A0A093HJ51_STRCA Loading...

phosphatidate phosphatase

AlphaFold DB , UniProt , Accession A0A093HJ51, Species STRCA (Struthio camelus australis), Gene n/a, Length 902 aa.

						>A0A093HJ51_STRCA|A0A093HJ51
MNYVGQLAGQVFVTVKELYKGLNPATLSGCIDIIVVRQPDGNLQCSPFHVRFGKMGVLRSREKVVDIEINGEAVDLHMKLGDNGEAFFVQEMDNDQEVIPYHLSTSPILSEGTALMETQLKRNSIDRLRNLDSNVPSQVPPQTHGSQPAIETSMACNSVKKRRKKRRKSTHKMDSLKREDNGDTSEDEDMFPIEISSEEEKEPLDNSRIPVPEVCIDEVSEIKTPAVATFSQSASYPHSDGEWSPPQSPSGSRPPTPKSDSELVSKPTDRGGLKNNPQMHWAWGELPQAAKATSLLKAKEPSVVDVNPSESTHFRVIQSAAIEEFNNVSPLPALGQADAATADETEPLPAETNKPETESPGAAVPPLPASEEIKQAAACSAQLVGKTDSPSRRKDKRSRHLGADGVYLDDLTDMDPEVAALYFPKNGDNVQSKNTNDNGPRSASQSPQSFGSSGVDSGVESVSDGIRDLPSIAVSLCGGLTDNKEITKEDFLEHAVTYQQFVDNPAIIDDPNLVVKIGNKYYNWTTAGPLLLAMQAFQKPLPKATVESIMRDKMPKKGGRWWFSWRGRNSTIKEETKPEQDISGSGLTGEDSSQMMANRIKDESSSSDEDPRAAKQNAGSLQTNSSHLSLLSGVSYKKTLRLTSDQLKSLKLKNGPNDVTFSVTTQYQGTCRCEGTIYLWNWDDKVVISDIDGTITRSDTLGHILPTLGKDWTHQGIAKLYHKVSQNGYKFLYCSARAIGMADMTRGYLHWVNERGTVLPQGPVLLSPSSLFSAFHREVIEKKPEKFKVQCLTDIKNLFYPNTEPFYAAFGNRPADVYSYKQVGVSLNRIFTVNPKGELIQEHAKTNISSYVRLCEVVDHIFPLLKRSHSSDFPCSDTFSQFTYWREPLPPFETQDVHSASS
					

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	41.7	Very low	37.7	Very low	219 Å²	219	113.5 Å²	113.5	100%	1.079	62%	0.619	S	S	*	*				0	-10.1	0	-85.7	165	158	0	0	114.4	Y3 V4	M1-Y3 VanDerWaalsContact C-N 3.31Å; M1-Y3 PolarHBondContact O-N 3.02Å; M1-Y3 VanDerWaalsContact O-N 3.11Å; M1-V4 PolarHBondContact O-N 3.4Å
2	N	42.5	Very low	37.6	Very low	143 Å²	143	117.3 Å²	117.3	77%	0.765	63%	0.626	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.2	-17.2	-163.7	-58.1	18.2	0	0	0	116.4	V4 G5	N2-V4 PolarHBondContact O-N 3.09Å; N2-G5 PolarHBondContact O-N 3.24Å; N2-G5 VanDerWaalsContact O-N 3.15Å
3	Y	32.2	Very low	37.6	Very low	191 Å²	191	114.7 Å²	114.7	75%	0.749	62%	0.616	S	S	*	*	H	α-helix	trans	-57.7	-31.4	178.5	-99.7	-88.7	0	0	0	114	M1 L7	M1-Y3 VanDerWaalsContact C-N 3.31Å; M1-Y3 PolarHBondContact O-N 3.02Å; M1-Y3 VanDerWaalsContact O-N 3.11Å; Y3-L7 PolarHBondContact O-N 3.41Å
4	V	39.2	Very low	38	Very low	112 Å²	112	108.1 Å²	108.1	68%	0.679	58%	0.582	S	S	*	*	H	α-helix	trans	-69.6	-35.8	180	-174.2	0	0	0	0	111.3	M1 N2 A8	M1-V4 PolarHBondContact O-N 3.4Å; N2-V4 PolarHBondContact O-N 3.09Å; V4-A8 VanDerWaalsContact O-CB 3.28Å; V4-A8 WeakPolarHBondContact O-CB 3.31Å; V4-A8 PolarHBondContact O-N 3.4Å
5	G	34.4	Very low	38.1	Very low	53 Å²	53	104.2 Å²	104.2	55%	0.546	56%	0.563	S	S	.	*	H	α-helix	trans	-68.9	-39.3	180	0	0	0	0	0	113.2	N2 A8 G9	N2-G5 PolarHBondContact O-N 3.24Å; N2-G5 VanDerWaalsContact O-N 3.15Å; G5-A8 PolarHBondContact O-N 2.89Å; G5-G9 PolarHBondContact O-N 3.13Å
6	Q	36.9	Very low	38.1	Very low	144 Å²	144	107 Å²	107	67%	0.673	57%	0.569	S	S	*	*	H	α-helix	trans	-67.7	-44.4	174.6	-93.8	176.7	-35.6	0	0	112.1	A8 G9 Q10	Q6-A8 PolarHBondContact O-N 3.39Å; Q6-G9 PolarHBondContact O-N 3.11Å; Q6-Q10 WeakPolarHBondContact O-CB 3.46Å; Q6-Q10 PolarHBondContact O-N 3.14Å
7	L	36.8	Very low	38.4	Very low	108 Å²	108	107.2 Å²	107.2	57%	0.565	57%	0.566	S	S	*	*	H	α-helix	trans	-59.1	-46.7	172.8	-101.3	81.9	0	0	0	111.6	Y3 G9 Q10 V11	Y3-L7 PolarHBondContact O-N 3.41Å; L7-G9 PolarHBondContact O-N 2.91Å; L7-Q10 PolarHBondContact O-N 3.42Å; L7-V11 WeakPolarHBondContact O-CB 3.41Å; L7-V11 VanDerWaalsContact O-CG2 3.26Å; L7-V11 WeakPolarHBondContact O-CG2 3.49Å; L7-V11 PolarHBondContact O-N 3.02Å
8	A	38.2	Very low	38.8	Very low	45 Å²	45	102.3 Å²	102.3	37%	0.372	54%	0.54	S	S	.	.	H	α-helix	trans	-60.7	-44.6	179.7	0	0	0	0	0	112.1	V4 G5 Q6 V11 F12	V4-A8 VanDerWaalsContact O-CB 3.28Å; V4-A8 WeakPolarHBondContact O-CB 3.31Å; V4-A8 PolarHBondContact O-N 3.4Å; G5-A8 PolarHBondContact O-N 2.89Å; Q6-A8 PolarHBondContact O-N 3.39Å; A8-V11 PolarHBondContact O-N 3.41Å; A8-F12 WeakPolarHBondContact O-CB 3.43Å; A8-F12 WeakPolarHBondContact O-CD2 3.21Å; A8-F12 PolarHBondContact O-N 3.49Å
9	G	34	Very low	38.8	Very low	37 Å²	37	106.2 Å²	106.2	38%	0.381	55%	0.547	S	S	.	.	H	α-helix	trans	-61.2	-45.1	176	0	0	0	0	0	112.8	G5 Q6 L7 F12 V13	G5-G9 PolarHBondContact O-N 3.13Å; Q6-G9 PolarHBondContact O-N 3.11Å; L7-G9 PolarHBondContact O-N 2.91Å; G9-F12 PolarHBondContact O-N 2.92Å; G9-V13 WeakPolarHBondContact O-CG2 3.48Å; G9-V13 PolarHBondContact O-N 2.76Å
10	Q	38.1	Very low	38.8	Very low	138 Å²	138	108.7 Å²	108.7	65%	0.645	55%	0.554	S	S	*	*	H	α-helix	trans	-68.2	-38	-179.5	-158.6	166.7	13.3	0	0	112.3	Q6 L7 T14	Q6-Q10 WeakPolarHBondContact O-CB 3.46Å; Q6-Q10 PolarHBondContact O-N 3.14Å; L7-Q10 PolarHBondContact O-N 3.42Å; Q10-T14 WeakPolarHBondContact O-CG2 3.39Å; Q10-T14 PolarHBondContact O-N 3.27Å; Q10-T14 VanDerWaalsContact O-N 3.09Å; Q10-T14 PolarHBondContact O-OG1 2.89Å
11	V	40.8	Very low	38.8	Very low	58 Å²	58	106.5 Å²	106.5	35%	0.352	56%	0.558	S	S	.	*	H	α-helix	trans	-65.6	-44	171.4	169.8	0	0	0	0	111.6	L7 A8 V13 T14 V15	L7-V11 WeakPolarHBondContact O-CB 3.41Å; L7-V11 VanDerWaalsContact O-CG2 3.26Å; L7-V11 WeakPolarHBondContact O-CG2 3.49Å; L7-V11 PolarHBondContact O-N 3.02Å; A8-V11 PolarHBondContact O-N 3.41Å; V11-V13 PolarHBondContact O-N 3.05Å; V11-T14 WeakPolarHBondContact CA-OG1 3.44Å; V11-T14 PolarHBondContact O-N 3.5Å; V11-T14 PolarHBondContact O-OG1 3.12Å; V11-T14 VanDerWaalsContact O-OG1 3.07Å; V11-V15 HydrophobicContact CG1-CG2 4.17Å; V11-V15 WeakPolarHBondContact O-CB 3.1Å; V11-V15 VanDerWaalsContact O-CG2 3.25Å; V11-V15 WeakPolarHBondContact O-CG2 3.19Å; V11-V15 PolarHBondContact O-N 3.33Å
12	F	36.7	Very low	39	Very low	160 Å²	160	98.3 Å²	98.3	70%	0.702	52%	0.519	S	S	*	.	H	α-helix	trans	-66.8	-35.5	179.1	-98.5	-86.3	0	0	0	113.3	A8 G9 K16	A8-F12 WeakPolarHBondContact O-CB 3.43Å; A8-F12 WeakPolarHBondContact O-CD2 3.21Å; A8-F12 PolarHBondContact O-N 3.49Å; G9-F12 PolarHBondContact O-N 2.92Å; F12-K16 VanDerWaalsContact O-CB 3.29Å; F12-K16 WeakPolarHBondContact O-CB 3.49Å; F12-K16 PolarHBondContact O-N 2.93Å; F12-K16 VanDerWaalsContact O-N 3.12Å
13	V	38	Very low	39.1	Very low	83 Å²	83	95 Å²	95	50%	0.503	50%	0.501	S	S	.	.	H	α-helix	trans	-66.8	-50	174	171.9	0	0	0	0	110.4	G9 V11 V15 K16 E17	G9-V13 WeakPolarHBondContact O-CG2 3.48Å; G9-V13 PolarHBondContact O-N 2.76Å; V11-V13 PolarHBondContact O-N 3.05Å; V13-V15 PolarHBondContact O-N 2.84Å; V13-K16 CarbonylContact O-C 3.51Å; V13-K16 WeakPolarHBondContact O-CA 3.44Å; V13-K16 WeakPolarHBondContact O-CB 3.45Å; V13-K16 PolarHBondContact O-N 3.01Å; V13-K16 VanDerWaalsContact O-N 3.07Å; V13-E17 PolarHBondContact O-N 3.28Å
14	T	43.3	Very low	39.5	Very low	23 Å²	23	89.5 Å²	89.5	14%	0.141	49%	0.489	C	S	.	.	H	α-helix	trans	-64.8	-37.7	179.8	46.7	0	0	0	0	113.4	Q10 V11 K16 E17 L18 T707	Q10-T14 WeakPolarHBondContact O-CG2 3.39Å; Q10-T14 PolarHBondContact O-N 3.27Å; Q10-T14 VanDerWaalsContact O-N 3.09Å; Q10-T14 PolarHBondContact O-OG1 2.89Å; V11-T14 WeakPolarHBondContact CA-OG1 3.44Å; V11-T14 PolarHBondContact O-N 3.5Å; V11-T14 PolarHBondContact O-OG1 3.12Å; V11-T14 VanDerWaalsContact O-OG1 3.07Å; T14-K16 VanDerWaalsContact C-N 3.3Å; T14-K16 PolarHBondContact O-N 2.76Å; T14-E17 PolarHBondContact O-N 2.73Å; T14-L18 WeakPolarHBondContact O-CB 3.41Å; T14-L18 PolarHBondContact O-N 3.33Å; T14-T707 HydrophobicContact CG2-CG2 4.43Å
15	V	38.6	Very low	39.3	Very low	49 Å²	49	86.2 Å²	86.2	30%	0.297	47%	0.473	S	S	.	.	H	α-helix	trans	-61.8	-39.3	171.3	168.9	0	0	0	0	110.9	V11 V13 E17 L18 Y19	V11-V15 HydrophobicContact CG1-CG2 4.17Å; V11-V15 WeakPolarHBondContact O-CB 3.1Å; V11-V15 VanDerWaalsContact O-CG2 3.25Å; V11-V15 WeakPolarHBondContact O-CG2 3.19Å; V11-V15 PolarHBondContact O-N 3.33Å; V13-V15 PolarHBondContact O-N 2.84Å; V15-E17 VanDerWaalsContact C-N 3.28Å; V15-E17 PolarHBondContact O-N 3Å; V15-L18 WeakPolarHBondContact O-CB 3.39Å; V15-L18 PolarHBondContact O-N 2.98Å; V15-Y19 HydrophobicContact CG1-CD2 3.86Å; V15-Y19 HydrophobicContact CG1-CE2 4.09Å; V15-Y19 WeakPolarHBondContact O-CD2 3.5Å; V15-Y19 PolarHBondContact O-N 3.3Å
16	K	38.2	Very low	40.1	Very low	149 Å²	149	86.4 Å²	86.4	65%	0.648	46%	0.464	S	S	*	.	H	α-helix	trans	-69	-24.2	176.5	-169.5	175.4	-176.9	178.9	0	113.1	F12 V13 T14 K20	F12-K16 VanDerWaalsContact O-CB 3.29Å; F12-K16 WeakPolarHBondContact O-CB 3.49Å; F12-K16 PolarHBondContact O-N 2.93Å; F12-K16 VanDerWaalsContact O-N 3.12Å; V13-K16 CarbonylContact O-C 3.51Å; V13-K16 WeakPolarHBondContact O-CA 3.44Å; V13-K16 WeakPolarHBondContact O-CB 3.45Å; V13-K16 PolarHBondContact O-N 3.01Å; V13-K16 VanDerWaalsContact O-N 3.07Å; T14-K16 VanDerWaalsContact C-N 3.3Å; T14-K16 PolarHBondContact O-N 2.76Å; K16-K20 WeakPolarHBondContact O-CG 3.43Å; K16-K20 PolarHBondContact O-N 3.41Å
17	E	43.4	Very low	41.6	Very low	111 Å²	111	80.6 Å²	80.6	52%	0.519	44%	0.437	S	S	.	.	H	α-helix	trans	-83	-40.6	172	-70.4	176.1	153.1	0	0	111.8	V13 T14 V15 Y19 K20 G21	V13-E17 PolarHBondContact O-N 3.28Å; T14-E17 PolarHBondContact O-N 2.73Å; V15-E17 VanDerWaalsContact C-N 3.28Å; V15-E17 PolarHBondContact O-N 3Å; E17-Y19 VanDerWaalsContact C-N 3.31Å; E17-Y19 PolarHBondContact O-N 2.92Å; E17-K20 WeakPolarHBondContact O-CA 3.46Å; E17-K20 WeakPolarHBondContact O-CB 3.45Å; E17-K20 PolarHBondContact O-N 3.12Å; E17-G21 PolarHBondContact O-N 2.88Å
18	L	45.4	Very low	43.6	Very low	19 Å²	19	76.2 Å²	76.2	10%	0.099	42%	0.416	C	S	.	.	H	α-helix	trans	-51.8	-48.3	167.3	-108	161.4	0	0	0	111.4	T14 V15 K20 G21 L22 I704 P706 T707 M744	T14-L18 WeakPolarHBondContact O-CB 3.41Å; T14-L18 PolarHBondContact O-N 3.33Å; V15-L18 WeakPolarHBondContact O-CB 3.39Å; V15-L18 PolarHBondContact O-N 2.98Å; L18-K20 VanDerWaalsContact C-N 3.3Å; L18-K20 PolarHBondContact O-N 3.16Å; L18-G21 PolarHBondContact O-N 3.34Å; L18-L22 HydrophobicContact CD2-CD1 3.75Å; L18-L22 HydrophobicContact CD2-CG 4.5Å; L18-L22 VanDerWaalsContact O-CB 3.24Å; L18-L22 WeakPolarHBondContact O-CB 3.46Å; L18-L22 WeakPolarHBondContact O-CG 3.49Å; L18-L22 PolarHBondContact O-N 2.85Å; L18-I704 HydrophobicContact CD1-CG2 4.06Å; L18-P706 HydrophobicContact CD1-CG 4.44Å; L18-P706 HydrophobicContact CD2-CG 3.75Å; L18-P706 HydrophobicContact CG-CG 4.19Å; L18-T707 HydrophobicContact CD1-CG2 3.93Å; L18-T707 WeakPolarHBondContact CD1-OG1 3.37Å; L18-T707 HydrophobicContact CG-CG2 3.92Å; L18-M744 HydrophobicContact CD2-CE 4.05Å
19	Y	38.6	Very low	46	Very low	175 Å²	175	74.1 Å²	74.1	69%	0.686	40%	0.398	S	S	*	.	H	α-helix	trans	-73.3	-13.5	176.2	-90.3	-86.7	0	0	0	114.8	V15 E17	V15-Y19 HydrophobicContact CG1-CD2 3.86Å; V15-Y19 HydrophobicContact CG1-CE2 4.09Å; V15-Y19 WeakPolarHBondContact O-CD2 3.5Å; V15-Y19 PolarHBondContact O-N 3.3Å; E17-Y19 VanDerWaalsContact C-N 3.31Å; E17-Y19 PolarHBondContact O-N 2.92Å
20	K	39.9	Very low	48.7	Very low	157 Å²	157	72.4 Å²	72.4	68%	0.683	38%	0.38	S	S	*	.	H	α-helix	trans	-82.6	-36.7	168.6	-83.2	174.3	170.1	-172.8	0	111.8	K16 E17 L18	K16-K20 WeakPolarHBondContact O-CG 3.43Å; K16-K20 PolarHBondContact O-N 3.41Å; E17-K20 WeakPolarHBondContact O-CA 3.46Å; E17-K20 WeakPolarHBondContact O-CB 3.45Å; E17-K20 PolarHBondContact O-N 3.12Å; L18-K20 VanDerWaalsContact C-N 3.3Å; L18-K20 PolarHBondContact O-N 3.16Å
21	G	38.8	Very low	51.3	Low	62 Å²	62	66.1 Å²	66.1	64%	0.639	35%	0.351	S	S	*	.	H	α-helix	trans	-72.3	-44.5	172.4	0	0	0	0	0	112.2	E17 L18 N23	E17-G21 PolarHBondContact O-N 2.88Å; L18-G21 PolarHBondContact O-N 3.34Å; G21-N23 PolarHBondContact O-N 3.45Å
22	L	45.7	Very low	53.9	Low	47 Å²	47	63.5 Å²	63.5	25%	0.246	34%	0.335	C	S	.	.			trans	-78.3	56.1	172.6	-65.8	167.8	0	0	0	111.5	L18 P24 L27 M744	L18-L22 HydrophobicContact CD2-CD1 3.75Å; L18-L22 HydrophobicContact CD2-CG 4.5Å; L18-L22 VanDerWaalsContact O-CB 3.24Å; L18-L22 WeakPolarHBondContact O-CB 3.46Å; L18-L22 WeakPolarHBondContact O-CG 3.49Å; L18-L22 PolarHBondContact O-N 2.85Å; L22-P24 WeakPolarHBondContact O-CD 3.37Å; L22-L27 HydrophobicContact CD2-CD2 4.01Å; L22-M744 HydrophobicContact CD1-CE 4.41Å; L22-M744 HydrophobicContact CD2-CE 4.09Å; L22-M744 HydrophobicContact CG-CE 4.31Å
23	N	44	Very low	56.8	Low	74 Å²	74	55.9 Å²	55.9	40%	0.396	30%	0.302	S	S	.	.			trans	-61.8	116.2	165.5	173.6	-0.6	0	0	0	108.2	G21 A25 T26	G21-N23 PolarHBondContact O-N 3.45Å; N23-A25 PolarHBondContact O-N 3.16Å; N23-A25 PolarHBondContact OD1-N 3.26Å; N23-T26 HydrophobicContact CB-CG2 4.42Å; N23-T26 WeakPolarHBondContact CB-OG1 3.39Å; N23-T26 PolarHBondContact O-N 3.07Å; N23-T26 PolarHBondContact O-OG1 2.91Å
24	P	40.8	Very low	59.6	Low	75 Å²	75	52 Å²	52	49%	0.487	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66	-12	-170.3	-20.9	33.3	0	0	0	114.5	L22 F772	L22-P24 WeakPolarHBondContact O-CD 3.37Å; P24-F772 HydrophobicContact CB-CE2 3.7Å; P24-F772 HydrophobicContact CB-CZ 3.7Å
25	A	35.3	Very low	62.2	Low	43 Å²	43	50.9 Å²	50.9	36%	0.355	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.8	-18.4	173.8	0	0	0	0	0	114.2	N23 G53 K54	N23-A25 PolarHBondContact O-N 3.16Å; N23-A25 PolarHBondContact OD1-N 3.26Å; A25-G53 CarbonylContact O-C 3.57Å; A25-G53 WeakPolarHBondContact O-CA 3.36Å; A25-K54 PolarHBondContact O-N 3.06Å
26	T	51.4	Low	65	Low	58 Å²	58	48.5 Å²	48.5	36%	0.356	26%	0.257	S	S	.	.			trans	-118.9	27.3	-166.2	66.7	0	0	0	0	113.8	N23 S28 M55	N23-T26 HydrophobicContact CB-CG2 4.42Å; N23-T26 WeakPolarHBondContact CB-OG1 3.39Å; N23-T26 PolarHBondContact O-N 3.07Å; N23-T26 PolarHBondContact O-OG1 2.91Å; T26-S28 PolarHBondContact O-N 2.86Å; T26-M55 HydrophobicContact CG2-CE 4.19Å; T26-M55 HydrophobicContact CG2-SD 4.49Å
27	L	67.5	Low	67.8	Low	21 Å²	21	45.7 Å²	45.7	11%	0.11	24%	0.243	C	C	.	.			trans	-74.1	62.7	177.1	-70.3	159.4	0	0	0	111.9	L22 G740 L771 F772	L22-L27 HydrophobicContact CD2-CD2 4.01Å; L27-G740 WeakPolarHBondContact CD2-O 3.41Å; L27-L771 HydrophobicContact CD1-CD1 3.85Å; L27-L771 HydrophobicContact CD1-CG 4.48Å; L27-L771 HydrophobicContact CD2-CD1 4.22Å; L27-F772 HydrophobicContact CD1-CE2 4.48Å
28	S	80	Confident	70.3	Confident	17 Å²	17	41.2 Å²	41.2	12%	0.119	22%	0.221	C	C	.	.			trans	-70.7	158.1	163.7	-55.7	0	0	0	0	110.2	T26 R51 F52 G53	T26-S28 PolarHBondContact O-N 2.86Å; S28-R51 CarbonylContact C-O 3.59Å; S28-R51 WeakPolarHBondContact CA-O 3.36Å; S28-F52 WeakPolarHBondContact OG-CA 3.38Å; S28-G53 PolarHBondContact OG-N 2.94Å; S28-G53 VanDerWaalsContact OG-N 3.1Å
29	G	87.1	Confident	72.5	Confident	0 Å²	0	44 Å²	44	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	167.6	155.2	179.2	0	0	0	0	0	111.7	R51 C673 I739	G29-R51 PolarHBondContact N-O 3.27Å; G29-R51 PolarHBondContact O-N 3.38Å; G29-C673 WeakPolarHBondContact CA-SG 3.41Å; G29-I739 WeakPolarHBondContact O-CD1 3.38Å; G29-I739 WeakPolarHBondContact O-CG1 3.47Å
30	C	91.4	Very high	75	Confident	1 Å²	1	41 Å²	41	1%	0.007	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	155.5	172.1	76.4	0	0	0	0	111.2	H49 V50 F661 C673 E674 A742	C30-H49 CarbonylContact C-O 3.58Å; C30-H49 VanDerWaalsContact CA-O 3.25Å; C30-H49 WeakPolarHBondContact CA-O 3.46Å; C30-H49 WeakPolarHBondContact CB-O 3.37Å; C30-V50 HydrophobicContact CB-CB 4.29Å; C30-V50 HydrophobicContact CB-CG1 4.39Å; C30-V50 HydrophobicContact CB-CG2 3.88Å; C30-F661 HydrophobicContact CB-CD2 4.27Å; C30-F661 HydrophobicContact CB-CE2 4.23Å; C30-C673 PolarHBondContact N-SG 2.77Å; C30-E674 PolarHBondContact SG-O 3.13Å; C30-A742 WeakPolarHBondContact O-CB 3.47Å
31	I	92.8	Very high	77.4	Confident	7 Å²	7	35.2 Å²	35.2	4%	0.036	22%	0.222	C	C	.	.	P	Polyproline II helix	trans	-93.7	137.7	173.7	-51	-173.2	0	0	0	107.7	I33 H49 I739 V764 L765 L766 P768	I31-I33 WeakPolarHBondContact O-CD1 3.13Å; I31-H49 HydrophobicContact CB-CB 4.09Å; I31-H49 HydrophobicContact CD1-CB 3.73Å; I31-H49 HydrophobicContact CG1-CB 3.8Å; I31-H49 PolarHBondContact N-O 3.49Å; I31-I739 HydrophobicContact CD1-CD1 4.49Å; I31-I739 HydrophobicContact CG1-CB 4.47Å; I31-I739 HydrophobicContact CG1-CD1 3.99Å; I31-I739 HydrophobicContact CG1-CG1 3.95Å; I31-V764 WeakPolarHBondContact CG2-O 3.49Å; I31-L765 HydrophobicContact CG2-CD2 4.19Å; I31-L766 HydrophobicContact CD1-CB 4.06Å; I31-L766 WeakPolarHBondContact CD1-O 3.26Å; I31-L766 HydrophobicContact CG1-CB 4.18Å; I31-P768 HydrophobicContact CD1-CB 4.12Å
32	D	96	Very high	80.1	Confident	3 Å²	3	35.2 Å²	35.2	2%	0.016	21%	0.207	C	C	.	.	P	Polyproline II helix	trans	-60.8	141.4	179.1	-64.2	-29.4	0	0	0	111.1	T676 Y678 R746 P763 V764	D32-T676 WeakPolarHBondContact CA-O 3.45Å; D32-T676 WeakPolarHBondContact CB-O 3.4Å; D32-T676 PolarHBondContact OD1-N 3.06Å; D32-Y678 HydrophobicContact CB-CE2 4.28Å; D32-R746 WeakPolarHBondContact OD1-CD 3.06Å; D32-R746 IonicContact OD1-NE 2.72Å; D32-R746 PolarHBondContact OD1-NE 3.27Å; D32-P763 HydrophobicContact CB-CB 3.77Å; D32-V764 PolarHBondContact OD2-N 3.45Å
33	I	96.4	Very high	82.4	Confident	0 Å²	0	33.8 Å²	33.8	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	135	-174.4	-60.1	93.6	0	0	0	109.6	I31 V35 C45 S46 F48 V659 F661 T676 I677 Y678	I31-I33 WeakPolarHBondContact O-CD1 3.13Å; I33-V35 HydrophobicContact CG2-CG2 4.17Å; I33-C45 HydrophobicContact CG2-CB 4.29Å; I33-S46 WeakPolarHBondContact CA-OG 3.4Å; I33-F48 HydrophobicContact CD1-CD1 3.9Å; I33-F48 HydrophobicContact CD1-CE1 4.08Å; I33-F48 HydrophobicContact CD1-CG 4.44Å; I33-F48 HydrophobicContact CG1-CD1 3.87Å; I33-F48 HydrophobicContact CG1-CD2 4.25Å; I33-F48 HydrophobicContact CG1-CE1 4.04Å; I33-F48 HydrophobicContact CG1-CE2 4.4Å; I33-F48 HydrophobicContact CG1-CG 3.98Å; I33-F48 HydrophobicContact CG1-CZ 4.3Å; I33-F48 HydrophobicContact CG2-CD2 4.24Å; I33-F48 HydrophobicContact CG2-CE2 3.82Å; I33-F48 HydrophobicContact CG2-CZ 3.98Å; I33-V659 HydrophobicContact CD1-CG1 4.48Å; I33-F661 HydrophobicContact CD1-CZ 4.37Å; I33-T676 PolarHBondContact N-O 2.67Å; I33-I677 HydrophobicContact CB-CG1 4.26Å; I33-I677 HydrophobicContact CB-CG2 4.27Å; I33-I677 HydrophobicContact CD1-CG1 4.23Å; I33-I677 HydrophobicContact CG2-CG2 4.31Å; I33-I677 CarbonylContact O-C 3.38Å; I33-I677 WeakPolarHBondContact O-CA 3.15Å; I33-Y678 PolarHBondContact O-N 3.5Å
34	I	97.6	Very high	84.9	Confident	0 Å²	0	33.5 Å²	33.5	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	125	173.3	-45.9	-171.1	0	0	0	108.1	V36 C45 S46 W680 L732 P763 I795 L798	I34-V36 HydrophobicContact CG2-CG2 4.08Å; I34-C45 CarbonylContact O-C 3.52Å; I34-C45 VanDerWaalsContact O-CA 3.27Å; I34-C45 WeakPolarHBondContact O-CA 3.32Å; I34-S46 PolarHBondContact N-OG 2.9Å; I34-S46 PolarHBondContact O-N 3.18Å; I34-W680 HydrophobicContact CD1-CZ3 4.09Å; I34-W680 HydrophobicContact CG2-CD2 4.28Å; I34-W680 HydrophobicContact CG2-CE3 3.63Å; I34-W680 HydrophobicContact CG2-CZ3 3.96Å; I34-L732 HydrophobicContact CD1-CD1 3.61Å; I34-P763 HydrophobicContact CD1-CB 4.15Å; I34-P763 HydrophobicContact CD1-CG 3.61Å; I34-P763 HydrophobicContact CG1-CB 3.97Å; I34-P763 HydrophobicContact CG1-CG 3.77Å; I34-I795 HydrophobicContact CD1-CD1 4Å; I34-I795 HydrophobicContact CD1-CG1 4.39Å; I34-I795 HydrophobicContact CD1-CG2 4.05Å; I34-I795 HydrophobicContact CG1-CD1 4.37Å; I34-L798 HydrophobicContact CB-CD1 4.43Å
35	V	97.6	Very high	87.5	Confident	0 Å²	0	30.1 Å²	30.1	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	124.3	173.6	-176.3	0	0	0	0	108.1	I33 L43 Q44 C45 L647 L652 I677 Y678 L679 W680	I33-V35 HydrophobicContact CG2-CG2 4.17Å; V35-L43 HydrophobicContact CG1-CB 4.03Å; V35-L43 HydrophobicContact CG1-CD1 4.45Å; V35-L43 HydrophobicContact CG1-CD2 4.4Å; V35-Q44 CarbonylContact C-O 3.53Å; V35-Q44 VanDerWaalsContact CA-O 3.29Å; V35-Q44 WeakPolarHBondContact CA-O 3.47Å; V35-C45 HydrophobicContact CG2-CB 3.94Å; V35-L647 HydrophobicContact CG1-CD1 4.43Å; V35-L647 HydrophobicContact CG1-CD2 4.49Å; V35-L647 HydrophobicContact CG2-CD2 4.14Å; V35-L652 HydrophobicContact CB-CD1 4.17Å; V35-L652 HydrophobicContact CG1-CD1 4.22Å; V35-L652 HydrophobicContact CG2-CD1 3.83Å; V35-I677 HydrophobicContact CG2-CG2 3.6Å; V35-Y678 PolarHBondContact N-O 2.92Å; V35-L679 HydrophobicContact CB-CD1 4.07Å; V35-L679 HydrophobicContact CG1-CD1 3.77Å; V35-L679 WeakPolarHBondContact O-CA 3.12Å; V35-W680 PolarHBondContact O-N 3.06Å
36	V	97.3	Very high	90.4	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	118.1	-177.2	-174.3	0	0	0	0	110	I34 Q38 Q44 W680 W682 L798 F799	I34-V36 HydrophobicContact CG2-CG2 4.08Å; V36-Q38 PolarHBondContact O-N 3.28Å; V36-Q38 PolarHBondContact O-NE2 3.42Å; V36-Q44 PolarHBondContact N-O 3.18Å; V36-Q44 PolarHBondContact O-N 3.44Å; V36-Q44 VanDerWaalsContact O-N 3.16Å; V36-W680 WeakPolarHBondContact CA-O 3.14Å; V36-W682 HydrophobicContact CG1-CB 4.2Å; V36-L798 HydrophobicContact CB-CB 4.09Å; V36-L798 WeakPolarHBondContact CB-O 3.32Å; V36-L798 WeakPolarHBondContact CG1-O 3.11Å; V36-L798 HydrophobicContact CG2-CB 3.66Å; V36-L798 HydrophobicContact CG2-CD1 4.38Å; V36-F799 HydrophobicContact CG1-CD1 4.01Å; V36-F799 HydrophobicContact CG1-CE1 4.33Å; V36-F799 HydrophobicContact CG1-CG 4.36Å; V36-F799 HydrophobicContact CG2-CD1 4.42Å; V36-F799 HydrophobicContact CG2-CD2 4.39Å; V36-F799 HydrophobicContact CG2-CE1 4.17Å; V36-F799 HydrophobicContact CG2-CE2 4.14Å; V36-F799 HydrophobicContact CG2-CZ 4.03Å
37	R	96.4	Very high	92.3	Very high	90 Å²	90	26.5 Å²	26.5	34%	0.34	15%	0.148	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	116.6	172.3	-171	-166.6	-59.3	-91.4	3	109.7	L43 N654 W680 W682	R37-L43 HydrophobicContact CB-CD2 3.97Å; R37-L43 HydrophobicContact CG-CD2 4.1Å; R37-N654 PolarHBondContact NH2-OD1 3.42Å; R37-W680 PolarHBondContact N-O 2.57Å; R37-W682 WeakPolarHBondContact O-CB 3.24Å; R37-W682 PolarHBondContact O-N 2.86Å
38	Q	95.4	Very high	93.6	Very high	16 Å²	16	25.7 Å²	25.7	8%	0.075	14%	0.143	C	C	.	.			trans	-76.2	163.4	177.9	-53.8	-59.2	-85.7	0	0	111	V36 D40 G41 N42 Q44 L798 Y800	V36-Q38 PolarHBondContact O-N 3.28Å; V36-Q38 PolarHBondContact O-NE2 3.42Å; Q38-D40 WeakPolarHBondContact CB-OD1 3.47Å; Q38-D40 PolarHBondContact O-N 2.92Å; Q38-G41 PolarHBondContact O-N 2.92Å; Q38-G41 VanDerWaalsContact O-N 3.12Å; Q38-N42 HydrophobicContact CB-CB 4.48Å; Q38-N42 WeakPolarHBondContact CB-O 3.38Å; Q38-N42 HydrophobicContact CG-CB 4.36Å; Q38-N42 WeakPolarHBondContact CG-O 3.39Å; Q38-N42 PolarHBondContact N-O 3.32Å; Q38-Q44 HydrophobicContact CG-CG 4.08Å; Q38-L798 PolarHBondContact NE2-O 3.47Å; Q38-Y800 PolarHBondContact OE1-O 3.01Å
39	P	92.3	Very high	94.1	Very high	79 Å²	79	27.4 Å²	27.4	51%	0.513	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-27.8	178.6	-19.4	29.1	0	0	0	114.7	G41 W682 P801	P39-G41 VanDerWaalsContact C-N 3.28Å; P39-G41 PolarHBondContact O-N 3.32Å; P39-W682 HydrophobicContact CG-CD2 3.84Å; P39-W682 HydrophobicContact CG-CE3 4.48Å; P39-W682 HydrophobicContact CG-CG 3.94Å; P39-W682 HydrophobicContact CG-CZ2 4.36Å; P39-P801 VanDerWaalsContact CG-CD 3.45Å; P39-P801 HydrophobicContact CG-CG 4.05Å
40	D	91.9	Very high	94.3	Very high	111 Å²	111	27.6 Å²	27.6	59%	0.594	15%	0.151	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.7	-0.4	178.7	67.6	-8.8	0	0	0	113.5	Q38 N42	Q38-D40 WeakPolarHBondContact CB-OD1 3.47Å; Q38-D40 PolarHBondContact O-N 2.92Å; D40-N42 VanDerWaalsContact C-N 3.34Å; D40-N42 VanDerWaalsContact OD1-CB 3.32Å; D40-N42 WeakPolarHBondContact OD1-CB 3.43Å; D40-N42 PolarHBondContact OD1-N 3.39Å; D40-N42 PolarHBondContact OD2-ND2 3.47Å
41	G	90.3	Very high	94.1	Very high	36 Å²	36	29.5 Å²	29.5	37%	0.371	16%	0.158	S	C	.	.	S	Bend	trans	82.9	2.1	-176.3	0	0	0	0	0	115	Q38 P39	Q38-G41 PolarHBondContact O-N 2.92Å; Q38-G41 VanDerWaalsContact O-N 3.12Å; P39-G41 VanDerWaalsContact C-N 3.28Å; P39-G41 PolarHBondContact O-N 3.32Å
42	N	94.1	Very high	93.6	Very high	61 Å²	61	29.6 Å²	29.6	33%	0.326	16%	0.158	S	C	.	.			trans	-73.6	163.2	168.1	-73	-47.7	0	0	0	111.6	Q38 D40 S644 K648	Q38-N42 HydrophobicContact CB-CB 4.48Å; Q38-N42 WeakPolarHBondContact CB-O 3.38Å; Q38-N42 HydrophobicContact CG-CB 4.36Å; Q38-N42 WeakPolarHBondContact CG-O 3.39Å; Q38-N42 PolarHBondContact N-O 3.32Å; D40-N42 VanDerWaalsContact C-N 3.34Å; D40-N42 VanDerWaalsContact OD1-CB 3.32Å; D40-N42 WeakPolarHBondContact OD1-CB 3.43Å; D40-N42 PolarHBondContact OD1-N 3.39Å; D40-N42 PolarHBondContact OD2-ND2 3.47Å; N42-S644 WeakPolarHBondContact CA-OG 3.43Å; N42-S644 PolarHBondContact OD1-OG 2.96Å; N42-K648 PolarHBondContact OD1-NZ 3.36Å
43	L	95.8	Very high	92.5	Very high	17 Å²	17	29.7 Å²	29.7	9%	0.089	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	129	-178.4	-58.4	-179.1	0	0	0	108.9	V35 R37 S644 L647 K648 L679	V35-L43 HydrophobicContact CG1-CB 4.03Å; V35-L43 HydrophobicContact CG1-CD1 4.45Å; V35-L43 HydrophobicContact CG1-CD2 4.4Å; R37-L43 HydrophobicContact CB-CD2 3.97Å; R37-L43 HydrophobicContact CG-CD2 4.1Å; L43-S644 PolarHBondContact N-OG 2.9Å; L43-S644 WeakPolarHBondContact O-CA 3.39Å; L43-S644 WeakPolarHBondContact O-CB 3.49Å; L43-L647 HydrophobicContact CB-CB 3.82Å; L43-L647 HydrophobicContact CB-CD1 3.93Å; L43-L647 HydrophobicContact CD1-CB 3.77Å; L43-L647 HydrophobicContact CG-CB 4.44Å; L43-L647 WeakPolarHBondContact O-CD1 3.49Å; L43-K648 HydrophobicContact CD1-CG 3.98Å; L43-K648 HydrophobicContact CG-CG 4.41Å; L43-L679 HydrophobicContact CD2-CD1 4.05Å
44	Q	95.6	Very high	90.9	Very high	69 Å²	69	37.2 Å²	37.2	32%	0.322	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	144.6	167.1	-60.9	-162.5	43.3	0	0	109.6	V35 V36 Q38 L798	V35-Q44 CarbonylContact C-O 3.53Å; V35-Q44 VanDerWaalsContact CA-O 3.29Å; V35-Q44 WeakPolarHBondContact CA-O 3.47Å; V36-Q44 PolarHBondContact N-O 3.18Å; V36-Q44 PolarHBondContact O-N 3.44Å; V36-Q44 VanDerWaalsContact O-N 3.16Å; Q38-Q44 HydrophobicContact CG-CG 4.08Å; Q44-L798 HydrophobicContact CB-CD2 3.91Å
45	C	96	Very high	88.7	Confident	3 Å²	3	38.8 Å²	38.8	2%	0.02	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	152.3	176.6	73.6	0	0	0	0	113.3	I33 I34 V35 F48 R641 L647	I33-C45 HydrophobicContact CG2-CB 4.29Å; I34-C45 CarbonylContact O-C 3.52Å; I34-C45 VanDerWaalsContact O-CA 3.27Å; I34-C45 WeakPolarHBondContact O-CA 3.32Å; V35-C45 HydrophobicContact CG2-CB 3.94Å; C45-F48 HydrophobicContact CB-CE2 4.29Å; C45-R641 PolarHBondContact O-NE 2.86Å; C45-R641 PolarHBondContact O-NH1 3.45Å; C45-L647 HydrophobicContact CB-CD1 3.75Å; C45-L647 HydrophobicContact CB-CD2 3.86Å; C45-L647 HydrophobicContact CB-CG 4.45Å
46	S	95.1	Very high	86.4	Confident	3 Å²	3	42.8 Å²	42.8	2%	0.021	24%	0.241	C	C	.	.			trans	-64.6	167.2	161.3	67.9	0	0	0	0	111.2	I33 I34	I33-S46 WeakPolarHBondContact CA-OG 3.4Å; I34-S46 PolarHBondContact N-OG 2.9Å; I34-S46 PolarHBondContact O-N 3.18Å
47	P	92.6	Very high	83.9	Confident	23 Å²	23	46.4 Å²	46.4	15%	0.149	26%	0.263	C	S	.	.			trans	-67.1	133.8	176.4	-17.9	31.7	0	0	0	112.4	H49 L640 D794	P47-H49 VanDerWaalsContact C-N 3.32Å; P47-H49 PolarHBondContact O-N 2.96Å; P47-L640 CarbonylContact C-O 3.58Å; P47-L640 WeakPolarHBondContact CA-O 3.38Å; P47-L640 HydrophobicContact CB-CB 3.93Å; P47-L640 HydrophobicContact CB-CD1 4.49Å; P47-D794 WeakPolarHBondContact CD-OD2 3.28Å
48	F	93.6	Very high	81.4	Confident	3 Å²	3	45.3 Å²	45.3	1%	0.013	26%	0.264	C	S	.	.			trans	-73.7	81.4	170.2	-76.5	-110.2	0	0	0	109.8	I33 C45 V50 M78 F88 L640 L642 F661 I677	I33-F48 HydrophobicContact CD1-CD1 3.9Å; I33-F48 HydrophobicContact CD1-CE1 4.08Å; I33-F48 HydrophobicContact CD1-CG 4.44Å; I33-F48 HydrophobicContact CG1-CD1 3.87Å; I33-F48 HydrophobicContact CG1-CD2 4.25Å; I33-F48 HydrophobicContact CG1-CE1 4.04Å; I33-F48 HydrophobicContact CG1-CE2 4.4Å; I33-F48 HydrophobicContact CG1-CG 3.98Å; I33-F48 HydrophobicContact CG1-CZ 4.3Å; I33-F48 HydrophobicContact CG2-CD2 4.24Å; I33-F48 HydrophobicContact CG2-CE2 3.82Å; I33-F48 HydrophobicContact CG2-CZ 3.98Å; C45-F48 HydrophobicContact CB-CE2 4.29Å; F48-V50 PolarHBondContact O-N 2.97Å; F48-M78 HydrophobicContact CB-CE 4.1Å; F48-F88 HydrophobicContact CB-CE2 3.86Å; F48-F88 HydrophobicContact CD1-CE2 4.04Å; F48-F88 HydrophobicContact CD1-CZ 4.09Å; F48-F88 AromaticContact CD2-CE2 3.93Å; F48-F88 HydrophobicContact CD2-CE2 3.93Å; F48-F88 HydrophobicContact CE1-CZ 4.39Å; F48-F88 HydrophobicContact CE2-CE2 4.48Å; F48-F88 AromaticContact CG-CE2 3.69Å; F48-F88 HydrophobicContact CG-CE2 3.69Å; F48-F88 HydrophobicContact CG-CZ 4.21Å; F48-L640 PolarHBondContact N-O 3.07Å; F48-L642 HydrophobicContact CE2-CD1 3.91Å; F48-L642 HydrophobicContact CE2-CG 4.11Å; F48-L642 HydrophobicContact CZ-CD1 3.77Å; F48-L642 HydrophobicContact CZ-CG 4.44Å; F48-F661 HydrophobicContact CD1-CE1 4.2Å; F48-F661 AromaticContact CD1-CZ 3.92Å; F48-F661 HydrophobicContact CD1-CZ 3.92Å; F48-F661 HydrophobicContact CE1-CZ 4.31Å; F48-I677 HydrophobicContact CE1-CD1 4.19Å; F48-I677 HydrophobicContact CZ-CD1 4.4Å
49	H	91.4	Very high	79.3	Confident	53 Å²	53	55.9 Å²	55.9	25%	0.245	30%	0.303	C	S	.	.			trans	-80.1	98.2	171.5	-70.4	-59.1	0	0	0	109.9	C30 I31 P47 I739 P768	C30-H49 CarbonylContact C-O 3.58Å; C30-H49 VanDerWaalsContact CA-O 3.25Å; C30-H49 WeakPolarHBondContact CA-O 3.46Å; C30-H49 WeakPolarHBondContact CB-O 3.37Å; I31-H49 HydrophobicContact CB-CB 4.09Å; I31-H49 HydrophobicContact CD1-CB 3.73Å; I31-H49 HydrophobicContact CG1-CB 3.8Å; I31-H49 PolarHBondContact N-O 3.49Å; P47-H49 VanDerWaalsContact C-N 3.32Å; P47-H49 PolarHBondContact O-N 2.96Å; H49-I739 HydrophobicContact CB-CD1 4.16Å; H49-I739 WeakPolarHBondContact O-CD1 3.39Å; H49-P768 HydrophobicContact CB-CB 4.42Å
50	V	90.6	Very high	77	Confident	5 Å²	5	53.9 Å²	53.9	3%	0.03	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	134.9	177.9	179.4	0	0	0	0	109.1	C30 F48 F52 M78 A86 F661	C30-V50 HydrophobicContact CB-CB 4.29Å; C30-V50 HydrophobicContact CB-CG1 4.39Å; C30-V50 HydrophobicContact CB-CG2 3.88Å; F48-V50 PolarHBondContact O-N 2.97Å; V50-F52 HydrophobicContact CG1-CE2 3.82Å; V50-F52 HydrophobicContact CG1-CZ 4.29Å; V50-M78 HydrophobicContact CB-CE 4.42Å; V50-M78 HydrophobicContact CB-SD 4.18Å; V50-M78 HydrophobicContact CG1-SD 4.47Å; V50-M78 HydrophobicContact CG2-CE 4.28Å; V50-M78 HydrophobicContact CG2-SD 4.04Å; V50-A86 HydrophobicContact CB-CB 4.09Å; V50-A86 HydrophobicContact CG1-CB 4.12Å; V50-A86 PolarHBondContact O-N 3.14Å; V50-F661 HydrophobicContact CB-CG 4.49Å; V50-F661 HydrophobicContact CG1-CB 3.86Å; V50-F661 HydrophobicContact CG1-CD1 4.21Å; V50-F661 HydrophobicContact CG1-CD2 3.98Å; V50-F661 HydrophobicContact CG1-CG 3.74Å; V50-F661 HydrophobicContact CG2-CD1 3.93Å; V50-F661 HydrophobicContact CG2-CD2 3.72Å; V50-F661 HydrophobicContact CG2-CE1 3.77Å; V50-F661 HydrophobicContact CG2-CE2 3.55Å; V50-F661 HydrophobicContact CG2-CG 3.91Å; V50-F661 HydrophobicContact CG2-CZ 3.58Å
51	R	86.4	Confident	75	Confident	41 Å²	41	59.8 Å²	59.8	16%	0.155	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	143.8	179.3	-166	167.9	-167.7	149.5	5.8	112.5	S28 G29 N83 G84 I739 S770	S28-R51 CarbonylContact C-O 3.59Å; S28-R51 WeakPolarHBondContact CA-O 3.36Å; G29-R51 PolarHBondContact N-O 3.27Å; G29-R51 PolarHBondContact O-N 3.38Å; R51-N83 PolarHBondContact NE-O 3.36Å; R51-N83 PolarHBondContact NH2-O 3.22Å; R51-G84 WeakPolarHBondContact CA-O 3.44Å; R51-G84 WeakPolarHBondContact CG-O 3.43Å; R51-I739 HydrophobicContact CB-CD1 4.02Å; R51-S770 WeakPolarHBondContact CD-OG 3.41Å; R51-S770 PolarHBondContact NE-OG 3.37Å; R51-S770 PolarHBondContact NH1-OG 3.37Å
52	F	83.7	Confident	73.5	Confident	9 Å²	9	61.8 Å²	61.8	4%	0.039	30%	0.304	C	S	.	.			trans	-111.6	146.3	170.1	-61.7	-90.2	0	0	0	109.8	S28 V50 V65 L80 G84 A86 F661 V663 C671 C673	S28-F52 WeakPolarHBondContact OG-CA 3.38Å; V50-F52 HydrophobicContact CG1-CE2 3.82Å; V50-F52 HydrophobicContact CG1-CZ 4.29Å; F52-V65 HydrophobicContact CE2-CG1 3.74Å; F52-V65 HydrophobicContact CE2-CG2 4.23Å; F52-V65 HydrophobicContact CZ-CG1 3.85Å; F52-L80 HydrophobicContact CB-CD1 4.4Å; F52-L80 HydrophobicContact CD2-CD1 3.77Å; F52-L80 HydrophobicContact CG-CD1 4.45Å; F52-G84 PolarHBondContact N-O 3.41Å; F52-G84 WeakPolarHBondContact O-CA 3.39Å; F52-A86 HydrophobicContact CE2-CB 4.46Å; F52-F661 HydrophobicContact CZ-CB 3.95Å; F52-V663 HydrophobicContact CD1-CG2 4.16Å; F52-V663 HydrophobicContact CD2-CG2 3.91Å; F52-V663 HydrophobicContact CE1-CB 4.36Å; F52-V663 HydrophobicContact CE1-CG2 3.89Å; F52-V663 HydrophobicContact CE2-CG2 3.62Å; F52-V663 HydrophobicContact CG-CG2 4.18Å; F52-V663 HydrophobicContact CZ-CG2 3.61Å; F52-C671 HydrophobicContact CD1-CB 4.25Å; F52-C673 HydrophobicContact CE1-CB 4.01Å; F52-C673 HydrophobicContact CZ-CB 4.27Å
53	G	73.2	Confident	72.5	Confident	5 Å²	5	62.4 Å²	62.4	5%	0.052	30%	0.304	C	S	.	.			trans	-55.8	147.8	178.9	0	0	0	0	0	112.9	A25 S28 M55	A25-G53 CarbonylContact O-C 3.57Å; A25-G53 WeakPolarHBondContact O-CA 3.36Å; S28-G53 PolarHBondContact OG-N 2.94Å; S28-G53 VanDerWaalsContact OG-N 3.1Å; G53-M55 VanDerWaalsContact C-N 3.3Å; G53-M55 PolarHBondContact O-N 2.95Å
54	K	61.3	Low	72.1	Confident	157 Å²	157	63.5 Å²	63.5	68%	0.683	31%	0.311	S	S	*	.			trans	-71.9	84.3	-175.2	-171.4	173.4	-177.6	169.1	0	111.5	A25 G56	A25-K54 PolarHBondContact O-N 3.06Å; K54-G56 PolarHBondContact O-N 3.06Å
55	M	52.1	Low	71.8	Confident	34 Å²	34	60.2 Å²	60.2	17%	0.167	30%	0.296	C	S	.	.			trans	-78.3	119.9	-173	-141.7	62.2	72.8	0	0	112.2	T26 G53 V57 L58 Q668	T26-M55 HydrophobicContact CG2-CE 4.19Å; T26-M55 HydrophobicContact CG2-SD 4.49Å; G53-M55 VanDerWaalsContact C-N 3.3Å; G53-M55 PolarHBondContact O-N 2.95Å; M55-V57 PolarHBondContact O-N 2.83Å; M55-L58 HydrophobicContact CB-CD1 4.26Å; M55-L58 PolarHBondContact O-N 3.44Å; M55-Q668 VanDerWaalsContact CG-CD 3.47Å; M55-Q668 VanDerWaalsContact CG-NE2 3.27Å; M55-Q668 PolarHBondContact SD-NE2 3.46Å; M55-Q668 PolarHBondContact SD-OE1 3.29Å
56	G	49.3	Very low	71.6	Confident	83 Å²	83	62.8 Å²	62.8	86%	0.856	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.5	3.8	-171.4	0	0	0	0	0	117.1	K54	K54-G56 PolarHBondContact O-N 3.06Å
57	V	44.3	Very low	71.5	Confident	77 Å²	77	63 Å²	63	47%	0.467	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-137.3	26.9	-175.6	-151.4	0	0	0	0	113.1	M55 R59 Y667	M55-V57 PolarHBondContact O-N 2.83Å; V57-R59 PolarHBondContact O-N 3.03Å; V57-Y667 HydrophobicContact CB-CD2 4.4Å; V57-Y667 HydrophobicContact CG1-CD2 3.76Å; V57-Y667 HydrophobicContact CG1-CE2 4.07Å; V57-Y667 HydrophobicContact CG1-CG 4.18Å
58	L	45.2	Very low	71.6	Confident	67 Å²	67	64.2 Å²	64.2	35%	0.351	31%	0.314	S	S	.	.			trans	-72.7	72	167.4	-89	163.8	0	0	0	110.9	M55 L80 T665	M55-L58 HydrophobicContact CB-CD1 4.26Å; M55-L58 PolarHBondContact O-N 3.44Å; L58-L80 HydrophobicContact CD1-CD2 3.76Å; L58-L80 HydrophobicContact CD2-CD2 4.31Å; L58-T665 HydrophobicContact CD2-CG2 3.86Å
59	R	50.1	Low	71.7	Confident	238 Å²	238	64.5 Å²	64.5	90%	0.898	32%	0.316	S	S	*	.			trans	-125.9	32	-176.3	-117.2	-166.3	-170.6	-147.3	5.1	114.4	V57	V57-R59 PolarHBondContact O-N 3.03Å
60	S	43.7	Very low	71.9	Confident	36 Å²	36	64.5 Å²	64.5	25%	0.252	32%	0.317	S	S	.	.	S	Bend	trans	-144.5	129.1	164.6	37.7	0	0	0	0	112.2	E62 Q666	S60-E62 PolarHBondContact O-N 3.19Å; S60-Q666 PolarHBondContact OG-OE1 3.32Å
61	R	50.3	Low	71.9	Confident	235 Å²	235	67.5 Å²	67.5	89%	0.887	35%	0.349	S	S	*	.	S	Bend	trans	25.4	-44.9	154.2	-67.4	175.6	174.5	162.1	-2.6	121.7	K63	R61-K63 PolarHBondContact O-N 2.97Å
62	E	59.5	Low	72.2	Confident	78 Å²	78	71.9 Å²	71.9	36%	0.364	37%	0.372	S	S	.	.			trans	-77.8	107.2	178.7	-65.4	99.4	-101.7	0	0	110.8	S60 Q666	S60-E62 PolarHBondContact O-N 3.19Å; E62-Q666 PolarHBondContact OE1-NE2 3.29Å; E62-Q666 WeakPolarHBondContact OE2-CG 3.39Å; E62-Q666 PolarHBondContact OE2-NE2 3.17Å
63	K	73.6	Confident	72.5	Confident	74 Å²	74	75.7 Å²	75.7	32%	0.322	41%	0.405	S	S	.	.			trans	-120	32	170.9	-79.8	-171.7	162	-167.1	0	111.4	R61 K79 L80 D82	R61-K63 PolarHBondContact O-N 2.97Å; K63-K79 CarbonylContact O-C 3.57Å; K63-K79 VanDerWaalsContact O-CA 3.31Å; K63-K79 WeakPolarHBondContact O-CA 3.3Å; K63-L80 HydrophobicContact CB-CB 4.5Å; K63-L80 WeakPolarHBondContact CD-O 3.35Å; K63-L80 PolarHBondContact O-N 3Å; K63-D82 IonicContact NZ-OD1 2.77Å; K63-D82 PolarHBondContact NZ-OD1 3.29Å; K63-D82 IonicContact NZ-OD2 3.77Å; K63-D82 PolarHBondContact NZ-OD2 3Å
64	V	86	Confident	73.4	Confident	40 Å²	40	76.7 Å²	76.7	24%	0.242	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	146	-179.2	-165.3	0	0	0	0	109.1	H77 I108	V64-H77 HydrophobicContact CG1-CB 3.82Å; V64-I108 HydrophobicContact CG1-CG2 4.38Å; V64-I108 HydrophobicContact CG2-CG2 4Å
65	V	89.6	Confident	74.7	Confident	0 Å²	0	76.2 Å²	76.2	0%	0	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	119.4	168.8	-169.2	0	0	0	0	107.4	F52 H77 M78 L80 A86 F661 S662 V663	F52-V65 HydrophobicContact CE2-CG1 3.74Å; F52-V65 HydrophobicContact CE2-CG2 4.23Å; F52-V65 HydrophobicContact CZ-CG1 3.85Å; V65-H77 WeakPolarHBondContact O-CA 3.47Å; V65-M78 HydrophobicContact CB-CB 3.83Å; V65-M78 HydrophobicContact CB-CG 4.23Å; V65-M78 HydrophobicContact CG2-CB 4.05Å; V65-M78 PolarHBondContact N-O 2.84Å; V65-M78 PolarHBondContact O-N 3.04Å; V65-L80 HydrophobicContact CG2-CB 4.21Å; V65-A86 HydrophobicContact CG2-CB 3.87Å; V65-F661 HydrophobicContact CG1-CB 4.01Å; V65-S662 CarbonylContact C-O 3.57Å; V65-S662 WeakPolarHBondContact CA-O 3.36Å; V65-S662 WeakPolarHBondContact CG1-O 3.37Å; V65-V663 HydrophobicContact CB-CG2 4.15Å; V65-V663 HydrophobicContact CG1-CG2 3.94Å; V65-V663 HydrophobicContact CG2-CG2 3.78Å
66	D	91.3	Very high	76.5	Confident	58 Å²	58	76 Å²	76	31%	0.31	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	146.6	-179.7	-45.5	-47.9	0	0	0	109.3	H77 F661 S662	D66-H77 IonicContact OD1-CD2 3.6Å; D66-F661 WeakPolarHBondContact O-CA 3.4Å; D66-S662 PolarHBondContact N-O 2.76Å; D66-S662 PolarHBondContact O-N 3.43Å
67	I	94.4	Very high	78.3	Confident	8 Å²	8	75.5 Å²	75.5	4%	0.041	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	119.7	-175.5	-48.4	-179.9	0	0	0	110	I69 V74 L76 M78 F88 V659 F661	I67-I69 HydrophobicContact CG2-CG1 4.13Å; I67-V74 PolarHBondContact O-N 3.19Å; I67-L76 WeakPolarHBondContact CD1-O 3.28Å; I67-L76 WeakPolarHBondContact CG1-O 3.43Å; I67-M78 HydrophobicContact CD1-CG 3.84Å; I67-M78 HydrophobicContact CG1-CG 4.33Å; I67-F88 HydrophobicContact CD1-CE1 3.7Å; I67-F88 HydrophobicContact CD1-CZ 3.99Å; I67-V659 HydrophobicContact CG2-CG2 3.81Å; I67-F661 HydrophobicContact CD1-CD1 4.44Å; I67-F661 HydrophobicContact CD1-CE1 4.16Å; I67-F661 HydrophobicContact CG1-CD1 4.04Å; I67-F661 HydrophobicContact CG1-CE1 4.19Å; I67-F661 HydrophobicContact CG2-CD1 4.37Å; I67-F661 HydrophobicContact CG2-CE1 4.12Å
68	E	95.1	Very high	80.6	Confident	48 Å²	48	71.8 Å²	71.8	22%	0.224	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	133.4	168.3	-58.6	169	175	0	0	108.6	E72 V659 T660 R672	E68-E72 CarbonylContact C-O 3.54Å; E68-E72 WeakPolarHBondContact CA-O 3.46Å; E68-V659 WeakPolarHBondContact O-CA 3.41Å; E68-T660 PolarHBondContact N-O 2.95Å; E68-T660 PolarHBondContact O-N 3.27Å; E68-R672 IonicContact OE1-CZ 3.67Å; E68-R672 IonicContact OE1-NH2 3.44Å; E68-R672 PolarHBondContact OE1-NH2 2.85Å; E68-R672 IonicContact OE2-CZ 3.7Å; E68-R672 IonicContact OE2-NH1 3.46Å; E68-R672 PolarHBondContact OE2-NH1 3.42Å; E68-R672 IonicContact OE2-NH2 2.77Å; E68-R672 PolarHBondContact OE2-NH2 3.39Å
69	I	95.6	Very high	82.6	Confident	8 Å²	8	69.6 Å²	69.6	4%	0.041	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	127	174.9	-63.9	-178.7	0	0	0	109.2	I67 G71 E72 V74 L650 L652 N657 D658 V659 I677	I67-I69 HydrophobicContact CG2-CG1 4.13Å; I69-G71 PolarHBondContact O-N 2.91Å; I69-E72 PolarHBondContact N-O 2.87Å; I69-E72 PolarHBondContact O-N 2.59Å; I69-V74 HydrophobicContact CB-CG2 4.12Å; I69-V74 HydrophobicContact CD1-CG2 3.97Å; I69-V74 HydrophobicContact CG1-CG2 3.91Å; I69-L650 HydrophobicContact CD1-CB 3.94Å; I69-L650 HydrophobicContact CD1-CD1 3.85Å; I69-L650 HydrophobicContact CD1-CD2 3.75Å; I69-L650 HydrophobicContact CD1-CG 4.03Å; I69-L652 HydrophobicContact CD1-CD2 4.45Å; I69-L652 HydrophobicContact CG2-CD2 4.15Å; I69-N657 HydrophobicContact CG2-CB 4.34Å; I69-D658 CarbonylContact C-O 3.49Å; I69-D658 WeakPolarHBondContact CA-O 3.28Å; I69-V659 HydrophobicContact CG1-CB 4.39Å; I69-V659 HydrophobicContact CG1-CG2 4.04Å; I69-I677 HydrophobicContact CD1-CD1 3.92Å; I69-I677 HydrophobicContact CG1-CD1 4.44Å
70	N	94.3	Very high	84.3	Confident	53 Å²	53	58.4 Å²	58.4	28%	0.283	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	52	24	-173.2	-60.1	-56.2	0	0	0	113.7	N657 D658	N70-N657 PolarHBondContact ND2-OD1 2.93Å; N70-N657 WeakPolarHBondContact OD1-CA 3.3Å; N70-D658 PolarHBondContact N-O 3.35Å; N70-D658 PolarHBondContact OD1-N 2.9Å
71	G	91.1	Very high	86	Confident	68 Å²	68	57.1 Å²	57.1	70%	0.701	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.1	-1.4	-174.2	0	0	0	0	0	115.9	I69	I69-G71 PolarHBondContact O-N 2.91Å
72	E	93.3	Very high	87.1	Confident	134 Å²	134	51.9 Å²	51.9	63%	0.626	30%	0.295	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.8	129.4	173.6	-67.6	179.3	-154.2	0	0	110.5	E68 I69	E68-E72 CarbonylContact C-O 3.54Å; E68-E72 WeakPolarHBondContact CA-O 3.46Å; I69-E72 PolarHBondContact N-O 2.87Å; I69-E72 PolarHBondContact O-N 2.59Å
73	A	90.6	Very high	87.7	Confident	89 Å²	89	51.9 Å²	51.9	74%	0.736	30%	0.297	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71	137.3	175.5	0	0	0	0	0	111.4
74	V	91.8	Very high	88	Confident	26 Å²	26	48.5 Å²	48.5	16%	0.158	28%	0.283	C	S	.	.			trans	-106.2	141.5	-176.8	-173.6	0	0	0	0	110.5	I67 I69 L76 L650	I67-V74 PolarHBondContact O-N 3.19Å; I69-V74 HydrophobicContact CB-CG2 4.12Å; I69-V74 HydrophobicContact CD1-CG2 3.97Å; I69-V74 HydrophobicContact CG1-CG2 3.91Å; V74-L76 HydrophobicContact CG1-CB 3.97Å; V74-L76 HydrophobicContact CG1-CD1 4.27Å; V74-L76 HydrophobicContact CG1-CG 4.18Å; V74-L76 PolarHBondContact O-N 3.1Å; V74-L650 HydrophobicContact CG1-CD2 3.79Å
75	D	88.3	Confident	87.9	Confident	147 Å²	147	49.9 Å²	49.9	79%	0.786	29%	0.287	S	S	*	.	S	Bend	trans	-76.1	51	171.3	-167	22.2	0	0	0	112.2	H77	D75-H77 IonicContact OD1-CE1 3.82Å
76	L	88.9	Confident	87.9	Confident	28 Å²	28	50 Å²	50	15%	0.147	29%	0.288	C	S	.	.			trans	-144.1	127.3	175	-75.5	176.3	0	0	0	108.4	I67 V74 L642 Q646 L650	I67-L76 WeakPolarHBondContact CD1-O 3.28Å; I67-L76 WeakPolarHBondContact CG1-O 3.43Å; V74-L76 HydrophobicContact CG1-CB 3.97Å; V74-L76 HydrophobicContact CG1-CD1 4.27Å; V74-L76 HydrophobicContact CG1-CG 4.18Å; V74-L76 PolarHBondContact O-N 3.1Å; L76-L642 HydrophobicContact CD1-CD1 4.41Å; L76-Q646 HydrophobicContact CD1-CB 4.08Å; L76-Q646 HydrophobicContact CD1-CG 4.45Å; L76-Q646 HydrophobicContact CD2-CG 4.25Å; L76-L650 HydrophobicContact CD1-CD2 3.71Å
77	H	88.6	Confident	87.8	Confident	73 Å²	73	48.1 Å²	48.1	34%	0.338	28%	0.277	S	S	.	.			trans	-125.3	140.2	-171.7	-56	79.5	0	0	0	109.7	V64 V65 D66 D75 I108	V64-H77 HydrophobicContact CG1-CB 3.82Å; V65-H77 WeakPolarHBondContact O-CA 3.47Å; D66-H77 IonicContact OD1-CD2 3.6Å; D75-H77 IonicContact OD1-CE1 3.82Å; H77-I108 HydrophobicContact CB-CD1 4.19Å; H77-I108 WeakPolarHBondContact O-CD1 3.47Å
78	M	91.1	Very high	87.7	Confident	0 Å²	0	48.1 Å²	48.1	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	167.6	168.4	-31.8	-179.9	74.6	0	0	110.4	F48 V50 V65 I67 A86 F88 F661	F48-M78 HydrophobicContact CB-CE 4.1Å; V50-M78 HydrophobicContact CB-CE 4.42Å; V50-M78 HydrophobicContact CB-SD 4.18Å; V50-M78 HydrophobicContact CG1-SD 4.47Å; V50-M78 HydrophobicContact CG2-CE 4.28Å; V50-M78 HydrophobicContact CG2-SD 4.04Å; V65-M78 HydrophobicContact CB-CB 3.83Å; V65-M78 HydrophobicContact CB-CG 4.23Å; V65-M78 HydrophobicContact CG2-CB 4.05Å; V65-M78 PolarHBondContact N-O 2.84Å; V65-M78 PolarHBondContact O-N 3.04Å; I67-M78 HydrophobicContact CD1-CG 3.84Å; I67-M78 HydrophobicContact CG1-CG 4.33Å; M78-A86 HydrophobicContact CB-CB 4.21Å; M78-A86 HydrophobicContact CE-CB 4.1Å; M78-A86 HydrophobicContact SD-CB 3.88Å; M78-F88 HydrophobicContact CB-CD1 4.5Å; M78-F88 HydrophobicContact CE-CD2 4.15Å; M78-F88 HydrophobicContact CE-CE1 4.48Å; M78-F88 HydrophobicContact CE-CE2 3.85Å; M78-F88 HydrophobicContact CE-CZ 4.02Å; M78-F88 HydrophobicContact CG-CD1 4.09Å; M78-F88 HydrophobicContact CG-CE1 3.71Å; M78-F88 HydrophobicContact CG-CZ 4.05Å; M78-F88 HydrophobicContact SD-CZ 4.41Å; M78-F661 HydrophobicContact SD-CD1 3.73Å; M78-F661 HydrophobicContact SD-CE1 3.81Å
79	K	88.1	Confident	87.3	Confident	21 Å²	21	47.2 Å²	47.2	9%	0.091	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	134.6	173.7	-175.5	167.9	178.4	167.5	0	110.7	K63 A86 F87 V89 T105 S106 P107 I108	K63-K79 CarbonylContact O-C 3.57Å; K63-K79 VanDerWaalsContact O-CA 3.31Å; K63-K79 WeakPolarHBondContact O-CA 3.3Å; K79-A86 WeakPolarHBondContact O-CA 3.49Å; K79-F87 HydrophobicContact CB-CD2 4.23Å; K79-F87 HydrophobicContact CB-CE2 3.81Å; K79-F87 HydrophobicContact CB-CZ 4.12Å; K79-F87 HydrophobicContact CD-CE2 3.95Å; K79-F87 HydrophobicContact CD-CZ 4.11Å; K79-F87 HydrophobicContact CG-CE2 4.02Å; K79-F87 HydrophobicContact CG-CZ 3.95Å; K79-F87 PolarHBondContact N-O 2.81Å; K79-F87 PolarHBondContact O-N 2.97Å; K79-V89 HydrophobicContact CB-CG2 3.87Å; K79-V89 HydrophobicContact CD-CG2 3.73Å; K79-V89 HydrophobicContact CG-CG2 4.48Å; K79-T105 PolarHBondContact NZ-OG1 2.92Å; K79-S106 VanDerWaalsContact NZ-C 3.28Å; K79-S106 PolarHBondContact NZ-O 2.9Å; K79-S106 PolarHBondContact NZ-OG 3.46Å; K79-P107 PolarHBondContact NZ-O 3.44Å; K79-I108 HydrophobicContact CB-CD1 4.46Å; K79-I108 HydrophobicContact CB-CG1 4.26Å; K79-I108 HydrophobicContact CD-CG1 4.47Å
80	L	86.2	Confident	86.6	Confident	3 Å²	3	50.8 Å²	50.8	2%	0.016	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	119.1	179.7	-168.9	64.8	0	0	0	111.7	F52 L58 K63 V65 G84 V663	F52-L80 HydrophobicContact CB-CD1 4.4Å; F52-L80 HydrophobicContact CD2-CD1 3.77Å; F52-L80 HydrophobicContact CG-CD1 4.45Å; L58-L80 HydrophobicContact CD1-CD2 3.76Å; L58-L80 HydrophobicContact CD2-CD2 4.31Å; K63-L80 HydrophobicContact CB-CB 4.5Å; K63-L80 WeakPolarHBondContact CD-O 3.35Å; K63-L80 PolarHBondContact O-N 3Å; V65-L80 HydrophobicContact CG2-CB 4.21Å; L80-G84 WeakPolarHBondContact CD1-O 3.5Å; L80-V663 HydrophobicContact CD2-CG1 4.09Å; L80-V663 HydrophobicContact CD2-CG2 4.44Å
81	G	79.1	Confident	85.9	Confident	9 Å²	9	54.3 Å²	54.3	9%	0.093	31%	0.306	C	S	.	.			trans	-79.5	159.8	173.1	0	0	0	0	0	113.3	N83 G84 E85	G81-N83 PolarHBondContact O-N 2.88Å; G81-N83 VanDerWaalsContact O-N 3.07Å; G81-G84 PolarHBondContact O-N 3.38Å; G81-E85 PolarHBondContact N-O 3.26Å
82	D	73.6	Confident	84.8	Confident	125 Å²	125	52.7 Å²	52.7	67%	0.668	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-10.7	-176.3	-59.4	-84	0	0	0	114.4	K63	K63-D82 IonicContact NZ-OD1 2.77Å; K63-D82 PolarHBondContact NZ-OD1 3.29Å; K63-D82 IonicContact NZ-OD2 3.77Å; K63-D82 PolarHBondContact NZ-OD2 3Å
83	N	72.4	Confident	83.1	Confident	77 Å²	77	52.7 Å²	52.7	41%	0.412	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.3	-4.3	171.3	-64.3	-42.3	0	0	0	113.7	R51 G81 E85	R51-N83 PolarHBondContact NE-O 3.36Å; R51-N83 PolarHBondContact NH2-O 3.22Å; G81-N83 PolarHBondContact O-N 2.88Å; G81-N83 VanDerWaalsContact O-N 3.07Å; N83-E85 VanDerWaalsContact C-N 3.34Å; N83-E85 HydrophobicContact CB-CG 4.24Å; N83-E85 WeakPolarHBondContact CB-OE2 3.35Å; N83-E85 PolarHBondContact ND2-OE1 2.92Å; N83-E85 PolarHBondContact ND2-OE2 2.96Å
84	G	79.2	Confident	81.4	Confident	3 Å²	3	54.2 Å²	54.2	3%	0.031	28%	0.281	C	S	.	.	S	Bend	trans	85	-0.8	-171	0	0	0	0	0	114.6	R51 F52 L80 G81	R51-G84 WeakPolarHBondContact CA-O 3.44Å; R51-G84 WeakPolarHBondContact CG-O 3.43Å; F52-G84 PolarHBondContact N-O 3.41Å; F52-G84 WeakPolarHBondContact O-CA 3.39Å; L80-G84 WeakPolarHBondContact CD1-O 3.5Å; G81-G84 PolarHBondContact O-N 3.38Å
85	E	83.6	Confident	79.6	Confident	70 Å²	70	60 Å²	60	33%	0.327	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	137.3	175	65.7	-141.1	172.6	0	0	111.6	G81 N83	G81-E85 PolarHBondContact N-O 3.26Å; N83-E85 VanDerWaalsContact C-N 3.34Å; N83-E85 HydrophobicContact CB-CG 4.24Å; N83-E85 WeakPolarHBondContact CB-OE2 3.35Å; N83-E85 PolarHBondContact ND2-OE1 2.92Å; N83-E85 PolarHBondContact ND2-OE2 2.96Å
86	A	89.1	Confident	77.6	Confident	3 Å²	3	62.3 Å²	62.3	3%	0.025	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	141.7	175.2	0	0	0	0	0	111.2	V50 F52 V65 M78 K79	V50-A86 HydrophobicContact CB-CB 4.09Å; V50-A86 HydrophobicContact CG1-CB 4.12Å; V50-A86 PolarHBondContact O-N 3.14Å; F52-A86 HydrophobicContact CE2-CB 4.46Å; V65-A86 HydrophobicContact CG2-CB 3.87Å; M78-A86 HydrophobicContact CB-CB 4.21Å; M78-A86 HydrophobicContact CE-CB 4.1Å; M78-A86 HydrophobicContact SD-CB 3.88Å; K79-A86 WeakPolarHBondContact O-CA 3.49Å
87	F	90.3	Very high	76	Confident	17 Å²	17	66 Å²	66	8%	0.075	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	150.5	-179.5	55.4	-94.2	0	0	0	111.4	K79 V89 T105 K638 L640	K79-F87 HydrophobicContact CB-CD2 4.23Å; K79-F87 HydrophobicContact CB-CE2 3.81Å; K79-F87 HydrophobicContact CB-CZ 4.12Å; K79-F87 HydrophobicContact CD-CE2 3.95Å; K79-F87 HydrophobicContact CD-CZ 4.11Å; K79-F87 HydrophobicContact CG-CE2 4.02Å; K79-F87 HydrophobicContact CG-CZ 3.95Å; K79-F87 PolarHBondContact N-O 2.81Å; K79-F87 PolarHBondContact O-N 2.97Å; F87-V89 HydrophobicContact CD2-CG2 4.4Å; F87-V89 HydrophobicContact CE2-CG2 4.13Å; F87-T105 HydrophobicContact CE2-CG2 4.41Å; F87-K638 HydrophobicContact CD1-CD 4.4Å; F87-K638 HydrophobicContact CD2-CB 3.98Å; F87-K638 HydrophobicContact CD2-CD 4.19Å; F87-K638 HydrophobicContact CD2-CG 3.64Å; F87-K638 HydrophobicContact CE1-CD 4.3Å; F87-K638 HydrophobicContact CE2-CB 4.47Å; F87-K638 HydrophobicContact CE2-CD 4.1Å; F87-K638 HydrophobicContact CE2-CG 3.64Å; F87-K638 HydrophobicContact CG-CB 4.35Å; F87-K638 HydrophobicContact CG-CD 4.35Å; F87-K638 HydrophobicContact CG-CG 4.19Å; F87-K638 HydrophobicContact CZ-CD 4.16Å; F87-K638 HydrophobicContact CZ-CG 4.2Å; F87-L640 HydrophobicContact CB-CD2 3.79Å
88	F	90.8	Very high	74.5	Confident	9 Å²	9	69.4 Å²	69.4	4%	0.039	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	151.6	170.7	-61	-75.3	0	0	0	110.7	F48 I67 M78 T639 L642	F48-F88 HydrophobicContact CB-CE2 3.86Å; F48-F88 HydrophobicContact CD1-CE2 4.04Å; F48-F88 HydrophobicContact CD1-CZ 4.09Å; F48-F88 AromaticContact CD2-CE2 3.93Å; F48-F88 HydrophobicContact CD2-CE2 3.93Å; F48-F88 HydrophobicContact CE1-CZ 4.39Å; F48-F88 HydrophobicContact CE2-CE2 4.48Å; F48-F88 AromaticContact CG-CE2 3.69Å; F48-F88 HydrophobicContact CG-CE2 3.69Å; F48-F88 HydrophobicContact CG-CZ 4.21Å; I67-F88 HydrophobicContact CD1-CE1 3.7Å; I67-F88 HydrophobicContact CD1-CZ 3.99Å; M78-F88 HydrophobicContact CB-CD1 4.5Å; M78-F88 HydrophobicContact CE-CD2 4.15Å; M78-F88 HydrophobicContact CE-CE1 4.48Å; M78-F88 HydrophobicContact CE-CE2 3.85Å; M78-F88 HydrophobicContact CE-CZ 4.02Å; M78-F88 HydrophobicContact CG-CD1 4.09Å; M78-F88 HydrophobicContact CG-CE1 3.71Å; M78-F88 HydrophobicContact CG-CZ 4.05Å; M78-F88 HydrophobicContact SD-CZ 4.41Å; F88-T639 HydrophobicContact CB-CG2 3.79Å; F88-T639 PolarHBondContact N-O 3.35Å; F88-T639 PolarHBondContact O-N 2.95Å; F88-L642 HydrophobicContact CD1-CD2 3.83Å; F88-L642 HydrophobicContact CD2-CD2 3.82Å; F88-L642 HydrophobicContact CD2-CG 4.22Å; F88-L642 HydrophobicContact CE1-CD2 3.73Å; F88-L642 HydrophobicContact CE1-CG 4.44Å; F88-L642 HydrophobicContact CE2-CD1 4.31Å; F88-L642 HydrophobicContact CE2-CD2 3.72Å; F88-L642 HydrophobicContact CE2-CG 3.76Å; F88-L642 HydrophobicContact CG-CD2 3.88Å; F88-L642 HydrophobicContact CZ-CD1 4.02Å; F88-L642 HydrophobicContact CZ-CD2 3.68Å; F88-L642 HydrophobicContact CZ-CG 3.9Å
89	V	86.6	Confident	72.8	Confident	29 Å²	29	71 Å²	71	18%	0.176	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	118.6	174.1	-179.7	0	0	0	0	108.1	K79 F87 T105 I108 Y636	K79-V89 HydrophobicContact CB-CG2 3.87Å; K79-V89 HydrophobicContact CD-CG2 3.73Å; K79-V89 HydrophobicContact CG-CG2 4.48Å; F87-V89 HydrophobicContact CD2-CG2 4.4Å; F87-V89 HydrophobicContact CE2-CG2 4.13Å; V89-T105 HydrophobicContact CG1-CG2 3.95Å; V89-T105 HydrophobicContact CG2-CG2 4.18Å; V89-I108 HydrophobicContact CB-CG1 4.31Å; V89-I108 HydrophobicContact CG2-CD1 4.33Å; V89-I108 HydrophobicContact CG2-CG1 3.91Å; V89-Y636 HydrophobicContact CG1-CD1 3.76Å; V89-Y636 HydrophobicContact CG1-CG 4.36Å
90	Q	81.5	Confident	71.8	Confident	83 Å²	83	72.8 Å²	72.8	39%	0.388	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	126.9	172.6	180	174.4	9.8	0	0	109	M92 Y636 K637 T639	Q90-M92 HydrophobicContact CG-CG 4.49Å; Q90-Y636 CarbonylContact O-C 3.51Å; Q90-Y636 WeakPolarHBondContact O-CA 3.38Å; Q90-K637 PolarHBondContact N-O 3.37Å; Q90-K637 PolarHBondContact O-N 3.44Å; Q90-T639 HydrophobicContact CB-CG2 4.13Å
91	E	79.3	Confident	70.3	Confident	126 Å²	126	82.6 Å²	82.6	59%	0.589	42%	0.419	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.7	143.3	169.4	-47.7	-160.2	166.8	0	0	109.4	V634 Y636	E91-V634 HydrophobicContact CB-CG1 4.03Å; E91-Y636 HydrophobicContact CB-CD1 4.44Å; E91-Y636 HydrophobicContact CB-CE1 4.41Å; E91-Y636 HydrophobicContact CG-CD1 3.86Å; E91-Y636 HydrophobicContact CG-CE1 3.66Å; E91-Y636 WeakPolarHBondContact OE1-CE1 3.4Å
92	M	67.8	Low	69.2	Low	35 Å²	35	88.5 Å²	88.5	17%	0.172	44%	0.444	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	117.9	178.8	-74.9	-174.8	64.6	0	0	110.1	Q90 E97 I99 S635 K637	Q90-M92 HydrophobicContact CG-CG 4.49Å; M92-E97 HydrophobicContact CE-CB 3.8Å; M92-I99 HydrophobicContact SD-CD1 3.91Å; M92-I99 HydrophobicContact SD-CG1 4.24Å; M92-S635 WeakPolarHBondContact CB-OG 3.44Å; M92-S635 PolarHBondContact N-O 2.89Å; M92-S635 PolarHBondContact O-N 3.38Å; M92-S635 PolarHBondContact O-OG 2.87Å; M92-K637 HydrophobicContact SD-CB 3.85Å; M92-K637 HydrophobicContact SD-CD 3.36Å; M92-K637 WeakPolarHBondContact SD-CD 3.49Å; M92-K637 HydrophobicContact SD-CG 4.27Å
93	D	58.4	Low	68.7	Low	133 Å²	133	85.1 Å²	85.1	71%	0.711	43%	0.426	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-59.3	145	164.3	-64.8	-54.2	0	0	0	109.9	D95	D93-D95 PolarHBondContact O-N 3.29Å
94	N	54.7	Low	68.4	Low	122 Å²	122	83.8 Å²	83.8	65%	0.652	42%	0.422	S	S	*	.	S	Bend	trans	-79.5	23.2	-159.8	-167.5	73.5	0	0	0	115.1	Q96 G633	N94-Q96 PolarHBondContact O-N 2.85Å; N94-G633 WeakPolarHBondContact CB-O 2.85Å
95	D	53.9	Low	68	Low	148 Å²	148	85.1 Å²	85.1	79%	0.791	43%	0.43	S	S	*	.	S	Bend	trans	-98.1	93.2	-175.8	-72.3	-24.6	0	0	0	111.5	D93	D93-D95 PolarHBondContact O-N 3.29Å
96	Q	46.8	Very low	67.3	Low	194 Å²	194	85.2 Å²	85.2	91%	0.907	44%	0.438	S	S	*	.	S	Bend	trans	72.6	44.7	160.6	-52.4	-175.9	3.2	0	0	118.9	N94	N94-Q96 PolarHBondContact O-N 2.85Å
97	E	54.1	Low	66.3	Low	107 Å²	107	87.2 Å²	87.2	50%	0.5	45%	0.451	S	S	.	.			trans	-139.4	125.3	152.8	-146.9	-166.2	-132.4	0	0	112.5	M92 I99 K637	M92-E97 HydrophobicContact CE-CB 3.8Å; E97-I99 PolarHBondContact O-N 3.47Å; E97-I99 VanDerWaalsContact O-N 3.15Å; E97-K637 IonicContact OE1-NZ 3.22Å; E97-K637 PolarHBondContact OE1-NZ 3.2Å; E97-K637 IonicContact OE2-NZ 2.55Å; E97-K637 PolarHBondContact OE2-NZ 2.87Å
98	V	58.3	Low	65.2	Low	143 Å²	143	88.9 Å²	88.9	87%	0.867	46%	0.46	S	S	*	.			trans	-82.5	91.3	175.8	-179.4	0	0	0	0	108.8	P100	V98-P100 VanDerWaalsContact O-CD 3.28Å; V98-P100 WeakPolarHBondContact O-CD 3.42Å
99	I	56.1	Low	63.3	Low	33 Å²	33	93.4 Å²	93.4	17%	0.169	48%	0.484	C	S	.	.			trans	-58.6	119.8	-177.9	-58.6	174.5	0	0	0	110.3	M92 E97 Y101 L103 S635 K637	M92-I99 HydrophobicContact SD-CD1 3.91Å; M92-I99 HydrophobicContact SD-CG1 4.24Å; E97-I99 PolarHBondContact O-N 3.47Å; E97-I99 VanDerWaalsContact O-N 3.15Å; I99-Y101 PolarHBondContact O-N 2.82Å; I99-L103 HydrophobicContact CG2-CB 4.12Å; I99-S635 WeakPolarHBondContact CD1-OG 3.46Å; I99-K637 HydrophobicContact CD1-CB 4.21Å; I99-K637 HydrophobicContact CG2-CG 4.38Å
100	P	65.9	Low	61.7	Low	59 Å²	59	95.7 Å²	95.7	38%	0.383	50%	0.501	S	S	.	.			trans	-59.8	135.8	175.9	-25.5	35.6	0	0	0	111.6	V98 H102 L103 S104	V98-P100 VanDerWaalsContact O-CD 3.28Å; V98-P100 WeakPolarHBondContact O-CD 3.42Å; P100-H102 PolarHBondContact O-N 3Å; P100-L103 WeakPolarHBondContact O-CA 3.29Å; P100-L103 PolarHBondContact O-N 2.81Å; P100-S104 PolarHBondContact O-N 3.3Å
101	Y	54	Low	60	Low	210 Å²	210	99.7 Å²	99.7	82%	0.824	52%	0.52	S	S	*	.	G	3₁₀ helix	trans	-49.4	-38	-172.1	179.3	-103.5	0	0	0	114.3	I99 L103 S104	I99-Y101 PolarHBondContact O-N 2.82Å; Y101-L103 VanDerWaalsContact C-N 3.29Å; Y101-L103 PolarHBondContact O-N 3.06Å; Y101-S104 WeakPolarHBondContact O-CB 3.38Å; Y101-S104 PolarHBondContact O-N 2.59Å; Y101-S104 VanDerWaalsContact O-N 3.12Å; Y101-S104 PolarHBondContact O-OG 2.87Å
102	H	57	Low	58.4	Low	133 Å²	133	96 Å²	96	62%	0.616	52%	0.516	S	S	*	.	G	3₁₀ helix	trans	-65.9	-26.9	179	63.8	-93.7	0	0	0	113.9	P100 K638	P100-H102 PolarHBondContact O-N 3Å; H102-K638 PolarHBondContact O-NZ 2.94Å
103	L	63.8	Low	57.6	Low	54 Å²	54	97.6 Å²	97.6	28%	0.283	53%	0.528	S	S	.	.	G	3₁₀ helix	trans	-88.9	-6.9	173.9	-60.4	-177.1	0	0	0	113.6	I99 P100 Y101 K637 K638	I99-L103 HydrophobicContact CG2-CB 4.12Å; P100-L103 WeakPolarHBondContact O-CA 3.29Å; P100-L103 PolarHBondContact O-N 2.81Å; Y101-L103 VanDerWaalsContact C-N 3.29Å; Y101-L103 PolarHBondContact O-N 3.06Å; L103-K637 HydrophobicContact CB-CG 4.43Å; L103-K637 CarbonylContact O-C 3.54Å; L103-K637 WeakPolarHBondContact O-CA 3.46Å; L103-K638 WeakPolarHBondContact O-CG 3.36Å; L103-K638 PolarHBondContact O-N 3.07Å
104	S	64.3	Low	57.1	Low	49 Å²	49	93.1 Å²	93.1	34%	0.343	51%	0.509	S	S	.	.	B	Isolated β-bridge	trans	-69.3	144.8	176.1	72.5	0	0	0	0	112	P100 Y101 K638	P100-S104 PolarHBondContact O-N 3.3Å; Y101-S104 WeakPolarHBondContact O-CB 3.38Å; Y101-S104 PolarHBondContact O-N 2.59Å; Y101-S104 VanDerWaalsContact O-N 3.12Å; Y101-S104 PolarHBondContact O-OG 2.87Å; S104-K638 WeakPolarHBondContact O-CE 3.38Å; S104-K638 PolarHBondContact O-NZ 2.93Å
105	T	70.9	Confident	56.9	Low	30 Å²	30	92.9 Å²	92.9	18%	0.184	51%	0.507	C	S	.	.			trans	-148	171.4	175.6	176.2	0	0	0	0	110.4	K79 F87 V89 Y636 K638	K79-T105 PolarHBondContact NZ-OG1 2.92Å; F87-T105 HydrophobicContact CE2-CG2 4.41Å; V89-T105 HydrophobicContact CG1-CG2 3.95Å; V89-T105 HydrophobicContact CG2-CG2 4.18Å; T105-Y636 PolarHBondContact N-O 2.85Å; T105-Y636 VanDerWaalsContact N-O 3.11Å; T105-Y636 WeakPolarHBondContact O-CB 3.41Å; T105-K638 HydrophobicContact CG2-CG 3.89Å
106	S	69.4	Low	56.6	Low	72 Å²	72	91.9 Å²	91.9	50%	0.503	50%	0.499	S	S	.	.	P	Polyproline II helix	trans	-93.2	167.3	161	49.8	0	0	0	0	111	K79	K79-S106 VanDerWaalsContact NZ-C 3.28Å; K79-S106 PolarHBondContact NZ-O 2.9Å; K79-S106 PolarHBondContact NZ-OG 3.46Å
107	P	68.8	Low	56.7	Low	45 Å²	45	86.7 Å²	86.7	29%	0.292	48%	0.475	S	S	.	.	P	Polyproline II helix	trans	-56.8	171.2	171.4	17.5	-31	0	0	0	114.3	K79 Y636	K79-P107 PolarHBondContact NZ-O 3.44Å; P107-Y636 HydrophobicContact CB-CD1 4.16Å; P107-Y636 HydrophobicContact CB-CE1 3.59Å; P107-Y636 HydrophobicContact CG-CE1 4.08Å; P107-Y636 HydrophobicContact CG-CE2 4.32Å
108	I	67.5	Low	56.6	Low	52 Å²	52	84.9 Å²	84.9	27%	0.267	47%	0.471	S	S	.	.	P	Polyproline II helix	trans	-83.5	124.5	163.6	-59	-178.7	0	0	0	107.5	V64 H77 K79 V89 S110	V64-I108 HydrophobicContact CG1-CG2 4.38Å; V64-I108 HydrophobicContact CG2-CG2 4Å; H77-I108 HydrophobicContact CB-CD1 4.19Å; H77-I108 WeakPolarHBondContact O-CD1 3.47Å; K79-I108 HydrophobicContact CB-CD1 4.46Å; K79-I108 HydrophobicContact CB-CG1 4.26Å; K79-I108 HydrophobicContact CD-CG1 4.47Å; V89-I108 HydrophobicContact CB-CG1 4.31Å; V89-I108 HydrophobicContact CG2-CD1 4.33Å; V89-I108 HydrophobicContact CG2-CG1 3.91Å; I108-S110 PolarHBondContact O-N 2.7Å
109	L	50.6	Low	56.1	Low	104 Å²	104	83.2 Å²	83.2	55%	0.545	45%	0.454	S	S	.	.			trans	-80.2	87.2	-178.4	-72.6	169.8	0	0	0	110.7
110	S	53.4	Low	55.8	Low	78 Å²	78	86 Å²	86	55%	0.545	47%	0.469	S	S	.	.			trans	-63.9	146	165.1	171.5	0	0	0	0	110.6	I108 G112 T113 A114	I108-S110 PolarHBondContact O-N 2.7Å; S110-G112 PolarHBondContact O-N 2.84Å; S110-G112 VanDerWaalsContact O-N 3.13Å; S110-T113 PolarHBondContact N-OG1 3.19Å; S110-T113 WeakPolarHBondContact O-CB 3.27Å; S110-T113 PolarHBondContact O-N 2.75Å; S110-T113 PolarHBondContact O-OG1 2.97Å; S110-A114 PolarHBondContact O-N 3.17Å
111	E	44.7	Very low	54.9	Low	167 Å²	167	89 Å²	89	78%	0.78	48%	0.476	S	S	*	.	H	α-helix	trans	-50.9	-40.5	-177.4	-74.1	-163.3	110.9	0	0	113.1	T113 A114 L115	E111-T113 VanDerWaalsContact C-N 3.28Å; E111-T113 PolarHBondContact O-N 3.32Å; E111-A114 PolarHBondContact O-N 2.94Å; E111-L115 WeakPolarHBondContact O-CG 3.47Å; E111-L115 PolarHBondContact O-N 3.17Å
112	G	46.3	Very low	54.7	Low	48 Å²	48	86.8 Å²	86.8	50%	0.495	47%	0.466	S	S	.	.	H	α-helix	trans	-59.1	-37.3	177.2	0	0	0	0	0	113.2	S110 M116	S110-G112 PolarHBondContact O-N 2.84Å; S110-G112 VanDerWaalsContact O-N 3.13Å; G112-M116 PolarHBondContact O-N 3.43Å
113	T	51	Low	54.1	Low	69 Å²	69	84.8 Å²	84.8	42%	0.423	46%	0.46	S	S	.	.	H	α-helix	trans	-71.1	-37.9	177.3	68.9	0	0	0	0	111.8	S110 E111 M116 E117	S110-T113 PolarHBondContact N-OG1 3.19Å; S110-T113 WeakPolarHBondContact O-CB 3.27Å; S110-T113 PolarHBondContact O-N 2.75Å; S110-T113 PolarHBondContact O-OG1 2.97Å; E111-T113 VanDerWaalsContact C-N 3.28Å; E111-T113 PolarHBondContact O-N 3.32Å; T113-M116 PolarHBondContact O-N 3.48Å; T113-E117 WeakPolarHBondContact O-CB 3.39Å; T113-E117 PolarHBondContact O-N 2.71Å
114	A	47.1	Very low	53.2	Low	39 Å²	39	85.4 Å²	85.4	32%	0.322	47%	0.469	S	S	.	.	H	α-helix	trans	-68.3	-35.6	176.1	0	0	0	0	0	112.4	S110 E111 T118	S110-A114 PolarHBondContact O-N 3.17Å; E111-A114 PolarHBondContact O-N 2.94Å; A114-T118 WeakPolarHBondContact O-CB 3.4Å; A114-T118 WeakPolarHBondContact O-CG2 3.41Å; A114-T118 PolarHBondContact O-N 2.9Å; A114-T118 PolarHBondContact O-OG1 3.18Å
115	L	50.2	Low	52.4	Low	117 Å²	117	88.3 Å²	88.3	61%	0.613	48%	0.479	S	S	*	.	H	α-helix	trans	-65	-43.5	170.7	-69.8	172	0	0	0	111.3	E111 T118 Q119	E111-L115 WeakPolarHBondContact O-CG 3.47Å; E111-L115 PolarHBondContact O-N 3.17Å; L115-T118 WeakPolarHBondContact CA-OG1 3.35Å; L115-T118 PolarHBondContact O-N 3.27Å; L115-T118 PolarHBondContact O-OG1 2.83Å; L115-T118 VanDerWaalsContact O-OG1 3.06Å; L115-Q119 VanDerWaalsContact O-CG 3.31Å; L115-Q119 WeakPolarHBondContact O-CG 3.36Å; L115-Q119 PolarHBondContact O-N 3.16Å
116	M	47.8	Very low	51.3	Low	127 Å²	127	91.7 Å²	91.7	63%	0.626	50%	0.496	S	S	*	.	H	α-helix	trans	-64.1	-43.3	176	-172.6	170.6	174.5	0	0	112.4	G112 T113 T118 Q119 L120	G112-M116 PolarHBondContact O-N 3.43Å; T113-M116 PolarHBondContact O-N 3.48Å; M116-T118 PolarHBondContact O-N 2.82Å; M116-Q119 PolarHBondContact O-N 3.06Å; M116-L120 HydrophobicContact CE-CD1 4.41Å; M116-L120 HydrophobicContact CG-CD1 4.11Å; M116-L120 WeakPolarHBondContact O-CB 3.39Å; M116-L120 WeakPolarHBondContact O-CG 3.38Å; M116-L120 PolarHBondContact O-N 3.26Å
117	E	50.2	Low	50	Low	84 Å²	84	98.1 Å²	98.1	39%	0.393	51%	0.51	S	S	.	.	H	α-helix	trans	-64.7	-38.2	178.1	-158.7	-158	168.3	0	0	112.1	T113 L120 K121	T113-E117 WeakPolarHBondContact O-CB 3.39Å; T113-E117 PolarHBondContact O-N 2.71Å; E117-L120 PolarHBondContact O-N 2.98Å; E117-K121 HydrophobicContact CG-CD 4.43Å; E117-K121 WeakPolarHBondContact O-CB 3.43Å; E117-K121 WeakPolarHBondContact O-CG 3.44Å; E117-K121 PolarHBondContact O-N 3.1Å; E117-K121 VanDerWaalsContact OE1-CE 3.28Å; E117-K121 WeakPolarHBondContact OE1-CE 3.38Å; E117-K121 IonicContact OE1-NZ 2.59Å; E117-K121 PolarHBondContact OE1-NZ 2.86Å
118	T	51	Low	48.8	Very low	70 Å²	70	103 Å²	103	43%	0.429	53%	0.533	S	S	.	.	H	α-helix	trans	-73	-28.9	177.1	49.9	0	0	0	0	113.3	A114 L115 M116 R122	A114-T118 WeakPolarHBondContact O-CB 3.4Å; A114-T118 WeakPolarHBondContact O-CG2 3.41Å; A114-T118 PolarHBondContact O-N 2.9Å; A114-T118 PolarHBondContact O-OG1 3.18Å; L115-T118 WeakPolarHBondContact CA-OG1 3.35Å; L115-T118 PolarHBondContact O-N 3.27Å; L115-T118 PolarHBondContact O-OG1 2.83Å; L115-T118 VanDerWaalsContact O-OG1 3.06Å; M116-T118 PolarHBondContact O-N 2.82Å; T118-R122 PolarHBondContact O-N 2.88Å
119	Q	48.7	Very low	47.6	Very low	108 Å²	108	110.4 Å²	110.4	51%	0.505	56%	0.557	S	S	.	*	H	α-helix	trans	-70.7	-44	168.4	-66.7	-69.5	14.1	0	0	111.8	L115 M116 K121 R122 N123	L115-Q119 VanDerWaalsContact O-CG 3.31Å; L115-Q119 WeakPolarHBondContact O-CG 3.36Å; L115-Q119 PolarHBondContact O-N 3.16Å; M116-Q119 PolarHBondContact O-N 3.06Å; Q119-K121 VanDerWaalsContact C-N 3.31Å; Q119-K121 PolarHBondContact O-N 2.82Å; Q119-R122 WeakPolarHBondContact O-CB 3.44Å; Q119-R122 PolarHBondContact O-N 3.19Å; Q119-N123 VanDerWaalsContact O-CG 3.27Å; Q119-N123 PolarHBondContact O-N 2.98Å; Q119-N123 PolarHBondContact O-ND2 2.85Å
120	L	49.3	Very low	46.9	Very low	90 Å²	90	112.2 Å²	112.2	47%	0.471	57%	0.567	S	S	.	*	H	α-helix	trans	-60	-40.1	175.2	-75.7	165	0	0	0	112	M116 E117 N123 S124	M116-L120 HydrophobicContact CE-CD1 4.41Å; M116-L120 HydrophobicContact CG-CD1 4.11Å; M116-L120 WeakPolarHBondContact O-CB 3.39Å; M116-L120 WeakPolarHBondContact O-CG 3.38Å; M116-L120 PolarHBondContact O-N 3.26Å; E117-L120 PolarHBondContact O-N 2.98Å; L120-N123 PolarHBondContact O-N 3.29Å; L120-S124 WeakPolarHBondContact O-CB 3.31Å; L120-S124 PolarHBondContact O-N 2.87Å
121	K	47.4	Very low	46.2	Very low	123 Å²	123	116 Å²	116	54%	0.535	58%	0.58	S	S	.	*	H	α-helix	trans	-68	-31.7	175.5	-79.6	170.9	170	169.2	0	113.7	E117 Q119 I125	E117-K121 HydrophobicContact CG-CD 4.43Å; E117-K121 WeakPolarHBondContact O-CB 3.43Å; E117-K121 WeakPolarHBondContact O-CG 3.44Å; E117-K121 PolarHBondContact O-N 3.1Å; E117-K121 VanDerWaalsContact OE1-CE 3.28Å; E117-K121 WeakPolarHBondContact OE1-CE 3.38Å; E117-K121 IonicContact OE1-NZ 2.59Å; E117-K121 PolarHBondContact OE1-NZ 2.86Å; Q119-K121 VanDerWaalsContact C-N 3.31Å; Q119-K121 PolarHBondContact O-N 2.82Å; K121-I125 PolarHBondContact O-N 3.16Å
122	R	50	Low	45.5	Very low	164 Å²	164	115.8 Å²	115.8	62%	0.619	58%	0.584	S	S	*	*	H	α-helix	trans	-64.1	-54.7	167.1	-88.1	-173.6	163.4	96.9	-2.8	111.2	T118 Q119 S124 I125 D126	T118-R122 PolarHBondContact O-N 2.88Å; Q119-R122 WeakPolarHBondContact O-CB 3.44Å; Q119-R122 PolarHBondContact O-N 3.19Å; R122-S124 PolarHBondContact O-N 3Å; R122-S124 VanDerWaalsContact O-N 3.14Å; R122-I125 WeakPolarHBondContact O-CB 3.42Å; R122-I125 PolarHBondContact O-N 2.83Å; R122-D126 PolarHBondContact O-N 3.02Å
123	N	44.8	Very low	44.8	Very low	91 Å²	91	119.4 Å²	119.4	49%	0.487	60%	0.602	S	S	.	*	H	α-helix	trans	-61.1	-27.3	-176.4	-65	-19	0	0	0	113.3	Q119 L120 R127	Q119-N123 VanDerWaalsContact O-CG 3.27Å; Q119-N123 PolarHBondContact O-N 2.98Å; Q119-N123 PolarHBondContact O-ND2 2.85Å; L120-N123 PolarHBondContact O-N 3.29Å; N123-R127 WeakPolarHBondContact O-CG 3.47Å; N123-R127 PolarHBondContact O-N 2.88Å
124	S	43	Very low	43.7	Very low	67 Å²	67	123.5 Å²	123.5	47%	0.469	62%	0.622	S	S	.	*	H	α-helix	trans	-70.6	-38.7	173.4	-168.8	0	0	0	0	113	L120 R122 R127 L128	L120-S124 WeakPolarHBondContact O-CB 3.31Å; L120-S124 PolarHBondContact O-N 2.87Å; R122-S124 PolarHBondContact O-N 3Å; R122-S124 VanDerWaalsContact O-N 3.14Å; S124-R127 PolarHBondContact O-N 2.85Å; S124-L128 PolarHBondContact O-N 2.81Å
125	I	49.3	Very low	43.1	Very low	110 Å²	110	127.4 Å²	127.4	56%	0.564	64%	0.641	S	S	*	*	H	α-helix	trans	-66.3	-40.3	178.1	-78.7	172.4	0	0	0	111.5	K121 R122 R127 L128	K121-I125 PolarHBondContact O-N 3.16Å; R122-I125 WeakPolarHBondContact O-CB 3.42Å; R122-I125 PolarHBondContact O-N 2.83Å; I125-R127 VanDerWaalsContact C-N 3.35Å; I125-L128 PolarHBondContact O-N 2.69Å
126	D	45.8	Very low	43	Very low	101 Å²	101	126.9 Å²	126.9	54%	0.54	65%	0.645	S	S	.	*	H	α-helix	trans	-72.9	-27	179.6	-66.8	-41.5	0	0	0	112.8	R122	R122-D126 PolarHBondContact O-N 3.02Å
127	R	44	Very low	42.1	Very low	207 Å²	207	125.8 Å²	125.8	78%	0.781	65%	0.65	S	S	*	*	H	α-helix	trans	-70.6	-32.4	172.2	-77.8	-176.7	176.2	-160.9	-0.8	113.4	N123 S124 I125 R129	N123-R127 WeakPolarHBondContact O-CG 3.47Å; N123-R127 PolarHBondContact O-N 2.88Å; S124-R127 PolarHBondContact O-N 2.85Å; I125-R127 VanDerWaalsContact C-N 3.35Å; R127-R129 PolarHBondContact O-N 2.77Å
128	L	42.4	Very low	41.1	Very low	148 Å²	148	131 Å²	131	78%	0.775	67%	0.674	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.1	1.9	178.3	-77.9	168.2	0	0	0	114.3	S124 I125	S124-L128 PolarHBondContact O-N 2.81Å; I125-L128 PolarHBondContact O-N 2.69Å
129	R	41.8	Very low	40.1	Very low	207 Å²	207	134 Å²	134	78%	0.781	69%	0.692	S	S	*	*	T	Hydrogen-bonded Turn	trans	-112.7	5.3	-174.6	-138.4	177	-164.9	163.4	4.6	115	R127	R127-R129 PolarHBondContact O-N 2.77Å
130	N	36.8	Very low	40	Very low	142 Å²	142	134.1 Å²	134.1	76%	0.759	70%	0.702	S	S	*	*	S	Bend	trans	-134.7	16.1	-165.6	-117.7	-23.8	0	0	0	115.2
131	L	39.3	Very low	39.9	Very low	157 Å²	157	134.5 Å²	134.5	82%	0.822	71%	0.71	S	S	*	*			trans	-115.7	85	166.6	-92.7	76.8	0	0	0	109.7
132	D	30.2	Very low	39	Very low	162 Å²	162	137.3 Å²	137.3	87%	0.866	73%	0.725	S	S	*	*			trans	-173.2	83.5	150.6	-105.5	-19.5	0	0	0	110.7
133	S	29.8	Very low	37.8	Very low	124 Å²	124	133.9 Å²	133.9	87%	0.867	72%	0.722	S	S	*	*			trans	177.5	122.1	155	-83.5	0	0	0	0	111.7
134	N	29.6	Very low	37	Very low	155 Å²	155	138.5 Å²	138.5	83%	0.829	74%	0.741	S	S	*	*			trans	-167.1	139.6	176.9	-122.4	-13.5	0	0	0	105.7
135	V	32.8	Very low	36.2	Very low	122 Å²	122	138.3 Å²	138.3	74%	0.739	75%	0.749	S	S	*	*			cis	-153.7	-166.4	8.1	-135.2	0	0	0	0	105.9
136	P	48.8	Very low	35.3	Very low	106 Å²	106	139.2 Å²	139.2	69%	0.688	77%	0.766	S	S	*	*			cis	-122.9	171.6	-42.4	38.2	-24.8	0	0	0	113.1
137	S	28.4	Very low	34.4	Very low	104 Å²	104	143.3 Å²	143.3	73%	0.727	78%	0.781	S	S	*	*				164.8	132.8	119.5	-76	0	0	0	0	116.1
138	Q	29.6	Very low	34.3	Very low	192 Å²	192	139.2 Å²	139.2	90%	0.897	78%	0.782	S	S	*	*			trans	66.7	160.4	154	-63.9	-173.5	5.1	0	0	120.6
139	V	29.9	Very low	33.6	Very low	134 Å²	134	136.3 Å²	136.3	81%	0.812	78%	0.779	S	S	*	*			trans	-169.3	154.3	-150.9	170.4	0	0	0	0	106.1
140	P	48	Very low	33	Very low	111 Å²	111	133.4 Å²	133.4	72%	0.721	78%	0.777	S	S	*	*			cis	-120.2	-143.2	-14.4	34.6	-11.1	0	0	0	109.2
141	P	45.6	Very low	32.5	Very low	97 Å²	97	134.6 Å²	134.6	63%	0.63	78%	0.778	S	S	*	*			cis	-140.9	172.3	-10.1	43.5	-25.5	0	0	0	118.8
142	Q	28.8	Very low	31.9	Very low	183 Å²	183	132.1 Å²	132.1	86%	0.855	77%	0.769	S	S	*	*			trans	61.7	160.4	150.3	-71.7	171	13.7	0	0	119.2
143	T	24.6	Very low	31.7	Very low	91 Å²	91	128.9 Å²	128.9	56%	0.558	76%	0.76	S	S	*	*			cis	-164.2	161.7	-35.5	-65.6	0	0	0	0	106
144	H	29.4	Very low	31.6	Very low	189 Å²	189	131.1 Å²	131.1	88%	0.875	76%	0.759	S	S	*	*			trans	70.8	150.5	177.6	-40.6	-83.3	0	0	0	113.9
145	G	25.3	Very low	31.3	Very low	63 Å²	63	128.1 Å²	128.1	65%	0.649	76%	0.755	S	S	*	*			cis	171	175.9	-5.7	0	0	0	0	0	111.2
146	S	31.4	Very low	30.9	Very low	129 Å²	129	127.4 Å²	127.4	90%	0.902	76%	0.755	S	S	*	*			trans	74.4	110.3	165.3	-42.7	0	0	0	0	119.1
147	Q	27.1	Very low	29.9	Very low	187 Å²	187	130.1 Å²	130.1	87%	0.874	76%	0.763	S	S	*	*			trans	-65.3	171.5	136	-90.2	-175.5	-18.8	0	0	110
148	P	41.2	Very low	30	Very low	121 Å²	121	129.2 Å²	129.2	79%	0.786	76%	0.757	S	S	*	*			cis	-144	-168.6	29.8	43.3	-22.2	0	0	0	117.7
149	A	26.5	Very low	30	Very low	86 Å²	86	127 Å²	127	71%	0.711	76%	0.756	S	S	*	*			trans	-53.7	169.2	178.2	0	0	0	0	0	117.6
150	I	29.6	Very low	30.2	Very low	146 Å²	146	129.1 Å²	129.1	75%	0.749	75%	0.754	S	S	*	*			trans	-173.7	122.4	131.4	-99.4	159.7	0	0	0	110.9
151	E	27	Very low	29.6	Very low	168 Å²	168	134 Å²	134	79%	0.785	76%	0.764	S	S	*	*			trans	55	170.9	135.5	-59.1	-170.6	-169.9	0	0	123
152	T	26.8	Very low	28.8	Very low	104 Å²	104	139.2 Å²	139.2	64%	0.638	77%	0.771	S	S	*	*			cis	-163.2	122.8	-37.5	-85.7	0	0	0	0	110.4
153	S	26.4	Very low	28.9	Very low	95 Å²	95	140.8 Å²	140.8	66%	0.664	77%	0.77	S	S	*	*			trans	67.9	167.7	153	83.4	0	0	0	0	122.7
154	M	26.1	Very low	29.3	Very low	171 Å²	171	146.8 Å²	146.8	84%	0.842	79%	0.788	S	S	*	*			trans	78.3	112.2	151.6	-75	-160.5	-66.9	0	0	122.8
155	A	25	Very low	29.5	Very low	92 Å²	92	147 Å²	147	76%	0.76	79%	0.786	S	S	*	*				87.4	123.5	120.1	0	0	0	0	0	120.8
156	C	24.2	Very low	29.7	Very low	107 Å²	107	156 Å²	156	72%	0.723	80%	0.801	S	S	*	*			trans	-42.8	155.2	170.1	55.1	0	0	0	0	117.9
157	N	26.8	Very low	29.8	Very low	163 Å²	163	160.5 Å²	160.5	87%	0.872	80%	0.798	S	S	*	*				-154.1	163.3	114.1	-117.6	-54.6	0	0	0	114.8
158	S	30.1	Very low	30	Very low	84 Å²	84	161.2 Å²	161.2	59%	0.587	80%	0.798	S	S	*	*			trans	-112.6	147.6	-172.4	74.6	0	0	0	0	113.3
159	V	31	Very low	29.5	Very low	146 Å²	146	160.9 Å²	160.9	89%	0.885	80%	0.799	S	S	*	*			trans	-134.3	133.1	158	-171.1	0	0	0	0	110.6
160	K	32.8	Very low	29.5	Very low	178 Å²	178	162.6 Å²	162.6	77%	0.774	80%	0.8	S	S	*	*			trans	-97.3	151.4	-178.9	-57.8	150.4	-176.2	164.1	0	110.3
161	K	35	Very low	29.3	Very low	213 Å²	213	164.8 Å²	164.8	93%	0.926	81%	0.807	S	S	*	*			trans	-158.4	166.4	139.2	-109.1	147.1	-170.1	175.4	0	113
162	R	29.7	Very low	29.3	Very low	207 Å²	207	165.5 Å²	165.5	78%	0.781	81%	0.807	S	S	*	*			trans	-131.5	144.9	-155.1	-92.7	162.2	37	153.3	-12.2	112.4
163	R	31.8	Very low	29.3	Very low	217 Å²	217	168 Å²	168	82%	0.819	81%	0.814	S	S	*	*			trans	51.7	131.4	145.1	-68.9	177.5	164.5	-176.2	-4.2	119.3
164	K	31.6	Very low	29.1	Very low	216 Å²	216	169.3 Å²	169.3	94%	0.939	81%	0.814	S	S	*	*				-146	163.8	116.7	-118.9	169.7	-175.8	175	0	111.4
165	K	33.6	Very low	29.1	Very low	194 Å²	194	165.5 Å²	165.5	84%	0.843	80%	0.804	S	S	*	*			trans	-152.6	132	-169.8	-179.5	-178.5	-175.2	176	0	108.6
166	R	29.8	Very low	29.3	Very low	252 Å²	252	168.7 Å²	168.7	95%	0.951	81%	0.807	S	S	*	*			trans	-150.3	165.7	168.8	-159.6	163.3	174.7	160.5	-1.8	110.3
167	R	34.8	Very low	29.4	Very low	223 Å²	223	172.4 Å²	172.4	84%	0.842	81%	0.811	S	S	*	*			trans	-123.2	141.9	-169.2	-72.9	172.5	161.9	166.1	-8.4	112.3
168	K	31.2	Very low	29.5	Very low	202 Å²	202	174.2 Å²	174.2	88%	0.878	81%	0.806	S	S	*	*			trans	39.8	119.3	133	-172.9	-179.6	-178.3	178.1	0	120.1
169	S	28.9	Very low	29.3	Very low	115 Å²	115	176.8 Å²	176.8	80%	0.804	81%	0.808	S	S	*	*				-166.7	145.3	127.7	56.2	0	0	0	0	114.3
170	T	27.7	Very low	29	Very low	121 Å²	121	174.9 Å²	174.9	74%	0.742	79%	0.793	S	S	*	*			trans	-48.2	157.6	173.9	45.3	0	0	0	0	119.5
171	H	25.1	Very low	28.7	Very low	193 Å²	193	174.3 Å²	174.3	89%	0.894	80%	0.799	S	S	*	*				-150.1	172.3	126.2	-128	-96.4	0	0	0	113.1
172	K	26.3	Very low	28.4	Very low	182 Å²	182	166.3 Å²	166.3	79%	0.791	78%	0.777	S	S	*	*			trans	-122.7	-178.5	-171.5	-85.1	-170.3	174.1	-171.7	0	112.5
173	M	27.2	Very low	28.2	Very low	156 Å²	156	161.9 Å²	161.9	77%	0.768	77%	0.769	S	S	*	*			trans	86.9	142.6	157.9	-112.3	60.1	-172.6	0	0	115.9
174	D	23.1	Very low	28.3	Very low	124 Å²	124	155 Å²	155	66%	0.663	75%	0.751	S	S	*	*			cis	-146.4	-177.7	-2	-146.9	-19.4	0	0	0	113.7
175	S	26.5	Very low	28.2	Very low	91 Å²	91	149.2 Å²	149.2	64%	0.636	74%	0.738	S	S	*	*			trans	-92	172.7	-161.6	-42.7	0	0	0	0	115.4
176	L	27.5	Very low	28	Very low	159 Å²	159	146 Å²	146	83%	0.832	73%	0.726	S	S	*	*				178.9	150.5	118.4	-99	160.3	0	0	0	116.1
177	K	26.8	Very low	28	Very low	185 Å²	185	141.7 Å²	141.7	80%	0.804	72%	0.722	S	S	*	*			trans	70.4	127.3	174.3	-59.6	-178.7	-180	-177.8	0	116
178	R	28	Very low	28.1	Very low	201 Å²	201	139.6 Å²	139.6	76%	0.758	72%	0.721	S	S	*	*			cis	79.2	140.1	34.1	-61.6	-172.1	137.3	-173.9	-7.5	114.2
179	E	26	Very low	28.2	Very low	137 Å²	137	136.1 Å²	136.1	64%	0.64	71%	0.713	S	S	*	*			cis	-176.4	148.2	-11.8	-104.5	150.4	-171.1	0	0	104.6
180	D	26.1	Very low	28.2	Very low	106 Å²	106	136.6 Å²	136.6	57%	0.567	70%	0.704	S	S	*	*			cis	-163	-144.5	-29.1	-147.3	-79.6	0	0	0	106.6	R566	D180-R566 IonicContact OD1-NH1 2.69Å; D180-R566 PolarHBondContact OD1-NH1 2.78Å; D180-R566 IonicContact OD2-CZ 3.71Å; D180-R566 IonicContact OD2-NH1 3.72Å; D180-R566 PolarHBondContact OD2-NH1 3.3Å; D180-R566 IonicContact OD2-NH2 2.65Å
181	N	25.7	Very low	28.1	Very low	166 Å²	166	138.5 Å²	138.5	89%	0.888	70%	0.702	S	S	*	*			trans	79.4	158.9	172.5	-62	-30.9	0	0	0	119.9
182	G	28.3	Very low	28.4	Very low	46 Å²	46	135 Å²	135	47%	0.474	70%	0.696	S	S	.	*			trans	-177.2	173.3	171.7	0	0	0	0	0	109.5	N569	G182-N569 WeakPolarHBondContact O-CB 3.27Å
183	D	26.7	Very low	28.7	Very low	113 Å²	113	134.2 Å²	134.2	60%	0.604	70%	0.699	S	S	*	*			trans	-142	162.7	173.8	-87.8	-76.5	0	0	0	113.5	N569 S570	D183-N569 HydrophobicContact CB-CB 4.25Å; D183-N569 WeakPolarHBondContact OD1-CA 3.48Å; D183-N569 WeakPolarHBondContact OD1-CB 3.43Å; D183-N569 PolarHBondContact OD1-ND2 3.02Å; D183-S570 PolarHBondContact OD1-N 3.18Å
184	T	33.5	Very low	28.6	Very low	72 Å²	72	134.8 Å²	134.8	44%	0.442	70%	0.7	S	S	.	*			trans	-144.2	161.7	-173.7	69.8	0	0	0	0	112.9	N569	T184-N569 CarbonylContact C-O 3.34Å; T184-N569 WeakPolarHBondContact CA-O 3.34Å; T184-N569 WeakPolarHBondContact CB-O 3.46Å; T184-N569 PolarHBondContact N-O 3.01Å; T184-N569 PolarHBondContact OG1-O 3.49Å
185	S	29.9	Very low	28.7	Very low	96 Å²	96	136 Å²	136	67%	0.671	71%	0.705	S	S	*	*			trans	-152.2	151.4	154.1	83.3	0	0	0	0	108.3
186	E	29.5	Very low	28.6	Very low	125 Å²	125	136.3 Å²	136.3	58%	0.584	71%	0.707	S	S	*	*			cis	76	109.7	26.5	-55.8	-177.3	-176	0	0	113.1
187	D	28.3	Very low	28.5	Very low	163 Å²	163	133.4 Å²	133.4	87%	0.872	70%	0.7	S	S	*	*				-165.6	162.8	119.8	-107.1	-14.5	0	0	0	112.3
188	E	37.2	Very low	28.4	Very low	179 Å²	179	132.6 Å²	132.6	84%	0.836	70%	0.699	S	S	*	*			trans	-140.1	-167.3	-172.7	-90.1	-97.7	-160.1	0	0	109.9
189	D	34.6	Very low	28.4	Very low	129 Å²	129	130.9 Å²	130.9	69%	0.69	70%	0.699	S	S	*	*			trans	106.2	147.6	163.6	-68.1	-3.2	0	0	0	118
190	M	29	Very low	28.5	Very low	125 Å²	125	130.4 Å²	130.4	62%	0.616	70%	0.697	S	S	*	*			cis	166.2	167.6	-42.1	171.9	165.6	33.5	0	0	109
191	F	25.6	Very low	28.4	Very low	160 Å²	160	133 Å²	133	70%	0.702	70%	0.703	S	S	*	*			trans	83	159.3	167.4	-52.4	-68.5	0	0	0	118.2
192	P	29.8	Very low	28.5	Very low	119 Å²	119	131.9 Å²	131.9	77%	0.773	69%	0.693	S	S	*	*			cis	-132.6	-178.9	-28.1	30.9	-11	0	0	0	113.9
193	I	32.8	Very low	28.5	Very low	167 Å²	167	135.7 Å²	135.7	86%	0.856	71%	0.709	S	S	*	*			trans	-144.6	132.6	164.4	-61.6	176.4	0	0	0	109.3
194	E	25.5	Very low	28.5	Very low	167 Å²	167	137 Å²	137	78%	0.78	72%	0.715	S	S	*	*			trans	-175.6	143.9	146.9	-119.9	175.5	-138.9	0	0	115.7
195	I	25.4	Very low	28	Very low	151 Å²	151	140.8 Å²	140.8	77%	0.774	73%	0.733	S	S	*	*			trans	38.3	152.8	155.5	45.5	165.9	0	0	0	123.7
196	S	24.3	Very low	27.7	Very low	97 Å²	97	143 Å²	143	68%	0.678	74%	0.738	S	S	*	*			cis	-172.5	164.8	-15.6	-170.6	0	0	0	0	112
197	S	24.6	Very low	27.6	Very low	98 Å²	98	141.7 Å²	141.7	69%	0.685	74%	0.742	S	S	*	*			trans	67.1	154.1	149.5	-74	0	0	0	0	120.8
198	E	25.2	Very low	27.4	Very low	168 Å²	168	144.6 Å²	144.6	79%	0.785	74%	0.741	S	S	*	*			cis	-171	171.7	-17.4	-153.8	157.3	150.5	0	0	111.4
199	E	29.1	Very low	26.9	Very low	165 Å²	165	143.6 Å²	143.6	77%	0.771	74%	0.739	S	S	*	*			trans	63.4	153.7	170.5	-69.4	-162.9	105	0	0	119
200	E	27.4	Very low	27	Very low	127 Å²	127	143 Å²	143	59%	0.593	74%	0.743	S	S	*	*			cis	-158.7	168.9	-4.5	-130.6	-161.9	141.3	0	0	114.5
201	K	25.1	Very low	27	Very low	160 Å²	160	142.9 Å²	142.9	70%	0.696	75%	0.749	S	S	*	*			trans	67.8	116.2	150.5	-77.2	171.6	168.5	83.1	0	124.6
202	E	26.6	Very low	27.3	Very low	142 Å²	142	141.4 Å²	141.4	66%	0.664	76%	0.755	S	S	*	*				3.6	144.7	124.3	-81.3	-79.8	146.5	0	0	119.1	L204	E202-L204 PolarHBondContact OE2-N 2.89Å
203	P	29.4	Very low	27	Very low	126 Å²	126	144.6 Å²	144.6	82%	0.818	76%	0.76	S	S	*	*				-143.3	155.3	63.2	40.1	-23	0	0	0	119.8
204	L	26.3	Very low	26.7	Very low	140 Å²	140	142.8 Å²	142.8	73%	0.733	76%	0.756	S	S	*	*			trans	-73.8	151.3	163.5	-71.6	157.4	0	0	0	115	E202	E202-L204 PolarHBondContact OE2-N 2.89Å
205	D	23.1	Very low	26.6	Very low	153 Å²	153	140.2 Å²	140.2	82%	0.818	76%	0.755	S	S	*	*			trans	-153.6	168.5	135.9	-153.5	-2.1	0	0	0	112.4
206	N	24	Very low	26.7	Very low	143 Å²	143	140.1 Å²	140.1	77%	0.765	76%	0.755	S	S	*	*			trans	-108	146.6	-169.6	-68.5	-98.1	0	0	0	113.6
207	S	25.5	Very low	26.8	Very low	97 Å²	97	142.6 Å²	142.6	68%	0.678	76%	0.761	S	S	*	*				175.5	111.7	123.8	178.3	0	0	0	0	116
208	R	25.9	Very low	26.8	Very low	223 Å²	223	146.9 Å²	146.9	84%	0.842	77%	0.77	S	S	*	*			trans	45.5	115.2	132.1	-49.5	175.8	-162.2	-179.2	7.2	121.3
209	I	25.6	Very low	27	Very low	158 Å²	158	145 Å²	145	81%	0.81	77%	0.769	S	S	*	*				49	138.8	107.4	-61.2	165.6	0	0	0	118.3
210	P	36.6	Very low	27	Very low	117 Å²	117	142.3 Å²	142.3	76%	0.76	77%	0.769	S	S	*	*			cis	-130.6	176.5	13.2	30.4	-8.5	0	0	0	117.3
211	V	29.6	Very low	26.9	Very low	123 Å²	123	145.6 Å²	145.6	75%	0.745	79%	0.785	S	S	*	*			trans	-80.8	166.3	165.7	-148.2	0	0	0	0	111.4
212	P	30.5	Very low	27.2	Very low	129 Å²	129	144.7 Å²	144.7	84%	0.838	79%	0.786	S	S	*	*				-134.3	147.9	123.6	37.8	-29.3	0	0	0	114
213	E	24.9	Very low	27.2	Very low	185 Å²	185	147.8 Å²	147.8	86%	0.864	80%	0.797	S	S	*	*			trans	-147.2	132.2	176	-179.6	178.5	-126.9	0	0	110.1
214	V	26.8	Very low	26.9	Very low	130 Å²	130	147.5 Å²	147.5	79%	0.788	79%	0.793	S	S	*	*			trans	-153.2	129.5	173.9	176.4	0	0	0	0	110.1
215	C	23.2	Very low	27.7	Very low	112 Å²	112	146.4 Å²	146.4	76%	0.757	80%	0.795	S	S	*	*			trans	60	130.4	171.7	-66.2	0	0	0	0	117.4
216	I	27.1	Very low	27.9	Very low	150 Å²	150	143.1 Å²	143.1	77%	0.769	79%	0.789	S	S	*	*			cis	77.7	114.6	30.4	-55.5	-178.6	0	0	0	114.7
217	D	27.1	Very low	28	Very low	149 Å²	149	143.3 Å²	143.3	80%	0.797	79%	0.794	S	S	*	*			trans	45	130.9	156.2	-69	-12.4	0	0	0	121.9
218	E	24.7	Very low	28.1	Very low	187 Å²	187	142.6 Å²	142.6	87%	0.874	80%	0.795	S	S	*	*				-153.6	163.4	90.6	-131.5	-169.8	129.7	0	0	114.1
219	V	29.1	Very low	28.1	Very low	128 Å²	128	137.3 Å²	137.3	78%	0.776	79%	0.787	S	S	*	*			trans	-77.1	148.9	178.1	166	0	0	0	0	111
220	S	28.7	Very low	28.3	Very low	110 Å²	110	138.7 Å²	138.7	77%	0.769	79%	0.788	S	S	*	*			trans	-103.1	121	169.8	-66.3	0	0	0	0	112
221	E	25.5	Very low	27.8	Very low	196 Å²	196	137.4 Å²	137.4	92%	0.916	78%	0.782	S	S	*	*			trans	-134.1	142.8	151.9	-158.6	172.9	-131.4	0	0	110
222	I	30.9	Very low	27.8	Very low	141 Å²	141	140 Å²	140	72%	0.723	79%	0.786	S	S	*	*			trans	-119.3	123	-162.5	-61.9	171.6	0	0	0	111.1
223	K	26	Very low	27.7	Very low	206 Å²	206	138.8 Å²	138.8	90%	0.896	78%	0.78	S	S	*	*			trans	-155	125.5	146.5	-116	162.6	-172.2	170.1	0	113
224	T	24.1	Very low	27.8	Very low	121 Å²	121	134.2 Å²	134.2	74%	0.742	77%	0.774	S	S	*	*			trans	-117.5	-177.2	174.5	63	0	0	0	0	107.6
225	P	43.6	Very low	27.8	Very low	117 Å²	117	133.6 Å²	133.6	76%	0.76	78%	0.775	S	S	*	*			cis	-139.3	174.1	2	40.8	-22.6	0	0	0	117.2
226	A	26.2	Very low	28.3	Very low	84 Å²	84	139 Å²	139	69%	0.694	78%	0.781	S	S	*	*				121.8	138.8	124.1	0	0	0	0	0	118.7
227	V	26.9	Very low	29.1	Very low	146 Å²	146	136.5 Å²	136.5	89%	0.885	78%	0.775	S	S	*	*			trans	67.2	133.3	165	-164.8	0	0	0	0	116.9
228	A	26.5	Very low	29.2	Very low	83 Å²	83	137.6 Å²	137.6	69%	0.686	78%	0.775	S	S	*	*			cis	-165.6	152.1	-30.8	0	0	0	0	0	109.2
229	T	26.9	Very low	29.5	Very low	112 Å²	112	133.1 Å²	133.1	69%	0.687	76%	0.764	S	S	*	*			trans	-19.7	164.6	159.4	25.8	0	0	0	0	120.5
230	F	29.3	Very low	29.8	Very low	187 Å²	187	134.5 Å²	134.5	82%	0.82	77%	0.768	S	S	*	*			cis	-154.9	167.1	17.7	-102.8	-50.2	0	0	0	108.9
231	S	26.5	Very low	29.9	Very low	90 Å²	90	133 Å²	133	63%	0.629	77%	0.769	S	S	*	*			cis	-129.2	-107.5	-5.5	-84.4	0	0	0	0	110
232	Q	28.5	Very low	30.2	Very low	177 Å²	177	132.1 Å²	132.1	83%	0.827	77%	0.765	S	S	*	*			cis	-172.3	145.7	-16.4	-140.6	165.1	9.2	0	0	108
233	S	28.5	Very low	30.2	Very low	104 Å²	104	136.8 Å²	136.8	73%	0.727	77%	0.773	S	S	*	*			cis	-168.5	153.1	-31.6	57.4	0	0	0	0	110.9
234	A	28	Very low	30.5	Very low	89 Å²	89	132.1 Å²	132.1	74%	0.736	77%	0.767	S	S	*	*			trans	72	111.1	161.9	0	0	0	0	0	121.7
235	S	26.8	Very low	31.3	Very low	116 Å²	116	132 Å²	132	81%	0.811	77%	0.768	S	S	*	*				68.8	123	125	-52.5	0	0	0	0	124.7
236	Y	32.9	Very low	31.1	Very low	225 Å²	225	132.4 Å²	132.4	88%	0.882	77%	0.771	S	S	*	*			trans	-45.7	177.4	150.8	-58.2	-76.3	0	0	0	115
237	P	43.5	Very low	31.3	Very low	98 Å²	98	137.4 Å²	137.4	64%	0.636	78%	0.78	S	S	*	*			cis	-151.7	-173	26.1	26.5	3.5	0	0	0	120.2
238	H	30.6	Very low	31.6	Very low	173 Å²	173	135.1 Å²	135.1	80%	0.801	77%	0.77	S	S	*	*			trans	104.1	107	151	-62.1	-61.1	0	0	0	122.6
239	S	31.2	Very low	32.3	Very low	93 Å²	93	136.6 Å²	136.6	65%	0.65	77%	0.773	S	S	*	*				60	107.6	115.1	-163	0	0	0	0	121.8
240	D	34.9	Very low	32.6	Very low	157 Å²	157	136.9 Å²	136.9	84%	0.84	78%	0.78	S	S	*	*				59.9	127	128	-47.2	-52.4	0	0	0	123.1
241	G	30.3	Very low	32.8	Very low	77 Å²	77	132 Å²	132	79%	0.794	78%	0.782	S	S	*	*			trans	-175.5	132	166.5	0	0	0	0	0	111.1
242	E	32.9	Very low	33	Very low	178 Å²	178	133.5 Å²	133.5	83%	0.832	79%	0.793	S	S	*	*			trans	-84.8	-165.5	-175	-52	172.1	112.1	0	0	113.5
243	W	30	Very low	33.4	Very low	239 Å²	239	136.5 Å²	136.5	91%	0.905	80%	0.796	S	S	*	*			trans	112.2	147	158.8	-67.2	73.8	0	0	0	117.8
244	S	33.2	Very low	34.1	Very low	109 Å²	109	137 Å²	137	76%	0.762	80%	0.797	S	S	*	*			trans	-100.2	176.6	-158.9	-39.7	0	0	0	0	113.1
245	P	39.5	Very low	35.3	Very low	118 Å²	118	138.4 Å²	138.4	77%	0.766	80%	0.799	S	S	*	*			trans	-77.8	159.6	-161.6	32.2	-35.8	0	0	0	114.9
246	P	40	Very low	35.6	Very low	126 Å²	126	139.4 Å²	139.4	82%	0.818	80%	0.8	S	S	*	*			trans	-82.1	153	-169.8	32.9	-37.3	0	0	0	115.4
247	Q	29.8	Very low	36.3	Very low	188 Å²	188	133.9 Å²	133.9	88%	0.879	79%	0.792	S	S	*	*			trans	-86.8	175.9	158	-49.3	-178.9	-13	0	0	109
248	S	34.3	Very low	36	Very low	98 Å²	98	138.6 Å²	138.6	69%	0.685	80%	0.802	S	S	*	*			cis	-165.1	-161.2	17.4	57.8	0	0	0	0	106.6
249	P	40.2	Very low	36.2	Very low	115 Å²	115	134.3 Å²	134.3	75%	0.747	79%	0.792	S	S	*	*			cis	-126.6	-146.4	-18.4	40.5	-21.8	0	0	0	110.8
250	S	33.7	Very low	36.4	Very low	118 Å²	118	136.1 Å²	136.1	83%	0.825	79%	0.794	S	S	*	*				-164.1	144.4	-79.6	-72.7	0	0	0	0	110.3
251	G	32.6	Very low	36.4	Very low	85 Å²	85	132.5 Å²	132.5	88%	0.876	78%	0.781	S	S	*	*			trans	119.4	137.8	170.9	0	0	0	0	0	113.8
252	S	32.4	Very low	36.5	Very low	121 Å²	121	136.3 Å²	136.3	85%	0.846	78%	0.778	S	S	*	*			cis	-139.4	138.4	14	57.5	0	0	0	0	113.5
253	R	35.5	Very low	36.6	Very low	240 Å²	240	134.4 Å²	134.4	91%	0.906	77%	0.773	S	S	*	*			trans	-161	134.8	164.1	-142.9	-175.6	-162	-137.6	5.2	113.6
254	P	43.9	Very low	36.6	Very low	113 Å²	113	128.7 Å²	128.7	73%	0.734	77%	0.765	S	S	*	*			trans	-94.5	172	162.5	35.3	-30.1	0	0	0	112.4
255	P	53.2	Low	36.3	Very low	119 Å²	119	129 Å²	129	77%	0.773	77%	0.767	S	S	*	*			trans	-124.5	169	-143.4	42.7	-32.8	0	0	0	117.6
256	T	33.8	Very low	35.7	Very low	138 Å²	138	132.7 Å²	132.7	85%	0.847	77%	0.771	S	S	*	*			trans	-140	159.4	155.5	41.3	0	0	0	0	110.4
257	P	47.5	Very low	35.9	Very low	109 Å²	109	132 Å²	132	71%	0.708	77%	0.766	S	S	*	*			trans	-119.2	161.1	-155.7	42.3	-32	0	0	0	116.6
258	K	37.2	Very low	35.8	Very low	196 Å²	196	128.8 Å²	128.8	85%	0.852	76%	0.759	S	S	*	*			trans	39.2	142.1	133.3	-66.5	-165.8	-179.9	-165.9	0	119.7
259	S	34.3	Very low	35.6	Very low	83 Å²	83	130.9 Å²	130.9	58%	0.58	76%	0.763	S	S	*	*			cis	-177.6	-173.2	18.5	-111.2	0	0	0	0	109
260	D	34.5	Very low	35.2	Very low	131 Å²	131	137.4 Å²	137.4	70%	0.701	77%	0.773	S	S	*	*			cis	-159.2	160.4	-0.8	-110.3	-13.2	0	0	0	110.6
261	S	36.4	Very low	34.9	Very low	82 Å²	82	136 Å²	136	57%	0.573	78%	0.777	S	S	*	*			trans	45.1	136.9	136.2	-55.1	0	0	0	0	124.9
262	E	32.7	Very low	34.7	Very low	156 Å²	156	135.6 Å²	135.6	73%	0.729	77%	0.773	S	S	*	*			cis	91	144.7	29.3	-62.1	162.2	119.7	0	0	114.9
263	L	33.3	Very low	34.5	Very low	138 Å²	138	137.1 Å²	137.1	72%	0.723	77%	0.77	S	S	*	*			cis	-164.5	145	-11.3	-106.4	168	0	0	0	112.6
264	V	31.3	Very low	34.3	Very low	120 Å²	120	133.8 Å²	133.8	73%	0.727	76%	0.763	S	S	*	*			trans	70.3	143	141.5	158.7	0	0	0	0	125.1
265	S	27	Very low	33.7	Very low	115 Å²	115	135.2 Å²	135.2	80%	0.804	76%	0.764	S	S	*	*			trans	92.8	152.6	150.1	69.4	0	0	0	0	123.9
266	K	27.2	Very low	32.8	Very low	196 Å²	196	136.4 Å²	136.4	85%	0.852	76%	0.764	S	S	*	*			trans	-101.1	-166.7	178.5	-41.6	170.7	175.1	174.2	0	109.9
267	P	44	Very low	33	Very low	110 Å²	110	136.1 Å²	136.1	71%	0.714	76%	0.764	S	S	*	*			cis	-133.9	177.9	-16.5	36.6	-17.9	0	0	0	115.1
268	T	27.3	Very low	32.2	Very low	121 Å²	121	137.9 Å²	137.9	74%	0.742	76%	0.763	S	S	*	*				148.8	119.9	128	-58.9	0	0	0	0	114.6
269	D	29.3	Very low	31.9	Very low	143 Å²	143	136.4 Å²	136.4	77%	0.765	76%	0.761	S	S	*	*			trans	5.9	132.1	158.6	-51.4	-21.6	0	0	0	123.1
270	R	31.2	Very low	31.7	Very low	251 Å²	251	140.3 Å²	140.3	95%	0.947	77%	0.77	S	S	*	*				-172.8	123.2	92.6	-98.5	178.8	-174	-125.8	-1.7	115.6
271	G	28	Very low	31.6	Very low	89 Å²	89	145.2 Å²	145.2	92%	0.918	78%	0.779	S	S	*	*			trans	86	141	149.1	0	0	0	0	0	118.6
272	G	27.6	Very low	31.5	Very low	76 Å²	76	145.8 Å²	145.8	78%	0.784	79%	0.788	S	S	*	*			trans	147	-0.5	158	0	0	0	0	0	122.3
273	L	29.9	Very low	31.4	Very low	153 Å²	153	151 Å²	151	80%	0.801	80%	0.802	S	S	*	*			trans	46.2	120.6	169.4	-99.8	72	0	0	0	120.9
274	K	30.4	Very low	31.8	Very low	171 Å²	171	148 Å²	148	74%	0.743	80%	0.804	S	S	*	*			trans	86.2	110.8	138.4	-69.2	-175.4	177.8	-176.6	0	122.2
275	N	30.8	Very low	32	Very low	143 Å²	143	151.8 Å²	151.8	77%	0.765	81%	0.814	S	S	*	*				91	94.6	129.9	-62.2	15.7	0	0	0	120
276	N	34.7	Very low	32.5	Very low	144 Å²	144	154.1 Å²	154.1	77%	0.77	82%	0.817	S	S	*	*			trans	-58.8	164.6	144.3	-90.4	-17.7	0	0	0	111.6
277	P	38.1	Very low	32.8	Very low	131 Å²	131	150.8 Å²	150.8	85%	0.851	82%	0.815	S	S	*	*				-118.7	117.6	124.5	33.1	-29.5	0	0	0	111.6
278	Q	31.6	Very low	32.1	Very low	147 Å²	147	154.7 Å²	154.7	69%	0.687	82%	0.824	S	S	*	*			trans	-85.8	144.7	165.2	-178.7	170.8	-19.6	0	0	108.7	H280	Q278-H280 PolarHBondContact O-CD2 2.87Å; Q278-H280 PolarHBondContact O-N 2.84Å; Q278-H280 VanDerWaalsContact O-N 3.15Å
279	M	29.3	Very low	32.3	Very low	165 Å²	165	153.7 Å²	153.7	81%	0.813	83%	0.828	S	S	*	*			trans	-74.7	105.1	-174.6	-172.2	167.3	64.2	0	0	111.5
280	H	30.3	Very low	32.3	Very low	165 Å²	165	151.8 Å²	151.8	76%	0.764	83%	0.831	S	S	*	*			trans	-95.8	143.7	171.1	-76.2	-95	0	0	0	110.9	Q278	Q278-H280 PolarHBondContact O-CD2 2.87Å; Q278-H280 PolarHBondContact O-N 2.84Å; Q278-H280 VanDerWaalsContact O-N 3.15Å
281	W	33.9	Very low	32.3	Very low	233 Å²	233	149.4 Å²	149.4	88%	0.883	83%	0.828	S	S	*	*			trans	-100	135.5	168.6	-77.2	83	0	0	0	109.8
282	A	32.6	Very low	32.3	Very low	94 Å²	94	150.1 Å²	150.1	78%	0.777	83%	0.825	S	S	*	*			trans	-124.5	148.5	168.8	0	0	0	0	0	109
283	W	30.7	Very low	32.4	Very low	267 Å²	267	153.3 Å²	153.3	100%	1.011	83%	0.83	S	S	*	*	S	Bend	trans	-98.4	128.3	176.7	-89.7	88.1	0	0	0	110.4
284	G	43.3	Very low	32.4	Very low	75 Å²	75	151 Å²	151	77%	0.773	83%	0.827	S	S	*	*	S	Bend	trans	96.5	66.5	164.6	0	0	0	0	0	116.6
285	E	35.3	Very low	32.3	Very low	198 Å²	198	150.8 Å²	150.8	93%	0.925	83%	0.832	S	S	*	*			trans	-152.6	157.7	161.6	-124.7	171.7	-149.2	0	0	111.3
286	L	36.6	Very low	32.4	Very low	165 Å²	165	152.2 Å²	152.2	86%	0.864	84%	0.839	S	S	*	*			trans	-106.7	134.2	-175.5	-85.5	160.4	0	0	0	111.7	Q288	L286-Q288 PolarHBondContact O-N 2.85Å
287	P	33.7	Very low	32.1	Very low	125 Å²	125	154.7 Å²	154.7	81%	0.812	84%	0.843	S	S	*	*	P	Polyproline II helix	trans	-79.2	122.2	-174.2	30.6	-34.2	0	0	0	113.1
288	Q	30.3	Very low	31.8	Very low	193 Å²	193	153.4 Å²	153.4	90%	0.902	84%	0.844	S	S	*	*	P	Polyproline II helix	trans	-92.5	149.3	166.7	-69.9	-168	0.5	0	0	112.2	L286	L286-Q288 PolarHBondContact O-N 2.85Å
289	A	31.1	Very low	31.6	Very low	100 Å²	100	156.2 Å²	156.2	83%	0.826	85%	0.854	S	S	*	*	P	Polyproline II helix	trans	-82.6	123.1	-171.9	0	0	0	0	0	113.9
290	A	29.9	Very low	31.8	Very low	102 Å²	102	157 Å²	157	84%	0.843	86%	0.856	S	S	*	*	P	Polyproline II helix	trans	-81.7	137.9	169.2	0	0	0	0	0	111.6
291	K	30.6	Very low	32	Very low	201 Å²	201	155.2 Å²	155.2	87%	0.874	86%	0.858	S	S	*	*	P	Polyproline II helix	trans	-80.8	140	-175.7	-64.1	165.1	-175.6	169.3	0	111.1
292	A	28.1	Very low	31.6	Very low	104 Å²	104	149.2 Å²	149.2	86%	0.86	85%	0.852	S	S	*	*	P	Polyproline II helix	trans	-78.1	121	175.6	0	0	0	0	0	111.6
293	T	29.9	Very low	31.5	Very low	144 Å²	144	151 Å²	151	88%	0.883	85%	0.853	S	S	*	*			trans	-92.4	112.9	175.3	-43.6	0	0	0	0	110.1
294	S	30.1	Very low	31.6	Very low	105 Å²	105	144.2 Å²	144.2	73%	0.734	84%	0.841	S	S	*	*			trans	-96.3	117.5	-179.3	50.1	0	0	0	0	112.3
295	L	27.8	Very low	30.9	Very low	165 Å²	165	147.4 Å²	147.4	86%	0.864	84%	0.84	S	S	*	*			trans	169.6	119.5	142.4	-98.3	161.1	0	0	0	111.4
296	L	33	Very low	30.7	Very low	173 Å²	173	144.7 Å²	144.7	91%	0.906	84%	0.836	S	S	*	*				-161.4	95.5	128.2	-101.9	-171.3	0	0	0	111.2
297	K	29	Very low	30.4	Very low	196 Å²	196	144.2 Å²	144.2	85%	0.852	84%	0.835	S	S	*	*			trans	33.2	115.1	146.8	-136.1	168.7	-171.6	173.9	0	119.5
298	A	31.8	Very low	30.7	Very low	105 Å²	105	143.9 Å²	143.9	87%	0.868	83%	0.833	S	S	*	*			trans	-66.7	158.3	169.2	0	0	0	0	0	113.7
299	K	27.2	Very low	30.9	Very low	205 Å²	205	140.6 Å²	140.6	89%	0.891	83%	0.831	S	S	*	*			trans	-147.3	142.2	165.9	-166.9	176.8	-178.6	-174.8	0	109
300	E	32	Very low	31.2	Very low	183 Å²	183	144.9 Å²	144.9	86%	0.855	83%	0.834	S	S	*	*	P	Polyproline II helix	trans	-69.8	150.7	-176.8	-65.3	170.1	113.4	0	0	113.1
301	P	34.5	Very low	31.4	Very low	126 Å²	126	145.2 Å²	145.2	82%	0.818	83%	0.83	S	S	*	*	P	Polyproline II helix	trans	-78.1	129.3	169.1	32.2	-32.4	0	0	0	111.2
302	S	26.9	Very low	31.5	Very low	108 Å²	108	141.5 Å²	141.5	76%	0.755	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-80.9	137	172.9	52.6	0	0	0	0	111.9
303	V	30.7	Very low	31.8	Very low	132 Å²	132	144.3 Å²	144.3	80%	0.8	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-67.5	136.6	171.4	-179.6	0	0	0	0	110.6
304	V	31	Very low	31.7	Very low	123 Å²	123	147.6 Å²	147.6	75%	0.745	82%	0.822	S	S	*	*			trans	-141.1	128.2	163.6	-179.2	0	0	0	0	108.1
305	D	28.8	Very low	32	Very low	143 Å²	143	153.6 Å²	153.6	77%	0.765	83%	0.829	S	S	*	*			trans	-76.2	145.2	-177.6	-61.2	-77.5	0	0	0	113.6
306	V	30.8	Very low	32.1	Very low	140 Å²	140	152.6 Å²	152.6	85%	0.848	83%	0.829	S	S	*	*			trans	-137	115.3	161.4	-175.8	0	0	0	0	107.8
307	N	32.1	Very low	32	Very low	155 Å²	155	151.9 Å²	151.9	83%	0.829	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-72.9	139.7	177.7	-93.1	-41.1	0	0	0	111.4
308	P	39.5	Very low	31.9	Very low	119 Å²	119	151.2 Å²	151.2	77%	0.773	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-79	156.1	177.2	33.5	-35.4	0	0	0	112.3
309	S	33.3	Very low	31.8	Very low	124 Å²	124	151.3 Å²	151.3	87%	0.867	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-99.6	152.8	166.6	-167.1	0	0	0	0	110.6
310	E	38.5	Very low	31.9	Very low	190 Å²	190	146.3 Å²	146.3	89%	0.888	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-90.1	116.1	-166.9	-60.1	-177.7	131.2	0	0	113.4
311	S	33.6	Very low	31.9	Very low	109 Å²	109	142.6 Å²	142.6	76%	0.762	82%	0.816	S	S	*	*			trans	-169.6	99.7	142.7	35.3	0	0	0	0	112.4
312	T	33.6	Very low	31.7	Very low	122 Å²	122	144.4 Å²	144.4	75%	0.748	82%	0.817	S	S	*	*			trans	12.8	146.1	142.2	58	0	0	0	0	121.2
313	H	33.7	Very low	31.9	Very low	164 Å²	164	148.1 Å²	148.1	76%	0.759	82%	0.822	S	S	*	*			cis	-178.6	123.3	-29.3	-105.9	-23.1	0	0	0	107
314	F	28.6	Very low	31.9	Very low	212 Å²	212	150.2 Å²	150.2	93%	0.93	82%	0.824	S	S	*	*			trans	-118.5	137.8	161.9	-98.2	-90.4	0	0	0	108.4
315	R	36.5	Very low	31.8	Very low	232 Å²	232	153.7 Å²	153.7	88%	0.875	83%	0.829	S	S	*	*			trans	-135.9	145.9	168.7	-80.3	-164.4	171.4	-169.4	-1.3	112
316	V	28.8	Very low	31.8	Very low	143 Å²	143	153.7 Å²	153.7	87%	0.867	83%	0.829	S	S	*	*			trans	-78.7	148.4	-172.2	176.6	0	0	0	0	110.9
317	I	31.2	Very low	31.6	Very low	158 Å²	158	154.6 Å²	154.6	81%	0.81	83%	0.829	S	S	*	*			trans	-100.7	132.8	171.1	-60.7	171.4	0	0	0	109.1
318	Q	26.8	Very low	31.5	Very low	183 Å²	183	153.4 Å²	153.4	86%	0.855	83%	0.827	S	S	*	*			trans	168	138.8	149.9	-93.4	-169.2	0.8	0	0	107.4
319	S	29.7	Very low	31.3	Very low	107 Å²	107	152.7 Å²	152.7	75%	0.748	83%	0.825	S	S	*	*			cis	-158	145.5	-14.2	-72.6	0	0	0	0	108.4
320	A	28.9	Very low	31.8	Very low	100 Å²	100	152.3 Å²	152.3	83%	0.826	82%	0.819	S	S	*	*			trans	-149.4	160.8	166.4	0	0	0	0	0	110.7
321	A	31.6	Very low	31.2	Very low	104 Å²	104	150.6 Å²	150.6	86%	0.86	82%	0.816	S	S	*	*			trans	-64.6	157.7	-167.5	0	0	0	0	0	115.2
322	I	31.5	Very low	31.4	Very low	164 Å²	164	151 Å²	151	84%	0.841	82%	0.815	S	S	*	*			trans	-118	118.4	166.1	-64.8	175.1	0	0	0	107.1
323	E	29.7	Very low	31.2	Very low	187 Å²	187	149.5 Å²	149.5	87%	0.874	82%	0.816	S	S	*	*			trans	-99	171.7	153.9	-76.2	-170.5	149.9	0	0	109.2
324	E	32.3	Very low	30.9	Very low	176 Å²	176	149.9 Å²	149.9	82%	0.822	82%	0.822	S	S	*	*			trans	-69.6	156.7	-173.2	-53.4	173.8	124.8	0	0	113.1
325	F	28.7	Very low	30.7	Very low	196 Å²	196	143.3 Å²	143.3	86%	0.86	82%	0.815	S	S	*	*				-174.5	149.4	116	-116	-86.2	0	0	0	112.4
326	N	27.8	Very low	30.4	Very low	142 Å²	142	141.6 Å²	141.6	76%	0.759	82%	0.816	S	S	*	*			trans	-94.5	143.5	166.6	-79.9	-55	0	0	0	110.9
327	N	27	Very low	30.5	Very low	160 Å²	160	139.1 Å²	139.1	86%	0.856	81%	0.811	S	S	*	*				176.2	168.2	127.8	-88.4	-27	0	0	0	111.6
328	V	29.8	Very low	30.5	Very low	130 Å²	130	139.7 Å²	139.7	79%	0.788	82%	0.816	S	S	*	*			trans	-138.4	147.9	-154.8	169.1	0	0	0	0	112.8
329	S	36.2	Very low	30.5	Very low	103 Å²	103	135.7 Å²	135.7	72%	0.72	81%	0.814	S	S	*	*			trans	73.8	163.7	160	-80.7	0	0	0	0	119.1
330	P	43	Very low	30.6	Very low	117 Å²	117	134.9 Å²	134.9	76%	0.76	81%	0.814	S	S	*	*			cis	-130.7	157.8	11.5	39.2	-22.6	0	0	0	119.6
331	L	26.6	Very low	30.7	Very low	154 Å²	154	136.6 Å²	136.6	81%	0.806	81%	0.814	S	S	*	*			trans	13.3	152.1	136.4	-88.3	167.6	0	0	0	122.7
332	P	38.3	Very low	30.7	Very low	116 Å²	116	135.8 Å²	135.8	75%	0.753	81%	0.807	S	S	*	*				-153.6	164.2	69.8	41.4	-21.2	0	0	0	121.6
333	A	27.9	Very low	30.7	Very low	92 Å²	92	135.1 Å²	135.1	76%	0.76	81%	0.805	S	S	*	*			trans	67.6	149.5	157.4	0	0	0	0	0	119.4
334	L	27.7	Very low	30.7	Very low	172 Å²	172	133.7 Å²	133.7	90%	0.901	80%	0.799	S	S	*	*			cis	-159.2	137.4	21.4	-179.2	71.9	0	0	0	113.7
335	G	25.6	Very low	30.5	Very low	74 Å²	74	130.9 Å²	130.9	76%	0.763	79%	0.794	S	S	*	*			trans	83.7	152.8	159	0	0	0	0	0	118.4
336	Q	30.1	Very low	30.4	Very low	195 Å²	195	128.7 Å²	128.7	91%	0.911	79%	0.786	S	S	*	*			cis	-161.3	140.9	-1.7	-171.9	178.8	20.1	0	0	113.2
337	A	29.8	Very low	30.9	Very low	92 Å²	92	127.2 Å²	127.2	76%	0.76	78%	0.784	S	S	*	*			trans	71.3	124.6	160.4	0	0	0	0	0	121.7
338	D	31.4	Very low	31.3	Very low	169 Å²	169	126.3 Å²	126.3	90%	0.904	78%	0.779	S	S	*	*			trans	-107.5	178	178.1	-62.7	-77.4	0	0	0	114.1
339	A	26.5	Very low	31.7	Very low	100 Å²	100	126.1 Å²	126.1	83%	0.826	78%	0.78	S	S	*	*			trans	-128.7	133.1	152.4	0	0	0	0	0	111.4
340	A	32.3	Very low	31.9	Very low	89 Å²	89	125.9 Å²	125.9	74%	0.736	79%	0.785	S	S	*	*			trans	-37	153.8	175.4	0	0	0	0	0	116.9
341	T	31.3	Very low	31.1	Very low	136 Å²	136	128.7 Å²	128.7	83%	0.834	79%	0.788	S	S	*	*			cis	-176.5	162.4	4.6	22.9	0	0	0	0	107.4
342	A	30.5	Very low	31.1	Very low	87 Å²	87	126 Å²	126	72%	0.719	78%	0.778	S	S	*	*			cis	-165.1	-154.5	-5.9	0	0	0	0	0	110.1
343	D	31.4	Very low	30.4	Very low	150 Å²	150	127.1 Å²	127.1	80%	0.802	78%	0.777	S	S	*	*			trans	-46.9	167	177.7	-72.2	-61.2	0	0	0	120.3
344	E	29.7	Very low	30.4	Very low	158 Å²	158	132.3 Å²	132.3	74%	0.738	78%	0.783	S	S	*	*			cis	-147.8	161.9	13.9	-143.7	-161.8	106.6	0	0	115.5
345	T	28.8	Very low	30.8	Very low	116 Å²	116	129.6 Å²	129.6	71%	0.712	78%	0.775	S	S	*	*			trans	55.6	113.2	153.5	22.4	0	0	0	0	123.8
346	E	26.2	Very low	30.7	Very low	151 Å²	151	135.5 Å²	135.5	71%	0.706	78%	0.783	S	S	*	*			trans	-78.5	-168	151.9	-130.1	-136.6	121.8	0	0	109.8	L348	E346-L348 PolarHBondContact OE1-N 2.96Å
347	P	39.6	Very low	30.5	Very low	110 Å²	110	132.4 Å²	132.4	71%	0.714	78%	0.778	S	S	*	*			cis	-141.6	168.6	18.7	46.6	-27.8	0	0	0	119.8
348	L	35.7	Very low	30.6	Very low	142 Å²	142	136.4 Å²	136.4	74%	0.743	78%	0.78	S	S	*	*			trans	-76.2	178.5	152.5	-71	164	0	0	0	110.8	E346	E346-L348 PolarHBondContact OE1-N 2.96Å
349	P	36.4	Very low	30.3	Very low	126 Å²	126	133.4 Å²	133.4	82%	0.818	77%	0.773	S	S	*	*				-149.8	172.4	93.2	38.4	-21.2	0	0	0	115
350	A	40.6	Very low	31	Very low	98 Å²	98	134.8 Å²	134.8	81%	0.81	77%	0.774	S	S	*	*			trans	-137	128	160.9	0	0	0	0	0	109.6
351	E	26.6	Very low	30.7	Very low	176 Å²	176	134.6 Å²	134.6	82%	0.822	78%	0.78	S	S	*	*			trans	-164.5	163.2	-179.4	-90	-122.7	102.4	0	0	108.4
352	T	26.7	Very low	30.6	Very low	97 Å²	97	133.1 Å²	133.1	60%	0.595	78%	0.782	S	S	*	*			cis	-163.8	159.6	-28.6	-96.8	0	0	0	0	108.3
353	N	24.9	Very low	30.4	Very low	140 Å²	140	133 Å²	133	75%	0.749	78%	0.781	S	S	*	*			trans	-44.3	136.6	-177.4	-47.2	-85	0	0	0	116.8
354	K	27.4	Very low	30	Very low	201 Å²	201	132.4 Å²	132.4	87%	0.874	78%	0.782	S	S	*	*				178.2	164.8	104.9	-97.5	178	-179.4	-179.7	0	113.7
355	P	35.3	Very low	30.7	Very low	115 Å²	115	130.3 Å²	130.3	75%	0.747	78%	0.782	S	S	*	*			trans	-104.4	155	-173.2	38.9	-33.2	0	0	0	114.9
356	E	23.5	Very low	31.5	Very low	197 Å²	197	130 Å²	130	92%	0.921	78%	0.782	S	S	*	*			trans	-139.1	160.5	159.1	-70.7	-165.8	144.1	0	0	110.6
357	T	26.5	Very low	31.5	Very low	130 Å²	130	130.6 Å²	130.6	80%	0.798	79%	0.789	S	S	*	*			trans	-128.3	137.6	177.9	-49.4	0	0	0	0	105.3
358	E	31.8	Very low	31.6	Very low	176 Å²	176	131 Å²	131	82%	0.822	79%	0.792	S	S	*	*				-167	-179.3	60.2	-164	163.6	-116.6	0	0	112.8
359	S	25.6	Very low	31.1	Very low	107 Å²	107	128.2 Å²	128.2	75%	0.748	79%	0.79	S	S	*	*			trans	94.7	148.8	167.8	85.8	0	0	0	0	116.7
360	P	40.2	Very low	30.7	Very low	129 Å²	129	127.6 Å²	127.6	84%	0.838	79%	0.788	S	S	*	*				-132.3	147.9	-71.4	32.8	-17.8	0	0	0	114.8
361	G	26.8	Very low	29.9	Very low	85 Å²	85	131.8 Å²	131.8	88%	0.876	79%	0.791	S	S	*	*			trans	-172.5	118.5	170.7	0	0	0	0	0	114
362	A	28.3	Very low	29.8	Very low	104 Å²	104	131.1 Å²	131.1	86%	0.86	79%	0.788	S	S	*	*			trans	-122	157.6	-178.3	0	0	0	0	0	110.7
363	A	25.9	Very low	29.9	Very low	85 Å²	85	132.6 Å²	132.6	70%	0.702	79%	0.791	S	S	*	*			cis	-169.2	151.1	-19.1	0	0	0	0	0	110.4
364	V	24.3	Very low	30	Very low	137 Å²	137	134.7 Å²	134.7	83%	0.83	79%	0.794	S	S	*	*				33.3	142.5	128	-174.6	0	0	0	0	119.6
365	P	43.6	Very low	29.9	Very low	115 Å²	115	133.1 Å²	133.1	75%	0.747	79%	0.789	S	S	*	*			cis	-130.6	-129.5	5.5	27.7	0.4	0	0	0	114.6
366	P	45.3	Very low	29.5	Very low	109 Å²	109	131.8 Å²	131.8	71%	0.708	79%	0.788	S	S	*	*				-124.2	-170.1	-94	40.8	-23.3	0	0	0	117.2
367	L	27.7	Very low	29.6	Very low	163 Å²	163	127 Å²	127	85%	0.853	78%	0.782	S	S	*	*			trans	-6.8	151.3	157.7	-54.9	173.7	0	0	0	119.1
368	P	40.6	Very low	29.6	Very low	119 Å²	119	125.2 Å²	125.2	77%	0.773	78%	0.78	S	S	*	*			cis	-152.6	-167.7	35.6	45.2	-23.4	0	0	0	118.1
369	A	26.3	Very low	29.2	Very low	84 Å²	84	122.4 Å²	122.4	69%	0.694	78%	0.779	S	S	*	*			trans	23	131	147.9	0	0	0	0	0	125.4
370	S	26.1	Very low	29.3	Very low	113 Å²	113	123 Å²	123	79%	0.79	78%	0.783	S	S	*	*			trans	68.8	146.6	133.9	61.5	0	0	0	0	124.5
371	E	24.9	Very low	28.9	Very low	185 Å²	185	121 Å²	121	86%	0.864	78%	0.777	S	S	*	*			trans	86.9	121.4	162.1	-63.1	-167.3	158.8	0	0	122.7
372	E	25.3	Very low	29	Very low	162 Å²	162	125.6 Å²	125.6	76%	0.757	78%	0.776	S	S	*	*			trans	48.7	113.8	144.5	-59.6	-147.7	139.9	0	0	126.4
373	I	28.6	Very low	29	Very low	129 Å²	129	127.4 Å²	127.4	66%	0.662	77%	0.77	S	S	*	*				59.1	122.5	119.5	-59.9	163.8	0	0	0	121.1
374	K	25.3	Very low	29.2	Very low	184 Å²	184	130 Å²	130	80%	0.8	78%	0.777	S	S	*	*			trans	178.7	163.2	137.8	-99.7	147.6	-176.2	168.2	0	111.1
375	Q	26.5	Very low	29.4	Very low	167 Å²	167	127 Å²	127	78%	0.78	77%	0.774	S	S	*	*			cis	-177.9	159.8	-30.4	-103.8	-164.5	-53.3	0	0	106.1
376	A	25.6	Very low	28.8	Very low	88 Å²	88	130.9 Å²	130.9	73%	0.727	78%	0.779	S	S	*	*			cis	-168.4	154.9	-18	0	0	0	0	0	110.3
377	A	26.1	Very low	28.1	Very low	96 Å²	96	132 Å²	132	79%	0.793	78%	0.784	S	S	*	*			trans	-145.1	112.6	161.9	0	0	0	0	0	107.7
378	A	25.9	Very low	28	Very low	92 Å²	92	131.7 Å²	131.7	76%	0.76	78%	0.783	S	S	*	*				77.7	125.3	75.4	0	0	0	0	0	113
379	C	24.3	Very low	27.7	Very low	118 Å²	118	130.6 Å²	130.6	80%	0.797	78%	0.779	S	S	*	*			cis	-163.7	146.4	0	-113.2	0	0	0	0	113.3
380	S	28.8	Very low	28.5	Very low	120 Å²	120	132 Å²	132	84%	0.839	78%	0.781	S	S	*	*			trans	48.5	150.8	140.5	-80	0	0	0	0	123.4
381	A	29.9	Very low	28.8	Very low	85 Å²	85	132.1 Å²	132.1	70%	0.702	78%	0.781	S	S	*	*			cis	-166.4	-176.4	-0.3	0	0	0	0	0	112.7
382	Q	29.3	Very low	29.4	Very low	183 Å²	183	135.1 Å²	135.1	86%	0.855	79%	0.785	S	S	*	*			trans	83.1	139.3	168.4	-63.9	-162.6	-20.8	0	0	118.1
383	L	28.2	Very low	29.8	Very low	142 Å²	142	138.8 Å²	138.8	74%	0.743	79%	0.792	S	S	*	*			cis	-159.1	140.6	-16.2	-155.9	84.5	0	0	0	112.5
384	V	29.8	Very low	30	Very low	139 Å²	139	141.2 Å²	141.2	84%	0.842	80%	0.797	S	S	*	*			trans	42	126.4	151.3	169.2	0	0	0	0	122.5
385	G	29.2	Very low	30.2	Very low	74 Å²	74	137.3 Å²	137.3	76%	0.763	79%	0.785	S	S	*	*			trans	-171	146.7	156.5	0	0	0	0	0	111.4
386	K	31.8	Very low	30.6	Very low	196 Å²	196	137.2 Å²	137.2	85%	0.852	78%	0.782	S	S	*	*			trans	-127.3	142.4	-175.4	-85.2	-174.1	174.1	-179.1	0	112.7
387	T	30.1	Very low	31	Very low	134 Å²	134	142.5 Å²	142.5	82%	0.822	78%	0.783	S	S	*	*			trans	53.8	136.8	155.1	52.3	0	0	0	0	117.3
388	D	25.3	Very low	31.3	Very low	155 Å²	155	143.6 Å²	143.6	83%	0.829	79%	0.785	S	S	*	*			cis	-161.8	-178.2	35.3	-162.2	-0.4	0	0	0	110.9
389	S	33.7	Very low	32.2	Very low	97 Å²	97	147.7 Å²	147.7	68%	0.678	78%	0.781	S	S	*	*			trans	-104.1	-172	168.8	-64.5	0	0	0	0	110.3
390	P	44.3	Very low	32.6	Very low	114 Å²	114	150.8 Å²	150.8	74%	0.74	78%	0.783	S	S	*	*			cis	-140.7	-169.2	0.2	43.1	-23.9	0	0	0	116.5
391	S	31.1	Very low	32.9	Very low	114 Å²	114	153.4 Å²	153.4	80%	0.797	79%	0.787	S	S	*	*			trans	95.2	129.2	145.5	81	0	0	0	0	121.2
392	R	38.3	Very low	32.9	Very low	248 Å²	248	152.9 Å²	152.9	94%	0.936	79%	0.79	S	S	*	*			trans	-124.8	100.6	168.3	-72.3	174.6	72.4	-174.9	4.6	110.7
393	R	32.9	Very low	33.2	Very low	240 Å²	240	148.6 Å²	148.6	91%	0.906	79%	0.786	S	S	*	*			trans	-154.9	145.1	164.9	-65.2	-168.9	177	171.7	-0	106.7
394	K	33.2	Very low	33.8	Very low	180 Å²	180	149.1 Å²	149.1	78%	0.783	79%	0.789	S	S	*	*			cis	-164.5	151.3	2.6	-144.8	178.6	-178.3	176.3	0	108.7
395	D	30	Very low	34.4	Very low	101 Å²	101	145.4 Å²	145.4	54%	0.54	78%	0.779	S	S	.	*				147.7	127.1	122.1	-88.8	-19.1	0	0	0	119
396	K	35.2	Very low	35.1	Very low	165 Å²	165	147.2 Å²	147.2	72%	0.717	78%	0.775	S	S	*	*			trans	61.5	86.5	130.4	-58.8	163	-170.8	149.1	0	121.2
397	R	33.5	Very low	35.9	Very low	199 Å²	199	146.2 Å²	146.2	75%	0.751	77%	0.767	S	S	*	*				49.6	122.2	107.7	179.4	-178.6	174.5	167.8	-2.2	119	R399	R397-R399 HydrophobicContact CG-CG 4.46Å
398	S	32.5	Very low	36.4	Very low	119 Å²	119	147 Å²	147	83%	0.832	77%	0.766	S	S	*	*				-119	151.3	129.6	-167.5	0	0	0	0	109.8
399	R	46.1	Very low	37.5	Very low	179 Å²	179	146.1 Å²	146.1	68%	0.675	76%	0.761	S	S	*	*			trans	-128	152.9	165.6	-71.9	-174.6	179.1	174.9	-3.7	106.1	R397	R397-R399 HydrophobicContact CG-CG 4.46Å
400	H	31.8	Very low	38.3	Very low	182 Å²	182	145.5 Å²	145.5	84%	0.843	75%	0.75	S	S	*	*			trans	176.7	126.8	132.7	-99.5	66.9	0	0	0	109.8
401	L	35	Very low	38.7	Very low	176 Å²	176	144.9 Å²	144.9	92%	0.921	74%	0.74	S	S	*	*	S	Bend	trans	67.3	116	172.9	-51.2	179	0	0	0	116
402	G	29.5	Very low	39.8	Very low	73 Å²	73	145.2 Å²	145.2	75%	0.753	74%	0.737	S	S	*	*			trans	112.3	125.5	-172.2	0	0	0	0	0	111.6
403	A	35	Very low	40.5	Very low	94 Å²	94	140.6 Å²	140.6	78%	0.777	73%	0.731	S	S	*	*			trans	-145.9	96.4	154.1	0	0	0	0	0	102.8
404	D	41.9	Very low	41.4	Very low	152 Å²	152	133 Å²	133	81%	0.813	71%	0.707	S	S	*	*				64.4	104.2	77.9	-59.9	-25.5	0	0	0	109.2
405	G	42.3	Very low	42.5	Very low	62 Å²	62	130.1 Å²	130.1	64%	0.639	70%	0.7	S	S	*	*	P	Polyproline II helix	trans	-76.8	144.8	179.2	0	0	0	0	0	111.4
406	V	44	Very low	43.6	Very low	111 Å²	111	130.3 Å²	130.3	67%	0.673	71%	0.707	S	S	*	*	P	Polyproline II helix	trans	-71.9	126.4	173.2	-176.3	0	0	0	0	108.5	D410	V406-D410 HydrophobicContact CG1-CB 3.58Å
407	Y	48.9	Very low	44.5	Very low	176 Å²	176	130.6 Å²	130.6	69%	0.69	71%	0.711	S	S	*	*	P	Polyproline II helix	trans	-87	163	174.6	-81.8	-98.3	0	0	0	110.6	D409 D410	Y407-D409 PolarHBondContact O-N 2.87Å; Y407-D410 PolarHBondContact N-OD2 2.89Å; Y407-D410 WeakPolarHBondContact O-CB 3.49Å; Y407-D410 PolarHBondContact O-N 2.81Å
408	L	40.3	Very low	45.6	Very low	150 Å²	150	124.4 Å²	124.4	79%	0.785	70%	0.695	S	S	*	*	G	3₁₀ helix	trans	-61.9	-24.6	-177.6	-90	154.9	0	0	0	113.3	L411	L408-L411 HydrophobicContact CD2-CD1 4.02Å
409	D	47.3	Very low	46.7	Very low	137 Å²	137	120.2 Å²	120.2	73%	0.733	67%	0.667	S	S	*	*	G	3₁₀ helix	trans	-76.5	-18.6	177	-52.2	-57	0	0	0	113.3	Y407 L411 T412	Y407-D409 PolarHBondContact O-N 2.87Å; D409-L411 VanDerWaalsContact C-N 3.26Å; D409-L411 PolarHBondContact O-N 3.3Å; D409-T412 PolarHBondContact O-OG1 2.89Å
410	D	50.6	Low	47.1	Very low	84 Å²	84	113.8 Å²	113.8	45%	0.449	65%	0.653	S	S	.	*	G	3₁₀ helix	trans	-77.1	-12.4	178	-63.8	-51.2	0	0	0	112.6	V406 Y407 T412	V406-D410 HydrophobicContact CG1-CB 3.58Å; Y407-D410 PolarHBondContact N-OD2 2.89Å; Y407-D410 WeakPolarHBondContact O-CB 3.49Å; Y407-D410 PolarHBondContact O-N 2.81Å; D410-T412 VanDerWaalsContact C-N 3.34Å; D410-T412 PolarHBondContact O-N 2.74Å
411	L	54.1	Low	48.1	Very low	100 Å²	100	112 Å²	112	52%	0.524	65%	0.649	S	S	.	*	G	3₁₀ helix	trans	-74.1	-19.3	-174.6	-87	159.5	0	0	0	114.2	L408 D409	L408-L411 HydrophobicContact CD2-CD1 4.02Å; D409-L411 VanDerWaalsContact C-N 3.26Å; D409-L411 PolarHBondContact O-N 3.3Å
412	T	53.8	Low	48.3	Very low	121 Å²	121	112.5 Å²	112.5	74%	0.742	64%	0.639	S	S	*	*	G	3₁₀ helix	trans	-80.5	-20.8	178.1	45.1	0	0	0	0	113.9	D409 D410	D409-T412 PolarHBondContact O-OG1 2.89Å; D410-T412 VanDerWaalsContact C-N 3.34Å; D410-T412 PolarHBondContact O-N 2.74Å
413	D	53.2	Low	49	Very low	151 Å²	151	115.8 Å²	115.8	81%	0.807	63%	0.634	S	S	*	*	S	Bend	trans	-99.8	7.9	-174	-78.4	13.5	0	0	0	113.3
414	M	50.6	Low	49.1	Very low	82 Å²	82	117.3 Å²	117.3	40%	0.404	64%	0.635	S	S	.	*	S	Bend	trans	-84	132.7	178.7	-78.3	-159.3	66.2	0	0	113.5	V418	M414-V418 HydrophobicContact CE-CB 4.04Å; M414-V418 HydrophobicContact CE-CG1 3.63Å
415	D	56	Low	48.9	Very low	119 Å²	119	118.9 Å²	118.9	64%	0.636	64%	0.635	S	S	*	*			trans	-55.9	128	171.6	-112.6	-42.5	0	0	0	111.1	E417 V418 A419	D415-E417 PolarHBondContact O-N 3.25Å; D415-E417 VanDerWaalsContact O-N 3.11Å; D415-V418 HydrophobicContact CB-CG2 4.12Å; D415-V418 PolarHBondContact O-N 2.87Å; D415-A419 PolarHBondContact O-N 3.28Å
416	P	55	Low	48.4	Very low	104 Å²	104	124 Å²	124	68%	0.675	65%	0.647	S	S	*	*	H	α-helix	trans	-66.3	-20.5	-170	24.8	-34.5	0	0	0	113.8	A420	P416-A420 PolarHBondContact O-N 3.06Å
417	E	52.7	Low	47.9	Very low	172 Å²	172	122.2 Å²	122.2	80%	0.804	65%	0.652	S	S	*	*	H	α-helix	trans	-74.9	-27.7	174.7	-162.6	167.3	-126.6	0	0	112.3	D415	D415-E417 PolarHBondContact O-N 3.25Å; D415-E417 VanDerWaalsContact O-N 3.11Å
418	V	56.5	Low	47.3	Very low	68 Å²	68	121.7 Å²	121.7	41%	0.412	66%	0.661	S	S	.	*	H	α-helix	trans	-80.3	-40	174.9	-174	0	0	0	0	110.8	M414 D415 A420 L421	M414-V418 HydrophobicContact CE-CB 4.04Å; M414-V418 HydrophobicContact CE-CG1 3.63Å; D415-V418 HydrophobicContact CB-CG2 4.12Å; D415-V418 PolarHBondContact O-N 2.87Å; V418-A420 PolarHBondContact O-N 2.9Å; V418-L421 WeakPolarHBondContact O-CB 3.36Å; V418-L421 PolarHBondContact O-N 3.05Å; V418-L421 VanDerWaalsContact O-N 3.13Å
419	A	55.5	Low	46.8	Very low	31 Å²	31	120.6 Å²	120.6	26%	0.256	66%	0.656	S	S	.	*	H	α-helix	trans	-59.2	-34.5	174.4	0	0	0	0	0	112.2	D415 L421 Y422 F423	D415-A419 PolarHBondContact O-N 3.28Å; A419-L421 PolarHBondContact O-N 2.86Å; A419-L421 VanDerWaalsContact O-N 3.14Å; A419-Y422 PolarHBondContact O-N 2.82Å; A419-F423 WeakPolarHBondContact O-CD2 3.43Å; A419-F423 PolarHBondContact O-N 3.45Å
420	A	55.8	Low	46	Very low	45 Å²	45	121 Å²	121	37%	0.372	66%	0.663	S	S	.	*	T	Hydrogen-bonded Turn	trans	-62.6	-16.6	177.2	0	0	0	0	0	114.7	P416 V418 Y422	P416-A420 PolarHBondContact O-N 3.06Å; V418-A420 PolarHBondContact O-N 2.9Å; A420-Y422 VanDerWaalsContact C-N 3.32Å
421	L	51.7	Low	45.1	Very low	145 Å²	145	124.9 Å²	124.9	76%	0.759	68%	0.679	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.1	-15.5	173.7	-63.7	173	0	0	0	113.4	V418 A419	V418-L421 WeakPolarHBondContact O-CB 3.36Å; V418-L421 PolarHBondContact O-N 3.05Å; V418-L421 VanDerWaalsContact O-N 3.13Å; A419-L421 PolarHBondContact O-N 2.86Å; A419-L421 VanDerWaalsContact O-N 3.14Å
422	Y	38.8	Very low	43.8	Very low	185 Å²	185	125.3 Å²	125.3	73%	0.725	69%	0.69	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.3	-14.1	-178.1	-73.6	-88.9	0	0	0	113.9	A419 A420	A419-Y422 PolarHBondContact O-N 2.82Å; A420-Y422 VanDerWaalsContact C-N 3.32Å
423	F	45.2	Very low	42.7	Very low	143 Å²	143	127.6 Å²	127.6	63%	0.627	69%	0.69	S	S	*	*	S	Bend	trans	-122	102.5	179	-63.5	-74.4	0	0	0	111.7	A419 K425	A419-F423 WeakPolarHBondContact O-CD2 3.43Å; A419-F423 PolarHBondContact O-N 3.45Å; F423-K425 PolarHBondContact O-N 3.16Å
424	P	38	Very low	41.5	Very low	126 Å²	126	126.7 Å²	126.7	82%	0.818	69%	0.685	S	S	*	*	P	Polyproline II helix	trans	-61.3	120.3	172	-20.9	33.1	0	0	0	110.6	N426	P424-N426 PolarHBondContact O-N 2.85Å
425	K	36.4	Very low	40.4	Very low	185 Å²	185	128.4 Å²	128.4	80%	0.804	70%	0.7	S	S	*	*	P	Polyproline II helix	trans	-79.2	120.7	178.5	-67.5	-177.7	179	178.2	0	110.6	F423	F423-K425 PolarHBondContact O-N 3.16Å
426	N	33.1	Very low	39.1	Very low	168 Å²	168	129.9 Å²	129.9	90%	0.898	71%	0.708	S	S	*	*	P	Polyproline II helix	trans	-64.8	140.8	157.1	-71.4	4	0	0	0	108.5	P424	P424-N426 PolarHBondContact O-N 2.85Å
427	G	31.7	Very low	37.9	Very low	75 Å²	75	130.8 Å²	130.8	77%	0.773	71%	0.707	S	S	*	*			trans	-130.8	134.9	176.1	0	0	0	0	0	110.1
428	D	36.3	Very low	36.7	Very low	164 Å²	164	129.9 Å²	129.9	88%	0.877	71%	0.708	S	S	*	*			trans	-142	149.7	-176.3	-135	-28.5	0	0	0	110.7
429	N	30.4	Very low	35.5	Very low	128 Å²	128	129.9 Å²	129.9	68%	0.684	72%	0.721	S	S	*	*			trans	64.7	120.9	164.6	-157.5	5	0	0	0	120.6
430	V	29.8	Very low	34.9	Very low	145 Å²	145	134 Å²	134	88%	0.879	75%	0.746	S	S	*	*			trans	-142.2	136.9	157.3	178.6	0	0	0	0	108.5
431	Q	31.9	Very low	33.6	Very low	165 Å²	165	143.4 Å²	143.4	77%	0.771	77%	0.771	S	S	*	*			trans	-122.2	144.5	178.5	-79.6	-167.6	-13.3	0	0	113.7
432	S	27.3	Very low	32.5	Very low	109 Å²	109	141.6 Å²	141.6	76%	0.762	77%	0.771	S	S	*	*			trans	68.1	141.3	154.3	-140.3	0	0	0	0	116.3
433	K	31.5	Very low	32	Very low	170 Å²	170	137.1 Å²	137.1	74%	0.739	77%	0.772	S	S	*	*			cis	-168.8	142.2	37	-165.9	167.8	-174.5	177.6	0	111.5
434	N	28	Very low	31.4	Very low	131 Å²	131	135.5 Å²	135.5	70%	0.701	78%	0.779	S	S	*	*			trans	51.5	135.8	156.8	-63.9	15.3	0	0	0	118.9
435	T	27.8	Very low	30.9	Very low	119 Å²	119	138.3 Å²	138.3	73%	0.73	78%	0.781	S	S	*	*			cis	-163.1	-171.8	8.7	6.2	0	0	0	0	107.2
436	N	28	Very low	30.5	Very low	150 Å²	150	134.8 Å²	134.8	80%	0.802	78%	0.78	S	S	*	*			cis	-147.8	-139.5	19.3	-154.8	52.5	0	0	0	113.1
437	D	29.7	Very low	30.5	Very low	122 Å²	122	133 Å²	133	65%	0.652	78%	0.777	S	S	*	*			trans	-108.2	130.6	-160.8	-175.2	18.9	0	0	0	115.5
438	N	28.1	Very low	30.3	Very low	154 Å²	154	137.5 Å²	137.5	82%	0.824	78%	0.778	S	S	*	*				166.7	136.6	129.3	-93.7	-75.3	0	0	0	110.4
439	G	29.7	Very low	30.1	Very low	67 Å²	67	133.6 Å²	133.6	69%	0.691	76%	0.764	S	S	*	*			trans	-118.7	-156.5	179.2	0	0	0	0	0	113.7
440	P	43.3	Very low	30.1	Very low	118 Å²	118	137.1 Å²	137.1	77%	0.766	77%	0.773	S	S	*	*			cis	-134.5	153	-26.8	38.2	-24.7	0	0	0	113.3
441	R	29.9	Very low	29.9	Very low	242 Å²	242	134.1 Å²	134.1	91%	0.913	77%	0.772	S	S	*	*			trans	176.2	150	146.1	-100.1	148.9	-171.3	174.8	2.9	115.7
442	S	28.5	Very low	30.1	Very low	108 Å²	108	131.6 Å²	131.6	76%	0.755	77%	0.772	S	S	*	*			trans	46.3	101.3	146.7	-55.9	0	0	0	0	122.7
443	A	28.3	Very low	30.4	Very low	90 Å²	90	132 Å²	132	74%	0.744	78%	0.775	S	S	*	*				54.5	123.7	118.1	0	0	0	0	0	123
444	S	30.9	Very low	30.6	Very low	110 Å²	110	127.5 Å²	127.5	77%	0.769	78%	0.776	S	S	*	*			trans	88.7	159.5	138.4	81.5	0	0	0	0	121
445	Q	28.8	Very low	31.3	Very low	184 Å²	184	127.9 Å²	127.9	86%	0.86	78%	0.784	S	S	*	*			trans	79.7	138.5	172.6	-53	-164.8	12.3	0	0	118.7
446	S	27.9	Very low	31.6	Very low	112 Å²	112	129.2 Å²	129.2	78%	0.783	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-94.3	144.8	177.9	-48.3	0	0	0	0	110.6
447	P	32	Very low	32	Very low	129 Å²	129	127.4 Å²	127.4	84%	0.838	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-76.6	140	167.4	31.6	-32.4	0	0	0	111.2
448	Q	28.8	Very low	32.4	Very low	171 Å²	171	125.1 Å²	125.1	80%	0.799	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-92.2	162.1	163.4	-69.6	-172.3	-23.4	0	0	110.8
449	S	31.3	Very low	32.7	Very low	82 Å²	82	125.1 Å²	125.1	57%	0.573	80%	0.796	S	S	*	*			trans	64	170	148.1	56.3	0	0	0	0	116.9
450	F	30	Very low	32.8	Very low	202 Å²	202	130.9 Å²	130.9	89%	0.886	80%	0.804	S	S	*	*			cis	-134.5	174.1	11.2	-76.8	-85.2	0	0	0	112.5
451	G	27	Very low	32.3	Very low	82 Å²	82	131 Å²	131	85%	0.845	81%	0.809	S	S	*	*			trans	-173.1	42	172.6	0	0	0	0	0	115.2
452	S	35.1	Very low	32.3	Very low	112 Å²	112	126 Å²	126	78%	0.783	81%	0.805	S	S	*	*			trans	-96.4	144.5	178.1	-171.6	0	0	0	0	112.3
453	S	34.1	Very low	32.4	Very low	117 Å²	117	125.8 Å²	125.8	82%	0.818	80%	0.803	S	S	*	*			trans	-65.2	143.2	169.1	52.9	0	0	0	0	111.8
454	G	35.8	Very low	32.5	Very low	75 Å²	75	128.9 Å²	128.9	77%	0.773	81%	0.807	S	S	*	*			trans	-107.1	147.8	179.2	0	0	0	0	0	114.8
455	V	42.2	Very low	32.7	Very low	140 Å²	140	127.4 Å²	127.4	85%	0.848	81%	0.809	S	S	*	*			trans	-152	108.3	148.2	-86.4	0	0	0	0	103.8
456	D	34.1	Very low	32.8	Very low	146 Å²	146	124.6 Å²	124.6	78%	0.781	80%	0.799	S	S	*	*				56.5	92.2	89.3	-171	1	0	0	0	113.7
457	S	37.1	Very low	33.2	Very low	113 Å²	113	129.4 Å²	129.4	79%	0.79	80%	0.8	S	S	*	*				167.2	137.6	115.6	-93.7	0	0	0	0	109
458	G	37.1	Very low	33.5	Very low	73 Å²	73	130.6 Å²	130.6	75%	0.753	80%	0.799	S	S	*	*			trans	-137.8	166.3	-171	0	0	0	0	0	114.7
459	V	34.1	Very low	34.1	Very low	155 Å²	155	124.7 Å²	124.7	94%	0.939	77%	0.772	S	S	*	*			trans	-152.9	161.5	158.6	-95	0	0	0	0	108.5
460	E	33.2	Very low	35	Very low	187 Å²	187	125.3 Å²	125.3	87%	0.874	77%	0.774	S	S	*	*			trans	-82	147.9	-166.8	-52.9	167.8	119.2	0	0	113.7
461	S	31.3	Very low	36.7	Very low	122 Å²	122	119.9 Å²	119.9	85%	0.853	76%	0.762	S	S	*	*				-176.7	155.9	119.6	-82.3	0	0	0	0	113.3
462	V	30.3	Very low	39.5	Very low	137 Å²	137	119.1 Å²	119.1	83%	0.83	74%	0.738	S	S	*	*			trans	-91.3	156.9	-167.6	-164.5	0	0	0	0	112.4
463	S	31.3	Very low	42	Very low	103 Å²	103	114.6 Å²	114.6	72%	0.72	71%	0.707	S	S	*	*			trans	117.1	117.6	145.6	-53.3	0	0	0	0	118.5
464	D	30.6	Very low	44.7	Very low	154 Å²	154	111.1 Å²	111.1	82%	0.824	68%	0.681	S	S	*	*			trans	47.6	86.6	140.2	-58.1	-10.3	0	0	0	121.9
465	G	35.1	Very low	47.4	Very low	79 Å²	79	107.6 Å²	107.6	81%	0.814	64%	0.644	S	S	*	*				78.4	64.2	93.5	0	0	0	0	0	121
466	I	29.7	Very low	49.6	Very low	126 Å²	126	103.4 Å²	103.4	65%	0.646	62%	0.617	S	S	*	*			trans	-122.7	112.3	149.5	-66.6	87.5	0	0	0	111.2	K488	I466-K488 PolarHBondContact O-NZ 3.12Å
467	R	36.3	Very low	52	Low	213 Å²	213	97.9 Å²	97.9	80%	0.804	59%	0.589	S	S	*	*			trans	14.9	110.4	160.1	-60.8	-178.6	-175.5	-177.9	2.1	115.5	K488	R467-K488 PolarHBondContact O-NZ 2.74Å
468	D	40	Very low	54.1	Low	154 Å²	154	92.8 Å²	92.8	82%	0.824	55%	0.554	S	S	*	*	P	Polyproline II helix	trans	-79.2	141.1	161.1	-146.1	4.4	0	0	0	109.4
469	L	41	Very low	55.9	Low	46 Å²	46	90.3 Å²	90.3	24%	0.241	53%	0.529	C	S	.	.	P	Polyproline II helix	trans	-95	159.7	-174.7	-98.3	65.7	0	0	0	111	A473 F491 L492	L469-A473 HydrophobicContact CD2-CB 3.98Å; L469-F491 HydrophobicContact CD2-CE1 4.44Å; L469-L492 HydrophobicContact CD1-CD2 3.64Å; L469-L492 HydrophobicContact CD2-CD2 3.57Å; L469-L492 HydrophobicContact CG-CD2 4.25Å
470	P	49.3	Very low	57.7	Low	95 Å²	95	84.6 Å²	84.6	62%	0.617	49%	0.493	S	S	*	.	P	Polyproline II helix	trans	-52.8	151.1	164	25.2	-34.7	0	0	0	110.6	I472	P470-I472 PolarHBondContact O-N 3.03Å
471	S	66.2	Low	59.1	Low	89 Å²	89	80.3 Å²	80.3	62%	0.622	48%	0.48	S	S	*	.	S	Bend	trans	-62.3	-9.9	-173.8	55.4	0	0	0	0	114.9	G518	S471-G518 PolarHBondContact O-N 3.39Å
472	I	85.5	Confident	60.3	Low	65 Å²	65	78.5 Å²	78.5	33%	0.333	46%	0.461	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	131.3	171.7	-62.2	154	0	0	0	107.7	P470 K516 I517 L531 M534	P470-I472 PolarHBondContact O-N 3.03Å; I472-K516 VanDerWaalsContact CA-O 3.31Å; I472-K516 WeakPolarHBondContact CA-O 3.46Å; I472-I517 HydrophobicContact CG1-CG2 4.31Å; I472-L531 HydrophobicContact CB-CD2 4.41Å; I472-L531 HydrophobicContact CD1-CD2 3.56Å; I472-L531 HydrophobicContact CG1-CD2 3.73Å; I472-L531 HydrophobicContact CG2-CD1 4.36Å; I472-L531 HydrophobicContact CG2-CD2 3.74Å; I472-M534 HydrophobicContact CD1-CE 4.21Å
473	A	87.6	Confident	61.6	Low	17 Å²	17	77.2 Å²	77.2	14%	0.14	45%	0.449	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	161.7	175.5	0	0	0	0	0	111.3	L469 F491 V515 K516	L469-A473 HydrophobicContact CD2-CB 3.98Å; A473-F491 HydrophobicContact CB-CE1 4.03Å; A473-F491 HydrophobicContact CB-CZ 4.1Å; A473-V515 CarbonylContact O-C 3.54Å; A473-V515 WeakPolarHBondContact O-CA 3.39Å; A473-K516 HydrophobicContact CB-CB 4.38Å; A473-K516 PolarHBondContact N-O 3.16Å; A473-K516 PolarHBondContact O-N 3.31Å
474	V	91.3	Very high	63.1	Low	45 Å²	45	78.1 Å²	78.1	27%	0.273	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	144.8	-179.1	-79.4	0	0	0	0	111.3	V496 L513 V514 V515	V474-V496 HydrophobicContact CG2-CB 4.02Å; V474-V496 PolarHBondContact O-N 3.13Å; V474-L513 HydrophobicContact CB-CD1 4.19Å; V474-L513 HydrophobicContact CG1-CD1 4.38Å; V474-V514 WeakPolarHBondContact CA-O 3.44Å; V474-V515 HydrophobicContact CG1-CB 4.45Å; V474-V515 HydrophobicContact CG1-CG1 4.11Å; V474-V515 HydrophobicContact CG1-CG2 4.14Å
475	S	92.1	Very high	64.9	Low	0 Å²	0	77.6 Å²	77.6	0%	0	43%	0.433	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	149.8	-178.1	-174.6	0	0	0	0	110.7	C477 F491 H494 A495 V514	S475-C477 VanDerWaalsContact C-N 3.34Å; S475-C477 PolarHBondContact OG-N 3.34Å; S475-F491 VanDerWaalsContact CB-CD2 3.41Å; S475-F491 VanDerWaalsContact CB-O 3.29Å; S475-F491 WeakPolarHBondContact CB-O 3.43Å; S475-F491 PolarHBondContact OG-O 3.44Å; S475-H494 WeakPolarHBondContact CA-O 3.36Å; S475-H494 PolarHBondContact OG-O 2.85Å; S475-H494 VanDerWaalsContact OG-O 3.08Å; S475-A495 PolarHBondContact OG-N 2.8Å; S475-V514 PolarHBondContact N-O 3.21Å; S475-V514 PolarHBondContact O-N 2.79Å
476	L	88.6	Confident	67	Low	53 Å²	53	75.2 Å²	75.2	28%	0.277	40%	0.401	S	S	.	.			trans	-96.7	23.3	175.1	-72.1	171.2	0	0	0	112.7	G478 H494 V496 I507 D510 N512 L513	L476-G478 PolarHBondContact O-N 3.15Å; L476-H494 PolarHBondContact N-O 2.64Å; L476-V496 HydrophobicContact CD1-CG2 4.02Å; L476-V496 HydrophobicContact CG-CG2 3.77Å; L476-I507 HydrophobicContact CD1-CG2 4.34Å; L476-I507 HydrophobicContact CD2-CG2 4.24Å; L476-I507 HydrophobicContact CG-CG2 4.47Å; L476-D510 HydrophobicContact CD2-CB 3.73Å; L476-N512 CarbonylContact C-O 3.56Å; L476-L513 HydrophobicContact CD2-CB 4.27Å; L476-L513 HydrophobicContact CD2-CD1 4.16Å
477	C	84	Confident	69.4	Low	30 Å²	30	71.6 Å²	71.6	20%	0.203	39%	0.385	C	S	.	.			trans	-68.8	-8.1	-177.4	66.3	0	0	0	0	115.5	S475 D490 H494	S475-C477 VanDerWaalsContact C-N 3.34Å; S475-C477 PolarHBondContact OG-N 3.34Å; C477-D490 WeakPolarHBondContact CB-O 3.45Å; C477-H494 HydrophobicContact CB-CB 4.04Å
478	G	82.4	Confident	71.5	Confident	5 Å²	5	64.7 Å²	64.7	5%	0.052	36%	0.361	C	S	.	.			trans	57.7	-142	-180	0	0	0	0	0	114	L476 L480 I486 N512 V514	L476-G478 PolarHBondContact O-N 3.15Å; G478-L480 VanDerWaalsContact C-N 3.27Å; G478-L480 PolarHBondContact O-N 3.24Å; G478-L480 VanDerWaalsContact O-N 3.15Å; G478-I486 WeakPolarHBondContact O-CD1 3.3Å; G478-N512 WeakPolarHBondContact CA-O 3.25Å; G478-N512 PolarHBondContact N-O 2.91Å; G478-V514 VanDerWaalsContact O-CG2 3.24Å; G478-V514 WeakPolarHBondContact O-CG2 3.43Å
479	G	73.7	Confident	73.4	Confident	22 Å²	22	63.2 Å²	63.2	23%	0.227	35%	0.349	C	S	.	.			trans	72.4	3.9	169.3	0	0	0	0	0	116.9	T481	G479-T481 VanDerWaalsContact C-N 3.29Å; G479-T481 PolarHBondContact O-N 2.85Å
480	L	71.3	Confident	75.3	Confident	35 Å²	35	63.4 Å²	63.4	18%	0.183	35%	0.35	C	S	.	.	S	Bend	trans	-72.5	-19.9	175.3	-74.5	173.7	0	0	0	113.7	G478 I486 V514 N523 P555	G478-L480 VanDerWaalsContact C-N 3.27Å; G478-L480 PolarHBondContact O-N 3.24Å; G478-L480 VanDerWaalsContact O-N 3.15Å; L480-I486 HydrophobicContact CD2-CD1 3.57Å; L480-I486 HydrophobicContact CG-CD1 3.82Å; L480-V514 HydrophobicContact CD1-CB 4.49Å; L480-V514 HydrophobicContact CD1-CG1 4.31Å; L480-V514 HydrophobicContact CD1-CG2 3.95Å; L480-V514 HydrophobicContact CG-CG1 4.49Å; L480-V514 HydrophobicContact CG-CG2 4.01Å; L480-N523 HydrophobicContact CD1-CB 3.81Å; L480-P555 HydrophobicContact CB-CG 4.27Å; L480-P555 WeakPolarHBondContact O-CB 3.19Å; L480-P555 WeakPolarHBondContact O-CG 3.34Å
481	T	63.4	Low	77.1	Confident	96 Å²	96	58.9 Å²	58.9	59%	0.589	32%	0.321	S	S	*	.	S	Bend	trans	-77.4	-26.9	176.8	43.4	0	0	0	0	113.3	G479 P555	G479-T481 VanDerWaalsContact C-N 3.29Å; G479-T481 PolarHBondContact O-N 2.85Å; T481-P555 HydrophobicContact CG2-CB 4.24Å; T481-P555 HydrophobicContact CG2-CG 4.15Å
482	D	57	Low	77.9	Confident	85 Å²	85	57.4 Å²	57.4	46%	0.455	31%	0.305	S	S	.	.	S	Bend	trans	-98.7	161.6	-163.7	-50.3	-18.2	0	0	0	110.2	K484	D482-K484 HydrophobicContact CB-CB 4.39Å; D482-K484 PolarHBondContact O-N 2.85Å; D482-K484 VanDerWaalsContact O-N 3.15Å
483	N	57.9	Low	77.9	Confident	109 Å²	109	61.8 Å²	61.8	58%	0.583	32%	0.324	S	S	*	.	S	Bend	trans	-74.8	3.3	174.1	-67.3	-38.1	0	0	0	113.1	G558	N483-G558 PolarHBondContact OD1-N 3.39Å
484	K	62.6	Low	77.8	Confident	122 Å²	122	65.3 Å²	65.3	53%	0.53	34%	0.338	S	S	.	.	S	Bend	trans	-69.6	137.2	171.2	-160.2	-170.1	-174.8	-161.4	0	109.1	D482 D490	D482-K484 HydrophobicContact CB-CB 4.39Å; D482-K484 PolarHBondContact O-N 2.85Å; D482-K484 VanDerWaalsContact O-N 3.15Å; K484-D490 IonicContact NZ-OD2 2.64Å; K484-D490 PolarHBondContact NZ-OD2 3.32Å
485	E	67.4	Low	77.7	Confident	144 Å²	144	64.8 Å²	64.8	67%	0.673	34%	0.338	S	S	*	.			trans	-88.3	130.7	170.9	-54.6	-131.2	113.2	0	0	108.9	T487 K557	E485-T487 PolarHBondContact O-N 2.89Å; E485-T487 VanDerWaalsContact O-N 3.08Å; E485-K557 IonicContact OE1-NZ 3.89Å; E485-K557 PolarHBondContact OE1-NZ 3Å
486	I	79.6	Confident	77.5	Confident	29 Å²	29	65.8 Å²	65.8	15%	0.149	34%	0.344	C	S	.	.			trans	-67.1	109.6	180	-61.2	174.7	0	0	0	108.2	G478 L480 F491 V514 Y521	G478-I486 WeakPolarHBondContact O-CD1 3.3Å; L480-I486 HydrophobicContact CD2-CD1 3.57Å; L480-I486 HydrophobicContact CG-CD1 3.82Å; I486-F491 HydrophobicContact CG2-CB 4.04Å; I486-F491 HydrophobicContact CG2-CD2 4.44Å; I486-V514 HydrophobicContact CD1-CG1 3.92Å; I486-V514 HydrophobicContact CD1-CG2 4.04Å; I486-Y521 HydrophobicContact CB-CD2 4.02Å; I486-Y521 HydrophobicContact CB-CE2 4.18Å; I486-Y521 HydrophobicContact CB-CG 4.47Å; I486-Y521 HydrophobicContact CG2-CD1 4.49Å; I486-Y521 HydrophobicContact CG2-CD2 4.22Å; I486-Y521 HydrophobicContact CG2-CE1 4.41Å; I486-Y521 HydrophobicContact CG2-CE2 4.13Å; I486-Y521 HydrophobicContact CG2-CG 4.4Å; I486-Y521 WeakPolarHBondContact O-CE2 3.41Å
487	T	79.9	Confident	77.5	Confident	50 Å²	50	66.8 Å²	66.8	31%	0.307	35%	0.353	S	S	.	.			trans	-64.7	162.8	175.8	68.1	0	0	0	0	109.8	E485 E489 D490	E485-T487 PolarHBondContact O-N 2.89Å; E485-T487 VanDerWaalsContact O-N 3.08Å; T487-E489 WeakPolarHBondContact CB-OE2 3.42Å; T487-E489 PolarHBondContact O-N 2.77Å; T487-E489 PolarHBondContact OG1-N 3.01Å; T487-D490 VanDerWaalsContact OG1-CB 3.26Å; T487-D490 WeakPolarHBondContact OG1-CB 3.43Å; T487-D490 PolarHBondContact OG1-N 3.41Å; T487-D490 PolarHBondContact OG1-OD1 2.83Å
488	K	80.6	Confident	77.3	Confident	68 Å²	68	74 Å²	74	30%	0.296	38%	0.377	S	S	.	.	H	α-helix	trans	-69.1	-26.2	172.4	179.2	-174.7	173.3	-174.1	0	109.7	I466 R467 L492	I466-K488 PolarHBondContact O-NZ 3.12Å; R467-K488 PolarHBondContact O-NZ 2.74Å; K488-L492 HydrophobicContact CD-CD1 4.46Å; K488-L492 HydrophobicContact CG-CD1 3.9Å; K488-L492 HydrophobicContact CG-CG 4.5Å; K488-L492 WeakPolarHBondContact O-CB 3.3Å; K488-L492 WeakPolarHBondContact O-CD1 3.29Å; K488-L492 WeakPolarHBondContact O-CG 3.33Å; K488-L492 PolarHBondContact O-N 3.17Å
489	E	79.9	Confident	77.4	Confident	122 Å²	122	79.4 Å²	79.4	57%	0.57	40%	0.401	S	S	*	.	H	α-helix	trans	-77.4	-55.9	-171.4	-64.8	58.5	-131.4	0	0	111.2	T487 F491 L492 E493	T487-E489 WeakPolarHBondContact CB-OE2 3.42Å; T487-E489 PolarHBondContact O-N 2.77Å; T487-E489 PolarHBondContact OG1-N 3.01Å; E489-F491 PolarHBondContact O-N 3Å; E489-L492 PolarHBondContact O-N 3.35Å; E489-E493 PolarHBondContact O-N 2.78Å
490	D	80.4	Confident	77.9	Confident	50 Å²	50	83 Å²	83	27%	0.267	41%	0.412	S	S	.	.	H	α-helix	trans	-55.6	-40	176	-61.3	28.2	0	0	0	110.6	C477 K484 T487 H494	C477-D490 WeakPolarHBondContact CB-O 3.45Å; K484-D490 IonicContact NZ-OD2 2.64Å; K484-D490 PolarHBondContact NZ-OD2 3.32Å; T487-D490 VanDerWaalsContact OG1-CB 3.26Å; T487-D490 WeakPolarHBondContact OG1-CB 3.43Å; T487-D490 PolarHBondContact OG1-N 3.41Å; T487-D490 PolarHBondContact OG1-OD1 2.83Å; D490-H494 PolarHBondContact O-N 2.95Å; D490-H494 PolarHBondContact O-ND1 2.96Å; D490-H494 VanDerWaalsContact O-ND1 3.08Å
491	F	86.7	Confident	78.4	Confident	1 Å²	1	85.2 Å²	85.2	0%	0.004	42%	0.42	C	S	.	.	H	α-helix	trans	-66.6	-35.4	176.9	-177.3	-85.3	0	0	0	112.7	L469 A473 S475 I486 E489 A495 V514 K516 Y521	L469-F491 HydrophobicContact CD2-CE1 4.44Å; A473-F491 HydrophobicContact CB-CE1 4.03Å; A473-F491 HydrophobicContact CB-CZ 4.1Å; S475-F491 VanDerWaalsContact CB-CD2 3.41Å; S475-F491 VanDerWaalsContact CB-O 3.29Å; S475-F491 WeakPolarHBondContact CB-O 3.43Å; S475-F491 PolarHBondContact OG-O 3.44Å; I486-F491 HydrophobicContact CG2-CB 4.04Å; I486-F491 HydrophobicContact CG2-CD2 4.44Å; E489-F491 PolarHBondContact O-N 3Å; F491-A495 PolarHBondContact O-N 3.11Å; F491-V514 HydrophobicContact CD2-CB 4.38Å; F491-V514 HydrophobicContact CD2-CG1 4.09Å; F491-V514 HydrophobicContact CE2-CB 4.17Å; F491-V514 HydrophobicContact CE2-CG1 3.91Å; F491-K516 HydrophobicContact CE1-CB 4.11Å; F491-K516 HydrophobicContact CE1-CD 4.2Å; F491-K516 HydrophobicContact CE2-CB 3.92Å; F491-K516 HydrophobicContact CZ-CB 3.49Å; F491-K516 VanDerWaalsContact CZ-CB 3.49Å; F491-K516 HydrophobicContact CZ-CD 4.41Å; F491-Y521 HydrophobicContact CB-CE1 4.27Å; F491-Y521 HydrophobicContact CD1-CE1 4.25Å; F491-Y521 AromaticContact CD2-CD1 3.71Å; F491-Y521 HydrophobicContact CD2-CD1 3.71Å; F491-Y521 AromaticContact CD2-CE1 3.44Å; F491-Y521 HydrophobicContact CD2-CE1 3.44Å; F491-Y521 VanDerWaalsContact CD2-CE1 3.44Å; F491-Y521 AromaticContact CE2-CD1 3.8Å; F491-Y521 HydrophobicContact CE2-CD1 3.8Å; F491-Y521 AromaticContact CE2-CE1 3.79Å; F491-Y521 HydrophobicContact CE2-CE1 3.79Å; F491-Y521 HydrophobicContact CG-CD1 4.43Å; F491-Y521 AromaticContact CG-CE1 3.71Å; F491-Y521 HydrophobicContact CG-CE1 3.71Å; F491-Y521 HydrophobicContact CZ-CE1 4.34Å
492	L	84.1	Confident	79.3	Confident	57 Å²	57	84.3 Å²	84.3	30%	0.298	41%	0.414	S	S	.	.	H	α-helix	trans	-80.1	-32.4	-179	-78.1	174	0	0	0	113.2	L469 K488 E489 H494 A495	L469-L492 HydrophobicContact CD1-CD2 3.64Å; L469-L492 HydrophobicContact CD2-CD2 3.57Å; L469-L492 HydrophobicContact CG-CD2 4.25Å; K488-L492 HydrophobicContact CD-CD1 4.46Å; K488-L492 HydrophobicContact CG-CD1 3.9Å; K488-L492 HydrophobicContact CG-CG 4.5Å; K488-L492 WeakPolarHBondContact O-CB 3.3Å; K488-L492 WeakPolarHBondContact O-CD1 3.29Å; K488-L492 WeakPolarHBondContact O-CG 3.33Å; K488-L492 PolarHBondContact O-N 3.17Å; E489-L492 PolarHBondContact O-N 3.35Å; L492-H494 VanDerWaalsContact C-N 3.3Å; L492-H494 PolarHBondContact O-N 2.77Å; L492-A495 WeakPolarHBondContact O-CB 3.41Å; L492-A495 PolarHBondContact O-N 3.37Å
493	E	84.8	Confident	80.7	Confident	157 Å²	157	86.5 Å²	86.5	73%	0.734	43%	0.426	S	S	*	.	H	α-helix	trans	-61	-40.6	174	-176	172.3	-137.5	0	0	111.6	E489	E489-E493 PolarHBondContact O-N 2.78Å
494	H	86.2	Confident	81.8	Confident	92 Å²	92	85 Å²	85	43%	0.426	42%	0.418	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.8	16.3	-177.3	-58.5	82.5	0	0	0	113.7	S475 L476 C477 D490 L492 V496	S475-H494 WeakPolarHBondContact CA-O 3.36Å; S475-H494 PolarHBondContact OG-O 2.85Å; S475-H494 VanDerWaalsContact OG-O 3.08Å; L476-H494 PolarHBondContact N-O 2.64Å; C477-H494 HydrophobicContact CB-CB 4.04Å; D490-H494 PolarHBondContact O-N 2.95Å; D490-H494 PolarHBondContact O-ND1 2.96Å; D490-H494 VanDerWaalsContact O-ND1 3.08Å; L492-H494 VanDerWaalsContact C-N 3.3Å; L492-H494 PolarHBondContact O-N 2.77Å; H494-V496 PolarHBondContact O-N 3.12Å
495	A	89.5	Confident	82.8	Confident	34 Å²	34	83 Å²	83	28%	0.281	42%	0.418	S	S	.	.	B	Isolated β-bridge	trans	-65.2	123.4	-176.2	0	0	0	0	0	112.2	S475 F491 L492 T497	S475-A495 PolarHBondContact OG-N 2.8Å; F491-A495 PolarHBondContact O-N 3.11Å; L492-A495 WeakPolarHBondContact O-CB 3.41Å; L492-A495 PolarHBondContact O-N 3.37Å; A495-T497 PolarHBondContact O-N 2.9Å
496	V	88.6	Confident	83.5	Confident	20 Å²	20	78.8 Å²	78.8	12%	0.121	41%	0.407	C	S	.	.	P	Polyproline II helix	trans	-76	118.5	-177.3	-178.8	0	0	0	0	109.6	V474 L476 H494 Q500 F501 I507	V474-V496 HydrophobicContact CG2-CB 4.02Å; V474-V496 PolarHBondContact O-N 3.13Å; L476-V496 HydrophobicContact CD1-CG2 4.02Å; L476-V496 HydrophobicContact CG-CG2 3.77Å; H494-V496 PolarHBondContact O-N 3.12Å; V496-Q500 HydrophobicContact CG1-CB 4.17Å; V496-F501 HydrophobicContact CG1-CB 4.2Å; V496-I507 HydrophobicContact CG1-CD1 4.13Å; V496-I507 HydrophobicContact CG1-CG2 4.31Å; V496-I507 HydrophobicContact CG2-CG2 4.16Å
497	T	88.1	Confident	83.8	Confident	75 Å²	75	78.3 Å²	78.3	46%	0.46	41%	0.405	S	S	.	.	P	Polyproline II helix	trans	-78.8	158.6	175.8	68	0	0	0	0	111.8	A495 Q499 Q500 F501	A495-T497 PolarHBondContact O-N 2.9Å; T497-Q499 VanDerWaalsContact C-N 3.25Å; T497-Q499 PolarHBondContact O-N 3.27Å; T497-Q500 PolarHBondContact O-N 2.91Å; T497-Q500 WeakPolarHBondContact OG1-CG 3.41Å; T497-Q500 PolarHBondContact OG1-OE1 3.36Å; T497-F501 PolarHBondContact O-N 2.92Å; T497-F501 VanDerWaalsContact O-N 3.14Å
498	Y	80.3	Confident	84	Confident	180 Å²	180	78 Å²	78	71%	0.706	40%	0.401	S	S	*	.	H	α-helix	trans	-55.6	-37.9	178.6	177.7	-105.7	0	0	0	113.3	F501 V502	Y498-F501 PolarHBondContact O-N 3.14Å; Y498-V502 HydrophobicContact CD1-CG2 4.34Å; Y498-V502 HydrophobicContact CD2-CG2 4.42Å; Y498-V502 HydrophobicContact CE1-CG2 3.85Å; Y498-V502 HydrophobicContact CE2-CG2 3.94Å; Y498-V502 WeakPolarHBondContact O-CG2 3.49Å; Y498-V502 PolarHBondContact O-N 3Å
499	Q	83.4	Confident	84.1	Confident	120 Å²	120	81.1 Å²	81.1	56%	0.561	42%	0.42	S	S	*	.	H	α-helix	trans	-68.3	-47.1	179.1	-59.4	-65.6	20.4	0	0	111.4	T497 F501 V502 D503	T497-Q499 VanDerWaalsContact C-N 3.25Å; T497-Q499 PolarHBondContact O-N 3.27Å; Q499-F501 PolarHBondContact O-N 3.31Å; Q499-V502 WeakPolarHBondContact O-CA 3.5Å; Q499-V502 PolarHBondContact O-N 2.98Å; Q499-D503 WeakPolarHBondContact O-CB 3.38Å; Q499-D503 VanDerWaalsContact O-CG 3.25Å; Q499-D503 PolarHBondContact O-N 3.23Å
500	Q	83.8	Confident	84.2	Confident	97 Å²	97	78 Å²	78	45%	0.453	41%	0.408	S	S	.	.	H	α-helix	trans	-56.5	-35.7	176	-71.1	162	-55.6	0	0	112.5	V496 T497 N504 I507	V496-Q500 HydrophobicContact CG1-CB 4.17Å; T497-Q500 PolarHBondContact O-N 2.91Å; T497-Q500 WeakPolarHBondContact OG1-CG 3.41Å; T497-Q500 PolarHBondContact OG1-OE1 3.36Å; Q500-N504 PolarHBondContact O-N 3.39Å; Q500-I507 WeakPolarHBondContact O-CD1 3.48Å
501	F	82.2	Confident	84.2	Confident	82 Å²	82	81.5 Å²	81.5	36%	0.36	43%	0.433	S	S	.	.	H	α-helix	trans	-73.1	-32.2	175.6	-175.9	-90.7	0	0	0	113.6	V496 T497 Y498 Q499 N504 P505 I508	V496-F501 HydrophobicContact CG1-CB 4.2Å; T497-F501 PolarHBondContact O-N 2.92Å; T497-F501 VanDerWaalsContact O-N 3.14Å; Y498-F501 PolarHBondContact O-N 3.14Å; Q499-F501 PolarHBondContact O-N 3.31Å; F501-N504 CarbonylContact O-C 3.59Å; F501-P505 WeakPolarHBondContact O-CA 3.43Å; F501-I508 HydrophobicContact CE2-CD1 4.02Å; F501-I508 HydrophobicContact CE2-CG1 3.83Å; F501-I508 HydrophobicContact CZ-CD1 3.97Å; F501-I508 HydrophobicContact CZ-CG1 4.31Å
502	V	82.4	Confident	84	Confident	76 Å²	76	85.2 Å²	85.2	46%	0.461	45%	0.453	S	S	.	.	H	α-helix	trans	-73.1	-40.5	173.2	168.4	0	0	0	0	111	Y498 Q499	Y498-V502 HydrophobicContact CD1-CG2 4.34Å; Y498-V502 HydrophobicContact CD2-CG2 4.42Å; Y498-V502 HydrophobicContact CE1-CG2 3.85Å; Y498-V502 HydrophobicContact CE2-CG2 3.94Å; Y498-V502 WeakPolarHBondContact O-CG2 3.49Å; Y498-V502 PolarHBondContact O-N 3Å; Q499-V502 WeakPolarHBondContact O-CA 3.5Å; Q499-V502 PolarHBondContact O-N 2.98Å
503	D	85.8	Confident	84.3	Confident	132 Å²	132	82.9 Å²	82.9	71%	0.706	44%	0.441	S	S	*	.	H	α-helix	trans	-69.2	-33.2	178.3	-64.4	-33.1	0	0	0	112	Q499	Q499-D503 WeakPolarHBondContact O-CB 3.38Å; Q499-D503 VanDerWaalsContact O-CG 3.25Å; Q499-D503 PolarHBondContact O-N 3.23Å
504	N	81.3	Confident	84.5	Confident	77 Å²	77	75.4 Å²	75.4	41%	0.412	41%	0.406	S	S	.	.			trans	-140.3	94.2	173.6	-176.3	11.2	0	0	0	112.8	Q500 F501 A506 I507	Q500-N504 PolarHBondContact O-N 3.39Å; F501-N504 CarbonylContact O-C 3.59Å; N504-A506 PolarHBondContact O-N 3.23Å; N504-A506 WeakPolarHBondContact OD1-CB 3.29Å; N504-A506 PolarHBondContact OD1-N 3.26Å; N504-I507 HydrophobicContact CB-CD1 4.15Å; N504-I507 HydrophobicContact CB-CG1 4.18Å; N504-I507 WeakPolarHBondContact O-CD1 3.14Å; N504-I507 VanDerWaalsContact O-CG1 3.27Å; N504-I507 WeakPolarHBondContact O-CG1 3.39Å; N504-I507 PolarHBondContact O-N 2.96Å
505	P	84.4	Confident	84.8	Confident	81 Å²	81	71 Å²	71	53%	0.526	39%	0.386	S	S	.	.	G	3₁₀ helix	trans	-70.3	-15.7	175.9	28.4	-35.1	0	0	0	113.8	F501 I507 I508	F501-P505 WeakPolarHBondContact O-CA 3.43Å; P505-I507 PolarHBondContact O-N 3.33Å; P505-I508 PolarHBondContact O-N 3.1Å
506	A	81.9	Confident	84.7	Confident	55 Å²	55	70.9 Å²	70.9	46%	0.455	38%	0.379	S	S	.	.	G	3₁₀ helix	trans	-74.6	-1.7	177.6	0	0	0	0	0	113.4	N504 I508 D509	N504-A506 PolarHBondContact O-N 3.23Å; N504-A506 WeakPolarHBondContact OD1-CB 3.29Å; N504-A506 PolarHBondContact OD1-N 3.26Å; A506-I508 PolarHBondContact O-N 2.9Å; A506-I508 VanDerWaalsContact O-N 3.07Å; A506-D509 PolarHBondContact O-N 2.99Å
507	I	85	Confident	84.7	Confident	18 Å²	18	71 Å²	71	9%	0.092	38%	0.379	C	S	.	.	G	3₁₀ helix	trans	-52.9	-24.3	166	-72.4	172.2	0	0	0	111.9	L476 V496 Q500 N504 P505 D509 D510 L513	L476-I507 HydrophobicContact CD1-CG2 4.34Å; L476-I507 HydrophobicContact CD2-CG2 4.24Å; L476-I507 HydrophobicContact CG-CG2 4.47Å; V496-I507 HydrophobicContact CG1-CD1 4.13Å; V496-I507 HydrophobicContact CG1-CG2 4.31Å; V496-I507 HydrophobicContact CG2-CG2 4.16Å; Q500-I507 WeakPolarHBondContact O-CD1 3.48Å; N504-I507 HydrophobicContact CB-CD1 4.15Å; N504-I507 HydrophobicContact CB-CG1 4.18Å; N504-I507 WeakPolarHBondContact O-CD1 3.14Å; N504-I507 VanDerWaalsContact O-CG1 3.27Å; N504-I507 WeakPolarHBondContact O-CG1 3.39Å; N504-I507 PolarHBondContact O-N 2.96Å; P505-I507 PolarHBondContact O-N 3.33Å; I507-D509 PolarHBondContact O-N 3.01Å; I507-D510 WeakPolarHBondContact O-CB 3.48Å; I507-D510 PolarHBondContact O-N 3.13Å; I507-L513 HydrophobicContact CG2-CD1 4.15Å; I507-L513 WeakPolarHBondContact O-CD2 3.41Å
508	I	84.9	Confident	84.4	Confident	44 Å²	44	69 Å²	69	23%	0.226	37%	0.372	C	S	.	.	G	3₁₀ helix	trans	-57.3	-34.5	173.1	-72.1	-177	0	0	0	113.3	F501 P505 A506 W524	F501-I508 HydrophobicContact CE2-CD1 4.02Å; F501-I508 HydrophobicContact CE2-CG1 3.83Å; F501-I508 HydrophobicContact CZ-CD1 3.97Å; F501-I508 HydrophobicContact CZ-CG1 4.31Å; P505-I508 PolarHBondContact O-N 3.1Å; A506-I508 PolarHBondContact O-N 2.9Å; A506-I508 VanDerWaalsContact O-N 3.07Å; I508-W524 HydrophobicContact CD1-CH2 4.42Å; I508-W524 HydrophobicContact CD1-CZ2 4.27Å; I508-W524 HydrophobicContact CG2-CD2 4.01Å; I508-W524 VanDerWaalsContact CG2-CE2 3.47Å; I508-W524 HydrophobicContact CG2-CG 4.18Å; I508-W524 HydrophobicContact CG2-CZ2 3.87Å; I508-W524 VanDerWaalsContact CG2-NE1 3.25Å
509	D	81.4	Confident	84.4	Confident	133 Å²	133	68.1 Å²	68.1	71%	0.711	38%	0.38	S	S	*	.	G	3₁₀ helix	trans	-95.3	3.8	-174.2	-59.2	-51.4	0	0	0	112.8	A506 I507	A506-D509 PolarHBondContact O-N 2.99Å; I507-D509 PolarHBondContact O-N 3.01Å
510	D	83.3	Confident	84.4	Confident	56 Å²	56	67.8 Å²	67.8	30%	0.299	38%	0.377	S	S	.	.			trans	-69.7	127.2	176.8	-167.1	-50.4	0	0	0	111	L476 I507 N512 L513	L476-D510 HydrophobicContact CD2-CB 3.73Å; I507-D510 WeakPolarHBondContact O-CB 3.48Å; I507-D510 PolarHBondContact O-N 3.13Å; D510-N512 PolarHBondContact O-N 3.49Å; D510-N512 VanDerWaalsContact O-N 3.12Å; D510-N512 WeakPolarHBondContact OD1-CA 3.43Å; D510-N512 VanDerWaalsContact OD1-CB 3.28Å; D510-N512 WeakPolarHBondContact OD1-CB 3.47Å; D510-N512 PolarHBondContact OD1-N 3.28Å; D510-N512 PolarHBondContact OD1-ND2 2.79Å; D510-L513 HydrophobicContact CB-CB 4.5Å; D510-L513 WeakPolarHBondContact O-CB 3.14Å; D510-L513 PolarHBondContact O-N 2.79Å
511	P	79.4	Confident	84.6	Confident	125 Å²	125	65.5 Å²	65.5	81%	0.812	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-19.3	179.4	26.3	-35.4	0	0	0	113.8
512	N	84.1	Confident	84.9	Confident	79 Å²	79	62.4 Å²	62.4	42%	0.422	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.3	0.9	177.8	-54.3	-74.4	0	0	0	113.4	L476 G478 D510 V514	L476-N512 CarbonylContact C-O 3.56Å; G478-N512 WeakPolarHBondContact CA-O 3.25Å; G478-N512 PolarHBondContact N-O 2.91Å; D510-N512 PolarHBondContact O-N 3.49Å; D510-N512 VanDerWaalsContact O-N 3.12Å; D510-N512 WeakPolarHBondContact OD1-CA 3.43Å; D510-N512 VanDerWaalsContact OD1-CB 3.28Å; D510-N512 WeakPolarHBondContact OD1-CB 3.47Å; D510-N512 PolarHBondContact OD1-N 3.28Å; D510-N512 PolarHBondContact OD1-ND2 2.79Å; N512-V514 PolarHBondContact O-N 2.77Å; N512-V514 VanDerWaalsContact O-N 3.15Å
513	L	89.6	Confident	85.2	Confident	8 Å²	8	60.2 Å²	60.2	4%	0.042	34%	0.336	C	S	.	.			trans	-69.7	111.9	-177.5	-174.4	67.1	0	0	0	112.4	V474 L476 I507 D510 W524	V474-L513 HydrophobicContact CB-CD1 4.19Å; V474-L513 HydrophobicContact CG1-CD1 4.38Å; L476-L513 HydrophobicContact CD2-CB 4.27Å; L476-L513 HydrophobicContact CD2-CD1 4.16Å; I507-L513 HydrophobicContact CG2-CD1 4.15Å; I507-L513 WeakPolarHBondContact O-CD2 3.41Å; D510-L513 HydrophobicContact CB-CB 4.5Å; D510-L513 WeakPolarHBondContact O-CB 3.14Å; D510-L513 PolarHBondContact O-N 2.79Å; L513-W524 HydrophobicContact CD2-CB 4.28Å; L513-W524 HydrophobicContact CD2-CE3 4.47Å
514	V	89.8	Confident	85.4	Confident	0 Å²	0	58.4 Å²	58.4	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	122.5	174.2	-173.9	0	0	0	0	109.9	V474 S475 G478 L480 I486 F491 N512 Y521	V474-V514 WeakPolarHBondContact CA-O 3.44Å; S475-V514 PolarHBondContact N-O 3.21Å; S475-V514 PolarHBondContact O-N 2.79Å; G478-V514 VanDerWaalsContact O-CG2 3.24Å; G478-V514 WeakPolarHBondContact O-CG2 3.43Å; L480-V514 HydrophobicContact CD1-CB 4.49Å; L480-V514 HydrophobicContact CD1-CG1 4.31Å; L480-V514 HydrophobicContact CD1-CG2 3.95Å; L480-V514 HydrophobicContact CG-CG1 4.49Å; L480-V514 HydrophobicContact CG-CG2 4.01Å; I486-V514 HydrophobicContact CD1-CG1 3.92Å; I486-V514 HydrophobicContact CD1-CG2 4.04Å; F491-V514 HydrophobicContact CD2-CB 4.38Å; F491-V514 HydrophobicContact CD2-CG1 4.09Å; F491-V514 HydrophobicContact CE2-CB 4.17Å; F491-V514 HydrophobicContact CE2-CG1 3.91Å; N512-V514 PolarHBondContact O-N 2.77Å; N512-V514 VanDerWaalsContact O-N 3.15Å; V514-Y521 HydrophobicContact CG1-CD1 3.92Å; V514-Y521 HydrophobicContact CG1-CG 4.18Å
515	V	91.1	Very high	85.7	Confident	0 Å²	0	58.1 Å²	58.1	0%	0	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	119	173.3	-165.5	0	0	0	0	109.3	A473 V474 I517 Y521 Y522 W524 A527 L531	A473-V515 CarbonylContact O-C 3.54Å; A473-V515 WeakPolarHBondContact O-CA 3.39Å; V474-V515 HydrophobicContact CG1-CB 4.45Å; V474-V515 HydrophobicContact CG1-CG1 4.11Å; V474-V515 HydrophobicContact CG1-CG2 4.14Å; V515-I517 HydrophobicContact CG1-CD1 4.48Å; V515-I517 HydrophobicContact CG1-CG1 4.09Å; V515-Y521 CarbonylContact O-C 3.55Å; V515-Y521 WeakPolarHBondContact O-CA 3.41Å; V515-Y522 PolarHBondContact N-O 3.19Å; V515-Y522 PolarHBondContact O-N 2.82Å; V515-W524 HydrophobicContact CG2-CE3 4.11Å; V515-A527 HydrophobicContact CB-CB 3.55Å; V515-A527 HydrophobicContact CG1-CB 3.88Å; V515-A527 HydrophobicContact CG2-CB 3.54Å; V515-L531 HydrophobicContact CG1-CD1 4.14Å
516	K	88.9	Confident	85.8	Confident	31 Å²	31	54.2 Å²	54.2	14%	0.135	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	127.8	169.2	-175.5	178.7	-174.6	170.6	0	109.3	I472 A473 F491 G518 K520 Y521	I472-K516 VanDerWaalsContact CA-O 3.31Å; I472-K516 WeakPolarHBondContact CA-O 3.46Å; A473-K516 HydrophobicContact CB-CB 4.38Å; A473-K516 PolarHBondContact N-O 3.16Å; A473-K516 PolarHBondContact O-N 3.31Å; F491-K516 HydrophobicContact CE1-CB 4.11Å; F491-K516 HydrophobicContact CE1-CD 4.2Å; F491-K516 HydrophobicContact CE2-CB 3.92Å; F491-K516 HydrophobicContact CZ-CB 3.49Å; F491-K516 VanDerWaalsContact CZ-CB 3.49Å; F491-K516 HydrophobicContact CZ-CD 4.41Å; K516-G518 WeakPolarHBondContact CE-O 3.4Å; K516-G518 WeakPolarHBondContact CG-O 3.48Å; K516-K520 WeakPolarHBondContact CA-O 3.39Å; K516-Y521 HydrophobicContact CB-CD1 3.84Å; K516-Y521 HydrophobicContact CB-CE1 3.88Å; K516-Y521 HydrophobicContact CD-CD1 4.49Å; K516-Y521 HydrophobicContact CD-CE1 3.76Å; K516-Y521 HydrophobicContact CG-CD1 4.05Å; K516-Y521 HydrophobicContact CG-CE1 3.8Å
517	I	87.3	Confident	86.2	Confident	23 Å²	23	51.6 Å²	51.6	12%	0.118	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	108.7	170.5	-49.5	175.6	0	0	0	107.7	I472 V515 N519 K520 Y522 A527 L530 L531 M534	I472-I517 HydrophobicContact CG1-CG2 4.31Å; V515-I517 HydrophobicContact CG1-CD1 4.48Å; V515-I517 HydrophobicContact CG1-CG1 4.09Å; I517-N519 PolarHBondContact O-N 2.7Å; I517-K520 PolarHBondContact N-O 3.28Å; I517-K520 PolarHBondContact O-N 2.86Å; I517-Y522 HydrophobicContact CB-CD2 4.19Å; I517-Y522 HydrophobicContact CB-CE2 3.88Å; I517-Y522 HydrophobicContact CD1-CD2 4.18Å; I517-Y522 HydrophobicContact CD1-CE2 4.39Å; I517-Y522 HydrophobicContact CG1-CD2 4.11Å; I517-Y522 HydrophobicContact CG1-CE2 4.29Å; I517-A527 HydrophobicContact CD1-CB 4.2Å; I517-L530 HydrophobicContact CD1-CB 3.95Å; I517-L530 HydrophobicContact CD1-CD1 4.14Å; I517-L531 HydrophobicContact CD1-CD2 3.71Å; I517-L531 HydrophobicContact CD1-CG 3.87Å; I517-L531 HydrophobicContact CG1-CD2 4.09Å; I517-M534 HydrophobicContact CG2-SD 4.35Å
518	G	82.2	Confident	86.3	Confident	31 Å²	31	51.5 Å²	51.5	32%	0.32	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	59	-127.7	-166.6	0	0	0	0	0	111.4	S471 K516 K520	S471-G518 PolarHBondContact O-N 3.39Å; K516-G518 WeakPolarHBondContact CE-O 3.4Å; K516-G518 WeakPolarHBondContact CG-O 3.48Å; G518-K520 VanDerWaalsContact C-N 3.35Å
519	N	80.8	Confident	86.5	Confident	163 Å²	163	51.6 Å²	51.6	87%	0.872	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.4	17.4	-179.7	-61.1	59.9	0	0	0	113.3	I517	I517-N519 PolarHBondContact O-N 2.7Å
520	K	83.5	Confident	86.6	Confident	112 Å²	112	46 Å²	46	49%	0.487	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	143.4	179.7	-75.4	-174.1	170.6	-170.1	0	112	K516 I517 G518 Y522	K516-K520 WeakPolarHBondContact CA-O 3.39Å; I517-K520 PolarHBondContact N-O 3.28Å; I517-K520 PolarHBondContact O-N 2.86Å; G518-K520 VanDerWaalsContact C-N 3.35Å; K520-Y522 HydrophobicContact CB-CD2 4.34Å; K520-Y522 HydrophobicContact CB-CE2 3.46Å; K520-Y522 VanDerWaalsContact CB-CE2 3.46Å; K520-Y522 WeakPolarHBondContact CB-OH 3.08Å; K520-Y522 VanDerWaalsContact CD-OH 3.26Å; K520-Y522 WeakPolarHBondContact CD-OH 2.87Å
521	Y	87.8	Confident	86.8	Confident	49 Å²	49	45 Å²	45	19%	0.192	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	141.9	174.9	-57.4	-70.8	0	0	0	110.2	I486 F491 V514 V515 K516 M554	I486-Y521 HydrophobicContact CB-CD2 4.02Å; I486-Y521 HydrophobicContact CB-CE2 4.18Å; I486-Y521 HydrophobicContact CB-CG 4.47Å; I486-Y521 HydrophobicContact CG2-CD1 4.49Å; I486-Y521 HydrophobicContact CG2-CD2 4.22Å; I486-Y521 HydrophobicContact CG2-CE1 4.41Å; I486-Y521 HydrophobicContact CG2-CE2 4.13Å; I486-Y521 HydrophobicContact CG2-CG 4.4Å; I486-Y521 WeakPolarHBondContact O-CE2 3.41Å; F491-Y521 HydrophobicContact CB-CE1 4.27Å; F491-Y521 HydrophobicContact CD1-CE1 4.25Å; F491-Y521 AromaticContact CD2-CD1 3.71Å; F491-Y521 HydrophobicContact CD2-CD1 3.71Å; F491-Y521 AromaticContact CD2-CE1 3.44Å; F491-Y521 HydrophobicContact CD2-CE1 3.44Å; F491-Y521 VanDerWaalsContact CD2-CE1 3.44Å; F491-Y521 AromaticContact CE2-CD1 3.8Å; F491-Y521 HydrophobicContact CE2-CD1 3.8Å; F491-Y521 AromaticContact CE2-CE1 3.79Å; F491-Y521 HydrophobicContact CE2-CE1 3.79Å; F491-Y521 HydrophobicContact CG-CD1 4.43Å; F491-Y521 AromaticContact CG-CE1 3.71Å; F491-Y521 HydrophobicContact CG-CE1 3.71Å; F491-Y521 HydrophobicContact CZ-CE1 4.34Å; V514-Y521 HydrophobicContact CG1-CD1 3.92Å; V514-Y521 HydrophobicContact CG1-CG 4.18Å; V515-Y521 CarbonylContact O-C 3.55Å; V515-Y521 WeakPolarHBondContact O-CA 3.41Å; K516-Y521 HydrophobicContact CB-CD1 3.84Å; K516-Y521 HydrophobicContact CB-CE1 3.88Å; K516-Y521 HydrophobicContact CD-CD1 4.49Å; K516-Y521 HydrophobicContact CD-CE1 3.76Å; K516-Y521 HydrophobicContact CG-CD1 4.05Å; K516-Y521 HydrophobicContact CG-CE1 3.8Å; Y521-M554 VanDerWaalsContact O-CE 3.26Å; Y521-M554 WeakPolarHBondContact O-CE 3.41Å
522	Y	87.6	Confident	87.1	Confident	18 Å²	18	44.8 Å²	44.8	7%	0.071	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	151.3	-175.3	-56.7	-89.5	0	0	0	110.8	V515 I517 K520 T526 L530 M550 M554	V515-Y522 PolarHBondContact N-O 3.19Å; V515-Y522 PolarHBondContact O-N 2.82Å; I517-Y522 HydrophobicContact CB-CD2 4.19Å; I517-Y522 HydrophobicContact CB-CE2 3.88Å; I517-Y522 HydrophobicContact CD1-CD2 4.18Å; I517-Y522 HydrophobicContact CD1-CE2 4.39Å; I517-Y522 HydrophobicContact CG1-CD2 4.11Å; I517-Y522 HydrophobicContact CG1-CE2 4.29Å; K520-Y522 HydrophobicContact CB-CD2 4.34Å; K520-Y522 HydrophobicContact CB-CE2 3.46Å; K520-Y522 VanDerWaalsContact CB-CE2 3.46Å; K520-Y522 WeakPolarHBondContact CB-OH 3.08Å; K520-Y522 VanDerWaalsContact CD-OH 3.26Å; K520-Y522 WeakPolarHBondContact CD-OH 2.87Å; Y522-T526 HydrophobicContact CD1-CG2 3.64Å; Y522-T526 HydrophobicContact CE1-CG2 4.32Å; Y522-T526 HydrophobicContact CG-CG2 4.44Å; Y522-L530 HydrophobicContact CD1-CD1 4.16Å; Y522-L530 HydrophobicContact CE1-CD1 3.92Å; Y522-L530 HydrophobicContact CE2-CD1 4.38Å; Y522-L530 HydrophobicContact CG-CD1 4.46Å; Y522-M550 HydrophobicContact CE1-CE 4.01Å; Y522-M550 HydrophobicContact CE1-CG 4.18Å; Y522-M550 HydrophobicContact CE1-SD 3.9Å; Y522-M554 HydrophobicContact CD1-CE 4.13Å
523	N	90.1	Very high	87.1	Confident	29 Å²	29	41.4 Å²	41.4	16%	0.155	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	158.3	165.3	59.2	-5.8	0	0	0	110.3	L480 T525 T526 A527 K553	L480-N523 HydrophobicContact CD1-CB 3.81Å; N523-T525 VanDerWaalsContact C-N 3.25Å; N523-T525 PolarHBondContact ND2-OG1 3.27Å; N523-T525 PolarHBondContact O-N 3.12Å; N523-T525 PolarHBondContact OD1-OG1 2.8Å; N523-T526 PolarHBondContact O-N 3.43Å; N523-T526 WeakPolarHBondContact OD1-CB 3.37Å; N523-T526 PolarHBondContact OD1-N 3.06Å; N523-T526 PolarHBondContact OD1-OG1 2.91Å; N523-A527 WeakPolarHBondContact O-CB 3.4Å; N523-A527 PolarHBondContact O-N 3.29Å; N523-K553 PolarHBondContact ND2-O 3.47Å
524	W	89.3	Confident	86.6	Confident	94 Å²	94	44 Å²	44	36%	0.356	23%	0.232	S	C	.	.	H	α-helix	trans	-51.6	-41.7	-179.1	178.3	-119.3	0	0	0	113.6	I508 L513 V515 T526 A527 G528 L531	I508-W524 HydrophobicContact CD1-CH2 4.42Å; I508-W524 HydrophobicContact CD1-CZ2 4.27Å; I508-W524 HydrophobicContact CG2-CD2 4.01Å; I508-W524 VanDerWaalsContact CG2-CE2 3.47Å; I508-W524 HydrophobicContact CG2-CG 4.18Å; I508-W524 HydrophobicContact CG2-CZ2 3.87Å; I508-W524 VanDerWaalsContact CG2-NE1 3.25Å; L513-W524 HydrophobicContact CD2-CB 4.28Å; L513-W524 HydrophobicContact CD2-CE3 4.47Å; V515-W524 HydrophobicContact CG2-CE3 4.11Å; W524-T526 PolarHBondContact O-N 3.06Å; W524-A527 PolarHBondContact O-N 3.08Å; W524-A527 VanDerWaalsContact O-N 3.16Å; W524-G528 PolarHBondContact O-N 2.78Å; W524-L531 HydrophobicContact CZ3-CD1 4.4Å
525	T	86.8	Confident	86.1	Confident	71 Å²	71	51.1 Å²	51.1	44%	0.436	27%	0.265	S	S	.	.	H	α-helix	trans	-66.1	-20.1	-177.3	62.7	0	0	0	0	114.5	N523 K553	N523-T525 VanDerWaalsContact C-N 3.25Å; N523-T525 PolarHBondContact ND2-OG1 3.27Å; N523-T525 PolarHBondContact O-N 3.12Å; N523-T525 PolarHBondContact OD1-OG1 2.8Å; T525-K553 VanDerWaalsContact O-CD 3.26Å; T525-K553 WeakPolarHBondContact O-CD 3.47Å; T525-K553 PolarHBondContact O-NZ 2.83Å
526	T	88.3	Confident	85.3	Confident	0 Å²	0	54 Å²	54	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-96.3	-37.6	170.9	-56.8	0	0	0	0	111.6	Y522 N523 W524 L530 I549 M550	Y522-T526 HydrophobicContact CD1-CG2 3.64Å; Y522-T526 HydrophobicContact CE1-CG2 4.32Å; Y522-T526 HydrophobicContact CG-CG2 4.44Å; N523-T526 PolarHBondContact O-N 3.43Å; N523-T526 WeakPolarHBondContact OD1-CB 3.37Å; N523-T526 PolarHBondContact OD1-N 3.06Å; N523-T526 PolarHBondContact OD1-OG1 2.91Å; W524-T526 PolarHBondContact O-N 3.06Å; T526-L530 HydrophobicContact CG2-CD1 4.38Å; T526-L530 WeakPolarHBondContact O-CG 3.38Å; T526-I549 HydrophobicContact CG2-CG2 4.03Å; T526-M550 HydrophobicContact CG2-CG 4.05Å
527	A	89	Confident	84.9	Confident	0 Å²	0	59.8 Å²	59.8	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-70.3	-43	-177.9	0	0	0	0	0	113.5	V515 I517 N523 W524 L530 L531	V515-A527 HydrophobicContact CB-CB 3.55Å; V515-A527 HydrophobicContact CG1-CB 3.88Å; V515-A527 HydrophobicContact CG2-CB 3.54Å; I517-A527 HydrophobicContact CD1-CB 4.2Å; N523-A527 WeakPolarHBondContact O-CB 3.4Å; N523-A527 PolarHBondContact O-N 3.29Å; W524-A527 PolarHBondContact O-N 3.08Å; W524-A527 VanDerWaalsContact O-N 3.16Å; A527-L530 WeakPolarHBondContact O-CA 3.35Å; A527-L530 WeakPolarHBondContact O-CB 3.28Å; A527-L530 PolarHBondContact O-N 3.16Å; A527-L531 WeakPolarHBondContact O-CG 3.45Å; A527-L531 PolarHBondContact O-N 3.38Å
528	G	88.4	Confident	84.6	Confident	16 Å²	16	65.8 Å²	65.8	17%	0.165	34%	0.342	C	S	.	.	H	α-helix	trans	-51.6	-52.3	-178.7	0	0	0	0	0	113.2	W524 L530 L531 L532	W524-G528 PolarHBondContact O-N 2.78Å; G528-L530 VanDerWaalsContact C-N 3.3Å; G528-L530 PolarHBondContact O-N 3.05Å; G528-L531 PolarHBondContact O-N 3.46Å; G528-L532 WeakPolarHBondContact O-CB 3.47Å; G528-L532 PolarHBondContact O-N 2.81Å
529	P	87.4	Confident	84.3	Confident	45 Å²	45	71.4 Å²	71.4	29%	0.292	36%	0.357	S	S	.	.	H	α-helix	trans	-59.4	-33.3	174.4	-27.3	35.8	0	0	0	115	A533 I549	P529-A533 WeakPolarHBondContact O-CB 3.48Å; P529-A533 PolarHBondContact O-N 3.02Å; P529-A533 VanDerWaalsContact O-N 3.15Å; P529-I549 HydrophobicContact CB-CD1 4.32Å
530	L	84.8	Confident	84.3	Confident	16 Å²	16	68.7 Å²	68.7	8%	0.084	35%	0.348	C	S	.	.	H	α-helix	trans	-71.4	-48.7	177.4	-66.6	166.8	0	0	0	111.2	I517 Y522 T526 A527 G528 A533 M534 L541 V546	I517-L530 HydrophobicContact CD1-CB 3.95Å; I517-L530 HydrophobicContact CD1-CD1 4.14Å; Y522-L530 HydrophobicContact CD1-CD1 4.16Å; Y522-L530 HydrophobicContact CE1-CD1 3.92Å; Y522-L530 HydrophobicContact CE2-CD1 4.38Å; Y522-L530 HydrophobicContact CG-CD1 4.46Å; T526-L530 HydrophobicContact CG2-CD1 4.38Å; T526-L530 WeakPolarHBondContact O-CG 3.38Å; A527-L530 WeakPolarHBondContact O-CA 3.35Å; A527-L530 WeakPolarHBondContact O-CB 3.28Å; A527-L530 PolarHBondContact O-N 3.16Å; G528-L530 VanDerWaalsContact C-N 3.3Å; G528-L530 PolarHBondContact O-N 3.05Å; L530-A533 PolarHBondContact O-N 3.23Å; L530-M534 WeakPolarHBondContact O-CG 3.32Å; L530-M534 PolarHBondContact O-N 2.89Å; L530-L541 HydrophobicContact CD2-CB 4.32Å; L530-L541 HydrophobicContact CD2-CD1 4.08Å; L530-L541 HydrophobicContact CD2-CG 4.44Å; L530-V546 HydrophobicContact CD1-CG1 4.49Å; L530-V546 HydrophobicContact CD2-CB 4.37Å; L530-V546 HydrophobicContact CD2-CG1 3.97Å; L530-V546 HydrophobicContact CD2-CG2 3.63Å
531	L	86.6	Confident	84.2	Confident	36 Å²	36	65.5 Å²	65.5	19%	0.188	34%	0.337	C	S	.	.	H	α-helix	trans	-64.8	-42.8	178.5	-66.1	-179.6	0	0	0	111.6	I472 V515 I517 W524 A527 G528 A533 M534 Q535	I472-L531 HydrophobicContact CB-CD2 4.41Å; I472-L531 HydrophobicContact CD1-CD2 3.56Å; I472-L531 HydrophobicContact CG1-CD2 3.73Å; I472-L531 HydrophobicContact CG2-CD1 4.36Å; I472-L531 HydrophobicContact CG2-CD2 3.74Å; V515-L531 HydrophobicContact CG1-CD1 4.14Å; I517-L531 HydrophobicContact CD1-CD2 3.71Å; I517-L531 HydrophobicContact CD1-CG 3.87Å; I517-L531 HydrophobicContact CG1-CD2 4.09Å; W524-L531 HydrophobicContact CZ3-CD1 4.4Å; A527-L531 WeakPolarHBondContact O-CG 3.45Å; A527-L531 PolarHBondContact O-N 3.38Å; G528-L531 PolarHBondContact O-N 3.46Å; L531-A533 VanDerWaalsContact C-N 3.35Å; L531-A533 PolarHBondContact O-N 2.74Å; L531-M534 PolarHBondContact O-N 3.16Å; L531-Q535 VanDerWaalsContact O-CB 3.32Å; L531-Q535 WeakPolarHBondContact O-CB 3.43Å; L531-Q535 PolarHBondContact O-N 3.28Å
532	L	86.1	Confident	84.2	Confident	120 Å²	120	67.2 Å²	67.2	63%	0.628	35%	0.354	S	S	*	.	H	α-helix	trans	-61.9	-42	176.2	-177.3	62.6	0	0	0	111.4	G528 Q535 A536	G528-L532 WeakPolarHBondContact O-CB 3.47Å; G528-L532 PolarHBondContact O-N 2.81Å; L532-Q535 PolarHBondContact O-N 2.93Å; L532-A536 HydrophobicContact CD1-CB 4.46Å; L532-A536 WeakPolarHBondContact O-CB 3.45Å; L532-A536 PolarHBondContact O-N 3.45Å
533	A	83.7	Confident	84	Confident	7 Å²	7	74.5 Å²	74.5	6%	0.058	39%	0.386	C	S	.	.	H	α-helix	trans	-63.9	-45	176.3	0	0	0	0	0	112.3	P529 L530 L531 F537 K539 L541	P529-A533 WeakPolarHBondContact O-CB 3.48Å; P529-A533 PolarHBondContact O-N 3.02Å; P529-A533 VanDerWaalsContact O-N 3.15Å; L530-A533 PolarHBondContact O-N 3.23Å; L531-A533 VanDerWaalsContact C-N 3.35Å; L531-A533 PolarHBondContact O-N 2.74Å; A533-F537 WeakPolarHBondContact O-CB 3.33Å; A533-F537 PolarHBondContact O-N 2.99Å; A533-K539 CarbonylContact C-O 3.45Å; A533-L541 HydrophobicContact CB-CD1 4.47Å; A533-L541 HydrophobicContact CB-CD2 3.59Å; A533-L541 HydrophobicContact CB-CG 3.66Å
534	M	78.4	Confident	83.6	Confident	64 Å²	64	76.5 Å²	76.5	32%	0.315	41%	0.406	S	S	.	.	H	α-helix	trans	-61.9	-45.2	175.7	-72.8	173.7	59.4	0	0	111.7	I472 I517 L530 L531 Q538	I472-M534 HydrophobicContact CD1-CE 4.21Å; I517-M534 HydrophobicContact CG2-SD 4.35Å; L530-M534 WeakPolarHBondContact O-CG 3.32Å; L530-M534 PolarHBondContact O-N 2.89Å; L531-M534 PolarHBondContact O-N 3.16Å; M534-Q538 WeakPolarHBondContact O-CA 3.37Å; M534-Q538 PolarHBondContact O-N 3.48Å; M534-Q538 PolarHBondContact O-NE2 3.08Å
535	Q	80.8	Confident	83.3	Confident	149 Å²	149	75 Å²	75	70%	0.696	41%	0.407	S	S	*	.	H	α-helix	trans	-74.2	-45.9	-176.1	-172.3	63.4	7.4	0	0	112.8	L531 L532 Q538	L531-Q535 VanDerWaalsContact O-CB 3.32Å; L531-Q535 WeakPolarHBondContact O-CB 3.43Å; L531-Q535 PolarHBondContact O-N 3.28Å; L532-Q535 PolarHBondContact O-N 2.93Å; Q535-Q538 PolarHBondContact O-NE2 3.47Å; Q535-Q538 VanDerWaalsContact O-NE2 3.14Å
536	A	73.6	Confident	83.2	Confident	60 Å²	60	72.6 Å²	72.6	50%	0.496	39%	0.392	S	S	.	.	H	α-helix	trans	-78.6	-32	-175.1	0	0	0	0	0	113.6	L532	L532-A536 HydrophobicContact CD1-CB 4.46Å; L532-A536 WeakPolarHBondContact O-CB 3.45Å; L532-A536 PolarHBondContact O-N 3.45Å
537	F	81.5	Confident	82.9	Confident	153 Å²	153	78 Å²	78	67%	0.671	42%	0.418	S	S	*	.	H	α-helix	trans	-117.9	-2.2	-175	-52.2	-66.2	0	0	0	114.5	A533 K539	A533-F537 WeakPolarHBondContact O-CB 3.33Å; A533-F537 PolarHBondContact O-N 2.99Å; F537-K539 WeakPolarHBondContact O-CG 3.49Å; F537-K539 PolarHBondContact O-N 3.39Å; F537-K539 VanDerWaalsContact O-N 3.17Å
538	Q	79.4	Confident	82.8	Confident	149 Å²	149	79.7 Å²	79.7	70%	0.696	43%	0.43	S	S	*	.	S	Bend	trans	53.7	31.8	-176	-61.6	-63.2	-42.1	0	0	112.8	M534 Q535	M534-Q538 WeakPolarHBondContact O-CA 3.37Å; M534-Q538 PolarHBondContact O-N 3.48Å; M534-Q538 PolarHBondContact O-NE2 3.08Å; Q535-Q538 PolarHBondContact O-NE2 3.47Å; Q535-Q538 VanDerWaalsContact O-NE2 3.14Å
539	K	77.1	Confident	82.6	Confident	149 Å²	149	80.4 Å²	80.4	65%	0.648	43%	0.429	S	S	*	.	S	Bend	trans	-144.7	135.5	-176.3	-71.2	176.7	-176.6	176.7	0	110.7	A533 F537	A533-K539 CarbonylContact C-O 3.45Å; F537-K539 WeakPolarHBondContact O-CG 3.49Å; F537-K539 PolarHBondContact O-N 3.39Å; F537-K539 VanDerWaalsContact O-N 3.17Å
540	P	80.2	Confident	82.3	Confident	105 Å²	105	80.2 Å²	80.2	68%	0.682	43%	0.425	S	S	*	.	P	Polyproline II helix	trans	-70.2	154.6	171.3	31.2	-35.1	0	0	0	111.1
541	L	81.5	Confident	82.1	Confident	46 Å²	46	87 Å²	87	24%	0.241	45%	0.449	C	S	.	.	P	Polyproline II helix	trans	-63.7	149.2	172.7	-69.7	-178.8	0	0	0	111.6	L530 A533 T545 V546 I549	L530-L541 HydrophobicContact CD2-CB 4.32Å; L530-L541 HydrophobicContact CD2-CD1 4.08Å; L530-L541 HydrophobicContact CD2-CG 4.44Å; A533-L541 HydrophobicContact CB-CD1 4.47Å; A533-L541 HydrophobicContact CB-CD2 3.59Å; A533-L541 HydrophobicContact CB-CG 3.66Å; L541-T545 HydrophobicContact CD1-CG2 4.45Å; L541-V546 HydrophobicContact CB-CG2 3.76Å; L541-I549 HydrophobicContact CD1-CD1 3.88Å
542	P	88.6	Confident	81.8	Confident	84 Å²	84	90.1 Å²	90.1	55%	0.545	47%	0.466	S	S	.	.	P	Polyproline II helix	trans	-57.9	138.8	173.7	-22.7	33.5	0	0	0	111.6	A544 T545 V546	P542-A544 VanDerWaalsContact C-N 3.29Å; P542-A544 PolarHBondContact O-N 2.83Å; P542-A544 VanDerWaalsContact O-N 3.15Å; P542-T545 WeakPolarHBondContact O-CA 3.46Å; P542-T545 VanDerWaalsContact O-CB 3.28Å; P542-T545 WeakPolarHBondContact O-CB 3.4Å; P542-T545 PolarHBondContact O-N 2.88Å; P542-V546 PolarHBondContact O-N 2.87Å
543	K	81.8	Confident	81.5	Confident	172 Å²	172	89.3 Å²	89.3	75%	0.748	46%	0.458	S	S	*	.	H	α-helix	trans	-51.1	-44.1	-173.9	-66.3	-174.9	178.3	-177.8	0	113.5	T545 V546 E547	K543-T545 VanDerWaalsContact C-N 3.29Å; K543-T545 PolarHBondContact O-N 3.35Å; K543-V546 WeakPolarHBondContact O-CB 3.45Å; K543-V546 PolarHBondContact O-N 3.34Å; K543-V546 VanDerWaalsContact O-N 3.14Å; K543-E547 WeakPolarHBondContact O-CB 3.46Å; K543-E547 WeakPolarHBondContact O-CG 3.49Å; K543-E547 PolarHBondContact O-N 3.07Å
544	A	81.7	Confident	81.3	Confident	71 Å²	71	91 Å²	91	59%	0.587	47%	0.465	S	S	*	.	H	α-helix	trans	-62.3	-32.1	176.8	0	0	0	0	0	113.8	P542 S548	P542-A544 VanDerWaalsContact C-N 3.29Å; P542-A544 PolarHBondContact O-N 2.83Å; P542-A544 VanDerWaalsContact O-N 3.15Å; A544-S548 PolarHBondContact O-N 2.9Å; A544-S548 VanDerWaalsContact O-N 3.1Å
545	T	84.6	Confident	80.8	Confident	61 Å²	61	90.1 Å²	90.1	37%	0.374	46%	0.464	S	S	.	.	H	α-helix	trans	-71.2	-43.4	173.3	-50.3	0	0	0	0	110.7	L541 P542 K543 E547 S548 I549	L541-T545 HydrophobicContact CD1-CG2 4.45Å; P542-T545 WeakPolarHBondContact O-CA 3.46Å; P542-T545 VanDerWaalsContact O-CB 3.28Å; P542-T545 WeakPolarHBondContact O-CB 3.4Å; P542-T545 PolarHBondContact O-N 2.88Å; K543-T545 VanDerWaalsContact C-N 3.29Å; K543-T545 PolarHBondContact O-N 3.35Å; T545-E547 VanDerWaalsContact C-N 3.34Å; T545-E547 PolarHBondContact O-N 2.8Å; T545-S548 PolarHBondContact O-N 2.7Å; T545-I549 HydrophobicContact CG2-CD1 4.15Å; T545-I549 WeakPolarHBondContact O-CG1 3.41Å; T545-I549 PolarHBondContact O-N 2.89Å
546	V	83.8	Confident	80	Confident	21 Å²	21	91.9 Å²	91.9	13%	0.127	47%	0.47	C	S	.	.	H	α-helix	trans	-59.4	-46.3	174.3	-175.7	0	0	0	0	110.7	L530 L541 P542 K543 S548 I549 M550	L530-V546 HydrophobicContact CD1-CG1 4.49Å; L530-V546 HydrophobicContact CD2-CB 4.37Å; L530-V546 HydrophobicContact CD2-CG1 3.97Å; L530-V546 HydrophobicContact CD2-CG2 3.63Å; L541-V546 HydrophobicContact CB-CG2 3.76Å; P542-V546 PolarHBondContact O-N 2.87Å; K543-V546 WeakPolarHBondContact O-CB 3.45Å; K543-V546 PolarHBondContact O-N 3.34Å; K543-V546 VanDerWaalsContact O-N 3.14Å; V546-S548 VanDerWaalsContact C-N 3.32Å; V546-S548 PolarHBondContact O-N 3.44Å; V546-I549 PolarHBondContact O-N 2.93Å; V546-M550 HydrophobicContact CG1-CG 4.26Å; V546-M550 HydrophobicContact CG1-SD 3.96Å; V546-M550 WeakPolarHBondContact O-CB 3.48Å; V546-M550 VanDerWaalsContact O-CG 3.28Å; V546-M550 WeakPolarHBondContact O-CG 3.49Å; V546-M550 PolarHBondContact O-N 3.48Å
547	E	82.9	Confident	78.9	Confident	114 Å²	114	94.1 Å²	94.1	53%	0.533	47%	0.468	S	S	.	.	H	α-helix	trans	-64	-32.4	178.7	-73.7	160.7	-157.3	0	0	112.7	K543 T545 R551	K543-E547 WeakPolarHBondContact O-CB 3.46Å; K543-E547 WeakPolarHBondContact O-CG 3.49Å; K543-E547 PolarHBondContact O-N 3.07Å; T545-E547 VanDerWaalsContact C-N 3.34Å; T545-E547 PolarHBondContact O-N 2.8Å; E547-R551 WeakPolarHBondContact O-CB 3.41Å; E547-R551 WeakPolarHBondContact O-CG 3.41Å; E547-R551 PolarHBondContact O-N 2.9Å
548	S	84.9	Confident	77.1	Confident	35 Å²	35	89.8 Å²	89.8	25%	0.245	47%	0.466	C	S	.	.	H	α-helix	trans	-67.8	-53.9	169.3	-151.4	0	0	0	0	111.4	A544 T545 V546 M550 R551 D552	A544-S548 PolarHBondContact O-N 2.9Å; A544-S548 VanDerWaalsContact O-N 3.1Å; T545-S548 PolarHBondContact O-N 2.7Å; V546-S548 VanDerWaalsContact C-N 3.32Å; V546-S548 PolarHBondContact O-N 3.44Å; S548-M550 PolarHBondContact O-N 3.26Å; S548-M550 VanDerWaalsContact O-N 3.16Å; S548-R551 VanDerWaalsContact CA-NH2 3.33Å; S548-R551 VanDerWaalsContact CB-NH2 3.33Å; S548-R551 PolarHBondContact O-N 2.87Å; S548-R551 PolarHBondContact OG-NH2 2.93Å; S548-D552 VanDerWaalsContact C-OD2 3.31Å; S548-D552 VanDerWaalsContact O-CB 3.29Å; S548-D552 WeakPolarHBondContact O-CB 3.37Å; S548-D552 PolarHBondContact O-N 2.83Å; S548-D552 PolarHBondContact OG-OD2 3.5Å
549	I	84.4	Confident	74.8	Confident	32 Å²	32	86 Å²	86	16%	0.164	47%	0.468	C	S	.	.	H	α-helix	trans	-56.7	-38.8	-179.2	-59.3	166.3	0	0	0	110.5	T526 P529 L541 T545 V546 D552 K553	T526-I549 HydrophobicContact CG2-CG2 4.03Å; P529-I549 HydrophobicContact CB-CD1 4.32Å; L541-I549 HydrophobicContact CD1-CD1 3.88Å; T545-I549 HydrophobicContact CG2-CD1 4.15Å; T545-I549 WeakPolarHBondContact O-CG1 3.41Å; T545-I549 PolarHBondContact O-N 2.89Å; V546-I549 PolarHBondContact O-N 2.93Å; I549-D552 PolarHBondContact O-N 3.46Å; I549-K553 HydrophobicContact CG2-CD 4.13Å; I549-K553 HydrophobicContact CG2-CG 4.43Å; I549-K553 VanDerWaalsContact O-CB 3.27Å; I549-K553 WeakPolarHBondContact O-CB 3.41Å; I549-K553 PolarHBondContact O-N 3.42Å
550	M	81.6	Confident	73.3	Confident	41 Å²	41	90 Å²	90	20%	0.202	48%	0.479	C	S	.	.	H	α-helix	trans	-62.7	-50.5	173.1	-71.2	179.1	79.3	0	0	112.7	Y522 T526 V546 S548 D552 M554	Y522-M550 HydrophobicContact CE1-CE 4.01Å; Y522-M550 HydrophobicContact CE1-CG 4.18Å; Y522-M550 HydrophobicContact CE1-SD 3.9Å; T526-M550 HydrophobicContact CG2-CG 4.05Å; V546-M550 HydrophobicContact CG1-CG 4.26Å; V546-M550 HydrophobicContact CG1-SD 3.96Å; V546-M550 WeakPolarHBondContact O-CB 3.48Å; V546-M550 VanDerWaalsContact O-CG 3.28Å; V546-M550 WeakPolarHBondContact O-CG 3.49Å; V546-M550 PolarHBondContact O-N 3.48Å; S548-M550 PolarHBondContact O-N 3.26Å; S548-M550 VanDerWaalsContact O-N 3.16Å; M550-D552 PolarHBondContact O-N 3.44Å; M550-M554 HydrophobicContact CB-CG 4.33Å; M550-M554 HydrophobicContact CB-SD 4.03Å; M550-M554 HydrophobicContact CE-CE 4.23Å; M550-M554 HydrophobicContact CE-SD 3.38Å; M550-M554 WeakPolarHBondContact CE-SD 3.14Å; M550-M554 HydrophobicContact CG-SD 3.96Å; M550-M554 VanDerWaalsContact O-CB 3.29Å; M550-M554 WeakPolarHBondContact O-CB 3.43Å; M550-M554 PolarHBondContact O-N 3.07Å
551	R	80.9	Confident	71.2	Confident	157 Å²	157	94.3 Å²	94.3	59%	0.592	48%	0.482	S	S	*	.	H	α-helix	trans	-59.1	-35.1	176.4	-81.2	-169.6	-66.9	86.4	-0.9	113.1	E547 S548	E547-R551 WeakPolarHBondContact O-CB 3.41Å; E547-R551 WeakPolarHBondContact O-CG 3.41Å; E547-R551 PolarHBondContact O-N 2.9Å; S548-R551 VanDerWaalsContact CA-NH2 3.33Å; S548-R551 VanDerWaalsContact CB-NH2 3.33Å; S548-R551 PolarHBondContact O-N 2.87Å; S548-R551 PolarHBondContact OG-NH2 2.93Å
552	D	79.9	Confident	68.8	Low	102 Å²	102	102.7 Å²	102.7	55%	0.545	51%	0.51	S	S	.	.	H	α-helix	trans	-93.1	-19.2	-169	-52.7	-28.2	0	0	0	111.9	S548 I549 M550	S548-D552 VanDerWaalsContact C-OD2 3.31Å; S548-D552 VanDerWaalsContact O-CB 3.29Å; S548-D552 WeakPolarHBondContact O-CB 3.37Å; S548-D552 PolarHBondContact O-N 2.83Å; S548-D552 PolarHBondContact OG-OD2 3.5Å; I549-D552 PolarHBondContact O-N 3.46Å; M550-D552 PolarHBondContact O-N 3.44Å
553	K	80.3	Confident	65.9	Low	103 Å²	103	107.7 Å²	107.7	45%	0.448	52%	0.524	S	S	.	.	H	α-helix	trans	-133.9	-10.4	-174.9	-59.8	-164.7	177.6	-168.1	0	117.8	N523 T525 I549	N523-K553 PolarHBondContact ND2-O 3.47Å; T525-K553 VanDerWaalsContact O-CD 3.26Å; T525-K553 WeakPolarHBondContact O-CD 3.47Å; T525-K553 PolarHBondContact O-NZ 2.83Å; I549-K553 HydrophobicContact CG2-CD 4.13Å; I549-K553 HydrophobicContact CG2-CG 4.43Å; I549-K553 VanDerWaalsContact O-CB 3.27Å; I549-K553 WeakPolarHBondContact O-CB 3.41Å; I549-K553 PolarHBondContact O-N 3.42Å
554	M	79.4	Confident	63.6	Low	44 Å²	44	102.5 Å²	102.5	22%	0.217	51%	0.509	C	S	.	.	S	Bend	trans	-80	152.2	170	-70.3	-173.1	110.1	0	0	111.2	Y521 Y522 M550	Y521-M554 VanDerWaalsContact O-CE 3.26Å; Y521-M554 WeakPolarHBondContact O-CE 3.41Å; Y522-M554 HydrophobicContact CD1-CE 4.13Å; M550-M554 HydrophobicContact CB-CG 4.33Å; M550-M554 HydrophobicContact CB-SD 4.03Å; M550-M554 HydrophobicContact CE-CE 4.23Å; M550-M554 HydrophobicContact CE-SD 3.38Å; M550-M554 WeakPolarHBondContact CE-SD 3.14Å; M550-M554 HydrophobicContact CG-SD 3.96Å; M550-M554 VanDerWaalsContact O-CB 3.29Å; M550-M554 WeakPolarHBondContact O-CB 3.43Å; M550-M554 PolarHBondContact O-N 3.07Å
555	P	67.3	Low	61.1	Low	45 Å²	45	110.1 Å²	110.1	29%	0.292	52%	0.523	S	S	.	.			trans	-57.1	140.3	163.6	-19.5	32.5	0	0	0	110.5	L480 T481 K557	L480-P555 HydrophobicContact CB-CG 4.27Å; L480-P555 WeakPolarHBondContact O-CB 3.19Å; L480-P555 WeakPolarHBondContact O-CG 3.34Å; T481-P555 HydrophobicContact CG2-CB 4.24Å; T481-P555 HydrophobicContact CG2-CG 4.15Å; P555-K557 PolarHBondContact O-N 2.89Å
556	K	65.7	Low	58.8	Low	186 Å²	186	115.9 Å²	115.9	81%	0.809	54%	0.538	S	S	*	.			trans	-86.1	98.7	-174.3	-66.7	173.3	-176.2	168.3	0	109.9	G558	K556-G558 PolarHBondContact O-N 3.23Å
557	K	48.8	Very low	56.1	Low	106 Å²	106	118.2 Å²	118.2	46%	0.461	57%	0.566	S	S	.	*			trans	-47.5	132.3	169.9	-78.3	-159.6	173.3	-156.3	0	110.5	E485 P555 G559	E485-K557 IonicContact OE1-NZ 3.89Å; E485-K557 PolarHBondContact OE1-NZ 3Å; P555-K557 PolarHBondContact O-N 2.89Å; K557-G559 PolarHBondContact O-N 2.85Å
558	G	43.4	Very low	54	Low	62 Å²	62	121.2 Å²	121.2	64%	0.639	57%	0.572	S	S	*	*	S	Bend	trans	-77.8	87.1	-172.8	0	0	0	0	0	112.7	N483 K556	N483-G558 PolarHBondContact OD1-N 3.39Å; K556-G558 PolarHBondContact O-N 3.23Å
559	G	32.6	Very low	51.3	Low	71 Å²	71	122.6 Å²	122.6	73%	0.732	58%	0.577	S	S	*	*			trans	-151.6	119	177.5	0	0	0	0	0	113.6	K557	K557-G559 PolarHBondContact O-N 2.85Å
560	R	45.8	Very low	48.7	Very low	231 Å²	231	123.4 Å²	123.4	87%	0.872	59%	0.586	S	S	*	*			trans	-94.6	162	165.7	-45.1	-174.9	-166.5	-145.9	1.8	107.1
561	W	35	Very low	46.3	Very low	197 Å²	197	126.1 Å²	126.1	75%	0.746	61%	0.605	S	S	*	*			cis	-168.9	143.1	20.1	-155.9	24.9	0	0	0	109.4	S564	W561-S564 VanDerWaalsContact CE2-OG 3.27Å; W561-S564 WeakPolarHBondContact CZ2-OG 3.47Å; W561-S564 PolarHBondContact NE1-OG 3.05Å; W561-S564 VanDerWaalsContact NE1-OG 3.11Å
562	W	31.1	Very low	44	Very low	221 Å²	221	124.9 Å²	124.9	84%	0.837	61%	0.608	S	S	*	*	S	Bend	trans	-179.7	83.5	137.4	63.4	-55.2	0	0	0	112.5
563	F	28.6	Very low	41.7	Very low	189 Å²	189	126.9 Å²	126.9	83%	0.829	61%	0.612	S	S	*	*			trans	-178.9	93.5	140.2	-97.5	-59.5	0	0	0	108.8
564	S	33.1	Very low	39.2	Very low	63 Å²	63	129 Å²	129	44%	0.441	62%	0.624	S	S	.	*			trans	-143.9	98.4	175.3	55.5	0	0	0	0	110.8	W561	W561-S564 VanDerWaalsContact CE2-OG 3.27Å; W561-S564 WeakPolarHBondContact CZ2-OG 3.47Å; W561-S564 PolarHBondContact NE1-OG 3.05Å; W561-S564 VanDerWaalsContact NE1-OG 3.11Å
565	W	29.1	Very low	36.6	Very low	231 Å²	231	134.8 Å²	134.8	88%	0.875	65%	0.65	S	S	*	*			trans	-136.3	114.4	168.1	-80.1	51.3	0	0	0	105.5
566	R	36.3	Very low	34.7	Very low	182 Å²	182	138.4 Å²	138.4	69%	0.687	67%	0.672	S	S	*	*	S	Bend	cis	-132.6	170.3	-9.6	-51.5	177.8	-173	-127.3	8.5	106.6	D180	D180-R566 IonicContact OD1-NH1 2.69Å; D180-R566 PolarHBondContact OD1-NH1 2.78Å; D180-R566 IonicContact OD2-CZ 3.71Å; D180-R566 IonicContact OD2-NH1 3.72Å; D180-R566 PolarHBondContact OD2-NH1 3.3Å; D180-R566 IonicContact OD2-NH2 2.65Å
567	G	26.1	Very low	32.9	Very low	70 Å²	70	138.8 Å²	138.8	72%	0.722	67%	0.673	S	S	*	*			cis	-158.2	163.7	-4.9	0	0	0	0	0	107.9
568	R	40.3	Very low	32.3	Very low	177 Å²	177	138.2 Å²	138.2	67%	0.668	68%	0.681	S	S	*	*			trans	-93.7	-151.6	178.8	-149.2	-169.6	177.7	179.1	-3	110.2
569	N	27.1	Very low	31.5	Very low	65 Å²	65	142.6 Å²	142.6	35%	0.348	68%	0.684	S	S	.	*			trans	154.8	102.9	173.2	-76.3	71.3	0	0	0	112.5	G182 D183 T184	G182-N569 WeakPolarHBondContact O-CB 3.27Å; D183-N569 HydrophobicContact CB-CB 4.25Å; D183-N569 WeakPolarHBondContact OD1-CA 3.48Å; D183-N569 WeakPolarHBondContact OD1-CB 3.43Å; D183-N569 PolarHBondContact OD1-ND2 3.02Å; T184-N569 CarbonylContact C-O 3.34Å; T184-N569 WeakPolarHBondContact CA-O 3.34Å; T184-N569 WeakPolarHBondContact CB-O 3.46Å; T184-N569 PolarHBondContact N-O 3.01Å; T184-N569 PolarHBondContact OG1-O 3.49Å
570	S	30.2	Very low	31.3	Very low	49 Å²	49	146.7 Å²	146.7	34%	0.343	68%	0.684	S	S	.	*			trans	-105.5	170.9	-156	53.6	0	0	0	0	119.4	D183	D183-S570 PolarHBondContact OD1-N 3.18Å
571	T	30.4	Very low	30.2	Very low	97 Å²	97	141.9 Å²	141.9	60%	0.595	68%	0.676	S	S	*	*			trans	95.9	155.5	159.1	73.9	0	0	0	0	117.1
572	I	34.4	Very low	29.9	Very low	131 Å²	131	139.4 Å²	139.4	67%	0.672	68%	0.676	S	S	*	*			cis	-151.9	118.3	16.4	-141.7	151.5	0	0	0	110.3
573	K	30.3	Very low	29.6	Very low	144 Å²	144	134.6 Å²	134.6	63%	0.626	68%	0.676	S	S	*	*				83.7	138.9	97.1	-74.8	-171.6	79.1	-138.6	0	119.3
574	E	27.8	Very low	29.4	Very low	149 Å²	149	128.6 Å²	128.6	70%	0.696	67%	0.668	S	S	*	*			trans	71.4	151.4	150.4	-72.6	162.7	160.3	0	0	120
575	E	25.7	Very low	29	Very low	165 Å²	165	131.8 Å²	131.8	77%	0.771	69%	0.69	S	S	*	*			cis	-171.2	174.8	-42.2	-129.7	-149.8	137.6	0	0	110.3
576	T	28.1	Very low	28.8	Very low	120 Å²	120	123.7 Å²	123.7	74%	0.736	68%	0.678	S	S	*	*			trans	68.6	106	158.4	49.5	0	0	0	0	122.7
577	K	26.8	Very low	28.4	Very low	195 Å²	195	122.4 Å²	122.4	85%	0.848	68%	0.684	S	S	*	*			trans	-17.7	166.6	130.9	-87	-164	170.1	-167.1	0	118.3
578	P	37.2	Very low	28.3	Very low	94 Å²	94	125.8 Å²	125.8	61%	0.61	69%	0.691	S	S	*	*			cis	-145.5	-172.1	-32.4	40.5	-21	0	0	0	115.2
579	E	25.7	Very low	27.7	Very low	154 Å²	154	120.5 Å²	120.5	72%	0.72	69%	0.691	S	S	*	*			trans	88	146.5	142.5	-98.7	179.2	-113	0	0	124.2
580	Q	27.6	Very low	27.6	Very low	157 Å²	157	127 Å²	127	73%	0.734	72%	0.719	S	S	*	*			trans	82.7	112.4	155.7	-72	169.6	39	0	0	122.5
581	D	22.5	Very low	27.5	Very low	129 Å²	129	131.2 Å²	131.2	69%	0.69	74%	0.738	S	S	*	*			trans	75.9	105.9	133.6	-77.9	19.8	0	0	0	124.8
582	I	29.5	Very low	27.4	Very low	146 Å²	146	131.1 Å²	131.1	75%	0.749	74%	0.741	S	S	*	*				61.8	128.6	110.9	-66.2	172.8	0	0	0	119.9
583	S	24.4	Very low	27.1	Very low	119 Å²	119	129.3 Å²	129.3	83%	0.832	74%	0.74	S	S	*	*			trans	66.9	126.1	159.2	-175.9	0	0	0	0	117.5
584	G	25.1	Very low	26.8	Very low	64 Å²	64	130.7 Å²	130.7	66%	0.66	75%	0.749	S	S	*	*			cis	141.1	171.7	6.3	0	0	0	0	0	111.7
585	S	24	Very low	26.7	Very low	130 Å²	130	132.1 Å²	132.1	91%	0.909	76%	0.758	S	S	*	*			trans	69.1	156.6	171.6	-158.7	0	0	0	0	118.1
586	G	25.8	Very low	26.6	Very low	60 Å²	60	133.3 Å²	133.3	62%	0.619	77%	0.766	S	S	*	*			trans	84.3	91.7	175.5	0	0	0	0	0	113.8
587	L	27	Very low	26.5	Very low	156 Å²	156	131.8 Å²	131.8	82%	0.817	77%	0.765	S	S	*	*				61.6	126.2	68.2	-61.3	172.8	0	0	0	114.8
588	T	25.4	Very low	26.5	Very low	141 Å²	141	129.6 Å²	129.6	87%	0.865	76%	0.763	S	S	*	*			trans	51.7	121.1	155	55.8	0	0	0	0	118.2
589	G	26.1	Very low	25.9	Very low	65 Å²	65	135.9 Å²	135.9	67%	0.67	77%	0.774	S	S	*	*			cis	136.2	156.8	6.3	0	0	0	0	0	110.6
590	E	26.1	Very low	26	Very low	201 Å²	201	136.1 Å²	136.1	94%	0.939	78%	0.779	S	S	*	*			trans	67.1	148.8	171	-51.8	174.7	141.8	0	0	113.9
591	D	27.8	Very low	25.9	Very low	139 Å²	139	135.8 Å²	135.8	74%	0.743	78%	0.775	S	S	*	*			cis	-151.6	164.8	-1.7	-161.6	-17.7	0	0	0	108.9
592	S	27.2	Very low	26	Very low	94 Å²	94	137.6 Å²	137.6	66%	0.657	79%	0.785	S	S	*	*			trans	48.7	141.9	144.2	-81.8	0	0	0	0	122.1
593	S	28.1	Very low	25.8	Very low	93 Å²	93	137.4 Å²	137.4	65%	0.65	78%	0.781	S	S	*	*			cis	-171.4	163.6	16.6	-129.6	0	0	0	0	112.9
594	Q	25.6	Very low	25.8	Very low	173 Å²	173	137.6 Å²	137.6	81%	0.808	78%	0.782	S	S	*	*			trans	66.1	135.2	165.3	-57.2	171.2	23.5	0	0	116
595	M	24.7	Very low	25.7	Very low	180 Å²	180	140 Å²	140	89%	0.887	79%	0.789	S	S	*	*			cis	-147.5	-179.1	43.3	-86	-166.4	163.8	0	0	114.2
596	M	23.7	Very low	25.9	Very low	190 Å²	190	139.4 Å²	139.4	94%	0.936	78%	0.784	S	S	*	*			trans	-81.2	142.3	178.4	-52.8	173.7	-177.5	0	0	113.9
597	A	25.6	Very low	25.8	Very low	87 Å²	87	142.1 Å²	142.1	72%	0.719	79%	0.794	S	S	*	*			trans	-173.2	132.1	131.2	0	0	0	0	0	114.9
598	N	26.5	Very low	25.9	Very low	150 Å²	150	141.6 Å²	141.6	80%	0.802	79%	0.792	S	S	*	*			trans	47.1	112.1	140.8	-61.8	-27.3	0	0	0	123.4
599	R	26.5	Very low	26.2	Very low	225 Å²	225	143.7 Å²	143.7	85%	0.849	79%	0.792	S	S	*	*				45.7	101.6	127.5	-70.7	-176.4	171.3	176.8	-2.6	119.9
600	I	27.3	Very low	26.3	Very low	160 Å²	160	147.5 Å²	147.5	82%	0.821	80%	0.797	S	S	*	*				39.2	112.6	108.5	-53.2	160.6	0	0	0	116
601	K	25.4	Very low	27.7	Very low	149 Å²	149	142.2 Å²	142.2	65%	0.648	78%	0.78	S	S	*	*				-171.1	106	98.5	-176.2	161.6	-179.6	165.2	0	113.4	E603	K601-E603 HydrophobicContact CD-CG 4.44Å; K601-E603 WeakPolarHBondContact CE-OE1 3.21Å; K601-E603 HydrophobicContact CG-CG 4.33Å; K601-E603 IonicContact NZ-OE1 3.77Å; K601-E603 PolarHBondContact NZ-OE1 3.15Å
602	D	23.4	Very low	27.5	Very low	168 Å²	168	147.2 Å²	147.2	90%	0.898	79%	0.788	S	S	*	*			trans	-102.8	151.8	153.6	-78.2	-61.2	0	0	0	109.8
603	E	25.7	Very low	27.5	Very low	142 Å²	142	147.4 Å²	147.4	66%	0.664	80%	0.796	S	S	*	*			trans	-131.8	110.9	177	-78.9	-94.9	-168.3	0	0	108.9	K601	K601-E603 HydrophobicContact CD-CG 4.44Å; K601-E603 WeakPolarHBondContact CE-OE1 3.21Å; K601-E603 HydrophobicContact CG-CG 4.33Å; K601-E603 IonicContact NZ-OE1 3.77Å; K601-E603 PolarHBondContact NZ-OE1 3.15Å
604	S	25.1	Very low	27.6	Very low	122 Å²	122	147.1 Å²	147.1	85%	0.853	80%	0.799	S	S	*	*			trans	-165.1	140.5	162.4	-87.6	0	0	0	0	114
605	S	23.7	Very low	27.7	Very low	116 Å²	116	147.4 Å²	147.4	81%	0.811	80%	0.798	S	S	*	*			trans	79.1	106.2	153.6	-134.5	0	0	0	0	121
606	S	28	Very low	28	Very low	116 Å²	116	146.9 Å²	146.9	81%	0.811	79%	0.793	S	S	*	*				53.3	112.1	116.1	-172.3	0	0	0	0	121.5
607	S	23.6	Very low	28	Very low	118 Å²	118	145 Å²	145	83%	0.825	79%	0.787	S	S	*	*				-170	157.9	125.8	-170.2	0	0	0	0	111.4
608	D	29.4	Very low	28.1	Very low	145 Å²	145	145.5 Å²	145.5	78%	0.775	79%	0.791	S	S	*	*			trans	-88.3	-178.3	173.4	-75	-62.4	0	0	0	113.7
609	E	30	Very low	28	Very low	184 Å²	184	142.1 Å²	142.1	86%	0.86	79%	0.792	S	S	*	*			trans	99.1	150.8	161.7	-63.3	-57.9	132.3	0	0	120.8
610	D	28.1	Very low	28.2	Very low	145 Å²	145	136.2 Å²	136.2	78%	0.775	79%	0.785	S	S	*	*			trans	-118.3	-159.9	-153	-152.8	13.5	0	0	0	112.6
611	P	56.1	Low	28.3	Very low	91 Å²	91	136.8 Å²	136.8	59%	0.591	79%	0.788	S	S	*	*				-123.5	161.1	-119.4	39.5	-22	0	0	0	116.9
612	R	24.6	Very low	28.5	Very low	243 Å²	243	137.6 Å²	137.6	92%	0.917	79%	0.794	S	S	*	*			trans	-166.9	130.8	147	-116.6	161.5	-75.7	-176.3	-2.7	115.8
613	A	27.3	Very low	28.8	Very low	98 Å²	98	136 Å²	136	81%	0.81	79%	0.791	S	S	*	*			trans	18.3	132.7	156.4	0	0	0	0	0	120.4
614	A	28.9	Very low	29.1	Very low	87 Å²	87	136.5 Å²	136.5	72%	0.719	80%	0.798	S	S	*	*				-174.4	149.2	59.6	0	0	0	0	0	116.3
615	K	27.9	Very low	29.4	Very low	180 Å²	180	136.2 Å²	136.2	78%	0.783	80%	0.796	S	S	*	*			trans	50.1	123.3	143.6	-67.6	179	-179.3	176.9	0	122.5
616	Q	31	Very low	30	Very low	169 Å²	169	135 Å²	135	79%	0.79	79%	0.788	S	S	*	*			trans	72.4	145.9	135.3	-66.6	171.4	-20.6	0	0	117.9
617	N	24.6	Very low	30.3	Very low	151 Å²	151	138 Å²	138	81%	0.807	79%	0.789	S	S	*	*			cis	-149	174.1	-2.2	-145.8	-4.9	0	0	0	113.4
618	A	26.1	Very low	30.9	Very low	97 Å²	97	140.7 Å²	140.7	80%	0.802	79%	0.793	S	S	*	*			trans	-39.2	146.3	-176.2	0	0	0	0	0	119.8
619	G	26	Very low	31.1	Very low	79 Å²	79	138.6 Å²	138.6	81%	0.814	79%	0.789	S	S	*	*			trans	-165.7	89.1	169.1	0	0	0	0	0	112.9
620	S	29.9	Very low	31.6	Very low	101 Å²	101	138 Å²	138	71%	0.706	79%	0.791	S	S	*	*			trans	-70.6	139.5	-173.7	178.7	0	0	0	0	114.5
621	L	28.5	Very low	32	Very low	171 Å²	171	138 Å²	138	90%	0.895	79%	0.791	S	S	*	*			trans	-149.5	131.1	132	-140.8	75.9	0	0	0	111.1
622	Q	31.6	Very low	31.4	Very low	166 Å²	166	138.7 Å²	138.7	78%	0.776	80%	0.797	S	S	*	*			trans	-93.8	143.9	-179.7	-67.4	172.5	-34.9	0	0	111.4
623	T	29.5	Very low	32.7	Very low	136 Å²	136	130 Å²	130	83%	0.834	78%	0.784	S	S	*	*			trans	-127.7	143.6	161.4	54.4	0	0	0	0	109.8	S625	T623-S625 PolarHBondContact O-N 3Å
624	N	30.4	Very low	34.5	Very low	151 Å²	151	127.6 Å²	127.6	81%	0.807	76%	0.759	S	S	*	*			trans	-85.2	117.7	-157.9	-62.1	-45	0	0	0	113.3
625	S	32.3	Very low	36.6	Very low	116 Å²	116	124.9 Å²	124.9	81%	0.811	74%	0.735	S	S	*	*			trans	-142.9	67.5	164.9	-167.2	0	0	0	0	110.1	T623	T623-S625 PolarHBondContact O-N 3Å
626	S	35.5	Very low	39	Very low	90 Å²	90	118.7 Å²	118.7	63%	0.629	71%	0.707	S	S	*	*			trans	-141.4	55.7	-164.9	47.2	0	0	0	0	113
627	H	34.6	Very low	41.5	Very low	180 Å²	180	112.6 Å²	112.6	83%	0.833	68%	0.678	S	S	*	*	S	Bend	trans	-145.5	22.1	172.2	-138.2	-73.3	0	0	0	117.5
628	L	35.8	Very low	44.3	Very low	174 Å²	174	108.5 Å²	108.5	91%	0.911	65%	0.653	S	S	*	*	S	Bend	trans	-132.1	5.9	167.4	-74.7	177.8	0	0	0	114.3	L630	L628-L630 PolarHBondContact O-N 2.85Å
629	S	34.8	Very low	47.3	Very low	101 Å²	101	105.4 Å²	105.4	71%	0.706	62%	0.624	S	S	*	*			trans	-96.2	28.8	-167.9	-40.1	0	0	0	0	114.9
630	L	39	Very low	50.3	Low	172 Å²	172	104.4 Å²	104.4	90%	0.901	60%	0.599	S	S	*	*			trans	-123.4	30.4	-174.3	-72.5	176.2	0	0	0	114.2	L628	L628-L630 PolarHBondContact O-N 2.85Å
631	L	38.5	Very low	53.3	Low	145 Å²	145	103 Å²	103	76%	0.759	58%	0.579	S	S	*	*	S	Bend	trans	-135	114.5	164.2	-72.1	173.8	0	0	0	109.1
632	S	42.6	Very low	56.4	Low	105 Å²	105	95.6 Å²	95.6	73%	0.734	54%	0.54	S	S	*	.			trans	41.5	97.8	169	56.5	0	0	0	0	116.9	V634	S632-V634 PolarHBondContact O-N 3.37Å
633	G	52.6	Low	59.3	Low	62 Å²	62	90.9 Å²	90.9	64%	0.639	52%	0.522	S	S	*	.			trans	-74.5	60.2	171.5	0	0	0	0	0	113.6	N94	N94-G633 WeakPolarHBondContact CB-O 2.85Å
634	V	65	Low	62.4	Low	46 Å²	46	85.5 Å²	85.5	28%	0.279	49%	0.49	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	127.9	171.2	179.8	0	0	0	0	108.6	E91 S632 Y636	E91-V634 HydrophobicContact CB-CG1 4.03Å; S632-V634 PolarHBondContact O-N 3.37Å; V634-Y636 HydrophobicContact CB-CE2 4.21Å; V634-Y636 HydrophobicContact CG1-CE1 4.27Å; V634-Y636 HydrophobicContact CG1-CE2 3.91Å; V634-Y636 WeakPolarHBondContact O-CE2 3.39Å
635	S	73.1	Confident	65.5	Low	30 Å²	30	83.2 Å²	83.2	21%	0.21	48%	0.478	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	158	175.2	71.2	0	0	0	0	110.7	M92 I99	M92-S635 WeakPolarHBondContact CB-OG 3.44Å; M92-S635 PolarHBondContact N-O 2.89Å; M92-S635 PolarHBondContact O-N 3.38Å; M92-S635 PolarHBondContact O-OG 2.87Å; I99-S635 WeakPolarHBondContact CD1-OG 3.46Å
636	Y	77.2	Confident	68.4	Low	51 Å²	51	80.7 Å²	80.7	20%	0.2	45%	0.454	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	122.9	-173.4	-57.7	-102	0	0	0	111.5	V89 Q90 E91 T105 P107 V634	V89-Y636 HydrophobicContact CG1-CD1 3.76Å; V89-Y636 HydrophobicContact CG1-CG 4.36Å; Q90-Y636 CarbonylContact O-C 3.51Å; Q90-Y636 WeakPolarHBondContact O-CA 3.38Å; E91-Y636 HydrophobicContact CB-CD1 4.44Å; E91-Y636 HydrophobicContact CB-CE1 4.41Å; E91-Y636 HydrophobicContact CG-CD1 3.86Å; E91-Y636 HydrophobicContact CG-CE1 3.66Å; E91-Y636 WeakPolarHBondContact OE1-CE1 3.4Å; T105-Y636 PolarHBondContact N-O 2.85Å; T105-Y636 VanDerWaalsContact N-O 3.11Å; T105-Y636 WeakPolarHBondContact O-CB 3.41Å; P107-Y636 HydrophobicContact CB-CD1 4.16Å; P107-Y636 HydrophobicContact CB-CE1 3.59Å; P107-Y636 HydrophobicContact CG-CE1 4.08Å; P107-Y636 HydrophobicContact CG-CE2 4.32Å; V634-Y636 HydrophobicContact CB-CE2 4.21Å; V634-Y636 HydrophobicContact CG1-CE1 4.27Å; V634-Y636 HydrophobicContact CG1-CE2 3.91Å; V634-Y636 WeakPolarHBondContact O-CE2 3.39Å
637	K	83.4	Confident	71.2	Confident	41 Å²	41	76.4 Å²	76.4	18%	0.178	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	136.1	-176	-170.6	169.3	175.9	178.4	0	110.1	Q90 M92 E97 I99 L103	Q90-K637 PolarHBondContact N-O 3.37Å; Q90-K637 PolarHBondContact O-N 3.44Å; M92-K637 HydrophobicContact SD-CB 3.85Å; M92-K637 HydrophobicContact SD-CD 3.36Å; M92-K637 WeakPolarHBondContact SD-CD 3.49Å; M92-K637 HydrophobicContact SD-CG 4.27Å; E97-K637 IonicContact OE1-NZ 3.22Å; E97-K637 PolarHBondContact OE1-NZ 3.2Å; E97-K637 IonicContact OE2-NZ 2.55Å; E97-K637 PolarHBondContact OE2-NZ 2.87Å; I99-K637 HydrophobicContact CD1-CB 4.21Å; I99-K637 HydrophobicContact CG2-CG 4.38Å; L103-K637 HydrophobicContact CB-CG 4.43Å; L103-K637 CarbonylContact O-C 3.54Å; L103-K637 WeakPolarHBondContact O-CA 3.46Å
638	K	83.3	Confident	74	Confident	65 Å²	65	71.9 Å²	71.9	28%	0.283	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73	129.4	168.7	-62.3	177.7	-171.6	148.8	0	108.9	F87 H102 L103 S104 T105	F87-K638 HydrophobicContact CD1-CD 4.4Å; F87-K638 HydrophobicContact CD2-CB 3.98Å; F87-K638 HydrophobicContact CD2-CD 4.19Å; F87-K638 HydrophobicContact CD2-CG 3.64Å; F87-K638 HydrophobicContact CE1-CD 4.3Å; F87-K638 HydrophobicContact CE2-CB 4.47Å; F87-K638 HydrophobicContact CE2-CD 4.1Å; F87-K638 HydrophobicContact CE2-CG 3.64Å; F87-K638 HydrophobicContact CG-CB 4.35Å; F87-K638 HydrophobicContact CG-CD 4.35Å; F87-K638 HydrophobicContact CG-CG 4.19Å; F87-K638 HydrophobicContact CZ-CD 4.16Å; F87-K638 HydrophobicContact CZ-CG 4.2Å; H102-K638 PolarHBondContact O-NZ 2.94Å; L103-K638 WeakPolarHBondContact O-CG 3.36Å; L103-K638 PolarHBondContact O-N 3.07Å; S104-K638 WeakPolarHBondContact O-CE 3.38Å; S104-K638 PolarHBondContact O-NZ 2.93Å; T105-K638 HydrophobicContact CG2-CG 3.89Å
639	T	88.8	Confident	76.7	Confident	31 Å²	31	66.7 Å²	66.7	19%	0.19	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	148.6	168.8	-177.7	0	0	0	0	111	F88 Q90 R641	F88-T639 HydrophobicContact CB-CG2 3.79Å; F88-T639 PolarHBondContact N-O 3.35Å; F88-T639 PolarHBondContact O-N 2.95Å; Q90-T639 HydrophobicContact CB-CG2 4.13Å; T639-R641 WeakPolarHBondContact CG2-O 3.48Å; T639-R641 PolarHBondContact OG1-N 3.1Å; T639-R641 PolarHBondContact OG1-O 2.82Å
640	L	89.1	Confident	79.5	Confident	58 Å²	58	62.5 Å²	62.5	30%	0.304	35%	0.349	S	S	.	.	S	Bend	trans	-104.6	0.4	169	-59.4	-178.6	0	0	0	111.6	P47 F48 F87	P47-L640 CarbonylContact C-O 3.58Å; P47-L640 WeakPolarHBondContact CA-O 3.38Å; P47-L640 HydrophobicContact CB-CB 3.93Å; P47-L640 HydrophobicContact CB-CD1 4.49Å; F48-L640 PolarHBondContact N-O 3.07Å; F87-L640 HydrophobicContact CB-CD2 3.79Å
641	R	93.1	Very high	82.1	Confident	73 Å²	73	62.1 Å²	62.1	28%	0.275	34%	0.34	S	S	.	.	S	Bend	trans	-120.6	137.8	179.5	-72.6	176	167.4	-125.6	-1.6	109.9	C45 T639 D794	C45-R641 PolarHBondContact O-NE 2.86Å; C45-R641 PolarHBondContact O-NH1 3.45Å; T639-R641 WeakPolarHBondContact CG2-O 3.48Å; T639-R641 PolarHBondContact OG1-N 3.1Å; T639-R641 PolarHBondContact OG1-O 2.82Å; R641-D794 IonicContact CZ-OD1 3.27Å; R641-D794 IonicContact CZ-OD2 2.7Å; R641-D794 IonicContact NH2-OD1 3.34Å; R641-D794 PolarHBondContact NH2-OD1 2.9Å; R641-D794 IonicContact NH2-OD2 2.64Å; R641-D794 PolarHBondContact NH2-OD2 3.01Å
642	L	93.6	Very high	84.8	Confident	14 Å²	14	56.2 Å²	56.2	7%	0.073	31%	0.309	C	S	.	.			trans	-86	154.1	174.6	-69.4	176.7	0	0	0	110.5	F48 L76 F88 Q646 L647 L650	F48-L642 HydrophobicContact CE2-CD1 3.91Å; F48-L642 HydrophobicContact CE2-CG 4.11Å; F48-L642 HydrophobicContact CZ-CD1 3.77Å; F48-L642 HydrophobicContact CZ-CG 4.44Å; L76-L642 HydrophobicContact CD1-CD1 4.41Å; F88-L642 HydrophobicContact CD1-CD2 3.83Å; F88-L642 HydrophobicContact CD2-CD2 3.82Å; F88-L642 HydrophobicContact CD2-CG 4.22Å; F88-L642 HydrophobicContact CE1-CD2 3.73Å; F88-L642 HydrophobicContact CE1-CG 4.44Å; F88-L642 HydrophobicContact CE2-CD1 4.31Å; F88-L642 HydrophobicContact CE2-CD2 3.72Å; F88-L642 HydrophobicContact CE2-CG 3.76Å; F88-L642 HydrophobicContact CG-CD2 3.88Å; F88-L642 HydrophobicContact CZ-CD1 4.02Å; F88-L642 HydrophobicContact CZ-CD2 3.68Å; F88-L642 HydrophobicContact CZ-CG 3.9Å; L642-Q646 HydrophobicContact CB-CB 4Å; L642-Q646 HydrophobicContact CD2-CB 4.11Å; L642-Q646 HydrophobicContact CG-CB 4.45Å; L642-L647 HydrophobicContact CB-CD2 3.97Å; L642-L647 HydrophobicContact CB-CG 3.87Å; L642-L647 HydrophobicContact CD1-CD2 4.04Å; L642-L650 HydrophobicContact CD1-CD1 4.13Å
643	T	93.9	Very high	87.3	Confident	67 Å²	67	57.1 Å²	57.1	41%	0.411	30%	0.3	S	S	.	.			trans	-71.7	161.9	170.5	69.1	0	0	0	0	110.9	D645 Q646 L647	T643-D645 PolarHBondContact O-N 3.46Å; T643-D645 VanDerWaalsContact O-N 3.12Å; T643-Q646 PolarHBondContact O-N 3.11Å; T643-Q646 WeakPolarHBondContact OG1-CG 2.95Å; T643-Q646 PolarHBondContact OG1-N 2.82Å; T643-Q646 PolarHBondContact OG1-OE1 3.37Å; T643-L647 WeakPolarHBondContact O-CG 3.45Å; T643-L647 PolarHBondContact O-N 3.1Å
644	S	94.4	Very high	89.3	Confident	23 Å²	23	59.5 Å²	59.5	16%	0.161	30%	0.298	C	S	.	.	H	α-helix	trans	-58.2	-29.4	178.8	-178.2	0	0	0	0	113.1	N42 L43 K648	N42-S644 WeakPolarHBondContact CA-OG 3.43Å; N42-S644 PolarHBondContact OD1-OG 2.96Å; L43-S644 PolarHBondContact N-OG 2.9Å; L43-S644 WeakPolarHBondContact O-CA 3.39Å; L43-S644 WeakPolarHBondContact O-CB 3.49Å; S644-K648 WeakPolarHBondContact O-CD 3.29Å; S644-K648 WeakPolarHBondContact O-CG 3.38Å; S644-K648 PolarHBondContact O-N 2.78Å; S644-K648 WeakPolarHBondContact OG-CE 3.35Å; S644-K648 PolarHBondContact OG-NZ 3.13Å
645	D	93.9	Very high	90.6	Very high	104 Å²	104	58.1 Å²	58.1	56%	0.556	29%	0.294	S	S	*	.	H	α-helix	trans	-86.2	-31.2	-176.5	-56.7	-40.4	0	0	0	112.1	T643 L647 K648 S649	T643-D645 PolarHBondContact O-N 3.46Å; T643-D645 VanDerWaalsContact O-N 3.12Å; D645-L647 VanDerWaalsContact C-N 3.32Å; D645-K648 PolarHBondContact O-N 3.03Å; D645-K648 WeakPolarHBondContact OD1-CD 3.42Å; D645-K648 IonicContact OD1-NZ 2.73Å; D645-K648 PolarHBondContact OD1-NZ 3.31Å; D645-S649 PolarHBondContact O-N 2.96Å
646	Q	93.3	Very high	91.8	Very high	63 Å²	63	59.5 Å²	59.5	29%	0.294	30%	0.302	S	S	.	.	H	α-helix	trans	-62	-40.3	163.2	-71.2	171.8	-33.4	0	0	111.2	L76 L642 T643 K648 S649 L650	L76-Q646 HydrophobicContact CD1-CB 4.08Å; L76-Q646 HydrophobicContact CD1-CG 4.45Å; L76-Q646 HydrophobicContact CD2-CG 4.25Å; L642-Q646 HydrophobicContact CB-CB 4Å; L642-Q646 HydrophobicContact CD2-CB 4.11Å; L642-Q646 HydrophobicContact CG-CB 4.45Å; T643-Q646 PolarHBondContact O-N 3.11Å; T643-Q646 WeakPolarHBondContact OG1-CG 2.95Å; T643-Q646 PolarHBondContact OG1-N 2.82Å; T643-Q646 PolarHBondContact OG1-OE1 3.37Å; Q646-K648 VanDerWaalsContact C-N 3.35Å; Q646-S649 PolarHBondContact O-N 3.11Å; Q646-S649 PolarHBondContact O-OG 3.26Å; Q646-L650 WeakPolarHBondContact O-CG 3.43Å; Q646-L650 PolarHBondContact O-N 3.33Å
647	L	94.9	Very high	92.7	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-67.1	-33.6	174.7	-69.3	168.1	0	0	0	112.6	V35 L43 C45 L642 T643 D645 L650	V35-L647 HydrophobicContact CG1-CD1 4.43Å; V35-L647 HydrophobicContact CG1-CD2 4.49Å; V35-L647 HydrophobicContact CG2-CD2 4.14Å; L43-L647 HydrophobicContact CB-CB 3.82Å; L43-L647 HydrophobicContact CB-CD1 3.93Å; L43-L647 HydrophobicContact CD1-CB 3.77Å; L43-L647 HydrophobicContact CG-CB 4.44Å; L43-L647 WeakPolarHBondContact O-CD1 3.49Å; C45-L647 HydrophobicContact CB-CD1 3.75Å; C45-L647 HydrophobicContact CB-CD2 3.86Å; C45-L647 HydrophobicContact CB-CG 4.45Å; L642-L647 HydrophobicContact CB-CD2 3.97Å; L642-L647 HydrophobicContact CB-CG 3.87Å; L642-L647 HydrophobicContact CD1-CD2 4.04Å; T643-L647 WeakPolarHBondContact O-CG 3.45Å; T643-L647 PolarHBondContact O-N 3.1Å; D645-L647 VanDerWaalsContact C-N 3.32Å; L647-L650 HydrophobicContact CD2-CD1 4.04Å; L647-L650 WeakPolarHBondContact O-CB 3.27Å
648	K	93.8	Very high	93.3	Very high	85 Å²	85	60.1 Å²	60.1	37%	0.37	31%	0.311	S	S	.	.	H	α-helix	trans	-68.9	-36.6	173.6	-72	161.9	-162.9	155.5	0	111.6	N42 L43 S644 D645 Q646 L650 K651	N42-K648 PolarHBondContact OD1-NZ 3.36Å; L43-K648 HydrophobicContact CD1-CG 3.98Å; L43-K648 HydrophobicContact CG-CG 4.41Å; S644-K648 WeakPolarHBondContact O-CD 3.29Å; S644-K648 WeakPolarHBondContact O-CG 3.38Å; S644-K648 PolarHBondContact O-N 2.78Å; S644-K648 WeakPolarHBondContact OG-CE 3.35Å; S644-K648 PolarHBondContact OG-NZ 3.13Å; D645-K648 PolarHBondContact O-N 3.03Å; D645-K648 WeakPolarHBondContact OD1-CD 3.42Å; D645-K648 IonicContact OD1-NZ 2.73Å; D645-K648 PolarHBondContact OD1-NZ 3.31Å; Q646-K648 VanDerWaalsContact C-N 3.35Å; K648-L650 VanDerWaalsContact C-N 3.25Å; K648-L650 PolarHBondContact O-N 3.14Å; K648-K651 PolarHBondContact O-N 3.22Å; K648-K651 VanDerWaalsContact O-N 3.16Å
649	S	93.5	Very high	93.9	Very high	64 Å²	64	57.1 Å²	57.1	45%	0.448	30%	0.298	S	S	.	.	H	α-helix	trans	-68.7	-21.1	178.4	73.7	0	0	0	0	113.8	D645 Q646 K651	D645-S649 PolarHBondContact O-N 2.96Å; Q646-S649 PolarHBondContact O-N 3.11Å; Q646-S649 PolarHBondContact O-OG 3.26Å; S649-K651 PolarHBondContact O-N 3.33Å
650	L	92.9	Very high	94.2	Very high	13 Å²	13	56.7 Å²	56.7	7%	0.068	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65	-14.9	170.9	-54.3	-171.3	0	0	0	114.2	I69 V74 L76 L642 Q646 L647 K648 L652	I69-L650 HydrophobicContact CD1-CB 3.94Å; I69-L650 HydrophobicContact CD1-CD1 3.85Å; I69-L650 HydrophobicContact CD1-CD2 3.75Å; I69-L650 HydrophobicContact CD1-CG 4.03Å; V74-L650 HydrophobicContact CG1-CD2 3.79Å; L76-L650 HydrophobicContact CD1-CD2 3.71Å; L642-L650 HydrophobicContact CD1-CD1 4.13Å; Q646-L650 WeakPolarHBondContact O-CG 3.43Å; Q646-L650 PolarHBondContact O-N 3.33Å; L647-L650 HydrophobicContact CD2-CD1 4.04Å; L647-L650 WeakPolarHBondContact O-CB 3.27Å; K648-L650 VanDerWaalsContact C-N 3.25Å; K648-L650 PolarHBondContact O-N 3.14Å; L650-L652 HydrophobicContact CB-CD2 4.11Å; L650-L652 HydrophobicContact CB-CG 3.88Å; L650-L652 HydrophobicContact CD1-CD1 4.27Å; L650-L652 HydrophobicContact CD1-CD2 4.4Å; L650-L652 HydrophobicContact CD1-CG 4.39Å; L650-L652 PolarHBondContact O-N 2.97Å; L650-L652 VanDerWaalsContact O-N 3.16Å
651	K	93.1	Very high	94.3	Very high	164 Å²	164	54 Å²	54	71%	0.713	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.7	37.4	-179.2	-57.5	171.4	-168.5	163	0	114.4	K648 S649 K653	K648-K651 PolarHBondContact O-N 3.22Å; K648-K651 VanDerWaalsContact O-N 3.16Å; S649-K651 PolarHBondContact O-N 3.33Å; K651-K653 PolarHBondContact O-N 3.33Å
652	L	94.9	Very high	94.2	Very high	21 Å²	21	50.8 Å²	50.8	11%	0.11	27%	0.27	C	S	.	.	P	Polyproline II helix	trans	-56	134.6	-177.2	-62.6	173.6	0	0	0	112.4	V35 I69 L650 N657 I677 L679	V35-L652 HydrophobicContact CB-CD1 4.17Å; V35-L652 HydrophobicContact CG1-CD1 4.22Å; V35-L652 HydrophobicContact CG2-CD1 3.83Å; I69-L652 HydrophobicContact CD1-CD2 4.45Å; I69-L652 HydrophobicContact CG2-CD2 4.15Å; L650-L652 HydrophobicContact CB-CD2 4.11Å; L650-L652 HydrophobicContact CB-CG 3.88Å; L650-L652 HydrophobicContact CD1-CD1 4.27Å; L650-L652 HydrophobicContact CD1-CD2 4.4Å; L650-L652 HydrophobicContact CD1-CG 4.39Å; L650-L652 PolarHBondContact O-N 2.97Å; L650-L652 VanDerWaalsContact O-N 3.16Å; L652-N657 HydrophobicContact CD2-CB 4.03Å; L652-I677 HydrophobicContact CD1-CG2 3.79Å; L652-I677 HydrophobicContact CD2-CB 4.23Å; L652-I677 HydrophobicContact CD2-CD1 4.28Å; L652-I677 HydrophobicContact CD2-CG2 3.99Å; L652-L679 HydrophobicContact CB-CB 4.35Å; L652-L679 HydrophobicContact CB-CD2 3.98Å; L652-L679 WeakPolarHBondContact O-CD2 3.42Å
653	K	95.3	Very high	93.8	Very high	124 Å²	124	50.4 Å²	50.4	54%	0.539	27%	0.268	S	S	.	.	P	Polyproline II helix	trans	-80.2	149.4	171.2	-60.4	162	-172.2	162.3	0	109	K651 G655 N657 L679	K651-K653 PolarHBondContact O-N 3.33Å; K653-G655 PolarHBondContact O-N 3.37Å; K653-N657 WeakPolarHBondContact CB-OD1 3.48Å; K653-N657 PolarHBondContact N-OD1 3.06Å; K653-N657 PolarHBondContact O-ND2 3.49Å; K653-L679 WeakPolarHBondContact O-CB 3.45Å
654	N	94	Very high	93.1	Very high	112 Å²	112	50.5 Å²	50.5	60%	0.599	27%	0.268	S	S	*	.	S	Bend	trans	-63.6	133.7	175.4	-66.6	-19.8	0	0	0	110.2	R37 L679	R37-N654 PolarHBondContact NH2-OD1 3.42Å; N654-L679 WeakPolarHBondContact OD1-CD2 3.34Å
655	G	94.2	Very high	92.1	Very high	18 Å²	18	50.7 Å²	50.7	19%	0.186	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	91.1	-152.8	-170.9	0	0	0	0	0	112.8	K653 N657 Y678 L679	K653-G655 PolarHBondContact O-N 3.37Å; G655-N657 PolarHBondContact O-ND2 2.66Å; G655-Y678 WeakPolarHBondContact O-CA 3.49Å; G655-L679 PolarHBondContact N-O 2.84Å; G655-L679 PolarHBondContact O-N 3.28Å
656	P	96.3	Very high	90.7	Very high	59 Å²	59	51.1 Å²	51.1	38%	0.383	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	146.3	-178.6	30.4	-34.9	0	0	0	112.5	T676 I677 Y678	P656-T676 HydrophobicContact CB-CG2 3.56Å; P656-I677 CarbonylContact C-O 3.58Å; P656-Y678 HydrophobicContact CB-CD1 4.13Å; P656-Y678 HydrophobicContact CB-CE1 3.86Å
657	N	97.3	Very high	89.2	Confident	1 Å²	1	55.6 Å²	55.6	1%	0.005	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	130.3	168.6	-60.8	-101.6	0	0	0	107.2	I69 N70 L652 K653 G655 T676 I677	I69-N657 HydrophobicContact CG2-CB 4.34Å; N70-N657 PolarHBondContact ND2-OD1 2.93Å; N70-N657 WeakPolarHBondContact OD1-CA 3.3Å; L652-N657 HydrophobicContact CD2-CB 4.03Å; K653-N657 WeakPolarHBondContact CB-OD1 3.48Å; K653-N657 PolarHBondContact N-OD1 3.06Å; K653-N657 PolarHBondContact O-ND2 3.49Å; G655-N657 PolarHBondContact O-ND2 2.66Å; N657-T676 CarbonylContact O-C 3.54Å; N657-T676 WeakPolarHBondContact O-CA 3.32Å; N657-T676 WeakPolarHBondContact O-CG2 3.38Å; N657-I677 HydrophobicContact CB-CB 4.42Å; N657-I677 PolarHBondContact N-O 2.84Å; N657-I677 PolarHBondContact ND2-O 2.97Å; N657-I677 PolarHBondContact O-N 3.49Å
658	D	96.3	Very high	87.7	Confident	104 Å²	104	60.8 Å²	60.8	56%	0.556	31%	0.307	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.5	140.8	179.1	-57.3	-45.8	0	0	0	110.1	I69 N70	I69-D658 CarbonylContact C-O 3.49Å; I69-D658 WeakPolarHBondContact CA-O 3.28Å; N70-D658 PolarHBondContact N-O 3.35Å; N70-D658 PolarHBondContact OD1-N 2.9Å
659	V	96	Very high	86.7	Confident	1 Å²	1	58.5 Å²	58.5	1%	0.006	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	132.9	175.8	60.8	0	0	0	0	111	I33 I67 E68 I69 F661 E674 G675 I677	I33-V659 HydrophobicContact CD1-CG1 4.48Å; I67-V659 HydrophobicContact CG2-CG2 3.81Å; E68-V659 WeakPolarHBondContact O-CA 3.41Å; I69-V659 HydrophobicContact CG1-CB 4.39Å; I69-V659 HydrophobicContact CG1-CG2 4.04Å; V659-F661 HydrophobicContact CB-CE2 4.38Å; V659-F661 HydrophobicContact CB-CZ 4.49Å; V659-F661 HydrophobicContact CG1-CE2 3.76Å; V659-F661 HydrophobicContact CG1-CZ 4.11Å; V659-F661 HydrophobicContact CG2-CD2 4.32Å; V659-F661 HydrophobicContact CG2-CE1 4.02Å; V659-F661 HydrophobicContact CG2-CE2 3.7Å; V659-F661 HydrophobicContact CG2-CZ 3.52Å; V659-E674 CarbonylContact O-C 3.57Å; V659-E674 WeakPolarHBondContact O-CA 3.39Å; V659-G675 WeakPolarHBondContact CG1-O 3.49Å; V659-G675 PolarHBondContact N-O 2.93Å; V659-G675 PolarHBondContact O-N 2.88Å; V659-I677 HydrophobicContact CB-CD1 3.94Å; V659-I677 HydrophobicContact CB-CG1 3.92Å; V659-I677 HydrophobicContact CG1-CD1 4.1Å; V659-I677 HydrophobicContact CG1-CG1 3.63Å; V659-I677 HydrophobicContact CG2-CD1 4.15Å
660	T	94.1	Very high	86	Confident	23 Å²	23	58.9 Å²	58.9	14%	0.141	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	120.2	175.8	-52	0	0	0	0	109.2	E68 R672 C673 E674	E68-T660 PolarHBondContact N-O 2.95Å; E68-T660 PolarHBondContact O-N 3.27Å; T660-R672 HydrophobicContact CG2-CB 4.21Å; T660-R672 HydrophobicContact CG2-CG 4.21Å; T660-C673 WeakPolarHBondContact CA-O 3.47Å; T660-E674 HydrophobicContact CG2-CG 4.16Å
661	F	92.3	Very high	85.4	Confident	0 Å²	0	60.1 Å²	60.1	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	127.4	170.7	-56.7	-82.4	0	0	0	108.7	C30 I33 F48 V50 F52 V65 D66 I67 M78 V659 R672 C673	C30-F661 HydrophobicContact CB-CD2 4.27Å; C30-F661 HydrophobicContact CB-CE2 4.23Å; I33-F661 HydrophobicContact CD1-CZ 4.37Å; F48-F661 HydrophobicContact CD1-CE1 4.2Å; F48-F661 AromaticContact CD1-CZ 3.92Å; F48-F661 HydrophobicContact CD1-CZ 3.92Å; F48-F661 HydrophobicContact CE1-CZ 4.31Å; V50-F661 HydrophobicContact CB-CG 4.49Å; V50-F661 HydrophobicContact CG1-CB 3.86Å; V50-F661 HydrophobicContact CG1-CD1 4.21Å; V50-F661 HydrophobicContact CG1-CD2 3.98Å; V50-F661 HydrophobicContact CG1-CG 3.74Å; V50-F661 HydrophobicContact CG2-CD1 3.93Å; V50-F661 HydrophobicContact CG2-CD2 3.72Å; V50-F661 HydrophobicContact CG2-CE1 3.77Å; V50-F661 HydrophobicContact CG2-CE2 3.55Å; V50-F661 HydrophobicContact CG2-CG 3.91Å; V50-F661 HydrophobicContact CG2-CZ 3.58Å; F52-F661 HydrophobicContact CZ-CB 3.95Å; V65-F661 HydrophobicContact CG1-CB 4.01Å; D66-F661 WeakPolarHBondContact O-CA 3.4Å; I67-F661 HydrophobicContact CD1-CD1 4.44Å; I67-F661 HydrophobicContact CD1-CE1 4.16Å; I67-F661 HydrophobicContact CG1-CD1 4.04Å; I67-F661 HydrophobicContact CG1-CE1 4.19Å; I67-F661 HydrophobicContact CG2-CD1 4.37Å; I67-F661 HydrophobicContact CG2-CE1 4.12Å; M78-F661 HydrophobicContact SD-CD1 3.73Å; M78-F661 HydrophobicContact SD-CE1 3.81Å; V659-F661 HydrophobicContact CB-CE2 4.38Å; V659-F661 HydrophobicContact CB-CZ 4.49Å; V659-F661 HydrophobicContact CG1-CE2 3.76Å; V659-F661 HydrophobicContact CG1-CZ 4.11Å; V659-F661 HydrophobicContact CG2-CD2 4.32Å; V659-F661 HydrophobicContact CG2-CE1 4.02Å; V659-F661 HydrophobicContact CG2-CE2 3.7Å; V659-F661 HydrophobicContact CG2-CZ 3.52Å; F661-R672 CarbonylContact O-C 3.57Å; F661-R672 WeakPolarHBondContact O-CA 3.31Å; F661-C673 PolarHBondContact N-O 3.2Å; F661-C673 PolarHBondContact O-N 2.94Å
662	S	89.3	Confident	85.1	Confident	7 Å²	7	58.4 Å²	58.4	5%	0.049	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	144.6	-178.9	91.6	0	0	0	0	113.4	V65 D66 C671	V65-S662 CarbonylContact C-O 3.57Å; V65-S662 WeakPolarHBondContact CA-O 3.36Å; V65-S662 WeakPolarHBondContact CG1-O 3.37Å; D66-S662 PolarHBondContact N-O 2.76Å; D66-S662 PolarHBondContact O-N 3.43Å; S662-C671 WeakPolarHBondContact CA-O 3.39Å
663	V	85.9	Confident	84.7	Confident	5 Å²	5	57.6 Å²	57.6	3%	0.03	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	113.1	175.2	178.3	0	0	0	0	108.4	F52 V65 L80 T665 T670 C671	F52-V663 HydrophobicContact CD1-CG2 4.16Å; F52-V663 HydrophobicContact CD2-CG2 3.91Å; F52-V663 HydrophobicContact CE1-CB 4.36Å; F52-V663 HydrophobicContact CE1-CG2 3.89Å; F52-V663 HydrophobicContact CE2-CG2 3.62Å; F52-V663 HydrophobicContact CG-CG2 4.18Å; F52-V663 HydrophobicContact CZ-CG2 3.61Å; V65-V663 HydrophobicContact CB-CG2 4.15Å; V65-V663 HydrophobicContact CG1-CG2 3.94Å; V65-V663 HydrophobicContact CG2-CG2 3.78Å; L80-V663 HydrophobicContact CD2-CG1 4.09Å; L80-V663 HydrophobicContact CD2-CG2 4.44Å; V663-T665 HydrophobicContact CG1-CG2 3.89Å; V663-T670 WeakPolarHBondContact O-CA 3.3Å; V663-C671 PolarHBondContact N-O 2.98Å; V663-C671 PolarHBondContact O-N 3.11Å
664	T	80.1	Confident	84.5	Confident	69 Å²	69	56.9 Å²	56.9	42%	0.423	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	128	172.7	-60.4	0	0	0	0	110.4	T670	T664-T670 WeakPolarHBondContact OG1-CG2 3.29Å; T664-T670 PolarHBondContact OG1-OG1 3.46Å
665	T	72.5	Confident	84.5	Confident	27 Å²	27	51.8 Å²	51.8	17%	0.166	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	138.1	177.8	71.2	0	0	0	0	111.5	L58 V663 Y667 Q668 G669	L58-T665 HydrophobicContact CD2-CG2 3.86Å; V663-T665 HydrophobicContact CG1-CG2 3.89Å; T665-Y667 PolarHBondContact O-N 3.47Å; T665-Q668 PolarHBondContact O-N 2.99Å; T665-Q668 PolarHBondContact OG1-N 3.49Å; T665-G669 PolarHBondContact N-O 2.86Å; T665-G669 WeakPolarHBondContact O-CA 3.45Å; T665-G669 PolarHBondContact O-N 2.89Å; T665-G669 PolarHBondContact OG1-O 3.3Å
666	Q	64.8	Low	84.6	Confident	114 Å²	114	51.7 Å²	51.7	53%	0.533	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-19.8	-175.1	-63.7	168.1	0.6	0	0	114.4	S60 E62	S60-Q666 PolarHBondContact OG-OE1 3.32Å; E62-Q666 PolarHBondContact OE1-NE2 3.29Å; E62-Q666 WeakPolarHBondContact OE2-CG 3.39Å; E62-Q666 PolarHBondContact OE2-NE2 3.17Å
667	Y	62.4	Low	84.7	Confident	156 Å²	156	48.9 Å²	48.9	61%	0.612	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.9	-10.9	-176.3	-65.4	-66.1	0	0	0	114.9	V57 T665	V57-Y667 HydrophobicContact CB-CD2 4.4Å; V57-Y667 HydrophobicContact CG1-CD2 3.76Å; V57-Y667 HydrophobicContact CG1-CE2 4.07Å; V57-Y667 HydrophobicContact CG1-CG 4.18Å; T665-Y667 PolarHBondContact O-N 3.47Å
668	Q	61.7	Low	84.7	Confident	110 Å²	110	49.7 Å²	49.7	51%	0.514	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-139.8	-2.5	-176.2	-59.6	-171	-15.9	0	0	114.6	M55 T665	M55-Q668 VanDerWaalsContact CG-CD 3.47Å; M55-Q668 VanDerWaalsContact CG-NE2 3.27Å; M55-Q668 PolarHBondContact SD-NE2 3.46Å; M55-Q668 PolarHBondContact SD-OE1 3.29Å; T665-Q668 PolarHBondContact O-N 2.99Å; T665-Q668 PolarHBondContact OG1-N 3.49Å
669	G	72.8	Confident	84.7	Confident	36 Å²	36	45 Å²	45	37%	0.371	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	74.8	-153.7	-170.4	0	0	0	0	0	111.7	T665	T665-G669 PolarHBondContact N-O 2.86Å; T665-G669 WeakPolarHBondContact O-CA 3.45Å; T665-G669 PolarHBondContact O-N 2.89Å; T665-G669 PolarHBondContact OG1-O 3.3Å
670	T	79.8	Confident	84.7	Confident	72 Å²	72	45.6 Å²	45.6	44%	0.442	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	115.7	-173.8	-48.5	0	0	0	0	111.6	V663 T664 R672	V663-T670 WeakPolarHBondContact O-CA 3.3Å; T664-T670 WeakPolarHBondContact OG1-CG2 3.29Å; T664-T670 PolarHBondContact OG1-OG1 3.46Å; T670-R672 HydrophobicContact CG2-CG 4.21Å
671	C	81.1	Confident	84.8	Confident	40 Å²	40	47 Å²	47	27%	0.27	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	135.3	164.7	-169.4	0	0	0	0	108.6	F52 S662 V663	F52-C671 HydrophobicContact CD1-CB 4.25Å; S662-C671 WeakPolarHBondContact CA-O 3.39Å; V663-C671 PolarHBondContact N-O 2.98Å; V663-C671 PolarHBondContact O-N 3.11Å
672	R	85.5	Confident	84.9	Confident	127 Å²	127	51.1 Å²	51.1	48%	0.479	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	151.7	176.6	-73.9	-178.3	167	-143.3	-16.3	110.2	E68 T660 F661 T670	E68-R672 IonicContact OE1-CZ 3.67Å; E68-R672 IonicContact OE1-NH2 3.44Å; E68-R672 PolarHBondContact OE1-NH2 2.85Å; E68-R672 IonicContact OE2-CZ 3.7Å; E68-R672 IonicContact OE2-NH1 3.46Å; E68-R672 PolarHBondContact OE2-NH1 3.42Å; E68-R672 IonicContact OE2-NH2 2.77Å; E68-R672 PolarHBondContact OE2-NH2 3.39Å; T660-R672 HydrophobicContact CG2-CB 4.21Å; T660-R672 HydrophobicContact CG2-CG 4.21Å; F661-R672 CarbonylContact O-C 3.57Å; F661-R672 WeakPolarHBondContact O-CA 3.31Å; T670-R672 HydrophobicContact CG2-CG 4.21Å
673	C	87.4	Confident	85.1	Confident	4 Å²	4	54.7 Å²	54.7	3%	0.027	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	126.8	177	175.1	0	0	0	0	108.3	G29 C30 F52 T660 F661	G29-C673 WeakPolarHBondContact CA-SG 3.41Å; C30-C673 PolarHBondContact N-SG 2.77Å; F52-C673 HydrophobicContact CE1-CB 4.01Å; F52-C673 HydrophobicContact CZ-CB 4.27Å; T660-C673 WeakPolarHBondContact CA-O 3.47Å; F661-C673 PolarHBondContact N-O 3.2Å; F661-C673 PolarHBondContact O-N 2.94Å
674	E	91.1	Very high	85.6	Confident	109 Å²	109	55.7 Å²	55.7	51%	0.509	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	156.9	-172.5	-68	167.5	-164.8	0	0	110.7	C30 V659 T660 R746	C30-E674 PolarHBondContact SG-O 3.13Å; V659-E674 CarbonylContact O-C 3.57Å; V659-E674 WeakPolarHBondContact O-CA 3.39Å; T660-E674 HydrophobicContact CG2-CG 4.16Å; E674-R746 PolarHBondContact O-NH2 2.8Å
675	G	93.3	Very high	86.3	Confident	5 Å²	5	54.7 Å²	54.7	5%	0.052	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-175.1	-172.7	176.3	0	0	0	0	0	111.4	V659	V659-G675 WeakPolarHBondContact CG1-O 3.49Å; V659-G675 PolarHBondContact N-O 2.93Å; V659-G675 PolarHBondContact O-N 2.88Å
676	T	96.6	Very high	87.5	Confident	16 Å²	16	53.4 Å²	53.4	10%	0.098	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	136.1	-176.5	-50.8	0	0	0	0	112.3	D32 I33 P656 N657 Y678	D32-T676 WeakPolarHBondContact CA-O 3.45Å; D32-T676 WeakPolarHBondContact CB-O 3.4Å; D32-T676 PolarHBondContact OD1-N 3.06Å; I33-T676 PolarHBondContact N-O 2.67Å; P656-T676 HydrophobicContact CB-CG2 3.56Å; N657-T676 CarbonylContact O-C 3.54Å; N657-T676 WeakPolarHBondContact O-CA 3.32Å; N657-T676 WeakPolarHBondContact O-CG2 3.38Å; T676-Y678 HydrophobicContact CG2-CD2 3.87Å; T676-Y678 HydrophobicContact CG2-CE1 4.27Å; T676-Y678 HydrophobicContact CG2-CE2 3.43Å; T676-Y678 VanDerWaalsContact CG2-CE2 3.43Å; T676-Y678 HydrophobicContact CG2-CG 4.47Å
677	I	97.6	Very high	89.1	Confident	0 Å²	0	48 Å²	48	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	114.1	171.3	-49.8	-177.4	0	0	0	109	I33 V35 F48 I69 L652 P656 N657 V659	I33-I677 HydrophobicContact CB-CG1 4.26Å; I33-I677 HydrophobicContact CB-CG2 4.27Å; I33-I677 HydrophobicContact CD1-CG1 4.23Å; I33-I677 HydrophobicContact CG2-CG2 4.31Å; I33-I677 CarbonylContact O-C 3.38Å; I33-I677 WeakPolarHBondContact O-CA 3.15Å; V35-I677 HydrophobicContact CG2-CG2 3.6Å; F48-I677 HydrophobicContact CE1-CD1 4.19Å; F48-I677 HydrophobicContact CZ-CD1 4.4Å; I69-I677 HydrophobicContact CD1-CD1 3.92Å; I69-I677 HydrophobicContact CG1-CD1 4.44Å; L652-I677 HydrophobicContact CD1-CG2 3.79Å; L652-I677 HydrophobicContact CD2-CB 4.23Å; L652-I677 HydrophobicContact CD2-CD1 4.28Å; L652-I677 HydrophobicContact CD2-CG2 3.99Å; P656-I677 CarbonylContact C-O 3.58Å; N657-I677 HydrophobicContact CB-CB 4.42Å; N657-I677 PolarHBondContact N-O 2.84Å; N657-I677 PolarHBondContact ND2-O 2.97Å; N657-I677 PolarHBondContact O-N 3.49Å; V659-I677 HydrophobicContact CB-CD1 3.94Å; V659-I677 HydrophobicContact CB-CG1 3.92Å; V659-I677 HydrophobicContact CG1-CD1 4.1Å; V659-I677 HydrophobicContact CG1-CG1 3.63Å; V659-I677 HydrophobicContact CG2-CD1 4.15Å
678	Y	97.7	Very high	90.7	Very high	18 Å²	18	40.6 Å²	40.6	7%	0.071	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	114.1	179.7	-69.4	-95.7	0	0	0	110.7	D32 I33 V35 G655 P656 T676 G762 P763	D32-Y678 HydrophobicContact CB-CE2 4.28Å; I33-Y678 PolarHBondContact O-N 3.5Å; V35-Y678 PolarHBondContact N-O 2.92Å; G655-Y678 WeakPolarHBondContact O-CA 3.49Å; P656-Y678 HydrophobicContact CB-CD1 4.13Å; P656-Y678 HydrophobicContact CB-CE1 3.86Å; T676-Y678 HydrophobicContact CG2-CD2 3.87Å; T676-Y678 HydrophobicContact CG2-CE1 4.27Å; T676-Y678 HydrophobicContact CG2-CE2 3.43Å; T676-Y678 VanDerWaalsContact CG2-CE2 3.43Å; T676-Y678 HydrophobicContact CG2-CG 4.47Å; Y678-G762 VanDerWaalsContact OH-C 3.29Å; Y678-G762 PolarHBondContact OH-N 3.07Å; Y678-G762 PolarHBondContact OH-O 3.12Å; Y678-P763 HydrophobicContact CD2-CB 3.58Å; Y678-P763 HydrophobicContact CD2-CG 3.94Å; Y678-P763 VanDerWaalsContact CE2-CA 3.43Å; Y678-P763 HydrophobicContact CE2-CB 3.75Å; Y678-P763 HydrophobicContact CE2-CG 4.31Å; Y678-P763 HydrophobicContact CG-CB 4.33Å; Y678-P763 HydrophobicContact CG-CG 4.2Å
679	L	97.2	Very high	92.4	Very high	7 Å²	7	35.3 Å²	35.3	4%	0.037	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	111.7	170.5	-178.9	62.6	0	0	0	110.2	V35 L43 L652 K653 N654 G655	V35-L679 HydrophobicContact CB-CD1 4.07Å; V35-L679 HydrophobicContact CG1-CD1 3.77Å; V35-L679 WeakPolarHBondContact O-CA 3.12Å; L43-L679 HydrophobicContact CD2-CD1 4.05Å; L652-L679 HydrophobicContact CB-CB 4.35Å; L652-L679 HydrophobicContact CB-CD2 3.98Å; L652-L679 WeakPolarHBondContact O-CD2 3.42Å; K653-L679 WeakPolarHBondContact O-CB 3.45Å; N654-L679 WeakPolarHBondContact OD1-CD2 3.34Å; G655-L679 PolarHBondContact N-O 2.84Å; G655-L679 PolarHBondContact O-N 3.28Å
680	W	96.6	Very high	93.4	Very high	13 Å²	13	33.9 Å²	33.9	5%	0.049	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	169.5	177.4	-66.7	-16.4	0	0	0	110.9	I34 V35 V36 R37 D684 V686 K730 P763 F799	I34-W680 HydrophobicContact CD1-CZ3 4.09Å; I34-W680 HydrophobicContact CG2-CD2 4.28Å; I34-W680 HydrophobicContact CG2-CE3 3.63Å; I34-W680 HydrophobicContact CG2-CZ3 3.96Å; V35-W680 PolarHBondContact O-N 3.06Å; V36-W680 WeakPolarHBondContact CA-O 3.14Å; R37-W680 PolarHBondContact N-O 2.57Å; W680-D684 WeakPolarHBondContact CB-OD2 3.39Å; W680-V686 HydrophobicContact CE3-CG2 4.25Å; W680-V686 HydrophobicContact CZ3-CG1 4.38Å; W680-V686 HydrophobicContact CZ3-CG2 3.84Å; W680-K730 HydrophobicContact CD2-CB 4.48Å; W680-K730 HydrophobicContact CD2-CG 4.22Å; W680-K730 HydrophobicContact CH2-CB 3.98Å; W680-K730 HydrophobicContact CZ2-CB 3.7Å; W680-K730 HydrophobicContact CZ2-CG 4.24Å; W680-K730 HydrophobicContact CZ3-CB 4.48Å; W680-P763 HydrophobicContact CH2-CG 3.56Å; W680-P763 VanDerWaalsContact CZ2-CD 3.4Å; W680-P763 HydrophobicContact CZ2-CG 3.85Å; W680-P763 HydrophobicContact CZ3-CG 4.33Å; W680-F799 HydrophobicContact CE3-CE1 4.43Å; W680-F799 AromaticContact CE3-CZ 3.86Å; W680-F799 HydrophobicContact CE3-CZ 3.86Å; W680-F799 HydrophobicContact CZ3-CZ 4.25Å
681	N	95.3	Very high	93.9	Very high	53 Å²	53	30.5 Å²	30.5	28%	0.283	14%	0.144	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	156.6	172.8	-60.3	-37.1	0	0	0	111.1	D683 D684	N681-D683 WeakPolarHBondContact CB-OD1 3.28Å; N681-D683 PolarHBondContact O-N 3.17Å; N681-D684 PolarHBondContact N-OD2 2.96Å; N681-D684 WeakPolarHBondContact O-CB 3.14Å; N681-D684 PolarHBondContact O-N 2.8Å
682	W	95.1	Very high	94.2	Very high	85 Å²	85	29.3 Å²	29.3	32%	0.322	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-25.8	177.2	70.2	-83.3	0	0	0	114.1	V36 R37 P39 P801 N802	V36-W682 HydrophobicContact CG1-CB 4.2Å; R37-W682 WeakPolarHBondContact O-CB 3.24Å; R37-W682 PolarHBondContact O-N 2.86Å; P39-W682 HydrophobicContact CG-CD2 3.84Å; P39-W682 HydrophobicContact CG-CE3 4.48Å; P39-W682 HydrophobicContact CG-CG 3.94Å; P39-W682 HydrophobicContact CG-CZ2 4.36Å; W682-P801 HydrophobicContact CE3-CG 4.07Å; W682-P801 HydrophobicContact CZ3-CG 4.07Å; W682-N802 HydrophobicContact CE3-CB 3.77Å; W682-N802 HydrophobicContact CZ3-CB 4.12Å; W682-N802 WeakPolarHBondContact O-CB 3.23Å; W682-N802 PolarHBondContact O-ND2 2.86Å
683	D	93.8	Very high	94.3	Very high	82 Å²	82	23.4 Å²	23.4	44%	0.439	11%	0.113	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.2	-8.5	-179.4	69.7	-44.9	0	0	0	114.2	N681 K685	N681-D683 WeakPolarHBondContact CB-OD1 3.28Å; N681-D683 PolarHBondContact O-N 3.17Å; D683-K685 PolarHBondContact O-NZ 3Å
684	D	94.6	Very high	94.5	Very high	26 Å²	26	23.2 Å²	23.2	14%	0.139	11%	0.112	C	C	.	.			trans	-56.2	152.3	172.8	-83.1	-49.2	0	0	0	111.1	W680 N681 K730	W680-D684 WeakPolarHBondContact CB-OD2 3.39Å; N681-D684 PolarHBondContact N-OD2 2.96Å; N681-D684 WeakPolarHBondContact O-CB 3.14Å; N681-D684 PolarHBondContact O-N 2.8Å; D684-K730 HydrophobicContact CB-CG 4.12Å; D684-K730 WeakPolarHBondContact OD1-CE 3.39Å; D684-K730 IonicContact OD1-NZ 2.9Å; D684-K730 PolarHBondContact OD1-NZ 3.26Å; D684-K730 WeakPolarHBondContact OD2-CE 3.35Å
685	K	95.4	Very high	94.5	Very high	49 Å²	49	18 Å²	18	21%	0.213	9%	0.088	C	C	.	.			trans	-117.2	123.2	178.9	-63.7	-69.7	164.2	-72.9	0	110	D683 Y729 K730 N802 L865	D683-K685 PolarHBondContact O-NZ 3Å; K685-Y729 HydrophobicContact CB-CD1 3.8Å; K685-Y729 HydrophobicContact CB-CE1 3.96Å; K685-Y729 WeakPolarHBondContact O-CA 3.45Å; K685-K730 PolarHBondContact O-N 2.75Å; K685-N802 PolarHBondContact NZ-ND2 3.26Å; K685-N802 VanDerWaalsContact NZ-ND2 3.16Å; K685-L865 HydrophobicContact CB-CD1 3.87Å; K685-L865 HydrophobicContact CG-CD1 4.19Å; K685-L865 HydrophobicContact CG-CD2 4.47Å
686	V	97.1	Very high	94.2	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	137.4	-167.9	-178.9	0	0	0	0	110.3	W680 K730 L732 F799 P805 F806 Y807	W680-V686 HydrophobicContact CE3-CG2 4.25Å; W680-V686 HydrophobicContact CZ3-CG1 4.38Å; W680-V686 HydrophobicContact CZ3-CG2 3.84Å; V686-K730 CarbonylContact C-O 3.56Å; V686-K730 WeakPolarHBondContact CA-O 3.45Å; V686-K730 HydrophobicContact CG2-CB 4.41Å; V686-L732 HydrophobicContact CG1-CB 3.51Å; V686-L732 HydrophobicContact CG1-CD2 4.25Å; V686-F799 HydrophobicContact CG2-CE1 4.08Å; V686-F799 HydrophobicContact CG2-CZ 3.71Å; V686-P805 PolarHBondContact N-O 3.06Å; V686-F806 HydrophobicContact CB-CD1 3.98Å; V686-F806 HydrophobicContact CB-CE1 4.45Å; V686-F806 HydrophobicContact CG1-CD1 3.98Å; V686-F806 HydrophobicContact CG1-CE1 4.16Å; V686-F806 CarbonylContact O-C 3.57Å; V686-F806 WeakPolarHBondContact O-CA 3.35Å; V686-Y807 PolarHBondContact O-N 3.21Å
687	V	98.1	Very high	93.5	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	121.3	172.6	176.4	0	0	0	0	108.3	V724 Y729 K730 F731 L732 A808 F810 F862	V687-V724 HydrophobicContact CG2-CG1 4.04Å; V687-Y729 HydrophobicContact CG2-CD1 4.17Å; V687-Y729 HydrophobicContact CG2-CG 4.3Å; V687-K730 PolarHBondContact N-O 3.39Å; V687-F731 HydrophobicContact CB-CD1 4.3Å; V687-F731 HydrophobicContact CB-CE1 4.07Å; V687-F731 HydrophobicContact CB-CZ 4.26Å; V687-F731 HydrophobicContact CG1-CD1 4.22Å; V687-F731 HydrophobicContact CG1-CE1 3.66Å; V687-F731 HydrophobicContact CG1-CZ 4.06Å; V687-F731 WeakPolarHBondContact O-CA 3.4Å; V687-L732 PolarHBondContact O-N 2.88Å; V687-A808 WeakPolarHBondContact CA-O 3.43Å; V687-A808 HydrophobicContact CG1-CB 4.36Å; V687-A808 HydrophobicContact CG2-CB 4.39Å; V687-F810 HydrophobicContact CG1-CD2 3.92Å; V687-F810 HydrophobicContact CG1-CE2 3.75Å; V687-F862 HydrophobicContact CG1-CE1 4.45Å; V687-F862 HydrophobicContact CG2-CD1 4.29Å; V687-F862 HydrophobicContact CG2-CE1 3.78Å
688	I	97.7	Very high	92.1	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	140.6	179.3	-47.4	168.4	0	0	0	109.3	L732 L792 F806 A808 A809 F810 Y820 V825	I688-L732 CarbonylContact C-O 3.53Å; I688-L732 WeakPolarHBondContact CA-O 3.24Å; I688-L732 HydrophobicContact CG1-CD2 4.47Å; I688-L792 HydrophobicContact CD1-CD1 4.21Å; I688-L792 HydrophobicContact CD1-CD2 4.02Å; I688-L792 HydrophobicContact CG2-CD2 4.33Å; I688-F806 HydrophobicContact CD1-CB 4.15Å; I688-F806 HydrophobicContact CD1-CD1 3.77Å; I688-F806 HydrophobicContact CD1-CD2 4.08Å; I688-F806 HydrophobicContact CD1-CE1 4.13Å; I688-F806 HydrophobicContact CD1-CE2 4.38Å; I688-F806 HydrophobicContact CD1-CG 3.76Å; I688-F806 HydrophobicContact CD1-CZ 4.41Å; I688-F806 HydrophobicContact CG1-CD1 3.77Å; I688-F806 HydrophobicContact CG1-CE1 4.16Å; I688-F806 HydrophobicContact CG1-CG 4.22Å; I688-A808 PolarHBondContact N-O 3.15Å; I688-A809 HydrophobicContact CB-CB 4.02Å; I688-A809 HydrophobicContact CD1-CB 4.41Å; I688-A809 CarbonylContact O-C 3.01Å; I688-A809 VanDerWaalsContact O-CA 3.31Å; I688-A809 WeakPolarHBondContact O-CA 3.38Å; I688-F810 PolarHBondContact O-N 2.91Å; I688-Y820 HydrophobicContact CB-CE1 4.2Å; I688-Y820 HydrophobicContact CD1-CD1 3.89Å; I688-Y820 HydrophobicContact CD1-CE1 4.21Å; I688-Y820 HydrophobicContact CG2-CD1 4.37Å; I688-Y820 HydrophobicContact CG2-CE1 3.62Å; I688-V825 HydrophobicContact CD1-CG2 4.25Å
689	S	96.8	Very high	90.3	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	130.2	167.2	-172.4	0	0	0	0	109.8	Y721 L732 Y733 C734 F810	S689-Y721 WeakPolarHBondContact CB-OH 3.3Å; S689-Y721 WeakPolarHBondContact OG-CE2 3.21Å; S689-Y721 PolarHBondContact OG-OH 3.15Å; S689-L732 PolarHBondContact N-O 3.44Å; S689-Y733 CarbonylContact O-C 3.57Å; S689-Y733 WeakPolarHBondContact O-CA 3.42Å; S689-C734 PolarHBondContact O-N 3.05Å; S689-F810 WeakPolarHBondContact CA-O 3.44Å
690	D	93.8	Very high	88.2	Confident	6 Å²	6	28.8 Å²	28.8	3%	0.032	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.7	161.3	154.7	-150.8	-55.4	0	0	0	109.8	D692 T694 I695 C734 K788 F810	D690-D692 PolarHBondContact OD1-N 3.04Å; D690-T694 WeakPolarHBondContact O-CB 3.48Å; D690-T694 WeakPolarHBondContact O-CG2 3.34Å; D690-I695 WeakPolarHBondContact O-CG1 3.48Å; D690-C734 CarbonylContact C-O 3.5Å; D690-C734 VanDerWaalsContact CA-O 3.32Å; D690-C734 WeakPolarHBondContact CA-O 3.42Å; D690-K788 IonicContact OD2-NZ 2.7Å; D690-K788 PolarHBondContact OD2-NZ 3.17Å; D690-F810 PolarHBondContact N-O 3.17Å
691	I	90.7	Very high	86.1	Confident	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.159	C	C	.	.	S	Bend	trans	-101.6	-45.4	172.9	-56.4	173.7	0	0	0	110	G693 T694 I695 T696 C734 T745 L749 V764	I691-G693 PolarHBondContact O-N 2.94Å; I691-T694 PolarHBondContact O-N 3.33Å; I691-I695 HydrophobicContact CG1-CD1 4.21Å; I691-I695 PolarHBondContact O-N 3.2Å; I691-T696 PolarHBondContact O-N 2.94Å; I691-C734 PolarHBondContact N-O 3.04Å; I691-T745 HydrophobicContact CD1-CG2 3.52Å; I691-L749 HydrophobicContact CD1-CD1 3.95Å; I691-L749 HydrophobicContact CD1-CD2 4.47Å; I691-L749 HydrophobicContact CD1-CG 4.48Å; I691-L749 HydrophobicContact CG1-CD2 4.42Å; I691-L749 HydrophobicContact CG2-CD2 4.44Å; I691-V764 HydrophobicContact CD1-CG1 4Å
692	D	87.7	Confident	83.9	Confident	15 Å²	15	28.9 Å²	28.9	8%	0.08	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.9	97.7	-163.3	-75.1	-61.7	0	0	0	112.2	D690 S735 R737 N812	D690-D692 PolarHBondContact OD1-N 3.04Å; D692-S735 WeakPolarHBondContact OD2-CB 3.2Å; D692-S735 PolarHBondContact OD2-OG 3.32Å; D692-R737 IonicContact OD1-CZ 2.86Å; D692-R737 IonicContact OD1-NE 2.63Å; D692-R737 PolarHBondContact OD1-NE 3.27Å; D692-R737 IonicContact OD1-NH2 2.68Å; D692-R737 PolarHBondContact OD1-NH2 2.96Å; D692-R737 IonicContact OD2-CZ 2.8Å; D692-R737 IonicContact OD2-NE 3.16Å; D692-R737 PolarHBondContact OD2-NE 3.46Å; D692-R737 IonicContact OD2-NH2 2.66Å; D692-N812 PolarHBondContact O-ND2 3.33Å; D692-N812 PolarHBondContact O-OD1 3.38Å
693	G	87	Confident	81.9	Confident	3 Å²	3	29.8 Å²	29.8	3%	0.031	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	90.9	-4.3	-171.6	0	0	0	0	0	113.8	I691 T696 N812 V833	I691-G693 PolarHBondContact O-N 2.94Å; G693-T696 CarbonylContact C-O 3.58Å; G693-T696 WeakPolarHBondContact CA-O 3.31Å; G693-T696 PolarHBondContact N-O 2.98Å; G693-T696 PolarHBondContact N-OG1 2.8Å; G693-N812 VanDerWaalsContact C-CG 3.46Å; G693-N812 WeakPolarHBondContact CA-ND2 3.33Å; G693-N812 VanDerWaalsContact O-CB 3.29Å; G693-N812 WeakPolarHBondContact O-CB 3.28Å; G693-V833 WeakPolarHBondContact O-CG1 3.35Å
694	T	91.3	Very high	79.9	Confident	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.9	-48.1	175.3	-69.2	0	0	0	0	113	D690 I691 T696 H714 F810 G811 N812 V833 Y851	D690-T694 WeakPolarHBondContact O-CB 3.48Å; D690-T694 WeakPolarHBondContact O-CG2 3.34Å; I691-T694 PolarHBondContact O-N 3.33Å; T694-T696 PolarHBondContact N-O 3.32Å; T694-H714 PolarHBondContact O-CD2 2.82Å; T694-H714 VanDerWaalsContact O-CD2 3.31Å; T694-F810 HydrophobicContact CG2-CB 3.86Å; T694-G811 WeakPolarHBondContact OG1-CA 3.45Å; T694-G811 PolarHBondContact OG1-O 3.4Å; T694-N812 PolarHBondContact OG1-N 3.41Å; T694-N812 PolarHBondContact OG1-OD1 3.25Å; T694-V833 HydrophobicContact CG2-CG1 4.49Å; T694-Y851 PolarHBondContact O-OH 2.88Å
695	I	91.1	Very high	78	Confident	0 Å²	0	29.3 Å²	29.3	0%	0	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.7	-47.7	170.1	-62	174	0	0	0	108.9	D690 I691 T713 H714 I717 Y721 Y733 Y748 L749 L759	D690-I695 WeakPolarHBondContact O-CG1 3.48Å; I691-I695 HydrophobicContact CG1-CD1 4.21Å; I691-I695 PolarHBondContact O-N 3.2Å; I695-T713 HydrophobicContact CG2-CG2 4.47Å; I695-T713 VanDerWaalsContact O-CA 3.3Å; I695-T713 WeakPolarHBondContact O-CA 3.42Å; I695-H714 PolarHBondContact O-N 2.97Å; I695-I717 HydrophobicContact CB-CD1 4.2Å; I695-I717 HydrophobicContact CG1-CD1 3.8Å; I695-I717 HydrophobicContact CG2-CD1 4.45Å; I695-Y721 HydrophobicContact CD1-CE2 4.5Å; I695-Y721 HydrophobicContact CG1-CE2 4.5Å; I695-Y733 HydrophobicContact CD1-CD1 3.8Å; I695-Y733 HydrophobicContact CD1-CE1 3.75Å; I695-Y748 HydrophobicContact CG2-CE1 4.25Å; I695-L749 HydrophobicContact CD1-CD2 3.68Å; I695-L759 HydrophobicContact CD1-CD1 4.45Å; I695-L759 HydrophobicContact CG2-CD1 4.27Å
696	T	87.2	Confident	75.7	Confident	1 Å²	1	30.3 Å²	30.3	1%	0.006	16%	0.161	C	C	.	.	B	Isolated β-bridge	trans	-76.6	151.1	169.1	75	0	0	0	0	110.6	I691 G693 T694 S698 L705 W712 H714 Y748	I691-T696 PolarHBondContact O-N 2.94Å; G693-T696 CarbonylContact C-O 3.58Å; G693-T696 WeakPolarHBondContact CA-O 3.31Å; G693-T696 PolarHBondContact N-O 2.98Å; G693-T696 PolarHBondContact N-OG1 2.8Å; T694-T696 PolarHBondContact N-O 3.32Å; T696-S698 PolarHBondContact O-N 3.48Å; T696-S698 PolarHBondContact OG1-O 3.23Å; T696-L705 HydrophobicContact CG2-CD1 4.08Å; T696-L705 HydrophobicContact CG2-CD2 3.58Å; T696-W712 CarbonylContact C-O 3.6Å; T696-W712 WeakPolarHBondContact CA-O 3.46Å; T696-H714 PolarHBondContact O-NE2 2.97Å; T696-Y748 HydrophobicContact CG2-CE1 4.03Å
697	R	82.4	Confident	73.2	Confident	92 Å²	92	32.3 Å²	32.3	35%	0.347	17%	0.173	S	C	.	.	S	Bend	trans	-74.9	-4.4	178.4	-66.1	-179.6	-161.6	-150.5	2.2	115.2	W712 T713 H714	R697-W712 WeakPolarHBondContact CG-O 3.42Å; R697-W712 PolarHBondContact N-O 2.82Å; R697-T713 VanDerWaalsContact CZ-O 3.24Å; R697-T713 PolarHBondContact NE-O 2.99Å; R697-T713 PolarHBondContact NH2-O 3.44Å; R697-H714 WeakPolarHBondContact CA-NE2 3.49Å
698	S	68	Low	70.7	Confident	27 Å²	27	35.8 Å²	35.8	19%	0.189	19%	0.192	C	C	.	.			trans	-164.7	129.3	-175.5	59.3	0	0	0	0	112.6	T696 T700 L701 G702	T696-S698 PolarHBondContact O-N 3.48Å; T696-S698 PolarHBondContact OG1-O 3.23Å; S698-T700 VanDerWaalsContact C-N 3.34Å; S698-T700 PolarHBondContact O-N 3.28Å; S698-L701 WeakPolarHBondContact OG-CB 3.45Å; S698-G702 PolarHBondContact O-N 3.42Å; S698-G702 VanDerWaalsContact O-N 3.14Å
699	D	59.8	Low	68.2	Low	42 Å²	42	39.2 Å²	39.2	23%	0.225	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.6	-43.9	178.4	-49.7	37.7	0	0	0	112.6	G702 N812 R813	D699-G702 PolarHBondContact O-N 3.04Å; D699-N812 PolarHBondContact OD1-ND2 2.99Å; D699-N812 PolarHBondContact OD2-ND2 3.15Å; D699-R813 IonicContact OD2-CZ 2.89Å; D699-R813 IonicContact OD2-NE 2.7Å; D699-R813 PolarHBondContact OD2-NE 2.84Å; D699-R813 IonicContact OD2-NH2 3.58Å; D699-R813 PolarHBondContact OD2-NH2 3.45Å
700	T	53.5	Low	66	Low	110 Å²	110	46.8 Å²	46.8	68%	0.675	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.7	-41.9	-172	50.8	0	0	0	0	113.4	S698 G702	S698-T700 VanDerWaalsContact C-N 3.34Å; S698-T700 PolarHBondContact O-N 3.28Å; T700-G702 PolarHBondContact O-N 3.25Å
701	L	50.8	Low	64.4	Low	69 Å²	69	51.5 Å²	51.5	36%	0.361	29%	0.285	S	S	.	.	G	3₁₀ helix	trans	-75	-14.8	173.5	-54.4	177.7	0	0	0	112.1	S698 H703 I704 W712	S698-L701 WeakPolarHBondContact OG-CB 3.45Å; L701-H703 PolarHBondContact O-N 3.25Å; L701-I704 HydrophobicContact CD2-CD1 4.2Å; L701-I704 PolarHBondContact O-N 3.36Å; L701-W712 HydrophobicContact CD1-CE3 4.22Å; L701-W712 HydrophobicContact CD1-CH2 3.94Å; L701-W712 HydrophobicContact CD1-CZ2 4.45Å; L701-W712 HydrophobicContact CD1-CZ3 3.81Å
702	G	50.1	Low	63.5	Low	0 Å²	0	56.1 Å²	56.1	0%	0	30%	0.303	C	S	.	.	G	3₁₀ helix	trans	-52.7	-33.2	173	0	0	0	0	0	113.4	S698 D699 T700 I704 L705 R737	S698-G702 PolarHBondContact O-N 3.42Å; S698-G702 VanDerWaalsContact O-N 3.14Å; D699-G702 PolarHBondContact O-N 3.04Å; T700-G702 PolarHBondContact O-N 3.25Å; G702-I704 VanDerWaalsContact C-N 3.31Å; G702-I704 PolarHBondContact O-N 3.5Å; G702-L705 WeakPolarHBondContact O-CB 3.45Å; G702-R737 PolarHBondContact O-NH2 2.69Å
703	H	53	Low	63.4	Low	103 Å²	103	56.4 Å²	56.4	48%	0.477	31%	0.305	S	S	.	.	G	3₁₀ helix	trans	-78.2	-6.8	177.3	-65.4	-75.9	0	0	0	114.9	L701	L701-H703 PolarHBondContact O-N 3.25Å
704	I	52.8	Low	63.5	Low	79 Å²	79	56.4 Å²	56.4	41%	0.405	30%	0.304	S	S	.	.	G	3₁₀ helix	trans	-116.4	19.8	-175.1	-32.4	-179.7	0	0	0	111.3	L18 L701 G702 P706	L18-I704 HydrophobicContact CD1-CG2 4.06Å; L701-I704 HydrophobicContact CD2-CD1 4.2Å; L701-I704 PolarHBondContact O-N 3.36Å; G702-I704 VanDerWaalsContact C-N 3.31Å; G702-I704 PolarHBondContact O-N 3.5Å; I704-P706 VanDerWaalsContact C-CD 3.42Å
705	L	52.8	Low	63.4	Low	19 Å²	19	62 Å²	62	10%	0.099	33%	0.33	C	S	.	.	G	3₁₀ helix	trans	-69.8	-30.8	-159.6	-139.7	55.6	0	0	0	118.8	T696 G702 T707 Y748	T696-L705 HydrophobicContact CG2-CD1 4.08Å; T696-L705 HydrophobicContact CG2-CD2 3.58Å; G702-L705 WeakPolarHBondContact O-CB 3.45Å; L705-T707 VanDerWaalsContact C-N 3.34Å; L705-T707 PolarHBondContact O-N 2.81Å; L705-Y748 HydrophobicContact CD1-CE2 4.46Å; L705-Y748 HydrophobicContact CD2-CD1 3.62Å; L705-Y748 HydrophobicContact CD2-CD2 3.59Å; L705-Y748 HydrophobicContact CD2-CE1 3.59Å; L705-Y748 HydrophobicContact CD2-CE2 3.57Å; L705-Y748 HydrophobicContact CD2-CG 3.61Å; L705-Y748 HydrophobicContact CG-CD2 3.81Å; L705-Y748 HydrophobicContact CG-CE2 3.75Å; L705-Y748 HydrophobicContact CG-CG 4.29Å
706	P	47.9	Very low	63.4	Low	71 Å²	71	62.1 Å²	62.1	46%	0.461	33%	0.332	S	S	.	.	G	3₁₀ helix	trans	-79.7	-6.3	-163.5	31.5	-37.3	0	0	0	115.5	L18 I704 M744	L18-P706 HydrophobicContact CD1-CG 4.44Å; L18-P706 HydrophobicContact CD2-CG 3.75Å; L18-P706 HydrophobicContact CG-CG 4.19Å; I704-P706 VanDerWaalsContact C-CD 3.42Å; P706-M744 HydrophobicContact CB-CG 4.11Å; P706-M744 HydrophobicContact CB-SD 4.49Å; P706-M744 HydrophobicContact CG-CE 4.01Å; P706-M744 HydrophobicContact CG-CG 4Å; P706-M744 HydrophobicContact CG-SD 3.74Å
707	T	43.8	Very low	63.7	Low	41 Å²	41	62.1 Å²	62.1	25%	0.252	33%	0.332	S	S	.	.	G	3₁₀ helix	trans	-120.3	-5.2	-169.7	58.5	0	0	0	0	116.3	T14 L18 L705	T14-T707 HydrophobicContact CG2-CG2 4.43Å; L18-T707 HydrophobicContact CD1-CG2 3.93Å; L18-T707 WeakPolarHBondContact CD1-OG1 3.37Å; L18-T707 HydrophobicContact CG-CG2 3.92Å; L705-T707 VanDerWaalsContact C-N 3.34Å; L705-T707 PolarHBondContact O-N 2.81Å
708	L	47.1	Very low	64.2	Low	73 Å²	73	57.8 Å²	57.8	38%	0.382	32%	0.315	S	S	.	.			trans	-107.1	88.7	173.4	-90.1	71.1	0	0	0	109.8	K710	L708-K710 PolarHBondContact O-N 3.33Å
709	G	45.6	Very low	65.4	Low	72 Å²	72	62.2 Å²	62.2	74%	0.742	33%	0.331	S	S	*	.			trans	-67.6	68.8	176.7	0	0	0	0	0	113.5
710	K	49.6	Very low	67.1	Low	160 Å²	160	60.2 Å²	60.2	70%	0.696	32%	0.321	S	S	*	.	S	Bend	trans	-148	146.3	174.2	-164	170.6	-172.4	174.4	0	108	L708 W712	L708-K710 PolarHBondContact O-N 3.33Å; K710-W712 VanDerWaalsContact C-N 3.32Å; K710-W712 PolarHBondContact O-N 3Å
711	D	60.3	Low	69.1	Low	105 Å²	105	55 Å²	55	56%	0.561	29%	0.288	S	S	*	.			trans	-72.9	78.9	-165.2	-52.9	-48	0	0	0	113.9	T713	D711-T713 PolarHBondContact O-N 3.07Å
712	W	71.8	Confident	71.3	Confident	97 Å²	97	54.8 Å²	54.8	37%	0.367	29%	0.286	S	S	.	.			trans	-72.5	7.3	168.8	-64.1	105.9	0	0	0	113.1	T696 R697 L701 K710	T696-W712 CarbonylContact C-O 3.6Å; T696-W712 WeakPolarHBondContact CA-O 3.46Å; R697-W712 WeakPolarHBondContact CG-O 3.42Å; R697-W712 PolarHBondContact N-O 2.82Å; L701-W712 HydrophobicContact CD1-CE3 4.22Å; L701-W712 HydrophobicContact CD1-CH2 3.94Å; L701-W712 HydrophobicContact CD1-CZ2 4.45Å; L701-W712 HydrophobicContact CD1-CZ3 3.81Å; K710-W712 VanDerWaalsContact C-N 3.32Å; K710-W712 PolarHBondContact O-N 3Å
713	T	85.7	Confident	73.4	Confident	20 Å²	20	57.7 Å²	57.7	12%	0.123	30%	0.298	C	S	.	.	B	Isolated β-bridge	trans	-81.1	150.3	171.9	44.9	0	0	0	0	111.8	I695 R697 D711 Y748 V752	I695-T713 HydrophobicContact CG2-CG2 4.47Å; I695-T713 VanDerWaalsContact O-CA 3.3Å; I695-T713 WeakPolarHBondContact O-CA 3.42Å; R697-T713 VanDerWaalsContact CZ-O 3.24Å; R697-T713 PolarHBondContact NE-O 2.99Å; R697-T713 PolarHBondContact NH2-O 3.44Å; D711-T713 PolarHBondContact O-N 3.07Å; T713-Y748 WeakPolarHBondContact CG2-OH 3.09Å; T713-V752 HydrophobicContact CG2-CB 4.36Å; T713-V752 HydrophobicContact CG2-CG1 3.78Å; T713-V752 HydrophobicContact CG2-CG2 3.59Å
714	H	88.8	Confident	75.5	Confident	3 Å²	3	52.8 Å²	52.8	1%	0.014	28%	0.276	C	S	.	.	P	Polyproline II helix	trans	-68.4	135.7	166.9	-75.6	-76.7	0	0	0	111.8	T694 I695 T696 R697 I717 N834 G837 Y851	T694-H714 PolarHBondContact O-CD2 2.82Å; T694-H714 VanDerWaalsContact O-CD2 3.31Å; I695-H714 PolarHBondContact O-N 2.97Å; T696-H714 PolarHBondContact O-NE2 2.97Å; R697-H714 WeakPolarHBondContact CA-NE2 3.49Å; H714-I717 WeakPolarHBondContact O-CG2 3.33Å; H714-I717 PolarHBondContact O-N 2.71Å; H714-N834 PolarHBondContact CE1-O 3.07Å; H714-N834 VanDerWaalsContact CE1-O 3.24Å; H714-G837 PolarHBondContact CE1-N 2.72Å; H714-G837 WeakPolarHBondContact ND1-CA 3.04Å; H714-Y851 HydrophobicContact CB-CD2 3.66Å; H714-Y851 HydrophobicContact CB-CE2 3.44Å; H714-Y851 VanDerWaalsContact CB-CE2 3.44Å; H714-Y851 AromaticContact CG-CE2 3.85Å
715	Q	89.5	Confident	77.5	Confident	118 Å²	118	51.2 Å²	51.2	55%	0.551	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.3	137.6	-179	-170.9	-177.4	-19.3	0	0	111.4	I717 E754	Q715-I717 VanDerWaalsContact C-N 3.33Å; Q715-E754 VanDerWaalsContact CG-OE1 3.28Å; Q715-E754 WeakPolarHBondContact CG-OE1 3.43Å
716	G	90.1	Very high	79.4	Confident	3 Å²	3	55.8 Å²	55.8	3%	0.031	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	85.8	-9.4	-177.8	0	0	0	0	0	115.1	K719 L720 E754	G716-K719 PolarHBondContact O-N 2.94Å; G716-L720 PolarHBondContact O-N 3.34Å; G716-E754 WeakPolarHBondContact CA-OE2 3.15Å; G716-E754 VanDerWaalsContact N-CD 3.25Å; G716-E754 PolarHBondContact N-OE1 3.06Å; G716-E754 PolarHBondContact N-OE2 3.35Å
717	I	93.4	Very high	81.7	Confident	1 Å²	1	53 Å²	53	1%	0.005	27%	0.274	C	S	.	.	H	α-helix	trans	-67.6	-44.2	-172.2	-163.3	175.2	0	0	0	112.4	I695 H714 Q715 K719 L720 Y721 Y851	I695-I717 HydrophobicContact CB-CD1 4.2Å; I695-I717 HydrophobicContact CG1-CD1 3.8Å; I695-I717 HydrophobicContact CG2-CD1 4.45Å; H714-I717 WeakPolarHBondContact O-CG2 3.33Å; H714-I717 PolarHBondContact O-N 2.71Å; Q715-I717 VanDerWaalsContact C-N 3.33Å; I717-K719 VanDerWaalsContact C-N 3.33Å; I717-K719 PolarHBondContact O-N 3.5Å; I717-L720 PolarHBondContact O-N 3.39Å; I717-Y721 HydrophobicContact CD1-CE1 4.36Å; I717-Y721 HydrophobicContact CD1-CE2 4.13Å; I717-Y721 HydrophobicContact CG1-CD1 4.12Å; I717-Y721 HydrophobicContact CG1-CD2 4.38Å; I717-Y721 HydrophobicContact CG1-CE1 3.85Å; I717-Y721 HydrophobicContact CG1-CE2 4.13Å; I717-Y721 HydrophobicContact CG1-CG 4.38Å; I717-Y721 WeakPolarHBondContact O-CB 3.34Å; I717-Y721 PolarHBondContact O-N 2.86Å; I717-Y851 HydrophobicContact CB-CD1 4.26Å; I717-Y851 HydrophobicContact CB-CD2 4.04Å; I717-Y851 HydrophobicContact CB-CE1 4.44Å; I717-Y851 HydrophobicContact CB-CE2 4.21Å; I717-Y851 HydrophobicContact CB-CG 4.06Å; I717-Y851 HydrophobicContact CD1-CE1 3.89Å; I717-Y851 HydrophobicContact CD1-CE2 3.92Å; I717-Y851 HydrophobicContact CG1-CD1 3.93Å; I717-Y851 HydrophobicContact CG1-CD2 4.34Å; I717-Y851 HydrophobicContact CG1-CE1 3.74Å; I717-Y851 HydrophobicContact CG1-CE2 4.14Å; I717-Y851 HydrophobicContact CG1-CG 4.23Å
718	A	93.1	Very high	84.1	Confident	1 Å²	1	52.4 Å²	52.4	1%	0.008	28%	0.275	C	S	.	.	H	α-helix	trans	-66.1	-40.3	179.5	0	0	0	0	0	110.5	L720 Y721 H722 V752 E754 T757 L759	A718-L720 PolarHBondContact O-N 2.7Å; A718-Y721 PolarHBondContact O-N 3.02Å; A718-H722 WeakPolarHBondContact O-CB 3.08Å; A718-H722 PolarHBondContact O-N 2.96Å; A718-V752 HydrophobicContact CB-CG1 4.48Å; A718-E754 HydrophobicContact CB-CB 3.94Å; A718-T757 WeakPolarHBondContact CB-O 3.46Å; A718-L759 HydrophobicContact CB-CD2 4.24Å; A718-L759 HydrophobicContact CB-CG 4.46Å
719	K	93.8	Very high	86.4	Confident	120 Å²	120	49 Å²	49	52%	0.522	26%	0.258	S	S	.	.	H	α-helix	trans	-63.4	-39.1	174.6	-163.4	-175	178.1	-177.3	0	113	G716 I717 K723	G716-K719 PolarHBondContact O-N 2.94Å; I717-K719 VanDerWaalsContact C-N 3.33Å; I717-K719 PolarHBondContact O-N 3.5Å; K719-K723 PolarHBondContact O-N 3.32Å
720	L	95.4	Very high	88.8	Confident	0 Å²	0	48.8 Å²	48.8	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-64.7	-56.1	173.1	176.2	67.8	0	0	0	111.1	G716 I717 A718 H722 K723 V724 F810 Y851 L854 C855 V858	G716-L720 PolarHBondContact O-N 3.34Å; I717-L720 PolarHBondContact O-N 3.39Å; A718-L720 PolarHBondContact O-N 2.7Å; L720-H722 VanDerWaalsContact C-N 3.28Å; L720-H722 PolarHBondContact O-N 2.65Å; L720-K723 PolarHBondContact O-N 2.77Å; L720-K723 VanDerWaalsContact O-N 3.14Å; L720-V724 HydrophobicContact CD1-CG2 4.07Å; L720-V724 HydrophobicContact CG-CG2 4.3Å; L720-V724 WeakPolarHBondContact O-CG2 3.47Å; L720-V724 PolarHBondContact O-N 2.81Å; L720-F810 HydrophobicContact CD2-CE1 4.13Å; L720-F810 HydrophobicContact CD2-CZ 3.97Å; L720-Y851 HydrophobicContact CD2-CD1 3.73Å; L720-Y851 HydrophobicContact CD2-CE1 4.46Å; L720-L854 HydrophobicContact CD1-CB 4.38Å; L720-L854 HydrophobicContact CD1-CG 4.08Å; L720-L854 HydrophobicContact CD2-CB 4.33Å; L720-L854 HydrophobicContact CD2-CD2 3.67Å; L720-L854 HydrophobicContact CD2-CG 4.03Å; L720-C855 HydrophobicContact CB-CB 4.18Å; L720-C855 HydrophobicContact CD1-CB 4.13Å; L720-V858 HydrophobicContact CD1-CB 4.24Å; L720-V858 HydrophobicContact CD1-CG2 3.87Å
721	Y	96.8	Very high	91.1	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-64.4	-36.3	-172.5	-74.5	14.3	0	0	0	111.3	S689 I695 I717 A718 V724 S725 F731 Y733 L759 F810 Y851	S689-Y721 WeakPolarHBondContact CB-OH 3.3Å; S689-Y721 WeakPolarHBondContact OG-CE2 3.21Å; S689-Y721 PolarHBondContact OG-OH 3.15Å; I695-Y721 HydrophobicContact CD1-CE2 4.5Å; I695-Y721 HydrophobicContact CG1-CE2 4.5Å; I717-Y721 HydrophobicContact CD1-CE1 4.36Å; I717-Y721 HydrophobicContact CD1-CE2 4.13Å; I717-Y721 HydrophobicContact CG1-CD1 4.12Å; I717-Y721 HydrophobicContact CG1-CD2 4.38Å; I717-Y721 HydrophobicContact CG1-CE1 3.85Å; I717-Y721 HydrophobicContact CG1-CE2 4.13Å; I717-Y721 HydrophobicContact CG1-CG 4.38Å; I717-Y721 WeakPolarHBondContact O-CB 3.34Å; I717-Y721 PolarHBondContact O-N 2.86Å; A718-Y721 PolarHBondContact O-N 3.02Å; Y721-V724 PolarHBondContact O-N 2.72Å; Y721-S725 WeakPolarHBondContact O-CB 3.35Å; Y721-S725 PolarHBondContact O-N 3.43Å; Y721-F731 AromaticContact CD1-CE1 3.73Å; Y721-F731 HydrophobicContact CD1-CE1 3.73Å; Y721-F731 AromaticContact CD1-CZ 3.9Å; Y721-F731 HydrophobicContact CD1-CZ 3.9Å; Y721-F731 AromaticContact CD2-CD1 3.81Å; Y721-F731 HydrophobicContact CD2-CD1 3.81Å; Y721-F731 AromaticContact CD2-CE1 3.41Å; Y721-F731 HydrophobicContact CD2-CE1 3.41Å; Y721-F731 VanDerWaalsContact CD2-CE1 3.41Å; Y721-F731 HydrophobicContact CD2-CZ 4.09Å; Y721-F731 HydrophobicContact CE1-CE1 4.06Å; Y721-F731 HydrophobicContact CE2-CD1 4.13Å; Y721-F731 AromaticContact CE2-CE1 3.77Å; Y721-F731 HydrophobicContact CE2-CE1 3.77Å; Y721-F731 HydrophobicContact CG-CD1 4.2Å; Y721-F731 AromaticContact CG-CE1 3.39Å; Y721-F731 HydrophobicContact CG-CE1 3.39Å; Y721-F731 AromaticContact CG-CZ 3.62Å; Y721-F731 HydrophobicContact CG-CZ 3.62Å; Y721-F731 VanDerWaalsContact O-CE2 3.29Å; Y721-F731 WeakPolarHBondContact O-CE2 3.49Å; Y721-Y733 HydrophobicContact CD2-CE1 4.3Å; Y721-Y733 HydrophobicContact CE2-CE1 4.18Å; Y721-L759 HydrophobicContact CD2-CD2 3.75Å; Y721-L759 HydrophobicContact CG-CD2 4.31Å; Y721-F810 HydrophobicContact CE1-CD1 4.42Å; Y721-F810 AromaticContact CE1-CD2 3.93Å; Y721-F810 HydrophobicContact CE1-CD2 3.93Å; Y721-F810 HydrophobicContact CE1-CE1 4.41Å; Y721-F810 AromaticContact CE1-CE2 3.91Å; Y721-F810 HydrophobicContact CE1-CE2 3.91Å; Y721-F810 HydrophobicContact CE1-CG 4.2Å; Y721-F810 HydrophobicContact CE1-CZ 4.17Å; Y721-F810 VanDerWaalsContact OH-CB 3.28Å; Y721-F810 WeakPolarHBondContact OH-CB 3.49Å; Y721-F810 VanDerWaalsContact OH-CG 3.3Å; Y721-F810 WeakPolarHBondContact OH-CG 3.34Å; Y721-Y851 HydrophobicContact CE1-CE1 4.33Å
722	H	94.9	Very high	92.9	Very high	65 Å²	65	36.2 Å²	36.2	30%	0.301	18%	0.177	S	C	.	.	H	α-helix	trans	-60.7	-47.7	173.1	-168.5	94.9	0	0	0	112	A718 L720 S725 Q726 T757	A718-H722 WeakPolarHBondContact O-CB 3.08Å; A718-H722 PolarHBondContact O-N 2.96Å; L720-H722 VanDerWaalsContact C-N 3.28Å; L720-H722 PolarHBondContact O-N 2.65Å; H722-S725 PolarHBondContact O-N 2.85Å; H722-Q726 PolarHBondContact CD2-NE2 2.89Å; H722-Q726 PolarHBondContact NE2-NE2 2.72Å; H722-Q726 WeakPolarHBondContact O-CG 3.42Å; H722-Q726 PolarHBondContact O-N 2.55Å; H722-T757 HydrophobicContact CB-CG2 3.48Å; H722-T757 VanDerWaalsContact CB-CG2 3.48Å
723	K	94.9	Very high	94	Very high	61 Å²	61	31.7 Å²	31.7	27%	0.265	16%	0.159	S	C	.	.	H	α-helix	trans	-61.2	-44	173.9	-83.1	-159.7	179.7	-172.4	0	112.8	K719 L720 S725 Q726 N727 C855 V858	K719-K723 PolarHBondContact O-N 3.32Å; L720-K723 PolarHBondContact O-N 2.77Å; L720-K723 VanDerWaalsContact O-N 3.14Å; K723-S725 VanDerWaalsContact C-N 3.25Å; K723-S725 PolarHBondContact O-N 2.9Å; K723-Q726 WeakPolarHBondContact O-CB 3.39Å; K723-Q726 PolarHBondContact O-N 3.22Å; K723-Q726 VanDerWaalsContact O-N 3.17Å; K723-N727 PolarHBondContact O-N 2.9Å; K723-C855 PolarHBondContact NZ-O 3.13Å; K723-V858 HydrophobicContact CB-CG1 4.26Å; K723-V858 HydrophobicContact CD-CG1 3.51Å
724	V	96.4	Very high	94.3	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-60.4	-38.3	177.5	172.1	0	0	0	0	110.8	V687 L720 Y721 N727 Y729 F731 V858 F862	V687-V724 HydrophobicContact CG2-CG1 4.04Å; L720-V724 HydrophobicContact CD1-CG2 4.07Å; L720-V724 HydrophobicContact CG-CG2 4.3Å; L720-V724 WeakPolarHBondContact O-CG2 3.47Å; L720-V724 PolarHBondContact O-N 2.81Å; Y721-V724 PolarHBondContact O-N 2.72Å; V724-N727 PolarHBondContact O-N 3.46Å; V724-Y729 HydrophobicContact CG1-CD2 4.1Å; V724-Y729 HydrophobicContact CG1-CG 4.13Å; V724-Y729 WeakPolarHBondContact O-CD2 3.48Å; V724-Y729 PolarHBondContact O-N 3.19Å; V724-F731 HydrophobicContact CB-CE2 3.94Å; V724-F731 HydrophobicContact CB-CZ 3.85Å; V724-F731 HydrophobicContact CG1-CE2 3.73Å; V724-F731 HydrophobicContact CG1-CZ 3.67Å; V724-V858 HydrophobicContact CG2-CG2 3.53Å; V724-F862 HydrophobicContact CG1-CB 4.43Å; V724-F862 HydrophobicContact CG1-CD1 3.58Å; V724-F862 HydrophobicContact CG1-CE1 3.91Å; V724-F862 HydrophobicContact CG1-CG 4.02Å; V724-F862 HydrophobicContact CG2-CB 4.2Å; V724-F862 HydrophobicContact CG2-CD1 4.1Å; V724-F862 HydrophobicContact CG2-CD2 3.76Å; V724-F862 HydrophobicContact CG2-CE1 4.38Å; V724-F862 HydrophobicContact CG2-CE2 4.08Å; V724-F862 HydrophobicContact CG2-CG 3.77Å; V724-F862 HydrophobicContact CG2-CZ 4.38Å
725	S	95.3	Very high	94.1	Very high	45 Å²	45	31.5 Å²	31.5	32%	0.315	16%	0.159	S	C	.	.	H	α-helix	trans	-69.8	-38.5	174.4	-173	0	0	0	0	112.9	Y721 H722 K723 N727 G728 Y729	Y721-S725 WeakPolarHBondContact O-CB 3.35Å; Y721-S725 PolarHBondContact O-N 3.43Å; H722-S725 PolarHBondContact O-N 2.85Å; K723-S725 VanDerWaalsContact C-N 3.25Å; K723-S725 PolarHBondContact O-N 2.9Å; S725-N727 PolarHBondContact O-N 3.23Å; S725-G728 PolarHBondContact O-N 3.31Å; S725-Y729 WeakPolarHBondContact CA-O 3.36Å
726	Q	94.1	Very high	93.6	Very high	115 Å²	115	29.5 Å²	29.5	54%	0.537	16%	0.163	S	C	.	.	H	α-helix	trans	-57.7	-35.1	170.7	-72.7	176.7	-13	0	0	112.2	H722 K723 G728	H722-Q726 PolarHBondContact CD2-NE2 2.89Å; H722-Q726 PolarHBondContact NE2-NE2 2.72Å; H722-Q726 WeakPolarHBondContact O-CG 3.42Å; H722-Q726 PolarHBondContact O-N 2.55Å; K723-Q726 WeakPolarHBondContact O-CB 3.39Å; K723-Q726 PolarHBondContact O-N 3.22Å; K723-Q726 VanDerWaalsContact O-N 3.17Å; Q726-G728 PolarHBondContact O-N 3.07Å
727	N	95.1	Very high	93.1	Very high	14 Å²	14	29.5 Å²	29.5	8%	0.075	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.9	5.1	176.7	-69.3	5.8	0	0	0	114	K723 V724 S725 Y729 D859 F862 L864 L865	K723-N727 PolarHBondContact O-N 2.9Å; V724-N727 PolarHBondContact O-N 3.46Å; S725-N727 PolarHBondContact O-N 3.23Å; N727-Y729 HydrophobicContact CB-CD2 4.2Å; N727-Y729 HydrophobicContact CB-CE2 4.27Å; N727-D859 PolarHBondContact ND2-OD1 2.8Å; N727-F862 PolarHBondContact ND2-O 2.97Å; N727-L864 HydrophobicContact CB-CD2 4.25Å; N727-L865 PolarHBondContact O-N 2.96Å
728	G	93.6	Very high	92.5	Very high	28 Å²	28	29.8 Å²	29.8	29%	0.289	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	105.7	-11.6	169.5	0	0	0	0	0	115.3	S725 Q726	S725-G728 PolarHBondContact O-N 3.31Å; Q726-G728 PolarHBondContact O-N 3.07Å
729	Y	96.6	Very high	92.1	Very high	2 Å²	2	29.9 Å²	29.9	1%	0.008	16%	0.164	C	C	.	.	P	Polyproline II helix	trans	-72.7	142.5	-175.5	-63.6	-89.6	0	0	0	112.5	K685 V687 V724 S725 N727 Y807 F862 P863 L865	K685-Y729 HydrophobicContact CB-CD1 3.8Å; K685-Y729 HydrophobicContact CB-CE1 3.96Å; K685-Y729 WeakPolarHBondContact O-CA 3.45Å; V687-Y729 HydrophobicContact CG2-CD1 4.17Å; V687-Y729 HydrophobicContact CG2-CG 4.3Å; V724-Y729 HydrophobicContact CG1-CD2 4.1Å; V724-Y729 HydrophobicContact CG1-CG 4.13Å; V724-Y729 WeakPolarHBondContact O-CD2 3.48Å; V724-Y729 PolarHBondContact O-N 3.19Å; S725-Y729 WeakPolarHBondContact CA-O 3.36Å; N727-Y729 HydrophobicContact CB-CD2 4.2Å; N727-Y729 HydrophobicContact CB-CE2 4.27Å; Y729-Y807 HydrophobicContact CD1-CD1 4.01Å; Y729-Y807 HydrophobicContact CD1-CG 4.12Å; Y729-Y807 AromaticContact CE1-CD1 3.32Å; Y729-Y807 HydrophobicContact CE1-CD1 3.32Å; Y729-Y807 AromaticContact CE1-CD2 3.84Å; Y729-Y807 HydrophobicContact CE1-CD2 3.84Å; Y729-Y807 AromaticContact CE1-CE1 3.61Å; Y729-Y807 HydrophobicContact CE1-CE1 3.61Å; Y729-Y807 HydrophobicContact CE1-CE2 4.09Å; Y729-Y807 AromaticContact CE1-CG 3.44Å; Y729-Y807 HydrophobicContact CE1-CG 3.44Å; Y729-Y807 VanDerWaalsContact CE1-CG 3.44Å; Y729-Y807 AromaticContact CE1-CZ 3.98Å; Y729-Y807 AromaticContact CZ-CD1 3.87Å; Y729-Y807 AromaticContact CZ-CE1 3.64Å; Y729-Y807 AromaticContact CZ-CZ 3.89Å; Y729-Y807 VanDerWaalsContact OH-CE1 3.29Å; Y729-Y807 WeakPolarHBondContact OH-CE1 3.38Å; Y729-Y807 PolarHBondContact OH-OH 3.49Å; Y729-F862 HydrophobicContact CD2-CB 4.23Å; Y729-F862 HydrophobicContact CD2-CD1 4.34Å; Y729-F862 HydrophobicContact CE2-CB 3.73Å; Y729-F862 HydrophobicContact CE2-CD1 4.25Å; Y729-P863 WeakPolarHBondContact CE2-O 3.26Å; Y729-P863 PolarHBondContact OH-O 2.69Å; Y729-L865 HydrophobicContact CD1-CD1 3.87Å; Y729-L865 HydrophobicContact CD2-CD1 4.2Å; Y729-L865 HydrophobicContact CD2-CG 4.33Å; Y729-L865 HydrophobicContact CE1-CD1 3.88Å; Y729-L865 HydrophobicContact CE1-CD2 4.01Å; Y729-L865 HydrophobicContact CE1-CG 4.14Å; Y729-L865 HydrophobicContact CE2-CD1 4.22Å; Y729-L865 HydrophobicContact CE2-CD2 4.33Å; Y729-L865 HydrophobicContact CE2-CG 3.93Å; Y729-L865 HydrophobicContact CG-CD1 4.03Å
730	K	96.3	Very high	91.4	Very high	67 Å²	67	24.7 Å²	24.7	29%	0.291	15%	0.145	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	150.3	171.5	-47.6	-54.5	178.3	-163.3	0	110.4	W680 D684 K685 V686 V687	W680-K730 HydrophobicContact CD2-CB 4.48Å; W680-K730 HydrophobicContact CD2-CG 4.22Å; W680-K730 HydrophobicContact CH2-CB 3.98Å; W680-K730 HydrophobicContact CZ2-CB 3.7Å; W680-K730 HydrophobicContact CZ2-CG 4.24Å; W680-K730 HydrophobicContact CZ3-CB 4.48Å; D684-K730 HydrophobicContact CB-CG 4.12Å; D684-K730 WeakPolarHBondContact OD1-CE 3.39Å; D684-K730 IonicContact OD1-NZ 2.9Å; D684-K730 PolarHBondContact OD1-NZ 3.26Å; D684-K730 WeakPolarHBondContact OD2-CE 3.35Å; K685-K730 PolarHBondContact O-N 2.75Å; V686-K730 CarbonylContact C-O 3.56Å; V686-K730 WeakPolarHBondContact CA-O 3.45Å; V686-K730 HydrophobicContact CG2-CB 4.41Å; V687-K730 PolarHBondContact N-O 3.39Å
731	F	97.5	Very high	90.7	Very high	1 Å²	1	25.3 Å²	25.3	0%	0.004	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	140.3	171.8	-84.4	-94.7	0	0	0	111.5	V687 Y721 V724 Y733 P760 G762 P763	V687-F731 HydrophobicContact CB-CD1 4.3Å; V687-F731 HydrophobicContact CB-CE1 4.07Å; V687-F731 HydrophobicContact CB-CZ 4.26Å; V687-F731 HydrophobicContact CG1-CD1 4.22Å; V687-F731 HydrophobicContact CG1-CE1 3.66Å; V687-F731 HydrophobicContact CG1-CZ 4.06Å; V687-F731 WeakPolarHBondContact O-CA 3.4Å; Y721-F731 AromaticContact CD1-CE1 3.73Å; Y721-F731 HydrophobicContact CD1-CE1 3.73Å; Y721-F731 AromaticContact CD1-CZ 3.9Å; Y721-F731 HydrophobicContact CD1-CZ 3.9Å; Y721-F731 AromaticContact CD2-CD1 3.81Å; Y721-F731 HydrophobicContact CD2-CD1 3.81Å; Y721-F731 AromaticContact CD2-CE1 3.41Å; Y721-F731 HydrophobicContact CD2-CE1 3.41Å; Y721-F731 VanDerWaalsContact CD2-CE1 3.41Å; Y721-F731 HydrophobicContact CD2-CZ 4.09Å; Y721-F731 HydrophobicContact CE1-CE1 4.06Å; Y721-F731 HydrophobicContact CE2-CD1 4.13Å; Y721-F731 AromaticContact CE2-CE1 3.77Å; Y721-F731 HydrophobicContact CE2-CE1 3.77Å; Y721-F731 HydrophobicContact CG-CD1 4.2Å; Y721-F731 AromaticContact CG-CE1 3.39Å; Y721-F731 HydrophobicContact CG-CE1 3.39Å; Y721-F731 AromaticContact CG-CZ 3.62Å; Y721-F731 HydrophobicContact CG-CZ 3.62Å; Y721-F731 VanDerWaalsContact O-CE2 3.29Å; Y721-F731 WeakPolarHBondContact O-CE2 3.49Å; V724-F731 HydrophobicContact CB-CE2 3.94Å; V724-F731 HydrophobicContact CB-CZ 3.85Å; V724-F731 HydrophobicContact CG1-CE2 3.73Å; V724-F731 HydrophobicContact CG1-CZ 3.67Å; F731-Y733 HydrophobicContact CB-CE2 3.95Å; F731-Y733 HydrophobicContact CD1-CE1 4.38Å; F731-P760 HydrophobicContact CB-CG 4.32Å; F731-P760 HydrophobicContact CD2-CB 4.18Å; F731-P760 HydrophobicContact CD2-CG 3.39Å; F731-P760 HydrophobicContact CE2-CG 3.8Å; F731-P760 HydrophobicContact CG-CG 3.8Å; F731-G762 WeakPolarHBondContact O-CA 3.18Å; F731-P763 WeakPolarHBondContact O-CD 3.45Å
732	L	97.3	Very high	90.2	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	114.3	171.9	177.5	62.2	0	0	0	108.3	I34 V686 V687 I688 S689 P763 L765 L792 I795 F806	I34-L732 HydrophobicContact CD1-CD1 3.61Å; V686-L732 HydrophobicContact CG1-CB 3.51Å; V686-L732 HydrophobicContact CG1-CD2 4.25Å; V687-L732 PolarHBondContact O-N 2.88Å; I688-L732 CarbonylContact C-O 3.53Å; I688-L732 WeakPolarHBondContact CA-O 3.24Å; I688-L732 HydrophobicContact CG1-CD2 4.47Å; S689-L732 PolarHBondContact N-O 3.44Å; L732-P763 HydrophobicContact CD1-CB 4.4Å; L732-P763 HydrophobicContact CD1-CG 3.8Å; L732-L765 HydrophobicContact CD1-CD1 3.77Å; L732-L765 HydrophobicContact CD1-CG 3.84Å; L732-L765 HydrophobicContact CD2-CD1 4.09Å; L732-L765 HydrophobicContact CG-CD1 4.17Å; L732-L792 HydrophobicContact CD2-CD2 3.97Å; L732-I795 HydrophobicContact CD2-CG2 4.23Å; L732-F806 HydrophobicContact CD2-CE1 3.76Å; L732-F806 HydrophobicContact CD2-CZ 4.34Å
733	Y	96.1	Very high	89.7	Confident	2 Å²	2	25.5 Å²	25.5	1%	0.008	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	141.9	179.4	-62.5	-71.4	0	0	0	110.3	S689 I695 Y721 F731 L749 P760 P763 L765	S689-Y733 CarbonylContact O-C 3.57Å; S689-Y733 WeakPolarHBondContact O-CA 3.42Å; I695-Y733 HydrophobicContact CD1-CD1 3.8Å; I695-Y733 HydrophobicContact CD1-CE1 3.75Å; Y721-Y733 HydrophobicContact CD2-CE1 4.3Å; Y721-Y733 HydrophobicContact CE2-CE1 4.18Å; F731-Y733 HydrophobicContact CB-CE2 3.95Å; F731-Y733 HydrophobicContact CD1-CE1 4.38Å; Y733-L749 HydrophobicContact CD1-CD1 4.34Å; Y733-L749 HydrophobicContact CD2-CD1 3.96Å; Y733-L749 HydrophobicContact CE2-CD1 4.5Å; Y733-L749 HydrophobicContact CG-CD1 3.87Å; Y733-P760 PolarHBondContact OH-O 3.45Å; Y733-P760 VanDerWaalsContact OH-O 3.1Å; Y733-P763 PolarHBondContact N-O 3.49Å; Y733-L765 PolarHBondContact O-N 3.3Å
734	C	91.1	Very high	89.1	Confident	11 Å²	11	24.9 Å²	24.9	7%	0.074	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	144.4	179.8	-66.2	0	0	0	0	110.3	S689 D690 I691 L765	S689-C734 PolarHBondContact O-N 3.05Å; D690-C734 CarbonylContact C-O 3.5Å; D690-C734 VanDerWaalsContact CA-O 3.32Å; D690-C734 WeakPolarHBondContact CA-O 3.42Å; I691-C734 PolarHBondContact N-O 3.04Å; C734-L765 CarbonylContact C-O 3.58Å; C734-L765 WeakPolarHBondContact CA-O 3.43Å
735	S	85.6	Confident	88.6	Confident	7 Å²	7	24.9 Å²	24.9	5%	0.049	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152	153.1	170.6	165.3	0	0	0	0	111.1	D692 R737 L765	D692-S735 WeakPolarHBondContact OD2-CB 3.2Å; D692-S735 PolarHBondContact OD2-OG 3.32Å; S735-R737 VanDerWaalsContact C-N 3.26Å; S735-R737 PolarHBondContact O-N 3.49Å; S735-R737 WeakPolarHBondContact OG-CB 3.48Å; S735-R737 VanDerWaalsContact OG-CD 3.24Å; S735-R737 WeakPolarHBondContact OG-CD 3.38Å; S735-R737 WeakPolarHBondContact OG-CG 3.4Å; S735-R737 PolarHBondContact OG-N 2.92Å; S735-L765 PolarHBondContact N-O 3.01Å
736	A	78.8	Confident	88.3	Confident	77 Å²	77	25 Å²	25	64%	0.636	14%	0.144	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-78.7	-4.2	173.3	0	0	0	0	0	113.9
737	R	80	Confident	87.9	Confident	3 Å²	3	21.5 Å²	21.5	1%	0.011	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.3	149.1	176.9	-68.4	161.8	-166.6	-140.5	-5.3	111.7	D692 G702 S735 M741 T745 L766 S767	D692-R737 IonicContact OD1-CZ 2.86Å; D692-R737 IonicContact OD1-NE 2.63Å; D692-R737 PolarHBondContact OD1-NE 3.27Å; D692-R737 IonicContact OD1-NH2 2.68Å; D692-R737 PolarHBondContact OD1-NH2 2.96Å; D692-R737 IonicContact OD2-CZ 2.8Å; D692-R737 IonicContact OD2-NE 3.16Å; D692-R737 PolarHBondContact OD2-NE 3.46Å; D692-R737 IonicContact OD2-NH2 2.66Å; G702-R737 PolarHBondContact O-NH2 2.69Å; S735-R737 VanDerWaalsContact C-N 3.26Å; S735-R737 PolarHBondContact O-N 3.49Å; S735-R737 WeakPolarHBondContact OG-CB 3.48Å; S735-R737 VanDerWaalsContact OG-CD 3.24Å; S735-R737 WeakPolarHBondContact OG-CD 3.38Å; S735-R737 WeakPolarHBondContact OG-CG 3.4Å; S735-R737 PolarHBondContact OG-N 2.92Å; R737-M741 HydrophobicContact CB-CB 4.45Å; R737-M741 HydrophobicContact CB-SD 4.3Å; R737-M741 HydrophobicContact CG-SD 4.31Å; R737-T745 WeakPolarHBondContact CD-OG1 3.23Å; R737-T745 PolarHBondContact NH1-OG1 2.83Å; R737-L766 HydrophobicContact CB-CD2 4.09Å; R737-S767 WeakPolarHBondContact O-CB 3.43Å; R737-S767 PolarHBondContact O-N 2.93Å
738	A	81.1	Confident	87.4	Confident	6 Å²	6	21.9 Å²	21.9	5%	0.05	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	149	173.7	0	0	0	0	0	112.3	G740 M741 S767 S769 L771	A738-G740 PolarHBondContact O-N 2.81Å; A738-M741 WeakPolarHBondContact O-CB 3.29Å; A738-M741 PolarHBondContact O-N 3.17Å; A738-S767 CarbonylContact C-O 3.58Å; A738-S769 VanDerWaalsContact CB-O 3.23Å; A738-S769 WeakPolarHBondContact CB-O 3.34Å; A738-L771 HydrophobicContact CB-CD2 3.53Å; A738-L771 HydrophobicContact CB-CG 3.89Å
739	I	83.3	Confident	87.2	Confident	3 Å²	3	21.2 Å²	21.2	2%	0.015	13%	0.129	C	C	.	.	G	3₁₀ helix	trans	-46.2	-35.1	175.5	-172.8	171.7	0	0	0	114.6	G29 I31 H49 R51 M741 A742 S767	G29-I739 WeakPolarHBondContact O-CD1 3.38Å; G29-I739 WeakPolarHBondContact O-CG1 3.47Å; I31-I739 HydrophobicContact CD1-CD1 4.49Å; I31-I739 HydrophobicContact CG1-CB 4.47Å; I31-I739 HydrophobicContact CG1-CD1 3.99Å; I31-I739 HydrophobicContact CG1-CG1 3.95Å; H49-I739 HydrophobicContact CB-CD1 4.16Å; H49-I739 WeakPolarHBondContact O-CD1 3.39Å; R51-I739 HydrophobicContact CB-CD1 4.02Å; I739-M741 PolarHBondContact O-N 3.18Å; I739-A742 VanDerWaalsContact O-CB 3.27Å; I739-A742 WeakPolarHBondContact O-CB 3.4Å; I739-A742 PolarHBondContact O-N 3.14Å; I739-A742 VanDerWaalsContact O-N 3.1Å; I739-S767 PolarHBondContact N-O 3.44Å
740	G	80.2	Confident	86.7	Confident	12 Å²	12	28 Å²	28	12%	0.124	16%	0.161	C	C	.	.	G	3₁₀ helix	trans	-70.6	5.3	175.9	0	0	0	0	0	115.5	L27 A738	L27-G740 WeakPolarHBondContact CD2-O 3.41Å; A738-G740 PolarHBondContact O-N 2.81Å
741	M	79.6	Confident	86.2	Confident	13 Å²	13	31.9 Å²	31.9	6%	0.064	17%	0.174	C	C	.	.	G	3₁₀ helix	trans	-113.2	12.9	171.2	-59.1	-177.5	68.7	0	0	112.2	R737 A738 I739 M744 T745	R737-M741 HydrophobicContact CB-CB 4.45Å; R737-M741 HydrophobicContact CB-SD 4.3Å; R737-M741 HydrophobicContact CG-SD 4.31Å; A738-M741 WeakPolarHBondContact O-CB 3.29Å; A738-M741 PolarHBondContact O-N 3.17Å; I739-M741 PolarHBondContact O-N 3.18Å; M741-M744 HydrophobicContact CE-SD 4.03Å; M741-T745 WeakPolarHBondContact O-CB 3.38Å; M741-T745 PolarHBondContact O-N 2.74Å; M741-T745 VanDerWaalsContact O-N 3.07Å; M741-T745 PolarHBondContact O-OG1 2.75Å
742	A	86.5	Confident	85.6	Confident	2 Å²	2	32 Å²	32	2%	0.017	18%	0.175	C	C	.	.	H	α-helix	trans	-59.4	-54.5	-173.9	0	0	0	0	0	113.1	C30 I739 M744 T745 R746 L766	C30-A742 WeakPolarHBondContact O-CB 3.47Å; I739-A742 VanDerWaalsContact O-CB 3.27Å; I739-A742 WeakPolarHBondContact O-CB 3.4Å; I739-A742 PolarHBondContact O-N 3.14Å; I739-A742 VanDerWaalsContact O-N 3.1Å; A742-M744 VanDerWaalsContact C-N 3.32Å; A742-M744 PolarHBondContact O-N 2.92Å; A742-T745 WeakPolarHBondContact O-CA 3.38Å; A742-T745 PolarHBondContact O-N 3.2Å; A742-R746 PolarHBondContact O-N 3.2Å; A742-L766 HydrophobicContact CB-CD1 3.58Å
743	D	85.3	Confident	85.1	Confident	67 Å²	67	36.2 Å²	36.2	36%	0.358	20%	0.197	S	C	.	.	H	α-helix	trans	-62.7	-38.9	-176.9	-56.5	-63.4	0	0	0	112.5	T745 R746 G747	D743-T745 VanDerWaalsContact C-N 3.26Å; D743-T745 PolarHBondContact O-N 3.32Å; D743-R746 IonicContact OD1-CZ 3.79Å; D743-R746 VanDerWaalsContact OD1-CZ 3.24Å; D743-R746 IonicContact OD1-NH1 2.74Å; D743-R746 PolarHBondContact OD1-NH1 3.38Å; D743-R746 IonicContact OD1-NH2 3.67Å; D743-R746 PolarHBondContact OD1-NH2 3.18Å; D743-G747 PolarHBondContact O-N 3.42Å
744	M	82.3	Confident	84.5	Confident	48 Å²	48	38 Å²	38	24%	0.236	21%	0.206	C	C	.	.	H	α-helix	trans	-61.8	-34.2	173	-174.4	-173.1	-65.2	0	0	112.3	L18 L22 P706 M741 A742 Y748	L18-M744 HydrophobicContact CD2-CE 4.05Å; L22-M744 HydrophobicContact CD1-CE 4.41Å; L22-M744 HydrophobicContact CD2-CE 4.09Å; L22-M744 HydrophobicContact CG-CE 4.31Å; P706-M744 HydrophobicContact CB-CG 4.11Å; P706-M744 HydrophobicContact CB-SD 4.49Å; P706-M744 HydrophobicContact CG-CE 4.01Å; P706-M744 HydrophobicContact CG-CG 4Å; P706-M744 HydrophobicContact CG-SD 3.74Å; M741-M744 HydrophobicContact CE-SD 4.03Å; A742-M744 VanDerWaalsContact C-N 3.32Å; A742-M744 PolarHBondContact O-N 2.92Å; M744-Y748 WeakPolarHBondContact O-CB 3.23Å; M744-Y748 PolarHBondContact O-N 3.48Å; M744-Y748 VanDerWaalsContact O-N 3.11Å
745	T	85.6	Confident	84.2	Confident	0 Å²	0	48.2 Å²	48.2	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-83.6	-42.4	-176.8	-54.1	0	0	0	0	111.6	I691 R737 M741 A742 D743 Y748 L749 V764	I691-T745 HydrophobicContact CD1-CG2 3.52Å; R737-T745 WeakPolarHBondContact CD-OG1 3.23Å; R737-T745 PolarHBondContact NH1-OG1 2.83Å; M741-T745 WeakPolarHBondContact O-CB 3.38Å; M741-T745 PolarHBondContact O-N 2.74Å; M741-T745 VanDerWaalsContact O-N 3.07Å; M741-T745 PolarHBondContact O-OG1 2.75Å; A742-T745 WeakPolarHBondContact O-CA 3.38Å; A742-T745 PolarHBondContact O-N 3.2Å; D743-T745 VanDerWaalsContact C-N 3.26Å; D743-T745 PolarHBondContact O-N 3.32Å; T745-Y748 PolarHBondContact O-N 2.87Å; T745-L749 WeakPolarHBondContact O-CG 3.28Å; T745-L749 PolarHBondContact O-N 2.94Å; T745-L749 VanDerWaalsContact O-N 3.15Å; T745-V764 HydrophobicContact CG2-CG1 4.09Å
746	R	88	Confident	84.1	Confident	46 Å²	46	50.9 Å²	50.9	17%	0.174	27%	0.271	C	S	.	.	H	α-helix	trans	-59.5	-48.7	168.5	-87.2	-171.7	-88.3	88.8	9.4	111.4	D32 E674 A742 D743 Y748 L749 H750 V764	D32-R746 WeakPolarHBondContact OD1-CD 3.06Å; D32-R746 IonicContact OD1-NE 2.72Å; D32-R746 PolarHBondContact OD1-NE 3.27Å; E674-R746 PolarHBondContact O-NH2 2.8Å; A742-R746 PolarHBondContact O-N 3.2Å; D743-R746 IonicContact OD1-CZ 3.79Å; D743-R746 VanDerWaalsContact OD1-CZ 3.24Å; D743-R746 IonicContact OD1-NH1 2.74Å; D743-R746 PolarHBondContact OD1-NH1 3.38Å; D743-R746 IonicContact OD1-NH2 3.67Å; D743-R746 PolarHBondContact OD1-NH2 3.18Å; R746-Y748 VanDerWaalsContact C-N 3.31Å; R746-Y748 PolarHBondContact O-N 2.82Å; R746-L749 PolarHBondContact O-N 2.78Å; R746-H750 PolarHBondContact O-N 2.9Å; R746-V764 HydrophobicContact CG-CB 4.41Å; R746-V764 HydrophobicContact CG-CG2 3.84Å
747	G	86.4	Confident	84.6	Confident	42 Å²	42	49 Å²	49	43%	0.433	25%	0.251	S	S	.	.	H	α-helix	trans	-60.1	-38.4	178.6	0	0	0	0	0	113.1	D743 H750 W751	D743-G747 PolarHBondContact O-N 3.42Å; G747-H750 PolarHBondContact O-N 3.38Å; G747-W751 WeakPolarHBondContact O-CB 3.49Å; G747-W751 PolarHBondContact O-N 3.45Å
748	Y	85.7	Confident	85.2	Confident	23 Å²	23	51.8 Å²	51.8	9%	0.09	27%	0.269	C	S	.	.	H	α-helix	trans	-61.5	-50.8	171.9	171.6	-105.5	0	0	0	112.3	I695 T696 L705 T713 M744 T745 R746 H750 W751 V752	I695-Y748 HydrophobicContact CG2-CE1 4.25Å; T696-Y748 HydrophobicContact CG2-CE1 4.03Å; L705-Y748 HydrophobicContact CD1-CE2 4.46Å; L705-Y748 HydrophobicContact CD2-CD1 3.62Å; L705-Y748 HydrophobicContact CD2-CD2 3.59Å; L705-Y748 HydrophobicContact CD2-CE1 3.59Å; L705-Y748 HydrophobicContact CD2-CE2 3.57Å; L705-Y748 HydrophobicContact CD2-CG 3.61Å; L705-Y748 HydrophobicContact CG-CD2 3.81Å; L705-Y748 HydrophobicContact CG-CE2 3.75Å; L705-Y748 HydrophobicContact CG-CG 4.29Å; T713-Y748 WeakPolarHBondContact CG2-OH 3.09Å; M744-Y748 WeakPolarHBondContact O-CB 3.23Å; M744-Y748 PolarHBondContact O-N 3.48Å; M744-Y748 VanDerWaalsContact O-N 3.11Å; T745-Y748 PolarHBondContact O-N 2.87Å; R746-Y748 VanDerWaalsContact C-N 3.31Å; R746-Y748 PolarHBondContact O-N 2.82Å; Y748-H750 VanDerWaalsContact C-N 3.25Å; Y748-H750 PolarHBondContact O-N 2.85Å; Y748-W751 PolarHBondContact O-N 2.76Å; Y748-V752 HydrophobicContact CD1-CG2 4.39Å; Y748-V752 HydrophobicContact CD2-CG2 4.34Å; Y748-V752 HydrophobicContact CE1-CG2 3.88Å; Y748-V752 HydrophobicContact CE2-CG2 3.82Å; Y748-V752 WeakPolarHBondContact O-CG2 3.24Å; Y748-V752 PolarHBondContact O-N 2.77Å
749	L	89.1	Confident	85.8	Confident	14 Å²	14	52.1 Å²	52.1	7%	0.073	27%	0.27	C	S	.	.	H	α-helix	trans	-59.8	-36.9	-179.8	-67.4	174.7	0	0	0	112.2	I691 I695 Y733 T745 R746 L759 V764	I691-L749 HydrophobicContact CD1-CD1 3.95Å; I691-L749 HydrophobicContact CD1-CD2 4.47Å; I691-L749 HydrophobicContact CD1-CG 4.48Å; I691-L749 HydrophobicContact CG1-CD2 4.42Å; I691-L749 HydrophobicContact CG2-CD2 4.44Å; I695-L749 HydrophobicContact CD1-CD2 3.68Å; Y733-L749 HydrophobicContact CD1-CD1 4.34Å; Y733-L749 HydrophobicContact CD2-CD1 3.96Å; Y733-L749 HydrophobicContact CE2-CD1 4.5Å; Y733-L749 HydrophobicContact CG-CD1 3.87Å; T745-L749 WeakPolarHBondContact O-CG 3.28Å; T745-L749 PolarHBondContact O-N 2.94Å; T745-L749 VanDerWaalsContact O-N 3.15Å; R746-L749 PolarHBondContact O-N 2.78Å; L749-L759 HydrophobicContact CB-CD1 4.49Å; L749-L759 HydrophobicContact CD2-CD1 3.76Å; L749-V764 HydrophobicContact CD1-CG2 3.65Å
750	H	86.1	Confident	86.3	Confident	143 Å²	143	52.6 Å²	52.6	66%	0.662	27%	0.273	S	S	*	.	H	α-helix	trans	-72.8	-25.2	175.3	-161.6	-51.5	0	0	0	113.2	R746 G747 Y748	R746-H750 PolarHBondContact O-N 2.9Å; G747-H750 PolarHBondContact O-N 3.38Å; Y748-H750 VanDerWaalsContact C-N 3.25Å; Y748-H750 PolarHBondContact O-N 2.85Å
751	W	84.9	Confident	87	Confident	150 Å²	150	58.1 Å²	58.1	57%	0.568	30%	0.296	S	S	*	.	H	α-helix	trans	-80.1	-26.4	175.3	-175.2	86.1	0	0	0	113	G747 Y748 N753	G747-W751 WeakPolarHBondContact O-CB 3.49Å; G747-W751 PolarHBondContact O-N 3.45Å; Y748-W751 PolarHBondContact O-N 2.76Å; W751-N753 PolarHBondContact O-N 3.07Å
752	V	85.6	Confident	87.7	Confident	4 Å²	4	57.8 Å²	57.8	2%	0.024	30%	0.295	C	S	.	.			trans	-62	108	179.2	171.6	0	0	0	0	111.1	T713 A718 Y748 V758 L759	T713-V752 HydrophobicContact CG2-CB 4.36Å; T713-V752 HydrophobicContact CG2-CG1 3.78Å; T713-V752 HydrophobicContact CG2-CG2 3.59Å; A718-V752 HydrophobicContact CB-CG1 4.48Å; Y748-V752 HydrophobicContact CD1-CG2 4.39Å; Y748-V752 HydrophobicContact CD2-CG2 4.34Å; Y748-V752 HydrophobicContact CE1-CG2 3.88Å; Y748-V752 HydrophobicContact CE2-CG2 3.82Å; Y748-V752 WeakPolarHBondContact O-CG2 3.24Å; Y748-V752 PolarHBondContact O-N 2.77Å; V752-V758 WeakPolarHBondContact O-CA 3.36Å; V752-L759 HydrophobicContact CB-CD1 3.78Å; V752-L759 HydrophobicContact CB-CG 4.17Å; V752-L759 HydrophobicContact CG1-CD1 3.77Å; V752-L759 HydrophobicContact CG1-CG 3.84Å; V752-L759 HydrophobicContact CG2-CD1 4.26Å; V752-L759 PolarHBondContact O-N 2.99Å
753	N	85.6	Confident	88.2	Confident	87 Å²	87	57.7 Å²	57.7	47%	0.465	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	110	-179.1	-177.7	-15.1	0	0	0	110	W751 G756 T757 V758	W751-N753 PolarHBondContact O-N 3.07Å; N753-G756 VanDerWaalsContact OD1-C 3.24Å; N753-G756 WeakPolarHBondContact OD1-CA 3.27Å; N753-G756 PolarHBondContact OD1-N 3.42Å; N753-T757 PolarHBondContact OD1-N 3.38Å; N753-V758 HydrophobicContact CB-CG1 4.1Å
754	E	84.1	Confident	88.6	Confident	41 Å²	41	54.7 Å²	54.7	19%	0.192	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	104.3	175.1	-170.1	177.7	-169.2	0	0	110.1	Q715 G716 A718 G756 T757	Q715-E754 VanDerWaalsContact CG-OE1 3.28Å; Q715-E754 WeakPolarHBondContact CG-OE1 3.43Å; G716-E754 WeakPolarHBondContact CA-OE2 3.15Å; G716-E754 VanDerWaalsContact N-CD 3.25Å; G716-E754 PolarHBondContact N-OE1 3.06Å; G716-E754 PolarHBondContact N-OE2 3.35Å; A718-E754 HydrophobicContact CB-CB 3.94Å; E754-G756 VanDerWaalsContact C-N 3.27Å; E754-G756 PolarHBondContact O-N 3.09Å; E754-T757 PolarHBondContact N-O 3.41Å; E754-T757 WeakPolarHBondContact O-CB 3.47Å; E754-T757 PolarHBondContact O-N 2.82Å; E754-T757 PolarHBondContact O-OG1 3.18Å
755	R	84	Confident	89	Confident	225 Å²	225	52.9 Å²	52.9	85%	0.849	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	55	36.4	175.3	-52.1	-179	-177.3	-158.1	-0.7	114.2
756	G	84.9	Confident	89.1	Confident	63 Å²	63	53.1 Å²	53.1	65%	0.649	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	93	-4.8	-175.7	0	0	0	0	0	114.3	N753 E754	N753-G756 VanDerWaalsContact OD1-C 3.24Å; N753-G756 WeakPolarHBondContact OD1-CA 3.27Å; N753-G756 PolarHBondContact OD1-N 3.42Å; E754-G756 VanDerWaalsContact C-N 3.27Å; E754-G756 PolarHBondContact O-N 3.09Å
757	T	88.6	Confident	88.8	Confident	36 Å²	36	51.8 Å²	51.8	22%	0.221	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	112.9	175.9	-46.4	0	0	0	0	110.4	A718 H722 N753 E754	A718-T757 WeakPolarHBondContact CB-O 3.46Å; H722-T757 HydrophobicContact CB-CG2 3.48Å; H722-T757 VanDerWaalsContact CB-CG2 3.48Å; N753-T757 PolarHBondContact OD1-N 3.38Å; E754-T757 PolarHBondContact N-O 3.41Å; E754-T757 WeakPolarHBondContact O-CB 3.47Å; E754-T757 PolarHBondContact O-N 2.82Å; E754-T757 PolarHBondContact O-OG1 3.18Å
758	V	92.2	Very high	88.1	Confident	63 Å²	63	51.6 Å²	51.6	38%	0.382	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	157.9	174.2	-64.2	0	0	0	0	112	V752 N753	V752-V758 WeakPolarHBondContact O-CA 3.36Å; N753-V758 HydrophobicContact CB-CG1 4.1Å
759	L	93.6	Very high	87.1	Confident	13 Å²	13	51.5 Å²	51.5	7%	0.068	26%	0.263	C	S	.	.	P	Polyproline II helix	trans	-60.8	145.5	167.1	-72.2	172.3	0	0	0	110.9	I695 A718 Y721 L749 V752	I695-L759 HydrophobicContact CD1-CD1 4.45Å; I695-L759 HydrophobicContact CG2-CD1 4.27Å; A718-L759 HydrophobicContact CB-CD2 4.24Å; A718-L759 HydrophobicContact CB-CG 4.46Å; Y721-L759 HydrophobicContact CD2-CD2 3.75Å; Y721-L759 HydrophobicContact CG-CD2 4.31Å; L749-L759 HydrophobicContact CB-CD1 4.49Å; L749-L759 HydrophobicContact CD2-CD1 3.76Å; V752-L759 HydrophobicContact CB-CD1 3.78Å; V752-L759 HydrophobicContact CB-CG 4.17Å; V752-L759 HydrophobicContact CG1-CD1 3.77Å; V752-L759 HydrophobicContact CG1-CG 3.84Å; V752-L759 HydrophobicContact CG2-CD1 4.26Å; V752-L759 PolarHBondContact O-N 2.99Å
760	P	95.1	Very high	85.7	Confident	13 Å²	13	51.6 Å²	51.6	8%	0.084	26%	0.264	C	S	.	.	P	Polyproline II helix	trans	-68.1	147.8	173.1	30	-34.7	0	0	0	111.1	F731 Y733	F731-P760 HydrophobicContact CB-CG 4.32Å; F731-P760 HydrophobicContact CD2-CB 4.18Å; F731-P760 HydrophobicContact CD2-CG 3.39Å; F731-P760 HydrophobicContact CE2-CG 3.8Å; F731-P760 HydrophobicContact CG-CG 3.8Å; Y733-P760 PolarHBondContact OH-O 3.45Å; Y733-P760 VanDerWaalsContact OH-O 3.1Å
761	Q	93.3	Very high	83.9	Confident	128 Å²	128	47.5 Å²	47.5	60%	0.598	25%	0.247	S	C	*	.	P	Polyproline II helix	trans	-67.7	143.5	174.5	-69.7	177.8	-18.2	0	0	111.3
762	G	95.6	Very high	81.7	Confident	5 Å²	5	47.1 Å²	47.1	5%	0.052	25%	0.25	C	C	.	.			trans	-174.6	153.7	178	0	0	0	0	0	111.4	Y678 F731	Y678-G762 VanDerWaalsContact OH-C 3.29Å; Y678-G762 PolarHBondContact OH-N 3.07Å; Y678-G762 PolarHBondContact OH-O 3.12Å; F731-G762 WeakPolarHBondContact O-CA 3.18Å
763	P	96.3	Very high	79.5	Confident	0 Å²	0	49.3 Å²	49.3	0%	0	27%	0.265	C	S	.	.			trans	-62.4	141.2	-178.8	21.2	-30.3	0	0	0	112.6	D32 I34 Y678 W680 F731 L732 Y733	D32-P763 HydrophobicContact CB-CB 3.77Å; I34-P763 HydrophobicContact CD1-CB 4.15Å; I34-P763 HydrophobicContact CD1-CG 3.61Å; I34-P763 HydrophobicContact CG1-CB 3.97Å; I34-P763 HydrophobicContact CG1-CG 3.77Å; Y678-P763 HydrophobicContact CD2-CB 3.58Å; Y678-P763 HydrophobicContact CD2-CG 3.94Å; Y678-P763 VanDerWaalsContact CE2-CA 3.43Å; Y678-P763 HydrophobicContact CE2-CB 3.75Å; Y678-P763 HydrophobicContact CE2-CG 4.31Å; Y678-P763 HydrophobicContact CG-CB 4.33Å; Y678-P763 HydrophobicContact CG-CG 4.2Å; W680-P763 HydrophobicContact CH2-CG 3.56Å; W680-P763 VanDerWaalsContact CZ2-CD 3.4Å; W680-P763 HydrophobicContact CZ2-CG 3.85Å; W680-P763 HydrophobicContact CZ3-CG 4.33Å; F731-P763 WeakPolarHBondContact O-CD 3.45Å; L732-P763 HydrophobicContact CD1-CB 4.4Å; L732-P763 HydrophobicContact CD1-CG 3.8Å; Y733-P763 PolarHBondContact N-O 3.49Å
764	V	94.1	Very high	77.3	Confident	4 Å²	4	46.8 Å²	46.8	2%	0.024	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	107.2	177.9	-173.9	0	0	0	0	110.6	I31 D32 I691 T745 R746 L749 L766	I31-V764 WeakPolarHBondContact CG2-O 3.49Å; D32-V764 PolarHBondContact OD2-N 3.45Å; I691-V764 HydrophobicContact CD1-CG1 4Å; T745-V764 HydrophobicContact CG2-CG1 4.09Å; R746-V764 HydrophobicContact CG-CB 4.41Å; R746-V764 HydrophobicContact CG-CG2 3.84Å; L749-V764 HydrophobicContact CD1-CG2 3.65Å; V764-L766 HydrophobicContact CG1-CD1 4.47Å; V764-L766 HydrophobicContact CG1-CD2 3.99Å; V764-L766 HydrophobicContact CG1-CG 4.09Å
765	L	91	Very high	75.3	Confident	11 Å²	11	51.5 Å²	51.5	6%	0.058	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	135.3	172.4	-57.9	-178.9	0	0	0	111.2	I31 L732 Y733 C734 S735 L792 I795	I31-L765 HydrophobicContact CG2-CD2 4.19Å; L732-L765 HydrophobicContact CD1-CD1 3.77Å; L732-L765 HydrophobicContact CD1-CG 3.84Å; L732-L765 HydrophobicContact CD2-CD1 4.09Å; L732-L765 HydrophobicContact CG-CD1 4.17Å; Y733-L765 PolarHBondContact O-N 3.3Å; C734-L765 CarbonylContact C-O 3.58Å; C734-L765 WeakPolarHBondContact CA-O 3.43Å; S735-L765 PolarHBondContact N-O 3.01Å; L765-L792 HydrophobicContact CD1-CD2 4.49Å; L765-I795 HydrophobicContact CD1-CG1 4.04Å
766	L	87.7	Confident	73.3	Confident	5 Å²	5	47.9 Å²	47.9	3%	0.026	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	170.5	-173.3	-62.4	169.3	0	0	0	110.9	I31 R737 A742 V764 P768	I31-L766 HydrophobicContact CD1-CB 4.06Å; I31-L766 WeakPolarHBondContact CD1-O 3.26Å; I31-L766 HydrophobicContact CG1-CB 4.18Å; R737-L766 HydrophobicContact CB-CD2 4.09Å; A742-L766 HydrophobicContact CB-CD1 3.58Å; V764-L766 HydrophobicContact CG1-CD1 4.47Å; V764-L766 HydrophobicContact CG1-CD2 3.99Å; V764-L766 HydrophobicContact CG1-CG 4.09Å; L766-P768 WeakPolarHBondContact O-CD 3.47Å
767	S	81.1	Confident	71.3	Confident	18 Å²	18	49.6 Å²	49.6	13%	0.126	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	121.6	167.3	-177.1	0	0	0	0	110.1	R737 A738 I739 S769	R737-S767 WeakPolarHBondContact O-CB 3.43Å; R737-S767 PolarHBondContact O-N 2.93Å; A738-S767 CarbonylContact C-O 3.58Å; I739-S767 PolarHBondContact N-O 3.44Å; S767-S769 PolarHBondContact O-N 3.22Å; S767-S769 VanDerWaalsContact O-N 3.17Å; S767-S769 PolarHBondContact OG-OG 2.82Å
768	P	71.1	Confident	69.1	Low	38 Å²	38	54.7 Å²	54.7	25%	0.247	28%	0.277	C	S	.	.	S	Bend	trans	-71.7	-5.2	178.4	29.9	-35.8	0	0	0	113.2	I31 H49 L766 F787	I31-P768 HydrophobicContact CD1-CB 4.12Å; H49-P768 HydrophobicContact CB-CB 4.42Å; L766-P768 WeakPolarHBondContact O-CD 3.47Å; P768-F787 HydrophobicContact CG-CE2 4.21Å; P768-F787 HydrophobicContact CG-CZ 4.12Å
769	S	65.9	Low	66.9	Low	21 Å²	21	57.3 Å²	57.3	15%	0.147	29%	0.293	C	S	.	.	S	Bend	trans	-73.5	139.8	172.1	70.4	0	0	0	0	111.5	A738 S767	A738-S769 VanDerWaalsContact CB-O 3.23Å; A738-S769 WeakPolarHBondContact CB-O 3.34Å; S767-S769 PolarHBondContact O-N 3.22Å; S767-S769 VanDerWaalsContact O-N 3.17Å; S767-S769 PolarHBondContact OG-OG 2.82Å
770	S	58	Low	64.6	Low	16 Å²	16	62.8 Å²	62.8	11%	0.112	32%	0.321	C	S	.	.			trans	-75.2	152.4	167.7	-80	0	0	0	0	110.8	R51 F772 S773 A774	R51-S770 WeakPolarHBondContact CD-OG 3.41Å; R51-S770 PolarHBondContact NE-OG 3.37Å; R51-S770 PolarHBondContact NH1-OG 3.37Å; S770-F772 VanDerWaalsContact C-N 3.27Å; S770-F772 PolarHBondContact O-N 2.93Å; S770-F772 VanDerWaalsContact O-N 3.14Å; S770-S773 PolarHBondContact N-OG 3.43Å; S770-S773 CarbonylContact O-C 3.58Å; S770-S773 WeakPolarHBondContact O-CA 3.48Å; S770-S773 PolarHBondContact O-N 2.66Å; S770-S773 PolarHBondContact O-OG 2.66Å; S770-A774 PolarHBondContact O-N 3.13Å
771	L	48.8	Very low	62.3	Low	57 Å²	57	65.2 Å²	65.2	30%	0.298	33%	0.331	S	S	.	.	H	α-helix	trans	-46.2	-46	177.1	-63.9	176.5	0	0	0	113.3	L27 A738 S773 A774 F775	L27-L771 HydrophobicContact CD1-CD1 3.85Å; L27-L771 HydrophobicContact CD1-CG 4.48Å; L27-L771 HydrophobicContact CD2-CD1 4.22Å; A738-L771 HydrophobicContact CB-CD2 3.53Å; A738-L771 HydrophobicContact CB-CG 3.89Å; L771-S773 PolarHBondContact O-N 3.44Å; L771-A774 WeakPolarHBondContact O-CB 3.37Å; L771-A774 PolarHBondContact O-N 3.32Å; L771-A774 VanDerWaalsContact O-N 3.17Å; L771-F775 WeakPolarHBondContact O-CD2 3.29Å; L771-F775 PolarHBondContact O-N 2.91Å; L771-F775 VanDerWaalsContact O-N 3.13Å
772	F	38.2	Very low	60.3	Low	141 Å²	141	68.5 Å²	68.5	62%	0.618	34%	0.343	S	S	*	.	H	α-helix	trans	-70.3	-29.3	178.7	-71.7	-74.8	0	0	0	115	P24 L27 S770	P24-F772 HydrophobicContact CB-CE2 3.7Å; P24-F772 HydrophobicContact CB-CZ 3.7Å; L27-F772 HydrophobicContact CD1-CE2 4.48Å; S770-F772 VanDerWaalsContact C-N 3.27Å; S770-F772 PolarHBondContact O-N 2.93Å; S770-F772 VanDerWaalsContact O-N 3.14Å
773	S	40.3	Very low	58.6	Low	51 Å²	51	73.6 Å²	73.6	36%	0.357	36%	0.364	S	S	.	.	H	α-helix	trans	-79.5	-24.7	169.6	46.7	0	0	0	0	112.4	S770 L771 H776 R777	S770-S773 PolarHBondContact N-OG 3.43Å; S770-S773 CarbonylContact O-C 3.58Å; S770-S773 WeakPolarHBondContact O-CA 3.48Å; S770-S773 PolarHBondContact O-N 2.66Å; S770-S773 PolarHBondContact O-OG 2.66Å; L771-S773 PolarHBondContact O-N 3.44Å; S773-H776 PolarHBondContact O-N 2.99Å; S773-R777 PolarHBondContact O-N 3.44Å
774	A	39.3	Very low	57	Low	33 Å²	33	77.2 Å²	77.2	27%	0.273	39%	0.388	S	S	.	.	H	α-helix	trans	-69.1	-39.9	176.6	0	0	0	0	0	111.3	S770 L771 H776 R777 E778	S770-A774 PolarHBondContact O-N 3.13Å; L771-A774 WeakPolarHBondContact O-CB 3.37Å; L771-A774 PolarHBondContact O-N 3.32Å; L771-A774 VanDerWaalsContact O-N 3.17Å; A774-H776 PolarHBondContact O-N 2.8Å; A774-R777 CarbonylContact O-C 3.58Å; A774-R777 WeakPolarHBondContact O-CA 3.42Å; A774-R777 PolarHBondContact O-N 2.82Å; A774-E778 PolarHBondContact O-N 3.17Å
775	F	42.2	Very low	55.8	Low	140 Å²	140	78.7 Å²	78.7	61%	0.614	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-28.6	172	-85.8	-72.7	0	0	0	113.8	L771 E778	L771-F775 WeakPolarHBondContact O-CD2 3.29Å; L771-F775 PolarHBondContact O-N 2.91Å; L771-F775 VanDerWaalsContact O-N 3.13Å; F775-E778 VanDerWaalsContact CD1-OE2 3.24Å; F775-E778 WeakPolarHBondContact CD1-OE2 3.26Å
776	H	41.4	Very low	55	Low	150 Å²	150	84.8 Å²	84.8	69%	0.694	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.9	-5	172.8	-142.5	-55.8	0	0	0	113.6	S773 A774	S773-H776 PolarHBondContact O-N 2.99Å; A774-H776 PolarHBondContact O-N 2.8Å
777	R	43.7	Very low	54.4	Low	99 Å²	99	86.8 Å²	86.8	37%	0.374	43%	0.429	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.7	-14.6	172.8	-174.6	170.6	172.7	139.8	-2.7	112.7	S773 A774 V779 I780 E781	S773-R777 PolarHBondContact O-N 3.44Å; A774-R777 CarbonylContact O-C 3.58Å; A774-R777 WeakPolarHBondContact O-CA 3.42Å; A774-R777 PolarHBondContact O-N 2.82Å; R777-V779 PolarHBondContact O-N 3.13Å; R777-I780 PolarHBondContact O-N 2.79Å; R777-E781 HydrophobicContact CG-CB 4.17Å; R777-E781 IonicContact CZ-OE1 3.72Å; R777-E781 IonicContact CZ-OE2 3.36Å; R777-E781 IonicContact NE-OE1 2.69Å; R777-E781 IonicContact NE-OE2 2.66Å; R777-E781 PolarHBondContact NE-OE2 3.25Å; R777-E781 IonicContact NH2-OE1 3.18Å; R777-E781 PolarHBondContact NH2-OE1 3.04Å; R777-E781 IonicContact NH2-OE2 2.77Å; R777-E781 PolarHBondContact NH2-OE2 3.1Å; R777-E781 PolarHBondContact O-N 2.83Å
778	E	43.2	Very low	54.6	Low	143 Å²	143	87.5 Å²	87.5	67%	0.668	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53	-30	168.1	-169	169.9	-143.2	0	0	111.8	A774 F775	A774-E778 PolarHBondContact O-N 3.17Å; F775-E778 VanDerWaalsContact CD1-OE2 3.24Å; F775-E778 WeakPolarHBondContact CD1-OE2 3.26Å
779	V	45.7	Very low	55.4	Low	117 Å²	117	86.9 Å²	86.9	71%	0.709	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.9	-15.7	176	-174.3	0	0	0	0	113.2	R777	R777-V779 PolarHBondContact O-N 3.13Å
780	I	43.8	Very low	56.3	Low	129 Å²	129	92.4 Å²	92.4	66%	0.662	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.1	-38.8	-170.4	-65.7	178.2	0	0	0	112.6	R777 K782	R777-I780 PolarHBondContact O-N 2.79Å; I780-K782 PolarHBondContact O-N 3.41Å
781	E	47.6	Very low	57.7	Low	63 Å²	63	93.1 Å²	93.1	29%	0.294	45%	0.454	S	S	.	.			trans	-97.9	68	-170.4	-164.5	151.8	-128.8	0	0	113.5	R777 K783	R777-E781 HydrophobicContact CG-CB 4.17Å; R777-E781 IonicContact CZ-OE1 3.72Å; R777-E781 IonicContact CZ-OE2 3.36Å; R777-E781 IonicContact NE-OE1 2.69Å; R777-E781 IonicContact NE-OE2 2.66Å; R777-E781 PolarHBondContact NE-OE2 3.25Å; R777-E781 IonicContact NH2-OE1 3.18Å; R777-E781 PolarHBondContact NH2-OE1 3.04Å; R777-E781 IonicContact NH2-OE2 2.77Å; R777-E781 PolarHBondContact NH2-OE2 3.1Å; R777-E781 PolarHBondContact O-N 2.83Å; E781-K783 PolarHBondContact O-N 3.03Å
782	K	52.2	Low	59.8	Low	197 Å²	197	90.6 Å²	90.6	86%	0.857	44%	0.44	S	S	*	.	S	Bend	trans	-62.2	9.2	172.5	-64.8	-174.1	176.6	-178.4	0	114.9	I780	I780-K782 PolarHBondContact O-N 3.41Å
783	K	58.4	Low	62.4	Low	113 Å²	113	86.1 Å²	86.1	49%	0.491	43%	0.425	S	S	.	.			trans	-153.6	73.2	-173	-73.1	-157.7	163.7	-154.9	0	112.4	E781 E785 K786	E781-K783 PolarHBondContact O-N 3.03Å; K783-E785 WeakPolarHBondContact CA-OE2 3.38Å; K783-E785 VanDerWaalsContact CB-OE1 3.28Å; K783-E785 WeakPolarHBondContact CB-OE1 3.37Å; K783-E785 VanDerWaalsContact CD-OE1 3.23Å; K783-E785 WeakPolarHBondContact CD-OE1 3.34Å; K783-E785 VanDerWaalsContact CG-OE1 3.24Å; K783-E785 WeakPolarHBondContact CG-OE1 3.25Å; K783-E785 PolarHBondContact O-N 3.24Å; K783-K786 HydrophobicContact CB-CD 4.24Å; K783-K786 HydrophobicContact CB-CG 4.13Å; K783-K786 WeakPolarHBondContact O-CB 3.44Å; K783-K786 PolarHBondContact O-N 2.98Å; K783-K786 VanDerWaalsContact O-N 3.13Å
784	P	62.8	Low	64.8	Low	76 Å²	76	86.3 Å²	86.3	49%	0.494	42%	0.421	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-21	-178.8	27	-36.1	0	0	0	114.1	K786 F787	P784-K786 PolarHBondContact O-N 2.87Å; P784-F787 PolarHBondContact O-N 3.25Å
785	E	70.4	Confident	67.4	Low	34 Å²	34	84.9 Å²	84.9	16%	0.159	41%	0.409	C	S	.	.	H	α-helix	trans	-60	-30.9	173.9	69.7	-78.9	-173.4	0	0	112.8	K783 F787 K788 V789 A815 Y818	K783-E785 WeakPolarHBondContact CA-OE2 3.38Å; K783-E785 VanDerWaalsContact CB-OE1 3.28Å; K783-E785 WeakPolarHBondContact CB-OE1 3.37Å; K783-E785 VanDerWaalsContact CD-OE1 3.23Å; K783-E785 WeakPolarHBondContact CD-OE1 3.34Å; K783-E785 VanDerWaalsContact CG-OE1 3.24Å; K783-E785 WeakPolarHBondContact CG-OE1 3.25Å; K783-E785 PolarHBondContact O-N 3.24Å; E785-F787 VanDerWaalsContact C-N 3.33Å; E785-F787 PolarHBondContact O-N 2.86Å; E785-K788 PolarHBondContact O-N 2.8Å; E785-V789 WeakPolarHBondContact O-CG2 3.48Å; E785-V789 PolarHBondContact O-N 2.85Å; E785-A815 HydrophobicContact CB-CB 4.19Å; E785-Y818 HydrophobicContact CB-CD1 4.09Å; E785-Y818 HydrophobicContact CG-CD1 3.89Å; E785-Y818 HydrophobicContact CG-CE1 4.05Å
786	K	72.8	Confident	70	Confident	140 Å²	140	80.3 Å²	80.3	61%	0.609	39%	0.389	S	S	*	.	H	α-helix	trans	-60.5	-42.4	178.1	-75.1	-171.6	170.2	-168.4	0	112.1	K783 P784 V789 Q790	K783-K786 HydrophobicContact CB-CD 4.24Å; K783-K786 HydrophobicContact CB-CG 4.13Å; K783-K786 WeakPolarHBondContact O-CB 3.44Å; K783-K786 PolarHBondContact O-N 2.98Å; K783-K786 VanDerWaalsContact O-N 3.13Å; P784-K786 PolarHBondContact O-N 2.87Å; K786-V789 PolarHBondContact O-N 3.41Å; K786-Q790 WeakPolarHBondContact O-CB 2.91Å; K786-Q790 PolarHBondContact O-N 2.91Å
787	F	75.8	Confident	72.5	Confident	47 Å²	47	77.7 Å²	77.7	21%	0.206	38%	0.38	C	S	.	.	H	α-helix	trans	-67.3	-43.7	179.5	179	-100.6	0	0	0	111.8	P768 P784 E785 Q790 C791	P768-F787 HydrophobicContact CG-CE2 4.21Å; P768-F787 HydrophobicContact CG-CZ 4.12Å; P784-F787 PolarHBondContact O-N 3.25Å; E785-F787 VanDerWaalsContact C-N 3.33Å; E785-F787 PolarHBondContact O-N 2.86Å; F787-Q790 PolarHBondContact O-N 3.24Å; F787-C791 HydrophobicContact CE1-CB 4.42Å; F787-C791 HydrophobicContact CZ-CB 4.31Å; F787-C791 WeakPolarHBondContact O-CB 3.13Å; F787-C791 PolarHBondContact O-N 2.68Å
788	K	84.7	Confident	74.9	Confident	32 Å²	32	73 Å²	73	14%	0.139	36%	0.362	C	S	.	.	H	α-helix	trans	-60.8	-45.6	175.3	-74.4	-169	176.3	-174.2	0	111.9	D690 E785 C791 L792 D816	D690-K788 IonicContact OD2-NZ 2.7Å; D690-K788 PolarHBondContact OD2-NZ 3.17Å; E785-K788 PolarHBondContact O-N 2.8Å; K788-C791 PolarHBondContact O-N 2.79Å; K788-L792 WeakPolarHBondContact O-CB 3.24Å; K788-L792 WeakPolarHBondContact O-CG 3.18Å; K788-L792 PolarHBondContact O-N 2.88Å; K788-D816 IonicContact NZ-OD1 2.83Å; K788-D816 PolarHBondContact NZ-OD1 3.48Å
789	V	87.8	Confident	77.4	Confident	25 Å²	25	66.1 Å²	66.1	15%	0.152	33%	0.33	C	S	.	.	H	α-helix	trans	-56.7	-50.5	174.8	168.2	0	0	0	0	110.9	E785 K786 T793 Y818 Q822	E785-V789 WeakPolarHBondContact O-CG2 3.48Å; E785-V789 PolarHBondContact O-N 2.85Å; K786-V789 PolarHBondContact O-N 3.41Å; V789-T793 VanDerWaalsContact O-CB 3.27Å; V789-T793 WeakPolarHBondContact O-CB 3.43Å; V789-T793 PolarHBondContact O-N 3.23Å; V789-T793 PolarHBondContact O-OG1 3.35Å; V789-Y818 HydrophobicContact CG2-CD1 4.45Å; V789-Y818 HydrophobicContact CG2-CE1 4.26Å; V789-Q822 HydrophobicContact CG1-CB 4.36Å; V789-Q822 HydrophobicContact CG1-CG 3.75Å; V789-Q822 HydrophobicContact CG2-CB 4.02Å; V789-Q822 HydrophobicContact CG2-CG 4.18Å
790	Q	85.6	Confident	79.4	Confident	137 Å²	137	68.2 Å²	68.2	64%	0.64	33%	0.327	S	S	*	.	H	α-helix	trans	-61.8	-47.8	-178.5	-173.8	177.7	5.8	0	0	111.6	K786 F787 T793 D794	K786-Q790 WeakPolarHBondContact O-CB 2.91Å; K786-Q790 PolarHBondContact O-N 2.91Å; F787-Q790 PolarHBondContact O-N 3.24Å; Q790-T793 PolarHBondContact O-N 3.14Å; Q790-D794 WeakPolarHBondContact O-CB 3.45Å; Q790-D794 PolarHBondContact O-N 3.45Å
791	C	87.4	Confident	81.5	Confident	32 Å²	32	64.9 Å²	64.9	22%	0.216	31%	0.314	C	S	.	.	H	α-helix	trans	-63.8	-46.2	-178.9	-173.4	0	0	0	0	112.2	F787 K788 T793 D794 I795	F787-C791 HydrophobicContact CE1-CB 4.42Å; F787-C791 HydrophobicContact CZ-CB 4.31Å; F787-C791 WeakPolarHBondContact O-CB 3.13Å; F787-C791 PolarHBondContact O-N 2.68Å; K788-C791 PolarHBondContact O-N 2.79Å; C791-T793 VanDerWaalsContact C-N 3.34Å; C791-T793 PolarHBondContact O-N 3.13Å; C791-D794 PolarHBondContact O-N 3.34Å; C791-I795 WeakPolarHBondContact O-CG1 3.36Å; C791-I795 PolarHBondContact O-N 3.31Å; C791-I795 VanDerWaalsContact O-N 3.08Å
792	L	92	Very high	83.5	Confident	4 Å²	4	63 Å²	63	2%	0.021	31%	0.305	C	S	.	.	H	α-helix	trans	-68.9	-31.6	177.6	-68.6	171.6	0	0	0	112.5	I688 L732 L765 K788 K796 F806 Y820 V823	I688-L792 HydrophobicContact CD1-CD1 4.21Å; I688-L792 HydrophobicContact CD1-CD2 4.02Å; I688-L792 HydrophobicContact CG2-CD2 4.33Å; L732-L792 HydrophobicContact CD2-CD2 3.97Å; L765-L792 HydrophobicContact CD1-CD2 4.49Å; K788-L792 WeakPolarHBondContact O-CB 3.24Å; K788-L792 WeakPolarHBondContact O-CG 3.18Å; K788-L792 PolarHBondContact O-N 2.88Å; L792-K796 WeakPolarHBondContact O-CB 3.49Å; L792-K796 PolarHBondContact O-N 2.87Å; L792-F806 HydrophobicContact CB-CE2 4.31Å; L792-F806 HydrophobicContact CB-CZ 4.45Å; L792-F806 HydrophobicContact CD2-CZ 4.2Å; L792-F806 WeakPolarHBondContact O-CE2 3.46Å; L792-F806 WeakPolarHBondContact O-CZ 3.26Å; L792-Y820 HydrophobicContact CD1-CD1 3.9Å; L792-Y820 HydrophobicContact CD1-CE1 3.92Å; L792-V823 HydrophobicContact CB-CG1 3.72Å; L792-V823 HydrophobicContact CB-CG2 4.32Å
793	T	92.7	Very high	85.2	Confident	47 Å²	47	58.2 Å²	58.2	29%	0.288	29%	0.293	S	S	.	.	H	α-helix	trans	-67.5	-40.3	172.7	-55.5	0	0	0	0	111.3	V789 Q790 C791 I795 K796 N797	V789-T793 VanDerWaalsContact O-CB 3.27Å; V789-T793 WeakPolarHBondContact O-CB 3.43Å; V789-T793 PolarHBondContact O-N 3.23Å; V789-T793 PolarHBondContact O-OG1 3.35Å; Q790-T793 PolarHBondContact O-N 3.14Å; C791-T793 VanDerWaalsContact C-N 3.34Å; C791-T793 PolarHBondContact O-N 3.13Å; T793-I795 VanDerWaalsContact C-N 3.35Å; T793-I795 PolarHBondContact O-N 3.46Å; T793-K796 WeakPolarHBondContact O-CB 3.2Å; T793-K796 PolarHBondContact O-N 3.34Å; T793-N797 PolarHBondContact O-N 3.47Å; T793-N797 PolarHBondContact O-ND2 3.39Å; T793-N797 PolarHBondContact O-OD1 2.95Å
794	D	91.8	Very high	86.7	Confident	54 Å²	54	58.7 Å²	58.7	29%	0.289	30%	0.297	S	S	.	.	H	α-helix	trans	-63.9	-39.7	177.2	-167.1	41.5	0	0	0	112	P47 R641 Q790 C791	P47-D794 WeakPolarHBondContact CD-OD2 3.28Å; R641-D794 IonicContact CZ-OD1 3.27Å; R641-D794 IonicContact CZ-OD2 2.7Å; R641-D794 IonicContact NH2-OD1 3.34Å; R641-D794 PolarHBondContact NH2-OD1 2.9Å; R641-D794 IonicContact NH2-OD2 2.64Å; R641-D794 PolarHBondContact NH2-OD2 3.01Å; Q790-D794 WeakPolarHBondContact O-CB 3.45Å; Q790-D794 PolarHBondContact O-N 3.45Å; C791-D794 PolarHBondContact O-N 3.34Å
795	I	94.6	Very high	88.3	Confident	3 Å²	3	55.1 Å²	55.1	2%	0.015	27%	0.274	C	S	.	.	H	α-helix	trans	-67	-42.9	171	-64.2	-51.4	0	0	0	111.9	I34 L732 L765 C791 T793 N797 L798 F799 F806	I34-I795 HydrophobicContact CD1-CD1 4Å; I34-I795 HydrophobicContact CD1-CG1 4.39Å; I34-I795 HydrophobicContact CD1-CG2 4.05Å; I34-I795 HydrophobicContact CG1-CD1 4.37Å; L732-I795 HydrophobicContact CD2-CG2 4.23Å; L765-I795 HydrophobicContact CD1-CG1 4.04Å; C791-I795 WeakPolarHBondContact O-CG1 3.36Å; C791-I795 PolarHBondContact O-N 3.31Å; C791-I795 VanDerWaalsContact O-N 3.08Å; T793-I795 VanDerWaalsContact C-N 3.35Å; T793-I795 PolarHBondContact O-N 3.46Å; I795-N797 VanDerWaalsContact C-N 3.26Å; I795-N797 PolarHBondContact O-N 3Å; I795-L798 HydrophobicContact CD1-CD1 3.88Å; I795-L798 WeakPolarHBondContact O-CB 3.35Å; I795-L798 PolarHBondContact O-N 3.24Å; I795-L798 VanDerWaalsContact O-N 3.12Å; I795-F799 HydrophobicContact CG2-CE2 4Å; I795-F799 VanDerWaalsContact O-CD2 3.3Å; I795-F799 WeakPolarHBondContact O-CD2 3.28Å; I795-F806 HydrophobicContact CB-CZ 4.28Å; I795-F806 HydrophobicContact CG2-CE1 4.2Å; I795-F806 HydrophobicContact CG2-CZ 3.98Å
796	K	94.9	Very high	89.5	Confident	44 Å²	44	54 Å²	54	19%	0.191	27%	0.268	C	S	.	.	H	α-helix	trans	-53.7	-44.2	177.2	176.2	175	-179.7	156.5	0	111.9	L792 T793 L798 F799 T803 P805 F806 V823	L792-K796 WeakPolarHBondContact O-CB 3.49Å; L792-K796 PolarHBondContact O-N 2.87Å; T793-K796 WeakPolarHBondContact O-CB 3.2Å; T793-K796 PolarHBondContact O-N 3.34Å; K796-L798 PolarHBondContact O-N 2.88Å; K796-F799 PolarHBondContact O-N 3.02Å; K796-F799 VanDerWaalsContact O-N 3.13Å; K796-T803 WeakPolarHBondContact CE-O 3.44Å; K796-T803 PolarHBondContact NZ-O 3.14Å; K796-P805 HydrophobicContact CG-CG 4.16Å; K796-F806 HydrophobicContact CB-CE2 3.83Å; K796-F806 HydrophobicContact CB-CZ 4.4Å; K796-V823 WeakPolarHBondContact CD-O 3.33Å; K796-V823 PolarHBondContact NZ-O 3.46Å
797	N	94.3	Very high	90.7	Very high	95 Å²	95	49.3 Å²	49.3	51%	0.508	25%	0.247	S	C	.	.	H	α-helix	trans	-64.3	-22.3	-177	-66.8	-16.5	0	0	0	113.4	T793 I795 F799	T793-N797 PolarHBondContact O-N 3.47Å; T793-N797 PolarHBondContact O-ND2 3.39Å; T793-N797 PolarHBondContact O-OD1 2.95Å; I795-N797 VanDerWaalsContact C-N 3.26Å; I795-N797 PolarHBondContact O-N 3Å; N797-F799 PolarHBondContact O-N 2.63Å
798	L	94.6	Very high	91.7	Very high	0 Å²	0	47 Å²	47	0%	0	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-21.6	175.5	-55.3	176.5	0	0	0	113.2	I34 V36 Q38 Q44 I795 K796	I34-L798 HydrophobicContact CB-CD1 4.43Å; V36-L798 HydrophobicContact CB-CB 4.09Å; V36-L798 WeakPolarHBondContact CB-O 3.32Å; V36-L798 WeakPolarHBondContact CG1-O 3.11Å; V36-L798 HydrophobicContact CG2-CB 3.66Å; V36-L798 HydrophobicContact CG2-CD1 4.38Å; Q38-L798 PolarHBondContact NE2-O 3.47Å; Q44-L798 HydrophobicContact CB-CD2 3.91Å; I795-L798 HydrophobicContact CD1-CD1 3.88Å; I795-L798 WeakPolarHBondContact O-CB 3.35Å; I795-L798 PolarHBondContact O-N 3.24Å; I795-L798 VanDerWaalsContact O-N 3.12Å; K796-L798 PolarHBondContact O-N 2.88Å
799	F	94.9	Very high	92.3	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.5	6.3	-175.5	-66.8	-95.9	0	0	0	114.3	V36 W680 V686 I795 K796 N797 N802 P805	V36-F799 HydrophobicContact CG1-CD1 4.01Å; V36-F799 HydrophobicContact CG1-CE1 4.33Å; V36-F799 HydrophobicContact CG1-CG 4.36Å; V36-F799 HydrophobicContact CG2-CD1 4.42Å; V36-F799 HydrophobicContact CG2-CD2 4.39Å; V36-F799 HydrophobicContact CG2-CE1 4.17Å; V36-F799 HydrophobicContact CG2-CE2 4.14Å; V36-F799 HydrophobicContact CG2-CZ 4.03Å; W680-F799 HydrophobicContact CE3-CE1 4.43Å; W680-F799 AromaticContact CE3-CZ 3.86Å; W680-F799 HydrophobicContact CE3-CZ 3.86Å; W680-F799 HydrophobicContact CZ3-CZ 4.25Å; V686-F799 HydrophobicContact CG2-CE1 4.08Å; V686-F799 HydrophobicContact CG2-CZ 3.71Å; I795-F799 HydrophobicContact CG2-CE2 4Å; I795-F799 VanDerWaalsContact O-CD2 3.3Å; I795-F799 WeakPolarHBondContact O-CD2 3.28Å; K796-F799 PolarHBondContact O-N 3.02Å; K796-F799 VanDerWaalsContact O-N 3.13Å; N797-F799 PolarHBondContact O-N 2.63Å; F799-N802 HydrophobicContact CB-CB 4.49Å; F799-N802 WeakPolarHBondContact O-CA 3.4Å; F799-N802 VanDerWaalsContact O-CB 3.3Å; F799-N802 WeakPolarHBondContact O-CB 3.39Å; F799-N802 PolarHBondContact O-N 2.83Å; F799-P805 HydrophobicContact CB-CB 3.75Å; F799-P805 HydrophobicContact CB-CG 3.92Å; F799-P805 HydrophobicContact CD1-CB 3.73Å; F799-P805 HydrophobicContact CD2-CB 3.66Å; F799-P805 HydrophobicContact CD2-CG 3.77Å; F799-P805 HydrophobicContact CE1-CB 4.2Å; F799-P805 HydrophobicContact CE2-CB 4.15Å; F799-P805 HydrophobicContact CE2-CG 4.44Å; F799-P805 HydrophobicContact CG-CB 3.43Å; F799-P805 VanDerWaalsContact CG-CB 3.43Å; F799-P805 HydrophobicContact CG-CG 3.88Å; F799-P805 HydrophobicContact CZ-CB 4.39Å
800	Y	88.7	Confident	92.7	Very high	160 Å²	160	44.3 Å²	44.3	63%	0.627	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-49.8	134.3	177.7	-169.9	-92.3	0	0	0	111.5	Q38	Q38-Y800 PolarHBondContact OE1-O 3.01Å
801	P	87.9	Confident	93.1	Very high	60 Å²	60	37.9 Å²	37.9	39%	0.39	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	cis	-84.8	0.3	9.6	35.4	-38.1	0	0	0	115.8	P39 W682 T803	P39-P801 VanDerWaalsContact CG-CD 3.45Å; P39-P801 HydrophobicContact CG-CG 4.05Å; W682-P801 HydrophobicContact CE3-CG 4.07Å; W682-P801 HydrophobicContact CZ3-CG 4.07Å; P801-T803 PolarHBondContact O-N 3.07Å; P801-T803 VanDerWaalsContact O-N 3.16Å
802	N	90.1	Very high	93.3	Very high	23 Å²	23	37.6 Å²	37.6	12%	0.123	19%	0.19	C	C	.	.			trans	-72.3	107.4	178.1	167.8	21.3	0	0	0	110.5	W682 K685 F799 E804	W682-N802 HydrophobicContact CE3-CB 3.77Å; W682-N802 HydrophobicContact CZ3-CB 4.12Å; W682-N802 WeakPolarHBondContact O-CB 3.23Å; W682-N802 PolarHBondContact O-ND2 2.86Å; K685-N802 PolarHBondContact NZ-ND2 3.26Å; K685-N802 VanDerWaalsContact NZ-ND2 3.16Å; F799-N802 HydrophobicContact CB-CB 4.49Å; F799-N802 WeakPolarHBondContact O-CA 3.4Å; F799-N802 VanDerWaalsContact O-CB 3.3Å; F799-N802 WeakPolarHBondContact O-CB 3.39Å; F799-N802 PolarHBondContact O-N 2.83Å; N802-E804 VanDerWaalsContact C-N 3.33Å; N802-E804 PolarHBondContact OD1-N 2.86Å; N802-E804 PolarHBondContact OD1-O 2.76Å
803	T	86.7	Confident	93.2	Very high	96 Å²	96	43.2 Å²	43.2	59%	0.589	21%	0.211	S	C	*	.	S	Bend	trans	-81.5	-5.5	-179.2	51.3	0	0	0	0	114.3	K796 P801	K796-T803 WeakPolarHBondContact CE-O 3.44Å; K796-T803 PolarHBondContact NZ-O 3.14Å; P801-T803 PolarHBondContact O-N 3.07Å; P801-T803 VanDerWaalsContact O-N 3.16Å
804	E	91.3	Very high	93	Very high	124 Å²	124	46.3 Å²	46.3	58%	0.579	23%	0.232	S	C	*	.			trans	-136	63.5	-179.9	-62.9	-169.3	159.7	0	0	111.8	N802 F806	N802-E804 VanDerWaalsContact C-N 3.33Å; N802-E804 PolarHBondContact OD1-N 2.86Å; N802-E804 PolarHBondContact OD1-O 2.76Å; E804-F806 VanDerWaalsContact C-N 3.34Å
805	P	94.9	Very high	92.8	Very high	1 Å²	1	45.1 Å²	45.1	1%	0.006	23%	0.229	C	C	.	.			trans	-71.3	-28.9	177.2	30.4	-35.9	0	0	0	113	V686 K796 F799 Y807	V686-P805 PolarHBondContact N-O 3.06Å; K796-P805 HydrophobicContact CG-CG 4.16Å; F799-P805 HydrophobicContact CB-CB 3.75Å; F799-P805 HydrophobicContact CB-CG 3.92Å; F799-P805 HydrophobicContact CD1-CB 3.73Å; F799-P805 HydrophobicContact CD2-CB 3.66Å; F799-P805 HydrophobicContact CD2-CG 3.77Å; F799-P805 HydrophobicContact CE1-CB 4.2Å; F799-P805 HydrophobicContact CE2-CB 4.15Å; F799-P805 HydrophobicContact CE2-CG 4.44Å; F799-P805 HydrophobicContact CG-CB 3.43Å; F799-P805 VanDerWaalsContact CG-CB 3.43Å; F799-P805 HydrophobicContact CG-CG 3.88Å; F799-P805 HydrophobicContact CZ-CB 4.39Å; P805-Y807 PolarHBondContact O-N 2.88Å
806	F	97	Very high	92.6	Very high	9 Å²	9	45.1 Å²	45.1	4%	0.039	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	106.7	-178.9	-57.6	-50	0	0	0	111.2	V686 I688 L732 L792 I795 K796 E804 V823 V825	V686-F806 HydrophobicContact CB-CD1 3.98Å; V686-F806 HydrophobicContact CB-CE1 4.45Å; V686-F806 HydrophobicContact CG1-CD1 3.98Å; V686-F806 HydrophobicContact CG1-CE1 4.16Å; V686-F806 CarbonylContact O-C 3.57Å; V686-F806 WeakPolarHBondContact O-CA 3.35Å; I688-F806 HydrophobicContact CD1-CB 4.15Å; I688-F806 HydrophobicContact CD1-CD1 3.77Å; I688-F806 HydrophobicContact CD1-CD2 4.08Å; I688-F806 HydrophobicContact CD1-CE1 4.13Å; I688-F806 HydrophobicContact CD1-CE2 4.38Å; I688-F806 HydrophobicContact CD1-CG 3.76Å; I688-F806 HydrophobicContact CD1-CZ 4.41Å; I688-F806 HydrophobicContact CG1-CD1 3.77Å; I688-F806 HydrophobicContact CG1-CE1 4.16Å; I688-F806 HydrophobicContact CG1-CG 4.22Å; L732-F806 HydrophobicContact CD2-CE1 3.76Å; L732-F806 HydrophobicContact CD2-CZ 4.34Å; L792-F806 HydrophobicContact CB-CE2 4.31Å; L792-F806 HydrophobicContact CB-CZ 4.45Å; L792-F806 HydrophobicContact CD2-CZ 4.2Å; L792-F806 WeakPolarHBondContact O-CE2 3.46Å; L792-F806 WeakPolarHBondContact O-CZ 3.26Å; I795-F806 HydrophobicContact CB-CZ 4.28Å; I795-F806 HydrophobicContact CG2-CE1 4.2Å; I795-F806 HydrophobicContact CG2-CZ 3.98Å; K796-F806 HydrophobicContact CB-CE2 3.83Å; K796-F806 HydrophobicContact CB-CZ 4.4Å; E804-F806 VanDerWaalsContact C-N 3.34Å; F806-V823 HydrophobicContact CD2-CB 4.1Å; F806-V823 HydrophobicContact CD2-CG2 3.65Å; F806-V823 HydrophobicContact CE2-CB 4.08Å; F806-V823 HydrophobicContact CE2-CG2 3.87Å; F806-V825 HydrophobicContact CB-CG2 3.67Å
807	Y	96.3	Very high	92.5	Very high	42 Å²	42	43.6 Å²	43.6	17%	0.165	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	-43.3	-177.6	-171.6	-103.3	0	0	0	112.8	V686 Y729 P805 R829 I861 F862 P863	V686-Y807 PolarHBondContact O-N 3.21Å; Y729-Y807 HydrophobicContact CD1-CD1 4.01Å; Y729-Y807 HydrophobicContact CD1-CG 4.12Å; Y729-Y807 AromaticContact CE1-CD1 3.32Å; Y729-Y807 HydrophobicContact CE1-CD1 3.32Å; Y729-Y807 AromaticContact CE1-CD2 3.84Å; Y729-Y807 HydrophobicContact CE1-CD2 3.84Å; Y729-Y807 AromaticContact CE1-CE1 3.61Å; Y729-Y807 HydrophobicContact CE1-CE1 3.61Å; Y729-Y807 HydrophobicContact CE1-CE2 4.09Å; Y729-Y807 AromaticContact CE1-CG 3.44Å; Y729-Y807 HydrophobicContact CE1-CG 3.44Å; Y729-Y807 VanDerWaalsContact CE1-CG 3.44Å; Y729-Y807 AromaticContact CE1-CZ 3.98Å; Y729-Y807 AromaticContact CZ-CD1 3.87Å; Y729-Y807 AromaticContact CZ-CE1 3.64Å; Y729-Y807 AromaticContact CZ-CZ 3.89Å; Y729-Y807 VanDerWaalsContact OH-CE1 3.29Å; Y729-Y807 WeakPolarHBondContact OH-CE1 3.38Å; Y729-Y807 PolarHBondContact OH-OH 3.49Å; P805-Y807 PolarHBondContact O-N 2.88Å; Y807-R829 WeakPolarHBondContact O-CB 3.27Å; Y807-R829 WeakPolarHBondContact O-CD 3.27Å; Y807-R829 VanDerWaalsContact OH-CZ 3.24Å; Y807-R829 PolarHBondContact OH-NH1 3.02Å; Y807-R829 VanDerWaalsContact OH-NH1 3.08Å; Y807-R829 PolarHBondContact OH-NH2 3.24Å; Y807-I861 WeakPolarHBondContact CE1-O 3.39Å; Y807-I861 PolarHBondContact OH-O 3.11Å; Y807-I861 VanDerWaalsContact OH-O 3.12Å; Y807-F862 AromaticContact CD1-CD1 3.85Å; Y807-F862 HydrophobicContact CD1-CD1 3.85Å; Y807-F862 HydrophobicContact CD1-CE1 4.02Å; Y807-F862 AromaticContact CE1-CD1 3.81Å; Y807-F862 HydrophobicContact CE1-CD1 3.81Å; Y807-F862 HydrophobicContact CE1-CE1 4.28Å; Y807-F862 HydrophobicContact CE1-CG 4.43Å; Y807-P863 WeakPolarHBondContact OH-CD 3.29Å
808	A	96.9	Very high	92.4	Very high	0 Å²	0	45 Å²	45	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	162.8	-177.4	0	0	0	0	0	110.7	V687 I688 R829 F862	V687-A808 WeakPolarHBondContact CA-O 3.43Å; V687-A808 HydrophobicContact CG1-CB 4.36Å; V687-A808 HydrophobicContact CG2-CB 4.39Å; I688-A808 PolarHBondContact N-O 3.15Å; A808-R829 VanDerWaalsContact CA-O 3.29Å; A808-R829 WeakPolarHBondContact CA-O 3.38Å; A808-R829 HydrophobicContact CB-CB 4.05Å; A808-R829 WeakPolarHBondContact CB-O 3.48Å; A808-F862 HydrophobicContact CB-CE1 3.58Å; A808-F862 HydrophobicContact CB-CZ 3.79Å
809	A	97.1	Very high	92.3	Very high	0 Å²	0	45 Å²	45	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	141.1	176.7	0	0	0	0	0	112.8	I688 Y820 V825 R829 I830 F831	I688-A809 HydrophobicContact CB-CB 4.02Å; I688-A809 HydrophobicContact CD1-CB 4.41Å; I688-A809 CarbonylContact O-C 3.01Å; I688-A809 VanDerWaalsContact O-CA 3.31Å; I688-A809 WeakPolarHBondContact O-CA 3.38Å; A809-Y820 HydrophobicContact CB-CD1 3.76Å; A809-Y820 HydrophobicContact CB-CD2 3.36Å; A809-Y820 HydrophobicContact CB-CE1 4.14Å; A809-Y820 HydrophobicContact CB-CE2 3.75Å; A809-Y820 HydrophobicContact CB-CG 3.37Å; A809-V825 HydrophobicContact CB-CG1 4.17Å; A809-V825 HydrophobicContact CB-CG2 4.32Å; A809-R829 PolarHBondContact N-O 3.04Å; A809-I830 WeakPolarHBondContact O-CA 3.39Å; A809-F831 PolarHBondContact O-N 3.48Å
810	F	96.7	Very high	92.3	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	129.5	173.9	-64.7	-91.5	0	0	0	109.8	V687 I688 S689 D690 T694 L720 Y721 Y820 F831 Y851 L854 F862	V687-F810 HydrophobicContact CG1-CD2 3.92Å; V687-F810 HydrophobicContact CG1-CE2 3.75Å; I688-F810 PolarHBondContact O-N 2.91Å; S689-F810 WeakPolarHBondContact CA-O 3.44Å; D690-F810 PolarHBondContact N-O 3.17Å; T694-F810 HydrophobicContact CG2-CB 3.86Å; L720-F810 HydrophobicContact CD2-CE1 4.13Å; L720-F810 HydrophobicContact CD2-CZ 3.97Å; Y721-F810 HydrophobicContact CE1-CD1 4.42Å; Y721-F810 AromaticContact CE1-CD2 3.93Å; Y721-F810 HydrophobicContact CE1-CD2 3.93Å; Y721-F810 HydrophobicContact CE1-CE1 4.41Å; Y721-F810 AromaticContact CE1-CE2 3.91Å; Y721-F810 HydrophobicContact CE1-CE2 3.91Å; Y721-F810 HydrophobicContact CE1-CG 4.2Å; Y721-F810 HydrophobicContact CE1-CZ 4.17Å; Y721-F810 VanDerWaalsContact OH-CB 3.28Å; Y721-F810 WeakPolarHBondContact OH-CB 3.49Å; Y721-F810 VanDerWaalsContact OH-CG 3.3Å; Y721-F810 WeakPolarHBondContact OH-CG 3.34Å; F810-Y820 PolarHBondContact O-OH 3.15Å; F810-F831 WeakPolarHBondContact CA-O 3.49Å; F810-F831 HydrophobicContact CD1-CB 3.69Å; F810-F831 HydrophobicContact CD1-CD2 4.14Å; F810-F831 HydrophobicContact CD1-CG 4.23Å; F810-F831 HydrophobicContact CE1-CB 3.83Å; F810-F831 AromaticContact CE1-CD2 3.65Å; F810-F831 HydrophobicContact CE1-CD2 3.65Å; F810-F831 HydrophobicContact CE1-CE2 4.46Å; F810-F831 AromaticContact CE1-CG 3.87Å; F810-F831 HydrophobicContact CE1-CG 3.87Å; F810-F831 HydrophobicContact CE2-CD2 4.4Å; F810-F831 AromaticContact CZ-CD2 3.79Å; F810-F831 HydrophobicContact CZ-CD2 3.79Å; F810-F831 HydrophobicContact CZ-CE2 4.27Å; F810-F831 HydrophobicContact CZ-CG 4.46Å; F810-Y851 AromaticContact CD1-CE1 3.93Å; F810-Y851 HydrophobicContact CD1-CE1 3.93Å; F810-Y851 HydrophobicContact CE1-CE1 4.13Å; F810-L854 HydrophobicContact CE1-CD2 3.76Å; F810-L854 HydrophobicContact CZ-CD2 4.02Å; F810-F862 HydrophobicContact CE2-CZ 4.07Å; F810-F862 HydrophobicContact CZ-CE2 4.44Å; F810-F862 HydrophobicContact CZ-CZ 4.03Å
811	G	94.4	Very high	92.6	Very high	1 Å²	1	43.6 Å²	43.6	1%	0.01	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	-177.4	178.5	0	0	0	0	0	112.2	T694 F831 T832 V833	T694-G811 WeakPolarHBondContact OG1-CA 3.45Å; T694-G811 PolarHBondContact OG1-O 3.4Å; G811-F831 PolarHBondContact N-O 3.34Å; G811-T832 CarbonylContact O-C 3.33Å; G811-T832 VanDerWaalsContact O-CA 3.27Å; G811-T832 WeakPolarHBondContact O-CA 3.49Å; G811-V833 PolarHBondContact O-N 2.84Å
812	N	91.4	Very high	92.9	Very high	26 Å²	26	46.1 Å²	46.1	14%	0.139	23%	0.227	C	C	.	.	S	Bend	trans	-132.2	-14.6	-177.1	50.8	-64.3	0	0	0	113.6	D692 G693 T694 D699 D816 V833	D692-N812 PolarHBondContact O-ND2 3.33Å; D692-N812 PolarHBondContact O-OD1 3.38Å; G693-N812 VanDerWaalsContact C-CG 3.46Å; G693-N812 WeakPolarHBondContact CA-ND2 3.33Å; G693-N812 VanDerWaalsContact O-CB 3.29Å; G693-N812 WeakPolarHBondContact O-CB 3.28Å; T694-N812 PolarHBondContact OG1-N 3.41Å; T694-N812 PolarHBondContact OG1-OD1 3.25Å; D699-N812 PolarHBondContact OD1-ND2 2.99Å; D699-N812 PolarHBondContact OD2-ND2 3.15Å; N812-D816 PolarHBondContact N-OD2 3.32Å; N812-D816 VanDerWaalsContact N-OD2 3.1Å; N812-V833 HydrophobicContact CB-CG1 4.26Å
813	R	89.3	Confident	93	Very high	122 Å²	122	45.2 Å²	45.2	46%	0.46	22%	0.222	S	C	.	.	S	Bend	trans	-116.2	148.4	-179	-55.6	177.9	172.4	-164.4	-0.7	111.3	D699 A815 D816 V817	D699-R813 IonicContact OD2-CZ 2.89Å; D699-R813 IonicContact OD2-NE 2.7Å; D699-R813 PolarHBondContact OD2-NE 2.84Å; D699-R813 IonicContact OD2-NH2 3.58Å; D699-R813 PolarHBondContact OD2-NH2 3.45Å; R813-A815 HydrophobicContact CB-CB 4.35Å; R813-A815 PolarHBondContact O-N 3.02Å; R813-A815 VanDerWaalsContact O-N 3.13Å; R813-D816 WeakPolarHBondContact CA-OD2 3.4Å; R813-D816 WeakPolarHBondContact CB-OD2 3.5Å; R813-D816 PolarHBondContact N-OD2 3.47Å; R813-D816 WeakPolarHBondContact O-CB 3.5Å; R813-D816 PolarHBondContact O-N 2.66Å; R813-V817 PolarHBondContact O-N 3.02Å
814	P	89.5	Confident	93.3	Very high	113 Å²	113	42 Å²	42	73%	0.734	21%	0.208	S	C	*	.	H	α-helix	trans	-56.8	-26.8	170	-25.9	35.3	0	0	0	114	D816 V817 Y818	P814-D816 VanDerWaalsContact C-N 3.27Å; P814-D816 PolarHBondContact O-N 2.83Å; P814-V817 PolarHBondContact O-N 3.37Å; P814-Y818 PolarHBondContact O-N 3.06Å
815	A	87.8	Confident	93.5	Very high	29 Å²	29	36.3 Å²	36.3	24%	0.24	18%	0.182	C	C	.	.	H	α-helix	trans	-61.7	-33.2	172.2	0	0	0	0	0	113	E785 R813 S819	E785-A815 HydrophobicContact CB-CB 4.19Å; R813-A815 HydrophobicContact CB-CB 4.35Å; R813-A815 PolarHBondContact O-N 3.02Å; R813-A815 VanDerWaalsContact O-N 3.13Å; A815-S819 WeakPolarHBondContact O-CB 3.26Å; A815-S819 PolarHBondContact O-N 3.49Å; A815-S819 PolarHBondContact O-OG 3.33Å
816	D	91	Very high	93.5	Very high	2 Å²	2	39 Å²	39	1%	0.011	20%	0.201	C	C	.	.	H	α-helix	trans	-75	-46	179.2	-44.2	-33.2	0	0	0	109.3	K788 N812 R813 P814 Y818 S819 Y820	K788-D816 IonicContact NZ-OD1 2.83Å; K788-D816 PolarHBondContact NZ-OD1 3.48Å; N812-D816 PolarHBondContact N-OD2 3.32Å; N812-D816 VanDerWaalsContact N-OD2 3.1Å; R813-D816 WeakPolarHBondContact CA-OD2 3.4Å; R813-D816 WeakPolarHBondContact CB-OD2 3.5Å; R813-D816 PolarHBondContact N-OD2 3.47Å; R813-D816 WeakPolarHBondContact O-CB 3.5Å; R813-D816 PolarHBondContact O-N 2.66Å; P814-D816 VanDerWaalsContact C-N 3.27Å; P814-D816 PolarHBondContact O-N 2.83Å; D816-Y818 VanDerWaalsContact C-N 3.3Å; D816-Y818 PolarHBondContact O-N 2.99Å; D816-S819 CarbonylContact O-C 3.09Å; D816-S819 WeakPolarHBondContact O-CA 3.39Å; D816-S819 WeakPolarHBondContact O-CB 3.38Å; D816-S819 PolarHBondContact O-N 3.27Å; D816-Y820 HydrophobicContact CB-CD2 4.26Å; D816-Y820 HydrophobicContact CB-CE2 3.59Å; D816-Y820 WeakPolarHBondContact O-CD2 3.37Å; D816-Y820 PolarHBondContact O-N 2.85Å
817	V	92.5	Very high	93.2	Very high	13 Å²	13	41.3 Å²	41.3	8%	0.079	21%	0.213	C	C	.	.	H	α-helix	trans	-54.1	-46.1	173.6	178.9	0	0	0	0	111.4	R813 P814 K821 I830 T832 E842	R813-V817 PolarHBondContact O-N 3.02Å; P814-V817 PolarHBondContact O-N 3.37Å; V817-K821 VanDerWaalsContact O-CB 3.31Å; V817-K821 WeakPolarHBondContact O-CB 3.5Å; V817-K821 PolarHBondContact O-N 3.14Å; V817-I830 HydrophobicContact CB-CG2 4.41Å; V817-I830 HydrophobicContact CG1-CG2 4.24Å; V817-I830 HydrophobicContact CG2-CG2 4.05Å; V817-T832 VanDerWaalsContact CG2-OG1 3.23Å; V817-T832 WeakPolarHBondContact CG2-OG1 3.2Å; V817-E842 HydrophobicContact CG1-CB 4.29Å; V817-E842 HydrophobicContact CG1-CG 3.59Å
818	Y	92.4	Very high	93	Very high	125 Å²	125	42.9 Å²	42.9	49%	0.49	22%	0.224	S	C	.	.	H	α-helix	trans	-59.6	-45.6	173.1	175.9	-96.2	0	0	0	111.8	E785 V789 P814 D816 K821 Q822	E785-Y818 HydrophobicContact CB-CD1 4.09Å; E785-Y818 HydrophobicContact CG-CD1 3.89Å; E785-Y818 HydrophobicContact CG-CE1 4.05Å; V789-Y818 HydrophobicContact CG2-CD1 4.45Å; V789-Y818 HydrophobicContact CG2-CE1 4.26Å; P814-Y818 PolarHBondContact O-N 3.06Å; D816-Y818 VanDerWaalsContact C-N 3.3Å; D816-Y818 PolarHBondContact O-N 2.99Å; Y818-K821 PolarHBondContact O-N 3.1Å; Y818-Q822 WeakPolarHBondContact O-CB 3.48Å; Y818-Q822 PolarHBondContact O-N 3.39Å
819	S	92.3	Very high	92.9	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-62.7	-45.3	-179.7	-56.3	0	0	0	0	112.6	A815 D816 Q822 V823	A815-S819 WeakPolarHBondContact O-CB 3.26Å; A815-S819 PolarHBondContact O-N 3.49Å; A815-S819 PolarHBondContact O-OG 3.33Å; D816-S819 CarbonylContact O-C 3.09Å; D816-S819 WeakPolarHBondContact O-CA 3.39Å; D816-S819 WeakPolarHBondContact O-CB 3.38Å; D816-S819 PolarHBondContact O-N 3.27Å; S819-Q822 PolarHBondContact O-N 2.83Å; S819-V823 PolarHBondContact O-N 3.16Å
820	Y	95.3	Very high	92.8	Very high	1 Å²	1	46.2 Å²	46.2	0%	0.004	24%	0.237	C	C	.	.	H	α-helix	trans	-68.1	-39.5	179.3	-55.6	-37.8	0	0	0	112.1	I688 L792 A809 F810 D816 Q822 V823 G824 V825 I830	I688-Y820 HydrophobicContact CB-CE1 4.2Å; I688-Y820 HydrophobicContact CD1-CD1 3.89Å; I688-Y820 HydrophobicContact CD1-CE1 4.21Å; I688-Y820 HydrophobicContact CG2-CD1 4.37Å; I688-Y820 HydrophobicContact CG2-CE1 3.62Å; L792-Y820 HydrophobicContact CD1-CD1 3.9Å; L792-Y820 HydrophobicContact CD1-CE1 3.92Å; A809-Y820 HydrophobicContact CB-CD1 3.76Å; A809-Y820 HydrophobicContact CB-CD2 3.36Å; A809-Y820 HydrophobicContact CB-CE1 4.14Å; A809-Y820 HydrophobicContact CB-CE2 3.75Å; A809-Y820 HydrophobicContact CB-CG 3.37Å; F810-Y820 PolarHBondContact O-OH 3.15Å; D816-Y820 HydrophobicContact CB-CD2 4.26Å; D816-Y820 HydrophobicContact CB-CE2 3.59Å; D816-Y820 WeakPolarHBondContact O-CD2 3.37Å; D816-Y820 PolarHBondContact O-N 2.85Å; Y820-Q822 VanDerWaalsContact C-N 3.34Å; Y820-Q822 PolarHBondContact O-N 2.83Å; Y820-V823 WeakPolarHBondContact O-CG2 3.29Å; Y820-V823 PolarHBondContact O-N 3.19Å; Y820-G824 PolarHBondContact O-N 3.06Å; Y820-V825 WeakPolarHBondContact O-CB 3.22Å; Y820-V825 WeakPolarHBondContact O-CG2 3.31Å; Y820-V825 PolarHBondContact O-N 2.85Å; Y820-I830 HydrophobicContact CD2-CG2 4.19Å
821	K	94.6	Very high	92.7	Very high	128 Å²	128	46.7 Å²	46.7	56%	0.557	24%	0.239	S	C	*	.	H	α-helix	trans	-59.8	-44.4	172.5	-175	-173.6	-178.5	-177	0	111.3	V817 Y818 V823 G824 L827 I830	V817-K821 VanDerWaalsContact O-CB 3.31Å; V817-K821 WeakPolarHBondContact O-CB 3.5Å; V817-K821 PolarHBondContact O-N 3.14Å; Y818-K821 PolarHBondContact O-N 3.1Å; K821-V823 VanDerWaalsContact C-N 3.31Å; K821-V823 PolarHBondContact O-N 3.42Å; K821-G824 PolarHBondContact O-N 2.88Å; K821-L827 HydrophobicContact CB-CD2 4.4Å; K821-L827 HydrophobicContact CD-CD2 4.06Å; K821-L827 HydrophobicContact CG-CD2 4.05Å; K821-I830 HydrophobicContact CB-CD1 4.39Å
822	Q	92.8	Very high	92.8	Very high	114 Å²	114	47.9 Å²	47.9	53%	0.533	25%	0.246	S	C	.	.	H	α-helix	trans	-65.1	-31.2	-177.2	-169.1	62.1	27.5	0	0	113.1	V789 Y818 S819 Y820 G824	V789-Q822 HydrophobicContact CG1-CB 4.36Å; V789-Q822 HydrophobicContact CG1-CG 3.75Å; V789-Q822 HydrophobicContact CG2-CB 4.02Å; V789-Q822 HydrophobicContact CG2-CG 4.18Å; Y818-Q822 WeakPolarHBondContact O-CB 3.48Å; Y818-Q822 PolarHBondContact O-N 3.39Å; S819-Q822 PolarHBondContact O-N 2.83Å; Y820-Q822 VanDerWaalsContact C-N 3.34Å; Y820-Q822 PolarHBondContact O-N 2.83Å; Q822-G824 VanDerWaalsContact C-N 3.33Å
823	V	93.1	Very high	92.9	Very high	3 Å²	3	46.9 Å²	46.9	2%	0.018	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.7	0.5	174.3	-58.3	0	0	0	0	114.1	L792 K796 F806 S819 Y820 K821 V825	L792-V823 HydrophobicContact CB-CG1 3.72Å; L792-V823 HydrophobicContact CB-CG2 4.32Å; K796-V823 WeakPolarHBondContact CD-O 3.33Å; K796-V823 PolarHBondContact NZ-O 3.46Å; F806-V823 HydrophobicContact CD2-CB 4.1Å; F806-V823 HydrophobicContact CD2-CG2 3.65Å; F806-V823 HydrophobicContact CE2-CB 4.08Å; F806-V823 HydrophobicContact CE2-CG2 3.87Å; S819-V823 PolarHBondContact O-N 3.16Å; Y820-V823 WeakPolarHBondContact O-CG2 3.29Å; Y820-V823 PolarHBondContact O-N 3.19Å; K821-V823 VanDerWaalsContact C-N 3.31Å; K821-V823 PolarHBondContact O-N 3.42Å; V823-V825 HydrophobicContact CG2-CG2 4.31Å
824	G	92.8	Very high	92.9	Very high	30 Å²	30	43 Å²	43	31%	0.309	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	98.2	13.8	172.1	0	0	0	0	0	116	Y820 K821 Q822 S826	Y820-G824 PolarHBondContact O-N 3.06Å; K821-G824 PolarHBondContact O-N 2.88Å; Q822-G824 VanDerWaalsContact C-N 3.33Å; G824-S826 PolarHBondContact O-N 3.31Å
825	V	96.1	Very high	92.8	Very high	4 Å²	4	42.1 Å²	42.1	2%	0.024	22%	0.224	C	C	.	.			trans	-68.3	125.2	171.3	-172.6	0	0	0	0	109.1	I688 F806 A809 Y820 V823 R829 I830	I688-V825 HydrophobicContact CD1-CG2 4.25Å; F806-V825 HydrophobicContact CB-CG2 3.67Å; A809-V825 HydrophobicContact CB-CG1 4.17Å; A809-V825 HydrophobicContact CB-CG2 4.32Å; Y820-V825 WeakPolarHBondContact O-CB 3.22Å; Y820-V825 WeakPolarHBondContact O-CG2 3.31Å; Y820-V825 PolarHBondContact O-N 2.85Å; V823-V825 HydrophobicContact CG2-CG2 4.31Å; V825-R829 HydrophobicContact CG1-CB 4.38Å; V825-I830 HydrophobicContact CB-CD1 4.31Å; V825-I830 HydrophobicContact CB-CG1 4.06Å; V825-I830 HydrophobicContact CG1-CD1 4.46Å; V825-I830 HydrophobicContact CG1-CG1 3.69Å
826	S	93.7	Very high	92.8	Very high	58 Å²	58	48 Å²	48	41%	0.406	24%	0.244	S	C	.	.			trans	-61.1	137.6	179.9	-32.1	0	0	0	0	111	G824 N828 R829 I830	G824-S826 PolarHBondContact O-N 3.31Å; S826-N828 PolarHBondContact O-N 3Å; S826-R829 CarbonylContact O-C 3.55Å; S826-R829 WeakPolarHBondContact O-CA 3.26Å; S826-R829 PolarHBondContact O-N 3.43Å; S826-I830 PolarHBondContact O-N 2.89Å
827	L	91.5	Very high	92.6	Very high	57 Å²	57	48.6 Å²	48.6	30%	0.298	25%	0.25	S	S	.	.	G	3₁₀ helix	trans	-56.3	-28.4	-179.2	-59.6	179.8	0	0	0	113.3	K821 R829 I830 E842 H843	K821-L827 HydrophobicContact CB-CD2 4.4Å; K821-L827 HydrophobicContact CD-CD2 4.06Å; K821-L827 HydrophobicContact CG-CD2 4.05Å; L827-R829 PolarHBondContact O-N 2.9Å; L827-I830 HydrophobicContact CD2-CD1 4.16Å; L827-I830 PolarHBondContact O-N 2.83Å; L827-E842 HydrophobicContact CD2-CG 4.12Å; L827-H843 HydrophobicContact CB-CB 4.03Å; L827-H843 PolarHBondContact O-N 3.16Å
828	N	91.8	Very high	92.5	Very high	75 Å²	75	51 Å²	51	40%	0.401	26%	0.261	S	S	.	.	G	3₁₀ helix	trans	-70.7	-9	177	-55.5	39.2	0	0	0	112.6	S826 Q841 H843	S826-N828 PolarHBondContact O-N 3Å; N828-Q841 PolarHBondContact O-NE2 2.87Å; N828-H843 HydrophobicContact CB-CB 4.4Å; N828-H843 PolarHBondContact ND2-CD2 3.3Å; N828-H843 WeakPolarHBondContact OD1-CB 3.37Å; N828-H843 VanDerWaalsContact OD1-CG 3.22Å; N828-H843 PolarHBondContact OD1-ND1 2.93Å
829	R	93.9	Very high	92.5	Very high	69 Å²	69	45.2 Å²	45.2	26%	0.26	24%	0.238	S	C	.	.	G	3₁₀ helix	trans	-126.2	8.7	-175.6	-53.7	-173.7	174.1	-79.2	4.9	112.7	Y807 A808 A809 V825 S826 L827 I861	Y807-R829 WeakPolarHBondContact O-CB 3.27Å; Y807-R829 WeakPolarHBondContact O-CD 3.27Å; Y807-R829 VanDerWaalsContact OH-CZ 3.24Å; Y807-R829 PolarHBondContact OH-NH1 3.02Å; Y807-R829 VanDerWaalsContact OH-NH1 3.08Å; Y807-R829 PolarHBondContact OH-NH2 3.24Å; A808-R829 VanDerWaalsContact CA-O 3.29Å; A808-R829 WeakPolarHBondContact CA-O 3.38Å; A808-R829 HydrophobicContact CB-CB 4.05Å; A808-R829 WeakPolarHBondContact CB-O 3.48Å; A809-R829 PolarHBondContact N-O 3.04Å; V825-R829 HydrophobicContact CG1-CB 4.38Å; S826-R829 CarbonylContact O-C 3.55Å; S826-R829 WeakPolarHBondContact O-CA 3.26Å; S826-R829 PolarHBondContact O-N 3.43Å; L827-R829 PolarHBondContact O-N 2.9Å; R829-I861 PolarHBondContact NH1-O 3.3Å
830	I	96.1	Very high	92.5	Very high	1 Å²	1	47.6 Å²	47.6	1%	0.005	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	124.7	168.2	-59.7	172.9	0	0	0	108.2	A809 V817 Y820 K821 V825 S826 L827 E842	A809-I830 WeakPolarHBondContact O-CA 3.39Å; V817-I830 HydrophobicContact CB-CG2 4.41Å; V817-I830 HydrophobicContact CG1-CG2 4.24Å; V817-I830 HydrophobicContact CG2-CG2 4.05Å; Y820-I830 HydrophobicContact CD2-CG2 4.19Å; K821-I830 HydrophobicContact CB-CD1 4.39Å; V825-I830 HydrophobicContact CB-CD1 4.31Å; V825-I830 HydrophobicContact CB-CG1 4.06Å; V825-I830 HydrophobicContact CG1-CD1 4.46Å; V825-I830 HydrophobicContact CG1-CG1 3.69Å; S826-I830 PolarHBondContact O-N 2.89Å; L827-I830 HydrophobicContact CD2-CD1 4.16Å; L827-I830 PolarHBondContact O-N 2.83Å; I830-E842 HydrophobicContact CB-CB 4.18Å; I830-E842 HydrophobicContact CG2-CB 4.3Å; I830-E842 PolarHBondContact O-N 3.43Å; I830-E842 VanDerWaalsContact O-N 3.07Å
831	F	95.4	Very high	92.3	Very high	10 Å²	10	49.8 Å²	49.8	4%	0.044	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	123.8	178.7	-56.8	-81.9	0	0	0	109.9	A809 F810 G811 L839 I840 Q841 L854 I861 F862	A809-F831 PolarHBondContact O-N 3.48Å; F810-F831 WeakPolarHBondContact CA-O 3.49Å; F810-F831 HydrophobicContact CD1-CB 3.69Å; F810-F831 HydrophobicContact CD1-CD2 4.14Å; F810-F831 HydrophobicContact CD1-CG 4.23Å; F810-F831 HydrophobicContact CE1-CB 3.83Å; F810-F831 AromaticContact CE1-CD2 3.65Å; F810-F831 HydrophobicContact CE1-CD2 3.65Å; F810-F831 HydrophobicContact CE1-CE2 4.46Å; F810-F831 AromaticContact CE1-CG 3.87Å; F810-F831 HydrophobicContact CE1-CG 3.87Å; F810-F831 HydrophobicContact CE2-CD2 4.4Å; F810-F831 AromaticContact CZ-CD2 3.79Å; F810-F831 HydrophobicContact CZ-CD2 3.79Å; F810-F831 HydrophobicContact CZ-CE2 4.27Å; F810-F831 HydrophobicContact CZ-CG 4.46Å; G811-F831 PolarHBondContact N-O 3.34Å; F831-L839 HydrophobicContact CB-CD2 4.41Å; F831-I840 WeakPolarHBondContact CA-O 3.43Å; F831-Q841 HydrophobicContact CD1-CB 4.35Å; F831-Q841 HydrophobicContact CD1-CG 4.47Å; F831-Q841 HydrophobicContact CE1-CB 4.36Å; F831-Q841 HydrophobicContact CE1-CG 4.13Å; F831-L854 HydrophobicContact CD1-CD2 4.35Å; F831-L854 HydrophobicContact CE1-CD1 4.26Å; F831-L854 HydrophobicContact CE1-CD2 4.32Å; F831-L854 HydrophobicContact CZ-CD1 4.38Å; F831-L854 HydrophobicContact CZ-CD2 4.47Å; F831-I861 HydrophobicContact CZ-CG2 4.11Å; F831-F862 HydrophobicContact CE2-CZ 4.34Å
832	T	94.6	Very high	92	Very high	26 Å²	26	45.8 Å²	45.8	16%	0.16	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	120.9	175.5	-50.9	0	0	0	0	109	G811 V817 I840	G811-T832 CarbonylContact O-C 3.33Å; G811-T832 VanDerWaalsContact O-CA 3.27Å; G811-T832 WeakPolarHBondContact O-CA 3.49Å; V817-T832 VanDerWaalsContact CG2-OG1 3.23Å; V817-T832 WeakPolarHBondContact CG2-OG1 3.2Å; T832-I840 PolarHBondContact N-O 2.98Å; T832-I840 PolarHBondContact O-N 3.02Å
833	V	93.4	Very high	91.5	Very high	5 Å²	5	45.7 Å²	45.7	3%	0.03	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	148.1	173.5	78.4	0	0	0	0	110.9	G693 T694 G811 N812 E838 L839 Y851	G693-V833 WeakPolarHBondContact O-CG1 3.35Å; T694-V833 HydrophobicContact CG2-CG1 4.49Å; G811-V833 PolarHBondContact O-N 2.84Å; N812-V833 HydrophobicContact CB-CG1 4.26Å; V833-E838 WeakPolarHBondContact CA-O 3.05Å; V833-L839 HydrophobicContact CB-CD2 3.61Å; V833-L839 HydrophobicContact CG2-CD2 3.75Å; V833-L839 HydrophobicContact CG2-CG 4.42Å; V833-Y851 HydrophobicContact CB-CE2 4.48Å; V833-Y851 HydrophobicContact CG2-CE2 3.83Å
834	N	90.9	Very high	91	Very high	40 Å²	40	46.5 Å²	46.5	21%	0.214	25%	0.25	C	S	.	.			trans	-105.9	166.1	168.8	78.8	16.2	0	0	0	111.9	H714 K836 G837 E838	H714-N834 PolarHBondContact CE1-O 3.07Å; H714-N834 VanDerWaalsContact CE1-O 3.24Å; N834-K836 PolarHBondContact O-N 3.17Å; N834-K836 WeakPolarHBondContact OD1-CB 3.06Å; N834-K836 PolarHBondContact OD1-N 3.5Å; N834-G837 PolarHBondContact O-N 2.88Å; N834-G837 PolarHBondContact OD1-N 3.24Å; N834-E838 PolarHBondContact N-O 2.85Å; N834-E838 PolarHBondContact ND2-OE2 3.11Å; N834-E838 PolarHBondContact OD1-N 2.95Å
835	P	86.6	Confident	90.2	Very high	95 Å²	95	51.2 Å²	51.2	62%	0.617	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	-13.5	-177.4	-29.7	37.7	0	0	0	116.6
836	K	87	Confident	89.1	Confident	153 Å²	153	57 Å²	57	67%	0.665	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.6	-18.8	173	-54.3	167.3	178.3	171.6	0	113.2	N834 E838	N834-K836 PolarHBondContact O-N 3.17Å; N834-K836 WeakPolarHBondContact OD1-CB 3.06Å; N834-K836 PolarHBondContact OD1-N 3.5Å; K836-E838 HydrophobicContact CB-CG 4.28Å; K836-E838 HydrophobicContact CD-CG 4.3Å; K836-E838 WeakPolarHBondContact CD-OE1 3.41Å; K836-E838 WeakPolarHBondContact CD-OE2 3.43Å; K836-E838 IonicContact NZ-OE1 2.85Å; K836-E838 PolarHBondContact NZ-OE1 2.8Å; K836-E838 IonicContact NZ-OE2 2.74Å; K836-E838 PolarHBondContact NZ-OE2 2.74Å
837	G	86.8	Confident	88.3	Confident	14 Å²	14	58.6 Å²	58.6	14%	0.144	30%	0.302	C	S	.	.	S	Bend	trans	92.6	14.8	-171.3	0	0	0	0	0	114.9	H714 N834	H714-G837 PolarHBondContact CE1-N 2.72Å; H714-G837 WeakPolarHBondContact ND1-CA 3.04Å; N834-G837 PolarHBondContact O-N 2.88Å; N834-G837 PolarHBondContact OD1-N 3.24Å
838	E	91.6	Very high	87.8	Confident	63 Å²	63	61.1 Å²	61.1	29%	0.294	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	126.5	169	-60	161.8	175.5	0	0	108	V833 N834 K836 I848 S849	V833-E838 WeakPolarHBondContact CA-O 3.05Å; N834-E838 PolarHBondContact N-O 2.85Å; N834-E838 PolarHBondContact ND2-OE2 3.11Å; N834-E838 PolarHBondContact OD1-N 2.95Å; K836-E838 HydrophobicContact CB-CG 4.28Å; K836-E838 HydrophobicContact CD-CG 4.3Å; K836-E838 WeakPolarHBondContact CD-OE1 3.41Å; K836-E838 WeakPolarHBondContact CD-OE2 3.43Å; K836-E838 IonicContact NZ-OE1 2.85Å; K836-E838 PolarHBondContact NZ-OE1 2.8Å; K836-E838 IonicContact NZ-OE2 2.74Å; K836-E838 PolarHBondContact NZ-OE2 2.74Å; E838-I848 HydrophobicContact CB-CG2 3.87Å; E838-I848 HydrophobicContact CG-CG2 4.33Å; E838-S849 CarbonylContact C-O 3.56Å; E838-S849 WeakPolarHBondContact CA-O 3.41Å
839	L	92.6	Very high	87.7	Confident	3 Å²	3	59.6 Å²	59.6	2%	0.016	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	135.1	176	-73.3	176.8	0	0	0	110.6	F831 V833 I848 S849 Y851 L854	F831-L839 HydrophobicContact CB-CD2 4.41Å; V833-L839 HydrophobicContact CB-CD2 3.61Å; V833-L839 HydrophobicContact CG2-CD2 3.75Å; V833-L839 HydrophobicContact CG2-CG 4.42Å; L839-I848 CarbonylContact O-C 3.39Å; L839-I848 WeakPolarHBondContact O-CA 3.33Å; L839-S849 PolarHBondContact N-O 2.57Å; L839-S849 PolarHBondContact O-N 3.05Å; L839-Y851 HydrophobicContact CD1-CD1 3.74Å; L839-Y851 HydrophobicContact CD1-CE1 4.1Å; L839-Y851 HydrophobicContact CD1-CG 4.1Å; L839-Y851 HydrophobicContact CD2-CD1 4.32Å; L839-Y851 HydrophobicContact CD2-CE1 3.89Å; L839-Y851 HydrophobicContact CD2-CE2 4.37Å; L839-Y851 HydrophobicContact CG-CD1 4.4Å; L839-Y851 HydrophobicContact CG-CE1 4.45Å; L839-L854 HydrophobicContact CD1-CB 4.25Å; L839-L854 HydrophobicContact CD1-CD2 3.66Å
840	I	91.4	Very high	87.6	Confident	50 Å²	50	58.2 Å²	58.2	26%	0.256	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	127	174.7	-55.4	177.1	0	0	0	108.5	F831 T832 K845	F831-I840 WeakPolarHBondContact CA-O 3.43Å; T832-I840 PolarHBondContact N-O 2.98Å; T832-I840 PolarHBondContact O-N 3.02Å; I840-K845 HydrophobicContact CG2-CB 4.45Å
841	Q	91.6	Very high	87.5	Confident	47 Å²	47	58.2 Å²	58.2	22%	0.22	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	122.2	174.4	-172.4	-176.9	24.4	0	0	109.4	N828 F831 H843 A844 K845	N828-Q841 PolarHBondContact O-NE2 2.87Å; F831-Q841 HydrophobicContact CD1-CB 4.35Å; F831-Q841 HydrophobicContact CD1-CG 4.47Å; F831-Q841 HydrophobicContact CE1-CB 4.36Å; F831-Q841 HydrophobicContact CE1-CG 4.13Å; Q841-H843 VanDerWaalsContact C-N 3.32Å; Q841-H843 PolarHBondContact O-N 3.44Å; Q841-A844 CarbonylContact O-C 3.58Å; Q841-A844 PolarHBondContact O-N 2.99Å; Q841-K845 PolarHBondContact O-N 3.33Å
842	E	88.4	Confident	87.4	Confident	44 Å²	44	60.8 Å²	60.8	21%	0.206	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-35.8	-168.1	173.9	61.2	-172.9	0	0	113.9	V817 L827 I830 A844 K845	V817-E842 HydrophobicContact CG1-CB 4.29Å; V817-E842 HydrophobicContact CG1-CG 3.59Å; L827-E842 HydrophobicContact CD2-CG 4.12Å; I830-E842 HydrophobicContact CB-CB 4.18Å; I830-E842 HydrophobicContact CG2-CB 4.3Å; I830-E842 PolarHBondContact O-N 3.43Å; I830-E842 VanDerWaalsContact O-N 3.07Å; E842-A844 VanDerWaalsContact C-N 3.29Å; E842-A844 PolarHBondContact O-N 2.82Å; E842-K845 WeakPolarHBondContact O-CG 3.47Å; E842-K845 WeakPolarHBondContact OE1-CE 3.5Å; E842-K845 IonicContact OE1-NZ 3.7Å; E842-K845 PolarHBondContact OE1-NZ 2.94Å; E842-K845 IonicContact OE2-NZ 3.07Å; E842-K845 PolarHBondContact OE2-NZ 2.83Å
843	H	83.1	Confident	87.3	Confident	113 Å²	113	66.5 Å²	66.5	52%	0.523	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-31	173.9	177.6	66.8	0	0	0	113.6	L827 N828 Q841	L827-H843 HydrophobicContact CB-CB 4.03Å; L827-H843 PolarHBondContact O-N 3.16Å; N828-H843 HydrophobicContact CB-CB 4.4Å; N828-H843 PolarHBondContact ND2-CD2 3.3Å; N828-H843 WeakPolarHBondContact OD1-CB 3.37Å; N828-H843 VanDerWaalsContact OD1-CG 3.22Å; N828-H843 PolarHBondContact OD1-ND1 2.93Å; Q841-H843 VanDerWaalsContact C-N 3.32Å; Q841-H843 PolarHBondContact O-N 3.44Å
844	A	82.1	Confident	87.2	Confident	20 Å²	20	66.5 Å²	66.5	17%	0.165	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	72.3	-172.7	0	0	0	0	0	109.5	Q841 E842 T846 N847	Q841-A844 CarbonylContact O-C 3.58Å; Q841-A844 PolarHBondContact O-N 2.99Å; E842-A844 VanDerWaalsContact C-N 3.29Å; E842-A844 PolarHBondContact O-N 2.82Å; A844-T846 PolarHBondContact O-N 3.39Å; A844-N847 HydrophobicContact CB-CB 4.15Å; A844-N847 WeakPolarHBondContact CB-ND2 3.45Å; A844-N847 WeakPolarHBondContact O-CB 3.24Å; A844-N847 PolarHBondContact O-N 2.81Å
845	K	75.6	Confident	87.4	Confident	129 Å²	129	65 Å²	65	56%	0.561	34%	0.337	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-61.4	-9.8	-171.3	-58.9	179	-174.3	-96.5	0	115.1	I840 Q841 E842	I840-K845 HydrophobicContact CG2-CB 4.45Å; Q841-K845 PolarHBondContact O-N 3.33Å; E842-K845 WeakPolarHBondContact O-CG 3.47Å; E842-K845 WeakPolarHBondContact OE1-CE 3.5Å; E842-K845 IonicContact OE1-NZ 3.7Å; E842-K845 PolarHBondContact OE1-NZ 2.94Å; E842-K845 IonicContact OE2-NZ 3.07Å; E842-K845 PolarHBondContact OE2-NZ 2.83Å
846	T	72.6	Confident	87.7	Confident	125 Å²	125	65.6 Å²	65.6	77%	0.767	33%	0.332	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.7	-19.2	171.6	48	0	0	0	0	113.8	A844 I848	A844-T846 PolarHBondContact O-N 3.39Å; T846-I848 VanDerWaalsContact C-N 3.35Å; T846-I848 PolarHBondContact O-N 3.12Å
847	N	77.6	Confident	87.9	Confident	91 Å²	91	60.9 Å²	60.9	49%	0.487	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	80.6	178.6	-72.9	-12	0	0	0	110.4	A844	A844-N847 HydrophobicContact CB-CB 4.15Å; A844-N847 WeakPolarHBondContact CB-ND2 3.45Å; A844-N847 WeakPolarHBondContact O-CB 3.24Å; A844-N847 PolarHBondContact O-N 2.81Å
848	I	81.6	Confident	88.2	Confident	110 Å²	110	60.2 Å²	60.2	56%	0.564	31%	0.309	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.3	128.3	170.9	-52.7	179.4	0	0	0	109.1	E838 L839 T846	E838-I848 HydrophobicContact CB-CG2 3.87Å; E838-I848 HydrophobicContact CG-CG2 4.33Å; L839-I848 CarbonylContact O-C 3.39Å; L839-I848 WeakPolarHBondContact O-CA 3.33Å; T846-I848 VanDerWaalsContact C-N 3.35Å; T846-I848 PolarHBondContact O-N 3.12Å
849	S	88.6	Confident	88.2	Confident	43 Å²	43	60.7 Å²	60.7	30%	0.301	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	-166.1	-177.8	-169	0	0	0	0	110.2	E838 L839	E838-S849 CarbonylContact C-O 3.56Å; E838-S849 WeakPolarHBondContact CA-O 3.41Å; L839-S849 PolarHBondContact N-O 2.57Å; L839-S849 PolarHBondContact O-N 3.05Å
850	S	92.6	Very high	88.1	Confident	41 Å²	41	68.5 Å²	68.5	29%	0.287	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	162.6	172.2	70.2	0	0	0	0	110.3	V852 R853 L854	S850-V852 PolarHBondContact O-N 2.85Å; S850-R853 PolarHBondContact O-N 2.97Å; S850-R853 VanDerWaalsContact O-N 3.13Å; S850-R853 PolarHBondContact OG-N 3.04Å; S850-L854 WeakPolarHBondContact O-CB 3.49Å; S850-L854 PolarHBondContact O-N 3.14Å
851	Y	93.9	Very high	88.1	Confident	1 Å²	1	68 Å²	68	0%	0.004	35%	0.347	C	S	.	.	H	α-helix	trans	-55	-35.9	175.6	-70.6	-66	0	0	0	112.4	T694 H714 I717 L720 Y721 F810 V833 L839 C855	T694-Y851 PolarHBondContact O-OH 2.88Å; H714-Y851 HydrophobicContact CB-CD2 3.66Å; H714-Y851 HydrophobicContact CB-CE2 3.44Å; H714-Y851 VanDerWaalsContact CB-CE2 3.44Å; H714-Y851 AromaticContact CG-CE2 3.85Å; I717-Y851 HydrophobicContact CB-CD1 4.26Å; I717-Y851 HydrophobicContact CB-CD2 4.04Å; I717-Y851 HydrophobicContact CB-CE1 4.44Å; I717-Y851 HydrophobicContact CB-CE2 4.21Å; I717-Y851 HydrophobicContact CB-CG 4.06Å; I717-Y851 HydrophobicContact CD1-CE1 3.89Å; I717-Y851 HydrophobicContact CD1-CE2 3.92Å; I717-Y851 HydrophobicContact CG1-CD1 3.93Å; I717-Y851 HydrophobicContact CG1-CD2 4.34Å; I717-Y851 HydrophobicContact CG1-CE1 3.74Å; I717-Y851 HydrophobicContact CG1-CE2 4.14Å; I717-Y851 HydrophobicContact CG1-CG 4.23Å; L720-Y851 HydrophobicContact CD2-CD1 3.73Å; L720-Y851 HydrophobicContact CD2-CE1 4.46Å; Y721-Y851 HydrophobicContact CE1-CE1 4.33Å; F810-Y851 AromaticContact CD1-CE1 3.93Å; F810-Y851 HydrophobicContact CD1-CE1 3.93Å; F810-Y851 HydrophobicContact CE1-CE1 4.13Å; V833-Y851 HydrophobicContact CB-CE2 4.48Å; V833-Y851 HydrophobicContact CG2-CE2 3.83Å; L839-Y851 HydrophobicContact CD1-CD1 3.74Å; L839-Y851 HydrophobicContact CD1-CE1 4.1Å; L839-Y851 HydrophobicContact CD1-CG 4.1Å; L839-Y851 HydrophobicContact CD2-CD1 4.32Å; L839-Y851 HydrophobicContact CD2-CE1 3.89Å; L839-Y851 HydrophobicContact CD2-CE2 4.37Å; L839-Y851 HydrophobicContact CG-CD1 4.4Å; L839-Y851 HydrophobicContact CG-CE1 4.45Å; Y851-C855 VanDerWaalsContact O-CB 3.29Å; Y851-C855 WeakPolarHBondContact O-CB 3.48Å; Y851-C855 PolarHBondContact O-N 2.82Å
852	V	92.8	Very high	88.3	Confident	63 Å²	63	65.8 Å²	65.8	38%	0.382	34%	0.337	S	S	.	.	H	α-helix	trans	-64.4	-50.7	175.6	-178.1	0	0	0	0	111.2	S850 L854 C855 E856	S850-V852 PolarHBondContact O-N 2.85Å; V852-L854 VanDerWaalsContact C-N 3.31Å; V852-L854 PolarHBondContact O-N 3.24Å; V852-C855 VanDerWaalsContact O-CB 3.3Å; V852-C855 WeakPolarHBondContact O-CB 3.42Å; V852-C855 PolarHBondContact O-N 3.35Å; V852-C855 VanDerWaalsContact O-N 3.11Å; V852-E856 PolarHBondContact O-N 3.27Å
853	R	92.4	Very high	88.5	Confident	147 Å²	147	66.3 Å²	66.3	56%	0.555	34%	0.344	S	S	*	.	H	α-helix	trans	-67.1	-33.6	179.9	-174.7	53.8	167.7	-172.3	-1.8	111.9	S850 C855 E856 V857	S850-R853 PolarHBondContact O-N 2.97Å; S850-R853 VanDerWaalsContact O-N 3.13Å; S850-R853 PolarHBondContact OG-N 3.04Å; R853-C855 VanDerWaalsContact C-N 3.32Å; R853-E856 WeakPolarHBondContact CD-OE2 3.28Å; R853-E856 IonicContact CZ-OE2 3.24Å; R853-E856 IonicContact NE-OE2 2.79Å; R853-E856 IonicContact NH1-OE2 3.26Å; R853-E856 PolarHBondContact NH1-OE2 3.42Å; R853-E856 WeakPolarHBondContact O-CB 3.07Å; R853-E856 PolarHBondContact O-N 3.17Å; R853-V857 PolarHBondContact O-N 3.23Å
854	L	92.6	Very high	89	Confident	5 Å²	5	66.9 Å²	66.9	3%	0.026	35%	0.35	C	S	.	.	H	α-helix	trans	-66.8	-32.4	173.2	-169.4	59.9	0	0	0	112.1	L720 F810 F831 L839 S850 V852 E856 V857 V858 I861	L720-L854 HydrophobicContact CD1-CB 4.38Å; L720-L854 HydrophobicContact CD1-CG 4.08Å; L720-L854 HydrophobicContact CD2-CB 4.33Å; L720-L854 HydrophobicContact CD2-CD2 3.67Å; L720-L854 HydrophobicContact CD2-CG 4.03Å; F810-L854 HydrophobicContact CE1-CD2 3.76Å; F810-L854 HydrophobicContact CZ-CD2 4.02Å; F831-L854 HydrophobicContact CD1-CD2 4.35Å; F831-L854 HydrophobicContact CE1-CD1 4.26Å; F831-L854 HydrophobicContact CE1-CD2 4.32Å; F831-L854 HydrophobicContact CZ-CD1 4.38Å; F831-L854 HydrophobicContact CZ-CD2 4.47Å; L839-L854 HydrophobicContact CD1-CB 4.25Å; L839-L854 HydrophobicContact CD1-CD2 3.66Å; S850-L854 WeakPolarHBondContact O-CB 3.49Å; S850-L854 PolarHBondContact O-N 3.14Å; V852-L854 VanDerWaalsContact C-N 3.31Å; V852-L854 PolarHBondContact O-N 3.24Å; L854-E856 VanDerWaalsContact C-N 3.29Å; L854-E856 PolarHBondContact O-N 3.15Å; L854-V857 HydrophobicContact CD1-CG2 4.43Å; L854-V857 PolarHBondContact O-N 2.93Å; L854-V858 WeakPolarHBondContact O-CA 3.47Å; L854-V858 PolarHBondContact O-N 2.83Å; L854-I861 HydrophobicContact CD1-CD1 3.46Å; L854-I861 VanDerWaalsContact CD1-CD1 3.46Å
855	C	93.3	Very high	89.2	Confident	7 Å²	7	68.9 Å²	68.9	5%	0.047	36%	0.358	C	S	.	.	H	α-helix	trans	-70.9	-20.8	175.3	-172.2	0	0	0	0	113.4	L720 K723 Y851 V852 R853 V858	L720-C855 HydrophobicContact CB-CB 4.18Å; L720-C855 HydrophobicContact CD1-CB 4.13Å; K723-C855 PolarHBondContact NZ-O 3.13Å; Y851-C855 VanDerWaalsContact O-CB 3.29Å; Y851-C855 WeakPolarHBondContact O-CB 3.48Å; Y851-C855 PolarHBondContact O-N 2.82Å; V852-C855 VanDerWaalsContact O-CB 3.3Å; V852-C855 WeakPolarHBondContact O-CB 3.42Å; V852-C855 PolarHBondContact O-N 3.35Å; V852-C855 VanDerWaalsContact O-N 3.11Å; R853-C855 VanDerWaalsContact C-N 3.32Å; C855-V858 WeakPolarHBondContact O-CG1 3.29Å
856	E	93	Very high	88.5	Confident	108 Å²	108	70.3 Å²	70.3	51%	0.505	36%	0.364	S	S	.	.	H	α-helix	trans	-79.2	-36.9	174.9	-67.2	167.6	-174.9	0	0	112.3	V852 R853 L854	V852-E856 PolarHBondContact O-N 3.27Å; R853-E856 WeakPolarHBondContact CD-OE2 3.28Å; R853-E856 IonicContact CZ-OE2 3.24Å; R853-E856 IonicContact NE-OE2 2.79Å; R853-E856 IonicContact NH1-OE2 3.26Å; R853-E856 PolarHBondContact NH1-OE2 3.42Å; R853-E856 WeakPolarHBondContact O-CB 3.07Å; R853-E856 PolarHBondContact O-N 3.17Å; L854-E856 VanDerWaalsContact C-N 3.29Å; L854-E856 PolarHBondContact O-N 3.15Å
857	V	92.7	Very high	87.6	Confident	55 Å²	55	73.7 Å²	73.7	33%	0.333	36%	0.363	S	S	.	.	S	Bend	trans	-99.7	11.3	178.5	-62.1	0	0	0	0	113.6	R853 L854 D859 H860 I861	R853-V857 PolarHBondContact O-N 3.23Å; L854-V857 HydrophobicContact CD1-CG2 4.43Å; L854-V857 PolarHBondContact O-N 2.93Å; V857-D859 VanDerWaalsContact C-N 3.28Å; V857-D859 PolarHBondContact O-N 2.93Å; V857-D859 VanDerWaalsContact O-N 3.16Å; V857-H860 WeakPolarHBondContact O-CB 3.43Å; V857-H860 PolarHBondContact O-N 3.39Å; V857-I861 HydrophobicContact CG2-CD1 3.75Å
858	V	93.2	Very high	86	Confident	0 Å²	0	74.5 Å²	74.5	0%	0	38%	0.376	C	S	.	.	H	α-helix	trans	-54.8	-40.8	-168.7	66.7	0	0	0	0	113	L720 K723 V724 L854 C855 H860 I861 F862	L720-V858 HydrophobicContact CD1-CB 4.24Å; L720-V858 HydrophobicContact CD1-CG2 3.87Å; K723-V858 HydrophobicContact CB-CG1 4.26Å; K723-V858 HydrophobicContact CD-CG1 3.51Å; V724-V858 HydrophobicContact CG2-CG2 3.53Å; L854-V858 WeakPolarHBondContact O-CA 3.47Å; L854-V858 PolarHBondContact O-N 2.83Å; C855-V858 WeakPolarHBondContact O-CG1 3.29Å; V858-H860 PolarHBondContact O-N 3.15Å; V858-H860 VanDerWaalsContact O-N 3.16Å; V858-I861 PolarHBondContact O-N 3.48Å; V858-F862 HydrophobicContact CG2-CB 4.16Å; V858-F862 HydrophobicContact CG2-CD2 3.95Å; V858-F862 HydrophobicContact CG2-CG 4.43Å; V858-F862 CarbonylContact O-C 3.57Å; V858-F862 WeakPolarHBondContact O-CA 3.35Å; V858-F862 PolarHBondContact O-N 3.02Å
859	D	91.1	Very high	84	Confident	73 Å²	73	78.3 Å²	78.3	39%	0.39	39%	0.391	S	S	.	.	H	α-helix	trans	-70.7	-13.7	-175	-50.5	-67.6	0	0	0	113.4	N727 V857 P863	N727-D859 PolarHBondContact ND2-OD1 2.8Å; V857-D859 VanDerWaalsContact C-N 3.28Å; V857-D859 PolarHBondContact O-N 2.93Å; V857-D859 VanDerWaalsContact O-N 3.16Å; D859-P863 VanDerWaalsContact O-CA 3.3Å; D859-P863 WeakPolarHBondContact O-CA 3.42Å
860	H	90.3	Very high	81.6	Confident	166 Å²	166	78.3 Å²	78.3	77%	0.769	39%	0.391	S	S	*	.	H	α-helix	trans	-87.9	-25.6	172.4	-64.4	70.2	0	0	0	112.4	V857 V858	V857-H860 WeakPolarHBondContact O-CB 3.43Å; V857-H860 PolarHBondContact O-N 3.39Å; V858-H860 PolarHBondContact O-N 3.15Å; V858-H860 VanDerWaalsContact O-N 3.16Å
861	I	91.4	Very high	78.9	Confident	40 Å²	40	81.6 Å²	81.6	21%	0.205	41%	0.414	C	S	.	.	H	α-helix	trans	-100.9	-36.3	-174.7	-63.2	173.4	0	0	0	110.8	Y807 R829 F831 L854 V857 V858 P863	Y807-I861 WeakPolarHBondContact CE1-O 3.39Å; Y807-I861 PolarHBondContact OH-O 3.11Å; Y807-I861 VanDerWaalsContact OH-O 3.12Å; R829-I861 PolarHBondContact NH1-O 3.3Å; F831-I861 HydrophobicContact CZ-CG2 4.11Å; L854-I861 HydrophobicContact CD1-CD1 3.46Å; L854-I861 VanDerWaalsContact CD1-CD1 3.46Å; V857-I861 HydrophobicContact CG2-CD1 3.75Å; V858-I861 PolarHBondContact O-N 3.48Å; I861-P863 VanDerWaalsContact C-CD 3.42Å; I861-P863 WeakPolarHBondContact O-CD 3.14Å
862	F	94.7	Very high	76.2	Confident	0 Å²	0	87.8 Å²	87.8	0%	0	45%	0.447	C	S	.	.	S	Bend	trans	-122.8	66.5	175.5	-60.6	-90.9	0	0	0	108.8	V687 V724 N727 Y729 Y807 A808 F810 F831 V858	V687-F862 HydrophobicContact CG1-CE1 4.45Å; V687-F862 HydrophobicContact CG2-CD1 4.29Å; V687-F862 HydrophobicContact CG2-CE1 3.78Å; V724-F862 HydrophobicContact CG1-CB 4.43Å; V724-F862 HydrophobicContact CG1-CD1 3.58Å; V724-F862 HydrophobicContact CG1-CE1 3.91Å; V724-F862 HydrophobicContact CG1-CG 4.02Å; V724-F862 HydrophobicContact CG2-CB 4.2Å; V724-F862 HydrophobicContact CG2-CD1 4.1Å; V724-F862 HydrophobicContact CG2-CD2 3.76Å; V724-F862 HydrophobicContact CG2-CE1 4.38Å; V724-F862 HydrophobicContact CG2-CE2 4.08Å; V724-F862 HydrophobicContact CG2-CG 3.77Å; V724-F862 HydrophobicContact CG2-CZ 4.38Å; N727-F862 PolarHBondContact ND2-O 2.97Å; Y729-F862 HydrophobicContact CD2-CB 4.23Å; Y729-F862 HydrophobicContact CD2-CD1 4.34Å; Y729-F862 HydrophobicContact CE2-CB 3.73Å; Y729-F862 HydrophobicContact CE2-CD1 4.25Å; Y807-F862 AromaticContact CD1-CD1 3.85Å; Y807-F862 HydrophobicContact CD1-CD1 3.85Å; Y807-F862 HydrophobicContact CD1-CE1 4.02Å; Y807-F862 AromaticContact CE1-CD1 3.81Å; Y807-F862 HydrophobicContact CE1-CD1 3.81Å; Y807-F862 HydrophobicContact CE1-CE1 4.28Å; Y807-F862 HydrophobicContact CE1-CG 4.43Å; A808-F862 HydrophobicContact CB-CE1 3.58Å; A808-F862 HydrophobicContact CB-CZ 3.79Å; F810-F862 HydrophobicContact CE2-CZ 4.07Å; F810-F862 HydrophobicContact CZ-CE2 4.44Å; F810-F862 HydrophobicContact CZ-CZ 4.03Å; F831-F862 HydrophobicContact CE2-CZ 4.34Å; V858-F862 HydrophobicContact CG2-CB 4.16Å; V858-F862 HydrophobicContact CG2-CD2 3.95Å; V858-F862 HydrophobicContact CG2-CG 4.43Å; V858-F862 CarbonylContact O-C 3.57Å; V858-F862 WeakPolarHBondContact O-CA 3.35Å; V858-F862 PolarHBondContact O-N 3.02Å
863	P	94.1	Very high	73.5	Confident	56 Å²	56	91.3 Å²	91.3	36%	0.364	46%	0.457	S	S	.	.			trans	-60.3	151.1	178.4	28.4	-36.8	0	0	0	111.6	Y729 Y807 D859 I861 L865	Y729-P863 WeakPolarHBondContact CE2-O 3.26Å; Y729-P863 PolarHBondContact OH-O 2.69Å; Y807-P863 WeakPolarHBondContact OH-CD 3.29Å; D859-P863 VanDerWaalsContact O-CA 3.3Å; D859-P863 WeakPolarHBondContact O-CA 3.42Å; I861-P863 VanDerWaalsContact C-CD 3.42Å; I861-P863 WeakPolarHBondContact O-CD 3.14Å; P863-L865 PolarHBondContact O-N 3.07Å; P863-L865 VanDerWaalsContact O-N 3.1Å
864	L	92.4	Very high	70.9	Confident	124 Å²	124	89.2 Å²	89.2	65%	0.649	46%	0.463	S	S	*	.			trans	-52	114.4	178.3	-78.3	153.9	0	0	0	111.9	N727 K866	N727-L864 HydrophobicContact CB-CD2 4.25Å; L864-K866 PolarHBondContact O-N 3.19Å
865	L	87.3	Confident	68.2	Low	62 Å²	62	92.1 Å²	92.1	33%	0.325	48%	0.483	S	S	.	.			trans	-68.3	116.4	168.1	-58	179.2	0	0	0	107.5	K685 N727 Y729 P863 R867	K685-L865 HydrophobicContact CB-CD1 3.87Å; K685-L865 HydrophobicContact CG-CD1 4.19Å; K685-L865 HydrophobicContact CG-CD2 4.47Å; N727-L865 PolarHBondContact O-N 2.96Å; Y729-L865 HydrophobicContact CD1-CD1 3.87Å; Y729-L865 HydrophobicContact CD2-CD1 4.2Å; Y729-L865 HydrophobicContact CD2-CG 4.33Å; Y729-L865 HydrophobicContact CE1-CD1 3.88Å; Y729-L865 HydrophobicContact CE1-CD2 4.01Å; Y729-L865 HydrophobicContact CE1-CG 4.14Å; Y729-L865 HydrophobicContact CE2-CD1 4.22Å; Y729-L865 HydrophobicContact CE2-CD2 4.33Å; Y729-L865 HydrophobicContact CE2-CG 3.93Å; Y729-L865 HydrophobicContact CG-CD1 4.03Å; P863-L865 PolarHBondContact O-N 3.07Å; P863-L865 VanDerWaalsContact O-N 3.1Å; L865-R867 PolarHBondContact O-N 3.43Å; L865-R867 VanDerWaalsContact O-N 3.1Å
866	K	61.3	Low	65.9	Low	159 Å²	159	96.1 Å²	96.1	69%	0.691	51%	0.511	S	S	*	.			trans	-53.5	118.9	-171.3	-68.1	-168.9	-179.5	-163.9	0	111.1	L864 S868 F873	L864-K866 PolarHBondContact O-N 3.19Å; K866-S868 PolarHBondContact O-N 3.15Å; K866-F873 HydrophobicContact CD-CE2 3.87Å; K866-F873 HydrophobicContact CD-CZ 4.36Å; K866-F873 HydrophobicContact CG-CE2 4.37Å
867	R	52	Low	63.7	Low	197 Å²	197	97.1 Å²	97.1	74%	0.743	52%	0.52	S	S	*	.			trans	-77.1	103.1	-179.6	-157.9	178.2	-155.6	139.3	4.2	108.9	L865 H869 S870	L865-R867 PolarHBondContact O-N 3.43Å; L865-R867 VanDerWaalsContact O-N 3.1Å; R867-H869 PolarHBondContact O-N 3.47Å; R867-S870 PolarHBondContact O-N 3.34Å
868	S	44.2	Very low	61.5	Low	107 Å²	107	97.9 Å²	97.9	75%	0.748	52%	0.524	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	3.9	-169.7	-49.5	0	0	0	0	117.2	K866	K866-S868 PolarHBondContact O-N 3.15Å
869	H	40.6	Very low	59.3	Low	191 Å²	191	106.5 Å²	106.5	88%	0.884	56%	0.562	S	S	*	*	T	Hydrogen-bonded Turn	trans	-133.1	13.6	176.3	-61.6	-59.8	0	0	0	114.3	R867	R867-H869 PolarHBondContact O-N 3.47Å
870	S	37	Very low	57.9	Low	43 Å²	43	105.9 Å²	105.9	30%	0.301	56%	0.564	S	S	.	*			trans	-126.7	112.7	161	64.4	0	0	0	0	110.4	R867 D872	R867-S870 PolarHBondContact O-N 3.34Å; S870-D872 WeakPolarHBondContact CB-OD2 3.4Å; S870-D872 PolarHBondContact O-N 3.35Å; S870-D872 PolarHBondContact OG-OD2 3.31Å
871	S	37.4	Very low	56.1	Low	110 Å²	110	105.9 Å²	105.9	77%	0.769	56%	0.564	S	S	*	*			trans	-78.1	66	171.7	55.5	0	0	0	0	109.6	F873	S871-F873 PolarHBondContact O-N 3.5Å
872	D	36.9	Very low	54.3	Low	131 Å²	131	111.2 Å²	111.2	70%	0.701	59%	0.586	S	S	*	*			trans	-81.8	4.8	172.8	-58.7	-49.6	0	0	0	111.9	S870 P874	S870-D872 WeakPolarHBondContact CB-OD2 3.4Å; S870-D872 PolarHBondContact O-N 3.35Å; S870-D872 PolarHBondContact OG-OD2 3.31Å; D872-P874 VanDerWaalsContact O-CD 3.26Å; D872-P874 WeakPolarHBondContact O-CD 3.45Å
873	F	35.9	Very low	52.6	Low	136 Å²	136	113.9 Å²	113.9	60%	0.596	60%	0.603	S	S	*	*	S	Bend	trans	-70.6	109.9	145.9	-72.3	-85.2	0	0	0	106.6	K866 S871 C875	K866-F873 HydrophobicContact CD-CE2 3.87Å; K866-F873 HydrophobicContact CD-CZ 4.36Å; K866-F873 HydrophobicContact CG-CE2 4.37Å; S871-F873 PolarHBondContact O-N 3.5Å; F873-C875 PolarHBondContact O-N 3.48Å
874	P	37.2	Very low	51.2	Low	103 Å²	103	117.9 Å²	117.9	67%	0.669	61%	0.612	S	S	*	*			trans	-55.5	133.7	169.2	28	-35.1	0	0	0	107.2	D872	D872-P874 VanDerWaalsContact O-CD 3.26Å; D872-P874 WeakPolarHBondContact O-CD 3.45Å
875	C	36.2	Very low	50.3	Low	67 Å²	67	121.3 Å²	121.3	45%	0.453	62%	0.616	S	S	.	*			trans	-59.2	160.1	-159.2	-152	0	0	0	0	112.4	F873 D877 T878	F873-C875 PolarHBondContact O-N 3.48Å; C875-D877 HydrophobicContact CB-CB 4.45Å; C875-D877 PolarHBondContact O-N 3.08Å; C875-D877 PolarHBondContact SG-OD2 2.69Å; C875-D877 VanDerWaalsContact SG-OD2 3.42Å; C875-T878 PolarHBondContact O-N 3.15Å; C875-T878 PolarHBondContact O-OG1 2.69Å
876	S	45.3	Very low	49	Very low	91 Å²	91	126.6 Å²	126.6	64%	0.636	63%	0.632	S	S	*	*	T	Hydrogen-bonded Turn	trans	-46	-27.9	168.5	37.5	0	0	0	0	113.1	T878	S876-T878 VanDerWaalsContact C-N 3.3Å; S876-T878 PolarHBondContact O-N 2.88Å
877	D	46.8	Very low	49.1	Very low	128 Å²	128	127.7 Å²	127.7	68%	0.684	64%	0.639	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.4	-0	-172.2	-33.3	-27.4	0	0	0	112.1	C875	C875-D877 HydrophobicContact CB-CB 4.45Å; C875-D877 PolarHBondContact O-N 3.08Å; C875-D877 PolarHBondContact SG-OD2 2.69Å; C875-D877 VanDerWaalsContact SG-OD2 3.42Å
878	T	46	Very low	49.7	Very low	71 Å²	71	124.1 Å²	124.1	44%	0.436	64%	0.642	S	S	.	*	S	Bend	trans	-99.5	127.8	173.3	59.5	0	0	0	0	111.3	C875 S876 S880 T883	C875-T878 PolarHBondContact O-N 3.15Å; C875-T878 PolarHBondContact O-OG1 2.69Å; S876-T878 VanDerWaalsContact C-N 3.3Å; S876-T878 PolarHBondContact O-N 2.88Å; T878-S880 PolarHBondContact O-N 3.36Å; T878-T883 PolarHBondContact O-OG1 2.64Å
879	F	48	Very low	50.6	Low	181 Å²	181	126.8 Å²	126.8	79%	0.794	65%	0.647	S	S	*	*			trans	-67.6	105.3	-177.7	-86.5	-112.2	0	0	0	111.3	Y884	F879-Y884 AromaticContact CD1-CD2 3.89Å; F879-Y884 HydrophobicContact CD1-CD2 3.89Å; F879-Y884 HydrophobicContact CD1-CE2 4.5Å; F879-Y884 AromaticContact CE1-CD2 3.62Å; F879-Y884 HydrophobicContact CE1-CD2 3.62Å; F879-Y884 AromaticContact CE1-CE2 3.9Å; F879-Y884 HydrophobicContact CE1-CE2 3.9Å
880	S	60.7	Low	51.6	Low	61 Å²	61	123.1 Å²	123.1	43%	0.427	64%	0.64	S	S	.	*			trans	-109.2	148.7	161.7	173.1	0	0	0	0	109.2	T878 F882 T883 Y884	T878-S880 PolarHBondContact O-N 3.36Å; S880-F882 PolarHBondContact O-N 3.22Å; S880-F882 PolarHBondContact OG-N 3.08Å; S880-T883 WeakPolarHBondContact CB-OG1 3.48Å; S880-T883 PolarHBondContact N-OG1 2.99Å; S880-T883 VanDerWaalsContact N-OG1 3.11Å; S880-T883 PolarHBondContact O-N 3.5Å; S880-T883 PolarHBondContact O-OG1 2.98Å; S880-Y884 PolarHBondContact O-N 3.18Å
881	Q	53.2	Low	52.6	Low	166 Å²	166	127 Å²	127	78%	0.776	66%	0.664	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.9	-15.2	173.8	-162.9	173.6	12	0	0	112.4
882	F	54.1	Low	53.3	Low	151 Å²	151	131 Å²	131	66%	0.662	67%	0.668	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87	-28.8	172.6	-171.8	-99.3	0	0	0	114.1	S880	S880-F882 PolarHBondContact O-N 3.22Å; S880-F882 PolarHBondContact OG-N 3.08Å
883	T	58.3	Low	53.9	Low	57 Å²	57	133.1 Å²	133.1	35%	0.35	67%	0.673	S	S	.	*	T	Hydrogen-bonded Turn	trans	-86.3	-33	176.1	36.4	0	0	0	0	112.6	T878 S880 W885 R886	T878-T883 PolarHBondContact O-OG1 2.64Å; S880-T883 WeakPolarHBondContact CB-OG1 3.48Å; S880-T883 PolarHBondContact N-OG1 2.99Å; S880-T883 VanDerWaalsContact N-OG1 3.11Å; S880-T883 PolarHBondContact O-N 3.5Å; S880-T883 PolarHBondContact O-OG1 2.98Å; T883-W885 PolarHBondContact O-N 3.47Å; T883-W885 VanDerWaalsContact O-N 3.13Å; T883-R886 PolarHBondContact O-N 3.25Å
884	Y	64.8	Low	54.2	Low	140 Å²	140	132 Å²	132	55%	0.549	68%	0.678	S	S	.	*	T	Hydrogen-bonded Turn	trans	-57.5	-28.5	-175.9	-177	-104.9	0	0	0	115.1	F879 S880	F879-Y884 AromaticContact CD1-CD2 3.89Å; F879-Y884 HydrophobicContact CD1-CD2 3.89Å; F879-Y884 HydrophobicContact CD1-CE2 4.5Å; F879-Y884 AromaticContact CE1-CD2 3.62Å; F879-Y884 HydrophobicContact CE1-CD2 3.62Å; F879-Y884 AromaticContact CE1-CE2 3.9Å; F879-Y884 HydrophobicContact CE1-CE2 3.9Å; S880-Y884 PolarHBondContact O-N 3.18Å
885	W	72.8	Confident	54.2	Low	196 Å²	196	135.5 Å²	135.5	74%	0.742	69%	0.686	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98	11.5	-177.7	-56.3	112.6	0	0	0	114.7	T883	T883-W885 PolarHBondContact O-N 3.47Å; T883-W885 VanDerWaalsContact O-N 3.13Å
886	R	60.9	Low	54.3	Low	173 Å²	173	138.8 Å²	138.8	65%	0.653	70%	0.699	S	S	*	*	S	Bend	trans	-96	137.9	173.6	-71.1	-168.2	177.1	-148	-2.2	111	T883	T883-R886 PolarHBondContact O-N 3.25Å
887	E	63.9	Low	54	Low	181 Å²	181	140.6 Å²	140.6	85%	0.846	71%	0.706	S	S	*	*	P	Polyproline II helix	trans	-63.6	139.1	166.7	-63.8	-178.1	137.7	0	0	109.9
888	P	64.2	Low	53.6	Low	123 Å²	123	142.9 Å²	142.9	80%	0.799	71%	0.711	S	S	*	*	P	Polyproline II helix	trans	-60	140	174.1	-23.2	33.9	0	0	0	111.5
889	L	62.6	Low	53.4	Low	163 Å²	163	145.3 Å²	145.3	85%	0.853	73%	0.731	S	S	*	*	P	Polyproline II helix	trans	-66.1	138.5	170.2	-65.3	176	0	0	0	109.6
890	P	62.4	Low	53.1	Low	114 Å²	114	141.1 Å²	141.1	74%	0.74	73%	0.731	S	S	*	*	P	Polyproline II helix	trans	-63.3	141	175.5	26.8	-33.9	0	0	0	110.4
891	P	57.5	Low	52.1	Low	125 Å²	125	143.9 Å²	143.9	81%	0.812	75%	0.75	S	S	*	*	P	Polyproline II helix	trans	-64.6	138.7	179.1	27.4	-34.3	0	0	0	110.9
892	F	51.9	Low	51.3	Low	194 Å²	194	145.5 Å²	145.5	85%	0.851	78%	0.779	S	S	*	*			trans	-93	110.4	-177.3	-162.8	-85.7	0	0	0	109.8	T894	F892-T894 PolarHBondContact O-N 2.89Å
893	E	49.2	Very low	51.1	Low	174 Å²	174	145.2 Å²	145.2	81%	0.813	79%	0.785	S	S	*	*			trans	-72.1	120.2	177.2	-68.2	-172.2	145.3	0	0	111.1	Q895	E893-Q895 PolarHBondContact O-N 2.63Å
894	T	41.5	Very low	50.7	Low	113 Å²	113	149.8 Å²	149.8	69%	0.693	81%	0.808	S	S	*	*			trans	-80	109.7	173.4	47.4	0	0	0	0	110.4	F892 D896	F892-T894 PolarHBondContact O-N 2.89Å; T894-D896 PolarHBondContact O-N 3.42Å
895	Q	38.6	Very low	50	Low	177 Å²	177	150.4 Å²	150.4	83%	0.827	82%	0.822	S	S	*	*			trans	-78.1	101.4	169.9	-74	-170.2	-12.8	0	0	110.9	E893 V897	E893-Q895 PolarHBondContact O-N 2.63Å; Q895-V897 PolarHBondContact O-N 3.08Å; Q895-V897 VanDerWaalsContact O-N 3.09Å
896	D	38.7	Very low	48.6	Very low	136 Å²	136	147.7 Å²	147.7	73%	0.727	83%	0.827	S	S	*	*			trans	-69	98.4	170.3	-72.9	-49.9	0	0	0	111	T894 H898	T894-D896 PolarHBondContact O-N 3.42Å; D896-H898 VanDerWaalsContact C-N 3.34Å; D896-H898 PolarHBondContact O-N 3.43Å
897	V	38.8	Very low	47.9	Very low	129 Å²	129	146.1 Å²	146.1	78%	0.782	84%	0.838	S	S	*	*			trans	-79.9	81.6	173.9	-175	0	0	0	0	110	Q895 S899	Q895-V897 PolarHBondContact O-N 3.08Å; Q895-V897 VanDerWaalsContact O-N 3.09Å; V897-S899 PolarHBondContact O-N 3.06Å
898	H	37.8	Very low	46.8	Very low	175 Å²	175	143.8 Å²	143.8	81%	0.81	84%	0.837	S	S	*	*			trans	-70.6	117.9	164.7	-85.8	-65.6	0	0	0	110.6	D896	D896-H898 VanDerWaalsContact C-N 3.34Å; D896-H898 PolarHBondContact O-N 3.43Å
899	S	42.3	Very low	45.5	Very low	122 Å²	122	145.3 Å²	145.3	85%	0.853	84%	0.84	S	S	*	*			trans	-79.9	121	177.2	38.3	0	0	0	0	111.9	V897	V897-S899 PolarHBondContact O-N 3.06Å
900	A	40.3	Very low	44.2	Very low	94 Å²	94	143.9 Å²	143.9	78%	0.777	84%	0.839	S	S	*	*			trans	-144.4	110	177.3	0	0	0	0	0	113
901	S	41	Very low	42.7	Very low	119 Å²	119	146.4 Å²	146.4	83%	0.832	85%	0.847	S	S	*	*			trans	27.3	105.3	145.4	-179	0	0	0	0	119.7
902	S	35.1	Very low	41.4	Very low	199 Å²	199	148.4 Å²	148.4	100%	1.392	85%	0.851	S	S	*	*			trans	-157.7	0	131.5	-75.1	0	0	0	0	110

Retrieved 902 of 902 residues in 3622 ms (Link to these results)

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