 Å²	46.8	15%	0.149	26%	0.258	C	S	.	.			trans	-156.4	138.1	178.7	169.5	0	0	0	0	106	M790 R852 R897 C898	M790-C854 PolarHBondContact SD-SG 2.78Å; R852-C854 PolarHBondContact O-N 3.39Å; R852-C854 VanDerWaalsContact O-N 3.09Å; C854-R897 CarbonylContact O-C 3.51Å; C854-R897 WeakPolarHBondContact O-CA 3.41Å; C854-C898 HydrophobicContact CB-CB 3.66Å; C854-C898 WeakPolarHBondContact CB-SG 3.34Å; C854-C898 PolarHBondContact O-N 3.29Å; C854-C898 PolarHBondContact O-SG 3.25Å; C854-C898 VanDerWaalsContact O-SG 3.37Å; C854-C898 WeakPolarHBondContact SG-CB 3.31Å; C854-C898 CovalentContact SG-SG 2.05Å; C854-C898 PolarHBondContact SG-SG 2.64Å
855	F	93.6	Very high	93.3	Very high	72 Å²	72	47 Å²	47	32%	0.316	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	151.5	176.2	63.2	-83	0	0	0	111.5	P789 M790 D857 V896 C898	P789-F855 WeakPolarHBondContact CA-O 3.49Å; P789-F855 HydrophobicContact CB-CD2 4.1Å; P789-F855 HydrophobicContact CB-CE2 3.63Å; P789-F855 HydrophobicContact CB-CZ 3.98Å; P789-F855 HydrophobicContact CG-CD2 4.47Å; P789-F855 HydrophobicContact CG-CE1 4.4Å; P789-F855 HydrophobicContact CG-CE2 3.54Å; P789-F855 HydrophobicContact CG-CZ 3.51Å; M790-F855 PolarHBondContact N-O 2.82Å; F855-D857 HydrophobicContact CD2-CB 4.36Å; F855-D857 HydrophobicContact CE2-CB 4.16Å; F855-V896 CarbonylContact C-O 3.58Å; F855-V896 WeakPolarHBondContact CA-O 3.07Å; F855-C898 PolarHBondContact N-SG 2.96Å; F855-C898 VanDerWaalsContact N-SG 3.35Å
856	F	95.3	Very high	93.2	Very high	3 Å²	3	48.9 Å²	48.9	1%	0.013	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	126.9	169	-70.8	-88.9	0	0	0	109.3	M790 L792 L806 L894 D895 V896 C898 L901	M790-F856 HydrophobicContact CB-CD1 3.6Å; M790-F856 HydrophobicContact CB-CE1 3.52Å; M790-F856 HydrophobicContact CB-CG 4.15Å; M790-F856 HydrophobicContact CB-CZ 4Å; M790-F856 HydrophobicContact CE-CE1 4.14Å; M790-F856 HydrophobicContact CE-CZ 3.99Å; M790-F856 VanDerWaalsContact O-CA 3.26Å; M790-F856 WeakPolarHBondContact O-CA 3.44Å; M790-F856 HydrophobicContact SD-CE1 4.3Å; M790-F856 HydrophobicContact SD-CE2 4.38Å; M790-F856 HydrophobicContact SD-CZ 3.9Å; L792-F856 HydrophobicContact CD1-CE1 4.5Å; L792-F856 HydrophobicContact CD2-CD1 4.29Å; L792-F856 HydrophobicContact CD2-CE1 3.57Å; L792-F856 HydrophobicContact CD2-CZ 4.27Å; L792-F856 HydrophobicContact CG-CD1 3.99Å; L792-F856 HydrophobicContact CG-CE1 3.78Å; L806-F856 HydrophobicContact CD2-CE2 4.26Å; L806-F856 HydrophobicContact CD2-CZ 3.56Å; F856-L894 WeakPolarHBondContact O-CB 3.33Å; F856-D895 PolarHBondContact O-N 2.9Å; F856-V896 HydrophobicContact CB-CB 4.37Å; F856-V896 PolarHBondContact N-O 2.92Å; F856-V896 PolarHBondContact O-N 3.41Å; F856-V896 VanDerWaalsContact O-N 3.09Å; F856-C898 HydrophobicContact CE2-CB 4.14Å; F856-L901 HydrophobicContact CD2-CD1 3.93Å; F856-L901 HydrophobicContact CE2-CD1 3.91Å; F856-L901 HydrophobicContact CE2-CD2 3.86Å; F856-L901 HydrophobicContact CE2-CG 4.3Å; F856-L901 HydrophobicContact CZ-CD2 4.11Å
857	D	95.3	Very high	93.1	Very high	39 Å²	39	50.5 Å²	50.5	21%	0.209	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	-26.5	176.2	68.7	-21.7	0	0	0	112.9	P789 M790 F855 D892 N893 L894	P789-D857 HydrophobicContact CB-CB 3.65Å; P789-D857 WeakPolarHBondContact CB-OD1 3.5Å; P789-D857 WeakPolarHBondContact CB-OD2 3.1Å; P789-D857 HydrophobicContact CG-CB 4.24Å; M790-D857 PolarHBondContact O-N 3.16Å; M790-D857 VanDerWaalsContact O-N 3.09Å; F855-D857 HydrophobicContact CD2-CB 4.36Å; F855-D857 HydrophobicContact CE2-CB 4.16Å; D857-D892 CarbonylContact O-C 3.46Å; D857-N893 PolarHBondContact O-N 3.21Å; D857-L894 PolarHBondContact O-N 3.09Å
858	Q	96.6	Very high	93.2	Very high	46 Å²	46	47.8 Å²	47.8	22%	0.215	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	142.7	-171.2	176.4	179.3	99.6	0	0	113.6	Q791 L792 I860 V890 I891	Q791-Q858 WeakPolarHBondContact CA-O 3.24Å; Q791-Q858 WeakPolarHBondContact CB-O 3.26Å; Q791-Q858 HydrophobicContact CG-CB 3.75Å; Q791-Q858 HydrophobicContact CG-CG 4.28Å; L792-Q858 PolarHBondContact N-O 3.15Å; L792-Q858 VanDerWaalsContact N-O 3.12Å; Q858-I860 HydrophobicContact CG-CG1 4.05Å; Q858-V890 HydrophobicContact CG-CG1 3.82Å; Q858-I891 CarbonylContact C-O 3.51Å; Q858-I891 WeakPolarHBondContact CA-O 2.84Å; Q858-I891 WeakPolarHBondContact CG-O 3.4Å
859	I	97.7	Very high	93.2	Very high	6 Å²	6	46.6 Å²	46.6	3%	0.031	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	132.5	168.5	-68	167.4	0	0	0	109	L792 V794 L841 V861 V890 I891 L894 I906	L792-I859 HydrophobicContact CB-CG1 4.08Å; L792-I859 HydrophobicContact CD1-CD1 4.24Å; L792-I859 HydrophobicContact CD1-CG1 4.27Å; L792-I859 HydrophobicContact CG-CG1 4.38Å; L792-I859 WeakPolarHBondContact O-CA 3.45Å; V794-I859 HydrophobicContact CG2-CG2 4.23Å; L841-I859 HydrophobicContact CD2-CD1 3.72Å; I859-V861 HydrophobicContact CG2-CG2 3.94Å; I859-V890 WeakPolarHBondContact O-CA 2.92Å; I859-I891 HydrophobicContact CB-CB 4.49Å; I859-I891 PolarHBondContact N-O 3.47Å; I859-I891 PolarHBondContact O-N 2.95Å; I859-L894 HydrophobicContact CB-CD1 4.14Å; I859-L894 HydrophobicContact CD1-CD1 3.45Å; I859-L894 VanDerWaalsContact CD1-CD1 3.45Å; I859-L894 HydrophobicContact CG1-CD1 3.51Å; I859-I906 HydrophobicContact CD1-CD1 3.1Å; I859-I906 HydrophobicContact CG1-CD1 4.49Å
860	I	98	Very high	93.2	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	120.8	-179.5	-56.3	149.2	0	0	0	107.1	R743 M775 L792 L793 V794 Q858 M862 V888 M889 V890	R743-I860 VanDerWaalsContact NH1-CG1 3.33Å; M775-I860 HydrophobicContact CE-CD1 3.83Å; L792-I860 PolarHBondContact O-N 3.42Å; L793-I860 HydrophobicContact CD1-CB 3.71Å; L793-I860 HydrophobicContact CD1-CD1 4.3Å; L793-I860 HydrophobicContact CD1-CG2 3.57Å; V794-I860 PolarHBondContact N-O 3.39Å; Q858-I860 HydrophobicContact CG-CG1 4.05Å; I860-M862 HydrophobicContact CG2-CG 4.38Å; I860-V888 HydrophobicContact CG2-CG1 3.82Å; I860-M889 CarbonylContact C-O 3.59Å; I860-M889 WeakPolarHBondContact CA-O 3.49Å; I860-V890 HydrophobicContact CG1-CG2 4.41Å; I860-V890 HydrophobicContact CG2-CG2 4.46Å
861	V	98.3	Very high	93.4	Very high	1 Å²	1	48.4 Å²	48.4	1%	0.006	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	119.9	179.7	-171	0	0	0	0	109.1	V794 L796 I859 L864 V888 M889 W908	V794-V861 HydrophobicContact CB-CG1 4.46Å; V794-V861 HydrophobicContact CB-CG2 4.34Å; V794-V861 HydrophobicContact CG1-CG1 4.4Å; V794-V861 WeakPolarHBondContact O-CA 3.49Å; L796-V861 HydrophobicContact CD1-CG1 4.28Å; L796-V861 HydrophobicContact CG-CG1 4.27Å; I859-V861 HydrophobicContact CG2-CG2 3.94Å; V861-L864 HydrophobicContact CG1-CD1 4.5Å; V861-L864 HydrophobicContact CG1-CD2 4.09Å; V861-L864 HydrophobicContact CG1-CG 4.13Å; V861-V888 CarbonylContact O-C 3.5Å; V861-V888 WeakPolarHBondContact O-CA 3.02Å; V861-M889 HydrophobicContact CB-CE 4.26Å; V861-M889 HydrophobicContact CG2-CE 3.91Å; V861-M889 PolarHBondContact N-O 2.78Å; V861-M889 PolarHBondContact O-N 3.02Å; V861-W908 HydrophobicContact CG1-CH2 4.32Å; V861-W908 HydrophobicContact CG1-CZ2 3.98Å; V861-W908 HydrophobicContact CG2-CH2 4.01Å; V861-W908 HydrophobicContact CG2-CZ2 4.32Å
862	M	98.2	Very high	94	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	149.1	-178.7	-54.8	-175.8	-63.3	0	0	111.3	F738 R743 I767 L793 V794 A795 L796 I860 V888	F738-M862 HydrophobicContact CB-CE 3.89Å; F738-M862 HydrophobicContact CB-SD 4.3Å; F738-M862 HydrophobicContact CD1-CB 3.96Å; F738-M862 HydrophobicContact CE1-CB 4.19Å; F738-M862 HydrophobicContact CG-CE 4.19Å; R743-M862 HydrophobicContact CB-CG 4.34Å; R743-M862 HydrophobicContact CB-SD 3.77Å; R743-M862 HydrophobicContact CG-SD 4.24Å; I767-M862 HydrophobicContact CB-CE 4.33Å; I767-M862 HydrophobicContact CD1-CE 3.78Å; I767-M862 HydrophobicContact CG2-CE 4.5Å; L793-M862 HydrophobicContact CD1-CE 3.79Å; L793-M862 HydrophobicContact CD1-CG 4.12Å; L793-M862 HydrophobicContact CD1-SD 3.84Å; L793-M862 HydrophobicContact CG-CE 4.08Å; V794-M862 PolarHBondContact O-N 3.34Å; A795-M862 HydrophobicContact CB-CE 3.74Å; L796-M862 WeakPolarHBondContact CG-O 3.4Å; L796-M862 PolarHBondContact N-O 2.96Å; I860-M862 HydrophobicContact CG2-CG 4.38Å; M862-V888 HydrophobicContact CB-CG2 4.47Å; M862-V888 HydrophobicContact CG-CG2 4.16Å
863	G	96.2	Very high	94.6	Very high	2 Å²	2	39.2 Å²	39.2	2%	0.021	21%	0.214	C	C	.	.	S	Bend	trans	78.9	28.6	173.8	0	0	0	0	0	114.1	R736 K887	R736-G863 PolarHBondContact NH1-O 3.39Å; R736-G863 VanDerWaalsContact NH2-CA 3.33Å; R736-G863 PolarHBondContact NH2-O 2.88Å; G863-K887 PolarHBondContact N-O 3.36Å
864	L	95.5	Very high	95.2	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	20%	0.201	C	C	.	.			trans	-64.9	142.4	175	-75	166.9	0	0	0	111	L796 V861 P868 Y882 K887 M889 W908	L796-L864 HydrophobicContact CD1-CD2 4Å; L796-L864 HydrophobicContact CD1-CG 4.46Å; V861-L864 HydrophobicContact CG1-CD1 4.5Å; V861-L864 HydrophobicContact CG1-CD2 4.09Å; V861-L864 HydrophobicContact CG1-CG 4.13Å; L864-P868 HydrophobicContact CD1-CG 4.19Å; L864-Y882 HydrophobicContact CB-CE2 4.3Å; L864-Y882 HydrophobicContact CD1-CD2 4.15Å; L864-Y882 HydrophobicContact CD1-CE2 4.1Å; L864-K887 PolarHBondContact N-O 3.22Å; L864-K887 WeakPolarHBondContact O-CB 3.28Å; L864-K887 WeakPolarHBondContact O-CD 3.18Å; L864-M889 HydrophobicContact CD1-CB 3.43Å; L864-M889 VanDerWaalsContact CD1-CB 3.43Å; L864-M889 HydrophobicContact CD1-CE 4.49Å; L864-W908 HydrophobicContact CD2-CZ2 4.21Å
865	P	91.9	Very high	95.4	Very high	55 Å²	55	39.1 Å²	39.1	36%	0.357	22%	0.222	S	C	.	.	S	Bend	trans	-68.7	-36.5	-179.9	22.4	-28.6	0	0	0	113	F839 V910	F839-P865 HydrophobicContact CZ-CG 4.2Å; P865-V910 HydrophobicContact CG-CB 4.38Å; P865-V910 HydrophobicContact CG-CG1 4.09Å; P865-V910 HydrophobicContact CG-CG2 4.46Å
866	D	92.6	Very high	95.4	Very high	83 Å²	83	38.5 Å²	38.5	44%	0.444	23%	0.23	S	C	.	.	S	Bend	trans	-159.3	-175.2	178.6	-154.4	-17.1	0	0	0	110.2	V910	D866-V910 HydrophobicContact CB-CG1 3.52Å
867	R	94.4	Very high	95.4	Very high	143 Å²	143	42.6 Å²	42.6	54%	0.54	27%	0.265	S	S	.	.			trans	-57.2	125.6	-178.8	-178.1	-179.7	-68.6	-84.5	-0.7	111.5	Y882	R867-Y882 VanDerWaalsContact CA-CE1 3.49Å; R867-Y882 HydrophobicContact CB-CD1 3.84Å; R867-Y882 HydrophobicContact CB-CE1 3.74Å; R867-Y882 HydrophobicContact CG-CD1 3.83Å; R867-Y882 HydrophobicContact CG-CE1 4.27Å; R867-Y882 HydrophobicContact CG-CG 4.48Å
868	P	95.5	Very high	95.4	Very high	9 Å²	9	42 Å²	42	6%	0.058	26%	0.263	C	S	.	.			trans	-73.6	142.5	173.8	29.7	-32.1	0	0	0	111.4	L864 V871 Y882 M889 W908 R909	L864-P868 HydrophobicContact CD1-CG 4.19Å; P868-V871 HydrophobicContact CB-CG2 4.17Å; P868-Y882 HydrophobicContact CG-CD2 4.21Å; P868-Y882 HydrophobicContact CG-CG 4.32Å; P868-M889 HydrophobicContact CB-CE 4.5Å; P868-M889 HydrophobicContact CB-SD 3.73Å; P868-M889 HydrophobicContact CG-CB 4.13Å; P868-M889 HydrophobicContact CG-CE 4.47Å; P868-M889 HydrophobicContact CG-CG 3.99Å; P868-M889 HydrophobicContact CG-SD 3.33Å; P868-M889 WeakPolarHBondContact CG-SD 3.25Å; P868-W908 HydrophobicContact CB-CB 4.34Å; P868-W908 HydrophobicContact CB-CG 4.12Å; P868-R909 CarbonylContact C-O 3.51Å; P868-R909 WeakPolarHBondContact CA-O 3.07Å
869	A	93.4	Very high	95.3	Very high	42 Å²	42	47 Å²	47	35%	0.347	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	155.5	174.4	0	0	0	0	0	110.1	V871 R909	A869-V871 PolarHBondContact O-N 2.99Å; A869-R909 PolarHBondContact N-O 3.09Å; A869-R909 PolarHBondContact O-N 2.7Å
870	N	93.7	Very high	95.2	Very high	110 Å²	110	49.3 Å²	49.3	59%	0.588	29%	0.292	S	S	*	.	E	Extended strand (participates in β ladder)	trans	50.8	55.1	-179.3	-59.7	-36.8	0	0	0	112.4	L872 W908	N870-L872 WeakPolarHBondContact O-CG 3.05Å; N870-L872 PolarHBondContact O-N 3.48Å; N870-W908 WeakPolarHBondContact O-CA 3.36Å
871	V	96.7	Very high	95.1	Very high	6 Å²	6	54 Å²	54	4%	0.036	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	111.7	175.4	-170	0	0	0	0	108.4	P868 A869 V878 N880 M889 I891 E907 W908	P868-V871 HydrophobicContact CB-CG2 4.17Å; A869-V871 PolarHBondContact O-N 2.99Å; V871-V878 HydrophobicContact CB-CG2 4.44Å; V871-V878 HydrophobicContact CG1-CG2 3.84Å; V871-V878 PolarHBondContact O-N 2.91Å; V871-V878 VanDerWaalsContact O-N 3.16Å; V871-N880 HydrophobicContact CB-CB 4.5Å; V871-N880 VanDerWaalsContact CB-ND2 3.33Å; V871-N880 WeakPolarHBondContact CB-ND2 3.02Å; V871-N880 HydrophobicContact CG1-CB 4.43Å; V871-N880 HydrophobicContact CG2-CB 4.33Å; V871-N880 WeakPolarHBondContact CG2-ND2 3.43Å; V871-M889 HydrophobicContact CG1-SD 4.18Å; V871-M889 HydrophobicContact CG2-SD 3.69Å; V871-I891 HydrophobicContact CG1-CD1 3.6Å; V871-I891 HydrophobicContact CG1-CG1 4.01Å; V871-E907 CarbonylContact C-O 3.56Å; V871-E907 WeakPolarHBondContact CA-O 3.14Å; V871-W908 HydrophobicContact CB-CB 4.36Å; V871-W908 HydrophobicContact CG2-CB 3.9Å
872	L	97	Very high	95	Very high	49 Å²	49	55.2 Å²	55.2	26%	0.257	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	138.3	-173.4	-54.8	177.5	0	0	0	110.5	N870 A876 A877 I906 E907	N870-L872 WeakPolarHBondContact O-CG 3.05Å; N870-L872 PolarHBondContact O-N 3.48Å; L872-A876 CarbonylContact C-O 3.53Å; L872-A876 VanDerWaalsContact CA-O 3.22Å; L872-A876 WeakPolarHBondContact CA-O 3.44Å; L872-A877 HydrophobicContact CD2-CB 4.15Å; L872-I906 CarbonylContact O-C 3.56Å; L872-I906 VanDerWaalsContact O-CA 3.28Å; L872-I906 WeakPolarHBondContact O-CA 3.46Å; L872-E907 PolarHBondContact N-O 2.8Å; L872-E907 PolarHBondContact O-N 3.32Å
873	L	95.7	Very high	94.9	Very high	26 Å²	26	58.4 Å²	58.4	14%	0.136	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	112.7	163.5	173.4	66	0	0	0	108.1	G875 A876 V878 L894 V896 Q905 I906	L873-G875 PolarHBondContact O-N 3.09Å; L873-G875 VanDerWaalsContact O-N 3.1Å; L873-A876 PolarHBondContact N-O 3.15Å; L873-A876 PolarHBondContact O-N 3.08Å; L873-V878 HydrophobicContact CB-CG1 3.4Å; L873-V878 HydrophobicContact CB-CG2 4.38Å; L873-V878 HydrophobicContact CD2-CG1 4.19Å; L873-V878 HydrophobicContact CG-CG1 4.45Å; L873-L894 HydrophobicContact CD1-CD2 4.47Å; L873-L894 HydrophobicContact CD2-CD2 3.99Å; L873-V896 HydrophobicContact CD1-CG2 3.97Å; L873-V896 HydrophobicContact CD2-CG2 3.82Å; L873-Q905 CarbonylContact C-O 3.54Å; L873-I906 HydrophobicContact CB-CG1 4.42Å; L873-I906 HydrophobicContact CD1-CD1 3.99Å; L873-I906 HydrophobicContact CD1-CG1 3.51Å
874	S	94.2	Very high	94.8	Very high	72 Å²	72	62 Å²	62	50%	0.503	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	48.3	40.2	-179.3	-59.5	0	0	0	0	112.9	Q905	S874-Q905 PolarHBondContact N-O 3.36Å; S874-Q905 PolarHBondContact OG-N 2.87Å
875	G	93.7	Very high	94.7	Very high	57 Å²	57	67 Å²	67	59%	0.588	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	88.8	-12.1	-179.7	0	0	0	0	0	115.9	L873	L873-G875 PolarHBondContact O-N 3.09Å; L873-G875 VanDerWaalsContact O-N 3.1Å
876	A	94.5	Very high	94.8	Very high	59 Å²	59	65.2 Å²	65.2	49%	0.488	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	136	176.5	0	0	0	0	0	111.3	L872 L873 V878	L872-A876 CarbonylContact C-O 3.53Å; L872-A876 VanDerWaalsContact CA-O 3.22Å; L872-A876 WeakPolarHBondContact CA-O 3.44Å; L873-A876 PolarHBondContact N-O 3.15Å; L873-A876 PolarHBondContact O-N 3.08Å; A876-V878 PolarHBondContact O-N 3.04Å
877	A	94.6	Very high	94.9	Very high	89 Å²	89	65.7 Å²	65.7	74%	0.736	38%	0.382	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-64.3	133.4	175.8	0	0	0	0	0	111	L872	L872-A877 HydrophobicContact CD2-CB 4.15Å
878	V	95.2	Very high	95.1	Very high	27 Å²	27	59.3 Å²	59.3	16%	0.164	36%	0.358	C	S	.	.			trans	-118.8	152.7	179.1	-71.3	0	0	0	0	111.7	V871 L873 A876 N880 I891	V871-V878 HydrophobicContact CB-CG2 4.44Å; V871-V878 HydrophobicContact CG1-CG2 3.84Å; V871-V878 PolarHBondContact O-N 2.91Å; V871-V878 VanDerWaalsContact O-N 3.16Å; L873-V878 HydrophobicContact CB-CG1 3.4Å; L873-V878 HydrophobicContact CB-CG2 4.38Å; L873-V878 HydrophobicContact CD2-CG1 4.19Å; L873-V878 HydrophobicContact CG-CG1 4.45Å; A876-V878 PolarHBondContact O-N 3.04Å; V878-N880 PolarHBondContact O-N 2.82Å; V878-N880 PolarHBondContact O-ND2 3.1Å; V878-I891 HydrophobicContact CB-CG2 4.21Å; V878-I891 HydrophobicContact CG2-CG2 3.64Å
879	R	94	Very high	95.2	Very high	151 Å²	151	58.9 Å²	58.9	57%	0.57	36%	0.356	S	S	*	.			trans	-65.6	133.6	175.6	-174.6	-179.9	177.1	-163.8	0.7	109.2	I891 D892	R879-I891 WeakPolarHBondContact O-CG2 3.47Å; R879-D892 VanDerWaalsContact CB-OD1 3.27Å; R879-D892 WeakPolarHBondContact CB-OD1 3.32Å; R879-D892 WeakPolarHBondContact CD-OD1 3.33Å; R879-D892 WeakPolarHBondContact CG-OD1 3.35Å; R879-D892 IonicContact CZ-OD2 3.24Å; R879-D892 IonicContact NE-OD1 3.32Å; R879-D892 IonicContact NE-OD2 3.59Å; R879-D892 IonicContact NH1-OD2 3.72Å; R879-D892 PolarHBondContact NH1-OD2 2.96Å; R879-D892 PolarHBondContact O-N 2.89Å
880	N	95.4	Very high	95.4	Very high	55 Å²	55	58 Å²	58	29%	0.294	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	157	174	65.2	76.4	0	0	0	109.9	V871 V878 M889 V890 I891	V871-N880 HydrophobicContact CB-CB 4.5Å; V871-N880 VanDerWaalsContact CB-ND2 3.33Å; V871-N880 WeakPolarHBondContact CB-ND2 3.02Å; V871-N880 HydrophobicContact CG1-CB 4.43Å; V871-N880 HydrophobicContact CG2-CB 4.33Å; V871-N880 WeakPolarHBondContact CG2-ND2 3.43Å; V878-N880 PolarHBondContact O-N 2.82Å; V878-N880 PolarHBondContact O-ND2 3.1Å; N880-M889 HydrophobicContact CB-CG 4.21Å; N880-M889 HydrophobicContact CB-SD 4.24Å; N880-V890 CarbonylContact C-O 3.2Å; N880-V890 WeakPolarHBondContact CA-O 3.28Å; N880-I891 HydrophobicContact CB-CG1 4.28Å
881	M	96.4	Very high	95.6	Very high	99 Å²	99	52.7 Å²	52.7	49%	0.488	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	133.2	171.3	-65.7	-179.7	-71.1	0	0	107.8	M889 V890	M881-M889 CarbonylContact O-C 3.6Å; M881-M889 VanDerWaalsContact O-CA 3.3Å; M881-M889 WeakPolarHBondContact O-CA 3.47Å; M881-V890 PolarHBondContact N-O 3.14Å; M881-V890 PolarHBondContact O-N 3.03Å
882	Y	96.6	Very high	95.4	Very high	26 Å²	26	53.5 Å²	53.5	10%	0.102	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	124.1	176.3	173.6	-108.9	0	0	0	109.7	L864 R867 P868 P884 V888 M889	L864-Y882 HydrophobicContact CB-CE2 4.3Å; L864-Y882 HydrophobicContact CD1-CD2 4.15Å; L864-Y882 HydrophobicContact CD1-CE2 4.1Å; R867-Y882 VanDerWaalsContact CA-CE1 3.49Å; R867-Y882 HydrophobicContact CB-CD1 3.84Å; R867-Y882 HydrophobicContact CB-CE1 3.74Å; R867-Y882 HydrophobicContact CG-CD1 3.83Å; R867-Y882 HydrophobicContact CG-CE1 4.27Å; R867-Y882 HydrophobicContact CG-CG 4.48Å; P868-Y882 HydrophobicContact CG-CD2 4.21Å; P868-Y882 HydrophobicContact CG-CG 4.32Å; Y882-P884 HydrophobicContact CD1-CB 4.43Å; Y882-P884 HydrophobicContact CE1-CB 3.8Å; Y882-P884 WeakPolarHBondContact O-CD 3.22Å; Y882-V888 WeakPolarHBondContact CA-O 3.36Å; Y882-V888 WeakPolarHBondContact CD2-O 3.44Å; Y882-M889 HydrophobicContact CD2-CB 4.35Å
883	D	96.3	Very high	95	Very high	66 Å²	66	56.7 Å²	56.7	35%	0.353	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	110.1	170.7	175.1	10.4	0	0	0	109.5	S885 S886 K887 V888	D883-S885 VanDerWaalsContact CG-OG 3.24Å; D883-S885 PolarHBondContact O-N 3.24Å; D883-S885 WeakPolarHBondContact OD1-CB 3.48Å; D883-S885 PolarHBondContact OD1-N 3.13Å; D883-S885 PolarHBondContact OD1-OG 3.36Å; D883-S885 PolarHBondContact OD2-OG 3.45Å; D883-S885 VanDerWaalsContact OD2-OG 3.07Å; D883-S886 WeakPolarHBondContact CB-OG 3.41Å; D883-S886 WeakPolarHBondContact OD2-CB 3.43Å; D883-S886 PolarHBondContact OD2-N 2.9Å; D883-S886 PolarHBondContact OD2-OG 3.15Å; D883-K887 VanDerWaalsContact O-CA 3.3Å; D883-K887 WeakPolarHBondContact O-CA 3.46Å; D883-K887 PolarHBondContact O-N 2.88Å; D883-V888 PolarHBondContact N-O 3.29Å; D883-V888 PolarHBondContact O-N 2.99Å
884	P	93.1	Very high	94.9	Very high	79 Å²	79	55.9 Å²	55.9	51%	0.513	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-18.9	-180	29.2	-35.4	0	0	0	113.7	Y882	Y882-P884 HydrophobicContact CD1-CB 4.43Å; Y882-P884 HydrophobicContact CE1-CB 3.8Å; Y882-P884 WeakPolarHBondContact O-CD 3.22Å
885	S	93	Very high	94.7	Very high	103 Å²	103	58.4 Å²	58.4	72%	0.72	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.7	-47.2	-179	70.6	0	0	0	0	112	D883	D883-S885 VanDerWaalsContact CG-OG 3.24Å; D883-S885 PolarHBondContact O-N 3.24Å; D883-S885 WeakPolarHBondContact OD1-CB 3.48Å; D883-S885 PolarHBondContact OD1-N 3.13Å; D883-S885 PolarHBondContact OD1-OG 3.36Å; D883-S885 PolarHBondContact OD2-OG 3.45Å; D883-S885 VanDerWaalsContact OD2-OG 3.07Å
886	S	94.2	Very high	94.7	Very high	19 Å²	19	56.2 Å²	56.2	13%	0.133	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.7	-13	175.2	59.9	0	0	0	0	113.7	D883 V888	D883-S886 WeakPolarHBondContact CB-OG 3.41Å; D883-S886 WeakPolarHBondContact OD2-CB 3.43Å; D883-S886 PolarHBondContact OD2-N 2.9Å; D883-S886 PolarHBondContact OD2-OG 3.15Å; S886-V888 VanDerWaalsContact C-N 3.29Å; S886-V888 PolarHBondContact O-N 3.13Å; S886-V888 WeakPolarHBondContact OG-CG2 2.87Å
887	K	95.8	Very high	94.7	Very high	92 Å²	92	61.3 Å²	61.3	40%	0.4	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.9	41.4	-173.5	-60.5	177.4	169.8	-165.9	0	112.5	G863 L864 D883	G863-K887 PolarHBondContact N-O 3.36Å; L864-K887 PolarHBondContact N-O 3.22Å; L864-K887 WeakPolarHBondContact O-CB 3.28Å; L864-K887 WeakPolarHBondContact O-CD 3.18Å; D883-K887 VanDerWaalsContact O-CA 3.3Å; D883-K887 WeakPolarHBondContact O-CA 3.46Å; D883-K887 PolarHBondContact O-N 2.88Å
888	V	97.6	Very high	94.6	Very high	9 Å²	9	57.2 Å²	57.2	6%	0.055	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	132.7	-178.6	179.4	0	0	0	0	110	R743 I860 V861 M862 Y882 D883 S886 V890	R743-V888 HydrophobicContact CB-CG2 3.91Å; R743-V888 WeakPolarHBondContact O-CG2 3.3Å; I860-V888 HydrophobicContact CG2-CG1 3.82Å; V861-V888 CarbonylContact O-C 3.5Å; V861-V888 WeakPolarHBondContact O-CA 3.02Å; M862-V888 HydrophobicContact CB-CG2 4.47Å; M862-V888 HydrophobicContact CG-CG2 4.16Å; Y882-V888 WeakPolarHBondContact CA-O 3.36Å; Y882-V888 WeakPolarHBondContact CD2-O 3.44Å; D883-V888 PolarHBondContact N-O 3.29Å; D883-V888 PolarHBondContact O-N 2.99Å; S886-V888 VanDerWaalsContact C-N 3.29Å; S886-V888 PolarHBondContact O-N 3.13Å; S886-V888 WeakPolarHBondContact OG-CG2 2.87Å; V888-V890 HydrophobicContact CG1-CG2 4.29Å
889	M	97.7	Very high	94.4	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	133.7	166.4	179.4	-179.8	57.6	0	0	109.9	I860 V861 L864 P868 V871 N880 M881 Y882 I891 W908	I860-M889 CarbonylContact C-O 3.59Å; I860-M889 WeakPolarHBondContact CA-O 3.49Å; V861-M889 HydrophobicContact CB-CE 4.26Å; V861-M889 HydrophobicContact CG2-CE 3.91Å; V861-M889 PolarHBondContact N-O 2.78Å; V861-M889 PolarHBondContact O-N 3.02Å; L864-M889 HydrophobicContact CD1-CB 3.43Å; L864-M889 VanDerWaalsContact CD1-CB 3.43Å; L864-M889 HydrophobicContact CD1-CE 4.49Å; P868-M889 HydrophobicContact CB-CE 4.5Å; P868-M889 HydrophobicContact CB-SD 3.73Å; P868-M889 HydrophobicContact CG-CB 4.13Å; P868-M889 HydrophobicContact CG-CE 4.47Å; P868-M889 HydrophobicContact CG-CG 3.99Å; P868-M889 HydrophobicContact CG-SD 3.33Å; P868-M889 WeakPolarHBondContact CG-SD 3.25Å; V871-M889 HydrophobicContact CG1-SD 4.18Å; V871-M889 HydrophobicContact CG2-SD 3.69Å; N880-M889 HydrophobicContact CB-CG 4.21Å; N880-M889 HydrophobicContact CB-SD 4.24Å; M881-M889 CarbonylContact O-C 3.6Å; M881-M889 VanDerWaalsContact O-CA 3.3Å; M881-M889 WeakPolarHBondContact O-CA 3.47Å; Y882-M889 HydrophobicContact CD2-CB 4.35Å; M889-I891 HydrophobicContact CE-CD1 3.79Å; M889-I891 HydrophobicContact CE-CG1 4Å; M889-I891 HydrophobicContact CG-CG1 4.2Å; M889-I891 HydrophobicContact SD-CD1 4.36Å; M889-I891 HydrophobicContact SD-CG1 4.07Å; M889-W908 HydrophobicContact CE-CD2 3.84Å; M889-W908 HydrophobicContact CE-CE3 4.09Å; M889-W908 HydrophobicContact CE-CG 4.26Å; M889-W908 HydrophobicContact CE-CH2 4.43Å; M889-W908 HydrophobicContact CE-CZ2 4.23Å; M889-W908 HydrophobicContact CE-CZ3 4.39Å
890	V	97.8	Very high	94.4	Very high	23 Å²	23	55.3 Å²	55.3	14%	0.139	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	121.5	169.2	-177.5	0	0	0	0	108.1	Q858 I859 I860 N880 M881 V888	Q858-V890 HydrophobicContact CG-CG1 3.82Å; I859-V890 WeakPolarHBondContact O-CA 2.92Å; I860-V890 HydrophobicContact CG1-CG2 4.41Å; I860-V890 HydrophobicContact CG2-CG2 4.46Å; N880-V890 CarbonylContact C-O 3.2Å; N880-V890 WeakPolarHBondContact CA-O 3.28Å; M881-V890 PolarHBondContact N-O 3.14Å; M881-V890 PolarHBondContact O-N 3.03Å; V888-V890 HydrophobicContact CG1-CG2 4.29Å
891	I	97.2	Very high	94.3	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	121.9	170.5	-49.3	175.1	0	0	0	106.4	Q858 I859 V871 V878 R879 N880 M889 L894 I906	Q858-I891 CarbonylContact C-O 3.51Å; Q858-I891 WeakPolarHBondContact CA-O 2.84Å; Q858-I891 WeakPolarHBondContact CG-O 3.4Å; I859-I891 HydrophobicContact CB-CB 4.49Å; I859-I891 PolarHBondContact N-O 3.47Å; I859-I891 PolarHBondContact O-N 2.95Å; V871-I891 HydrophobicContact CG1-CD1 3.6Å; V871-I891 HydrophobicContact CG1-CG1 4.01Å; V878-I891 HydrophobicContact CB-CG2 4.21Å; V878-I891 HydrophobicContact CG2-CG2 3.64Å; R879-I891 WeakPolarHBondContact O-CG2 3.47Å; N880-I891 HydrophobicContact CB-CG1 4.28Å; M889-I891 HydrophobicContact CE-CD1 3.79Å; M889-I891 HydrophobicContact CE-CG1 4Å; M889-I891 HydrophobicContact CG-CG1 4.2Å; M889-I891 HydrophobicContact SD-CD1 4.36Å; M889-I891 HydrophobicContact SD-CG1 4.07Å; I891-L894 HydrophobicContact CG2-CD2 3.64Å; I891-L894 HydrophobicContact CG2-CG 4.21Å; I891-I906 HydrophobicContact CD1-CG2 3.71Å
892	D	93.2	Very high	94.2	Very high	22 Å²	22	49.8 Å²	49.8	12%	0.118	26%	0.261	C	S	.	.			trans	-118.4	165.7	-176.8	66.9	-12.3	0	0	0	112	D857 R879 L894	D857-D892 CarbonylContact O-C 3.46Å; R879-D892 VanDerWaalsContact CB-OD1 3.27Å; R879-D892 WeakPolarHBondContact CB-OD1 3.32Å; R879-D892 WeakPolarHBondContact CD-OD1 3.33Å; R879-D892 WeakPolarHBondContact CG-OD1 3.35Å; R879-D892 IonicContact CZ-OD2 3.24Å; R879-D892 IonicContact NE-OD1 3.32Å; R879-D892 IonicContact NE-OD2 3.59Å; R879-D892 IonicContact NH1-OD2 3.72Å; R879-D892 PolarHBondContact NH1-OD2 2.96Å; R879-D892 PolarHBondContact O-N 2.89Å; D892-L894 PolarHBondContact O-N 3.49Å
893	N	89.6	Confident	94.1	Very high	116 Å²	116	53.7 Å²	53.7	62%	0.62	28%	0.284	S	S	*	.			trans	56.1	41.2	180	-56.6	-41	0	0	0	114.3	D857	D857-N893 PolarHBondContact O-N 3.21Å
894	L	91.9	Very high	93.9	Very high	10 Å²	10	51.6 Å²	51.6	5%	0.052	28%	0.275	C	S	.	.			trans	-66.2	-36.9	180	-71.3	169.8	0	0	0	113.7	F856 D857 I859 L873 I891 D892 V896 I906	F856-L894 WeakPolarHBondContact O-CB 3.33Å; D857-L894 PolarHBondContact O-N 3.09Å; I859-L894 HydrophobicContact CB-CD1 4.14Å; I859-L894 HydrophobicContact CD1-CD1 3.45Å; I859-L894 VanDerWaalsContact CD1-CD1 3.45Å; I859-L894 HydrophobicContact CG1-CD1 3.51Å; L873-L894 HydrophobicContact CD1-CD2 4.47Å; L873-L894 HydrophobicContact CD2-CD2 3.99Å; I891-L894 HydrophobicContact CG2-CD2 3.64Å; I891-L894 HydrophobicContact CG2-CG 4.21Å; D892-L894 PolarHBondContact O-N 3.49Å; L894-V896 HydrophobicContact CB-CG2 4.18Å; L894-V896 PolarHBondContact O-N 3.21Å; L894-I906 HydrophobicContact CD1-CD1 4.29Å; L894-I906 HydrophobicContact CD2-CD1 3.93Å
895	D	90.6	Very high	94	Very high	124 Å²	124	50.8 Å²	50.8	66%	0.663	26%	0.264	S	S	*	.			trans	48.1	40.2	-176.2	-164.2	27.2	0	0	0	113.9	F856	F856-D895 PolarHBondContact O-N 2.9Å
896	V	94	Very high	94.1	Very high	11 Å²	11	46.2 Å²	46.2	7%	0.067	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	111.8	-179.5	174.8	0	0	0	0	109.5	F855 F856 L873 L894 C898 S904	F855-V896 CarbonylContact C-O 3.58Å; F855-V896 WeakPolarHBondContact CA-O 3.07Å; F856-V896 HydrophobicContact CB-CB 4.37Å; F856-V896 PolarHBondContact N-O 2.92Å; F856-V896 PolarHBondContact O-N 3.41Å; F856-V896 VanDerWaalsContact O-N 3.09Å; L873-V896 HydrophobicContact CD1-CG2 3.97Å; L873-V896 HydrophobicContact CD2-CG2 3.82Å; L894-V896 HydrophobicContact CB-CG2 4.18Å; L894-V896 PolarHBondContact O-N 3.21Å; V896-C898 PolarHBondContact O-N 3.44Å; V896-S904 WeakPolarHBondContact CG1-OG 3.19Å
897	R	94	Very high	94.3	Very high	166 Å²	166	46.8 Å²	46.8	63%	0.626	23%	0.232	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-58.3	137.9	174.3	-64.1	-172.9	178.3	-164.8	-0.2	111.4	C854 N899 K900 L901	C854-R897 CarbonylContact O-C 3.51Å; C854-R897 WeakPolarHBondContact O-CA 3.41Å; R897-N899 VanDerWaalsContact C-N 3.31Å; R897-N899 VanDerWaalsContact CB-OD1 3.31Å; R897-N899 WeakPolarHBondContact CB-OD1 3.09Å; R897-N899 PolarHBondContact O-N 3.31Å; R897-K900 HydrophobicContact CB-CB 4.22Å; R897-K900 HydrophobicContact CB-CG 4.22Å; R897-K900 CarbonylContact O-C 3.46Å; R897-K900 WeakPolarHBondContact O-CA 3.34Å; R897-K900 WeakPolarHBondContact O-CB 3.14Å; R897-K900 PolarHBondContact O-N 2.9Å; R897-L901 PolarHBondContact O-N 3.01Å
898	C	93.2	Very high	94.3	Very high	4 Å²	4	42.5 Å²	42.5	3%	0.027	21%	0.213	C	C	.	.	G	3₁₀ helix	trans	-60.3	-37.7	-175.3	-60.4	0	0	0	0	112.8	L808 F824 C854 F855 F856 V896 K900 L901	L808-C898 HydrophobicContact CD1-CB 3.8Å; F824-C898 WeakPolarHBondContact CZ-O 3.36Å; C854-C898 HydrophobicContact CB-CB 3.66Å; C854-C898 WeakPolarHBondContact CB-SG 3.34Å; C854-C898 PolarHBondContact O-N 3.29Å; C854-C898 PolarHBondContact O-SG 3.25Å; C854-C898 VanDerWaalsContact O-SG 3.37Å; C854-C898 WeakPolarHBondContact SG-CB 3.31Å; C854-C898 CovalentContact SG-SG 2.05Å; C854-C898 PolarHBondContact SG-SG 2.64Å; F855-C898 PolarHBondContact N-SG 2.96Å; F855-C898 VanDerWaalsContact N-SG 3.35Å; F856-C898 HydrophobicContact CE2-CB 4.14Å; V896-C898 PolarHBondContact O-N 3.44Å; C898-K900 PolarHBondContact O-N 3.15Å; C898-L901 VanDerWaalsContact O-CB 3.23Å; C898-L901 WeakPolarHBondContact O-CB 3.17Å; C898-L901 PolarHBondContact O-N 3.06Å
899	N	91.4	Very high	94.2	Very high	33 Å²	33	46.6 Å²	46.6	18%	0.176	23%	0.228	C	C	.	.	G	3₁₀ helix	trans	-71.5	-9.1	174.7	68.5	-21	0	0	0	114.2	N848 N851 R897	N848-N899 PolarHBondContact ND2-O 2.95Å; N851-N899 PolarHBondContact OD1-ND2 2.02Å; R897-N899 VanDerWaalsContact C-N 3.31Å; R897-N899 VanDerWaalsContact CB-OD1 3.31Å; R897-N899 WeakPolarHBondContact CB-OD1 3.09Å; R897-N899 PolarHBondContact O-N 3.31Å
900	K	93.1	Very high	94	Very high	105 Å²	105	47 Å²	47	46%	0.457	23%	0.23	S	C	.	.	G	3₁₀ helix	trans	-107.5	7.3	175.2	-65	-63.1	-177.7	-174.4	0	112.9	R897 C898 A902 D903 S904	R897-K900 HydrophobicContact CB-CB 4.22Å; R897-K900 HydrophobicContact CB-CG 4.22Å; R897-K900 CarbonylContact O-C 3.46Å; R897-K900 WeakPolarHBondContact O-CA 3.34Å; R897-K900 WeakPolarHBondContact O-CB 3.14Å; R897-K900 PolarHBondContact O-N 2.9Å; C898-K900 PolarHBondContact O-N 3.15Å; K900-A902 VanDerWaalsContact C-N 3.26Å; K900-A902 PolarHBondContact O-N 3.08Å; K900-D903 WeakPolarHBondContact CD-OD2 3.3Å; K900-D903 IonicContact NZ-OD2 3.96Å; K900-D903 PolarHBondContact NZ-OD2 3.19Å; K900-D903 WeakPolarHBondContact O-CB 3.46Å; K900-D903 PolarHBondContact O-N 3.24Å; K900-S904 PolarHBondContact O-N 3.21Å
901	L	93.2	Very high	93.6	Very high	15 Å²	15	47.8 Å²	47.8	8%	0.079	24%	0.236	C	C	.	.	G	3₁₀ helix	trans	-57.2	-38.2	-178.7	-175.3	64.3	0	0	0	112.7	L806 F824 V826 A843 F856 R897 C898 D903 S904	L806-L901 HydrophobicContact CD2-CD2 4.36Å; F824-L901 HydrophobicContact CB-CD2 4.33Å; F824-L901 HydrophobicContact CD1-CB 4.43Å; F824-L901 HydrophobicContact CD1-CD2 4.42Å; F824-L901 HydrophobicContact CD2-CD2 4.3Å; F824-L901 HydrophobicContact CE1-CB 4.24Å; F824-L901 HydrophobicContact CG-CD2 4.1Å; F824-L901 HydrophobicContact CZ-CB 4.44Å; V826-L901 HydrophobicContact CG2-CD2 4.34Å; A843-L901 HydrophobicContact CB-CD2 4.03Å; A843-L901 HydrophobicContact CB-CG 3.66Å; F856-L901 HydrophobicContact CD2-CD1 3.93Å; F856-L901 HydrophobicContact CE2-CD1 3.91Å; F856-L901 HydrophobicContact CE2-CD2 3.86Å; F856-L901 HydrophobicContact CE2-CG 4.3Å; F856-L901 HydrophobicContact CZ-CD2 4.11Å; R897-L901 PolarHBondContact O-N 3.01Å; C898-L901 VanDerWaalsContact O-CB 3.23Å; C898-L901 WeakPolarHBondContact O-CB 3.17Å; C898-L901 PolarHBondContact O-N 3.06Å; L901-D903 VanDerWaalsContact C-N 3.3Å; L901-D903 PolarHBondContact O-N 3.2Å; L901-S904 PolarHBondContact O-N 2.93Å
902	A	94.3	Very high	92.4	Very high	23 Å²	23	52.2 Å²	52.2	19%	0.19	27%	0.267	C	S	.	.	G	3₁₀ helix	trans	-73.8	-17.6	178	0	0	0	0	0	114.4	F824 A845 K900 S904	F824-A902 HydrophobicContact CD1-CB 4.35Å; F824-A902 HydrophobicContact CE1-CB 4.2Å; A845-A902 HydrophobicContact CB-CB 3.93Å; K900-A902 VanDerWaalsContact C-N 3.26Å; K900-A902 PolarHBondContact O-N 3.08Å; A902-S904 VanDerWaalsContact C-N 3.33Å
903	D	94	Very high	91	Very high	107 Å²	107	54.7 Å²	54.7	57%	0.572	30%	0.298	S	S	*	.	G	3₁₀ helix	trans	-85.2	-12.7	175.8	-61.4	-18.2	0	0	0	111.2	K900 L901	K900-D903 WeakPolarHBondContact CD-OD2 3.3Å; K900-D903 IonicContact NZ-OD2 3.96Å; K900-D903 PolarHBondContact NZ-OD2 3.19Å; K900-D903 WeakPolarHBondContact O-CB 3.46Å; K900-D903 PolarHBondContact O-N 3.24Å; L901-D903 VanDerWaalsContact C-N 3.3Å; L901-D903 PolarHBondContact O-N 3.2Å
904	S	92.2	Very high	88.9	Confident	23 Å²	23	53.2 Å²	53.2	16%	0.161	30%	0.302	C	S	.	.			trans	-97.7	142.7	-178.5	-66.1	0	0	0	0	112	V896 K900 L901 A902	V896-S904 WeakPolarHBondContact CG1-OG 3.19Å; K900-S904 PolarHBondContact O-N 3.21Å; L901-S904 PolarHBondContact O-N 2.93Å; A902-S904 VanDerWaalsContact C-N 3.33Å
905	Q	95.2	Very high	86.2	Confident	61 Å²	61	67.9 Å²	67.9	29%	0.285	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	134	172.6	-174.6	-177.3	-1.1	0	0	109.1	S840 L873 S874 E907	S840-Q905 PolarHBondContact OG-NE2 3.46Å; L873-Q905 CarbonylContact C-O 3.54Å; S874-Q905 PolarHBondContact N-O 3.36Å; S874-Q905 PolarHBondContact OG-N 2.87Å; Q905-E907 HydrophobicContact CG-CG 3.87Å; Q905-E907 PolarHBondContact NE2-OE1 3.39Å; Q905-E907 VanDerWaalsContact NE2-OE1 3.15Å
906	I	96.7	Very high	86	Confident	8 Å²	8	65.1 Å²	65.1	4%	0.041	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	129.6	175.4	-65.5	170.3	0	0	0	109.1	S840 L841 I859 L872 L873 I891 L894 W908	S840-I906 CarbonylContact C-O 3.58Å; S840-I906 WeakPolarHBondContact CA-O 3.33Å; L841-I906 HydrophobicContact CB-CB 4.28Å; L841-I906 HydrophobicContact CD2-CB 4.4Å; L841-I906 HydrophobicContact CD2-CD1 4.26Å; L841-I906 PolarHBondContact N-O 2.99Å; L841-I906 PolarHBondContact O-N 3.13Å; I859-I906 HydrophobicContact CD1-CD1 3.1Å; I859-I906 HydrophobicContact CG1-CD1 4.49Å; L872-I906 CarbonylContact O-C 3.56Å; L872-I906 VanDerWaalsContact O-CA 3.28Å; L872-I906 WeakPolarHBondContact O-CA 3.46Å; L873-I906 HydrophobicContact CB-CG1 4.42Å; L873-I906 HydrophobicContact CD1-CD1 3.99Å; L873-I906 HydrophobicContact CD1-CG1 3.51Å; I891-I906 HydrophobicContact CD1-CG2 3.71Å; L894-I906 HydrophobicContact CD1-CD1 4.29Å; L894-I906 HydrophobicContact CD2-CD1 3.93Å; I906-W908 HydrophobicContact CG2-CE3 4.07Å; I906-W908 HydrophobicContact CG2-CZ3 4Å
907	E	97.1	Very high	85.6	Confident	30 Å²	30	67.9 Å²	67.9	14%	0.14	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	146.9	-176.2	-54.2	-164.7	92.9	0	0	111.1	R838 F839 V871 L872 Q905	R838-E907 IonicContact CZ-OE1 3.11Å; R838-E907 IonicContact CZ-OE2 3.64Å; R838-E907 IonicContact NE-OE1 2.86Å; R838-E907 PolarHBondContact NE-OE1 2.84Å; R838-E907 IonicContact NH2-OE1 2.66Å; R838-E907 PolarHBondContact NH2-OE1 2.93Å; R838-E907 IonicContact NH2-OE2 3.02Å; R838-E907 PolarHBondContact NH2-OE2 3.29Å; F839-E907 VanDerWaalsContact O-CA 3.26Å; F839-E907 WeakPolarHBondContact O-CA 3.16Å; V871-E907 CarbonylContact C-O 3.56Å; V871-E907 WeakPolarHBondContact CA-O 3.14Å; L872-E907 PolarHBondContact N-O 2.8Å; L872-E907 PolarHBondContact O-N 3.32Å; Q905-E907 HydrophobicContact CG-CG 3.87Å; Q905-E907 PolarHBondContact NE2-OE1 3.39Å; Q905-E907 VanDerWaalsContact NE2-OE1 3.15Å
908	W	96.6	Very high	85.1	Confident	2 Å²	2	62.4 Å²	62.4	1%	0.008	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	170.4	169	64.6	96.5	0	0	0	109.8	L828 F839 L841 V861 L864 P868 N870 V871 M889 I906	L828-W908 HydrophobicContact CD1-CH2 3.48Å; L828-W908 VanDerWaalsContact CD1-CH2 3.48Å; L828-W908 HydrophobicContact CD1-CZ2 3.94Å; L828-W908 HydrophobicContact CG-CH2 4.32Å; F839-W908 HydrophobicContact CB-CD2 3.59Å; F839-W908 HydrophobicContact CB-CE3 4.07Å; F839-W908 HydrophobicContact CB-CG 4.1Å; F839-W908 HydrophobicContact CB-CH2 3.96Å; F839-W908 HydrophobicContact CB-CZ2 3.43Å; F839-W908 VanDerWaalsContact CB-CZ2 3.43Å; F839-W908 HydrophobicContact CB-CZ3 4.24Å; F839-W908 AromaticContact CD1-CZ2 3.91Å; F839-W908 HydrophobicContact CD1-CZ2 3.91Å; F839-W908 AromaticContact CD2-CD1 3.69Å; F839-W908 AromaticContact CD2-CE2 3.9Å; F839-W908 HydrophobicContact CD2-CZ2 4.46Å; F839-W908 AromaticContact CD2-NE1 3.23Å; F839-W908 AromaticContact CE2-NE1 3.95Å; F839-W908 HydrophobicContact CG-CD2 4.3Å; F839-W908 AromaticContact CG-CE2 3.51Å; F839-W908 AromaticContact CG-CZ2 3.7Å; F839-W908 HydrophobicContact CG-CZ2 3.7Å; F839-W908 AromaticContact CG-NE1 3.36Å; F839-W908 PolarHBondContact N-O 3.11Å; F839-W908 PolarHBondContact O-N 3.22Å; F839-W908 VanDerWaalsContact O-N 3.14Å; L841-W908 HydrophobicContact CB-CZ3 4.46Å; V861-W908 HydrophobicContact CG1-CH2 4.32Å; V861-W908 HydrophobicContact CG1-CZ2 3.98Å; V861-W908 HydrophobicContact CG2-CH2 4.01Å; V861-W908 HydrophobicContact CG2-CZ2 4.32Å; L864-W908 HydrophobicContact CD2-CZ2 4.21Å; P868-W908 HydrophobicContact CB-CB 4.34Å; P868-W908 HydrophobicContact CB-CG 4.12Å; N870-W908 WeakPolarHBondContact O-CA 3.36Å; V871-W908 HydrophobicContact CB-CB 4.36Å; V871-W908 HydrophobicContact CG2-CB 3.9Å; M889-W908 HydrophobicContact CE-CD2 3.84Å; M889-W908 HydrophobicContact CE-CE3 4.09Å; M889-W908 HydrophobicContact CE-CG 4.26Å; M889-W908 HydrophobicContact CE-CH2 4.43Å; M889-W908 HydrophobicContact CE-CZ2 4.23Å; M889-W908 HydrophobicContact CE-CZ3 4.39Å; I906-W908 HydrophobicContact CG2-CE3 4.07Å; I906-W908 HydrophobicContact CG2-CZ3 4Å
909	R	95.1	Very high	84.6	Confident	96 Å²	96	65.9 Å²	65.9	36%	0.362	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	149.5	174.3	-62.6	-176.8	-174.9	175.8	0.4	110.5	C836 V837 R838 P868 A869	C836-R909 HydrophobicContact CB-CB 4.46Å; V837-R909 CarbonylContact O-C 3.48Å; V837-R909 VanDerWaalsContact O-CA 3.28Å; V837-R909 WeakPolarHBondContact O-CA 3.12Å; R838-R909 HydrophobicContact CB-CG 4.29Å; R838-R909 HydrophobicContact CG-CG 4.37Å; P868-R909 CarbonylContact C-O 3.51Å; P868-R909 WeakPolarHBondContact CA-O 3.07Å; A869-R909 PolarHBondContact N-O 3.09Å; A869-R909 PolarHBondContact O-N 2.7Å
910	V	93.6	Very high	84.2	Confident	9 Å²	9	67.9 Å²	67.9	6%	0.055	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	116.2	167.8	-177.1	0	0	0	0	107	C836 V837 F839 P865 D866	C836-V910 CarbonylContact C-O 3.5Å; C836-V910 VanDerWaalsContact CA-O 3.26Å; C836-V910 WeakPolarHBondContact CA-O 3.27Å; V837-V910 PolarHBondContact N-O 3.44Å; V837-V910 PolarHBondContact O-N 2.92Å; F839-V910 HydrophobicContact CD2-CG2 4.14Å; F839-V910 HydrophobicContact CE2-CB 4.13Å; F839-V910 HydrophobicContact CE2-CG2 3.65Å; P865-V910 HydrophobicContact CG-CB 4.38Å; P865-V910 HydrophobicContact CG-CG1 4.09Å; P865-V910 HydrophobicContact CG-CG2 4.46Å; D866-V910 HydrophobicContact CB-CG1 3.52Å
911	C	89.3	Confident	83.6	Confident	39 Å²	39	65.5 Å²	65.5	26%	0.264	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	128.7	-176.2	-56.8	0	0	0	0	109.6	C836 G913	C836-C911 HydrophobicContact CB-CB 3.97Å; C836-C911 WeakPolarHBondContact CB-SG 3.34Å; C836-C911 WeakPolarHBondContact SG-CB 3.31Å; C836-C911 CovalentContact SG-SG 2.03Å; C836-C911 PolarHBondContact SG-SG 2.68Å; C911-G913 PolarHBondContact O-N 2.98Å
912	S	72.7	Confident	82.9	Confident	93 Å²	93	69.1 Å²	69.1	65%	0.65	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.5	114.5	173.5	50.1	0	0	0	0	109.4	E835	E835-S912 PolarHBondContact O-N 3.47Å; E835-S912 PolarHBondContact O-OG 2.9Å
913	G	63.3	Low	82	Confident	74 Å²	74	72.6 Å²	72.6	76%	0.763	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	109.3	6.4	173.4	0	0	0	0	0	117.1	C911 R915	C911-G913 PolarHBondContact O-N 2.98Å; G913-R915 PolarHBondContact O-N 3.5Å
914	A	46.1	Very low	81	Confident	84 Å²	84	69.8 Å²	69.8	69%	0.694	39%	0.385	S	S	*	.			trans	-78.1	82.3	169.4	0	0	0	0	0	110.8
915	R	34.7	Very low	80	Confident	318 Å²	318	74 Å²	74	100%	1.2	41%	0.406	S	S	*	.			trans	-108.5	0	162.6	-92	-169.3	-179.5	-174.5	1.2	111	G913	G913-R915 PolarHBondContact O-N 3.5Å

Retrieved 915 of 915 residues in 1921.1 ms (Link to these results)

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