A0A087X0M6_HUMAN Loading...

Zinc finger protein 850

May be involved in transcriptional regulation.

AlphaFold DB , UniProt , Accession A0A087X0M6, Species HUMAN (Homo sapiens, Human), Gene ZNF850, Length 1,058 aa.

						>A0A087X0M6_HUMAN|A0A087X0M6|ZNF850
MNMEGLVMFQDLSIDFSQEEWECLDAAQKDLYRDVMMENYSSLVSLDSEFRCKTKDSCLPKEIYEVTSSQWVRMEKCHSLVGSSVRDDWECKGQFQHQDINQERYLEKAIMTYETTPTFCLQTSLTLHHRIHPGEKLYKSTECMAFKYGSELTQQQETHTGEKLYKCKECGKAFHHFSYLVKHQRIHTGEKPCACKEYGKAFISGSHLIQHQKMYTDERPHECQESVKAFRPSAHLIQHWRIHTGDKPYECKECGKSFTSGSTLNQHQQIHTGEKPYHCKQCGKSFTVGSTLIRHQQIHTGEKPYDCKECGKSFASGSALIRHQRIHTGEKPYDCKECGKSFTFHSALIRHQRIHTGEKPYDCKECGKSFTFRSGLIGHQAIHTGEKPYDCKECGKSFTAGSTLIQHQRIHTGEKPYDCKECGKSFASGSALLQHQRIHTGEKPYCCKECGKSFTFRSTRNRHQRIHTGEKPYNCKECGKSFASGSALLQHQRIHTGEKPYHCKECGKSFTFRSGLIGHQAVHTGEKPYDCKECGKSFTSRSALIQHQRIHTGEKPYHCKECGKSFTVGSTLLQHQQIHTGEKPYDCKECGKAFRLRLRLTQHQQIHTGEKPYQCQECGKAFVSVSGLTQHHRIHTGEKPYECPDCGKAFRQRTYLNQHRRIHTGEKPYECKECGKSFTFCSGLIQHQQNHTDEKPYDGKECGKSFTSHSTLIQHQQIHTGEKPYDCKECGKSFTSHSTLIQHQQIHTGEKLYDCKECGKSFTSHSTLIQHQPLHTGEKPYHCKECGKSFTLRSALIQHRPVHTGEKRYSCKECGKSFTSRSTLIEHQRIHTGEKPYHCKECGKSFAFRSAIIQHRRIHTGEKPYDCKECGKAFRRRSKLTQHQRIHTGEKPYRCHECGKAFVRFSGLTKHHSIHTGEKPYECKTCGKSFRQRTHLTLHQRIHTGDRPYECKECGKSFTCGSELIRHQRTHTGEKPYDCKECGKAFRCPSQLSQHKRIHTGEKTYQCPECGKAFFYASGLSRHQSVHTGEKPYECKTCGKAFKQLTQLTRHQRIHDLT
					

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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	34	Very low	46.9	Very low	240 Å²	240	138.4 Å²	138.4	100%	1.182	73%	0.729	S	S	*	*				0	130.4	0	-82.9	179.6	159.4	0	0	106.7
2	N	28.3	Very low	48.2	Very low	141 Å²	141	133 Å²	133	75%	0.754	70%	0.7	S	S	*	*			trans	-85.8	157.2	-154.6	-60.8	10.9	0	0	0	112.9
3	M	42	Very low	49.4	Very low	192 Å²	192	124.5 Å²	124.5	95%	0.946	66%	0.659	S	S	*	*			trans	-101.6	113.8	160.7	-66.6	-177.3	-176.4	0	0	108.6
4	E	36.8	Very low	50.5	Low	180 Å²	180	123.6 Å²	123.6	84%	0.841	65%	0.653	S	S	*	*			trans	-148.7	127.8	167.3	-66.9	175.2	178.7	0	0	106
5	G	41.3	Very low	51.4	Low	73 Å²	73	123.6 Å²	123.6	75%	0.753	65%	0.653	S	S	*	*			cis	-149.6	166.3	-15.1	0	0	0	0	0	109.1
6	L	47.1	Very low	52.7	Low	162 Å²	162	120.9 Å²	120.9	85%	0.848	64%	0.635	S	S	*	*	P	Polyproline II helix	trans	-86.2	127.9	176.8	-75	167.1	0	0	0	110.2
7	V	52.7	Low	53.5	Low	87 Å²	87	116.5 Å²	116.5	53%	0.527	62%	0.616	S	S	.	*	P	Polyproline II helix	trans	-83.6	122.9	172	-179	0	0	0	0	108.5	D11 L12	V7-D11 WeakPolarHBondContact CA-OD2 3.4Å; V7-D11 HydrophobicContact CG1-CB 3.91Å; V7-L12 HydrophobicContact CG1-CD1 4.19Å; V7-L12 HydrophobicContact CG1-CG 4.16Å
8	M	58.7	Low	53.2	Low	112 Å²	112	116.8 Å²	116.8	55%	0.552	61%	0.614	S	S	*	*	P	Polyproline II helix	trans	-98.6	165.9	179.7	-63.1	-61.9	-70	0	0	110.8	Q10 D11	M8-Q10 PolarHBondContact O-N 3.27Å; M8-D11 PolarHBondContact N-OD2 3Å; M8-D11 WeakPolarHBondContact O-CB 3.42Å; M8-D11 PolarHBondContact O-N 3.44Å
9	F	55.9	Low	53.3	Low	73 Å²	73	117.6 Å²	117.6	32%	0.32	61%	0.614	S	S	.	*	G	3₁₀ helix	trans	-61.6	-30.3	178.7	-176.4	-116	0	0	0	113.1	D11 L12 S13 N39 Y40 L43	F9-D11 PolarHBondContact O-N 3.31Å; F9-L12 CarbonylContact O-C 3.11Å; F9-L12 PolarHBondContact O-N 2.98Å; F9-S13 PolarHBondContact O-N 3.38Å; F9-N39 HydrophobicContact CE2-CB 4.24Å; F9-Y40 HydrophobicContact CD1-CD2 4.49Å; F9-Y40 HydrophobicContact CD2-CD2 4.07Å; F9-Y40 HydrophobicContact CE2-CD2 4.17Å; F9-Y40 HydrophobicContact CE2-CG 4.42Å; F9-Y40 HydrophobicContact CG-CD2 4.25Å; F9-Y40 HydrophobicContact CZ-CD2 4.41Å; F9-L43 VanDerWaalsContact CA-CD1 3.4Å; F9-L43 HydrophobicContact CB-CD1 3.93Å; F9-L43 HydrophobicContact CD2-CD1 4.01Å; F9-L43 HydrophobicContact CG-CD1 4.49Å
10	Q	54.6	Low	53.7	Low	157 Å²	157	117.2 Å²	117.2	73%	0.734	61%	0.608	S	S	*	*	G	3₁₀ helix	trans	-69.7	-16	175.7	-67.2	169.9	-71.5	0	0	113.7	M8 L12	M8-Q10 PolarHBondContact O-N 3.27Å; Q10-L12 VanDerWaalsContact C-N 3.28Å
11	D	64.6	Low	54.6	Low	105 Å²	105	114.6 Å²	114.6	56%	0.561	59%	0.591	S	S	*	*	G	3₁₀ helix	trans	-81.9	-10.2	171.8	-56.2	-47.2	0	0	0	112.2	V7 M8 F9	V7-D11 WeakPolarHBondContact CA-OD2 3.4Å; V7-D11 HydrophobicContact CG1-CB 3.91Å; M8-D11 PolarHBondContact N-OD2 3Å; M8-D11 WeakPolarHBondContact O-CB 3.42Å; M8-D11 PolarHBondContact O-N 3.44Å; F9-D11 PolarHBondContact O-N 3.31Å
12	L	63	Low	55.8	Low	74 Å²	74	109.2 Å²	109.2	39%	0.387	56%	0.563	S	S	.	*	T	Hydrogen-bonded Turn	trans	-126.7	3.2	-177.2	-61.8	179.8	0	0	0	113.3	V7 F9 Q10 N39 L43	V7-L12 HydrophobicContact CG1-CD1 4.19Å; V7-L12 HydrophobicContact CG1-CG 4.16Å; F9-L12 CarbonylContact O-C 3.11Å; F9-L12 PolarHBondContact O-N 2.98Å; Q10-L12 VanDerWaalsContact C-N 3.28Å; L12-N39 PolarHBondContact O-ND2 3.29Å; L12-L43 HydrophobicContact CD1-CD1 3.88Å; L12-L43 HydrophobicContact CD1-CG 4.2Å
13	S	63.3	Low	57.6	Low	23 Å²	23	107.8 Å²	107.8	16%	0.161	56%	0.563	C	S	.	*			trans	-84.5	160.5	164.9	64.6	0	0	0	0	111	F9 D15	F9-S13 PolarHBondContact O-N 3.38Å; S13-D15 PolarHBondContact OG-OD1 3.42Å
14	I	64.9	Low	58.8	Low	111 Å²	111	100.3 Å²	100.3	57%	0.569	53%	0.526	S	S	*	.			trans	-130.6	84.1	176	-58.4	176.5	0	0	0	106.6	F16 Y32 M36	I14-F16 PolarHBondContact O-N 3.01Å; I14-Y32 HydrophobicContact CB-CE2 4.46Å; I14-Y32 WeakPolarHBondContact O-CE2 3.39Å; I14-Y32 PolarHBondContact O-OH 2.96Å; I14-M36 HydrophobicContact CB-CE 4.02Å; I14-M36 HydrophobicContact CD1-CE 4.44Å; I14-M36 HydrophobicContact CG1-CE 4.05Å
15	D	64.1	Low	60.3	Low	124 Å²	124	95.4 Å²	95.4	66%	0.663	51%	0.506	S	S	*	.	P	Polyproline II helix	trans	-74.1	122.7	-173.3	-55.3	-32	0	0	0	110.2	S13	S13-D15 PolarHBondContact OG-OD1 3.42Å
16	F	71.9	Confident	61	Low	81 Å²	81	95.4 Å²	95.4	36%	0.355	50%	0.498	S	S	.	.	P	Polyproline II helix	trans	-85.8	149.4	173.9	-74.6	-72.9	0	0	0	111.1	I14 E20 W21 L24 Y32	I14-F16 PolarHBondContact O-N 3.01Å; F16-E20 HydrophobicContact CB-CB 4.31Å; F16-E20 HydrophobicContact CD1-CB 4.05Å; F16-W21 HydrophobicContact CB-CB 4.23Å; F16-W21 HydrophobicContact CB-CE3 4.32Å; F16-W21 AromaticContact CD2-CE3 3.77Å; F16-W21 HydrophobicContact CD2-CE3 3.77Å; F16-W21 HydrophobicContact CD2-CZ3 4.06Å; F16-W21 HydrophobicContact CE2-CE3 4.49Å; F16-W21 HydrophobicContact CE2-CZ3 4.46Å; F16-W21 HydrophobicContact CG-CE3 4.32Å; F16-L24 HydrophobicContact CD2-CD1 3.97Å; F16-L24 HydrophobicContact CE1-CD1 4.29Å; F16-L24 HydrophobicContact CE2-CD1 3.71Å; F16-L24 HydrophobicContact CG-CD1 4.36Å; F16-L24 HydrophobicContact CZ-CD1 3.88Å; F16-Y32 HydrophobicContact CD2-CD2 4.04Å; F16-Y32 AromaticContact CD2-CE2 3.92Å; F16-Y32 HydrophobicContact CD2-CE2 3.92Å; F16-Y32 AromaticContact CE2-CD2 3.55Å; F16-Y32 HydrophobicContact CE2-CD2 3.55Å; F16-Y32 AromaticContact CE2-CE2 3.79Å; F16-Y32 HydrophobicContact CE2-CE2 3.79Å; F16-Y32 HydrophobicContact CE2-CG 4.19Å
17	S	66	Low	61.5	Low	45 Å²	45	91.1 Å²	91.1	32%	0.315	49%	0.486	S	S	.	.	P	Polyproline II helix	trans	-65.1	163.4	165.1	100.8	0	0	0	0	111.2	E19 E20 W21	S17-E19 VanDerWaalsContact C-N 3.31Å; S17-E19 WeakPolarHBondContact CB-OE2 3.26Å; S17-E19 PolarHBondContact O-N 3.37Å; S17-E19 PolarHBondContact OG-N 3.22Å; S17-E19 PolarHBondContact OG-OE2 2.95Å; S17-E20 PolarHBondContact N-OE2 2.98Å; S17-E20 PolarHBondContact O-N 2.98Å; S17-E20 WeakPolarHBondContact OG-CG 3.35Å; S17-E20 PolarHBondContact OG-N 2.86Å; S17-W21 VanDerWaalsContact O-CB 3.22Å; S17-W21 WeakPolarHBondContact O-CB 3.39Å; S17-W21 PolarHBondContact O-N 2.79Å
18	Q	48.8	Very low	62.1	Low	123 Å²	123	91 Å²	91	58%	0.575	48%	0.48	S	S	*	.	H	α-helix	trans	-61.7	-40.9	176	-177	65.3	27.4	0	0	111.2	W21 E22	Q18-W21 PolarHBondContact O-N 3.29Å; Q18-E22 PolarHBondContact NE2-OE1 2.9Å; Q18-E22 WeakPolarHBondContact O-CB 3.3Å; Q18-E22 WeakPolarHBondContact O-CG 3.4Å; Q18-E22 PolarHBondContact O-N 3.03Å
19	E	55.5	Low	62.7	Low	132 Å²	132	87.7 Å²	87.7	62%	0.617	46%	0.463	S	S	*	.	H	α-helix	trans	-68.8	-41.3	177.8	-49.9	90.4	157.1	0	0	112.3	S17 E22 C23	S17-E19 VanDerWaalsContact C-N 3.31Å; S17-E19 WeakPolarHBondContact CB-OE2 3.26Å; S17-E19 PolarHBondContact O-N 3.37Å; S17-E19 PolarHBondContact OG-N 3.22Å; S17-E19 PolarHBondContact OG-OE2 2.95Å; E19-E22 PolarHBondContact O-N 3.31Å; E19-C23 PolarHBondContact O-N 2.99Å; E19-C23 VanDerWaalsContact O-N 3.09Å; E19-C23 PolarHBondContact O-SG 3.04Å
20	E	61.3	Low	63.1	Low	109 Å²	109	87.9 Å²	87.9	51%	0.509	47%	0.467	S	S	.	.	H	α-helix	trans	-63.6	-45.3	174	-70.2	-178.7	138.3	0	0	111.1	F16 S17 E22 C23 L24	F16-E20 HydrophobicContact CB-CB 4.31Å; F16-E20 HydrophobicContact CD1-CB 4.05Å; S17-E20 PolarHBondContact N-OE2 2.98Å; S17-E20 PolarHBondContact O-N 2.98Å; S17-E20 WeakPolarHBondContact OG-CG 3.35Å; S17-E20 PolarHBondContact OG-N 2.86Å; E20-E22 VanDerWaalsContact C-N 3.34Å; E20-E22 PolarHBondContact O-N 3.16Å; E20-C23 WeakPolarHBondContact O-CB 3.35Å; E20-C23 PolarHBondContact O-N 2.83Å; E20-C23 VanDerWaalsContact O-N 3.14Å; E20-L24 PolarHBondContact O-N 2.84Å
21	W	71.3	Confident	63.6	Low	63 Å²	63	85.7 Å²	85.7	24%	0.239	46%	0.46	C	S	.	.	H	α-helix	trans	-60.7	-43.2	176.1	-174.3	-109.9	0	0	0	110.8	F16 S17 Q18 C23 L24 K29 Y32	F16-W21 HydrophobicContact CB-CB 4.23Å; F16-W21 HydrophobicContact CB-CE3 4.32Å; F16-W21 AromaticContact CD2-CE3 3.77Å; F16-W21 HydrophobicContact CD2-CE3 3.77Å; F16-W21 HydrophobicContact CD2-CZ3 4.06Å; F16-W21 HydrophobicContact CE2-CE3 4.49Å; F16-W21 HydrophobicContact CE2-CZ3 4.46Å; F16-W21 HydrophobicContact CG-CE3 4.32Å; S17-W21 VanDerWaalsContact O-CB 3.22Å; S17-W21 WeakPolarHBondContact O-CB 3.39Å; S17-W21 PolarHBondContact O-N 2.79Å; Q18-W21 PolarHBondContact O-N 3.29Å; W21-C23 VanDerWaalsContact C-N 3.26Å; W21-C23 PolarHBondContact O-N 2.95Å; W21-L24 HydrophobicContact CE3-CD1 3.62Å; W21-L24 HydrophobicContact CZ3-CD1 3.87Å; W21-L24 WeakPolarHBondContact O-CB 3.47Å; W21-L24 PolarHBondContact O-N 2.97Å; W21-L24 VanDerWaalsContact O-N 3.11Å; W21-K29 HydrophobicContact CD2-CG 4.31Å; W21-K29 HydrophobicContact CE3-CG 4.42Å; W21-K29 HydrophobicContact CH2-CB 3.77Å; W21-K29 HydrophobicContact CH2-CG 3.75Å; W21-K29 HydrophobicContact CZ2-CB 3.84Å; W21-K29 HydrophobicContact CZ2-CD 3.91Å; W21-K29 HydrophobicContact CZ2-CG 3.63Å; W21-K29 HydrophobicContact CZ3-CG 4.15Å; W21-K29 WeakPolarHBondContact O-CE 3.3Å; W21-K29 PolarHBondContact O-NZ 3.1Å; W21-Y32 AromaticContact CH2-CD1 3.53Å; W21-Y32 HydrophobicContact CH2-CD1 3.53Å; W21-Y32 HydrophobicContact CH2-CE1 4.26Å; W21-Y32 HydrophobicContact CH2-CG 4.14Å; W21-Y32 AromaticContact CZ3-CD1 3.38Å; W21-Y32 HydrophobicContact CZ3-CD1 3.38Å; W21-Y32 AromaticContact CZ3-CE1 3.96Å; W21-Y32 HydrophobicContact CZ3-CE1 3.96Å; W21-Y32 AromaticContact CZ3-CG 3.71Å; W21-Y32 HydrophobicContact CZ3-CG 3.71Å
22	E	60.2	Low	64.1	Low	127 Å²	127	83.1 Å²	83.1	59%	0.593	44%	0.443	S	S	*	.	H	α-helix	trans	-62.3	-31.3	175.7	-78.6	175.5	-160.4	0	0	113	Q18 E19 E20 L24	Q18-E22 PolarHBondContact NE2-OE1 2.9Å; Q18-E22 WeakPolarHBondContact O-CB 3.3Å; Q18-E22 WeakPolarHBondContact O-CG 3.4Å; Q18-E22 PolarHBondContact O-N 3.03Å; E19-E22 PolarHBondContact O-N 3.31Å; E20-E22 VanDerWaalsContact C-N 3.34Å; E20-E22 PolarHBondContact O-N 3.16Å; E22-L24 VanDerWaalsContact C-N 3.32Å; E22-L24 PolarHBondContact O-N 3.35Å
23	C	65.1	Low	64.3	Low	111 Å²	111	86.5 Å²	86.5	75%	0.75	45%	0.45	S	S	*	.	H	α-helix	trans	-72	-16.5	174.1	-66.4	0	0	0	0	114.9	E19 E20 W21	E19-C23 PolarHBondContact O-N 2.99Å; E19-C23 VanDerWaalsContact O-N 3.09Å; E19-C23 PolarHBondContact O-SG 3.04Å; E20-C23 WeakPolarHBondContact O-CB 3.35Å; E20-C23 PolarHBondContact O-N 2.83Å; E20-C23 VanDerWaalsContact O-N 3.14Å; W21-C23 VanDerWaalsContact C-N 3.26Å; W21-C23 PolarHBondContact O-N 2.95Å
24	L	68.1	Low	64.4	Low	34 Å²	34	90.9 Å²	90.9	18%	0.178	47%	0.472	C	S	.	.	S	Bend	trans	-76.6	138.3	178.2	-63.4	179.2	0	0	0	112.3	F16 E20 W21 E22 Q28 K29	F16-L24 HydrophobicContact CD2-CD1 3.97Å; F16-L24 HydrophobicContact CE1-CD1 4.29Å; F16-L24 HydrophobicContact CE2-CD1 3.71Å; F16-L24 HydrophobicContact CG-CD1 4.36Å; F16-L24 HydrophobicContact CZ-CD1 3.88Å; E20-L24 PolarHBondContact O-N 2.84Å; W21-L24 HydrophobicContact CE3-CD1 3.62Å; W21-L24 HydrophobicContact CZ3-CD1 3.87Å; W21-L24 WeakPolarHBondContact O-CB 3.47Å; W21-L24 PolarHBondContact O-N 2.97Å; W21-L24 VanDerWaalsContact O-N 3.11Å; E22-L24 VanDerWaalsContact C-N 3.32Å; E22-L24 PolarHBondContact O-N 3.35Å; L24-Q28 HydrophobicContact CB-CB 4.1Å; L24-Q28 HydrophobicContact CD2-CB 4.25Å; L24-Q28 VanDerWaalsContact CD2-OE1 3.23Å; L24-K29 HydrophobicContact CB-CG 3.86Å; L24-K29 PolarHBondContact O-NZ 2.85Å
25	D	67.8	Low	64.5	Low	78 Å²	78	88.3 Å²	88.3	42%	0.417	46%	0.461	S	S	.	.			trans	-73.2	168.1	171.5	75.9	54	0	0	0	112.4	A27 Q28 K29	D25-A27 VanDerWaalsContact C-N 3.32Å; D25-A27 PolarHBondContact O-N 3Å; D25-A27 WeakPolarHBondContact OD1-CA 3.45Å; D25-A27 WeakPolarHBondContact OD1-CB 3.38Å; D25-A27 PolarHBondContact OD1-N 2.89Å; D25-Q28 WeakPolarHBondContact O-CB 3.48Å; D25-Q28 PolarHBondContact O-N 3.33Å; D25-Q28 PolarHBondContact OD1-N 2.71Å; D25-Q28 WeakPolarHBondContact OD2-CG 3.48Å; D25-Q28 PolarHBondContact OD2-NE2 3.38Å; D25-K29 WeakPolarHBondContact O-CG 3.47Å; D25-K29 PolarHBondContact O-N 3.49Å
26	A	55.8	Low	65.3	Low	72 Å²	72	83.3 Å²	83.3	60%	0.595	43%	0.434	S	S	*	.	H	α-helix	trans	-60	-38.3	-177	0	0	0	0	0	113.3	K29 D30	A26-K29 PolarHBondContact O-N 3.16Å; A26-D30 PolarHBondContact O-N 3.3Å
27	A	59.1	Low	64.7	Low	72 Å²	72	85.5 Å²	85.5	60%	0.595	45%	0.447	S	S	*	.	H	α-helix	trans	-72.5	-31.1	179.2	0	0	0	0	0	111.9	D25 L31	D25-A27 VanDerWaalsContact C-N 3.32Å; D25-A27 PolarHBondContact O-N 3Å; D25-A27 WeakPolarHBondContact OD1-CA 3.45Å; D25-A27 WeakPolarHBondContact OD1-CB 3.38Å; D25-A27 PolarHBondContact OD1-N 2.89Å; A27-L31 VanDerWaalsContact O-CB 3.23Å; A27-L31 WeakPolarHBondContact O-CB 3.48Å; A27-L31 PolarHBondContact O-N 3.22Å
28	Q	63.5	Low	64.6	Low	84 Å²	84	89.8 Å²	89.8	39%	0.393	46%	0.462	S	S	.	.	H	α-helix	trans	-68.7	-41.2	171.2	-65.9	169.7	8.2	0	0	111.7	L24 D25 L31 Y32	L24-Q28 HydrophobicContact CB-CB 4.1Å; L24-Q28 HydrophobicContact CD2-CB 4.25Å; L24-Q28 VanDerWaalsContact CD2-OE1 3.23Å; D25-Q28 WeakPolarHBondContact O-CB 3.48Å; D25-Q28 PolarHBondContact O-N 3.33Å; D25-Q28 PolarHBondContact OD1-N 2.71Å; D25-Q28 WeakPolarHBondContact OD2-CG 3.48Å; D25-Q28 PolarHBondContact OD2-NE2 3.38Å; Q28-L31 PolarHBondContact O-N 3.05Å; Q28-Y32 WeakPolarHBondContact O-CB 3.25Å; Q28-Y32 PolarHBondContact O-N 2.99Å
29	K	71.4	Confident	65.4	Low	43 Å²	43	86.2 Å²	86.2	19%	0.187	45%	0.447	C	S	.	.	H	α-helix	trans	-65.2	-39.8	176	-72.5	-178.5	162.8	105.8	0	112.8	W21 L24 D25 A26 R33	W21-K29 HydrophobicContact CD2-CG 4.31Å; W21-K29 HydrophobicContact CE3-CG 4.42Å; W21-K29 HydrophobicContact CH2-CB 3.77Å; W21-K29 HydrophobicContact CH2-CG 3.75Å; W21-K29 HydrophobicContact CZ2-CB 3.84Å; W21-K29 HydrophobicContact CZ2-CD 3.91Å; W21-K29 HydrophobicContact CZ2-CG 3.63Å; W21-K29 HydrophobicContact CZ3-CG 4.15Å; W21-K29 WeakPolarHBondContact O-CE 3.3Å; W21-K29 PolarHBondContact O-NZ 3.1Å; L24-K29 HydrophobicContact CB-CG 3.86Å; L24-K29 PolarHBondContact O-NZ 2.85Å; D25-K29 WeakPolarHBondContact O-CG 3.47Å; D25-K29 PolarHBondContact O-N 3.49Å; A26-K29 PolarHBondContact O-N 3.16Å; K29-R33 WeakPolarHBondContact O-CG 3.11Å; K29-R33 PolarHBondContact O-N 3.22Å
30	D	64.9	Low	65.6	Low	77 Å²	77	85.8 Å²	85.8	41%	0.412	44%	0.44	S	S	.	.	H	α-helix	trans	-72.4	-41	175.7	-72	-27.3	0	0	0	111.9	A26 Y32 R33 D34	A26-D30 PolarHBondContact O-N 3.3Å; D30-Y32 VanDerWaalsContact C-N 3.26Å; D30-Y32 PolarHBondContact O-N 3.16Å; D30-R33 WeakPolarHBondContact O-CB 3.31Å; D30-R33 PolarHBondContact O-N 3.24Å; D30-R33 VanDerWaalsContact O-N 3.11Å; D30-R33 IonicContact OD1-CZ 3.8Å; D30-R33 IonicContact OD1-NH1 2.82Å; D30-R33 PolarHBondContact OD1-NH1 3.47Å; D30-D34 PolarHBondContact O-N 2.93Å
31	L	64.6	Low	65.5	Low	111 Å²	111	84 Å²	84	58%	0.581	44%	0.439	S	S	*	.	H	α-helix	trans	-57.7	-38.6	171.9	178.1	63	0	0	0	112.2	A27 Q28 D34 V35	A27-L31 VanDerWaalsContact O-CB 3.23Å; A27-L31 WeakPolarHBondContact O-CB 3.48Å; A27-L31 PolarHBondContact O-N 3.22Å; Q28-L31 PolarHBondContact O-N 3.05Å; L31-D34 PolarHBondContact O-N 3.43Å; L31-V35 HydrophobicContact CD1-CG2 4.26Å; L31-V35 VanDerWaalsContact O-CG2 3.31Å; L31-V35 WeakPolarHBondContact O-CG2 3.46Å; L31-V35 PolarHBondContact O-N 3.4Å
32	Y	76.6	Confident	64.9	Low	52 Å²	52	83.7 Å²	83.7	20%	0.204	45%	0.447	C	S	.	.	H	α-helix	trans	-62.3	-45.8	174.4	175.4	-99.5	0	0	0	112.2	I14 F16 W21 Q28 D30 D34 V35 M36	I14-Y32 HydrophobicContact CB-CE2 4.46Å; I14-Y32 WeakPolarHBondContact O-CE2 3.39Å; I14-Y32 PolarHBondContact O-OH 2.96Å; F16-Y32 HydrophobicContact CD2-CD2 4.04Å; F16-Y32 AromaticContact CD2-CE2 3.92Å; F16-Y32 HydrophobicContact CD2-CE2 3.92Å; F16-Y32 AromaticContact CE2-CD2 3.55Å; F16-Y32 HydrophobicContact CE2-CD2 3.55Å; F16-Y32 AromaticContact CE2-CE2 3.79Å; F16-Y32 HydrophobicContact CE2-CE2 3.79Å; F16-Y32 HydrophobicContact CE2-CG 4.19Å; W21-Y32 AromaticContact CH2-CD1 3.53Å; W21-Y32 HydrophobicContact CH2-CD1 3.53Å; W21-Y32 HydrophobicContact CH2-CE1 4.26Å; W21-Y32 HydrophobicContact CH2-CG 4.14Å; W21-Y32 AromaticContact CZ3-CD1 3.38Å; W21-Y32 HydrophobicContact CZ3-CD1 3.38Å; W21-Y32 AromaticContact CZ3-CE1 3.96Å; W21-Y32 HydrophobicContact CZ3-CE1 3.96Å; W21-Y32 AromaticContact CZ3-CG 3.71Å; W21-Y32 HydrophobicContact CZ3-CG 3.71Å; Q28-Y32 WeakPolarHBondContact O-CB 3.25Å; Q28-Y32 PolarHBondContact O-N 2.99Å; D30-Y32 VanDerWaalsContact C-N 3.26Å; D30-Y32 PolarHBondContact O-N 3.16Å; Y32-D34 PolarHBondContact O-N 3.08Å; Y32-V35 PolarHBondContact O-N 3.32Å; Y32-M36 HydrophobicContact CD1-CG 4.21Å; Y32-M36 HydrophobicContact CD2-CE 4.27Å; Y32-M36 HydrophobicContact CD2-CG 4.14Å; Y32-M36 HydrophobicContact CE1-CG 3.8Å; Y32-M36 HydrophobicContact CE2-CE 3.71Å; Y32-M36 HydrophobicContact CE2-CG 3.7Å; Y32-M36 HydrophobicContact CE2-SD 4.15Å; Y32-M36 HydrophobicContact CG-CG 4.39Å; Y32-M36 WeakPolarHBondContact O-CB 3.48Å; Y32-M36 VanDerWaalsContact O-CG 3.31Å; Y32-M36 WeakPolarHBondContact O-CG 3.45Å; Y32-M36 PolarHBondContact O-N 2.8Å
33	R	66.3	Low	64.7	Low	145 Å²	145	79.4 Å²	79.4	55%	0.547	43%	0.428	S	S	.	.	H	α-helix	trans	-60	-45.9	177	-69.7	167	176.2	168	-6.4	111.6	K29 D30 M36 M37	K29-R33 WeakPolarHBondContact O-CG 3.11Å; K29-R33 PolarHBondContact O-N 3.22Å; D30-R33 WeakPolarHBondContact O-CB 3.31Å; D30-R33 PolarHBondContact O-N 3.24Å; D30-R33 VanDerWaalsContact O-N 3.11Å; D30-R33 IonicContact OD1-CZ 3.8Å; D30-R33 IonicContact OD1-NH1 2.82Å; D30-R33 PolarHBondContact OD1-NH1 3.47Å; R33-M36 PolarHBondContact O-N 2.93Å; R33-M37 WeakPolarHBondContact O-CB 3.3Å; R33-M37 VanDerWaalsContact O-CG 3.28Å; R33-M37 WeakPolarHBondContact O-CG 3.48Å; R33-M37 PolarHBondContact O-N 3.3Å
34	D	65.3	Low	64.1	Low	114 Å²	114	78.1 Å²	78.1	61%	0.61	42%	0.417	S	S	*	.	H	α-helix	trans	-60	-46.7	178.1	-78.3	-10.6	0	0	0	111.4	D30 L31 Y32 M37 E38	D30-D34 PolarHBondContact O-N 2.93Å; L31-D34 PolarHBondContact O-N 3.43Å; Y32-D34 PolarHBondContact O-N 3.08Å; D34-M37 PolarHBondContact O-N 3Å; D34-E38 WeakPolarHBondContact O-CB 3.41Å; D34-E38 PolarHBondContact O-N 2.93Å
35	V	67.6	Low	63.5	Low	57 Å²	57	79.7 Å²	79.7	35%	0.345	43%	0.431	S	S	.	.	H	α-helix	trans	-65.6	-40.9	178.4	171.7	0	0	0	0	112	L31 Y32 M37 E38 N39	L31-V35 HydrophobicContact CD1-CG2 4.26Å; L31-V35 VanDerWaalsContact O-CG2 3.31Å; L31-V35 WeakPolarHBondContact O-CG2 3.46Å; L31-V35 PolarHBondContact O-N 3.4Å; Y32-V35 PolarHBondContact O-N 3.32Å; V35-M37 VanDerWaalsContact C-N 3.35Å; V35-E38 PolarHBondContact O-N 2.96Å; V35-N39 WeakPolarHBondContact O-CB 3.3Å; V35-N39 PolarHBondContact O-N 3.43Å
36	M	79.6	Confident	62.8	Low	19 Å²	19	81.3 Å²	81.3	9%	0.094	44%	0.439	C	S	.	.	H	α-helix	trans	-67.3	-35.6	177	-70	-62	130.4	0	0	112.2	I14 Y32 R33 Y40	I14-M36 HydrophobicContact CB-CE 4.02Å; I14-M36 HydrophobicContact CD1-CE 4.44Å; I14-M36 HydrophobicContact CG1-CE 4.05Å; Y32-M36 HydrophobicContact CD1-CG 4.21Å; Y32-M36 HydrophobicContact CD2-CE 4.27Å; Y32-M36 HydrophobicContact CD2-CG 4.14Å; Y32-M36 HydrophobicContact CE1-CG 3.8Å; Y32-M36 HydrophobicContact CE2-CE 3.71Å; Y32-M36 HydrophobicContact CE2-CG 3.7Å; Y32-M36 HydrophobicContact CE2-SD 4.15Å; Y32-M36 HydrophobicContact CG-CG 4.39Å; Y32-M36 WeakPolarHBondContact O-CB 3.48Å; Y32-M36 VanDerWaalsContact O-CG 3.31Å; Y32-M36 WeakPolarHBondContact O-CG 3.45Å; Y32-M36 PolarHBondContact O-N 2.8Å; R33-M36 PolarHBondContact O-N 2.93Å; M36-Y40 WeakPolarHBondContact O-CB 3.46Å; M36-Y40 PolarHBondContact O-N 3.45Å
37	M	61	Low	62.1	Low	127 Å²	127	83.7 Å²	83.7	63%	0.626	44%	0.442	S	S	*	.	H	α-helix	trans	-69.1	-37.1	172.5	-72.7	-65.5	-66.6	0	0	112.5	R33 D34 V35 Y40 S41	R33-M37 WeakPolarHBondContact O-CB 3.3Å; R33-M37 VanDerWaalsContact O-CG 3.28Å; R33-M37 WeakPolarHBondContact O-CG 3.48Å; R33-M37 PolarHBondContact O-N 3.3Å; D34-M37 PolarHBondContact O-N 3Å; V35-M37 VanDerWaalsContact C-N 3.35Å; M37-Y40 PolarHBondContact O-N 3.2Å; M37-S41 VanDerWaalsContact O-CB 3.3Å; M37-S41 WeakPolarHBondContact O-CB 3.43Å; M37-S41 PolarHBondContact O-N 3.16Å
38	E	63	Low	61.1	Low	136 Å²	136	84.6 Å²	84.6	64%	0.636	44%	0.443	S	S	*	.	H	α-helix	trans	-67.7	-40.1	174	-170.7	168.6	-156.9	0	0	111.5	D34 V35 S41 S42	D34-E38 WeakPolarHBondContact O-CB 3.41Å; D34-E38 PolarHBondContact O-N 2.93Å; V35-E38 PolarHBondContact O-N 2.96Å; E38-S41 PolarHBondContact O-N 3.2Å; E38-S42 VanDerWaalsContact O-CB 3.31Å; E38-S42 WeakPolarHBondContact O-CB 3.46Å; E38-S42 PolarHBondContact O-N 3.27Å; E38-S42 PolarHBondContact O-OG 2.86Å
39	N	66.3	Low	59.7	Low	48 Å²	48	88.6 Å²	88.6	26%	0.257	46%	0.462	S	S	.	.	H	α-helix	trans	-62.6	-45.4	172.4	-76.8	0.5	0	0	0	111.5	F9 L12 V35 S42 L43	F9-N39 HydrophobicContact CE2-CB 4.24Å; L12-N39 PolarHBondContact O-ND2 3.29Å; V35-N39 WeakPolarHBondContact O-CB 3.3Å; V35-N39 PolarHBondContact O-N 3.43Å; N39-S42 WeakPolarHBondContact O-CB 3.45Å; N39-S42 PolarHBondContact O-N 3.14Å; N39-L43 PolarHBondContact O-N 2.83Å
40	Y	58.3	Low	58	Low	123 Å²	123	95.6 Å²	95.6	48%	0.482	49%	0.493	S	S	.	.	H	α-helix	trans	-62.4	-47.3	177.4	-178.4	-100.2	0	0	0	111.7	F9 M36 M37 S42 L43 V44	F9-Y40 HydrophobicContact CD1-CD2 4.49Å; F9-Y40 HydrophobicContact CD2-CD2 4.07Å; F9-Y40 HydrophobicContact CE2-CD2 4.17Å; F9-Y40 HydrophobicContact CE2-CG 4.42Å; F9-Y40 HydrophobicContact CG-CD2 4.25Å; F9-Y40 HydrophobicContact CZ-CD2 4.41Å; M36-Y40 WeakPolarHBondContact O-CB 3.46Å; M36-Y40 PolarHBondContact O-N 3.45Å; M37-Y40 PolarHBondContact O-N 3.2Å; Y40-S42 VanDerWaalsContact C-N 3.26Å; Y40-S42 PolarHBondContact O-N 2.87Å; Y40-L43 PolarHBondContact O-N 2.91Å; Y40-V44 HydrophobicContact CD1-CG2 4.25Å; Y40-V44 HydrophobicContact CE1-CG2 3.81Å; Y40-V44 HydrophobicContact CE2-CG2 4.27Å; Y40-V44 WeakPolarHBondContact O-CG2 3.43Å; Y40-V44 PolarHBondContact O-N 3.14Å
41	S	59	Low	56.2	Low	70 Å²	70	102.7 Å²	102.7	49%	0.49	51%	0.514	S	S	.	.	H	α-helix	trans	-61.1	-35.4	176.3	-170	0	0	0	0	112.3	M37 E38 S45	M37-S41 VanDerWaalsContact O-CB 3.3Å; M37-S41 WeakPolarHBondContact O-CB 3.43Å; M37-S41 PolarHBondContact O-N 3.16Å; E38-S41 PolarHBondContact O-N 3.2Å; S41-S45 WeakPolarHBondContact O-CB 3.1Å; S41-S45 PolarHBondContact O-N 3.19Å; S41-S45 PolarHBondContact O-OG 3.31Å
42	S	59.1	Low	54.3	Low	58 Å²	58	103.1 Å²	103.1	41%	0.406	53%	0.525	S	S	.	.	H	α-helix	trans	-67.3	-42.5	174.8	-61.6	0	0	0	0	112	E38 N39 Y40 S45 L46	E38-S42 VanDerWaalsContact O-CB 3.31Å; E38-S42 WeakPolarHBondContact O-CB 3.46Å; E38-S42 PolarHBondContact O-N 3.27Å; E38-S42 PolarHBondContact O-OG 2.86Å; N39-S42 WeakPolarHBondContact O-CB 3.45Å; N39-S42 PolarHBondContact O-N 3.14Å; Y40-S42 VanDerWaalsContact C-N 3.26Å; Y40-S42 PolarHBondContact O-N 2.87Å; S42-S45 WeakPolarHBondContact O-CB 3.21Å; S42-S45 PolarHBondContact O-N 2.93Å; S42-L46 WeakPolarHBondContact O-CG 3.41Å; S42-L46 PolarHBondContact O-N 3.17Å
43	L	56.6	Low	51.9	Low	37 Å²	37	109.9 Å²	109.9	19%	0.194	56%	0.555	C	S	.	*	H	α-helix	trans	-65.8	-44.6	177.4	-120	167	0	0	0	112.5	F9 L12 N39 Y40 S45 L46 D47	F9-L43 VanDerWaalsContact CA-CD1 3.4Å; F9-L43 HydrophobicContact CB-CD1 3.93Å; F9-L43 HydrophobicContact CD2-CD1 4.01Å; F9-L43 HydrophobicContact CG-CD1 4.49Å; L12-L43 HydrophobicContact CD1-CD1 3.88Å; L12-L43 HydrophobicContact CD1-CG 4.2Å; N39-L43 PolarHBondContact O-N 2.83Å; Y40-L43 PolarHBondContact O-N 2.91Å; L43-S45 PolarHBondContact O-N 3.29Å; L43-L46 PolarHBondContact O-N 3.18Å; L43-L46 VanDerWaalsContact O-N 3.08Å; L43-D47 PolarHBondContact O-N 3.27Å
44	V	53.3	Low	49.9	Very low	83 Å²	83	109.5 Å²	109.5	50%	0.503	57%	0.569	S	S	.	*	H	α-helix	trans	-61.9	-30.9	172.9	174.1	0	0	0	0	111.6	Y40	Y40-V44 HydrophobicContact CD1-CG2 4.25Å; Y40-V44 HydrophobicContact CE1-CG2 3.81Å; Y40-V44 HydrophobicContact CE2-CG2 4.27Å; Y40-V44 WeakPolarHBondContact O-CG2 3.43Å; Y40-V44 PolarHBondContact O-N 3.14Å
45	S	54.5	Low	48	Very low	68 Å²	68	113.2 Å²	113.2	48%	0.476	58%	0.58	S	S	.	*	H	α-helix	trans	-71.6	-32.6	173.8	-60.6	0	0	0	0	112.9	S41 S42 L43 S48	S41-S45 WeakPolarHBondContact O-CB 3.1Å; S41-S45 PolarHBondContact O-N 3.19Å; S41-S45 PolarHBondContact O-OG 3.31Å; S42-S45 WeakPolarHBondContact O-CB 3.21Å; S42-S45 PolarHBondContact O-N 2.93Å; L43-S45 PolarHBondContact O-N 3.29Å; S45-S48 WeakPolarHBondContact O-CB 3.48Å; S45-S48 PolarHBondContact O-N 3.2Å; S45-S48 PolarHBondContact O-OG 3.22Å
46	L	52.5	Low	46	Very low	112 Å²	112	117.9 Å²	117.9	59%	0.586	60%	0.603	S	S	*	*	H	α-helix	trans	-72.1	-38.1	178.9	-71.7	167	0	0	0	112.6	S42 L43 S48 E49	S42-L46 WeakPolarHBondContact O-CG 3.41Å; S42-L46 PolarHBondContact O-N 3.17Å; L43-L46 PolarHBondContact O-N 3.18Å; L43-L46 VanDerWaalsContact O-N 3.08Å; L46-S48 PolarHBondContact O-N 3.43Å; L46-S48 VanDerWaalsContact O-N 3.15Å; L46-E49 PolarHBondContact O-N 3.43Å
47	D	41.6	Very low	43.3	Very low	122 Å²	122	122 Å²	122	65%	0.652	63%	0.633	S	S	*	*	H	α-helix	trans	-62.3	-21.5	174.8	-168.8	45.4	0	0	0	112.2	L43 E49 F50	L43-D47 PolarHBondContact O-N 3.27Å; D47-E49 VanDerWaalsContact C-N 3.27Å; D47-E49 PolarHBondContact O-N 2.77Å; D47-F50 PolarHBondContact O-N 3.48Å
48	S	37.2	Very low	41.5	Very low	90 Å²	90	121.5 Å²	121.5	63%	0.629	64%	0.641	S	S	*	*	G	3₁₀ helix	trans	-67.9	-19.5	177.7	83.2	0	0	0	0	114.7	S45 L46	S45-S48 WeakPolarHBondContact O-CB 3.48Å; S45-S48 PolarHBondContact O-N 3.2Å; S45-S48 PolarHBondContact O-OG 3.22Å; L46-S48 PolarHBondContact O-N 3.43Å; L46-S48 VanDerWaalsContact O-N 3.15Å
49	E	35.8	Very low	39.5	Very low	168 Å²	168	122.5 Å²	122.5	79%	0.785	65%	0.65	S	S	*	*	G	3₁₀ helix	trans	-79.9	-12.5	178.7	-70.8	-154.7	121.9	0	0	113.8	L46 D47	L46-E49 PolarHBondContact O-N 3.43Å; D47-E49 VanDerWaalsContact C-N 3.27Å; D47-E49 PolarHBondContact O-N 2.77Å
50	F	35.3	Very low	37.8	Very low	191 Å²	191	125.5 Å²	125.5	84%	0.838	67%	0.672	S	S	*	*	G	3₁₀ helix	trans	-103.9	17.3	-173.1	-110.9	-86.9	0	0	0	116.9	D47	D47-F50 PolarHBondContact O-N 3.48Å
51	R	26.9	Very low	36.2	Very low	226 Å²	226	127.7 Å²	127.7	85%	0.853	68%	0.684	S	S	*	*			trans	-129.6	97.1	168	-69.6	-168.1	-174.5	-132.4	1.6	114.4
52	C	24.9	Very low	34.6	Very low	119 Å²	119	132.4 Å²	132.4	80%	0.804	70%	0.698	S	S	*	*				162	112.4	111.7	-172.8	0	0	0	0	112.8
53	K	25.5	Very low	33	Very low	194 Å²	194	136.4 Å²	136.4	84%	0.843	71%	0.714	S	S	*	*	S	Bend	trans	-129	151.8	147.7	-80.9	-177.6	-179	169.6	0	108.1
54	T	25.5	Very low	31.5	Very low	138 Å²	138	145.7 Å²	145.7	85%	0.847	75%	0.748	S	S	*	*			trans	58.1	125.4	174.1	43.9	0	0	0	0	117.1
55	K	25.6	Very low	30.1	Very low	192 Å²	192	149.3 Å²	149.3	84%	0.835	76%	0.759	S	S	*	*			trans	-87.4	151.1	155	-66.6	-179.8	172.2	-173.5	0	108.2
56	D	24.6	Very low	28.6	Very low	155 Å²	155	152.2 Å²	152.2	83%	0.829	77%	0.774	S	S	*	*				-166.3	154.2	118.2	-96.9	-28.2	0	0	0	113.7
57	S	23.8	Very low	27.2	Very low	105 Å²	105	152 Å²	152	73%	0.734	78%	0.777	S	S	*	*			trans	32.8	118.2	161.7	59.4	0	0	0	0	123.8
58	C	22	Very low	26.4	Very low	116 Å²	116	151.5 Å²	151.5	78%	0.784	78%	0.783	S	S	*	*			trans	61.2	107.7	132.2	-62.2	0	0	0	0	123.3
59	L	22.3	Very low	25.9	Very low	158 Å²	158	152.6 Å²	152.6	83%	0.827	79%	0.791	S	S	*	*				47.3	145.1	109.1	-72.3	174.8	0	0	0	120.8
60	P	30.4	Very low	25.4	Very low	111 Å²	111	152.7 Å²	152.7	72%	0.721	79%	0.792	S	S	*	*			cis	-138.9	165.2	39.2	41.6	-24.8	0	0	0	118.6
61	K	23.8	Very low	24.8	Very low	169 Å²	169	155.9 Å²	155.9	74%	0.735	80%	0.798	S	S	*	*			trans	40.6	148.9	139.3	-68.2	-171.9	175.6	-169.5	0	120.8
62	E	25.9	Very low	24.7	Very low	168 Å²	168	150.8 Å²	150.8	79%	0.785	79%	0.792	S	S	*	*			cis	-132.7	135.3	11	-61.8	177.9	147	0	0	107.7
63	I	25.5	Very low	24.7	Very low	142 Å²	142	155.7 Å²	155.7	73%	0.728	79%	0.794	S	S	*	*				62	103.2	66.8	-55.2	179.2	0	0	0	114
64	Y	23.8	Very low	24.4	Very low	233 Å²	233	152.7 Å²	152.7	91%	0.914	78%	0.784	S	S	*	*			trans	-138.6	111.9	148.1	-144.7	-89.4	0	0	0	108.6
65	E	23.8	Very low	24.4	Very low	158 Å²	158	153.1 Å²	153.1	74%	0.738	78%	0.777	S	S	*	*			trans	-124.6	127.7	170.1	-79.5	-168.3	134.4	0	0	108.5	T67	E65-T67 HydrophobicContact CB-CG2 4.42Å
66	V	23.2	Very low	24.3	Very low	130 Å²	130	153.4 Å²	153.4	79%	0.788	78%	0.778	S	S	*	*			trans	-172	100.9	138.6	168.2	0	0	0	0	103.4
67	T	24.7	Very low	24.2	Very low	106 Å²	106	150.7 Å²	150.7	65%	0.65	77%	0.77	S	S	*	*			cis	76	136	49.8	78.4	0	0	0	0	116.1	E65	E65-T67 HydrophobicContact CB-CG2 4.42Å
68	S	24.4	Very low	24.2	Very low	112 Å²	112	154.7 Å²	154.7	78%	0.783	78%	0.776	S	S	*	*			trans	84.2	103.9	151.2	-154.3	0	0	0	0	121
69	S	25.4	Very low	24.2	Very low	114 Å²	114	153.5 Å²	153.5	80%	0.797	77%	0.769	S	S	*	*			trans	-161.9	141	130.5	53.4	0	0	0	0	109.8
70	Q	26	Very low	24.2	Very low	170 Å²	170	153.1 Å²	153.1	79%	0.794	77%	0.768	S	S	*	*			cis	-158	137.4	-25.5	-142.9	171.5	0.9	0	0	107.9
71	W	22.2	Very low	23.8	Very low	257 Å²	257	154.8 Å²	154.8	97%	0.973	78%	0.776	S	S	*	*			trans	-141.7	101.2	176.7	-93.8	94.8	0	0	0	111.8
72	V	24.3	Very low	23.7	Very low	119 Å²	119	150.1 Å²	150.1	72%	0.721	78%	0.775	S	S	*	*			trans	-148.6	111.1	177.2	176.9	0	0	0	0	111.2
73	R	25.1	Very low	23.6	Very low	222 Å²	222	147.3 Å²	147.3	84%	0.838	77%	0.774	S	S	*	*			trans	53.8	161.1	148.4	-70.7	-176.8	163.2	155.5	-4.7	121.1
74	M	21	Very low	23.4	Very low	132 Å²	132	145.6 Å²	145.6	65%	0.65	77%	0.774	S	S	*	*			cis	-176.4	141.2	-25.7	-179.7	162.4	157.5	0	0	110.3
75	E	24.4	Very low	23.2	Very low	147 Å²	147	140.1 Å²	140.1	69%	0.687	77%	0.765	S	S	*	*			trans	48	124.9	156.6	-70.6	173	175.8	0	0	123.9
76	K	23.8	Very low	23.1	Very low	198 Å²	198	142.1 Å²	142.1	86%	0.861	77%	0.766	S	S	*	*				-163.5	126.4	98.4	-96.3	-178.3	176.2	-179.9	0	108.3
77	C	22	Very low	23	Very low	97 Å²	97	141.8 Å²	141.8	66%	0.655	76%	0.76	S	S	*	*				65.6	103.6	66.2	-67.8	0	0	0	0	114.9
78	H	24.2	Very low	22.8	Very low	189 Å²	189	143.3 Å²	143.3	88%	0.875	76%	0.764	S	S	*	*				-155.2	167.5	102	-117.6	-96.4	0	0	0	111.4
79	S	22.6	Very low	22.7	Very low	91 Å²	91	148.8 Å²	148.8	64%	0.636	77%	0.768	S	S	*	*			trans	-123.8	165.5	-174.1	54.4	0	0	0	0	111.7
80	L	22.7	Very low	22.4	Very low	151 Å²	151	150.5 Å²	150.5	79%	0.791	76%	0.763	S	S	*	*				168.2	135.6	126	-90.7	161.6	0	0	0	113.2
81	V	21.3	Very low	22.2	Very low	146 Å²	146	146.6 Å²	146.6	89%	0.885	75%	0.753	S	S	*	*			trans	65.2	146.1	152.9	-178.9	0	0	0	0	116.5
82	G	22.3	Very low	22.2	Very low	70 Å²	70	143.5 Å²	143.5	72%	0.722	75%	0.747	S	S	*	*			cis	-157	-164.5	4.8	0	0	0	0	0	112.9
83	S	22.7	Very low	22	Very low	109 Å²	109	140.7 Å²	140.7	76%	0.762	74%	0.742	S	S	*	*			trans	-117.7	159.5	-167.1	52.3	0	0	0	0	114.7
84	S	20.6	Very low	21.9	Very low	106 Å²	106	138 Å²	138	74%	0.741	74%	0.739	S	S	*	*			trans	89.2	162.3	147.9	84	0	0	0	0	120.2
85	V	20.8	Very low	22	Very low	119 Å²	119	139.5 Å²	139.5	72%	0.721	74%	0.742	S	S	*	*			trans	77.1	96.2	156.4	175.5	0	0	0	0	118
86	R	20.7	Very low	21.9	Very low	199 Å²	199	138.6 Å²	138.6	75%	0.751	74%	0.738	S	S	*	*				71.8	154	123.7	-87.3	-178.1	170.5	-111.7	7	122.9
87	D	21.4	Very low	21.9	Very low	124 Å²	124	135.9 Å²	135.9	66%	0.663	73%	0.728	S	S	*	*			trans	58.8	164	148.6	-53.8	-9.7	0	0	0	117
88	D	20.8	Very low	21.9	Very low	138 Å²	138	138.8 Å²	138.8	74%	0.738	73%	0.732	S	S	*	*			cis	-160.9	168.6	-48.2	-166	-0.1	0	0	0	105.6
89	W	21.8	Very low	21.8	Very low	226 Å²	226	136.6 Å²	136.6	86%	0.856	73%	0.727	S	S	*	*			trans	59.7	-178.2	173.4	-83.9	11.4	0	0	0	117.4
90	E	20.6	Very low	21.9	Very low	150 Å²	150	139.1 Å²	139.1	70%	0.701	73%	0.732	S	S	*	*				-172.9	156.5	-63.4	-149.8	-164.6	-125.8	0	0	107.4
91	C	20.8	Very low	22	Very low	88 Å²	88	138.2 Å²	138.2	60%	0.595	73%	0.727	S	S	*	*			trans	62	159.9	173.1	-75	0	0	0	0	115.7
92	K	22	Very low	22.1	Very low	192 Å²	192	138.2 Å²	138.2	84%	0.835	72%	0.718	S	S	*	*			cis	-137.6	159.1	-19.5	-97.9	143	-172.8	161.4	0	104.3
93	G	20.8	Very low	22.2	Very low	60 Å²	60	141 Å²	141	62%	0.619	71%	0.712	S	S	*	*			cis	102.2	108.5	34.8	0	0	0	0	0	110.3
94	Q	22.9	Very low	22.5	Very low	166 Å²	166	143.3 Å²	143.3	78%	0.776	70%	0.704	S	S	*	*			trans	63.5	149.9	153.7	-67.4	168.4	-32.2	0	0	117.9
95	F	21.9	Very low	22.6	Very low	163 Å²	163	149.7 Å²	149.7	72%	0.715	71%	0.714	S	S	*	*			cis	-162.7	178.9	-0.6	-105.5	-29.7	0	0	0	106.8
96	Q	22.7	Very low	22.7	Very low	128 Å²	128	148.3 Å²	148.3	60%	0.598	70%	0.702	S	S	*	*			cis	-162.1	161.2	1.4	-128.8	174.7	-88	0	0	109.1
97	H	23.4	Very low	22.9	Very low	141 Å²	141	146.8 Å²	146.8	65%	0.653	70%	0.703	S	S	*	*			trans	65.2	164.6	154.9	-76.3	-153	0	0	0	117.9
98	Q	22.4	Very low	23.1	Very low	158 Å²	158	151.3 Å²	151.3	74%	0.738	72%	0.717	S	S	*	*			cis	-145.8	172	-8.5	-133.8	164.1	-65.5	0	0	112.2
99	D	23.3	Very low	23.2	Very low	143 Å²	143	149.1 Å²	149.1	77%	0.765	72%	0.718	S	S	*	*			trans	-69.2	-178.9	-179.5	-58.1	-88.5	0	0	0	117.1
100	I	24.9	Very low	23.2	Very low	144 Å²	144	145.8 Å²	145.8	74%	0.738	72%	0.716	S	S	*	*			trans	103.7	107.5	149.5	-70.9	157.7	0	0	0	118.3
101	N	23.4	Very low	23.3	Very low	132 Å²	132	146.2 Å²	146.2	71%	0.706	72%	0.72	S	S	*	*			trans	64	162.6	141.1	-71	9	0	0	0	122.2
102	Q	23.7	Very low	23.5	Very low	146 Å²	146	146.1 Å²	146.1	68%	0.682	72%	0.716	S	S	*	*			cis	-178.5	162.2	-34.6	-159.4	177.5	-0.7	0	0	106.7
103	E	25.4	Very low	23.5	Very low	129 Å²	129	145.8 Å²	145.8	60%	0.603	71%	0.711	S	S	*	*			trans	66	164.5	165	-56.6	-152.3	124.8	0	0	115.2
104	R	27.4	Very low	23.6	Very low	158 Å²	158	150.4 Å²	150.4	60%	0.596	72%	0.717	S	S	*	*			cis	-157.4	157.5	-8.4	-128.5	160	-164	-162	30.5	109.6	L106	R104-L106 HydrophobicContact CB-CD1 4.42Å; R104-L106 HydrophobicContact CG-CD1 3.72Å; R104-L106 HydrophobicContact CG-CG 4.36Å
105	Y	23.1	Very low	23.6	Very low	240 Å²	240	148 Å²	148	94%	0.941	71%	0.714	S	S	*	*				-156.6	145.9	126.9	-113	-75.8	0	0	0	109
106	L	23.5	Very low	23.6	Very low	90 Å²	90	146 Å²	146	47%	0.471	72%	0.715	S	S	.	*			trans	-108.3	153.1	-160.4	-73.3	99.4	0	0	0	115.6	R104	R104-L106 HydrophobicContact CB-CD1 4.42Å; R104-L106 HydrophobicContact CG-CD1 3.72Å; R104-L106 HydrophobicContact CG-CG 4.36Å
107	E	24	Very low	24.2	Very low	167 Å²	167	144.8 Å²	144.8	78%	0.78	72%	0.718	S	S	*	*			trans	49.5	133.1	135.9	-65.8	171.2	161.9	0	0	122.3
108	K	26.1	Very low	24.2	Very low	218 Å²	218	143.9 Å²	143.9	95%	0.948	72%	0.722	S	S	*	*				-153.4	163.3	118.1	-109.5	162.8	-174.9	175.7	0	111.1
109	A	22.4	Very low	24.1	Very low	93 Å²	93	145.3 Å²	145.3	77%	0.769	73%	0.726	S	S	*	*			trans	-127.7	-157.9	-159.5	0	0	0	0	0	113.8
110	I	23.1	Very low	24.1	Very low	156 Å²	156	143.3 Å²	143.3	80%	0.8	72%	0.723	S	S	*	*			trans	98.8	100.4	-179	-58.1	167.8	0	0	0	111.5
111	M	22.6	Very low	24.1	Very low	159 Å²	159	143.6 Å²	143.6	78%	0.783	73%	0.725	S	S	*	*				77.5	148	76.5	-61.3	-97	-76.8	0	0	112.2
112	T	24	Very low	24.1	Very low	85 Å²	85	145.1 Å²	145.1	52%	0.521	73%	0.728	S	S	.	*			cis	-167.5	170.2	21	-14.1	0	0	0	0	113.3
113	Y	21.7	Very low	24.1	Very low	185 Å²	185	144.2 Å²	144.2	73%	0.725	73%	0.732	S	S	*	*			trans	66.8	129.1	157.8	-63.8	-55.4	0	0	0	118.1
114	E	23	Very low	24	Very low	158 Å²	158	142.4 Å²	142.4	74%	0.738	73%	0.734	S	S	*	*				70.1	140.2	62.2	-68.3	-178.6	-163.9	0	0	113.3
115	T	23.8	Very low	23.9	Very low	116 Å²	116	142.3 Å²	142.3	71%	0.712	74%	0.744	S	S	*	*			cis	-155.9	166.1	11.1	1.7	0	0	0	0	113.5
116	T	21.3	Very low	23.9	Very low	121 Å²	121	136.2 Å²	136.2	74%	0.742	73%	0.732	S	S	*	*			trans	-29	-175.1	157.7	64.1	0	0	0	0	119.6
117	P	35.6	Very low	24	Very low	102 Å²	102	138.8 Å²	138.8	66%	0.662	75%	0.746	S	S	*	*			cis	-145	-165.5	4.7	42.1	-20.3	0	0	0	117.3
118	T	22.9	Very low	23.9	Very low	121 Å²	121	137.8 Å²	137.8	74%	0.742	74%	0.741	S	S	*	*			trans	72	154.1	152.3	52.1	0	0	0	0	120.2
119	F	21.9	Very low	23.9	Very low	188 Å²	188	132.4 Å²	132.4	83%	0.825	72%	0.719	S	S	*	*			cis	-141.9	172.4	4.9	-156.5	-105.2	0	0	0	112.5
120	C	22.8	Very low	24.1	Very low	102 Å²	102	133.8 Å²	133.8	69%	0.689	70%	0.704	S	S	*	*			trans	-104.9	162.1	-177.1	-59.6	0	0	0	0	114.4
121	L	23.8	Very low	24.2	Very low	150 Å²	150	131.6 Å²	131.6	79%	0.785	69%	0.693	S	S	*	*			trans	-156.9	117.2	139.4	-89.5	130.1	0	0	0	106.7
122	Q	24.4	Very low	24.5	Very low	164 Å²	164	125.4 Å²	125.4	77%	0.766	66%	0.662	S	S	*	*				67.4	115.1	73.5	-158.9	-179.4	-14.4	0	0	110.4
123	T	24.1	Very low	25	Very low	127 Å²	127	125.6 Å²	125.6	78%	0.779	67%	0.665	S	S	*	*				-153	167.6	59.5	37.4	0	0	0	0	111.8
124	S	23.5	Very low	25.3	Very low	91 Å²	91	119.8 Å²	119.8	64%	0.636	66%	0.661	S	S	*	*			cis	-170.1	142	-12.5	46.9	0	0	0	0	111.7
125	L	23.8	Very low	25.5	Very low	156 Å²	156	119.5 Å²	119.5	82%	0.817	66%	0.659	S	S	*	*			trans	42.5	146.7	139.8	-79.2	74.4	0	0	0	121.8
126	T	24.2	Very low	25.7	Very low	111 Å²	111	122.2 Å²	122.2	68%	0.681	66%	0.661	S	S	*	*			cis	-167.7	150.2	-12.5	18	0	0	0	0	107.1
127	L	23.9	Very low	26	Very low	144 Å²	144	124.2 Å²	124.2	75%	0.754	67%	0.666	S	S	*	*				60.9	137.7	71.3	-130.9	76.4	0	0	0	113.3
128	H	23.7	Very low	25.3	Very low	147 Å²	147	130.3 Å²	130.3	68%	0.681	68%	0.678	S	S	*	*			cis	-157.4	-176.5	9.2	-141	173.2	0	0	0	108.7
129	H	25.5	Very low	25.5	Very low	104 Å²	104	133.8 Å²	133.8	48%	0.481	68%	0.683	S	S	.	*			cis	-156.6	-159.3	3.1	-165.1	61.7	0	0	0	110.3	T188	H129-T188 WeakPolarHBondContact O-CA 3.28Å; H129-T188 WeakPolarHBondContact O-CB 3.48Å; H129-T188 WeakPolarHBondContact O-CG2 3.15Å
130	R	27.1	Very low	25.5	Very low	123 Å²	123	130.3 Å²	130.3	46%	0.464	68%	0.682	S	S	.	*			trans	-60.6	166.1	-179.3	-83.8	79.7	-145.6	-117.1	5.8	115.8	T188 G189 E190	R130-T188 VanDerWaalsContact C-CB 3.5Å; R130-T188 VanDerWaalsContact CA-CB 3.46Å; R130-T188 WeakPolarHBondContact CA-O 3.09Å; R130-T188 WeakPolarHBondContact CD-O 3.38Å; R130-T188 WeakPolarHBondContact CG-O 3.38Å; R130-T188 PolarHBondContact N-O 3.34Å; R130-T188 PolarHBondContact NE-O 3.24Å; R130-G189 PolarHBondContact NE-O 3.39Å; R130-G189 PolarHBondContact NH2-O 3.11Å; R130-E190 HydrophobicContact CB-CB 3.95Å; R130-E190 HydrophobicContact CB-CG 4.18Å; R130-E190 WeakPolarHBondContact CB-OE1 3.07Å; R130-E190 HydrophobicContact CG-CB 3.51Å; R130-E190 HydrophobicContact CG-CG 3.84Å
131	I	23.9	Very low	25.5	Very low	110 Å²	110	130.8 Å²	130.8	56%	0.564	68%	0.682	S	S	*	*				-163.5	155.9	74.9	-66.2	-160.3	0	0	0	114.8	R185 T188 E190	I131-R185 WeakPolarHBondContact O-CG 3.45Å; I131-R185 PolarHBondContact O-NE 2.98Å; I131-T188 PolarHBondContact N-OG1 2.9Å; I131-E190 WeakPolarHBondContact CG1-OE1 3.26Å; I131-E190 WeakPolarHBondContact CG2-OE2 3.12Å
132	H	30	Very low	25.5	Very low	29 Å²	29	131.7 Å²	131.7	13%	0.134	68%	0.682	C	S	.	*			trans	-118.3	141.6	170.2	-112	-102.5	0	0	0	112.1	R185 E190 P192 I203	H132-R185 VanDerWaalsContact CD2-CB 3.41Å; H132-R185 WeakPolarHBondContact CD2-CB 3.5Å; H132-R185 VanDerWaalsContact CD2-CD 3.48Å; H132-R185 WeakPolarHBondContact CD2-CD 3.16Å; H132-R185 VanDerWaalsContact CD2-CG 3.46Å; H132-R185 WeakPolarHBondContact CD2-CG 3.41Å; H132-R185 VanDerWaalsContact CG-CD 3.48Å; H132-R185 PolarHBondContact ND1-NH1 2.98Å; H132-R185 WeakPolarHBondContact NE2-CB 3.49Å; H132-E190 HydrophobicContact CB-CB 4.2Å; H132-E190 PolarHBondContact N-OE2 3.41Å; H132-P192 HydrophobicContact CB-CG 3.28Å; H132-I203 PolarHBondContact CE1-O 3.16Å; H132-I203 WeakPolarHBondContact NE2-CG2 3.34Å
133	P	33.2	Very low	25.3	Very low	89 Å²	89	129.3 Å²	129.3	58%	0.578	68%	0.682	S	S	*	*				-149.4	177.8	118.9	34.6	-17.9	0	0	0	113.3	R185	P133-R185 VanDerWaalsContact CD-NH2 3.34Å; P133-R185 PolarHBondContact O-NH1 3.45Å; P133-R185 PolarHBondContact O-NH2 3.36Å
134	G	28.4	Very low	25.2	Very low	62 Å²	62	131.7 Å²	131.7	64%	0.639	69%	0.686	S	S	*	*			cis	170.4	160.4	-4.2	0	0	0	0	0	110
135	E	27.3	Very low	25.2	Very low	152 Å²	152	130.7 Å²	130.7	71%	0.71	68%	0.684	S	S	*	*			trans	-151.2	152	179.3	-67	-167	-117.6	0	0	109
136	K	29	Very low	25.2	Very low	173 Å²	173	132.6 Å²	132.6	75%	0.752	69%	0.686	S	S	*	*			cis	-156.1	153.5	5.4	-138.3	-170	-169.7	83.1	0	112
137	L	26.4	Very low	25.3	Very low	163 Å²	163	134.4 Å²	134.4	85%	0.853	68%	0.684	S	S	*	*			trans	43.7	99.9	153.1	-157.8	89.9	0	0	0	120.8
138	Y	22	Very low	25.5	Very low	231 Å²	231	137.6 Å²	137.6	91%	0.906	69%	0.688	S	S	*	*			trans	-155.7	174.3	134.7	-152.3	-106.5	0	0	0	110.6
139	K	26	Very low	25.5	Very low	193 Å²	193	133.8 Å²	133.8	84%	0.839	69%	0.688	S	S	*	*			trans	-109.6	137.9	-177.7	-74.5	-176.1	175	-176.9	0	113.5
140	S	21.8	Very low	26.1	Very low	116 Å²	116	134.2 Å²	134.2	81%	0.811	70%	0.703	S	S	*	*			trans	-159.6	168.5	136.7	65.6	0	0	0	0	110.3
141	T	23	Very low	26.2	Very low	112 Å²	112	137.4 Å²	137.4	69%	0.687	72%	0.723	S	S	*	*			trans	-70.5	171.5	167.4	48.2	0	0	0	0	110.6
142	E	23.4	Very low	27.2	Very low	169 Å²	169	139.1 Å²	139.1	79%	0.79	73%	0.733	S	S	*	*			cis	-158.1	155.3	25	-149.2	140.8	-94	0	0	115.1
143	C	21	Very low	27.3	Very low	114 Å²	114	143 Å²	143	77%	0.77	76%	0.759	S	S	*	*			trans	25.8	150.1	158.8	-128.1	0	0	0	0	126.6
144	M	22.7	Very low	27.6	Very low	176 Å²	176	147.7 Å²	147.7	87%	0.867	77%	0.773	S	S	*	*			trans	70.4	152	159.1	-60.6	-162.3	-72.2	0	0	120.6
145	A	23.8	Very low	28.3	Very low	71 Å²	71	152.1 Å²	152.1	59%	0.587	78%	0.777	S	S	*	*			cis	-168.5	160.2	-34.1	0	0	0	0	0	110.8
146	F	22.4	Very low	28.9	Very low	196 Å²	196	152.9 Å²	152.9	86%	0.86	78%	0.781	S	S	*	*			trans	62.6	167	170.8	-67.9	-97.7	0	0	0	119
147	K	27.6	Very low	29.4	Very low	148 Å²	148	152.8 Å²	152.8	64%	0.643	78%	0.783	S	S	*	*				-168.9	157.2	-52.9	-153.2	172.9	177.3	-175.7	0	109.8
148	Y	26.9	Very low	30.4	Very low	212 Å²	212	148.4 Å²	148.4	83%	0.831	76%	0.763	S	S	*	*			trans	65.7	155.8	176.2	-68.8	-84.9	0	0	0	116.4
149	G	24.8	Very low	31.7	Very low	66 Å²	66	147.4 Å²	147.4	68%	0.68	77%	0.766	S	S	*	*			cis	-158.5	-176.2	2.6	0	0	0	0	0	114.7
150	S	37.3	Very low	33	Very low	114 Å²	114	144.2 Å²	144.2	80%	0.797	76%	0.763	S	S	*	*			trans	-54.1	161.9	178.9	42.4	0	0	0	0	114.5
151	E	29.3	Very low	34.4	Very low	189 Å²	189	141.7 Å²	141.7	88%	0.883	76%	0.755	S	S	*	*			cis	-145	173.7	43.4	-66.1	-179.5	146.4	0	0	116.2
152	L	45.1	Very low	35.7	Very low	147 Å²	147	141.8 Å²	141.8	77%	0.77	75%	0.748	S	S	*	*			trans	-116.8	140.2	179.5	-110.1	121.6	0	0	0	111.9
153	T	32.7	Very low	37	Very low	111 Å²	111	141 Å²	141	68%	0.681	74%	0.742	S	S	*	*			trans	-175	139.1	155	21.3	0	0	0	0	108.3
154	Q	38.5	Very low	38.6	Very low	186 Å²	186	139 Å²	139	87%	0.869	72%	0.723	S	S	*	*			cis	-143.5	142.6	5.7	-178.7	-178.5	18	0	0	107.7
155	Q	43.3	Very low	40.1	Very low	155 Å²	155	135.4 Å²	135.4	72%	0.724	70%	0.701	S	S	*	*			trans	-91.5	150.9	179.3	-70.5	178	-8	0	0	111.6
156	Q	39.7	Very low	41.6	Very low	169 Å²	169	138 Å²	138	79%	0.79	70%	0.699	S	S	*	*			trans	-146.8	115.2	168.5	-147.6	176.4	21.1	0	0	108.2
157	E	40.5	Very low	42.9	Very low	170 Å²	170	128.8 Å²	128.8	79%	0.794	66%	0.659	S	S	*	*			trans	-82.2	161.3	-180	-61	-168.3	136.3	0	0	111.3
158	T	46.8	Very low	44.1	Very low	72 Å²	72	130.6 Å²	130.6	44%	0.442	67%	0.667	S	S	.	*			trans	-124.5	154.9	171	60.5	0	0	0	0	109.1	T160 G161	T158-T160 PolarHBondContact O-N 3.05Å; T158-G161 PolarHBondContact O-N 3.42Å
159	H	50.4	Low	45.1	Very low	210 Å²	210	126.9 Å²	126.9	97%	0.972	66%	0.657	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62	5.3	-174	-80.6	-74.6	0	0	0	116.1
160	T	52.2	Low	46.4	Very low	125 Å²	125	125.8 Å²	125.8	77%	0.767	64%	0.638	S	S	*	*	T	Hydrogen-bonded Turn	trans	-120	6.7	174.3	58.8	0	0	0	0	114.1	T158 E162	T158-T160 PolarHBondContact O-N 3.05Å; T160-E162 PolarHBondContact O-N 3.16Å
161	G	51.2	Low	47.2	Very low	64 Å²	64	123 Å²	123	66%	0.66	63%	0.627	S	S	*	*			trans	76.8	5.4	167.1	0	0	0	0	0	117.5	T158	T158-G161 PolarHBondContact O-N 3.42Å
162	E	50.4	Low	48.5	Very low	113 Å²	113	119.8 Å²	119.8	53%	0.528	61%	0.61	S	S	.	*			trans	-80.9	137.8	175.4	-71.5	-164.1	-175.2	0	0	112.7	T160 H175	T160-E162 PolarHBondContact O-N 3.16Å; E162-H175 IonicContact OE2-CE1 3.35Å; E162-H175 PolarHBondContact OE2-CE1 3.14Å; E162-H175 IonicContact OE2-ND1 2.74Å; E162-H175 PolarHBondContact OE2-ND1 3.35Å
163	K	50.2	Low	49	Very low	153 Å²	153	114.8 Å²	114.8	67%	0.665	59%	0.59	S	S	*	*			trans	-90.2	115.4	178.8	-65.8	-179	179.4	178.7	0	110.9
164	L	54.3	Low	50.6	Low	72 Å²	72	111.7 Å²	111.7	38%	0.377	57%	0.567	S	S	.	*	P	Polyproline II helix	trans	-103.1	135.1	173.7	-75.2	96.3	0	0	0	112.5	A173	L164-A173 HydrophobicContact CB-CB 4.37Å; L164-A173 HydrophobicContact CD2-CB 3.66Å
165	Y	55.6	Low	51.1	Low	100 Å²	100	108 Å²	108	39%	0.392	55%	0.55	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	116.1	176.8	-56.4	-92.1	0	0	0	109.6	A173 F174 F177	Y165-A173 CarbonylContact O-C 3.46Å; Y165-F174 PolarHBondContact N-O 3.4Å; Y165-F174 PolarHBondContact O-N 3.31Å; Y165-F177 HydrophobicContact CD1-CB 4.36Å; Y165-F177 AromaticContact CD1-CD2 3.99Å; Y165-F177 HydrophobicContact CD1-CD2 3.99Å; Y165-F177 HydrophobicContact CD2-CB 4.45Å; Y165-F177 HydrophobicContact CE1-CB 4.31Å; Y165-F177 HydrophobicContact CE1-CD2 4.36Å; Y165-F177 HydrophobicContact CE2-CB 4.42Å; Y165-F177 HydrophobicContact CG-CB 4.43Å; Y165-F177 HydrophobicContact CG-CD2 4.49Å
166	K	55.1	Low	51.6	Low	127 Å²	127	106.6 Å²	106.6	55%	0.552	54%	0.543	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.7	137.5	179.6	-73	175.7	-178.3	171.2	0	112	K172 A173	K166-K172 WeakPolarHBondContact CA-O 3.47Å; K166-A173 HydrophobicContact CG-CB 3.81Å
167	C	49.5	Very low	51.9	Low	2 Å²	2	104.2 Å²	104.2	1%	0.014	53%	0.53	C	S	.	.	P	Polyproline II helix	trans	-75.5	123.8	168.5	-172.8	0	0	0	0	110	E169 C170 G171 K172 F174 L180	C167-E169 VanDerWaalsContact C-N 3.32Å; C167-E169 PolarHBondContact O-N 2.99Å; C167-C170 VanDerWaalsContact CB-SG 3.6Å; C167-C170 VanDerWaalsContact SG-SG 3.68Å; C167-G171 WeakPolarHBondContact O-CA 3.38Å; C167-G171 PolarHBondContact O-N 2.92Å; C167-K172 PolarHBondContact N-O 2.71Å; C167-F174 HydrophobicContact CB-CE2 4.37Å; C167-L180 HydrophobicContact CB-CD1 3.45Å; C167-L180 VanDerWaalsContact CB-CD1 3.45Å
168	K	52.5	Low	52.4	Low	186 Å²	186	99.2 Å²	99.2	81%	0.809	51%	0.514	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.2	-26.2	-178.7	-72.7	-170.2	175.5	-177.1	0	113.7
169	E	47.3	Very low	52.6	Low	133 Å²	133	102.6 Å²	102.6	62%	0.621	52%	0.52	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.8	-31.6	-179.6	-68.1	-177	-173.3	0	0	114.5	C167 H187	C167-E169 VanDerWaalsContact C-N 3.32Å; C167-E169 PolarHBondContact O-N 2.99Å; E169-H187 VanDerWaalsContact OE2-CB 3.31Å; E169-H187 WeakPolarHBondContact OE2-CB 3.3Å; E169-H187 IonicContact OE2-CG 3.78Å; E169-H187 IonicContact OE2-ND1 3.78Å; E169-H187 PolarHBondContact OE2-ND1 2.62Å
170	C	53.4	Low	53	Low	44 Å²	44	93.1 Å²	93.1	30%	0.297	48%	0.476	S	S	.	.	T	Hydrogen-bonded Turn	trans	-129.2	4.7	-170.6	73.3	0	0	0	0	114.5	C167 K172 H183	C167-C170 VanDerWaalsContact CB-SG 3.6Å; C167-C170 VanDerWaalsContact SG-SG 3.68Å; C170-K172 PolarHBondContact O-N 3.29Å; C170-H183 PolarHBondContact SG-NE2 2.96Å
171	G	52.6	Low	53	Low	54 Å²	54	88.7 Å²	88.7	56%	0.557	45%	0.449	S	S	*	.			trans	69.3	-12.5	178	0	0	0	0	0	116.2	C167	C167-G171 WeakPolarHBondContact O-CA 3.38Å; C167-G171 PolarHBondContact O-N 2.92Å
172	K	56.7	Low	53.1	Low	122 Å²	122	91.1 Å²	91.1	53%	0.53	44%	0.441	S	S	.	.			trans	-64.8	135.9	-174.9	-68.3	176	-177.6	170.9	0	111.9	K166 C167 C170 F174	K166-K172 WeakPolarHBondContact CA-O 3.47Å; C167-K172 PolarHBondContact N-O 2.71Å; C170-K172 PolarHBondContact O-N 3.29Å; K172-F174 HydrophobicContact CB-CE2 3.76Å; K172-F174 HydrophobicContact CB-CZ 3.91Å; K172-F174 WeakPolarHBondContact O-CE2 3.33Å
173	A	56.7	Low	53.4	Low	43 Å²	43	87.2 Å²	87.2	36%	0.355	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	143	-178.5	0	0	0	0	0	111.9	L164 Y165 K166	L164-A173 HydrophobicContact CB-CB 4.37Å; L164-A173 HydrophobicContact CD2-CB 3.66Å; Y165-A173 CarbonylContact O-C 3.46Å; K166-A173 HydrophobicContact CG-CB 3.81Å
174	F	65.7	Low	53.5	Low	45 Å²	45	83.3 Å²	83.3	20%	0.197	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	135.5	-177	-59.8	-87.5	0	0	0	110.5	Y165 C167 K172 H176 L180 H183	Y165-F174 PolarHBondContact N-O 3.4Å; Y165-F174 PolarHBondContact O-N 3.31Å; C167-F174 HydrophobicContact CB-CE2 4.37Å; K172-F174 HydrophobicContact CB-CE2 3.76Å; K172-F174 HydrophobicContact CB-CZ 3.91Å; K172-F174 WeakPolarHBondContact O-CE2 3.33Å; F174-H176 PolarHBondContact O-N 3.45Å; F174-L180 HydrophobicContact CB-CB 4.3Å; F174-L180 HydrophobicContact CD2-CB 4.03Å; F174-L180 HydrophobicContact CD2-CD1 4.02Å; F174-L180 HydrophobicContact CE2-CD1 4.25Å; F174-L180 HydrophobicContact CG-CB 4.31Å; F174-H183 HydrophobicContact CE1-CB 4.3Å; F174-H183 HydrophobicContact CE2-CB 4.29Å; F174-H183 AromaticContact CE2-CD2 3.57Å; F174-H183 HydrophobicContact CZ-CB 3.84Å; F174-H183 AromaticContact CZ-CD2 3.26Å; F174-H183 WeakPolarHBondContact CZ-CD2 3.44Å; F174-H183 AromaticContact CZ-CG 3.65Å
175	H	48.4	Very low	53.5	Low	109 Å²	109	81.9 Å²	81.9	51%	0.505	40%	0.397	S	S	.	.	S	Bend	trans	-78.2	-3.9	-178.9	-62.8	-116.9	0	0	0	113.4	E162	E162-H175 IonicContact OE2-CE1 3.35Å; E162-H175 PolarHBondContact OE2-CE1 3.14Å; E162-H175 IonicContact OE2-ND1 2.74Å; E162-H175 PolarHBondContact OE2-ND1 3.35Å
176	H	54.7	Low	53.4	Low	125 Å²	125	83 Å²	83	58%	0.579	41%	0.409	S	S	*	.	S	Bend	trans	-143.9	131.1	175.5	-100.3	-81.9	0	0	0	110.9	F174 S178 Y179 L180	F174-H176 PolarHBondContact O-N 3.45Å; H176-S178 VanDerWaalsContact C-N 3.26Å; H176-S178 PolarHBondContact O-N 2.9Å; H176-Y179 HydrophobicContact CB-CD2 3.73Å; H176-Y179 HydrophobicContact CB-CE2 4.14Å; H176-Y179 PolarHBondContact O-N 2.82Å; H176-L180 PolarHBondContact O-N 2.89Å
177	F	46.4	Very low	53.1	Low	120 Å²	120	81.3 Å²	81.3	53%	0.526	40%	0.402	S	S	.	.	H	α-helix	trans	-56.3	-34.5	-178.1	-174.6	-107	0	0	0	113.9	Y165 Y179 L180 V181	Y165-F177 HydrophobicContact CD1-CB 4.36Å; Y165-F177 AromaticContact CD1-CD2 3.99Å; Y165-F177 HydrophobicContact CD1-CD2 3.99Å; Y165-F177 HydrophobicContact CD2-CB 4.45Å; Y165-F177 HydrophobicContact CE1-CB 4.31Å; Y165-F177 HydrophobicContact CE1-CD2 4.36Å; Y165-F177 HydrophobicContact CE2-CB 4.42Å; Y165-F177 HydrophobicContact CG-CB 4.43Å; Y165-F177 HydrophobicContact CG-CD2 4.49Å; F177-Y179 VanDerWaalsContact C-N 3.26Å; F177-Y179 PolarHBondContact O-N 3.08Å; F177-L180 HydrophobicContact CD2-CD2 4.33Å; F177-L180 WeakPolarHBondContact O-CB 3.39Å; F177-L180 PolarHBondContact O-N 3.23Å; F177-V181 HydrophobicContact CD1-CG2 4.04Å; F177-V181 HydrophobicContact CE1-CG2 3.67Å; F177-V181 HydrophobicContact CE2-CG2 4.4Å; F177-V181 HydrophobicContact CZ-CG2 3.87Å; F177-V181 WeakPolarHBondContact O-CG2 3.23Å; F177-V181 PolarHBondContact O-N 3.1Å
178	S	50.2	Low	53.1	Low	65 Å²	65	82.6 Å²	82.6	46%	0.455	41%	0.41	S	S	.	.	H	α-helix	trans	-64.3	-25.6	177.9	54.5	0	0	0	0	114.1	H176 K182	H176-S178 VanDerWaalsContact C-N 3.26Å; H176-S178 PolarHBondContact O-N 2.9Å; S178-K182 WeakPolarHBondContact O-CG 3.26Å; S178-K182 PolarHBondContact O-N 3.39Å
179	Y	52.2	Low	53	Low	143 Å²	143	74.5 Å²	74.5	56%	0.561	38%	0.379	S	S	*	.	H	α-helix	trans	-83.2	-35.1	172.9	-63.7	-62	0	0	0	112.4	H176 F177 K182 H183	H176-Y179 HydrophobicContact CB-CD2 3.73Å; H176-Y179 HydrophobicContact CB-CE2 4.14Å; H176-Y179 PolarHBondContact O-N 2.82Å; F177-Y179 VanDerWaalsContact C-N 3.26Å; F177-Y179 PolarHBondContact O-N 3.08Å; Y179-K182 PolarHBondContact O-N 2.94Å; Y179-H183 WeakPolarHBondContact O-CB 3.49Å; Y179-H183 PolarHBondContact O-N 2.89Å
180	L	57.3	Low	53.2	Low	11 Å²	11	70.7 Å²	70.7	6%	0.058	36%	0.361	C	S	.	.	H	α-helix	trans	-58.2	-48.7	170	169.2	58.5	0	0	0	110.5	C167 F174 H176 F177 K182 H183 Q184	C167-L180 HydrophobicContact CB-CD1 3.45Å; C167-L180 VanDerWaalsContact CB-CD1 3.45Å; F174-L180 HydrophobicContact CB-CB 4.3Å; F174-L180 HydrophobicContact CD2-CB 4.03Å; F174-L180 HydrophobicContact CD2-CD1 4.02Å; F174-L180 HydrophobicContact CE2-CD1 4.25Å; F174-L180 HydrophobicContact CG-CB 4.31Å; H176-L180 PolarHBondContact O-N 2.89Å; F177-L180 HydrophobicContact CD2-CD2 4.33Å; F177-L180 WeakPolarHBondContact O-CB 3.39Å; F177-L180 PolarHBondContact O-N 3.23Å; L180-K182 PolarHBondContact O-N 3.19Å; L180-H183 WeakPolarHBondContact O-CB 3.4Å; L180-H183 PolarHBondContact O-N 2.92Å; L180-Q184 HydrophobicContact CD1-CG 4.01Å; L180-Q184 WeakPolarHBondContact O-CG 3.33Å; L180-Q184 PolarHBondContact O-N 3.06Å
181	V	52.9	Low	53.2	Low	31 Å²	31	74.7 Å²	74.7	19%	0.188	37%	0.374	C	S	.	.	H	α-helix	trans	-60.5	-44.8	177.1	170.8	0	0	0	0	111.5	F177 H183 Q184 R185	F177-V181 HydrophobicContact CD1-CG2 4.04Å; F177-V181 HydrophobicContact CE1-CG2 3.67Å; F177-V181 HydrophobicContact CE2-CG2 4.4Å; F177-V181 HydrophobicContact CZ-CG2 3.87Å; F177-V181 WeakPolarHBondContact O-CG2 3.23Å; F177-V181 PolarHBondContact O-N 3.1Å; V181-H183 VanDerWaalsContact C-N 3.28Å; V181-H183 PolarHBondContact O-N 2.95Å; V181-Q184 PolarHBondContact O-N 3.11Å; V181-R185 WeakPolarHBondContact O-CB 3.46Å; V181-R185 WeakPolarHBondContact O-CD 3.29Å; V181-R185 VanDerWaalsContact O-CG 3.27Å; V181-R185 WeakPolarHBondContact O-CG 3.49Å; V181-R185 PolarHBondContact O-N 2.98Å; V181-R185 VanDerWaalsContact O-N 3.11Å
182	K	53.7	Low	52.9	Low	116 Å²	116	74.9 Å²	74.9	50%	0.504	37%	0.365	S	S	.	.	H	α-helix	trans	-62.5	-30.9	173.3	-79.1	178.6	177.5	178.7	0	113.3	S178 Y179 L180	S178-K182 WeakPolarHBondContact O-CG 3.26Å; S178-K182 PolarHBondContact O-N 3.39Å; Y179-K182 PolarHBondContact O-N 2.94Å; L180-K182 PolarHBondContact O-N 3.19Å
183	H	56.5	Low	52.5	Low	31 Å²	31	70.9 Å²	70.9	14%	0.144	35%	0.352	C	S	.	.	H	α-helix	trans	-75.3	-47.6	176.9	-176.7	38.3	0	0	0	112	C170 F174 Y179 L180 V181 R185 I186 H187	C170-H183 PolarHBondContact SG-NE2 2.96Å; F174-H183 HydrophobicContact CE1-CB 4.3Å; F174-H183 HydrophobicContact CE2-CB 4.29Å; F174-H183 AromaticContact CE2-CD2 3.57Å; F174-H183 HydrophobicContact CZ-CB 3.84Å; F174-H183 AromaticContact CZ-CD2 3.26Å; F174-H183 WeakPolarHBondContact CZ-CD2 3.44Å; F174-H183 AromaticContact CZ-CG 3.65Å; Y179-H183 WeakPolarHBondContact O-CB 3.49Å; Y179-H183 PolarHBondContact O-N 2.89Å; L180-H183 WeakPolarHBondContact O-CB 3.4Å; L180-H183 PolarHBondContact O-N 2.92Å; V181-H183 VanDerWaalsContact C-N 3.28Å; V181-H183 PolarHBondContact O-N 2.95Å; H183-R185 PolarHBondContact O-N 2.89Å; H183-I186 WeakPolarHBondContact O-CB 3.26Å; H183-I186 PolarHBondContact O-N 3.44Å; H183-H187 AromaticContact CE1-NE2 3.53Å; H183-H187 AromaticContact NE2-NE2 3.7Å
184	Q	51.3	Low	52.1	Low	71 Å²	71	71.9 Å²	71.9	33%	0.332	36%	0.361	S	S	.	.	H	α-helix	trans	-52.8	-39.9	174.2	-72	172.8	-67.8	0	0	110.7	L180 V181 I186 H187 T188	L180-Q184 HydrophobicContact CD1-CG 4.01Å; L180-Q184 WeakPolarHBondContact O-CG 3.33Å; L180-Q184 PolarHBondContact O-N 3.06Å; V181-Q184 PolarHBondContact O-N 3.11Å; Q184-I186 PolarHBondContact O-N 2.96Å; Q184-H187 WeakPolarHBondContact O-CA 3.39Å; Q184-H187 WeakPolarHBondContact O-CB 3.35Å; Q184-H187 PolarHBondContact O-N 3.34Å; Q184-T188 WeakPolarHBondContact O-CG2 3.43Å; Q184-T188 PolarHBondContact O-N 3.34Å
185	R	54.6	Low	51.1	Low	41 Å²	41	70.2 Å²	70.2	16%	0.155	35%	0.354	C	S	.	.	H	α-helix	trans	-58.8	-14.7	176.4	-79.1	159.7	-179.3	-160.9	3.9	116.9	I131 H132 P133 V181 H183 T188 G189	I131-R185 WeakPolarHBondContact O-CG 3.45Å; I131-R185 PolarHBondContact O-NE 2.98Å; H132-R185 VanDerWaalsContact CD2-CB 3.41Å; H132-R185 WeakPolarHBondContact CD2-CB 3.5Å; H132-R185 VanDerWaalsContact CD2-CD 3.48Å; H132-R185 WeakPolarHBondContact CD2-CD 3.16Å; H132-R185 VanDerWaalsContact CD2-CG 3.46Å; H132-R185 WeakPolarHBondContact CD2-CG 3.41Å; H132-R185 VanDerWaalsContact CG-CD 3.48Å; H132-R185 PolarHBondContact ND1-NH1 2.98Å; H132-R185 WeakPolarHBondContact NE2-CB 3.49Å; P133-R185 VanDerWaalsContact CD-NH2 3.34Å; P133-R185 PolarHBondContact O-NH1 3.45Å; P133-R185 PolarHBondContact O-NH2 3.36Å; V181-R185 WeakPolarHBondContact O-CB 3.46Å; V181-R185 WeakPolarHBondContact O-CD 3.29Å; V181-R185 VanDerWaalsContact O-CG 3.27Å; V181-R185 WeakPolarHBondContact O-CG 3.49Å; V181-R185 PolarHBondContact O-N 2.98Å; V181-R185 VanDerWaalsContact O-N 3.11Å; H183-R185 PolarHBondContact O-N 2.89Å; R185-T188 WeakPolarHBondContact CA-OG1 3.5Å; R185-G189 VanDerWaalsContact O-CA 3.28Å; R185-G189 WeakPolarHBondContact O-CA 3.32Å; R185-G189 PolarHBondContact O-N 3.23Å
186	I	53	Low	51	Low	125 Å²	125	75.1 Å²	75.1	64%	0.641	37%	0.374	S	S	*	.	H	α-helix	trans	-80.6	-37.8	171.4	-60.2	166.9	0	0	0	110.6	H183 Q184	H183-I186 WeakPolarHBondContact O-CB 3.26Å; H183-I186 PolarHBondContact O-N 3.44Å; Q184-I186 PolarHBondContact O-N 2.96Å
187	H	48.7	Very low	50.6	Low	91 Å²	91	76.5 Å²	76.5	42%	0.421	38%	0.381	S	S	.	.	H	α-helix	trans	-70.2	-43.1	173.2	-63.5	-107.8	0	0	0	110.7	E169 H183 Q184	E169-H187 VanDerWaalsContact OE2-CB 3.31Å; E169-H187 WeakPolarHBondContact OE2-CB 3.3Å; E169-H187 IonicContact OE2-CG 3.78Å; E169-H187 IonicContact OE2-ND1 3.78Å; E169-H187 PolarHBondContact OE2-ND1 2.62Å; H183-H187 AromaticContact CE1-NE2 3.53Å; H183-H187 AromaticContact NE2-NE2 3.7Å; Q184-H187 WeakPolarHBondContact O-CA 3.39Å; Q184-H187 WeakPolarHBondContact O-CB 3.35Å; Q184-H187 PolarHBondContact O-N 3.34Å
188	T	50.9	Low	50.9	Low	29 Å²	29	78.1 Å²	78.1	18%	0.178	39%	0.385	C	S	.	.	H	α-helix	trans	-73.7	-47.2	179.3	79.6	0	0	0	0	111.2	H129 R130 I131 Q184 R185	H129-T188 WeakPolarHBondContact O-CA 3.28Å; H129-T188 WeakPolarHBondContact O-CB 3.48Å; H129-T188 WeakPolarHBondContact O-CG2 3.15Å; R130-T188 VanDerWaalsContact C-CB 3.5Å; R130-T188 VanDerWaalsContact CA-CB 3.46Å; R130-T188 WeakPolarHBondContact CA-O 3.09Å; R130-T188 WeakPolarHBondContact CD-O 3.38Å; R130-T188 WeakPolarHBondContact CG-O 3.38Å; R130-T188 PolarHBondContact N-O 3.34Å; R130-T188 PolarHBondContact NE-O 3.24Å; I131-T188 PolarHBondContact N-OG1 2.9Å; Q184-T188 WeakPolarHBondContact O-CG2 3.43Å; Q184-T188 PolarHBondContact O-N 3.34Å; R185-T188 WeakPolarHBondContact CA-OG1 3.5Å
189	G	50.3	Low	50.7	Low	15 Å²	15	78.8 Å²	78.8	16%	0.155	40%	0.401	C	S	.	.			trans	96.9	27.6	157.1	0	0	0	0	0	118.3	R130 R185	R130-G189 PolarHBondContact NE-O 3.39Å; R130-G189 PolarHBondContact NH2-O 3.11Å; R185-G189 VanDerWaalsContact O-CA 3.28Å; R185-G189 WeakPolarHBondContact O-CA 3.32Å; R185-G189 PolarHBondContact O-N 3.23Å
190	E	50.3	Low	50.6	Low	53 Å²	53	78 Å²	78	25%	0.248	40%	0.401	C	S	.	.			trans	-87.9	156.7	-171.9	-155.6	173.7	-100.6	0	0	115.2	R130 I131 H132	R130-E190 HydrophobicContact CB-CB 3.95Å; R130-E190 HydrophobicContact CB-CG 4.18Å; R130-E190 WeakPolarHBondContact CB-OE1 3.07Å; R130-E190 HydrophobicContact CG-CB 3.51Å; R130-E190 HydrophobicContact CG-CG 3.84Å; I131-E190 WeakPolarHBondContact CG1-OE1 3.26Å; I131-E190 WeakPolarHBondContact CG2-OE2 3.12Å; H132-E190 HydrophobicContact CB-CB 4.2Å; H132-E190 PolarHBondContact N-OE2 3.41Å
191	K	53.5	Low	50.1	Low	128 Å²	128	79.6 Å²	79.6	56%	0.557	42%	0.415	S	S	*	.			trans	-127.5	87.5	-172.9	-65.9	178.8	175.1	-174.3	0	112.3	A201 F202 I203	K191-A201 HydrophobicContact CB-CB 4.05Å; K191-F202 CarbonylContact C-O 3.53Å; K191-I203 HydrophobicContact CG-CG1 3.91Å
192	P	47.8	Very low	50.3	Low	59 Å²	59	80.1 Å²	80.1	38%	0.383	42%	0.415	S	S	.	.			trans	-84.7	-14.6	-168.3	-12.4	30.2	0	0	0	115.4	H132 F202	H132-P192 HydrophobicContact CB-CG 3.28Å; P192-F202 WeakPolarHBondContact CD-O 3.38Å
193	C	47.3	Very low	49.7	Very low	37 Å²	37	78.9 Å²	78.9	25%	0.25	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	99.1	-170.5	-58.7	0	0	0	0	110	A201 F202 L208	C193-A201 WeakPolarHBondContact O-CA 3.48Å; C193-F202 PolarHBondContact N-O 3.38Å; C193-F202 VanDerWaalsContact N-O 3.14Å; C193-F202 PolarHBondContact O-N 2.88Å; C193-L208 HydrophobicContact CB-CD2 4.42Å
194	A	48.1	Very low	49.2	Very low	65 Å²	65	79.3 Å²	79.3	54%	0.537	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	137.3	-178.1	0	0	0	0	0	113	A201	A194-A201 HydrophobicContact CB-CB 4.14Å
195	C	44.4	Very low	49	Very low	10 Å²	10	77.3 Å²	77.3	7%	0.068	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	112.9	166.3	-172.5	0	0	0	0	108.9	E197 G199 K200 L208	C195-E197 PolarHBondContact O-N 3.35Å; C195-G199 PolarHBondContact O-N 2.55Å; C195-K200 PolarHBondContact N-O 3.09Å; C195-L208 HydrophobicContact CB-CD1 3.68Å
196	K	47.8	Very low	48.6	Very low	212 Å²	212	78.8 Å²	78.8	92%	0.922	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.5	-29.2	-175.6	-75.7	-169.1	173.8	-174	0	114
197	E	46.3	Very low	48.3	Very low	154 Å²	154	77.8 Å²	77.8	72%	0.72	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75	-30.7	-178.3	-65.2	173.5	142.4	0	0	113.5	C195	C195-E197 PolarHBondContact O-N 3.35Å
198	Y	51.2	Low	48.2	Very low	154 Å²	154	74.8 Å²	74.8	60%	0.604	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-123.4	17.6	-171	-58.7	-81.1	0	0	0	114	K200	Y198-K200 WeakPolarHBondContact O-CG 3.47Å; Y198-K200 PolarHBondContact O-N 3.03Å
199	G	47.5	Very low	48.1	Very low	78 Å²	78	77.9 Å²	77.9	80%	0.804	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.5	17.1	167.9	0	0	0	0	0	116.9	C195	C195-G199 PolarHBondContact O-N 2.55Å
200	K	49.3	Very low	47.9	Very low	128 Å²	128	83 Å²	83	56%	0.557	45%	0.448	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118.6	134.9	-171.6	-74.8	170.4	-174	172.1	0	112.8	C195 Y198 F202	C195-K200 PolarHBondContact N-O 3.09Å; Y198-K200 WeakPolarHBondContact O-CG 3.47Å; Y198-K200 PolarHBondContact O-N 3.03Å; K200-F202 HydrophobicContact CB-CE2 4.17Å; K200-F202 HydrophobicContact CB-CZ 4.19Å
201	A	46.8	Very low	47.8	Very low	43 Å²	43	82.9 Å²	82.9	36%	0.355	45%	0.448	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	140.5	-178.4	0	0	0	0	0	112.9	K191 C193 A194	K191-A201 HydrophobicContact CB-CB 4.05Å; C193-A201 WeakPolarHBondContact O-CA 3.48Å; A194-A201 HydrophobicContact CB-CB 4.14Å
202	F	56.6	Low	47.3	Very low	43 Å²	43	81.6 Å²	81.6	19%	0.189	44%	0.444	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	154.8	-170.3	-56.5	-89.1	0	0	0	111.6	K191 P192 C193 K200 H207 L208 H211	K191-F202 CarbonylContact C-O 3.53Å; P192-F202 WeakPolarHBondContact CD-O 3.38Å; C193-F202 PolarHBondContact N-O 3.38Å; C193-F202 VanDerWaalsContact N-O 3.14Å; C193-F202 PolarHBondContact O-N 2.88Å; K200-F202 HydrophobicContact CB-CE2 4.17Å; K200-F202 HydrophobicContact CB-CZ 4.19Å; F202-H207 HydrophobicContact CD1-CB 4.28Å; F202-L208 HydrophobicContact CD2-CB 4.21Å; F202-L208 HydrophobicContact CD2-CD1 4.14Å; F202-L208 HydrophobicContact CE2-CD1 4Å; F202-H211 HydrophobicContact CZ-CB 4.25Å; F202-H211 AromaticContact CZ-CD2 3.78Å
203	I	42.1	Very low	47.4	Very low	89 Å²	89	86.5 Å²	86.5	46%	0.456	46%	0.459	S	S	.	.	S	Bend	trans	-80.9	-18.9	-176.6	-56.3	171.3	0	0	0	111.7	H132 K191	H132-I203 PolarHBondContact CE1-O 3.16Å; H132-I203 WeakPolarHBondContact NE2-CG2 3.34Å; K191-I203 HydrophobicContact CG-CG1 3.91Å
204	S	44.5	Very low	47	Very low	40 Å²	40	91.2 Å²	91.2	28%	0.28	48%	0.479	S	S	.	.	S	Bend	trans	-148.5	146	173.5	65.9	0	0	0	0	112.7	S206 H207	S204-S206 PolarHBondContact O-N 3.03Å; S204-S206 PolarHBondContact OG-OG 2.9Å; S204-H207 PolarHBondContact O-N 3.05Å; S204-H207 PolarHBondContact OG-CE1 2.9Å; S204-H207 PolarHBondContact OG-ND1 3.46Å
205	G	47	Very low	46.8	Very low	29 Å²	29	97.2 Å²	97.2	30%	0.299	49%	0.489	S	S	.	.	H	α-helix	trans	-62.3	-21.6	179	0	0	0	0	0	114.6	H207 L208 I209	G205-H207 VanDerWaalsContact C-N 3.3Å; G205-H207 PolarHBondContact O-N 3.07Å; G205-L208 PolarHBondContact O-N 2.96Å; G205-I209 WeakPolarHBondContact O-CG1 3.3Å; G205-I209 PolarHBondContact O-N 3.42Å
206	S	47.7	Very low	46.6	Very low	73 Å²	73	102.4 Å²	102.4	51%	0.51	52%	0.521	S	S	.	.	H	α-helix	trans	-58.3	-40.3	173.4	56.7	0	0	0	0	112.7	S204 Q210	S204-S206 PolarHBondContact O-N 3.03Å; S204-S206 PolarHBondContact OG-OG 2.9Å; S206-Q210 PolarHBondContact O-N 2.78Å; S206-Q210 VanDerWaalsContact O-N 3.13Å
207	H	46.7	Very low	46	Very low	104 Å²	104	97.3 Å²	97.3	48%	0.481	50%	0.503	S	S	.	.	H	α-helix	trans	-76.4	-30.7	179.7	-62.6	116	0	0	0	112.2	F202 S204 G205 Q210 H211	F202-H207 HydrophobicContact CD1-CB 4.28Å; S204-H207 PolarHBondContact O-N 3.05Å; S204-H207 PolarHBondContact OG-CE1 2.9Å; S204-H207 PolarHBondContact OG-ND1 3.46Å; G205-H207 VanDerWaalsContact C-N 3.3Å; G205-H207 PolarHBondContact O-N 3.07Å; H207-Q210 PolarHBondContact O-N 3.4Å; H207-H211 WeakPolarHBondContact O-CB 3.43Å; H207-H211 PolarHBondContact O-N 3.34Å
208	L	45.4	Very low	45.3	Very low	28 Å²	28	99.7 Å²	99.7	15%	0.147	52%	0.515	C	S	.	.	H	α-helix	trans	-64.9	-46.5	172.2	176.7	57.9	0	0	0	111.3	C193 C195 F202 G205 Q210 H211 Q212	C193-L208 HydrophobicContact CB-CD2 4.42Å; C195-L208 HydrophobicContact CB-CD1 3.68Å; F202-L208 HydrophobicContact CD2-CB 4.21Å; F202-L208 HydrophobicContact CD2-CD1 4.14Å; F202-L208 HydrophobicContact CE2-CD1 4Å; G205-L208 PolarHBondContact O-N 2.96Å; L208-Q210 PolarHBondContact O-N 3.32Å; L208-H211 WeakPolarHBondContact O-CB 3.35Å; L208-H211 PolarHBondContact O-N 3.27Å; L208-Q212 HydrophobicContact CD1-CG 4.32Å; L208-Q212 WeakPolarHBondContact O-CG 3.38Å; L208-Q212 PolarHBondContact O-N 3.37Å
209	I	50.5	Low	44.2	Very low	93 Å²	93	101.6 Å²	101.6	48%	0.477	52%	0.521	S	S	.	.	H	α-helix	trans	-62.1	-33.9	175.4	-67	166.5	0	0	0	111.3	G205 K213	G205-I209 WeakPolarHBondContact O-CG1 3.3Å; G205-I209 PolarHBondContact O-N 3.42Å; I209-K213 HydrophobicContact CG2-CD 4.27Å; I209-K213 WeakPolarHBondContact O-CB 3.33Å; I209-K213 VanDerWaalsContact O-CG 3.3Å; I209-K213 WeakPolarHBondContact O-CG 3.25Å; I209-K213 PolarHBondContact O-N 3.43Å
210	Q	45.8	Very low	43.8	Very low	123 Å²	123	102.8 Å²	102.8	58%	0.575	51%	0.514	S	S	*	.	H	α-helix	trans	-72.8	-38.2	175.6	-168.5	169.8	-3.9	0	0	112.3	S206 H207 L208 K213	S206-Q210 PolarHBondContact O-N 2.78Å; S206-Q210 VanDerWaalsContact O-N 3.13Å; H207-Q210 PolarHBondContact O-N 3.4Å; L208-Q210 PolarHBondContact O-N 3.32Å; Q210-K213 PolarHBondContact O-N 2.92Å
211	H	47	Very low	42.7	Very low	50 Å²	50	104.8 Å²	104.8	23%	0.231	53%	0.525	C	S	.	.	H	α-helix	trans	-63.1	-46.6	173.9	-175.3	-78.5	0	0	0	111.8	F202 H207 L208 K213 M214	F202-H211 HydrophobicContact CZ-CB 4.25Å; F202-H211 AromaticContact CZ-CD2 3.78Å; H207-H211 WeakPolarHBondContact O-CB 3.43Å; H207-H211 PolarHBondContact O-N 3.34Å; L208-H211 WeakPolarHBondContact O-CB 3.35Å; L208-H211 PolarHBondContact O-N 3.27Å; H211-K213 PolarHBondContact O-N 2.76Å; H211-M214 PolarHBondContact O-N 2.75Å
212	Q	44	Very low	41.6	Very low	101 Å²	101	110.7 Å²	110.7	47%	0.472	55%	0.546	S	S	.	.	H	α-helix	trans	-64.2	-25.9	178.2	-70.9	178.2	-63.3	0	0	113	L208	L208-Q212 HydrophobicContact CD1-CG 4.32Å; L208-Q212 WeakPolarHBondContact O-CG 3.38Å; L208-Q212 PolarHBondContact O-N 3.37Å
213	K	50	Low	40	Very low	162 Å²	162	112.7 Å²	112.7	70%	0.704	56%	0.564	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.7	2.2	176.9	-74.4	179.7	177.2	-173.2	0	115	I209 Q210 H211	I209-K213 HydrophobicContact CG2-CD 4.27Å; I209-K213 WeakPolarHBondContact O-CB 3.33Å; I209-K213 VanDerWaalsContact O-CG 3.3Å; I209-K213 WeakPolarHBondContact O-CG 3.25Å; I209-K213 PolarHBondContact O-N 3.43Å; Q210-K213 PolarHBondContact O-N 2.92Å; H211-K213 PolarHBondContact O-N 2.76Å
214	M	38	Very low	39.4	Very low	137 Å²	137	117.4 Å²	117.4	68%	0.675	58%	0.584	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.9	-3.9	178.4	-75.2	-155.9	69.2	0	0	114.7	H211	H211-M214 PolarHBondContact O-N 2.75Å
215	Y	44.4	Very low	39.2	Very low	191 Å²	191	123.9 Å²	123.9	75%	0.749	61%	0.61	S	S	*	*	S	Bend	trans	-126.3	35.6	-179.1	-70.8	-79	0	0	0	112.8
216	T	40.4	Very low	38.2	Very low	118 Å²	118	126 Å²	126	72%	0.724	62%	0.62	S	S	*	*			trans	-134.9	67	169.9	59.2	0	0	0	0	109.1
217	D	35.1	Very low	37.4	Very low	105 Å²	105	128 Å²	128	56%	0.561	63%	0.629	S	S	*	*			trans	-135.4	55.1	178.8	-162.8	30.8	0	0	0	109.7	R219	D217-R219 PolarHBondContact O-N 2.98Å; D217-R219 VanDerWaalsContact O-N 3.17Å; D217-R219 WeakPolarHBondContact OD1-CG 3.42Å; D217-R219 IonicContact OD1-NE 3.36Å; D217-R219 IonicContact OD2-CZ 3.31Å; D217-R219 IonicContact OD2-NE 3.98Å; D217-R219 PolarHBondContact OD2-NE 3.19Å; D217-R219 IonicContact OD2-NH2 3.59Å; D217-R219 PolarHBondContact OD2-NH2 3.28Å
218	E	31.9	Very low	36.5	Very low	205 Å²	205	131.9 Å²	131.9	96%	0.958	65%	0.645	S	S	*	*			trans	-67.8	107.6	156.4	-80.7	-160	152.8	0	0	107.8
219	R	27.1	Very low	35.7	Very low	193 Å²	193	134.8 Å²	134.8	73%	0.728	67%	0.672	S	S	*	*			trans	-95.4	166.8	-178.8	-72.8	-176.2	-179.4	-169.7	3.2	111.3	D217	D217-R219 PolarHBondContact O-N 2.98Å; D217-R219 VanDerWaalsContact O-N 3.17Å; D217-R219 WeakPolarHBondContact OD1-CG 3.42Å; D217-R219 IonicContact OD1-NE 3.36Å; D217-R219 IonicContact OD2-CZ 3.31Å; D217-R219 IonicContact OD2-NE 3.98Å; D217-R219 PolarHBondContact OD2-NE 3.19Å; D217-R219 IonicContact OD2-NH2 3.59Å; D217-R219 PolarHBondContact OD2-NH2 3.28Å
220	P	38.8	Very low	34.6	Very low	103 Å²	103	140.3 Å²	140.3	67%	0.669	69%	0.693	S	S	*	*			cis	-123.8	-169.5	-19.8	31.7	-13.5	0	0	0	110.6	E222	P220-E222 HydrophobicContact CG-CG 4.27Å
221	H	26.8	Very low	33.9	Very low	170 Å²	170	145.5 Å²	145.5	79%	0.787	71%	0.708	S	S	*	*			trans	-79.5	116.5	144.9	-122.3	-45.8	0	0	0	108.1
222	E	23.9	Very low	33.4	Very low	168 Å²	168	147.4 Å²	147.4	79%	0.785	73%	0.725	S	S	*	*			trans	-100.2	157.7	142	-71.6	-155	141.7	0	0	109.6	P220	P220-E222 HydrophobicContact CG-CG 4.27Å
223	C	23.5	Very low	33.3	Very low	85 Å²	85	146.2 Å²	146.2	57%	0.574	73%	0.727	S	S	*	*			trans	-146.9	109.9	161.5	176.4	0	0	0	0	103	E225 S226	C223-E225 PolarHBondContact SG-N 3.33Å; C223-S226 PolarHBondContact SG-N 3.3Å; C223-S226 VanDerWaalsContact SG-N 3.42Å; C223-S226 PolarHBondContact SG-OG 3.41Å
224	Q	29	Very low	33.1	Very low	187 Å²	187	142.3 Å²	142.3	87%	0.874	73%	0.725	S	S	*	*	S	Bend		-63.3	140.1	71	-69.6	175.8	-103.7	0	0	117.8
225	E	41	Very low	33.5	Very low	176 Å²	176	142.9 Å²	142.9	82%	0.822	73%	0.726	S	S	*	*			trans	58.6	52.6	164.6	-52.6	-150.4	167.4	0	0	119.2	C223 V227	C223-E225 PolarHBondContact SG-N 3.33Å; E225-V227 PolarHBondContact O-N 2.93Å
226	S	26.1	Very low	33.5	Very low	73 Å²	73	138.1 Å²	138.1	51%	0.51	71%	0.713	S	S	.	*			trans	-83.5	92	164.4	64.1	0	0	0	0	112.9	C223 K228	C223-S226 PolarHBondContact SG-N 3.3Å; C223-S226 VanDerWaalsContact SG-N 3.42Å; C223-S226 PolarHBondContact SG-OG 3.41Å; S226-K228 PolarHBondContact O-N 3.12Å
227	V	29.7	Very low	34	Very low	117 Å²	117	135.8 Å²	135.8	71%	0.709	70%	0.695	S	S	*	*			trans	-76.1	104.9	173.7	177.5	0	0	0	0	111.5	E225	E225-V227 PolarHBondContact O-N 2.93Å
228	K	28.2	Very low	34.6	Very low	185 Å²	185	134.6 Å²	134.6	80%	0.804	69%	0.686	S	S	*	*			trans	69.9	123.2	170.6	-56.6	161.7	-173.9	169.4	0	114.4	S226	S226-K228 PolarHBondContact O-N 3.12Å
229	A	29.1	Very low	35.1	Very low	88 Å²	88	129.6 Å²	129.6	73%	0.727	66%	0.663	S	S	*	*			cis	91.5	124.6	25.5	0	0	0	0	0	115.9
230	F	26.8	Very low	35.6	Very low	209 Å²	209	128.3 Å²	128.3	92%	0.917	66%	0.658	S	S	*	*			trans	-137.9	168.4	170.8	-83.4	-74	0	0	0	112.7
231	R	31.9	Very low	36.2	Very low	232 Å²	232	126.4 Å²	126.4	88%	0.875	64%	0.637	S	S	*	*	P	Polyproline II helix	trans	-78.1	145.2	-144.2	-64.9	178.4	175.6	169.8	-2.3	116.4
232	P	36.8	Very low	37	Very low	91 Å²	91	124 Å²	124	59%	0.591	63%	0.629	S	S	*	*	P	Polyproline II helix	trans	-82.1	142.4	171.9	-5.7	23.8	0	0	0	113.5	I237	P232-I237 HydrophobicContact CB-CD1 3.98Å; P232-I237 HydrophobicContact CB-CG1 3.67Å
233	S	41.8	Very low	37.5	Very low	75 Å²	75	122.8 Å²	122.8	52%	0.524	62%	0.623	S	S	.	*	P	Polyproline II helix	trans	-92.9	152.9	158.1	170.3	0	0	0	0	110.1	H235 L236 I237	S233-H235 VanDerWaalsContact C-N 3.28Å; S233-H235 PolarHBondContact O-N 2.9Å; S233-L236 WeakPolarHBondContact O-CA 3.46Å; S233-L236 WeakPolarHBondContact O-CB 3.4Å; S233-L236 PolarHBondContact O-N 2.9Å; S233-I237 PolarHBondContact O-N 3.08Å
234	A	44.6	Very low	38.5	Very low	80 Å²	80	122.7 Å²	122.7	66%	0.661	62%	0.62	S	S	*	*	H	α-helix	trans	-56.5	-38.2	-178.9	0	0	0	0	0	113.4	L236 I237 Q238	A234-L236 VanDerWaalsContact C-N 3.31Å; A234-L236 PolarHBondContact O-N 2.91Å; A234-I237 PolarHBondContact O-N 3.17Å; A234-Q238 PolarHBondContact O-N 3.32Å
235	H	46.1	Very low	39.4	Very low	150 Å²	150	115.8 Å²	115.8	69%	0.694	60%	0.6	S	S	*	*	H	α-helix	trans	-62.4	-37.8	172.1	-99	141.2	0	0	0	112.3	S233 Q238 H239	S233-H235 VanDerWaalsContact C-N 3.28Å; S233-H235 PolarHBondContact O-N 2.9Å; H235-Q238 PolarHBondContact O-N 3.44Å; H235-H239 WeakPolarHBondContact O-CB 3.29Å; H235-H239 PolarHBondContact O-N 3.29Å
236	L	44.4	Very low	39.8	Very low	90 Å²	90	110.9 Å²	110.9	47%	0.471	58%	0.579	S	S	.	*	H	α-helix	trans	-71.2	-34.7	178.9	-161.4	71.8	0	0	0	111.4	S233 A234 H239 W240	S233-L236 WeakPolarHBondContact O-CA 3.46Å; S233-L236 WeakPolarHBondContact O-CB 3.4Å; S233-L236 PolarHBondContact O-N 2.9Å; A234-L236 VanDerWaalsContact C-N 3.31Å; A234-L236 PolarHBondContact O-N 2.91Å; L236-H239 PolarHBondContact O-N 2.99Å; L236-W240 WeakPolarHBondContact O-CB 3.4Å; L236-W240 PolarHBondContact O-N 3.46Å
237	I	51.4	Low	41.4	Very low	69 Å²	69	112.4 Å²	112.4	35%	0.354	58%	0.576	S	S	.	*	H	α-helix	trans	-63.9	-47.3	171.3	-61.4	173	0	0	0	110.4	P232 S233 A234 H239 W240 R241	P232-I237 HydrophobicContact CB-CD1 3.98Å; P232-I237 HydrophobicContact CB-CG1 3.67Å; S233-I237 PolarHBondContact O-N 3.08Å; A234-I237 PolarHBondContact O-N 3.17Å; I237-H239 VanDerWaalsContact C-N 3.26Å; I237-H239 PolarHBondContact O-N 2.84Å; I237-W240 PolarHBondContact O-N 3.3Å; I237-R241 WeakPolarHBondContact O-CG 3.22Å; I237-R241 PolarHBondContact O-N 3.23Å
238	Q	48.2	Very low	42.9	Very low	81 Å²	81	110 Å²	110	38%	0.379	56%	0.563	S	S	.	*	H	α-helix	trans	-62.3	-34.6	177.7	-169.3	178.2	5	0	0	112.1	A234 H235	A234-Q238 PolarHBondContact O-N 3.32Å; H235-Q238 PolarHBondContact O-N 3.44Å
239	H	42.1	Very low	44.7	Very low	100 Å²	100	106 Å²	106	46%	0.463	54%	0.544	S	S	.	.	H	α-helix	trans	-70.2	-44.1	172.1	-171.3	-83.8	0	0	0	112.3	H235 L236 I237 R241 I242 H243	H235-H239 WeakPolarHBondContact O-CB 3.29Å; H235-H239 PolarHBondContact O-N 3.29Å; L236-H239 PolarHBondContact O-N 2.99Å; I237-H239 VanDerWaalsContact C-N 3.26Å; I237-H239 PolarHBondContact O-N 2.84Å; H239-R241 VanDerWaalsContact C-N 3.3Å; H239-R241 PolarHBondContact O-N 3.27Å; H239-I242 WeakPolarHBondContact O-CB 3.45Å; H239-I242 PolarHBondContact O-N 3.34Å; H239-H243 AromaticContact CE1-CD2 3.59Å; H239-H243 AromaticContact CE1-NE2 3.26Å; H239-H243 PolarHBondContact CE1-NE2 2.91Å; H239-H243 VanDerWaalsContact CE1-NE2 3.26Å; H239-H243 AromaticContact ND1-CD2 3.73Å; H239-H243 AromaticContact ND1-NE2 3.9Å
240	W	36.9	Very low	46	Very low	166 Å²	166	107.2 Å²	107.2	63%	0.629	53%	0.534	S	S	*	.	H	α-helix	trans	-58.8	-40.3	177.7	-108.3	71.5	0	0	0	112.3	L236 I237 I242 H243 T244	L236-W240 WeakPolarHBondContact O-CB 3.4Å; L236-W240 PolarHBondContact O-N 3.46Å; I237-W240 PolarHBondContact O-N 3.3Å; W240-I242 PolarHBondContact O-N 3.34Å; W240-I242 VanDerWaalsContact O-N 3.14Å; W240-H243 WeakPolarHBondContact O-CA 3.33Å; W240-H243 PolarHBondContact O-N 3.31Å; W240-T244 HydrophobicContact CE3-CG2 3.49Å; W240-T244 VanDerWaalsContact CE3-CG2 3.49Å; W240-T244 HydrophobicContact CZ3-CG2 3.73Å; W240-T244 PolarHBondContact O-N 3.15Å; W240-T244 PolarHBondContact O-OG1 3.36Å
241	R	51.9	Low	47.8	Very low	62 Å²	62	97.3 Å²	97.3	23%	0.234	49%	0.491	C	S	.	.	H	α-helix	trans	-56.5	-25.6	174	-76.9	-178.2	173.9	145.8	7.8	114.4	I237 H239 G245 D246 T259	I237-R241 WeakPolarHBondContact O-CG 3.22Å; I237-R241 PolarHBondContact O-N 3.23Å; H239-R241 VanDerWaalsContact C-N 3.3Å; H239-R241 PolarHBondContact O-N 3.27Å; R241-G245 WeakPolarHBondContact O-CA 3.48Å; R241-G245 PolarHBondContact O-N 2.93Å; R241-G245 VanDerWaalsContact O-N 3.12Å; R241-D246 WeakPolarHBondContact CB-O 3.26Å; R241-D246 HydrophobicContact CG-CB 4.05Å; R241-D246 WeakPolarHBondContact CG-OD2 3.47Å; R241-D246 IonicContact CZ-OD2 3.54Å; R241-D246 IonicContact NE-OD2 3.38Å; R241-D246 PolarHBondContact NE-OD2 3.29Å; R241-D246 IonicContact NH2-OD2 3.19Å; R241-T259 HydrophobicContact CB-CG2 4.15Å
242	I	43.7	Very low	49.1	Very low	119 Å²	119	96.1 Å²	96.1	61%	0.61	49%	0.492	S	S	*	.	H	α-helix	trans	-74.5	-29.7	174.8	-57.2	170.6	0	0	0	111	H239 W240	H239-I242 WeakPolarHBondContact O-CB 3.45Å; H239-I242 PolarHBondContact O-N 3.34Å; W240-I242 PolarHBondContact O-N 3.34Å; W240-I242 VanDerWaalsContact O-N 3.14Å
243	H	35.3	Very low	49.9	Very low	143 Å²	143	97.6 Å²	97.6	66%	0.662	49%	0.491	S	S	*	.	H	α-helix	trans	-91.6	-37.8	-179.9	-72.7	-83.9	0	0	0	113.7	H239 W240	H239-H243 AromaticContact CE1-CD2 3.59Å; H239-H243 AromaticContact CE1-NE2 3.26Å; H239-H243 PolarHBondContact CE1-NE2 2.91Å; H239-H243 VanDerWaalsContact CE1-NE2 3.26Å; H239-H243 AromaticContact ND1-CD2 3.73Å; H239-H243 AromaticContact ND1-NE2 3.9Å; W240-H243 WeakPolarHBondContact O-CA 3.33Å; W240-H243 PolarHBondContact O-N 3.31Å
244	T	42.8	Very low	50.6	Low	83 Å²	83	96 Å²	96	51%	0.509	48%	0.479	S	S	.	.	H	α-helix	trans	-82.2	-17.4	175.7	57.8	0	0	0	0	113.3	W240 D246	W240-T244 HydrophobicContact CE3-CG2 3.49Å; W240-T244 VanDerWaalsContact CE3-CG2 3.49Å; W240-T244 HydrophobicContact CZ3-CG2 3.73Å; W240-T244 PolarHBondContact O-N 3.15Å; W240-T244 PolarHBondContact O-OG1 3.36Å; T244-D246 PolarHBondContact O-N 3.23Å
245	G	48.4	Very low	51.1	Low	43 Å²	43	94.3 Å²	94.3	44%	0.443	47%	0.47	S	S	.	.			trans	77.6	4.7	-176.1	0	0	0	0	0	114.7	R241 K247	R241-G245 WeakPolarHBondContact O-CA 3.48Å; R241-G245 PolarHBondContact O-N 2.93Å; R241-G245 VanDerWaalsContact O-N 3.12Å; G245-K247 VanDerWaalsContact O-CE 3.31Å; G245-K247 WeakPolarHBondContact O-CE 3.33Å; G245-K247 WeakPolarHBondContact O-CG 3.28Å
246	D	48.9	Very low	51.6	Low	72 Å²	72	92.1 Å²	92.1	39%	0.385	46%	0.458	S	S	.	.			trans	-61.7	128.4	176.2	168.6	40.8	0	0	0	111.7	R241 T244	R241-D246 WeakPolarHBondContact CB-O 3.26Å; R241-D246 HydrophobicContact CG-CB 4.05Å; R241-D246 WeakPolarHBondContact CG-OD2 3.47Å; R241-D246 IonicContact CZ-OD2 3.54Å; R241-D246 IonicContact NE-OD2 3.38Å; R241-D246 PolarHBondContact NE-OD2 3.29Å; R241-D246 IonicContact NH2-OD2 3.19Å; T244-D246 PolarHBondContact O-N 3.23Å
247	K	60.3	Low	52.2	Low	106 Å²	106	90 Å²	90	46%	0.461	45%	0.451	S	S	.	.			trans	-141.4	81.5	-171.1	-74.8	177.4	-128.3	163.3	0	111.2	G245 Y249 S257 F258 T259	G245-K247 VanDerWaalsContact O-CE 3.31Å; G245-K247 WeakPolarHBondContact O-CE 3.33Å; G245-K247 WeakPolarHBondContact O-CG 3.28Å; K247-Y249 VanDerWaalsContact C-N 3.26Å; K247-Y249 PolarHBondContact O-N 2.88Å; K247-S257 WeakPolarHBondContact CD-O 3.1Å; K247-S257 VanDerWaalsContact O-CB 3.23Å; K247-S257 WeakPolarHBondContact O-CB 3.46Å; K247-F258 CarbonylContact C-O 3.57Å; K247-F258 VanDerWaalsContact CA-O 3.29Å; K247-F258 WeakPolarHBondContact CA-O 3.39Å; K247-T259 HydrophobicContact CG-CG2 3.79Å
248	P	62.3	Low	52.9	Low	67 Å²	67	88.9 Å²	88.9	44%	0.435	44%	0.444	S	S	.	.			trans	-70.6	-12.2	-171.8	-22.1	34.4	0	0	0	116
249	Y	64.2	Low	53.1	Low	101 Å²	101	86.9 Å²	86.9	40%	0.396	44%	0.437	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	89.9	-170.2	-62.1	-82	0	0	0	111.1	K247 S257 F258	K247-Y249 VanDerWaalsContact C-N 3.26Å; K247-Y249 PolarHBondContact O-N 2.88Å; Y249-S257 CarbonylContact O-C 3.09Å; Y249-S257 WeakPolarHBondContact O-CA 3.48Å; Y249-F258 PolarHBondContact N-O 3.38Å; Y249-F258 VanDerWaalsContact N-O 3.14Å; Y249-F258 PolarHBondContact O-N 2.87Å
250	E	56.4	Low	54	Low	113 Å²	113	82.9 Å²	82.9	53%	0.528	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	131.9	-177.5	-166.7	175.1	157	0	0	114.3	K252 G255	E250-K252 PolarHBondContact O-N 2.61Å; E250-G255 WeakPolarHBondContact OE1-CA 3.27Å
251	C	64.7	Low	55.1	Low	0 Å²	0	75.9 Å²	75.9	0%	0	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	101.1	170.8	-175.1	0	0	0	0	110.8	E253 C254 G255 K256 F258 L264 H271	C251-E253 PolarHBondContact O-N 3.32Å; C251-C254 PolarHBondContact O-N 3.23Å; C251-G255 PolarHBondContact O-N 3.18Å; C251-K256 WeakPolarHBondContact CB-O 3.48Å; C251-K256 PolarHBondContact N-O 3.46Å; C251-F258 HydrophobicContact CB-CE2 4.4Å; C251-L264 HydrophobicContact CB-CD1 3.52Å; C251-H271 VanDerWaalsContact SG-CD2 3.5Å
252	K	59.3	Low	55.5	Low	208 Å²	208	77 Å²	77	90%	0.904	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55	-22.5	-179	-65.1	-172.5	176.3	-174.3	0	114.9	E250	E250-K252 PolarHBondContact O-N 2.61Å
253	E	54.8	Low	56.2	Low	122 Å²	122	73.6 Å²	73.6	57%	0.57	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82	-18.6	179.7	-62.7	172.7	114.8	0	0	113.8	C251 H271	C251-E253 PolarHBondContact O-N 3.32Å; E253-H271 WeakPolarHBondContact OE2-CB 3.34Å; E253-H271 IonicContact OE2-CD2 2.8Å; E253-H271 PolarHBondContact OE2-CD2 3.29Å; E253-H271 VanDerWaalsContact OE2-CD2 3.28Å; E253-H271 IonicContact OE2-CG 3.66Å
254	C	56.3	Low	57.7	Low	41 Å²	41	67.7 Å²	67.7	28%	0.277	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-149.9	14.5	-178.5	78.6	0	0	0	0	116.7	C251 K256 H267 H271	C251-C254 PolarHBondContact O-N 3.23Å; C254-K256 PolarHBondContact O-N 2.77Å; C254-K256 PolarHBondContact SG-NZ 3.1Å; C254-K256 VanDerWaalsContact SG-NZ 3.39Å; C254-H267 PolarHBondContact SG-NE2 2.93Å; C254-H271 WeakPolarHBondContact CB-NE2 3.37Å; C254-H271 PolarHBondContact SG-NE2 3.07Å
255	G	53.9	Low	58.6	Low	45 Å²	45	68.5 Å²	68.5	46%	0.464	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.7	20.3	174.9	0	0	0	0	0	114.9	E250 C251	E250-G255 WeakPolarHBondContact OE1-CA 3.27Å; C251-G255 PolarHBondContact O-N 3.18Å
256	K	57.1	Low	59.2	Low	103 Å²	103	70.9 Å²	70.9	45%	0.448	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	118.3	-178.7	-71.5	-179	-162.7	123.8	0	110.7	C251 C254 F258	C251-K256 WeakPolarHBondContact CB-O 3.48Å; C251-K256 PolarHBondContact N-O 3.46Å; C254-K256 PolarHBondContact O-N 2.77Å; C254-K256 PolarHBondContact SG-NZ 3.1Å; C254-K256 VanDerWaalsContact SG-NZ 3.39Å; K256-F258 HydrophobicContact CB-CE2 3.68Å; K256-F258 HydrophobicContact CB-CZ 4.09Å; K256-F258 VanDerWaalsContact O-CD2 3.23Å; K256-F258 WeakPolarHBondContact O-CD2 3.43Å; K256-F258 WeakPolarHBondContact O-CE2 3.42Å
257	S	56.3	Low	59.8	Low	46 Å²	46	68.4 Å²	68.4	32%	0.322	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	142.1	179.7	-21.7	0	0	0	0	112	K247 Y249	K247-S257 WeakPolarHBondContact CD-O 3.1Å; K247-S257 VanDerWaalsContact O-CB 3.23Å; K247-S257 WeakPolarHBondContact O-CB 3.46Å; Y249-S257 CarbonylContact O-C 3.09Å; Y249-S257 WeakPolarHBondContact O-CA 3.48Å
258	F	66.8	Low	59.9	Low	45 Å²	45	66.6 Å²	66.6	20%	0.197	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	157.7	-173.9	-66.9	-92.3	0	0	0	112.2	K247 Y249 C251 K256 L264 H267	K247-F258 CarbonylContact C-O 3.57Å; K247-F258 VanDerWaalsContact CA-O 3.29Å; K247-F258 WeakPolarHBondContact CA-O 3.39Å; Y249-F258 PolarHBondContact N-O 3.38Å; Y249-F258 VanDerWaalsContact N-O 3.14Å; Y249-F258 PolarHBondContact O-N 2.87Å; C251-F258 HydrophobicContact CB-CE2 4.4Å; K256-F258 HydrophobicContact CB-CE2 3.68Å; K256-F258 HydrophobicContact CB-CZ 4.09Å; K256-F258 VanDerWaalsContact O-CD2 3.23Å; K256-F258 WeakPolarHBondContact O-CD2 3.43Å; K256-F258 WeakPolarHBondContact O-CE2 3.42Å; F258-L264 HydrophobicContact CB-CB 4.3Å; F258-L264 HydrophobicContact CD2-CB 4.24Å; F258-L264 HydrophobicContact CD2-CD1 3.91Å; F258-L264 HydrophobicContact CE2-CD1 4.24Å; F258-L264 HydrophobicContact CG-CB 4.37Å; F258-H267 HydrophobicContact CE1-CB 3.98Å; F258-H267 HydrophobicContact CE2-CB 3.97Å; F258-H267 AromaticContact CE2-CD2 3.19Å; F258-H267 WeakPolarHBondContact CE2-CD2 3.47Å; F258-H267 AromaticContact CE2-CG 3.7Å; F258-H267 HydrophobicContact CZ-CB 3.55Å; F258-H267 AromaticContact CZ-CD2 3.22Å; F258-H267 WeakPolarHBondContact CZ-CD2 3.47Å; F258-H267 AromaticContact CZ-CG 3.29Å; F258-H267 AromaticContact CZ-NE2 3.91Å
259	T	52.9	Low	59.9	Low	39 Å²	39	66.1 Å²	66.1	24%	0.239	35%	0.348	C	S	.	.	S	Bend	trans	-85	-20.1	-177.8	53.8	0	0	0	0	113.9	R241 K247	R241-T259 HydrophobicContact CB-CG2 4.15Å; K247-T259 HydrophobicContact CG-CG2 3.79Å
260	S	61.5	Low	59.5	Low	16 Å²	16	66.5 Å²	66.5	11%	0.112	36%	0.355	C	S	.	.	S	Bend	trans	-142.2	144.6	172	71.1	0	0	0	0	112.1	S262 T263 L264	S260-S262 PolarHBondContact O-N 3.39Å; S260-S262 PolarHBondContact OG-OG 3.05Å; S260-T263 PolarHBondContact O-N 2.84Å; S260-T263 PolarHBondContact O-OG1 3.12Å; S260-T263 PolarHBondContact OG-OG1 2.94Å; S260-L264 PolarHBondContact O-N 2.65Å
261	G	58.3	Low	59.2	Low	20 Å²	20	65 Å²	65	21%	0.206	35%	0.348	C	S	.	.	H	α-helix	trans	-56.7	-32.5	176.9	0	0	0	0	0	113.7	T263 L264 N265	G261-T263 VanDerWaalsContact C-N 3.27Å; G261-T263 PolarHBondContact O-N 2.95Å; G261-L264 WeakPolarHBondContact O-CB 3.29Å; G261-L264 PolarHBondContact O-N 3.47Å; G261-L264 VanDerWaalsContact O-N 3.12Å; G261-N265 PolarHBondContact O-N 3.31Å; G261-N265 PolarHBondContact O-OD1 2.93Å; G261-N265 VanDerWaalsContact O-OD1 3.08Å
262	S	61.2	Low	58.8	Low	86 Å²	86	68.9 Å²	68.9	60%	0.601	37%	0.372	S	S	*	.	H	α-helix	trans	-58.8	-35.6	173	50.4	0	0	0	0	113.6	S260 Q266	S260-S262 PolarHBondContact O-N 3.39Å; S260-S262 PolarHBondContact OG-OG 3.05Å; S262-Q266 PolarHBondContact O-N 3.02Å
263	T	58.9	Low	58.5	Low	47 Å²	47	60.8 Å²	60.8	29%	0.288	35%	0.347	S	S	.	.	H	α-helix	trans	-81.1	-26.8	175.3	59.4	0	0	0	0	113.1	S260 G261 H267	S260-T263 PolarHBondContact O-N 2.84Å; S260-T263 PolarHBondContact O-OG1 3.12Å; S260-T263 PolarHBondContact OG-OG1 2.94Å; G261-T263 VanDerWaalsContact C-N 3.27Å; G261-T263 PolarHBondContact O-N 2.95Å; T263-H267 WeakPolarHBondContact O-CB 3.46Å; T263-H267 PolarHBondContact O-N 3.19Å; T263-H267 VanDerWaalsContact O-N 3.09Å
264	L	66.4	Low	58.6	Low	18 Å²	18	60.5 Å²	60.5	9%	0.094	35%	0.346	C	S	.	.	H	α-helix	trans	-66.5	-46.9	169	173.4	59.9	0	0	0	111.1	C251 F258 S260 G261 Q266 H267 Q268	C251-L264 HydrophobicContact CB-CD1 3.52Å; F258-L264 HydrophobicContact CB-CB 4.3Å; F258-L264 HydrophobicContact CD2-CB 4.24Å; F258-L264 HydrophobicContact CD2-CD1 3.91Å; F258-L264 HydrophobicContact CE2-CD1 4.24Å; F258-L264 HydrophobicContact CG-CB 4.37Å; S260-L264 PolarHBondContact O-N 2.65Å; G261-L264 WeakPolarHBondContact O-CB 3.29Å; G261-L264 PolarHBondContact O-N 3.47Å; G261-L264 VanDerWaalsContact O-N 3.12Å; L264-Q266 VanDerWaalsContact C-N 3.33Å; L264-Q266 PolarHBondContact O-N 2.8Å; L264-H267 CarbonylContact O-C 3.51Å; L264-H267 WeakPolarHBondContact O-CA 3.45Å; L264-H267 VanDerWaalsContact O-CB 3.31Å; L264-H267 WeakPolarHBondContact O-CB 3.36Å; L264-H267 PolarHBondContact O-N 3.02Å; L264-Q268 HydrophobicContact CD1-CG 4.07Å; L264-Q268 HydrophobicContact CG-CG 4.43Å; L264-Q268 WeakPolarHBondContact O-CG 3.22Å; L264-Q268 PolarHBondContact O-N 2.91Å
265	N	62.1	Low	58.7	Low	100 Å²	100	63.5 Å²	63.5	54%	0.535	35%	0.354	S	S	.	.	H	α-helix	trans	-61.8	-41.8	178.5	-67.1	19.3	0	0	0	111.4	G261 H267 Q268 Q269	G261-N265 PolarHBondContact O-N 3.31Å; G261-N265 PolarHBondContact O-OD1 2.93Å; G261-N265 VanDerWaalsContact O-OD1 3.08Å; N265-H267 PolarHBondContact O-N 2.94Å; N265-Q268 PolarHBondContact O-N 2.88Å; N265-Q269 PolarHBondContact O-N 3.33Å
266	Q	60.3	Low	59	Low	93 Å²	93	64.8 Å²	64.8	44%	0.435	35%	0.354	S	S	.	.	H	α-helix	trans	-62.6	-28	172.5	-166.3	-169.5	4.1	0	0	112.6	S262 L264 V288	S262-Q266 PolarHBondContact O-N 3.02Å; L264-Q266 VanDerWaalsContact C-N 3.33Å; L264-Q266 PolarHBondContact O-N 2.8Å; Q266-V288 HydrophobicContact CG-CG2 4.11Å
267	H	61.9	Low	59.3	Low	20 Å²	20	65 Å²	65	9%	0.093	35%	0.353	C	S	.	.	H	α-helix	trans	-79.2	-38.3	175.3	178.6	45.3	0	0	0	113	C254 F258 T263 L264 N265 Q269 I270	C254-H267 PolarHBondContact SG-NE2 2.93Å; F258-H267 HydrophobicContact CE1-CB 3.98Å; F258-H267 HydrophobicContact CE2-CB 3.97Å; F258-H267 AromaticContact CE2-CD2 3.19Å; F258-H267 WeakPolarHBondContact CE2-CD2 3.47Å; F258-H267 AromaticContact CE2-CG 3.7Å; F258-H267 HydrophobicContact CZ-CB 3.55Å; F258-H267 AromaticContact CZ-CD2 3.22Å; F258-H267 WeakPolarHBondContact CZ-CD2 3.47Å; F258-H267 AromaticContact CZ-CG 3.29Å; F258-H267 AromaticContact CZ-NE2 3.91Å; T263-H267 WeakPolarHBondContact O-CB 3.46Å; T263-H267 PolarHBondContact O-N 3.19Å; T263-H267 VanDerWaalsContact O-N 3.09Å; L264-H267 CarbonylContact O-C 3.51Å; L264-H267 WeakPolarHBondContact O-CA 3.45Å; L264-H267 VanDerWaalsContact O-CB 3.31Å; L264-H267 WeakPolarHBondContact O-CB 3.36Å; L264-H267 PolarHBondContact O-N 3.02Å; N265-H267 PolarHBondContact O-N 2.94Å; H267-Q269 PolarHBondContact O-N 3.02Å; H267-I270 WeakPolarHBondContact O-CB 3.35Å; H267-I270 WeakPolarHBondContact O-CG1 3.44Å; H267-I270 PolarHBondContact O-N 3Å
268	Q	61.5	Low	59.3	Low	69 Å²	69	68.3 Å²	68.3	32%	0.322	36%	0.363	S	S	.	.	H	α-helix	trans	-62.3	-30.8	179.1	-73.4	169.6	-56.4	0	0	112.5	L264 N265 I270 H271 T272	L264-Q268 HydrophobicContact CD1-CG 4.07Å; L264-Q268 HydrophobicContact CG-CG 4.43Å; L264-Q268 WeakPolarHBondContact O-CG 3.22Å; L264-Q268 PolarHBondContact O-N 2.91Å; N265-Q268 PolarHBondContact O-N 2.88Å; Q268-I270 PolarHBondContact O-N 2.82Å; Q268-H271 PolarHBondContact O-N 2.88Å; Q268-T272 PolarHBondContact O-N 3.35Å; Q268-T272 VanDerWaalsContact O-N 3.12Å
269	Q	62.2	Low	58.8	Low	57 Å²	57	66.2 Å²	66.2	27%	0.266	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-12.2	169.3	-69.8	179.6	-21.5	0	0	114.4	N265 H267 G273 T287	N265-Q269 PolarHBondContact O-N 3.33Å; H267-Q269 PolarHBondContact O-N 3.02Å; Q269-G273 PolarHBondContact O-N 3.07Å; Q269-T287 HydrophobicContact CB-CG2 4.17Å
270	I	55.9	Low	58.8	Low	108 Å²	108	74.8 Å²	74.8	55%	0.554	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.1	-28.5	171.7	-53.4	-176.9	0	0	0	111.1	H267 Q268	H267-I270 WeakPolarHBondContact O-CB 3.35Å; H267-I270 WeakPolarHBondContact O-CG1 3.44Å; H267-I270 PolarHBondContact O-N 3Å; Q268-I270 PolarHBondContact O-N 2.82Å
271	H	51.8	Low	58.3	Low	83 Å²	83	80.4 Å²	80.4	38%	0.384	41%	0.413	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.8	-44.2	178.6	-60.1	-53.1	0	0	0	112.3	C251 E253 C254 Q268 G273	C251-H271 VanDerWaalsContact SG-CD2 3.5Å; E253-H271 WeakPolarHBondContact OE2-CB 3.34Å; E253-H271 IonicContact OE2-CD2 2.8Å; E253-H271 PolarHBondContact OE2-CD2 3.29Å; E253-H271 VanDerWaalsContact OE2-CD2 3.28Å; E253-H271 IonicContact OE2-CG 3.66Å; C254-H271 WeakPolarHBondContact CB-NE2 3.37Å; C254-H271 PolarHBondContact SG-NE2 3.07Å; Q268-H271 PolarHBondContact O-N 2.88Å; H271-G273 PolarHBondContact O-N 2.78Å
272	T	55.8	Low	57.9	Low	81 Å²	81	81.9 Å²	81.9	50%	0.497	42%	0.419	S	S	.	.	S	Bend	trans	-66.4	-15.9	172.5	66.6	0	0	0	0	112.7	Q268 E274	Q268-T272 PolarHBondContact O-N 3.35Å; Q268-T272 VanDerWaalsContact O-N 3.12Å; T272-E274 PolarHBondContact O-N 3.29Å; T272-E274 VanDerWaalsContact O-N 3.17Å; T272-E274 WeakPolarHBondContact OG1-CG 3.42Å; T272-E274 PolarHBondContact OG1-OE2 2.84Å
273	G	53.5	Low	57.4	Low	37 Å²	37	80.7 Å²	80.7	38%	0.381	42%	0.421	S	S	.	.			trans	74.8	-5.6	-179.1	0	0	0	0	0	114.5	Q269 H271 K275	Q269-G273 PolarHBondContact O-N 3.07Å; H271-G273 PolarHBondContact O-N 2.78Å; G273-K275 PolarHBondContact O-N 3.41Å
274	E	55.6	Low	57	Low	117 Å²	117	84.3 Å²	84.3	55%	0.547	43%	0.433	S	S	.	.			trans	-61.6	124.9	-176.9	-68.2	-178.2	132.3	0	0	111.9	T272	T272-E274 PolarHBondContact O-N 3.29Å; T272-E274 VanDerWaalsContact O-N 3.17Å; T272-E274 WeakPolarHBondContact OG1-CG 3.42Å; T272-E274 PolarHBondContact OG1-OE2 2.84Å
275	K	57.8	Low	56.4	Low	103 Å²	103	85.5 Å²	85.5	45%	0.448	44%	0.442	S	S	.	.			trans	-134.4	71.7	-178.3	-71.2	159.9	-169.5	158.8	0	109.3	G273 Y277 H278 S285 F286 T287	G273-K275 PolarHBondContact O-N 3.41Å; K275-Y277 PolarHBondContact O-N 3.32Å; K275-H278 PolarHBondContact O-CE1 3.06Å; K275-H278 VanDerWaalsContact O-CE1 3.23Å; K275-H278 PolarHBondContact O-NE2 3.25Å; K275-S285 VanDerWaalsContact CB-CB 3.42Å; K275-F286 CarbonylContact C-O 3.58Å; K275-F286 WeakPolarHBondContact CA-O 3.32Å; K275-T287 HydrophobicContact CG-CG2 4.07Å
276	P	61.8	Low	56.7	Low	72 Å²	72	82.9 Å²	82.9	47%	0.468	43%	0.426	S	S	.	.			trans	-61.5	-18.7	-164.9	-24.5	35.4	0	0	0	114.9	H278	P276-H278 PolarHBondContact O-CD2 3.29Å; P276-H278 PolarHBondContact O-N 3.08Å
277	Y	62.7	Low	56.3	Low	109 Å²	109	80.2 Å²	80.2	43%	0.427	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	89.4	-174.3	-57	-77.9	0	0	0	110.4	K275 F286 T287 G289	K275-Y277 PolarHBondContact O-N 3.32Å; Y277-F286 WeakPolarHBondContact CB-O 3.18Å; Y277-F286 PolarHBondContact N-O 2.88Å; Y277-F286 VanDerWaalsContact N-O 3.12Å; Y277-F286 PolarHBondContact O-N 2.82Å; Y277-T287 WeakPolarHBondContact CE2-O 3.49Å; Y277-G289 VanDerWaalsContact CD2-N 3.29Å
278	H	55.5	Low	56.4	Low	114 Å²	114	81.3 Å²	81.3	53%	0.528	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	132.7	-177.1	-56.7	-77.3	0	0	0	113.6	K275 P276 K280 S285	K275-H278 PolarHBondContact O-CE1 3.06Å; K275-H278 VanDerWaalsContact O-CE1 3.23Å; K275-H278 PolarHBondContact O-NE2 3.25Å; P276-H278 PolarHBondContact O-CD2 3.29Å; P276-H278 PolarHBondContact O-N 3.08Å; H278-K280 PolarHBondContact O-N 3.1Å; H278-S285 WeakPolarHBondContact ND1-CB 3.47Å; H278-S285 PolarHBondContact ND1-OG 3.34Å
279	C	56.8	Low	56	Low	2 Å²	2	78.7 Å²	78.7	1%	0.014	42%	0.416	C	S	.	.			trans	-85.3	100.4	171.9	-172.5	0	0	0	0	111.3	Q281 C282 G283 K284 F286 L292 H299	C279-Q281 PolarHBondContact O-N 3.44Å; C279-C282 PolarHBondContact O-N 2.98Å; C279-C282 VanDerWaalsContact O-N 3.11Å; C279-C282 VanDerWaalsContact SG-SG 3.7Å; C279-G283 PolarHBondContact O-N 3.28Å; C279-K284 WeakPolarHBondContact CB-O 3.32Å; C279-K284 PolarHBondContact N-O 3.03Å; C279-F286 HydrophobicContact CB-CE2 4.34Å; C279-L292 HydrophobicContact CB-CD1 3.6Å; C279-H299 VanDerWaalsContact SG-CD2 3.56Å; C279-H299 PolarHBondContact SG-NE2 3.35Å; C279-H299 VanDerWaalsContact SG-NE2 3.43Å
280	K	54	Low	55.9	Low	218 Å²	218	79.9 Å²	79.9	95%	0.948	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52	-25.5	179	-64.3	-170.5	178	-173.9	0	114.6	H278	H278-K280 PolarHBondContact O-N 3.1Å
281	Q	50.3	Low	56	Low	135 Å²	135	76.5 Å²	76.5	63%	0.631	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.5	-14.6	-177.5	-111.1	170.4	-25.6	0	0	115.3	C279	C279-Q281 PolarHBondContact O-N 3.44Å
282	C	49.5	Very low	56.5	Low	50 Å²	50	73.4 Å²	73.4	34%	0.338	40%	0.401	S	S	.	.	T	Hydrogen-bonded Turn	trans	-153.3	12.6	-178.2	71.2	0	0	0	0	115.6	C279 K284 H295 H299	C279-C282 PolarHBondContact O-N 2.98Å; C279-C282 VanDerWaalsContact O-N 3.11Å; C279-C282 VanDerWaalsContact SG-SG 3.7Å; C282-K284 PolarHBondContact O-N 2.94Å; C282-H295 PolarHBondContact SG-NE2 3.17Å; C282-H299 PolarHBondContact SG-CE1 3.4Å; C282-H299 PolarHBondContact SG-NE2 3.37Å
283	G	51	Low	56.7	Low	62 Å²	62	74.4 Å²	74.4	64%	0.639	40%	0.402	S	S	*	.			trans	68.7	-3.1	178.2	0	0	0	0	0	115.9	C279 S285	C279-G283 PolarHBondContact O-N 3.28Å; G283-S285 PolarHBondContact O-N 3.41Å; G283-S285 PolarHBondContact O-OG 2.95Å
284	K	51.6	Low	57	Low	123 Å²	123	79.5 Å²	79.5	54%	0.535	41%	0.41	S	S	.	.			trans	-73.1	128.2	-177.9	-70.2	175.1	-177.3	167.3	0	110.9	C279 C282 F286	C279-K284 WeakPolarHBondContact CB-O 3.32Å; C279-K284 PolarHBondContact N-O 3.03Å; C282-K284 PolarHBondContact O-N 2.94Å; K284-F286 HydrophobicContact CB-CE2 3.79Å; K284-F286 HydrophobicContact CB-CZ 4Å; K284-F286 WeakPolarHBondContact O-CD2 3.5Å; K284-F286 VanDerWaalsContact O-CE2 3.28Å; K284-F286 WeakPolarHBondContact O-CE2 3.36Å
285	S	53.3	Low	57.1	Low	42 Å²	42	74.8 Å²	74.8	29%	0.294	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	139.2	-173.8	-45.6	0	0	0	0	110.5	K275 H278 G283	K275-S285 VanDerWaalsContact CB-CB 3.42Å; H278-S285 WeakPolarHBondContact ND1-CB 3.47Å; H278-S285 PolarHBondContact ND1-OG 3.34Å; G283-S285 PolarHBondContact O-N 3.41Å; G283-S285 PolarHBondContact O-OG 2.95Å
286	F	67.2	Low	57.1	Low	46 Å²	46	73.4 Å²	73.4	20%	0.202	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	150.4	-173.2	-60.5	-92.9	0	0	0	111.6	K275 Y277 C279 K284 L292 H295	K275-F286 CarbonylContact C-O 3.58Å; K275-F286 WeakPolarHBondContact CA-O 3.32Å; Y277-F286 WeakPolarHBondContact CB-O 3.18Å; Y277-F286 PolarHBondContact N-O 2.88Å; Y277-F286 VanDerWaalsContact N-O 3.12Å; Y277-F286 PolarHBondContact O-N 2.82Å; C279-F286 HydrophobicContact CB-CE2 4.34Å; K284-F286 HydrophobicContact CB-CE2 3.79Å; K284-F286 HydrophobicContact CB-CZ 4Å; K284-F286 WeakPolarHBondContact O-CD2 3.5Å; K284-F286 VanDerWaalsContact O-CE2 3.28Å; K284-F286 WeakPolarHBondContact O-CE2 3.36Å; F286-L292 HydrophobicContact CB-CB 4.33Å; F286-L292 HydrophobicContact CD2-CB 4.1Å; F286-L292 HydrophobicContact CD2-CD1 3.82Å; F286-L292 HydrophobicContact CE2-CD1 4.06Å; F286-L292 HydrophobicContact CG-CB 4.34Å; F286-H295 HydrophobicContact CE1-CB 4.13Å; F286-H295 HydrophobicContact CE2-CB 4.05Å; F286-H295 AromaticContact CE2-CD2 3.3Å; F286-H295 WeakPolarHBondContact CE2-CD2 3.14Å; F286-H295 AromaticContact CE2-CG 3.72Å; F286-H295 HydrophobicContact CZ-CB 3.66Å; F286-H295 AromaticContact CZ-CD2 3.32Å; F286-H295 WeakPolarHBondContact CZ-CD2 3.46Å; F286-H295 AromaticContact CZ-CG 3.3Å; F286-H295 AromaticContact CZ-ND1 3.87Å; F286-H295 AromaticContact CZ-NE2 3.89Å
287	T	53.3	Low	57	Low	36 Å²	36	72.4 Å²	72.4	22%	0.221	37%	0.372	C	S	.	.	S	Bend	trans	-80.6	-21.6	178.4	52.6	0	0	0	0	113.5	Q269 K275 Y277	Q269-T287 HydrophobicContact CB-CG2 4.17Å; K275-T287 HydrophobicContact CG-CG2 4.07Å; Y277-T287 WeakPolarHBondContact CE2-O 3.49Å
288	V	62.9	Low	56.5	Low	43 Å²	43	72.8 Å²	72.8	26%	0.261	38%	0.381	S	S	.	.	S	Bend	trans	-136.2	129.7	-179.6	-178.9	0	0	0	0	111.7	Q266 S290 T291 L292	Q266-V288 HydrophobicContact CG-CG2 4.11Å; V288-S290 VanDerWaalsContact C-N 3.32Å; V288-S290 WeakPolarHBondContact CG1-OG 3.5Å; V288-S290 PolarHBondContact O-N 3.09Å; V288-T291 HydrophobicContact CB-CG2 4.48Å; V288-T291 WeakPolarHBondContact O-CA 3.3Å; V288-T291 WeakPolarHBondContact O-CB 3.44Å; V288-T291 PolarHBondContact O-N 3.47Å; V288-T291 PolarHBondContact O-OG1 3.28Å; V288-L292 PolarHBondContact O-N 3.19Å
289	G	53.9	Low	56.2	Low	15 Å²	15	70.5 Å²	70.5	16%	0.155	37%	0.37	C	S	.	.	H	α-helix	trans	-55.7	-36.3	-175.2	0	0	0	0	0	115.2	Y277 T291 L292 I293	Y277-G289 VanDerWaalsContact CD2-N 3.29Å; G289-T291 PolarHBondContact O-N 3.33Å; G289-L292 WeakPolarHBondContact O-CB 3.3Å; G289-L292 PolarHBondContact O-N 3.23Å; G289-I293 WeakPolarHBondContact O-CG1 3.39Å; G289-I293 PolarHBondContact O-N 2.91Å
290	S	59.9	Low	55.9	Low	81 Å²	81	74.1 Å²	74.1	57%	0.566	39%	0.392	S	S	*	.	H	α-helix	trans	-62.3	-24.9	175.2	62.9	0	0	0	0	113.5	V288 R294	V288-S290 VanDerWaalsContact C-N 3.32Å; V288-S290 WeakPolarHBondContact CG1-OG 3.5Å; V288-S290 PolarHBondContact O-N 3.09Å; S290-R294 PolarHBondContact O-N 3.26Å
291	T	56.8	Low	55.7	Low	38 Å²	38	65.6 Å²	65.6	23%	0.233	37%	0.366	C	S	.	.	H	α-helix	trans	-83.2	-29.6	173.6	70.8	0	0	0	0	112.8	V288 G289 H295	V288-T291 HydrophobicContact CB-CG2 4.48Å; V288-T291 WeakPolarHBondContact O-CA 3.3Å; V288-T291 WeakPolarHBondContact O-CB 3.44Å; V288-T291 PolarHBondContact O-N 3.47Å; V288-T291 PolarHBondContact O-OG1 3.28Å; G289-T291 PolarHBondContact O-N 3.33Å; T291-H295 WeakPolarHBondContact O-CB 3.29Å; T291-H295 PolarHBondContact O-N 3.3Å; T291-H295 VanDerWaalsContact O-N 3.11Å
292	L	62.6	Low	55.9	Low	17 Å²	17	65 Å²	65	9%	0.089	36%	0.363	C	S	.	.	H	α-helix	trans	-66.5	-46	168	172	63.6	0	0	0	111.1	C279 F286 V288 G289 R294 H295 Q296	C279-L292 HydrophobicContact CB-CD1 3.6Å; F286-L292 HydrophobicContact CB-CB 4.33Å; F286-L292 HydrophobicContact CD2-CB 4.1Å; F286-L292 HydrophobicContact CD2-CD1 3.82Å; F286-L292 HydrophobicContact CE2-CD1 4.06Å; F286-L292 HydrophobicContact CG-CB 4.34Å; V288-L292 PolarHBondContact O-N 3.19Å; G289-L292 WeakPolarHBondContact O-CB 3.3Å; G289-L292 PolarHBondContact O-N 3.23Å; L292-R294 PolarHBondContact O-N 2.88Å; L292-H295 CarbonylContact O-C 3.18Å; L292-H295 WeakPolarHBondContact O-CA 3.4Å; L292-H295 WeakPolarHBondContact O-CB 3.45Å; L292-H295 PolarHBondContact O-N 3.4Å; L292-Q296 HydrophobicContact CD1-CG 3.98Å; L292-Q296 HydrophobicContact CG-CG 4.28Å; L292-Q296 WeakPolarHBondContact O-CG 3.48Å; L292-Q296 PolarHBondContact O-N 3.09Å
293	I	61	Low	56.2	Low	102 Å²	102	67.8 Å²	67.8	52%	0.523	37%	0.37	S	S	.	.	H	α-helix	trans	-58.7	-48.1	179.5	-67.6	165.2	0	0	0	110.6	G289 H295 Q296 Q297	G289-I293 WeakPolarHBondContact O-CG1 3.39Å; G289-I293 PolarHBondContact O-N 2.91Å; I293-H295 PolarHBondContact O-N 3.44Å; I293-Q296 PolarHBondContact O-N 2.93Å; I293-Q296 VanDerWaalsContact O-N 3.15Å; I293-Q297 PolarHBondContact O-N 3.09Å
294	R	58.6	Low	56.6	Low	144 Å²	144	68.7 Å²	68.7	54%	0.543	37%	0.365	S	S	.	.	H	α-helix	trans	-64.7	-20.5	174	-169.2	-179.2	63.8	-156.6	-5.7	113.5	S290 L292	S290-R294 PolarHBondContact O-N 3.26Å; L292-R294 PolarHBondContact O-N 2.88Å
295	H	58.6	Low	57	Low	19 Å²	19	68 Å²	68	9%	0.088	36%	0.359	C	S	.	.	H	α-helix	trans	-84.2	-34.9	172.8	176.9	61.2	0	0	0	112.4	C282 F286 T291 L292 I293 Q297 I298 H299	C282-H295 PolarHBondContact SG-NE2 3.17Å; F286-H295 HydrophobicContact CE1-CB 4.13Å; F286-H295 HydrophobicContact CE2-CB 4.05Å; F286-H295 AromaticContact CE2-CD2 3.3Å; F286-H295 WeakPolarHBondContact CE2-CD2 3.14Å; F286-H295 AromaticContact CE2-CG 3.72Å; F286-H295 HydrophobicContact CZ-CB 3.66Å; F286-H295 AromaticContact CZ-CD2 3.32Å; F286-H295 WeakPolarHBondContact CZ-CD2 3.46Å; F286-H295 AromaticContact CZ-CG 3.3Å; F286-H295 AromaticContact CZ-ND1 3.87Å; F286-H295 AromaticContact CZ-NE2 3.89Å; T291-H295 WeakPolarHBondContact O-CB 3.29Å; T291-H295 PolarHBondContact O-N 3.3Å; T291-H295 VanDerWaalsContact O-N 3.11Å; L292-H295 CarbonylContact O-C 3.18Å; L292-H295 WeakPolarHBondContact O-CA 3.4Å; L292-H295 WeakPolarHBondContact O-CB 3.45Å; L292-H295 PolarHBondContact O-N 3.4Å; I293-H295 PolarHBondContact O-N 3.44Å; H295-Q297 VanDerWaalsContact C-N 3.27Å; H295-Q297 PolarHBondContact O-N 3.41Å; H295-I298 VanDerWaalsContact O-CB 3.23Å; H295-I298 WeakPolarHBondContact O-CB 3.22Å; H295-I298 WeakPolarHBondContact O-CG1 3.39Å; H295-I298 PolarHBondContact O-N 2.88Å; H295-H299 AromaticContact CD2-NE2 3.73Å; H295-H299 AromaticContact CE1-CE1 3.98Å; H295-H299 AromaticContact CE1-NE2 3.45Å; H295-H299 PolarHBondContact CE1-NE2 2.84Å; H295-H299 AromaticContact NE2-CE1 3.86Å; H295-H299 AromaticContact NE2-NE2 3.04Å; H295-H299 PolarHBondContact NE2-NE2 3.15Å
296	Q	57.1	Low	56.6	Low	74 Å²	74	70.3 Å²	70.3	35%	0.346	37%	0.368	S	S	.	.	H	α-helix	trans	-62.9	-34.2	175.9	-74.1	166.1	-47.3	0	0	111.9	L292 I293 I298 H299 T300	L292-Q296 HydrophobicContact CD1-CG 3.98Å; L292-Q296 HydrophobicContact CG-CG 4.28Å; L292-Q296 WeakPolarHBondContact O-CG 3.48Å; L292-Q296 PolarHBondContact O-N 3.09Å; I293-Q296 PolarHBondContact O-N 2.93Å; I293-Q296 VanDerWaalsContact O-N 3.15Å; Q296-I298 PolarHBondContact O-N 2.57Å; Q296-I298 VanDerWaalsContact O-N 3.07Å; Q296-H299 PolarHBondContact O-N 3.01Å; Q296-T300 PolarHBondContact O-N 2.86Å
297	Q	61.1	Low	56.1	Low	50 Å²	50	68.2 Å²	68.2	23%	0.234	36%	0.359	C	S	.	.	H	α-helix	trans	-58.2	-16.5	169.8	-69.6	172	-24.9	0	0	114.4	I293 H295 G301 A315	I293-Q297 PolarHBondContact O-N 3.09Å; H295-Q297 VanDerWaalsContact C-N 3.27Å; H295-Q297 PolarHBondContact O-N 3.41Å; Q297-G301 PolarHBondContact O-N 3.27Å; Q297-A315 PolarHBondContact OE1-O 2.75Å
298	I	52	Low	56	Low	118 Å²	118	76.6 Å²	76.6	61%	0.605	39%	0.393	S	S	*	.	H	α-helix	trans	-77.4	-28.5	173	-53.4	-178.6	0	0	0	110.9	H295 Q296	H295-I298 VanDerWaalsContact O-CB 3.23Å; H295-I298 WeakPolarHBondContact O-CB 3.22Å; H295-I298 WeakPolarHBondContact O-CG1 3.39Å; H295-I298 PolarHBondContact O-N 2.88Å; Q296-I298 PolarHBondContact O-N 2.57Å; Q296-I298 VanDerWaalsContact O-N 3.07Å
299	H	47.8	Very low	55.2	Low	66 Å²	66	80.7 Å²	80.7	31%	0.306	41%	0.409	S	S	.	.	H	α-helix	trans	-92.4	-34.5	-179.6	-53.1	-62.7	0	0	0	112.9	C279 C282 H295 Q296 G301	C279-H299 VanDerWaalsContact SG-CD2 3.56Å; C279-H299 PolarHBondContact SG-NE2 3.35Å; C279-H299 VanDerWaalsContact SG-NE2 3.43Å; C282-H299 PolarHBondContact SG-CE1 3.4Å; C282-H299 PolarHBondContact SG-NE2 3.37Å; H295-H299 AromaticContact CD2-NE2 3.73Å; H295-H299 AromaticContact CE1-CE1 3.98Å; H295-H299 AromaticContact CE1-NE2 3.45Å; H295-H299 PolarHBondContact CE1-NE2 2.84Å; H295-H299 AromaticContact NE2-CE1 3.86Å; H295-H299 AromaticContact NE2-NE2 3.04Å; H295-H299 PolarHBondContact NE2-NE2 3.15Å; Q296-H299 PolarHBondContact O-N 3.01Å; H299-G301 VanDerWaalsContact C-N 3.27Å
300	T	52.3	Low	54.7	Low	77 Å²	77	81.9 Å²	81.9	47%	0.472	41%	0.414	S	S	.	.	H	α-helix	trans	-75.1	-18.2	172.1	66.7	0	0	0	0	112.6	Q296 E302	Q296-T300 PolarHBondContact O-N 2.86Å; T300-E302 PolarHBondContact O-N 3Å; T300-E302 PolarHBondContact OG1-OE2 3.21Å
301	G	49.8	Very low	54.1	Low	40 Å²	40	81 Å²	81	41%	0.412	42%	0.419	S	S	.	.			trans	76.1	-9	-179.1	0	0	0	0	0	114.7	Q297 H299 K303	Q297-G301 PolarHBondContact O-N 3.27Å; H299-G301 VanDerWaalsContact C-N 3.27Å; G301-K303 WeakPolarHBondContact O-CG 3.2Å
302	E	53.4	Low	53.7	Low	121 Å²	121	84.7 Å²	84.7	57%	0.565	43%	0.431	S	S	*	.			trans	-63.2	131.2	-178.1	-64.5	172.9	128.4	0	0	112.1	T300	T300-E302 PolarHBondContact O-N 3Å; T300-E302 PolarHBondContact OG1-OE2 3.21Å
303	K	56.5	Low	53.1	Low	109 Å²	109	86.2 Å²	86.2	47%	0.474	44%	0.443	S	S	.	.			trans	-137.8	76.5	-175.3	-71.7	161.2	-167.4	158.9	0	109.5	G301 Y305 S313 F314	G301-K303 WeakPolarHBondContact O-CG 3.2Å; K303-Y305 PolarHBondContact O-N 3.03Å; K303-S313 WeakPolarHBondContact O-CB 3.14Å; K303-F314 CarbonylContact C-O 3.17Å; K303-F314 WeakPolarHBondContact CA-O 3.36Å
304	P	59.1	Low	53.2	Low	82 Å²	82	83.6 Å²	83.6	53%	0.532	43%	0.428	S	S	.	.			trans	-66.7	7.5	-163.8	-23.3	35.3	0	0	0	117.2
305	Y	60.6	Low	52.8	Low	108 Å²	108	78.4 Å²	78.4	42%	0.424	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	87	-172.5	-58.1	-79.2	0	0	0	110.6	K303 F314 S316	K303-Y305 PolarHBondContact O-N 3.03Å; Y305-F314 WeakPolarHBondContact CB-O 3.21Å; Y305-F314 WeakPolarHBondContact CD2-O 3.44Å; Y305-F314 PolarHBondContact N-O 2.96Å; Y305-F314 PolarHBondContact O-N 3.28Å; Y305-S316 VanDerWaalsContact CD2-C 3.44Å; Y305-S316 VanDerWaalsContact CD2-CA 3.47Å
306	D	45.3	Very low	52.7	Low	91 Å²	91	79.3 Å²	79.3	49%	0.487	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	136	-177.7	-69.3	-66.1	0	0	0	114.5	K308 S313	D306-K308 PolarHBondContact O-N 2.96Å; D306-S313 VanDerWaalsContact OD1-CA 3.28Å; D306-S313 WeakPolarHBondContact OD1-CA 3.42Å; D306-S313 WeakPolarHBondContact OD1-CB 3.33Å; D306-S313 PolarHBondContact OD1-OG 3.31Å
307	C	56.2	Low	52.4	Low	1 Å²	1	76.7 Å²	76.7	1%	0.007	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	100.5	171.6	-160.5	0	0	0	0	111.1	E309 C310 G311 K312 F314 L320 H327	C307-E309 PolarHBondContact O-N 2.99Å; C307-E309 VanDerWaalsContact O-N 3.1Å; C307-C310 PolarHBondContact O-N 3.35Å; C307-G311 PolarHBondContact O-N 3.43Å; C307-K312 WeakPolarHBondContact CB-O 3.44Å; C307-K312 PolarHBondContact N-O 3.05Å; C307-F314 HydrophobicContact CB-CE2 4.35Å; C307-L320 HydrophobicContact CB-CD1 3.53Å; C307-H327 PolarHBondContact SG-CD2 3.23Å
308	K	51.7	Low	52.2	Low	213 Å²	213	78.7 Å²	78.7	93%	0.926	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.9	-28.8	-176.5	-67.7	-169.2	174.9	-172.1	0	114.6	D306	D306-K308 PolarHBondContact O-N 2.96Å
309	E	45.1	Very low	52.3	Low	128 Å²	128	73.8 Å²	73.8	60%	0.598	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.1	-17.9	178.8	-66.3	175.1	105.8	0	0	114.6	C307 H327	C307-E309 PolarHBondContact O-N 2.99Å; C307-E309 VanDerWaalsContact O-N 3.1Å; E309-H327 WeakPolarHBondContact OE2-CB 3.3Å; E309-H327 IonicContact OE2-CD2 3.5Å; E309-H327 PolarHBondContact OE2-CD2 3.42Å; E309-H327 IonicContact OE2-CG 3.66Å
310	C	44.5	Very low	53	Low	40 Å²	40	71.6 Å²	71.6	27%	0.27	41%	0.405	S	S	.	.	T	Hydrogen-bonded Turn	trans	-146	7.2	-174.4	74.7	0	0	0	0	116.3	C307 K312 H323 H327	C307-C310 PolarHBondContact O-N 3.35Å; C310-K312 VanDerWaalsContact C-N 3.28Å; C310-K312 PolarHBondContact O-N 2.99Å; C310-H323 PolarHBondContact SG-NE2 3.3Å; C310-H327 WeakPolarHBondContact CB-NE2 3.37Å; C310-H327 PolarHBondContact SG-NE2 3.15Å
311	G	45.7	Very low	53.4	Low	64 Å²	64	72.7 Å²	72.7	66%	0.66	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.7	24.9	175.6	0	0	0	0	0	114.7	C307	C307-G311 PolarHBondContact O-N 3.43Å
312	K	48	Very low	53.8	Low	114 Å²	114	77.8 Å²	77.8	50%	0.496	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	119.5	-177.7	-71	174.7	-171.4	160.9	0	111.8	C307 C310 F314	C307-K312 WeakPolarHBondContact CB-O 3.44Å; C307-K312 PolarHBondContact N-O 3.05Å; C310-K312 VanDerWaalsContact C-N 3.28Å; C310-K312 PolarHBondContact O-N 2.99Å; K312-F314 HydrophobicContact CB-CE2 3.81Å; K312-F314 HydrophobicContact CB-CZ 4.04Å; K312-F314 VanDerWaalsContact O-CD2 3.3Å; K312-F314 WeakPolarHBondContact O-CD2 3.33Å; K312-F314 WeakPolarHBondContact O-CE2 3.34Å
313	S	50.1	Low	54.1	Low	49 Å²	49	73 Å²	73	34%	0.343	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	139.6	179	-32.9	0	0	0	0	111.8	K303 D306	K303-S313 WeakPolarHBondContact O-CB 3.14Å; D306-S313 VanDerWaalsContact OD1-CA 3.28Å; D306-S313 WeakPolarHBondContact OD1-CA 3.42Å; D306-S313 WeakPolarHBondContact OD1-CB 3.33Å; D306-S313 PolarHBondContact OD1-OG 3.31Å
314	F	62.9	Low	54	Low	47 Å²	47	71.2 Å²	71.2	21%	0.206	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	148.7	178.1	-62.8	-88.5	0	0	0	112.2	K303 Y305 C307 K312 S316 A319 L320 H323	K303-F314 CarbonylContact C-O 3.17Å; K303-F314 WeakPolarHBondContact CA-O 3.36Å; Y305-F314 WeakPolarHBondContact CB-O 3.21Å; Y305-F314 WeakPolarHBondContact CD2-O 3.44Å; Y305-F314 PolarHBondContact N-O 2.96Å; Y305-F314 PolarHBondContact O-N 3.28Å; C307-F314 HydrophobicContact CB-CE2 4.35Å; K312-F314 HydrophobicContact CB-CE2 3.81Å; K312-F314 HydrophobicContact CB-CZ 4.04Å; K312-F314 VanDerWaalsContact O-CD2 3.3Å; K312-F314 WeakPolarHBondContact O-CD2 3.33Å; K312-F314 WeakPolarHBondContact O-CE2 3.34Å; F314-S316 VanDerWaalsContact C-N 3.25Å; F314-S316 PolarHBondContact O-N 2.83Å; F314-A319 HydrophobicContact CB-CB 4.3Å; F314-A319 HydrophobicContact CD1-CB 4.25Å; F314-L320 HydrophobicContact CB-CB 4.37Å; F314-L320 HydrophobicContact CD2-CB 4.18Å; F314-L320 HydrophobicContact CD2-CD1 3.88Å; F314-L320 HydrophobicContact CE2-CD1 4.19Å; F314-L320 HydrophobicContact CG-CB 4.47Å; F314-H323 HydrophobicContact CE1-CB 4.15Å; F314-H323 HydrophobicContact CE2-CB 3.89Å; F314-H323 AromaticContact CE2-CD2 3.31Å; F314-H323 WeakPolarHBondContact CE2-CD2 3.47Å; F314-H323 AromaticContact CE2-CG 3.63Å; F314-H323 HydrophobicContact CZ-CB 3.63Å; F314-H323 AromaticContact CZ-CD2 3.34Å; F314-H323 WeakPolarHBondContact CZ-CD2 3.32Å; F314-H323 AromaticContact CZ-CG 3.26Å; F314-H323 AromaticContact CZ-ND1 3.71Å; F314-H323 AromaticContact CZ-NE2 3.8Å
315	A	50.4	Low	54.2	Low	36 Å²	36	70.6 Å²	70.6	30%	0.298	37%	0.372	S	S	.	.	S	Bend	trans	-82.2	8.8	177.7	0	0	0	0	0	114.2	Q297	Q297-A315 PolarHBondContact OE1-O 2.75Å
316	S	56.8	Low	53.7	Low	37 Å²	37	70.7 Å²	70.7	26%	0.259	38%	0.378	S	S	.	.	S	Bend	trans	-163.1	140.9	172.7	48.2	0	0	0	0	111.9	Y305 F314 S318 A319 L320	Y305-S316 VanDerWaalsContact CD2-C 3.44Å; Y305-S316 VanDerWaalsContact CD2-CA 3.47Å; F314-S316 VanDerWaalsContact C-N 3.25Å; F314-S316 PolarHBondContact O-N 2.83Å; S316-S318 VanDerWaalsContact C-N 3.27Å; S316-S318 PolarHBondContact O-N 3.27Å; S316-A319 WeakPolarHBondContact O-CA 3.48Å; S316-A319 WeakPolarHBondContact O-CB 3Å; S316-A319 PolarHBondContact O-N 2.9Å; S316-A319 WeakPolarHBondContact OG-CB 3.46Å; S316-L320 PolarHBondContact O-N 3.47Å; S316-L320 VanDerWaalsContact O-N 3.1Å
317	G	51.4	Low	53.7	Low	20 Å²	20	70.2 Å²	70.2	21%	0.206	37%	0.373	C	S	.	.	H	α-helix	trans	-58.8	-34	178.8	0	0	0	0	0	113.7	A319 L320 I321	G317-A319 VanDerWaalsContact C-N 3.3Å; G317-A319 PolarHBondContact O-N 2.9Å; G317-L320 PolarHBondContact O-N 3.33Å; G317-I321 WeakPolarHBondContact O-CG1 3.15Å; G317-I321 PolarHBondContact O-N 2.98Å
318	S	57.7	Low	53.4	Low	92 Å²	92	74 Å²	74	64%	0.643	40%	0.397	S	S	*	.	H	α-helix	trans	-68.8	-25.7	174.7	59.8	0	0	0	0	113.4	S316 R322	S316-S318 VanDerWaalsContact C-N 3.27Å; S316-S318 PolarHBondContact O-N 3.27Å; S318-R322 VanDerWaalsContact O-CB 3.24Å; S318-R322 WeakPolarHBondContact O-CB 3.29Å; S318-R322 PolarHBondContact O-N 3.34Å
319	A	53.5	Low	53.2	Low	15 Å²	15	65.5 Å²	65.5	12%	0.124	37%	0.369	C	S	.	.	H	α-helix	trans	-76.3	-37	169.8	0	0	0	0	0	112	F314 S316 G317 R322 H323	F314-A319 HydrophobicContact CB-CB 4.3Å; F314-A319 HydrophobicContact CD1-CB 4.25Å; S316-A319 WeakPolarHBondContact O-CA 3.48Å; S316-A319 WeakPolarHBondContact O-CB 3Å; S316-A319 PolarHBondContact O-N 2.9Å; S316-A319 WeakPolarHBondContact OG-CB 3.46Å; G317-A319 VanDerWaalsContact C-N 3.3Å; G317-A319 PolarHBondContact O-N 2.9Å; A319-R322 PolarHBondContact O-N 2.83Å; A319-H323 WeakPolarHBondContact O-CB 3.05Å; A319-H323 PolarHBondContact O-N 2.75Å
320	L	63	Low	53.6	Low	20 Å²	20	64.4 Å²	64.4	11%	0.105	36%	0.364	C	S	.	.	H	α-helix	trans	-64.2	-49.6	172.9	174	61.9	0	0	0	111.7	C307 F314 S316 G317 R322 H323 Q324	C307-L320 HydrophobicContact CB-CD1 3.53Å; F314-L320 HydrophobicContact CB-CB 4.37Å; F314-L320 HydrophobicContact CD2-CB 4.18Å; F314-L320 HydrophobicContact CD2-CD1 3.88Å; F314-L320 HydrophobicContact CE2-CD1 4.19Å; F314-L320 HydrophobicContact CG-CB 4.47Å; S316-L320 PolarHBondContact O-N 3.47Å; S316-L320 VanDerWaalsContact O-N 3.1Å; G317-L320 PolarHBondContact O-N 3.33Å; L320-R322 VanDerWaalsContact C-N 3.26Å; L320-R322 PolarHBondContact O-N 3.08Å; L320-H323 CarbonylContact O-C 3.14Å; L320-H323 WeakPolarHBondContact O-CA 3.46Å; L320-H323 VanDerWaalsContact O-CB 3.28Å; L320-H323 WeakPolarHBondContact O-CB 3.34Å; L320-H323 PolarHBondContact O-N 3.1Å; L320-Q324 HydrophobicContact CD1-CG 4.09Å; L320-Q324 HydrophobicContact CG-CG 4.39Å; L320-Q324 WeakPolarHBondContact O-CG 3.31Å; L320-Q324 PolarHBondContact O-N 3.36Å
321	I	59.3	Low	54.1	Low	99 Å²	99	67.7 Å²	67.7	51%	0.508	37%	0.373	S	S	.	.	H	α-helix	trans	-59.2	-39.6	177.1	-67.6	164.5	0	0	0	110.8	G317 H323 Q324	G317-I321 WeakPolarHBondContact O-CG1 3.15Å; G317-I321 PolarHBondContact O-N 2.98Å; I321-H323 PolarHBondContact O-N 3.17Å; I321-Q324 PolarHBondContact O-N 3.15Å
322	R	58.7	Low	54.9	Low	147 Å²	147	68 Å²	68	56%	0.555	36%	0.364	S	S	*	.	H	α-helix	trans	-67.6	-24.2	173.9	-168.7	179.2	61.9	-164.5	-5.1	113	S318 A319 L320 F344	S318-R322 VanDerWaalsContact O-CB 3.24Å; S318-R322 WeakPolarHBondContact O-CB 3.29Å; S318-R322 PolarHBondContact O-N 3.34Å; A319-R322 PolarHBondContact O-N 2.83Å; L320-R322 VanDerWaalsContact C-N 3.26Å; L320-R322 PolarHBondContact O-N 3.08Å; R322-F344 HydrophobicContact CG-CD1 4.19Å; R322-F344 HydrophobicContact CG-CE1 3.41Å; R322-F344 VanDerWaalsContact CG-CE1 3.41Å; R322-F344 HydrophobicContact CG-CZ 3.96Å
323	H	59.3	Low	55.7	Low	22 Å²	22	66.3 Å²	66.3	10%	0.102	36%	0.355	C	S	.	.	H	α-helix	trans	-81.8	-40.5	174.3	-177	60.5	0	0	0	112.5	C310 F314 A319 L320 I321 R325 I326	C310-H323 PolarHBondContact SG-NE2 3.3Å; F314-H323 HydrophobicContact CE1-CB 4.15Å; F314-H323 HydrophobicContact CE2-CB 3.89Å; F314-H323 AromaticContact CE2-CD2 3.31Å; F314-H323 WeakPolarHBondContact CE2-CD2 3.47Å; F314-H323 AromaticContact CE2-CG 3.63Å; F314-H323 HydrophobicContact CZ-CB 3.63Å; F314-H323 AromaticContact CZ-CD2 3.34Å; F314-H323 WeakPolarHBondContact CZ-CD2 3.32Å; F314-H323 AromaticContact CZ-CG 3.26Å; F314-H323 AromaticContact CZ-ND1 3.71Å; F314-H323 AromaticContact CZ-NE2 3.8Å; A319-H323 WeakPolarHBondContact O-CB 3.05Å; A319-H323 PolarHBondContact O-N 2.75Å; L320-H323 CarbonylContact O-C 3.14Å; L320-H323 WeakPolarHBondContact O-CA 3.46Å; L320-H323 VanDerWaalsContact O-CB 3.28Å; L320-H323 WeakPolarHBondContact O-CB 3.34Å; L320-H323 PolarHBondContact O-N 3.1Å; I321-H323 PolarHBondContact O-N 3.17Å; H323-R325 PolarHBondContact O-N 2.84Å; H323-I326 WeakPolarHBondContact O-CB 3.37Å; H323-I326 WeakPolarHBondContact O-CG1 3.42Å; H323-I326 PolarHBondContact O-N 3.48Å
324	Q	55.3	Low	55.5	Low	71 Å²	71	68.1 Å²	68.1	33%	0.332	36%	0.361	S	S	.	.	H	α-helix	trans	-58.5	-30.4	179.3	-73.9	168.4	-44.9	0	0	112.8	L320 I321 I326 H327 T328	L320-Q324 HydrophobicContact CD1-CG 4.09Å; L320-Q324 HydrophobicContact CG-CG 4.39Å; L320-Q324 WeakPolarHBondContact O-CG 3.31Å; L320-Q324 PolarHBondContact O-N 3.36Å; I321-Q324 PolarHBondContact O-N 3.15Å; Q324-I326 PolarHBondContact O-N 3.41Å; Q324-H327 PolarHBondContact O-N 3.48Å; Q324-T328 PolarHBondContact O-N 3.34Å; Q324-T328 PolarHBondContact O-OG1 3.22Å
325	R	62.7	Low	55.3	Low	68 Å²	68	65.9 Å²	65.9	26%	0.257	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-12.1	170	-65.6	-177.3	-174.7	-178.5	1.1	115	H323 G329	H323-R325 PolarHBondContact O-N 2.84Å; R325-G329 PolarHBondContact O-N 3.3Å
326	I	50.8	Low	55.5	Low	111 Å²	111	74.2 Å²	74.2	57%	0.569	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.5	-29	172	-56.5	179	0	0	0	110.9	H323 Q324	H323-I326 WeakPolarHBondContact O-CB 3.37Å; H323-I326 WeakPolarHBondContact O-CG1 3.42Å; H323-I326 PolarHBondContact O-N 3.48Å; Q324-I326 PolarHBondContact O-N 3.41Å
327	H	45	Very low	54.9	Low	81 Å²	81	77.9 Å²	77.9	38%	0.375	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.3	-48.5	176.8	-56.9	-49	0	0	0	111.7	C307 E309 C310 Q324 G329	C307-H327 PolarHBondContact SG-CD2 3.23Å; E309-H327 WeakPolarHBondContact OE2-CB 3.3Å; E309-H327 IonicContact OE2-CD2 3.5Å; E309-H327 PolarHBondContact OE2-CD2 3.42Å; E309-H327 IonicContact OE2-CG 3.66Å; C310-H327 WeakPolarHBondContact CB-NE2 3.37Å; C310-H327 PolarHBondContact SG-NE2 3.15Å; Q324-H327 PolarHBondContact O-N 3.48Å; H327-G329 PolarHBondContact O-N 3.5Å
328	T	50.3	Low	54.4	Low	81 Å²	81	79.1 Å²	79.1	50%	0.497	40%	0.398	S	S	.	.	S	Bend	trans	-68.6	-14.2	177.2	64.4	0	0	0	0	113.4	Q324 E330	Q324-T328 PolarHBondContact O-N 3.34Å; Q324-T328 PolarHBondContact O-OG1 3.22Å; T328-E330 PolarHBondContact O-N 3.48Å; T328-E330 VanDerWaalsContact O-N 3.14Å; T328-E330 WeakPolarHBondContact OG1-CG 3.21Å
329	G	47.1	Very low	53.8	Low	34 Å²	34	77.9 Å²	77.9	35%	0.351	40%	0.4	S	S	.	.			trans	71.9	-0.5	179.5	0	0	0	0	0	115.2	R325 H327 K331	R325-G329 PolarHBondContact O-N 3.3Å; H327-G329 PolarHBondContact O-N 3.5Å; G329-K331 WeakPolarHBondContact O-CE 3.36Å; G329-K331 WeakPolarHBondContact O-CG 3.49Å
330	E	52.9	Low	53.4	Low	104 Å²	104	80.1 Å²	80.1	49%	0.486	41%	0.407	S	S	.	.			trans	-56.6	130.4	-176.3	-74.9	177.2	173.1	0	0	113.2	T328	T328-E330 PolarHBondContact O-N 3.48Å; T328-E330 VanDerWaalsContact O-N 3.14Å; T328-E330 WeakPolarHBondContact OG1-CG 3.21Å
331	K	55.8	Low	52.8	Low	109 Å²	109	81.7 Å²	81.7	47%	0.474	42%	0.42	S	S	.	.			trans	-133.8	73.5	-178.5	-71.3	156	-165.5	146.9	0	111	G329 Y333 S341 F342 T343	G329-K331 WeakPolarHBondContact O-CE 3.36Å; G329-K331 WeakPolarHBondContact O-CG 3.49Å; K331-Y333 PolarHBondContact O-N 3.46Å; K331-S341 WeakPolarHBondContact O-CB 3.4Å; K331-F342 CarbonylContact C-O 3.23Å; K331-F342 VanDerWaalsContact CA-O 3.23Å; K331-F342 WeakPolarHBondContact CA-O 3.41Å; K331-T343 HydrophobicContact CG-CG2 3.89Å
332	P	62.7	Low	52.9	Low	70 Å²	70	79.2 Å²	79.2	46%	0.455	41%	0.406	S	S	.	.			trans	-71.2	10.4	-166.7	-19.5	34.4	0	0	0	116.7
333	Y	63.4	Low	52.4	Low	79 Å²	79	73.9 Å²	73.9	31%	0.31	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	92	-171.9	-56	-75.4	0	0	0	110.6	K331 F342 F344 H345	K331-Y333 PolarHBondContact O-N 3.46Å; Y333-F342 WeakPolarHBondContact CD2-O 3.35Å; Y333-F342 PolarHBondContact N-O 3.31Å; Y333-F342 PolarHBondContact O-N 3.28Å; Y333-F344 VanDerWaalsContact CD2-C 3.42Å; Y333-H345 HydrophobicContact CD1-CB 3.92Å; Y333-H345 HydrophobicContact CE1-CB 3.86Å; Y333-H345 HydrophobicContact CG-CB 4.32Å
334	D	47.2	Very low	52.6	Low	87 Å²	87	76.3 Å²	76.3	47%	0.465	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	135.6	-175.9	-70.8	-71.6	0	0	0	114.4	K336 S341	D334-K336 PolarHBondContact O-N 3.42Å; D334-S341 WeakPolarHBondContact OD1-CA 3.28Å; D334-S341 WeakPolarHBondContact OD1-CB 3.33Å; D334-S341 PolarHBondContact OD1-N 3.09Å; D334-S341 PolarHBondContact OD1-OG 3.06Å
335	C	58.6	Low	52.4	Low	0 Å²	0	77.9 Å²	77.9	0%	0	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	99.9	171.5	-169.5	0	0	0	0	110.3	E337 C338 G339 K340 F342 L348 H355	C335-E337 PolarHBondContact O-N 3.22Å; C335-E337 VanDerWaalsContact O-N 3.13Å; C335-C338 PolarHBondContact O-N 3.35Å; C335-G339 PolarHBondContact O-N 3Å; C335-K340 HydrophobicContact CB-CB 4.41Å; C335-K340 WeakPolarHBondContact CB-O 3.25Å; C335-K340 PolarHBondContact N-O 2.83Å; C335-F342 HydrophobicContact CB-CE2 4.39Å; C335-L348 HydrophobicContact CB-CD1 3.51Å; C335-H355 VanDerWaalsContact SG-CD2 3.54Å
336	K	53.5	Low	52.1	Low	211 Å²	211	78.9 Å²	78.9	92%	0.917	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.4	-36.5	-178.3	-66.3	-169.6	177	-173.4	0	113.4	D334 C338	D334-K336 PolarHBondContact O-N 3.42Å; K336-C338 VanDerWaalsContact C-N 3.28Å; K336-C338 PolarHBondContact O-N 2.93Å
337	E	44.4	Very low	52.2	Low	114 Å²	114	74 Å²	74	53%	0.533	40%	0.401	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-16.6	-178.3	-60.3	167.2	110.5	0	0	114.5	C335 H355	C335-E337 PolarHBondContact O-N 3.22Å; C335-E337 VanDerWaalsContact O-N 3.13Å; E337-H355 IonicContact OE2-CD2 3.28Å; E337-H355 PolarHBondContact OE2-CD2 3.18Å; E337-H355 IonicContact OE2-CG 3.99Å
338	C	41.8	Very low	53.1	Low	46 Å²	46	70.9 Å²	70.9	31%	0.311	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	-153.4	15.1	-176.6	72.5	0	0	0	0	116.6	C335 K336 K340 H351 H355	C335-C338 PolarHBondContact O-N 3.35Å; K336-C338 VanDerWaalsContact C-N 3.28Å; K336-C338 PolarHBondContact O-N 2.93Å; C338-K340 VanDerWaalsContact C-N 3.28Å; C338-K340 PolarHBondContact O-N 3.16Å; C338-K340 PolarHBondContact SG-NZ 2.87Å; C338-H351 PolarHBondContact SG-NE2 2.96Å; C338-H355 WeakPolarHBondContact CB-NE2 3.29Å; C338-H355 PolarHBondContact SG-NE2 2.86Å
339	G	44.4	Very low	53.5	Low	66 Å²	66	70.5 Å²	70.5	68%	0.68	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.2	30.3	175	0	0	0	0	0	114.8	C335	C335-G339 PolarHBondContact O-N 3Å
340	K	45	Very low	54.1	Low	63 Å²	63	75.5 Å²	75.5	27%	0.274	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	120	177.7	-71.6	-163.1	-143.5	75	0	112.1	C335 C338 F342 H351	C335-K340 HydrophobicContact CB-CB 4.41Å; C335-K340 WeakPolarHBondContact CB-O 3.25Å; C335-K340 PolarHBondContact N-O 2.83Å; C338-K340 VanDerWaalsContact C-N 3.28Å; C338-K340 PolarHBondContact O-N 3.16Å; C338-K340 PolarHBondContact SG-NZ 2.87Å; K340-F342 HydrophobicContact CB-CE2 3.62Å; K340-F342 HydrophobicContact CB-CZ 4.04Å; K340-F342 HydrophobicContact CD-CZ 4.35Å; K340-F342 VanDerWaalsContact O-CD2 3.29Å; K340-F342 WeakPolarHBondContact O-CD2 3.27Å; K340-F342 WeakPolarHBondContact O-CE2 3.33Å; K340-H351 PolarHBondContact NZ-CE1 2.88Å; K340-H351 PolarHBondContact NZ-NE2 3.42Å
341	S	51.2	Low	54.3	Low	53 Å²	53	71.2 Å²	71.2	37%	0.371	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	137.3	175.8	-31.4	0	0	0	0	112.2	K331 D334	K331-S341 WeakPolarHBondContact O-CB 3.4Å; D334-S341 WeakPolarHBondContact OD1-CA 3.28Å; D334-S341 WeakPolarHBondContact OD1-CB 3.33Å; D334-S341 PolarHBondContact OD1-N 3.09Å; D334-S341 PolarHBondContact OD1-OG 3.06Å
342	F	61.5	Low	54.3	Low	47 Å²	47	69.1 Å²	69.1	21%	0.206	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	149.5	176.2	-65.3	-92.2	0	0	0	112.3	K331 Y333 C335 K340 F344 A347 L348 H351	K331-F342 CarbonylContact C-O 3.23Å; K331-F342 VanDerWaalsContact CA-O 3.23Å; K331-F342 WeakPolarHBondContact CA-O 3.41Å; Y333-F342 WeakPolarHBondContact CD2-O 3.35Å; Y333-F342 PolarHBondContact N-O 3.31Å; Y333-F342 PolarHBondContact O-N 3.28Å; C335-F342 HydrophobicContact CB-CE2 4.39Å; K340-F342 HydrophobicContact CB-CE2 3.62Å; K340-F342 HydrophobicContact CB-CZ 4.04Å; K340-F342 HydrophobicContact CD-CZ 4.35Å; K340-F342 VanDerWaalsContact O-CD2 3.29Å; K340-F342 WeakPolarHBondContact O-CD2 3.27Å; K340-F342 WeakPolarHBondContact O-CE2 3.33Å; F342-F344 VanDerWaalsContact C-N 3.3Å; F342-F344 PolarHBondContact O-N 3Å; F342-A347 HydrophobicContact CB-CB 4.25Å; F342-A347 HydrophobicContact CD1-CB 3.98Å; F342-A347 HydrophobicContact CG-CB 4.42Å; F342-L348 HydrophobicContact CB-CB 4.34Å; F342-L348 HydrophobicContact CD2-CB 4.19Å; F342-L348 HydrophobicContact CD2-CD1 4.05Å; F342-L348 HydrophobicContact CE2-CD1 4.38Å; F342-L348 HydrophobicContact CG-CB 4.4Å; F342-H351 HydrophobicContact CE1-CB 4.07Å; F342-H351 HydrophobicContact CE2-CB 3.91Å; F342-H351 AromaticContact CE2-CD2 3.26Å; F342-H351 WeakPolarHBondContact CE2-CD2 3.35Å; F342-H351 AromaticContact CE2-CG 3.81Å; F342-H351 HydrophobicContact CZ-CB 3.57Å; F342-H351 AromaticContact CZ-CD2 3.22Å; F342-H351 WeakPolarHBondContact CZ-CD2 3.07Å; F342-H351 AromaticContact CZ-CG 3.41Å; F342-H351 VanDerWaalsContact CZ-CG 3.41Å
343	T	46.4	Very low	54.3	Low	35 Å²	35	69.4 Å²	69.4	22%	0.215	35%	0.353	C	S	.	.	S	Bend	trans	-71.7	-23	177.8	55.6	0	0	0	0	113.4	K331	K331-T343 HydrophobicContact CG-CG2 3.89Å
344	F	64.5	Low	53.7	Low	73 Å²	73	71.3 Å²	71.3	32%	0.32	37%	0.367	S	S	.	.	S	Bend	trans	-138.7	138.5	-174.3	-40.4	-52.6	0	0	0	111.5	R322 Y333 F342 S346 A347 L348	R322-F344 HydrophobicContact CG-CD1 4.19Å; R322-F344 HydrophobicContact CG-CE1 3.41Å; R322-F344 VanDerWaalsContact CG-CE1 3.41Å; R322-F344 HydrophobicContact CG-CZ 3.96Å; Y333-F344 VanDerWaalsContact CD2-C 3.42Å; F342-F344 VanDerWaalsContact C-N 3.3Å; F342-F344 PolarHBondContact O-N 3Å; F344-S346 VanDerWaalsContact C-N 3.31Å; F344-S346 PolarHBondContact O-N 2.82Å; F344-A347 HydrophobicContact CB-CB 4.35Å; F344-A347 WeakPolarHBondContact O-CA 3.45Å; F344-A347 WeakPolarHBondContact O-CB 3.32Å; F344-A347 PolarHBondContact O-N 2.97Å; F344-L348 PolarHBondContact O-N 2.95Å
345	H	50.8	Low	53.6	Low	103 Å²	103	71 Å²	71	48%	0.477	36%	0.363	S	S	.	.	H	α-helix	trans	-55.4	-41.8	176.6	-173.8	-112.7	0	0	0	113.1	Y333 A347 L348 I349	Y333-H345 HydrophobicContact CD1-CB 3.92Å; Y333-H345 HydrophobicContact CE1-CB 3.86Å; Y333-H345 HydrophobicContact CG-CB 4.32Å; H345-A347 PolarHBondContact O-N 3.04Å; H345-L348 WeakPolarHBondContact O-CA 3.4Å; H345-L348 WeakPolarHBondContact O-CB 3.25Å; H345-L348 PolarHBondContact O-N 3.4Å; H345-I349 WeakPolarHBondContact O-CG1 3.44Å; H345-I349 PolarHBondContact O-N 3.47Å
346	S	56.8	Low	53.3	Low	90 Å²	90	74.8 Å²	74.8	63%	0.629	39%	0.386	S	S	*	.	H	α-helix	trans	-65.1	-20.4	176.3	57.5	0	0	0	0	114	F344 R350	F344-S346 VanDerWaalsContact C-N 3.31Å; F344-S346 PolarHBondContact O-N 2.82Å; S346-R350 VanDerWaalsContact O-CB 3.23Å; S346-R350 WeakPolarHBondContact O-CB 3.41Å; S346-R350 PolarHBondContact O-N 2.65Å
347	A	53.3	Low	53.1	Low	9 Å²	9	66.9 Å²	66.9	7%	0.074	37%	0.365	C	S	.	.	H	α-helix	trans	-81.7	-31.4	171	0	0	0	0	0	112.3	F342 F344 H345 H351	F342-A347 HydrophobicContact CB-CB 4.25Å; F342-A347 HydrophobicContact CD1-CB 3.98Å; F342-A347 HydrophobicContact CG-CB 4.42Å; F344-A347 HydrophobicContact CB-CB 4.35Å; F344-A347 WeakPolarHBondContact O-CA 3.45Å; F344-A347 WeakPolarHBondContact O-CB 3.32Å; F344-A347 PolarHBondContact O-N 2.97Å; H345-A347 PolarHBondContact O-N 3.04Å; A347-H351 WeakPolarHBondContact O-CB 3.32Å; A347-H351 PolarHBondContact O-N 3.06Å
348	L	63.1	Low	53.6	Low	15 Å²	15	66.4 Å²	66.4	8%	0.079	36%	0.362	C	S	.	.	H	α-helix	trans	-68	-50.9	171	172.4	60.3	0	0	0	111.7	C335 F342 F344 H345 R350 H351 Q352	C335-L348 HydrophobicContact CB-CD1 3.51Å; F342-L348 HydrophobicContact CB-CB 4.34Å; F342-L348 HydrophobicContact CD2-CB 4.19Å; F342-L348 HydrophobicContact CD2-CD1 4.05Å; F342-L348 HydrophobicContact CE2-CD1 4.38Å; F342-L348 HydrophobicContact CG-CB 4.4Å; F344-L348 PolarHBondContact O-N 2.95Å; H345-L348 WeakPolarHBondContact O-CA 3.4Å; H345-L348 WeakPolarHBondContact O-CB 3.25Å; H345-L348 PolarHBondContact O-N 3.4Å; L348-R350 VanDerWaalsContact C-N 3.26Å; L348-R350 PolarHBondContact O-N 3.36Å; L348-H351 CarbonylContact O-C 3.54Å; L348-H351 VanDerWaalsContact O-CA 3.31Å; L348-H351 WeakPolarHBondContact O-CA 3.23Å; L348-H351 VanDerWaalsContact O-CB 3.29Å; L348-H351 WeakPolarHBondContact O-CB 3.46Å; L348-H351 PolarHBondContact O-N 3.28Å; L348-Q352 HydrophobicContact CD1-CG 4.17Å; L348-Q352 PolarHBondContact O-N 3.29Å
349	I	59.9	Low	54.2	Low	72 Å²	72	70.2 Å²	70.2	37%	0.369	37%	0.374	S	S	.	.	H	α-helix	trans	-56.8	-42.4	175.8	-62.1	-67.3	0	0	0	110.9	H345 H351 Q352	H345-I349 WeakPolarHBondContact O-CG1 3.44Å; H345-I349 PolarHBondContact O-N 3.47Å; I349-H351 VanDerWaalsContact C-N 3.25Å; I349-H351 PolarHBondContact O-N 3.21Å; I349-Q352 PolarHBondContact O-N 3.44Å
350	R	58.3	Low	55.1	Low	139 Å²	139	70.2 Å²	70.2	53%	0.525	36%	0.362	S	S	.	.	H	α-helix	trans	-61.8	-31.4	172	168.9	165.9	68	-177	0.9	113.1	S346 L348 F372	S346-R350 VanDerWaalsContact O-CB 3.23Å; S346-R350 WeakPolarHBondContact O-CB 3.41Å; S346-R350 PolarHBondContact O-N 2.65Å; L348-R350 VanDerWaalsContact C-N 3.26Å; L348-R350 PolarHBondContact O-N 3.36Å; R350-F372 VanDerWaalsContact CD-CE1 3.48Å; R350-F372 HydrophobicContact CG-CE1 3.57Å; R350-F372 HydrophobicContact CG-CZ 3.62Å
351	H	56.6	Low	56.1	Low	14 Å²	14	71 Å²	71	7%	0.065	36%	0.364	C	S	.	.	H	α-helix	trans	-76	-40.3	177	-177.9	23.8	0	0	0	112.2	C338 K340 F342 A347 L348 I349 R353 I354 H355	C338-H351 PolarHBondContact SG-NE2 2.96Å; K340-H351 PolarHBondContact NZ-CE1 2.88Å; K340-H351 PolarHBondContact NZ-NE2 3.42Å; F342-H351 HydrophobicContact CE1-CB 4.07Å; F342-H351 HydrophobicContact CE2-CB 3.91Å; F342-H351 AromaticContact CE2-CD2 3.26Å; F342-H351 WeakPolarHBondContact CE2-CD2 3.35Å; F342-H351 AromaticContact CE2-CG 3.81Å; F342-H351 HydrophobicContact CZ-CB 3.57Å; F342-H351 AromaticContact CZ-CD2 3.22Å; F342-H351 WeakPolarHBondContact CZ-CD2 3.07Å; F342-H351 AromaticContact CZ-CG 3.41Å; F342-H351 VanDerWaalsContact CZ-CG 3.41Å; A347-H351 WeakPolarHBondContact O-CB 3.32Å; A347-H351 PolarHBondContact O-N 3.06Å; L348-H351 CarbonylContact O-C 3.54Å; L348-H351 VanDerWaalsContact O-CA 3.31Å; L348-H351 WeakPolarHBondContact O-CA 3.23Å; L348-H351 VanDerWaalsContact O-CB 3.29Å; L348-H351 WeakPolarHBondContact O-CB 3.46Å; L348-H351 PolarHBondContact O-N 3.28Å; I349-H351 VanDerWaalsContact C-N 3.25Å; I349-H351 PolarHBondContact O-N 3.21Å; H351-R353 PolarHBondContact O-N 2.89Å; H351-I354 WeakPolarHBondContact O-CB 3.15Å; H351-I354 WeakPolarHBondContact O-CG1 3.47Å; H351-I354 PolarHBondContact O-N 2.85Å; H351-H355 AromaticContact CE1-NE2 3.93Å; H351-H355 AromaticContact NE2-NE2 4Å
352	Q	55.7	Low	55.8	Low	65 Å²	65	72.7 Å²	72.7	30%	0.304	37%	0.368	S	S	.	.	H	α-helix	trans	-60.1	-28.8	-178.1	-71.9	167.7	-71.4	0	0	112.8	L348 I349 I354 H355 T356	L348-Q352 HydrophobicContact CD1-CG 4.17Å; L348-Q352 PolarHBondContact O-N 3.29Å; I349-Q352 PolarHBondContact O-N 3.44Å; Q352-I354 PolarHBondContact O-N 2.98Å; Q352-H355 WeakPolarHBondContact O-CA 3.22Å; Q352-H355 WeakPolarHBondContact O-CB 3.14Å; Q352-H355 PolarHBondContact O-N 3.17Å; Q352-T356 PolarHBondContact O-N 3.24Å
353	R	63.9	Low	55.5	Low	77 Å²	77	70.4 Å²	70.4	29%	0.291	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-8.8	168.3	-63.8	-177.1	-176.6	177.6	-0.2	115.5	H351	H351-R353 PolarHBondContact O-N 2.89Å
354	I	50.8	Low	55.9	Low	118 Å²	118	78 Å²	78	61%	0.605	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.6	-23.2	171.2	-56	-176.8	0	0	0	111	H351 Q352	H351-I354 WeakPolarHBondContact O-CB 3.15Å; H351-I354 WeakPolarHBondContact O-CG1 3.47Å; H351-I354 PolarHBondContact O-N 2.85Å; Q352-I354 PolarHBondContact O-N 2.98Å
355	H	45.2	Very low	55	Low	82 Å²	82	80 Å²	80	38%	0.38	40%	0.399	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.7	-46.6	176.8	-56.6	-54.8	0	0	0	111.3	C335 E337 C338 H351 Q352 G357	C335-H355 VanDerWaalsContact SG-CD2 3.54Å; E337-H355 IonicContact OE2-CD2 3.28Å; E337-H355 PolarHBondContact OE2-CD2 3.18Å; E337-H355 IonicContact OE2-CG 3.99Å; C338-H355 WeakPolarHBondContact CB-NE2 3.29Å; C338-H355 PolarHBondContact SG-NE2 2.86Å; H351-H355 AromaticContact CE1-NE2 3.93Å; H351-H355 AromaticContact NE2-NE2 4Å; Q352-H355 WeakPolarHBondContact O-CA 3.22Å; Q352-H355 WeakPolarHBondContact O-CB 3.14Å; Q352-H355 PolarHBondContact O-N 3.17Å; H355-G357 PolarHBondContact O-N 3.17Å
356	T	52	Low	54.7	Low	78 Å²	78	77.4 Å²	77.4	48%	0.479	39%	0.391	S	S	.	.	S	Bend	trans	-71.1	-11.6	175.6	64.2	0	0	0	0	113.8	Q352 E358	Q352-T356 PolarHBondContact O-N 3.24Å; T356-E358 PolarHBondContact O-N 3.39Å; T356-E358 WeakPolarHBondContact OG1-CG 3.48Å
357	G	49.1	Very low	54	Low	46 Å²	46	76 Å²	76	47%	0.474	39%	0.392	S	S	.	.			trans	72	-6.6	179.4	0	0	0	0	0	115.7	H355 K359	H355-G357 PolarHBondContact O-N 3.17Å; G357-K359 PolarHBondContact O-N 3.22Å
358	E	54.8	Low	53.6	Low	104 Å²	104	81 Å²	81	49%	0.486	41%	0.412	S	S	.	.			trans	-53.6	127.1	-176.1	-71.6	177.8	168.5	0	0	113.5	T356 P360	T356-E358 PolarHBondContact O-N 3.39Å; T356-E358 WeakPolarHBondContact OG1-CG 3.48Å; E358-P360 HydrophobicContact CB-CG 4.47Å
359	K	55.6	Low	52.8	Low	125 Å²	125	82.9 Å²	82.9	54%	0.543	43%	0.426	S	S	.	.			trans	-129.5	75.4	177	-70.4	156.2	178.7	173.5	0	110.6	G357 Y361 S369 F370 T371	G357-K359 PolarHBondContact O-N 3.22Å; K359-Y361 PolarHBondContact O-N 3.38Å; K359-S369 VanDerWaalsContact CB-CB 3.46Å; K359-S369 WeakPolarHBondContact CD-O 3.49Å; K359-S369 WeakPolarHBondContact O-CB 3.4Å; K359-F370 CarbonylContact C-O 3.53Å; K359-F370 WeakPolarHBondContact CA-O 3.48Å; K359-T371 HydrophobicContact CG-CG2 4.05Å
360	P	63	Low	52.7	Low	67 Å²	67	82 Å²	82	44%	0.435	42%	0.42	S	S	.	.			trans	-74.4	19.3	-167.4	-17.6	33.9	0	0	0	116	E358	E358-P360 HydrophobicContact CB-CG 4.47Å
361	Y	64.6	Low	52.1	Low	80 Å²	80	77.1 Å²	77.1	31%	0.314	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	83.3	-175.5	-55	-72.5	0	0	0	110	K359 F370 R373	K359-Y361 PolarHBondContact O-N 3.38Å; Y361-F370 PolarHBondContact N-O 2.93Å; Y361-F370 PolarHBondContact O-N 2.87Å; Y361-R373 HydrophobicContact CD1-CB 3.83Å; Y361-R373 HydrophobicContact CD1-CG 4.34Å; Y361-R373 VanDerWaalsContact CD2-N 3.34Å; Y361-R373 HydrophobicContact CE1-CB 3.8Å; Y361-R373 HydrophobicContact CE1-CG 4.46Å; Y361-R373 HydrophobicContact CG-CB 4.27Å
362	D	46	Very low	52.3	Low	87 Å²	87	80.3 Å²	80.3	47%	0.465	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	143	177.7	52.8	-71.5	0	0	0	113.8	L376	D362-L376 WeakPolarHBondContact O-CD1 3.3Å; D362-L376 WeakPolarHBondContact O-CD2 3.24Å
363	C	55.2	Low	52	Low	0 Å²	0	85.6 Å²	85.6	0%	0	44%	0.436	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	104.4	169.6	176.2	0	0	0	0	109.5	E365 C366 G367 K368 F370 L376 H383	C363-E365 PolarHBondContact O-N 2.96Å; C363-E365 VanDerWaalsContact O-N 3.13Å; C363-C366 PolarHBondContact O-N 3.15Å; C363-C366 VanDerWaalsContact O-N 3.16Å; C363-C366 VanDerWaalsContact SG-SG 3.68Å; C363-G367 PolarHBondContact O-N 2.87Å; C363-K368 VanDerWaalsContact CB-O 3.31Å; C363-K368 WeakPolarHBondContact CB-O 3.47Å; C363-K368 PolarHBondContact N-O 2.84Å; C363-F370 HydrophobicContact CB-CE2 4.33Å; C363-L376 HydrophobicContact CB-CD1 3.56Å; C363-H383 VanDerWaalsContact SG-CD2 3.57Å; C363-H383 PolarHBondContact SG-NE2 3.15Å
364	K	54.3	Low	51.5	Low	194 Å²	194	86.4 Å²	86.4	84%	0.843	45%	0.454	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	-26.4	-176.2	-63.9	-164.5	173.7	-167.2	0	114.5
365	E	47	Very low	51.6	Low	116 Å²	116	82 Å²	82	54%	0.542	44%	0.438	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-20.7	-178.4	-62.4	161.7	122.8	0	0	113.8	C363 H383	C363-E365 PolarHBondContact O-N 2.96Å; C363-E365 VanDerWaalsContact O-N 3.13Å; E365-H383 IonicContact OE2-CD2 3.7Å; E365-H383 PolarHBondContact OE2-CD2 2.96Å; E365-H383 VanDerWaalsContact OE2-CD2 3.25Å; E365-H383 IonicContact OE2-CG 3.2Å
366	C	42.9	Very low	52.3	Low	47 Å²	47	79 Å²	79	32%	0.318	43%	0.425	S	S	.	.	T	Hydrogen-bonded Turn	trans	-148.2	14	-176.8	75.8	0	0	0	0	115.8	C363 K368 H379 H383	C363-C366 PolarHBondContact O-N 3.15Å; C363-C366 VanDerWaalsContact O-N 3.16Å; C363-C366 VanDerWaalsContact SG-SG 3.68Å; C366-K368 PolarHBondContact O-N 2.94Å; C366-K368 VanDerWaalsContact O-N 3.09Å; C366-H379 PolarHBondContact SG-NE2 3.12Å; C366-H383 VanDerWaalsContact SG-CE1 3.55Å; C366-H383 PolarHBondContact SG-NE2 3.22Å
367	G	43.6	Very low	52.5	Low	62 Å²	62	79.8 Å²	79.8	64%	0.639	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.8	8.7	175.7	0	0	0	0	0	115.8	C363 S369	C363-G367 PolarHBondContact O-N 2.87Å; G367-S369 PolarHBondContact O-N 3.29Å
368	K	43	Very low	52.9	Low	113 Å²	113	79.4 Å²	79.4	49%	0.491	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	118.3	-177.5	-70.8	173.1	-165.8	143.7	0	110.7	C363 C366 F370	C363-K368 VanDerWaalsContact CB-O 3.31Å; C363-K368 WeakPolarHBondContact CB-O 3.47Å; C363-K368 PolarHBondContact N-O 2.84Å; C366-K368 PolarHBondContact O-N 2.94Å; C366-K368 VanDerWaalsContact O-N 3.09Å; K368-F370 HydrophobicContact CB-CE2 3.8Å; K368-F370 HydrophobicContact CB-CZ 4.1Å; K368-F370 VanDerWaalsContact O-CD2 3.31Å; K368-F370 WeakPolarHBondContact O-CD2 3.39Å; K368-F370 WeakPolarHBondContact O-CE2 3.47Å
369	S	47.5	Very low	52.9	Low	54 Å²	54	75.3 Å²	75.3	38%	0.378	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	137.6	179.5	-36.6	0	0	0	0	112.5	K359 G367	K359-S369 VanDerWaalsContact CB-CB 3.46Å; K359-S369 WeakPolarHBondContact CD-O 3.49Å; K359-S369 WeakPolarHBondContact O-CB 3.4Å; G367-S369 PolarHBondContact O-N 3.29Å
370	F	57.2	Low	53	Low	54 Å²	54	72.7 Å²	72.7	24%	0.237	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	151.5	-175.9	-63.8	-92.8	0	0	0	111.5	K359 Y361 C363 K368 F372 L376 H379	K359-F370 CarbonylContact C-O 3.53Å; K359-F370 WeakPolarHBondContact CA-O 3.48Å; Y361-F370 PolarHBondContact N-O 2.93Å; Y361-F370 PolarHBondContact O-N 2.87Å; C363-F370 HydrophobicContact CB-CE2 4.33Å; K368-F370 HydrophobicContact CB-CE2 3.8Å; K368-F370 HydrophobicContact CB-CZ 4.1Å; K368-F370 VanDerWaalsContact O-CD2 3.31Å; K368-F370 WeakPolarHBondContact O-CD2 3.39Å; K368-F370 WeakPolarHBondContact O-CE2 3.47Å; F370-F372 VanDerWaalsContact C-N 3.28Å; F370-L376 HydrophobicContact CB-CB 4.37Å; F370-L376 HydrophobicContact CD2-CB 4.18Å; F370-L376 HydrophobicContact CD2-CD1 4.11Å; F370-L376 HydrophobicContact CE2-CD1 4.44Å; F370-L376 HydrophobicContact CG-CB 4.43Å; F370-H379 HydrophobicContact CE1-CB 4.03Å; F370-H379 HydrophobicContact CE2-CB 3.93Å; F370-H379 AromaticContact CE2-CD2 3.23Å; F370-H379 WeakPolarHBondContact CE2-CD2 3.38Å; F370-H379 AromaticContact CE2-CG 3.69Å; F370-H379 HydrophobicContact CZ-CB 3.54Å; F370-H379 AromaticContact CZ-CD2 3.27Å; F370-H379 WeakPolarHBondContact CZ-CD2 3.38Å; F370-H379 AromaticContact CZ-CG 3.29Å; F370-H379 AromaticContact CZ-NE2 3.97Å
371	T	45.2	Very low	52.7	Low	36 Å²	36	70.3 Å²	70.3	22%	0.221	38%	0.377	C	S	.	.	S	Bend	trans	-78.5	-12	175.2	50.7	0	0	0	0	113.2	K359	K359-T371 HydrophobicContact CG-CG2 4.05Å
372	F	61.5	Low	52	Low	81 Å²	81	72.2 Å²	72.2	36%	0.355	39%	0.391	S	S	.	.	S	Bend	trans	-138.8	135.7	-175.9	-47.9	-54.3	0	0	0	112.3	R350 F370 S374 G375 L376	R350-F372 VanDerWaalsContact CD-CE1 3.48Å; R350-F372 HydrophobicContact CG-CE1 3.57Å; R350-F372 HydrophobicContact CG-CZ 3.62Å; F370-F372 VanDerWaalsContact C-N 3.28Å; F372-S374 VanDerWaalsContact C-N 3.27Å; F372-S374 PolarHBondContact O-N 2.85Å; F372-G375 WeakPolarHBondContact O-CA 3.3Å; F372-G375 PolarHBondContact O-N 3.35Å; F372-L376 PolarHBondContact O-N 3.2Å
373	R	50.1	Low	52.1	Low	176 Å²	176	71.6 Å²	71.6	66%	0.664	39%	0.385	S	S	*	.	H	α-helix	trans	-57.4	-35.9	173.2	-171.3	174.4	177.2	170.4	-0.2	113.2	Y361 G375 L376 I377	Y361-R373 HydrophobicContact CD1-CB 3.83Å; Y361-R373 HydrophobicContact CD1-CG 4.34Å; Y361-R373 VanDerWaalsContact CD2-N 3.34Å; Y361-R373 HydrophobicContact CE1-CB 3.8Å; Y361-R373 HydrophobicContact CE1-CG 4.46Å; Y361-R373 HydrophobicContact CG-CB 4.27Å; R373-G375 VanDerWaalsContact C-N 3.32Å; R373-L376 PolarHBondContact O-N 3.33Å; R373-I377 HydrophobicContact CG-CD1 4Å; R373-I377 VanDerWaalsContact O-CG1 3.3Å; R373-I377 WeakPolarHBondContact O-CG1 3.23Å; R373-I377 PolarHBondContact O-N 2.84Å
374	S	53.5	Low	52	Low	94 Å²	94	75.1 Å²	75.1	66%	0.657	41%	0.407	S	S	*	.	H	α-helix	trans	-70.1	-27	174.1	52.2	0	0	0	0	113.5	F372 G378	F372-S374 VanDerWaalsContact C-N 3.27Å; F372-S374 PolarHBondContact O-N 2.85Å; S374-G378 PolarHBondContact O-N 3.37Å
375	G	52.3	Low	51.8	Low	27 Å²	27	68 Å²	68	28%	0.278	39%	0.389	S	S	.	.	H	α-helix	trans	-72.1	-38.6	171.2	0	0	0	0	0	112	F372 R373 H379	F372-G375 WeakPolarHBondContact O-CA 3.3Å; F372-G375 PolarHBondContact O-N 3.35Å; R373-G375 VanDerWaalsContact C-N 3.32Å; G375-H379 VanDerWaalsContact O-CB 3.27Å; G375-H379 WeakPolarHBondContact O-CB 3.33Å; G375-H379 PolarHBondContact O-N 3.39Å; G375-H379 VanDerWaalsContact O-N 3.1Å
376	L	59.4	Low	52.2	Low	19 Å²	19	68.8 Å²	68.8	10%	0.099	39%	0.392	C	S	.	.	H	α-helix	trans	-63.7	-51.5	171.2	173.3	60.3	0	0	0	111.4	D362 C363 F370 F372 R373 G378 H379 Q380	D362-L376 WeakPolarHBondContact O-CD1 3.3Å; D362-L376 WeakPolarHBondContact O-CD2 3.24Å; C363-L376 HydrophobicContact CB-CD1 3.56Å; F370-L376 HydrophobicContact CB-CB 4.37Å; F370-L376 HydrophobicContact CD2-CB 4.18Å; F370-L376 HydrophobicContact CD2-CD1 4.11Å; F370-L376 HydrophobicContact CE2-CD1 4.44Å; F370-L376 HydrophobicContact CG-CB 4.43Å; F372-L376 PolarHBondContact O-N 3.2Å; R373-L376 PolarHBondContact O-N 3.33Å; L376-G378 PolarHBondContact O-N 3.15Å; L376-H379 CarbonylContact O-C 3.22Å; L376-H379 WeakPolarHBondContact O-CA 3.49Å; L376-H379 WeakPolarHBondContact O-CB 3.15Å; L376-H379 PolarHBondContact O-N 3.04Å; L376-Q380 HydrophobicContact CD1-CG 3.99Å; L376-Q380 HydrophobicContact CG-CG 4.41Å; L376-Q380 WeakPolarHBondContact O-CG 3.35Å; L376-Q380 PolarHBondContact O-N 2.85Å
377	I	57.5	Low	52.8	Low	94 Å²	94	71.3 Å²	71.3	48%	0.482	40%	0.398	S	S	.	.	H	α-helix	trans	-59.1	-46.6	179.1	-68.2	163.9	0	0	0	111.2	R373 H379 Q380 A381	R373-I377 HydrophobicContact CG-CD1 4Å; R373-I377 VanDerWaalsContact O-CG1 3.3Å; R373-I377 WeakPolarHBondContact O-CG1 3.23Å; R373-I377 PolarHBondContact O-N 2.84Å; I377-H379 PolarHBondContact O-N 2.91Å; I377-Q380 PolarHBondContact O-N 2.97Å; I377-A381 PolarHBondContact O-N 2.83Å
378	G	55.8	Low	53.5	Low	37 Å²	37	72.7 Å²	72.7	38%	0.381	40%	0.396	S	S	.	.	H	α-helix	trans	-67.2	-11.3	175.1	0	0	0	0	0	114.7	S374 L376	S374-G378 PolarHBondContact O-N 3.37Å; L376-G378 PolarHBondContact O-N 3.15Å
379	H	56.3	Low	54.3	Low	19 Å²	19	72.3 Å²	72.3	9%	0.088	39%	0.392	C	S	.	.	H	α-helix	trans	-94.7	-36.2	171.8	175.5	51.6	0	0	0	112.7	C366 F370 G375 L376 I377 A381 I382 H383	C366-H379 PolarHBondContact SG-NE2 3.12Å; F370-H379 HydrophobicContact CE1-CB 4.03Å; F370-H379 HydrophobicContact CE2-CB 3.93Å; F370-H379 AromaticContact CE2-CD2 3.23Å; F370-H379 WeakPolarHBondContact CE2-CD2 3.38Å; F370-H379 AromaticContact CE2-CG 3.69Å; F370-H379 HydrophobicContact CZ-CB 3.54Å; F370-H379 AromaticContact CZ-CD2 3.27Å; F370-H379 WeakPolarHBondContact CZ-CD2 3.38Å; F370-H379 AromaticContact CZ-CG 3.29Å; F370-H379 AromaticContact CZ-NE2 3.97Å; G375-H379 VanDerWaalsContact O-CB 3.27Å; G375-H379 WeakPolarHBondContact O-CB 3.33Å; G375-H379 PolarHBondContact O-N 3.39Å; G375-H379 VanDerWaalsContact O-N 3.1Å; L376-H379 CarbonylContact O-C 3.22Å; L376-H379 WeakPolarHBondContact O-CA 3.49Å; L376-H379 WeakPolarHBondContact O-CB 3.15Å; L376-H379 PolarHBondContact O-N 3.04Å; I377-H379 PolarHBondContact O-N 2.91Å; H379-A381 PolarHBondContact O-N 3.19Å; H379-I382 WeakPolarHBondContact O-CB 3.46Å; H379-I382 WeakPolarHBondContact O-CG1 3.2Å; H379-I382 PolarHBondContact O-N 3.37Å; H379-H383 AromaticContact CD2-NE2 3.77Å; H379-H383 AromaticContact CE1-CE1 3.58Å; H379-H383 AromaticContact CE1-NE2 3.38Å; H379-H383 PolarHBondContact CE1-NE2 3.46Å; H379-H383 AromaticContact NE2-CE1 3.66Å; H379-H383 AromaticContact NE2-NE2 3.08Å; H379-H383 PolarHBondContact NE2-NE2 2.98Å
380	Q	56.6	Low	54.4	Low	70 Å²	70	74.1 Å²	74.1	33%	0.327	40%	0.397	S	S	.	.	H	α-helix	trans	-60.5	-34.9	174.6	-70.2	173.3	-75.8	0	0	111.3	L376 I377 I382 H383 T384	L376-Q380 HydrophobicContact CD1-CG 3.99Å; L376-Q380 HydrophobicContact CG-CG 4.41Å; L376-Q380 WeakPolarHBondContact O-CG 3.35Å; L376-Q380 PolarHBondContact O-N 2.85Å; I377-Q380 PolarHBondContact O-N 2.97Å; Q380-I382 PolarHBondContact O-N 3.25Å; Q380-H383 PolarHBondContact O-N 3.16Å; Q380-T384 PolarHBondContact O-N 3.2Å; Q380-T384 PolarHBondContact O-OG1 3.16Å
381	A	57.1	Low	54.3	Low	16 Å²	16	71.6 Å²	71.6	13%	0.132	39%	0.386	C	S	.	.	H	α-helix	trans	-60.3	-5.4	169.1	0	0	0	0	0	115.4	I377 H379 T399	I377-A381 PolarHBondContact O-N 2.83Å; H379-A381 PolarHBondContact O-N 3.19Å; A381-T399 HydrophobicContact CB-CG2 3.75Å
382	I	50.5	Low	54.8	Low	121 Å²	121	80 Å²	80	62%	0.621	42%	0.42	S	S	*	.	H	α-helix	trans	-88.9	-28.8	170	-53.6	-177.6	0	0	0	110.9	H379 Q380	H379-I382 WeakPolarHBondContact O-CB 3.46Å; H379-I382 WeakPolarHBondContact O-CG1 3.2Å; H379-I382 PolarHBondContact O-N 3.37Å; Q380-I382 PolarHBondContact O-N 3.25Å
383	H	47.1	Very low	54.2	Low	73 Å²	73	81.9 Å²	81.9	34%	0.338	43%	0.43	S	S	.	.	H	α-helix	trans	-89.8	-43.8	179.2	-50.9	-50	0	0	0	111.7	C363 E365 C366 H379 Q380 G385	C363-H383 VanDerWaalsContact SG-CD2 3.57Å; C363-H383 PolarHBondContact SG-NE2 3.15Å; E365-H383 IonicContact OE2-CD2 3.7Å; E365-H383 PolarHBondContact OE2-CD2 2.96Å; E365-H383 VanDerWaalsContact OE2-CD2 3.25Å; E365-H383 IonicContact OE2-CG 3.2Å; C366-H383 VanDerWaalsContact SG-CE1 3.55Å; C366-H383 PolarHBondContact SG-NE2 3.22Å; H379-H383 AromaticContact CD2-NE2 3.77Å; H379-H383 AromaticContact CE1-CE1 3.58Å; H379-H383 AromaticContact CE1-NE2 3.38Å; H379-H383 PolarHBondContact CE1-NE2 3.46Å; H379-H383 AromaticContact NE2-CE1 3.66Å; H379-H383 AromaticContact NE2-NE2 3.08Å; H379-H383 PolarHBondContact NE2-NE2 2.98Å; Q380-H383 PolarHBondContact O-N 3.16Å; H383-G385 VanDerWaalsContact C-N 3.26Å; H383-G385 PolarHBondContact O-N 2.94Å
384	T	52.6	Low	54.1	Low	74 Å²	74	75.7 Å²	75.7	45%	0.454	41%	0.413	S	S	.	.	S	Bend	trans	-74.8	-15.7	177	66.3	0	0	0	0	113.3	Q380 E386	Q380-T384 PolarHBondContact O-N 3.2Å; Q380-T384 PolarHBondContact O-OG1 3.16Å; T384-E386 PolarHBondContact O-N 3.26Å; T384-E386 VanDerWaalsContact O-N 3.07Å; T384-E386 PolarHBondContact OG1-N 3.31Å
385	G	51.6	Low	53.8	Low	45 Å²	45	74.2 Å²	74.2	46%	0.464	41%	0.413	S	S	.	.			trans	72.1	-11.5	-175.5	0	0	0	0	0	115.2	H383 K387	H383-G385 VanDerWaalsContact C-N 3.26Å; H383-G385 PolarHBondContact O-N 2.94Å; G385-K387 PolarHBondContact O-N 3.47Å
386	E	54.3	Low	53.4	Low	132 Å²	132	78.6 Å²	78.6	62%	0.617	42%	0.424	S	S	*	.			trans	-62.6	127.6	-176.1	-66.2	-174	140.6	0	0	112.6	T384	T384-E386 PolarHBondContact O-N 3.26Å; T384-E386 VanDerWaalsContact O-N 3.07Å; T384-E386 PolarHBondContact OG1-N 3.31Å
387	K	55.4	Low	52.8	Low	100 Å²	100	80 Å²	80	44%	0.435	44%	0.435	S	S	.	.			trans	-137.8	77.2	-179.7	-70.2	166.3	-170.8	164.6	0	109.1	G385 Y389 F398 T399	G385-K387 PolarHBondContact O-N 3.47Å; K387-Y389 PolarHBondContact O-N 2.87Å; K387-F398 CarbonylContact C-O 3.51Å; K387-F398 WeakPolarHBondContact CA-O 3.25Å; K387-T399 HydrophobicContact CG-CG2 4.01Å
388	P	58.5	Low	53	Low	91 Å²	91	77.6 Å²	77.6	59%	0.591	42%	0.422	S	S	*	.			trans	-67.1	13.6	-162.8	-23.2	35.5	0	0	0	117.3
389	Y	60.2	Low	52.7	Low	106 Å²	106	79.2 Å²	79.2	42%	0.416	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	82.8	-173.2	-58.7	-75.4	0	0	0	110.2	K387 F398 A400 G401	K387-Y389 PolarHBondContact O-N 2.87Å; Y389-F398 PolarHBondContact N-O 3.37Å; Y389-F398 PolarHBondContact O-N 3.03Å; Y389-A400 VanDerWaalsContact CD2-C 3.46Å; Y389-G401 VanDerWaalsContact CD2-N 3.27Å
390	D	49	Very low	52.7	Low	91 Å²	91	79.9 Å²	79.9	49%	0.487	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	135.5	-179.3	-67.3	-69.9	0	0	0	114.1	K392 S397	D390-K392 PolarHBondContact O-N 3.1Å; D390-S397 WeakPolarHBondContact OD1-CA 3.42Å; D390-S397 WeakPolarHBondContact OD1-CB 3.28Å; D390-S397 PolarHBondContact OD1-OG 3.37Å
391	C	56	Low	52.5	Low	1 Å²	1	77.4 Å²	77.4	1%	0.007	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	101.7	169.5	-172.3	0	0	0	0	110.6	E393 C394 G395 K396 F398 L404 H411	C391-E393 PolarHBondContact O-N 3.08Å; C391-C394 PolarHBondContact O-N 3.44Å; C391-C394 VanDerWaalsContact O-N 3.11Å; C391-C394 VanDerWaalsContact SG-SG 3.66Å; C391-G395 PolarHBondContact O-N 2.84Å; C391-K396 VanDerWaalsContact CB-O 3.31Å; C391-K396 WeakPolarHBondContact CB-O 3.22Å; C391-K396 PolarHBondContact N-O 2.92Å; C391-F398 HydrophobicContact CB-CE2 4.35Å; C391-L404 HydrophobicContact CB-CD1 3.55Å; C391-H411 PolarHBondContact SG-CD2 3.41Å; C391-H411 PolarHBondContact SG-NE2 2.91Å
392	K	55.3	Low	52.4	Low	212 Å²	212	80.8 Å²	80.8	92%	0.922	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.3	-24.9	-178.4	-63.9	-165.9	175.8	-170.4	0	114.7	D390	D390-K392 PolarHBondContact O-N 3.1Å
393	E	50	Low	52.7	Low	121 Å²	121	77.7 Å²	77.7	57%	0.565	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.9	-18.2	-178.5	-64.4	165.8	110.2	0	0	114.1	C391 H411	C391-E393 PolarHBondContact O-N 3.08Å; E393-H411 IonicContact OE2-CD2 2.77Å; E393-H411 PolarHBondContact OE2-CD2 2.93Å; E393-H411 IonicContact OE2-CG 3.32Å
394	C	46.8	Very low	53.5	Low	46 Å²	46	75.1 Å²	75.1	31%	0.311	42%	0.424	S	S	.	.	T	Hydrogen-bonded Turn	trans	-146.2	7.4	-174.2	78	0	0	0	0	115.9	C391 K396 H407 H411	C391-C394 PolarHBondContact O-N 3.44Å; C391-C394 VanDerWaalsContact O-N 3.11Å; C391-C394 VanDerWaalsContact SG-SG 3.66Å; C394-K396 PolarHBondContact O-N 3.2Å; C394-H407 PolarHBondContact SG-NE2 3.12Å; C394-H411 PolarHBondContact SG-NE2 3.46Å
395	G	46.6	Very low	54	Low	64 Å²	64	76 Å²	76	66%	0.66	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.3	16.4	177	0	0	0	0	0	115.1	C391	C391-G395 PolarHBondContact O-N 2.84Å
396	K	44.3	Very low	54.4	Low	118 Å²	118	78.1 Å²	78.1	51%	0.513	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	117.1	179.9	-70.7	175	-172.6	160.4	0	111.1	C391 C394 F398	C391-K396 VanDerWaalsContact CB-O 3.31Å; C391-K396 WeakPolarHBondContact CB-O 3.22Å; C391-K396 PolarHBondContact N-O 2.92Å; C394-K396 PolarHBondContact O-N 3.2Å; K396-F398 HydrophobicContact CB-CE2 3.76Å; K396-F398 HydrophobicContact CB-CZ 4.11Å; K396-F398 VanDerWaalsContact O-CD2 3.24Å; K396-F398 WeakPolarHBondContact O-CD2 3.34Å; K396-F398 WeakPolarHBondContact O-CE2 3.17Å
397	S	46.6	Very low	54.7	Low	48 Å²	48	72.9 Å²	72.9	34%	0.336	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	141.2	177.6	-31.8	0	0	0	0	111.9	D390	D390-S397 WeakPolarHBondContact OD1-CA 3.42Å; D390-S397 WeakPolarHBondContact OD1-CB 3.28Å; D390-S397 PolarHBondContact OD1-OG 3.37Å
398	F	63.1	Low	54.9	Low	44 Å²	44	71.3 Å²	71.3	19%	0.193	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	152.6	-179.1	-66	-92	0	0	0	112.3	K387 Y389 C391 K396 A400 L404 H407	K387-F398 CarbonylContact C-O 3.51Å; K387-F398 WeakPolarHBondContact CA-O 3.25Å; Y389-F398 PolarHBondContact N-O 3.37Å; Y389-F398 PolarHBondContact O-N 3.03Å; C391-F398 HydrophobicContact CB-CE2 4.35Å; K396-F398 HydrophobicContact CB-CE2 3.76Å; K396-F398 HydrophobicContact CB-CZ 4.11Å; K396-F398 VanDerWaalsContact O-CD2 3.24Å; K396-F398 WeakPolarHBondContact O-CD2 3.34Å; K396-F398 WeakPolarHBondContact O-CE2 3.17Å; F398-A400 VanDerWaalsContact C-N 3.35Å; F398-L404 HydrophobicContact CB-CB 4.25Å; F398-L404 HydrophobicContact CD2-CB 4.14Å; F398-L404 HydrophobicContact CD2-CD1 3.88Å; F398-L404 HydrophobicContact CE2-CD1 4.21Å; F398-L404 HydrophobicContact CG-CB 4.32Å; F398-H407 HydrophobicContact CE1-CB 4.04Å; F398-H407 HydrophobicContact CE2-CB 3.86Å; F398-H407 AromaticContact CE2-CD2 3.31Å; F398-H407 WeakPolarHBondContact CE2-CD2 3.43Å; F398-H407 AromaticContact CE2-CG 3.64Å; F398-H407 HydrophobicContact CZ-CB 3.52Å; F398-H407 AromaticContact CZ-CD2 3.35Å; F398-H407 WeakPolarHBondContact CZ-CD2 3.32Å; F398-H407 AromaticContact CZ-CG 3.26Å; F398-H407 AromaticContact CZ-ND1 3.87Å; F398-H407 AromaticContact CZ-NE2 3.99Å
399	T	49.3	Very low	55.3	Low	72 Å²	72	70 Å²	70	44%	0.442	38%	0.376	S	S	.	.	S	Bend	trans	-84.3	-5.9	179.5	54	0	0	0	0	113.9	A381 K387	A381-T399 HydrophobicContact CB-CG2 3.75Å; K387-T399 HydrophobicContact CG-CG2 4.01Å
400	A	55.7	Low	54.9	Low	33 Å²	33	70.7 Å²	70.7	27%	0.273	39%	0.386	S	S	.	.	S	Bend	trans	-151.9	133.8	175.6	0	0	0	0	0	111.8	Y389 F398 S402 T403 L404	Y389-A400 VanDerWaalsContact CD2-C 3.46Å; F398-A400 VanDerWaalsContact C-N 3.35Å; A400-S402 PolarHBondContact O-N 3.35Å; A400-S402 VanDerWaalsContact O-N 3.13Å; A400-T403 PolarHBondContact O-N 2.86Å; A400-T403 PolarHBondContact O-OG1 3.4Å; A400-L404 PolarHBondContact O-N 3.47Å
401	G	52.7	Low	55	Low	17 Å²	17	69.6 Å²	69.6	18%	0.175	38%	0.378	C	S	.	.	H	α-helix	trans	-57	-30.2	-179.2	0	0	0	0	0	114.5	Y389 T403 L404 I405	Y389-G401 VanDerWaalsContact CD2-N 3.27Å; G401-T403 VanDerWaalsContact C-N 3.3Å; G401-T403 PolarHBondContact O-N 2.89Å; G401-L404 PolarHBondContact O-N 2.89Å; G401-I405 VanDerWaalsContact O-CG1 3.28Å; G401-I405 WeakPolarHBondContact O-CG1 3.29Å; G401-I405 PolarHBondContact O-N 3.24Å
402	S	55.5	Low	54.9	Low	88 Å²	88	73.4 Å²	73.4	62%	0.615	40%	0.401	S	S	*	.	H	α-helix	trans	-65.9	-29.3	174	54.2	0	0	0	0	113.6	A400 Q406	A400-S402 PolarHBondContact O-N 3.35Å; A400-S402 VanDerWaalsContact O-N 3.13Å; S402-Q406 PolarHBondContact O-N 2.92Å
403	T	56.5	Low	54.9	Low	55 Å²	55	65.2 Å²	65.2	34%	0.337	38%	0.377	S	S	.	.	H	α-helix	trans	-82.5	-31.1	174.2	61.3	0	0	0	0	112.4	A400 G401 Q406 H407	A400-T403 PolarHBondContact O-N 2.86Å; A400-T403 PolarHBondContact O-OG1 3.4Å; G401-T403 VanDerWaalsContact C-N 3.3Å; G401-T403 PolarHBondContact O-N 2.89Å; T403-Q406 PolarHBondContact O-N 2.93Å; T403-H407 WeakPolarHBondContact O-CB 3.4Å; T403-H407 PolarHBondContact O-N 3.02Å
404	L	63.7	Low	55.2	Low	19 Å²	19	64.8 Å²	64.8	10%	0.099	38%	0.375	C	S	.	.	H	α-helix	trans	-61.7	-47.5	166.9	172.4	62.5	0	0	0	111.1	C391 F398 A400 G401 Q406 H407 Q408	C391-L404 HydrophobicContact CB-CD1 3.55Å; F398-L404 HydrophobicContact CB-CB 4.25Å; F398-L404 HydrophobicContact CD2-CB 4.14Å; F398-L404 HydrophobicContact CD2-CD1 3.88Å; F398-L404 HydrophobicContact CE2-CD1 4.21Å; F398-L404 HydrophobicContact CG-CB 4.32Å; A400-L404 PolarHBondContact O-N 3.47Å; G401-L404 PolarHBondContact O-N 2.89Å; L404-Q406 VanDerWaalsContact C-N 3.28Å; L404-Q406 PolarHBondContact O-N 3.49Å; L404-H407 CarbonylContact O-C 3.55Å; L404-H407 WeakPolarHBondContact O-CA 3.39Å; L404-H407 WeakPolarHBondContact O-CB 3.38Å; L404-H407 PolarHBondContact O-N 3.06Å; L404-Q408 HydrophobicContact CD1-CG 3.98Å; L404-Q408 HydrophobicContact CG-CG 4.32Å; L404-Q408 WeakPolarHBondContact O-CG 3.46Å; L404-Q408 PolarHBondContact O-N 2.96Å
405	I	63.5	Low	55.7	Low	93 Å²	93	68 Å²	68	48%	0.477	38%	0.383	S	S	.	.	H	α-helix	trans	-61.7	-36.9	177.9	-68.7	162.7	0	0	0	111.3	G401 H407	G401-I405 VanDerWaalsContact O-CG1 3.28Å; G401-I405 WeakPolarHBondContact O-CG1 3.29Å; G401-I405 PolarHBondContact O-N 3.24Å; I405-H407 VanDerWaalsContact C-N 3.31Å
406	Q	58.7	Low	56.6	Low	89 Å²	89	68.2 Å²	68.2	42%	0.416	37%	0.373	S	S	.	.	H	α-helix	trans	-68.6	-29.5	171.8	-168.7	177.4	12.3	0	0	112.5	S402 T403 L404	S402-Q406 PolarHBondContact O-N 2.92Å; T403-Q406 PolarHBondContact O-N 2.93Å; L404-Q406 VanDerWaalsContact C-N 3.28Å; L404-Q406 PolarHBondContact O-N 3.49Å
407	H	60.6	Low	57.6	Low	22 Å²	22	67.1 Å²	67.1	10%	0.102	37%	0.366	C	S	.	.	H	α-helix	trans	-76.7	-39.8	177.3	-177.6	55	0	0	0	113.3	C394 F398 T403 L404 I405 R409 I410 H411	C394-H407 PolarHBondContact SG-NE2 3.12Å; F398-H407 HydrophobicContact CE1-CB 4.04Å; F398-H407 HydrophobicContact CE2-CB 3.86Å; F398-H407 AromaticContact CE2-CD2 3.31Å; F398-H407 WeakPolarHBondContact CE2-CD2 3.43Å; F398-H407 AromaticContact CE2-CG 3.64Å; F398-H407 HydrophobicContact CZ-CB 3.52Å; F398-H407 AromaticContact CZ-CD2 3.35Å; F398-H407 WeakPolarHBondContact CZ-CD2 3.32Å; F398-H407 AromaticContact CZ-CG 3.26Å; F398-H407 AromaticContact CZ-ND1 3.87Å; F398-H407 AromaticContact CZ-NE2 3.99Å; T403-H407 WeakPolarHBondContact O-CB 3.4Å; T403-H407 PolarHBondContact O-N 3.02Å; L404-H407 CarbonylContact O-C 3.55Å; L404-H407 WeakPolarHBondContact O-CA 3.39Å; L404-H407 WeakPolarHBondContact O-CB 3.38Å; L404-H407 PolarHBondContact O-N 3.06Å; I405-H407 VanDerWaalsContact C-N 3.31Å; H407-R409 PolarHBondContact O-N 2.87Å; H407-I410 VanDerWaalsContact O-CB 3.22Å; H407-I410 WeakPolarHBondContact O-CB 3.42Å; H407-I410 WeakPolarHBondContact O-CG1 3.38Å; H407-I410 PolarHBondContact O-N 2.93Å; H407-H411 AromaticContact CD2-NE2 3.97Å; H407-H411 AromaticContact NE2-CE1 3.95Å; H407-H411 AromaticContact NE2-NE2 3.47Å; H407-H411 PolarHBondContact NE2-NE2 3.01Å
408	Q	60.7	Low	58	Low	67 Å²	67	69.1 Å²	69.1	31%	0.313	37%	0.374	S	S	.	.	H	α-helix	trans	-58.9	-30.6	179.2	-73.4	168.4	-55.8	0	0	112.4	L404 I410 H411 T412	L404-Q408 HydrophobicContact CD1-CG 3.98Å; L404-Q408 HydrophobicContact CG-CG 4.32Å; L404-Q408 WeakPolarHBondContact O-CG 3.46Å; L404-Q408 PolarHBondContact O-N 2.96Å; Q408-I410 PolarHBondContact O-N 3.13Å; Q408-H411 PolarHBondContact O-N 3.26Å; Q408-T412 PolarHBondContact O-N 2.91Å
409	R	65.8	Low	57.9	Low	64 Å²	64	67.1 Å²	67.1	24%	0.242	37%	0.365	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-11.5	170.6	-70.1	178	-178.1	173	1.2	115.2	H407 G413 E414 A427	H407-R409 PolarHBondContact O-N 2.87Å; R409-G413 PolarHBondContact O-N 2.86Å; R409-E414 WeakPolarHBondContact CB-O 3.4Å; R409-E414 HydrophobicContact CG-CB 4.45Å; R409-A427 HydrophobicContact CB-CB 4.45Å; R409-A427 PolarHBondContact NH1-O 3.31Å
410	I	53.3	Low	58.5	Low	120 Å²	120	73.6 Å²	73.6	62%	0.615	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.4	-28.6	171.6	-56.4	-176.7	0	0	0	110.8	H407 Q408	H407-I410 VanDerWaalsContact O-CB 3.22Å; H407-I410 WeakPolarHBondContact O-CB 3.42Å; H407-I410 WeakPolarHBondContact O-CG1 3.38Å; H407-I410 PolarHBondContact O-N 2.93Å; Q408-I410 PolarHBondContact O-N 3.13Å
411	H	49.7	Very low	58.4	Low	68 Å²	68	77.2 Å²	77.2	32%	0.315	40%	0.398	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.5	-46	178.8	-51.5	-48.9	0	0	0	111.6	C391 E393 C394 H407 Q408 G413	C391-H411 PolarHBondContact SG-CD2 3.41Å; C391-H411 PolarHBondContact SG-NE2 2.91Å; E393-H411 IonicContact OE2-CD2 2.77Å; E393-H411 PolarHBondContact OE2-CD2 2.93Å; E393-H411 IonicContact OE2-CG 3.32Å; C394-H411 PolarHBondContact SG-NE2 3.46Å; H407-H411 AromaticContact CD2-NE2 3.97Å; H407-H411 AromaticContact NE2-CE1 3.95Å; H407-H411 AromaticContact NE2-NE2 3.47Å; H407-H411 PolarHBondContact NE2-NE2 3.01Å; Q408-H411 PolarHBondContact O-N 3.26Å; H411-G413 PolarHBondContact O-N 3.03Å
412	T	55.6	Low	58.5	Low	81 Å²	81	78.6 Å²	78.6	50%	0.497	40%	0.404	S	S	.	.	S	Bend	trans	-70.7	-11.6	175.3	66.6	0	0	0	0	113.5	Q408 E414	Q408-T412 PolarHBondContact O-N 2.91Å; T412-E414 PolarHBondContact O-N 3.14Å; T412-E414 VanDerWaalsContact O-N 3.08Å
413	G	54	Low	58.3	Low	40 Å²	40	77.4 Å²	77.4	41%	0.412	41%	0.407	S	S	.	.			trans	72.3	-8.8	-178.2	0	0	0	0	0	115.4	R409 H411 K415	R409-G413 PolarHBondContact O-N 2.86Å; H411-G413 PolarHBondContact O-N 3.03Å; G413-K415 WeakPolarHBondContact O-CG 3.38Å; G413-K415 PolarHBondContact O-N 2.81Å
414	E	55.6	Low	58.1	Low	112 Å²	112	80.4 Å²	80.4	52%	0.523	42%	0.415	S	S	.	.			trans	-59.5	126.4	-176.4	-69.8	-173.9	153.2	0	0	113.1	R409 T412	R409-E414 WeakPolarHBondContact CB-O 3.4Å; R409-E414 HydrophobicContact CG-CB 4.45Å; T412-E414 PolarHBondContact O-N 3.14Å; T412-E414 VanDerWaalsContact O-N 3.08Å
415	K	58.7	Low	57.5	Low	114 Å²	114	81.9 Å²	81.9	50%	0.496	43%	0.427	S	S	.	.			trans	-132.5	73.3	179.6	-68.7	161.5	-166.8	162.7	0	110.5	G413 Y417 F426	G413-K415 WeakPolarHBondContact O-CG 3.38Å; G413-K415 PolarHBondContact O-N 2.81Å; K415-Y417 PolarHBondContact O-N 3.37Å; K415-F426 CarbonylContact C-O 3.6Å; K415-F426 WeakPolarHBondContact CA-O 3.45Å
416	P	64.6	Low	57.6	Low	69 Å²	69	79.7 Å²	79.7	45%	0.448	41%	0.414	S	S	.	.			trans	-71.2	22.1	-164.2	-19.9	34.7	0	0	0	116.8
417	Y	65.4	Low	57.3	Low	94 Å²	94	76.8 Å²	76.8	37%	0.369	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	84.8	-174	-57.9	-76.4	0	0	0	110.1	K415 F426 S428 G429	K415-Y417 PolarHBondContact O-N 3.37Å; Y417-F426 WeakPolarHBondContact CD2-O 3.41Å; Y417-F426 PolarHBondContact N-O 2.91Å; Y417-F426 PolarHBondContact O-N 3.34Å; Y417-S428 VanDerWaalsContact CD2-CA 3.46Å; Y417-G429 VanDerWaalsContact CD2-N 3.29Å
418	D	54.7	Low	57.3	Low	91 Å²	91	76.8 Å²	76.8	49%	0.487	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	136.2	-176.9	-61.8	-73.3	0	0	0	114	K420 S425	D418-K420 PolarHBondContact O-N 2.82Å; D418-S425 WeakPolarHBondContact OD1-CA 3.35Å; D418-S425 WeakPolarHBondContact OD1-CB 3.19Å; D418-S425 PolarHBondContact OD1-OG 3.2Å
419	C	61.3	Low	57	Low	1 Å²	1	74.5 Å²	74.5	1%	0.007	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	99	170.5	-173.7	0	0	0	0	110.4	E421 C422 G423 K424 F426 L432 H439	C419-E421 PolarHBondContact O-N 2.96Å; C419-C422 PolarHBondContact O-N 3.38Å; C419-C422 VanDerWaalsContact SG-SG 3.64Å; C419-G423 PolarHBondContact O-N 2.91Å; C419-K424 VanDerWaalsContact CB-O 3.32Å; C419-K424 WeakPolarHBondContact CB-O 3.43Å; C419-K424 PolarHBondContact N-O 3.03Å; C419-F426 HydrophobicContact CB-CE2 4.29Å; C419-L432 HydrophobicContact CB-CD1 3.52Å; C419-H439 PolarHBondContact SG-CD2 2.94Å; C419-H439 PolarHBondContact SG-NE2 3.02Å
420	K	61.7	Low	56.7	Low	209 Å²	209	75.6 Å²	75.6	91%	0.909	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.8	-28.6	179.6	-67.9	-166.7	174	-169.3	0	114.2	D418	D418-K420 PolarHBondContact O-N 2.82Å
421	E	54.6	Low	56.8	Low	108 Å²	108	71.3 Å²	71.3	51%	0.505	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.9	-15.3	-178.4	-62.1	160.3	115.6	0	0	114.1	C419 H439	C419-E421 PolarHBondContact O-N 2.96Å; E421-H439 IonicContact OE2-CD2 3.87Å; E421-H439 PolarHBondContact OE2-CD2 3.04Å; E421-H439 IonicContact OE2-CG 3.2Å
422	C	54.3	Low	57.6	Low	46 Å²	46	69.1 Å²	69.1	31%	0.311	39%	0.392	S	S	.	.	T	Hydrogen-bonded Turn	trans	-153.7	11.7	-177.1	72.2	0	0	0	0	116.4	C419 K424 H435 H439	C419-C422 PolarHBondContact O-N 3.38Å; C419-C422 VanDerWaalsContact SG-SG 3.64Å; C422-K424 PolarHBondContact O-N 3.09Å; C422-K424 VanDerWaalsContact O-N 3.16Å; C422-H435 PolarHBondContact SG-NE2 3.32Å; C422-H439 VanDerWaalsContact SG-CE1 3.54Å; C422-H439 PolarHBondContact SG-NE2 3.32Å
423	G	50.4	Low	57.8	Low	64 Å²	64	70.7 Å²	70.7	66%	0.66	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	67	12	177.2	0	0	0	0	0	115.6	C419	C419-G423 PolarHBondContact O-N 2.91Å
424	K	52.9	Low	58.1	Low	118 Å²	118	73.4 Å²	73.4	51%	0.513	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	117.7	-177.8	-71.3	173.3	-173.5	161.9	0	111.4	C419 C422 F426	C419-K424 VanDerWaalsContact CB-O 3.32Å; C419-K424 WeakPolarHBondContact CB-O 3.43Å; C419-K424 PolarHBondContact N-O 3.03Å; C422-K424 PolarHBondContact O-N 3.09Å; C422-K424 VanDerWaalsContact O-N 3.16Å; K424-F426 HydrophobicContact CB-CE2 3.81Å; K424-F426 HydrophobicContact CB-CZ 4.06Å; K424-F426 VanDerWaalsContact O-CD2 3.28Å; K424-F426 WeakPolarHBondContact O-CD2 3.49Å; K424-F426 WeakPolarHBondContact O-CE2 3.43Å
425	S	51.9	Low	58.4	Low	49 Å²	49	69.1 Å²	69.1	34%	0.343	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	140.3	179	-35.2	0	0	0	0	112.1	D418	D418-S425 WeakPolarHBondContact OD1-CA 3.35Å; D418-S425 WeakPolarHBondContact OD1-CB 3.19Å; D418-S425 PolarHBondContact OD1-OG 3.2Å
426	F	65.1	Low	58.6	Low	48 Å²	48	66.6 Å²	66.6	21%	0.211	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	149.7	-179.6	-64.2	-89.6	0	0	0	112.8	K415 Y417 C419 K424 S428 A431 L432 H435	K415-F426 CarbonylContact C-O 3.6Å; K415-F426 WeakPolarHBondContact CA-O 3.45Å; Y417-F426 WeakPolarHBondContact CD2-O 3.41Å; Y417-F426 PolarHBondContact N-O 2.91Å; Y417-F426 PolarHBondContact O-N 3.34Å; C419-F426 HydrophobicContact CB-CE2 4.29Å; K424-F426 HydrophobicContact CB-CE2 3.81Å; K424-F426 HydrophobicContact CB-CZ 4.06Å; K424-F426 VanDerWaalsContact O-CD2 3.28Å; K424-F426 WeakPolarHBondContact O-CD2 3.49Å; K424-F426 WeakPolarHBondContact O-CE2 3.43Å; F426-S428 VanDerWaalsContact C-N 3.31Å; F426-S428 PolarHBondContact O-N 2.98Å; F426-A431 HydrophobicContact CB-CB 4.27Å; F426-A431 HydrophobicContact CD1-CB 4.04Å; F426-A431 HydrophobicContact CG-CB 4.44Å; F426-L432 HydrophobicContact CB-CB 4.34Å; F426-L432 HydrophobicContact CD2-CB 4.12Å; F426-L432 HydrophobicContact CD2-CD1 3.92Å; F426-L432 HydrophobicContact CE2-CD1 4.22Å; F426-L432 HydrophobicContact CG-CB 4.4Å; F426-H435 HydrophobicContact CE1-CB 4.02Å; F426-H435 HydrophobicContact CE2-CB 3.89Å; F426-H435 AromaticContact CE2-CD2 3.29Å; F426-H435 WeakPolarHBondContact CE2-CD2 3.41Å; F426-H435 AromaticContact CE2-CG 3.62Å; F426-H435 HydrophobicContact CZ-CB 3.53Å; F426-H435 AromaticContact CZ-CD2 3.37Å; F426-H435 WeakPolarHBondContact CZ-CD2 3.27Å; F426-H435 AromaticContact CZ-CG 3.24Å; F426-H435 AromaticContact CZ-ND1 3.76Å; F426-H435 AromaticContact CZ-NE2 3.94Å
427	A	51.8	Low	58.7	Low	28 Å²	28	66.7 Å²	66.7	23%	0.231	36%	0.36	C	S	.	.	S	Bend	trans	-77	-12.2	178.9	0	0	0	0	0	114.3	R409	R409-A427 HydrophobicContact CB-CB 4.45Å; R409-A427 PolarHBondContact NH1-O 3.31Å
428	S	60.6	Low	58.2	Low	21 Å²	21	67.9 Å²	67.9	15%	0.147	37%	0.372	C	S	.	.	S	Bend	trans	-145.5	142	174.4	69.6	0	0	0	0	112.5	Y417 F426 S430 A431 L432	Y417-S428 VanDerWaalsContact CD2-CA 3.46Å; F426-S428 VanDerWaalsContact C-N 3.31Å; F426-S428 PolarHBondContact O-N 2.98Å; S428-S430 PolarHBondContact O-N 3.36Å; S428-S430 PolarHBondContact OG-OG 3.37Å; S428-S430 VanDerWaalsContact OG-OG 3.07Å; S428-A431 WeakPolarHBondContact O-CB 3.48Å; S428-A431 PolarHBondContact O-N 2.95Å; S428-A431 PolarHBondContact OG-N 3.42Å; S428-L432 PolarHBondContact O-N 3.29Å
429	G	54.8	Low	58	Low	20 Å²	20	66.9 Å²	66.9	21%	0.206	36%	0.364	C	S	.	.	H	α-helix	trans	-62.3	-24.6	178.1	0	0	0	0	0	114.1	Y417 A431 L432 L433	Y417-G429 VanDerWaalsContact CD2-N 3.29Å; G429-A431 VanDerWaalsContact C-N 3.35Å; G429-L432 PolarHBondContact O-N 3.23Å; G429-L433 WeakPolarHBondContact O-CB 3.39Å; G429-L433 WeakPolarHBondContact O-CG 3.41Å; G429-L433 PolarHBondContact O-N 2.97Å
430	S	59.3	Low	57.7	Low	87 Å²	87	70.7 Å²	70.7	61%	0.608	39%	0.387	S	S	*	.	H	α-helix	trans	-66.7	-33.8	171.3	51	0	0	0	0	113.1	S428 Q434	S428-S430 PolarHBondContact O-N 3.36Å; S428-S430 PolarHBondContact OG-OG 3.37Å; S428-S430 VanDerWaalsContact OG-OG 3.07Å; S430-Q434 VanDerWaalsContact O-CB 3.24Å; S430-Q434 WeakPolarHBondContact O-CB 3.3Å; S430-Q434 PolarHBondContact O-N 2.82Å; S430-Q434 VanDerWaalsContact O-N 3.09Å
431	A	56.4	Low	57.2	Low	29 Å²	29	62.5 Å²	62.5	24%	0.24	36%	0.362	C	S	.	.	H	α-helix	trans	-75.5	-35.2	174.4	0	0	0	0	0	111.6	F426 S428 G429 Q434 H435	F426-A431 HydrophobicContact CB-CB 4.27Å; F426-A431 HydrophobicContact CD1-CB 4.04Å; F426-A431 HydrophobicContact CG-CB 4.44Å; S428-A431 WeakPolarHBondContact O-CB 3.48Å; S428-A431 PolarHBondContact O-N 2.95Å; S428-A431 PolarHBondContact OG-N 3.42Å; G429-A431 VanDerWaalsContact C-N 3.35Å; A431-Q434 WeakPolarHBondContact O-CB 3.34Å; A431-Q434 PolarHBondContact O-N 2.98Å; A431-H435 VanDerWaalsContact O-CB 3.32Å; A431-H435 WeakPolarHBondContact O-CB 3.36Å; A431-H435 PolarHBondContact O-N 3.44Å
432	L	66.6	Low	57.2	Low	22 Å²	22	62.2 Å²	62.2	12%	0.115	36%	0.361	C	S	.	.	H	α-helix	trans	-62.2	-51.7	171.4	174	60.7	0	0	0	111.6	C419 F426 S428 G429 Q434 H435 Q436	C419-L432 HydrophobicContact CB-CD1 3.52Å; F426-L432 HydrophobicContact CB-CB 4.34Å; F426-L432 HydrophobicContact CD2-CB 4.12Å; F426-L432 HydrophobicContact CD2-CD1 3.92Å; F426-L432 HydrophobicContact CE2-CD1 4.22Å; F426-L432 HydrophobicContact CG-CB 4.4Å; S428-L432 PolarHBondContact O-N 3.29Å; G429-L432 PolarHBondContact O-N 3.23Å; L432-Q434 PolarHBondContact O-N 2.99Å; L432-H435 CarbonylContact O-C 3.16Å; L432-H435 WeakPolarHBondContact O-CA 3.42Å; L432-H435 WeakPolarHBondContact O-CB 3.33Å; L432-H435 PolarHBondContact O-N 2.8Å; L432-Q436 HydrophobicContact CD1-CG 4.03Å; L432-Q436 HydrophobicContact CG-CG 4.45Å; L432-Q436 WeakPolarHBondContact O-CG 3.2Å; L432-Q436 PolarHBondContact O-N 3.2Å
433	L	60	Low	57.2	Low	115 Å²	115	65.7 Å²	65.7	60%	0.602	37%	0.371	S	S	*	.	H	α-helix	trans	-61.2	-31.6	176.7	-72	166.9	0	0	0	112.6	G429	G429-L433 WeakPolarHBondContact O-CB 3.39Å; G429-L433 WeakPolarHBondContact O-CG 3.41Å; G429-L433 PolarHBondContact O-N 2.97Å
434	Q	58.4	Low	57.8	Low	97 Å²	97	65.9 Å²	65.9	45%	0.453	36%	0.361	S	S	.	.	H	α-helix	trans	-69.5	-33.2	171.4	172	166.4	24.3	0	0	112.6	S430 A431 L432 F456	S430-Q434 VanDerWaalsContact O-CB 3.24Å; S430-Q434 WeakPolarHBondContact O-CB 3.3Å; S430-Q434 PolarHBondContact O-N 2.82Å; S430-Q434 VanDerWaalsContact O-N 3.09Å; A431-Q434 WeakPolarHBondContact O-CB 3.34Å; A431-Q434 PolarHBondContact O-N 2.98Å; L432-Q434 PolarHBondContact O-N 2.99Å; Q434-F456 HydrophobicContact CG-CE1 3.62Å; Q434-F456 HydrophobicContact CG-CZ 3.58Å; Q434-F456 VanDerWaalsContact NE2-CE1 3.29Å
435	H	63.3	Low	58.3	Low	21 Å²	21	64 Å²	64	10%	0.097	35%	0.351	C	S	.	.	H	α-helix	trans	-78.4	-38.3	179.4	174	61.6	0	0	0	113.1	C422 F426 A431 L432 R437 I438 H439	C422-H435 PolarHBondContact SG-NE2 3.32Å; F426-H435 HydrophobicContact CE1-CB 4.02Å; F426-H435 HydrophobicContact CE2-CB 3.89Å; F426-H435 AromaticContact CE2-CD2 3.29Å; F426-H435 WeakPolarHBondContact CE2-CD2 3.41Å; F426-H435 AromaticContact CE2-CG 3.62Å; F426-H435 HydrophobicContact CZ-CB 3.53Å; F426-H435 AromaticContact CZ-CD2 3.37Å; F426-H435 WeakPolarHBondContact CZ-CD2 3.27Å; F426-H435 AromaticContact CZ-CG 3.24Å; F426-H435 AromaticContact CZ-ND1 3.76Å; F426-H435 AromaticContact CZ-NE2 3.94Å; A431-H435 VanDerWaalsContact O-CB 3.32Å; A431-H435 WeakPolarHBondContact O-CB 3.36Å; A431-H435 PolarHBondContact O-N 3.44Å; L432-H435 CarbonylContact O-C 3.16Å; L432-H435 WeakPolarHBondContact O-CA 3.42Å; L432-H435 WeakPolarHBondContact O-CB 3.33Å; L432-H435 PolarHBondContact O-N 2.8Å; H435-R437 PolarHBondContact O-N 3.1Å; H435-R437 VanDerWaalsContact O-N 3.12Å; H435-I438 VanDerWaalsContact O-CB 3.24Å; H435-I438 WeakPolarHBondContact O-CB 3.42Å; H435-I438 VanDerWaalsContact O-CG1 3.31Å; H435-I438 WeakPolarHBondContact O-CG1 3.13Å; H435-I438 PolarHBondContact O-N 3.08Å; H435-H439 AromaticContact CD2-NE2 3.7Å; H435-H439 AromaticContact CE1-CE1 3.86Å; H435-H439 AromaticContact CE1-NE2 3.65Å; H435-H439 AromaticContact NE2-CE1 3.65Å; H435-H439 AromaticContact NE2-NE2 3.07Å; H435-H439 PolarHBondContact NE2-NE2 3.19Å
436	Q	62.4	Low	57.9	Low	61 Å²	61	65 Å²	65	29%	0.285	36%	0.357	S	S	.	.	H	α-helix	trans	-59.6	-25.4	-179.1	-72.2	175	-73.4	0	0	113.4	L432 I438 H439 T440	L432-Q436 HydrophobicContact CD1-CG 4.03Å; L432-Q436 HydrophobicContact CG-CG 4.45Å; L432-Q436 WeakPolarHBondContact O-CG 3.2Å; L432-Q436 PolarHBondContact O-N 3.2Å; Q436-I438 PolarHBondContact O-N 2.88Å; Q436-H439 PolarHBondContact O-N 2.87Å; Q436-T440 PolarHBondContact O-N 2.84Å; Q436-T440 PolarHBondContact O-OG1 3.36Å
437	R	67.8	Low	57.6	Low	72 Å²	72	62.8 Å²	62.8	27%	0.272	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-9.4	170	-63.5	-169.3	-177.6	139.3	13.9	115.1	H435 G441 E442 T455	H435-R437 PolarHBondContact O-N 3.1Å; H435-R437 VanDerWaalsContact O-N 3.12Å; R437-G441 PolarHBondContact O-N 3.26Å; R437-E442 HydrophobicContact CB-CB 4.28Å; R437-E442 HydrophobicContact CG-CB 4.08Å; R437-E442 IonicContact NE-OE2 3.28Å; R437-E442 PolarHBondContact O-N 2.94Å; R437-T455 HydrophobicContact CB-CG2 4.5Å
438	I	53	Low	57.7	Low	118 Å²	118	71.3 Å²	71.3	61%	0.605	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.4	-34.2	171.2	-59.6	179.2	0	0	0	110.3	H435 Q436	H435-I438 VanDerWaalsContact O-CB 3.24Å; H435-I438 WeakPolarHBondContact O-CB 3.42Å; H435-I438 VanDerWaalsContact O-CG1 3.31Å; H435-I438 WeakPolarHBondContact O-CG1 3.13Å; H435-I438 PolarHBondContact O-N 3.08Å; Q436-I438 PolarHBondContact O-N 2.88Å
439	H	51.7	Low	57.3	Low	70 Å²	70	74.7 Å²	74.7	32%	0.324	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.2	-45.8	-178.3	-48.5	-46.1	0	0	0	111.3	C419 E421 C422 H435 Q436 G441	C419-H439 PolarHBondContact SG-CD2 2.94Å; C419-H439 PolarHBondContact SG-NE2 3.02Å; E421-H439 IonicContact OE2-CD2 3.87Å; E421-H439 PolarHBondContact OE2-CD2 3.04Å; E421-H439 IonicContact OE2-CG 3.2Å; C422-H439 VanDerWaalsContact SG-CE1 3.54Å; C422-H439 PolarHBondContact SG-NE2 3.32Å; H435-H439 AromaticContact CD2-NE2 3.7Å; H435-H439 AromaticContact CE1-CE1 3.86Å; H435-H439 AromaticContact CE1-NE2 3.65Å; H435-H439 AromaticContact NE2-CE1 3.65Å; H435-H439 AromaticContact NE2-NE2 3.07Å; H435-H439 PolarHBondContact NE2-NE2 3.19Å; Q436-H439 PolarHBondContact O-N 2.87Å; H439-G441 PolarHBondContact O-N 3.16Å
440	T	54.3	Low	57.1	Low	81 Å²	81	76 Å²	76	50%	0.497	40%	0.398	S	S	.	.	S	Bend	trans	-71.7	-7.1	174.6	65.2	0	0	0	0	113.6	Q436 E442	Q436-T440 PolarHBondContact O-N 2.84Å; Q436-T440 PolarHBondContact O-OG1 3.36Å; T440-E442 PolarHBondContact O-N 3.05Å
441	G	52.1	Low	56.6	Low	37 Å²	37	74.5 Å²	74.5	38%	0.381	40%	0.396	S	S	.	.			trans	68	-2.1	-178.4	0	0	0	0	0	115.6	R437 H439 K443	R437-G441 PolarHBondContact O-N 3.26Å; H439-G441 PolarHBondContact O-N 3.16Å; G441-K443 WeakPolarHBondContact O-CG 3.34Å; G441-K443 PolarHBondContact O-N 2.94Å
442	E	54.3	Low	56.2	Low	102 Å²	102	79.2 Å²	79.2	48%	0.477	41%	0.411	S	S	.	.			trans	-53	121.2	-174	-84.5	-171	-176.1	0	0	113.2	R437 T440 P444 T455	R437-E442 HydrophobicContact CB-CB 4.28Å; R437-E442 HydrophobicContact CG-CB 4.08Å; R437-E442 IonicContact NE-OE2 3.28Å; R437-E442 PolarHBondContact O-N 2.94Å; T440-E442 PolarHBondContact O-N 3.05Å; E442-P444 HydrophobicContact CB-CG 4.49Å; E442-T455 WeakPolarHBondContact O-CG2 3.41Å
443	K	54.3	Low	55.3	Low	119 Å²	119	80.6 Å²	80.6	52%	0.517	42%	0.423	S	S	.	.			trans	-126.4	71.6	176	-71.9	152.8	-176.1	163.5	0	110.9	G441 Y445 S453 F454 T455	G441-K443 WeakPolarHBondContact O-CG 3.34Å; G441-K443 PolarHBondContact O-N 2.94Å; K443-Y445 PolarHBondContact O-N 2.8Å; K443-S453 VanDerWaalsContact CB-CB 3.43Å; K443-S453 WeakPolarHBondContact O-CB 3.23Å; K443-F454 CarbonylContact C-O 3.57Å; K443-F454 WeakPolarHBondContact CA-O 3.33Å; K443-T455 HydrophobicContact CG-CG2 4.14Å
444	P	63.1	Low	55.6	Low	69 Å²	69	77.3 Å²	77.3	45%	0.448	40%	0.404	S	S	.	.			trans	-69.2	0.9	-167.1	-20.4	34.6	0	0	0	115.9	E442	E442-P444 HydrophobicContact CB-CG 4.49Å
445	Y	62.7	Low	55.1	Low	78 Å²	78	74.5 Å²	74.5	31%	0.306	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	76	-174.1	-55.3	-77.4	0	0	0	111	K443 F454 T455 F456 R457 R460	K443-Y445 PolarHBondContact O-N 2.8Å; Y445-F454 WeakPolarHBondContact CB-O 3.11Å; Y445-F454 WeakPolarHBondContact CD2-O 3.23Å; Y445-F454 PolarHBondContact N-O 3.3Å; Y445-F454 PolarHBondContact O-N 3.25Å; Y445-T455 WeakPolarHBondContact CD2-O 3.29Å; Y445-T455 WeakPolarHBondContact CE2-O 3.32Å; Y445-F456 VanDerWaalsContact CD2-CA 3.46Å; Y445-R457 HydrophobicContact CD1-CB 3.75Å; Y445-R457 HydrophobicContact CD1-CG 4.44Å; Y445-R457 HydrophobicContact CE1-CB 3.79Å; Y445-R457 HydrophobicContact CG-CB 4.24Å; Y445-R460 WeakPolarHBondContact O-CD 3.44Å; Y445-R460 WeakPolarHBondContact O-CG 3.47Å
446	C	44.7	Very low	55	Low	69 Å²	69	76.1 Å²	76.1	47%	0.466	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	139.3	175.6	-52.4	0	0	0	0	112.4	S453 R460	C446-S453 PolarHBondContact SG-OG 2.87Å; C446-S453 VanDerWaalsContact SG-OG 3.41Å; C446-R460 WeakPolarHBondContact O-CD 3.47Å
447	C	57.4	Low	54.6	Low	2 Å²	2	79.3 Å²	79.3	1%	0.014	41%	0.41	C	S	.	.			trans	-83.6	122.5	167.9	-165.1	0	0	0	0	109.5	E449 G451 K452 F454 R460 H467	C447-E449 VanDerWaalsContact C-N 3.32Å; C447-E449 PolarHBondContact O-N 3.09Å; C447-E449 PolarHBondContact SG-OE2 3.2Å; C447-G451 WeakPolarHBondContact O-CA 3.37Å; C447-G451 PolarHBondContact O-N 3.25Å; C447-G451 VanDerWaalsContact O-N 3.08Å; C447-K452 WeakPolarHBondContact CB-O 3.35Å; C447-K452 PolarHBondContact N-O 3.42Å; C447-F454 HydrophobicContact CB-CE2 4.33Å; C447-R460 HydrophobicContact CB-CG 4.45Å; C447-H467 VanDerWaalsContact SG-CD2 3.53Å; C447-H467 PolarHBondContact SG-NE2 2.77Å; C447-H467 VanDerWaalsContact SG-NE2 3.36Å
448	K	55.7	Low	53.8	Low	207 Å²	207	80.1 Å²	80.1	90%	0.9	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.8	-36	-178.4	-73.8	-166.5	171.3	-165.2	0	112.5	C450	K448-C450 PolarHBondContact O-N 3.29Å
449	E	51.1	Low	53.9	Low	93 Å²	93	76.2 Å²	76.2	44%	0.435	41%	0.408	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-12.1	-172.1	-59.8	130.2	118	0	0	114.9	C447 Q464 H467	C447-E449 VanDerWaalsContact C-N 3.32Å; C447-E449 PolarHBondContact O-N 3.09Å; C447-E449 PolarHBondContact SG-OE2 3.2Å; E449-Q464 PolarHBondContact OE2-NE2 3.38Å; E449-H467 HydrophobicContact CB-CB 4.34Å; E449-H467 HydrophobicContact CG-CB 4.48Å; E449-H467 WeakPolarHBondContact OE1-CB 3.19Å; E449-H467 IonicContact OE2-CD2 3.38Å
450	C	49.9	Very low	54.7	Low	47 Å²	47	75.1 Å²	75.1	32%	0.318	40%	0.401	S	S	.	.	T	Hydrogen-bonded Turn	trans	-153.8	14.1	-175.6	75.3	0	0	0	0	115.2	K448 K452 H463 H467	K448-C450 PolarHBondContact O-N 3.29Å; C450-K452 PolarHBondContact O-N 2.57Å; C450-H463 PolarHBondContact SG-NE2 2.99Å; C450-H467 VanDerWaalsContact SG-CE1 3.54Å; C450-H467 PolarHBondContact SG-NE2 3.22Å
451	G	49.5	Very low	55	Low	55 Å²	55	74.5 Å²	74.5	57%	0.567	40%	0.395	S	S	*	.			trans	66.3	-10.6	-179.5	0	0	0	0	0	116.6	C447 S453	C447-G451 WeakPolarHBondContact O-CA 3.37Å; C447-G451 PolarHBondContact O-N 3.25Å; C447-G451 VanDerWaalsContact O-N 3.08Å; G451-S453 PolarHBondContact O-N 2.8Å; G451-S453 PolarHBondContact O-OG 2.77Å
452	K	48.5	Very low	55.3	Low	129 Å²	129	79 Å²	79	56%	0.561	40%	0.4	S	S	*	.			trans	-67.6	123.3	-171.6	-72.3	172.8	-176.5	165.9	0	112.2	C447 C450 F454	C447-K452 WeakPolarHBondContact CB-O 3.35Å; C447-K452 PolarHBondContact N-O 3.42Å; C450-K452 PolarHBondContact O-N 2.57Å; K452-F454 HydrophobicContact CB-CE2 3.86Å; K452-F454 HydrophobicContact CB-CZ 4.12Å; K452-F454 VanDerWaalsContact O-CD2 3.28Å; K452-F454 WeakPolarHBondContact O-CD2 3.46Å; K452-F454 WeakPolarHBondContact O-CE2 3.35Å
453	S	48.2	Very low	55.6	Low	51 Å²	51	75.4 Å²	75.4	36%	0.357	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	133.8	-175.9	-43.6	0	0	0	0	112.3	K443 C446 G451	K443-S453 VanDerWaalsContact CB-CB 3.43Å; K443-S453 WeakPolarHBondContact O-CB 3.23Å; C446-S453 PolarHBondContact SG-OG 2.87Å; C446-S453 VanDerWaalsContact SG-OG 3.41Å; G451-S453 PolarHBondContact O-N 2.8Å; G451-S453 PolarHBondContact O-OG 2.77Å
454	F	65.6	Low	55.9	Low	46 Å²	46	72 Å²	72	20%	0.202	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	150.2	-178.3	-62	-91.2	0	0	0	112.4	K443 Y445 C447 K452 F456 R460 H463	K443-F454 CarbonylContact C-O 3.57Å; K443-F454 WeakPolarHBondContact CA-O 3.33Å; Y445-F454 WeakPolarHBondContact CB-O 3.11Å; Y445-F454 WeakPolarHBondContact CD2-O 3.23Å; Y445-F454 PolarHBondContact N-O 3.3Å; Y445-F454 PolarHBondContact O-N 3.25Å; C447-F454 HydrophobicContact CB-CE2 4.33Å; K452-F454 HydrophobicContact CB-CE2 3.86Å; K452-F454 HydrophobicContact CB-CZ 4.12Å; K452-F454 VanDerWaalsContact O-CD2 3.28Å; K452-F454 WeakPolarHBondContact O-CD2 3.46Å; K452-F454 WeakPolarHBondContact O-CE2 3.35Å; F454-F456 VanDerWaalsContact C-N 3.29Å; F454-F456 PolarHBondContact O-N 2.88Å; F454-R460 HydrophobicContact CB-CB 4.09Å; F454-R460 HydrophobicContact CD2-CB 3.87Å; F454-R460 HydrophobicContact CD2-CG 3.93Å; F454-R460 HydrophobicContact CG-CB 4.13Å; F454-H463 HydrophobicContact CE1-CB 4.13Å; F454-H463 HydrophobicContact CE2-CB 3.99Å; F454-H463 AromaticContact CE2-CD2 3.27Å; F454-H463 WeakPolarHBondContact CE2-CD2 3.37Å; F454-H463 AromaticContact CE2-CG 3.69Å; F454-H463 AromaticContact CE2-NE2 3.96Å; F454-H463 HydrophobicContact CZ-CB 3.62Å; F454-H463 AromaticContact CZ-CD2 3.32Å; F454-H463 WeakPolarHBondContact CZ-CD2 3.24Å; F454-H463 AromaticContact CZ-CG 3.3Å; F454-H463 AromaticContact CZ-ND1 3.84Å; F454-H463 AromaticContact CZ-NE2 3.86Å
455	T	47.6	Very low	55.9	Low	38 Å²	38	72 Å²	72	23%	0.233	36%	0.36	C	S	.	.	S	Bend	trans	-70.8	-20.1	175.4	45.2	0	0	0	0	113.7	R437 E442 K443 Y445	R437-T455 HydrophobicContact CB-CG2 4.5Å; E442-T455 WeakPolarHBondContact O-CG2 3.41Å; K443-T455 HydrophobicContact CG-CG2 4.14Å; Y445-T455 WeakPolarHBondContact CD2-O 3.29Å; Y445-T455 WeakPolarHBondContact CE2-O 3.32Å
456	F	61.1	Low	55.5	Low	55 Å²	55	74.1 Å²	74.1	24%	0.241	38%	0.375	C	S	.	.			trans	-137.4	141.6	-177.3	-47.3	-58.7	0	0	0	113.5	Q434 Y445 F454 S458 T459 R460	Q434-F456 HydrophobicContact CG-CE1 3.62Å; Q434-F456 HydrophobicContact CG-CZ 3.58Å; Q434-F456 VanDerWaalsContact NE2-CE1 3.29Å; Y445-F456 VanDerWaalsContact CD2-CA 3.46Å; F454-F456 VanDerWaalsContact C-N 3.29Å; F454-F456 PolarHBondContact O-N 2.88Å; F456-S458 VanDerWaalsContact C-N 3.25Å; F456-S458 PolarHBondContact O-N 2.91Å; F456-T459 HydrophobicContact CD2-CG2 4.27Å; F456-T459 PolarHBondContact O-N 3.48Å; F456-T459 PolarHBondContact O-OG1 3.33Å; F456-R460 PolarHBondContact O-N 3.43Å; F456-R460 VanDerWaalsContact O-N 3.08Å
457	R	53.3	Low	55.9	Low	128 Å²	128	74.2 Å²	74.2	48%	0.483	37%	0.369	S	S	.	.	H	α-helix	trans	-57.9	-36.1	173.4	-176	176.5	170	114.7	-1.2	112.5	Y445 N461	Y445-R457 HydrophobicContact CD1-CB 3.75Å; Y445-R457 HydrophobicContact CD1-CG 4.44Å; Y445-R457 HydrophobicContact CE1-CB 3.79Å; Y445-R457 HydrophobicContact CG-CB 4.24Å; R457-N461 VanDerWaalsContact O-CB 3.31Å; R457-N461 WeakPolarHBondContact O-CB 3.23Å; R457-N461 PolarHBondContact O-N 3.11Å; R457-N461 PolarHBondContact O-OD1 2.85Å; R457-N461 VanDerWaalsContact O-OD1 3.14Å
458	S	51.3	Low	55.7	Low	88 Å²	88	77.8 Å²	77.8	62%	0.615	39%	0.391	S	S	*	.	H	α-helix	trans	-68.6	-36.8	179.6	52.2	0	0	0	0	113	F456 R462	F456-S458 VanDerWaalsContact C-N 3.25Å; F456-S458 PolarHBondContact O-N 2.91Å; S458-R462 WeakPolarHBondContact O-CB 3.48Å; S458-R462 PolarHBondContact O-N 3.06Å; S458-R462 VanDerWaalsContact O-N 3.09Å
459	T	55.7	Low	55.5	Low	36 Å²	36	70 Å²	70	22%	0.221	37%	0.369	C	S	.	.	H	α-helix	trans	-74.9	-38.2	175.7	52.3	0	0	0	0	111.5	F456 R462 H463	F456-T459 HydrophobicContact CD2-CG2 4.27Å; F456-T459 PolarHBondContact O-N 3.48Å; F456-T459 PolarHBondContact O-OG1 3.33Å; T459-R462 PolarHBondContact O-N 3.19Å; T459-H463 WeakPolarHBondContact O-CB 3.45Å; T459-H463 PolarHBondContact O-N 3.37Å
460	R	68.1	Low	55.7	Low	48 Å²	48	70.2 Å²	70.2	18%	0.181	37%	0.37	C	S	.	.	H	α-helix	trans	-59.9	-51.7	169.7	-170.9	-155.8	63.2	171.6	7.2	111.9	Y445 C446 C447 F454 F456 R462 H463 Q464	Y445-R460 WeakPolarHBondContact O-CD 3.44Å; Y445-R460 WeakPolarHBondContact O-CG 3.47Å; C446-R460 WeakPolarHBondContact O-CD 3.47Å; C447-R460 HydrophobicContact CB-CG 4.45Å; F454-R460 HydrophobicContact CB-CB 4.09Å; F454-R460 HydrophobicContact CD2-CB 3.87Å; F454-R460 HydrophobicContact CD2-CG 3.93Å; F454-R460 HydrophobicContact CG-CB 4.13Å; F456-R460 PolarHBondContact O-N 3.43Å; F456-R460 VanDerWaalsContact O-N 3.08Å; R460-R462 PolarHBondContact O-N 2.99Å; R460-H463 CarbonylContact O-C 3.14Å; R460-H463 WeakPolarHBondContact O-CA 3.37Å; R460-H463 VanDerWaalsContact O-CB 3.32Å; R460-H463 WeakPolarHBondContact O-CB 3.29Å; R460-H463 PolarHBondContact O-N 3.5Å; R460-Q464 PolarHBondContact O-N 2.71Å
461	N	61.1	Low	56.1	Low	68 Å²	68	73.8 Å²	73.8	36%	0.364	38%	0.38	S	S	.	.	H	α-helix	trans	-62.1	-31.4	-179.7	-80.1	38.7	0	0	0	112.3	R457	R457-N461 VanDerWaalsContact O-CB 3.31Å; R457-N461 WeakPolarHBondContact O-CB 3.23Å; R457-N461 PolarHBondContact O-N 3.11Å; R457-N461 PolarHBondContact O-OD1 2.85Å; R457-N461 VanDerWaalsContact O-OD1 3.14Å
462	R	57.4	Low	56.7	Low	130 Å²	130	74.5 Å²	74.5	49%	0.491	38%	0.375	S	S	.	.	H	α-helix	trans	-72.3	-29.5	170.2	-174.2	175.5	65.1	-165.2	-0.9	112.8	S458 T459 R460	S458-R462 WeakPolarHBondContact O-CB 3.48Å; S458-R462 PolarHBondContact O-N 3.06Å; S458-R462 VanDerWaalsContact O-N 3.09Å; T459-R462 PolarHBondContact O-N 3.19Å; R460-R462 PolarHBondContact O-N 2.99Å
463	H	61.5	Low	57.4	Low	27 Å²	27	72.7 Å²	72.7	13%	0.125	37%	0.365	C	S	.	.	H	α-helix	trans	-73.5	-36.2	175.3	173.1	64.7	0	0	0	112.6	C450 F454 T459 R460 R465 I466 H467	C450-H463 PolarHBondContact SG-NE2 2.99Å; F454-H463 HydrophobicContact CE1-CB 4.13Å; F454-H463 HydrophobicContact CE2-CB 3.99Å; F454-H463 AromaticContact CE2-CD2 3.27Å; F454-H463 WeakPolarHBondContact CE2-CD2 3.37Å; F454-H463 AromaticContact CE2-CG 3.69Å; F454-H463 AromaticContact CE2-NE2 3.96Å; F454-H463 HydrophobicContact CZ-CB 3.62Å; F454-H463 AromaticContact CZ-CD2 3.32Å; F454-H463 WeakPolarHBondContact CZ-CD2 3.24Å; F454-H463 AromaticContact CZ-CG 3.3Å; F454-H463 AromaticContact CZ-ND1 3.84Å; F454-H463 AromaticContact CZ-NE2 3.86Å; T459-H463 WeakPolarHBondContact O-CB 3.45Å; T459-H463 PolarHBondContact O-N 3.37Å; R460-H463 CarbonylContact O-C 3.14Å; R460-H463 WeakPolarHBondContact O-CA 3.37Å; R460-H463 VanDerWaalsContact O-CB 3.32Å; R460-H463 WeakPolarHBondContact O-CB 3.29Å; R460-H463 PolarHBondContact O-N 3.5Å; H463-R465 PolarHBondContact O-N 3.45Å; H463-I466 VanDerWaalsContact O-CB 3.23Å; H463-I466 WeakPolarHBondContact O-CB 3.37Å; H463-I466 WeakPolarHBondContact O-CG1 3.36Å; H463-I466 PolarHBondContact O-N 2.99Å; H463-H467 AromaticContact CD2-NE2 3.86Å; H463-H467 AromaticContact CE1-NE2 3.88Å; H463-H467 AromaticContact NE2-CE1 3.87Å; H463-H467 AromaticContact NE2-NE2 3.31Å; H463-H467 PolarHBondContact NE2-NE2 3.18Å
464	Q	59.6	Low	57.6	Low	48 Å²	48	75 Å²	75	22%	0.224	37%	0.373	C	S	.	.	H	α-helix	trans	-59.6	-28.1	178	-69.3	-173.7	-94.9	0	0	113.1	E449 R460 I466 H467 T468	E449-Q464 PolarHBondContact OE2-NE2 3.38Å; R460-Q464 PolarHBondContact O-N 2.71Å; Q464-I466 PolarHBondContact O-N 2.91Å; Q464-H467 PolarHBondContact O-N 3.12Å; Q464-T468 PolarHBondContact O-N 3.38Å
465	R	64.9	Low	57.4	Low	70 Å²	70	72.9 Å²	72.9	26%	0.264	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-7.2	170.5	-65.8	-172.2	174.5	150	3.4	115.3	H463 E470 A483	H463-R465 PolarHBondContact O-N 3.45Å; R465-E470 HydrophobicContact CB-CB 4.37Å; R465-E470 HydrophobicContact CG-CB 4.09Å; R465-E470 IonicContact NE-OE2 3.22Å; R465-A483 HydrophobicContact CB-CB 4.24Å; R465-A483 WeakPolarHBondContact CD-O 3.48Å; R465-A483 PolarHBondContact NH1-O 3.24Å
466	I	53.5	Low	57.9	Low	121 Å²	121	81 Å²	81	62%	0.621	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.2	-29	170.5	-57.7	179.7	0	0	0	110.4	H463 Q464	H463-I466 VanDerWaalsContact O-CB 3.23Å; H463-I466 WeakPolarHBondContact O-CB 3.37Å; H463-I466 WeakPolarHBondContact O-CG1 3.36Å; H463-I466 PolarHBondContact O-N 2.99Å; Q464-I466 PolarHBondContact O-N 2.91Å
467	H	52.5	Low	57.3	Low	72 Å²	72	83.6 Å²	83.6	33%	0.333	41%	0.409	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.2	-47.2	177.6	-51.5	-49	0	0	0	111.3	C447 E449 C450 H463 Q464 G469	C447-H467 VanDerWaalsContact SG-CD2 3.53Å; C447-H467 PolarHBondContact SG-NE2 2.77Å; C447-H467 VanDerWaalsContact SG-NE2 3.36Å; E449-H467 HydrophobicContact CB-CB 4.34Å; E449-H467 HydrophobicContact CG-CB 4.48Å; E449-H467 WeakPolarHBondContact OE1-CB 3.19Å; E449-H467 IonicContact OE2-CD2 3.38Å; C450-H467 VanDerWaalsContact SG-CE1 3.54Å; C450-H467 PolarHBondContact SG-NE2 3.22Å; H463-H467 AromaticContact CD2-NE2 3.86Å; H463-H467 AromaticContact CE1-NE2 3.88Å; H463-H467 AromaticContact NE2-CE1 3.87Å; H463-H467 AromaticContact NE2-NE2 3.31Å; H463-H467 PolarHBondContact NE2-NE2 3.18Å; Q464-H467 PolarHBondContact O-N 3.12Å; H467-G469 PolarHBondContact O-N 3.04Å
468	T	53.3	Low	57.1	Low	76 Å²	76	80 Å²	80	47%	0.466	40%	0.403	S	S	.	.	S	Bend	trans	-74	-3.7	178.2	65.8	0	0	0	0	114	Q464 E470	Q464-T468 PolarHBondContact O-N 3.38Å; T468-E470 PolarHBondContact O-N 3.01Å; T468-E470 WeakPolarHBondContact OG1-CG 3.49Å
469	G	52.6	Low	57	Low	43 Å²	43	78.5 Å²	78.5	44%	0.443	40%	0.401	S	S	.	.			trans	67.4	-8.3	-177.1	0	0	0	0	0	115.8	H467 K471	H467-G469 PolarHBondContact O-N 3.04Å; G469-K471 WeakPolarHBondContact O-CG 3.44Å; G469-K471 PolarHBondContact O-N 3.32Å
470	E	54.5	Low	56.8	Low	99 Å²	99	82.7 Å²	82.7	46%	0.463	42%	0.416	S	S	.	.			trans	-53.6	124	-174.6	-79.9	-178	-167.4	0	0	113.5	R465 T468 P472	R465-E470 HydrophobicContact CB-CB 4.37Å; R465-E470 HydrophobicContact CG-CB 4.09Å; R465-E470 IonicContact NE-OE2 3.22Å; T468-E470 PolarHBondContact O-N 3.01Å; T468-E470 WeakPolarHBondContact OG1-CG 3.49Å; E470-P472 HydrophobicContact CB-CG 4.48Å
471	K	58.7	Low	55.9	Low	122 Å²	122	82.8 Å²	82.8	53%	0.53	43%	0.425	S	S	.	.			trans	-127.8	71.6	175.1	-68.5	158.8	-171.7	164.6	0	110.9	G469 Y473 F482	G469-K471 WeakPolarHBondContact O-CG 3.44Å; G469-K471 PolarHBondContact O-N 3.32Å; K471-Y473 PolarHBondContact O-N 3.04Å; K471-F482 CarbonylContact C-O 3.06Å; K471-F482 WeakPolarHBondContact CA-O 3.44Å
472	P	60.9	Low	56.2	Low	70 Å²	70	81.9 Å²	81.9	46%	0.455	42%	0.417	S	S	.	.			trans	-68	-5	-167.8	-21.4	34.9	0	0	0	116	E470	E470-P472 HydrophobicContact CB-CG 4.48Å
473	Y	64	Low	55.8	Low	91 Å²	91	77.1 Å²	77.1	36%	0.357	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	89.5	-173.7	-58	-87.9	0	0	0	109.9	K471 F482 S484 G485	K471-Y473 PolarHBondContact O-N 3.04Å; Y473-F482 WeakPolarHBondContact CB-O 3.48Å; Y473-F482 WeakPolarHBondContact CD2-O 3.35Å; Y473-F482 PolarHBondContact N-O 3.37Å; Y473-F482 VanDerWaalsContact N-O 3.12Å; Y473-F482 PolarHBondContact O-N 3.41Å; Y473-S484 VanDerWaalsContact CD2-C 3.47Å; Y473-S484 VanDerWaalsContact CD2-CA 3.46Å; Y473-G485 VanDerWaalsContact CD1-CA 3.41Å
474	N	53.2	Low	55.7	Low	98 Å²	98	77 Å²	77	52%	0.524	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	135.7	-179.2	-68.8	-31.8	0	0	0	112.4	S481	N474-S481 WeakPolarHBondContact OD1-CA 3.42Å; N474-S481 WeakPolarHBondContact OD1-CB 3.41Å; N474-S481 PolarHBondContact OD1-OG 2.99Å
475	C	59.8	Low	55.3	Low	2 Å²	2	75.7 Å²	75.7	1%	0.014	41%	0.407	C	S	.	.			trans	-82.5	115.7	169.8	-175.4	0	0	0	0	110.6	E477 C478 G479 K480 F482 L488 H495	C475-E477 PolarHBondContact O-N 3.45Å; C475-C478 PolarHBondContact O-N 3.39Å; C475-G479 WeakPolarHBondContact O-CA 3.48Å; C475-G479 PolarHBondContact O-N 3.31Å; C475-K480 WeakPolarHBondContact CB-O 3.43Å; C475-K480 PolarHBondContact N-O 3.27Å; C475-F482 HydrophobicContact CB-CE2 4.38Å; C475-L488 HydrophobicContact CB-CD1 3.54Å; C475-H495 VanDerWaalsContact SG-CD2 3.53Å; C475-H495 PolarHBondContact SG-NE2 3.21Å
476	K	57.9	Low	54.9	Low	210 Å²	210	76 Å²	76	91%	0.913	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-28.4	-179.3	-66.6	-170.3	175.4	-171.2	0	113.6
477	E	49.3	Very low	55	Low	109 Å²	109	71.7 Å²	71.7	51%	0.509	40%	0.403	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86	-16.6	-173.1	-62.5	156.7	111.4	0	0	114	C475 H495	C475-E477 PolarHBondContact O-N 3.45Å; E477-H495 WeakPolarHBondContact OE1-CB 3.47Å; E477-H495 IonicContact OE2-CD2 3.32Å; E477-H495 PolarHBondContact OE2-CD2 3.45Å; E477-H495 VanDerWaalsContact OE2-CD2 3.22Å; E477-H495 IonicContact OE2-CG 3.94Å
478	C	50.3	Low	55.6	Low	52 Å²	52	69.4 Å²	69.4	35%	0.351	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	-148.7	10.2	-175.9	75.3	0	0	0	0	115.3	C475 K480 H491 H495	C475-C478 PolarHBondContact O-N 3.39Å; C478-K480 PolarHBondContact O-N 2.85Å; C478-H491 PolarHBondContact SG-NE2 3.14Å; C478-H495 PolarHBondContact SG-NE2 3.43Å; C478-H495 VanDerWaalsContact SG-NE2 3.37Å
479	G	48.4	Very low	55.8	Low	56 Å²	56	71.2 Å²	71.2	58%	0.577	40%	0.399	S	S	*	.			trans	69	-6.9	179.8	0	0	0	0	0	115.9	C475 S481	C475-G479 WeakPolarHBondContact O-CA 3.48Å; C475-G479 PolarHBondContact O-N 3.31Å; G479-S481 PolarHBondContact O-N 3.01Å
480	K	52.3	Low	55.9	Low	124 Å²	124	73.5 Å²	73.5	54%	0.539	40%	0.398	S	S	.	.			trans	-71	125.6	-172.2	-70	-178.3	179.3	179.4	0	112.5	C475 C478 F482	C475-K480 WeakPolarHBondContact CB-O 3.43Å; C475-K480 PolarHBondContact N-O 3.27Å; C478-K480 PolarHBondContact O-N 2.85Å; K480-F482 HydrophobicContact CB-CE2 3.8Å; K480-F482 HydrophobicContact CB-CZ 4.03Å; K480-F482 WeakPolarHBondContact O-CD2 3.44Å; K480-F482 WeakPolarHBondContact O-CE2 3.45Å
481	S	49	Very low	56.2	Low	51 Å²	51	70 Å²	70	36%	0.357	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	137.2	-177.8	-40.1	0	0	0	0	112.1	N474 G479	N474-S481 WeakPolarHBondContact OD1-CA 3.42Å; N474-S481 WeakPolarHBondContact OD1-CB 3.41Å; N474-S481 PolarHBondContact OD1-OG 2.99Å; G479-S481 PolarHBondContact O-N 3.01Å
482	F	65.8	Low	56.2	Low	48 Å²	48	67 Å²	67	21%	0.211	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	148.2	-179.9	-61.8	-89.9	0	0	0	112.5	K471 Y473 C475 K480 S484 A487 L488 H491	K471-F482 CarbonylContact C-O 3.06Å; K471-F482 WeakPolarHBondContact CA-O 3.44Å; Y473-F482 WeakPolarHBondContact CB-O 3.48Å; Y473-F482 WeakPolarHBondContact CD2-O 3.35Å; Y473-F482 PolarHBondContact N-O 3.37Å; Y473-F482 VanDerWaalsContact N-O 3.12Å; Y473-F482 PolarHBondContact O-N 3.41Å; C475-F482 HydrophobicContact CB-CE2 4.38Å; K480-F482 HydrophobicContact CB-CE2 3.8Å; K480-F482 HydrophobicContact CB-CZ 4.03Å; K480-F482 WeakPolarHBondContact O-CD2 3.44Å; K480-F482 WeakPolarHBondContact O-CE2 3.45Å; F482-S484 VanDerWaalsContact C-N 3.3Å; F482-S484 PolarHBondContact O-N 3.32Å; F482-A487 HydrophobicContact CB-CB 4.33Å; F482-A487 HydrophobicContact CD1-CB 4.16Å; F482-L488 HydrophobicContact CB-CB 4.36Å; F482-L488 HydrophobicContact CD2-CB 4.15Å; F482-L488 HydrophobicContact CD2-CD1 3.97Å; F482-L488 HydrophobicContact CE2-CD1 4.26Å; F482-L488 HydrophobicContact CG-CB 4.44Å; F482-H491 HydrophobicContact CE1-CB 4.05Å; F482-H491 HydrophobicContact CE2-CB 3.91Å; F482-H491 AromaticContact CE2-CD2 3.3Å; F482-H491 WeakPolarHBondContact CE2-CD2 3.32Å; F482-H491 AromaticContact CE2-CG 3.65Å; F482-H491 HydrophobicContact CZ-CB 3.57Å; F482-H491 AromaticContact CZ-CD2 3.35Å; F482-H491 WeakPolarHBondContact CZ-CD2 3.26Å; F482-H491 AromaticContact CZ-CG 3.26Å; F482-H491 AromaticContact CZ-ND1 3.79Å; F482-H491 AromaticContact CZ-NE2 3.89Å
483	A	49.3	Very low	56.4	Low	31 Å²	31	67 Å²	67	26%	0.256	36%	0.361	S	S	.	.	S	Bend	trans	-76.7	-10	-179.8	0	0	0	0	0	114.6	R465	R465-A483 HydrophobicContact CB-CB 4.24Å; R465-A483 WeakPolarHBondContact CD-O 3.48Å; R465-A483 PolarHBondContact NH1-O 3.24Å
484	S	59.5	Low	55.9	Low	25 Å²	25	67.1 Å²	67.1	18%	0.175	37%	0.367	C	S	.	.	S	Bend	trans	-152	140.9	175.5	63.5	0	0	0	0	112.5	Y473 F482 S486 A487 L488	Y473-S484 VanDerWaalsContact CD2-C 3.47Å; Y473-S484 VanDerWaalsContact CD2-CA 3.46Å; F482-S484 VanDerWaalsContact C-N 3.3Å; F482-S484 PolarHBondContact O-N 3.32Å; S484-S486 PolarHBondContact O-N 2.81Å; S484-S486 PolarHBondContact OG-OG 2.99Å; S484-A487 WeakPolarHBondContact O-CB 3.37Å; S484-A487 PolarHBondContact O-N 3.08Å; S484-L488 PolarHBondContact O-N 3.46Å
485	G	51.1	Low	55.8	Low	19 Å²	19	65.9 Å²	65.9	20%	0.196	36%	0.357	C	S	.	.	H	α-helix	trans	-59.6	-28.6	-177.6	0	0	0	0	0	114.6	Y473 A487 L488 L489	Y473-G485 VanDerWaalsContact CD1-CA 3.41Å; G485-A487 VanDerWaalsContact C-N 3.27Å; G485-A487 PolarHBondContact O-N 3.32Å; G485-L488 PolarHBondContact O-N 3.2Å; G485-L489 WeakPolarHBondContact O-CG 3.5Å; G485-L489 PolarHBondContact O-N 2.81Å
486	S	57.3	Low	55.3	Low	77 Å²	77	69.5 Å²	69.5	54%	0.538	38%	0.38	S	S	.	.	H	α-helix	trans	-63.2	-32.3	172.5	55	0	0	0	0	113.1	S484 Q490	S484-S486 PolarHBondContact O-N 2.81Å; S484-S486 PolarHBondContact OG-OG 2.99Å; S486-Q490 VanDerWaalsContact O-CB 3.28Å; S486-Q490 WeakPolarHBondContact O-CB 3.38Å; S486-Q490 PolarHBondContact O-N 3.28Å; S486-Q490 VanDerWaalsContact O-N 3.07Å
487	A	56.2	Low	55	Low	31 Å²	31	61.5 Å²	61.5	26%	0.256	36%	0.357	S	S	.	.	H	α-helix	trans	-78.8	-32.7	175.7	0	0	0	0	0	111.8	F482 S484 G485 Q490 H491	F482-A487 HydrophobicContact CB-CB 4.33Å; F482-A487 HydrophobicContact CD1-CB 4.16Å; S484-A487 WeakPolarHBondContact O-CB 3.37Å; S484-A487 PolarHBondContact O-N 3.08Å; G485-A487 VanDerWaalsContact C-N 3.27Å; G485-A487 PolarHBondContact O-N 3.32Å; A487-Q490 PolarHBondContact O-N 3.06Å; A487-H491 VanDerWaalsContact O-CB 3.31Å; A487-H491 WeakPolarHBondContact O-CB 3.41Å; A487-H491 PolarHBondContact O-N 3.49Å
488	L	63.9	Low	55.2	Low	23 Å²	23	61 Å²	61	12%	0.12	36%	0.355	C	S	.	.	H	α-helix	trans	-63.9	-50.3	170.2	172.7	60.2	0	0	0	111.1	C475 F482 S484 G485 Q490 H491 Q492	C475-L488 HydrophobicContact CB-CD1 3.54Å; F482-L488 HydrophobicContact CB-CB 4.36Å; F482-L488 HydrophobicContact CD2-CB 4.15Å; F482-L488 HydrophobicContact CD2-CD1 3.97Å; F482-L488 HydrophobicContact CE2-CD1 4.26Å; F482-L488 HydrophobicContact CG-CB 4.44Å; S484-L488 PolarHBondContact O-N 3.46Å; G485-L488 PolarHBondContact O-N 3.2Å; L488-Q490 VanDerWaalsContact C-N 3.27Å; L488-Q490 PolarHBondContact O-N 3.23Å; L488-H491 CarbonylContact O-C 3.59Å; L488-H491 WeakPolarHBondContact O-CA 3.49Å; L488-H491 WeakPolarHBondContact O-CB 3.46Å; L488-H491 PolarHBondContact O-N 3.35Å; L488-Q492 HydrophobicContact CD1-CG 4.04Å; L488-Q492 HydrophobicContact CG-CG 4.47Å; L488-Q492 WeakPolarHBondContact O-CG 3.3Å; L488-Q492 PolarHBondContact O-N 2.93Å
489	L	57.1	Low	55.5	Low	114 Å²	114	64 Å²	64	60%	0.597	36%	0.362	S	S	*	.	H	α-helix	trans	-60.1	-37	176.1	-70.9	168	0	0	0	112.1	G485 H491	G485-L489 WeakPolarHBondContact O-CG 3.5Å; G485-L489 PolarHBondContact O-N 2.81Å; L489-H491 VanDerWaalsContact C-N 3.31Å
490	Q	55.9	Low	56	Low	91 Å²	91	63.9 Å²	63.9	43%	0.425	35%	0.351	S	S	.	.	H	α-helix	trans	-66.4	-33	172.5	-173.7	179.7	-0.7	0	0	112.4	S486 A487 L488 F512	S486-Q490 VanDerWaalsContact O-CB 3.28Å; S486-Q490 WeakPolarHBondContact O-CB 3.38Å; S486-Q490 PolarHBondContact O-N 3.28Å; S486-Q490 VanDerWaalsContact O-N 3.07Å; A487-Q490 PolarHBondContact O-N 3.06Å; L488-Q490 VanDerWaalsContact C-N 3.27Å; L488-Q490 PolarHBondContact O-N 3.23Å; Q490-F512 HydrophobicContact CG-CD1 3.71Å; Q490-F512 HydrophobicContact CG-CE1 3.26Å; Q490-F512 HydrophobicContact CG-CZ 4.02Å; Q490-F512 VanDerWaalsContact NE2-CD1 3.33Å
491	H	61.5	Low	56.5	Low	26 Å²	26	61.4 Å²	61.4	12%	0.12	34%	0.339	C	S	.	.	H	α-helix	trans	-76.2	-38	177.7	177.2	59.4	0	0	0	113	C478 F482 A487 L488 L489 R493 I494 H495	C478-H491 PolarHBondContact SG-NE2 3.14Å; F482-H491 HydrophobicContact CE1-CB 4.05Å; F482-H491 HydrophobicContact CE2-CB 3.91Å; F482-H491 AromaticContact CE2-CD2 3.3Å; F482-H491 WeakPolarHBondContact CE2-CD2 3.32Å; F482-H491 AromaticContact CE2-CG 3.65Å; F482-H491 HydrophobicContact CZ-CB 3.57Å; F482-H491 AromaticContact CZ-CD2 3.35Å; F482-H491 WeakPolarHBondContact CZ-CD2 3.26Å; F482-H491 AromaticContact CZ-CG 3.26Å; F482-H491 AromaticContact CZ-ND1 3.79Å; F482-H491 AromaticContact CZ-NE2 3.89Å; A487-H491 VanDerWaalsContact O-CB 3.31Å; A487-H491 WeakPolarHBondContact O-CB 3.41Å; A487-H491 PolarHBondContact O-N 3.49Å; L488-H491 CarbonylContact O-C 3.59Å; L488-H491 WeakPolarHBondContact O-CA 3.49Å; L488-H491 WeakPolarHBondContact O-CB 3.46Å; L488-H491 PolarHBondContact O-N 3.35Å; L489-H491 VanDerWaalsContact C-N 3.31Å; H491-R493 PolarHBondContact O-N 3.26Å; H491-I494 WeakPolarHBondContact O-CB 3.47Å; H491-I494 WeakPolarHBondContact O-CG1 3.26Å; H491-I494 PolarHBondContact O-N 3.33Å; H491-H495 AromaticContact CD2-NE2 3.91Å; H491-H495 AromaticContact CE1-NE2 3.99Å; H491-H495 AromaticContact NE2-CE1 3.92Å; H491-H495 AromaticContact NE2-NE2 3.36Å; H491-H495 PolarHBondContact NE2-NE2 3.32Å
492	Q	57.3	Low	56.9	Low	59 Å²	59	64.6 Å²	64.6	28%	0.276	35%	0.348	S	S	.	.	H	α-helix	trans	-61.3	-28.1	-179.6	-72.5	175.5	-81.2	0	0	112.9	L488 I494 H495 T496	L488-Q492 HydrophobicContact CD1-CG 4.04Å; L488-Q492 HydrophobicContact CG-CG 4.47Å; L488-Q492 WeakPolarHBondContact O-CG 3.3Å; L488-Q492 PolarHBondContact O-N 2.93Å; Q492-I494 PolarHBondContact O-N 2.91Å; Q492-H495 WeakPolarHBondContact O-CA 3.19Å; Q492-H495 PolarHBondContact O-N 3.11Å; Q492-T496 PolarHBondContact O-N 3.31Å
493	R	65.3	Low	56.5	Low	69 Å²	69	62.4 Å²	62.4	26%	0.26	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61	-12.2	169.9	-63.6	-179.5	-178.3	177.2	0.9	114.7	H491 G497 E498 T511	H491-R493 PolarHBondContact O-N 3.26Å; R493-G497 PolarHBondContact O-N 2.97Å; R493-E498 HydrophobicContact CB-CB 4.4Å; R493-E498 HydrophobicContact CG-CB 4.22Å; R493-T511 PolarHBondContact NH1-O 3.36Å
494	I	54	Low	57	Low	95 Å²	95	71.1 Å²	71.1	49%	0.487	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-24.9	172.6	-55	179.1	0	0	0	110.8	H491 Q492	H491-I494 WeakPolarHBondContact O-CB 3.47Å; H491-I494 WeakPolarHBondContact O-CG1 3.26Å; H491-I494 PolarHBondContact O-N 3.33Å; Q492-I494 PolarHBondContact O-N 2.91Å
495	H	50.7	Low	56.6	Low	71 Å²	71	75.1 Å²	75.1	33%	0.329	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.9	-47.9	175.6	-54.1	-50	0	0	0	111.3	C475 E477 C478 H491 Q492 G497	C475-H495 VanDerWaalsContact SG-CD2 3.53Å; C475-H495 PolarHBondContact SG-NE2 3.21Å; E477-H495 WeakPolarHBondContact OE1-CB 3.47Å; E477-H495 IonicContact OE2-CD2 3.32Å; E477-H495 PolarHBondContact OE2-CD2 3.45Å; E477-H495 VanDerWaalsContact OE2-CD2 3.22Å; E477-H495 IonicContact OE2-CG 3.94Å; C478-H495 PolarHBondContact SG-NE2 3.43Å; C478-H495 VanDerWaalsContact SG-NE2 3.37Å; H491-H495 AromaticContact CD2-NE2 3.91Å; H491-H495 AromaticContact CE1-NE2 3.99Å; H491-H495 AromaticContact NE2-CE1 3.92Å; H491-H495 AromaticContact NE2-NE2 3.36Å; H491-H495 PolarHBondContact NE2-NE2 3.32Å; Q492-H495 WeakPolarHBondContact O-CA 3.19Å; Q492-H495 PolarHBondContact O-N 3.11Å; H495-G497 PolarHBondContact O-N 3.45Å
496	T	50.3	Low	56.8	Low	78 Å²	78	76.6 Å²	76.6	48%	0.479	39%	0.393	S	S	.	.	S	Bend	trans	-72.1	-11.2	177	67.8	0	0	0	0	113.8	Q492 E498	Q492-T496 PolarHBondContact O-N 3.31Å; T496-E498 PolarHBondContact O-N 3.43Å; T496-E498 VanDerWaalsContact O-N 3.12Å; T496-E498 WeakPolarHBondContact OG1-CG 3.37Å; T496-E498 PolarHBondContact OG1-OE1 3.03Å; T496-E498 VanDerWaalsContact OG1-OE1 3.07Å
497	G	50.5	Low	56.6	Low	43 Å²	43	75.5 Å²	75.5	44%	0.443	39%	0.394	S	S	.	.			trans	70.9	-1	-179.3	0	0	0	0	0	115.3	R493 H495 K499	R493-G497 PolarHBondContact O-N 2.97Å; H495-G497 PolarHBondContact O-N 3.45Å; G497-K499 PolarHBondContact O-N 2.95Å
498	E	53.9	Low	56.4	Low	97 Å²	97	80 Å²	80	45%	0.453	41%	0.408	S	S	.	.			trans	-53.1	127.9	-177.1	-81.6	170.2	-136.4	0	0	113.4	R493 T496 P500	R493-E498 HydrophobicContact CB-CB 4.4Å; R493-E498 HydrophobicContact CG-CB 4.22Å; T496-E498 PolarHBondContact O-N 3.43Å; T496-E498 VanDerWaalsContact O-N 3.12Å; T496-E498 WeakPolarHBondContact OG1-CG 3.37Å; T496-E498 PolarHBondContact OG1-OE1 3.03Å; T496-E498 VanDerWaalsContact OG1-OE1 3.07Å; E498-P500 HydrophobicContact CB-CG 4.44Å
499	K	55.7	Low	55.8	Low	115 Å²	115	81 Å²	81	50%	0.5	42%	0.417	S	S	.	.			trans	-126.3	71.7	178.4	-72.7	156.9	178.9	172.3	0	111.3	G497 Y501 H502 S509 F510 T511	G497-K499 PolarHBondContact O-N 2.95Å; K499-Y501 PolarHBondContact O-N 3.3Å; K499-H502 PolarHBondContact O-CE1 3.43Å; K499-H502 PolarHBondContact O-ND1 3.05Å; K499-S509 WeakPolarHBondContact CD-O 3.5Å; K499-F510 CarbonylContact C-O 3.17Å; K499-F510 VanDerWaalsContact CA-O 3.28Å; K499-F510 WeakPolarHBondContact CA-O 3.46Å; K499-T511 HydrophobicContact CG-CG2 3.99Å
500	P	58.9	Low	56	Low	54 Å²	54	78 Å²	78	35%	0.351	40%	0.399	S	S	.	.			trans	-73.1	6.5	-168.2	-17.1	33.3	0	0	0	115.7	E498	E498-P500 HydrophobicContact CB-CG 4.44Å
501	Y	64	Low	55.4	Low	73 Å²	73	75.3 Å²	75.3	29%	0.286	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	93.4	-175.8	-54.3	-70.7	0	0	0	109.8	K499 F510 T511 R513	K499-Y501 PolarHBondContact O-N 3.3Å; Y501-F510 WeakPolarHBondContact CD2-O 3.1Å; Y501-F510 PolarHBondContact N-O 3.01Å; Y501-F510 PolarHBondContact O-N 3.46Å; Y501-T511 WeakPolarHBondContact CE2-O 3.12Å; Y501-R513 HydrophobicContact CD1-CB 3.95Å; Y501-R513 HydrophobicContact CD1-CG 4.43Å; Y501-R513 HydrophobicContact CD2-CB 4.46Å; Y501-R513 VanDerWaalsContact CD2-N 3.29Å; Y501-R513 HydrophobicContact CE1-CB 3.91Å; Y501-R513 HydrophobicContact CE2-CB 4.41Å; Y501-R513 HydrophobicContact CG-CB 4.24Å
502	H	56.4	Low	55.2	Low	118 Å²	118	77.1 Å²	77.1	55%	0.546	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	136.2	-176.2	-43	-64.4	0	0	0	111.6	K499 S509	K499-H502 PolarHBondContact O-CE1 3.43Å; K499-H502 PolarHBondContact O-ND1 3.05Å; H502-S509 PolarHBondContact ND1-OG 3.36Å
503	C	57.6	Low	54.9	Low	2 Å²	2	82.5 Å²	82.5	1%	0.014	41%	0.414	C	S	.	.			trans	-82.6	118.3	168	177.7	0	0	0	0	109.8	E505 C506 G507 K508 F510 L516 H523	C503-E505 PolarHBondContact O-N 3.11Å; C503-C506 VanDerWaalsContact SG-SG 3.66Å; C503-G507 WeakPolarHBondContact O-CA 3.48Å; C503-G507 PolarHBondContact O-N 3.31Å; C503-K508 VanDerWaalsContact CB-O 3.31Å; C503-K508 WeakPolarHBondContact CB-O 3.25Å; C503-K508 PolarHBondContact N-O 3.42Å; C503-F510 HydrophobicContact CB-CE2 4.49Å; C503-L516 HydrophobicContact CB-CD1 3.63Å; C503-H523 VanDerWaalsContact SG-CD2 3.56Å; C503-H523 PolarHBondContact SG-NE2 3.12Å
504	K	59.2	Low	54.2	Low	213 Å²	213	83.4 Å²	83.4	93%	0.926	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.3	-27.6	179.4	-68.4	-169.3	174.4	-169.8	0	113.4
505	E	52.3	Low	54.2	Low	109 Å²	109	80.3 Å²	80.3	51%	0.509	42%	0.422	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.4	-19.6	-172.7	-62.6	149.1	126.8	0	0	113.5	C503 H523	C503-E505 PolarHBondContact O-N 3.11Å; E505-H523 IonicContact OE2-CD2 3.93Å; E505-H523 PolarHBondContact OE2-CD2 3.12Å; E505-H523 VanDerWaalsContact OE2-CD2 3.3Å
506	C	56	Low	54.6	Low	51 Å²	51	77.9 Å²	77.9	35%	0.345	41%	0.412	S	S	.	.	T	Hydrogen-bonded Turn	trans	-149.1	11	-177	76.6	0	0	0	0	115.5	C503 K508 H519 H523	C503-C506 VanDerWaalsContact SG-SG 3.66Å; C506-K508 PolarHBondContact O-N 3.13Å; C506-H519 PolarHBondContact SG-NE2 2.82Å; C506-H523 VanDerWaalsContact SG-CE1 3.59Å; C506-H523 PolarHBondContact SG-NE2 3.09Å
507	G	51.4	Low	54.9	Low	54 Å²	54	78.6 Å²	78.6	56%	0.557	41%	0.412	S	S	*	.			trans	69.1	-12.2	179.2	0	0	0	0	0	116.2	C503 S509	C503-G507 WeakPolarHBondContact O-CA 3.48Å; C503-G507 PolarHBondContact O-N 3.31Å; G507-S509 PolarHBondContact O-N 3.28Å; G507-S509 PolarHBondContact O-OG 3.29Å; G507-S509 VanDerWaalsContact O-OG 3.08Å
508	K	52.9	Low	55.2	Low	125 Å²	125	78.1 Å²	78.1	54%	0.543	41%	0.407	S	S	.	.			trans	-61.1	129.3	-176.8	-70.2	174.3	-174.2	163.8	0	110.6	C503 C506 F510	C503-K508 VanDerWaalsContact CB-O 3.31Å; C503-K508 WeakPolarHBondContact CB-O 3.25Å; C503-K508 PolarHBondContact N-O 3.42Å; C506-K508 PolarHBondContact O-N 3.13Å; K508-F510 HydrophobicContact CB-CE2 3.82Å; K508-F510 HydrophobicContact CB-CZ 4.04Å; K508-F510 WeakPolarHBondContact O-CD2 3.46Å; K508-F510 VanDerWaalsContact O-CE2 3.26Å; K508-F510 WeakPolarHBondContact O-CE2 3.19Å
509	S	50.7	Low	55.4	Low	44 Å²	44	74.7 Å²	74.7	31%	0.308	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	135.4	-170.2	-63.9	0	0	0	0	111.3	K499 H502 G507	K499-S509 WeakPolarHBondContact CD-O 3.5Å; H502-S509 PolarHBondContact ND1-OG 3.36Å; G507-S509 PolarHBondContact O-N 3.28Å; G507-S509 PolarHBondContact O-OG 3.29Å; G507-S509 VanDerWaalsContact O-OG 3.08Å
510	F	62.1	Low	55.6	Low	52 Å²	52	72.6 Å²	72.6	23%	0.228	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	145.8	-169.6	-61.7	-92.4	0	0	0	111.8	K499 Y501 C503 K508 F512 L516 H519	K499-F510 CarbonylContact C-O 3.17Å; K499-F510 VanDerWaalsContact CA-O 3.28Å; K499-F510 WeakPolarHBondContact CA-O 3.46Å; Y501-F510 WeakPolarHBondContact CD2-O 3.1Å; Y501-F510 PolarHBondContact N-O 3.01Å; Y501-F510 PolarHBondContact O-N 3.46Å; C503-F510 HydrophobicContact CB-CE2 4.49Å; K508-F510 HydrophobicContact CB-CE2 3.82Å; K508-F510 HydrophobicContact CB-CZ 4.04Å; K508-F510 WeakPolarHBondContact O-CD2 3.46Å; K508-F510 VanDerWaalsContact O-CE2 3.26Å; K508-F510 WeakPolarHBondContact O-CE2 3.19Å; F510-F512 VanDerWaalsContact C-N 3.29Å; F510-F512 PolarHBondContact O-N 2.87Å; F510-L516 HydrophobicContact CB-CB 4.37Å; F510-L516 HydrophobicContact CD2-CB 4.13Å; F510-L516 HydrophobicContact CD2-CD1 4.05Å; F510-L516 HydrophobicContact CE2-CD1 4.33Å; F510-L516 HydrophobicContact CG-CB 4.39Å; F510-H519 HydrophobicContact CE1-CB 4.04Å; F510-H519 HydrophobicContact CE2-CB 4Å; F510-H519 AromaticContact CE2-CD2 3.28Å; F510-H519 WeakPolarHBondContact CE2-CD2 3.37Å; F510-H519 AromaticContact CE2-CG 3.81Å; F510-H519 HydrophobicContact CZ-CB 3.56Å; F510-H519 AromaticContact CZ-CD2 3.25Å; F510-H519 WeakPolarHBondContact CZ-CD2 3.17Å; F510-H519 AromaticContact CZ-CG 3.36Å
511	T	43.6	Very low	55.6	Low	34 Å²	34	70.9 Å²	70.9	21%	0.209	37%	0.373	C	S	.	.	S	Bend	trans	-69.9	-25.8	175.5	53.2	0	0	0	0	112.7	R493 K499 Y501	R493-T511 PolarHBondContact NH1-O 3.36Å; K499-T511 HydrophobicContact CG-CG2 3.99Å; Y501-T511 WeakPolarHBondContact CE2-O 3.12Å
512	F	56.6	Low	55.2	Low	63 Å²	63	72 Å²	72	28%	0.276	39%	0.387	S	S	.	.	S	Bend	trans	-133	138.5	-173.6	-40.6	-47.1	0	0	0	112.2	Q490 F510 S514 G515 L516	Q490-F512 HydrophobicContact CG-CD1 3.71Å; Q490-F512 HydrophobicContact CG-CE1 3.26Å; Q490-F512 HydrophobicContact CG-CZ 4.02Å; Q490-F512 VanDerWaalsContact NE2-CD1 3.33Å; F510-F512 VanDerWaalsContact C-N 3.29Å; F510-F512 PolarHBondContact O-N 2.87Å; F512-S514 VanDerWaalsContact C-N 3.27Å; F512-S514 PolarHBondContact O-N 3.03Å; F512-G515 WeakPolarHBondContact O-CA 3.11Å; F512-G515 PolarHBondContact O-N 3.36Å; F512-L516 PolarHBondContact O-N 2.9Å
513	R	50.4	Low	55	Low	172 Å²	172	69.9 Å²	69.9	65%	0.649	38%	0.377	S	S	*	.	H	α-helix	trans	-59.5	-32.9	178.7	-174.5	174.9	176.9	168.1	0.4	113.5	Y501 G515 L516 I517	Y501-R513 HydrophobicContact CD1-CB 3.95Å; Y501-R513 HydrophobicContact CD1-CG 4.43Å; Y501-R513 HydrophobicContact CD2-CB 4.46Å; Y501-R513 VanDerWaalsContact CD2-N 3.29Å; Y501-R513 HydrophobicContact CE1-CB 3.91Å; Y501-R513 HydrophobicContact CE2-CB 4.41Å; Y501-R513 HydrophobicContact CG-CB 4.24Å; R513-G515 VanDerWaalsContact C-N 3.31Å; R513-L516 PolarHBondContact O-N 3.03Å; R513-I517 HydrophobicContact CG-CD1 3.98Å; R513-I517 HydrophobicContact CG-CG1 4.47Å; R513-I517 WeakPolarHBondContact O-CG1 3.21Å; R513-I517 PolarHBondContact O-N 3.24Å
514	S	51.3	Low	54.8	Low	89 Å²	89	73.4 Å²	73.4	62%	0.622	40%	0.399	S	S	*	.	H	α-helix	trans	-66.9	-31.6	173.9	48.3	0	0	0	0	113	F512 G518	F512-S514 VanDerWaalsContact C-N 3.27Å; F512-S514 PolarHBondContact O-N 3.03Å; S514-G518 PolarHBondContact O-N 3.24Å
515	G	54.4	Low	54.7	Low	29 Å²	29	65.4 Å²	65.4	30%	0.299	38%	0.377	S	S	.	.	H	α-helix	trans	-68.6	-40.2	172.4	0	0	0	0	0	112	F512 R513 H519	F512-G515 WeakPolarHBondContact O-CA 3.11Å; F512-G515 PolarHBondContact O-N 3.36Å; R513-G515 VanDerWaalsContact C-N 3.31Å; G515-H519 VanDerWaalsContact O-CB 3.28Å; G515-H519 WeakPolarHBondContact O-CB 3.35Å; G515-H519 PolarHBondContact O-N 3.41Å
516	L	58.8	Low	54.8	Low	20 Å²	20	66.2 Å²	66.2	11%	0.105	38%	0.381	C	S	.	.	H	α-helix	trans	-63.5	-50.6	172.6	174.9	60.1	0	0	0	111.6	C503 F510 F512 R513 G518 H519 Q520	C503-L516 HydrophobicContact CB-CD1 3.63Å; F510-L516 HydrophobicContact CB-CB 4.37Å; F510-L516 HydrophobicContact CD2-CB 4.13Å; F510-L516 HydrophobicContact CD2-CD1 4.05Å; F510-L516 HydrophobicContact CE2-CD1 4.33Å; F510-L516 HydrophobicContact CG-CB 4.39Å; F512-L516 PolarHBondContact O-N 2.9Å; R513-L516 PolarHBondContact O-N 3.03Å; L516-G518 PolarHBondContact O-N 2.91Å; L516-H519 CarbonylContact O-C 3.46Å; L516-H519 WeakPolarHBondContact O-CA 3.27Å; L516-H519 WeakPolarHBondContact O-CB 3.29Å; L516-H519 PolarHBondContact O-N 3.07Å; L516-Q520 HydrophobicContact CD1-CG 4.02Å; L516-Q520 HydrophobicContact CG-CG 4.41Å; L516-Q520 WeakPolarHBondContact O-CG 3.3Å; L516-Q520 PolarHBondContact O-N 2.57Å
517	I	57.2	Low	54.8	Low	94 Å²	94	69.3 Å²	69.3	48%	0.482	39%	0.388	S	S	.	.	H	α-helix	trans	-60.4	-45.6	-179.8	-67.7	165.9	0	0	0	111.1	R513 H519 Q520 A521	R513-I517 HydrophobicContact CG-CD1 3.98Å; R513-I517 HydrophobicContact CG-CG1 4.47Å; R513-I517 WeakPolarHBondContact O-CG1 3.21Å; R513-I517 PolarHBondContact O-N 3.24Å; I517-H519 PolarHBondContact O-N 3.33Å; I517-Q520 PolarHBondContact O-N 3.44Å; I517-A521 PolarHBondContact O-N 3.08Å
518	G	55.3	Low	55.2	Low	32 Å²	32	70.7 Å²	70.7	33%	0.33	39%	0.387	S	S	.	.	H	α-helix	trans	-66.9	-14.6	175.2	0	0	0	0	0	114.5	S514 L516	S514-G518 PolarHBondContact O-N 3.24Å; L516-G518 PolarHBondContact O-N 2.91Å
519	H	59.9	Low	55.6	Low	25 Å²	25	69 Å²	69	12%	0.116	38%	0.378	C	S	.	.	H	α-helix	trans	-91.3	-35.5	172.1	176.7	46.7	0	0	0	112.9	C506 F510 G515 L516 I517 A521 V522 H523	C506-H519 PolarHBondContact SG-NE2 2.82Å; F510-H519 HydrophobicContact CE1-CB 4.04Å; F510-H519 HydrophobicContact CE2-CB 4Å; F510-H519 AromaticContact CE2-CD2 3.28Å; F510-H519 WeakPolarHBondContact CE2-CD2 3.37Å; F510-H519 AromaticContact CE2-CG 3.81Å; F510-H519 HydrophobicContact CZ-CB 3.56Å; F510-H519 AromaticContact CZ-CD2 3.25Å; F510-H519 WeakPolarHBondContact CZ-CD2 3.17Å; F510-H519 AromaticContact CZ-CG 3.36Å; G515-H519 VanDerWaalsContact O-CB 3.28Å; G515-H519 WeakPolarHBondContact O-CB 3.35Å; G515-H519 PolarHBondContact O-N 3.41Å; L516-H519 CarbonylContact O-C 3.46Å; L516-H519 WeakPolarHBondContact O-CA 3.27Å; L516-H519 WeakPolarHBondContact O-CB 3.29Å; L516-H519 PolarHBondContact O-N 3.07Å; I517-H519 PolarHBondContact O-N 3.33Å; H519-A521 PolarHBondContact O-N 2.9Å; H519-V522 WeakPolarHBondContact O-CA 3.18Å; H519-V522 WeakPolarHBondContact O-CB 3.34Å; H519-V522 WeakPolarHBondContact O-CG2 3.24Å; H519-V522 PolarHBondContact O-N 3.22Å; H519-H523 AromaticContact CD2-NE2 3.98Å; H519-H523 AromaticContact CE1-CE1 3.8Å; H519-H523 AromaticContact CE1-NE2 3.56Å; H519-H523 AromaticContact NE2-CE1 3.86Å; H519-H523 AromaticContact NE2-NE2 3.27Å; H519-H523 PolarHBondContact NE2-NE2 2.89Å
520	Q	58.2	Low	55.5	Low	72 Å²	72	70.9 Å²	70.9	34%	0.336	39%	0.385	S	S	.	.	H	α-helix	trans	-61.1	-33.6	174.7	-69.5	178	-85.3	0	0	111.5	L516 I517 V522 H523 T524	L516-Q520 HydrophobicContact CD1-CG 4.02Å; L516-Q520 HydrophobicContact CG-CG 4.41Å; L516-Q520 WeakPolarHBondContact O-CG 3.3Å; L516-Q520 PolarHBondContact O-N 2.57Å; I517-Q520 PolarHBondContact O-N 3.44Å; Q520-V522 PolarHBondContact O-N 3.23Å; Q520-H523 PolarHBondContact O-N 2.94Å; Q520-T524 PolarHBondContact O-N 2.92Å
521	A	58.5	Low	55.4	Low	17 Å²	17	68.4 Å²	68.4	14%	0.14	37%	0.374	C	S	.	.	H	α-helix	trans	-61.6	-6	168.7	0	0	0	0	0	115.2	I517 H519 T539	I517-A521 PolarHBondContact O-N 3.08Å; H519-A521 PolarHBondContact O-N 2.9Å; A521-T539 HydrophobicContact CB-CG2 3.7Å
522	V	56.2	Low	56.3	Low	97 Å²	97	76 Å²	76	59%	0.588	40%	0.404	S	S	*	.	H	α-helix	trans	-89	-26.2	169.8	-173.5	0	0	0	0	111.4	H519 Q520	H519-V522 WeakPolarHBondContact O-CA 3.18Å; H519-V522 WeakPolarHBondContact O-CB 3.34Å; H519-V522 WeakPolarHBondContact O-CG2 3.24Å; H519-V522 PolarHBondContact O-N 3.22Å; Q520-V522 PolarHBondContact O-N 3.23Å
523	H	51.8	Low	56.3	Low	74 Å²	74	78.4 Å²	78.4	34%	0.343	42%	0.416	S	S	.	.	H	α-helix	trans	-87.9	-43.4	177.3	-57.4	-50.7	0	0	0	111.9	C503 E505 C506 H519 Q520 G525	C503-H523 VanDerWaalsContact SG-CD2 3.56Å; C503-H523 PolarHBondContact SG-NE2 3.12Å; E505-H523 IonicContact OE2-CD2 3.93Å; E505-H523 PolarHBondContact OE2-CD2 3.12Å; E505-H523 VanDerWaalsContact OE2-CD2 3.3Å; C506-H523 VanDerWaalsContact SG-CE1 3.59Å; C506-H523 PolarHBondContact SG-NE2 3.09Å; H519-H523 AromaticContact CD2-NE2 3.98Å; H519-H523 AromaticContact CE1-CE1 3.8Å; H519-H523 AromaticContact CE1-NE2 3.56Å; H519-H523 AromaticContact NE2-CE1 3.86Å; H519-H523 AromaticContact NE2-NE2 3.27Å; H519-H523 PolarHBondContact NE2-NE2 2.89Å; Q520-H523 PolarHBondContact O-N 2.94Å; H523-G525 PolarHBondContact O-N 2.82Å
524	T	54.6	Low	56.5	Low	75 Å²	75	72.5 Å²	72.5	46%	0.46	40%	0.401	S	S	.	.	S	Bend	trans	-73.6	-12.7	176.5	65.6	0	0	0	0	113.3	Q520 E526	Q520-T524 PolarHBondContact O-N 2.92Å; T524-E526 PolarHBondContact O-N 3.12Å; T524-E526 PolarHBondContact OG1-N 2.86Å
525	G	56.1	Low	56.4	Low	45 Å²	45	71.3 Å²	71.3	46%	0.464	40%	0.403	S	S	.	.			trans	70.7	-11.1	-174.6	0	0	0	0	0	115	H523 K527	H523-G525 PolarHBondContact O-N 2.82Å; G525-K527 PolarHBondContact O-N 3.3Å
526	E	54.6	Low	56.2	Low	127 Å²	127	75.7 Å²	75.7	59%	0.593	41%	0.414	S	S	*	.			trans	-62.1	126.5	-175.8	-66.7	-176.2	138.1	0	0	112.2	T524	T524-E526 PolarHBondContact O-N 3.12Å; T524-E526 PolarHBondContact OG1-N 2.86Å
527	K	56.7	Low	55.7	Low	115 Å²	115	77 Å²	77	50%	0.5	43%	0.425	S	S	.	.			trans	-130.1	79.6	178.3	-72.8	155.9	176.3	170.4	0	108.9	G525 Y529 S537 F538 T539	G525-K527 PolarHBondContact O-N 3.3Å; K527-Y529 PolarHBondContact O-N 3.35Å; K527-S537 VanDerWaalsContact CB-CB 3.4Å; K527-S537 WeakPolarHBondContact CD-O 3.34Å; K527-S537 WeakPolarHBondContact O-CB 3.49Å; K527-F538 CarbonylContact C-O 3.56Å; K527-F538 VanDerWaalsContact C-O 3.29Å; K527-F538 WeakPolarHBondContact CA-O 3.45Å; K527-T539 HydrophobicContact CG-CG2 4.15Å
528	P	58.8	Low	56	Low	84 Å²	84	75 Å²	75	55%	0.545	41%	0.412	S	S	.	.			trans	-71.6	15.9	-167.1	-19.9	34.5	0	0	0	116
529	Y	62	Low	55.9	Low	88 Å²	88	76.3 Å²	76.3	35%	0.345	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	80.3	-174.4	-56.2	-69.6	0	0	0	109.6	K527 S537 F538 S540 R541	K527-Y529 PolarHBondContact O-N 3.35Å; Y529-S537 WeakPolarHBondContact O-CA 3.48Å; Y529-F538 PolarHBondContact N-O 3.44Å; Y529-F538 PolarHBondContact O-N 3.02Å; Y529-S540 VanDerWaalsContact CD2-CA 3.43Å; Y529-R541 HydrophobicContact CD1-CB 3.79Å; Y529-R541 HydrophobicContact CD1-CG 4.33Å; Y529-R541 HydrophobicContact CE1-CB 3.72Å; Y529-R541 HydrophobicContact CE1-CG 4.42Å; Y529-R541 HydrophobicContact CG-CB 4.27Å
530	D	47.9	Very low	55.6	Low	84 Å²	84	77.1 Å²	77.1	45%	0.449	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	145.1	176.6	56	-71.5	0	0	0	113.3	L544	D530-L544 WeakPolarHBondContact O-CD1 3.29Å; D530-L544 VanDerWaalsContact O-CD2 3.29Å; D530-L544 WeakPolarHBondContact O-CD2 3.39Å
531	C	61.1	Low	55.3	Low	1 Å²	1	81.9 Å²	81.9	1%	0.007	44%	0.438	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	101.3	170.9	-177.4	0	0	0	0	109.9	E533 C534 G535 K536 F538 L544 H547 H551	C531-E533 PolarHBondContact O-N 2.86Å; C531-C534 PolarHBondContact O-N 3.23Å; C531-G535 PolarHBondContact O-N 3Å; C531-K536 WeakPolarHBondContact CB-O 3.47Å; C531-K536 PolarHBondContact N-O 2.94Å; C531-F538 HydrophobicContact CB-CE2 4.36Å; C531-L544 HydrophobicContact CB-CD1 3.6Å; C531-H547 VanDerWaalsContact SG-CD2 3.56Å; C531-H551 VanDerWaalsContact SG-CD2 3.57Å; C531-H551 PolarHBondContact SG-NE2 3.25Å
532	K	62.5	Low	55.1	Low	193 Å²	193	85.2 Å²	85.2	84%	0.839	46%	0.46	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52	-29.3	-177.3	-62.9	-167.1	174.3	-167.3	0	114.7
533	E	55.8	Low	55.2	Low	113 Å²	113	81.9 Å²	81.9	53%	0.528	44%	0.443	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.4	-15.4	-178.6	-63.2	163	117	0	0	114.2	C531 H551	C531-E533 PolarHBondContact O-N 2.86Å; E533-H551 IonicContact OE2-CD2 3.43Å; E533-H551 PolarHBondContact OE2-CD2 3.36Å; E533-H551 IonicContact OE2-CG 3.88Å
534	C	55	Low	55.8	Low	49 Å²	49	79.3 Å²	79.3	33%	0.331	43%	0.431	S	S	.	.	T	Hydrogen-bonded Turn	trans	-153.1	11.1	-177.1	72.8	0	0	0	0	116.5	C531 K536 H547 H551	C531-C534 PolarHBondContact O-N 3.23Å; C534-K536 PolarHBondContact O-N 3.43Å; C534-H547 PolarHBondContact SG-NE2 2.99Å; C534-H551 VanDerWaalsContact SG-CE1 3.59Å; C534-H551 PolarHBondContact SG-NE2 3.18Å; C534-H551 VanDerWaalsContact SG-NE2 3.39Å
535	G	49.3	Very low	56.2	Low	64 Å²	64	79.2 Å²	79.2	66%	0.66	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	67	5	177.1	0	0	0	0	0	115.8	C531 S537	C531-G535 PolarHBondContact O-N 3Å; G535-S537 PolarHBondContact O-N 2.9Å
536	K	51.1	Low	56.4	Low	121 Å²	121	81.8 Å²	81.8	53%	0.526	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	120.8	-179.3	-71.5	173.6	-174.4	160.9	0	110.7	C531 C534 F538	C531-K536 WeakPolarHBondContact CB-O 3.47Å; C531-K536 PolarHBondContact N-O 2.94Å; C534-K536 PolarHBondContact O-N 3.43Å; K536-F538 HydrophobicContact CB-CE2 3.91Å; K536-F538 HydrophobicContact CB-CZ 4.12Å; K536-F538 WeakPolarHBondContact O-CD2 3.46Å; K536-F538 WeakPolarHBondContact O-CE2 3.48Å
537	S	46.8	Very low	56.8	Low	48 Å²	48	76.7 Å²	76.7	34%	0.336	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	143.3	-178.7	-45.1	0	0	0	0	112.4	K527 Y529 G535	K527-S537 VanDerWaalsContact CB-CB 3.4Å; K527-S537 WeakPolarHBondContact CD-O 3.34Å; K527-S537 WeakPolarHBondContact O-CB 3.49Å; Y529-S537 WeakPolarHBondContact O-CA 3.48Å; G535-S537 PolarHBondContact O-N 2.9Å
538	F	64.3	Low	57	Low	50 Å²	50	74.5 Å²	74.5	22%	0.219	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	154.9	-172.6	-62.8	-90.6	0	0	0	112.2	K527 Y529 C531 K536 S540 A543 L544 H547	K527-F538 CarbonylContact C-O 3.56Å; K527-F538 VanDerWaalsContact C-O 3.29Å; K527-F538 WeakPolarHBondContact CA-O 3.45Å; Y529-F538 PolarHBondContact N-O 3.44Å; Y529-F538 PolarHBondContact O-N 3.02Å; C531-F538 HydrophobicContact CB-CE2 4.36Å; K536-F538 HydrophobicContact CB-CE2 3.91Å; K536-F538 HydrophobicContact CB-CZ 4.12Å; K536-F538 WeakPolarHBondContact O-CD2 3.46Å; K536-F538 WeakPolarHBondContact O-CE2 3.48Å; F538-S540 VanDerWaalsContact C-N 3.31Å; F538-S540 PolarHBondContact O-N 2.93Å; F538-A543 HydrophobicContact CB-CB 4.23Å; F538-A543 HydrophobicContact CD1-CB 4.05Å; F538-A543 HydrophobicContact CG-CB 4.4Å; F538-L544 HydrophobicContact CB-CB 4.4Å; F538-L544 HydrophobicContact CD2-CB 4.15Å; F538-L544 HydrophobicContact CD2-CD1 3.96Å; F538-L544 HydrophobicContact CE2-CD1 4.27Å; F538-L544 HydrophobicContact CG-CB 4.47Å; F538-H547 HydrophobicContact CE1-CB 4.05Å; F538-H547 HydrophobicContact CE2-CB 3.83Å; F538-H547 AromaticContact CE2-CD2 3.25Å; F538-H547 WeakPolarHBondContact CE2-CD2 3.39Å; F538-H547 AromaticContact CE2-CG 3.57Å; F538-H547 HydrophobicContact CZ-CB 3.51Å; F538-H547 AromaticContact CZ-CD2 3.38Å; F538-H547 WeakPolarHBondContact CZ-CD2 3.43Å; F538-H547 AromaticContact CZ-CG 3.24Å; F538-H547 AromaticContact CZ-ND1 3.82Å; F538-H547 AromaticContact CZ-NE2 3.98Å
539	T	52.3	Low	57.5	Low	60 Å²	60	73 Å²	73	37%	0.368	38%	0.378	S	S	.	.	S	Bend	trans	-83.6	-1.5	177.6	56.9	0	0	0	0	113.7	A521 K527	A521-T539 HydrophobicContact CB-CG2 3.7Å; K527-T539 HydrophobicContact CG-CG2 4.15Å
540	S	53.9	Low	57.3	Low	42 Å²	42	74.4 Å²	74.4	29%	0.294	39%	0.39	S	S	.	.	S	Bend	trans	-153	143.6	173.7	60.8	0	0	0	0	113	Y529 F538 S542 A543 L544	Y529-S540 VanDerWaalsContact CD2-CA 3.43Å; F538-S540 VanDerWaalsContact C-N 3.31Å; F538-S540 PolarHBondContact O-N 2.93Å; S540-S542 PolarHBondContact O-N 3.11Å; S540-A543 WeakPolarHBondContact O-CB 3.45Å; S540-A543 PolarHBondContact O-N 2.86Å; S540-A543 WeakPolarHBondContact OG-CB 3.37Å; S540-L544 PolarHBondContact O-N 3.04Å; S540-L544 VanDerWaalsContact O-N 3.11Å
541	R	52.5	Low	57.6	Low	173 Å²	173	73.8 Å²	73.8	65%	0.653	39%	0.385	S	S	*	.	H	α-helix	trans	-58.3	-33.4	178.4	-172.5	171.7	176.7	148.5	0	113.4	Y529 L544 I545	Y529-R541 HydrophobicContact CD1-CB 3.79Å; Y529-R541 HydrophobicContact CD1-CG 4.33Å; Y529-R541 HydrophobicContact CE1-CB 3.72Å; Y529-R541 HydrophobicContact CE1-CG 4.42Å; Y529-R541 HydrophobicContact CG-CB 4.27Å; R541-L544 PolarHBondContact O-N 3.01Å; R541-I545 HydrophobicContact CG-CD1 3.94Å; R541-I545 HydrophobicContact CG-CG1 4.49Å; R541-I545 VanDerWaalsContact O-CG1 3.32Å; R541-I545 WeakPolarHBondContact O-CG1 3.34Å; R541-I545 PolarHBondContact O-N 2.92Å
542	S	54.8	Low	57.3	Low	86 Å²	86	77.5 Å²	77.5	60%	0.601	41%	0.407	S	S	*	.	H	α-helix	trans	-67.6	-36	175.7	39.4	0	0	0	0	112.6	S540 Q546	S540-S542 PolarHBondContact O-N 3.11Å; S542-Q546 WeakPolarHBondContact O-CB 3.48Å; S542-Q546 PolarHBondContact O-N 3.15Å
543	A	58.5	Low	56.9	Low	28 Å²	28	70.2 Å²	70.2	23%	0.231	39%	0.387	C	S	.	.	H	α-helix	trans	-70.3	-37.8	173	0	0	0	0	0	111.9	F538 S540 Q546 H547	F538-A543 HydrophobicContact CB-CB 4.23Å; F538-A543 HydrophobicContact CD1-CB 4.05Å; F538-A543 HydrophobicContact CG-CB 4.4Å; S540-A543 WeakPolarHBondContact O-CB 3.45Å; S540-A543 PolarHBondContact O-N 2.86Å; S540-A543 WeakPolarHBondContact OG-CB 3.37Å; A543-Q546 PolarHBondContact O-N 3.35Å; A543-H547 WeakPolarHBondContact O-CB 3.36Å; A543-H547 PolarHBondContact O-N 2.89Å
544	L	64.3	Low	56.9	Low	19 Å²	19	69.7 Å²	69.7	10%	0.099	39%	0.385	C	S	.	.	H	α-helix	trans	-60.9	-50.2	172	173.3	61.8	0	0	0	111.6	D530 C531 F538 S540 R541 Q546 H547 Q548	D530-L544 WeakPolarHBondContact O-CD1 3.29Å; D530-L544 VanDerWaalsContact O-CD2 3.29Å; D530-L544 WeakPolarHBondContact O-CD2 3.39Å; C531-L544 HydrophobicContact CB-CD1 3.6Å; F538-L544 HydrophobicContact CB-CB 4.4Å; F538-L544 HydrophobicContact CD2-CB 4.15Å; F538-L544 HydrophobicContact CD2-CD1 3.96Å; F538-L544 HydrophobicContact CE2-CD1 4.27Å; F538-L544 HydrophobicContact CG-CB 4.47Å; S540-L544 PolarHBondContact O-N 3.04Å; S540-L544 VanDerWaalsContact O-N 3.11Å; R541-L544 PolarHBondContact O-N 3.01Å; L544-Q546 VanDerWaalsContact C-N 3.3Å; L544-Q546 PolarHBondContact O-N 3.06Å; L544-H547 CarbonylContact O-C 3.57Å; L544-H547 WeakPolarHBondContact O-CA 3.14Å; L544-H547 WeakPolarHBondContact O-CB 3.4Å; L544-H547 PolarHBondContact O-N 3.26Å; L544-Q548 HydrophobicContact CD1-CG 4.1Å; L544-Q548 HydrophobicContact CG-CG 4.45Å; L544-Q548 WeakPolarHBondContact O-CG 3.21Å; L544-Q548 PolarHBondContact O-N 3.44Å
545	I	62.5	Low	57.1	Low	73 Å²	73	72.9 Å²	72.9	37%	0.374	39%	0.393	S	S	.	.	H	α-helix	trans	-62.4	-37.9	179	-68.7	166	0	0	0	111.3	R541 H547	R541-I545 HydrophobicContact CG-CD1 3.94Å; R541-I545 HydrophobicContact CG-CG1 4.49Å; R541-I545 VanDerWaalsContact O-CG1 3.32Å; R541-I545 WeakPolarHBondContact O-CG1 3.34Å; R541-I545 PolarHBondContact O-N 2.92Å; I545-H547 VanDerWaalsContact C-N 3.29Å; I545-H547 PolarHBondContact O-N 2.96Å
546	Q	58.9	Low	57.7	Low	100 Å²	100	72.6 Å²	72.6	47%	0.467	38%	0.379	S	S	.	.	H	α-helix	trans	-64.6	-33.7	172.1	-177.7	-176.2	-16.4	0	0	112.3	S542 A543 L544 V568	S542-Q546 WeakPolarHBondContact O-CB 3.48Å; S542-Q546 PolarHBondContact O-N 3.15Å; A543-Q546 PolarHBondContact O-N 3.35Å; L544-Q546 VanDerWaalsContact C-N 3.3Å; L544-Q546 PolarHBondContact O-N 3.06Å; Q546-V568 HydrophobicContact CG-CG2 4Å
547	H	64.6	Low	58.3	Low	19 Å²	19	71.1 Å²	71.1	9%	0.088	37%	0.371	C	S	.	.	H	α-helix	trans	-75.3	-37.5	177.9	174.2	58.8	0	0	0	113.1	C531 C534 F538 A543 L544 I545 R549 I550 H551	C531-H547 VanDerWaalsContact SG-CD2 3.56Å; C534-H547 PolarHBondContact SG-NE2 2.99Å; F538-H547 HydrophobicContact CE1-CB 4.05Å; F538-H547 HydrophobicContact CE2-CB 3.83Å; F538-H547 AromaticContact CE2-CD2 3.25Å; F538-H547 WeakPolarHBondContact CE2-CD2 3.39Å; F538-H547 AromaticContact CE2-CG 3.57Å; F538-H547 HydrophobicContact CZ-CB 3.51Å; F538-H547 AromaticContact CZ-CD2 3.38Å; F538-H547 WeakPolarHBondContact CZ-CD2 3.43Å; F538-H547 AromaticContact CZ-CG 3.24Å; F538-H547 AromaticContact CZ-ND1 3.82Å; F538-H547 AromaticContact CZ-NE2 3.98Å; A543-H547 WeakPolarHBondContact O-CB 3.36Å; A543-H547 PolarHBondContact O-N 2.89Å; L544-H547 CarbonylContact O-C 3.57Å; L544-H547 WeakPolarHBondContact O-CA 3.14Å; L544-H547 WeakPolarHBondContact O-CB 3.4Å; L544-H547 PolarHBondContact O-N 3.26Å; I545-H547 VanDerWaalsContact C-N 3.29Å; I545-H547 PolarHBondContact O-N 2.96Å; H547-R549 PolarHBondContact O-N 2.94Å; H547-I550 WeakPolarHBondContact O-CB 3.29Å; H547-I550 WeakPolarHBondContact O-CG1 3.5Å; H547-I550 PolarHBondContact O-N 2.94Å; H547-H551 AromaticContact CD2-NE2 3.82Å; H547-H551 AromaticContact CE1-CE1 3.8Å; H547-H551 AromaticContact CE1-NE2 3.58Å; H547-H551 AromaticContact NE2-CE1 3.73Å; H547-H551 AromaticContact NE2-NE2 3.13Å; H547-H551 PolarHBondContact NE2-NE2 2.86Å; H547-H551 VanDerWaalsContact NE2-NE2 3.13Å
548	Q	60.9	Low	58.7	Low	69 Å²	69	74.5 Å²	74.5	32%	0.322	38%	0.381	S	S	.	.	H	α-helix	trans	-59.1	-30.6	177.7	-72	173	-67.1	0	0	112.4	L544 I550 H551 T552	L544-Q548 HydrophobicContact CD1-CG 4.1Å; L544-Q548 HydrophobicContact CG-CG 4.45Å; L544-Q548 WeakPolarHBondContact O-CG 3.21Å; L544-Q548 PolarHBondContact O-N 3.44Å; Q548-I550 PolarHBondContact O-N 3.3Å; Q548-H551 PolarHBondContact O-N 3.23Å; Q548-T552 PolarHBondContact O-N 3.49Å
549	R	68.8	Low	58.5	Low	53 Å²	53	72.1 Å²	72.1	20%	0.2	37%	0.371	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-7.5	170.7	-64.5	-177.2	177.5	155	5.2	115.3	H547 G553 E554 T567	H547-R549 PolarHBondContact O-N 2.94Å; R549-G553 PolarHBondContact O-N 2.91Å; R549-E554 HydrophobicContact CB-CB 4.47Å; R549-E554 HydrophobicContact CG-CB 4.15Å; R549-E554 IonicContact NE-OE2 3.73Å; R549-T567 HydrophobicContact CB-CG2 4.41Å; R549-T567 PolarHBondContact NH1-O 2.62Å
550	I	57.8	Low	58.7	Low	118 Å²	118	79.3 Å²	79.3	61%	0.605	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.4	-31	170.5	-57.1	-177.1	0	0	0	110.6	H547 Q548	H547-I550 WeakPolarHBondContact O-CB 3.29Å; H547-I550 WeakPolarHBondContact O-CG1 3.5Å; H547-I550 PolarHBondContact O-N 2.94Å; Q548-I550 PolarHBondContact O-N 3.3Å
551	H	54.8	Low	58.4	Low	71 Å²	71	82.4 Å²	82.4	33%	0.329	41%	0.407	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.5	-46.2	179.3	-48.9	-49.2	0	0	0	111.2	C531 E533 C534 H547 Q548 G553	C531-H551 VanDerWaalsContact SG-CD2 3.57Å; C531-H551 PolarHBondContact SG-NE2 3.25Å; E533-H551 IonicContact OE2-CD2 3.43Å; E533-H551 PolarHBondContact OE2-CD2 3.36Å; E533-H551 IonicContact OE2-CG 3.88Å; C534-H551 VanDerWaalsContact SG-CE1 3.59Å; C534-H551 PolarHBondContact SG-NE2 3.18Å; C534-H551 VanDerWaalsContact SG-NE2 3.39Å; H547-H551 AromaticContact CD2-NE2 3.82Å; H547-H551 AromaticContact CE1-CE1 3.8Å; H547-H551 AromaticContact CE1-NE2 3.58Å; H547-H551 AromaticContact NE2-CE1 3.73Å; H547-H551 AromaticContact NE2-NE2 3.13Å; H547-H551 PolarHBondContact NE2-NE2 2.86Å; H547-H551 VanDerWaalsContact NE2-NE2 3.13Å; Q548-H551 PolarHBondContact O-N 3.23Å; H551-G553 PolarHBondContact O-N 3.2Å
552	T	54.8	Low	58.4	Low	78 Å²	78	76.5 Å²	76.5	48%	0.479	39%	0.392	S	S	.	.	S	Bend	trans	-73.3	-12.2	175.5	66.8	0	0	0	0	113.7	Q548 E554	Q548-T552 PolarHBondContact O-N 3.49Å; T552-E554 PolarHBondContact O-N 2.88Å; T552-E554 WeakPolarHBondContact OG1-CG 3.25Å
553	G	54.3	Low	58.2	Low	40 Å²	40	75.3 Å²	75.3	41%	0.412	39%	0.393	S	S	.	.			trans	69.7	-3.8	-178.3	0	0	0	0	0	115.7	R549 H551 K555	R549-G553 PolarHBondContact O-N 2.91Å; H551-G553 PolarHBondContact O-N 3.2Å; G553-K555 PolarHBondContact O-N 3.1Å
554	E	54.3	Low	57.8	Low	103 Å²	103	79.7 Å²	79.7	48%	0.481	41%	0.407	S	S	.	.			trans	-53.2	127.8	-176.2	-79.6	-179.9	-169	0	0	113.5	R549 T552	R549-E554 HydrophobicContact CB-CB 4.47Å; R549-E554 HydrophobicContact CG-CB 4.15Å; R549-E554 IonicContact NE-OE2 3.73Å; T552-E554 PolarHBondContact O-N 2.88Å; T552-E554 WeakPolarHBondContact OG1-CG 3.25Å
555	K	59.3	Low	57.2	Low	115 Å²	115	80.6 Å²	80.6	50%	0.5	42%	0.415	S	S	.	.			trans	-127	76	175.7	-68.1	155	-171.3	162.2	0	110.6	G553 Y557 H558 S565 F566 T567	G553-K555 PolarHBondContact O-N 3.1Å; K555-Y557 PolarHBondContact O-N 2.87Å; K555-Y557 VanDerWaalsContact O-N 3.09Å; K555-H558 PolarHBondContact O-CE1 3.22Å; K555-S565 VanDerWaalsContact CB-CB 3.41Å; K555-S565 WeakPolarHBondContact O-CB 3.41Å; K555-F566 CarbonylContact C-O 3.54Å; K555-F566 VanDerWaalsContact CA-O 3.3Å; K555-F566 WeakPolarHBondContact CA-O 3.44Å; K555-T567 HydrophobicContact CG-CG2 3.98Å
556	P	62.1	Low	57.5	Low	59 Å²	59	79.4 Å²	79.4	38%	0.383	41%	0.407	S	S	.	.			trans	-63.4	-21.8	-170.5	-24.7	35.8	0	0	0	114.9	H558	P556-H558 PolarHBondContact O-ND1 3.32Å
557	Y	64	Low	57	Low	90 Å²	90	76.8 Å²	76.8	35%	0.353	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	99.3	-169.2	-56.4	-81	0	0	0	111.1	K555 S565 F566 G569	K555-Y557 PolarHBondContact O-N 2.87Å; K555-Y557 VanDerWaalsContact O-N 3.09Å; Y557-S565 CarbonylContact O-C 3.09Å; Y557-S565 WeakPolarHBondContact O-CA 3.18Å; Y557-F566 WeakPolarHBondContact CD2-O 3.24Å; Y557-F566 PolarHBondContact N-O 3.37Å; Y557-F566 VanDerWaalsContact N-O 3.1Å; Y557-F566 PolarHBondContact O-N 3.07Å; Y557-G569 VanDerWaalsContact CD2-N 3.25Å
558	H	55.5	Low	56.9	Low	118 Å²	118	77.3 Å²	77.3	55%	0.546	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	133.9	-172.8	-67.1	70.9	0	0	0	112.4	K555 P556 S565 L572	K555-H558 PolarHBondContact O-CE1 3.22Å; P556-H558 PolarHBondContact O-ND1 3.32Å; H558-S565 PolarHBondContact CD2-OG 3.12Å; H558-S565 PolarHBondContact NE2-OG 3.21Å; H558-L572 WeakPolarHBondContact O-CD2 3.4Å
559	C	59.8	Low	56.4	Low	1 Å²	1	74.9 Å²	74.9	1%	0.007	40%	0.396	C	S	.	.			trans	-88	107	173.7	-170.9	0	0	0	0	111.1	E561 C562 G563 K564 F566 L572 H575 H579	C559-E561 PolarHBondContact O-N 3.06Å; C559-E561 VanDerWaalsContact O-N 3.16Å; C559-C562 PolarHBondContact O-N 2.89Å; C559-G563 PolarHBondContact O-N 3.19Å; C559-K564 VanDerWaalsContact CB-O 3.29Å; C559-K564 WeakPolarHBondContact CB-O 3.45Å; C559-K564 PolarHBondContact N-O 3.09Å; C559-F566 HydrophobicContact CB-CE2 4.41Å; C559-L572 HydrophobicContact CB-CD1 3.53Å; C559-H575 VanDerWaalsContact SG-CD2 3.57Å; C559-H579 PolarHBondContact SG-NE2 2.84Å
560	K	56.1	Low	55.9	Low	210 Å²	210	76 Å²	76	91%	0.913	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.9	-34.4	-179.2	-67.1	-165.2	173.3	-163.9	0	113.6
561	E	47.9	Very low	56	Low	108 Å²	108	72.9 Å²	72.9	51%	0.505	40%	0.399	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.8	-12.7	-175	-63.3	159.3	105.2	0	0	114.7	C559 H579	C559-E561 PolarHBondContact O-N 3.06Å; C559-E561 VanDerWaalsContact O-N 3.16Å; E561-H579 WeakPolarHBondContact OE1-CB 3.34Å; E561-H579 IonicContact OE1-CG 3.74Å; E561-H579 IonicContact OE2-CD2 3.3Å; E561-H579 PolarHBondContact OE2-CD2 3.35Å; E561-H579 IonicContact OE2-CG 3.88Å
562	C	52.8	Low	56.4	Low	48 Å²	48	70.4 Å²	70.4	32%	0.324	39%	0.388	S	S	.	.	T	Hydrogen-bonded Turn	trans	-154.6	15.3	-179.9	78.3	0	0	0	0	116.6	C559 K564 H575 H579	C559-C562 PolarHBondContact O-N 2.89Å; C562-K564 PolarHBondContact O-N 3.13Å; C562-H575 PolarHBondContact SG-NE2 3.36Å; C562-H579 VanDerWaalsContact SG-CE1 3.51Å; C562-H579 PolarHBondContact SG-NE2 3.22Å
563	G	50.1	Low	56.5	Low	62 Å²	62	72.2 Å²	72.2	64%	0.639	39%	0.394	S	S	*	.			trans	67.6	0.9	176.4	0	0	0	0	0	116	C559 S565	C559-G563 PolarHBondContact O-N 3.19Å; G563-S565 PolarHBondContact O-N 2.9Å
564	K	50.7	Low	56.6	Low	119 Å²	119	74.7 Å²	74.7	52%	0.517	40%	0.395	S	S	.	.			trans	-77.3	120.3	-177	-72.4	172.7	-171.4	148.8	0	111.4	C559 C562 F566	C559-K564 VanDerWaalsContact CB-O 3.29Å; C559-K564 WeakPolarHBondContact CB-O 3.45Å; C559-K564 PolarHBondContact N-O 3.09Å; C562-K564 PolarHBondContact O-N 3.13Å; K564-F566 HydrophobicContact CB-CE2 3.77Å; K564-F566 HydrophobicContact CB-CZ 4.08Å; K564-F566 WeakPolarHBondContact O-CD2 3.46Å; K564-F566 WeakPolarHBondContact O-CE2 3.44Å
565	S	51.6	Low	56.9	Low	38 Å²	38	70.7 Å²	70.7	27%	0.266	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	140.3	178.2	-37.4	0	0	0	0	112.3	K555 Y557 H558 G563	K555-S565 VanDerWaalsContact CB-CB 3.41Å; K555-S565 WeakPolarHBondContact O-CB 3.41Å; Y557-S565 CarbonylContact O-C 3.09Å; Y557-S565 WeakPolarHBondContact O-CA 3.18Å; H558-S565 PolarHBondContact CD2-OG 3.12Å; H558-S565 PolarHBondContact NE2-OG 3.21Å; G563-S565 PolarHBondContact O-N 2.9Å
566	F	68.4	Low	56.9	Low	48 Å²	48	68.2 Å²	68.2	21%	0.211	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	150.9	-176.4	-62.8	-94.4	0	0	0	111.7	K555 Y557 C559 K564 V568 L572 H575	K555-F566 CarbonylContact C-O 3.54Å; K555-F566 VanDerWaalsContact CA-O 3.3Å; K555-F566 WeakPolarHBondContact CA-O 3.44Å; Y557-F566 WeakPolarHBondContact CD2-O 3.24Å; Y557-F566 PolarHBondContact N-O 3.37Å; Y557-F566 VanDerWaalsContact N-O 3.1Å; Y557-F566 PolarHBondContact O-N 3.07Å; C559-F566 HydrophobicContact CB-CE2 4.41Å; K564-F566 HydrophobicContact CB-CE2 3.77Å; K564-F566 HydrophobicContact CB-CZ 4.08Å; K564-F566 WeakPolarHBondContact O-CD2 3.46Å; K564-F566 WeakPolarHBondContact O-CE2 3.44Å; F566-V568 VanDerWaalsContact C-N 3.3Å; F566-V568 PolarHBondContact O-N 3.37Å; F566-L572 HydrophobicContact CB-CB 4.36Å; F566-L572 HydrophobicContact CD2-CB 4.13Å; F566-L572 HydrophobicContact CD2-CD1 3.94Å; F566-L572 HydrophobicContact CE2-CD1 4.2Å; F566-L572 HydrophobicContact CG-CB 4.39Å; F566-H575 HydrophobicContact CE1-CB 4.11Å; F566-H575 HydrophobicContact CE2-CB 3.94Å; F566-H575 AromaticContact CE2-CD2 3.26Å; F566-H575 WeakPolarHBondContact CE2-CD2 3.39Å; F566-H575 AromaticContact CE2-CG 3.67Å; F566-H575 HydrophobicContact CZ-CB 3.58Å; F566-H575 AromaticContact CZ-CD2 3.34Å; F566-H575 WeakPolarHBondContact CZ-CD2 3.28Å; F566-H575 AromaticContact CZ-CG 3.29Å; F566-H575 AromaticContact CZ-ND1 3.93Å; F566-H575 AromaticContact CZ-NE2 3.97Å
567	T	47.9	Very low	56.7	Low	46 Å²	46	67.6 Å²	67.6	28%	0.282	36%	0.358	S	S	.	.	S	Bend	trans	-77.7	-13.4	178.6	57	0	0	0	0	113.5	R549 K555	R549-T567 HydrophobicContact CB-CG2 4.41Å; R549-T567 PolarHBondContact NH1-O 2.62Å; K555-T567 HydrophobicContact CG-CG2 3.98Å
568	V	63.9	Low	56.4	Low	30 Å²	30	67.5 Å²	67.5	18%	0.182	36%	0.363	C	S	.	.	S	Bend	trans	-142.1	136.5	-176.8	-161.7	0	0	0	0	111.1	Q546 F566 S570 T571 L572	Q546-V568 HydrophobicContact CG-CG2 4Å; F566-V568 VanDerWaalsContact C-N 3.3Å; F566-V568 PolarHBondContact O-N 3.37Å; V568-S570 VanDerWaalsContact C-N 3.29Å; V568-S570 WeakPolarHBondContact CG1-OG 3.5Å; V568-S570 PolarHBondContact O-N 2.83Å; V568-T571 PolarHBondContact O-N 2.84Å; V568-T571 PolarHBondContact O-OG1 3Å; V568-L572 PolarHBondContact O-N 3.35Å
569	G	49.7	Very low	56.2	Low	18 Å²	18	65.1 Å²	65.1	19%	0.186	35%	0.352	C	S	.	.	H	α-helix	trans	-64.9	-26.9	179.6	0	0	0	0	0	114.7	Y557 L572 L573	Y557-G569 VanDerWaalsContact CD2-N 3.25Å; G569-L572 PolarHBondContact O-N 3.39Å; G569-L573 WeakPolarHBondContact O-CG 3.37Å; G569-L573 PolarHBondContact O-N 2.97Å
570	S	57.5	Low	55.8	Low	77 Å²	77	68.7 Å²	68.7	54%	0.538	37%	0.374	S	S	.	.	H	α-helix	trans	-69.8	-31.7	176.4	53.8	0	0	0	0	113.2	V568 Q574	V568-S570 VanDerWaalsContact C-N 3.29Å; V568-S570 WeakPolarHBondContact CG1-OG 3.5Å; V568-S570 PolarHBondContact O-N 2.83Å; S570-Q574 WeakPolarHBondContact O-CB 3.41Å; S570-Q574 PolarHBondContact O-N 2.92Å; S570-Q574 VanDerWaalsContact O-N 3.1Å
571	T	61.4	Low	55.6	Low	52 Å²	52	60.5 Å²	60.5	32%	0.319	35%	0.348	S	S	.	.	H	α-helix	trans	-80.7	-26.2	174.2	54	0	0	0	0	112.2	V568 H575	V568-T571 PolarHBondContact O-N 2.84Å; V568-T571 PolarHBondContact O-OG1 3Å; T571-H575 VanDerWaalsContact O-CB 3.24Å; T571-H575 WeakPolarHBondContact O-CB 3.18Å; T571-H575 PolarHBondContact O-N 2.64Å
572	L	62.3	Low	55.8	Low	19 Å²	19	60.6 Å²	60.6	10%	0.099	35%	0.349	C	S	.	.	H	α-helix	trans	-64	-49.3	164.7	173.3	62.1	0	0	0	111.5	H558 C559 F566 V568 G569 Q574 H575 Q576	H558-L572 WeakPolarHBondContact O-CD2 3.4Å; C559-L572 HydrophobicContact CB-CD1 3.53Å; F566-L572 HydrophobicContact CB-CB 4.36Å; F566-L572 HydrophobicContact CD2-CB 4.13Å; F566-L572 HydrophobicContact CD2-CD1 3.94Å; F566-L572 HydrophobicContact CE2-CD1 4.2Å; F566-L572 HydrophobicContact CG-CB 4.39Å; V568-L572 PolarHBondContact O-N 3.35Å; G569-L572 PolarHBondContact O-N 3.39Å; L572-Q574 VanDerWaalsContact C-N 3.33Å; L572-Q574 PolarHBondContact O-N 2.8Å; L572-H575 CarbonylContact O-C 3.14Å; L572-H575 WeakPolarHBondContact O-CA 3.44Å; L572-H575 VanDerWaalsContact O-CB 3.31Å; L572-H575 WeakPolarHBondContact O-CB 3.4Å; L572-H575 PolarHBondContact O-N 3.15Å; L572-Q576 HydrophobicContact CD1-CG 4.07Å; L572-Q576 HydrophobicContact CG-CG 4.43Å; L572-Q576 WeakPolarHBondContact O-CG 3.43Å; L572-Q576 PolarHBondContact O-N 3.07Å
573	L	56.9	Low	55.9	Low	115 Å²	115	64 Å²	64	60%	0.602	36%	0.358	S	S	*	.	H	α-helix	trans	-59.5	-42.9	178.6	-75	164.8	0	0	0	112	G569 H575 Q576 Q577	G569-L573 WeakPolarHBondContact O-CG 3.37Å; G569-L573 PolarHBondContact O-N 2.97Å; L573-H575 PolarHBondContact O-N 3.38Å; L573-Q576 PolarHBondContact O-N 3.25Å; L573-Q577 PolarHBondContact O-N 3.03Å
574	Q	55.8	Low	56.2	Low	93 Å²	93	64.3 Å²	64.3	44%	0.435	35%	0.349	S	S	.	.	H	α-helix	trans	-62.5	-30.4	171.4	-175	-168	-32.7	0	0	112.6	S570 L572 L596	S570-Q574 WeakPolarHBondContact O-CB 3.41Å; S570-Q574 PolarHBondContact O-N 2.92Å; S570-Q574 VanDerWaalsContact O-N 3.1Å; L572-Q574 VanDerWaalsContact C-N 3.33Å; L572-Q574 PolarHBondContact O-N 2.8Å; Q574-L596 HydrophobicContact CG-CD2 4.12Å
575	H	62.1	Low	56.9	Low	18 Å²	18	62.5 Å²	62.5	8%	0.083	34%	0.339	C	S	.	.	H	α-helix	trans	-77.4	-34.8	177.4	177.7	54.4	0	0	0	112.7	C559 C562 F566 T571 L572 L573 Q577 I578 H579	C559-H575 VanDerWaalsContact SG-CD2 3.57Å; C562-H575 PolarHBondContact SG-NE2 3.36Å; F566-H575 HydrophobicContact CE1-CB 4.11Å; F566-H575 HydrophobicContact CE2-CB 3.94Å; F566-H575 AromaticContact CE2-CD2 3.26Å; F566-H575 WeakPolarHBondContact CE2-CD2 3.39Å; F566-H575 AromaticContact CE2-CG 3.67Å; F566-H575 HydrophobicContact CZ-CB 3.58Å; F566-H575 AromaticContact CZ-CD2 3.34Å; F566-H575 WeakPolarHBondContact CZ-CD2 3.28Å; F566-H575 AromaticContact CZ-CG 3.29Å; F566-H575 AromaticContact CZ-ND1 3.93Å; F566-H575 AromaticContact CZ-NE2 3.97Å; T571-H575 VanDerWaalsContact O-CB 3.24Å; T571-H575 WeakPolarHBondContact O-CB 3.18Å; T571-H575 PolarHBondContact O-N 2.64Å; L572-H575 CarbonylContact O-C 3.14Å; L572-H575 WeakPolarHBondContact O-CA 3.44Å; L572-H575 VanDerWaalsContact O-CB 3.31Å; L572-H575 WeakPolarHBondContact O-CB 3.4Å; L572-H575 PolarHBondContact O-N 3.15Å; L573-H575 PolarHBondContact O-N 3.38Å; H575-Q577 PolarHBondContact O-N 3.35Å; H575-I578 WeakPolarHBondContact O-CA 3.42Å; H575-I578 WeakPolarHBondContact O-CB 3.48Å; H575-I578 WeakPolarHBondContact O-CG1 3.3Å; H575-I578 PolarHBondContact O-N 3.2Å; H575-H579 AromaticContact CD2-NE2 3.96Å; H575-H579 AromaticContact CE1-NE2 3.79Å; H575-H579 AromaticContact NE2-CE1 3.91Å; H575-H579 AromaticContact NE2-NE2 3.36Å; H575-H579 PolarHBondContact NE2-NE2 2.91Å
576	Q	58.9	Low	56.8	Low	64 Å²	64	64.8 Å²	64.8	30%	0.299	35%	0.349	S	S	.	.	H	α-helix	trans	-63.7	-32.3	176.1	-70.2	172.6	-72.9	0	0	111.8	L572 L573 I578 H579 T580	L572-Q576 HydrophobicContact CD1-CG 4.07Å; L572-Q576 HydrophobicContact CG-CG 4.43Å; L572-Q576 WeakPolarHBondContact O-CG 3.43Å; L572-Q576 PolarHBondContact O-N 3.07Å; L573-Q576 PolarHBondContact O-N 3.25Å; Q576-I578 PolarHBondContact O-N 3.31Å; Q576-H579 PolarHBondContact O-N 3.04Å; Q576-T580 PolarHBondContact O-N 3.08Å; Q576-T580 VanDerWaalsContact O-N 3.15Å
577	Q	58.4	Low	56.5	Low	46 Å²	46	62.5 Å²	62.5	22%	0.215	34%	0.339	C	S	.	.	H	α-helix	trans	-60.6	-7.8	167.8	-64.4	-179.7	-41	0	0	114.2	L573 H575 R595	L573-Q577 PolarHBondContact O-N 3.03Å; H575-Q577 PolarHBondContact O-N 3.35Å; Q577-R595 VanDerWaalsContact O-CD 3.29Å; Q577-R595 WeakPolarHBondContact O-CD 3.4Å; Q577-R595 PolarHBondContact O-NE 3.42Å; Q577-R595 PolarHBondContact O-NH2 2.89Å; Q577-R595 PolarHBondContact OE1-O 3.37Å
578	I	56.7	Low	57.2	Low	88 Å²	88	69.5 Å²	69.5	45%	0.451	37%	0.365	S	S	.	.	H	α-helix	trans	-76.5	-39.3	169.5	-57.6	-171.3	0	0	0	111.2	H575 Q576 R595	H575-I578 WeakPolarHBondContact O-CA 3.42Å; H575-I578 WeakPolarHBondContact O-CB 3.48Å; H575-I578 WeakPolarHBondContact O-CG1 3.3Å; H575-I578 PolarHBondContact O-N 3.2Å; Q576-I578 PolarHBondContact O-N 3.31Å; I578-R595 PolarHBondContact O-NH2 2.99Å
579	H	51.3	Low	56.7	Low	67 Å²	67	73.3 Å²	73.3	31%	0.31	38%	0.381	S	S	.	.	H	α-helix	trans	-82.1	-45.9	-176.2	-52.3	-54	0	0	0	112.1	C559 E561 C562 H575 Q576 G581	C559-H579 PolarHBondContact SG-NE2 2.84Å; E561-H579 WeakPolarHBondContact OE1-CB 3.34Å; E561-H579 IonicContact OE1-CG 3.74Å; E561-H579 IonicContact OE2-CD2 3.3Å; E561-H579 PolarHBondContact OE2-CD2 3.35Å; E561-H579 IonicContact OE2-CG 3.88Å; C562-H579 VanDerWaalsContact SG-CE1 3.51Å; C562-H579 PolarHBondContact SG-NE2 3.22Å; H575-H579 AromaticContact CD2-NE2 3.96Å; H575-H579 AromaticContact CE1-NE2 3.79Å; H575-H579 AromaticContact NE2-CE1 3.91Å; H575-H579 AromaticContact NE2-NE2 3.36Å; H575-H579 PolarHBondContact NE2-NE2 2.91Å; Q576-H579 PolarHBondContact O-N 3.04Å; H579-G581 PolarHBondContact O-N 3.41Å
580	T	51.5	Low	57	Low	77 Å²	77	74.9 Å²	74.9	47%	0.472	39%	0.388	S	S	.	.	S	Bend	trans	-65.2	-3.9	177.7	64.8	0	0	0	0	114.2	Q576 E582	Q576-T580 PolarHBondContact O-N 3.08Å; Q576-T580 VanDerWaalsContact O-N 3.15Å; T580-E582 PolarHBondContact O-N 2.88Å
581	G	52.1	Low	56.7	Low	37 Å²	37	74.2 Å²	74.2	38%	0.381	39%	0.394	S	S	.	.			trans	76.5	-37.5	-179.2	0	0	0	0	0	114.1	H579 R595	H579-G581 PolarHBondContact O-N 3.41Å; G581-R595 PolarHBondContact O-NH2 3.08Å
582	E	52.1	Low	56.3	Low	110 Å²	110	77.7 Å²	77.7	51%	0.514	41%	0.405	S	S	.	.			trans	-36.1	137.9	-171.5	-67.3	-176.7	152	0	0	115.5	T580 P584 R595	T580-E582 PolarHBondContact O-N 2.88Å; E582-P584 HydrophobicContact CB-CG 4.38Å; E582-R595 WeakPolarHBondContact O-CG 3.35Å; E582-R595 PolarHBondContact O-NE 3.36Å
583	K	53.9	Low	55.7	Low	120 Å²	120	78.7 Å²	78.7	52%	0.522	42%	0.416	S	S	.	.			trans	-135.9	73.2	177.1	-66.9	161.4	-176.6	172	0	109.9	Y585 A593 F594 R595	K583-Y585 PolarHBondContact O-N 3.17Å; K583-A593 HydrophobicContact CB-CB 3.56Å; K583-A593 HydrophobicContact CD-CB 4.06Å; K583-A593 WeakPolarHBondContact CD-O 3.42Å; K583-A593 HydrophobicContact CG-CB 4.42Å; K583-F594 CarbonylContact C-O 3.55Å; K583-F594 WeakPolarHBondContact CA-O 3.44Å; K583-R595 HydrophobicContact CG-CG 4.02Å
584	P	57.7	Low	55.9	Low	68 Å²	68	75.6 Å²	75.6	44%	0.442	40%	0.398	S	S	.	.			trans	-72.9	18	-166.3	-18.6	34.1	0	0	0	116.4	E582	E582-P584 HydrophobicContact CB-CG 4.38Å
585	Y	63.9	Low	55.7	Low	81 Å²	81	74.9 Å²	74.9	32%	0.318	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	85.1	-173.8	-56.3	-77.2	0	0	0	109.6	K583 F594 R597	K583-Y585 PolarHBondContact O-N 3.17Å; Y585-F594 WeakPolarHBondContact CB-O 3.26Å; Y585-F594 PolarHBondContact N-O 3.07Å; Y585-F594 PolarHBondContact O-N 3.07Å; Y585-R597 HydrophobicContact CD1-CB 3.81Å; Y585-R597 HydrophobicContact CD1-CG 4.3Å; Y585-R597 HydrophobicContact CE1-CB 3.71Å; Y585-R597 HydrophobicContact CE1-CG 4.36Å; Y585-R597 HydrophobicContact CG-CB 4.33Å
586	D	50.5	Low	55.4	Low	87 Å²	87	76.7 Å²	76.7	47%	0.465	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	147.7	176.2	59.8	-69.9	0	0	0	113.1	K588 L600	D586-K588 WeakPolarHBondContact OD2-CG 3.31Å; D586-L600 WeakPolarHBondContact O-CD1 3.47Å; D586-L600 WeakPolarHBondContact O-CD2 3.45Å
587	C	61.8	Low	55	Low	0 Å²	0	81.8 Å²	81.8	0%	0	42%	0.417	C	S	.	.			trans	-101.4	101.8	168.2	-179.5	0	0	0	0	109.2	E589 C590 G591 K592 F594 L600 H607	C587-E589 PolarHBondContact O-N 3.47Å; C587-C590 PolarHBondContact O-N 2.97Å; C587-C590 VanDerWaalsContact O-N 3.08Å; C587-C590 VanDerWaalsContact SG-SG 3.69Å; C587-G591 WeakPolarHBondContact O-CA 3.41Å; C587-G591 PolarHBondContact O-N 3.06Å; C587-K592 VanDerWaalsContact CB-O 3.25Å; C587-K592 WeakPolarHBondContact CB-O 3.37Å; C587-K592 PolarHBondContact N-O 3.15Å; C587-F594 HydrophobicContact CB-CE2 4.31Å; C587-L600 HydrophobicContact CB-CD1 3.53Å; C587-H607 VanDerWaalsContact SG-CD2 3.53Å; C587-H607 PolarHBondContact SG-NE2 3.31Å
588	K	62.2	Low	54.6	Low	193 Å²	193	85 Å²	85	84%	0.839	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.8	-25.6	-178.1	-62.9	-166	174	-166.1	0	114.4	D586	D586-K588 WeakPolarHBondContact OD2-CG 3.31Å
589	E	54.3	Low	54.6	Low	110 Å²	110	88 Å²	88	51%	0.514	44%	0.441	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-17.9	-179.2	-62.6	156	120.7	0	0	113.9	C587 H607	C587-E589 PolarHBondContact O-N 3.47Å; E589-H607 IonicContact OE2-CD2 3.62Å; E589-H607 PolarHBondContact OE2-CD2 2.88Å
590	C	56.3	Low	55.1	Low	50 Å²	50	85.6 Å²	85.6	34%	0.338	43%	0.431	S	S	.	.	T	Hydrogen-bonded Turn	trans	-154.1	16.2	-179.8	70.4	0	0	0	0	116.1	C587 K592 H603 H607	C587-C590 PolarHBondContact O-N 2.97Å; C587-C590 VanDerWaalsContact O-N 3.08Å; C587-C590 VanDerWaalsContact SG-SG 3.69Å; C590-K592 PolarHBondContact O-N 3.01Å; C590-H603 PolarHBondContact SG-NE2 3.24Å; C590-H607 PolarHBondContact SG-CE1 2.93Å; C590-H607 PolarHBondContact SG-NE2 3.49Å
591	G	50.6	Low	55.4	Low	64 Å²	64	85 Å²	85	66%	0.66	43%	0.427	S	S	*	.			trans	68.5	-4.8	177.1	0	0	0	0	0	116.3	C587 A593	C587-G591 WeakPolarHBondContact O-CA 3.41Å; C587-G591 PolarHBondContact O-N 3.06Å; G591-A593 PolarHBondContact O-N 3.42Å
592	K	52.2	Low	55.7	Low	124 Å²	124	85.6 Å²	85.6	54%	0.539	42%	0.42	S	S	.	.			trans	-72	116.8	-176.4	-71.7	173.7	-173.8	159.8	0	110.8	C587 C590 F594	C587-K592 VanDerWaalsContact CB-O 3.25Å; C587-K592 WeakPolarHBondContact CB-O 3.37Å; C587-K592 PolarHBondContact N-O 3.15Å; C590-K592 PolarHBondContact O-N 3.01Å; K592-F594 HydrophobicContact CB-CE2 3.77Å; K592-F594 HydrophobicContact CB-CZ 4.03Å; K592-F594 VanDerWaalsContact O-CD2 3.27Å; K592-F594 WeakPolarHBondContact O-CD2 3.32Å; K592-F594 WeakPolarHBondContact O-CE2 3.33Å
593	A	50.3	Low	56.1	Low	41 Å²	41	81.3 Å²	81.3	34%	0.339	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	139.1	178.6	0	0	0	0	0	112.6	K583 G591	K583-A593 HydrophobicContact CB-CB 3.56Å; K583-A593 HydrophobicContact CD-CB 4.06Å; K583-A593 WeakPolarHBondContact CD-O 3.42Å; K583-A593 HydrophobicContact CG-CB 4.42Å; G591-A593 PolarHBondContact O-N 3.42Å
594	F	62.4	Low	56.4	Low	49 Å²	49	78.9 Å²	78.9	22%	0.215	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	152.7	-175.1	-63.5	-91.5	0	0	0	112	K583 Y585 C587 K592 L596 R599 L600 H603	K583-F594 CarbonylContact C-O 3.55Å; K583-F594 WeakPolarHBondContact CA-O 3.44Å; Y585-F594 WeakPolarHBondContact CB-O 3.26Å; Y585-F594 PolarHBondContact N-O 3.07Å; Y585-F594 PolarHBondContact O-N 3.07Å; C587-F594 HydrophobicContact CB-CE2 4.31Å; K592-F594 HydrophobicContact CB-CE2 3.77Å; K592-F594 HydrophobicContact CB-CZ 4.03Å; K592-F594 VanDerWaalsContact O-CD2 3.27Å; K592-F594 WeakPolarHBondContact O-CD2 3.32Å; K592-F594 WeakPolarHBondContact O-CE2 3.33Å; F594-L596 VanDerWaalsContact C-N 3.34Å; F594-R599 HydrophobicContact CB-CB 4.45Å; F594-R599 HydrophobicContact CD1-CB 4.05Å; F594-L600 HydrophobicContact CB-CB 4.34Å; F594-L600 HydrophobicContact CD2-CB 4.18Å; F594-L600 HydrophobicContact CD2-CD1 4.03Å; F594-L600 HydrophobicContact CE2-CD1 4.37Å; F594-L600 HydrophobicContact CG-CB 4.43Å; F594-H603 HydrophobicContact CE1-CB 4.13Å; F594-H603 HydrophobicContact CE2-CB 3.97Å; F594-H603 AromaticContact CE2-CD2 3.18Å; F594-H603 WeakPolarHBondContact CE2-CD2 3.48Å; F594-H603 AromaticContact CE2-CG 3.64Å; F594-H603 AromaticContact CE2-NE2 3.91Å; F594-H603 HydrophobicContact CZ-CB 3.62Å; F594-H603 AromaticContact CZ-CD2 3.29Å; F594-H603 WeakPolarHBondContact CZ-CD2 3.34Å; F594-H603 AromaticContact CZ-CG 3.29Å; F594-H603 AromaticContact CZ-ND1 3.93Å; F594-H603 AromaticContact CZ-NE2 3.88Å
595	R	51.4	Low	56.7	Low	79 Å²	79	77.5 Å²	77.5	30%	0.298	38%	0.378	S	S	.	.	S	Bend	trans	-80.5	-14.1	177	-55.7	-167	160.1	152.7	-18.4	113.8	Q577 I578 G581 E582 K583	Q577-R595 VanDerWaalsContact O-CD 3.29Å; Q577-R595 WeakPolarHBondContact O-CD 3.4Å; Q577-R595 PolarHBondContact O-NE 3.42Å; Q577-R595 PolarHBondContact O-NH2 2.89Å; Q577-R595 PolarHBondContact OE1-O 3.37Å; I578-R595 PolarHBondContact O-NH2 2.99Å; G581-R595 PolarHBondContact O-NH2 3.08Å; E582-R595 WeakPolarHBondContact O-CG 3.35Å; E582-R595 PolarHBondContact O-NE 3.36Å; K583-R595 HydrophobicContact CG-CG 4.02Å
596	L	55.5	Low	56.4	Low	55 Å²	55	78.9 Å²	78.9	29%	0.288	39%	0.39	S	S	.	.	S	Bend	trans	-138.1	132.9	-177	-71.9	179.1	0	0	0	111.5	Q574 F594 L598 R599 L600	Q574-L596 HydrophobicContact CG-CD2 4.12Å; F594-L596 VanDerWaalsContact C-N 3.34Å; L596-L598 VanDerWaalsContact C-N 3.27Å; L596-L598 PolarHBondContact O-N 3.35Å; L596-R599 HydrophobicContact CB-CB 4.28Å; L596-R599 HydrophobicContact CB-CG 4.16Å; L596-R599 HydrophobicContact CD1-CG 4.38Å; L596-R599 PolarHBondContact O-N 3.3Å; L596-L600 PolarHBondContact O-N 2.88Å; L596-L600 VanDerWaalsContact O-N 3.07Å
597	R	49.1	Very low	56.6	Low	171 Å²	171	78.2 Å²	78.2	65%	0.645	38%	0.384	S	S	*	.	H	α-helix	trans	-51.9	-42.2	172.1	-169.7	175.3	177.1	177.6	0.4	113	Y585 R599 L600 T601	Y585-R597 HydrophobicContact CD1-CB 3.81Å; Y585-R597 HydrophobicContact CD1-CG 4.3Å; Y585-R597 HydrophobicContact CE1-CB 3.71Å; Y585-R597 HydrophobicContact CE1-CG 4.36Å; Y585-R597 HydrophobicContact CG-CB 4.33Å; R597-R599 PolarHBondContact O-N 3.32Å; R597-L600 WeakPolarHBondContact O-CB 3.33Å; R597-L600 PolarHBondContact O-N 3.41Å; R597-L600 VanDerWaalsContact O-N 3.17Å; R597-T601 PolarHBondContact O-N 3.23Å; R597-T601 PolarHBondContact O-OG1 3.19Å
598	L	50.7	Low	56.3	Low	115 Å²	115	82 Å²	82	60%	0.602	41%	0.407	S	S	*	.	H	α-helix	trans	-61.7	-31.4	177.6	-179.2	62.1	0	0	0	112.9	L596 Q602	L596-L598 VanDerWaalsContact C-N 3.27Å; L596-L598 PolarHBondContact O-N 3.35Å; L598-Q602 WeakPolarHBondContact O-CB 3.16Å; L598-Q602 VanDerWaalsContact O-CG 3.29Å; L598-Q602 WeakPolarHBondContact O-CG 3.33Å; L598-Q602 PolarHBondContact O-N 2.91Å; L598-Q602 VanDerWaalsContact O-N 3.08Å
599	R	56	Low	56.1	Low	149 Å²	149	74.7 Å²	74.7	56%	0.562	39%	0.386	S	S	*	.	H	α-helix	trans	-79.4	-32.9	175.9	-68.7	-56.2	-160.7	178.2	9.1	112.4	F594 L596 R597 H603	F594-R599 HydrophobicContact CB-CB 4.45Å; F594-R599 HydrophobicContact CD1-CB 4.05Å; L596-R599 HydrophobicContact CB-CB 4.28Å; L596-R599 HydrophobicContact CB-CG 4.16Å; L596-R599 HydrophobicContact CD1-CG 4.38Å; L596-R599 PolarHBondContact O-N 3.3Å; R597-R599 PolarHBondContact O-N 3.32Å; R599-H603 VanDerWaalsContact O-CB 3.24Å; R599-H603 WeakPolarHBondContact O-CB 3.21Å; R599-H603 PolarHBondContact O-N 2.85Å; R599-H603 VanDerWaalsContact O-N 3.08Å
600	L	62.3	Low	56.2	Low	18 Å²	18	74.7 Å²	74.7	9%	0.094	39%	0.386	C	S	.	.	H	α-helix	trans	-61.5	-50.2	167.7	172.1	61.4	0	0	0	110.7	D586 C587 F594 L596 R597 Q602 H603 Q604	D586-L600 WeakPolarHBondContact O-CD1 3.47Å; D586-L600 WeakPolarHBondContact O-CD2 3.45Å; C587-L600 HydrophobicContact CB-CD1 3.53Å; F594-L600 HydrophobicContact CB-CB 4.34Å; F594-L600 HydrophobicContact CD2-CB 4.18Å; F594-L600 HydrophobicContact CD2-CD1 4.03Å; F594-L600 HydrophobicContact CE2-CD1 4.37Å; F594-L600 HydrophobicContact CG-CB 4.43Å; L596-L600 PolarHBondContact O-N 2.88Å; L596-L600 VanDerWaalsContact O-N 3.07Å; R597-L600 WeakPolarHBondContact O-CB 3.33Å; R597-L600 PolarHBondContact O-N 3.41Å; R597-L600 VanDerWaalsContact O-N 3.17Å; L600-Q602 PolarHBondContact O-N 3.07Å; L600-H603 CarbonylContact O-C 3.54Å; L600-H603 WeakPolarHBondContact O-CA 3.22Å; L600-H603 WeakPolarHBondContact O-CB 3.07Å; L600-H603 PolarHBondContact O-N 3.2Å; L600-Q604 HydrophobicContact CD1-CG 3.95Å; L600-Q604 HydrophobicContact CG-CG 4.35Å; L600-Q604 WeakPolarHBondContact O-CG 3.26Å; L600-Q604 PolarHBondContact O-N 3.16Å
601	T	58.7	Low	56.5	Low	63 Å²	63	77.9 Å²	77.9	39%	0.387	39%	0.394	S	S	.	.	H	α-helix	trans	-61.9	-43	179.7	-53.3	0	0	0	0	112.4	R597 H603 Q604 Q605	R597-T601 PolarHBondContact O-N 3.23Å; R597-T601 PolarHBondContact O-OG1 3.19Å; T601-H603 PolarHBondContact O-N 2.89Å; T601-Q604 PolarHBondContact O-N 3.15Å; T601-Q605 WeakPolarHBondContact O-CG 3.44Å; T601-Q605 PolarHBondContact O-N 3.16Å
602	Q	56.9	Low	57.1	Low	51 Å²	51	78.4 Å²	78.4	24%	0.238	39%	0.386	C	S	.	.	H	α-helix	trans	-64.8	-17.3	171.9	-75.6	178.2	-12.1	0	0	114.1	L598 L600	L598-Q602 WeakPolarHBondContact O-CB 3.16Å; L598-Q602 VanDerWaalsContact O-CG 3.29Å; L598-Q602 WeakPolarHBondContact O-CG 3.33Å; L598-Q602 PolarHBondContact O-N 2.91Å; L598-Q602 VanDerWaalsContact O-N 3.08Å; L600-Q602 PolarHBondContact O-N 3.07Å
603	H	61.5	Low	57.8	Low	19 Å²	19	77 Å²	77	9%	0.088	38%	0.378	C	S	.	.	H	α-helix	trans	-91.8	-36.3	176.2	172.9	56.7	0	0	0	112.3	C590 F594 R599 L600 T601 Q605 I606 H607	C590-H603 PolarHBondContact SG-NE2 3.24Å; F594-H603 HydrophobicContact CE1-CB 4.13Å; F594-H603 HydrophobicContact CE2-CB 3.97Å; F594-H603 AromaticContact CE2-CD2 3.18Å; F594-H603 WeakPolarHBondContact CE2-CD2 3.48Å; F594-H603 AromaticContact CE2-CG 3.64Å; F594-H603 AromaticContact CE2-NE2 3.91Å; F594-H603 HydrophobicContact CZ-CB 3.62Å; F594-H603 AromaticContact CZ-CD2 3.29Å; F594-H603 WeakPolarHBondContact CZ-CD2 3.34Å; F594-H603 AromaticContact CZ-CG 3.29Å; F594-H603 AromaticContact CZ-ND1 3.93Å; F594-H603 AromaticContact CZ-NE2 3.88Å; R599-H603 VanDerWaalsContact O-CB 3.24Å; R599-H603 WeakPolarHBondContact O-CB 3.21Å; R599-H603 PolarHBondContact O-N 2.85Å; R599-H603 VanDerWaalsContact O-N 3.08Å; L600-H603 CarbonylContact O-C 3.54Å; L600-H603 WeakPolarHBondContact O-CA 3.22Å; L600-H603 WeakPolarHBondContact O-CB 3.07Å; L600-H603 PolarHBondContact O-N 3.2Å; T601-H603 PolarHBondContact O-N 2.89Å; H603-Q605 PolarHBondContact O-N 3.43Å; H603-I606 WeakPolarHBondContact O-CB 3.21Å; H603-I606 WeakPolarHBondContact O-CG1 3.43Å; H603-I606 PolarHBondContact O-N 3.33Å; H603-H607 AromaticContact CD2-NE2 3.71Å; H603-H607 AromaticContact CE1-CE1 3.56Å; H603-H607 AromaticContact CE1-NE2 3.41Å; H603-H607 PolarHBondContact CE1-NE2 3.35Å; H603-H607 AromaticContact NE2-CE1 3.63Å; H603-H607 AromaticContact NE2-NE2 3.08Å; H603-H607 PolarHBondContact NE2-NE2 2.74Å
604	Q	60	Low	58.2	Low	69 Å²	69	80 Å²	80	32%	0.322	39%	0.385	S	S	.	.	H	α-helix	trans	-60.5	-33.7	173.5	-68.8	173.9	-72.9	0	0	111.5	L600 T601 I606 H607 T608	L600-Q604 HydrophobicContact CD1-CG 3.95Å; L600-Q604 HydrophobicContact CG-CG 4.35Å; L600-Q604 WeakPolarHBondContact O-CG 3.26Å; L600-Q604 PolarHBondContact O-N 3.16Å; T601-Q604 PolarHBondContact O-N 3.15Å; Q604-I606 PolarHBondContact O-N 3Å; Q604-H607 PolarHBondContact O-N 2.89Å; Q604-T608 PolarHBondContact O-N 2.79Å
605	Q	63.8	Low	58.5	Low	40 Å²	40	77.6 Å²	77.6	19%	0.187	38%	0.375	C	S	.	.	H	α-helix	trans	-63.7	-5	170.3	-68	178.6	-52.3	0	0	114.8	T601 H603 T608 V623	T601-Q605 WeakPolarHBondContact O-CG 3.44Å; T601-Q605 PolarHBondContact O-N 3.16Å; H603-Q605 PolarHBondContact O-N 3.43Å; Q605-T608 WeakPolarHBondContact CA-OG1 3.31Å; Q605-V623 HydrophobicContact CB-CG1 3.55Å; Q605-V623 HydrophobicContact CG-CG1 4.42Å
606	I	57.6	Low	59.3	Low	110 Å²	110	81.6 Å²	81.6	56%	0.564	40%	0.397	S	S	*	.	H	α-helix	trans	-85.9	-32.4	168.4	-55.8	178.2	0	0	0	110.5	H603 Q604	H603-I606 WeakPolarHBondContact O-CB 3.21Å; H603-I606 WeakPolarHBondContact O-CG1 3.43Å; H603-I606 PolarHBondContact O-N 3.33Å; Q604-I606 PolarHBondContact O-N 3Å
607	H	54.3	Low	59.7	Low	73 Å²	73	84.5 Å²	84.5	34%	0.338	41%	0.409	S	S	.	.	H	α-helix	trans	-82.6	-41.9	179.1	-50.5	-47.9	0	0	0	111.7	C587 E589 C590 H603 Q604 G609	C587-H607 VanDerWaalsContact SG-CD2 3.53Å; C587-H607 PolarHBondContact SG-NE2 3.31Å; E589-H607 IonicContact OE2-CD2 3.62Å; E589-H607 PolarHBondContact OE2-CD2 2.88Å; C590-H607 PolarHBondContact SG-CE1 2.93Å; C590-H607 PolarHBondContact SG-NE2 3.49Å; H603-H607 AromaticContact CD2-NE2 3.71Å; H603-H607 AromaticContact CE1-CE1 3.56Å; H603-H607 AromaticContact CE1-NE2 3.41Å; H603-H607 PolarHBondContact CE1-NE2 3.35Å; H603-H607 AromaticContact NE2-CE1 3.63Å; H603-H607 AromaticContact NE2-NE2 3.08Å; H603-H607 PolarHBondContact NE2-NE2 2.74Å; Q604-H607 PolarHBondContact O-N 2.89Å; H607-G609 PolarHBondContact O-N 3.02Å
608	T	57.1	Low	60.5	Low	79 Å²	79	78.8 Å²	78.8	49%	0.485	40%	0.395	S	S	.	.	S	Bend	trans	-70.9	-9.7	172.8	66.3	0	0	0	0	113.2	Q604 Q605 E610	Q604-T608 PolarHBondContact O-N 2.79Å; Q605-T608 WeakPolarHBondContact CA-OG1 3.31Å; T608-E610 PolarHBondContact O-N 2.85Å; T608-E610 VanDerWaalsContact O-N 3.07Å; T608-E610 WeakPolarHBondContact OG1-CG 3Å
609	G	56.7	Low	60.9	Low	39 Å²	39	75.3 Å²	75.3	40%	0.402	39%	0.386	S	S	.	.			trans	70.9	-7	-177.1	0	0	0	0	0	115.3	H607 K611	H607-G609 PolarHBondContact O-N 3.02Å; G609-K611 PolarHBondContact O-N 3.25Å
610	E	57	Low	61.1	Low	111 Å²	111	74.3 Å²	74.3	52%	0.519	39%	0.386	S	S	.	.			trans	-59.3	122.7	-174.6	-71.6	-176.1	147	0	0	112.8	T608	T608-E610 PolarHBondContact O-N 2.85Å; T608-E610 VanDerWaalsContact O-N 3.07Å; T608-E610 WeakPolarHBondContact OG1-CG 3Å
611	K	61.7	Low	61	Low	116 Å²	116	75.3 Å²	75.3	50%	0.504	40%	0.397	S	S	.	.			trans	-128.7	76.4	177.8	-70.6	155.9	-171.7	159.2	0	109.5	G609 Y613 A621 F622 V623	G609-K611 PolarHBondContact O-N 3.25Å; K611-Y613 PolarHBondContact O-N 3.34Å; K611-A621 HydrophobicContact CB-CB 3.5Å; K611-A621 VanDerWaalsContact CB-CB 3.5Å; K611-A621 HydrophobicContact CD-CB 4.22Å; K611-A621 HydrophobicContact CG-CB 4.43Å; K611-F622 CarbonylContact C-O 3.52Å; K611-F622 VanDerWaalsContact C-O 3.25Å; K611-F622 WeakPolarHBondContact CA-O 3.29Å; K611-V623 HydrophobicContact CG-CG2 3.97Å
612	P	64.1	Low	61.6	Low	76 Å²	76	74.8 Å²	74.8	49%	0.494	39%	0.389	S	S	.	.			trans	-66	-8	-167.9	-22.5	34.8	0	0	0	115.5
613	Y	67.1	Low	61.5	Low	94 Å²	94	74.1 Å²	74.1	37%	0.369	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	88.9	-171	-54.4	-69.4	0	0	0	110.5	K611 F622 S624 V625	K611-Y613 PolarHBondContact O-N 3.34Å; Y613-F622 WeakPolarHBondContact CB-O 3.46Å; Y613-F622 WeakPolarHBondContact CD2-O 3.31Å; Y613-F622 PolarHBondContact N-O 3.48Å; Y613-F622 VanDerWaalsContact N-O 3.13Å; Y613-F622 PolarHBondContact O-N 3.5Å; Y613-S624 VanDerWaalsContact CD2-C 3.42Å; Y613-V625 HydrophobicContact CD1-CG2 3.56Å; Y613-V625 HydrophobicContact CD2-CG2 4.41Å; Y613-V625 HydrophobicContact CE1-CG2 3.33Å; Y613-V625 HydrophobicContact CE2-CG2 4.2Å; Y613-V625 HydrophobicContact CG-CG2 4.1Å
614	Q	58.9	Low	61.4	Low	103 Å²	103	74.8 Å²	74.8	48%	0.481	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	137.7	-178.7	-162.8	174.6	15.9	0	0	112.7	G619 A621	Q614-G619 WeakPolarHBondContact CG-O 3.4Å; Q614-G619 PolarHBondContact NE2-O 3.35Å; Q614-A621 HydrophobicContact CB-CB 4.47Å; Q614-A621 HydrophobicContact CG-CB 4.36Å
615	C	67.7	Low	61	Low	0 Å²	0	75 Å²	75	0%	0	40%	0.401	C	S	.	.			trans	-83.3	113.5	171	-176.1	0	0	0	0	110	E617 C618 G619 K620 L628 H632	C615-E617 PolarHBondContact O-N 2.95Å; C615-C618 PolarHBondContact O-N 2.99Å; C615-G619 WeakPolarHBondContact O-CA 3.47Å; C615-G619 PolarHBondContact O-N 3.11Å; C615-K620 WeakPolarHBondContact CB-O 3.49Å; C615-K620 PolarHBondContact N-O 3.04Å; C615-L628 HydrophobicContact CB-CD1 3.6Å; C615-H632 VanDerWaalsContact SG-CD2 3.58Å; C615-H632 PolarHBondContact SG-NE2 3.49Å; C615-H632 VanDerWaalsContact SG-NE2 3.44Å
616	Q	68.2	Low	60.8	Low	163 Å²	163	77.5 Å²	77.5	76%	0.762	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.8	-24.2	-178.8	-55.5	-57.5	-21.6	0	0	112.7	C618	Q616-C618 PolarHBondContact O-N 3.31Å
617	E	65.5	Low	61	Low	115 Å²	115	73.1 Å²	73.1	54%	0.537	41%	0.405	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-14.9	-179.2	-59.4	173.5	128.4	0	0	113.9	C615 H635	C615-E617 PolarHBondContact O-N 2.95Å; E617-H635 WeakPolarHBondContact OE2-CB 3.41Å; E617-H635 IonicContact OE2-CD2 3.95Å; E617-H635 PolarHBondContact OE2-CD2 3.23Å; E617-H635 IonicContact OE2-CG 3.32Å
618	C	64.1	Low	61.7	Low	52 Å²	52	70.9 Å²	70.9	35%	0.351	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	-156.9	17.4	-179.8	72	0	0	0	0	115.7	C615 Q616 K620 H631 H635	C615-C618 PolarHBondContact O-N 2.99Å; Q616-C618 PolarHBondContact O-N 3.31Å; C618-K620 PolarHBondContact O-N 2.97Å; C618-H631 PolarHBondContact SG-NE2 3.08Å; C618-H635 VanDerWaalsContact SG-CE1 3.59Å; C618-H635 PolarHBondContact SG-NE2 2.68Å
619	G	59.2	Low	62	Low	41 Å²	41	70.5 Å²	70.5	42%	0.423	39%	0.393	S	S	.	.			trans	67.8	-9.3	178.2	0	0	0	0	0	116.7	Q614 C615 A621	Q614-G619 WeakPolarHBondContact CG-O 3.4Å; Q614-G619 PolarHBondContact NE2-O 3.35Å; C615-G619 WeakPolarHBondContact O-CA 3.47Å; C615-G619 PolarHBondContact O-N 3.11Å; G619-A621 PolarHBondContact O-N 3.36Å
620	K	61.9	Low	62.2	Low	129 Å²	129	72.9 Å²	72.9	56%	0.561	39%	0.394	S	S	*	.			trans	-69.1	124.9	-173.3	-74.7	174.1	-178.4	164.5	0	112.2	C615 C618 F622	C615-K620 WeakPolarHBondContact CB-O 3.49Å; C615-K620 PolarHBondContact N-O 3.04Å; C618-K620 PolarHBondContact O-N 2.97Å; K620-F622 HydrophobicContact CB-CE2 3.87Å; K620-F622 HydrophobicContact CB-CZ 4.17Å; K620-F622 WeakPolarHBondContact O-CD2 3.46Å; K620-F622 VanDerWaalsContact O-CE2 3.26Å; K620-F622 WeakPolarHBondContact O-CE2 3.38Å
621	A	60.1	Low	62.8	Low	39 Å²	39	68.5 Å²	68.5	32%	0.322	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	140.8	-176.1	0	0	0	0	0	112.8	K611 Q614 G619	K611-A621 HydrophobicContact CB-CB 3.5Å; K611-A621 VanDerWaalsContact CB-CB 3.5Å; K611-A621 HydrophobicContact CD-CB 4.22Å; K611-A621 HydrophobicContact CG-CB 4.43Å; Q614-A621 HydrophobicContact CB-CB 4.47Å; Q614-A621 HydrophobicContact CG-CB 4.36Å; G619-A621 PolarHBondContact O-N 3.36Å
622	F	70.2	Confident	63.1	Low	52 Å²	52	66 Å²	66	23%	0.228	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	149.5	-174.9	-63	-91.2	0	0	0	112.3	K611 Y613 K620 S624 L628 H631	K611-F622 CarbonylContact C-O 3.52Å; K611-F622 VanDerWaalsContact C-O 3.25Å; K611-F622 WeakPolarHBondContact CA-O 3.29Å; Y613-F622 WeakPolarHBondContact CB-O 3.46Å; Y613-F622 WeakPolarHBondContact CD2-O 3.31Å; Y613-F622 PolarHBondContact N-O 3.48Å; Y613-F622 VanDerWaalsContact N-O 3.13Å; Y613-F622 PolarHBondContact O-N 3.5Å; K620-F622 HydrophobicContact CB-CE2 3.87Å; K620-F622 HydrophobicContact CB-CZ 4.17Å; K620-F622 WeakPolarHBondContact O-CD2 3.46Å; K620-F622 VanDerWaalsContact O-CE2 3.26Å; K620-F622 WeakPolarHBondContact O-CE2 3.38Å; F622-S624 VanDerWaalsContact C-N 3.27Å; F622-S624 PolarHBondContact O-N 3.31Å; F622-L628 HydrophobicContact CB-CB 4.45Å; F622-L628 HydrophobicContact CD2-CB 4.31Å; F622-L628 HydrophobicContact CD2-CD1 3.77Å; F622-L628 HydrophobicContact CE2-CD1 4.19Å; F622-H631 HydrophobicContact CE1-CB 4.01Å; F622-H631 HydrophobicContact CE2-CB 3.77Å; F622-H631 AromaticContact CE2-CD2 3.35Å; F622-H631 WeakPolarHBondContact CE2-CD2 3.37Å; F622-H631 AromaticContact CE2-CG 3.53Å; F622-H631 HydrophobicContact CZ-CB 3.46Å; F622-H631 VanDerWaalsContact CZ-CB 3.46Å; F622-H631 AromaticContact CZ-CD2 3.53Å; F622-H631 AromaticContact CZ-CG 3.23Å; F622-H631 AromaticContact CZ-ND1 3.66Å
623	V	55.2	Low	63.5	Low	36 Å²	36	65 Å²	65	22%	0.218	35%	0.349	C	S	.	.	S	Bend	trans	-75.2	-13.5	178.1	-178.8	0	0	0	0	112.5	Q605 K611	Q605-V623 HydrophobicContact CB-CG1 3.55Å; Q605-V623 HydrophobicContact CG-CG1 4.42Å; K611-V623 HydrophobicContact CG-CG2 3.97Å
624	S	58.8	Low	63.4	Low	33 Å²	33	64.3 Å²	64.3	23%	0.231	35%	0.351	C	S	.	.	S	Bend	trans	-148.8	148.1	176.2	64.1	0	0	0	0	113.3	Y613 F622 S626 G627 L628	Y613-S624 VanDerWaalsContact CD2-C 3.42Å; F622-S624 VanDerWaalsContact C-N 3.27Å; F622-S624 PolarHBondContact O-N 3.31Å; S624-S626 PolarHBondContact O-N 2.89Å; S624-G627 WeakPolarHBondContact O-CA 3.4Å; S624-G627 PolarHBondContact O-N 3.47Å; S624-G627 PolarHBondContact OG-N 2.88Å; S624-L628 PolarHBondContact O-N 2.9Å; S624-L628 VanDerWaalsContact O-N 3.1Å
625	V	52.7	Low	63.6	Low	75 Å²	75	63 Å²	63	46%	0.455	35%	0.345	S	S	.	.	H	α-helix	trans	-50.3	-42.1	172.2	-175.5	0	0	0	0	111.2	Y613 G627 L628 T629	Y613-V625 HydrophobicContact CD1-CG2 3.56Å; Y613-V625 HydrophobicContact CD2-CG2 4.41Å; Y613-V625 HydrophobicContact CE1-CG2 3.33Å; Y613-V625 HydrophobicContact CE2-CG2 4.2Å; Y613-V625 HydrophobicContact CG-CG2 4.1Å; V625-G627 VanDerWaalsContact C-N 3.26Å; V625-G627 PolarHBondContact O-N 3.35Å; V625-L628 CarbonylContact O-C 3.53Å; V625-L628 WeakPolarHBondContact O-CA 3.42Å; V625-L628 WeakPolarHBondContact O-CB 3.31Å; V625-L628 PolarHBondContact O-N 3.34Å; V625-T629 PolarHBondContact O-N 2.73Å; V625-T629 PolarHBondContact O-OG1 3.19Å; V625-T629 VanDerWaalsContact O-OG1 3.06Å
626	S	59.3	Low	63.3	Low	92 Å²	92	66.5 Å²	66.5	64%	0.643	37%	0.367	S	S	*	.	H	α-helix	trans	-62.1	-32.2	179	-48.3	0	0	0	0	113.3	S624 Q630	S624-S626 PolarHBondContact O-N 2.89Å; S626-Q630 WeakPolarHBondContact O-CB 3.38Å; S626-Q630 PolarHBondContact O-N 3.01Å
627	G	61.3	Low	63	Low	18 Å²	18	60.3 Å²	60.3	19%	0.186	35%	0.346	C	S	.	.	H	α-helix	trans	-70.3	-43.3	171.1	0	0	0	0	0	111.9	S624 V625 Q630 H631	S624-G627 WeakPolarHBondContact O-CA 3.4Å; S624-G627 PolarHBondContact O-N 3.47Å; S624-G627 PolarHBondContact OG-N 2.88Å; V625-G627 VanDerWaalsContact C-N 3.26Å; V625-G627 PolarHBondContact O-N 3.35Å; G627-Q630 PolarHBondContact O-N 2.75Å; G627-H631 WeakPolarHBondContact O-CB 3.41Å; G627-H631 PolarHBondContact O-N 2.92Å
628	L	68.4	Low	63	Low	25 Å²	25	59.4 Å²	59.4	13%	0.131	34%	0.342	C	S	.	.	H	α-helix	trans	-62	-49.7	176.4	-176.5	64.8	0	0	0	112.2	C615 F622 S624 V625 Q630 H631 H632	C615-L628 HydrophobicContact CB-CD1 3.6Å; F622-L628 HydrophobicContact CB-CB 4.45Å; F622-L628 HydrophobicContact CD2-CB 4.31Å; F622-L628 HydrophobicContact CD2-CD1 3.77Å; F622-L628 HydrophobicContact CE2-CD1 4.19Å; S624-L628 PolarHBondContact O-N 2.9Å; S624-L628 VanDerWaalsContact O-N 3.1Å; V625-L628 CarbonylContact O-C 3.53Å; V625-L628 WeakPolarHBondContact O-CA 3.42Å; V625-L628 WeakPolarHBondContact O-CB 3.31Å; V625-L628 PolarHBondContact O-N 3.34Å; L628-Q630 VanDerWaalsContact C-N 3.29Å; L628-Q630 PolarHBondContact O-N 3.27Å; L628-H631 CarbonylContact O-C 3.29Å; L628-H631 WeakPolarHBondContact O-CA 2.92Å; L628-H631 WeakPolarHBondContact O-CB 3.34Å; L628-H631 PolarHBondContact O-N 3.31Å; L628-H632 VanDerWaalsContact CD1-NE2 3.27Å; L628-H632 WeakPolarHBondContact CD1-NE2 3.46Å; L628-H632 PolarHBondContact O-CD2 3.5Å; L628-H632 PolarHBondContact O-N 3.21Å
629	T	63.6	Low	63.2	Low	71 Å²	71	61.9 Å²	61.9	44%	0.436	35%	0.347	S	S	.	.	H	α-helix	trans	-61.9	-36.8	176.3	-48.1	0	0	0	0	112	V625 H631	V625-T629 PolarHBondContact O-N 2.73Å; V625-T629 PolarHBondContact O-OG1 3.19Å; V625-T629 VanDerWaalsContact O-OG1 3.06Å; T629-H631 VanDerWaalsContact C-N 3.28Å; T629-H631 PolarHBondContact O-N 3.02Å
630	Q	62.1	Low	63.8	Low	90 Å²	90	63 Å²	63	42%	0.421	35%	0.347	S	S	.	.	H	α-helix	trans	-67.2	-30.7	173.4	179.9	175.9	111.4	0	0	112.3	S626 G627 L628 Q652	S626-Q630 WeakPolarHBondContact O-CB 3.38Å; S626-Q630 PolarHBondContact O-N 3.01Å; G627-Q630 PolarHBondContact O-N 2.75Å; L628-Q630 VanDerWaalsContact C-N 3.29Å; L628-Q630 PolarHBondContact O-N 3.27Å; Q630-Q652 VanDerWaalsContact CD-CD 3.41Å; Q630-Q652 HydrophobicContact CG-CG 4.23Å
631	H	69.6	Low	64.2	Low	18 Å²	18	60.5 Å²	60.5	8%	0.083	33%	0.334	C	S	.	.	H	α-helix	trans	-78.3	-37.4	176.5	178.1	63.4	0	0	0	113.1	C618 F622 G627 L628 T629 R633 I634 H635	C618-H631 PolarHBondContact SG-NE2 3.08Å; F622-H631 HydrophobicContact CE1-CB 4.01Å; F622-H631 HydrophobicContact CE2-CB 3.77Å; F622-H631 AromaticContact CE2-CD2 3.35Å; F622-H631 WeakPolarHBondContact CE2-CD2 3.37Å; F622-H631 AromaticContact CE2-CG 3.53Å; F622-H631 HydrophobicContact CZ-CB 3.46Å; F622-H631 VanDerWaalsContact CZ-CB 3.46Å; F622-H631 AromaticContact CZ-CD2 3.53Å; F622-H631 AromaticContact CZ-CG 3.23Å; F622-H631 AromaticContact CZ-ND1 3.66Å; G627-H631 WeakPolarHBondContact O-CB 3.41Å; G627-H631 PolarHBondContact O-N 2.92Å; L628-H631 CarbonylContact O-C 3.29Å; L628-H631 WeakPolarHBondContact O-CA 2.92Å; L628-H631 WeakPolarHBondContact O-CB 3.34Å; L628-H631 PolarHBondContact O-N 3.31Å; T629-H631 VanDerWaalsContact C-N 3.28Å; T629-H631 PolarHBondContact O-N 3.02Å; H631-R633 PolarHBondContact O-N 2.93Å; H631-I634 WeakPolarHBondContact O-CA 3.43Å; H631-I634 WeakPolarHBondContact O-CB 3.34Å; H631-I634 VanDerWaalsContact O-CG1 3.31Å; H631-I634 WeakPolarHBondContact O-CG1 3.32Å; H631-I634 PolarHBondContact O-N 3.21Å; H631-H635 AromaticContact CD2-NE2 4Å; H631-H635 AromaticContact CE1-NE2 3.88Å; H631-H635 AromaticContact NE2-NE2 3.34Å; H631-H635 PolarHBondContact NE2-NE2 3.28Å
632	H	66.5	Low	64.1	Low	64 Å²	64	64.6 Å²	64.6	30%	0.296	35%	0.347	S	S	.	.	H	α-helix	trans	-58.7	-32.4	176.4	-75.4	-152	0	0	0	112	C615 L628 I634 H635 T636	C615-H632 VanDerWaalsContact SG-CD2 3.58Å; C615-H632 PolarHBondContact SG-NE2 3.49Å; C615-H632 VanDerWaalsContact SG-NE2 3.44Å; L628-H632 VanDerWaalsContact CD1-NE2 3.27Å; L628-H632 WeakPolarHBondContact CD1-NE2 3.46Å; L628-H632 PolarHBondContact O-CD2 3.5Å; L628-H632 PolarHBondContact O-N 3.21Å; H632-I634 PolarHBondContact O-N 2.92Å; H632-H635 PolarHBondContact O-N 3.19Å; H632-T636 PolarHBondContact O-N 2.75Å; H632-T636 PolarHBondContact O-OG1 2.93Å
633	R	73.7	Confident	64	Low	54 Å²	54	62.2 Å²	62.2	20%	0.204	34%	0.337	C	S	.	.	H	α-helix	trans	-61.1	-10.2	170.4	-64.5	-177.2	176.5	160.8	6	114.7	H631 E638 Y641 R651	H631-R633 PolarHBondContact O-N 2.93Å; R633-E638 HydrophobicContact CB-CB 4.32Å; R633-E638 HydrophobicContact CG-CB 4.05Å; R633-E638 IonicContact NE-OE2 3.14Å; R633-E638 PolarHBondContact NE-OE2 2.91Å; R633-Y641 PolarHBondContact NH1-OH 3.38Å; R633-R651 WeakPolarHBondContact O-CD 3.14Å; R633-R651 PolarHBondContact O-NE 3.44Å; R633-R651 PolarHBondContact O-NH2 3.37Å
634	I	64.1	Low	64.2	Low	80 Å²	80	66 Å²	66	41%	0.41	36%	0.362	S	S	.	.	H	α-helix	trans	-73.9	-43.6	169.7	-58.4	-173.2	0	0	0	110.4	H631 H632 R651	H631-I634 WeakPolarHBondContact O-CA 3.43Å; H631-I634 WeakPolarHBondContact O-CB 3.34Å; H631-I634 VanDerWaalsContact O-CG1 3.31Å; H631-I634 WeakPolarHBondContact O-CG1 3.32Å; H631-I634 PolarHBondContact O-N 3.21Å; H632-I634 PolarHBondContact O-N 2.92Å; I634-R651 PolarHBondContact O-NH2 2.97Å
635	H	63.3	Low	64	Low	75 Å²	75	66.9 Å²	66.9	35%	0.347	36%	0.364	S	S	.	.	H	α-helix	trans	-78.5	-51.8	180	-53.2	-54	0	0	0	111.7	E617 C618 H631 H632 G637	E617-H635 WeakPolarHBondContact OE2-CB 3.41Å; E617-H635 IonicContact OE2-CD2 3.95Å; E617-H635 PolarHBondContact OE2-CD2 3.23Å; E617-H635 IonicContact OE2-CG 3.32Å; C618-H635 VanDerWaalsContact SG-CE1 3.59Å; C618-H635 PolarHBondContact SG-NE2 2.68Å; H631-H635 AromaticContact CD2-NE2 4Å; H631-H635 AromaticContact CE1-NE2 3.88Å; H631-H635 AromaticContact NE2-NE2 3.34Å; H631-H635 PolarHBondContact NE2-NE2 3.28Å; H632-H635 PolarHBondContact O-N 3.19Å; H635-G637 PolarHBondContact O-N 2.97Å
636	T	60.9	Low	64.5	Low	75 Å²	75	65.1 Å²	65.1	46%	0.46	36%	0.355	S	S	.	.	S	Bend	trans	-68.6	-1.1	-179.9	68.6	0	0	0	0	114.5	H632 E638	H632-T636 PolarHBondContact O-N 2.75Å; H632-T636 PolarHBondContact O-OG1 2.93Å; T636-E638 PolarHBondContact O-N 3Å; T636-E638 WeakPolarHBondContact OG1-CG 3.49Å
637	G	62.8	Low	64.5	Low	32 Å²	32	63.5 Å²	63.5	33%	0.33	35%	0.353	S	S	.	.			trans	75.6	-30.3	-179.7	0	0	0	0	0	115.1	H635 R651	H635-G637 PolarHBondContact O-N 2.97Å; G637-R651 PolarHBondContact O-NH2 3.3Å
638	E	64.2	Low	64.6	Low	96 Å²	96	64.4 Å²	64.4	45%	0.449	35%	0.352	S	S	.	.			trans	-35.7	134	-171.5	-80.7	-178.9	-157.7	0	0	116.1	R633 T636 P640 R651	R633-E638 HydrophobicContact CB-CB 4.32Å; R633-E638 HydrophobicContact CG-CB 4.05Å; R633-E638 IonicContact NE-OE2 3.14Å; R633-E638 PolarHBondContact NE-OE2 2.91Å; T636-E638 PolarHBondContact O-N 3Å; T636-E638 WeakPolarHBondContact OG1-CG 3.49Å; E638-P640 HydrophobicContact CB-CG 4.29Å; E638-R651 WeakPolarHBondContact O-CG 3.33Å
639	K	69.8	Low	64.5	Low	104 Å²	104	64.8 Å²	64.8	45%	0.452	36%	0.358	S	S	.	.			trans	-133	66	176.7	-66.6	163.2	-165.5	159.9	0	111.8	Y641 A649 F650 R651	K639-Y641 PolarHBondContact O-N 2.96Å; K639-A649 HydrophobicContact CB-CB 3.48Å; K639-A649 VanDerWaalsContact CB-CB 3.48Å; K639-A649 HydrophobicContact CD-CB 4.01Å; K639-A649 HydrophobicContact CG-CB 4.36Å; K639-F650 CarbonylContact C-O 3.08Å; K639-F650 WeakPolarHBondContact CA-O 3.36Å; K639-R651 HydrophobicContact CG-CG 3.98Å
640	P	70.5	Confident	64.9	Low	66 Å²	66	63.6 Å²	63.6	43%	0.429	35%	0.347	S	S	.	.			trans	-71.3	10.8	-164	-19.6	35.2	0	0	0	116.8	E638	E638-P640 HydrophobicContact CB-CG 4.29Å
641	Y	71.1	Confident	65	Low	75 Å²	75	61.9 Å²	61.9	29%	0.294	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	90.2	-176.4	-53.3	-70	0	0	0	110	R633 K639 F650 Q652 R653	R633-Y641 PolarHBondContact NH1-OH 3.38Å; K639-Y641 PolarHBondContact O-N 2.96Å; Y641-F650 WeakPolarHBondContact CD2-O 3.48Å; Y641-F650 PolarHBondContact N-O 3.16Å; Y641-F650 PolarHBondContact O-N 3.34Å; Y641-Q652 VanDerWaalsContact CD2-CA 3.49Å; Y641-R653 HydrophobicContact CD1-CB 3.91Å; Y641-R653 HydrophobicContact CD1-CG 4.36Å; Y641-R653 HydrophobicContact CD2-CB 4.38Å; Y641-R653 HydrophobicContact CE1-CB 4.03Å; Y641-R653 HydrophobicContact CE2-CB 4.46Å; Y641-R653 HydrophobicContact CG-CB 4.09Å
642	E	58.8	Low	64.6	Low	126 Å²	126	62.8 Å²	62.8	59%	0.589	34%	0.341	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.9	151.1	179.7	-51.8	-153.6	141.1	0	0	112.5	P644 K648 A649 L656	E642-P644 WeakPolarHBondContact O-CD 3.27Å; E642-K648 CarbonylContact C-O 3.52Å; E642-K648 WeakPolarHBondContact CA-O 3.35Å; E642-A649 HydrophobicContact CG-CB 3.89Å; E642-A649 WeakPolarHBondContact OE1-CB 3.39Å; E642-L656 WeakPolarHBondContact O-CD2 3.19Å
643	C	66.4	Low	64.3	Low	1 Å²	1	67.8 Å²	67.8	1%	0.007	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	109.7	177.9	-161.6	0	0	0	0	109.8	D645 C646 G647 K648 L656 H659	C643-D645 PolarHBondContact O-N 2.95Å; C643-D645 VanDerWaalsContact O-N 3.11Å; C643-D645 PolarHBondContact SG-OD2 3.36Å; C643-C646 PolarHBondContact O-N 2.83Å; C643-C646 VanDerWaalsContact O-N 3.15Å; C643-G647 PolarHBondContact O-N 3.31Å; C643-K648 HydrophobicContact CB-CB 4.37Å; C643-K648 PolarHBondContact N-O 2.84Å; C643-L656 HydrophobicContact CB-CD1 3.55Å; C643-H659 VanDerWaalsContact SG-CD2 3.59Å; C643-H659 PolarHBondContact SG-NE2 3.21Å; C643-H659 VanDerWaalsContact SG-NE2 3.43Å
644	P	61.3	Low	63.7	Low	115 Å²	115	69.2 Å²	69.2	75%	0.747	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.4	-35.6	-179.3	-24.8	34.5	0	0	0	112.2	E642 C646	E642-P644 WeakPolarHBondContact O-CD 3.27Å; P644-C646 VanDerWaalsContact C-N 3.27Å; P644-C646 PolarHBondContact O-N 3.49Å
645	D	53.4	Low	63.7	Low	53 Å²	53	70.7 Å²	70.7	28%	0.283	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-16.9	-173.9	-30.3	-84.4	0	0	0	113.9	C643 R660 H663	C643-D645 PolarHBondContact O-N 2.95Å; C643-D645 VanDerWaalsContact O-N 3.11Å; C643-D645 PolarHBondContact SG-OD2 3.36Å; D645-R660 IonicContact OD1-CZ 3.18Å; D645-R660 IonicContact OD1-NE 2.57Å; D645-R660 IonicContact OD1-NH2 3.48Å; D645-R660 PolarHBondContact OD1-NH2 3.36Å; D645-R660 IonicContact OD2-CZ 3.15Å; D645-R660 IonicContact OD2-NE 2.77Å; D645-R660 PolarHBondContact OD2-NE 3.19Å; D645-R660 IonicContact OD2-NH2 3.63Å; D645-R660 PolarHBondContact OD2-NH2 2.94Å; D645-H663 HydrophobicContact CB-CB 4.39Å; D645-H663 IonicContact OD2-CD2 3.37Å
646	C	64.2	Low	63.9	Low	38 Å²	38	68 Å²	68	26%	0.257	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-159.8	19.5	178.6	73.3	0	0	0	0	117.7	C643 P644 K648 H659 H663	C643-C646 PolarHBondContact O-N 2.83Å; C643-C646 VanDerWaalsContact O-N 3.15Å; P644-C646 VanDerWaalsContact C-N 3.27Å; P644-C646 PolarHBondContact O-N 3.49Å; C646-K648 PolarHBondContact O-N 3.43Å; C646-K648 VanDerWaalsContact O-N 3.15Å; C646-H659 VanDerWaalsContact SG-CE1 3.52Å; C646-H659 PolarHBondContact SG-NE2 2.84Å; C646-H663 WeakPolarHBondContact CB-NE2 3.26Å; C646-H663 PolarHBondContact SG-NE2 3.13Å
647	G	58.2	Low	63.8	Low	58 Å²	58	68.6 Å²	68.6	60%	0.598	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.8	14.6	173.8	0	0	0	0	0	116.2	C643	C643-G647 PolarHBondContact O-N 3.31Å
648	K	64.1	Low	63.6	Low	37 Å²	37	71.1 Å²	71.1	16%	0.161	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	118	-177.7	-74.9	177.4	177.7	-89.6	0	111.9	E642 C643 C646 F650 Y781	E642-K648 CarbonylContact C-O 3.52Å; E642-K648 WeakPolarHBondContact CA-O 3.35Å; C643-K648 HydrophobicContact CB-CB 4.37Å; C643-K648 PolarHBondContact N-O 2.84Å; C646-K648 PolarHBondContact O-N 3.43Å; C646-K648 VanDerWaalsContact O-N 3.15Å; K648-F650 HydrophobicContact CB-CE2 3.54Å; K648-F650 HydrophobicContact CB-CZ 4.12Å; K648-F650 WeakPolarHBondContact O-CD2 3.41Å; K648-F650 WeakPolarHBondContact O-CE2 3.29Å; K648-Y781 PolarHBondContact NZ-OH 2.85Å
649	A	66.1	Low	63.7	Low	33 Å²	33	66.8 Å²	66.8	27%	0.273	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	135.7	176.1	0	0	0	0	0	113.3	K639 E642	K639-A649 HydrophobicContact CB-CB 3.48Å; K639-A649 VanDerWaalsContact CB-CB 3.48Å; K639-A649 HydrophobicContact CD-CB 4.01Å; K639-A649 HydrophobicContact CG-CB 4.36Å; E642-A649 HydrophobicContact CG-CB 3.89Å; E642-A649 WeakPolarHBondContact OE1-CB 3.39Å
650	F	72.9	Confident	63.2	Low	45 Å²	45	66.5 Å²	66.5	20%	0.197	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	146.9	179.2	-66.4	-98	0	0	0	112.8	K639 Y641 K648 Q652 L656 H659	K639-F650 CarbonylContact C-O 3.08Å; K639-F650 WeakPolarHBondContact CA-O 3.36Å; Y641-F650 WeakPolarHBondContact CD2-O 3.48Å; Y641-F650 PolarHBondContact N-O 3.16Å; Y641-F650 PolarHBondContact O-N 3.34Å; K648-F650 HydrophobicContact CB-CE2 3.54Å; K648-F650 HydrophobicContact CB-CZ 4.12Å; K648-F650 WeakPolarHBondContact O-CD2 3.41Å; K648-F650 WeakPolarHBondContact O-CE2 3.29Å; F650-Q652 VanDerWaalsContact C-N 3.26Å; F650-Q652 PolarHBondContact O-N 3.05Å; F650-L656 HydrophobicContact CB-CB 4.45Å; F650-L656 HydrophobicContact CD2-CB 4.36Å; F650-L656 HydrophobicContact CD2-CD1 4.31Å; F650-L656 HydrophobicContact CG-CB 4.5Å; F650-H659 HydrophobicContact CE1-CB 4.33Å; F650-H659 HydrophobicContact CE2-CB 4.31Å; F650-H659 AromaticContact CE2-CD2 3.07Å; F650-H659 WeakPolarHBondContact CE2-CD2 3.44Å; F650-H659 AromaticContact CE2-CG 3.95Å; F650-H659 AromaticContact CE2-NE2 3.8Å; F650-H659 HydrophobicContact CZ-CB 3.9Å; F650-H659 AromaticContact CZ-CD2 3.22Å; F650-H659 WeakPolarHBondContact CZ-CD2 3.49Å; F650-H659 AromaticContact CZ-CG 3.67Å; F650-H659 AromaticContact CZ-NE2 3.95Å
651	R	62.6	Low	63	Low	54 Å²	54	66.4 Å²	66.4	20%	0.204	33%	0.332	C	S	.	.	S	Bend	trans	-69.6	-19.8	176.5	-57.2	-166.7	155.3	160.4	-17.2	113.8	R633 I634 G637 E638 K639	R633-R651 WeakPolarHBondContact O-CD 3.14Å; R633-R651 PolarHBondContact O-NE 3.44Å; R633-R651 PolarHBondContact O-NH2 3.37Å; I634-R651 PolarHBondContact O-NH2 2.97Å; G637-R651 PolarHBondContact O-NH2 3.3Å; E638-R651 WeakPolarHBondContact O-CG 3.33Å; K639-R651 HydrophobicContact CG-CG 3.98Å
652	Q	62.2	Low	62.4	Low	37 Å²	37	66 Å²	66	17%	0.173	33%	0.334	C	S	.	.	S	Bend	trans	-141.6	140.9	-177.4	-49.1	-176.1	17.5	0	0	112.2	Q630 Y641 F650 T654 Y655 L656	Q630-Q652 VanDerWaalsContact CD-CD 3.41Å; Q630-Q652 HydrophobicContact CG-CG 4.23Å; Y641-Q652 VanDerWaalsContact CD2-CA 3.49Å; F650-Q652 VanDerWaalsContact C-N 3.26Å; F650-Q652 PolarHBondContact O-N 3.05Å; Q652-T654 VanDerWaalsContact CB-OG1 3.26Å; Q652-T654 WeakPolarHBondContact CB-OG1 3.36Å; Q652-T654 PolarHBondContact O-N 3.14Å; Q652-T654 PolarHBondContact OE1-OG1 3.42Å; Q652-T654 VanDerWaalsContact OE1-OG1 3.06Å; Q652-Y655 HydrophobicContact CB-CD2 3.75Å; Q652-Y655 HydrophobicContact CB-CE2 4.16Å; Q652-Y655 HydrophobicContact CG-CD2 3.9Å; Q652-Y655 HydrophobicContact CG-CE2 3.85Å; Q652-Y655 PolarHBondContact O-N 3.22Å; Q652-L656 PolarHBondContact O-N 2.94Å
653	R	58.9	Low	62	Low	169 Å²	169	63.1 Å²	63.1	64%	0.638	32%	0.32	S	S	*	.	H	α-helix	trans	-63.5	-26.5	176.6	-168.2	175.7	-177.2	177.3	2.9	113.2	Y641 L656 N657	Y641-R653 HydrophobicContact CD1-CB 3.91Å; Y641-R653 HydrophobicContact CD1-CG 4.36Å; Y641-R653 HydrophobicContact CD2-CB 4.38Å; Y641-R653 HydrophobicContact CE1-CB 4.03Å; Y641-R653 HydrophobicContact CE2-CB 4.46Å; Y641-R653 HydrophobicContact CG-CB 4.09Å; R653-L656 PolarHBondContact O-N 2.92Å; R653-N657 WeakPolarHBondContact O-CB 3.45Å; R653-N657 VanDerWaalsContact O-CG 3.25Å; R653-N657 PolarHBondContact O-N 3.01Å; R653-N657 PolarHBondContact O-OD1 3.42Å
654	T	61.4	Low	61.3	Low	84 Å²	84	66.3 Å²	66.3	52%	0.515	34%	0.34	S	S	.	.	H	α-helix	trans	-57.9	-50	171.5	41.2	0	0	0	0	111.8	Q652 N657 Q658	Q652-T654 VanDerWaalsContact CB-OG1 3.26Å; Q652-T654 WeakPolarHBondContact CB-OG1 3.36Å; Q652-T654 PolarHBondContact O-N 3.14Å; Q652-T654 PolarHBondContact OE1-OG1 3.42Å; Q652-T654 VanDerWaalsContact OE1-OG1 3.06Å; T654-N657 PolarHBondContact O-N 3.28Å; T654-Q658 WeakPolarHBondContact O-CB 3.49Å; T654-Q658 PolarHBondContact O-N 3.06Å
655	Y	64.8	Low	61	Low	111 Å²	111	63.1 Å²	63.1	44%	0.435	33%	0.328	S	S	.	.	H	α-helix	trans	-70	-33.2	178	-59	-48	0	0	0	112.7	Q652 H659	Q652-Y655 HydrophobicContact CB-CD2 3.75Å; Q652-Y655 HydrophobicContact CB-CE2 4.16Å; Q652-Y655 HydrophobicContact CG-CD2 3.9Å; Q652-Y655 HydrophobicContact CG-CE2 3.85Å; Q652-Y655 PolarHBondContact O-N 3.22Å; Y655-H659 WeakPolarHBondContact O-CB 3.41Å; Y655-H659 PolarHBondContact O-N 3.1Å
656	L	67.5	Low	61	Low	18 Å²	18	65 Å²	65	9%	0.094	34%	0.335	C	S	.	.	H	α-helix	trans	-61.9	-49.2	169.8	173.7	59.6	0	0	0	111.3	E642 C643 F650 Q652 R653 Q658 H659 R660	E642-L656 WeakPolarHBondContact O-CD2 3.19Å; C643-L656 HydrophobicContact CB-CD1 3.55Å; F650-L656 HydrophobicContact CB-CB 4.45Å; F650-L656 HydrophobicContact CD2-CB 4.36Å; F650-L656 HydrophobicContact CD2-CD1 4.31Å; F650-L656 HydrophobicContact CG-CB 4.5Å; Q652-L656 PolarHBondContact O-N 2.94Å; R653-L656 PolarHBondContact O-N 2.92Å; L656-Q658 PolarHBondContact O-N 3.34Å; L656-H659 CarbonylContact O-C 3.15Å; L656-H659 WeakPolarHBondContact O-CA 3.41Å; L656-H659 WeakPolarHBondContact O-CB 3.45Å; L656-H659 PolarHBondContact O-N 2.89Å; L656-R660 HydrophobicContact CD1-CG 4.13Å; L656-R660 PolarHBondContact O-N 2.81Å
657	N	59.7	Low	60.7	Low	88 Å²	88	67.6 Å²	67.6	47%	0.471	34%	0.342	S	S	.	.	H	α-helix	trans	-62.7	-42	178.6	-70.6	3	0	0	0	111.6	R653 T654 H659 R660	R653-N657 WeakPolarHBondContact O-CB 3.45Å; R653-N657 VanDerWaalsContact O-CG 3.25Å; R653-N657 PolarHBondContact O-N 3.01Å; R653-N657 PolarHBondContact O-OD1 3.42Å; T654-N657 PolarHBondContact O-N 3.28Å; N657-H659 PolarHBondContact O-N 3.29Å; N657-R660 PolarHBondContact O-N 2.99Å
658	Q	57.3	Low	60.5	Low	86 Å²	86	68 Å²	68	40%	0.402	34%	0.335	S	S	.	.	H	α-helix	trans	-60.9	-35.2	173.2	-169.6	-175.1	11.2	0	0	111.8	T654 L656 F680	T654-Q658 WeakPolarHBondContact O-CB 3.49Å; T654-Q658 PolarHBondContact O-N 3.06Å; L656-Q658 PolarHBondContact O-N 3.34Å; Q658-F680 HydrophobicContact CG-CD1 4.15Å; Q658-F680 HydrophobicContact CG-CE1 3.51Å; Q658-F680 HydrophobicContact CG-CZ 4.33Å
659	H	66.4	Low	60.3	Low	5 Å²	5	69.7 Å²	69.7	2%	0.023	34%	0.34	C	S	.	.	H	α-helix	trans	-72.6	-39.2	176.3	168	22.4	0	0	0	113.2	C643 C646 F650 Y655 L656 N657 R661 I662 H663 R793	C643-H659 VanDerWaalsContact SG-CD2 3.59Å; C643-H659 PolarHBondContact SG-NE2 3.21Å; C643-H659 VanDerWaalsContact SG-NE2 3.43Å; C646-H659 VanDerWaalsContact SG-CE1 3.52Å; C646-H659 PolarHBondContact SG-NE2 2.84Å; F650-H659 HydrophobicContact CE1-CB 4.33Å; F650-H659 HydrophobicContact CE2-CB 4.31Å; F650-H659 AromaticContact CE2-CD2 3.07Å; F650-H659 WeakPolarHBondContact CE2-CD2 3.44Å; F650-H659 AromaticContact CE2-CG 3.95Å; F650-H659 AromaticContact CE2-NE2 3.8Å; F650-H659 HydrophobicContact CZ-CB 3.9Å; F650-H659 AromaticContact CZ-CD2 3.22Å; F650-H659 WeakPolarHBondContact CZ-CD2 3.49Å; F650-H659 AromaticContact CZ-CG 3.67Å; F650-H659 AromaticContact CZ-NE2 3.95Å; Y655-H659 WeakPolarHBondContact O-CB 3.41Å; Y655-H659 PolarHBondContact O-N 3.1Å; L656-H659 CarbonylContact O-C 3.15Å; L656-H659 WeakPolarHBondContact O-CA 3.41Å; L656-H659 WeakPolarHBondContact O-CB 3.45Å; L656-H659 PolarHBondContact O-N 2.89Å; N657-H659 PolarHBondContact O-N 3.29Å; H659-R661 PolarHBondContact O-N 2.88Å; H659-I662 VanDerWaalsContact O-CB 3.24Å; H659-I662 WeakPolarHBondContact O-CB 3.35Å; H659-I662 WeakPolarHBondContact O-CG1 3.24Å; H659-I662 PolarHBondContact O-N 3.02Å; H659-H663 AromaticContact CE1-CD2 3.77Å; H659-R793 PolarHBondContact CE1-NH1 2.99Å; H659-R793 PolarHBondContact CE1-NH2 3.22Å; H659-R793 PolarHBondContact ND1-NH1 2.89Å; H659-R793 PolarHBondContact ND1-NH2 3.07Å
660	R	60.2	Low	59.2	Low	98 Å²	98	73.8 Å²	73.8	37%	0.37	35%	0.354	S	S	.	.	H	α-helix	trans	-61.5	-27.8	-179	-69.2	-160.3	79.4	-135.6	4.8	113	D645 L656 N657 I662 H663 T664	D645-R660 IonicContact OD1-CZ 3.18Å; D645-R660 IonicContact OD1-NE 2.57Å; D645-R660 IonicContact OD1-NH2 3.48Å; D645-R660 PolarHBondContact OD1-NH2 3.36Å; D645-R660 IonicContact OD2-CZ 3.15Å; D645-R660 IonicContact OD2-NE 2.77Å; D645-R660 PolarHBondContact OD2-NE 3.19Å; D645-R660 IonicContact OD2-NH2 3.63Å; D645-R660 PolarHBondContact OD2-NH2 2.94Å; L656-R660 HydrophobicContact CD1-CG 4.13Å; L656-R660 PolarHBondContact O-N 2.81Å; N657-R660 PolarHBondContact O-N 2.99Å; R660-I662 PolarHBondContact O-N 2.97Å; R660-I662 VanDerWaalsContact O-N 3.1Å; R660-H663 WeakPolarHBondContact O-CA 3.42Å; R660-H663 WeakPolarHBondContact O-CB 3.46Å; R660-H663 PolarHBondContact O-N 3.48Å; R660-T664 PolarHBondContact O-N 2.72Å; R660-T664 PolarHBondContact O-OG1 3.36Å
661	R	66.1	Low	58.4	Low	63 Å²	63	71.7 Å²	71.7	24%	0.238	34%	0.344	C	S	.	.	H	α-helix	trans	-59.8	-17.6	169.5	-62.5	-176.8	177.6	176.7	-0.2	114.6	H659 H663 G665 E666 Y669 T679	H659-R661 PolarHBondContact O-N 2.88Å; R661-H663 VanDerWaalsContact C-N 3.29Å; R661-G665 WeakPolarHBondContact O-CA 3.46Å; R661-G665 PolarHBondContact O-N 3.17Å; R661-G665 VanDerWaalsContact O-N 3.11Å; R661-E666 HydrophobicContact CG-CB 4.27Å; R661-Y669 VanDerWaalsContact NH1-CE2 3.3Å; R661-T679 PolarHBondContact NH1-O 2.8Å
662	I	57.7	Low	58	Low	67 Å²	67	79 Å²	79	34%	0.344	38%	0.378	S	S	.	.	H	α-helix	trans	-83.8	-8.3	173.8	-46.6	168.4	0	0	0	111.3	H659 R660	H659-I662 VanDerWaalsContact O-CB 3.24Å; H659-I662 WeakPolarHBondContact O-CB 3.35Å; H659-I662 WeakPolarHBondContact O-CG1 3.24Å; H659-I662 PolarHBondContact O-N 3.02Å; R660-I662 PolarHBondContact O-N 2.97Å; R660-I662 VanDerWaalsContact O-N 3.1Å
663	H	51.1	Low	57.3	Low	65 Å²	65	82.4 Å²	82.4	30%	0.301	39%	0.394	S	S	.	.	H	α-helix	trans	-103.6	-45.1	171.8	-60.7	-60.7	0	0	0	111.8	D645 C646 H659 R660 R661	D645-H663 HydrophobicContact CB-CB 4.39Å; D645-H663 IonicContact OD2-CD2 3.37Å; C646-H663 WeakPolarHBondContact CB-NE2 3.26Å; C646-H663 PolarHBondContact SG-NE2 3.13Å; H659-H663 AromaticContact CE1-CD2 3.77Å; R660-H663 WeakPolarHBondContact O-CA 3.42Å; R660-H663 WeakPolarHBondContact O-CB 3.46Å; R660-H663 PolarHBondContact O-N 3.48Å; R661-H663 VanDerWaalsContact C-N 3.29Å
664	T	51.9	Low	57.3	Low	68 Å²	68	76.6 Å²	76.6	42%	0.417	38%	0.378	S	S	.	.	H	α-helix	trans	-81.6	-13.3	-179.4	58.1	0	0	0	0	114.1	R660 E666	R660-T664 PolarHBondContact O-N 2.72Å; R660-T664 PolarHBondContact O-OG1 3.36Å; T664-E666 WeakPolarHBondContact CB-OE1 3.19Å; T664-E666 WeakPolarHBondContact CG2-OE1 3.32Å; T664-E666 PolarHBondContact O-N 2.88Å; T664-E666 VanDerWaalsContact O-N 3.12Å; T664-E666 WeakPolarHBondContact OG1-CG 3.49Å; T664-E666 PolarHBondContact OG1-OE1 3.03Å
665	G	54.7	Low	56.8	Low	48 Å²	48	74.6 Å²	74.6	50%	0.495	38%	0.375	S	S	.	.			trans	73.1	-4.3	-179.4	0	0	0	0	0	115	R661 K667	R661-G665 WeakPolarHBondContact O-CA 3.46Å; R661-G665 PolarHBondContact O-N 3.17Å; R661-G665 VanDerWaalsContact O-N 3.11Å; G665-K667 PolarHBondContact O-N 3.49Å
666	E	52.4	Low	56.1	Low	92 Å²	92	74.7 Å²	74.7	43%	0.43	38%	0.378	S	S	.	.			trans	-47.2	129.5	-178.2	-77	163.8	-124.7	0	0	113.6	R661 T664 P668	R661-E666 HydrophobicContact CG-CB 4.27Å; T664-E666 WeakPolarHBondContact CB-OE1 3.19Å; T664-E666 WeakPolarHBondContact CG2-OE1 3.32Å; T664-E666 PolarHBondContact O-N 2.88Å; T664-E666 VanDerWaalsContact O-N 3.12Å; T664-E666 WeakPolarHBondContact OG1-CG 3.49Å; T664-E666 PolarHBondContact OG1-OE1 3.03Å; E666-P668 HydrophobicContact CB-CG 4.19Å; E666-P668 WeakPolarHBondContact O-CD 3.33Å
667	K	57.9	Low	55.3	Low	93 Å²	93	75.5 Å²	75.5	40%	0.404	39%	0.385	S	S	.	.			trans	-123.1	69.5	175.7	-74.2	144.4	128	-96	0	110.7	G665 Y669 S677 F678 T679	G665-K667 PolarHBondContact O-N 3.49Å; K667-Y669 PolarHBondContact O-N 3.36Å; K667-S677 PolarHBondContact NZ-O 2.79Å; K667-F678 CarbonylContact C-O 3.56Å; K667-F678 VanDerWaalsContact CA-O 3.23Å; K667-F678 WeakPolarHBondContact CA-O 3.42Å; K667-T679 HydrophobicContact CG-CG2 3.95Å
668	P	54.2	Low	55.4	Low	68 Å²	68	74.1 Å²	74.1	44%	0.442	37%	0.374	S	S	.	.			trans	-74.8	7.6	-165.3	-17.2	34.2	0	0	0	115.7	E666	E666-P668 HydrophobicContact CB-CG 4.19Å; E666-P668 WeakPolarHBondContact O-CD 3.33Å
669	Y	60.6	Low	54.9	Low	72 Å²	72	72.3 Å²	72.3	28%	0.282	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	91.2	-176.9	-55	-70	0	0	0	109	R661 K667 S677 F678 C681	R661-Y669 VanDerWaalsContact NH1-CE2 3.3Å; K667-Y669 PolarHBondContact O-N 3.36Å; Y669-S677 CarbonylContact O-C 3.55Å; Y669-S677 WeakPolarHBondContact O-CA 3.45Å; Y669-F678 WeakPolarHBondContact CD2-O 3.46Å; Y669-F678 PolarHBondContact N-O 2.93Å; Y669-F678 PolarHBondContact O-N 3.19Å; Y669-C681 HydrophobicContact CD1-CB 3.99Å; Y669-C681 HydrophobicContact CD2-CB 4.38Å; Y669-C681 VanDerWaalsContact CD2-N 3.26Å; Y669-C681 HydrophobicContact CE1-CB 3.77Å; Y669-C681 HydrophobicContact CE2-CB 4.15Å; Y669-C681 HydrophobicContact CG-CB 4.29Å
670	E	42.3	Very low	54.6	Low	119 Å²	119	75.8 Å²	75.8	56%	0.556	39%	0.385	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.3	138.2	-178.2	-167.2	168.1	146	0	0	112.7	K672	E670-K672 PolarHBondContact O-N 3.38Å
671	C	57.5	Low	53.8	Low	0 Å²	0	73.8 Å²	73.8	0%	0	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	105	176.5	-156.7	0	0	0	0	110.2	E673 C674 G675 K676 L684 H687 Q688 H691	C671-E673 PolarHBondContact O-N 3.35Å; C671-E673 VanDerWaalsContact O-N 3.12Å; C671-E673 PolarHBondContact SG-OE2 2.94Å; C671-E673 VanDerWaalsContact SG-OE2 3.42Å; C671-C674 PolarHBondContact O-N 2.84Å; C671-C674 VanDerWaalsContact O-N 3.09Å; C671-G675 PolarHBondContact O-N 3.1Å; C671-K676 WeakPolarHBondContact CB-O 3.42Å; C671-K676 PolarHBondContact N-O 3.15Å; C671-L684 HydrophobicContact CB-CD1 3.58Å; C671-H687 PolarHBondContact SG-CD2 3.35Å; C671-Q688 VanDerWaalsContact SG-CG 3.56Å; C671-H691 PolarHBondContact SG-CD2 3.32Å; C671-H691 PolarHBondContact SG-NE2 3.03Å
672	K	52.9	Low	53	Low	207 Å²	207	74.9 Å²	74.9	90%	0.9	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.4	-30.3	-178.8	-67.9	-168.8	173.3	-168.1	0	113.5	E670	E670-K672 PolarHBondContact O-N 3.38Å
673	E	48.7	Very low	52.7	Low	109 Å²	109	72.6 Å²	72.6	51%	0.509	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.9	-18.9	-179.3	-62.6	130	139.1	0	0	114.4	C671 Q688 H691	C671-E673 PolarHBondContact O-N 3.35Å; C671-E673 VanDerWaalsContact O-N 3.12Å; C671-E673 PolarHBondContact SG-OE2 2.94Å; C671-E673 VanDerWaalsContact SG-OE2 3.42Å; E673-Q688 PolarHBondContact OE2-NE2 2.85Å; E673-H691 IonicContact OE2-CD2 3.81Å; E673-H691 PolarHBondContact OE2-CD2 2.96Å
674	C	58.9	Low	52.7	Low	47 Å²	47	70.3 Å²	70.3	32%	0.318	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	-154.5	20	-179.8	85.2	0	0	0	0	116.6	C671 K676 H687 H691	C671-C674 PolarHBondContact O-N 2.84Å; C671-C674 VanDerWaalsContact O-N 3.09Å; C674-K676 PolarHBondContact O-N 3.38Å; C674-K676 VanDerWaalsContact SG-CD 3.53Å; C674-K676 VanDerWaalsContact SG-CG 3.57Å; C674-K676 PolarHBondContact SG-NZ 3.28Å; C674-H687 PolarHBondContact SG-NE2 3.33Å; C674-H691 PolarHBondContact SG-CE1 3.07Å; C674-H691 PolarHBondContact SG-NE2 3.24Å
675	G	49.8	Very low	52.8	Low	43 Å²	43	71.3 Å²	71.3	44%	0.443	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	63.8	7.3	176	0	0	0	0	0	116.2	C671 S677	C671-G675 PolarHBondContact O-N 3.1Å; G675-S677 PolarHBondContact O-N 3.11Å
676	K	50.5	Low	52.6	Low	113 Å²	113	75.5 Å²	75.5	49%	0.491	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	116.6	-177.6	-71.4	177.2	-164.2	122.3	0	109.9	C671 C674 F678	C671-K676 WeakPolarHBondContact CB-O 3.42Å; C671-K676 PolarHBondContact N-O 3.15Å; C674-K676 PolarHBondContact O-N 3.38Å; C674-K676 VanDerWaalsContact SG-CD 3.53Å; C674-K676 VanDerWaalsContact SG-CG 3.57Å; C674-K676 PolarHBondContact SG-NZ 3.28Å; K676-F678 HydrophobicContact CB-CE2 3.72Å; K676-F678 HydrophobicContact CB-CZ 4.14Å; K676-F678 VanDerWaalsContact O-CD2 3.28Å; K676-F678 WeakPolarHBondContact O-CD2 3.49Å; K676-F678 WeakPolarHBondContact O-CE2 3.23Å
677	S	50.7	Low	52.9	Low	35 Å²	35	72.3 Å²	72.3	25%	0.245	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	136.6	-177.7	48.9	0	0	0	0	113.5	K667 Y669 G675	K667-S677 PolarHBondContact NZ-O 2.79Å; Y669-S677 CarbonylContact O-C 3.55Å; Y669-S677 WeakPolarHBondContact O-CA 3.45Å; G675-S677 PolarHBondContact O-N 3.11Å
678	F	60.8	Low	52.6	Low	58 Å²	58	71.2 Å²	71.2	25%	0.254	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	150.8	-170.6	-64.6	-97.7	0	0	0	112.3	K667 Y669 K676 F680 L684 H687	K667-F678 CarbonylContact C-O 3.56Å; K667-F678 VanDerWaalsContact CA-O 3.23Å; K667-F678 WeakPolarHBondContact CA-O 3.42Å; Y669-F678 WeakPolarHBondContact CD2-O 3.46Å; Y669-F678 PolarHBondContact N-O 2.93Å; Y669-F678 PolarHBondContact O-N 3.19Å; K676-F678 HydrophobicContact CB-CE2 3.72Å; K676-F678 HydrophobicContact CB-CZ 4.14Å; K676-F678 VanDerWaalsContact O-CD2 3.28Å; K676-F678 WeakPolarHBondContact O-CD2 3.49Å; K676-F678 WeakPolarHBondContact O-CE2 3.23Å; F678-F680 VanDerWaalsContact C-N 3.35Å; F678-L684 HydrophobicContact CB-CB 4.46Å; F678-L684 HydrophobicContact CD2-CB 4.34Å; F678-L684 HydrophobicContact CD2-CD1 4.17Å; F678-H687 HydrophobicContact CE1-CB 4.1Å; F678-H687 HydrophobicContact CE2-CB 3.82Å; F678-H687 AromaticContact CE2-CD2 3.22Å; F678-H687 WeakPolarHBondContact CE2-CD2 3.42Å; F678-H687 AromaticContact CE2-CG 3.64Å; F678-H687 HydrophobicContact CZ-CB 3.52Å; F678-H687 AromaticContact CZ-CD2 3.42Å; F678-H687 VanDerWaalsContact CZ-CD2 3.42Å; F678-H687 WeakPolarHBondContact CZ-CD2 3.41Å; F678-H687 AromaticContact CZ-CG 3.38Å
679	T	47.8	Very low	52.7	Low	48 Å²	48	71.8 Å²	71.8	29%	0.294	37%	0.372	S	S	.	.	S	Bend	trans	-75.7	-22.3	178.7	53.5	0	0	0	0	113.4	R661 K667	R661-T679 PolarHBondContact NH1-O 2.8Å; K667-T679 HydrophobicContact CG-CG2 3.95Å
680	F	60.8	Low	52.4	Low	78 Å²	78	73.5 Å²	73.5	34%	0.342	39%	0.386	S	S	.	.	S	Bend	trans	-133.2	139	-174.1	-46.4	-49.6	0	0	0	111.5	Q658 F678 S682 G683 L684	Q658-F680 HydrophobicContact CG-CD1 4.15Å; Q658-F680 HydrophobicContact CG-CE1 3.51Å; Q658-F680 HydrophobicContact CG-CZ 4.33Å; F678-F680 VanDerWaalsContact C-N 3.35Å; F680-S682 VanDerWaalsContact C-N 3.32Å; F680-S682 PolarHBondContact O-N 2.94Å; F680-G683 WeakPolarHBondContact O-CA 3.31Å; F680-G683 PolarHBondContact O-N 2.99Å; F680-L684 PolarHBondContact O-N 2.93Å
681	C	43.6	Very low	53	Low	56 Å²	56	71 Å²	71	38%	0.378	37%	0.374	S	S	.	.	H	α-helix	trans	-61.1	-38.2	180	-176.7	0	0	0	0	112.3	Y669 G683 L684 I685	Y669-C681 HydrophobicContact CD1-CB 3.99Å; Y669-C681 HydrophobicContact CD2-CB 4.38Å; Y669-C681 VanDerWaalsContact CD2-N 3.26Å; Y669-C681 HydrophobicContact CE1-CB 3.77Å; Y669-C681 HydrophobicContact CE2-CB 4.15Å; Y669-C681 HydrophobicContact CG-CB 4.29Å; C681-G683 PolarHBondContact O-N 3.38Å; C681-L684 PolarHBondContact O-N 3.2Å; C681-L684 VanDerWaalsContact O-N 3.09Å; C681-I685 WeakPolarHBondContact O-CG1 3.42Å; C681-I685 PolarHBondContact O-N 2.8Å
682	S	48.4	Very low	52.5	Low	86 Å²	86	74.6 Å²	74.6	60%	0.601	40%	0.396	S	S	*	.	H	α-helix	trans	-60.9	-30.8	173.2	50.1	0	0	0	0	113.4	F680 Q686	F680-S682 VanDerWaalsContact C-N 3.32Å; F680-S682 PolarHBondContact O-N 2.94Å; S682-Q686 WeakPolarHBondContact O-CB 3.22Å; S682-Q686 PolarHBondContact O-N 2.97Å
683	G	51.7	Low	52.2	Low	19 Å²	19	70.8 Å²	70.8	20%	0.196	39%	0.386	C	S	.	.	H	α-helix	trans	-74.8	-30.9	174.2	0	0	0	0	0	113.1	F680 C681 H687	F680-G683 WeakPolarHBondContact O-CA 3.31Å; F680-G683 PolarHBondContact O-N 2.99Å; C681-G683 PolarHBondContact O-N 3.38Å; G683-H687 VanDerWaalsContact O-CB 3.25Å; G683-H687 WeakPolarHBondContact O-CB 3.48Å; G683-H687 PolarHBondContact O-N 2.87Å; G683-H687 VanDerWaalsContact O-N 3.15Å
684	L	51.7	Low	52.1	Low	18 Å²	18	73.2 Å²	73.2	9%	0.094	40%	0.397	C	S	.	.	H	α-helix	trans	-71.4	-47.2	170.4	175	62.7	0	0	0	111.1	C671 F678 F680 C681 Q686 H687 Q688	C671-L684 HydrophobicContact CB-CD1 3.58Å; F678-L684 HydrophobicContact CB-CB 4.46Å; F678-L684 HydrophobicContact CD2-CB 4.34Å; F678-L684 HydrophobicContact CD2-CD1 4.17Å; F680-L684 PolarHBondContact O-N 2.93Å; C681-L684 PolarHBondContact O-N 3.2Å; C681-L684 VanDerWaalsContact O-N 3.09Å; L684-Q686 PolarHBondContact O-N 2.7Å; L684-H687 CarbonylContact O-C 3.18Å; L684-H687 WeakPolarHBondContact O-CA 3.5Å; L684-H687 WeakPolarHBondContact O-CB 3.49Å; L684-H687 PolarHBondContact O-N 3.43Å; L684-Q688 HydrophobicContact CD1-CG 3.97Å; L684-Q688 HydrophobicContact CG-CG 4.34Å; L684-Q688 WeakPolarHBondContact O-CG 3.16Å; L684-Q688 PolarHBondContact O-N 3.14Å
685	I	52.4	Low	51.5	Low	88 Å²	88	75.2 Å²	75.2	45%	0.451	40%	0.4	S	S	.	.	H	α-helix	trans	-59.1	-49.1	177.8	-66.4	165.2	0	0	0	110.3	C681 H687 Q688 Q689	C681-I685 WeakPolarHBondContact O-CG1 3.42Å; C681-I685 PolarHBondContact O-N 2.8Å; I685-H687 PolarHBondContact O-N 3.11Å; I685-H687 VanDerWaalsContact O-N 3.16Å; I685-Q688 PolarHBondContact O-N 3.09Å; I685-Q689 VanDerWaalsContact O-CG 3.3Å; I685-Q689 WeakPolarHBondContact O-CG 3.44Å; I685-Q689 PolarHBondContact O-N 3.4Å; I685-Q689 VanDerWaalsContact O-N 3.08Å
686	Q	52	Low	51.5	Low	137 Å²	137	77.2 Å²	77.2	64%	0.64	41%	0.406	S	S	*	.	H	α-helix	trans	-60.5	-24.2	174.4	-174.8	176.1	27.1	0	0	112.8	S682 L684 N690	S682-Q686 WeakPolarHBondContact O-CB 3.22Å; S682-Q686 PolarHBondContact O-N 2.97Å; L684-Q686 PolarHBondContact O-N 2.7Å; Q686-N690 PolarHBondContact O-ND2 2.84Å
687	H	58.7	Low	51.5	Low	25 Å²	25	76 Å²	76	12%	0.116	40%	0.398	C	S	.	.	H	α-helix	trans	-82.3	-42.9	176	177.5	39.9	0	0	0	112.9	C671 C674 F678 G683 L684 I685 Q689 N690 H691	C671-H687 PolarHBondContact SG-CD2 3.35Å; C674-H687 PolarHBondContact SG-NE2 3.33Å; F678-H687 HydrophobicContact CE1-CB 4.1Å; F678-H687 HydrophobicContact CE2-CB 3.82Å; F678-H687 AromaticContact CE2-CD2 3.22Å; F678-H687 WeakPolarHBondContact CE2-CD2 3.42Å; F678-H687 AromaticContact CE2-CG 3.64Å; F678-H687 HydrophobicContact CZ-CB 3.52Å; F678-H687 AromaticContact CZ-CD2 3.42Å; F678-H687 VanDerWaalsContact CZ-CD2 3.42Å; F678-H687 WeakPolarHBondContact CZ-CD2 3.41Å; F678-H687 AromaticContact CZ-CG 3.38Å; G683-H687 VanDerWaalsContact O-CB 3.25Å; G683-H687 WeakPolarHBondContact O-CB 3.48Å; G683-H687 PolarHBondContact O-N 2.87Å; G683-H687 VanDerWaalsContact O-N 3.15Å; L684-H687 CarbonylContact O-C 3.18Å; L684-H687 WeakPolarHBondContact O-CA 3.5Å; L684-H687 WeakPolarHBondContact O-CB 3.49Å; L684-H687 PolarHBondContact O-N 3.43Å; I685-H687 PolarHBondContact O-N 3.11Å; I685-H687 VanDerWaalsContact O-N 3.16Å; H687-Q689 PolarHBondContact O-N 2.89Å; H687-N690 WeakPolarHBondContact CA-ND2 3.49Å; H687-N690 PolarHBondContact O-N 3.49Å; H687-N690 PolarHBondContact O-ND2 2.99Å; H687-H691 AromaticContact CD2-NE2 3.87Å; H687-H691 AromaticContact CE1-CE1 3.48Å; H687-H691 PolarHBondContact CE1-CE1 3.34Å; H687-H691 VanDerWaalsContact CE1-CE1 3.48Å; H687-H691 AromaticContact CE1-NE2 3.34Å; H687-H691 PolarHBondContact CE1-NE2 2.76Å; H687-H691 VanDerWaalsContact CE1-NE2 3.34Å; H687-H691 AromaticContact NE2-CE1 3.66Å; H687-H691 AromaticContact NE2-NE2 3.15Å; H687-H691 PolarHBondContact NE2-NE2 3.23Å; H687-H691 VanDerWaalsContact NE2-NE2 3.15Å
688	Q	51.2	Low	51.2	Low	69 Å²	69	78.9 Å²	78.9	32%	0.322	41%	0.411	S	S	.	.	H	α-helix	trans	-62.1	-31.9	175.9	-68.5	-177.7	-78.8	0	0	111.7	C671 E673 L684 I685 N690 H691 T692	C671-Q688 VanDerWaalsContact SG-CG 3.56Å; E673-Q688 PolarHBondContact OE2-NE2 2.85Å; L684-Q688 HydrophobicContact CD1-CG 3.97Å; L684-Q688 HydrophobicContact CG-CG 4.34Å; L684-Q688 WeakPolarHBondContact O-CG 3.16Å; L684-Q688 PolarHBondContact O-N 3.14Å; I685-Q688 PolarHBondContact O-N 3.09Å; Q688-N690 PolarHBondContact O-N 3.47Å; Q688-H691 PolarHBondContact O-N 3.37Å; Q688-T692 PolarHBondContact O-N 3.44Å; Q688-T692 PolarHBondContact O-OG1 3.4Å
689	Q	56.7	Low	50.5	Low	81 Å²	81	76.3 Å²	76.3	38%	0.379	40%	0.401	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.4	16	167.5	-67.8	176.8	-47.1	0	0	115.1	I685 H687	I685-Q689 VanDerWaalsContact O-CG 3.3Å; I685-Q689 WeakPolarHBondContact O-CG 3.44Å; I685-Q689 PolarHBondContact O-N 3.4Å; I685-Q689 VanDerWaalsContact O-N 3.08Å; H687-Q689 PolarHBondContact O-N 2.89Å
690	N	53.7	Low	50.7	Low	107 Å²	107	83.9 Å²	83.9	57%	0.572	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-129	5.9	165.6	-35.5	-108.6	0	0	0	112.2	Q686 H687 Q688	Q686-N690 PolarHBondContact O-ND2 2.84Å; H687-N690 WeakPolarHBondContact CA-ND2 3.49Å; H687-N690 PolarHBondContact O-N 3.49Å; H687-N690 PolarHBondContact O-ND2 2.99Å; Q688-N690 PolarHBondContact O-N 3.47Å
691	H	53.8	Low	50.1	Low	68 Å²	68	86.9 Å²	86.9	32%	0.315	45%	0.445	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.4	-32.9	168.2	-60.9	-46.1	0	0	0	110.6	C671 E673 C674 H687 Q688	C671-H691 PolarHBondContact SG-CD2 3.32Å; C671-H691 PolarHBondContact SG-NE2 3.03Å; E673-H691 IonicContact OE2-CD2 3.81Å; E673-H691 PolarHBondContact OE2-CD2 2.96Å; C674-H691 PolarHBondContact SG-CE1 3.07Å; C674-H691 PolarHBondContact SG-NE2 3.24Å; H687-H691 AromaticContact CD2-NE2 3.87Å; H687-H691 AromaticContact CE1-CE1 3.48Å; H687-H691 PolarHBondContact CE1-CE1 3.34Å; H687-H691 VanDerWaalsContact CE1-CE1 3.48Å; H687-H691 AromaticContact CE1-NE2 3.34Å; H687-H691 PolarHBondContact CE1-NE2 2.76Å; H687-H691 VanDerWaalsContact CE1-NE2 3.34Å; H687-H691 AromaticContact NE2-CE1 3.66Å; H687-H691 AromaticContact NE2-NE2 3.15Å; H687-H691 PolarHBondContact NE2-NE2 3.23Å; H687-H691 VanDerWaalsContact NE2-NE2 3.15Å; Q688-H691 PolarHBondContact O-N 3.37Å
692	T	48.2	Very low	50.2	Low	74 Å²	74	86 Å²	86	45%	0.454	44%	0.439	S	S	.	.	S	Bend	trans	-79.9	113.1	159.6	54.8	0	0	0	0	109.1	Q688 E694	Q688-T692 PolarHBondContact O-N 3.44Å; Q688-T692 PolarHBondContact O-OG1 3.4Å; T692-E694 PolarHBondContact O-N 3.01Å
693	D	45.2	Very low	50.3	Low	128 Å²	128	85.4 Å²	85.4	68%	0.684	45%	0.447	S	S	*	.			trans	-74.9	-5.3	174.6	-113.9	-55.6	0	0	0	113.5	K695	D693-K695 PolarHBondContact O-N 3.22Å; D693-K695 IonicContact OD1-NZ 3.59Å; D693-K695 PolarHBondContact OD1-NZ 3.24Å
694	E	47.7	Very low	49.9	Very low	159 Å²	159	90.1 Å²	90.1	74%	0.743	46%	0.462	S	S	*	.			trans	-61.5	118.4	168.5	-66.7	-170.2	172.8	0	0	111.1	T692 P696	T692-E694 PolarHBondContact O-N 3.01Å; E694-P696 WeakPolarHBondContact O-CD 3.39Å
695	K	45.9	Very low	49.6	Very low	89 Å²	89	91.5 Å²	91.5	39%	0.387	47%	0.473	S	S	.	.			trans	-111.8	89.4	177.6	-67.9	154.5	-166.1	129.9	0	107.4	D693 Y697 F706 T707	D693-K695 PolarHBondContact O-N 3.22Å; D693-K695 IonicContact OD1-NZ 3.59Å; D693-K695 PolarHBondContact OD1-NZ 3.24Å; K695-Y697 PolarHBondContact O-N 3.26Å; K695-F706 CarbonylContact C-O 3.56Å; K695-T707 HydrophobicContact CG-CG2 4.43Å
696	P	50	Low	49.7	Very low	86 Å²	86	89.3 Å²	89.3	56%	0.558	46%	0.46	S	S	*	.			trans	-74.4	20.2	-158.6	-18.9	34.2	0	0	0	116.2	E694	E694-P696 WeakPolarHBondContact O-CD 3.39Å
697	Y	50.2	Low	49.3	Very low	86 Å²	86	85.8 Å²	85.8	34%	0.337	45%	0.448	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	82.7	-166	-63.3	-71.2	0	0	0	110.3	K695 S705 F706 H709 L712	K695-Y697 PolarHBondContact O-N 3.26Å; Y697-S705 WeakPolarHBondContact O-CA 3.41Å; Y697-F706 PolarHBondContact O-N 2.86Å; Y697-H709 HydrophobicContact CD1-CB 4.05Å; Y697-H709 AromaticContact CD1-CD2 3.83Å; Y697-H709 HydrophobicContact CE1-CB 3.64Å; Y697-H709 AromaticContact CE1-CD2 3.7Å; Y697-L712 HydrophobicContact CD1-CD2 4.31Å
698	D	45.7	Very low	48.6	Very low	97 Å²	97	86.7 Å²	86.7	52%	0.519	46%	0.457	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	130.5	-177.7	-64.2	-64.5	0	0	0	113.9	K700 S705	D698-K700 PolarHBondContact O-N 3.21Å; D698-S705 WeakPolarHBondContact OD1-CB 3.35Å; D698-S705 PolarHBondContact OD1-OG 3.37Å
699	G	45.8	Very low	48.3	Very low	4 Å²	4	88.2 Å²	88.2	4%	0.041	46%	0.464	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	96.6	170.2	0	0	0	0	0	111.5	E701 C702 G703 K704	G699-E701 PolarHBondContact O-N 3.26Å; G699-C702 PolarHBondContact O-N 3.36Å; G699-G703 PolarHBondContact O-N 2.82Å; G699-K704 PolarHBondContact N-O 2.94Å
700	K	52.2	Low	47.7	Very low	207 Å²	207	88.1 Å²	88.1	90%	0.9	47%	0.473	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48	-21.3	-174.7	-70.9	-166.8	173.6	-172.1	0	117	D698	D698-K700 PolarHBondContact O-N 3.21Å
701	E	48.1	Very low	47.6	Very low	141 Å²	141	85.6 Å²	85.6	66%	0.659	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.5	-4	-177.6	-62	176.9	134.9	0	0	114.3	G699	G699-E701 PolarHBondContact O-N 3.26Å
702	C	45.4	Very low	47.5	Very low	36 Å²	36	83 Å²	83	24%	0.243	45%	0.449	C	S	.	.	T	Hydrogen-bonded Turn	trans	-144.4	2.1	-167.5	69.8	0	0	0	0	116.5	G699 K704 H715 H719	G699-C702 PolarHBondContact O-N 3.36Å; C702-K704 PolarHBondContact O-N 3.06Å; C702-K704 VanDerWaalsContact O-N 3.14Å; C702-H715 PolarHBondContact SG-NE2 3Å; C702-H715 VanDerWaalsContact SG-NE2 3.39Å; C702-H719 PolarHBondContact SG-NE2 3.3Å; C702-H719 VanDerWaalsContact SG-NE2 3.36Å
703	G	49.6	Very low	47.8	Very low	75 Å²	75	82.6 Å²	82.6	77%	0.773	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.7	19.4	176.9	0	0	0	0	0	115	G699	G699-G703 PolarHBondContact O-N 2.82Å
704	K	43.7	Very low	48.2	Very low	117 Å²	117	82.6 Å²	82.6	51%	0.509	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	122.5	179.1	-70.8	165.9	-173.3	164.2	0	110.1	G699 C702 F706	G699-K704 PolarHBondContact N-O 2.94Å; C702-K704 PolarHBondContact O-N 3.06Å; C702-K704 VanDerWaalsContact O-N 3.14Å; K704-F706 HydrophobicContact CB-CE2 3.8Å; K704-F706 HydrophobicContact CB-CZ 3.92Å; K704-F706 WeakPolarHBondContact O-CD2 3.3Å; K704-F706 WeakPolarHBondContact O-CE2 3.44Å
705	S	44.9	Very low	48.6	Very low	47 Å²	47	76.3 Å²	76.3	33%	0.329	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	141.3	-179.6	-35.7	0	0	0	0	110.7	Y697 D698	Y697-S705 WeakPolarHBondContact O-CA 3.41Å; D698-S705 WeakPolarHBondContact OD1-CB 3.35Å; D698-S705 PolarHBondContact OD1-OG 3.37Å
706	F	55.4	Low	48.9	Very low	43 Å²	43	75.4 Å²	75.4	19%	0.189	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	152.2	-172.1	-65.5	-88.3	0	0	0	113	K695 Y697 K704 S708 L712 H715	K695-F706 CarbonylContact C-O 3.56Å; Y697-F706 PolarHBondContact O-N 2.86Å; K704-F706 HydrophobicContact CB-CE2 3.8Å; K704-F706 HydrophobicContact CB-CZ 3.92Å; K704-F706 WeakPolarHBondContact O-CD2 3.3Å; K704-F706 WeakPolarHBondContact O-CE2 3.44Å; F706-S708 VanDerWaalsContact C-N 3.33Å; F706-L712 HydrophobicContact CB-CB 4.3Å; F706-L712 HydrophobicContact CD2-CB 4.32Å; F706-L712 HydrophobicContact CD2-CD1 3.85Å; F706-L712 HydrophobicContact CE2-CD1 4.32Å; F706-L712 HydrophobicContact CG-CB 4.49Å; F706-H715 HydrophobicContact CE1-CB 4.14Å; F706-H715 HydrophobicContact CE2-CB 3.96Å; F706-H715 AromaticContact CE2-CD2 3.35Å; F706-H715 WeakPolarHBondContact CE2-CD2 3.35Å; F706-H715 AromaticContact CE2-CG 3.78Å; F706-H715 HydrophobicContact CZ-CB 3.65Å; F706-H715 AromaticContact CZ-CD2 3.22Å; F706-H715 WeakPolarHBondContact CZ-CD2 3.45Å; F706-H715 AromaticContact CZ-CG 3.33Å; F706-H715 AromaticContact CZ-ND1 4Å; F706-H715 AromaticContact CZ-NE2 3.84Å
707	T	43.2	Very low	49.3	Very low	62 Å²	62	73 Å²	73	38%	0.38	39%	0.388	S	S	.	.	S	Bend	trans	-86.8	-0	177.9	51.9	0	0	0	0	113.9	K695	K695-T707 HydrophobicContact CG-CG2 4.43Å
708	S	44.6	Very low	49.4	Very low	44 Å²	44	74.6 Å²	74.6	31%	0.308	40%	0.402	S	S	.	.			trans	-150.4	137	175.5	-179.7	0	0	0	0	112.2	F706 S710 T711 L712	F706-S708 VanDerWaalsContact C-N 3.33Å; S708-S710 PolarHBondContact O-N 3.44Å; S708-S710 PolarHBondContact OG-N 3.26Å; S708-S710 PolarHBondContact OG-OG 3.31Å; S708-T711 PolarHBondContact O-N 2.85Å; S708-T711 PolarHBondContact O-OG1 3.41Å; S708-L712 PolarHBondContact O-N 2.89Å
709	H	43.8	Very low	49.4	Very low	102 Å²	102	73.8 Å²	73.8	47%	0.472	40%	0.395	S	S	.	.	H	α-helix	trans	-54	-36.1	171.7	-168.9	-114.9	0	0	0	112.7	Y697 T711 L712 I713	Y697-H709 HydrophobicContact CD1-CB 4.05Å; Y697-H709 AromaticContact CD1-CD2 3.83Å; Y697-H709 HydrophobicContact CE1-CB 3.64Å; Y697-H709 AromaticContact CE1-CD2 3.7Å; H709-T711 VanDerWaalsContact C-N 3.32Å; H709-T711 PolarHBondContact O-N 3.35Å; H709-L712 PolarHBondContact O-N 3.49Å; H709-I713 VanDerWaalsContact CE1-CD1 3.49Å; H709-I713 WeakPolarHBondContact CE1-CD1 3.43Å; H709-I713 PolarHBondContact O-N 2.94Å
710	S	43.8	Very low	49.5	Very low	79 Å²	79	76.9 Å²	76.9	55%	0.552	41%	0.413	S	S	*	.	H	α-helix	trans	-68.7	-28.4	178.5	58.9	0	0	0	0	113.6	S708 Q714	S708-S710 PolarHBondContact O-N 3.44Å; S708-S710 PolarHBondContact OG-N 3.26Å; S708-S710 PolarHBondContact OG-OG 3.31Å; S710-Q714 WeakPolarHBondContact O-CB 3.07Å; S710-Q714 PolarHBondContact O-N 3.04Å
711	T	52.7	Low	49.4	Very low	54 Å²	54	69.3 Å²	69.3	33%	0.331	39%	0.394	S	S	.	.	H	α-helix	trans	-88.3	-25.4	174.1	53.8	0	0	0	0	112.4	S708 H709 H715	S708-T711 PolarHBondContact O-N 2.85Å; S708-T711 PolarHBondContact O-OG1 3.41Å; H709-T711 VanDerWaalsContact C-N 3.32Å; H709-T711 PolarHBondContact O-N 3.35Å; T711-H715 WeakPolarHBondContact O-CB 3.32Å; T711-H715 PolarHBondContact O-N 3.49Å
712	L	52.1	Low	49.7	Very low	13 Å²	13	68.2 Å²	68.2	7%	0.068	39%	0.389	C	S	.	.	H	α-helix	trans	-62.2	-52.2	167	174.8	64.3	0	0	0	110.7	Y697 F706 S708 H709 Q714 H715 Q716	Y697-L712 HydrophobicContact CD1-CD2 4.31Å; F706-L712 HydrophobicContact CB-CB 4.3Å; F706-L712 HydrophobicContact CD2-CB 4.32Å; F706-L712 HydrophobicContact CD2-CD1 3.85Å; F706-L712 HydrophobicContact CE2-CD1 4.32Å; F706-L712 HydrophobicContact CG-CB 4.49Å; S708-L712 PolarHBondContact O-N 2.89Å; H709-L712 PolarHBondContact O-N 3.49Å; L712-Q714 VanDerWaalsContact C-N 3.32Å; L712-Q714 PolarHBondContact O-N 2.97Å; L712-H715 CarbonylContact O-C 3.08Å; L712-H715 WeakPolarHBondContact O-CA 3.19Å; L712-H715 WeakPolarHBondContact O-CB 3.45Å; L712-H715 PolarHBondContact O-N 3.1Å; L712-Q716 HydrophobicContact CD1-CG 3.97Å; L712-Q716 HydrophobicContact CG-CG 4.29Å; L712-Q716 WeakPolarHBondContact O-CG 3.34Å; L712-Q716 PolarHBondContact O-N 3.05Å
713	I	54.8	Low	50	Low	66 Å²	66	72 Å²	72	34%	0.338	40%	0.401	S	S	.	.	H	α-helix	trans	-57.5	-46.1	178	-72.2	174.6	0	0	0	110.9	H709 H715 Q716 Q717	H709-I713 VanDerWaalsContact CE1-CD1 3.49Å; H709-I713 WeakPolarHBondContact CE1-CD1 3.43Å; H709-I713 PolarHBondContact O-N 2.94Å; I713-H715 PolarHBondContact O-N 3.2Å; I713-Q716 PolarHBondContact O-N 3.43Å; I713-Q717 VanDerWaalsContact O-CG 3.31Å; I713-Q717 WeakPolarHBondContact O-CG 3.45Å; I713-Q717 PolarHBondContact O-N 3.06Å; I713-Q717 VanDerWaalsContact O-N 3.12Å
714	Q	52.2	Low	50.2	Low	127 Å²	127	71.9 Å²	71.9	59%	0.593	39%	0.387	S	S	*	.	H	α-helix	trans	-63.8	-22.1	176.8	-169.4	175.4	20	0	0	113	S710 L712 I718	S710-Q714 WeakPolarHBondContact O-CB 3.07Å; S710-Q714 PolarHBondContact O-N 3.04Å; L712-Q714 VanDerWaalsContact C-N 3.32Å; L712-Q714 PolarHBondContact O-N 2.97Å; Q714-I718 WeakPolarHBondContact O-CG1 3.3Å
715	H	57.3	Low	50.9	Low	28 Å²	28	70.3 Å²	70.3	13%	0.13	38%	0.378	C	S	.	.	H	α-helix	trans	-87	-39.1	174.9	-170.9	57	0	0	0	113.1	C702 F706 T711 L712 I713 Q717 I718 H719	C702-H715 PolarHBondContact SG-NE2 3Å; C702-H715 VanDerWaalsContact SG-NE2 3.39Å; F706-H715 HydrophobicContact CE1-CB 4.14Å; F706-H715 HydrophobicContact CE2-CB 3.96Å; F706-H715 AromaticContact CE2-CD2 3.35Å; F706-H715 WeakPolarHBondContact CE2-CD2 3.35Å; F706-H715 AromaticContact CE2-CG 3.78Å; F706-H715 HydrophobicContact CZ-CB 3.65Å; F706-H715 AromaticContact CZ-CD2 3.22Å; F706-H715 WeakPolarHBondContact CZ-CD2 3.45Å; F706-H715 AromaticContact CZ-CG 3.33Å; F706-H715 AromaticContact CZ-ND1 4Å; F706-H715 AromaticContact CZ-NE2 3.84Å; T711-H715 WeakPolarHBondContact O-CB 3.32Å; T711-H715 PolarHBondContact O-N 3.49Å; L712-H715 CarbonylContact O-C 3.08Å; L712-H715 WeakPolarHBondContact O-CA 3.19Å; L712-H715 WeakPolarHBondContact O-CB 3.45Å; L712-H715 PolarHBondContact O-N 3.1Å; I713-H715 PolarHBondContact O-N 3.2Å; H715-Q717 VanDerWaalsContact C-N 3.26Å; H715-Q717 PolarHBondContact O-N 2.58Å; H715-I718 VanDerWaalsContact O-CB 3.29Å; H715-I718 WeakPolarHBondContact O-CB 3.5Å; H715-I718 PolarHBondContact O-N 3.09Å; H715-H719 AromaticContact CD2-NE2 3.5Å; H715-H719 AromaticContact CE1-NE2 3.45Å; H715-H719 PolarHBondContact CE1-NE2 3.33Å; H715-H719 AromaticContact NE2-CD2 3.99Å; H715-H719 AromaticContact NE2-CE1 3.79Å; H715-H719 AromaticContact NE2-NE2 2.98Å; H715-H719 PolarHBondContact NE2-NE2 2.86Å; H715-H719 PolarHBondContact O-CD2 3.06Å
716	Q	52	Low	51	Low	70 Å²	70	72.3 Å²	72.3	33%	0.327	39%	0.385	S	S	.	.	H	α-helix	trans	-59.4	-40.3	175	-72.4	167.4	-39.8	0	0	110.9	L712 I713 I718 H719 T720	L712-Q716 HydrophobicContact CD1-CG 3.97Å; L712-Q716 HydrophobicContact CG-CG 4.29Å; L712-Q716 WeakPolarHBondContact O-CG 3.34Å; L712-Q716 PolarHBondContact O-N 3.05Å; I713-Q716 PolarHBondContact O-N 3.43Å; Q716-I718 PolarHBondContact O-N 3.16Å; Q716-H719 PolarHBondContact O-N 2.99Å; Q716-T720 PolarHBondContact O-N 2.94Å; Q716-T720 VanDerWaalsContact O-N 3.11Å
717	Q	59	Low	51	Low	34 Å²	34	70.3 Å²	70.3	16%	0.159	38%	0.376	C	S	.	.	H	α-helix	trans	-63.6	-5.8	172.4	-69.5	170.9	-18.3	0	0	115	I713 H715 T735	I713-Q717 VanDerWaalsContact O-CG 3.31Å; I713-Q717 WeakPolarHBondContact O-CG 3.45Å; I713-Q717 PolarHBondContact O-N 3.06Å; I713-Q717 VanDerWaalsContact O-N 3.12Å; H715-Q717 VanDerWaalsContact C-N 3.26Å; H715-Q717 PolarHBondContact O-N 2.58Å; Q717-T735 PolarHBondContact OE1-O 3.12Å
718	I	50.9	Low	51.6	Low	120 Å²	120	77.2 Å²	77.2	62%	0.615	40%	0.401	S	S	*	.	H	α-helix	trans	-89.2	-28.2	171	-58.7	173.6	0	0	0	110.9	Q714 H715 Q716	Q714-I718 WeakPolarHBondContact O-CG1 3.3Å; H715-I718 VanDerWaalsContact O-CB 3.29Å; H715-I718 WeakPolarHBondContact O-CB 3.5Å; H715-I718 PolarHBondContact O-N 3.09Å; Q716-I718 PolarHBondContact O-N 3.16Å
719	H	46.2	Very low	51.8	Low	81 Å²	81	80.5 Å²	80.5	38%	0.375	41%	0.412	S	S	.	.	H	α-helix	trans	-87.2	-47.6	179.6	-58.4	-63	0	0	0	111.8	C702 H715 Q716 G721	C702-H719 PolarHBondContact SG-NE2 3.3Å; C702-H719 VanDerWaalsContact SG-NE2 3.36Å; H715-H719 AromaticContact CD2-NE2 3.5Å; H715-H719 AromaticContact CE1-NE2 3.45Å; H715-H719 PolarHBondContact CE1-NE2 3.33Å; H715-H719 AromaticContact NE2-CD2 3.99Å; H715-H719 AromaticContact NE2-CE1 3.79Å; H715-H719 AromaticContact NE2-NE2 2.98Å; H715-H719 PolarHBondContact NE2-NE2 2.86Å; H715-H719 PolarHBondContact O-CD2 3.06Å; Q716-H719 PolarHBondContact O-N 2.99Å; H719-G721 PolarHBondContact O-N 2.88Å
720	T	48.4	Very low	52.3	Low	68 Å²	68	78 Å²	78	42%	0.417	41%	0.405	S	S	.	.	S	Bend	trans	-72.3	-18.5	178.8	69.5	0	0	0	0	113.1	Q716 E722	Q716-T720 PolarHBondContact O-N 2.94Å; Q716-T720 VanDerWaalsContact O-N 3.11Å; T720-E722 WeakPolarHBondContact CB-OE2 3.44Å; T720-E722 PolarHBondContact O-N 2.89Å; T720-E722 WeakPolarHBondContact OG1-CB 3.5Å; T720-E722 WeakPolarHBondContact OG1-CG 3.35Å; T720-E722 PolarHBondContact OG1-N 3.21Å; T720-E722 PolarHBondContact OG1-OE2 2.92Å
721	G	48.9	Very low	52.6	Low	49 Å²	49	77.2 Å²	77.2	51%	0.505	41%	0.41	S	S	.	.			trans	67.3	-0.2	-174.5	0	0	0	0	0	114.5	H719	H719-G721 PolarHBondContact O-N 2.88Å
722	E	54.5	Low	52.4	Low	118 Å²	118	80.4 Å²	80.4	55%	0.551	42%	0.419	S	S	*	.			trans	-66.5	147.4	-175.2	-68.5	173.5	130.8	0	0	112.4	T720 P724	T720-E722 WeakPolarHBondContact CB-OE2 3.44Å; T720-E722 PolarHBondContact O-N 2.89Å; T720-E722 WeakPolarHBondContact OG1-CB 3.5Å; T720-E722 WeakPolarHBondContact OG1-CG 3.35Å; T720-E722 PolarHBondContact OG1-N 3.21Å; T720-E722 PolarHBondContact OG1-OE2 2.92Å; E722-P724 HydrophobicContact CB-CG 4.47Å
723	K	53.2	Low	52.4	Low	114 Å²	114	81.9 Å²	81.9	50%	0.496	43%	0.431	S	S	.	.			trans	-133.7	73.4	-177	-67.1	166.8	-172.5	167.2	0	108.3	Y725 S733 F734 T735	K723-Y725 PolarHBondContact O-N 3.12Å; K723-S733 WeakPolarHBondContact O-CB 3.4Å; K723-F734 CarbonylContact C-O 3.16Å; K723-F734 VanDerWaalsContact CA-O 3.29Å; K723-F734 WeakPolarHBondContact CA-O 3.35Å; K723-T735 HydrophobicContact CG-CG2 4.04Å
724	P	52.8	Low	52.8	Low	73 Å²	73	81 Å²	81	47%	0.474	42%	0.424	S	S	.	.			trans	-68.4	12.4	-161.9	-21.2	34.8	0	0	0	116.4	E722	E722-P724 HydrophobicContact CB-CG 4.47Å
725	Y	58.7	Low	52.6	Low	84 Å²	84	78.2 Å²	78.2	33%	0.329	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	79	-173.7	-59.7	-71.2	0	0	0	109.3	K723 F734 S736 H737	K723-Y725 PolarHBondContact O-N 3.12Å; Y725-F734 WeakPolarHBondContact CB-O 3.31Å; Y725-F734 WeakPolarHBondContact CD2-O 3.48Å; Y725-F734 PolarHBondContact N-O 2.97Å; Y725-F734 PolarHBondContact O-N 3.36Å; Y725-S736 VanDerWaalsContact CD2-C 3.46Å; Y725-H737 HydrophobicContact CD1-CB 3.92Å; Y725-H737 AromaticContact CD1-CD2 3.94Å; Y725-H737 HydrophobicContact CE1-CB 3.69Å; Y725-H737 HydrophobicContact CG-CB 4.46Å
726	D	46.3	Very low	52.3	Low	89 Å²	89	78.4 Å²	78.4	48%	0.476	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	132.4	-179.4	-66.6	-67	0	0	0	113.5	K728 S733	D726-K728 PolarHBondContact O-N 3.27Å; D726-S733 WeakPolarHBondContact OD1-CA 3.42Å; D726-S733 WeakPolarHBondContact OD1-CB 3.47Å; D726-S733 PolarHBondContact OD1-OG 3.46Å
727	C	56.6	Low	51.9	Low	1 Å²	1	80.1 Å²	80.1	1%	0.007	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	100.9	172.2	-175.3	0	0	0	0	110.7	E729 C730 G731 K732 F734 L740 H747	C727-E729 PolarHBondContact O-N 3.4Å; C727-C730 PolarHBondContact O-N 3.24Å; C727-C730 VanDerWaalsContact O-N 3.09Å; C727-G731 PolarHBondContact O-N 3.18Å; C727-K732 WeakPolarHBondContact CB-O 3.34Å; C727-K732 PolarHBondContact N-O 3.18Å; C727-F734 HydrophobicContact CB-CE2 4.37Å; C727-L740 HydrophobicContact CB-CD1 3.66Å; C727-H747 PolarHBondContact SG-CD2 3.2Å; C727-H747 PolarHBondContact SG-NE2 3.26Å
728	K	54.2	Low	51.3	Low	208 Å²	208	82.5 Å²	82.5	90%	0.904	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.5	-21.1	-178.7	-63.5	-166.7	176.1	-168.8	0	115.2	D726	D726-K728 PolarHBondContact O-N 3.27Å
729	E	48.9	Very low	51.4	Low	113 Å²	113	79.2 Å²	79.2	53%	0.528	43%	0.434	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.3	-16.4	-179.5	-65.3	164	117.2	0	0	114	C727 H747	C727-E729 PolarHBondContact O-N 3.4Å; E729-H747 HydrophobicContact CB-CB 4.31Å; E729-H747 IonicContact OE2-CD2 3.65Å; E729-H747 PolarHBondContact OE2-CD2 2.97Å; E729-H747 IonicContact OE2-CG 3.25Å
730	C	55.8	Low	51.9	Low	49 Å²	49	75.9 Å²	75.9	33%	0.331	42%	0.419	S	S	.	.	T	Hydrogen-bonded Turn	trans	-150.5	10.1	-178.1	73.5	0	0	0	0	116.2	C727 K732 H743 H747	C727-C730 PolarHBondContact O-N 3.24Å; C727-C730 VanDerWaalsContact O-N 3.09Å; C730-K732 PolarHBondContact O-N 2.99Å; C730-H743 PolarHBondContact SG-NE2 2.91Å; C730-H747 PolarHBondContact SG-CE1 3.06Å; C730-H747 PolarHBondContact SG-NE2 2.89Å
731	G	50.1	Low	52.2	Low	63 Å²	63	76.1 Å²	76.1	65%	0.649	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	67	13.9	177.2	0	0	0	0	0	115.4	C727	C727-G731 PolarHBondContact O-N 3.18Å
732	K	48.7	Very low	52.3	Low	120 Å²	120	79 Å²	79	52%	0.522	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	120.9	180	-70.3	173.3	-171.4	160.5	0	111	C727 C730 F734	C727-K732 WeakPolarHBondContact CB-O 3.34Å; C727-K732 PolarHBondContact N-O 3.18Å; C730-K732 PolarHBondContact O-N 2.99Å; K732-F734 HydrophobicContact CB-CE2 3.73Å; K732-F734 HydrophobicContact CB-CZ 4.07Å; K732-F734 VanDerWaalsContact O-CD2 3.29Å; K732-F734 WeakPolarHBondContact O-CD2 3.2Å; K732-F734 WeakPolarHBondContact O-CE2 3.49Å
733	S	51.4	Low	52.4	Low	45 Å²	45	74.2 Å²	74.2	32%	0.315	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	141.3	-179.3	-33.6	0	0	0	0	112	K723 D726	K723-S733 WeakPolarHBondContact O-CB 3.4Å; D726-S733 WeakPolarHBondContact OD1-CA 3.42Å; D726-S733 WeakPolarHBondContact OD1-CB 3.47Å; D726-S733 PolarHBondContact OD1-OG 3.46Å
734	F	63.3	Low	52.4	Low	46 Å²	46	71.8 Å²	71.8	20%	0.202	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	152.5	-178.7	-66.3	-90	0	0	0	113	K723 Y725 C727 K732 L740 H743	K723-F734 CarbonylContact C-O 3.16Å; K723-F734 VanDerWaalsContact CA-O 3.29Å; K723-F734 WeakPolarHBondContact CA-O 3.35Å; Y725-F734 WeakPolarHBondContact CB-O 3.31Å; Y725-F734 WeakPolarHBondContact CD2-O 3.48Å; Y725-F734 PolarHBondContact N-O 2.97Å; Y725-F734 PolarHBondContact O-N 3.36Å; C727-F734 HydrophobicContact CB-CE2 4.37Å; K732-F734 HydrophobicContact CB-CE2 3.73Å; K732-F734 HydrophobicContact CB-CZ 4.07Å; K732-F734 VanDerWaalsContact O-CD2 3.29Å; K732-F734 WeakPolarHBondContact O-CD2 3.2Å; K732-F734 WeakPolarHBondContact O-CE2 3.49Å; F734-L740 HydrophobicContact CB-CB 4.2Å; F734-L740 HydrophobicContact CD2-CB 4.3Å; F734-L740 HydrophobicContact CD2-CD1 3.93Å; F734-L740 HydrophobicContact CE2-CD1 4.44Å; F734-L740 HydrophobicContact CG-CB 4.4Å; F734-H743 HydrophobicContact CD2-CB 4.49Å; F734-H743 HydrophobicContact CE1-CB 3.96Å; F734-H743 HydrophobicContact CE2-CB 3.82Å; F734-H743 AromaticContact CE2-CD2 3.15Å; F734-H743 WeakPolarHBondContact CE2-CD2 3.38Å; F734-H743 AromaticContact CE2-CG 3.46Å; F734-H743 VanDerWaalsContact CE2-CG 3.46Å; F734-H743 AromaticContact CE2-NE2 3.84Å; F734-H743 HydrophobicContact CZ-CB 3.53Å; F734-H743 AromaticContact CZ-CD2 3.34Å; F734-H743 WeakPolarHBondContact CZ-CD2 3.37Å; F734-H743 AromaticContact CZ-CG 3.16Å; F734-H743 AromaticContact CZ-ND1 3.63Å; F734-H743 AromaticContact CZ-NE2 3.85Å
735	T	46.6	Very low	52.7	Low	69 Å²	69	72.2 Å²	72.2	42%	0.423	38%	0.381	S	S	.	.	S	Bend	trans	-83.3	-9.6	177.9	54	0	0	0	0	113.5	Q717 K723	Q717-T735 PolarHBondContact OE1-O 3.12Å; K723-T735 HydrophobicContact CG-CG2 4.04Å
736	S	51.2	Low	52.4	Low	33 Å²	33	73.7 Å²	73.7	23%	0.231	39%	0.394	C	S	.	.	S	Bend	trans	-144.8	143.1	174	75.4	0	0	0	0	113.5	Y725 S738 T739 L740	Y725-S736 VanDerWaalsContact CD2-C 3.46Å; S736-S738 PolarHBondContact O-N 3.31Å; S736-S738 VanDerWaalsContact O-N 3.15Å; S736-S738 PolarHBondContact OG-OG 3.05Å; S736-S738 VanDerWaalsContact OG-OG 3.12Å; S736-T739 PolarHBondContact O-N 3.3Å; S736-T739 PolarHBondContact O-OG1 3.25Å; S736-T739 WeakPolarHBondContact OG-CG2 3.23Å; S736-T739 PolarHBondContact OG-N 3.36Å; S736-T739 PolarHBondContact OG-OG1 2.93Å; S736-L740 PolarHBondContact O-N 3.06Å
737	H	44.4	Very low	52.5	Low	106 Å²	106	72.5 Å²	72.5	49%	0.491	39%	0.385	S	S	.	.	H	α-helix	trans	-54.5	-33.3	174	-168.3	-119	0	0	0	113.1	Y725 I741	Y725-H737 HydrophobicContact CD1-CB 3.92Å; Y725-H737 AromaticContact CD1-CD2 3.94Å; Y725-H737 HydrophobicContact CE1-CB 3.69Å; Y725-H737 HydrophobicContact CG-CB 4.46Å; H737-I741 WeakPolarHBondContact O-CG1 3.34Å; H737-I741 PolarHBondContact O-N 3.41Å
738	S	45.3	Very low	52.2	Low	84 Å²	84	76 Å²	76	59%	0.587	41%	0.407	S	S	*	.	H	α-helix	trans	-71	-28.4	176.7	52.6	0	0	0	0	113.8	S736 Q742	S736-S738 PolarHBondContact O-N 3.31Å; S736-S738 VanDerWaalsContact O-N 3.15Å; S736-S738 PolarHBondContact OG-OG 3.05Å; S736-S738 VanDerWaalsContact OG-OG 3.12Å; S738-Q742 PolarHBondContact O-N 3.09Å
739	T	54.9	Low	51.9	Low	50 Å²	50	68.5 Å²	68.5	31%	0.307	39%	0.388	S	S	.	.	H	α-helix	trans	-85.3	-31.4	173.2	52.7	0	0	0	0	112.3	S736 Q742 H743	S736-T739 PolarHBondContact O-N 3.3Å; S736-T739 PolarHBondContact O-OG1 3.25Å; S736-T739 WeakPolarHBondContact OG-CG2 3.23Å; S736-T739 PolarHBondContact OG-N 3.36Å; S736-T739 PolarHBondContact OG-OG1 2.93Å; T739-Q742 PolarHBondContact O-N 3.42Å; T739-H743 WeakPolarHBondContact O-CB 3.21Å; T739-H743 PolarHBondContact O-N 3.43Å
740	L	55.4	Low	51.9	Low	12 Å²	12	69.2 Å²	69.2	6%	0.063	39%	0.392	C	S	.	.	H	α-helix	trans	-59.8	-49.6	167.6	174.2	62.3	0	0	0	111.5	C727 F734 S736 Q742 H743 Q744	C727-L740 HydrophobicContact CB-CD1 3.66Å; F734-L740 HydrophobicContact CB-CB 4.2Å; F734-L740 HydrophobicContact CD2-CB 4.3Å; F734-L740 HydrophobicContact CD2-CD1 3.93Å; F734-L740 HydrophobicContact CE2-CD1 4.44Å; F734-L740 HydrophobicContact CG-CB 4.4Å; S736-L740 PolarHBondContact O-N 3.06Å; L740-Q742 VanDerWaalsContact C-N 3.31Å; L740-Q742 PolarHBondContact O-N 3.5Å; L740-H743 CarbonylContact O-C 3.16Å; L740-H743 WeakPolarHBondContact O-CA 3.44Å; L740-H743 WeakPolarHBondContact O-CB 3.37Å; L740-H743 PolarHBondContact O-N 3.06Å; L740-Q744 HydrophobicContact CD1-CG 3.89Å; L740-Q744 HydrophobicContact CG-CG 4.26Å; L740-Q744 WeakPolarHBondContact O-CG 3.41Å; L740-Q744 PolarHBondContact O-N 3.32Å
741	I	54.7	Low	51.4	Low	73 Å²	73	73.7 Å²	73.7	37%	0.374	41%	0.405	S	S	.	.	H	α-helix	trans	-59.6	-42.9	178.2	-73.5	171.4	0	0	0	111.2	H737 H743 Q744 Q745	H737-I741 WeakPolarHBondContact O-CG1 3.34Å; H737-I741 PolarHBondContact O-N 3.41Å; I741-H743 PolarHBondContact O-N 3.07Å; I741-Q744 PolarHBondContact O-N 3.41Å; I741-Q745 WeakPolarHBondContact O-CG 3.28Å; I741-Q745 PolarHBondContact O-N 3.07Å
742	Q	51.4	Low	51.3	Low	109 Å²	109	75.6 Å²	75.6	51%	0.509	40%	0.4	S	S	.	.	H	α-helix	trans	-64.6	-24.7	175.7	-172.2	176.2	9	0	0	112.6	S738 T739 L740	S738-Q742 PolarHBondContact O-N 3.09Å; T739-Q742 PolarHBondContact O-N 3.42Å; L740-Q742 VanDerWaalsContact C-N 3.31Å; L740-Q742 PolarHBondContact O-N 3.5Å
743	H	57.3	Low	51.6	Low	18 Å²	18	73.9 Å²	73.9	8%	0.083	39%	0.391	C	S	.	.	H	α-helix	trans	-86.5	-37.1	177.2	177.6	65	0	0	0	113.5	C730 F734 T739 L740 I741 Q745 I746 H747	C730-H743 PolarHBondContact SG-NE2 2.91Å; F734-H743 HydrophobicContact CD2-CB 4.49Å; F734-H743 HydrophobicContact CE1-CB 3.96Å; F734-H743 HydrophobicContact CE2-CB 3.82Å; F734-H743 AromaticContact CE2-CD2 3.15Å; F734-H743 WeakPolarHBondContact CE2-CD2 3.38Å; F734-H743 AromaticContact CE2-CG 3.46Å; F734-H743 VanDerWaalsContact CE2-CG 3.46Å; F734-H743 AromaticContact CE2-NE2 3.84Å; F734-H743 HydrophobicContact CZ-CB 3.53Å; F734-H743 AromaticContact CZ-CD2 3.34Å; F734-H743 WeakPolarHBondContact CZ-CD2 3.37Å; F734-H743 AromaticContact CZ-CG 3.16Å; F734-H743 AromaticContact CZ-ND1 3.63Å; F734-H743 AromaticContact CZ-NE2 3.85Å; T739-H743 WeakPolarHBondContact O-CB 3.21Å; T739-H743 PolarHBondContact O-N 3.43Å; L740-H743 CarbonylContact O-C 3.16Å; L740-H743 WeakPolarHBondContact O-CA 3.44Å; L740-H743 WeakPolarHBondContact O-CB 3.37Å; L740-H743 PolarHBondContact O-N 3.06Å; I741-H743 PolarHBondContact O-N 3.07Å; H743-Q745 PolarHBondContact O-N 3.48Å; H743-I746 WeakPolarHBondContact O-CB 3.44Å; H743-I746 WeakPolarHBondContact O-CG1 3.39Å; H743-I746 PolarHBondContact O-N 2.88Å; H743-H747 AromaticContact CD2-NE2 3.59Å; H743-H747 AromaticContact CE1-CE1 3.73Å; H743-H747 AromaticContact CE1-NE2 3.56Å; H743-H747 AromaticContact NE2-CE1 3.57Å; H743-H747 AromaticContact NE2-NE2 3.03Å; H743-H747 PolarHBondContact NE2-NE2 3.09Å
744	Q	53	Low	51.3	Low	63 Å²	63	75.6 Å²	75.6	29%	0.294	40%	0.397	S	S	.	.	H	α-helix	trans	-60.5	-33.1	174.3	-73.8	168.2	-45.6	0	0	111.5	L740 I741 I746 H747 T748	L740-Q744 HydrophobicContact CD1-CG 3.89Å; L740-Q744 HydrophobicContact CG-CG 4.26Å; L740-Q744 WeakPolarHBondContact O-CG 3.41Å; L740-Q744 PolarHBondContact O-N 3.32Å; I741-Q744 PolarHBondContact O-N 3.41Å; Q744-I746 PolarHBondContact O-N 3.38Å; Q744-H747 PolarHBondContact O-N 2.93Å; Q744-T748 PolarHBondContact O-N 3.4Å
745	Q	58.8	Low	50.8	Low	81 Å²	81	73.5 Å²	73.5	38%	0.379	39%	0.388	S	S	.	.	H	α-helix	trans	-63.6	-1.2	170	-70.3	176.7	-20.5	0	0	114.9	I741 H743	I741-Q745 WeakPolarHBondContact O-CG 3.28Å; I741-Q745 PolarHBondContact O-N 3.07Å; H743-Q745 PolarHBondContact O-N 3.48Å
746	I	52.3	Low	51.1	Low	116 Å²	116	80.3 Å²	80.3	60%	0.595	41%	0.411	S	S	*	.	H	α-helix	trans	-89.5	-30.8	170.1	-55.1	-178.6	0	0	0	110.9	H743 Q744	H743-I746 WeakPolarHBondContact O-CB 3.44Å; H743-I746 WeakPolarHBondContact O-CG1 3.39Å; H743-I746 PolarHBondContact O-N 2.88Å; Q744-I746 PolarHBondContact O-N 3.38Å
747	H	48.3	Very low	50.9	Low	64 Å²	64	84 Å²	84	30%	0.296	43%	0.425	S	S	.	.	H	α-helix	trans	-85.9	-39.4	-177.4	-51	-49	0	0	0	112.3	C727 E729 C730 H743 Q744 G749	C727-H747 PolarHBondContact SG-CD2 3.2Å; C727-H747 PolarHBondContact SG-NE2 3.26Å; E729-H747 HydrophobicContact CB-CB 4.31Å; E729-H747 IonicContact OE2-CD2 3.65Å; E729-H747 PolarHBondContact OE2-CD2 2.97Å; E729-H747 IonicContact OE2-CG 3.25Å; C730-H747 PolarHBondContact SG-CE1 3.06Å; C730-H747 PolarHBondContact SG-NE2 2.89Å; H743-H747 AromaticContact CD2-NE2 3.59Å; H743-H747 AromaticContact CE1-CE1 3.73Å; H743-H747 AromaticContact CE1-NE2 3.56Å; H743-H747 AromaticContact NE2-CE1 3.57Å; H743-H747 AromaticContact NE2-NE2 3.03Å; H743-H747 PolarHBondContact NE2-NE2 3.09Å; Q744-H747 PolarHBondContact O-N 2.93Å; H747-G749 PolarHBondContact O-N 3.38Å
748	T	49.3	Very low	51.2	Low	75 Å²	75	81.4 Å²	81.4	46%	0.46	42%	0.418	S	S	.	.	S	Bend	trans	-70.2	-13.4	176.9	67.5	0	0	0	0	113.7	Q744 E750	Q744-T748 PolarHBondContact O-N 3.4Å; T748-E750 PolarHBondContact O-N 3.26Å
749	G	48.1	Very low	51.3	Low	50 Å²	50	80.4 Å²	80.4	52%	0.515	42%	0.421	S	S	.	.			trans	68	-3.5	-179.2	0	0	0	0	0	115.8	H747 K751	H747-G749 PolarHBondContact O-N 3.38Å; G749-K751 PolarHBondContact O-N 3.05Å
750	E	48.5	Very low	50.8	Low	128 Å²	128	83.2 Å²	83.2	60%	0.598	43%	0.429	S	S	*	.			trans	-70.1	90.1	-169.3	-70.5	-163	129.7	0	0	114.1	T748 L752	T748-E750 PolarHBondContact O-N 3.26Å; E750-L752 HydrophobicContact CB-CG 4.45Å; E750-L752 PolarHBondContact O-N 3.44Å
751	K	45.5	Very low	50.2	Low	142 Å²	142	84.8 Å²	84.8	62%	0.617	44%	0.441	S	S	*	.			trans	-75.4	79.7	170.3	-74.2	159.3	165.7	-178.7	0	111.4	G749 Y753 S761	G749-K751 PolarHBondContact O-N 3.05Å; K751-Y753 VanDerWaalsContact C-N 3.29Å; K751-Y753 PolarHBondContact O-N 2.92Å; K751-S761 WeakPolarHBondContact CD-OG 3.28Å
752	L	49.8	Very low	50.4	Low	103 Å²	103	83.3 Å²	83.3	54%	0.539	43%	0.432	S	S	.	.			trans	-69.9	-10.3	-173.8	-72.9	165.2	0	0	0	116.6	E750	E750-L752 HydrophobicContact CB-CG 4.45Å; E750-L752 PolarHBondContact O-N 3.44Å
753	Y	54.4	Low	49.9	Very low	84 Å²	84	82.7 Å²	82.7	33%	0.329	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	83.1	-172.9	-57.8	-64.9	0	0	0	113.3	K751 F762 H765	K751-Y753 VanDerWaalsContact C-N 3.29Å; K751-Y753 PolarHBondContact O-N 2.92Å; Y753-F762 WeakPolarHBondContact CB-O 3.34Å; Y753-F762 PolarHBondContact O-N 3.14Å; Y753-H765 HydrophobicContact CD1-CB 4Å; Y753-H765 AromaticContact CD1-CD2 3.96Å; Y753-H765 HydrophobicContact CD2-CB 4.29Å; Y753-H765 VanDerWaalsContact CD2-N 3.31Å; Y753-H765 HydrophobicContact CE1-CB 3.79Å; Y753-H765 AromaticContact CE1-CD2 3.89Å; Y753-H765 HydrophobicContact CE2-CB 4.05Å; Y753-H765 HydrophobicContact CG-CB 4.27Å
754	D	44	Very low	49.5	Very low	81 Å²	81	83.5 Å²	83.5	43%	0.433	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	137	175.7	-70.4	-49.5	0	0	0	113.9	K756 S761	D754-K756 PolarHBondContact O-N 2.89Å; D754-S761 WeakPolarHBondContact OD1-CA 3.42Å; D754-S761 WeakPolarHBondContact OD1-CB 3.48Å; D754-S761 PolarHBondContact OD1-N 3.21Å; D754-S761 PolarHBondContact OD1-OG 2.88Å
755	C	53.4	Low	49	Very low	2 Å²	2	83.6 Å²	83.6	1%	0.014	44%	0.444	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	99.3	171	-173	0	0	0	0	110.1	E757 C758 G759 K760 F762 L768 H771	C755-E757 PolarHBondContact O-N 2.95Å; C755-C758 PolarHBondContact O-N 2.86Å; C755-G759 PolarHBondContact O-N 3.46Å; C755-K760 WeakPolarHBondContact CB-O 3.42Å; C755-K760 PolarHBondContact N-O 2.86Å; C755-F762 HydrophobicContact CB-CE2 4.08Å; C755-L768 HydrophobicContact CB-CD1 3.59Å; C755-H771 PolarHBondContact SG-ND1 2.91Å
756	K	52.3	Low	48.3	Very low	212 Å²	212	83 Å²	83	92%	0.922	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.8	-27.4	-176.6	-65.7	-168.1	175.7	-170.4	0	114.6	D754	D754-K756 PolarHBondContact O-N 2.89Å
757	E	46.8	Very low	48.3	Very low	111 Å²	111	80 Å²	80	52%	0.519	44%	0.436	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.9	-7.9	179.7	-63.4	168.1	108.8	0	0	114.7	C755 H775	C755-E757 PolarHBondContact O-N 2.95Å; E757-H775 HydrophobicContact CB-CB 4.21Å; E757-H775 VanDerWaalsContact CD-CB 3.49Å; E757-H775 HydrophobicContact CG-CB 4.48Å; E757-H775 WeakPolarHBondContact OE1-CB 3.48Å; E757-H775 WeakPolarHBondContact OE2-CB 3.35Å; E757-H775 IonicContact OE2-CD2 3.07Å; E757-H775 IonicContact OE2-CG 3.1Å
758	C	50.7	Low	48.5	Very low	52 Å²	52	77.6 Å²	77.6	35%	0.351	43%	0.425	S	S	.	.	T	Hydrogen-bonded Turn	trans	-156.6	10.6	175.4	70.1	0	0	0	0	117.3	C755 K760 H775	C755-C758 PolarHBondContact O-N 2.86Å; C758-K760 PolarHBondContact O-N 2.95Å; C758-H775 VanDerWaalsContact CB-CE1 3.49Å; C758-H775 WeakPolarHBondContact CB-CE1 3.31Å; C758-H775 PolarHBondContact SG-CE1 3.02Å; C758-H775 PolarHBondContact SG-NE2 3.36Å
759	G	48.4	Very low	48.7	Very low	63 Å²	63	77.6 Å²	77.6	65%	0.649	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.1	20.5	176.5	0	0	0	0	0	115.1	C755	C755-G759 PolarHBondContact O-N 3.46Å
760	K	43.6	Very low	48.9	Very low	109 Å²	109	80.8 Å²	80.8	47%	0.474	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	122	176	-72.1	177.1	-167.7	150	0	111.2	C755 C758 F762	C755-K760 WeakPolarHBondContact CB-O 3.42Å; C755-K760 PolarHBondContact N-O 2.86Å; C758-K760 PolarHBondContact O-N 2.95Å; K760-F762 HydrophobicContact CB-CE2 3.75Å; K760-F762 HydrophobicContact CB-CZ 4Å; K760-F762 VanDerWaalsContact O-CD2 3.3Å; K760-F762 WeakPolarHBondContact O-CD2 3.38Å; K760-F762 WeakPolarHBondContact O-CE2 3.32Å
761	S	43.8	Very low	49.3	Very low	44 Å²	44	75.7 Å²	75.7	31%	0.308	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	143.6	175.7	-41	0	0	0	0	112.5	K751 D754	K751-S761 WeakPolarHBondContact CD-OG 3.28Å; D754-S761 WeakPolarHBondContact OD1-CA 3.42Å; D754-S761 WeakPolarHBondContact OD1-CB 3.48Å; D754-S761 PolarHBondContact OD1-N 3.21Å; D754-S761 PolarHBondContact OD1-OG 2.88Å
762	F	57.7	Low	49.8	Very low	43 Å²	43	73 Å²	73	19%	0.189	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	138.7	178.1	-66.5	-85.2	0	0	0	111.8	Y753 C755 K760 S764 L768 H771	Y753-F762 WeakPolarHBondContact CB-O 3.34Å; Y753-F762 PolarHBondContact O-N 3.14Å; C755-F762 HydrophobicContact CB-CE2 4.08Å; K760-F762 HydrophobicContact CB-CE2 3.75Å; K760-F762 HydrophobicContact CB-CZ 4Å; K760-F762 VanDerWaalsContact O-CD2 3.3Å; K760-F762 WeakPolarHBondContact O-CD2 3.38Å; K760-F762 WeakPolarHBondContact O-CE2 3.32Å; F762-S764 PolarHBondContact O-N 2.96Å; F762-L768 HydrophobicContact CB-CB 4.22Å; F762-L768 HydrophobicContact CD2-CB 4.12Å; F762-L768 HydrophobicContact CD2-CD1 3.83Å; F762-L768 HydrophobicContact CE2-CD1 4.13Å; F762-L768 HydrophobicContact CG-CB 4.27Å; F762-H771 HydrophobicContact CE1-CB 4.11Å; F762-H771 HydrophobicContact CE2-CB 4.07Å; F762-H771 AromaticContact CE2-CG 3.73Å; F762-H771 AromaticContact CE2-ND1 3.68Å; F762-H771 HydrophobicContact CZ-CB 3.7Å; F762-H771 AromaticContact CZ-CD2 3.37Å; F762-H771 WeakPolarHBondContact CZ-CD2 3.43Å; F762-H771 AromaticContact CZ-CE1 3.9Å; F762-H771 AromaticContact CZ-CG 3.29Å; F762-H771 AromaticContact CZ-ND1 3.64Å; F762-H771 AromaticContact CZ-NE2 3.77Å
763	T	42.4	Very low	50	Low	96 Å²	96	69.3 Å²	69.3	59%	0.589	37%	0.371	S	S	*	.	S	Bend	trans	-74.4	-1.9	176.5	52.2	0	0	0	0	113.5
764	S	47.4	Very low	49.8	Very low	34 Å²	34	70 Å²	70	24%	0.238	38%	0.38	C	S	.	.			trans	-155.3	139.2	172.7	59.9	0	0	0	0	113.3	F762 S766 T767 L768	F762-S764 PolarHBondContact O-N 2.96Å; S764-S766 PolarHBondContact O-N 3.22Å; S764-S766 VanDerWaalsContact O-N 3.12Å; S764-S766 PolarHBondContact OG-OG 3.39Å; S764-T767 PolarHBondContact O-N 3.13Å; S764-T767 PolarHBondContact O-OG1 3.34Å; S764-T767 WeakPolarHBondContact OG-CG2 3.37Å; S764-T767 PolarHBondContact OG-OG1 2.88Å; S764-L768 PolarHBondContact O-N 2.85Å; S764-L768 VanDerWaalsContact O-N 3.12Å
765	H	44.1	Very low	50.1	Low	66 Å²	66	69.1 Å²	69.1	31%	0.306	37%	0.373	S	S	.	.	H	α-helix	trans	-53.7	-30.6	173.9	-175	-104.1	0	0	0	113.6	Y753 I769	Y753-H765 HydrophobicContact CD1-CB 4Å; Y753-H765 AromaticContact CD1-CD2 3.96Å; Y753-H765 HydrophobicContact CD2-CB 4.29Å; Y753-H765 VanDerWaalsContact CD2-N 3.31Å; Y753-H765 HydrophobicContact CE1-CB 3.79Å; Y753-H765 AromaticContact CE1-CD2 3.89Å; Y753-H765 HydrophobicContact CE2-CB 4.05Å; Y753-H765 HydrophobicContact CG-CB 4.27Å; H765-I769 WeakPolarHBondContact CE1-CD1 3.36Å; H765-I769 WeakPolarHBondContact O-CB 3.48Å; H765-I769 WeakPolarHBondContact O-CG1 3.32Å; H765-I769 PolarHBondContact O-N 3.22Å
766	S	42.4	Very low	49.9	Very low	68 Å²	68	72.6 Å²	72.6	48%	0.476	39%	0.394	S	S	.	.	H	α-helix	trans	-71.3	-27.4	175.6	51.4	0	0	0	0	113.7	S764 Q770	S764-S766 PolarHBondContact O-N 3.22Å; S764-S766 VanDerWaalsContact O-N 3.12Å; S764-S766 PolarHBondContact OG-OG 3.39Å; S766-Q770 WeakPolarHBondContact O-CG 3.27Å; S766-Q770 PolarHBondContact O-N 3.49Å; S766-Q770 PolarHBondContact O-NE2 3.08Å
767	T	52.3	Low	49.9	Very low	53 Å²	53	65 Å²	65	33%	0.325	38%	0.375	S	S	.	.	H	α-helix	trans	-82.9	-35.1	172.2	53.4	0	0	0	0	112.1	S764 Q770 H771	S764-T767 PolarHBondContact O-N 3.13Å; S764-T767 PolarHBondContact O-OG1 3.34Å; S764-T767 WeakPolarHBondContact OG-CG2 3.37Å; S764-T767 PolarHBondContact OG-OG1 2.88Å; T767-Q770 PolarHBondContact O-N 3.3Å; T767-H771 WeakPolarHBondContact O-CB 3.36Å; T767-H771 PolarHBondContact O-N 2.9Å
768	L	53.5	Low	50.2	Low	14 Å²	14	65.6 Å²	65.6	7%	0.073	38%	0.378	C	S	.	.	H	α-helix	trans	-59.3	-46.6	169.4	176.7	59.2	0	0	0	111.6	C755 F762 S764 Q770 H771 Q772	C755-L768 HydrophobicContact CB-CD1 3.59Å; F762-L768 HydrophobicContact CB-CB 4.22Å; F762-L768 HydrophobicContact CD2-CB 4.12Å; F762-L768 HydrophobicContact CD2-CD1 3.83Å; F762-L768 HydrophobicContact CE2-CD1 4.13Å; F762-L768 HydrophobicContact CG-CB 4.27Å; S764-L768 PolarHBondContact O-N 2.85Å; S764-L768 VanDerWaalsContact O-N 3.12Å; L768-Q770 PolarHBondContact O-N 2.93Å; L768-H771 WeakPolarHBondContact O-CA 3.37Å; L768-H771 WeakPolarHBondContact O-CB 3.41Å; L768-H771 PolarHBondContact O-N 3.08Å; L768-Q772 HydrophobicContact CD1-CG 4.08Å; L768-Q772 HydrophobicContact CG-CG 4.38Å; L768-Q772 WeakPolarHBondContact O-CG 3.43Å; L768-Q772 PolarHBondContact O-N 3.16Å
769	I	54.3	Low	50.3	Low	75 Å²	75	69 Å²	69	39%	0.385	39%	0.387	S	S	.	.	H	α-helix	trans	-62.8	-26.8	176.4	-78.1	179.6	0	0	0	113.1	H765 P773	H765-I769 WeakPolarHBondContact CE1-CD1 3.36Å; H765-I769 WeakPolarHBondContact O-CB 3.48Å; H765-I769 WeakPolarHBondContact O-CG1 3.32Å; H765-I769 PolarHBondContact O-N 3.22Å; I769-P773 WeakPolarHBondContact O-CD 3.08Å
770	Q	51.1	Low	50.5	Low	116 Å²	116	69 Å²	69	54%	0.542	38%	0.376	S	S	.	.	H	α-helix	trans	-82.2	-15.7	172	-72	177.6	43	0	0	113.1	S766 T767 L768 L792	S766-Q770 WeakPolarHBondContact O-CG 3.27Å; S766-Q770 PolarHBondContact O-N 3.49Å; S766-Q770 PolarHBondContact O-NE2 3.08Å; T767-Q770 PolarHBondContact O-N 3.3Å; L768-Q770 PolarHBondContact O-N 2.93Å; Q770-L792 HydrophobicContact CB-CD2 4.41Å; Q770-L792 HydrophobicContact CG-CD2 4.08Å
771	H	58.2	Low	51.2	Low	21 Å²	21	66.8 Å²	66.8	10%	0.097	37%	0.365	C	S	.	.	H	α-helix	trans	-91.5	-37.6	179.4	-177.1	-96.2	0	0	0	113	C755 F762 T767 L768 P773 L774 H775	C755-H771 PolarHBondContact SG-ND1 2.91Å; F762-H771 HydrophobicContact CE1-CB 4.11Å; F762-H771 HydrophobicContact CE2-CB 4.07Å; F762-H771 AromaticContact CE2-CG 3.73Å; F762-H771 AromaticContact CE2-ND1 3.68Å; F762-H771 HydrophobicContact CZ-CB 3.7Å; F762-H771 AromaticContact CZ-CD2 3.37Å; F762-H771 WeakPolarHBondContact CZ-CD2 3.43Å; F762-H771 AromaticContact CZ-CE1 3.9Å; F762-H771 AromaticContact CZ-CG 3.29Å; F762-H771 AromaticContact CZ-ND1 3.64Å; F762-H771 AromaticContact CZ-NE2 3.77Å; T767-H771 WeakPolarHBondContact O-CB 3.36Å; T767-H771 PolarHBondContact O-N 2.9Å; L768-H771 WeakPolarHBondContact O-CA 3.37Å; L768-H771 WeakPolarHBondContact O-CB 3.41Å; L768-H771 PolarHBondContact O-N 3.08Å; H771-P773 VanDerWaalsContact C-CD 3.48Å; H771-L774 WeakPolarHBondContact O-CB 3.28Å; H771-L774 WeakPolarHBondContact O-CG 3.17Å; H771-L774 PolarHBondContact O-N 2.93Å; H771-H775 AromaticContact CE1-CD2 3.91Å; H771-H775 AromaticContact CE1-NE2 3.11Å; H771-H775 PolarHBondContact CE1-NE2 3.16Å; H771-H775 AromaticContact ND1-NE2 3.67Å
772	Q	54.3	Low	51.8	Low	85 Å²	85	69.2 Å²	69.2	40%	0.397	37%	0.371	S	S	.	.	G	3₁₀ helix	trans	-51.2	-41.4	-179.2	-73.1	169.7	-59.6	0	0	114.4	L768 L774 H775	L768-Q772 HydrophobicContact CD1-CG 4.08Å; L768-Q772 HydrophobicContact CG-CG 4.38Å; L768-Q772 WeakPolarHBondContact O-CG 3.43Å; L768-Q772 PolarHBondContact O-N 3.16Å; Q772-L774 PolarHBondContact O-N 2.86Å; Q772-H775 PolarHBondContact O-N 3.13Å
773	P	55.8	Low	51.8	Low	27 Å²	27	67.3 Å²	67.3	18%	0.175	36%	0.363	C	S	.	.	G	3₁₀ helix	trans	-64.7	0.1	175.2	-22.4	34.8	0	0	0	115.7	I769 H771	I769-P773 WeakPolarHBondContact O-CD 3.08Å; H771-P773 VanDerWaalsContact C-CD 3.48Å
774	L	50.2	Low	52.3	Low	99 Å²	99	71 Å²	71	52%	0.518	37%	0.371	S	S	.	.	G	3₁₀ helix	trans	-88.7	-9.9	172	-56.8	176.8	0	0	0	113.1	H771 Q772	H771-L774 WeakPolarHBondContact O-CB 3.28Å; H771-L774 WeakPolarHBondContact O-CG 3.17Å; H771-L774 PolarHBondContact O-N 2.93Å; Q772-L774 PolarHBondContact O-N 2.86Å
775	H	50.3	Low	52.4	Low	62 Å²	62	74.4 Å²	74.4	29%	0.287	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.9	-53.4	177.3	-69.6	-73.8	0	0	0	112	E757 C758 H771 Q772 G777	E757-H775 HydrophobicContact CB-CB 4.21Å; E757-H775 VanDerWaalsContact CD-CB 3.49Å; E757-H775 HydrophobicContact CG-CB 4.48Å; E757-H775 WeakPolarHBondContact OE1-CB 3.48Å; E757-H775 WeakPolarHBondContact OE2-CB 3.35Å; E757-H775 IonicContact OE2-CD2 3.07Å; E757-H775 IonicContact OE2-CG 3.1Å; C758-H775 VanDerWaalsContact CB-CE1 3.49Å; C758-H775 WeakPolarHBondContact CB-CE1 3.31Å; C758-H775 PolarHBondContact SG-CE1 3.02Å; C758-H775 PolarHBondContact SG-NE2 3.36Å; H771-H775 AromaticContact CE1-CD2 3.91Å; H771-H775 AromaticContact CE1-NE2 3.11Å; H771-H775 PolarHBondContact CE1-NE2 3.16Å; H771-H775 AromaticContact ND1-NE2 3.67Å; Q772-H775 PolarHBondContact O-N 3.13Å; H775-G777 PolarHBondContact O-N 3.19Å; H775-G777 VanDerWaalsContact O-N 3.15Å
776	T	49.3	Very low	52.9	Low	75 Å²	75	73.9 Å²	73.9	46%	0.46	39%	0.386	S	S	.	.	S	Bend	trans	-68.1	-13.2	179.1	64.9	0	0	0	0	113.6	E778	T776-E778 PolarHBondContact O-N 3.48Å; T776-E778 WeakPolarHBondContact OG1-CB 3.45Å; T776-E778 WeakPolarHBondContact OG1-CG 3.31Å; T776-E778 PolarHBondContact OG1-N 3.33Å; T776-E778 PolarHBondContact OG1-OE2 3.23Å; T776-E778 VanDerWaalsContact OG1-OE2 3.07Å
777	G	51.6	Low	53.2	Low	51 Å²	51	73.4 Å²	73.4	53%	0.526	39%	0.393	S	S	.	.			trans	68.5	-1.8	-174.1	0	0	0	0	0	114.2	H775	H775-G777 PolarHBondContact O-N 3.19Å; H775-G777 VanDerWaalsContact O-N 3.15Å
778	E	52.5	Low	52.9	Low	124 Å²	124	76.1 Å²	76.1	58%	0.579	40%	0.4	S	S	*	.			trans	-65.4	140.6	-174.2	-69.9	176.6	138.1	0	0	112.2	T776 P780	T776-E778 PolarHBondContact O-N 3.48Å; T776-E778 WeakPolarHBondContact OG1-CB 3.45Å; T776-E778 WeakPolarHBondContact OG1-CG 3.31Å; T776-E778 PolarHBondContact OG1-N 3.33Å; T776-E778 PolarHBondContact OG1-OE2 3.23Å; T776-E778 VanDerWaalsContact OG1-OE2 3.07Å; E778-P780 VanDerWaalsContact C-CD 3.41Å; E778-P780 VanDerWaalsContact O-CD 3.25Å; E778-P780 WeakPolarHBondContact O-CD 3.26Å
779	K	53.9	Low	52.7	Low	123 Å²	123	77.7 Å²	77.7	54%	0.535	41%	0.412	S	S	.	.			trans	-119.4	71.8	177.5	-69.2	158.2	179	170.5	0	108.2	Y781 S789 F790 T791	K779-Y781 PolarHBondContact O-N 2.99Å; K779-S789 VanDerWaalsContact CB-CB 3.42Å; K779-S789 WeakPolarHBondContact CD-O 3.28Å; K779-S789 WeakPolarHBondContact O-CB 3.25Å; K779-F790 CarbonylContact C-O 3.11Å; K779-F790 VanDerWaalsContact C-O 3.3Å; K779-F790 WeakPolarHBondContact CA-O 3.39Å; K779-T791 HydrophobicContact CG-CG2 4.1Å
780	P	51.6	Low	53	Low	64 Å²	64	76.2 Å²	76.2	42%	0.416	40%	0.403	S	S	.	.			trans	-64.3	-5.7	-168.3	25.1	-36	0	0	0	114.6	E778	E778-P780 VanDerWaalsContact C-CD 3.41Å; E778-P780 VanDerWaalsContact O-CD 3.25Å; E778-P780 WeakPolarHBondContact O-CD 3.26Å
781	Y	59.2	Low	52.8	Low	63 Å²	63	73 Å²	73	25%	0.247	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	81.1	-179.2	-47.8	-42.3	0	0	0	110.6	K648 K779 F790 T791 R793	K648-Y781 PolarHBondContact NZ-OH 2.85Å; K779-Y781 PolarHBondContact O-N 2.99Å; Y781-F790 WeakPolarHBondContact CB-O 3.48Å; Y781-F790 WeakPolarHBondContact CD2-O 3.15Å; Y781-F790 PolarHBondContact N-O 2.86Å; Y781-F790 VanDerWaalsContact N-O 3.13Å; Y781-F790 WeakPolarHBondContact O-CD2 3.28Å; Y781-F790 PolarHBondContact O-N 2.85Å; Y781-T791 VanDerWaalsContact CE2-O 3.29Å; Y781-T791 WeakPolarHBondContact CE2-O 3.47Å; Y781-R793 HydrophobicContact CD2-CB 4.25Å; Y781-R793 VanDerWaalsContact CD2-N 3.26Å; Y781-R793 HydrophobicContact CE2-CB 4.19Å
782	H	56	Low	52.5	Low	94 Å²	94	75.1 Å²	75.1	44%	0.435	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	142.4	174.1	56.8	-100	0	0	0	112	L796	H782-L796 WeakPolarHBondContact O-CD2 3.32Å
783	C	56.7	Low	52.1	Low	4 Å²	4	73.8 Å²	73.8	3%	0.027	39%	0.394	C	S	.	.			trans	-92	115.5	164.9	179.8	0	0	0	0	109.1	E785 C786 G787 K788 F790 L796 H803	C783-E785 PolarHBondContact O-N 3.2Å; C783-E785 PolarHBondContact SG-OE2 2.9Å; C783-E785 VanDerWaalsContact SG-OE2 3.36Å; C783-C786 PolarHBondContact O-N 3.22Å; C783-G787 WeakPolarHBondContact O-CA 3.46Å; C783-G787 PolarHBondContact O-N 3.33Å; C783-K788 VanDerWaalsContact CB-O 3.26Å; C783-K788 WeakPolarHBondContact CB-O 3.31Å; C783-K788 PolarHBondContact N-O 3.31Å; C783-F790 HydrophobicContact CB-CE2 4.49Å; C783-L796 HydrophobicContact CB-CD1 3.67Å; C783-H803 PolarHBondContact SG-CD2 3.14Å; C783-H803 PolarHBondContact SG-NE2 3.23Å
784	K	54.7	Low	51.7	Low	172 Å²	172	75.8 Å²	75.8	75%	0.748	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-23.2	-178.2	-65.8	-170.1	176.5	-173.6	0	113
785	E	49	Very low	51.7	Low	106 Å²	106	72.6 Å²	72.6	50%	0.495	40%	0.397	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.3	-12.6	-174.8	-60.7	137.2	128.4	0	0	114.2	C783 H803	C783-E785 PolarHBondContact O-N 3.2Å; C783-E785 PolarHBondContact SG-OE2 2.9Å; C783-E785 VanDerWaalsContact SG-OE2 3.36Å; E785-H803 HydrophobicContact CB-CB 4.01Å; E785-H803 HydrophobicContact CG-CB 4.22Å; E785-H803 IonicContact OE2-CD2 3.23Å; E785-H803 IonicContact OE2-CG 3.24Å
786	C	53.9	Low	51.8	Low	55 Å²	55	70.5 Å²	70.5	37%	0.372	39%	0.388	S	S	.	.	T	Hydrogen-bonded Turn	trans	-156.4	16.2	175.2	72	0	0	0	0	116.1	C783 K788 H799 H803	C783-C786 PolarHBondContact O-N 3.22Å; C786-K788 PolarHBondContact O-N 2.97Å; C786-K788 VanDerWaalsContact SG-CD 3.58Å; C786-H799 VanDerWaalsContact SG-CE1 3.59Å; C786-H803 PolarHBondContact SG-CE1 2.85Å; C786-H803 PolarHBondContact SG-NE2 3.02Å
787	G	48.4	Very low	52	Low	59 Å²	59	70.7 Å²	70.7	61%	0.608	39%	0.385	S	S	*	.			trans	67.8	-2.2	177.4	0	0	0	0	0	116.3	C783 S789	C783-G787 WeakPolarHBondContact O-CA 3.46Å; C783-G787 PolarHBondContact O-N 3.33Å; G787-S789 PolarHBondContact O-N 3.26Å; G787-S789 PolarHBondContact O-OG 3.27Å
788	K	46	Very low	51.9	Low	110 Å²	110	73.6 Å²	73.6	48%	0.478	39%	0.385	S	S	.	.			trans	-70	125.9	178.6	-69.9	173.3	-165.4	156.9	0	110.8	C783 C786 F790 H799	C783-K788 VanDerWaalsContact CB-O 3.26Å; C783-K788 WeakPolarHBondContact CB-O 3.31Å; C783-K788 PolarHBondContact N-O 3.31Å; C786-K788 PolarHBondContact O-N 2.97Å; C786-K788 VanDerWaalsContact SG-CD 3.58Å; K788-F790 HydrophobicContact CB-CE2 4Å; K788-F790 HydrophobicContact CB-CZ 4.11Å; K788-F790 WeakPolarHBondContact O-CE2 3.41Å; K788-H799 WeakPolarHBondContact CD-NE2 3.25Å
789	S	50.2	Low	52	Low	46 Å²	46	68.7 Å²	68.7	32%	0.322	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	140.6	-174.2	-58.8	0	0	0	0	112.4	K779 G787	K779-S789 VanDerWaalsContact CB-CB 3.42Å; K779-S789 WeakPolarHBondContact CD-O 3.28Å; K779-S789 WeakPolarHBondContact O-CB 3.25Å; G787-S789 PolarHBondContact O-N 3.26Å; G787-S789 PolarHBondContact O-OG 3.27Å
790	F	60.8	Low	52.1	Low	44 Å²	44	67.1 Å²	67.1	19%	0.193	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	147.5	-172.9	-58.3	-89.6	0	0	0	112.4	K779 Y781 C783 K788 A795 L796 H799	K779-F790 CarbonylContact C-O 3.11Å; K779-F790 VanDerWaalsContact C-O 3.3Å; K779-F790 WeakPolarHBondContact CA-O 3.39Å; Y781-F790 WeakPolarHBondContact CB-O 3.48Å; Y781-F790 WeakPolarHBondContact CD2-O 3.15Å; Y781-F790 PolarHBondContact N-O 2.86Å; Y781-F790 VanDerWaalsContact N-O 3.13Å; Y781-F790 WeakPolarHBondContact O-CD2 3.28Å; Y781-F790 PolarHBondContact O-N 2.85Å; C783-F790 HydrophobicContact CB-CE2 4.49Å; K788-F790 HydrophobicContact CB-CE2 4Å; K788-F790 HydrophobicContact CB-CZ 4.11Å; K788-F790 WeakPolarHBondContact O-CE2 3.41Å; F790-A795 HydrophobicContact CB-CB 4.23Å; F790-A795 HydrophobicContact CD1-CB 3.83Å; F790-A795 HydrophobicContact CG-CB 4.26Å; F790-L796 HydrophobicContact CB-CB 4.4Å; F790-L796 HydrophobicContact CD2-CB 4Å; F790-L796 HydrophobicContact CD2-CD1 3.88Å; F790-L796 HydrophobicContact CE2-CD1 4.08Å; F790-L796 HydrophobicContact CG-CB 4.38Å; F790-H799 HydrophobicContact CE1-CB 4.35Å; F790-H799 HydrophobicContact CE2-CB 3.92Å; F790-H799 AromaticContact CE2-CG 3.63Å; F790-H799 AromaticContact CE2-ND1 3.7Å; F790-H799 HydrophobicContact CZ-CB 3.72Å; F790-H799 AromaticContact CZ-CD2 3.41Å; F790-H799 VanDerWaalsContact CZ-CD2 3.41Å; F790-H799 WeakPolarHBondContact CZ-CD2 3.18Å; F790-H799 AromaticContact CZ-CG 3.37Å; F790-H799 AromaticContact CZ-ND1 3.84Å; F790-H799 AromaticContact CZ-NE2 3.86Å
791	T	45.5	Very low	52.3	Low	50 Å²	50	66.1 Å²	66.1	31%	0.307	35%	0.346	S	S	.	.	S	Bend	trans	-79	-24.7	174.9	53.1	0	0	0	0	113.1	K779 Y781	K779-T791 HydrophobicContact CG-CG2 4.1Å; Y781-T791 VanDerWaalsContact CE2-O 3.29Å; Y781-T791 WeakPolarHBondContact CE2-O 3.47Å
792	L	53.4	Low	52.1	Low	65 Å²	65	67.6 Å²	67.6	34%	0.34	36%	0.361	S	S	.	.	S	Bend	trans	-122.1	135.8	-177.7	-67.4	175.5	0	0	0	111.9	Q770 S794 A795 L796	Q770-L792 HydrophobicContact CB-CD2 4.41Å; Q770-L792 HydrophobicContact CG-CD2 4.08Å; L792-S794 VanDerWaalsContact C-N 3.27Å; L792-S794 PolarHBondContact O-N 3.42Å; L792-A795 HydrophobicContact CB-CB 4.49Å; L792-A795 WeakPolarHBondContact O-CB 3.47Å; L792-A795 PolarHBondContact O-N 3.03Å; L792-A795 VanDerWaalsContact O-N 3.11Å; L792-L796 PolarHBondContact O-N 2.87Å
793	R	46	Very low	51.8	Low	57 Å²	57	66.1 Å²	66.1	22%	0.215	35%	0.354	C	S	.	.	H	α-helix	trans	-62.4	-35.8	-178.1	-168.7	-165.2	177.2	143.2	8.9	111.9	H659 Y781 A795 L796 I797	H659-R793 PolarHBondContact CE1-NH1 2.99Å; H659-R793 PolarHBondContact CE1-NH2 3.22Å; H659-R793 PolarHBondContact ND1-NH1 2.89Å; H659-R793 PolarHBondContact ND1-NH2 3.07Å; Y781-R793 HydrophobicContact CD2-CB 4.25Å; Y781-R793 VanDerWaalsContact CD2-N 3.26Å; Y781-R793 HydrophobicContact CE2-CB 4.19Å; R793-A795 VanDerWaalsContact C-N 3.3Å; R793-A795 PolarHBondContact O-N 2.83Å; R793-L796 PolarHBondContact O-N 3.33Å; R793-I797 HydrophobicContact CG-CD1 3.96Å; R793-I797 HydrophobicContact CG-CG1 4.49Å; R793-I797 WeakPolarHBondContact O-CG1 3.46Å; R793-I797 PolarHBondContact O-N 3.29Å
794	S	45.6	Very low	51.5	Low	69 Å²	69	69.8 Å²	69.8	48%	0.483	38%	0.377	S	S	.	.	H	α-helix	trans	-58.4	-40.5	175	42.7	0	0	0	0	112	L792 I797 Q798	L792-S794 VanDerWaalsContact C-N 3.27Å; L792-S794 PolarHBondContact O-N 3.42Å; S794-I797 PolarHBondContact O-N 3.07Å; S794-Q798 WeakPolarHBondContact O-CB 3.46Å; S794-Q798 WeakPolarHBondContact O-CG 3.46Å; S794-Q798 PolarHBondContact O-N 3.11Å
795	A	50.5	Low	51.3	Low	31 Å²	31	64 Å²	64	26%	0.256	37%	0.366	S	S	.	.	H	α-helix	trans	-66.9	-42.2	176.6	0	0	0	0	0	112.1	F790 L792 R793 I797 Q798 H799	F790-A795 HydrophobicContact CB-CB 4.23Å; F790-A795 HydrophobicContact CD1-CB 3.83Å; F790-A795 HydrophobicContact CG-CB 4.26Å; L792-A795 HydrophobicContact CB-CB 4.49Å; L792-A795 WeakPolarHBondContact O-CB 3.47Å; L792-A795 PolarHBondContact O-N 3.03Å; L792-A795 VanDerWaalsContact O-N 3.11Å; R793-A795 VanDerWaalsContact C-N 3.3Å; R793-A795 PolarHBondContact O-N 2.83Å; A795-I797 VanDerWaalsContact C-N 3.35Å; A795-I797 PolarHBondContact O-N 3Å; A795-Q798 CarbonylContact O-C 3.59Å; A795-Q798 PolarHBondContact O-N 3.4Å; A795-H799 VanDerWaalsContact O-CB 3.29Å; A795-H799 WeakPolarHBondContact O-CB 3.45Å; A795-H799 PolarHBondContact O-N 2.84Å
796	L	53.7	Low	51.4	Low	19 Å²	19	65.4 Å²	65.4	10%	0.099	37%	0.372	C	S	.	.	H	α-helix	trans	-63.5	-39.1	173.1	177.8	62.4	0	0	0	112	H782 C783 F790 L792 R793 H799 R800	H782-L796 WeakPolarHBondContact O-CD2 3.32Å; C783-L796 HydrophobicContact CB-CD1 3.67Å; F790-L796 HydrophobicContact CB-CB 4.4Å; F790-L796 HydrophobicContact CD2-CB 4Å; F790-L796 HydrophobicContact CD2-CD1 3.88Å; F790-L796 HydrophobicContact CE2-CD1 4.08Å; F790-L796 HydrophobicContact CG-CB 4.38Å; L792-L796 PolarHBondContact O-N 2.87Å; R793-L796 PolarHBondContact O-N 3.33Å; L796-H799 WeakPolarHBondContact O-CB 3.37Å; L796-H799 PolarHBondContact O-N 3.25Å; L796-H799 VanDerWaalsContact O-N 3.12Å; L796-R800 PolarHBondContact O-N 3.5Å
797	I	52.8	Low	50.9	Low	79 Å²	79	69.5 Å²	69.5	41%	0.405	38%	0.384	S	S	.	.	H	α-helix	trans	-66.4	-37.9	176.4	-70.8	166.3	0	0	0	111.1	R793 S794 A795 H799 P801	R793-I797 HydrophobicContact CG-CD1 3.96Å; R793-I797 HydrophobicContact CG-CG1 4.49Å; R793-I797 WeakPolarHBondContact O-CG1 3.46Å; R793-I797 PolarHBondContact O-N 3.29Å; S794-I797 PolarHBondContact O-N 3.07Å; A795-I797 VanDerWaalsContact C-N 3.35Å; A795-I797 PolarHBondContact O-N 3Å; I797-H799 PolarHBondContact O-N 3.25Å; I797-P801 WeakPolarHBondContact O-CD 3.16Å
798	Q	49.9	Very low	51	Low	111 Å²	111	75.5 Å²	75.5	52%	0.519	39%	0.388	S	S	.	.	H	α-helix	trans	-70.9	-18.7	171.9	-74.2	174.5	-22.8	0	0	113.3	S794 A795	S794-Q798 WeakPolarHBondContact O-CB 3.46Å; S794-Q798 WeakPolarHBondContact O-CG 3.46Å; S794-Q798 PolarHBondContact O-N 3.11Å; A795-Q798 CarbonylContact O-C 3.59Å; A795-Q798 PolarHBondContact O-N 3.4Å
799	H	54.9	Low	51.5	Low	22 Å²	22	74.4 Å²	74.4	10%	0.102	38%	0.382	C	S	.	.	H	α-helix	trans	-89.1	-33.5	179.2	-177.9	-98	0	0	0	113.7	C786 K788 F790 A795 L796 I797 P801 V802 H803	C786-H799 VanDerWaalsContact SG-CE1 3.59Å; K788-H799 WeakPolarHBondContact CD-NE2 3.25Å; F790-H799 HydrophobicContact CE1-CB 4.35Å; F790-H799 HydrophobicContact CE2-CB 3.92Å; F790-H799 AromaticContact CE2-CG 3.63Å; F790-H799 AromaticContact CE2-ND1 3.7Å; F790-H799 HydrophobicContact CZ-CB 3.72Å; F790-H799 AromaticContact CZ-CD2 3.41Å; F790-H799 VanDerWaalsContact CZ-CD2 3.41Å; F790-H799 WeakPolarHBondContact CZ-CD2 3.18Å; F790-H799 AromaticContact CZ-CG 3.37Å; F790-H799 AromaticContact CZ-ND1 3.84Å; F790-H799 AromaticContact CZ-NE2 3.86Å; A795-H799 VanDerWaalsContact O-CB 3.29Å; A795-H799 WeakPolarHBondContact O-CB 3.45Å; A795-H799 PolarHBondContact O-N 2.84Å; L796-H799 WeakPolarHBondContact O-CB 3.37Å; L796-H799 PolarHBondContact O-N 3.25Å; L796-H799 VanDerWaalsContact O-N 3.12Å; I797-H799 PolarHBondContact O-N 3.25Å; H799-P801 VanDerWaalsContact C-CD 3.42Å; H799-P801 VanDerWaalsContact C-N 3.31Å; H799-V802 WeakPolarHBondContact O-CB 3.2Å; H799-V802 VanDerWaalsContact O-CG2 3.24Å; H799-V802 WeakPolarHBondContact O-CG2 3.41Å; H799-V802 PolarHBondContact O-N 3.5Å; H799-H803 AromaticContact CE1-NE2 3.13Å; H799-H803 PolarHBondContact CE1-NE2 2.85Å; H799-H803 AromaticContact ND1-NE2 3.7Å
800	R	55.3	Low	51.1	Low	90 Å²	90	75.7 Å²	75.7	34%	0.34	39%	0.39	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48.7	-40.7	179.1	-79.5	177.9	173.9	-166.2	-6.4	114.8	L796 V802 H803	L796-R800 PolarHBondContact O-N 3.5Å; R800-V802 PolarHBondContact O-N 2.89Å; R800-H803 PolarHBondContact O-N 3.16Å
801	P	55.7	Low	51	Low	42 Å²	42	73.6 Å²	73.6	27%	0.273	38%	0.382	S	S	.	.	H	α-helix	trans	-62.3	-8.2	176	-25.5	36.8	0	0	0	115.9	I797 H799 H803 T819	I797-P801 WeakPolarHBondContact O-CD 3.16Å; H799-P801 VanDerWaalsContact C-CD 3.42Å; H799-P801 VanDerWaalsContact C-N 3.31Å; P801-H803 VanDerWaalsContact C-N 3.28Å; P801-T819 HydrophobicContact CB-CG2 3.9Å; P801-T819 HydrophobicContact CG-CG2 3.82Å
802	V	53.9	Low	51.5	Low	94 Å²	94	81.2 Å²	81.2	57%	0.57	41%	0.41	S	S	*	.	H	α-helix	trans	-72.4	-22.2	172.5	179.9	0	0	0	0	111.7	H799 R800	H799-V802 WeakPolarHBondContact O-CB 3.2Å; H799-V802 VanDerWaalsContact O-CG2 3.24Å; H799-V802 WeakPolarHBondContact O-CG2 3.41Å; H799-V802 PolarHBondContact O-N 3.5Å; R800-V802 PolarHBondContact O-N 2.89Å
803	H	51.2	Low	51.5	Low	63 Å²	63	83.4 Å²	83.4	29%	0.292	42%	0.419	S	S	.	.	H	α-helix	trans	-99.2	-38.1	-178.3	-61.2	-60.5	0	0	0	113.4	C783 E785 C786 H799 R800 P801	C783-H803 PolarHBondContact SG-CD2 3.14Å; C783-H803 PolarHBondContact SG-NE2 3.23Å; E785-H803 HydrophobicContact CB-CB 4.01Å; E785-H803 HydrophobicContact CG-CB 4.22Å; E785-H803 IonicContact OE2-CD2 3.23Å; E785-H803 IonicContact OE2-CG 3.24Å; C786-H803 PolarHBondContact SG-CE1 2.85Å; C786-H803 PolarHBondContact SG-NE2 3.02Å; H799-H803 AromaticContact CE1-NE2 3.13Å; H799-H803 PolarHBondContact CE1-NE2 2.85Å; H799-H803 AromaticContact ND1-NE2 3.7Å; R800-H803 PolarHBondContact O-N 3.16Å; P801-H803 VanDerWaalsContact C-N 3.28Å
804	T	48.9	Very low	52.1	Low	81 Å²	81	83 Å²	83	50%	0.497	43%	0.425	S	S	.	.	H	α-helix	trans	-82.9	-11.1	-178	62.8	0	0	0	0	114	E806	T804-E806 PolarHBondContact O-N 3.08Å; T804-E806 PolarHBondContact OG1-N 2.96Å
805	G	51.3	Low	52.2	Low	50 Å²	50	82.1 Å²	82.1	52%	0.515	43%	0.426	S	S	.	.			trans	67.3	0.4	-174.5	0	0	0	0	0	115	K807	G805-K807 WeakPolarHBondContact O-CG 3.44Å; G805-K807 PolarHBondContact O-N 3.07Å
806	E	51	Low	52	Low	136 Å²	136	86.6 Å²	86.6	64%	0.636	44%	0.44	S	S	*	.			trans	-72.3	87.9	-174.5	-72.1	-160.8	134.3	0	0	113.1	T804 R808	T804-E806 PolarHBondContact O-N 3.08Å; T804-E806 PolarHBondContact OG1-N 2.96Å; E806-R808 VanDerWaalsContact C-N 3.33Å; E806-R808 PolarHBondContact O-N 3.27Å
807	K	43	Very low	51.7	Low	141 Å²	141	87.5 Å²	87.5	61%	0.613	45%	0.447	S	S	*	.			trans	-77.9	68.1	-177.9	-74.2	168.2	161.6	-173.9	0	112.9	G805 Y809 S817	G805-K807 WeakPolarHBondContact O-CG 3.44Å; G805-K807 PolarHBondContact O-N 3.07Å; K807-Y809 PolarHBondContact O-N 3.03Å; K807-S817 WeakPolarHBondContact CD-OG 3.32Å; K807-S817 VanDerWaalsContact CG-CB 3.4Å
808	R	51.5	Low	52.1	Low	186 Å²	186	85.9 Å²	85.9	70%	0.702	44%	0.437	S	S	*	.	S	Bend	trans	-60.3	-19.3	-170.7	-148.7	177.2	-153.3	125.9	16.7	116.5	E806	E806-R808 VanDerWaalsContact C-N 3.33Å; E806-R808 PolarHBondContact O-N 3.27Å
809	Y	56.5	Low	52	Low	87 Å²	87	83.9 Å²	83.9	34%	0.341	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	96.8	174.1	-61.4	-75.5	0	0	0	110.3	K807 S817 F818 R821	K807-Y809 PolarHBondContact O-N 3.03Å; Y809-S817 CarbonylContact O-C 3.23Å; Y809-S817 WeakPolarHBondContact O-CA 3.19Å; Y809-F818 PolarHBondContact N-O 3.01Å; Y809-F818 PolarHBondContact O-N 3.24Å; Y809-R821 HydrophobicContact CD1-CB 4.06Å; Y809-R821 HydrophobicContact CE1-CB 3.79Å; Y809-R821 HydrophobicContact CE1-CG 4.39Å; Y809-R821 HydrophobicContact CE2-CB 4.48Å
810	S	40.8	Very low	51.7	Low	72 Å²	72	84.1 Å²	84.1	50%	0.503	44%	0.437	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	145	178	52.8	0	0	0	0	112.4
811	C	59.1	Low	51.6	Low	1 Å²	1	88 Å²	88	1%	0.007	45%	0.452	C	S	.	.			trans	-91.7	112.5	172.5	-164.1	0	0	0	0	109.4	E813 C814 G815 K816 F818 L824 H827 H831	C811-E813 PolarHBondContact O-N 3.23Å; C811-C814 PolarHBondContact O-N 3.3Å; C811-G815 PolarHBondContact O-N 3.05Å; C811-K816 WeakPolarHBondContact CB-O 3.13Å; C811-K816 PolarHBondContact N-O 2.84Å; C811-F818 HydrophobicContact CB-CE2 4.24Å; C811-L824 HydrophobicContact CB-CD1 3.62Å; C811-H827 VanDerWaalsContact SG-CD2 3.59Å; C811-H831 PolarHBondContact SG-CD2 3.13Å; C811-H831 PolarHBondContact SG-NE2 3.36Å
812	K	56.1	Low	51.5	Low	209 Å²	209	89.9 Å²	89.9	91%	0.909	47%	0.466	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57	-37.1	-176	-67.1	-169.5	176.2	-171.8	0	112.9	C814	K812-C814 VanDerWaalsContact C-N 3.34Å; K812-C814 PolarHBondContact O-N 2.88Å
813	E	53.4	Low	51.9	Low	112 Å²	112	87.7 Å²	87.7	52%	0.523	45%	0.453	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-15.9	-174.6	-62	152.1	121.3	0	0	114.9	C811 H831	C811-E813 PolarHBondContact O-N 3.23Å; E813-H831 IonicContact OE2-CD2 3.58Å; E813-H831 PolarHBondContact OE2-CD2 3.03Å; E813-H831 VanDerWaalsContact OE2-CD2 3.3Å; E813-H831 IonicContact OE2-CG 3.87Å
814	C	58.1	Low	52.7	Low	49 Å²	49	85.6 Å²	85.6	33%	0.331	44%	0.444	S	S	.	.	T	Hydrogen-bonded Turn	trans	-152.4	10.7	-177.4	75.6	0	0	0	0	116.2	C811 K812 K816 H827 H831	C811-C814 PolarHBondContact O-N 3.3Å; K812-C814 VanDerWaalsContact C-N 3.34Å; K812-C814 PolarHBondContact O-N 2.88Å; C814-K816 PolarHBondContact O-N 3.46Å; C814-H827 PolarHBondContact SG-NE2 3.28Å; C814-H831 PolarHBondContact SG-CE1 3.3Å; C814-H831 PolarHBondContact SG-NE2 2.9Å
815	G	48	Very low	53.5	Low	50 Å²	50	85.4 Å²	85.4	52%	0.515	44%	0.439	S	S	.	.			trans	67	-10.8	178.6	0	0	0	0	0	116.5	C811 S817	C811-G815 PolarHBondContact O-N 3.05Å; G815-S817 PolarHBondContact O-OG 3.42Å; G815-S817 VanDerWaalsContact O-OG 3.09Å
816	K	46.3	Very low	54	Low	125 Å²	125	86.8 Å²	86.8	54%	0.543	43%	0.432	S	S	.	.			trans	-62	146.3	177.2	-66.7	172.4	-170.8	159.9	0	110.1	C811 C814 F818	C811-K816 WeakPolarHBondContact CB-O 3.13Å; C811-K816 PolarHBondContact N-O 2.84Å; C814-K816 PolarHBondContact O-N 3.46Å; K816-F818 VanDerWaalsContact C-CE2 3.45Å; K816-F818 HydrophobicContact CB-CE2 3.83Å; K816-F818 HydrophobicContact CB-CZ 3.86Å; K816-F818 WeakPolarHBondContact O-CE2 3.29Å
817	S	47.1	Very low	54.9	Low	37 Å²	37	81.1 Å²	81.1	26%	0.259	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	145.3	-165.7	-57	0	0	0	0	112.1	K807 Y809 G815	K807-S817 WeakPolarHBondContact CD-OG 3.32Å; K807-S817 VanDerWaalsContact CG-CB 3.4Å; Y809-S817 CarbonylContact O-C 3.23Å; Y809-S817 WeakPolarHBondContact O-CA 3.19Å; G815-S817 PolarHBondContact O-OG 3.42Å; G815-S817 VanDerWaalsContact O-OG 3.09Å
818	F	61.2	Low	56	Low	45 Å²	45	77.7 Å²	77.7	20%	0.197	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	150	-160.6	-60.3	-84.3	0	0	0	111.4	Y809 C811 K816 L824 H827	Y809-F818 PolarHBondContact N-O 3.01Å; Y809-F818 PolarHBondContact O-N 3.24Å; C811-F818 HydrophobicContact CB-CE2 4.24Å; K816-F818 VanDerWaalsContact C-CE2 3.45Å; K816-F818 HydrophobicContact CB-CE2 3.83Å; K816-F818 HydrophobicContact CB-CZ 3.86Å; K816-F818 WeakPolarHBondContact O-CE2 3.29Å; F818-L824 HydrophobicContact CB-CB 4.18Å; F818-L824 HydrophobicContact CD2-CB 4.19Å; F818-L824 HydrophobicContact CD2-CD1 3.78Å; F818-L824 HydrophobicContact CE2-CD1 4.2Å; F818-L824 HydrophobicContact CG-CB 4.33Å; F818-H827 HydrophobicContact CD1-CB 4.42Å; F818-H827 HydrophobicContact CE1-CB 3.81Å; F818-H827 AromaticContact CE1-CG 3.85Å; F818-H827 HydrophobicContact CE2-CB 3.96Å; F818-H827 AromaticContact CE2-CD2 3.14Å; F818-H827 WeakPolarHBondContact CE2-CD2 3.44Å; F818-H827 AromaticContact CE2-CG 3.56Å; F818-H827 AromaticContact CE2-NE2 3.79Å; F818-H827 HydrophobicContact CZ-CB 3.57Å; F818-H827 AromaticContact CZ-CD2 3.2Å; F818-H827 WeakPolarHBondContact CZ-CD2 3.27Å; F818-H827 AromaticContact CZ-CE1 3.94Å; F818-H827 AromaticContact CZ-CG 3.14Å; F818-H827 AromaticContact CZ-ND1 3.64Å; F818-H827 AromaticContact CZ-NE2 3.69Å
819	T	47.4	Very low	57.1	Low	70 Å²	70	71.5 Å²	71.5	43%	0.429	37%	0.368	S	S	.	.	S	Bend	trans	-89.6	-5.5	-176.7	56.4	0	0	0	0	113.2	P801	P801-T819 HydrophobicContact CB-CG2 3.9Å; P801-T819 HydrophobicContact CG-CG2 3.82Å
820	S	50.6	Low	57.3	Low	27 Å²	27	72.3 Å²	72.3	19%	0.189	38%	0.377	C	S	.	.	S	Bend	trans	-142.9	150.2	169.7	75.9	0	0	0	0	112.5	S822 T823 L824	S820-S822 PolarHBondContact O-N 3.3Å; S820-S822 PolarHBondContact OG-OG 3.04Å; S820-T823 PolarHBondContact N-OG1 3.25Å; S820-T823 PolarHBondContact O-N 2.77Å; S820-T823 VanDerWaalsContact O-N 3.17Å; S820-T823 PolarHBondContact O-OG1 3.41Å; S820-T823 PolarHBondContact OG-N 3.17Å; S820-T823 VanDerWaalsContact OG-N 3.1Å; S820-T823 PolarHBondContact OG-OG1 2.88Å; S820-L824 PolarHBondContact O-N 3.08Å
821	R	52	Low	58.4	Low	171 Å²	171	71.9 Å²	71.9	65%	0.645	37%	0.368	S	S	*	.	H	α-helix	trans	-59.6	-33.6	173.1	-174	171.1	176.6	161.8	-1.5	112.5	Y809 L824 I825	Y809-R821 HydrophobicContact CD1-CB 4.06Å; Y809-R821 HydrophobicContact CE1-CB 3.79Å; Y809-R821 HydrophobicContact CE1-CG 4.39Å; Y809-R821 HydrophobicContact CE2-CB 4.48Å; R821-L824 PolarHBondContact O-N 3.41Å; R821-I825 HydrophobicContact CG-CD1 3.93Å; R821-I825 HydrophobicContact CG-CG1 4.47Å; R821-I825 VanDerWaalsContact O-CG1 3.3Å; R821-I825 WeakPolarHBondContact O-CG1 3.37Å; R821-I825 PolarHBondContact O-N 3.38Å
822	S	53.8	Low	58.5	Low	82 Å²	82	75.3 Å²	75.3	57%	0.573	39%	0.389	S	S	*	.	H	α-helix	trans	-65.1	-38.1	175.8	48.9	0	0	0	0	113.2	S820 E826	S820-S822 PolarHBondContact O-N 3.3Å; S820-S822 PolarHBondContact OG-OG 3.04Å; S822-E826 WeakPolarHBondContact O-CB 3.42Å; S822-E826 PolarHBondContact O-N 2.9Å
823	T	62.3	Low	58.9	Low	48 Å²	48	67.3 Å²	67.3	29%	0.294	37%	0.365	S	S	.	.	H	α-helix	trans	-78.7	-26.9	176.5	49.5	0	0	0	0	112.5	S820 H827	S820-T823 PolarHBondContact N-OG1 3.25Å; S820-T823 PolarHBondContact O-N 2.77Å; S820-T823 VanDerWaalsContact O-N 3.17Å; S820-T823 PolarHBondContact O-OG1 3.41Å; S820-T823 PolarHBondContact OG-N 3.17Å; S820-T823 VanDerWaalsContact OG-N 3.1Å; S820-T823 PolarHBondContact OG-OG1 2.88Å; T823-H827 VanDerWaalsContact O-CB 3.22Å; T823-H827 WeakPolarHBondContact O-CB 3.4Å; T823-H827 PolarHBondContact O-N 3.34Å
824	L	67.7	Low	59.4	Low	19 Å²	19	66.4 Å²	66.4	10%	0.099	36%	0.361	C	S	.	.	H	α-helix	trans	-64.4	-49.4	165.8	175	60.4	0	0	0	111.5	C811 F818 S820 R821 E826 H827 Q828	C811-L824 HydrophobicContact CB-CD1 3.62Å; F818-L824 HydrophobicContact CB-CB 4.18Å; F818-L824 HydrophobicContact CD2-CB 4.19Å; F818-L824 HydrophobicContact CD2-CD1 3.78Å; F818-L824 HydrophobicContact CE2-CD1 4.2Å; F818-L824 HydrophobicContact CG-CB 4.33Å; S820-L824 PolarHBondContact O-N 3.08Å; R821-L824 PolarHBondContact O-N 3.41Å; L824-E826 VanDerWaalsContact C-N 3.32Å; L824-E826 PolarHBondContact O-N 3.35Å; L824-H827 CarbonylContact O-C 3.53Å; L824-H827 WeakPolarHBondContact O-CA 3.47Å; L824-H827 WeakPolarHBondContact O-CB 3.45Å; L824-H827 PolarHBondContact O-N 3.31Å; L824-Q828 HydrophobicContact CD1-CG 3.99Å; L824-Q828 HydrophobicContact CG-CG 4.38Å; L824-Q828 WeakPolarHBondContact O-CG 3.23Å; L824-Q828 PolarHBondContact O-N 3.28Å
825	I	65.9	Low	59.9	Low	76 Å²	76	70.2 Å²	70.2	39%	0.39	37%	0.372	S	S	.	.	H	α-helix	trans	-62.5	-39.1	178.7	-68.6	165.5	0	0	0	111.3	R821 H827	R821-I825 HydrophobicContact CG-CD1 3.93Å; R821-I825 HydrophobicContact CG-CG1 4.47Å; R821-I825 VanDerWaalsContact O-CG1 3.3Å; R821-I825 WeakPolarHBondContact O-CG1 3.37Å; R821-I825 PolarHBondContact O-N 3.38Å; I825-H827 VanDerWaalsContact C-N 3.31Å
826	E	62.6	Low	60.8	Low	80 Å²	80	70.7 Å²	70.7	37%	0.374	37%	0.366	S	S	.	.	H	α-helix	trans	-64.8	-35.8	172.8	-171.6	166.6	-142.3	0	0	111.9	S822 L824 F848	S822-E826 WeakPolarHBondContact O-CB 3.42Å; S822-E826 PolarHBondContact O-N 2.9Å; L824-E826 VanDerWaalsContact C-N 3.32Å; L824-E826 PolarHBondContact O-N 3.35Å; E826-F848 HydrophobicContact CG-CD1 3.41Å; E826-F848 VanDerWaalsContact CG-CD1 3.41Å; E826-F848 HydrophobicContact CG-CE1 3.48Å; E826-F848 VanDerWaalsContact CG-CE1 3.48Å; E826-F848 HydrophobicContact CG-CG 4.49Å; E826-F848 WeakPolarHBondContact O-CE1 3.43Å; E826-F848 VanDerWaalsContact OE1-CD1 3.29Å; E826-F848 WeakPolarHBondContact OE1-CD1 3.31Å
827	H	69.4	Low	62.1	Low	17 Å²	17	68.3 Å²	68.3	8%	0.079	35%	0.354	C	S	.	.	H	α-helix	trans	-71.7	-38.1	175.8	172.9	61	0	0	0	114	C811 C814 F818 T823 L824 I825 R829 I830 H831	C811-H827 VanDerWaalsContact SG-CD2 3.59Å; C814-H827 PolarHBondContact SG-NE2 3.28Å; F818-H827 HydrophobicContact CD1-CB 4.42Å; F818-H827 HydrophobicContact CE1-CB 3.81Å; F818-H827 AromaticContact CE1-CG 3.85Å; F818-H827 HydrophobicContact CE2-CB 3.96Å; F818-H827 AromaticContact CE2-CD2 3.14Å; F818-H827 WeakPolarHBondContact CE2-CD2 3.44Å; F818-H827 AromaticContact CE2-CG 3.56Å; F818-H827 AromaticContact CE2-NE2 3.79Å; F818-H827 HydrophobicContact CZ-CB 3.57Å; F818-H827 AromaticContact CZ-CD2 3.2Å; F818-H827 WeakPolarHBondContact CZ-CD2 3.27Å; F818-H827 AromaticContact CZ-CE1 3.94Å; F818-H827 AromaticContact CZ-CG 3.14Å; F818-H827 AromaticContact CZ-ND1 3.64Å; F818-H827 AromaticContact CZ-NE2 3.69Å; T823-H827 VanDerWaalsContact O-CB 3.22Å; T823-H827 WeakPolarHBondContact O-CB 3.4Å; T823-H827 PolarHBondContact O-N 3.34Å; L824-H827 CarbonylContact O-C 3.53Å; L824-H827 WeakPolarHBondContact O-CA 3.47Å; L824-H827 WeakPolarHBondContact O-CB 3.45Å; L824-H827 PolarHBondContact O-N 3.31Å; I825-H827 VanDerWaalsContact C-N 3.31Å; H827-R829 PolarHBondContact O-N 2.82Å; H827-I830 VanDerWaalsContact O-CB 3.22Å; H827-I830 WeakPolarHBondContact O-CB 3.2Å; H827-I830 WeakPolarHBondContact O-CG1 3.33Å; H827-I830 PolarHBondContact O-N 3.27Å; H827-H831 AromaticContact CD2-NE2 3.68Å; H827-H831 AromaticContact CE1-CE1 3.67Å; H827-H831 AromaticContact CE1-NE2 3.46Å; H827-H831 PolarHBondContact CE1-NE2 3.34Å; H827-H831 AromaticContact NE2-CE1 3.59Å; H827-H831 AromaticContact NE2-NE2 2.99Å; H827-H831 PolarHBondContact NE2-NE2 3.24Å
828	Q	65.9	Low	63.2	Low	69 Å²	69	71.6 Å²	71.6	32%	0.322	37%	0.365	S	S	.	.	H	α-helix	trans	-60.4	-27.9	-178.5	-75	176	-80.2	0	0	112.6	L824 I830 H831 T832	L824-Q828 HydrophobicContact CD1-CG 3.99Å; L824-Q828 HydrophobicContact CG-CG 4.38Å; L824-Q828 WeakPolarHBondContact O-CG 3.23Å; L824-Q828 PolarHBondContact O-N 3.28Å; Q828-I830 PolarHBondContact O-N 2.98Å; Q828-I830 VanDerWaalsContact O-N 3.08Å; Q828-H831 PolarHBondContact O-N 3.42Å; Q828-T832 PolarHBondContact O-N 2.95Å
829	R	73.8	Confident	63.7	Low	55 Å²	55	69.5 Å²	69.5	21%	0.208	36%	0.356	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-13	171.8	-62.2	174.5	178.5	-174.2	-1.8	114.7	H827 G833 E834 A847	H827-R829 PolarHBondContact O-N 2.82Å; R829-G833 CarbonylContact O-C 3.25Å; R829-G833 PolarHBondContact O-N 2.85Å; R829-E834 HydrophobicContact CB-CB 4.16Å; R829-E834 HydrophobicContact CG-CB 4.02Å; R829-E834 IonicContact NE-OE2 3.22Å; R829-E834 PolarHBondContact O-N 3.04Å; R829-A847 HydrophobicContact CB-CB 4.36Å; R829-A847 PolarHBondContact NH1-O 2.58Å
830	I	61.8	Low	64.6	Low	104 Å²	104	74.2 Å²	74.2	53%	0.533	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.1	-29.2	171.7	-56.7	-178.6	0	0	0	110.6	H827 Q828 F848	H827-I830 VanDerWaalsContact O-CB 3.22Å; H827-I830 WeakPolarHBondContact O-CB 3.2Å; H827-I830 WeakPolarHBondContact O-CG1 3.33Å; H827-I830 PolarHBondContact O-N 3.27Å; Q828-I830 PolarHBondContact O-N 2.98Å; Q828-I830 VanDerWaalsContact O-N 3.08Å; I830-F848 HydrophobicContact CD1-CZ 4.39Å; I830-F848 HydrophobicContact CG1-CZ 4.34Å
831	H	64	Low	65.5	Low	64 Å²	64	77.2 Å²	77.2	30%	0.296	38%	0.382	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.6	-46.2	178	-45.9	-48.8	0	0	0	111.4	C811 E813 C814 H827 Q828 G833	C811-H831 PolarHBondContact SG-CD2 3.13Å; C811-H831 PolarHBondContact SG-NE2 3.36Å; E813-H831 IonicContact OE2-CD2 3.58Å; E813-H831 PolarHBondContact OE2-CD2 3.03Å; E813-H831 VanDerWaalsContact OE2-CD2 3.3Å; E813-H831 IonicContact OE2-CG 3.87Å; C814-H831 PolarHBondContact SG-CE1 3.3Å; C814-H831 PolarHBondContact SG-NE2 2.9Å; H827-H831 AromaticContact CD2-NE2 3.68Å; H827-H831 AromaticContact CE1-CE1 3.67Å; H827-H831 AromaticContact CE1-NE2 3.46Å; H827-H831 PolarHBondContact CE1-NE2 3.34Å; H827-H831 AromaticContact NE2-CE1 3.59Å; H827-H831 AromaticContact NE2-NE2 2.99Å; H827-H831 PolarHBondContact NE2-NE2 3.24Å; Q828-H831 PolarHBondContact O-N 3.42Å; H831-G833 PolarHBondContact O-N 3.33Å; H831-G833 VanDerWaalsContact O-N 3.16Å
832	T	61.7	Low	66.6	Low	73 Å²	73	71.3 Å²	71.3	45%	0.448	37%	0.366	S	S	.	.	S	Bend	trans	-70.2	-8	175.3	70.1	0	0	0	0	113.3	Q828 E834	Q828-T832 PolarHBondContact O-N 2.95Å; T832-E834 PolarHBondContact O-N 3.03Å; T832-E834 WeakPolarHBondContact OG1-CG 3.27Å; T832-E834 PolarHBondContact OG1-OE1 3.4Å
833	G	64.1	Low	67.3	Low	41 Å²	41	70.1 Å²	70.1	42%	0.423	37%	0.367	S	S	.	.			trans	69	-0.6	180	0	0	0	0	0	115.1	R829 H831 K835	R829-G833 CarbonylContact O-C 3.25Å; R829-G833 PolarHBondContact O-N 2.85Å; H831-G833 PolarHBondContact O-N 3.33Å; H831-G833 VanDerWaalsContact O-N 3.16Å; G833-K835 PolarHBondContact O-N 3.37Å
834	E	63	Low	67.6	Low	92 Å²	92	74.1 Å²	74.1	43%	0.43	38%	0.38	S	S	.	.			trans	-52.6	129	-175.9	-86.9	172.9	-125.5	0	0	113	R829 T832 P836 A847	R829-E834 HydrophobicContact CB-CB 4.16Å; R829-E834 HydrophobicContact CG-CB 4.02Å; R829-E834 IonicContact NE-OE2 3.22Å; R829-E834 PolarHBondContact O-N 3.04Å; T832-E834 PolarHBondContact O-N 3.03Å; T832-E834 WeakPolarHBondContact OG1-CG 3.27Å; T832-E834 PolarHBondContact OG1-OE1 3.4Å; E834-P836 HydrophobicContact CB-CG 4.42Å; E834-A847 WeakPolarHBondContact O-CB 3.35Å
835	K	69.3	Low	67.7	Low	129 Å²	129	75.8 Å²	75.8	56%	0.561	39%	0.393	S	S	*	.			trans	-127.1	67.5	176.9	-70.6	155.1	-170.1	160.2	0	110.8	G833 Y837 F846	G833-K835 PolarHBondContact O-N 3.37Å; K835-Y837 PolarHBondContact O-N 3.36Å; K835-F846 CarbonylContact C-O 3.56Å; K835-F846 VanDerWaalsContact C-O 3.23Å; K835-F846 WeakPolarHBondContact CA-O 3.39Å
836	P	67.5	Low	68.2	Low	61 Å²	61	74.5 Å²	74.5	40%	0.396	39%	0.385	S	S	.	.			trans	-65.8	-14.9	-168.6	-21.7	35.4	0	0	0	114.5	E834	E834-P836 HydrophobicContact CB-CG 4.42Å
837	Y	71.9	Confident	68.2	Low	75 Å²	75	71.5 Å²	71.5	29%	0.294	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	91.3	-175.4	-53.2	-73	0	0	0	111.3	K835 S845 F846 A847 R849 I852	K835-Y837 PolarHBondContact O-N 3.36Å; Y837-S845 WeakPolarHBondContact O-CA 3.29Å; Y837-F846 WeakPolarHBondContact CB-O 3.44Å; Y837-F846 WeakPolarHBondContact CD2-O 3.42Å; Y837-F846 PolarHBondContact N-O 3.18Å; Y837-F846 VanDerWaalsContact N-O 3.09Å; Y837-F846 PolarHBondContact O-N 3.03Å; Y837-A847 WeakPolarHBondContact CE2-O 3.46Å; Y837-R849 HydrophobicContact CD1-CB 4.25Å; Y837-R849 HydrophobicContact CD1-CG 4.43Å; Y837-R849 HydrophobicContact CD2-CB 4.46Å; Y837-R849 HydrophobicContact CE1-CB 3.9Å; Y837-R849 HydrophobicContact CE1-CG 4.21Å; Y837-R849 HydrophobicContact CE2-CB 4.11Å; Y837-R849 VanDerWaalsContact CE2-N 3.3Å; Y837-I852 HydrophobicContact CG-CG2 4.33Å
838	H	71.3	Confident	68.3	Low	106 Å²	106	73.7 Å²	73.7	49%	0.491	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	136.6	177.8	59.5	-97.1	0	0	0	112.7	I852	H838-I852 VanDerWaalsContact C-CD1 3.47Å; H838-I852 WeakPolarHBondContact O-CD1 3.36Å
839	C	71.7	Confident	68.4	Low	0 Å²	0	78.6 Å²	78.6	0%	0	40%	0.399	C	S	.	.			trans	-85.7	110.2	172.6	-173.1	0	0	0	0	110.6	E841 C842 G843 K844 F846 I852 H859	C839-E841 PolarHBondContact O-N 2.9Å; C839-C842 PolarHBondContact O-N 3.4Å; C839-C842 VanDerWaalsContact O-N 3.17Å; C839-G843 WeakPolarHBondContact O-CA 3.45Å; C839-G843 PolarHBondContact O-N 2.85Å; C839-K844 VanDerWaalsContact CB-O 3.26Å; C839-K844 WeakPolarHBondContact CB-O 3.42Å; C839-K844 PolarHBondContact N-O 2.81Å; C839-F846 HydrophobicContact CB-CE2 4.37Å; C839-I852 HydrophobicContact CB-CD1 4.41Å; C839-H859 PolarHBondContact SG-NE2 3.29Å; C839-H859 VanDerWaalsContact SG-NE2 3.41Å
840	K	66.6	Low	68	Low	169 Å²	169	79.8 Å²	79.8	74%	0.735	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-28.9	-179.3	-66.4	-164.7	173.8	-165.7	0	113.9
841	E	68.6	Low	68.3	Low	90 Å²	90	76 Å²	76	42%	0.421	40%	0.4	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.5	-13.8	178.8	-64.6	103.1	-101	0	0	115.3	C839 R856 H859	C839-E841 PolarHBondContact O-N 2.9Å; E841-R856 IonicContact OE1-CZ 3.41Å; E841-R856 VanDerWaalsContact OE1-CZ 3.23Å; E841-R856 IonicContact OE1-NH1 2.71Å; E841-R856 PolarHBondContact OE1-NH1 2.91Å; E841-R856 IonicContact OE1-NH2 3.57Å; E841-R856 PolarHBondContact OE1-NH2 3.28Å; E841-R856 IonicContact OE2-NH1 3.56Å; E841-R856 PolarHBondContact OE2-NH1 3.34Å; E841-H859 IonicContact OE2-CD2 3.84Å; E841-H859 PolarHBondContact OE2-CD2 3.45Å
842	C	75.2	Confident	68.9	Low	48 Å²	48	73.8 Å²	73.8	32%	0.324	39%	0.39	S	S	.	.	T	Hydrogen-bonded Turn	trans	-156.1	12.1	-175.1	73.3	0	0	0	0	116.2	C839 K844 H855 H859	C839-C842 PolarHBondContact O-N 3.4Å; C839-C842 VanDerWaalsContact O-N 3.17Å; C842-K844 PolarHBondContact O-N 2.85Å; C842-H855 PolarHBondContact SG-NE2 3.42Å; C842-H859 VanDerWaalsContact SG-CE1 3.56Å; C842-H859 PolarHBondContact SG-NE2 3.03Å
843	G	68.9	Low	69.3	Low	57 Å²	57	74.4 Å²	74.4	59%	0.588	39%	0.39	S	S	*	.			trans	68.2	-11.8	-179	0	0	0	0	0	116.1	C839 S845	C839-G843 WeakPolarHBondContact O-CA 3.45Å; C839-G843 PolarHBondContact O-N 2.85Å; G843-S845 PolarHBondContact O-N 2.92Å; G843-S845 PolarHBondContact O-OG 3.27Å
844	K	69	Low	69.4	Low	132 Å²	132	76.4 Å²	76.4	57%	0.574	39%	0.388	S	S	*	.			trans	-67.8	125.4	-174.1	-69.7	173.7	-178.4	171	0	111.2	C839 C842 F846	C839-K844 VanDerWaalsContact CB-O 3.26Å; C839-K844 WeakPolarHBondContact CB-O 3.42Å; C839-K844 PolarHBondContact N-O 2.81Å; C842-K844 PolarHBondContact O-N 2.85Å; K844-F846 HydrophobicContact CB-CE2 3.99Å; K844-F846 HydrophobicContact CB-CZ 4.08Å; K844-F846 WeakPolarHBondContact O-CD2 3.31Å; K844-F846 WeakPolarHBondContact O-CE2 3.42Å
845	S	68.5	Low	70	Confident	53 Å²	53	73 Å²	73	37%	0.371	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	141	-173.1	-62.5	0	0	0	0	112.4	Y837 G843	Y837-S845 WeakPolarHBondContact O-CA 3.29Å; G843-S845 PolarHBondContact O-N 2.92Å; G843-S845 PolarHBondContact O-OG 3.27Å
846	F	76.8	Confident	70.1	Confident	49 Å²	49	70.8 Å²	70.8	22%	0.215	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	143.9	-171.6	-59.3	-87.9	0	0	0	111.7	K835 Y837 C839 K844 F848 A851 I852 H855	K835-F846 CarbonylContact C-O 3.56Å; K835-F846 VanDerWaalsContact C-O 3.23Å; K835-F846 WeakPolarHBondContact CA-O 3.39Å; Y837-F846 WeakPolarHBondContact CB-O 3.44Å; Y837-F846 WeakPolarHBondContact CD2-O 3.42Å; Y837-F846 PolarHBondContact N-O 3.18Å; Y837-F846 VanDerWaalsContact N-O 3.09Å; Y837-F846 PolarHBondContact O-N 3.03Å; C839-F846 HydrophobicContact CB-CE2 4.37Å; K844-F846 HydrophobicContact CB-CE2 3.99Å; K844-F846 HydrophobicContact CB-CZ 4.08Å; K844-F846 WeakPolarHBondContact O-CD2 3.31Å; K844-F846 WeakPolarHBondContact O-CE2 3.42Å; F846-F848 VanDerWaalsContact C-N 3.29Å; F846-F848 PolarHBondContact O-N 3.25Å; F846-A851 HydrophobicContact CB-CB 4.11Å; F846-A851 HydrophobicContact CD1-CB 3.95Å; F846-A851 HydrophobicContact CG-CB 4.26Å; F846-I852 HydrophobicContact CB-CB 4.46Å; F846-I852 HydrophobicContact CD2-CB 3.95Å; F846-I852 HydrophobicContact CD2-CG1 4.34Å; F846-I852 HydrophobicContact CG-CB 4.4Å; F846-H855 HydrophobicContact CE1-CB 4.19Å; F846-H855 HydrophobicContact CE2-CB 3.87Å; F846-H855 AromaticContact CE2-CD2 3.38Å; F846-H855 WeakPolarHBondContact CE2-CD2 3.5Å; F846-H855 AromaticContact CE2-CG 3.58Å; F846-H855 HydrophobicContact CZ-CB 3.61Å; F846-H855 AromaticContact CZ-CD2 3.48Å; F846-H855 VanDerWaalsContact CZ-CD2 3.48Å; F846-H855 WeakPolarHBondContact CZ-CD2 3.48Å; F846-H855 AromaticContact CZ-CG 3.26Å; F846-H855 AromaticContact CZ-ND1 3.63Å; F846-H855 AromaticContact CZ-NE2 3.94Å
847	A	64.2	Low	70.5	Confident	18 Å²	18	70.7 Å²	70.7	15%	0.149	35%	0.352	C	S	.	.	S	Bend	trans	-69.3	-25.3	175.4	0	0	0	0	0	113.5	R829 E834 Y837	R829-A847 HydrophobicContact CB-CB 4.36Å; R829-A847 PolarHBondContact NH1-O 2.58Å; E834-A847 WeakPolarHBondContact O-CB 3.35Å; Y837-A847 WeakPolarHBondContact CE2-O 3.46Å
848	F	70.8	Confident	70.4	Confident	63 Å²	63	71 Å²	71	28%	0.276	36%	0.358	S	S	.	.	S	Bend	trans	-124.8	136.5	-168.9	-41.9	-47	0	0	0	112.7	E826 I830 F846 S850 A851 I852	E826-F848 HydrophobicContact CG-CD1 3.41Å; E826-F848 VanDerWaalsContact CG-CD1 3.41Å; E826-F848 HydrophobicContact CG-CE1 3.48Å; E826-F848 VanDerWaalsContact CG-CE1 3.48Å; E826-F848 HydrophobicContact CG-CG 4.49Å; E826-F848 WeakPolarHBondContact O-CE1 3.43Å; E826-F848 VanDerWaalsContact OE1-CD1 3.29Å; E826-F848 WeakPolarHBondContact OE1-CD1 3.31Å; I830-F848 HydrophobicContact CD1-CZ 4.39Å; I830-F848 HydrophobicContact CG1-CZ 4.34Å; F846-F848 VanDerWaalsContact C-N 3.29Å; F846-F848 PolarHBondContact O-N 3.25Å; F848-S850 PolarHBondContact O-N 3.18Å; F848-A851 HydrophobicContact CB-CB 4.19Å; F848-A851 WeakPolarHBondContact O-CB 3.2Å; F848-A851 PolarHBondContact O-N 3.06Å; F848-I852 PolarHBondContact O-N 3.26Å
849	R	67.3	Low	70.3	Confident	171 Å²	171	69.6 Å²	69.6	65%	0.645	35%	0.352	S	S	*	.	H	α-helix	trans	-63.1	-31.3	179.1	-168.8	174.3	178.1	173	0.2	112.6	Y837 I852 I853	Y837-R849 HydrophobicContact CD1-CB 4.25Å; Y837-R849 HydrophobicContact CD1-CG 4.43Å; Y837-R849 HydrophobicContact CD2-CB 4.46Å; Y837-R849 HydrophobicContact CE1-CB 3.9Å; Y837-R849 HydrophobicContact CE1-CG 4.21Å; Y837-R849 HydrophobicContact CE2-CB 4.11Å; Y837-R849 VanDerWaalsContact CE2-N 3.3Å; R849-I852 WeakPolarHBondContact O-CG2 3.43Å; R849-I853 HydrophobicContact CG-CD1 4.17Å; R849-I853 WeakPolarHBondContact O-CD1 3.22Å; R849-I853 WeakPolarHBondContact O-CG1 3.5Å; R849-I853 PolarHBondContact O-N 3.45Å
850	S	65.9	Low	69.8	Low	81 Å²	81	73.1 Å²	73.1	57%	0.566	37%	0.373	S	S	*	.	H	α-helix	trans	-65.7	-35.9	174.2	55.3	0	0	0	0	112.7	F848 Q854	F848-S850 PolarHBondContact O-N 3.18Å; S850-Q854 VanDerWaalsContact O-CB 3.3Å; S850-Q854 WeakPolarHBondContact O-CB 3.26Å; S850-Q854 PolarHBondContact O-N 3.47Å; S850-Q854 VanDerWaalsContact O-N 3.08Å
851	A	68.6	Low	69.9	Low	25 Å²	25	66.7 Å²	66.7	21%	0.207	36%	0.355	C	S	.	.	H	α-helix	trans	-71.3	-43.4	-179.4	0	0	0	0	0	112	F846 F848 Q854 H855	F846-A851 HydrophobicContact CB-CB 4.11Å; F846-A851 HydrophobicContact CD1-CB 3.95Å; F846-A851 HydrophobicContact CG-CB 4.26Å; F848-A851 HydrophobicContact CB-CB 4.19Å; F848-A851 WeakPolarHBondContact O-CB 3.2Å; F848-A851 PolarHBondContact O-N 3.06Å; A851-Q854 CarbonylContact O-C 3.46Å; A851-Q854 PolarHBondContact O-N 3.07Å; A851-H855 VanDerWaalsContact O-CB 3.3Å; A851-H855 WeakPolarHBondContact O-CB 3.46Å; A851-H855 PolarHBondContact O-N 3.44Å
852	I	75.3	Confident	69.7	Low	16 Å²	16	66.6 Å²	66.6	8%	0.082	36%	0.355	C	S	.	.	H	α-helix	trans	-64.5	-41.2	175.1	-177.1	171.9	0	0	0	112.3	Y837 H838 C839 F846 F848 R849 Q854 H855 R856	Y837-I852 HydrophobicContact CG-CG2 4.33Å; H838-I852 VanDerWaalsContact C-CD1 3.47Å; H838-I852 WeakPolarHBondContact O-CD1 3.36Å; C839-I852 HydrophobicContact CB-CD1 4.41Å; F846-I852 HydrophobicContact CB-CB 4.46Å; F846-I852 HydrophobicContact CD2-CB 3.95Å; F846-I852 HydrophobicContact CD2-CG1 4.34Å; F846-I852 HydrophobicContact CG-CB 4.4Å; F848-I852 PolarHBondContact O-N 3.26Å; R849-I852 WeakPolarHBondContact O-CG2 3.43Å; I852-Q854 VanDerWaalsContact C-N 3.28Å; I852-Q854 PolarHBondContact O-N 2.99Å; I852-H855 WeakPolarHBondContact O-CB 3.29Å; I852-H855 PolarHBondContact O-N 3.28Å; I852-H855 VanDerWaalsContact O-N 3.07Å; I852-R856 HydrophobicContact CG1-CG 4.38Å; I852-R856 WeakPolarHBondContact O-CG 3.06Å; I852-R856 PolarHBondContact O-N 3.26Å
853	I	70.8	Confident	69.6	Low	87 Å²	87	70.3 Å²	70.3	45%	0.446	37%	0.365	S	S	.	.	H	α-helix	trans	-63.2	-39.4	177.2	-68	167.7	0	0	0	110.2	R849 H855	R849-I853 HydrophobicContact CG-CD1 4.17Å; R849-I853 WeakPolarHBondContact O-CD1 3.22Å; R849-I853 WeakPolarHBondContact O-CG1 3.5Å; R849-I853 PolarHBondContact O-N 3.45Å; I853-H855 VanDerWaalsContact C-N 3.32Å
854	Q	65.9	Low	69.7	Low	82 Å²	82	70.4 Å²	70.4	38%	0.383	36%	0.356	S	S	.	.	H	α-helix	trans	-71.4	-24.4	174.2	-175.3	172.5	99.1	0	0	113.5	S850 A851 I852 R876	S850-Q854 VanDerWaalsContact O-CB 3.3Å; S850-Q854 WeakPolarHBondContact O-CB 3.26Å; S850-Q854 PolarHBondContact O-N 3.47Å; S850-Q854 VanDerWaalsContact O-N 3.08Å; A851-Q854 CarbonylContact O-C 3.46Å; A851-Q854 PolarHBondContact O-N 3.07Å; I852-Q854 VanDerWaalsContact C-N 3.28Å; I852-Q854 PolarHBondContact O-N 2.99Å; Q854-R876 VanDerWaalsContact CD-CZ 3.4Å; Q854-R876 HydrophobicContact CG-CG 4.43Å
855	H	76.2	Confident	69.9	Low	22 Å²	22	67.4 Å²	67.4	10%	0.102	34%	0.341	C	S	.	.	H	α-helix	trans	-80.8	-39.4	176.8	177.7	66.4	0	0	0	112.7	C842 F846 A851 I852 I853 R857 I858 H859	C842-H855 PolarHBondContact SG-NE2 3.42Å; F846-H855 HydrophobicContact CE1-CB 4.19Å; F846-H855 HydrophobicContact CE2-CB 3.87Å; F846-H855 AromaticContact CE2-CD2 3.38Å; F846-H855 WeakPolarHBondContact CE2-CD2 3.5Å; F846-H855 AromaticContact CE2-CG 3.58Å; F846-H855 HydrophobicContact CZ-CB 3.61Å; F846-H855 AromaticContact CZ-CD2 3.48Å; F846-H855 VanDerWaalsContact CZ-CD2 3.48Å; F846-H855 WeakPolarHBondContact CZ-CD2 3.48Å; F846-H855 AromaticContact CZ-CG 3.26Å; F846-H855 AromaticContact CZ-ND1 3.63Å; F846-H855 AromaticContact CZ-NE2 3.94Å; A851-H855 VanDerWaalsContact O-CB 3.3Å; A851-H855 WeakPolarHBondContact O-CB 3.46Å; A851-H855 PolarHBondContact O-N 3.44Å; I852-H855 WeakPolarHBondContact O-CB 3.29Å; I852-H855 PolarHBondContact O-N 3.28Å; I852-H855 VanDerWaalsContact O-N 3.07Å; I853-H855 VanDerWaalsContact C-N 3.32Å; H855-R857 PolarHBondContact O-N 2.94Å; H855-I858 WeakPolarHBondContact O-CA 3.49Å; H855-I858 WeakPolarHBondContact O-CB 3.35Å; H855-I858 WeakPolarHBondContact O-CG1 3.49Å; H855-I858 PolarHBondContact O-N 2.99Å; H855-H859 AromaticContact CD2-NE2 3.91Å; H855-H859 AromaticContact NE2-CE1 3.87Å; H855-H859 AromaticContact NE2-NE2 3.35Å; H855-H859 PolarHBondContact NE2-NE2 2.94Å
856	R	71.2	Confident	69.9	Low	82 Å²	82	69.2 Å²	69.2	31%	0.309	35%	0.347	S	S	.	.	H	α-helix	trans	-55.1	-34.9	176.5	-77.2	172	163.7	-75.2	-7.9	112.8	E841 I852 I858 H859 T860	E841-R856 IonicContact OE1-CZ 3.41Å; E841-R856 VanDerWaalsContact OE1-CZ 3.23Å; E841-R856 IonicContact OE1-NH1 2.71Å; E841-R856 PolarHBondContact OE1-NH1 2.91Å; E841-R856 IonicContact OE1-NH2 3.57Å; E841-R856 PolarHBondContact OE1-NH2 3.28Å; E841-R856 IonicContact OE2-NH1 3.56Å; E841-R856 PolarHBondContact OE2-NH1 3.34Å; I852-R856 HydrophobicContact CG1-CG 4.38Å; I852-R856 WeakPolarHBondContact O-CG 3.06Å; I852-R856 PolarHBondContact O-N 3.26Å; R856-I858 PolarHBondContact O-N 2.84Å; R856-H859 PolarHBondContact O-N 3.18Å; R856-T860 PolarHBondContact O-N 3.47Å; R856-T860 PolarHBondContact O-OG1 3.43Å
857	R	75.9	Confident	69.9	Low	59 Å²	59	66.9 Å²	66.9	22%	0.223	34%	0.336	C	S	.	.	H	α-helix	trans	-61.9	-6.3	171.1	-62.9	-176.9	-179.7	171.9	2.7	115.2	H855 E862 Y865 R875	H855-R857 PolarHBondContact O-N 2.94Å; R857-E862 HydrophobicContact CB-CB 4.25Å; R857-E862 HydrophobicContact CG-CB 4.13Å; R857-E862 IonicContact NE-OE2 3.16Å; R857-Y865 PolarHBondContact NH1-OH 3.03Å; R857-R875 WeakPolarHBondContact O-CD 3.46Å; R857-R875 PolarHBondContact O-NE 3.1Å; R857-R875 PolarHBondContact O-NH2 3.41Å
858	I	69.1	Low	70.2	Confident	80 Å²	80	75.3 Å²	75.3	41%	0.41	37%	0.37	S	S	.	.	H	α-helix	trans	-78	-42.3	169.1	-60	-176.7	0	0	0	109.9	H855 R856 R875	H855-I858 WeakPolarHBondContact O-CA 3.49Å; H855-I858 WeakPolarHBondContact O-CB 3.35Å; H855-I858 WeakPolarHBondContact O-CG1 3.49Å; H855-I858 PolarHBondContact O-N 2.99Å; R856-I858 PolarHBondContact O-N 2.84Å; I858-R875 PolarHBondContact O-NH2 3.03Å
859	H	70.1	Confident	70	Confident	78 Å²	78	77.2 Å²	77.2	36%	0.361	38%	0.379	S	S	.	.	H	α-helix	trans	-77.3	-50.3	179.6	-50.7	-46.9	0	0	0	111.7	C839 E841 C842 H855 R856 G861	C839-H859 PolarHBondContact SG-NE2 3.29Å; C839-H859 VanDerWaalsContact SG-NE2 3.41Å; E841-H859 IonicContact OE2-CD2 3.84Å; E841-H859 PolarHBondContact OE2-CD2 3.45Å; C842-H859 VanDerWaalsContact SG-CE1 3.56Å; C842-H859 PolarHBondContact SG-NE2 3.03Å; H855-H859 AromaticContact CD2-NE2 3.91Å; H855-H859 AromaticContact NE2-CE1 3.87Å; H855-H859 AromaticContact NE2-NE2 3.35Å; H855-H859 PolarHBondContact NE2-NE2 2.94Å; R856-H859 PolarHBondContact O-N 3.18Å; H859-G861 PolarHBondContact O-N 3.29Å
860	T	62.1	Low	70.4	Confident	73 Å²	73	71.4 Å²	71.4	45%	0.448	37%	0.365	S	S	.	.	S	Bend	trans	-70.4	6	-178.2	63.9	0	0	0	0	114.6	R856 E862	R856-T860 PolarHBondContact O-N 3.47Å; R856-T860 PolarHBondContact O-OG1 3.43Å; T860-E862 WeakPolarHBondContact CB-OE1 3.3Å; T860-E862 PolarHBondContact O-N 3.04Å; T860-E862 VanDerWaalsContact OG1-CD 3.28Å; T860-E862 WeakPolarHBondContact OG1-CG 3.41Å; T860-E862 PolarHBondContact OG1-OE1 3.12Å
861	G	66.8	Low	70.6	Confident	35 Å²	35	70.5 Å²	70.5	36%	0.361	37%	0.368	S	S	.	.			trans	75.7	-49.3	-177.4	0	0	0	0	0	113.9	H859 R875	H859-G861 PolarHBondContact O-N 3.29Å; G861-R875 PolarHBondContact O-NE 3.29Å; G861-R875 PolarHBondContact O-NH2 2.88Å
862	E	65.9	Low	70.8	Confident	87 Å²	87	75.4 Å²	75.4	41%	0.407	39%	0.385	S	S	.	.			trans	-12.4	120.7	-175.1	-82.9	175.8	-114	0	0	116.9	R857 T860 P864 R875	R857-E862 HydrophobicContact CB-CB 4.25Å; R857-E862 HydrophobicContact CG-CB 4.13Å; R857-E862 IonicContact NE-OE2 3.16Å; T860-E862 WeakPolarHBondContact CB-OE1 3.3Å; T860-E862 PolarHBondContact O-N 3.04Å; T860-E862 VanDerWaalsContact OG1-CD 3.28Å; T860-E862 WeakPolarHBondContact OG1-CG 3.41Å; T860-E862 PolarHBondContact OG1-OE1 3.12Å; E862-P864 HydrophobicContact CB-CG 4.18Å; E862-R875 WeakPolarHBondContact O-CG 3.23Å
863	K	72	Confident	70.8	Confident	126 Å²	126	76.6 Å²	76.6	55%	0.548	40%	0.397	S	S	.	.			trans	-124.5	68.4	173.3	-67.7	163.9	179.5	171.8	0	110.9	Y865 A873 F874 R875	K863-Y865 PolarHBondContact O-N 2.92Å; K863-A873 HydrophobicContact CB-CB 3.65Å; K863-A873 HydrophobicContact CD-CB 4.2Å; K863-F874 CarbonylContact C-O 3.56Å; K863-F874 WeakPolarHBondContact CA-O 3.49Å; K863-R875 HydrophobicContact CG-CG 3.93Å
864	P	70.6	Confident	71.2	Confident	59 Å²	59	74.8 Å²	74.8	38%	0.383	39%	0.386	S	S	.	.			trans	-75.7	24.2	-165	-15.6	33.4	0	0	0	115.8	E862	E862-P864 HydrophobicContact CB-CG 4.18Å
865	Y	74.9	Confident	71.5	Confident	70 Å²	70	75 Å²	75	28%	0.275	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	86.6	-176.3	-51.8	-71.6	0	0	0	109	R857 K863 F874 R877	R857-Y865 PolarHBondContact NH1-OH 3.03Å; K863-Y865 PolarHBondContact O-N 2.92Å; Y865-F874 WeakPolarHBondContact CD2-O 3.44Å; Y865-F874 PolarHBondContact N-O 3.5Å; Y865-F874 PolarHBondContact O-N 3.06Å; Y865-R877 HydrophobicContact CD1-CB 3.89Å; Y865-R877 HydrophobicContact CD1-CG 4.38Å; Y865-R877 HydrophobicContact CD2-CB 4.47Å; Y865-R877 HydrophobicContact CE1-CB 3.92Å; Y865-R877 HydrophobicContact CE2-CB 4.48Å; Y865-R877 HydrophobicContact CG-CB 4.19Å
866	D	67.6	Low	71.3	Confident	90 Å²	90	79.2 Å²	79.2	48%	0.481	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	152.4	175.8	59	-69.9	0	0	0	113	L880	D866-L880 VanDerWaalsContact O-CD1 3.23Å; D866-L880 WeakPolarHBondContact O-CD1 3.41Å; D866-L880 WeakPolarHBondContact O-CD2 3.48Å
867	C	77	Confident	71.4	Confident	0 Å²	0	83.1 Å²	83.1	0%	0	41%	0.413	C	S	.	.			trans	-104.6	104.6	169	-175.2	0	0	0	0	109	E869 C870 G871 K872 F874 L880 H887	C867-E869 PolarHBondContact O-N 3.2Å; C867-E869 VanDerWaalsContact O-N 3.08Å; C867-C870 PolarHBondContact O-N 3.21Å; C867-C870 VanDerWaalsContact O-N 3.1Å; C867-G871 WeakPolarHBondContact O-CA 3.35Å; C867-G871 PolarHBondContact O-N 3.46Å; C867-K872 WeakPolarHBondContact CB-O 3.46Å; C867-K872 PolarHBondContact N-O 3.01Å; C867-F874 HydrophobicContact CB-CE2 4.47Å; C867-L880 HydrophobicContact CB-CD1 3.53Å; C867-H887 VanDerWaalsContact SG-CD2 3.59Å; C867-H887 PolarHBondContact SG-NE2 2.97Å; C867-H887 VanDerWaalsContact SG-NE2 3.36Å
868	K	70.2	Confident	71	Confident	195 Å²	195	84.4 Å²	84.4	85%	0.848	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.8	-25.1	-178.1	-65.4	-162.8	171.7	-160.6	0	114.5
869	E	67.6	Low	71.4	Confident	103 Å²	103	85.6 Å²	85.6	48%	0.481	43%	0.433	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-16.7	-178.7	-62.9	155.8	122.2	0	0	113.6	C867 H887	C867-E869 PolarHBondContact O-N 3.2Å; C867-E869 VanDerWaalsContact O-N 3.08Å; E869-H887 IonicContact OE2-CD2 3.34Å; E869-H887 PolarHBondContact OE2-CD2 2.82Å; E869-H887 VanDerWaalsContact OE2-CD2 3.28Å; E869-H887 IonicContact OE2-CG 3.83Å
870	C	73.8	Confident	71.8	Confident	50 Å²	50	82.9 Å²	82.9	34%	0.338	42%	0.421	S	S	.	.	T	Hydrogen-bonded Turn	trans	-155.7	17.1	179.7	74.6	0	0	0	0	116	C867 K872 H883 H887	C867-C870 PolarHBondContact O-N 3.21Å; C867-C870 VanDerWaalsContact O-N 3.1Å; C870-K872 PolarHBondContact O-N 2.89Å; C870-H883 PolarHBondContact SG-NE2 2.93Å; C870-H887 VanDerWaalsContact SG-CE1 3.57Å; C870-H887 PolarHBondContact SG-NE2 3.23Å
871	G	70.5	Confident	72.2	Confident	62 Å²	62	82.3 Å²	82.3	64%	0.639	42%	0.418	S	S	*	.			trans	68.5	-7.7	178.4	0	0	0	0	0	116.5	C867 A873	C867-G871 WeakPolarHBondContact O-CA 3.35Å; C867-G871 PolarHBondContact O-N 3.46Å; G871-A873 PolarHBondContact O-N 2.84Å
872	K	72.6	Confident	72.4	Confident	127 Å²	127	83.1 Å²	83.1	55%	0.552	41%	0.412	S	S	*	.			trans	-70.9	118	-171.9	-72.4	174.2	-175.4	168.5	0	111.7	C867 C870 F874	C867-K872 WeakPolarHBondContact CB-O 3.46Å; C867-K872 PolarHBondContact N-O 3.01Å; C870-K872 PolarHBondContact O-N 2.89Å; K872-F874 HydrophobicContact CB-CE2 4Å; K872-F874 HydrophobicContact CB-CZ 4.15Å; K872-F874 VanDerWaalsContact O-CD2 3.32Å; K872-F874 WeakPolarHBondContact O-CD2 3.31Å; K872-F874 WeakPolarHBondContact O-CE2 3.24Å
873	A	75.5	Confident	73	Confident	42 Å²	42	80.1 Å²	80.1	35%	0.347	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	140.2	-176.7	0	0	0	0	0	113.4	K863 G871	K863-A873 HydrophobicContact CB-CB 3.65Å; K863-A873 HydrophobicContact CD-CB 4.2Å; G871-A873 PolarHBondContact O-N 2.84Å
874	F	79.9	Confident	73	Confident	49 Å²	49	77.3 Å²	77.3	22%	0.215	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	146.4	-173.9	-61.6	-88.1	0	0	0	113	K863 Y865 C867 K872 R876 K879 L880 H883	K863-F874 CarbonylContact C-O 3.56Å; K863-F874 WeakPolarHBondContact CA-O 3.49Å; Y865-F874 WeakPolarHBondContact CD2-O 3.44Å; Y865-F874 PolarHBondContact N-O 3.5Å; Y865-F874 PolarHBondContact O-N 3.06Å; C867-F874 HydrophobicContact CB-CE2 4.47Å; K872-F874 HydrophobicContact CB-CE2 4Å; K872-F874 HydrophobicContact CB-CZ 4.15Å; K872-F874 VanDerWaalsContact O-CD2 3.32Å; K872-F874 WeakPolarHBondContact O-CD2 3.31Å; K872-F874 WeakPolarHBondContact O-CE2 3.24Å; F874-R876 VanDerWaalsContact C-N 3.27Å; F874-R876 PolarHBondContact O-N 3.49Å; F874-K879 HydrophobicContact CB-CB 4.25Å; F874-K879 HydrophobicContact CD1-CB 3.92Å; F874-K879 HydrophobicContact CG-CB 4.3Å; F874-L880 HydrophobicContact CB-CB 4.44Å; F874-L880 HydrophobicContact CD2-CB 4.01Å; F874-L880 HydrophobicContact CD2-CD1 4.07Å; F874-L880 HydrophobicContact CE2-CD1 4.29Å; F874-L880 HydrophobicContact CG-CB 4.44Å; F874-H883 HydrophobicContact CE1-CB 4.25Å; F874-H883 HydrophobicContact CE2-CB 3.9Å; F874-H883 AromaticContact CE2-CD2 3.3Å; F874-H883 WeakPolarHBondContact CE2-CD2 3.23Å; F874-H883 AromaticContact CE2-CG 3.7Å; F874-H883 HydrophobicContact CZ-CB 3.58Å; F874-H883 AromaticContact CZ-CD2 3.4Å; F874-H883 VanDerWaalsContact CZ-CD2 3.4Å; F874-H883 WeakPolarHBondContact CZ-CD2 3.18Å; F874-H883 AromaticContact CZ-CG 3.37Å
875	R	72.6	Confident	73.3	Confident	86 Å²	86	77.2 Å²	77.2	33%	0.325	38%	0.379	S	S	.	.	S	Bend	trans	-72.2	-13.5	177	-55.2	-165	156	161.4	-20.6	114.5	R857 I858 G861 E862 K863	R857-R875 WeakPolarHBondContact O-CD 3.46Å; R857-R875 PolarHBondContact O-NE 3.1Å; R857-R875 PolarHBondContact O-NH2 3.41Å; I858-R875 PolarHBondContact O-NH2 3.03Å; G861-R875 PolarHBondContact O-NE 3.29Å; G861-R875 PolarHBondContact O-NH2 2.88Å; E862-R875 WeakPolarHBondContact O-CG 3.23Å; K863-R875 HydrophobicContact CG-CG 3.93Å
876	R	71.9	Confident	73.1	Confident	110 Å²	110	79.2 Å²	79.2	42%	0.415	39%	0.393	S	S	.	.	S	Bend	trans	-144.2	132.1	-175	-56.2	-176.7	-170.8	-168.6	-0.9	111.3	Q854 F874 S878 K879 L880	Q854-R876 VanDerWaalsContact CD-CZ 3.4Å; Q854-R876 HydrophobicContact CG-CG 4.43Å; F874-R876 VanDerWaalsContact C-N 3.27Å; F874-R876 PolarHBondContact O-N 3.49Å; R876-S878 VanDerWaalsContact C-N 3.27Å; R876-S878 PolarHBondContact O-N 3.03Å; R876-K879 WeakPolarHBondContact O-CB 3.49Å; R876-K879 PolarHBondContact O-N 3.2Å; R876-L880 PolarHBondContact O-N 3.29Å
877	R	72.1	Confident	73.2	Confident	165 Å²	165	78.5 Å²	78.5	62%	0.623	39%	0.387	S	S	*	.	H	α-helix	trans	-52.9	-39.3	178.3	-172.3	177.6	178.1	-175.3	-0.2	113.5	Y865 K879 L880 T881	Y865-R877 HydrophobicContact CD1-CB 3.89Å; Y865-R877 HydrophobicContact CD1-CG 4.38Å; Y865-R877 HydrophobicContact CD2-CB 4.47Å; Y865-R877 HydrophobicContact CE1-CB 3.92Å; Y865-R877 HydrophobicContact CE2-CB 4.48Å; Y865-R877 HydrophobicContact CG-CB 4.19Å; R877-K879 PolarHBondContact O-N 2.95Å; R877-L880 WeakPolarHBondContact O-CB 3.4Å; R877-L880 PolarHBondContact O-N 3.36Å; R877-L880 VanDerWaalsContact O-N 3.15Å; R877-T881 PolarHBondContact O-N 3.29Å; R877-T881 PolarHBondContact O-OG1 3.19Å
878	S	68.9	Low	72.5	Confident	85 Å²	85	82.1 Å²	82.1	59%	0.594	41%	0.409	S	S	*	.	H	α-helix	trans	-65.6	-17.3	177.6	56.1	0	0	0	0	114.4	R876 Q882	R876-S878 VanDerWaalsContact C-N 3.27Å; R876-S878 PolarHBondContact O-N 3.03Å; S878-Q882 VanDerWaalsContact O-CB 3.24Å; S878-Q882 WeakPolarHBondContact O-CB 3.45Å; S878-Q882 PolarHBondContact O-N 3.36Å
879	K	76.1	Confident	72.4	Confident	105 Å²	105	74.9 Å²	74.9	46%	0.457	39%	0.39	S	S	.	.	H	α-helix	trans	-87.1	-35.7	171.6	-72.2	-70.2	176.6	-179.1	0	112.5	F874 R876 R877 Q882 H883	F874-K879 HydrophobicContact CB-CB 4.25Å; F874-K879 HydrophobicContact CD1-CB 3.92Å; F874-K879 HydrophobicContact CG-CB 4.3Å; R876-K879 WeakPolarHBondContact O-CB 3.49Å; R876-K879 PolarHBondContact O-N 3.2Å; R877-K879 PolarHBondContact O-N 2.95Å; K879-Q882 PolarHBondContact O-N 3.18Å; K879-H883 WeakPolarHBondContact O-CB 3.49Å; K879-H883 PolarHBondContact O-N 2.9Å
880	L	79.3	Confident	72.3	Confident	21 Å²	21	74.5 Å²	74.5	11%	0.11	39%	0.388	C	S	.	.	H	α-helix	trans	-59.5	-53.8	167.9	172.5	60.9	0	0	0	111.1	D866 C867 F874 R876 R877 Q882 H883 Q884	D866-L880 VanDerWaalsContact O-CD1 3.23Å; D866-L880 WeakPolarHBondContact O-CD1 3.41Å; D866-L880 WeakPolarHBondContact O-CD2 3.48Å; C867-L880 HydrophobicContact CB-CD1 3.53Å; F874-L880 HydrophobicContact CB-CB 4.44Å; F874-L880 HydrophobicContact CD2-CB 4.01Å; F874-L880 HydrophobicContact CD2-CD1 4.07Å; F874-L880 HydrophobicContact CE2-CD1 4.29Å; F874-L880 HydrophobicContact CG-CB 4.44Å; R876-L880 PolarHBondContact O-N 3.29Å; R877-L880 WeakPolarHBondContact O-CB 3.4Å; R877-L880 PolarHBondContact O-N 3.36Å; R877-L880 VanDerWaalsContact O-N 3.15Å; L880-Q882 PolarHBondContact O-N 3.49Å; L880-H883 CarbonylContact O-C 3.45Å; L880-H883 WeakPolarHBondContact O-CA 3.43Å; L880-H883 WeakPolarHBondContact O-CB 3.3Å; L880-H883 PolarHBondContact O-N 2.9Å; L880-Q884 HydrophobicContact CD1-CG 3.92Å; L880-Q884 HydrophobicContact CG-CG 4.33Å; L880-Q884 WeakPolarHBondContact O-CG 3.48Å; L880-Q884 PolarHBondContact O-N 2.81Å
881	T	70.4	Confident	72.3	Confident	61 Å²	61	78.1 Å²	78.1	37%	0.374	40%	0.398	S	S	.	.	H	α-helix	trans	-64.4	-25.9	179.5	-50.8	0	0	0	0	112.9	R877 H883	R877-T881 PolarHBondContact O-N 3.29Å; R877-T881 PolarHBondContact O-OG1 3.19Å; T881-H883 VanDerWaalsContact C-N 3.33Å
882	Q	71.4	Confident	72.3	Confident	53 Å²	53	78.3 Å²	78.3	25%	0.248	39%	0.388	C	S	.	.	H	α-helix	trans	-75.8	-19.9	170.5	171.9	163.6	95.1	0	0	113.4	S878 K879 L880	S878-Q882 VanDerWaalsContact O-CB 3.24Å; S878-Q882 WeakPolarHBondContact O-CB 3.45Å; S878-Q882 PolarHBondContact O-N 3.36Å; K879-Q882 PolarHBondContact O-N 3.18Å; L880-Q882 PolarHBondContact O-N 3.49Å
883	H	77.7	Confident	72.4	Confident	23 Å²	23	75.9 Å²	75.9	11%	0.106	38%	0.376	C	S	.	.	H	α-helix	trans	-92.3	-38.7	178.5	172.2	58.7	0	0	0	112.2	C870 F874 K879 L880 T881 R885 I886 H887	C870-H883 PolarHBondContact SG-NE2 2.93Å; F874-H883 HydrophobicContact CE1-CB 4.25Å; F874-H883 HydrophobicContact CE2-CB 3.9Å; F874-H883 AromaticContact CE2-CD2 3.3Å; F874-H883 WeakPolarHBondContact CE2-CD2 3.23Å; F874-H883 AromaticContact CE2-CG 3.7Å; F874-H883 HydrophobicContact CZ-CB 3.58Å; F874-H883 AromaticContact CZ-CD2 3.4Å; F874-H883 VanDerWaalsContact CZ-CD2 3.4Å; F874-H883 WeakPolarHBondContact CZ-CD2 3.18Å; F874-H883 AromaticContact CZ-CG 3.37Å; K879-H883 WeakPolarHBondContact O-CB 3.49Å; K879-H883 PolarHBondContact O-N 2.9Å; L880-H883 CarbonylContact O-C 3.45Å; L880-H883 WeakPolarHBondContact O-CA 3.43Å; L880-H883 WeakPolarHBondContact O-CB 3.3Å; L880-H883 PolarHBondContact O-N 2.9Å; T881-H883 VanDerWaalsContact C-N 3.33Å; H883-R885 PolarHBondContact O-N 2.57Å; H883-R885 VanDerWaalsContact O-N 3.16Å; H883-I886 VanDerWaalsContact O-CB 3.23Å; H883-I886 WeakPolarHBondContact O-CB 3.49Å; H883-I886 WeakPolarHBondContact O-CG1 3.48Å; H883-I886 PolarHBondContact O-N 2.73Å; H883-H887 AromaticContact CE1-NE2 3.95Å; H883-H887 AromaticContact NE2-NE2 3.56Å
884	Q	72.9	Confident	72	Confident	67 Å²	67	82 Å²	82	31%	0.313	39%	0.39	S	S	.	.	H	α-helix	trans	-56.1	-32.3	176.8	-68.8	175.3	-78.2	0	0	113	L880 I886 H887 T888	L880-Q884 HydrophobicContact CD1-CG 3.92Å; L880-Q884 HydrophobicContact CG-CG 4.33Å; L880-Q884 WeakPolarHBondContact O-CG 3.48Å; L880-Q884 PolarHBondContact O-N 2.81Å; Q884-I886 PolarHBondContact O-N 3.19Å; Q884-H887 WeakPolarHBondContact O-CB 3.03Å; Q884-H887 PolarHBondContact O-N 3.34Å; Q884-T888 PolarHBondContact O-N 3.09Å
885	R	77	Confident	71.8	Confident	57 Å²	57	79.7 Å²	79.7	22%	0.215	38%	0.38	C	S	.	.	H	α-helix	trans	-64.9	-4.2	172.7	-62.3	-174.3	175.2	159.3	5.3	115.6	H883 G889 E890 V903	H883-R885 PolarHBondContact O-N 2.57Å; H883-R885 VanDerWaalsContact O-N 3.16Å; R885-G889 PolarHBondContact O-N 2.89Å; R885-E890 HydrophobicContact CB-CB 4.24Å; R885-E890 HydrophobicContact CG-CB 4.01Å; R885-E890 IonicContact NE-OE2 3.3Å; R885-E890 PolarHBondContact NE-OE2 3.39Å; R885-V903 HydrophobicContact CB-CG1 3.61Å; R885-V903 HydrophobicContact CG-CG1 4.46Å; R885-V903 PolarHBondContact NH1-O 2.76Å
886	I	69.3	Low	71.6	Confident	113 Å²	113	84.2 Å²	84.2	58%	0.579	41%	0.405	S	S	*	.	H	α-helix	trans	-81.4	-34.4	168.6	-57.8	179.3	0	0	0	109.8	H883 Q884	H883-I886 VanDerWaalsContact O-CB 3.23Å; H883-I886 WeakPolarHBondContact O-CB 3.49Å; H883-I886 WeakPolarHBondContact O-CG1 3.48Å; H883-I886 PolarHBondContact O-N 2.73Å; Q884-I886 PolarHBondContact O-N 3.19Å
887	H	70.2	Confident	71.5	Confident	75 Å²	75	84.2 Å²	84.2	35%	0.347	41%	0.409	S	S	.	.	H	α-helix	trans	-80.5	-47.6	177	-52.5	-51.4	0	0	0	111.3	C867 E869 C870 H883 Q884 G889	C867-H887 VanDerWaalsContact SG-CD2 3.59Å; C867-H887 PolarHBondContact SG-NE2 2.97Å; C867-H887 VanDerWaalsContact SG-NE2 3.36Å; E869-H887 IonicContact OE2-CD2 3.34Å; E869-H887 PolarHBondContact OE2-CD2 2.82Å; E869-H887 VanDerWaalsContact OE2-CD2 3.28Å; E869-H887 IonicContact OE2-CG 3.83Å; C870-H887 VanDerWaalsContact SG-CE1 3.57Å; C870-H887 PolarHBondContact SG-NE2 3.23Å; H883-H887 AromaticContact CE1-NE2 3.95Å; H883-H887 AromaticContact NE2-NE2 3.56Å; Q884-H887 WeakPolarHBondContact O-CB 3.03Å; Q884-H887 PolarHBondContact O-N 3.34Å; H887-G889 PolarHBondContact O-N 3.41Å
888	T	62.7	Low	71.8	Confident	75 Å²	75	78.9 Å²	78.9	46%	0.46	40%	0.397	S	S	.	.	S	Bend	trans	-76.2	-4.7	179.3	68.8	0	0	0	0	114.4	Q884 E890	Q884-T888 PolarHBondContact O-N 3.09Å; T888-E890 PolarHBondContact O-N 3.18Å; T888-E890 WeakPolarHBondContact OG1-CG 3.41Å
889	G	67.6	Low	71.9	Confident	44 Å²	44	76.2 Å²	76.2	45%	0.454	38%	0.382	S	S	.	.			trans	64.9	-1.4	-178.2	0	0	0	0	0	116.1	R885 H887 K891	R885-G889 PolarHBondContact O-N 2.89Å; H887-G889 PolarHBondContact O-N 3.41Å; G889-K891 PolarHBondContact O-N 2.91Å
890	E	66.6	Low	71.8	Confident	94 Å²	94	77.4 Å²	77.4	44%	0.439	39%	0.388	S	S	.	.			trans	-52.2	129.1	-172.7	-88	180	-152.3	0	0	113.9	R885 T888 P892	R885-E890 HydrophobicContact CB-CB 4.24Å; R885-E890 HydrophobicContact CG-CB 4.01Å; R885-E890 IonicContact NE-OE2 3.3Å; R885-E890 PolarHBondContact NE-OE2 3.39Å; T888-E890 PolarHBondContact O-N 3.18Å; T888-E890 WeakPolarHBondContact OG1-CG 3.41Å; E890-P892 HydrophobicContact CB-CG 4.25Å; E890-P892 WeakPolarHBondContact O-CD 3.43Å
891	K	72.8	Confident	71.7	Confident	126 Å²	126	78.3 Å²	78.3	55%	0.548	40%	0.399	S	S	.	.			trans	-123.5	70.2	174.7	-70.1	160.6	-173.8	168	0	111.1	G889 Y893 A901 F902 V903	G889-K891 PolarHBondContact O-N 2.91Å; K891-Y893 PolarHBondContact O-N 3.21Å; K891-A901 HydrophobicContact CB-CB 3.61Å; K891-A901 HydrophobicContact CD-CB 4.39Å; K891-F902 CarbonylContact C-O 3.58Å; K891-F902 WeakPolarHBondContact CA-O 3.09Å; K891-V903 HydrophobicContact CG-CG2 3.88Å
892	P	70.4	Confident	72.1	Confident	67 Å²	67	78 Å²	78	44%	0.435	39%	0.392	S	S	.	.			trans	-71.4	-5.2	-166.7	-20.6	36	0	0	0	115.7	E890	E890-P892 HydrophobicContact CB-CG 4.25Å; E890-P892 WeakPolarHBondContact O-CD 3.43Å
893	Y	75.1	Confident	72.1	Confident	76 Å²	76	77.6 Å²	77.6	30%	0.298	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	90.1	-177	-53.2	-75.8	0	0	0	109.3	K891 F902 F905	K891-Y893 PolarHBondContact O-N 3.21Å; Y893-F902 WeakPolarHBondContact CD2-O 3.35Å; Y893-F902 PolarHBondContact N-O 2.89Å; Y893-F902 VanDerWaalsContact N-O 3.11Å; Y893-F902 PolarHBondContact O-N 2.94Å; Y893-F905 HydrophobicContact CD1-CB 3.9Å; Y893-F905 AromaticContact CD1-CD2 3.85Å; Y893-F905 HydrophobicContact CD1-CD2 3.85Å; Y893-F905 HydrophobicContact CD1-CG 4.39Å; Y893-F905 HydrophobicContact CD2-CB 4.46Å; Y893-F905 HydrophobicContact CE1-CB 3.79Å; Y893-F905 HydrophobicContact CE1-CD2 4.2Å; Y893-F905 HydrophobicContact CE1-CG 4.46Å; Y893-F905 HydrophobicContact CE2-CB 4.36Å; Y893-F905 VanDerWaalsContact CE2-N 3.29Å; Y893-F905 HydrophobicContact CG-CB 4.23Å
894	R	66.8	Low	71.9	Confident	170 Å²	170	82 Å²	82	64%	0.642	41%	0.409	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.9	138.9	178.9	-157	178.6	-167.3	-177.6	2.4	111	G899 A901	R894-G899 VanDerWaalsContact CG-O 3.26Å; R894-G899 WeakPolarHBondContact CG-O 3.31Å; R894-G899 PolarHBondContact NE-O 3.04Å; R894-G899 VanDerWaalsContact NE-O 3.09Å; R894-A901 HydrophobicContact CG-CB 4.34Å
895	C	75.9	Confident	71.7	Confident	0 Å²	0	84.8 Å²	84.8	0%	0	42%	0.42	C	S	.	.			trans	-79.5	128.9	166.3	-166.5	0	0	0	0	109.2	G899 K900 L908 H911 H912 H915	C895-G899 WeakPolarHBondContact O-CA 3.23Å; C895-G899 PolarHBondContact O-N 2.99Å; C895-K900 VanDerWaalsContact CB-O 3.3Å; C895-K900 WeakPolarHBondContact CB-O 3.31Å; C895-K900 PolarHBondContact N-O 3.27Å; C895-L908 HydrophobicContact CB-CD1 3.72Å; C895-H911 PolarHBondContact SG-CD2 3.13Å; C895-H911 PolarHBondContact SG-NE2 3.02Å; C895-H912 VanDerWaalsContact SG-CD2 3.54Å; C895-H915 VanDerWaalsContact SG-CD2 3.52Å; C895-H915 PolarHBondContact SG-NE2 3.35Å
896	H	68.2	Low	71.4	Confident	181 Å²	181	85.7 Å²	85.7	84%	0.838	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.3	-38.1	177.3	-72.7	-94.3	0	0	0	111.5	C898	H896-C898 PolarHBondContact O-N 2.88Å
897	E	71	Confident	71.6	Confident	111 Å²	111	81.4 Å²	81.4	52%	0.519	42%	0.419	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-24.2	-174.5	-61.3	151.3	120.7	0	0	115.1	H912 H915	E897-H912 IonicContact OE2-CD2 2.62Å; E897-H912 PolarHBondContact OE2-CD2 3.39Å; E897-H915 WeakPolarHBondContact OE1-CB 3.37Å; E897-H915 IonicContact OE2-CD2 3.04Å; E897-H915 PolarHBondContact OE2-CD2 3.36Å; E897-H915 IonicContact OE2-CG 2.77Å
898	C	77.3	Confident	72	Confident	52 Å²	52	78.4 Å²	78.4	35%	0.351	41%	0.405	S	S	.	.	T	Hydrogen-bonded Turn	trans	-145.3	17.7	177.3	78.4	0	0	0	0	114.8	H896 K900 H911 H915	H896-C898 PolarHBondContact O-N 2.88Å; C898-K900 PolarHBondContact O-N 3.3Å; C898-H911 PolarHBondContact SG-NE2 3.17Å; C898-H915 PolarHBondContact SG-CE1 3.14Å; C898-H915 PolarHBondContact SG-NE2 3.14Å; C898-H915 VanDerWaalsContact SG-NE2 3.41Å
899	G	71.5	Confident	72.3	Confident	29 Å²	29	78.4 Å²	78.4	30%	0.299	41%	0.405	S	S	.	.			trans	67.7	-11.9	175.3	0	0	0	0	0	117.3	R894 C895	R894-G899 VanDerWaalsContact CG-O 3.26Å; R894-G899 WeakPolarHBondContact CG-O 3.31Å; R894-G899 PolarHBondContact NE-O 3.04Å; R894-G899 VanDerWaalsContact NE-O 3.09Å; C895-G899 WeakPolarHBondContact O-CA 3.23Å; C895-G899 PolarHBondContact O-N 2.99Å
900	K	74.5	Confident	72.5	Confident	130 Å²	130	81.3 Å²	81.3	57%	0.565	41%	0.405	S	S	*	.			trans	-62.2	133.4	-176.2	-72.8	176.3	-175.8	165.9	0	111.9	C895 C898 F902	C895-K900 VanDerWaalsContact CB-O 3.3Å; C895-K900 WeakPolarHBondContact CB-O 3.31Å; C895-K900 PolarHBondContact N-O 3.27Å; C898-K900 PolarHBondContact O-N 3.3Å; K900-F902 HydrophobicContact CB-CE2 4.08Å; K900-F902 HydrophobicContact CB-CZ 4.3Å; K900-F902 WeakPolarHBondContact O-CE2 3.37Å
901	A	76	Confident	73.1	Confident	41 Å²	41	77.5 Å²	77.5	34%	0.339	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	140.2	-171	0	0	0	0	0	112.9	K891 R894	K891-A901 HydrophobicContact CB-CB 3.61Å; K891-A901 HydrophobicContact CD-CB 4.39Å; R894-A901 HydrophobicContact CG-CB 4.34Å
902	F	79.3	Confident	72.9	Confident	55 Å²	55	74.4 Å²	74.4	24%	0.241	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	145.5	-173.2	-59.8	-91.3	0	0	0	112.4	K891 Y893 K900 R904 L908 H911	K891-F902 CarbonylContact C-O 3.58Å; K891-F902 WeakPolarHBondContact CA-O 3.09Å; Y893-F902 WeakPolarHBondContact CD2-O 3.35Å; Y893-F902 PolarHBondContact N-O 2.89Å; Y893-F902 VanDerWaalsContact N-O 3.11Å; Y893-F902 PolarHBondContact O-N 2.94Å; K900-F902 HydrophobicContact CB-CE2 4.08Å; K900-F902 HydrophobicContact CB-CZ 4.3Å; K900-F902 WeakPolarHBondContact O-CE2 3.37Å; F902-R904 VanDerWaalsContact C-N 3.28Å; F902-R904 PolarHBondContact O-N 3.12Å; F902-L908 HydrophobicContact CD2-CB 4.1Å; F902-L908 HydrophobicContact CD2-CD1 3.94Å; F902-L908 HydrophobicContact CE2-CD1 4.16Å; F902-L908 HydrophobicContact CG-CB 4.48Å; F902-H911 HydrophobicContact CE1-CB 4.16Å; F902-H911 HydrophobicContact CE2-CB 3.74Å; F902-H911 AromaticContact CE2-CD2 3.35Å; F902-H911 WeakPolarHBondContact CE2-CD2 3.39Å; F902-H911 AromaticContact CE2-CG 3.54Å; F902-H911 HydrophobicContact CZ-CB 3.49Å; F902-H911 VanDerWaalsContact CZ-CB 3.49Å; F902-H911 AromaticContact CZ-CD2 3.6Å; F902-H911 AromaticContact CZ-CG 3.32Å; F902-H911 AromaticContact CZ-ND1 3.83Å
903	V	71	Confident	73.1	Confident	43 Å²	43	71.9 Å²	71.9	26%	0.261	36%	0.359	S	S	.	.	S	Bend	trans	-71.4	-22.1	178.3	-174	0	0	0	0	112.6	R885 K891	R885-V903 HydrophobicContact CB-CG1 3.61Å; R885-V903 HydrophobicContact CG-CG1 4.46Å; R885-V903 PolarHBondContact NH1-O 2.76Å; K891-V903 HydrophobicContact CG-CG2 3.88Å
904	R	74.1	Confident	73.1	Confident	116 Å²	116	72.5 Å²	72.5	44%	0.438	37%	0.366	S	S	.	.	S	Bend	trans	-136.5	136.7	-173.3	-56.7	178.4	-174.1	174.7	2.2	110.4	F902 S906 G907 L908	F902-R904 VanDerWaalsContact C-N 3.28Å; F902-R904 PolarHBondContact O-N 3.12Å; R904-S906 VanDerWaalsContact C-N 3.27Å; R904-S906 PolarHBondContact O-N 2.92Å; R904-G907 WeakPolarHBondContact O-CA 3.41Å; R904-G907 PolarHBondContact O-N 3.23Å; R904-L908 PolarHBondContact O-N 2.88Å
905	F	67.6	Low	73.3	Confident	125 Å²	125	67.6 Å²	67.6	55%	0.548	35%	0.35	S	S	.	.	H	α-helix	trans	-55.4	-41.2	178.3	-176.7	-105.2	0	0	0	112.5	Y893 G907 L908 T909	Y893-F905 HydrophobicContact CD1-CB 3.9Å; Y893-F905 AromaticContact CD1-CD2 3.85Å; Y893-F905 HydrophobicContact CD1-CD2 3.85Å; Y893-F905 HydrophobicContact CD1-CG 4.39Å; Y893-F905 HydrophobicContact CD2-CB 4.46Å; Y893-F905 HydrophobicContact CE1-CB 3.79Å; Y893-F905 HydrophobicContact CE1-CD2 4.2Å; Y893-F905 HydrophobicContact CE1-CG 4.46Å; Y893-F905 HydrophobicContact CE2-CB 4.36Å; Y893-F905 VanDerWaalsContact CE2-N 3.29Å; Y893-F905 HydrophobicContact CG-CB 4.23Å; F905-G907 PolarHBondContact O-N 3.07Å; F905-G907 VanDerWaalsContact O-N 3.08Å; F905-L908 CarbonylContact O-C 3.55Å; F905-L908 WeakPolarHBondContact O-CA 3.32Å; F905-L908 WeakPolarHBondContact O-CB 3.49Å; F905-L908 PolarHBondContact O-N 3.26Å; F905-T909 WeakPolarHBondContact CE1-OG1 3.43Å; F905-T909 PolarHBondContact O-N 2.95Å; F905-T909 PolarHBondContact O-OG1 3.32Å
906	S	71.5	Confident	72.7	Confident	76 Å²	76	70.9 Å²	70.9	53%	0.531	37%	0.37	S	S	.	.	H	α-helix	trans	-62.9	-15	175.6	65.1	0	0	0	0	114.7	R904 K910	R904-S906 VanDerWaalsContact C-N 3.27Å; R904-S906 PolarHBondContact O-N 2.92Å; S906-K910 WeakPolarHBondContact O-CG 3.46Å
907	G	73.1	Confident	72.6	Confident	23 Å²	23	64 Å²	64	24%	0.237	35%	0.348	C	S	.	.	H	α-helix	trans	-78.2	-45.3	168.2	0	0	0	0	0	111.1	R904 F905 K910 H911	R904-G907 WeakPolarHBondContact O-CA 3.41Å; R904-G907 PolarHBondContact O-N 3.23Å; F905-G907 PolarHBondContact O-N 3.07Å; F905-G907 VanDerWaalsContact O-N 3.08Å; G907-K910 PolarHBondContact O-N 3.14Å; G907-H911 WeakPolarHBondContact O-CB 3.24Å; G907-H911 PolarHBondContact O-N 2.8Å
908	L	78.4	Confident	72.4	Confident	12 Å²	12	64 Å²	64	6%	0.063	35%	0.348	C	S	.	.	H	α-helix	trans	-62.4	-44	174.2	-178.3	62.2	0	0	0	112.1	C895 F902 R904 F905 K910 H911 H912	C895-L908 HydrophobicContact CB-CD1 3.72Å; F902-L908 HydrophobicContact CD2-CB 4.1Å; F902-L908 HydrophobicContact CD2-CD1 3.94Å; F902-L908 HydrophobicContact CE2-CD1 4.16Å; F902-L908 HydrophobicContact CG-CB 4.48Å; R904-L908 PolarHBondContact O-N 2.88Å; F905-L908 CarbonylContact O-C 3.55Å; F905-L908 WeakPolarHBondContact O-CA 3.32Å; F905-L908 WeakPolarHBondContact O-CB 3.49Å; F905-L908 PolarHBondContact O-N 3.26Å; L908-K910 VanDerWaalsContact C-N 3.32Å; L908-K910 PolarHBondContact O-N 3.19Å; L908-H911 CarbonylContact O-C 3.58Å; L908-H911 WeakPolarHBondContact O-CA 3.49Å; L908-H911 WeakPolarHBondContact O-CB 3.43Å; L908-H911 PolarHBondContact O-N 3.04Å; L908-H912 WeakPolarHBondContact CD1-NE2 3.37Å; L908-H912 PolarHBondContact O-N 3.38Å
909	T	70	Confident	72.1	Confident	75 Å²	75	67.4 Å²	67.4	46%	0.46	36%	0.357	S	S	.	.	H	α-helix	trans	-60.3	-40.6	176.4	-37.7	0	0	0	0	112.2	F905 H911	F905-T909 WeakPolarHBondContact CE1-OG1 3.43Å; F905-T909 PolarHBondContact O-N 2.95Å; F905-T909 PolarHBondContact O-OG1 3.32Å; T909-H911 PolarHBondContact O-N 3.34Å
910	K	72	Confident	72	Confident	106 Å²	106	70 Å²	70	46%	0.461	37%	0.369	S	S	.	.	H	α-helix	trans	-69.8	-19.3	173.1	-76.9	-175.9	172.4	-154.4	0	113.2	S906 G907 L908 S913 Q932	S906-K910 WeakPolarHBondContact O-CG 3.46Å; G907-K910 PolarHBondContact O-N 3.14Å; L908-K910 VanDerWaalsContact C-N 3.32Å; L908-K910 PolarHBondContact O-N 3.19Å; K910-S913 PolarHBondContact O-OG 3.18Å; K910-Q932 VanDerWaalsContact CE-OE1 3.3Å
911	H	78.8	Confident	72.2	Confident	13 Å²	13	67.2 Å²	67.2	6%	0.06	36%	0.355	C	S	.	.	H	α-helix	trans	-88.5	-37.9	179.6	176.2	57.9	0	0	0	112.4	C895 C898 F902 G907 L908 T909 S913 I914 H915	C895-H911 PolarHBondContact SG-CD2 3.13Å; C895-H911 PolarHBondContact SG-NE2 3.02Å; C898-H911 PolarHBondContact SG-NE2 3.17Å; F902-H911 HydrophobicContact CE1-CB 4.16Å; F902-H911 HydrophobicContact CE2-CB 3.74Å; F902-H911 AromaticContact CE2-CD2 3.35Å; F902-H911 WeakPolarHBondContact CE2-CD2 3.39Å; F902-H911 AromaticContact CE2-CG 3.54Å; F902-H911 HydrophobicContact CZ-CB 3.49Å; F902-H911 VanDerWaalsContact CZ-CB 3.49Å; F902-H911 AromaticContact CZ-CD2 3.6Å; F902-H911 AromaticContact CZ-CG 3.32Å; F902-H911 AromaticContact CZ-ND1 3.83Å; G907-H911 WeakPolarHBondContact O-CB 3.24Å; G907-H911 PolarHBondContact O-N 2.8Å; L908-H911 CarbonylContact O-C 3.58Å; L908-H911 WeakPolarHBondContact O-CA 3.49Å; L908-H911 WeakPolarHBondContact O-CB 3.43Å; L908-H911 PolarHBondContact O-N 3.04Å; T909-H911 PolarHBondContact O-N 3.34Å; H911-S913 PolarHBondContact O-N 2.83Å; H911-I914 WeakPolarHBondContact O-CB 3.33Å; H911-I914 WeakPolarHBondContact O-CG1 3.49Å; H911-I914 PolarHBondContact O-N 3.46Å; H911-H915 AromaticContact CD2-NE2 3.76Å; H911-H915 AromaticContact CE1-CE1 3.76Å; H911-H915 AromaticContact CE1-NE2 3.37Å; H911-H915 PolarHBondContact CE1-NE2 2.85Å; H911-H915 AromaticContact NE2-CE1 3.8Å; H911-H915 AromaticContact NE2-NE2 3.04Å; H911-H915 PolarHBondContact NE2-NE2 2.88Å
912	H	69.1	Low	72.1	Confident	62 Å²	62	70.9 Å²	70.9	29%	0.287	37%	0.365	S	S	.	.	H	α-helix	trans	-58.2	-33.5	174.9	-68.4	153	0	0	0	112.3	C895 E897 L908 I914 H915 T916	C895-H912 VanDerWaalsContact SG-CD2 3.54Å; E897-H912 IonicContact OE2-CD2 2.62Å; E897-H912 PolarHBondContact OE2-CD2 3.39Å; L908-H912 WeakPolarHBondContact CD1-NE2 3.37Å; L908-H912 PolarHBondContact O-N 3.38Å; H912-I914 PolarHBondContact O-N 2.88Å; H912-H915 PolarHBondContact O-N 3.27Å; H912-T916 PolarHBondContact O-N 3.01Å; H912-T916 PolarHBondContact O-OG1 2.96Å
913	S	73.4	Confident	72.3	Confident	13 Å²	13	68.2 Å²	68.2	9%	0.091	35%	0.354	C	S	.	.	H	α-helix	trans	-61.2	-6.9	171.9	66.9	0	0	0	0	114.8	K910 H911 R931	K910-S913 PolarHBondContact O-OG 3.18Å; H911-S913 PolarHBondContact O-N 2.83Å; S913-R931 VanDerWaalsContact O-CD 3.25Å; S913-R931 WeakPolarHBondContact O-CD 3.21Å; S913-R931 PolarHBondContact O-NE 3.03Å; S913-R931 PolarHBondContact O-NH2 2.88Å
914	I	75	Confident	72.5	Confident	90 Å²	90	76.1 Å²	76.1	46%	0.462	38%	0.384	S	S	.	.	H	α-helix	trans	-78.7	-41.7	170.2	-57.9	-175.3	0	0	0	110.6	H911 H912 R931	H911-I914 WeakPolarHBondContact O-CB 3.33Å; H911-I914 WeakPolarHBondContact O-CG1 3.49Å; H911-I914 PolarHBondContact O-N 3.46Å; H912-I914 PolarHBondContact O-N 2.88Å; I914-R931 PolarHBondContact O-NH2 3.04Å
915	H	72.6	Confident	72.5	Confident	66 Å²	66	75.2 Å²	75.2	31%	0.306	39%	0.392	S	S	.	.	H	α-helix	trans	-83.6	-45.3	-176.3	-51.9	-49.5	0	0	0	112.1	C895 E897 C898 H911 H912 G917	C895-H915 VanDerWaalsContact SG-CD2 3.52Å; C895-H915 PolarHBondContact SG-NE2 3.35Å; E897-H915 WeakPolarHBondContact OE1-CB 3.37Å; E897-H915 IonicContact OE2-CD2 3.04Å; E897-H915 PolarHBondContact OE2-CD2 3.36Å; E897-H915 IonicContact OE2-CG 2.77Å; C898-H915 PolarHBondContact SG-CE1 3.14Å; C898-H915 PolarHBondContact SG-NE2 3.14Å; C898-H915 VanDerWaalsContact SG-NE2 3.41Å; H911-H915 AromaticContact CD2-NE2 3.76Å; H911-H915 AromaticContact CE1-CE1 3.76Å; H911-H915 AromaticContact CE1-NE2 3.37Å; H911-H915 PolarHBondContact CE1-NE2 2.85Å; H911-H915 AromaticContact NE2-CE1 3.8Å; H911-H915 AromaticContact NE2-NE2 3.04Å; H911-H915 PolarHBondContact NE2-NE2 2.88Å; H912-H915 PolarHBondContact O-N 3.27Å; H915-G917 PolarHBondContact O-N 3.22Å
916	T	62.9	Low	73.1	Confident	69 Å²	69	71.8 Å²	71.8	42%	0.423	38%	0.383	S	S	.	.	S	Bend	trans	-66	-4.8	177.7	62.5	0	0	0	0	113.7	H912 E918	H912-T916 PolarHBondContact O-N 3.01Å; H912-T916 PolarHBondContact O-OG1 2.96Å; T916-E918 VanDerWaalsContact CB-OE2 3.32Å; T916-E918 WeakPolarHBondContact CB-OE2 3.46Å; T916-E918 PolarHBondContact O-N 3.37Å; T916-E918 WeakPolarHBondContact OG1-CG 3.41Å; T916-E918 PolarHBondContact OG1-OE2 2.72Å
917	G	66	Low	73.2	Confident	36 Å²	36	70.2 Å²	70.2	37%	0.371	38%	0.379	S	S	.	.			trans	77	-43.1	-175.5	0	0	0	0	0	113.3	H915 R931	H915-G917 PolarHBondContact O-N 3.22Å; G917-R931 PolarHBondContact O-NE 3.31Å; G917-R931 PolarHBondContact O-NH2 3.31Å
918	E	65.6	Low	73.5	Confident	112 Å²	112	75.1 Å²	75.1	52%	0.523	39%	0.394	S	S	.	.			trans	-31.2	133.8	-170.9	-66.8	173.1	129.7	0	0	115.8	T916 P920 R931	T916-E918 VanDerWaalsContact CB-OE2 3.32Å; T916-E918 WeakPolarHBondContact CB-OE2 3.46Å; T916-E918 PolarHBondContact O-N 3.37Å; T916-E918 WeakPolarHBondContact OG1-CG 3.41Å; T916-E918 PolarHBondContact OG1-OE2 2.72Å; E918-P920 HydrophobicContact CB-CG 4.23Å; E918-R931 WeakPolarHBondContact O-CG 3.35Å
919	K	71.9	Confident	73.4	Confident	123 Å²	123	76.5 Å²	76.5	54%	0.535	40%	0.404	S	S	.	.			trans	-127.3	69.6	176.4	-70.4	160.6	171.5	176.5	0	110.2	Y921 S929 F930 R931	K919-Y921 PolarHBondContact O-N 3.47Å; K919-S929 WeakPolarHBondContact CD-O 3.28Å; K919-F930 CarbonylContact C-O 3.47Å; K919-F930 WeakPolarHBondContact CA-O 3.33Å; K919-R931 HydrophobicContact CG-CG 3.94Å
920	P	69.8	Low	73.9	Confident	83 Å²	83	75.3 Å²	75.3	54%	0.539	39%	0.392	S	S	.	.			trans	-72	10.9	-165.5	-18.3	33.8	0	0	0	116.2	E918	E918-P920 HydrophobicContact CB-CG 4.23Å
921	Y	77.6	Confident	74.1	Confident	73 Å²	73	74.4 Å²	74.4	29%	0.286	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	81.7	-174.7	-55.6	-77.5	0	0	0	109.4	K919 F930 R933	K919-Y921 PolarHBondContact O-N 3.47Å; Y921-F930 WeakPolarHBondContact CB-O 3.35Å; Y921-F930 WeakPolarHBondContact CD2-O 3.4Å; Y921-F930 PolarHBondContact N-O 3.47Å; Y921-F930 PolarHBondContact O-N 2.89Å; Y921-R933 HydrophobicContact CD1-CB 3.7Å; Y921-R933 HydrophobicContact CD1-CG 4.21Å; Y921-R933 HydrophobicContact CE1-CB 3.68Å; Y921-R933 HydrophobicContact CE1-CG 4.35Å; Y921-R933 HydrophobicContact CG-CB 4.2Å
922	E	75.2	Confident	73.8	Confident	117 Å²	117	76 Å²	76	55%	0.547	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	141.1	179.6	-176.8	168.1	177.2	0	0	113.3	S929 L936	E922-S929 WeakPolarHBondContact CB-OG 3.39Å; E922-S929 WeakPolarHBondContact CG-OG 3.46Å; E922-L936 WeakPolarHBondContact O-CD2 3.24Å
923	C	82.6	Confident	74.2	Confident	0 Å²	0	81 Å²	81	0%	0	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	100.9	171.5	-168.5	0	0	0	0	111.3	T925 C926 G927 K928 F930 L936 H939 H943	C923-T925 PolarHBondContact O-N 2.88Å; C923-C926 PolarHBondContact O-N 3.07Å; C923-G927 PolarHBondContact O-N 3.11Å; C923-K928 VanDerWaalsContact CB-O 3.3Å; C923-K928 WeakPolarHBondContact CB-O 3.48Å; C923-K928 PolarHBondContact N-O 3.21Å; C923-F930 HydrophobicContact CB-CE2 4.42Å; C923-L936 HydrophobicContact CB-CD1 3.51Å; C923-H939 VanDerWaalsContact SG-CD2 3.52Å; C923-H943 VanDerWaalsContact SG-CD2 3.54Å; C923-H943 PolarHBondContact SG-NE2 3.47Å; C923-H943 VanDerWaalsContact SG-NE2 3.43Å
924	K	75.1	Confident	74.2	Confident	208 Å²	208	84.5 Å²	84.5	90%	0.904	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.3	-27.2	178.2	-64.9	-167.7	173.1	-165.1	0	115
925	T	73.3	Confident	74.4	Confident	98 Å²	98	84.6 Å²	84.6	60%	0.601	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.4	-19.3	-179.5	-38.1	0	0	0	0	114.3	C923 H943	C923-T925 PolarHBondContact O-N 2.88Å; T925-H943 HydrophobicContact CG2-CB 4.08Å
926	C	80.8	Confident	74.8	Confident	52 Å²	52	82.3 Å²	82.3	35%	0.351	42%	0.419	S	S	.	.	T	Hydrogen-bonded Turn	trans	-158.2	18.3	-176.4	72.9	0	0	0	0	116.1	C923 K928 H939 H943	C923-C926 PolarHBondContact O-N 3.07Å; C926-K928 PolarHBondContact O-N 3.34Å; C926-H939 PolarHBondContact SG-NE2 3.47Å; C926-H943 PolarHBondContact SG-CE1 2.81Å; C926-H943 PolarHBondContact SG-NE2 3.07Å
927	G	74.8	Confident	75.4	Confident	43 Å²	43	82.2 Å²	82.2	44%	0.443	42%	0.418	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.9	0.7	178.1	0	0	0	0	0	116.1	C923 S929	C923-G927 PolarHBondContact O-N 3.11Å; G927-S929 PolarHBondContact O-N 3.24Å; G927-S929 PolarHBondContact O-OG 3.21Å
928	K	78	Confident	75.9	Confident	127 Å²	127	83.3 Å²	83.3	55%	0.552	42%	0.416	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.1	115.8	-177.7	-73	178.5	-177.9	172.3	0	110.2	C923 C926 F930	C923-K928 VanDerWaalsContact CB-O 3.3Å; C923-K928 WeakPolarHBondContact CB-O 3.48Å; C923-K928 PolarHBondContact N-O 3.21Å; C926-K928 PolarHBondContact O-N 3.34Å; K928-F930 HydrophobicContact CB-CE2 3.93Å; K928-F930 HydrophobicContact CB-CZ 4.15Å; K928-F930 VanDerWaalsContact O-CD2 3.28Å; K928-F930 WeakPolarHBondContact O-CD2 3.31Å; K928-F930 WeakPolarHBondContact O-CE2 3.43Å
929	S	77.6	Confident	76.5	Confident	40 Å²	40	78.9 Å²	78.9	28%	0.28	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	135.6	-175.5	-63.3	0	0	0	0	113.3	K919 E922 G927	K919-S929 WeakPolarHBondContact CD-O 3.28Å; E922-S929 WeakPolarHBondContact CB-OG 3.39Å; E922-S929 WeakPolarHBondContact CG-OG 3.46Å; G927-S929 PolarHBondContact O-N 3.24Å; G927-S929 PolarHBondContact O-OG 3.21Å
930	F	80.2	Confident	76.8	Confident	50 Å²	50	76.6 Å²	76.6	22%	0.219	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	149.3	-172.1	-63.1	-89.5	0	0	0	112.5	K919 Y921 C923 K928 Q932 H935 L936 H939	K919-F930 CarbonylContact C-O 3.47Å; K919-F930 WeakPolarHBondContact CA-O 3.33Å; Y921-F930 WeakPolarHBondContact CB-O 3.35Å; Y921-F930 WeakPolarHBondContact CD2-O 3.4Å; Y921-F930 PolarHBondContact N-O 3.47Å; Y921-F930 PolarHBondContact O-N 2.89Å; C923-F930 HydrophobicContact CB-CE2 4.42Å; K928-F930 HydrophobicContact CB-CE2 3.93Å; K928-F930 HydrophobicContact CB-CZ 4.15Å; K928-F930 VanDerWaalsContact O-CD2 3.28Å; K928-F930 WeakPolarHBondContact O-CD2 3.31Å; K928-F930 WeakPolarHBondContact O-CE2 3.43Å; F930-Q932 VanDerWaalsContact C-N 3.31Å; F930-Q932 PolarHBondContact O-N 3.1Å; F930-H935 HydrophobicContact CB-CB 4.25Å; F930-H935 HydrophobicContact CD1-CB 3.82Å; F930-H935 HydrophobicContact CG-CB 4.27Å; F930-L936 HydrophobicContact CB-CB 4.35Å; F930-L936 HydrophobicContact CD2-CB 4.07Å; F930-L936 HydrophobicContact CD2-CD1 4.09Å; F930-L936 HydrophobicContact CE2-CD1 4.4Å; F930-L936 HydrophobicContact CG-CB 4.41Å; F930-H939 HydrophobicContact CE1-CB 4.07Å; F930-H939 HydrophobicContact CE2-CB 3.77Å; F930-H939 AromaticContact CE2-CD2 3.29Å; F930-H939 WeakPolarHBondContact CE2-CD2 3.28Å; F930-H939 AromaticContact CE2-CG 3.56Å; F930-H939 HydrophobicContact CZ-CB 3.44Å; F930-H939 VanDerWaalsContact CZ-CB 3.44Å; F930-H939 AromaticContact CZ-CD2 3.49Å; F930-H939 VanDerWaalsContact CZ-CD2 3.49Å; F930-H939 WeakPolarHBondContact CZ-CD2 3.34Å; F930-H939 AromaticContact CZ-CG 3.28Å; F930-H939 AromaticContact CZ-ND1 3.89Å
931	R	75.6	Confident	77.3	Confident	87 Å²	87	75.2 Å²	75.2	33%	0.328	37%	0.37	S	S	.	.	S	Bend	trans	-75.6	-14.9	176.4	-60.4	-171.5	158.1	170.7	-20.4	113.9	S913 I914 G917 E918 K919	S913-R931 VanDerWaalsContact O-CD 3.25Å; S913-R931 WeakPolarHBondContact O-CD 3.21Å; S913-R931 PolarHBondContact O-NE 3.03Å; S913-R931 PolarHBondContact O-NH2 2.88Å; I914-R931 PolarHBondContact O-NH2 3.04Å; G917-R931 PolarHBondContact O-NE 3.31Å; G917-R931 PolarHBondContact O-NH2 3.31Å; E918-R931 WeakPolarHBondContact O-CG 3.35Å; K919-R931 HydrophobicContact CG-CG 3.94Å
932	Q	73.3	Confident	77.1	Confident	46 Å²	46	77.4 Å²	77.4	22%	0.215	39%	0.386	C	S	.	.	S	Bend	trans	-143.5	135	-178.6	-59.8	-173.1	38.4	0	0	111.4	K910 F930 T934 H935 L936	K910-Q932 VanDerWaalsContact CE-OE1 3.3Å; F930-Q932 VanDerWaalsContact C-N 3.31Å; F930-Q932 PolarHBondContact O-N 3.1Å; Q932-T934 PolarHBondContact O-N 3.39Å; Q932-T934 VanDerWaalsContact O-N 3.15Å; Q932-H935 PolarHBondContact O-N 3.21Å; Q932-L936 PolarHBondContact O-N 3.3Å
933	R	77	Confident	77	Confident	168 Å²	168	75.4 Å²	75.4	63%	0.634	38%	0.376	S	S	*	.	H	α-helix	trans	-51.3	-37.8	177.7	-171.7	172.2	-72.9	165.5	-3	113.5	Y921 H935 L936 T937	Y921-R933 HydrophobicContact CD1-CB 3.7Å; Y921-R933 HydrophobicContact CD1-CG 4.21Å; Y921-R933 HydrophobicContact CE1-CB 3.68Å; Y921-R933 HydrophobicContact CE1-CG 4.35Å; Y921-R933 HydrophobicContact CG-CB 4.2Å; R933-H935 VanDerWaalsContact C-N 3.27Å; R933-H935 PolarHBondContact O-N 2.89Å; R933-L936 WeakPolarHBondContact O-CB 3.36Å; R933-L936 PolarHBondContact O-N 3.2Å; R933-T937 PolarHBondContact O-N 3.13Å; R933-T937 PolarHBondContact O-OG1 2.84Å; R933-T937 VanDerWaalsContact O-OG1 3.1Å
934	T	74.1	Confident	76.5	Confident	86 Å²	86	80.3 Å²	80.3	53%	0.528	41%	0.406	S	S	.	.	H	α-helix	trans	-62.7	-30.2	177.2	43.9	0	0	0	0	113.6	Q932 L938	Q932-T934 PolarHBondContact O-N 3.39Å; Q932-T934 VanDerWaalsContact O-N 3.15Å; T934-L938 WeakPolarHBondContact O-CB 3.47Å; T934-L938 PolarHBondContact O-N 2.91Å; T934-L938 VanDerWaalsContact O-N 3.14Å
935	H	78.3	Confident	76.2	Confident	92 Å²	92	72.8 Å²	72.8	43%	0.426	39%	0.388	S	S	.	.	H	α-helix	trans	-80.6	-34.7	176.2	-58.2	171.4	0	0	0	111.2	F930 Q932 R933 L938 H939	F930-H935 HydrophobicContact CB-CB 4.25Å; F930-H935 HydrophobicContact CD1-CB 3.82Å; F930-H935 HydrophobicContact CG-CB 4.27Å; Q932-H935 PolarHBondContact O-N 3.21Å; R933-H935 VanDerWaalsContact C-N 3.27Å; R933-H935 PolarHBondContact O-N 2.89Å; H935-L938 PolarHBondContact O-N 3.34Å; H935-H939 VanDerWaalsContact O-CB 3.26Å; H935-H939 WeakPolarHBondContact O-CB 3.19Å; H935-H939 PolarHBondContact O-N 3.42Å
936	L	81.2	Confident	76.2	Confident	19 Å²	19	71.2 Å²	71.2	10%	0.099	38%	0.375	C	S	.	.	H	α-helix	trans	-59.8	-50.3	168.6	171.8	61.3	0	0	0	110.9	E922 C923 F930 Q932 R933 L938 H939 Q940	E922-L936 WeakPolarHBondContact O-CD2 3.24Å; C923-L936 HydrophobicContact CB-CD1 3.51Å; F930-L936 HydrophobicContact CB-CB 4.35Å; F930-L936 HydrophobicContact CD2-CB 4.07Å; F930-L936 HydrophobicContact CD2-CD1 4.09Å; F930-L936 HydrophobicContact CE2-CD1 4.4Å; F930-L936 HydrophobicContact CG-CB 4.41Å; Q932-L936 PolarHBondContact O-N 3.3Å; R933-L936 WeakPolarHBondContact O-CB 3.36Å; R933-L936 PolarHBondContact O-N 3.2Å; L936-L938 VanDerWaalsContact C-N 3.31Å; L936-L938 PolarHBondContact O-N 2.95Å; L936-H939 CarbonylContact O-C 3.56Å; L936-H939 WeakPolarHBondContact O-CB 3.39Å; L936-H939 PolarHBondContact O-N 3.4Å; L936-H939 VanDerWaalsContact O-N 3.08Å; L936-Q940 HydrophobicContact CD1-CG 3.94Å; L936-Q940 HydrophobicContact CG-CG 4.35Å; L936-Q940 WeakPolarHBondContact O-CG 3.31Å; L936-Q940 PolarHBondContact O-N 2.9Å
937	T	76.3	Confident	76	Confident	66 Å²	66	76.1 Å²	76.1	41%	0.405	39%	0.387	S	S	.	.	H	α-helix	trans	-61.4	-38	179	-53.9	0	0	0	0	112.5	R933	R933-T937 PolarHBondContact O-N 3.13Å; R933-T937 PolarHBondContact O-OG1 2.84Å; R933-T937 VanDerWaalsContact O-OG1 3.1Å
938	L	75.3	Confident	76	Confident	59 Å²	59	77.1 Å²	77.1	31%	0.309	39%	0.385	S	S	.	.	H	α-helix	trans	-68.2	-37.4	173.7	-175.2	60.2	0	0	0	112.3	T934 H935 L936 R941 T959 C960	T934-L938 WeakPolarHBondContact O-CB 3.47Å; T934-L938 PolarHBondContact O-N 2.91Å; T934-L938 VanDerWaalsContact O-N 3.14Å; H935-L938 PolarHBondContact O-N 3.34Å; L936-L938 VanDerWaalsContact C-N 3.31Å; L936-L938 PolarHBondContact O-N 2.95Å; L938-R941 WeakPolarHBondContact O-CB 3.42Å; L938-R941 PolarHBondContact O-N 2.88Å; L938-T959 WeakPolarHBondContact CD1-OG1 3.15Å; L938-C960 HydrophobicContact CD1-CB 3.87Å
939	H	79.4	Confident	76	Confident	19 Å²	19	75.5 Å²	75.5	9%	0.088	38%	0.376	C	S	.	.	H	α-helix	trans	-69.7	-36.2	176.3	171.8	61.4	0	0	0	112.8	C923 C926 F930 H935 L936 R941 I942 H943	C923-H939 VanDerWaalsContact SG-CD2 3.52Å; C926-H939 PolarHBondContact SG-NE2 3.47Å; F930-H939 HydrophobicContact CE1-CB 4.07Å; F930-H939 HydrophobicContact CE2-CB 3.77Å; F930-H939 AromaticContact CE2-CD2 3.29Å; F930-H939 WeakPolarHBondContact CE2-CD2 3.28Å; F930-H939 AromaticContact CE2-CG 3.56Å; F930-H939 HydrophobicContact CZ-CB 3.44Å; F930-H939 VanDerWaalsContact CZ-CB 3.44Å; F930-H939 AromaticContact CZ-CD2 3.49Å; F930-H939 VanDerWaalsContact CZ-CD2 3.49Å; F930-H939 WeakPolarHBondContact CZ-CD2 3.34Å; F930-H939 AromaticContact CZ-CG 3.28Å; F930-H939 AromaticContact CZ-ND1 3.89Å; H935-H939 VanDerWaalsContact O-CB 3.26Å; H935-H939 WeakPolarHBondContact O-CB 3.19Å; H935-H939 PolarHBondContact O-N 3.42Å; L936-H939 CarbonylContact O-C 3.56Å; L936-H939 WeakPolarHBondContact O-CB 3.39Å; L936-H939 PolarHBondContact O-N 3.4Å; L936-H939 VanDerWaalsContact O-N 3.08Å; H939-R941 PolarHBondContact O-N 2.84Å; H939-I942 VanDerWaalsContact O-CB 3.26Å; H939-I942 WeakPolarHBondContact O-CB 3.16Å; H939-I942 WeakPolarHBondContact O-CG1 3.37Å; H939-I942 PolarHBondContact O-N 3.19Å; H939-H943 AromaticContact CD2-NE2 3.78Å; H939-H943 AromaticContact CE1-CE1 3.85Å; H939-H943 AromaticContact CE1-NE2 3.4Å; H939-H943 PolarHBondContact CE1-NE2 3.44Å; H939-H943 AromaticContact NE2-CD2 3.97Å; H939-H943 AromaticContact NE2-CE1 3.8Å; H939-H943 AromaticContact NE2-NE2 3Å; H939-H943 PolarHBondContact NE2-NE2 2.98Å
940	Q	77.3	Confident	76.1	Confident	76 Å²	76	79.1 Å²	79.1	36%	0.355	39%	0.389	S	S	.	.	H	α-helix	trans	-58.7	-31.2	176.5	-75.4	172	-57.2	0	0	112.3	L936 I942 H943 T944	L936-Q940 HydrophobicContact CD1-CG 3.94Å; L936-Q940 HydrophobicContact CG-CG 4.35Å; L936-Q940 WeakPolarHBondContact O-CG 3.31Å; L936-Q940 PolarHBondContact O-N 2.9Å; Q940-I942 PolarHBondContact O-N 3.14Å; Q940-H943 PolarHBondContact O-N 3.2Å; Q940-T944 PolarHBondContact O-N 3.2Å; Q940-T944 VanDerWaalsContact O-N 3.16Å
941	R	79.8	Confident	76.3	Confident	54 Å²	54	76.8 Å²	76.8	20%	0.204	38%	0.379	C	S	.	.	H	α-helix	trans	-62.2	-21.2	172.3	-65.9	-169.8	161.4	135.5	10.4	114.9	L938 H939 H943 G945 D946 T959	L938-R941 WeakPolarHBondContact O-CB 3.42Å; L938-R941 PolarHBondContact O-N 2.88Å; H939-R941 PolarHBondContact O-N 2.84Å; R941-H943 VanDerWaalsContact C-N 3.33Å; R941-G945 CarbonylContact O-C 3.3Å; R941-G945 WeakPolarHBondContact O-CA 3.44Å; R941-G945 PolarHBondContact O-N 3.38Å; R941-D946 HydrophobicContact CB-CB 4.23Å; R941-D946 WeakPolarHBondContact CB-O 3.22Å; R941-D946 WeakPolarHBondContact CD-O 3.15Å; R941-D946 WeakPolarHBondContact CD-OD2 3.19Å; R941-D946 HydrophobicContact CG-CB 3.99Å; R941-D946 IonicContact CZ-OD2 2.79Å; R941-D946 IonicContact NE-OD2 3.74Å; R941-D946 PolarHBondContact NE-OD2 3.41Å; R941-D946 IonicContact NH2-OD2 3.7Å; R941-D946 PolarHBondContact O-N 2.91Å; R941-T959 WeakPolarHBondContact CD-O 3.42Å; R941-T959 PolarHBondContact NH1-O 3.34Å
942	I	73.6	Confident	76.3	Confident	119 Å²	119	82.4 Å²	82.4	61%	0.61	41%	0.406	S	S	*	.	H	α-helix	trans	-71.1	-34.6	174.5	-55.5	178	0	0	0	110	H939 Q940	H939-I942 VanDerWaalsContact O-CB 3.26Å; H939-I942 WeakPolarHBondContact O-CB 3.16Å; H939-I942 WeakPolarHBondContact O-CG1 3.37Å; H939-I942 PolarHBondContact O-N 3.19Å; Q940-I942 PolarHBondContact O-N 3.14Å
943	H	74.6	Confident	76.5	Confident	75 Å²	75	85.6 Å²	85.6	35%	0.347	42%	0.42	S	S	.	.	H	α-helix	trans	-80	-33.1	177.7	-55.7	-55	0	0	0	112.9	C923 T925 C926 H939 Q940 R941	C923-H943 VanDerWaalsContact SG-CD2 3.54Å; C923-H943 PolarHBondContact SG-NE2 3.47Å; C923-H943 VanDerWaalsContact SG-NE2 3.43Å; T925-H943 HydrophobicContact CG2-CB 4.08Å; C926-H943 PolarHBondContact SG-CE1 2.81Å; C926-H943 PolarHBondContact SG-NE2 3.07Å; H939-H943 AromaticContact CD2-NE2 3.78Å; H939-H943 AromaticContact CE1-CE1 3.85Å; H939-H943 AromaticContact CE1-NE2 3.4Å; H939-H943 PolarHBondContact CE1-NE2 3.44Å; H939-H943 AromaticContact NE2-CD2 3.97Å; H939-H943 AromaticContact NE2-CE1 3.8Å; H939-H943 AromaticContact NE2-NE2 3Å; H939-H943 PolarHBondContact NE2-NE2 2.98Å; Q940-H943 PolarHBondContact O-N 3.2Å; R941-H943 VanDerWaalsContact C-N 3.33Å
944	T	70.3	Confident	76.8	Confident	103 Å²	103	80 Å²	80	63%	0.632	41%	0.406	S	S	*	.	H	α-helix	trans	-92.3	-3.6	179.4	64.3	0	0	0	0	114.1	Q940 D946	Q940-T944 PolarHBondContact O-N 3.2Å; Q940-T944 VanDerWaalsContact O-N 3.16Å; T944-D946 PolarHBondContact O-N 2.88Å; T944-D946 VanDerWaalsContact O-N 3.1Å; T944-D946 VanDerWaalsContact OG1-CB 3.3Å; T944-D946 WeakPolarHBondContact OG1-CB 3.35Å; T944-D946 PolarHBondContact OG1-N 3Å
945	G	70.5	Confident	76.9	Confident	50 Å²	50	78 Å²	78	52%	0.515	40%	0.403	S	S	.	.			trans	67.3	0.2	-172.8	0	0	0	0	0	115.3	R941 R947	R941-G945 CarbonylContact O-C 3.3Å; R941-G945 WeakPolarHBondContact O-CA 3.44Å; R941-G945 PolarHBondContact O-N 3.38Å; G945-R947 WeakPolarHBondContact O-CG 3.38Å; G945-R947 PolarHBondContact O-N 3.35Å
946	D	72.6	Confident	77	Confident	64 Å²	64	79.4 Å²	79.4	34%	0.342	41%	0.408	S	S	.	.			trans	-61	121.6	-169.2	174.4	36.2	0	0	0	112.8	R941 T944 P948	R941-D946 HydrophobicContact CB-CB 4.23Å; R941-D946 WeakPolarHBondContact CB-O 3.22Å; R941-D946 WeakPolarHBondContact CD-O 3.15Å; R941-D946 WeakPolarHBondContact CD-OD2 3.19Å; R941-D946 HydrophobicContact CG-CB 3.99Å; R941-D946 IonicContact CZ-OD2 2.79Å; R941-D946 IonicContact NE-OD2 3.74Å; R941-D946 PolarHBondContact NE-OD2 3.41Å; R941-D946 IonicContact NH2-OD2 3.7Å; R941-D946 PolarHBondContact O-N 2.91Å; T944-D946 PolarHBondContact O-N 2.88Å; T944-D946 VanDerWaalsContact O-N 3.1Å; T944-D946 VanDerWaalsContact OG1-CB 3.3Å; T944-D946 WeakPolarHBondContact OG1-CB 3.35Å; T944-D946 PolarHBondContact OG1-N 3Å; D946-P948 VanDerWaalsContact OD1-CD 3.31Å; D946-P948 WeakPolarHBondContact OD1-CD 3.41Å; D946-P948 VanDerWaalsContact OD1-CG 3.25Å; D946-P948 WeakPolarHBondContact OD1-CG 3.23Å; D946-P948 WeakPolarHBondContact OD2-CG 3.29Å
947	R	77.3	Confident	76.8	Confident	156 Å²	156	80.3 Å²	80.3	59%	0.589	42%	0.416	S	S	*	.			trans	-132.6	72	-177.4	-74.1	168.1	171	-167.5	2.3	111	G945 Y949 S957 F958 T959	G945-R947 WeakPolarHBondContact O-CG 3.38Å; G945-R947 PolarHBondContact O-N 3.35Å; R947-Y949 PolarHBondContact O-N 3.19Å; R947-S957 WeakPolarHBondContact CD-O 3.34Å; R947-S957 WeakPolarHBondContact O-CB 3.35Å; R947-F958 CarbonylContact C-O 3.55Å; R947-F958 VanDerWaalsContact C-O 3.24Å; R947-F958 VanDerWaalsContact CA-O 3.26Å; R947-F958 WeakPolarHBondContact CA-O 3.39Å; R947-T959 HydrophobicContact CG-CG2 4.1Å
948	P	74.3	Confident	77	Confident	64 Å²	64	79.3 Å²	79.3	42%	0.416	41%	0.406	S	S	.	.			trans	-69.6	-1.4	-171.3	-17.5	29.6	0	0	0	116.2	D946	D946-P948 VanDerWaalsContact OD1-CD 3.31Å; D946-P948 WeakPolarHBondContact OD1-CD 3.41Å; D946-P948 VanDerWaalsContact OD1-CG 3.25Å; D946-P948 WeakPolarHBondContact OD1-CG 3.23Å; D946-P948 WeakPolarHBondContact OD2-CG 3.29Å
949	Y	78.5	Confident	77	Confident	93 Å²	93	77.9 Å²	77.9	37%	0.365	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	81.4	-169.2	-59.6	-84.7	0	0	0	110	R947 F958 C960	R947-Y949 PolarHBondContact O-N 3.19Å; Y949-F958 PolarHBondContact N-O 3.16Å; Y949-F958 WeakPolarHBondContact O-CD2 3.5Å; Y949-F958 PolarHBondContact O-N 2.94Å; Y949-C960 VanDerWaalsContact CD2-CA 3.43Å
950	E	78.4	Confident	76.8	Confident	116 Å²	116	78 Å²	78	54%	0.542	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	139.2	179.1	-172.2	178.3	162.8	0	0	113	S957 L964	E950-S957 WeakPolarHBondContact CB-OG 3.28Å; E950-S957 WeakPolarHBondContact CG-OG 3.13Å; E950-L964 WeakPolarHBondContact O-CD2 3.42Å
951	C	83.9	Confident	76.8	Confident	0 Å²	0	75.3 Å²	75.3	0%	0	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	101.8	171.4	-167.4	0	0	0	0	110.9	E953 C954 G955 K956 F958 L964 H967 H971	C951-E953 PolarHBondContact O-N 3.03Å; C951-C954 PolarHBondContact O-N 3.24Å; C951-G955 PolarHBondContact O-N 2.98Å; C951-K956 VanDerWaalsContact CB-O 3.3Å; C951-K956 WeakPolarHBondContact CB-O 3.29Å; C951-K956 PolarHBondContact N-O 3.31Å; C951-F958 HydrophobicContact CB-CE2 4.37Å; C951-L964 HydrophobicContact CB-CD1 3.5Å; C951-H967 VanDerWaalsContact SG-CD2 3.58Å; C951-H971 PolarHBondContact SG-NE2 3.45Å
952	K	77	Confident	76.6	Confident	206 Å²	206	76.9 Å²	76.9	90%	0.896	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.6	-22.3	179.7	-65	-167.1	173.1	-164.6	0	115.2
953	E	77.8	Confident	76.7	Confident	112 Å²	112	73.8 Å²	73.8	52%	0.523	40%	0.397	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84	-14.2	-179.3	-64.2	163.4	137.8	0	0	113.5	C951 H971	C951-E953 PolarHBondContact O-N 3.03Å; E953-H971 IonicContact OE2-CD2 3.05Å; E953-H971 PolarHBondContact OE2-CD2 3.04Å; E953-H971 IonicContact OE2-CG 3.47Å
954	C	82.4	Confident	77	Confident	50 Å²	50	71.2 Å²	71.2	34%	0.338	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	-158.7	15.4	-179	72.3	0	0	0	0	116.4	C951 K956 H967 H971	C951-C954 PolarHBondContact O-N 3.24Å; C954-K956 PolarHBondContact O-N 3.41Å; C954-H967 PolarHBondContact SG-NE2 2.88Å; C954-H971 PolarHBondContact SG-NE2 3.24Å; C954-H971 VanDerWaalsContact SG-NE2 3.38Å
955	G	75.6	Confident	77.4	Confident	44 Å²	44	70.9 Å²	70.9	45%	0.454	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.7	2.4	178	0	0	0	0	0	116.1	C951 S957	C951-G955 PolarHBondContact O-N 2.98Å; G955-S957 PolarHBondContact O-N 2.86Å
956	K	80	Confident	77.8	Confident	123 Å²	123	74.2 Å²	74.2	54%	0.535	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	120.8	-176.2	-70.9	176.8	-174.3	171.3	0	110.8	C951 C954 F958	C951-K956 VanDerWaalsContact CB-O 3.3Å; C951-K956 WeakPolarHBondContact CB-O 3.29Å; C951-K956 PolarHBondContact N-O 3.31Å; C954-K956 PolarHBondContact O-N 3.41Å; K956-F958 HydrophobicContact CB-CE2 3.84Å; K956-F958 HydrophobicContact CB-CZ 4.04Å; K956-F958 VanDerWaalsContact O-CD2 3.3Å; K956-F958 WeakPolarHBondContact O-CD2 3.44Å; K956-F958 WeakPolarHBondContact O-CE2 3.32Å
957	S	78.4	Confident	78.2	Confident	38 Å²	38	72.3 Å²	72.3	27%	0.266	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	138.3	-176.3	-60.2	0	0	0	0	113.3	R947 E950 G955	R947-S957 WeakPolarHBondContact CD-O 3.34Å; R947-S957 WeakPolarHBondContact O-CB 3.35Å; E950-S957 WeakPolarHBondContact CB-OG 3.28Å; E950-S957 WeakPolarHBondContact CG-OG 3.13Å; G955-S957 PolarHBondContact O-N 2.86Å
958	F	80.6	Confident	78.3	Confident	45 Å²	45	68 Å²	68	20%	0.197	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	156.9	-171.3	-63.3	-86.9	0	0	0	113.1	R947 Y949 C951 K956 E963 L964 H967	R947-F958 CarbonylContact C-O 3.55Å; R947-F958 VanDerWaalsContact C-O 3.24Å; R947-F958 VanDerWaalsContact CA-O 3.26Å; R947-F958 WeakPolarHBondContact CA-O 3.39Å; Y949-F958 PolarHBondContact N-O 3.16Å; Y949-F958 WeakPolarHBondContact O-CD2 3.5Å; Y949-F958 PolarHBondContact O-N 2.94Å; C951-F958 HydrophobicContact CB-CE2 4.37Å; K956-F958 HydrophobicContact CB-CE2 3.84Å; K956-F958 HydrophobicContact CB-CZ 4.04Å; K956-F958 VanDerWaalsContact O-CD2 3.3Å; K956-F958 WeakPolarHBondContact O-CD2 3.44Å; K956-F958 WeakPolarHBondContact O-CE2 3.32Å; F958-E963 HydrophobicContact CB-CB 3.93Å; F958-E963 HydrophobicContact CD1-CB 3.8Å; F958-E963 HydrophobicContact CG-CB 4.1Å; F958-L964 HydrophobicContact CB-CB 4.39Å; F958-L964 HydrophobicContact CD2-CB 4.09Å; F958-L964 HydrophobicContact CD2-CD1 4.08Å; F958-L964 HydrophobicContact CE2-CD1 4.38Å; F958-L964 HydrophobicContact CG-CB 4.45Å; F958-H967 HydrophobicContact CE1-CB 4.11Å; F958-H967 HydrophobicContact CE2-CB 3.85Å; F958-H967 AromaticContact CE2-CD2 3.23Å; F958-H967 WeakPolarHBondContact CE2-CD2 3.48Å; F958-H967 AromaticContact CE2-CG 3.68Å; F958-H967 HydrophobicContact CZ-CB 3.53Å; F958-H967 AromaticContact CZ-CD2 3.33Å; F958-H967 WeakPolarHBondContact CZ-CD2 3.48Å; F958-H967 AromaticContact CZ-CG 3.35Å
959	T	75.5	Confident	78.7	Confident	29 Å²	29	67.2 Å²	67.2	18%	0.178	34%	0.34	C	S	.	.	S	Bend	trans	-77.8	-23.8	-176.2	71.5	0	0	0	0	113.1	L938 R941 R947 E963	L938-T959 WeakPolarHBondContact CD1-OG1 3.15Å; R941-T959 WeakPolarHBondContact CD-O 3.42Å; R941-T959 PolarHBondContact NH1-O 3.34Å; R947-T959 HydrophobicContact CG-CG2 4.1Å; T959-E963 PolarHBondContact N-OE2 3.03Å; T959-E963 PolarHBondContact OG1-OE2 3.5Å
960	C	74.4	Confident	78.7	Confident	21 Å²	21	65.6 Å²	65.6	14%	0.142	34%	0.34	C	S	.	.	S	Bend	trans	-145.5	150.9	172.9	65.4	0	0	0	0	113.6	L938 Y949 S962 E963 L964	L938-C960 HydrophobicContact CD1-CB 3.87Å; Y949-C960 VanDerWaalsContact CD2-CA 3.43Å; C960-S962 PolarHBondContact O-N 3.46Å; C960-S962 VanDerWaalsContact O-N 3.12Å; C960-S962 PolarHBondContact SG-OG 3.43Å; C960-E963 PolarHBondContact N-OE2 3.02Å; C960-E963 WeakPolarHBondContact O-CB 3.19Å; C960-E963 PolarHBondContact O-N 2.86Å; C960-E963 VanDerWaalsContact SG-CD 3.59Å; C960-E963 VanDerWaalsContact SG-CG 3.51Å; C960-E963 PolarHBondContact SG-OE2 2.88Å; C960-E963 VanDerWaalsContact SG-OE2 3.4Å; C960-L964 PolarHBondContact O-N 2.85Å
961	G	76.8	Confident	78.7	Confident	19 Å²	19	63.8 Å²	63.8	20%	0.196	33%	0.332	C	S	.	.	H	α-helix	trans	-60.3	-23.7	-177.4	0	0	0	0	0	115.2	E963 L964 I965	G961-E963 VanDerWaalsContact C-N 3.32Å; G961-L964 PolarHBondContact O-N 3.06Å; G961-I965 VanDerWaalsContact O-CG1 3.3Å; G961-I965 WeakPolarHBondContact O-CG1 3.41Å; G961-I965 PolarHBondContact O-N 3.25Å
962	S	75.6	Confident	78.2	Confident	87 Å²	87	67.4 Å²	67.4	61%	0.608	35%	0.354	S	S	*	.	H	α-helix	trans	-71.2	-25.1	173	41.4	0	0	0	0	113.6	C960 R966	C960-S962 PolarHBondContact O-N 3.46Å; C960-S962 VanDerWaalsContact O-N 3.12Å; C960-S962 PolarHBondContact SG-OG 3.43Å; S962-R966 VanDerWaalsContact O-CB 3.29Å; S962-R966 WeakPolarHBondContact O-CB 3.32Å; S962-R966 PolarHBondContact O-N 3.19Å
963	E	75.9	Confident	78.2	Confident	54 Å²	54	59.5 Å²	59.5	25%	0.252	33%	0.33	S	S	.	.	H	α-helix	trans	-76.8	-41.3	170.8	-67.4	173.1	135.8	0	0	110.7	F958 T959 C960 G961 R966 H967	F958-E963 HydrophobicContact CB-CB 3.93Å; F958-E963 HydrophobicContact CD1-CB 3.8Å; F958-E963 HydrophobicContact CG-CB 4.1Å; T959-E963 PolarHBondContact N-OE2 3.03Å; T959-E963 PolarHBondContact OG1-OE2 3.5Å; C960-E963 PolarHBondContact N-OE2 3.02Å; C960-E963 WeakPolarHBondContact O-CB 3.19Å; C960-E963 PolarHBondContact O-N 2.86Å; C960-E963 VanDerWaalsContact SG-CD 3.59Å; C960-E963 VanDerWaalsContact SG-CG 3.51Å; C960-E963 PolarHBondContact SG-OE2 2.88Å; C960-E963 VanDerWaalsContact SG-OE2 3.4Å; G961-E963 VanDerWaalsContact C-N 3.32Å; E963-R966 PolarHBondContact O-N 3.11Å; E963-H967 WeakPolarHBondContact O-CB 3.26Å; E963-H967 PolarHBondContact O-N 2.87Å
964	L	82.1	Confident	78.1	Confident	22 Å²	22	58.6 Å²	58.6	12%	0.115	33%	0.326	C	S	.	.	H	α-helix	trans	-58.3	-52.3	173.1	172.3	59.4	0	0	0	111.5	E950 C951 F958 C960 G961 R966 H967 Q968	E950-L964 WeakPolarHBondContact O-CD2 3.42Å; C951-L964 HydrophobicContact CB-CD1 3.5Å; F958-L964 HydrophobicContact CB-CB 4.39Å; F958-L964 HydrophobicContact CD2-CB 4.09Å; F958-L964 HydrophobicContact CD2-CD1 4.08Å; F958-L964 HydrophobicContact CE2-CD1 4.38Å; F958-L964 HydrophobicContact CG-CB 4.45Å; C960-L964 PolarHBondContact O-N 2.85Å; G961-L964 PolarHBondContact O-N 3.06Å; L964-R966 VanDerWaalsContact C-N 3.29Å; L964-R966 PolarHBondContact O-N 2.9Å; L964-H967 CarbonylContact O-C 3.59Å; L964-H967 WeakPolarHBondContact O-CA 3.48Å; L964-H967 WeakPolarHBondContact O-CB 3.18Å; L964-H967 PolarHBondContact O-N 3.38Å; L964-Q968 HydrophobicContact CD1-CG 3.93Å; L964-Q968 HydrophobicContact CG-CG 4.39Å; L964-Q968 WeakPolarHBondContact O-CG 3.46Å; L964-Q968 PolarHBondContact O-N 3.48Å
965	I	78.1	Confident	78	Confident	95 Å²	95	62.1 Å²	62.1	49%	0.487	34%	0.336	S	S	.	.	H	α-helix	trans	-60.3	-39.9	178.5	-68.2	163.2	0	0	0	111.3	G961 H967 Q968 R969	G961-I965 VanDerWaalsContact O-CG1 3.3Å; G961-I965 WeakPolarHBondContact O-CG1 3.41Å; G961-I965 PolarHBondContact O-N 3.25Å; I965-H967 PolarHBondContact O-N 2.94Å; I965-Q968 PolarHBondContact O-N 2.97Å; I965-R969 PolarHBondContact O-N 3.37Å
966	R	78.7	Confident	78.1	Confident	121 Å²	121	63 Å²	63	46%	0.457	33%	0.333	S	S	.	.	H	α-helix	trans	-62.9	-32	173.7	-179.7	-179.1	65.9	-175.3	-0.7	112.1	S962 E963 L964 C988	S962-R966 VanDerWaalsContact O-CB 3.29Å; S962-R966 WeakPolarHBondContact O-CB 3.32Å; S962-R966 PolarHBondContact O-N 3.19Å; E963-R966 PolarHBondContact O-N 3.11Å; L964-R966 VanDerWaalsContact C-N 3.29Å; L964-R966 PolarHBondContact O-N 2.9Å; R966-C988 VanDerWaalsContact CD-SG 3.59Å; R966-C988 VanDerWaalsContact CG-SG 3.58Å
967	H	80.9	Confident	78.3	Confident	24 Å²	24	60.5 Å²	60.5	11%	0.111	32%	0.321	C	S	.	.	H	α-helix	trans	-80.4	-37	176.3	174.9	49.2	0	0	0	113.2	C951 C954 F958 E963 L964 I965 R969 T970 H971	C951-H967 VanDerWaalsContact SG-CD2 3.58Å; C954-H967 PolarHBondContact SG-NE2 2.88Å; F958-H967 HydrophobicContact CE1-CB 4.11Å; F958-H967 HydrophobicContact CE2-CB 3.85Å; F958-H967 AromaticContact CE2-CD2 3.23Å; F958-H967 WeakPolarHBondContact CE2-CD2 3.48Å; F958-H967 AromaticContact CE2-CG 3.68Å; F958-H967 HydrophobicContact CZ-CB 3.53Å; F958-H967 AromaticContact CZ-CD2 3.33Å; F958-H967 WeakPolarHBondContact CZ-CD2 3.48Å; F958-H967 AromaticContact CZ-CG 3.35Å; E963-H967 WeakPolarHBondContact O-CB 3.26Å; E963-H967 PolarHBondContact O-N 2.87Å; L964-H967 CarbonylContact O-C 3.59Å; L964-H967 WeakPolarHBondContact O-CA 3.48Å; L964-H967 WeakPolarHBondContact O-CB 3.18Å; L964-H967 PolarHBondContact O-N 3.38Å; I965-H967 PolarHBondContact O-N 2.94Å; H967-R969 PolarHBondContact O-N 3.28Å; H967-T970 PolarHBondContact CE1-OG1 3.23Å; H967-T970 VanDerWaalsContact CE1-OG1 3.22Å; H967-T970 PolarHBondContact ND1-OG1 3.06Å; H967-T970 VanDerWaalsContact ND1-OG1 3.11Å; H967-T970 WeakPolarHBondContact O-CA 3.41Å; H967-T970 VanDerWaalsContact O-CB 3.25Å; H967-T970 WeakPolarHBondContact O-CB 3.21Å; H967-T970 WeakPolarHBondContact O-CG2 3.27Å; H967-T970 PolarHBondContact O-N 3.06Å; H967-T970 PolarHBondContact O-OG1 2.91Å; H967-H971 AromaticContact CD2-NE2 3.97Å; H967-H971 AromaticContact CE1-CE1 3.69Å; H967-H971 AromaticContact CE1-NE2 3.43Å; H967-H971 PolarHBondContact CE1-NE2 2.85Å; H967-H971 AromaticContact NE2-CE1 3.82Å; H967-H971 AromaticContact NE2-NE2 3.2Å; H967-H971 PolarHBondContact NE2-NE2 2.93Å; H967-H971 VanDerWaalsContact NE2-NE2 3.2Å
968	Q	79.3	Confident	78.3	Confident	66 Å²	66	62.8 Å²	62.8	31%	0.308	33%	0.33	S	S	.	.	H	α-helix	trans	-59.3	-32.7	176.5	-71	174.5	-71	0	0	111.8	L964 I965 T970 H971 T972	L964-Q968 HydrophobicContact CD1-CG 3.93Å; L964-Q968 HydrophobicContact CG-CG 4.39Å; L964-Q968 WeakPolarHBondContact O-CG 3.46Å; L964-Q968 PolarHBondContact O-N 3.48Å; I965-Q968 PolarHBondContact O-N 2.97Å; Q968-T970 PolarHBondContact O-N 3.42Å; Q968-H971 WeakPolarHBondContact O-CB 3.39Å; Q968-H971 PolarHBondContact O-N 2.73Å; Q968-T972 PolarHBondContact O-N 3.4Å
969	R	82.2	Confident	78.5	Confident	47 Å²	47	60.6 Å²	60.6	18%	0.177	32%	0.321	C	S	.	.	H	α-helix	trans	-61.8	-10	168.8	-62	-175.1	175.2	152.7	5.1	115.1	I965 H967 G973 E974 Y977 R987	I965-R969 PolarHBondContact O-N 3.37Å; H967-R969 PolarHBondContact O-N 3.28Å; R969-G973 PolarHBondContact O-N 3.39Å; R969-E974 HydrophobicContact CB-CB 4.11Å; R969-E974 HydrophobicContact CG-CB 3.85Å; R969-E974 IonicContact NE-OE2 3.22Å; R969-E974 PolarHBondContact NE-OE2 3.12Å; R969-E974 VanDerWaalsContact NE-OE2 3.1Å; R969-Y977 PolarHBondContact NH1-OH 3.2Å; R969-R987 VanDerWaalsContact C-NE 3.27Å; R969-R987 HydrophobicContact CB-CG 3.66Å; R969-R987 PolarHBondContact NH1-O 3.28Å; R969-R987 PolarHBondContact O-NE 3.37Å; R969-R987 PolarHBondContact O-NH2 3.37Å
970	T	78.2	Confident	78.6	Confident	59 Å²	59	67.7 Å²	67.7	36%	0.362	35%	0.349	S	S	.	.	H	α-helix	trans	-74.2	-31.7	168.1	72.3	0	0	0	0	112.1	H967 Q968	H967-T970 PolarHBondContact CE1-OG1 3.23Å; H967-T970 VanDerWaalsContact CE1-OG1 3.22Å; H967-T970 PolarHBondContact ND1-OG1 3.06Å; H967-T970 VanDerWaalsContact ND1-OG1 3.11Å; H967-T970 WeakPolarHBondContact O-CA 3.41Å; H967-T970 VanDerWaalsContact O-CB 3.25Å; H967-T970 WeakPolarHBondContact O-CB 3.21Å; H967-T970 WeakPolarHBondContact O-CG2 3.27Å; H967-T970 PolarHBondContact O-N 3.06Å; H967-T970 PolarHBondContact O-OG1 2.91Å; Q968-T970 PolarHBondContact O-N 3.42Å
971	H	78.4	Confident	78.8	Confident	78 Å²	78	71.4 Å²	71.4	36%	0.361	36%	0.364	S	S	.	.	H	α-helix	trans	-86.3	-49.1	178.2	-50.2	-49.5	0	0	0	110.7	C951 E953 C954 H967 Q968 G973	C951-H971 PolarHBondContact SG-NE2 3.45Å; E953-H971 IonicContact OE2-CD2 3.05Å; E953-H971 PolarHBondContact OE2-CD2 3.04Å; E953-H971 IonicContact OE2-CG 3.47Å; C954-H971 PolarHBondContact SG-NE2 3.24Å; C954-H971 VanDerWaalsContact SG-NE2 3.38Å; H967-H971 AromaticContact CD2-NE2 3.97Å; H967-H971 AromaticContact CE1-CE1 3.69Å; H967-H971 AromaticContact CE1-NE2 3.43Å; H967-H971 PolarHBondContact CE1-NE2 2.85Å; H967-H971 AromaticContact NE2-CE1 3.82Å; H967-H971 AromaticContact NE2-NE2 3.2Å; H967-H971 PolarHBondContact NE2-NE2 2.93Å; H967-H971 VanDerWaalsContact NE2-NE2 3.2Å; Q968-H971 WeakPolarHBondContact O-CB 3.39Å; Q968-H971 PolarHBondContact O-N 2.73Å; H971-G973 PolarHBondContact O-N 3.08Å; H971-G973 VanDerWaalsContact O-N 3.16Å
972	T	75.1	Confident	79	Confident	76 Å²	76	72.9 Å²	72.9	47%	0.466	37%	0.371	S	S	.	.	S	Bend	trans	-74	-2.9	179	70.1	0	0	0	0	114.7	Q968 E974	Q968-T972 PolarHBondContact O-N 3.4Å; T972-E974 PolarHBondContact O-N 3.3Å
973	G	75.1	Confident	79.1	Confident	39 Å²	39	71.7 Å²	71.7	40%	0.402	37%	0.373	S	S	.	.			trans	70	-12.1	-179	0	0	0	0	0	116.2	R969 H971	R969-G973 PolarHBondContact O-N 3.39Å; H971-G973 PolarHBondContact O-N 3.08Å; H971-G973 VanDerWaalsContact O-N 3.16Å
974	E	75.7	Confident	79.4	Confident	93 Å²	93	75.2 Å²	75.2	44%	0.435	39%	0.387	S	S	.	.			trans	-46.2	133.3	-173.6	-84.5	-177.4	-158.9	0	0	114.9	R969 T972 P976	R969-E974 HydrophobicContact CB-CB 4.11Å; R969-E974 HydrophobicContact CG-CB 3.85Å; R969-E974 IonicContact NE-OE2 3.22Å; R969-E974 PolarHBondContact NE-OE2 3.12Å; R969-E974 VanDerWaalsContact NE-OE2 3.1Å; T972-E974 PolarHBondContact O-N 3.3Å; E974-P976 HydrophobicContact CB-CG 4.26Å
975	K	80.8	Confident	79.5	Confident	125 Å²	125	76.2 Å²	76.2	54%	0.543	40%	0.399	S	S	.	.			trans	-130.2	70.4	175.9	-70.1	161.7	-179.1	173.7	0	111.9	Y977 A985 F986	K975-Y977 PolarHBondContact O-N 3.21Å; K975-A985 HydrophobicContact CB-CB 3.72Å; K975-A985 HydrophobicContact CD-CB 4.41Å; K975-A985 WeakPolarHBondContact CD-O 3.49Å; K975-F986 CarbonylContact C-O 3.59Å; K975-F986 WeakPolarHBondContact CA-O 3.18Å
976	P	78.6	Confident	79.7	Confident	61 Å²	61	73.8 Å²	73.8	40%	0.396	38%	0.384	S	S	.	.			trans	-77.1	18	-167.9	-17.7	35.5	0	0	0	116.1	E974	E974-P976 HydrophobicContact CB-CG 4.26Å
977	Y	82.9	Confident	79.8	Confident	72 Å²	72	71.2 Å²	71.2	28%	0.282	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	93.5	-175.6	-50.5	-69.3	0	0	0	110.2	R969 K975 A985 F986 R987 C988 P989	R969-Y977 PolarHBondContact NH1-OH 3.2Å; K975-Y977 PolarHBondContact O-N 3.21Å; Y977-A985 WeakPolarHBondContact O-CA 3.35Å; Y977-F986 WeakPolarHBondContact CD2-O 3.48Å; Y977-F986 PolarHBondContact N-O 3.48Å; Y977-F986 PolarHBondContact O-N 2.99Å; Y977-R987 WeakPolarHBondContact CE2-O 3.34Å; Y977-C988 VanDerWaalsContact CD2-C 3.46Å; Y977-P989 HydrophobicContact CD1-CG 4.17Å; Y977-P989 HydrophobicContact CD2-CG 4.29Å; Y977-P989 HydrophobicContact CE1-CG 3.81Å; Y977-P989 VanDerWaalsContact CE2-CD 3.49Å; Y977-P989 HydrophobicContact CE2-CG 3.92Å; Y977-P989 HydrophobicContact CG-CG 4.41Å
978	D	79	Confident	79.6	Confident	85 Å²	85	70.6 Å²	70.6	46%	0.455	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	147	177.9	59.5	-70	0	0	0	113.2	K980 L992	D978-K980 VanDerWaalsContact OD2-CG 3.29Å; D978-K980 WeakPolarHBondContact OD2-CG 3.43Å; D978-L992 WeakPolarHBondContact O-CD1 3.39Å; D978-L992 VanDerWaalsContact O-CD2 3.23Å; D978-L992 WeakPolarHBondContact O-CD2 3.45Å
979	C	84.3	Confident	79.5	Confident	0 Å²	0	70.9 Å²	70.9	0%	0	38%	0.381	C	S	.	.			trans	-97.2	100.6	166.2	-166.8	0	0	0	0	110	E981 C982 G983 K984 F986 L992 H995 H999	C979-E981 PolarHBondContact O-N 3.3Å; C979-C982 PolarHBondContact O-N 2.96Å; C979-G983 PolarHBondContact O-N 3.43Å; C979-K984 WeakPolarHBondContact CB-O 3.38Å; C979-K984 PolarHBondContact N-O 2.77Å; C979-F986 HydrophobicContact CB-CE2 4.27Å; C979-L992 HydrophobicContact CB-CD1 3.49Å; C979-L992 VanDerWaalsContact CB-CD1 3.49Å; C979-H995 VanDerWaalsContact SG-CD2 3.58Å; C979-H999 VanDerWaalsContact SG-CD2 3.56Å; C979-H999 PolarHBondContact SG-NE2 3.2Å; C979-H999 VanDerWaalsContact SG-NE2 3.42Å
980	K	78.7	Confident	79.2	Confident	178 Å²	178	72.2 Å²	72.2	77%	0.774	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.2	-25.1	-179.7	-62.7	-165	174.2	-161.5	0	114.9	D978	D978-K980 VanDerWaalsContact OD2-CG 3.29Å; D978-K980 WeakPolarHBondContact OD2-CG 3.43Å
981	E	78.4	Confident	79.3	Confident	98 Å²	98	73.2 Å²	73.2	46%	0.458	40%	0.398	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-20	174.4	-70.1	102.5	-108.4	0	0	114.9	C979 K996 H999	C979-E981 PolarHBondContact O-N 3.3Å; E981-K996 IonicContact OE1-NZ 3.34Å; E981-K996 PolarHBondContact OE1-NZ 2.75Å; E981-K996 IonicContact OE2-NZ 3.93Å; E981-K996 PolarHBondContact OE2-NZ 3.47Å; E981-H999 HydrophobicContact CG-CB 4.47Å; E981-H999 IonicContact OE2-CD2 3.56Å; E981-H999 PolarHBondContact OE2-CD2 2.75Å; E981-H999 IonicContact OE2-CG 3.35Å
982	C	81.6	Confident	79.5	Confident	51 Å²	51	70.7 Å²	70.7	35%	0.345	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	-155.2	15	-176	73.9	0	0	0	0	116.1	C979 K984 H995 H999	C979-C982 PolarHBondContact O-N 2.96Å; C982-K984 PolarHBondContact O-N 2.86Å; C982-H995 PolarHBondContact SG-NE2 3.28Å; C982-H999 VanDerWaalsContact SG-CE1 3.53Å; C982-H999 PolarHBondContact SG-NE2 3.43Å
983	G	77.4	Confident	79.6	Confident	62 Å²	62	70.7 Å²	70.7	64%	0.639	39%	0.39	S	S	*	.			trans	69.3	-11.7	179.5	0	0	0	0	0	116.4	C979 A985	C979-G983 PolarHBondContact O-N 3.43Å; G983-A985 PolarHBondContact O-N 2.57Å
984	K	82.3	Confident	79.6	Confident	128 Å²	128	73.2 Å²	73.2	56%	0.557	39%	0.391	S	S	*	.			trans	-65.6	123.5	-174.5	-70	177.8	-178.1	173.6	0	111.4	C979 C982 F986	C979-K984 WeakPolarHBondContact CB-O 3.38Å; C979-K984 PolarHBondContact N-O 2.77Å; C982-K984 PolarHBondContact O-N 2.86Å; K984-F986 HydrophobicContact CB-CE2 3.88Å; K984-F986 HydrophobicContact CB-CZ 4.03Å; K984-F986 WeakPolarHBondContact O-CD2 3.34Å; K984-F986 WeakPolarHBondContact O-CE2 3Å
985	A	82.9	Confident	79.8	Confident	43 Å²	43	69.6 Å²	69.6	36%	0.355	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	141.4	-176.9	0	0	0	0	0	112.7	K975 Y977 G983	K975-A985 HydrophobicContact CB-CB 3.72Å; K975-A985 HydrophobicContact CD-CB 4.41Å; K975-A985 WeakPolarHBondContact CD-O 3.49Å; Y977-A985 WeakPolarHBondContact O-CA 3.35Å; G983-A985 PolarHBondContact O-N 2.57Å
986	F	83.1	Confident	79.7	Confident	43 Å²	43	66.9 Å²	66.9	19%	0.189	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	152.6	-173.4	-62.3	-87.1	0	0	0	112.8	K975 Y977 C979 K984 Q991 L992 H995	K975-F986 CarbonylContact C-O 3.59Å; K975-F986 WeakPolarHBondContact CA-O 3.18Å; Y977-F986 WeakPolarHBondContact CD2-O 3.48Å; Y977-F986 PolarHBondContact N-O 3.48Å; Y977-F986 PolarHBondContact O-N 2.99Å; C979-F986 HydrophobicContact CB-CE2 4.27Å; K984-F986 HydrophobicContact CB-CE2 3.88Å; K984-F986 HydrophobicContact CB-CZ 4.03Å; K984-F986 WeakPolarHBondContact O-CD2 3.34Å; K984-F986 WeakPolarHBondContact O-CE2 3Å; F986-Q991 HydrophobicContact CB-CB 4.05Å; F986-Q991 HydrophobicContact CD1-CB 3.84Å; F986-Q991 HydrophobicContact CG-CB 4.22Å; F986-L992 HydrophobicContact CB-CB 4.26Å; F986-L992 HydrophobicContact CD2-CB 3.96Å; F986-L992 HydrophobicContact CD2-CD1 3.92Å; F986-L992 HydrophobicContact CE2-CD1 4.17Å; F986-L992 HydrophobicContact CG-CB 4.27Å; F986-H995 HydrophobicContact CE1-CB 3.98Å; F986-H995 HydrophobicContact CE2-CB 3.92Å; F986-H995 AromaticContact CE2-CD2 3.25Å; F986-H995 WeakPolarHBondContact CE2-CD2 3.22Å; F986-H995 AromaticContact CE2-CG 3.66Å; F986-H995 HydrophobicContact CZ-CB 3.5Å; F986-H995 VanDerWaalsContact CZ-CB 3.5Å; F986-H995 AromaticContact CZ-CD2 3.33Å; F986-H995 WeakPolarHBondContact CZ-CD2 3.31Å; F986-H995 AromaticContact CZ-CG 3.27Å; F986-H995 AromaticContact CZ-ND1 3.93Å; F986-H995 AromaticContact CZ-NE2 4Å
987	R	80.7	Confident	79.6	Confident	67 Å²	67	67.6 Å²	67.6	25%	0.253	36%	0.357	S	S	.	.	S	Bend	trans	-76.2	-25.1	-179.9	-176.7	172.9	-68.8	138.4	-4.7	113.3	R969 Y977	R969-R987 VanDerWaalsContact C-NE 3.27Å; R969-R987 HydrophobicContact CB-CG 3.66Å; R969-R987 PolarHBondContact NH1-O 3.28Å; R969-R987 PolarHBondContact O-NE 3.37Å; R969-R987 PolarHBondContact O-NH2 3.37Å; Y977-R987 WeakPolarHBondContact CE2-O 3.34Å
988	C	76.1	Confident	79.2	Confident	12 Å²	12	68.2 Å²	68.2	8%	0.081	36%	0.364	C	S	.	.	S	Bend	trans	-135.1	146	-173.8	-43.5	0	0	0	0	111.6	R966 Y977 S990 Q991 L992	R966-C988 VanDerWaalsContact CD-SG 3.59Å; R966-C988 VanDerWaalsContact CG-SG 3.58Å; Y977-C988 VanDerWaalsContact CD2-C 3.46Å; C988-S990 VanDerWaalsContact C-N 3.29Å; C988-S990 PolarHBondContact O-N 3.24Å; C988-Q991 HydrophobicContact CB-CB 4.44Å; C988-Q991 HydrophobicContact CB-CG 4.06Å; C988-Q991 PolarHBondContact O-N 3.3Å; C988-Q991 VanDerWaalsContact O-N 3.15Å; C988-Q991 PolarHBondContact SG-OE1 3.34Å; C988-L992 PolarHBondContact O-N 3.45Å
989	P	78.8	Confident	79.1	Confident	71 Å²	71	67.8 Å²	67.8	46%	0.461	36%	0.36	S	S	.	.	H	α-helix	trans	-60.3	-37.3	176.5	-22.1	33.2	0	0	0	113	Y977 Q991 L992 S993	Y977-P989 HydrophobicContact CD1-CG 4.17Å; Y977-P989 HydrophobicContact CD2-CG 4.29Å; Y977-P989 HydrophobicContact CE1-CG 3.81Å; Y977-P989 VanDerWaalsContact CE2-CD 3.49Å; Y977-P989 HydrophobicContact CE2-CG 3.92Å; Y977-P989 HydrophobicContact CG-CG 4.41Å; P989-Q991 VanDerWaalsContact C-N 3.28Å; P989-Q991 PolarHBondContact O-N 2.85Å; P989-L992 PolarHBondContact O-N 3.19Å; P989-S993 PolarHBondContact O-N 2.83Å; P989-S993 PolarHBondContact O-OG 3.38Å
990	S	76	Confident	78.4	Confident	76 Å²	76	71.6 Å²	71.6	53%	0.531	38%	0.383	S	S	.	.	H	α-helix	trans	-62.8	-32.5	178.4	52.3	0	0	0	0	113.4	C988 Q994	C988-S990 VanDerWaalsContact C-N 3.29Å; C988-S990 PolarHBondContact O-N 3.24Å; S990-Q994 VanDerWaalsContact O-CB 3.27Å; S990-Q994 WeakPolarHBondContact O-CB 3.4Å; S990-Q994 PolarHBondContact O-N 2.87Å
991	Q	78.9	Confident	77.9	Confident	80 Å²	80	65.1 Å²	65.1	37%	0.374	37%	0.367	S	S	.	.	H	α-helix	trans	-71.5	-40.8	176.4	-68	173.3	-41.5	0	0	110.8	F986 C988 P989 Q994 H995	F986-Q991 HydrophobicContact CB-CB 4.05Å; F986-Q991 HydrophobicContact CD1-CB 3.84Å; F986-Q991 HydrophobicContact CG-CB 4.22Å; C988-Q991 HydrophobicContact CB-CB 4.44Å; C988-Q991 HydrophobicContact CB-CG 4.06Å; C988-Q991 PolarHBondContact O-N 3.3Å; C988-Q991 VanDerWaalsContact O-N 3.15Å; C988-Q991 PolarHBondContact SG-OE1 3.34Å; P989-Q991 VanDerWaalsContact C-N 3.28Å; P989-Q991 PolarHBondContact O-N 2.85Å; Q991-Q994 PolarHBondContact O-N 3.28Å; Q991-H995 VanDerWaalsContact O-CB 3.28Å; Q991-H995 WeakPolarHBondContact O-CB 3.36Å; Q991-H995 PolarHBondContact O-N 3.19Å
992	L	82.8	Confident	77.5	Confident	25 Å²	25	65.3 Å²	65.3	13%	0.131	37%	0.368	C	S	.	.	H	α-helix	trans	-62.9	-46.3	171.8	172.9	60.6	0	0	0	111.6	D978 C979 F986 C988 P989 Q994 H995 K996	D978-L992 WeakPolarHBondContact O-CD1 3.39Å; D978-L992 VanDerWaalsContact O-CD2 3.23Å; D978-L992 WeakPolarHBondContact O-CD2 3.45Å; C979-L992 HydrophobicContact CB-CD1 3.49Å; C979-L992 VanDerWaalsContact CB-CD1 3.49Å; F986-L992 HydrophobicContact CB-CB 4.26Å; F986-L992 HydrophobicContact CD2-CB 3.96Å; F986-L992 HydrophobicContact CD2-CD1 3.92Å; F986-L992 HydrophobicContact CE2-CD1 4.17Å; F986-L992 HydrophobicContact CG-CB 4.27Å; C988-L992 PolarHBondContact O-N 3.45Å; P989-L992 PolarHBondContact O-N 3.19Å; L992-Q994 VanDerWaalsContact C-N 3.32Å; L992-Q994 PolarHBondContact O-N 2.84Å; L992-H995 PolarHBondContact O-N 3.23Å; L992-K996 HydrophobicContact CD1-CD 4.3Å; L992-K996 HydrophobicContact CD1-CG 4.2Å; L992-K996 HydrophobicContact CG-CD 4.39Å; L992-K996 WeakPolarHBondContact O-CG 3.33Å; L992-K996 PolarHBondContact O-N 3.19Å
993	S	78.1	Confident	77.1	Confident	75 Å²	75	68.4 Å²	68.4	52%	0.524	38%	0.376	S	S	.	.	H	α-helix	trans	-63.1	-35.7	176.7	-59.4	0	0	0	0	113	P989	P989-S993 PolarHBondContact O-N 2.83Å; P989-S993 PolarHBondContact O-OG 3.38Å
994	Q	74	Confident	76.6	Confident	92 Å²	92	68.9 Å²	68.9	43%	0.43	37%	0.366	S	S	.	.	H	α-helix	trans	-69	-41	173.2	179.5	175.6	6.4	0	0	111.5	S990 Q991 L992 R997 Y1016	S990-Q994 VanDerWaalsContact O-CB 3.27Å; S990-Q994 WeakPolarHBondContact O-CB 3.4Å; S990-Q994 PolarHBondContact O-N 2.87Å; Q991-Q994 PolarHBondContact O-N 3.28Å; L992-Q994 VanDerWaalsContact C-N 3.32Å; L992-Q994 PolarHBondContact O-N 2.84Å; Q994-R997 PolarHBondContact O-N 3.19Å; Q994-Y1016 HydrophobicContact CG-CD1 3.79Å; Q994-Y1016 HydrophobicContact CG-CE1 3.43Å; Q994-Y1016 VanDerWaalsContact CG-CE1 3.43Å
995	H	81.5	Confident	76.3	Confident	18 Å²	18	66.7 Å²	66.7	8%	0.083	36%	0.355	C	S	.	.	H	α-helix	trans	-65.9	-39.7	178.2	169.6	55.4	0	0	0	113	C979 C982 F986 Q991 L992 R997 I998 H999	C979-H995 VanDerWaalsContact SG-CD2 3.58Å; C982-H995 PolarHBondContact SG-NE2 3.28Å; F986-H995 HydrophobicContact CE1-CB 3.98Å; F986-H995 HydrophobicContact CE2-CB 3.92Å; F986-H995 AromaticContact CE2-CD2 3.25Å; F986-H995 WeakPolarHBondContact CE2-CD2 3.22Å; F986-H995 AromaticContact CE2-CG 3.66Å; F986-H995 HydrophobicContact CZ-CB 3.5Å; F986-H995 VanDerWaalsContact CZ-CB 3.5Å; F986-H995 AromaticContact CZ-CD2 3.33Å; F986-H995 WeakPolarHBondContact CZ-CD2 3.31Å; F986-H995 AromaticContact CZ-CG 3.27Å; F986-H995 AromaticContact CZ-ND1 3.93Å; F986-H995 AromaticContact CZ-NE2 4Å; Q991-H995 VanDerWaalsContact O-CB 3.28Å; Q991-H995 WeakPolarHBondContact O-CB 3.36Å; Q991-H995 PolarHBondContact O-N 3.19Å; L992-H995 PolarHBondContact O-N 3.23Å; H995-R997 PolarHBondContact O-N 3.45Å; H995-R997 VanDerWaalsContact O-N 3.1Å; H995-I998 VanDerWaalsContact O-CB 3.29Å; H995-I998 WeakPolarHBondContact O-CB 3.49Å; H995-I998 VanDerWaalsContact O-CG1 3.32Å; H995-I998 WeakPolarHBondContact O-CG1 3.49Å; H995-I998 PolarHBondContact O-N 3.35Å; H995-H999 AromaticContact CD2-NE2 3.98Å; H995-H999 AromaticContact CE1-CE1 3.95Å; H995-H999 AromaticContact CE1-NE2 3.55Å; H995-H999 AromaticContact NE2-CE1 3.92Å; H995-H999 AromaticContact NE2-NE2 3.16Å; H995-H999 PolarHBondContact NE2-NE2 3.06Å; H995-H999 VanDerWaalsContact NE2-NE2 3.16Å
996	K	77	Confident	76.1	Confident	68 Å²	68	70.8 Å²	70.8	30%	0.296	37%	0.367	S	S	.	.	H	α-helix	trans	-57	-25.5	178.6	-81.6	177.5	150	-72.5	0	114	E981 L992 I998 H999 T1000	E981-K996 IonicContact OE1-NZ 3.34Å; E981-K996 PolarHBondContact OE1-NZ 2.75Å; E981-K996 IonicContact OE2-NZ 3.93Å; E981-K996 PolarHBondContact OE2-NZ 3.47Å; L992-K996 HydrophobicContact CD1-CD 4.3Å; L992-K996 HydrophobicContact CD1-CG 4.2Å; L992-K996 HydrophobicContact CG-CD 4.39Å; L992-K996 WeakPolarHBondContact O-CG 3.33Å; L992-K996 PolarHBondContact O-N 3.19Å; K996-I998 PolarHBondContact O-N 3.45Å; K996-H999 PolarHBondContact O-N 2.85Å; K996-T1000 PolarHBondContact O-N 2.83Å
997	R	77.3	Confident	75.9	Confident	75 Å²	75	68.8 Å²	68.8	28%	0.283	36%	0.358	S	S	.	.	H	α-helix	trans	-62.8	-18.6	173.4	-63	-174.1	178.8	-175.4	0.6	114.2	Q994 H995 T1000 G1001 E1002 T1004 Y1005 F1015	Q994-R997 PolarHBondContact O-N 3.19Å; H995-R997 PolarHBondContact O-N 3.45Å; H995-R997 VanDerWaalsContact O-N 3.1Å; R997-T1000 WeakPolarHBondContact CA-OG1 3.39Å; R997-G1001 PolarHBondContact O-N 2.89Å; R997-E1002 PolarHBondContact O-N 3.12Å; R997-T1004 PolarHBondContact NH1-OG1 2.88Å; R997-Y1005 PolarHBondContact NH1-OH 3.26Å; R997-F1015 WeakPolarHBondContact O-CD1 3.43Å; R997-F1015 WeakPolarHBondContact O-CE1 3.37Å
998	I	75.2	Confident	75.6	Confident	85 Å²	85	70.7 Å²	70.7	44%	0.436	38%	0.379	S	S	.	.	H	α-helix	trans	-71.8	-37.3	172.6	-55.5	178.2	0	0	0	110	H995 K996	H995-I998 VanDerWaalsContact O-CB 3.29Å; H995-I998 WeakPolarHBondContact O-CB 3.49Å; H995-I998 VanDerWaalsContact O-CG1 3.32Å; H995-I998 WeakPolarHBondContact O-CG1 3.49Å; H995-I998 PolarHBondContact O-N 3.35Å; K996-I998 PolarHBondContact O-N 3.45Å
999	H	76.9	Confident	75.6	Confident	76 Å²	76	75.5 Å²	75.5	35%	0.352	40%	0.401	S	S	.	.	H	α-helix	trans	-79.6	-35.9	178.7	-54.4	-48.9	0	0	0	112.5	C979 E981 C982 H995 K996 G1001	C979-H999 VanDerWaalsContact SG-CD2 3.56Å; C979-H999 PolarHBondContact SG-NE2 3.2Å; C979-H999 VanDerWaalsContact SG-NE2 3.42Å; E981-H999 HydrophobicContact CG-CB 4.47Å; E981-H999 IonicContact OE2-CD2 3.56Å; E981-H999 PolarHBondContact OE2-CD2 2.75Å; E981-H999 IonicContact OE2-CG 3.35Å; C982-H999 VanDerWaalsContact SG-CE1 3.53Å; C982-H999 PolarHBondContact SG-NE2 3.43Å; H995-H999 AromaticContact CD2-NE2 3.98Å; H995-H999 AromaticContact CE1-CE1 3.95Å; H995-H999 AromaticContact CE1-NE2 3.55Å; H995-H999 AromaticContact NE2-CE1 3.92Å; H995-H999 AromaticContact NE2-NE2 3.16Å; H995-H999 PolarHBondContact NE2-NE2 3.06Å; H995-H999 VanDerWaalsContact NE2-NE2 3.16Å; K996-H999 PolarHBondContact O-N 2.85Å; H999-G1001 VanDerWaalsContact C-N 3.29Å; H999-G1001 PolarHBondContact O-N 3.03Å
1000	T	69.6	Low	75.8	Confident	80 Å²	80	74.3 Å²	74.3	49%	0.491	39%	0.394	S	S	.	.	S	Bend	trans	-79.1	-9.3	175.9	63.9	0	0	0	0	113.9	K996 R997 E1002	K996-T1000 PolarHBondContact O-N 2.83Å; R997-T1000 WeakPolarHBondContact CA-OG1 3.39Å; T1000-E1002 PolarHBondContact O-N 3.47Å; T1000-E1002 WeakPolarHBondContact OG1-CG 3.04Å; T1000-E1002 PolarHBondContact OG1-OE2 3.41Å
1001	G	68.4	Low	75.8	Confident	43 Å²	43	72.3 Å²	72.3	44%	0.443	39%	0.385	S	S	.	.			trans	70.9	0.8	-177	0	0	0	0	0	115.2	R997 H999 K1003	R997-G1001 PolarHBondContact O-N 2.89Å; H999-G1001 VanDerWaalsContact C-N 3.29Å; H999-G1001 PolarHBondContact O-N 3.03Å; G1001-K1003 PolarHBondContact O-N 3.31Å
1002	E	68.8	Low	75.9	Confident	102 Å²	102	74.4 Å²	74.4	48%	0.477	39%	0.393	S	S	.	.			trans	-69.2	85.4	-170.9	-73.2	177	108.4	0	0	114.1	R997 T1000 T1004	R997-E1002 PolarHBondContact O-N 3.12Å; T1000-E1002 PolarHBondContact O-N 3.47Å; T1000-E1002 WeakPolarHBondContact OG1-CG 3.04Å; T1000-E1002 PolarHBondContact OG1-OE2 3.41Å; E1002-T1004 HydrophobicContact CB-CG2 4.47Å; E1002-T1004 PolarHBondContact O-N 3.31Å; E1002-T1004 PolarHBondContact O-OG1 3.08Å; E1002-T1004 VanDerWaalsContact O-OG1 3.13Å
1003	K	73.9	Confident	75.7	Confident	115 Å²	115	75 Å²	75	50%	0.5	40%	0.401	S	S	.	.			trans	-71.9	70.3	169.5	-67.9	168.8	177.2	175	0	111.4	G1001 Y1005 A1013 F1014 F1015	G1001-K1003 PolarHBondContact O-N 3.31Å; K1003-Y1005 PolarHBondContact O-N 2.87Å; K1003-Y1005 VanDerWaalsContact O-N 3.14Å; K1003-A1013 HydrophobicContact CB-CB 3.6Å; K1003-A1013 HydrophobicContact CD-CB 4.27Å; K1003-A1013 WeakPolarHBondContact CD-O 3.48Å; K1003-F1014 CarbonylContact C-O 3.55Å; K1003-F1014 VanDerWaalsContact C-O 3.23Å; K1003-F1014 WeakPolarHBondContact CA-O 3.47Å; K1003-F1015 HydrophobicContact CD-CZ 4.37Å; K1003-F1015 HydrophobicContact CG-CD1 3.96Å; K1003-F1015 HydrophobicContact CG-CD2 4.28Å; K1003-F1015 HydrophobicContact CG-CE1 3.71Å; K1003-F1015 HydrophobicContact CG-CE2 4.04Å; K1003-F1015 HydrophobicContact CG-CG 4.25Å; K1003-F1015 HydrophobicContact CG-CZ 3.76Å
1004	T	67.5	Low	75.8	Confident	73 Å²	73	73.9 Å²	73.9	45%	0.448	39%	0.387	S	S	.	.			trans	-71	-2.3	-169.8	19.2	0	0	0	0	116	R997 E1002 F1014	R997-T1004 PolarHBondContact NH1-OG1 2.88Å; E1002-T1004 HydrophobicContact CB-CG2 4.47Å; E1002-T1004 PolarHBondContact O-N 3.31Å; E1002-T1004 PolarHBondContact O-OG1 3.08Å; E1002-T1004 VanDerWaalsContact O-OG1 3.13Å; T1004-F1014 PolarHBondContact N-O 3.09Å
1005	Y	74.8	Confident	75.7	Confident	82 Å²	82	72.5 Å²	72.5	32%	0.322	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	97.4	-179.1	-58.6	-79.6	0	0	0	110.5	R997 K1003 F1014 A1017	R997-Y1005 PolarHBondContact NH1-OH 3.26Å; K1003-Y1005 PolarHBondContact O-N 2.87Å; K1003-Y1005 VanDerWaalsContact O-N 3.14Å; Y1005-F1014 PolarHBondContact N-O 3.49Å; Y1005-F1014 PolarHBondContact O-N 2.88Å; Y1005-A1017 HydrophobicContact CD1-CB 3.87Å; Y1005-A1017 VanDerWaalsContact CD2-N 3.28Å; Y1005-A1017 HydrophobicContact CE1-CB 3.75Å; Y1005-A1017 HydrophobicContact CE2-CB 4.37Å; Y1005-A1017 HydrophobicContact CG-CB 4.26Å
1006	Q	78	Confident	75.5	Confident	129 Å²	129	75.4 Å²	75.4	60%	0.603	39%	0.39	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92	141	-178.9	-162.8	172.3	16.3	0	0	112	G1011 A1013 L1020	Q1006-G1011 VanDerWaalsContact CG-O 3.27Å; Q1006-G1011 WeakPolarHBondContact CG-O 3.28Å; Q1006-G1011 PolarHBondContact NE2-O 3.1Å; Q1006-A1013 HydrophobicContact CB-CB 4.47Å; Q1006-A1013 HydrophobicContact CG-CB 4.32Å; Q1006-L1020 WeakPolarHBondContact O-CD2 3.31Å
1007	C	80.4	Confident	75.2	Confident	1 Å²	1	74.3 Å²	74.3	1%	0.007	39%	0.394	C	S	.	.			trans	-77.7	122.1	170.7	-167.4	0	0	0	0	109.9	E1009 G1011 K1012 L1020	C1007-E1009 VanDerWaalsContact C-N 3.27Å; C1007-E1009 PolarHBondContact O-N 2.97Å; C1007-G1011 VanDerWaalsContact O-CA 3.3Å; C1007-G1011 WeakPolarHBondContact O-CA 3.24Å; C1007-G1011 PolarHBondContact O-N 3.4Å; C1007-K1012 WeakPolarHBondContact CB-O 3.33Å; C1007-K1012 PolarHBondContact N-O 2.88Å; C1007-L1020 VanDerWaalsContact CA-CD1 3.49Å; C1007-L1020 HydrophobicContact CB-CD1 3.69Å
1008	P	74.6	Confident	75	Confident	107 Å²	107	75 Å²	75	70%	0.695	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.1	-28.5	-178.8	27	-34.1	0	0	0	112.7
1009	E	76.3	Confident	75	Confident	113 Å²	113	71.4 Å²	71.4	53%	0.528	39%	0.394	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.2	-22.2	-173.2	-69.9	155.4	-144.5	0	0	114.1	C1007 H1027	C1007-E1009 VanDerWaalsContact C-N 3.27Å; C1007-E1009 PolarHBondContact O-N 2.97Å; E1009-H1027 WeakPolarHBondContact OE2-CB 3.44Å; E1009-H1027 IonicContact OE2-CD2 3.18Å; E1009-H1027 PolarHBondContact OE2-CD2 3.05Å; E1009-H1027 IonicContact OE2-CG 3.79Å
1010	C	81.3	Confident	75.2	Confident	46 Å²	46	68.8 Å²	68.8	31%	0.311	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	-144.8	11.8	-178.6	73.7	0	0	0	0	115.3	K1012 H1023 H1027	C1010-K1012 PolarHBondContact O-N 3.34Å; C1010-H1023 PolarHBondContact SG-NE2 2.89Å; C1010-H1027 WeakPolarHBondContact CB-NE2 3.47Å; C1010-H1027 PolarHBondContact SG-NE2 3.27Å
1011	G	77.1	Confident	75.4	Confident	34 Å²	34	68.4 Å²	68.4	35%	0.351	38%	0.383	S	S	.	.			trans	67.8	-5.7	176.3	0	0	0	0	0	116.4	Q1006 C1007 A1013	Q1006-G1011 VanDerWaalsContact CG-O 3.27Å; Q1006-G1011 WeakPolarHBondContact CG-O 3.28Å; Q1006-G1011 PolarHBondContact NE2-O 3.1Å; C1007-G1011 VanDerWaalsContact O-CA 3.3Å; C1007-G1011 WeakPolarHBondContact O-CA 3.24Å; C1007-G1011 PolarHBondContact O-N 3.4Å; G1011-A1013 PolarHBondContact O-N 3.2Å
1012	K	80.8	Confident	75.7	Confident	124 Å²	124	73.2 Å²	73.2	54%	0.539	39%	0.388	S	S	.	.			trans	-64.5	126.5	-178.1	-73.2	176.6	-179.6	169.8	0	111.2	C1007 C1010 F1014	C1007-K1012 WeakPolarHBondContact CB-O 3.33Å; C1007-K1012 PolarHBondContact N-O 2.88Å; C1010-K1012 PolarHBondContact O-N 3.34Å; K1012-F1014 HydrophobicContact CB-CE2 3.94Å; K1012-F1014 HydrophobicContact CB-CZ 4.13Å; K1012-F1014 WeakPolarHBondContact O-CD2 3.1Å; K1012-F1014 VanDerWaalsContact O-CE2 3.23Å; K1012-F1014 WeakPolarHBondContact O-CE2 3.39Å
1013	A	78.6	Confident	76.2	Confident	36 Å²	36	69.5 Å²	69.5	30%	0.298	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	139.3	-173.1	0	0	0	0	0	113.1	K1003 Q1006 G1011	K1003-A1013 HydrophobicContact CB-CB 3.6Å; K1003-A1013 HydrophobicContact CD-CB 4.27Å; K1003-A1013 WeakPolarHBondContact CD-O 3.48Å; Q1006-A1013 HydrophobicContact CB-CB 4.47Å; Q1006-A1013 HydrophobicContact CG-CB 4.32Å; G1011-A1013 PolarHBondContact O-N 3.2Å
1014	F	79.4	Confident	76.3	Confident	52 Å²	52	66.9 Å²	66.9	23%	0.228	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	147.2	-172.6	-59.9	-89.2	0	0	0	111.7	K1003 T1004 Y1005 K1012 Y1016 L1020 H1023	K1003-F1014 CarbonylContact C-O 3.55Å; K1003-F1014 VanDerWaalsContact C-O 3.23Å; K1003-F1014 WeakPolarHBondContact CA-O 3.47Å; T1004-F1014 PolarHBondContact N-O 3.09Å; Y1005-F1014 PolarHBondContact N-O 3.49Å; Y1005-F1014 PolarHBondContact O-N 2.88Å; K1012-F1014 HydrophobicContact CB-CE2 3.94Å; K1012-F1014 HydrophobicContact CB-CZ 4.13Å; K1012-F1014 WeakPolarHBondContact O-CD2 3.1Å; K1012-F1014 VanDerWaalsContact O-CE2 3.23Å; K1012-F1014 WeakPolarHBondContact O-CE2 3.39Å; F1014-Y1016 VanDerWaalsContact C-N 3.28Å; F1014-Y1016 PolarHBondContact O-N 3.03Å; F1014-L1020 HydrophobicContact CB-CB 4.46Å; F1014-L1020 HydrophobicContact CD2-CB 4.03Å; F1014-L1020 HydrophobicContact CD2-CD1 4.23Å; F1014-L1020 HydrophobicContact CE2-CD1 4.43Å; F1014-L1020 HydrophobicContact CG-CB 4.44Å; F1014-H1023 HydrophobicContact CE1-CB 4.11Å; F1014-H1023 HydrophobicContact CE2-CB 3.82Å; F1014-H1023 AromaticContact CE2-CD2 3.32Å; F1014-H1023 WeakPolarHBondContact CE2-CD2 3.47Å; F1014-H1023 AromaticContact CE2-CG 3.73Å; F1014-H1023 HydrophobicContact CZ-CB 3.48Å; F1014-H1023 VanDerWaalsContact CZ-CB 3.48Å; F1014-H1023 AromaticContact CZ-CD2 3.35Å; F1014-H1023 WeakPolarHBondContact CZ-CD2 3.36Å; F1014-H1023 AromaticContact CZ-CG 3.36Å
1015	F	72.4	Confident	76.6	Confident	63 Å²	63	64.1 Å²	64.1	28%	0.276	34%	0.344	S	S	.	.	S	Bend	trans	-70.4	-22.6	175.6	-61.1	-78.3	0	0	0	113.5	R997 K1003	R997-F1015 WeakPolarHBondContact O-CD1 3.43Å; R997-F1015 WeakPolarHBondContact O-CE1 3.37Å; K1003-F1015 HydrophobicContact CD-CZ 4.37Å; K1003-F1015 HydrophobicContact CG-CD1 3.96Å; K1003-F1015 HydrophobicContact CG-CD2 4.28Å; K1003-F1015 HydrophobicContact CG-CE1 3.71Å; K1003-F1015 HydrophobicContact CG-CE2 4.04Å; K1003-F1015 HydrophobicContact CG-CG 4.25Å; K1003-F1015 HydrophobicContact CG-CZ 3.76Å
1016	Y	76.6	Confident	76.6	Confident	79 Å²	79	64.3 Å²	64.3	31%	0.31	35%	0.353	S	S	.	.	S	Bend	trans	-133.7	141	-173.6	-44.8	-46.7	0	0	0	111.7	Q994 F1014 S1018 G1019 L1020	Q994-Y1016 HydrophobicContact CG-CD1 3.79Å; Q994-Y1016 HydrophobicContact CG-CE1 3.43Å; Q994-Y1016 VanDerWaalsContact CG-CE1 3.43Å; F1014-Y1016 VanDerWaalsContact C-N 3.28Å; F1014-Y1016 PolarHBondContact O-N 3.03Å; Y1016-S1018 VanDerWaalsContact C-N 3.31Å; Y1016-S1018 PolarHBondContact O-N 3.45Å; Y1016-G1019 WeakPolarHBondContact O-CA 3.39Å; Y1016-G1019 PolarHBondContact O-N 2.77Å; Y1016-L1020 PolarHBondContact O-N 3.1Å
1017	A	72.4	Confident	76.5	Confident	46 Å²	46	62.5 Å²	62.5	38%	0.38	35%	0.345	S	S	.	.	H	α-helix	trans	-57.2	-40.6	177.1	0	0	0	0	0	112.9	Y1005 G1019 L1020 S1021	Y1005-A1017 HydrophobicContact CD1-CB 3.87Å; Y1005-A1017 VanDerWaalsContact CD2-N 3.28Å; Y1005-A1017 HydrophobicContact CE1-CB 3.75Å; Y1005-A1017 HydrophobicContact CE2-CB 4.37Å; Y1005-A1017 HydrophobicContact CG-CB 4.26Å; A1017-G1019 PolarHBondContact O-N 3.32Å; A1017-L1020 WeakPolarHBondContact O-CB 3.45Å; A1017-L1020 PolarHBondContact O-N 2.89Å; A1017-L1020 VanDerWaalsContact O-N 3.09Å; A1017-S1021 PolarHBondContact O-N 3.32Å; A1017-S1021 PolarHBondContact O-OG 3.46Å
1018	S	72	Confident	76	Confident	88 Å²	88	66 Å²	66	62%	0.615	37%	0.366	S	S	*	.	H	α-helix	trans	-66.6	-21.9	174.7	53.4	0	0	0	0	113.7	Y1016 R1022	Y1016-S1018 VanDerWaalsContact C-N 3.31Å; Y1016-S1018 PolarHBondContact O-N 3.45Å; S1018-R1022 WeakPolarHBondContact O-CB 3.4Å; S1018-R1022 PolarHBondContact O-N 3.32Å
1019	G	75	Confident	75.7	Confident	10 Å²	10	62.7 Å²	62.7	10%	0.103	35%	0.352	C	S	.	.	H	α-helix	trans	-70.2	-43.4	169.2	0	0	0	0	0	111.6	Y1016 A1017 H1023	Y1016-G1019 WeakPolarHBondContact O-CA 3.39Å; Y1016-G1019 PolarHBondContact O-N 2.77Å; A1017-G1019 PolarHBondContact O-N 3.32Å; G1019-H1023 WeakPolarHBondContact O-CB 3.3Å; G1019-H1023 PolarHBondContact O-N 2.83Å
1020	L	80.4	Confident	75.3	Confident	22 Å²	22	62.9 Å²	62.9	12%	0.115	35%	0.353	C	S	.	.	H	α-helix	trans	-65	-51.7	174.4	170.3	58.8	0	0	0	112	Q1006 C1007 F1014 Y1016 A1017 R1022 H1023 Q1024	Q1006-L1020 WeakPolarHBondContact O-CD2 3.31Å; C1007-L1020 VanDerWaalsContact CA-CD1 3.49Å; C1007-L1020 HydrophobicContact CB-CD1 3.69Å; F1014-L1020 HydrophobicContact CB-CB 4.46Å; F1014-L1020 HydrophobicContact CD2-CB 4.03Å; F1014-L1020 HydrophobicContact CD2-CD1 4.23Å; F1014-L1020 HydrophobicContact CE2-CD1 4.43Å; F1014-L1020 HydrophobicContact CG-CB 4.44Å; Y1016-L1020 PolarHBondContact O-N 3.1Å; A1017-L1020 WeakPolarHBondContact O-CB 3.45Å; A1017-L1020 PolarHBondContact O-N 2.89Å; A1017-L1020 VanDerWaalsContact O-N 3.09Å; L1020-R1022 VanDerWaalsContact C-N 3.28Å; L1020-R1022 PolarHBondContact O-N 3.12Å; L1020-H1023 CarbonylContact O-C 3.53Å; L1020-H1023 WeakPolarHBondContact O-CA 3.34Å; L1020-H1023 WeakPolarHBondContact O-CB 3.16Å; L1020-H1023 PolarHBondContact O-N 3.21Å; L1020-Q1024 HydrophobicContact CD1-CG 3.95Å; L1020-Q1024 HydrophobicContact CG-CG 4.44Å; L1020-Q1024 PolarHBondContact O-N 2.96Å
1021	S	74.3	Confident	75	Confident	72 Å²	72	66.4 Å²	66.4	50%	0.503	36%	0.363	S	S	.	.	H	α-helix	trans	-60.9	-36.7	-178.8	-52	0	0	0	0	112.8	A1017 H1023 Q1024 S1025	A1017-S1021 PolarHBondContact O-N 3.32Å; A1017-S1021 PolarHBondContact O-OG 3.46Å; S1021-H1023 PolarHBondContact O-N 3.17Å; S1021-Q1024 PolarHBondContact O-N 3.32Å; S1021-S1025 PolarHBondContact O-N 3.4Å
1022	R	74.7	Confident	74.7	Confident	144 Å²	144	69 Å²	69	54%	0.543	37%	0.374	S	S	.	.	H	α-helix	trans	-69.1	-21.3	172.3	-178.3	176.2	65.6	158.9	1	113.5	S1018 L1020 S1025 Q1044	S1018-R1022 WeakPolarHBondContact O-CB 3.4Å; S1018-R1022 PolarHBondContact O-N 3.32Å; L1020-R1022 VanDerWaalsContact C-N 3.28Å; L1020-R1022 PolarHBondContact O-N 3.12Å; R1022-S1025 PolarHBondContact O-OG 2.68Å; R1022-Q1044 VanDerWaalsContact CD-OE1 3.31Å; R1022-Q1044 HydrophobicContact CG-CG 4.17Å; R1022-Q1044 VanDerWaalsContact NH1-OE1 3.12Å
1023	H	80	Confident	74.5	Confident	23 Å²	23	67.5 Å²	67.5	11%	0.106	37%	0.365	C	S	.	.	H	α-helix	trans	-85.8	-34.6	173.9	177.7	46.3	0	0	0	112.2	C1010 F1014 G1019 L1020 S1021 S1025 V1026	C1010-H1023 PolarHBondContact SG-NE2 2.89Å; F1014-H1023 HydrophobicContact CE1-CB 4.11Å; F1014-H1023 HydrophobicContact CE2-CB 3.82Å; F1014-H1023 AromaticContact CE2-CD2 3.32Å; F1014-H1023 WeakPolarHBondContact CE2-CD2 3.47Å; F1014-H1023 AromaticContact CE2-CG 3.73Å; F1014-H1023 HydrophobicContact CZ-CB 3.48Å; F1014-H1023 VanDerWaalsContact CZ-CB 3.48Å; F1014-H1023 AromaticContact CZ-CD2 3.35Å; F1014-H1023 WeakPolarHBondContact CZ-CD2 3.36Å; F1014-H1023 AromaticContact CZ-CG 3.36Å; G1019-H1023 WeakPolarHBondContact O-CB 3.3Å; G1019-H1023 PolarHBondContact O-N 2.83Å; L1020-H1023 CarbonylContact O-C 3.53Å; L1020-H1023 WeakPolarHBondContact O-CA 3.34Å; L1020-H1023 WeakPolarHBondContact O-CB 3.16Å; L1020-H1023 PolarHBondContact O-N 3.21Å; S1021-H1023 PolarHBondContact O-N 3.17Å; H1023-S1025 PolarHBondContact O-N 3.24Å; H1023-V1026 WeakPolarHBondContact O-CA 3.48Å; H1023-V1026 WeakPolarHBondContact O-CB 3.43Å; H1023-V1026 WeakPolarHBondContact O-CG2 3.38Å; H1023-V1026 PolarHBondContact O-N 2.91Å
1024	Q	75	Confident	74.5	Confident	60 Å²	60	71.6 Å²	71.6	28%	0.28	38%	0.378	S	S	.	.	H	α-helix	trans	-59.4	-36.3	174.9	-68.5	174.1	-80.7	0	0	111.7	L1020 S1021 V1026 H1027 T1028	L1020-Q1024 HydrophobicContact CD1-CG 3.95Å; L1020-Q1024 HydrophobicContact CG-CG 4.44Å; L1020-Q1024 PolarHBondContact O-N 2.96Å; S1021-Q1024 PolarHBondContact O-N 3.32Å; Q1024-V1026 PolarHBondContact O-N 3.21Å; Q1024-H1027 PolarHBondContact O-N 3.36Å; Q1024-T1028 PolarHBondContact O-N 3.04Å; Q1024-T1028 VanDerWaalsContact O-N 3.09Å
1025	S	74.6	Confident	74.7	Confident	15 Å²	15	69.1 Å²	69.1	11%	0.105	37%	0.367	C	S	.	.	H	α-helix	trans	-68.1	2.3	171.4	73.8	0	0	0	0	114.9	S1021 R1022 H1023 T1028 K1043	S1021-S1025 PolarHBondContact O-N 3.4Å; R1022-S1025 PolarHBondContact O-OG 2.68Å; H1023-S1025 PolarHBondContact O-N 3.24Å; S1025-T1028 WeakPolarHBondContact CA-OG1 3.35Å; S1025-K1043 WeakPolarHBondContact O-CD 3.48Å; S1025-K1043 WeakPolarHBondContact O-CE 3.45Å; S1025-K1043 PolarHBondContact O-NZ 3.45Å
1026	V	75.4	Confident	75	Confident	86 Å²	86	75.9 Å²	75.9	52%	0.521	40%	0.397	S	S	.	.	H	α-helix	trans	-79.6	-44.1	163.2	-176.9	0	0	0	0	109.9	H1023 Q1024	H1023-V1026 WeakPolarHBondContact O-CA 3.48Å; H1023-V1026 WeakPolarHBondContact O-CB 3.43Å; H1023-V1026 WeakPolarHBondContact O-CG2 3.38Å; H1023-V1026 PolarHBondContact O-N 2.91Å; Q1024-V1026 PolarHBondContact O-N 3.21Å
1027	H	76.3	Confident	75.1	Confident	92 Å²	92	76.7 Å²	76.7	43%	0.426	41%	0.41	S	S	.	.	H	α-helix	trans	-74.2	-47.6	-179.5	-57.2	-59.8	0	0	0	112.6	E1009 C1010 Q1024 G1029	E1009-H1027 WeakPolarHBondContact OE2-CB 3.44Å; E1009-H1027 IonicContact OE2-CD2 3.18Å; E1009-H1027 PolarHBondContact OE2-CD2 3.05Å; E1009-H1027 IonicContact OE2-CG 3.79Å; C1010-H1027 WeakPolarHBondContact CB-NE2 3.47Å; C1010-H1027 PolarHBondContact SG-NE2 3.27Å; Q1024-H1027 PolarHBondContact O-N 3.36Å; H1027-G1029 PolarHBondContact O-N 3.11Å; H1027-G1029 VanDerWaalsContact O-N 3.1Å
1028	T	69.8	Low	75.6	Confident	73 Å²	73	77 Å²	77	45%	0.448	41%	0.408	S	S	.	.	S	Bend	trans	-69.8	-7	179.3	65.1	0	0	0	0	113.7	Q1024 S1025 E1030	Q1024-T1028 PolarHBondContact O-N 3.04Å; Q1024-T1028 VanDerWaalsContact O-N 3.09Å; S1025-T1028 WeakPolarHBondContact CA-OG1 3.35Å; T1028-E1030 VanDerWaalsContact CB-OE2 3.27Å; T1028-E1030 WeakPolarHBondContact CB-OE2 3.3Å; T1028-E1030 PolarHBondContact O-N 2.98Å; T1028-E1030 WeakPolarHBondContact OG1-CG 3.28Å; T1028-E1030 PolarHBondContact OG1-OE2 3.22Å
1029	G	67.4	Low	76	Confident	39 Å²	39	74.9 Å²	74.9	40%	0.402	40%	0.401	S	S	.	.			trans	73.9	-22.2	-176.5	0	0	0	0	0	115	H1027 K1043	H1027-G1029 PolarHBondContact O-N 3.11Å; H1027-G1029 VanDerWaalsContact O-N 3.1Å; G1029-K1043 WeakPolarHBondContact O-CE 3.32Å; G1029-K1043 PolarHBondContact O-NZ 3.39Å
1030	E	68.6	Low	76.3	Confident	116 Å²	116	80.5 Å²	80.5	54%	0.542	42%	0.422	S	S	.	.			trans	-51.4	142	-166.1	-66.7	169.4	120.5	0	0	115.2	T1028 K1043	T1028-E1030 VanDerWaalsContact CB-OE2 3.27Å; T1028-E1030 WeakPolarHBondContact CB-OE2 3.3Å; T1028-E1030 PolarHBondContact O-N 2.98Å; T1028-E1030 WeakPolarHBondContact OG1-CG 3.28Å; T1028-E1030 PolarHBondContact OG1-OE2 3.22Å; E1030-K1043 WeakPolarHBondContact O-CG 3.49Å
1031	K	74.5	Confident	76.2	Confident	121 Å²	121	81.2 Å²	81.2	53%	0.526	43%	0.431	S	S	.	.			trans	-127.3	64	177.7	-65.9	171.1	174.6	-177.9	0	110.6	Y1033 A1041 F1042 K1043	K1031-Y1033 PolarHBondContact O-N 2.92Å; K1031-A1041 HydrophobicContact CB-CB 3.66Å; K1031-A1041 HydrophobicContact CD-CB 4.08Å; K1031-F1042 CarbonylContact C-O 3.24Å; K1031-F1042 VanDerWaalsContact CA-O 3.28Å; K1031-F1042 WeakPolarHBondContact CA-O 3.49Å; K1031-K1043 HydrophobicContact CG-CG 3.87Å
1032	P	71.1	Confident	76.5	Confident	89 Å²	89	79.9 Å²	79.9	58%	0.578	42%	0.416	S	S	*	.			trans	-72.8	11.2	-167.1	31.4	-37.2	0	0	0	115.3
1033	Y	76	Confident	76.4	Confident	92 Å²	92	75.9 Å²	75.9	36%	0.361	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	89.8	-179.7	-58.4	-74.5	0	0	0	110.1	K1031 F1042 L1045	K1031-Y1033 PolarHBondContact O-N 2.92Å; Y1033-F1042 PolarHBondContact N-O 3.07Å; Y1033-F1042 PolarHBondContact O-N 3.23Å; Y1033-L1045 HydrophobicContact CD1-CB 3.78Å; Y1033-L1045 HydrophobicContact CD1-CD1 3.85Å; Y1033-L1045 HydrophobicContact CD1-CG 4.35Å; Y1033-L1045 HydrophobicContact CE1-CB 3.7Å; Y1033-L1045 HydrophobicContact CE1-CD1 4.26Å; Y1033-L1045 HydrophobicContact CE1-CG 4.39Å; Y1033-L1045 HydrophobicContact CG-CB 4.22Å
1034	E	79.4	Confident	76.1	Confident	121 Å²	121	77.2 Å²	77.2	57%	0.565	41%	0.409	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.4	138.3	-177.8	-161.2	-175.8	147.6	0	0	113.2	K1036 A1041	E1034-K1036 PolarHBondContact O-N 3.49Å; E1034-A1041 HydrophobicContact CG-CB 4.41Å
1035	C	82.6	Confident	76.1	Confident	0 Å²	0	78.8 Å²	78.8	0%	0	42%	0.419	C	S	.	.			trans	-82.3	102.7	173.5	-168.2	0	0	0	0	111.1	T1037 C1038 G1039 K1040 F1042 L1048	C1035-T1037 PolarHBondContact O-N 3.25Å; C1035-C1038 PolarHBondContact O-N 2.8Å; C1035-C1038 VanDerWaalsContact SG-SG 3.63Å; C1035-G1039 PolarHBondContact O-N 2.57Å; C1035-K1040 HydrophobicContact CB-CB 4.48Å; C1035-K1040 WeakPolarHBondContact CB-O 3.49Å; C1035-K1040 PolarHBondContact N-O 3.33Å; C1035-F1042 HydrophobicContact CB-CE2 4.31Å; C1035-L1048 VanDerWaalsContact CA-CD1 3.48Å; C1035-L1048 HydrophobicContact CB-CD1 3.54Å
1036	K	78.7	Confident	76.2	Confident	206 Å²	206	82.6 Å²	82.6	90%	0.896	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.2	-24.6	178.6	-64.3	-169	174.2	-167.7	0	114.6	E1034	E1034-K1036 PolarHBondContact O-N 3.49Å
1037	T	78.1	Confident	76.5	Confident	96 Å²	96	81.5 Å²	81.5	59%	0.589	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.1	-20.7	179.4	-32.2	0	0	0	0	113.5	C1035 H1055	C1035-T1037 PolarHBondContact O-N 3.25Å; T1037-H1055 HydrophobicContact CG2-CB 4.5Å
1038	C	83.8	Confident	76.7	Confident	52 Å²	52	77.7 Å²	77.7	35%	0.351	41%	0.414	S	S	.	.	T	Hydrogen-bonded Turn	trans	-155.6	12.5	-170.6	68.3	0	0	0	0	116.3	C1035 K1040 H1051	C1035-C1038 PolarHBondContact O-N 2.8Å; C1035-C1038 VanDerWaalsContact SG-SG 3.63Å; C1038-K1040 PolarHBondContact O-N 3.31Å; C1038-H1051 PolarHBondContact SG-NE2 2.99Å
1039	G	79.9	Confident	77.1	Confident	44 Å²	44	77 Å²	77	45%	0.454	41%	0.41	S	S	.	.			trans	66.5	-1.8	179.9	0	0	0	0	0	116.1	C1035 A1041	C1035-G1039 PolarHBondContact O-N 2.57Å; G1039-A1041 PolarHBondContact O-N 3.44Å; G1039-A1041 VanDerWaalsContact O-N 3.14Å
1040	K	82.4	Confident	77.7	Confident	127 Å²	127	83.7 Å²	83.7	55%	0.552	42%	0.423	S	S	*	.			trans	-71.4	113.8	-175.7	-71.2	-179.6	179.8	174.2	0	110.8	C1035 C1038 F1042	C1035-K1040 HydrophobicContact CB-CB 4.48Å; C1035-K1040 WeakPolarHBondContact CB-O 3.49Å; C1035-K1040 PolarHBondContact N-O 3.33Å; C1038-K1040 PolarHBondContact O-N 3.31Å; K1040-F1042 HydrophobicContact CB-CE2 3.85Å; K1040-F1042 HydrophobicContact CB-CZ 4.05Å; K1040-F1042 WeakPolarHBondContact O-CD2 3.39Å; K1040-F1042 WeakPolarHBondContact O-CE2 3.47Å
1041	A	78.6	Confident	78.3	Confident	37 Å²	37	79.5 Å²	79.5	31%	0.306	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	137.1	179.6	0	0	0	0	0	113	K1031 E1034 G1039	K1031-A1041 HydrophobicContact CB-CB 3.66Å; K1031-A1041 HydrophobicContact CD-CB 4.08Å; E1034-A1041 HydrophobicContact CG-CB 4.41Å; G1039-A1041 PolarHBondContact O-N 3.44Å; G1039-A1041 VanDerWaalsContact O-N 3.14Å
1042	F	80.3	Confident	78.5	Confident	44 Å²	44	76.9 Å²	76.9	19%	0.193	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	152	-176	-63	-86.4	0	0	0	112.8	K1031 Y1033 C1035 K1040 Q1044 Q1047 L1048 H1051	K1031-F1042 CarbonylContact C-O 3.24Å; K1031-F1042 VanDerWaalsContact CA-O 3.28Å; K1031-F1042 WeakPolarHBondContact CA-O 3.49Å; Y1033-F1042 PolarHBondContact N-O 3.07Å; Y1033-F1042 PolarHBondContact O-N 3.23Å; C1035-F1042 HydrophobicContact CB-CE2 4.31Å; K1040-F1042 HydrophobicContact CB-CE2 3.85Å; K1040-F1042 HydrophobicContact CB-CZ 4.05Å; K1040-F1042 WeakPolarHBondContact O-CD2 3.39Å; K1040-F1042 WeakPolarHBondContact O-CE2 3.47Å; F1042-Q1044 VanDerWaalsContact C-N 3.33Å; F1042-Q1047 HydrophobicContact CB-CB 4.09Å; F1042-Q1047 HydrophobicContact CD1-CB 3.8Å; F1042-Q1047 HydrophobicContact CG-CB 4.17Å; F1042-L1048 HydrophobicContact CB-CB 4.35Å; F1042-L1048 HydrophobicContact CD2-CB 3.98Å; F1042-L1048 HydrophobicContact CD2-CD1 4.04Å; F1042-L1048 HydrophobicContact CE2-CD1 4.27Å; F1042-L1048 HydrophobicContact CG-CB 4.37Å; F1042-H1051 HydrophobicContact CE1-CB 4.22Å; F1042-H1051 HydrophobicContact CE2-CB 3.87Å; F1042-H1051 AromaticContact CE2-CD2 3.45Å; F1042-H1051 VanDerWaalsContact CE2-CD2 3.45Å; F1042-H1051 WeakPolarHBondContact CE2-CD2 3.43Å; F1042-H1051 AromaticContact CE2-CG 3.82Å; F1042-H1051 HydrophobicContact CZ-CB 3.54Å; F1042-H1051 AromaticContact CZ-CD2 3.47Å; F1042-H1051 VanDerWaalsContact CZ-CD2 3.47Å; F1042-H1051 WeakPolarHBondContact CZ-CD2 3.48Å; F1042-H1051 AromaticContact CZ-CG 3.44Å; F1042-H1051 VanDerWaalsContact CZ-CG 3.44Å
1043	K	72.5	Confident	78.9	Confident	60 Å²	60	80.3 Å²	80.3	26%	0.261	39%	0.394	S	S	.	.	S	Bend	trans	-80.8	-10.8	177.2	-61.8	-155.8	167.6	-157.2	0	113.8	S1025 G1029 E1030 K1031	S1025-K1043 WeakPolarHBondContact O-CD 3.48Å; S1025-K1043 WeakPolarHBondContact O-CE 3.45Å; S1025-K1043 PolarHBondContact O-NZ 3.45Å; G1029-K1043 WeakPolarHBondContact O-CE 3.32Å; G1029-K1043 PolarHBondContact O-NZ 3.39Å; E1030-K1043 WeakPolarHBondContact O-CG 3.49Å; K1031-K1043 HydrophobicContact CG-CG 3.87Å
1044	Q	73.5	Confident	79.1	Confident	51 Å²	51	80.8 Å²	80.8	24%	0.238	40%	0.402	C	S	.	.	S	Bend	trans	-142.6	135.9	-178.3	-60.7	178.8	59.2	0	0	110.7	R1022 F1042 T1046 Q1047 L1048	R1022-Q1044 VanDerWaalsContact CD-OE1 3.31Å; R1022-Q1044 HydrophobicContact CG-CG 4.17Å; R1022-Q1044 VanDerWaalsContact NH1-OE1 3.12Å; F1042-Q1044 VanDerWaalsContact C-N 3.33Å; Q1044-T1046 PolarHBondContact O-N 2.87Å; Q1044-Q1047 HydrophobicContact CB-CB 4.4Å; Q1044-Q1047 HydrophobicContact CB-CG 4.06Å; Q1044-Q1047 WeakPolarHBondContact O-CB 3.34Å; Q1044-Q1047 PolarHBondContact O-N 3.37Å; Q1044-L1048 PolarHBondContact O-N 3.01Å; Q1044-L1048 VanDerWaalsContact O-N 3.16Å
1045	L	74.9	Confident	78.9	Confident	93 Å²	93	77.8 Å²	77.8	49%	0.487	39%	0.388	S	S	.	.	H	α-helix	trans	-54.3	-37	175	-177.3	58.5	0	0	0	112.3	Y1033 Q1047 L1048 T1049	Y1033-L1045 HydrophobicContact CD1-CB 3.78Å; Y1033-L1045 HydrophobicContact CD1-CD1 3.85Å; Y1033-L1045 HydrophobicContact CD1-CG 4.35Å; Y1033-L1045 HydrophobicContact CE1-CB 3.7Å; Y1033-L1045 HydrophobicContact CE1-CD1 4.26Å; Y1033-L1045 HydrophobicContact CE1-CG 4.39Å; Y1033-L1045 HydrophobicContact CG-CB 4.22Å; L1045-Q1047 VanDerWaalsContact C-N 3.3Å; L1045-Q1047 PolarHBondContact O-N 3.35Å; L1045-L1048 HydrophobicContact CD1-CD2 4.23Å; L1045-L1048 CarbonylContact O-C 3.49Å; L1045-L1048 WeakPolarHBondContact O-CB 3.23Å; L1045-L1048 PolarHBondContact O-N 2.93Å; L1045-T1049 PolarHBondContact O-N 3.11Å; L1045-T1049 PolarHBondContact O-OG1 3.44Å
1046	T	77.1	Confident	78.1	Confident	95 Å²	95	83.4 Å²	83.4	58%	0.583	42%	0.418	S	S	*	.	H	α-helix	trans	-65.8	-29	176.8	49.8	0	0	0	0	113.8	Q1044 R1050	Q1044-T1046 PolarHBondContact O-N 2.87Å; T1046-R1050 VanDerWaalsContact O-CB 3.32Å; T1046-R1050 WeakPolarHBondContact O-CB 3.42Å; T1046-R1050 PolarHBondContact O-N 2.98Å; T1046-R1050 VanDerWaalsContact O-N 3.08Å
1047	Q	80.3	Confident	77.1	Confident	64 Å²	64	80.8 Å²	80.8	30%	0.299	41%	0.413	S	S	.	.	H	α-helix	trans	-73.5	-41.5	172.7	-68.3	173.5	-29.6	0	0	110.3	F1042 Q1044 L1045 R1050 H1051	F1042-Q1047 HydrophobicContact CB-CB 4.09Å; F1042-Q1047 HydrophobicContact CD1-CB 3.8Å; F1042-Q1047 HydrophobicContact CG-CB 4.17Å; Q1044-Q1047 HydrophobicContact CB-CB 4.4Å; Q1044-Q1047 HydrophobicContact CB-CG 4.06Å; Q1044-Q1047 WeakPolarHBondContact O-CB 3.34Å; Q1044-Q1047 PolarHBondContact O-N 3.37Å; L1045-Q1047 VanDerWaalsContact C-N 3.3Å; L1045-Q1047 PolarHBondContact O-N 3.35Å; Q1047-R1050 PolarHBondContact O-N 2.83Å; Q1047-H1051 WeakPolarHBondContact O-CB 3.34Å; Q1047-H1051 PolarHBondContact O-N 3.31Å
1048	L	81.8	Confident	76	Confident	12 Å²	12	84.1 Å²	84.1	6%	0.063	43%	0.433	C	S	.	.	H	α-helix	trans	-60	-51.7	171.9	171.8	59.5	0	0	0	111.4	C1035 F1042 Q1044 L1045 R1050 H1051 Q1052	C1035-L1048 VanDerWaalsContact CA-CD1 3.48Å; C1035-L1048 HydrophobicContact CB-CD1 3.54Å; F1042-L1048 HydrophobicContact CB-CB 4.35Å; F1042-L1048 HydrophobicContact CD2-CB 3.98Å; F1042-L1048 HydrophobicContact CD2-CD1 4.04Å; F1042-L1048 HydrophobicContact CE2-CD1 4.27Å; F1042-L1048 HydrophobicContact CG-CB 4.37Å; Q1044-L1048 PolarHBondContact O-N 3.01Å; Q1044-L1048 VanDerWaalsContact O-N 3.16Å; L1045-L1048 HydrophobicContact CD1-CD2 4.23Å; L1045-L1048 CarbonylContact O-C 3.49Å; L1045-L1048 WeakPolarHBondContact O-CB 3.23Å; L1045-L1048 PolarHBondContact O-N 2.93Å; L1048-R1050 VanDerWaalsContact C-N 3.29Å; L1048-R1050 PolarHBondContact O-N 3.37Å; L1048-H1051 CarbonylContact O-C 3.52Å; L1048-H1051 WeakPolarHBondContact O-CA 3.32Å; L1048-H1051 WeakPolarHBondContact O-CB 3.44Å; L1048-H1051 PolarHBondContact O-N 3.43Å; L1048-Q1052 HydrophobicContact CD1-CG 3.85Å; L1048-Q1052 HydrophobicContact CG-CG 4.32Å; L1048-Q1052 WeakPolarHBondContact O-CG 3.05Å; L1048-Q1052 PolarHBondContact O-N 3.19Å
1049	T	77.8	Confident	75.6	Confident	58 Å²	58	85.8 Å²	85.8	36%	0.356	44%	0.437	S	S	.	.	H	α-helix	trans	-61.1	-36.3	179	-50	0	0	0	0	112.4	L1045 H1051 R1053	L1045-T1049 PolarHBondContact O-N 3.11Å; L1045-T1049 PolarHBondContact O-OG1 3.44Å; T1049-H1051 VanDerWaalsContact C-N 3.34Å; T1049-R1053 WeakPolarHBondContact O-CG 3.41Å; T1049-R1053 PolarHBondContact O-N 3.42Å
1050	R	80.1	Confident	75.4	Confident	180 Å²	180	87.9 Å²	87.9	68%	0.679	44%	0.437	S	S	*	.	H	α-helix	trans	-69.2	-31.9	173.2	-172.7	179.9	67.5	173.9	4	112.3	T1046 Q1047 L1048	T1046-R1050 VanDerWaalsContact O-CB 3.32Å; T1046-R1050 WeakPolarHBondContact O-CB 3.42Å; T1046-R1050 PolarHBondContact O-N 2.98Å; T1046-R1050 VanDerWaalsContact O-N 3.08Å; Q1047-R1050 PolarHBondContact O-N 2.83Å; L1048-R1050 VanDerWaalsContact C-N 3.29Å; L1048-R1050 PolarHBondContact O-N 3.37Å
1051	H	80.8	Confident	75	Confident	28 Å²	28	85.8 Å²	85.8	13%	0.13	43%	0.43	C	S	.	.	H	α-helix	trans	-75.4	-38.9	175	179.3	50.9	0	0	0	112.4	C1038 F1042 Q1047 L1048 T1049 R1053 I1054 H1055	C1038-H1051 PolarHBondContact SG-NE2 2.99Å; F1042-H1051 HydrophobicContact CE1-CB 4.22Å; F1042-H1051 HydrophobicContact CE2-CB 3.87Å; F1042-H1051 AromaticContact CE2-CD2 3.45Å; F1042-H1051 VanDerWaalsContact CE2-CD2 3.45Å; F1042-H1051 WeakPolarHBondContact CE2-CD2 3.43Å; F1042-H1051 AromaticContact CE2-CG 3.82Å; F1042-H1051 HydrophobicContact CZ-CB 3.54Å; F1042-H1051 AromaticContact CZ-CD2 3.47Å; F1042-H1051 VanDerWaalsContact CZ-CD2 3.47Å; F1042-H1051 WeakPolarHBondContact CZ-CD2 3.48Å; F1042-H1051 AromaticContact CZ-CG 3.44Å; F1042-H1051 VanDerWaalsContact CZ-CG 3.44Å; Q1047-H1051 WeakPolarHBondContact O-CB 3.34Å; Q1047-H1051 PolarHBondContact O-N 3.31Å; L1048-H1051 CarbonylContact O-C 3.52Å; L1048-H1051 WeakPolarHBondContact O-CA 3.32Å; L1048-H1051 WeakPolarHBondContact O-CB 3.44Å; L1048-H1051 PolarHBondContact O-N 3.43Å; T1049-H1051 VanDerWaalsContact C-N 3.34Å; H1051-R1053 VanDerWaalsContact C-N 3.26Å; H1051-R1053 PolarHBondContact O-N 2.79Å; H1051-I1054 VanDerWaalsContact O-CB 3.3Å; H1051-I1054 WeakPolarHBondContact O-CB 3.46Å; H1051-I1054 PolarHBondContact O-N 3.06Å; H1051-H1055 AromaticContact CD2-NE2 3.73Å; H1051-H1055 AromaticContact CE1-NE2 3.31Å; H1051-H1055 PolarHBondContact CE1-NE2 3.15Å; H1051-H1055 VanDerWaalsContact CE1-NE2 3.31Å; H1051-H1055 AromaticContact NE2-CD2 3.98Å; H1051-H1055 AromaticContact NE2-CE1 3.98Å; H1051-H1055 AromaticContact NE2-NE2 3.03Å; H1051-H1055 PolarHBondContact NE2-NE2 3.27Å; H1051-H1055 PolarHBondContact O-CD2 3.5Å; H1051-H1055 VanDerWaalsContact O-CD2 3.29Å
1052	Q	78.8	Confident	74.8	Confident	65 Å²	65	88.6 Å²	88.6	30%	0.304	44%	0.437	S	S	.	.	H	α-helix	trans	-56.5	-42.4	173.7	-73.4	173.1	-56.3	0	0	110.9	L1048 I1054 H1055 D1056	L1048-Q1052 HydrophobicContact CD1-CG 3.85Å; L1048-Q1052 HydrophobicContact CG-CG 4.32Å; L1048-Q1052 WeakPolarHBondContact O-CG 3.05Å; L1048-Q1052 PolarHBondContact O-N 3.19Å; Q1052-I1054 PolarHBondContact O-N 2.89Å; Q1052-H1055 CarbonylContact O-C 3.12Å; Q1052-H1055 WeakPolarHBondContact O-CA 3.45Å; Q1052-H1055 WeakPolarHBondContact O-CB 3.46Å; Q1052-H1055 PolarHBondContact O-N 2.9Å; Q1052-D1056 PolarHBondContact O-N 3.17Å
1053	R	79.9	Confident	74.4	Confident	162 Å²	162	91.4 Å²	91.4	61%	0.611	45%	0.453	S	S	*	.	H	α-helix	trans	-58.7	-11.4	171.8	-72.8	178.1	-177.2	-164.4	-1.2	116.7	T1049 H1051 D1056 L1057	T1049-R1053 WeakPolarHBondContact O-CG 3.41Å; T1049-R1053 PolarHBondContact O-N 3.42Å; H1051-R1053 VanDerWaalsContact C-N 3.26Å; H1051-R1053 PolarHBondContact O-N 2.79Å; R1053-D1056 VanDerWaalsContact CA-OD2 3.26Å; R1053-D1056 WeakPolarHBondContact CA-OD2 3.5Å; R1053-D1056 PolarHBondContact N-OD2 3.34Å; R1053-L1057 WeakPolarHBondContact O-CD1 3.21Å; R1053-L1057 WeakPolarHBondContact O-CG 3.28Å
1054	I	79.5	Confident	74.6	Confident	101 Å²	101	93.5 Å²	93.5	52%	0.518	47%	0.465	S	S	.	.	H	α-helix	trans	-82.4	-37.3	171.5	-54.3	177.4	0	0	0	109.6	H1051 Q1052 D1056 L1057 T1058	H1051-I1054 VanDerWaalsContact O-CB 3.3Å; H1051-I1054 WeakPolarHBondContact O-CB 3.46Å; H1051-I1054 PolarHBondContact O-N 3.06Å; Q1052-I1054 PolarHBondContact O-N 2.89Å; I1054-D1056 VanDerWaalsContact C-N 3.3Å; I1054-L1057 PolarHBondContact O-N 2.93Å; I1054-T1058 PolarHBondContact O-OG1 2.79Å
1055	H	76.6	Confident	74.6	Confident	58 Å²	58	96.6 Å²	96.6	27%	0.269	48%	0.482	S	S	.	.	H	α-helix	trans	-73.5	-21.6	170.1	-51.2	-96.7	0	0	0	112.3	T1037 H1051 Q1052 L1057	T1037-H1055 HydrophobicContact CG2-CB 4.5Å; H1051-H1055 AromaticContact CD2-NE2 3.73Å; H1051-H1055 AromaticContact CE1-NE2 3.31Å; H1051-H1055 PolarHBondContact CE1-NE2 3.15Å; H1051-H1055 VanDerWaalsContact CE1-NE2 3.31Å; H1051-H1055 AromaticContact NE2-CD2 3.98Å; H1051-H1055 AromaticContact NE2-CE1 3.98Å; H1051-H1055 AromaticContact NE2-NE2 3.03Å; H1051-H1055 PolarHBondContact NE2-NE2 3.27Å; H1051-H1055 PolarHBondContact O-CD2 3.5Å; H1051-H1055 VanDerWaalsContact O-CD2 3.29Å; Q1052-H1055 CarbonylContact O-C 3.12Å; Q1052-H1055 WeakPolarHBondContact O-CA 3.45Å; Q1052-H1055 WeakPolarHBondContact O-CB 3.46Å; Q1052-H1055 PolarHBondContact O-N 2.9Å; H1055-L1057 PolarHBondContact O-N 2.98Å
1056	D	65.9	Low	74.6	Confident	119 Å²	119	96.8 Å²	96.8	64%	0.636	48%	0.481	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.8	3.2	170.6	-50.7	-39.5	0	0	0	112.9	Q1052 R1053 I1054	Q1052-D1056 PolarHBondContact O-N 3.17Å; R1053-D1056 VanDerWaalsContact CA-OD2 3.26Å; R1053-D1056 WeakPolarHBondContact CA-OD2 3.5Å; R1053-D1056 PolarHBondContact N-OD2 3.34Å; I1054-D1056 VanDerWaalsContact C-N 3.3Å
1057	L	57.8	Low	74.4	Confident	150 Å²	150	97 Å²	97	79%	0.785	47%	0.473	S	S	*	.	T	Hydrogen-bonded Turn	trans	-131.3	12.8	-175.9	-77	175	0	0	0	113.5	R1053 I1054 H1055	R1053-L1057 WeakPolarHBondContact O-CD1 3.21Å; R1053-L1057 WeakPolarHBondContact O-CG 3.28Å; I1054-L1057 PolarHBondContact O-N 2.93Å; H1055-L1057 PolarHBondContact O-N 2.98Å
1058	T	53.8	Low	73.9	Confident	167 Å²	167	100 Å²	100	100%	1.025	49%	0.489	S	S	*	.			trans	-139.6	0	177.3	57.4	0	0	0	0	110.3	I1054	I1054-T1058 PolarHBondContact O-OG1 2.79Å

Retrieved 1,058 of 1,058 residues in 1401.6 ms (Link to these results)

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