A0A3Q0KPS9_SCHMA Loading...

Putative lipin

AlphaFold DB , UniProt , Accession A0A3Q0KPS9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 848 aa.

						>A0A3Q0KPS9_SCHMA|A0A3Q0KPS9
MNYLGRLISSAHQYYKSINVANLTGAIDVIVVKNKDGEYQSTPFYVRFGKMGVLYPRSHVVDVCINGQPRPDICMHVEPTGYAYFDNEEAKLKTERTEALLRSNEELQTWTQNENDHIDCVTNESNTEQLENVFEIDIQDIPNGENSKPMNNSSEFQSESTDVIPTLDKGSLSSNIEEVDKENTEKITLRDLIQYLQDTYHWPNEFYIYRLLNKSNTVNHKENKDNPDNKTSQLNLNPSNQFNHSQKIQSTRPKFFRKKSSINCELLYPEDFLKLETDKISFNSIWIVWSDRCMSGETAARILLKNLSQTEKNIHLEKDTLHPAYNIILEQHKRDRGSEFPLMSSSFNETTDDCEPEIQTNQSNTMNTSSSSSWLWWRRRRQTNPSVISSDSGSHDLTYQDSLHQHSSVQSMLAPIDLVISSPVLMQEEFDQENYERPYNLPKTGLLNAPPTAKIPLHSSAIDVRCRSKTPDPSQTSSPEEAGYFSDDYESNNAYHRKTTGNIESRIPIQQANRLTSQQLKSLNLHEGANEAVFSVVSKYQGTCQCACFIYLWHWSDKIVISDIDGTITKSDWLGQLMPLVGMDWTHHHIAQLYNKIANNGYKFIYLSSRPIGQARATRKLLYTIQQGNYRLPDGPILLSPFSVLEAFRKEVIAKRADEYKIECLREVCNLFIDDNHNHQNENEEDNIPFIAGFGNRPTDIATYKAIGLNDHQIYTVDYLGNVICGDPGENGKDKKLKKKNDTAHVSSNQQLNNENKSTSSVTTTSETSSTTSDSFVNTTTTTNTTTTTTNTNDTITTGLTTTTVYTNSVLAKLNLDSLLQMVDVYFPQVNDRLLYATNYSDYTYWRM
					

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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	37.8	Very low	36.4	Very low	219 Å²	219	96.8 Å²	96.8	100%	1.079	50%	0.496	S	S	*	.				0	-47.9	0	-71	156.3	82.3	0	0	112.4	Y3 L4	M1-Y3 PolarHBondContact O-N 3.17Å; M1-L4 PolarHBondContact O-N 3.5Å
2	N	40.5	Very low	36.4	Very low	148 Å²	148	94.8 Å²	94.8	79%	0.791	48%	0.483	S	S	*	.	H	α-helix	trans	-63.1	-10.9	-171.4	-57.4	19.8	0	0	0	117.4
3	Y	35.2	Very low	36.5	Very low	172 Å²	172	95.5 Å²	95.5	68%	0.675	48%	0.483	S	S	*	.	H	α-helix	trans	-71.3	-34.8	177.7	-82.4	-83.4	0	0	0	113.5	M1 R6	M1-Y3 PolarHBondContact O-N 3.17Å; Y3-R6 PolarHBondContact O-N 2.84Å
4	L	36.7	Very low	36.7	Very low	91 Å²	91	95.6 Å²	95.6	48%	0.476	48%	0.476	S	S	.	.	H	α-helix	trans	-72	-34.7	-174.7	-154.3	72.2	0	0	0	112.3	M1 R6 L7 I8 Y268	M1-L4 PolarHBondContact O-N 3.5Å; L4-R6 PolarHBondContact O-N 3.13Å; L4-L7 WeakPolarHBondContact O-CB 3.47Å; L4-L7 PolarHBondContact O-N 3.39Å; L4-L7 VanDerWaalsContact O-N 3.15Å; L4-I8 HydrophobicContact CG-CD1 4.46Å; L4-I8 PolarHBondContact O-N 3.25Å; L4-I8 VanDerWaalsContact O-N 3.14Å; L4-Y268 HydrophobicContact CD2-CE1 4.31Å
5	G	34.7	Very low	36.8	Very low	41 Å²	41	93.7 Å²	93.7	42%	0.423	46%	0.462	S	S	.	.	H	α-helix	trans	-60.1	-42.4	176.4	0	0	0	0	0	113	L7 I8 S9	G5-L7 VanDerWaalsContact C-N 3.28Å; G5-L7 PolarHBondContact O-N 3.02Å; G5-I8 PolarHBondContact O-N 3.16Å; G5-S9 WeakPolarHBondContact O-CB 3.27Å; G5-S9 PolarHBondContact O-N 2.77Å
6	R	35.8	Very low	36.9	Very low	143 Å²	143	95.9 Å²	95.9	54%	0.54	47%	0.468	S	S	.	.	H	α-helix	trans	-63.9	-29.8	175.4	-87.4	-177.1	62.8	-168.8	-2.2	113.5	Y3 L4 S9 S10	Y3-R6 PolarHBondContact O-N 2.84Å; L4-R6 PolarHBondContact O-N 3.13Å; R6-S9 PolarHBondContact O-OG 3Å; R6-S10 WeakPolarHBondContact O-CB 3.42Å; R6-S10 PolarHBondContact O-N 3.3Å; R6-S10 VanDerWaalsContact O-N 3.16Å; R6-S10 PolarHBondContact O-OG 2.86Å
7	L	36.1	Very low	37	Very low	74 Å²	74	95.4 Å²	95.4	39%	0.387	48%	0.476	S	S	.	.	H	α-helix	trans	-73.7	-44.1	177.3	-94.5	163.8	0	0	0	111.6	L4 G5 S9 A11 V581	L4-L7 WeakPolarHBondContact O-CB 3.47Å; L4-L7 PolarHBondContact O-N 3.39Å; L4-L7 VanDerWaalsContact O-N 3.15Å; G5-L7 VanDerWaalsContact C-N 3.28Å; G5-L7 PolarHBondContact O-N 3.02Å; L7-S9 VanDerWaalsContact C-N 3.35Å; L7-A11 WeakPolarHBondContact O-CB 3.44Å; L7-A11 PolarHBondContact O-N 3.22Å; L7-A11 VanDerWaalsContact O-N 3.08Å; L7-V581 HydrophobicContact CD2-CG2 3.65Å
8	I	38.2	Very low	37.5	Very low	85 Å²	85	92.4 Å²	92.4	44%	0.436	46%	0.462	S	S	.	.	H	α-helix	trans	-67.1	-37.8	177.7	-63.8	168.1	0	0	0	111	L4 G5 A11 H12	L4-I8 HydrophobicContact CG-CD1 4.46Å; L4-I8 PolarHBondContact O-N 3.25Å; L4-I8 VanDerWaalsContact O-N 3.14Å; G5-I8 PolarHBondContact O-N 3.16Å; I8-A11 WeakPolarHBondContact O-CB 3.21Å; I8-A11 PolarHBondContact O-N 3.41Å; I8-H12 PolarHBondContact O-N 3.31Å
9	S	35.5	Very low	38	Very low	20 Å²	20	91.7 Å²	91.7	14%	0.14	46%	0.46	C	S	.	.	H	α-helix	trans	-66.4	-50.7	177.9	87.8	0	0	0	0	111.1	G5 R6 L7 A11 H12 Q13 E339	G5-S9 WeakPolarHBondContact O-CB 3.27Å; G5-S9 PolarHBondContact O-N 2.77Å; R6-S9 PolarHBondContact O-OG 3Å; L7-S9 VanDerWaalsContact C-N 3.35Å; S9-A11 PolarHBondContact O-N 3.05Å; S9-A11 VanDerWaalsContact O-N 3.11Å; S9-H12 PolarHBondContact O-N 3.38Å; S9-Q13 PolarHBondContact O-N 3Å; S9-E339 VanDerWaalsContact C-OE1 3.26Å; S9-E339 WeakPolarHBondContact CB-OE1 3.45Å; S9-E339 PolarHBondContact OG-OE1 2.94Å
10	S	34.6	Very low	38.5	Very low	64 Å²	64	88.5 Å²	88.5	45%	0.448	45%	0.445	S	S	.	.	H	α-helix	trans	-53.3	-35.6	173.4	-57.5	0	0	0	0	112.8	R6 Q13 Y14	R6-S10 WeakPolarHBondContact O-CB 3.42Å; R6-S10 PolarHBondContact O-N 3.3Å; R6-S10 VanDerWaalsContact O-N 3.16Å; R6-S10 PolarHBondContact O-OG 2.86Å; S10-Q13 PolarHBondContact O-N 3.43Å; S10-Y14 WeakPolarHBondContact O-CB 3.46Å; S10-Y14 PolarHBondContact O-N 3.28Å
11	A	35.1	Very low	38.9	Very low	8 Å²	8	85.1 Å²	85.1	7%	0.066	43%	0.431	C	S	.	.	H	α-helix	trans	-67.5	-44.2	176.7	0	0	0	0	0	113.1	L7 I8 S9 Q13 Y15 L577	L7-A11 WeakPolarHBondContact O-CB 3.44Å; L7-A11 PolarHBondContact O-N 3.22Å; L7-A11 VanDerWaalsContact O-N 3.08Å; I8-A11 WeakPolarHBondContact O-CB 3.21Å; I8-A11 PolarHBondContact O-N 3.41Å; S9-A11 PolarHBondContact O-N 3.05Å; S9-A11 VanDerWaalsContact O-N 3.11Å; A11-Q13 VanDerWaalsContact C-N 3.3Å; A11-Y15 PolarHBondContact O-N 3.22Å; A11-L577 HydrophobicContact CB-CD1 3.5Å; A11-L577 HydrophobicContact CB-CD2 3.45Å; A11-L577 VanDerWaalsContact CB-CD2 3.45Å; A11-L577 HydrophobicContact CB-CG 4.1Å
12	H	36.5	Very low	39.8	Very low	73 Å²	73	76.3 Å²	76.3	34%	0.338	39%	0.388	S	S	.	.	H	α-helix	trans	-65.5	-37.3	174.3	-171.5	55.6	0	0	0	111.2	I8 S9 Y15 K16	I8-H12 PolarHBondContact O-N 3.31Å; S9-H12 PolarHBondContact O-N 3.38Å; H12-Y15 PolarHBondContact O-N 3.04Å; H12-K16 WeakPolarHBondContact NE2-CE 3.37Å; H12-K16 PolarHBondContact NE2-NZ 3.16Å; H12-K16 WeakPolarHBondContact O-CB 3.49Å; H12-K16 PolarHBondContact O-N 2.94Å
13	Q	37.5	Very low	41.1	Very low	104 Å²	104	70.8 Å²	70.8	49%	0.486	36%	0.358	S	S	.	.	H	α-helix	trans	-67.1	-41.7	177.8	-155.8	158.6	84.8	0	0	112.4	S9 S10 A11 Y15 K16 S17 E339	S9-Q13 PolarHBondContact O-N 3Å; S10-Q13 PolarHBondContact O-N 3.43Å; A11-Q13 VanDerWaalsContact C-N 3.3Å; Q13-Y15 VanDerWaalsContact C-N 3.34Å; Q13-Y15 PolarHBondContact O-N 3.26Å; Q13-K16 CarbonylContact O-C 3.01Å; Q13-K16 PolarHBondContact O-N 3.27Å; Q13-K16 VanDerWaalsContact O-N 3.09Å; Q13-S17 WeakPolarHBondContact O-CB 3.47Å; Q13-S17 PolarHBondContact O-N 2.82Å; Q13-S17 PolarHBondContact O-OG 3.35Å; Q13-E339 WeakPolarHBondContact CB-OE2 3.45Å; Q13-E339 PolarHBondContact NE2-OE2 3.02Å
14	Y	39.7	Very low	43.3	Very low	96 Å²	96	64.5 Å²	64.5	38%	0.376	34%	0.338	S	S	.	.	H	α-helix	trans	-57.7	-44.1	173.5	-174.8	-106.6	0	0	0	112.1	S10 K16 S17 I18	S10-Y14 WeakPolarHBondContact O-CB 3.46Å; S10-Y14 PolarHBondContact O-N 3.28Å; Y14-K16 VanDerWaalsContact C-N 3.3Å; Y14-K16 PolarHBondContact O-N 2.83Å; Y14-S17 PolarHBondContact O-OG 2.95Å; Y14-I18 HydrophobicContact CD1-CD1 3.96Å; Y14-I18 HydrophobicContact CD2-CD1 4.4Å; Y14-I18 HydrophobicContact CE1-CD1 3.62Å; Y14-I18 HydrophobicContact CE2-CD1 4.08Å; Y14-I18 HydrophobicContact CG-CD1 4.34Å; Y14-I18 VanDerWaalsContact O-CG1 3.32Å; Y14-I18 WeakPolarHBondContact O-CG1 3.4Å; Y14-I18 PolarHBondContact O-N 3.4Å
15	Y	37.9	Very low	45.8	Very low	68 Å²	68	60.3 Å²	60.3	27%	0.267	32%	0.317	S	S	.	.	H	α-helix	trans	-72.9	-17.5	176.4	-90.3	-91.8	0	0	0	114.6	A11 H12 Q13 W573 Q576 Q614	A11-Y15 PolarHBondContact O-N 3.22Å; H12-Y15 PolarHBondContact O-N 3.04Å; Q13-Y15 VanDerWaalsContact C-N 3.34Å; Q13-Y15 PolarHBondContact O-N 3.26Å; Y15-W573 AromaticContact CD1-CH2 3.97Å; Y15-W573 HydrophobicContact CD1-CH2 3.97Å; Y15-W573 AromaticContact CD2-CH2 3.73Å; Y15-W573 HydrophobicContact CD2-CH2 3.73Å; Y15-W573 AromaticContact CD2-CZ2 3.9Å; Y15-W573 HydrophobicContact CD2-CZ2 3.9Å; Y15-W573 AromaticContact CE1-CH2 3.65Å; Y15-W573 HydrophobicContact CE1-CH2 3.65Å; Y15-W573 HydrophobicContact CE1-CZ3 4.11Å; Y15-W573 AromaticContact CE2-CH2 3.42Å; Y15-W573 HydrophobicContact CE2-CH2 3.42Å; Y15-W573 VanDerWaalsContact CE2-CH2 3.42Å; Y15-W573 AromaticContact CE2-CZ2 3.86Å; Y15-W573 HydrophobicContact CE2-CZ2 3.86Å; Y15-W573 HydrophobicContact CE2-CZ3 4.04Å; Y15-W573 HydrophobicContact CG-CH2 4.01Å; Y15-W573 HydrophobicContact CG-CZ2 4.39Å; Y15-W573 AromaticContact CZ-CH2 3.38Å; Y15-W573 AromaticContact CZ-CZ3 3.69Å; Y15-Q576 PolarHBondContact OH-NE2 3.09Å; Y15-Q576 VanDerWaalsContact OH-NE2 3.08Å; Y15-Q576 PolarHBondContact OH-OE1 3.13Å; Y15-Q576 VanDerWaalsContact OH-OE1 3.06Å; Y15-Q614 PolarHBondContact OH-NE2 3.45Å
16	K	38.6	Very low	48.5	Very low	129 Å²	129	58.4 Å²	58.4	56%	0.561	30%	0.297	S	S	*	.	H	α-helix	trans	-91.2	-32.2	173.1	-99.8	176.6	169.9	164.1	0	113.8	H12 Q13 Y14	H12-K16 WeakPolarHBondContact NE2-CE 3.37Å; H12-K16 PolarHBondContact NE2-NZ 3.16Å; H12-K16 WeakPolarHBondContact O-CB 3.49Å; H12-K16 PolarHBondContact O-N 2.94Å; Q13-K16 CarbonylContact O-C 3.01Å; Q13-K16 PolarHBondContact O-N 3.27Å; Q13-K16 VanDerWaalsContact O-N 3.09Å; Y14-K16 VanDerWaalsContact C-N 3.3Å; Y14-K16 PolarHBondContact O-N 2.83Å
17	S	39.4	Very low	51.3	Low	87 Å²	87	51.9 Å²	51.9	61%	0.608	27%	0.273	S	S	*	.	H	α-helix	trans	-78	-29	-178.5	61.7	0	0	0	0	112.2	Q13 Y14 N19	Q13-S17 WeakPolarHBondContact O-CB 3.47Å; Q13-S17 PolarHBondContact O-N 2.82Å; Q13-S17 PolarHBondContact O-OG 3.35Å; Y14-S17 PolarHBondContact O-OG 2.95Å; S17-N19 PolarHBondContact O-N 2.96Å
18	I	45.1	Very low	54.2	Low	42 Å²	42	48.4 Å²	48.4	22%	0.215	26%	0.255	C	S	.	.	S	Bend	trans	-69.3	94.8	169.6	-64.9	169.2	0	0	0	108.6	Y14 V20 L23	Y14-I18 HydrophobicContact CD1-CD1 3.96Å; Y14-I18 HydrophobicContact CD2-CD1 4.4Å; Y14-I18 HydrophobicContact CE1-CD1 3.62Å; Y14-I18 HydrophobicContact CE2-CD1 4.08Å; Y14-I18 HydrophobicContact CG-CD1 4.34Å; Y14-I18 VanDerWaalsContact O-CG1 3.32Å; Y14-I18 WeakPolarHBondContact O-CG1 3.4Å; Y14-I18 PolarHBondContact O-N 3.4Å; I18-V20 PolarHBondContact O-N 2.65Å; I18-L23 HydrophobicContact CG2-CD1 3.7Å; I18-L23 HydrophobicContact CG2-CD2 3.62Å; I18-L23 HydrophobicContact CG2-CG 3.63Å
19	N	48	Very low	57	Low	79 Å²	79	44.4 Å²	44.4	42%	0.422	23%	0.234	S	C	.	.			trans	-62.9	101.4	160.6	175.8	-2.4	0	0	0	107.8	S17 A21 N22	S17-N19 PolarHBondContact O-N 2.96Å; N19-A21 PolarHBondContact O-N 3.1Å; N19-A21 VanDerWaalsContact OD1-CB 3.27Å; N19-A21 WeakPolarHBondContact OD1-CB 3.43Å; N19-A21 PolarHBondContact OD1-N 3.42Å; N19-N22 PolarHBondContact ND2-OD1 2.71Å; N19-N22 VanDerWaalsContact O-CB 3.25Å; N19-N22 WeakPolarHBondContact O-CB 3.29Å; N19-N22 PolarHBondContact O-N 3.07Å
20	V	47.9	Very low	60	Low	26 Å²	26	43.4 Å²	43.4	16%	0.158	23%	0.228	C	C	.	.	G	3₁₀ helix	trans	-53.5	-28.4	-174.1	167.6	0	0	0	0	113.3	I18 N22 L23 V644 L645	I18-V20 PolarHBondContact O-N 2.65Å; V20-N22 PolarHBondContact O-N 3.39Å; V20-L23 PolarHBondContact O-N 3.14Å; V20-V644 HydrophobicContact CB-CB 4.44Å; V20-V644 HydrophobicContact CB-CG2 4.47Å; V20-V644 HydrophobicContact CG1-CB 3.53Å; V20-V644 HydrophobicContact CG1-CG2 3.68Å; V20-V644 HydrophobicContact CG2-CB 3.99Å; V20-V644 HydrophobicContact CG2-CG2 4.08Å; V20-L645 HydrophobicContact CB-CD1 4.23Å; V20-L645 HydrophobicContact CB-CG 4.09Å; V20-L645 HydrophobicContact CG1-CB 3.96Å; V20-L645 HydrophobicContact CG1-CD1 3.87Å; V20-L645 HydrophobicContact CG1-CG 3.56Å
21	A	46	Very low	63	Low	19 Å²	19	40.4 Å²	40.4	16%	0.157	21%	0.206	C	C	.	.	G	3₁₀ helix	trans	-56.7	-33.3	175.4	0	0	0	0	0	111.8	N19 R47 G49 K50 L645	N19-A21 PolarHBondContact O-N 3.1Å; N19-A21 VanDerWaalsContact OD1-CB 3.27Å; N19-A21 WeakPolarHBondContact OD1-CB 3.43Å; N19-A21 PolarHBondContact OD1-N 3.42Å; A21-R47 PolarHBondContact O-NH1 2.92Å; A21-G49 WeakPolarHBondContact O-CA 3.3Å; A21-K50 HydrophobicContact CB-CB 4.03Å; A21-K50 PolarHBondContact O-N 2.98Å; A21-L645 HydrophobicContact CB-CD1 4.45Å
22	N	57.7	Low	65.9	Low	34 Å²	34	40 Å²	40	18%	0.182	20%	0.203	C	C	.	.	G	3₁₀ helix	trans	-85.1	-12.9	-171	-54.9	-5	0	0	0	114.7	N19 V20 T24 G49 M51	N19-N22 PolarHBondContact ND2-OD1 2.71Å; N19-N22 VanDerWaalsContact O-CB 3.25Å; N19-N22 WeakPolarHBondContact O-CB 3.29Å; N19-N22 PolarHBondContact O-N 3.07Å; V20-N22 PolarHBondContact O-N 3.39Å; N22-T24 PolarHBondContact O-N 3.45Å; N22-T24 PolarHBondContact O-OG1 3.4Å; N22-T24 VanDerWaalsContact O-OG1 3.12Å; N22-G49 VanDerWaalsContact C-CA 3.48Å; N22-G49 VanDerWaalsContact O-CA 3.25Å; N22-G49 WeakPolarHBondContact O-CA 3.31Å; N22-M51 PolarHBondContact ND2-SD 2.62Å; N22-M51 WeakPolarHBondContact OD1-CB 3.25Å; N22-M51 VanDerWaalsContact OD1-CG 3.31Å; N22-M51 WeakPolarHBondContact OD1-CG 3.48Å; N22-M51 PolarHBondContact OD1-N 3.49Å
23	L	67.5	Low	68.7	Low	32 Å²	32	40.4 Å²	40.4	17%	0.168	20%	0.204	C	C	.	.			trans	-63.1	111.4	-172.9	-78.7	170.9	0	0	0	111.1	I18 V20 R47 V644	I18-L23 HydrophobicContact CG2-CD1 3.7Å; I18-L23 HydrophobicContact CG2-CD2 3.62Å; I18-L23 HydrophobicContact CG2-CG 3.63Å; V20-L23 PolarHBondContact O-N 3.14Å; L23-R47 PolarHBondContact O-NH1 2.76Å; L23-V644 HydrophobicContact CD1-CG2 3.49Å; L23-V644 VanDerWaalsContact CD1-CG2 3.49Å
24	T	81.7	Confident	71.4	Confident	39 Å²	39	36 Å²	36	24%	0.239	18%	0.183	C	C	.	.			trans	-103.9	132.2	-177.8	-61.6	0	0	0	0	109.1	N22 R47 F48 G49 C546	N22-T24 PolarHBondContact O-N 3.45Å; N22-T24 PolarHBondContact O-OG1 3.4Å; N22-T24 VanDerWaalsContact O-OG1 3.12Å; T24-R47 CarbonylContact C-O 3.58Å; T24-R47 VanDerWaalsContact CA-O 3.3Å; T24-R47 WeakPolarHBondContact CA-O 3.5Å; T24-F48 HydrophobicContact CG2-CD1 4.01Å; T24-G49 WeakPolarHBondContact OG1-CA 3.45Å; T24-G49 PolarHBondContact OG1-N 2.9Å; T24-C546 HydrophobicContact CG2-CB 3.83Å
25	G	87.8	Confident	73.7	Confident	4 Å²	4	35.3 Å²	35.3	4%	0.041	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-172.4	163.6	-172.8	0	0	0	0	0	114.1	R47	G25-R47 PolarHBondContact N-O 3.41Å; G25-R47 PolarHBondContact O-N 2.87Å
26	A	92.8	Very high	76.1	Confident	1 Å²	1	38.1 Å²	38.1	1%	0.008	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	137.8	176.5	0	0	0	0	0	109.8	Y45 V46 F534 C546 C548 A615 R619	A26-Y45 WeakPolarHBondContact CA-O 3.39Å; A26-V46 HydrophobicContact CB-CG2 4.08Å; A26-F534 HydrophobicContact CB-CD2 4.41Å; A26-F534 HydrophobicContact CB-CE2 4.49Å; A26-C546 HydrophobicContact CB-CB 4.43Å; A26-C548 HydrophobicContact CB-CB 3.8Å; A26-A615 VanDerWaalsContact O-CB 3.28Å; A26-A615 WeakPolarHBondContact O-CB 3.36Å; A26-R619 PolarHBondContact O-NH2 3Å
27	I	93.2	Very high	78.6	Confident	5 Å²	5	32.8 Å²	32.8	3%	0.026	18%	0.183	C	C	.	.	P	Polyproline II helix	trans	-82.1	149.5	174.9	-54.2	-172	0	0	0	108.7	Y45 C548 I612 I637 L638 L639 P641	I27-Y45 HydrophobicContact CD1-CD2 4.09Å; I27-Y45 HydrophobicContact CD1-CG 4.17Å; I27-Y45 PolarHBondContact N-O 2.8Å; I27-C548 VanDerWaalsContact O-CB 3.22Å; I27-C548 WeakPolarHBondContact O-CB 3.18Å; I27-C548 PolarHBondContact O-SG 2.75Å; I27-I612 HydrophobicContact CD1-CB 4.36Å; I27-I612 HydrophobicContact CD1-CD1 4.45Å; I27-I612 HydrophobicContact CD1-CG1 4.43Å; I27-I612 HydrophobicContact CG1-CB 4.26Å; I27-I612 HydrophobicContact CG1-CD1 3.98Å; I27-I612 HydrophobicContact CG1-CG1 3.86Å; I27-I637 WeakPolarHBondContact CG2-O 3.48Å; I27-L638 HydrophobicContact CG2-CD2 4.4Å; I27-L639 HydrophobicContact CD1-CB 3.98Å; I27-L639 VanDerWaalsContact CD1-O 3.29Å; I27-L639 WeakPolarHBondContact CD1-O 3.43Å; I27-L639 HydrophobicContact CG1-CB 4.22Å; I27-P641 HydrophobicContact CD1-CB 4.13Å
28	D	97.4	Very high	81.1	Confident	1 Å²	1	33.2 Å²	33.2	1%	0.005	18%	0.176	C	C	.	.	P	Polyproline II helix	trans	-71.4	139.5	175.3	-60.8	-42.5	0	0	0	110.5	C548 F549 Y551 R619 P636 I637	D28-C548 WeakPolarHBondContact OD1-CA 3.45Å; D28-C548 WeakPolarHBondContact OD1-CB 3.11Å; D28-F549 CarbonylContact C-O 3.6Å; D28-F549 WeakPolarHBondContact CA-O 3.12Å; D28-F549 PolarHBondContact OD1-N 3.45Å; D28-Y551 HydrophobicContact CB-CD2 4.44Å; D28-Y551 HydrophobicContact CB-CE2 4.1Å; D28-R619 IonicContact OD1-CZ 2.68Å; D28-R619 IonicContact OD1-NE 3.31Å; D28-R619 PolarHBondContact OD1-NE 2.65Å; D28-R619 IonicContact OD1-NH1 3.73Å; D28-R619 PolarHBondContact OD1-NH1 3.39Å; D28-R619 IonicContact OD1-NH2 2.77Å; D28-R619 WeakPolarHBondContact OD2-CD 3.3Å; D28-R619 IonicContact OD2-CZ 3.62Å; D28-R619 IonicContact OD2-NE 2.69Å; D28-R619 IonicContact OD2-NH1 2.64Å; D28-R619 PolarHBondContact OD2-NH1 3.34Å; D28-P636 HydrophobicContact CB-CB 3.88Å; D28-I637 WeakPolarHBondContact OD2-CB 3.43Å; D28-I637 PolarHBondContact OD2-N 2.76Å
29	V	97.4	Very high	83.5	Confident	1 Å²	1	33.1 Å²	33.1	1%	0.006	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	136.9	-177.6	179	0	0	0	0	109.1	V31 T42 F44 F549 I550 Y551	V29-V31 HydrophobicContact CG1-CG2 4.19Å; V29-T42 WeakPolarHBondContact CA-OG1 2.89Å; V29-F44 HydrophobicContact CG1-CD2 4.29Å; V29-F44 HydrophobicContact CG1-CE1 4.48Å; V29-F44 HydrophobicContact CG1-CE2 3.87Å; V29-F44 HydrophobicContact CG1-CZ 3.98Å; V29-F44 HydrophobicContact CG2-CD1 3.84Å; V29-F44 HydrophobicContact CG2-CD2 4.26Å; V29-F44 HydrophobicContact CG2-CE1 4.04Å; V29-F44 HydrophobicContact CG2-CE2 4.44Å; V29-F44 HydrophobicContact CG2-CG 3.96Å; V29-F44 HydrophobicContact CG2-CZ 4.33Å; V29-F549 PolarHBondContact N-O 3.29Å; V29-I550 HydrophobicContact CB-CG1 4.28Å; V29-I550 HydrophobicContact CB-CG2 4.41Å; V29-I550 HydrophobicContact CG1-CG2 4.43Å; V29-I550 CarbonylContact O-C 3.55Å; V29-I550 WeakPolarHBondContact O-CA 3.5Å; V29-Y551 PolarHBondContact O-N 3.33Å
30	I	98.1	Very high	85.7	Confident	0 Å²	0	32.6 Å²	32.6	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	135.8	169.8	-51.6	-176.2	0	0	0	107	V32 S41 T42 W553 I605 P636 L638 V668 L671	I30-V32 HydrophobicContact CG2-CG2 4.34Å; I30-S41 CarbonylContact O-C 3.6Å; I30-S41 WeakPolarHBondContact O-CA 3.35Å; I30-S41 WeakPolarHBondContact O-CB 3.14Å; I30-T42 HydrophobicContact CB-CG2 4.12Å; I30-T42 HydrophobicContact CG1-CG2 4.41Å; I30-T42 PolarHBondContact N-OG1 3.08Å; I30-T42 PolarHBondContact O-N 3.27Å; I30-W553 HydrophobicContact CD1-CH2 4.32Å; I30-W553 HydrophobicContact CD1-CZ3 3.88Å; I30-W553 HydrophobicContact CG2-CD2 4.21Å; I30-W553 HydrophobicContact CG2-CE3 3.6Å; I30-W553 HydrophobicContact CG2-CZ3 4Å; I30-I605 HydrophobicContact CD1-CD1 3.59Å; I30-I605 HydrophobicContact CD1-CG1 4.12Å; I30-P636 HydrophobicContact CD1-CB 4.22Å; I30-P636 HydrophobicContact CD1-CG 3.61Å; I30-P636 HydrophobicContact CG1-CB 3.95Å; I30-P636 HydrophobicContact CG1-CG 3.75Å; I30-L638 HydrophobicContact CD1-CD1 4.48Å; I30-V668 HydrophobicContact CD1-CG1 4.28Å; I30-V668 HydrophobicContact CD1-CG2 3.92Å; I30-L671 HydrophobicContact CB-CD1 4.43Å; I30-L671 HydrophobicContact CG2-CD1 4.39Å
31	V	97.9	Very high	88	Confident	0 Å²	0	31.5 Å²	31.5	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	124.5	173.2	179.8	0	0	0	0	107.5	V29 Y39 Q40 L520 L525 I550 Y551 L552 W553	V29-V31 HydrophobicContact CG1-CG2 4.19Å; V31-Y39 HydrophobicContact CG1-CD1 3.92Å; V31-Q40 CarbonylContact C-O 3.57Å; V31-Q40 VanDerWaalsContact CA-O 3.26Å; V31-Q40 WeakPolarHBondContact CA-O 3.5Å; V31-L520 HydrophobicContact CG1-CD1 4.5Å; V31-L520 HydrophobicContact CG1-CD2 4.5Å; V31-L520 HydrophobicContact CG2-CD2 4.07Å; V31-L525 HydrophobicContact CB-CD1 4.23Å; V31-L525 HydrophobicContact CG1-CD1 4.22Å; V31-L525 HydrophobicContact CG2-CD1 4.02Å; V31-I550 HydrophobicContact CB-CG2 4.42Å; V31-I550 HydrophobicContact CG2-CG2 3.44Å; V31-I550 VanDerWaalsContact CG2-CG2 3.44Å; V31-Y551 PolarHBondContact N-O 2.88Å; V31-L552 HydrophobicContact CB-CD1 4.22Å; V31-L552 HydrophobicContact CG1-CD1 3.83Å; V31-L552 CarbonylContact O-C 3.53Å; V31-L552 WeakPolarHBondContact O-CA 3.28Å; V31-W553 PolarHBondContact O-N 2.94Å
32	V	96.7	Very high	90.3	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	133.2	175.7	-169.8	0	0	0	0	108.7	I30 N34 Y39 Q40 W553 W555 L671 F672	I30-V32 HydrophobicContact CG2-CG2 4.34Å; V32-N34 VanDerWaalsContact CG1-OD1 3.3Å; V32-N34 WeakPolarHBondContact CG1-OD1 3.4Å; V32-Y39 WeakPolarHBondContact O-CA 3.49Å; V32-Q40 PolarHBondContact N-O 3Å; V32-Q40 PolarHBondContact O-N 3.22Å; V32-W553 WeakPolarHBondContact CA-O 3.35Å; V32-W555 HydrophobicContact CG1-CB 4.22Å; V32-L671 HydrophobicContact CB-CB 4.01Å; V32-L671 HydrophobicContact CG2-CB 3.52Å; V32-L671 HydrophobicContact CG2-CD1 3.91Å; V32-L671 HydrophobicContact CG2-CG 4.37Å; V32-F672 HydrophobicContact CG1-CD1 4.11Å; V32-F672 HydrophobicContact CG1-CE1 4.01Å; V32-F672 HydrophobicContact CG1-CZ 4.32Å; V32-F672 HydrophobicContact CG2-CD2 4.04Å; V32-F672 HydrophobicContact CG2-CE1 4.08Å; V32-F672 HydrophobicContact CG2-CE2 3.53Å; V32-F672 HydrophobicContact CG2-CG 4.5Å; V32-F672 HydrophobicContact CG2-CZ 3.54Å
33	K	95.3	Very high	92	Very high	81 Å²	81	29.6 Å²	29.6	35%	0.352	15%	0.15	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	114.5	168	-179.3	-170.7	172.6	-165.7	0	108.6	Y39 L552 W553 W555	K33-Y39 HydrophobicContact CB-CD1 4.3Å; K33-Y39 HydrophobicContact CB-CE1 4.01Å; K33-Y39 HydrophobicContact CD-CE1 4.41Å; K33-Y39 HydrophobicContact CG-CE1 4.14Å; K33-Y39 HydrophobicContact CG-CE2 4.23Å; K33-L552 HydrophobicContact CB-CD1 4.3Å; K33-W553 PolarHBondContact N-O 2.79Å; K33-W555 PolarHBondContact O-N 2.9Å
34	N	92.5	Very high	93.3	Very high	11 Å²	11	28.3 Å²	28.3	6%	0.059	14%	0.143	C	C	.	.			trans	-85.9	171.4	-173.9	-66.2	12.4	0	0	0	111.4	V32 D36 G37 E38 L671	V32-N34 VanDerWaalsContact CG1-OD1 3.3Å; V32-N34 WeakPolarHBondContact CG1-OD1 3.4Å; N34-D36 VanDerWaalsContact C-N 3.3Å; N34-D36 PolarHBondContact O-N 3.11Å; N34-G37 PolarHBondContact O-N 3Å; N34-E38 PolarHBondContact N-O 2.72Å; N34-L671 PolarHBondContact ND2-O 3.16Å; N34-L671 PolarHBondContact OD1-O 2.94Å
35	K	88.1	Confident	93.8	Very high	82 Å²	82	28.8 Å²	28.8	36%	0.357	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.6	-45.6	-175.8	-70.1	-179.7	-178.4	-178.2	0	112.6	G37 W555 D674	K35-G37 PolarHBondContact O-N 2.85Å; K35-G37 VanDerWaalsContact O-N 3.12Å; K35-W555 HydrophobicContact CD-CD2 4.38Å; K35-W555 HydrophobicContact CD-CZ2 4.41Å; K35-W555 VanDerWaalsContact CE-CE3 3.47Å; K35-W555 VanDerWaalsContact CE-CH2 3.43Å; K35-W555 HydrophobicContact CG-CD2 3.7Å; K35-W555 HydrophobicContact CG-CE3 4.32Å; K35-W555 HydrophobicContact CG-CG 3.97Å; K35-W555 HydrophobicContact CG-CZ2 4.06Å; K35-D674 WeakPolarHBondContact CE-OD2 3.46Å; K35-D674 IonicContact NZ-OD1 2.71Å; K35-D674 PolarHBondContact NZ-OD1 3.16Å; K35-D674 IonicContact NZ-OD2 2.62Å; K35-D674 PolarHBondContact NZ-OD2 3.41Å
36	D	89	Confident	93.9	Very high	128 Å²	128	28.8 Å²	28.8	68%	0.684	14%	0.139	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.1	-5.9	177.5	-77.5	-0.7	0	0	0	114.4	N34 E38	N34-D36 VanDerWaalsContact C-N 3.3Å; N34-D36 PolarHBondContact O-N 3.11Å; D36-E38 VanDerWaalsContact C-N 3.28Å; D36-E38 PolarHBondContact O-N 2.83Å
37	G	90.3	Very high	93.6	Very high	16 Å²	16	29.4 Å²	29.4	17%	0.165	14%	0.142	C	C	.	.	S	Bend	trans	78.7	11.4	-178.7	0	0	0	0	0	114.6	N34 K35 Y39 K521	N34-G37 PolarHBondContact O-N 3Å; K35-G37 PolarHBondContact O-N 2.85Å; K35-G37 VanDerWaalsContact O-N 3.12Å; G37-Y39 WeakPolarHBondContact O-CD2 3.4Å; G37-Y39 WeakPolarHBondContact O-CE2 3.25Å; G37-K521 PolarHBondContact O-NZ 3.04Å; G37-K521 VanDerWaalsContact O-NZ 3.13Å
38	E	93.2	Very high	93.1	Very high	97 Å²	97	29.5 Å²	29.5	45%	0.453	14%	0.142	S	C	.	.			trans	-77.1	155.3	163.9	-72.6	-58.3	105.3	0	0	111.5	N34 D36 S517	N34-E38 PolarHBondContact N-O 2.72Å; D36-E38 VanDerWaalsContact C-N 3.28Å; D36-E38 PolarHBondContact O-N 2.83Å; E38-S517 VanDerWaalsContact CD-OG 3.24Å; E38-S517 WeakPolarHBondContact OE2-CB 3.15Å; E38-S517 PolarHBondContact OE2-OG 3.26Å
39	Y	95.2	Very high	91.9	Very high	39 Å²	39	29.9 Å²	29.9	15%	0.153	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	130.3	-175.7	-70.6	-107.2	0	0	0	110.5	V31 V32 K33 G37 S517 L520 K521 L552	V31-Y39 HydrophobicContact CG1-CD1 3.92Å; V32-Y39 WeakPolarHBondContact O-CA 3.49Å; K33-Y39 HydrophobicContact CB-CD1 4.3Å; K33-Y39 HydrophobicContact CB-CE1 4.01Å; K33-Y39 HydrophobicContact CD-CE1 4.41Å; K33-Y39 HydrophobicContact CG-CE1 4.14Å; K33-Y39 HydrophobicContact CG-CE2 4.23Å; G37-Y39 WeakPolarHBondContact O-CD2 3.4Å; G37-Y39 WeakPolarHBondContact O-CE2 3.25Å; Y39-S517 PolarHBondContact N-OG 3.2Å; Y39-S517 WeakPolarHBondContact O-CA 3.25Å; Y39-S517 WeakPolarHBondContact O-CB 3.38Å; Y39-L520 HydrophobicContact CG-CB 4.44Å; Y39-K521 HydrophobicContact CD2-CB 3.98Å; Y39-K521 HydrophobicContact CD2-CD 4.14Å; Y39-K521 HydrophobicContact CD2-CG 4.16Å; Y39-K521 HydrophobicContact CE2-CB 4.04Å; Y39-K521 HydrophobicContact CE2-CD 3.88Å; Y39-K521 HydrophobicContact CE2-CG 3.75Å; Y39-L552 HydrophobicContact CD1-CD1 4.05Å; Y39-L552 HydrophobicContact CE1-CD1 3.79Å
40	Q	94.7	Very high	90.2	Very high	69 Å²	69	34.4 Å²	34.4	32%	0.322	17%	0.165	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	153.8	171.3	-56.4	-166.6	20.7	0	0	110.1	V31 V32 N670 L671	V31-Q40 CarbonylContact C-O 3.57Å; V31-Q40 VanDerWaalsContact CA-O 3.26Å; V31-Q40 WeakPolarHBondContact CA-O 3.5Å; V32-Q40 PolarHBondContact N-O 3Å; V32-Q40 PolarHBondContact O-N 3.22Å; Q40-N670 PolarHBondContact OE1-O 3.23Å; Q40-L671 HydrophobicContact CB-CB 4.49Å; Q40-L671 HydrophobicContact CB-CD2 3.99Å
41	S	95.8	Very high	87.9	Confident	3 Å²	3	39.5 Å²	39.5	2%	0.021	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	167.6	-179.8	76.2	0	0	0	0	113.2	I30 R514 L671	I30-S41 CarbonylContact O-C 3.6Å; I30-S41 WeakPolarHBondContact O-CA 3.35Å; I30-S41 WeakPolarHBondContact O-CB 3.14Å; S41-R514 PolarHBondContact O-NH1 3.12Å; S41-L671 WeakPolarHBondContact O-CD2 3.46Å
42	T	94.5	Very high	85.4	Confident	5 Å²	5	41.5 Å²	41.5	3%	0.031	21%	0.211	C	C	.	.			trans	-73.3	171.3	154	53.2	0	0	0	0	110.6	V29 I30 V668 L671	V29-T42 WeakPolarHBondContact CA-OG1 2.89Å; I30-T42 HydrophobicContact CB-CG2 4.12Å; I30-T42 HydrophobicContact CG1-CG2 4.41Å; I30-T42 PolarHBondContact N-OG1 3.08Å; I30-T42 PolarHBondContact O-N 3.27Å; T42-V668 HydrophobicContact CG2-CG2 3.68Å; T42-L671 HydrophobicContact CG2-CD1 4.08Å
43	P	93.1	Very high	82.9	Confident	8 Å²	8	42.9 Å²	42.9	5%	0.052	22%	0.219	C	C	.	.			trans	-70.5	143.3	175.6	-13.2	28.1	0	0	0	112.4	Y45 N513 R514 E667	P43-Y45 HydrophobicContact CB-CD2 4.04Å; P43-Y45 HydrophobicContact CB-CE1 4.4Å; P43-Y45 HydrophobicContact CB-CE2 3.63Å; P43-Y45 HydrophobicContact CG-CE2 3.71Å; P43-Y45 PolarHBondContact O-N 3.13Å; P43-N513 CarbonylContact C-O 3.55Å; P43-N513 VanDerWaalsContact CA-O 3.27Å; P43-N513 WeakPolarHBondContact CA-O 3.42Å; P43-N513 HydrophobicContact CB-CB 4.16Å; P43-R514 HydrophobicContact CB-CG 4.36Å; P43-E667 WeakPolarHBondContact CD-OE2 3.37Å; P43-E667 VanDerWaalsContact CG-OE1 3.3Å; P43-E667 WeakPolarHBondContact CG-OE1 3.39Å; P43-E667 WeakPolarHBondContact CG-OE2 3.46Å
44	F	93.9	Very high	80.5	Confident	5 Å²	5	45.9 Å²	45.9	2%	0.022	24%	0.239	C	C	.	.			trans	-78.9	81.9	171.5	-74.3	-106.1	0	0	0	109.8	V29 V46 F85 N513 L515 L520 F534 I550	V29-F44 HydrophobicContact CG1-CD2 4.29Å; V29-F44 HydrophobicContact CG1-CE1 4.48Å; V29-F44 HydrophobicContact CG1-CE2 3.87Å; V29-F44 HydrophobicContact CG1-CZ 3.98Å; V29-F44 HydrophobicContact CG2-CD1 3.84Å; V29-F44 HydrophobicContact CG2-CD2 4.26Å; V29-F44 HydrophobicContact CG2-CE1 4.04Å; V29-F44 HydrophobicContact CG2-CE2 4.44Å; V29-F44 HydrophobicContact CG2-CG 3.96Å; V29-F44 HydrophobicContact CG2-CZ 4.33Å; F44-V46 PolarHBondContact O-N 3.1Å; F44-F85 HydrophobicContact CB-CE2 3.71Å; F44-F85 HydrophobicContact CB-CZ 3.83Å; F44-F85 HydrophobicContact CD1-CE2 4.32Å; F44-F85 AromaticContact CD1-CZ 3.8Å; F44-F85 HydrophobicContact CD1-CZ 3.8Å; F44-F85 AromaticContact CD2-CE2 3.69Å; F44-F85 HydrophobicContact CD2-CE2 3.69Å; F44-F85 AromaticContact CD2-CZ 3.98Å; F44-F85 HydrophobicContact CD2-CZ 3.98Å; F44-F85 HydrophobicContact CE1-CZ 4.33Å; F44-F85 HydrophobicContact CE2-CE2 4.39Å; F44-F85 HydrophobicContact CE2-CZ 4.49Å; F44-F85 AromaticContact CG-CE2 3.65Å; F44-F85 HydrophobicContact CG-CE2 3.65Å; F44-F85 AromaticContact CG-CZ 3.6Å; F44-F85 HydrophobicContact CG-CZ 3.6Å; F44-N513 PolarHBondContact N-O 3.28Å; F44-L515 HydrophobicContact CE1-CD1 4.48Å; F44-L515 HydrophobicContact CE2-CD1 4.04Å; F44-L515 HydrophobicContact CE2-CG 4.12Å; F44-L515 HydrophobicContact CZ-CD1 3.83Å; F44-L515 HydrophobicContact CZ-CG 4.4Å; F44-L520 HydrophobicContact CE2-CD2 4.31Å; F44-L520 HydrophobicContact CZ-CD2 4.37Å; F44-F534 HydrophobicContact CD1-CZ 4.07Å; F44-I550 HydrophobicContact CE1-CD1 3.81Å; F44-I550 HydrophobicContact CE1-CG1 4.34Å; F44-I550 HydrophobicContact CZ-CD1 4.13Å
45	Y	92.2	Very high	78.5	Confident	49 Å²	49	48 Å²	48	19%	0.192	25%	0.246	C	C	.	.			trans	-78.1	105.2	171.4	-64.7	-70.9	0	0	0	110.3	A26 I27 P43 I612 P641	A26-Y45 WeakPolarHBondContact CA-O 3.39Å; I27-Y45 HydrophobicContact CD1-CD2 4.09Å; I27-Y45 HydrophobicContact CD1-CG 4.17Å; I27-Y45 PolarHBondContact N-O 2.8Å; P43-Y45 HydrophobicContact CB-CD2 4.04Å; P43-Y45 HydrophobicContact CB-CE1 4.4Å; P43-Y45 HydrophobicContact CB-CE2 3.63Å; P43-Y45 HydrophobicContact CG-CE2 3.71Å; P43-Y45 PolarHBondContact O-N 3.13Å; Y45-I612 WeakPolarHBondContact O-CD1 3.3Å; Y45-P641 HydrophobicContact CD1-CB 3.45Å; Y45-P641 VanDerWaalsContact CD1-CB 3.45Å; Y45-P641 HydrophobicContact CD1-CG 4.34Å; Y45-P641 HydrophobicContact CD2-CB 4.18Å; Y45-P641 HydrophobicContact CE1-CB 3.66Å; Y45-P641 HydrophobicContact CE1-CG 4.05Å; Y45-P641 HydrophobicContact CE2-CB 4.35Å; Y45-P641 HydrophobicContact CG-CB 3.72Å
46	V	91.2	Very high	76.2	Confident	3 Å²	3	48.5 Å²	48.5	2%	0.018	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	135	178.4	178.7	0	0	0	0	109.1	A26 F44 F48 M75 A83 F534	A26-V46 HydrophobicContact CB-CG2 4.08Å; F44-V46 PolarHBondContact O-N 3.1Å; V46-F48 HydrophobicContact CG1-CE2 3.84Å; V46-F48 HydrophobicContact CG1-CZ 4.32Å; V46-M75 HydrophobicContact CB-CE 3.73Å; V46-M75 HydrophobicContact CG1-CE 4.15Å; V46-M75 HydrophobicContact CG2-CE 3.8Å; V46-A83 HydrophobicContact CB-CB 4.38Å; V46-A83 HydrophobicContact CG1-CB 4.3Å; V46-A83 PolarHBondContact O-N 3.13Å; V46-F534 HydrophobicContact CG1-CB 4Å; V46-F534 HydrophobicContact CG1-CD1 4.39Å; V46-F534 HydrophobicContact CG1-CD2 4.2Å; V46-F534 HydrophobicContact CG1-CG 3.93Å; V46-F534 HydrophobicContact CG2-CD1 4.17Å; V46-F534 HydrophobicContact CG2-CD2 3.88Å; V46-F534 HydrophobicContact CG2-CE1 4.07Å; V46-F534 HydrophobicContact CG2-CE2 3.79Å; V46-F534 HydrophobicContact CG2-CG 4.09Å; V46-F534 HydrophobicContact CG2-CZ 3.89Å
47	R	86.7	Confident	74.3	Confident	15 Å²	15	53.1 Å²	53.1	6%	0.057	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	133.1	-179.7	-166.9	-174.4	-173.5	-106	-1.9	112.6	A21 L23 T24 G25 T80 G81 Y82 I612 S643	A21-R47 PolarHBondContact O-NH1 2.92Å; L23-R47 PolarHBondContact O-NH1 2.76Å; T24-R47 CarbonylContact C-O 3.58Å; T24-R47 VanDerWaalsContact CA-O 3.3Å; T24-R47 WeakPolarHBondContact CA-O 3.5Å; G25-R47 PolarHBondContact N-O 3.41Å; G25-R47 PolarHBondContact O-N 2.87Å; R47-T80 PolarHBondContact NH2-O 3.31Å; R47-T80 VanDerWaalsContact NH2-O 3.17Å; R47-G81 CarbonylContact C-O 3.59Å; R47-G81 WeakPolarHBondContact CA-O 3.4Å; R47-G81 WeakPolarHBondContact CG-O 3.36Å; R47-Y82 HydrophobicContact CB-CD1 3.89Å; R47-Y82 HydrophobicContact CB-CE1 4.18Å; R47-Y82 HydrophobicContact CG-CD1 3.77Å; R47-Y82 HydrophobicContact CG-CE1 3.96Å; R47-Y82 HydrophobicContact CG-CG 4.38Å; R47-I612 HydrophobicContact CB-CD1 4Å; R47-I612 HydrophobicContact CB-CG2 4.45Å; R47-S643 WeakPolarHBondContact CD-OG 3.45Å; R47-S643 PolarHBondContact NE-OG 3.12Å
48	F	83	Confident	72.8	Confident	7 Å²	7	55.4 Å²	55.4	3%	0.031	28%	0.279	C	S	.	.			trans	-103.4	147.1	170.9	-63.5	-86.8	0	0	0	111.7	T24 V46 V61 V77 G81 A83 F534 V536 C544	T24-F48 HydrophobicContact CG2-CD1 4.01Å; V46-F48 HydrophobicContact CG1-CE2 3.84Å; V46-F48 HydrophobicContact CG1-CZ 4.32Å; F48-V61 HydrophobicContact CE2-CG1 4.08Å; F48-V61 HydrophobicContact CE2-CG2 3.99Å; F48-V61 HydrophobicContact CZ-CG1 4.01Å; F48-V77 HydrophobicContact CB-CG1 4.4Å; F48-V77 HydrophobicContact CD2-CG1 4.22Å; F48-V77 HydrophobicContact CD2-CG2 3.73Å; F48-V77 HydrophobicContact CE2-CG2 4.11Å; F48-G81 PolarHBondContact N-O 2.84Å; F48-G81 WeakPolarHBondContact O-CA 3.42Å; F48-A83 HydrophobicContact CD2-CB 4.38Å; F48-A83 HydrophobicContact CE2-CB 4.24Å; F48-F534 HydrophobicContact CZ-CB 3.85Å; F48-V536 HydrophobicContact CD1-CB 4.25Å; F48-V536 HydrophobicContact CD1-CG2 4.03Å; F48-V536 HydrophobicContact CD2-CG2 3.92Å; F48-V536 HydrophobicContact CE1-CB 4.11Å; F48-V536 HydrophobicContact CE1-CG2 3.7Å; F48-V536 HydrophobicContact CE2-CG2 3.59Å; F48-V536 HydrophobicContact CG-CG2 4.13Å; F48-V536 HydrophobicContact CZ-CB 4.37Å; F48-V536 HydrophobicContact CZ-CG2 3.48Å; F48-V536 VanDerWaalsContact CZ-CG2 3.48Å; F48-C544 HydrophobicContact CD1-CB 4.26Å
49	G	72	Confident	71.7	Confident	9 Å²	9	52.6 Å²	52.6	9%	0.093	27%	0.266	C	S	.	.			trans	-71.5	152.9	-178	0	0	0	0	0	114.5	A21 N22 T24	A21-G49 WeakPolarHBondContact O-CA 3.3Å; N22-G49 VanDerWaalsContact C-CA 3.48Å; N22-G49 VanDerWaalsContact O-CA 3.25Å; N22-G49 WeakPolarHBondContact O-CA 3.31Å; T24-G49 WeakPolarHBondContact OG1-CA 3.45Å; T24-G49 PolarHBondContact OG1-N 2.9Å
50	K	60.4	Low	71.2	Confident	95 Å²	95	54.9 Å²	54.9	41%	0.413	28%	0.284	S	S	.	.			trans	-92.2	-10.3	-174.8	-83.1	-162.5	171.7	-156.9	0	117.3	A21 G52 P79 T80	A21-K50 HydrophobicContact CB-CB 4.03Å; A21-K50 PolarHBondContact O-N 2.98Å; K50-G52 PolarHBondContact O-N 3.2Å; K50-P79 WeakPolarHBondContact CE-O 3.29Å; K50-P79 PolarHBondContact NZ-O 3.05Å; K50-T80 VanDerWaalsContact CE-C 3.48Å; K50-T80 VanDerWaalsContact CE-O 3.26Å; K50-T80 WeakPolarHBondContact CE-O 3.41Å
51	M	49.7	Very low	70.9	Confident	108 Å²	108	51.7 Å²	51.7	53%	0.532	27%	0.269	S	S	.	.	S	Bend	trans	-59.7	142.9	169.7	-114.3	176	29.4	0	0	109.9	N22 V53 Q541	N22-M51 PolarHBondContact ND2-SD 2.62Å; N22-M51 WeakPolarHBondContact OD1-CB 3.25Å; N22-M51 VanDerWaalsContact OD1-CG 3.31Å; N22-M51 WeakPolarHBondContact OD1-CG 3.48Å; N22-M51 PolarHBondContact OD1-N 3.49Å; M51-V53 PolarHBondContact O-N 2.78Å; M51-Q541 VanDerWaalsContact O-CD 3.32Å; M51-Q541 PolarHBondContact O-NE2 2.82Å; M51-Q541 PolarHBondContact O-OE1 2.88Å
52	G	46.6	Very low	70.7	Confident	42 Å²	42	56.2 Å²	56.2	43%	0.433	29%	0.293	S	S	.	.	S	Bend	trans	73.8	-21.8	168.6	0	0	0	0	0	117.8	K50 L54	K50-G52 PolarHBondContact O-N 3.2Å; G52-L54 PolarHBondContact O-N 2.92Å
53	V	44.4	Very low	70.7	Confident	28 Å²	28	56.4 Å²	56.4	17%	0.17	29%	0.294	C	S	.	.			trans	-81.7	89.6	-179.1	-166.4	0	0	0	0	111.2	M51 Y55	M51-V53 PolarHBondContact O-N 2.78Å; V53-Y55 HydrophobicContact CB-CD2 3.88Å; V53-Y55 HydrophobicContact CB-CE2 3.61Å; V53-Y55 HydrophobicContact CG1-CD1 3.86Å; V53-Y55 HydrophobicContact CG1-CD2 3.51Å; V53-Y55 HydrophobicContact CG1-CE1 3.86Å; V53-Y55 HydrophobicContact CG1-CE2 3.5Å; V53-Y55 VanDerWaalsContact CG1-CE2 3.5Å; V53-Y55 HydrophobicContact CG1-CG 3.68Å; V53-Y55 HydrophobicContact CG2-CE2 4.47Å; V53-Y55 VanDerWaalsContact O-CD2 3.24Å; V53-Y55 WeakPolarHBondContact O-CD2 3.44Å; V53-Y55 PolarHBondContact O-N 3.31Å
54	L	45.2	Very low	70.8	Confident	144 Å²	144	57.5 Å²	57.5	75%	0.754	30%	0.302	S	S	*	.			trans	-69.9	78.7	158.9	-76.6	169.7	0	0	0	109.2	G52 P56	G52-L54 PolarHBondContact O-N 2.92Å; L54-P56 WeakPolarHBondContact O-CD 3Å; L54-P56 VanDerWaalsContact O-N 3.08Å
55	Y	48.7	Very low	70.9	Confident	55 Å²	55	57.6 Å²	57.6	22%	0.216	30%	0.302	C	S	.	.			trans	-50.3	104	-172.1	-83.7	-88.3	0	0	0	113.9	V53 R57 V77 E78	V53-Y55 HydrophobicContact CB-CD2 3.88Å; V53-Y55 HydrophobicContact CB-CE2 3.61Å; V53-Y55 HydrophobicContact CG1-CD1 3.86Å; V53-Y55 HydrophobicContact CG1-CD2 3.51Å; V53-Y55 HydrophobicContact CG1-CE1 3.86Å; V53-Y55 HydrophobicContact CG1-CE2 3.5Å; V53-Y55 VanDerWaalsContact CG1-CE2 3.5Å; V53-Y55 HydrophobicContact CG1-CG 3.68Å; V53-Y55 HydrophobicContact CG2-CE2 4.47Å; V53-Y55 VanDerWaalsContact O-CD2 3.24Å; V53-Y55 WeakPolarHBondContact O-CD2 3.44Å; V53-Y55 PolarHBondContact O-N 3.31Å; Y55-R57 PolarHBondContact O-N 3.44Å; Y55-V77 HydrophobicContact CE1-CB 4.41Å; Y55-V77 HydrophobicContact CE1-CG1 4.13Å; Y55-V77 WeakPolarHBondContact OH-CG1 3.33Å; Y55-E78 VanDerWaalsContact CE1-O 3.23Å; Y55-E78 WeakPolarHBondContact CE1-O 3.31Å; Y55-E78 PolarHBondContact OH-O 2.81Å
56	P	40	Very low	71.1	Confident	94 Å²	94	57.7 Å²	57.7	61%	0.61	31%	0.306	S	S	*	.			trans	-103.3	64.9	-177.9	34.2	-18.1	0	0	0	109.9	L54 H59	L54-P56 WeakPolarHBondContact O-CD 3Å; L54-P56 VanDerWaalsContact O-N 3.08Å; P56-H59 VanDerWaalsContact CD-NE2 3.28Å; P56-H59 WeakPolarHBondContact CD-NE2 3.31Å
57	R	49.2	Very low	71.1	Confident	225 Å²	225	60 Å²	60	85%	0.849	33%	0.33	S	S	*	.	S	Bend	trans	67.9	175.6	-160.4	-60.8	179.8	165.4	85.7	-2.1	112.6	Y55	Y55-R57 PolarHBondContact O-N 3.44Å
58	S	58.7	Low	71.5	Confident	63 Å²	63	65.4 Å²	65.4	44%	0.441	36%	0.356	S	S	.	.	P	Polyproline II helix	trans	-63.4	133.8	-169.4	49.8	0	0	0	0	112.5
59	H	71.6	Confident	72.1	Confident	39 Å²	39	69.6 Å²	69.6	18%	0.181	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	131.2	171.4	-76.4	-76.1	0	0	0	109.7	P56 H76 V77 V536	P56-H59 VanDerWaalsContact CD-NE2 3.28Å; P56-H59 WeakPolarHBondContact CD-NE2 3.31Å; H59-H76 CarbonylContact O-C 3.58Å; H59-H76 WeakPolarHBondContact O-CA 3.26Å; H59-V77 HydrophobicContact CB-CG2 4.5Å; H59-V77 PolarHBondContact O-N 2.86Å; H59-V536 HydrophobicContact CB-CG1 3.93Å
60	V	83.8	Confident	73.1	Confident	86 Å²	86	70.7 Å²	70.7	52%	0.521	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	142.6	170.5	-178.2	0	0	0	0	109.3	M75	V60-M75 CarbonylContact C-O 3.58Å; V60-M75 WeakPolarHBondContact CA-O 3.44Å
61	V	88.5	Confident	74.5	Confident	3 Å²	3	71.8 Å²	71.8	2%	0.018	40%	0.402	C	S	.	.	P	Polyproline II helix	trans	-102.9	121.3	175.6	-176.2	0	0	0	0	108.8	F48 V63 M75 V77 A83 F534 S535 V536	F48-V61 HydrophobicContact CE2-CG1 4.08Å; F48-V61 HydrophobicContact CE2-CG2 3.99Å; F48-V61 HydrophobicContact CZ-CG1 4.01Å; V61-V63 PolarHBondContact O-N 3.39Å; V61-M75 HydrophobicContact CB-CB 4.05Å; V61-M75 HydrophobicContact CB-CG 4.05Å; V61-M75 HydrophobicContact CB-SD 4.36Å; V61-M75 HydrophobicContact CG1-SD 4.21Å; V61-M75 HydrophobicContact CG2-CG 4.13Å; V61-M75 PolarHBondContact N-O 3.4Å; V61-V77 HydrophobicContact CG2-CG2 3.51Å; V61-A83 HydrophobicContact CG2-CB 4.09Å; V61-F534 HydrophobicContact CG1-CB 3.79Å; V61-F534 HydrophobicContact CG1-CD1 4.21Å; V61-S535 CarbonylContact C-O 3.35Å; V61-S535 WeakPolarHBondContact CA-O 3.44Å; V61-V536 HydrophobicContact CB-CG2 4.26Å; V61-V536 HydrophobicContact CG1-CG2 4.28Å; V61-V536 HydrophobicContact CG2-CG2 3.78Å
62	D	91	Very high	76.4	Confident	97 Å²	97	70.3 Å²	70.3	52%	0.519	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	117.7	169.5	-63.3	-55.3	0	0	0	109.3	S535	D62-S535 PolarHBondContact N-O 3.18Å; D62-S535 PolarHBondContact O-N 3.33Å
63	V	94	Very high	78.4	Confident	9 Å²	9	68.7 Å²	68.7	6%	0.055	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	132.8	177.7	-175.4	0	0	0	0	110.1	V61 I65 R70 I73 M75 F534	V61-V63 PolarHBondContact O-N 3.39Å; V63-I65 HydrophobicContact CG1-CD1 3.99Å; V63-I65 HydrophobicContact CG1-CG1 4.2Å; V63-R70 HydrophobicContact CB-CB 4.27Å; V63-R70 HydrophobicContact CG1-CB 4.31Å; V63-R70 PolarHBondContact O-N 3.41Å; V63-I73 HydrophobicContact CG2-CG2 4.23Å; V63-M75 HydrophobicContact CG2-CB 4.26Å; V63-M75 HydrophobicContact CG2-SD 4.04Å; V63-F534 HydrophobicContact CG1-CD1 4.42Å; V63-F534 HydrophobicContact CG1-CE1 4.09Å; V63-F534 HydrophobicContact CG2-CD1 4.09Å; V63-F534 HydrophobicContact CG2-CE1 4.25Å
64	C	95.8	Very high	80.5	Confident	31 Å²	31	70.6 Å²	70.6	21%	0.209	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	123.5	177.5	-174.2	0	0	0	0	110.4	G67 Q68 V533	C64-G67 VanDerWaalsContact SG-CA 3.59Å; C64-Q68 WeakPolarHBondContact CA-O 3.48Å; C64-V533 HydrophobicContact CB-CB 4.44Å; C64-V533 PolarHBondContact N-O 3.22Å; C64-V533 PolarHBondContact O-N 3.34Å
65	I	96.6	Very high	82.6	Confident	7 Å²	7	63.7 Å²	63.7	4%	0.036	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	125.5	-175.9	-54.1	-59	0	0	0	109.3	V63 G67 Q68 R70 L523 L525 E531 A532 I550	V63-I65 HydrophobicContact CG1-CD1 3.99Å; V63-I65 HydrophobicContact CG1-CG1 4.2Å; I65-G67 PolarHBondContact O-N 3.08Å; I65-G67 VanDerWaalsContact O-N 3.13Å; I65-Q68 PolarHBondContact N-O 3.45Å; I65-Q68 WeakPolarHBondContact O-CB 3.18Å; I65-Q68 PolarHBondContact O-N 2.95Å; I65-R70 HydrophobicContact CB-CG 4.24Å; I65-R70 HydrophobicContact CG1-CG 3.82Å; I65-L523 HydrophobicContact CG1-CD2 4.09Å; I65-L525 HydrophobicContact CG2-CD2 4.08Å; I65-E531 CarbonylContact C-O 3.52Å; I65-E531 WeakPolarHBondContact CA-O 3.21Å; I65-A532 HydrophobicContact CD1-CB 3.52Å; I65-I550 HydrophobicContact CD1-CD1 3.76Å
66	N	95.2	Very high	84.5	Confident	52 Å²	52	62.3 Å²	62.3	28%	0.278	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.4	33.4	-174.6	-64.2	-38.1	0	0	0	113.6	Q68 H526 N530 E531	N66-Q68 VanDerWaalsContact C-N 3.3Å; N66-Q68 PolarHBondContact O-N 2.84Å; N66-H526 PolarHBondContact ND2-ND1 3.49Å; N66-N530 PolarHBondContact ND2-OD1 3.03Å; N66-N530 VanDerWaalsContact OD1-CA 3.29Å; N66-N530 WeakPolarHBondContact OD1-CA 3.48Å; N66-N530 WeakPolarHBondContact OD1-CB 3.37Å; N66-E531 PolarHBondContact N-O 2.74Å; N66-E531 PolarHBondContact OD1-N 3.36Å
67	G	92.8	Very high	86.5	Confident	50 Å²	50	57.9 Å²	57.9	52%	0.515	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.7	7	-175.6	0	0	0	0	0	115.4	C64 I65	C64-G67 VanDerWaalsContact SG-CA 3.59Å; I65-G67 PolarHBondContact O-N 3.08Å; I65-G67 VanDerWaalsContact O-N 3.13Å
68	Q	94.8	Very high	87.8	Confident	130 Å²	130	49.4 Å²	49.4	61%	0.607	29%	0.292	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.6	120.4	173	-57.5	-55.5	-55.7	0	0	110.6	C64 I65 N66	C64-Q68 WeakPolarHBondContact CA-O 3.48Å; I65-Q68 PolarHBondContact N-O 3.45Å; I65-Q68 WeakPolarHBondContact O-CB 3.18Å; I65-Q68 PolarHBondContact O-N 2.95Å; N66-Q68 VanDerWaalsContact C-N 3.3Å; N66-Q68 PolarHBondContact O-N 2.84Å
69	P	94.7	Very high	88.5	Confident	95 Å²	95	50.5 Å²	50.5	62%	0.617	30%	0.298	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-60.9	141.5	173.2	-23.4	34.3	0	0	0	112.3	P71	P69-P71 VanDerWaalsContact C-CD 3.42Å; P69-P71 VanDerWaalsContact O-CD 3.24Å; P69-P71 WeakPolarHBondContact O-CD 3.32Å
70	R	94.3	Very high	88.6	Confident	31 Å²	31	51.1 Å²	51.1	12%	0.117	31%	0.305	C	S	.	.			trans	-118	70.5	-178.3	-61.1	-50.7	-55.5	-126.2	-8.4	111.9	V63 I65 D72 I73 S522 L523	V63-R70 HydrophobicContact CB-CB 4.27Å; V63-R70 HydrophobicContact CG1-CB 4.31Å; V63-R70 PolarHBondContact O-N 3.41Å; I65-R70 HydrophobicContact CB-CG 4.24Å; I65-R70 HydrophobicContact CG1-CG 3.82Å; R70-D72 WeakPolarHBondContact CA-OD1 3.38Å; R70-D72 IonicContact CZ-OD1 3.54Å; R70-D72 IonicContact CZ-OD2 3.01Å; R70-D72 IonicContact NE-OD1 3.48Å; R70-D72 PolarHBondContact NE-OD1 2.91Å; R70-D72 IonicContact NE-OD2 3.62Å; R70-D72 IonicContact NH2-OD1 3.79Å; R70-D72 PolarHBondContact NH2-OD1 2.98Å; R70-D72 IonicContact NH2-OD2 2.73Å; R70-D72 PolarHBondContact NH2-OD2 3.35Å; R70-D72 PolarHBondContact O-N 3.49Å; R70-D72 VanDerWaalsContact O-N 3.13Å; R70-I73 HydrophobicContact CB-CB 4.45Å; R70-I73 HydrophobicContact CB-CD1 4.17Å; R70-I73 HydrophobicContact CB-CG1 4.33Å; R70-I73 PolarHBondContact O-N 3.41Å; R70-I73 VanDerWaalsContact O-N 3.1Å; R70-S522 PolarHBondContact NH1-O 3.47Å; R70-S522 PolarHBondContact NH2-O 2.92Å; R70-S522 PolarHBondContact NH2-OG 2.92Å; R70-L523 PolarHBondContact NH1-O 3.03Å
71	P	89.7	Confident	88.4	Confident	118 Å²	118	47 Å²	47	77%	0.766	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.6	-5.6	177.8	32.6	-37.7	0	0	0	113.2	P69 I73	P69-P71 VanDerWaalsContact C-CD 3.42Å; P69-P71 VanDerWaalsContact O-CD 3.24Å; P69-P71 WeakPolarHBondContact O-CD 3.32Å; P71-I73 VanDerWaalsContact C-N 3.3Å
72	D	88.8	Confident	88.2	Confident	78 Å²	78	49.5 Å²	49.5	42%	0.417	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.5	-3.8	171.7	64.4	-58.3	0	0	0	113.6	R70 S522	R70-D72 WeakPolarHBondContact CA-OD1 3.38Å; R70-D72 IonicContact CZ-OD1 3.54Å; R70-D72 IonicContact CZ-OD2 3.01Å; R70-D72 IonicContact NE-OD1 3.48Å; R70-D72 PolarHBondContact NE-OD1 2.91Å; R70-D72 IonicContact NE-OD2 3.62Å; R70-D72 IonicContact NH2-OD1 3.79Å; R70-D72 PolarHBondContact NH2-OD1 2.98Å; R70-D72 IonicContact NH2-OD2 2.73Å; R70-D72 PolarHBondContact NH2-OD2 3.35Å; R70-D72 PolarHBondContact O-N 3.49Å; R70-D72 VanDerWaalsContact O-N 3.13Å; D72-S522 PolarHBondContact OD2-OG 2.81Å
73	I	89.4	Confident	88.1	Confident	7 Å²	7	45.1 Å²	45.1	4%	0.036	27%	0.266	C	S	.	.	S	Bend	trans	-116.8	95.7	179.7	-60.7	-179.9	0	0	0	109.3	V63 R70 P71 M75 F85 L515 L523	V63-I73 HydrophobicContact CG2-CG2 4.23Å; R70-I73 HydrophobicContact CB-CB 4.45Å; R70-I73 HydrophobicContact CB-CD1 4.17Å; R70-I73 HydrophobicContact CB-CG1 4.33Å; R70-I73 PolarHBondContact O-N 3.41Å; R70-I73 VanDerWaalsContact O-N 3.1Å; P71-I73 VanDerWaalsContact C-N 3.3Å; I73-M75 PolarHBondContact O-N 3Å; I73-F85 HydrophobicContact CG2-CD1 3.67Å; I73-F85 HydrophobicContact CG2-CE1 3.56Å; I73-L515 HydrophobicContact CD1-CD1 4.13Å; I73-L515 HydrophobicContact CG2-CD2 4.09Å; I73-L523 HydrophobicContact CD1-CD2 3.42Å; I73-L523 VanDerWaalsContact CD1-CD2 3.42Å
74	C	88	Confident	87.9	Confident	68 Å²	68	46.3 Å²	46.3	46%	0.459	27%	0.27	S	S	.	.			trans	-75.3	120.8	174.8	-68.1	0	0	0	0	110.8	F85 D86	C74-F85 WeakPolarHBondContact O-CA 3.45Å; C74-D86 HydrophobicContact CB-CB 3.96Å; C74-D86 PolarHBondContact O-N 3.22Å
75	M	90.2	Very high	87.7	Confident	0 Å²	0	45.2 Å²	45.2	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	140.4	-178.5	-173.9	176.9	-173.1	0	0	109.3	V46 V60 V61 V63 I73 A83 Y84 F85 F534	V46-M75 HydrophobicContact CB-CE 3.73Å; V46-M75 HydrophobicContact CG1-CE 4.15Å; V46-M75 HydrophobicContact CG2-CE 3.8Å; V60-M75 CarbonylContact C-O 3.58Å; V60-M75 WeakPolarHBondContact CA-O 3.44Å; V61-M75 HydrophobicContact CB-CB 4.05Å; V61-M75 HydrophobicContact CB-CG 4.05Å; V61-M75 HydrophobicContact CB-SD 4.36Å; V61-M75 HydrophobicContact CG1-SD 4.21Å; V61-M75 HydrophobicContact CG2-CG 4.13Å; V61-M75 PolarHBondContact N-O 3.4Å; V63-M75 HydrophobicContact CG2-CB 4.26Å; V63-M75 HydrophobicContact CG2-SD 4.04Å; I73-M75 PolarHBondContact O-N 3Å; M75-A83 HydrophobicContact CE-CB 3.7Å; M75-A83 HydrophobicContact CG-CB 4.48Å; M75-Y84 CarbonylContact C-O 3.55Å; M75-Y84 VanDerWaalsContact CA-O 3.25Å; M75-Y84 WeakPolarHBondContact CA-O 3.48Å; M75-Y84 WeakPolarHBondContact CG-O 3.37Å; M75-F85 HydrophobicContact CB-CD1 3.9Å; M75-F85 HydrophobicContact CB-CE1 4.24Å; M75-F85 HydrophobicContact CE-CE1 4.39Å; M75-F85 HydrophobicContact CG-CD1 3.97Å; M75-F85 HydrophobicContact CG-CE1 4.11Å; M75-F85 HydrophobicContact SD-CD1 4.13Å; M75-F85 HydrophobicContact SD-CE1 3.63Å; M75-F85 HydrophobicContact SD-CZ 4.32Å; M75-F534 HydrophobicContact CE-CD1 4.08Å; M75-F534 HydrophobicContact CE-CE1 4.14Å; M75-F534 HydrophobicContact SD-CD1 3.63Å; M75-F534 HydrophobicContact SD-CE1 3.76Å
76	H	86.8	Confident	87	Confident	25 Å²	25	47.3 Å²	47.3	12%	0.116	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	150	-173.5	-64.7	-94.2	0	0	0	112	H59 A83 Y84 D86	H59-H76 CarbonylContact O-C 3.58Å; H59-H76 WeakPolarHBondContact O-CA 3.26Å; H76-A83 CarbonylContact O-C 3.53Å; H76-A83 WeakPolarHBondContact O-CA 3.11Å; H76-A83 WeakPolarHBondContact O-CB 3.26Å; H76-Y84 HydrophobicContact CB-CE1 4.03Å; H76-Y84 HydrophobicContact CB-CE2 4.09Å; H76-Y84 PolarHBondContact N-O 2.93Å; H76-Y84 WeakPolarHBondContact O-CD1 3.33Å; H76-Y84 PolarHBondContact O-N 3.01Å; H76-D86 IonicContact CD2-OD1 2.71Å; H76-D86 PolarHBondContact CD2-OD1 3.44Å; H76-D86 IonicContact CD2-OD2 2.78Å; H76-D86 PolarHBondContact CD2-OD2 3.02Å; H76-D86 IonicContact CE1-OD2 3.38Å; H76-D86 VanDerWaalsContact NE2-CG 3.26Å; H76-D86 IonicContact NE2-OD1 3.78Å; H76-D86 PolarHBondContact NE2-OD1 3.25Å; H76-D86 IonicContact NE2-OD2 3.5Å; H76-D86 PolarHBondContact NE2-OD2 2.84Å
77	V	82.4	Confident	85.8	Confident	2 Å²	2	46.9 Å²	46.9	1%	0.012	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	129.1	172.2	-162.5	0	0	0	0	111.2	F48 Y55 H59 V61 A83 V536	F48-V77 HydrophobicContact CB-CG1 4.4Å; F48-V77 HydrophobicContact CD2-CG1 4.22Å; F48-V77 HydrophobicContact CD2-CG2 3.73Å; F48-V77 HydrophobicContact CE2-CG2 4.11Å; Y55-V77 HydrophobicContact CE1-CB 4.41Å; Y55-V77 HydrophobicContact CE1-CG1 4.13Å; Y55-V77 WeakPolarHBondContact OH-CG1 3.33Å; H59-V77 HydrophobicContact CB-CG2 4.5Å; H59-V77 PolarHBondContact O-N 2.86Å; V61-V77 HydrophobicContact CG2-CG2 3.51Å; V77-A83 HydrophobicContact CG2-CB 4.37Å; V77-V536 HydrophobicContact CG2-CG1 4.46Å; V77-V536 HydrophobicContact CG2-CG2 3.61Å
78	E	77.4	Confident	84.4	Confident	47 Å²	47	52.2 Å²	52.2	22%	0.22	28%	0.282	C	S	.	.			trans	-72.7	160	169.4	-77.7	-150.1	124.6	0	0	113.5	Y55 T80 G81 Y82 Y84 Q511	Y55-E78 VanDerWaalsContact CE1-O 3.23Å; Y55-E78 WeakPolarHBondContact CE1-O 3.31Å; Y55-E78 PolarHBondContact OH-O 2.81Å; E78-T80 HydrophobicContact CB-CG2 4.47Å; E78-T80 WeakPolarHBondContact CB-OG1 3.35Å; E78-T80 PolarHBondContact O-N 2.9Å; E78-T80 WeakPolarHBondContact OE2-CB 3.4Å; E78-T80 WeakPolarHBondContact OE2-CG2 3.27Å; E78-T80 PolarHBondContact OE2-OG1 3.43Å; E78-G81 PolarHBondContact O-N 2.85Å; E78-Y82 WeakPolarHBondContact CB-O 3.27Å; E78-Y82 PolarHBondContact N-O 2.92Å; E78-Y84 HydrophobicContact CG-CD1 3.82Å; E78-Y84 HydrophobicContact CG-CE1 3.62Å; E78-Q511 PolarHBondContact OE1-NE2 2.88Å
79	P	72.6	Confident	82.9	Confident	86 Å²	86	52 Å²	52	56%	0.558	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.9	-8.2	162.8	-22.3	34.2	0	0	0	115.3	K50	K50-P79 WeakPolarHBondContact CE-O 3.29Å; K50-P79 PolarHBondContact NZ-O 3.05Å
80	T	74	Confident	81.1	Confident	52 Å²	52	47.8 Å²	47.8	32%	0.319	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-20.8	171.5	61.9	0	0	0	0	112.9	R47 K50 E78 Y82	R47-T80 PolarHBondContact NH2-O 3.31Å; R47-T80 VanDerWaalsContact NH2-O 3.17Å; K50-T80 VanDerWaalsContact CE-C 3.48Å; K50-T80 VanDerWaalsContact CE-O 3.26Å; K50-T80 WeakPolarHBondContact CE-O 3.41Å; E78-T80 HydrophobicContact CB-CG2 4.47Å; E78-T80 WeakPolarHBondContact CB-OG1 3.35Å; E78-T80 PolarHBondContact O-N 2.9Å; E78-T80 WeakPolarHBondContact OE2-CB 3.4Å; E78-T80 WeakPolarHBondContact OE2-CG2 3.27Å; E78-T80 PolarHBondContact OE2-OG1 3.43Å; T80-Y82 WeakPolarHBondContact OG1-CD2 3.21Å; T80-Y82 PolarHBondContact OG1-N 3.03Å
81	G	80.4	Confident	79.5	Confident	0 Å²	0	51 Å²	51	0%	0	27%	0.269	C	S	.	.	S	Bend	trans	93.7	-14.2	-169.6	0	0	0	0	0	114.1	R47 F48 E78	R47-G81 CarbonylContact C-O 3.59Å; R47-G81 WeakPolarHBondContact CA-O 3.4Å; R47-G81 WeakPolarHBondContact CG-O 3.36Å; F48-G81 PolarHBondContact N-O 2.84Å; F48-G81 WeakPolarHBondContact O-CA 3.42Å; E78-G81 PolarHBondContact O-N 2.85Å
82	Y	84.4	Confident	78.2	Confident	55 Å²	55	50.7 Å²	50.7	22%	0.216	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	152	173.9	-62.9	-69.5	0	0	0	110.7	R47 E78 T80 P641 S643 E646	R47-Y82 HydrophobicContact CB-CD1 3.89Å; R47-Y82 HydrophobicContact CB-CE1 4.18Å; R47-Y82 HydrophobicContact CG-CD1 3.77Å; R47-Y82 HydrophobicContact CG-CE1 3.96Å; R47-Y82 HydrophobicContact CG-CG 4.38Å; E78-Y82 WeakPolarHBondContact CB-O 3.27Å; E78-Y82 PolarHBondContact N-O 2.92Å; T80-Y82 WeakPolarHBondContact OG1-CD2 3.21Å; T80-Y82 PolarHBondContact OG1-N 3.03Å; Y82-P641 WeakPolarHBondContact CE1-O 3.16Å; Y82-P641 PolarHBondContact OH-O 3.11Å; Y82-S643 PolarHBondContact OH-N 3.22Å; Y82-S643 PolarHBondContact OH-OG 3.17Å; Y82-E646 PolarHBondContact OH-OE2 2.68Å
83	A	88	Confident	76.9	Confident	4 Å²	4	52.5 Å²	52.5	3%	0.033	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	141.5	-180	0	0	0	0	0	112.6	V46 F48 V61 M75 H76 V77	V46-A83 HydrophobicContact CB-CB 4.38Å; V46-A83 HydrophobicContact CG1-CB 4.3Å; V46-A83 PolarHBondContact O-N 3.13Å; F48-A83 HydrophobicContact CD2-CB 4.38Å; F48-A83 HydrophobicContact CE2-CB 4.24Å; V61-A83 HydrophobicContact CG2-CB 4.09Å; M75-A83 HydrophobicContact CE-CB 3.7Å; M75-A83 HydrophobicContact CG-CB 4.48Å; H76-A83 CarbonylContact O-C 3.53Å; H76-A83 WeakPolarHBondContact O-CA 3.11Å; H76-A83 WeakPolarHBondContact O-CB 3.26Å; V77-A83 HydrophobicContact CG2-CB 4.37Å
84	Y	90.2	Very high	75.7	Confident	35 Å²	35	53 Å²	53	14%	0.137	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	156.6	-169.9	63.2	-89.6	0	0	0	111.5	M75 H76 E78 Q511	M75-Y84 CarbonylContact C-O 3.55Å; M75-Y84 VanDerWaalsContact CA-O 3.25Å; M75-Y84 WeakPolarHBondContact CA-O 3.48Å; M75-Y84 WeakPolarHBondContact CG-O 3.37Å; H76-Y84 HydrophobicContact CB-CE1 4.03Å; H76-Y84 HydrophobicContact CB-CE2 4.09Å; H76-Y84 PolarHBondContact N-O 2.93Å; H76-Y84 WeakPolarHBondContact O-CD1 3.33Å; H76-Y84 PolarHBondContact O-N 3.01Å; E78-Y84 HydrophobicContact CG-CD1 3.82Å; E78-Y84 HydrophobicContact CG-CE1 3.62Å; Y84-Q511 HydrophobicContact CD1-CG 4.03Å; Y84-Q511 HydrophobicContact CD2-CB 3.88Å; Y84-Q511 HydrophobicContact CD2-CG 3.65Å; Y84-Q511 HydrophobicContact CE1-CG 4.28Å; Y84-Q511 HydrophobicContact CE2-CG 3.92Å; Y84-Q511 HydrophobicContact CG-CB 3.82Å; Y84-Q511 HydrophobicContact CG-CG 3.72Å
85	F	90.7	Very high	74.7	Confident	7 Å²	7	54.5 Å²	54.5	3%	0.031	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	145.8	175	-55.1	-63.7	0	0	0	112.3	F44 I73 C74 M75 N87 A512 L515	F44-F85 HydrophobicContact CB-CE2 3.71Å; F44-F85 HydrophobicContact CB-CZ 3.83Å; F44-F85 HydrophobicContact CD1-CE2 4.32Å; F44-F85 AromaticContact CD1-CZ 3.8Å; F44-F85 HydrophobicContact CD1-CZ 3.8Å; F44-F85 AromaticContact CD2-CE2 3.69Å; F44-F85 HydrophobicContact CD2-CE2 3.69Å; F44-F85 AromaticContact CD2-CZ 3.98Å; F44-F85 HydrophobicContact CD2-CZ 3.98Å; F44-F85 HydrophobicContact CE1-CZ 4.33Å; F44-F85 HydrophobicContact CE2-CE2 4.39Å; F44-F85 HydrophobicContact CE2-CZ 4.49Å; F44-F85 AromaticContact CG-CE2 3.65Å; F44-F85 HydrophobicContact CG-CE2 3.65Å; F44-F85 AromaticContact CG-CZ 3.6Å; F44-F85 HydrophobicContact CG-CZ 3.6Å; I73-F85 HydrophobicContact CG2-CD1 3.67Å; I73-F85 HydrophobicContact CG2-CE1 3.56Å; C74-F85 WeakPolarHBondContact O-CA 3.45Å; M75-F85 HydrophobicContact CB-CD1 3.9Å; M75-F85 HydrophobicContact CB-CE1 4.24Å; M75-F85 HydrophobicContact CE-CE1 4.39Å; M75-F85 HydrophobicContact CG-CD1 3.97Å; M75-F85 HydrophobicContact CG-CE1 4.11Å; M75-F85 HydrophobicContact SD-CD1 4.13Å; M75-F85 HydrophobicContact SD-CE1 3.63Å; M75-F85 HydrophobicContact SD-CZ 4.32Å; F85-N87 PolarHBondContact O-N 2.81Å; F85-A512 HydrophobicContact CB-CB 4.37Å; F85-A512 VanDerWaalsContact CB-O 3.32Å; F85-A512 WeakPolarHBondContact CB-O 3.17Å; F85-A512 WeakPolarHBondContact CD2-O 3.26Å; F85-A512 PolarHBondContact N-O 3.27Å; F85-A512 PolarHBondContact O-N 3.38Å; F85-L515 HydrophobicContact CD1-CD2 3.86Å; F85-L515 HydrophobicContact CD2-CD2 3.77Å; F85-L515 HydrophobicContact CD2-CG 4.11Å; F85-L515 HydrophobicContact CE1-CD2 3.84Å; F85-L515 HydrophobicContact CE1-CG 4.33Å; F85-L515 HydrophobicContact CE2-CD2 3.76Å; F85-L515 HydrophobicContact CE2-CG 3.67Å; F85-L515 HydrophobicContact CG-CD2 3.84Å; F85-L515 HydrophobicContact CZ-CD1 4.21Å; F85-L515 HydrophobicContact CZ-CD2 3.8Å; F85-L515 HydrophobicContact CZ-CG 3.79Å
86	D	81.3	Confident	73.8	Confident	52 Å²	52	63.4 Å²	63.4	28%	0.278	30%	0.302	S	S	.	.			trans	-64	115.1	168.4	-90	-27.6	0	0	0	110.2	C74 H76 E88	C74-D86 HydrophobicContact CB-CB 3.96Å; C74-D86 PolarHBondContact O-N 3.22Å; H76-D86 IonicContact CD2-OD1 2.71Å; H76-D86 PolarHBondContact CD2-OD1 3.44Å; H76-D86 IonicContact CD2-OD2 2.78Å; H76-D86 PolarHBondContact CD2-OD2 3.02Å; H76-D86 IonicContact CE1-OD2 3.38Å; H76-D86 VanDerWaalsContact NE2-CG 3.26Å; H76-D86 IonicContact NE2-OD1 3.78Å; H76-D86 PolarHBondContact NE2-OD1 3.25Å; H76-D86 IonicContact NE2-OD2 3.5Å; H76-D86 PolarHBondContact NE2-OD2 2.84Å; D86-E88 PolarHBondContact O-N 2.56Å
87	N	71.2	Confident	72.9	Confident	42 Å²	42	65.3 Å²	65.3	23%	0.225	32%	0.315	C	S	.	.			trans	-87.5	92.9	174.7	-175.8	-17.9	0	0	0	109.5	F85 E89 A90 K91 Q510 A512	F85-N87 PolarHBondContact O-N 2.81Å; N87-E89 VanDerWaalsContact C-N 3.27Å; N87-E89 PolarHBondContact O-N 3.01Å; N87-E89 PolarHBondContact OD1-N 3.16Å; N87-A90 HydrophobicContact CB-CB 3.9Å; N87-A90 VanDerWaalsContact CG-CB 3.42Å; N87-A90 WeakPolarHBondContact ND2-CB 3.47Å; N87-A90 PolarHBondContact O-N 3.05Å; N87-A90 VanDerWaalsContact O-N 3.16Å; N87-A90 PolarHBondContact OD1-N 2.89Å; N87-K91 WeakPolarHBondContact O-CB 3.13Å; N87-K91 PolarHBondContact O-N 3.01Å; N87-Q510 WeakPolarHBondContact CB-O 3.44Å; N87-Q510 PolarHBondContact ND2-O 3.13Å; N87-A512 HydrophobicContact CB-CB 4.04Å
88	E	63.2	Low	72.5	Confident	162 Å²	162	69 Å²	69	76%	0.757	33%	0.332	S	S	*	.	H	α-helix	trans	-57.5	-37.5	-178.1	-64.1	-162.9	146.3	0	0	112.6	D86 K91 L92	D86-E88 PolarHBondContact O-N 2.56Å; E88-K91 PolarHBondContact O-N 2.96Å; E88-L92 WeakPolarHBondContact O-CB 3.45Å; E88-L92 PolarHBondContact O-N 3.16Å
89	E	62.2	Low	72.4	Confident	127 Å²	127	69.1 Å²	69.1	59%	0.593	34%	0.341	S	S	*	.	H	α-helix	trans	-64.3	-46.7	175.1	-83.6	-156	-170.1	0	0	112.5	N87 K91 L92 K93	N87-E89 VanDerWaalsContact C-N 3.27Å; N87-E89 PolarHBondContact O-N 3.01Å; N87-E89 PolarHBondContact OD1-N 3.16Å; E89-K91 VanDerWaalsContact C-N 3.32Å; E89-L92 PolarHBondContact O-N 3.1Å; E89-K93 WeakPolarHBondContact O-CB 3.38Å; E89-K93 WeakPolarHBondContact O-CD 3.46Å; E89-K93 WeakPolarHBondContact O-CG 3.41Å; E89-K93 PolarHBondContact O-N 3.01Å; E89-K93 WeakPolarHBondContact OE2-CE 3.35Å; E89-K93 IonicContact OE2-NZ 3.15Å; E89-K93 PolarHBondContact OE2-NZ 2.93Å
90	A	58.5	Low	72.4	Confident	6 Å²	6	70 Å²	70	5%	0.05	34%	0.341	C	S	.	.	H	α-helix	trans	-65.3	-39.4	179.1	0	0	0	0	0	111	N87 K93 T94 Q510	N87-A90 HydrophobicContact CB-CB 3.9Å; N87-A90 VanDerWaalsContact CG-CB 3.42Å; N87-A90 WeakPolarHBondContact ND2-CB 3.47Å; N87-A90 PolarHBondContact O-N 3.05Å; N87-A90 VanDerWaalsContact O-N 3.16Å; N87-A90 PolarHBondContact OD1-N 2.89Å; A90-K93 PolarHBondContact O-N 2.99Å; A90-T94 WeakPolarHBondContact O-CB 3.47Å; A90-T94 PolarHBondContact O-N 3.49Å; A90-T94 PolarHBondContact O-OG1 3.02Å; A90-Q510 HydrophobicContact CB-CB 3.86Å
91	K	59.3	Low	72.4	Confident	97 Å²	97	71.9 Å²	71.9	42%	0.422	35%	0.348	S	S	.	.	H	α-helix	trans	-61	-48.3	174	-175	176.6	176.1	-178.1	0	111.6	N87 E88 E89 K93 T94 E95	N87-K91 WeakPolarHBondContact O-CB 3.13Å; N87-K91 PolarHBondContact O-N 3.01Å; E88-K91 PolarHBondContact O-N 2.96Å; E89-K91 VanDerWaalsContact C-N 3.32Å; K91-K93 VanDerWaalsContact C-N 3.33Å; K91-K93 PolarHBondContact O-N 3.02Å; K91-T94 PolarHBondContact O-N 2.88Å; K91-E95 WeakPolarHBondContact CE-OE1 3.26Å; K91-E95 HydrophobicContact CG-CG 4.47Å; K91-E95 WeakPolarHBondContact CG-OE1 3.49Å; K91-E95 WeakPolarHBondContact O-CB 3.46Å; K91-E95 WeakPolarHBondContact O-CG 3.38Å; K91-E95 PolarHBondContact O-N 3.06Å
92	L	63.1	Low	72.2	Confident	113 Å²	113	78.2 Å²	78.2	59%	0.592	37%	0.372	S	S	*	.	H	α-helix	trans	-64.9	-35.7	178.4	-156.3	79	0	0	0	112.2	E88 E89 R96	E88-L92 WeakPolarHBondContact O-CB 3.45Å; E88-L92 PolarHBondContact O-N 3.16Å; E89-L92 PolarHBondContact O-N 3.1Å; L92-R96 WeakPolarHBondContact O-CB 3.49Å; L92-R96 PolarHBondContact O-N 3.3Å
93	K	61.5	Low	71.6	Confident	116 Å²	116	78.4 Å²	78.4	50%	0.504	38%	0.382	S	S	.	.	H	α-helix	trans	-65.6	-43.1	172.7	-72.1	162.6	-168.7	166.5	0	111.4	E89 A90 K91 T97	E89-K93 WeakPolarHBondContact O-CB 3.38Å; E89-K93 WeakPolarHBondContact O-CD 3.46Å; E89-K93 WeakPolarHBondContact O-CG 3.41Å; E89-K93 PolarHBondContact O-N 3.01Å; E89-K93 WeakPolarHBondContact OE2-CE 3.35Å; E89-K93 IonicContact OE2-NZ 3.15Å; E89-K93 PolarHBondContact OE2-NZ 2.93Å; A90-K93 PolarHBondContact O-N 2.99Å; K91-K93 VanDerWaalsContact C-N 3.33Å; K91-K93 PolarHBondContact O-N 3.02Å; K93-T97 WeakPolarHBondContact O-CB 3.44Å; K93-T97 PolarHBondContact O-N 3.01Å; K93-T97 PolarHBondContact O-OG1 3.26Å
94	T	64	Low	70.9	Confident	18 Å²	18	82.8 Å²	82.8	11%	0.11	41%	0.405	C	S	.	.	H	α-helix	trans	-63.1	-53.8	175	-62.2	0	0	0	0	111.3	A90 K91 R96 T97 E98 I507	A90-T94 WeakPolarHBondContact O-CB 3.47Å; A90-T94 PolarHBondContact O-N 3.49Å; A90-T94 PolarHBondContact O-OG1 3.02Å; K91-T94 PolarHBondContact O-N 2.88Å; T94-R96 VanDerWaalsContact C-N 3.28Å; T94-R96 PolarHBondContact O-N 3.05Å; T94-T97 CarbonylContact O-C 3.48Å; T94-T97 WeakPolarHBondContact O-CA 3.4Å; T94-T97 WeakPolarHBondContact O-CB 3.15Å; T94-T97 PolarHBondContact O-N 3.32Å; T94-E98 HydrophobicContact CG2-CG 4.39Å; T94-E98 PolarHBondContact O-N 3.19Å; T94-I507 HydrophobicContact CG2-CB 4.04Å; T94-I507 HydrophobicContact CG2-CD1 4.05Å; T94-I507 HydrophobicContact CG2-CG2 4.2Å
95	E	68.1	Low	70.1	Confident	98 Å²	98	87 Å²	87	46%	0.458	43%	0.426	S	S	.	.	H	α-helix	trans	-56.9	-40.4	179.2	-72.4	174.4	-176.7	0	0	111.9	K91 E98 A99	K91-E95 WeakPolarHBondContact CE-OE1 3.26Å; K91-E95 HydrophobicContact CG-CG 4.47Å; K91-E95 WeakPolarHBondContact CG-OE1 3.49Å; K91-E95 WeakPolarHBondContact O-CB 3.46Å; K91-E95 WeakPolarHBondContact O-CG 3.38Å; K91-E95 PolarHBondContact O-N 3.06Å; E95-E98 PolarHBondContact O-N 2.81Å; E95-A99 WeakPolarHBondContact O-CB 2.98Å; E95-A99 PolarHBondContact O-N 3.29Å
96	R	69.8	Low	69.1	Low	188 Å²	188	92.2 Å²	92.2	71%	0.709	45%	0.45	S	S	*	.	H	α-helix	trans	-69.4	-31.1	176.2	-164.3	176	-163.1	166.3	4.6	113.2	L92 T94 L100	L92-R96 WeakPolarHBondContact O-CB 3.49Å; L92-R96 PolarHBondContact O-N 3.3Å; T94-R96 VanDerWaalsContact C-N 3.28Å; T94-R96 PolarHBondContact O-N 3.05Å; R96-L100 PolarHBondContact O-N 3.18Å; R96-L100 VanDerWaalsContact O-N 3.15Å
97	T	69.4	Low	68	Low	65 Å²	65	94.7 Å²	94.7	40%	0.399	46%	0.463	S	S	.	.	H	α-helix	trans	-74.6	-42.7	175	-54.5	0	0	0	0	110.9	K93 T94 A99 L100 L101 I507	K93-T97 WeakPolarHBondContact O-CB 3.44Å; K93-T97 PolarHBondContact O-N 3.01Å; K93-T97 PolarHBondContact O-OG1 3.26Å; T94-T97 CarbonylContact O-C 3.48Å; T94-T97 WeakPolarHBondContact O-CA 3.4Å; T94-T97 WeakPolarHBondContact O-CB 3.15Å; T94-T97 PolarHBondContact O-N 3.32Å; T97-A99 VanDerWaalsContact C-N 3.28Å; T97-A99 PolarHBondContact O-N 3.22Å; T97-L100 PolarHBondContact O-N 3.09Å; T97-L101 HydrophobicContact CG2-CD1 4.29Å; T97-L101 WeakPolarHBondContact O-CG 3.02Å; T97-L101 PolarHBondContact O-N 3.02Å; T97-I507 HydrophobicContact CG2-CD1 4.46Å
98	E	73.2	Confident	67.4	Low	78 Å²	78	98.8 Å²	98.8	36%	0.364	48%	0.481	S	S	.	.	H	α-helix	trans	-67.5	-26.1	173.8	-64.9	-175	-171.7	0	0	113.4	T94 E95 R102	T94-E98 HydrophobicContact CG2-CG 4.39Å; T94-E98 PolarHBondContact O-N 3.19Å; E95-E98 PolarHBondContact O-N 2.81Å; E98-R102 VanDerWaalsContact CB-NH2 3.29Å; E98-R102 PolarHBondContact O-N 2.97Å; E98-R102 PolarHBondContact O-NE 3.44Å; E98-R102 VanDerWaalsContact O-NE 3.08Å; E98-R102 IonicContact OE2-NH2 2.67Å; E98-R102 PolarHBondContact OE2-NH2 3.49Å
99	A	75.5	Confident	67.2	Low	50 Å²	50	94.3 Å²	94.3	41%	0.413	46%	0.464	S	S	.	.	H	α-helix	trans	-70.9	-45.8	170.8	0	0	0	0	0	111.1	E95 T97 L101 R102 S103	E95-A99 WeakPolarHBondContact O-CB 2.98Å; E95-A99 PolarHBondContact O-N 3.29Å; T97-A99 VanDerWaalsContact C-N 3.28Å; T97-A99 PolarHBondContact O-N 3.22Å; A99-L101 PolarHBondContact O-N 3.49Å; A99-R102 PolarHBondContact O-N 2.88Å; A99-S103 PolarHBondContact O-N 2.82Å; A99-S103 PolarHBondContact O-OG 3.01Å
100	L	73.4	Confident	66.8	Low	106 Å²	106	97.1 Å²	97.1	56%	0.555	47%	0.47	S	S	*	.	H	α-helix	trans	-60.9	-40.7	174.6	-90.8	161.4	0	0	0	112.8	R96 T97 N104	R96-L100 PolarHBondContact O-N 3.18Å; R96-L100 VanDerWaalsContact O-N 3.15Å; T97-L100 PolarHBondContact O-N 3.09Å; L100-N104 PolarHBondContact O-N 2.82Å; L100-N104 VanDerWaalsContact O-N 3.08Å
101	L	72.7	Confident	66.5	Low	90 Å²	90	100.1 Å²	100.1	47%	0.471	49%	0.487	S	S	.	.	H	α-helix	trans	-62.1	-49.3	174.9	-75.1	165.3	0	0	0	111.3	T97 A99 S103 N104 E105	T97-L101 HydrophobicContact CG2-CD1 4.29Å; T97-L101 WeakPolarHBondContact O-CG 3.02Å; T97-L101 PolarHBondContact O-N 3.02Å; A99-L101 PolarHBondContact O-N 3.49Å; L101-S103 PolarHBondContact O-N 2.89Å; L101-N104 PolarHBondContact O-N 3.24Å; L101-N104 VanDerWaalsContact O-N 3.14Å; L101-E105 WeakPolarHBondContact O-CG 3.29Å; L101-E105 PolarHBondContact O-N 3.31Å
102	R	75.8	Confident	66.1	Low	133 Å²	133	101.6 Å²	101.6	50%	0.502	50%	0.496	S	S	.	.	H	α-helix	trans	-58.8	-44.3	176.5	-89.9	174.5	-81.1	-143.4	-8.8	113.1	E98 A99 N104 E105 E106	E98-R102 VanDerWaalsContact CB-NH2 3.29Å; E98-R102 PolarHBondContact O-N 2.97Å; E98-R102 PolarHBondContact O-NE 3.44Å; E98-R102 VanDerWaalsContact O-NE 3.08Å; E98-R102 IonicContact OE2-NH2 2.67Å; E98-R102 PolarHBondContact OE2-NH2 3.49Å; A99-R102 PolarHBondContact O-N 2.88Å; R102-N104 VanDerWaalsContact C-N 3.29Å; R102-N104 PolarHBondContact O-N 2.91Å; R102-E105 PolarHBondContact O-N 2.99Å; R102-E106 WeakPolarHBondContact O-CG 3.25Å; R102-E106 PolarHBondContact O-N 3.01Å
103	S	73.1	Confident	65.6	Low	60 Å²	60	101.1 Å²	101.1	42%	0.42	49%	0.494	S	S	.	.	H	α-helix	trans	-65.4	-31	177	-63.8	0	0	0	0	113.2	A99 L101 L107	A99-S103 PolarHBondContact O-N 2.82Å; A99-S103 PolarHBondContact O-OG 3.01Å; L101-S103 PolarHBondContact O-N 2.89Å; S103-L107 VanDerWaalsContact O-CG 3.3Å; S103-L107 WeakPolarHBondContact O-CG 3.33Å; S103-L107 PolarHBondContact O-N 3.35Å; S103-L107 VanDerWaalsContact O-N 3.12Å
104	N	73.7	Confident	65	Low	95 Å²	95	102.5 Å²	102.5	51%	0.508	50%	0.502	S	S	.	.	H	α-helix	trans	-72.9	-37.6	172.8	-77.1	-7.2	0	0	0	112.4	L100 L101 R102 L107 Q108	L100-N104 PolarHBondContact O-N 2.82Å; L100-N104 VanDerWaalsContact O-N 3.08Å; L101-N104 PolarHBondContact O-N 3.24Å; L101-N104 VanDerWaalsContact O-N 3.14Å; R102-N104 VanDerWaalsContact C-N 3.29Å; R102-N104 PolarHBondContact O-N 2.91Å; N104-L107 PolarHBondContact O-N 3.3Å; N104-Q108 VanDerWaalsContact O-CG 3.3Å; N104-Q108 WeakPolarHBondContact O-CG 3.4Å; N104-Q108 PolarHBondContact O-N 3.17Å
105	E	72.4	Confident	64.3	Low	124 Å²	124	106.8 Å²	106.8	58%	0.579	53%	0.525	S	S	*	.	H	α-helix	trans	-64.8	-42.9	173.4	-71.1	172.6	168.4	0	0	111.4	L101 R102 L107 Q108 T109	L101-E105 WeakPolarHBondContact O-CG 3.29Å; L101-E105 PolarHBondContact O-N 3.31Å; R102-E105 PolarHBondContact O-N 2.99Å; E105-L107 PolarHBondContact O-N 2.84Å; E105-Q108 WeakPolarHBondContact O-CB 3.4Å; E105-Q108 PolarHBondContact O-N 2.73Å; E105-T109 WeakPolarHBondContact O-CG2 3.2Å; E105-T109 PolarHBondContact O-N 3.15Å
106	E	69.2	Low	63.1	Low	117 Å²	117	108 Å²	108	55%	0.547	53%	0.534	S	S	.	.	H	α-helix	trans	-57.6	-47.5	173.2	-73.8	173.1	161.7	0	0	111.1	R102 Q108 T109 W110	R102-E106 WeakPolarHBondContact O-CG 3.25Å; R102-E106 PolarHBondContact O-N 3.01Å; E106-Q108 PolarHBondContact O-N 3.4Å; E106-T109 PolarHBondContact O-N 3.37Å; E106-T109 PolarHBondContact O-OG1 3.11Å; E106-W110 PolarHBondContact O-N 2.98Å; E106-W110 VanDerWaalsContact O-N 3.11Å
107	L	59.5	Low	61.8	Low	104 Å²	104	106.9 Å²	106.9	55%	0.545	54%	0.537	S	S	.	.	H	α-helix	trans	-60.6	-40.8	175.6	-74.8	168.6	0	0	0	113.1	S103 N104 E105 T109 W110 T111	S103-L107 VanDerWaalsContact O-CG 3.3Å; S103-L107 WeakPolarHBondContact O-CG 3.33Å; S103-L107 PolarHBondContact O-N 3.35Å; S103-L107 VanDerWaalsContact O-N 3.12Å; N104-L107 PolarHBondContact O-N 3.3Å; E105-L107 PolarHBondContact O-N 2.84Å; L107-T109 PolarHBondContact O-N 2.84Å; L107-W110 PolarHBondContact O-N 2.77Å; L107-T111 PolarHBondContact O-N 3.03Å; L107-T111 VanDerWaalsContact O-N 3.08Å; L107-T111 PolarHBondContact O-OG1 3.47Å
108	Q	58	Low	60.5	Low	127 Å²	127	109.6 Å²	109.6	59%	0.593	55%	0.547	S	S	*	.	H	α-helix	trans	-59	-46.6	174.8	-71.8	-80.3	-71.8	0	0	111.1	N104 E105 E106 W110 T111 Q112	N104-Q108 VanDerWaalsContact O-CG 3.3Å; N104-Q108 WeakPolarHBondContact O-CG 3.4Å; N104-Q108 PolarHBondContact O-N 3.17Å; E105-Q108 WeakPolarHBondContact O-CB 3.4Å; E105-Q108 PolarHBondContact O-N 2.73Å; E106-Q108 PolarHBondContact O-N 3.4Å; Q108-W110 VanDerWaalsContact C-N 3.3Å; Q108-W110 PolarHBondContact O-N 3.24Å; Q108-T111 WeakPolarHBondContact CA-OG1 3.42Å; Q108-T111 PolarHBondContact O-N 3.36Å; Q108-T111 PolarHBondContact O-OG1 3.01Å; Q108-Q112 PolarHBondContact O-N 2.84Å
109	T	58.6	Low	58.7	Low	68 Å²	68	113.5 Å²	113.5	42%	0.417	57%	0.571	S	S	.	*	H	α-helix	trans	-63.9	-32.9	178.5	65	0	0	0	0	113.1	E105 E106 L107 Q112 N113	E105-T109 WeakPolarHBondContact O-CG2 3.2Å; E105-T109 PolarHBondContact O-N 3.15Å; E106-T109 PolarHBondContact O-N 3.37Å; E106-T109 PolarHBondContact O-OG1 3.11Å; L107-T109 PolarHBondContact O-N 2.84Å; T109-Q112 PolarHBondContact O-N 3.04Å; T109-N113 PolarHBondContact O-N 2.83Å; T109-N113 VanDerWaalsContact O-N 3.11Å; T109-N113 PolarHBondContact O-ND2 2.86Å
110	W	53.2	Low	56.6	Low	186 Å²	186	116.3 Å²	116.3	71%	0.705	59%	0.586	S	S	*	*	H	α-helix	trans	-66.3	-45.6	174.2	-74.7	36.1	0	0	0	110.7	E106 L107 Q108 Q112 N113 E114	E106-W110 PolarHBondContact O-N 2.98Å; E106-W110 VanDerWaalsContact O-N 3.11Å; L107-W110 PolarHBondContact O-N 2.77Å; Q108-W110 VanDerWaalsContact C-N 3.3Å; Q108-W110 PolarHBondContact O-N 3.24Å; W110-Q112 VanDerWaalsContact C-N 3.27Å; W110-Q112 PolarHBondContact O-N 2.94Å; W110-N113 PolarHBondContact O-N 2.91Å; W110-E114 PolarHBondContact O-N 3.04Å; W110-E114 VanDerWaalsContact O-N 3.08Å
111	T	53.4	Low	54.8	Low	69 Å²	69	116.8 Å²	116.8	42%	0.423	59%	0.593	S	S	.	*	H	α-helix	trans	-66	-23.8	177.4	54.2	0	0	0	0	114.2	L107 Q108 N115	L107-T111 PolarHBondContact O-N 3.03Å; L107-T111 VanDerWaalsContact O-N 3.08Å; L107-T111 PolarHBondContact O-OG1 3.47Å; Q108-T111 WeakPolarHBondContact CA-OG1 3.42Å; Q108-T111 PolarHBondContact O-N 3.36Å; Q108-T111 PolarHBondContact O-OG1 3.01Å; T111-N115 PolarHBondContact O-ND2 2.87Å
112	Q	51.4	Low	53	Low	128 Å²	128	119 Å²	119	60%	0.598	61%	0.611	S	S	*	*	H	α-helix	trans	-75.7	-46.1	170.1	-68.9	-172	-87.9	0	0	111.7	Q108 T109 W110 E114 N115 D116	Q108-Q112 PolarHBondContact O-N 2.84Å; T109-Q112 PolarHBondContact O-N 3.04Å; W110-Q112 VanDerWaalsContact C-N 3.27Å; W110-Q112 PolarHBondContact O-N 2.94Å; Q112-E114 VanDerWaalsContact C-N 3.28Å; Q112-E114 PolarHBondContact O-N 3.18Å; Q112-N115 PolarHBondContact O-N 3.28Å; Q112-D116 PolarHBondContact O-N 2.85Å; Q112-D116 VanDerWaalsContact O-N 3.13Å
113	N	51.3	Low	50.8	Low	103 Å²	103	119.9 Å²	119.9	55%	0.551	63%	0.625	S	S	*	*	H	α-helix	trans	-63.1	-28.6	-179.9	-74.4	-59.2	0	0	0	113.9	T109 W110	T109-N113 PolarHBondContact O-N 2.83Å; T109-N113 VanDerWaalsContact O-N 3.11Å; T109-N113 PolarHBondContact O-ND2 2.86Å; W110-N113 PolarHBondContact O-N 2.91Å
114	E	50	Low	48.8	Very low	145 Å²	145	125.2 Å²	125.2	68%	0.678	64%	0.644	S	S	*	*	H	α-helix	trans	-72.1	-30.1	173.1	-74.3	-169.4	129.2	0	0	113.2	W110 Q112	W110-E114 PolarHBondContact O-N 3.04Å; W110-E114 VanDerWaalsContact O-N 3.08Å; Q112-E114 VanDerWaalsContact C-N 3.28Å; Q112-E114 PolarHBondContact O-N 3.18Å
115	N	47.8	Very low	46.8	Very low	109 Å²	109	125.1 Å²	125.1	58%	0.583	65%	0.651	S	S	*	*	H	α-helix	trans	-76.1	-36.7	176.1	-76.4	-70.7	0	0	0	111.8	T111 Q112 H117 I118	T111-N115 PolarHBondContact O-ND2 2.87Å; Q112-N115 PolarHBondContact O-N 3.28Å; N115-H117 PolarHBondContact O-N 3.03Å; N115-I118 PolarHBondContact O-N 2.89Å; N115-I118 VanDerWaalsContact O-N 3.16Å
116	D	44.1	Very low	44.8	Very low	123 Å²	123	126.7 Å²	126.7	66%	0.658	66%	0.663	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.4	8.8	174.1	-73.1	-16.6	0	0	0	114	Q112	Q112-D116 PolarHBondContact O-N 2.85Å; Q112-D116 VanDerWaalsContact O-N 3.13Å
117	H	43.1	Very low	42.7	Very low	165 Å²	165	126.8 Å²	126.8	76%	0.764	67%	0.672	S	S	*	*	T	Hydrogen-bonded Turn	trans	-121.7	10.4	175	-91.5	24.3	0	0	0	114.8	N115	N115-H117 PolarHBondContact O-N 3.03Å
118	I	41.7	Very low	41.2	Very low	121 Å²	121	129.3 Å²	129.3	62%	0.621	68%	0.681	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.3	-24.2	177.3	-64	179.6	0	0	0	112.9	N115 C120	N115-I118 PolarHBondContact O-N 2.89Å; N115-I118 VanDerWaalsContact O-N 3.16Å; I118-C120 PolarHBondContact O-N 2.86Å
119	D	34.7	Very low	39.8	Very low	161 Å²	161	130.3 Å²	130.3	86%	0.861	69%	0.685	S	S	*	*			trans	-75.9	53.3	-177.6	-83.2	-0.8	0	0	0	114.6
120	C	32.4	Very low	38.2	Very low	109 Å²	109	133.5 Å²	133.5	74%	0.736	70%	0.699	S	S	*	*			trans	-138.7	23.3	175.4	70.2	0	0	0	0	115.9	I118	I118-C120 PolarHBondContact O-N 2.86Å
121	V	34.4	Very low	37	Very low	116 Å²	116	134.1 Å²	134.1	70%	0.703	71%	0.71	S	S	*	*	S	Bend	trans	-136.9	125	172	-174.3	0	0	0	0	113
122	T	34.5	Very low	35.8	Very low	137 Å²	137	137.2 Å²	137.2	84%	0.84	72%	0.724	S	S	*	*			trans	67.6	138.6	167.2	44.8	0	0	0	0	120.5
123	N	31.2	Very low	34.7	Very low	150 Å²	150	135.7 Å²	135.7	80%	0.802	72%	0.723	S	S	*	*			trans	-112.6	170.7	175.5	-105.1	-0.8	0	0	0	110.6
124	E	30.9	Very low	33.6	Very low	172 Å²	172	139.1 Å²	139.1	80%	0.804	73%	0.734	S	S	*	*			trans	76	102.4	156.1	-77.7	167.6	-135.2	0	0	120.2
125	S	30.4	Very low	32.5	Very low	94 Å²	94	139.5 Å²	139.5	66%	0.657	74%	0.735	S	S	*	*			trans	49.2	112.6	138.4	62.3	0	0	0	0	120.2
126	N	30.2	Very low	31.6	Very low	156 Å²	156	140.8 Å²	140.8	83%	0.834	74%	0.741	S	S	*	*				-167.1	176.1	88.5	-98.9	-57.3	0	0	0	112.5
127	T	26.4	Very low	30.7	Very low	120 Å²	120	140.6 Å²	140.6	74%	0.736	74%	0.739	S	S	*	*			trans	-81.7	163.7	-177.1	46.8	0	0	0	0	114.3
128	E	27.1	Very low	30.2	Very low	157 Å²	157	139.4 Å²	139.4	73%	0.734	74%	0.738	S	S	*	*			trans	108.9	117.9	152.9	-62.5	-160.2	-148.9	0	0	119.8
129	Q	29.3	Very low	29.5	Very low	147 Å²	147	139.8 Å²	139.8	69%	0.687	74%	0.736	S	S	*	*			trans	78.5	108.9	141.2	-67.6	-176.7	62.8	0	0	121.7
130	L	25.2	Very low	29.4	Very low	135 Å²	135	138.9 Å²	138.9	71%	0.707	73%	0.732	S	S	*	*			trans	73.3	105.8	131.7	-64	168.7	0	0	0	120.1
131	E	27.7	Very low	29.3	Very low	199 Å²	199	141.3 Å²	141.3	93%	0.93	74%	0.736	S	S	*	*				-106.4	156	126.5	-76.6	-162.7	142.1	0	0	109.6
132	N	28.6	Very low	29.2	Very low	135 Å²	135	140.4 Å²	140.4	72%	0.722	73%	0.732	S	S	*	*			trans	-160.7	148.3	-171.6	-167.7	14.5	0	0	0	110.9
133	V	27.4	Very low	28.9	Very low	95 Å²	95	141.1 Å²	141.1	58%	0.576	73%	0.731	S	S	*	*			trans	69.2	130.1	178.5	-161.3	0	0	0	0	113.1
134	F	27.6	Very low	28.7	Very low	176 Å²	176	137 Å²	137	77%	0.772	72%	0.724	S	S	*	*			cis	-109.5	139.3	20.3	-73.3	-98.1	0	0	0	112.9
135	E	27.8	Very low	28.5	Very low	153 Å²	153	137 Å²	137	72%	0.715	72%	0.724	S	S	*	*				67.9	129.6	71.4	-110.4	-169.7	-179.8	0	0	112.3
136	I	28.4	Very low	28.4	Very low	136 Å²	136	138.8 Å²	138.8	70%	0.697	73%	0.726	S	S	*	*			cis	-142	139.1	10.2	-67.1	164.7	0	0	0	106
137	D	26.5	Very low	28.3	Very low	118 Å²	118	135.8 Å²	135.8	63%	0.631	72%	0.718	S	S	*	*			cis	93.4	168.5	32.6	-161.1	28.4	0	0	0	115.2	Q139	D137-Q139 PolarHBondContact OD2-NE2 3.49Å
138	I	31.9	Very low	28.4	Very low	141 Å²	141	139.4 Å²	139.4	72%	0.723	72%	0.723	S	S	*	*			trans	88	91.3	-159.2	-54.5	174.7	0	0	0	111
139	Q	27.9	Very low	28.6	Very low	128 Å²	128	137.7 Å²	137.7	60%	0.598	73%	0.726	S	S	*	*				73.8	139.8	61.5	-55.3	160.6	19.6	0	0	112	D137	D137-Q139 PolarHBondContact OD2-NE2 3.49Å
140	D	31	Very low	28.5	Very low	143 Å²	143	139.3 Å²	139.3	77%	0.765	74%	0.735	S	S	*	*			cis	-141.6	167.9	22	-126.6	-33.4	0	0	0	113.5
141	I	30.3	Very low	28.5	Very low	160 Å²	160	139.6 Å²	139.6	82%	0.821	74%	0.738	S	S	*	*			trans	-118.9	-103.7	-176.2	-38.9	179.8	0	0	0	110.8
142	P	33.7	Very low	28.6	Very low	97 Å²	97	137.2 Å²	137.2	63%	0.63	73%	0.731	S	S	*	*			cis	-119.3	160.4	-35.2	40.6	-27.4	0	0	0	115
143	N	28.2	Very low	28.5	Very low	151 Å²	151	135.9 Å²	135.9	81%	0.807	73%	0.733	S	S	*	*			trans	74.5	103.9	146.8	-65.6	-7.6	0	0	0	122.5
144	G	25.8	Very low	28.7	Very low	64 Å²	64	136.3 Å²	136.3	66%	0.66	74%	0.74	S	S	*	*				-73.8	-171.9	116.7	0	0	0	0	0	110.4
145	E	28	Very low	28.7	Very low	171 Å²	171	135.8 Å²	135.8	80%	0.799	74%	0.74	S	S	*	*			cis	-150.4	171.4	1.8	-49.1	170.4	110.6	0	0	106.4
146	N	27.3	Very low	28.7	Very low	132 Å²	132	137 Å²	137	71%	0.706	74%	0.743	S	S	*	*				171.7	120.3	109.4	-101.4	-75.9	0	0	0	116.4
147	S	27.2	Very low	28.5	Very low	94 Å²	94	138.6 Å²	138.6	66%	0.657	75%	0.747	S	S	*	*				79.9	141.2	125.7	86.3	0	0	0	0	122.5
148	K	30.2	Very low	28.3	Very low	195 Å²	195	138.2 Å²	138.2	85%	0.848	75%	0.754	S	S	*	*			trans	78.8	149.5	151.2	-77.1	-178.6	175.9	174.9	0	118.6
149	P	30.9	Very low	28	Very low	121 Å²	121	140.5 Å²	140.5	79%	0.786	76%	0.762	S	S	*	*			trans	-111.2	158.1	-135.2	39.6	-33.3	0	0	0	112.8
150	M	26.6	Very low	27.8	Very low	181 Å²	181	139.6 Å²	139.6	89%	0.892	77%	0.769	S	S	*	*			trans	-147.2	145.7	173	-144.5	149.6	59	0	0	112.8
151	N	25.3	Very low	27.7	Very low	142 Å²	142	139 Å²	139	76%	0.759	77%	0.771	S	S	*	*			trans	-47.8	139	-174.4	-48.4	-34.2	0	0	0	115.1
152	N	30.3	Very low	27.4	Very low	149 Å²	149	138.3 Å²	138.3	80%	0.797	77%	0.769	S	S	*	*				-165.1	134	127.3	-78.8	-36.9	0	0	0	106
153	S	25.9	Very low	27.1	Very low	107 Å²	107	140.1 Å²	140.1	75%	0.748	78%	0.778	S	S	*	*			cis	85	45.1	24	90	0	0	0	0	117
154	S	31.8	Very low	26.9	Very low	104 Å²	104	139 Å²	139	73%	0.727	77%	0.771	S	S	*	*			trans	-166.4	125.4	155.7	44.1	0	0	0	0	106
155	E	27.2	Very low	26.9	Very low	165 Å²	165	141.6 Å²	141.6	77%	0.771	78%	0.776	S	S	*	*			cis	60	122.5	32.4	-110.1	-177.8	-179	0	0	111.5
156	F	28.3	Very low	26.6	Very low	179 Å²	179	139 Å²	139	79%	0.785	77%	0.772	S	S	*	*			cis	-136.7	168.7	32	-125.1	-96.2	0	0	0	114.4
157	Q	23.5	Very low	26.5	Very low	168 Å²	168	140 Å²	140	79%	0.785	78%	0.776	S	S	*	*			trans	-82.8	166.7	162.9	-62.1	178.4	-70.1	0	0	111.1
158	S	23.2	Very low	26.4	Very low	110 Å²	110	142.2 Å²	142.2	77%	0.769	78%	0.781	S	S	*	*			trans	9.4	123.1	153.2	57.9	0	0	0	0	119.4
159	E	26.2	Very low	26.2	Very low	190 Å²	190	143 Å²	143	89%	0.888	79%	0.785	S	S	*	*			trans	-142.9	144.5	139.8	-157	160.5	-138.2	0	0	111.3
160	S	23	Very low	25.8	Very low	108 Å²	108	140.2 Å²	140.2	76%	0.755	78%	0.777	S	S	*	*			trans	-94.5	142.5	176.2	-54.7	0	0	0	0	109.6
161	T	28	Very low	25.7	Very low	132 Å²	132	137 Å²	137	81%	0.81	77%	0.773	S	S	*	*			trans	-155.1	123.8	160.6	-9.3	0	0	0	0	112.1
162	D	23.9	Very low	25.7	Very low	144 Å²	144	137.8 Å²	137.8	77%	0.77	78%	0.776	S	S	*	*			trans	-75.7	129.3	175	-54.7	-94.9	0	0	0	111.7
163	V	28.4	Very low	25.3	Very low	136 Å²	136	135 Å²	135	82%	0.824	77%	0.769	S	S	*	*			trans	-135.9	101.1	150.5	-175.6	0	0	0	0	109.6
164	I	23.2	Very low	25.3	Very low	128 Å²	128	134.8 Å²	134.8	66%	0.656	77%	0.767	S	S	*	*			trans	-87.1	138	165.5	-65.9	167.8	0	0	0	108	T166	I164-T166 HydrophobicContact CG2-CG2 3.95Å; I164-T166 VanDerWaalsContact CG2-N 3.28Å
165	P	26.2	Very low	24.9	Very low	118 Å²	118	137 Å²	137	77%	0.766	77%	0.77	S	S	*	*			trans	-127.4	107.6	130.3	7.6	13.2	0	0	0	111
166	T	22.9	Very low	24.9	Very low	115 Å²	115	137.5 Å²	137.5	71%	0.706	78%	0.776	S	S	*	*			trans	-85.7	164.4	160.4	44	0	0	0	0	110	I164	I164-T166 HydrophobicContact CG2-CG2 3.95Å; I164-T166 VanDerWaalsContact CG2-N 3.28Å
167	L	24.9	Very low	24.7	Very low	153 Å²	153	137.1 Å²	137.1	80%	0.801	78%	0.777	S	S	*	*			trans	74.5	146.6	-170.5	-77.4	65.8	0	0	0	113.6
168	D	25	Very low	24.9	Very low	141 Å²	141	137.2 Å²	137.2	75%	0.754	78%	0.778	S	S	*	*			cis	-127.5	161.5	18.7	-148.8	-9.3	0	0	0	115.7
169	K	25	Very low	25.2	Very low	213 Å²	213	138.1 Å²	138.1	93%	0.926	78%	0.778	S	S	*	*			trans	-107.2	83.2	172.3	-76.8	-173.2	175.2	-179.5	0	110
170	G	24	Very low	25.3	Very low	61 Å²	61	135.4 Å²	135.4	63%	0.629	77%	0.77	S	S	*	*			trans	-141.4	94.4	-174.8	0	0	0	0	0	115.4
171	S	23.2	Very low	25.6	Very low	115 Å²	115	139.1 Å²	139.1	80%	0.804	77%	0.772	S	S	*	*			trans	4.4	110.5	154.8	56.1	0	0	0	0	120.8
172	L	24.9	Very low	25.8	Very low	157 Å²	157	140.4 Å²	140.4	82%	0.822	77%	0.769	S	S	*	*			trans	-160.6	127.7	136.2	-125.9	64.7	0	0	0	105.2
173	S	23.3	Very low	26.3	Very low	92 Å²	92	141.7 Å²	141.7	64%	0.643	78%	0.776	S	S	*	*			cis	70.6	127.7	33	88.4	0	0	0	0	114.4
174	S	24.6	Very low	27	Very low	101 Å²	101	141 Å²	141	71%	0.706	77%	0.773	S	S	*	*			trans	79	158.5	-164.9	93.9	0	0	0	0	115.7
175	N	25.1	Very low	28.6	Very low	151 Å²	151	141.8 Å²	141.8	81%	0.807	77%	0.773	S	S	*	*			trans	72.3	47.7	173.4	-51.9	6.6	0	0	0	116.9
176	I	26.8	Very low	30.8	Very low	175 Å²	175	145 Å²	145	90%	0.897	78%	0.775	S	S	*	*			trans	-126.1	79.5	142.8	-54.2	-179.6	0	0	0	107.9
177	E	24	Very low	33.7	Very low	171 Å²	171	140.7 Å²	140.7	80%	0.799	75%	0.747	S	S	*	*			trans	-134.4	161.3	158	-74.6	-159.4	109.2	0	0	107.9
178	E	26.6	Very low	36.8	Very low	171 Å²	171	136.2 Å²	136.2	80%	0.799	73%	0.727	S	S	*	*			trans	65.2	66	175.7	-52.2	-154.1	129.9	0	0	117.1
179	V	29.2	Very low	39.8	Very low	128 Å²	128	129.8 Å²	129.8	78%	0.776	69%	0.692	S	S	*	*	S	Bend	trans	-124	131.7	132.4	178.4	0	0	0	0	107.9
180	D	30	Very low	42.9	Very low	134 Å²	134	127 Å²	127	72%	0.717	68%	0.676	S	S	*	*			trans	51.7	77.8	166.9	-53.7	-16.4	0	0	0	119.3	E182	D180-E182 PolarHBondContact O-N 3.36Å
181	K	28.6	Very low	46	Very low	185 Å²	185	127.3 Å²	127.3	80%	0.804	66%	0.663	S	S	*	*			trans	-86.3	46.8	151.2	-73.7	176	-177.3	152	0	111.8
182	E	31.8	Very low	48.9	Very low	159 Å²	159	121.9 Å²	121.9	74%	0.743	63%	0.625	S	S	*	*	S	Bend	trans	-85.5	164.3	166.8	-76.2	-151.3	134.8	0	0	112.1	D180 T184	D180-E182 PolarHBondContact O-N 3.36Å; E182-T184 VanDerWaalsContact C-N 3.29Å; E182-T184 PolarHBondContact O-N 3.41Å
183	N	33.9	Very low	51.9	Low	172 Å²	172	114.9 Å²	114.9	92%	0.92	59%	0.588	S	S	*	*			trans	-66.2	75.4	-169.1	-90.6	-32.7	0	0	0	113.7	E185	N183-E185 VanDerWaalsContact C-N 3.29Å; N183-E185 PolarHBondContact O-N 3.24Å
184	T	44.6	Very low	54.7	Low	122 Å²	122	113.9 Å²	113.9	75%	0.748	57%	0.574	S	S	*	*			trans	-72.2	83	168.8	42.3	0	0	0	0	110	E182 K186	E182-T184 VanDerWaalsContact C-N 3.29Å; E182-T184 PolarHBondContact O-N 3.41Å; T184-K186 PolarHBondContact O-N 2.97Å
185	E	55.3	Low	57.5	Low	144 Å²	144	112.2 Å²	112.2	67%	0.673	55%	0.552	S	S	*	*			trans	-47.7	117.5	180	-170.5	178.8	-149.5	0	0	110.2	N183 I187 K305	N183-E185 VanDerWaalsContact C-N 3.29Å; N183-E185 PolarHBondContact O-N 3.24Å; E185-I187 PolarHBondContact O-N 2.95Å; E185-I187 VanDerWaalsContact O-N 3.09Å; E185-K305 PolarHBondContact O-NZ 2.8Å
186	K	73.4	Confident	59.9	Low	185 Å²	185	105.3 Å²	105.3	80%	0.804	52%	0.515	S	S	*	.			trans	-83.2	90.7	-163.3	-174.9	-175.7	178.3	-179.5	0	110.3	T184 T188	T184-K186 PolarHBondContact O-N 2.97Å; K186-T188 WeakPolarHBondContact O-CG2 3.47Å; K186-T188 PolarHBondContact O-N 3.49Å
187	I	83.5	Confident	62.3	Low	24 Å²	24	100.4 Å²	100.4	12%	0.123	49%	0.489	C	S	.	.			trans	-46.3	130.8	174.1	-58	170	0	0	0	110.6	E185 D191 F282 A300 R301 L304 K305	E185-I187 PolarHBondContact O-N 2.95Å; E185-I187 VanDerWaalsContact O-N 3.09Å; I187-D191 HydrophobicContact CG2-CB 4.49Å; I187-F282 HydrophobicContact CG2-CE1 4.13Å; I187-F282 HydrophobicContact CG2-CZ 4.37Å; I187-F282 WeakPolarHBondContact O-CE1 3.29Å; I187-A300 HydrophobicContact CG2-CB 3.58Å; I187-R301 HydrophobicContact CD1-CB 4.36Å; I187-R301 HydrophobicContact CD1-CG 3.73Å; I187-L304 HydrophobicContact CD1-CD1 4.34Å; I187-L304 HydrophobicContact CG1-CD1 4.28Å; I187-L304 HydrophobicContact CG2-CD1 3.53Å; I187-K305 HydrophobicContact CD1-CD 4.01Å; I187-K305 HydrophobicContact CD1-CG 4.16Å
188	T	89.4	Confident	64.5	Low	59 Å²	59	96.2 Å²	96.2	36%	0.362	47%	0.472	S	S	.	.			trans	-113.7	166.6	178.5	74.2	0	0	0	0	111.7	K186 R190 D191 L192 F282	K186-T188 WeakPolarHBondContact O-CG2 3.47Å; K186-T188 PolarHBondContact O-N 3.49Å; T188-R190 PolarHBondContact O-N 3.34Å; T188-R190 PolarHBondContact OG1-N 3.48Å; T188-D191 WeakPolarHBondContact CA-OD2 3.5Å; T188-D191 VanDerWaalsContact CB-OD2 3.3Å; T188-D191 WeakPolarHBondContact CB-OD2 3.37Å; T188-D191 PolarHBondContact N-OD2 3.24Å; T188-D191 PolarHBondContact O-N 2.85Å; T188-D191 VanDerWaalsContact O-N 3.1Å; T188-D191 VanDerWaalsContact OG1-CG 3.27Å; T188-D191 PolarHBondContact OG1-N 2.78Å; T188-D191 PolarHBondContact OG1-OD2 3.11Å; T188-L192 PolarHBondContact O-N 3.16Å; T188-F282 VanDerWaalsContact C-CE1 3.41Å
189	L	89.6	Confident	66.3	Low	6 Å²	6	90.6 Å²	90.6	3%	0.031	45%	0.449	C	S	.	.	H	α-helix	trans	-59.3	-30.2	171	-179.9	57.3	0	0	0	112.2	L192 I193 F272 T277 I280 F282 I285	L189-L192 HydrophobicContact CD1-CD2 4.45Å; L189-I193 HydrophobicContact CD1-CD1 4.14Å; L189-I193 HydrophobicContact CD1-CG1 4.44Å; L189-I193 HydrophobicContact CG-CD1 4Å; L189-I193 WeakPolarHBondContact O-CG1 3.46Å; L189-I193 PolarHBondContact O-N 2.96Å; L189-F272 HydrophobicContact CD1-CE2 4.01Å; L189-F272 HydrophobicContact CD1-CZ 3.77Å; L189-T277 HydrophobicContact CG-CG2 4.25Å; L189-I280 HydrophobicContact CD2-CB 4.45Å; L189-I280 HydrophobicContact CD2-CG2 4.12Å; L189-F282 HydrophobicContact CB-CB 4.17Å; L189-F282 HydrophobicContact CB-CD2 3.67Å; L189-F282 HydrophobicContact CB-CE2 4.1Å; L189-F282 HydrophobicContact CB-CG 3.91Å; L189-F282 HydrophobicContact CD1-CD2 3.85Å; L189-F282 HydrophobicContact CD1-CE2 3.94Å; L189-F282 HydrophobicContact CG-CD2 4.28Å; L189-I285 HydrophobicContact CD1-CG1 3.97Å; L189-I285 HydrophobicContact CD2-CG1 3.98Å
190	R	88.9	Confident	67.4	Low	156 Å²	156	91.2 Å²	91.2	59%	0.589	44%	0.438	S	S	*	.	H	α-helix	trans	-66.6	-38.2	175	175.2	175	-75.1	-167.9	-6.6	111.6	T188 I193 Q194 T277	T188-R190 PolarHBondContact O-N 3.34Å; T188-R190 PolarHBondContact OG1-N 3.48Å; R190-I193 PolarHBondContact O-N 2.97Å; R190-Q194 WeakPolarHBondContact O-CB 3.35Å; R190-Q194 PolarHBondContact O-N 2.88Å; R190-T277 HydrophobicContact CB-CG2 4.19Å
191	D	88.7	Confident	68.3	Low	67 Å²	67	89.2 Å²	89.2	36%	0.358	43%	0.425	S	S	.	.	H	α-helix	trans	-69.5	-36.9	-180	-50.9	-53.9	0	0	0	111.2	I187 T188 Y195 L304	I187-D191 HydrophobicContact CG2-CB 4.49Å; T188-D191 WeakPolarHBondContact CA-OD2 3.5Å; T188-D191 VanDerWaalsContact CB-OD2 3.3Å; T188-D191 WeakPolarHBondContact CB-OD2 3.37Å; T188-D191 PolarHBondContact N-OD2 3.24Å; T188-D191 PolarHBondContact O-N 2.85Å; T188-D191 VanDerWaalsContact O-N 3.1Å; T188-D191 VanDerWaalsContact OG1-CG 3.27Å; T188-D191 PolarHBondContact OG1-N 2.78Å; T188-D191 PolarHBondContact OG1-OD2 3.11Å; D191-Y195 VanDerWaalsContact O-CB 3.28Å; D191-Y195 WeakPolarHBondContact O-CB 3.41Å; D191-Y195 PolarHBondContact O-N 2.78Å; D191-L304 HydrophobicContact CB-CD1 4.03Å
192	L	85.8	Confident	69.7	Low	0 Å²	0	82.7 Å²	82.7	0%	0	40%	0.395	C	S	.	.	H	α-helix	trans	-62.7	-48.8	171.5	177.4	59.7	0	0	0	112	T188 L189 Y195 L196 F272 F282 I287 A300 L303	T188-L192 PolarHBondContact O-N 3.16Å; L189-L192 HydrophobicContact CD1-CD2 4.45Å; L192-Y195 PolarHBondContact O-N 2.92Å; L192-L196 HydrophobicContact CD1-CD1 3.98Å; L192-L196 HydrophobicContact CD1-CG 4.34Å; L192-L196 HydrophobicContact CG-CD1 4.15Å; L192-L196 WeakPolarHBondContact O-CG 3.46Å; L192-L196 PolarHBondContact O-N 3.29Å; L192-F272 HydrophobicContact CD2-CZ 4.11Å; L192-F282 HydrophobicContact CB-CZ 4.46Å; L192-F282 HydrophobicContact CD2-CE2 4.01Å; L192-F282 HydrophobicContact CD2-CZ 4.48Å; L192-I287 HydrophobicContact CD2-CD1 4.45Å; L192-A300 HydrophobicContact CB-CB 3.94Å; L192-A300 HydrophobicContact CD1-CB 4.07Å; L192-A300 HydrophobicContact CD2-CB 4.3Å; L192-A300 HydrophobicContact CG-CB 4.32Å; L192-L303 HydrophobicContact CD1-CD1 3.9Å
193	I	86.1	Confident	70.6	Confident	10 Å²	10	76.7 Å²	76.7	5%	0.051	37%	0.37	C	S	.	.	H	α-helix	trans	-63.7	-44.9	178.3	-72.4	166.2	0	0	0	110.5	L189 R190 Y195 L196 Q197 F272 L273 L275 T277	L189-I193 HydrophobicContact CD1-CD1 4.14Å; L189-I193 HydrophobicContact CD1-CG1 4.44Å; L189-I193 HydrophobicContact CG-CD1 4Å; L189-I193 WeakPolarHBondContact O-CG1 3.46Å; L189-I193 PolarHBondContact O-N 2.96Å; R190-I193 PolarHBondContact O-N 2.97Å; I193-Y195 VanDerWaalsContact C-N 3.32Å; I193-Y195 PolarHBondContact O-N 3.18Å; I193-L196 PolarHBondContact O-N 3.27Å; I193-Q197 HydrophobicContact CG2-CG 4.42Å; I193-Q197 VanDerWaalsContact O-CG 3.29Å; I193-Q197 WeakPolarHBondContact O-CG 3.44Å; I193-Q197 PolarHBondContact O-N 2.94Å; I193-F272 HydrophobicContact CD1-CE1 4.25Å; I193-F272 HydrophobicContact CD1-CZ 4.24Å; I193-F272 WeakPolarHBondContact CD1-O 3.5Å; I193-F272 HydrophobicContact CG1-CD1 4.03Å; I193-F272 HydrophobicContact CG1-CE1 3.44Å; I193-F272 VanDerWaalsContact CG1-CE1 3.44Å; I193-F272 HydrophobicContact CG1-CZ 3.78Å; I193-L273 HydrophobicContact CG2-CD2 4.22Å; I193-L275 HydrophobicContact CD1-CB 4.25Å; I193-L275 HydrophobicContact CD1-CD1 4.46Å; I193-T277 HydrophobicContact CD1-CG2 3.7Å
194	Q	83.9	Confident	71.2	Confident	72 Å²	72	73.5 Å²	73.5	34%	0.336	35%	0.353	S	S	.	.	H	α-helix	trans	-62.8	-37.7	178.4	-172.6	67.9	73.6	0	0	111.7	R190 Q197 D198 K736	R190-Q194 WeakPolarHBondContact O-CB 3.35Å; R190-Q194 PolarHBondContact O-N 2.88Å; Q194-Q197 PolarHBondContact O-N 3.21Å; Q194-D198 PolarHBondContact NE2-OD1 2.96Å; Q194-D198 VanDerWaalsContact O-CB 3.23Å; Q194-D198 WeakPolarHBondContact O-CB 3.09Å; Q194-D198 PolarHBondContact O-N 3.11Å; Q194-K736 VanDerWaalsContact NE2-NZ 3.17Å
195	Y	81.8	Confident	71.9	Confident	66 Å²	66	70.3 Å²	70.3	26%	0.259	33%	0.329	S	S	.	.	H	α-helix	trans	-65.1	-44.8	174	176.4	-84	0	0	0	112.3	D191 L192 I193 Q197 D198 T199 L303 L304	D191-Y195 VanDerWaalsContact O-CB 3.28Å; D191-Y195 WeakPolarHBondContact O-CB 3.41Å; D191-Y195 PolarHBondContact O-N 2.78Å; L192-Y195 PolarHBondContact O-N 2.92Å; I193-Y195 VanDerWaalsContact C-N 3.32Å; I193-Y195 PolarHBondContact O-N 3.18Å; Y195-Q197 VanDerWaalsContact C-N 3.26Å; Y195-Q197 PolarHBondContact O-N 2.88Å; Y195-D198 PolarHBondContact O-N 3.36Å; Y195-T199 HydrophobicContact CD1-CG2 4.18Å; Y195-T199 HydrophobicContact CD2-CG2 4.03Å; Y195-T199 HydrophobicContact CE1-CG2 3.97Å; Y195-T199 HydrophobicContact CE2-CG2 3.87Å; Y195-T199 HydrophobicContact CG-CG2 4.22Å; Y195-T199 WeakPolarHBondContact O-CB 3.41Å; Y195-T199 WeakPolarHBondContact O-CG2 3.36Å; Y195-T199 PolarHBondContact O-N 3.43Å; Y195-T199 PolarHBondContact O-OG1 3.01Å; Y195-L303 HydrophobicContact CD1-CB 4.28Å; Y195-L303 HydrophobicContact CD1-CD1 4.45Å; Y195-L303 HydrophobicContact CE1-CB 3.81Å; Y195-L303 HydrophobicContact CE1-CD1 4.23Å; Y195-L303 HydrophobicContact CE1-CD2 4.13Å; Y195-L303 HydrophobicContact CE1-CG 4.27Å; Y195-L303 WeakPolarHBondContact CE2-O 3.48Å; Y195-L303 PolarHBondContact OH-O 3.15Å; Y195-L304 HydrophobicContact CD2-CD2 3.54Å; Y195-L304 HydrophobicContact CE2-CD2 4.31Å; Y195-L304 HydrophobicContact CG-CD2 3.94Å
196	L	76.5	Confident	72.8	Confident	6 Å²	6	65.4 Å²	65.4	3%	0.031	31%	0.306	C	S	.	.	H	α-helix	trans	-67.1	-28.5	177.8	-67.6	167.9	0	0	0	112.1	L192 I193 Y200 H201 W202 F272 L273 L303	L192-L196 HydrophobicContact CD1-CD1 3.98Å; L192-L196 HydrophobicContact CD1-CG 4.34Å; L192-L196 HydrophobicContact CG-CD1 4.15Å; L192-L196 WeakPolarHBondContact O-CG 3.46Å; L192-L196 PolarHBondContact O-N 3.29Å; I193-L196 PolarHBondContact O-N 3.27Å; L196-Y200 WeakPolarHBondContact O-CA 3.46Å; L196-Y200 PolarHBondContact O-N 3.46Å; L196-H201 VanDerWaalsContact CD2-O 3.28Å; L196-H201 WeakPolarHBondContact CD2-O 3.31Å; L196-W202 HydrophobicContact CD1-CH2 4.46Å; L196-W202 HydrophobicContact CD1-CZ2 4.33Å; L196-F272 HydrophobicContact CD1-CD1 4.44Å; L196-F272 HydrophobicContact CD1-CE1 3.89Å; L196-L273 HydrophobicContact CB-CD2 4.42Å; L196-L303 HydrophobicContact CD2-CD1 4.5Å
197	Q	77	Confident	73.3	Confident	72 Å²	72	60.3 Å²	60.3	34%	0.336	28%	0.282	S	S	.	.	H	α-helix	trans	-74	-45	169.7	-69.7	173.2	-7.5	0	0	112.6	I193 Q194 Y195 Y200 L273	I193-Q197 HydrophobicContact CG2-CG 4.42Å; I193-Q197 VanDerWaalsContact O-CG 3.29Å; I193-Q197 WeakPolarHBondContact O-CG 3.44Å; I193-Q197 PolarHBondContact O-N 2.94Å; Q194-Q197 PolarHBondContact O-N 3.21Å; Y195-Q197 VanDerWaalsContact C-N 3.26Å; Y195-Q197 PolarHBondContact O-N 2.88Å; Q197-Y200 WeakPolarHBondContact O-CD2 3.42Å; Q197-Y200 VanDerWaalsContact O-CE2 3.26Å; Q197-Y200 WeakPolarHBondContact O-CE2 3.33Å; Q197-L273 HydrophobicContact CG-CD2 3.77Å; Q197-L273 PolarHBondContact NE2-O 2.9Å
198	D	71	Confident	73.5	Confident	83 Å²	83	59.3 Å²	59.3	44%	0.444	28%	0.277	S	S	.	.	H	α-helix	trans	-74.2	-32.6	-175.1	-76	-11.6	0	0	0	112.8	Q194 Y195 K736	Q194-D198 PolarHBondContact NE2-OD1 2.96Å; Q194-D198 VanDerWaalsContact O-CB 3.23Å; Q194-D198 WeakPolarHBondContact O-CB 3.09Å; Q194-D198 PolarHBondContact O-N 3.11Å; Y195-D198 PolarHBondContact O-N 3.36Å; D198-K736 IonicContact OD1-NZ 3.28Å; D198-K736 PolarHBondContact OD1-NZ 3.02Å; D198-K736 IonicContact OD2-NZ 3.75Å; D198-K736 PolarHBondContact OD2-NZ 3.38Å
199	T	62.5	Low	73.6	Confident	53 Å²	53	56.5 Å²	56.5	33%	0.325	26%	0.26	S	S	.	.	S	Bend	trans	-91.8	-14.7	179.5	60.7	0	0	0	0	113.5	Y195 H201	Y195-T199 HydrophobicContact CD1-CG2 4.18Å; Y195-T199 HydrophobicContact CD2-CG2 4.03Å; Y195-T199 HydrophobicContact CE1-CG2 3.97Å; Y195-T199 HydrophobicContact CE2-CG2 3.87Å; Y195-T199 HydrophobicContact CG-CG2 4.22Å; Y195-T199 WeakPolarHBondContact O-CB 3.41Å; Y195-T199 WeakPolarHBondContact O-CG2 3.36Å; Y195-T199 PolarHBondContact O-N 3.43Å; Y195-T199 PolarHBondContact O-OG1 3.01Å; T199-H201 PolarHBondContact O-N 2.89Å; T199-H201 PolarHBondContact OG1-N 3.21Å
200	Y	52.6	Low	73.7	Confident	140 Å²	140	59.5 Å²	59.5	55%	0.549	27%	0.271	S	S	.	.			trans	53	11.1	-168.2	-64.4	-96.2	0	0	0	114.2	L196 Q197 W202 Y719	L196-Y200 WeakPolarHBondContact O-CA 3.46Å; L196-Y200 PolarHBondContact O-N 3.46Å; Q197-Y200 WeakPolarHBondContact O-CD2 3.42Å; Q197-Y200 VanDerWaalsContact O-CE2 3.26Å; Q197-Y200 WeakPolarHBondContact O-CE2 3.33Å; Y200-W202 PolarHBondContact O-N 3.5Å; Y200-W202 VanDerWaalsContact O-N 3.16Å; Y200-Y719 HydrophobicContact CD1-CD1 4.46Å; Y200-Y719 HydrophobicContact CD1-CE1 4.05Å; Y200-Y719 HydrophobicContact CE1-CE1 4.11Å
201	H	50	Low	73.7	Confident	93 Å²	93	53.1 Å²	53.1	43%	0.431	25%	0.248	S	C	.	.			trans	-91.1	91	-168.9	-159.2	70.5	0	0	0	110.7	L196 T199 P203	L196-H201 VanDerWaalsContact CD2-O 3.28Å; L196-H201 WeakPolarHBondContact CD2-O 3.31Å; T199-H201 PolarHBondContact O-N 2.89Å; T199-H201 PolarHBondContact OG1-N 3.21Å; H201-P203 WeakPolarHBondContact O-CD 3.35Å
202	W	57	Low	73.5	Confident	47 Å²	47	52.8 Å²	52.8	18%	0.178	25%	0.246	C	C	.	.			trans	-93.7	104.7	162.3	-75.4	84.3	0	0	0	109.5	L196 Y200 N204 I208 P269 F272 L273	L196-W202 HydrophobicContact CD1-CH2 4.46Å; L196-W202 HydrophobicContact CD1-CZ2 4.33Å; Y200-W202 PolarHBondContact O-N 3.5Å; Y200-W202 VanDerWaalsContact O-N 3.16Å; W202-N204 PolarHBondContact O-N 2.86Å; W202-N204 PolarHBondContact O-OD1 2.86Å; W202-I208 HydrophobicContact CH2-CD1 3.61Å; W202-I208 HydrophobicContact CZ3-CD1 3.59Å; W202-I208 HydrophobicContact CZ3-CG1 4.34Å; W202-P269 HydrophobicContact CD2-CB 4.01Å; W202-P269 HydrophobicContact CD2-CG 4.37Å; W202-P269 HydrophobicContact CE3-CB 3.92Å; W202-P269 HydrophobicContact CE3-CG 3.88Å; W202-P269 HydrophobicContact CH2-CB 3.7Å; W202-P269 HydrophobicContact CH2-CG 4.24Å; W202-P269 HydrophobicContact CZ2-CB 3.79Å; W202-P269 HydrophobicContact CZ3-CB 3.75Å; W202-P269 HydrophobicContact CZ3-CG 3.8Å; W202-F272 HydrophobicContact CH2-CB 4.15Å; W202-F272 AromaticContact CH2-CD1 3.72Å; W202-F272 HydrophobicContact CH2-CD1 3.72Å; W202-F272 HydrophobicContact CH2-CG 4.24Å; W202-F272 HydrophobicContact CZ2-CD1 4.15Å; W202-L273 HydrophobicContact CZ2-CD1 4.31Å; W202-L273 HydrophobicContact CZ2-CD2 3.77Å; W202-L273 HydrophobicContact CZ2-CG 3.84Å
203	P	50.5	Low	72.6	Confident	34 Å²	34	59.7 Å²	59.7	22%	0.221	28%	0.283	C	S	.	.			trans	-55.3	121.7	161.2	-30.3	38.1	0	0	0	109.9	H201 E205 F206	H201-P203 WeakPolarHBondContact O-CD 3.35Å; P203-E205 PolarHBondContact O-N 2.76Å; P203-F206 HydrophobicContact CB-CD2 3.88Å; P203-F206 HydrophobicContact CB-CE2 3.86Å; P203-F206 HydrophobicContact CB-CG 4.38Å; P203-F206 HydrophobicContact CB-CZ 4.34Å; P203-F206 HydrophobicContact CG-CD2 3.86Å; P203-F206 HydrophobicContact CG-CE2 3.46Å; P203-F206 VanDerWaalsContact CG-CE2 3.46Å; P203-F206 HydrophobicContact CG-CZ 4.11Å; P203-F206 PolarHBondContact O-N 3.47Å; P203-F206 VanDerWaalsContact O-N 3.13Å
204	N	47.9	Very low	70.6	Confident	104 Å²	104	66.4 Å²	66.4	56%	0.556	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	14.6	-168.9	-65	-19.8	0	0	0	115.5	W202 D572	W202-N204 PolarHBondContact O-N 2.86Å; W202-N204 PolarHBondContact O-OD1 2.86Å; N204-D572 PolarHBondContact ND2-OD2 2.81Å
205	E	58.8	Low	68.3	Low	55 Å²	55	68.2 Å²	68.2	26%	0.257	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-138.2	7.2	-176.1	-71.5	-175.8	126.7	0	0	113.9	P203 Y207 V288 W289 K650	P203-E205 PolarHBondContact O-N 2.76Å; E205-Y207 WeakPolarHBondContact O-CD2 3.46Å; E205-Y207 PolarHBondContact O-N 3.04Å; E205-V288 VanDerWaalsContact O-O 3.14Å; E205-W289 PolarHBondContact OE2-NE1 3.48Å; E205-K650 IonicContact OE1-NZ 3.8Å; E205-K650 PolarHBondContact OE1-NZ 2.79Å; E205-K650 IonicContact OE2-NZ 3.25Å; E205-K650 PolarHBondContact OE2-NZ 3.08Å
206	F	74.4	Confident	65.7	Low	41 Å²	41	72.2 Å²	72.2	18%	0.18	36%	0.358	C	S	.	.			trans	-77.8	110.2	172.8	-77.2	-32.8	0	0	0	111.4	P203 I287 V288 W289	P203-F206 HydrophobicContact CB-CD2 3.88Å; P203-F206 HydrophobicContact CB-CE2 3.86Å; P203-F206 HydrophobicContact CB-CG 4.38Å; P203-F206 HydrophobicContact CB-CZ 4.34Å; P203-F206 HydrophobicContact CG-CD2 3.86Å; P203-F206 HydrophobicContact CG-CE2 3.46Å; P203-F206 VanDerWaalsContact CG-CE2 3.46Å; P203-F206 HydrophobicContact CG-CZ 4.11Å; P203-F206 PolarHBondContact O-N 3.47Å; P203-F206 VanDerWaalsContact O-N 3.13Å; F206-I287 HydrophobicContact CB-CG2 3.94Å; F206-I287 HydrophobicContact CD1-CG2 3.34Å; F206-I287 HydrophobicContact CD2-CG2 4.5Å; F206-I287 HydrophobicContact CE1-CG2 3.91Å; F206-I287 HydrophobicContact CG-CG2 3.71Å; F206-V288 WeakPolarHBondContact CA-O 3.24Å; F206-W289 HydrophobicContact CD1-CB 3.77Å; F206-W289 HydrophobicContact CD1-CG 4.13Å; F206-W289 HydrophobicContact CE1-CB 3.75Å; F206-W289 AromaticContact CE1-CG 3.95Å; F206-W289 HydrophobicContact CE1-CG 3.95Å
207	Y	83.6	Confident	63.3	Low	79 Å²	79	77.9 Å²	77.9	31%	0.31	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	113.3	167.9	-67.2	-105.3	0	0	0	108.4	E205 L266 V288 H332	E205-Y207 WeakPolarHBondContact O-CD2 3.46Å; E205-Y207 PolarHBondContact O-N 3.04Å; Y207-L266 HydrophobicContact CD1-CD1 3.91Å; Y207-L266 HydrophobicContact CD1-CD2 4.44Å; Y207-L266 HydrophobicContact CG-CD1 4.43Å; Y207-V288 PolarHBondContact N-O 3.48Å; Y207-V288 PolarHBondContact O-N 3.34Å; Y207-H332 AromaticContact CD1-CE1 3.45Å; Y207-H332 VanDerWaalsContact CD1-CE1 3.45Å; Y207-H332 WeakPolarHBondContact CD1-CE1 3.06Å; Y207-H332 AromaticContact CD1-ND1 3.86Å; Y207-H332 AromaticContact CD2-CE1 3.27Å; Y207-H332 WeakPolarHBondContact CD2-CE1 3.15Å; Y207-H332 AromaticContact CD2-NE2 3.85Å; Y207-H332 AromaticContact CE1-CE1 3.76Å; Y207-H332 AromaticContact CE2-CE1 3.63Å; Y207-H332 AromaticContact CG-CE1 3.19Å; Y207-H332 AromaticContact CG-ND1 3.7Å; Y207-H332 AromaticContact CZ-CE1 3.86Å
208	I	88.2	Confident	60.8	Low	3 Å²	3	80.5 Å²	80.5	2%	0.015	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	123.1	-179	-54.2	-173	0	0	0	109.7	W202 L267 F272 I285 W286 I287	W202-I208 HydrophobicContact CH2-CD1 3.61Å; W202-I208 HydrophobicContact CZ3-CD1 3.59Å; W202-I208 HydrophobicContact CZ3-CG1 4.34Å; I208-L267 HydrophobicContact CG2-CD1 4.45Å; I208-L267 PolarHBondContact O-N 2.88Å; I208-F272 HydrophobicContact CB-CD2 4.47Å; I208-F272 HydrophobicContact CD1-CB 4.21Å; I208-F272 HydrophobicContact CD1-CD1 3.64Å; I208-F272 HydrophobicContact CD1-CD2 3.81Å; I208-F272 HydrophobicContact CD1-CE1 3.89Å; I208-F272 HydrophobicContact CD1-CE2 4.07Å; I208-F272 HydrophobicContact CD1-CG 3.59Å; I208-F272 HydrophobicContact CD1-CZ 4.1Å; I208-F272 HydrophobicContact CG2-CD2 3.66Å; I208-F272 HydrophobicContact CG2-CE2 3.82Å; I208-F272 HydrophobicContact CG2-CG 4.42Å; I208-I285 HydrophobicContact CG2-CG2 3.85Å; I208-W286 CarbonylContact C-O 3.54Å; I208-W286 WeakPolarHBondContact CA-O 3.48Å; I208-I287 HydrophobicContact CD1-CD1 4.33Å; I208-I287 HydrophobicContact CG1-CD1 4.31Å; I208-I287 HydrophobicContact CG1-CG1 4.19Å; I208-I287 HydrophobicContact CG2-CG1 4.48Å
209	Y	91	Very high	58.6	Low	0 Å²	0	83.9 Å²	83.9	0%	0	43%	0.432	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	137.4	177.7	-73	-86.1	0	0	0	111.5	E265 L266 I285 W286 V288 I328 Q331 H332 D335	Y209-E265 CarbonylContact C-O 3.55Å; Y209-E265 VanDerWaalsContact CA-O 3.28Å; Y209-E265 WeakPolarHBondContact CA-O 3.42Å; Y209-E265 WeakPolarHBondContact CD1-O 3.28Å; Y209-L266 HydrophobicContact CD1-CB 4.47Å; Y209-L266 HydrophobicContact CE1-CB 4Å; Y209-L266 HydrophobicContact CE1-CD1 4.14Å; Y209-L266 HydrophobicContact CE2-CD1 4.12Å; Y209-I285 WeakPolarHBondContact O-CA 3.17Å; Y209-W286 PolarHBondContact N-O 3.13Å; Y209-W286 PolarHBondContact O-N 2.8Å; Y209-V288 HydrophobicContact CD2-CG2 3.95Å; Y209-V288 HydrophobicContact CE2-CG2 4Å; Y209-I328 HydrophobicContact CD2-CG2 3.65Å; Y209-I328 HydrophobicContact CE2-CG2 4.39Å; Y209-I328 HydrophobicContact CG-CD1 4.38Å; Y209-I328 HydrophobicContact CG-CG2 3.85Å; Y209-Q331 HydrophobicContact CE1-CG 4.14Å; Y209-H332 HydrophobicContact CE2-CB 3.96Å; Y209-H332 AromaticContact CE2-ND1 3.68Å; Y209-H332 AromaticContact CZ-ND1 3.77Å; Y209-H332 WeakPolarHBondContact OH-CA 3.39Å; Y209-H332 PolarHBondContact OH-ND1 2.94Å; Y209-D335 WeakPolarHBondContact CE1-OD2 3.46Å; Y209-D335 VanDerWaalsContact CZ-OD2 3.3Å; Y209-D335 PolarHBondContact OH-OD2 2.97Å
210	R	91.9	Very high	57	Low	68 Å²	68	89.7 Å²	89.7	26%	0.257	46%	0.455	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	124.7	168.3	-175.6	170.5	67.2	148.2	2.6	110	L212 C264 E265 L267 S284 I285	R210-L212 PolarHBondContact O-N 3.09Å; R210-C264 CarbonylContact O-C 3.59Å; R210-C264 WeakPolarHBondContact O-CA 3.5Å; R210-C264 WeakPolarHBondContact O-CB 3.44Å; R210-E265 HydrophobicContact CB-CG 3.94Å; R210-E265 IonicContact CZ-OE1 3.36Å; R210-E265 PolarHBondContact N-O 3.01Å; R210-E265 IonicContact NE-OE1 2.71Å; R210-E265 PolarHBondContact NE-OE1 2.85Å; R210-E265 VanDerWaalsContact NH2-CD 3.32Å; R210-E265 IonicContact NH2-OE1 2.7Å; R210-E265 PolarHBondContact NH2-OE1 2.96Å; R210-E265 IonicContact NH2-OE2 3.36Å; R210-E265 PolarHBondContact NH2-OE2 2.83Å; R210-E265 PolarHBondContact O-N 3.3Å; R210-L267 HydrophobicContact CB-CD1 3.91Å; R210-L267 HydrophobicContact CB-CG 4.11Å; R210-S284 CarbonylContact C-O 3.49Å; R210-S284 WeakPolarHBondContact CA-O 3.24Å; R210-I285 HydrophobicContact CB-CD1 4.18Å; R210-I285 HydrophobicContact CG-CD1 4.2Å
211	L	89.5	Confident	55.9	Low	22 Å²	22	92.4 Å²	92.4	12%	0.115	47%	0.47	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	122	172.2	-72.4	165.7	0	0	0	110.4	N213 I262 C264 S284 W286 A324 I328	L211-N213 PolarHBondContact O-N 3.45Å; L211-I262 HydrophobicContact CD2-CG2 3.53Å; L211-C264 HydrophobicContact CD2-CB 4.29Å; L211-S284 PolarHBondContact N-O 3.39Å; L211-W286 VanDerWaalsContact CD1-CD1 3.44Å; L211-W286 HydrophobicContact CD1-CG 4.49Å; L211-A324 HydrophobicContact CD1-CB 3.59Å; L211-A324 HydrophobicContact CD2-CB 3.86Å; L211-A324 HydrophobicContact CG-CB 4.35Å; L211-I328 HydrophobicContact CD2-CD1 3.69Å; L211-I328 HydrophobicContact CD2-CG1 4.36Å; L211-I328 HydrophobicContact CG-CD1 4.18Å
212	L	84.6	Confident	54.7	Low	61 Å²	61	96.6 Å²	96.6	32%	0.319	49%	0.489	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	97.7	176.6	-62.2	179.7	0	0	0	109.3	R210 N263 E265	R210-L212 PolarHBondContact O-N 3.09Å; L212-N263 HydrophobicContact CB-CB 4.18Å; L212-N263 PolarHBondContact N-O 3.03Å; L212-E265 HydrophobicContact CD1-CB 4.29Å; L212-E265 HydrophobicContact CD1-CG 4.17Å; L212-E265 HydrophobicContact CD2-CG 4.19Å; L212-E265 HydrophobicContact CG-CG 4.16Å
213	N	65.2	Low	53.4	Low	145 Å²	145	102 Å²	102	78%	0.775	52%	0.522	S	S	*	.			trans	-58	141.6	163.4	-84.8	-26.8	0	0	0	109.6	L211 S215	L211-N213 PolarHBondContact O-N 3.45Å; N213-S215 VanDerWaalsContact C-N 3.3Å; N213-S215 PolarHBondContact O-N 2.93Å
214	K	44.8	Very low	52.2	Low	151 Å²	151	109.1 Å²	109.1	66%	0.657	55%	0.549	S	S	*	.			trans	-70	89.8	169	-78.1	-169.9	179.2	179.9	0	110.1	S261	K214-S261 WeakPolarHBondContact CE-OG 3.33Å; K214-S261 PolarHBondContact NZ-OG 3.44Å
215	S	35.1	Very low	51.5	Low	109 Å²	109	111.4 Å²	111.4	76%	0.762	56%	0.561	S	S	*	*	P	Polyproline II helix	trans	-54.7	135.7	153.8	47.3	0	0	0	0	108.7	N213	N213-S215 VanDerWaalsContact C-N 3.3Å; N213-S215 PolarHBondContact O-N 2.93Å
216	N	27.8	Very low	50	Low	151 Å²	151	116.1 Å²	116.1	81%	0.807	59%	0.588	S	S	*	*	P	Polyproline II helix	trans	-59.8	141.5	177.4	-71.5	-41.5	0	0	0	109.9	V218	N216-V218 PolarHBondContact O-N 3Å
217	T	25.2	Very low	48	Very low	125 Å²	125	119.5 Å²	119.5	77%	0.767	62%	0.615	S	S	*	*	P	Polyproline II helix	trans	-55.2	123.4	177	43.8	0	0	0	0	110.7	N219	T217-N219 PolarHBondContact O-N 3.48Å
218	V	25.7	Very low	45.6	Very low	126 Å²	126	122.7 Å²	122.7	76%	0.764	64%	0.637	S	S	*	*			trans	-67.3	96.8	-179.5	178.3	0	0	0	0	110.1	N216 H220	N216-V218 PolarHBondContact O-N 3Å; V218-H220 VanDerWaalsContact C-N 3.34Å; V218-H220 HydrophobicContact CG1-CB 4.27Å; V218-H220 PolarHBondContact O-N 2.69Å
219	N	24.8	Very low	42.8	Very low	154 Å²	154	127.1 Å²	127.1	82%	0.824	66%	0.661	S	S	*	*			trans	-96.3	63.5	163.9	-96.5	-10.1	0	0	0	109.8	T217	T217-N219 PolarHBondContact O-N 3.48Å
220	H	27.7	Very low	39.9	Very low	175 Å²	175	135.7 Å²	135.7	81%	0.81	70%	0.698	S	S	*	*			trans	-114.9	83	159.7	-89	-64.2	0	0	0	109.1	V218	V218-H220 VanDerWaalsContact C-N 3.34Å; V218-H220 HydrophobicContact CG1-CB 4.27Å; V218-H220 PolarHBondContact O-N 2.69Å
221	K	30.5	Very low	36.9	Very low	198 Å²	198	138.1 Å²	138.1	86%	0.861	72%	0.721	S	S	*	*			trans	-69.4	153.9	148.8	-98.1	-170.2	171.8	-173	0	108.9
222	E	25.5	Very low	34	Very low	180 Å²	180	141.7 Å²	141.7	84%	0.841	75%	0.748	S	S	*	*			trans	-62.8	137.4	178.2	-61.1	143.2	116.9	0	0	111.2
223	N	28.6	Very low	31.4	Very low	161 Å²	161	147.1 Å²	147.1	86%	0.861	77%	0.771	S	S	*	*				-158.9	134.3	123.3	-99.5	-22	0	0	0	109.2
224	K	26.1	Very low	29.4	Very low	184 Å²	184	147.1 Å²	147.1	80%	0.8	77%	0.77	S	S	*	*			trans	-82.3	135.5	156.4	-59	174.6	177.8	174.1	0	106.7
225	D	31.9	Very low	28.4	Very low	151 Å²	151	146 Å²	146	81%	0.807	77%	0.772	S	S	*	*				167.8	154	108.6	-86.4	-26.9	0	0	0	112.3
226	N	29	Very low	28	Very low	154 Å²	154	148.2 Å²	148.2	82%	0.824	77%	0.774	S	S	*	*			trans	65.7	115.1	162.2	-144.6	32.8	0	0	0	119.1
227	P	31.6	Very low	27.8	Very low	113 Å²	113	148.5 Å²	148.5	73%	0.734	78%	0.776	S	S	*	*			trans	-94.9	143.8	170.9	36	-30.7	0	0	0	112.4
228	D	32	Very low	28.3	Very low	146 Å²	146	147.8 Å²	147.8	78%	0.781	77%	0.773	S	S	*	*			trans	-162	155.7	151.9	-138	-17.8	0	0	0	116.2
229	N	30.8	Very low	28.2	Very low	96 Å²	96	146.1 Å²	146.1	51%	0.513	77%	0.767	S	S	.	*			trans	58.1	101.9	156.1	-76.9	-63.6	0	0	0	123.7
230	K	28.7	Very low	28.3	Very low	180 Å²	180	145.3 Å²	145.3	78%	0.783	76%	0.763	S	S	*	*				78.5	112.5	108.8	-83.7	-169.5	-168.6	114.8	0	123.7
231	T	28.9	Very low	28.4	Very low	119 Å²	119	143.4 Å²	143.4	73%	0.73	75%	0.754	S	S	*	*				137.5	144.1	108.5	-40.9	0	0	0	0	115.9
232	S	29.4	Very low	28.2	Very low	97 Å²	97	141.8 Å²	141.8	68%	0.678	75%	0.747	S	S	*	*			trans	62	113.2	158.7	38.5	0	0	0	0	118.8
233	Q	29.5	Very low	28.3	Very low	175 Å²	175	139.3 Å²	139.3	82%	0.818	74%	0.74	S	S	*	*				76.2	118.1	72.9	-72.5	-174	11.7	0	0	113.1
234	L	24.2	Very low	28.5	Very low	144 Å²	144	140 Å²	140	75%	0.754	74%	0.737	S	S	*	*				60.2	132.5	85.7	-62.8	175.4	0	0	0	112.4
235	N	23.8	Very low	28.4	Very low	129 Å²	129	135.6 Å²	135.6	69%	0.69	73%	0.73	S	S	*	*			cis	-166	168.2	4.1	-139.9	-7.4	0	0	0	112
236	L	27	Very low	28.4	Very low	154 Å²	154	137.4 Å²	137.4	81%	0.806	73%	0.734	S	S	*	*			trans	68.3	147.5	152.2	-64	162.8	0	0	0	123.1
237	N	23	Very low	28.3	Very low	158 Å²	158	138.6 Å²	138.6	85%	0.845	73%	0.732	S	S	*	*			trans	-95.9	-174.8	165	-78.3	-43	0	0	0	109.8
238	P	35.1	Very low	27.9	Very low	110 Å²	110	140.5 Å²	140.5	71%	0.714	73%	0.734	S	S	*	*			cis	-143.2	169.9	6.4	41.6	-21.4	0	0	0	119.9
239	S	24.8	Very low	27.7	Very low	90 Å²	90	142.7 Å²	142.7	63%	0.629	74%	0.739	S	S	*	*			trans	73.8	134.3	137.1	64.5	0	0	0	0	126
240	N	26.5	Very low	27.3	Very low	138 Å²	138	143.6 Å²	143.6	74%	0.738	75%	0.753	S	S	*	*			trans	77.3	149.5	142.2	-68.8	-8.7	0	0	0	120.4
241	Q	29	Very low	27.3	Very low	135 Å²	135	141.1 Å²	141.1	63%	0.631	75%	0.754	S	S	*	*			cis	-162.8	159.6	4.3	-128.8	170.5	14.6	0	0	114.9
242	F	26.2	Very low	27	Very low	164 Å²	164	147 Å²	147	72%	0.719	76%	0.762	S	S	*	*			trans	60	155.6	156.7	-69.1	-55.9	0	0	0	120.3
243	N	28.1	Very low	26.9	Very low	127 Å²	127	147.5 Å²	147.5	68%	0.679	76%	0.763	S	S	*	*			cis	-136.5	175.7	2.5	-103.7	-40.6	0	0	0	108.8
244	H	32.1	Very low	26.6	Very low	175 Å²	175	148.2 Å²	148.2	81%	0.81	76%	0.764	S	S	*	*			cis	-154.7	-176.9	26.3	-144.7	-20.6	0	0	0	112.5
245	S	25.4	Very low	26.6	Very low	92 Å²	92	150.7 Å²	150.7	64%	0.643	77%	0.768	S	S	*	*			trans	-93.3	155	-157.5	-33	0	0	0	0	116.6
246	Q	30.5	Very low	26.6	Very low	190 Å²	190	153.7 Å²	153.7	89%	0.888	78%	0.776	S	S	*	*				-178.3	140.7	106.4	-95	-166.2	30.2	0	0	117.1
247	K	27.8	Very low	26.5	Very low	179 Å²	179	157 Å²	157	78%	0.778	78%	0.778	S	S	*	*			trans	20.6	111.2	155.5	-97.5	177.8	172.9	178.7	0	123.7
248	I	23.6	Very low	26.6	Very low	153 Å²	153	158.9 Å²	158.9	79%	0.785	78%	0.778	S	S	*	*				27.1	114.2	118.9	-44.9	164.3	0	0	0	118.6
249	Q	27.2	Very low	26.3	Very low	191 Å²	191	163.4 Å²	163.4	89%	0.893	79%	0.787	S	S	*	*				-167.8	160.4	113.7	-106.6	-171.8	2.8	0	0	114.1
250	S	22.8	Very low	26.9	Very low	116 Å²	116	163.4 Å²	163.4	81%	0.811	79%	0.786	S	S	*	*			trans	-70.5	122.7	-169.9	159.9	0	0	0	0	115.1
251	T	28.2	Very low	28	Very low	128 Å²	128	159.6 Å²	159.6	79%	0.785	77%	0.771	S	S	*	*			trans	-142.3	145.4	142	44	0	0	0	0	109.8	P253	T251-P253 WeakPolarHBondContact O-CD 3.31Å
252	R	22.4	Very low	29.5	Very low	243 Å²	243	156 Å²	156	92%	0.917	76%	0.755	S	S	*	*			trans	-81.9	117	174.1	-76.8	179	172	174.1	-2.8	110
253	P	26.8	Very low	31.7	Very low	107 Å²	107	152.4 Å²	152.4	70%	0.695	74%	0.743	S	S	*	*			trans	-69.8	135	164.5	-11.5	28.6	0	0	0	109.1	T251 F255	T251-P253 WeakPolarHBondContact O-CD 3.31Å; P253-F255 PolarHBondContact O-N 3.31Å
254	K	23.4	Very low	34.5	Very low	190 Å²	190	147.4 Å²	147.4	83%	0.826	72%	0.718	S	S	*	*			trans	-65.5	103.9	175.4	-68.2	178	179.7	177.6	0	109.2	F256	K254-F256 VanDerWaalsContact C-N 3.34Å; K254-F256 PolarHBondContact O-N 3.02Å
255	F	24	Very low	37.1	Very low	195 Å²	195	141.8 Å²	141.8	86%	0.855	69%	0.692	S	S	*	*			trans	-64.7	93.5	171.3	-99.2	-84.1	0	0	0	109.8	P253 R257	P253-F255 PolarHBondContact O-N 3.31Å; F255-R257 PolarHBondContact O-N 3.16Å
256	F	24.1	Very low	39.9	Very low	193 Å²	193	139.9 Å²	139.9	85%	0.846	68%	0.675	S	S	*	*			trans	-66.6	73.4	160.9	-94.5	-85.8	0	0	0	109.1	K254 K258	K254-F256 VanDerWaalsContact C-N 3.34Å; K254-F256 PolarHBondContact O-N 3.02Å; F256-K258 PolarHBondContact O-N 3.36Å
257	R	26.2	Very low	42.4	Very low	224 Å²	224	131.5 Å²	131.5	85%	0.845	64%	0.636	S	S	*	*			trans	-64.6	98.4	171.8	-169.6	176.1	-170.1	171.6	3.1	106.9	F255 K259	F255-R257 PolarHBondContact O-N 3.16Å; R257-K259 PolarHBondContact O-N 2.81Å
258	K	25.1	Very low	44.8	Very low	196 Å²	196	128.1 Å²	128.1	85%	0.852	62%	0.619	S	S	*	*			trans	-41.5	117.3	172.3	-89.7	-178.9	172.5	175.9	0	108	F256 S260	F256-K258 PolarHBondContact O-N 3.36Å; K258-S260 VanDerWaalsContact C-N 3.34Å; K258-S260 PolarHBondContact O-N 2.93Å
259	K	28.2	Very low	47.1	Very low	206 Å²	206	123.7 Å²	123.7	90%	0.896	60%	0.6	S	S	*	*			trans	-62.2	99.2	174.2	-79.7	-173.6	175.3	-178.7	0	107.7	R257 S261	R257-K259 PolarHBondContact O-N 2.81Å; K259-S261 PolarHBondContact O-N 3.29Å
260	S	37.3	Very low	49.3	Very low	89 Å²	89	119.6 Å²	119.6	62%	0.622	58%	0.581	S	S	*	*			trans	-62.2	106.2	166.1	47.4	0	0	0	0	107.2	K258 I262	K258-S260 VanDerWaalsContact C-N 3.34Å; K258-S260 PolarHBondContact O-N 2.93Å; S260-I262 PolarHBondContact O-N 2.87Å
261	S	50.5	Low	52	Low	58 Å²	58	117.9 Å²	117.9	41%	0.406	56%	0.563	S	S	.	*			trans	-65.5	84.4	168.7	27.6	0	0	0	0	109	K214 K259 N263	K214-S261 WeakPolarHBondContact CE-OG 3.33Å; K214-S261 PolarHBondContact NZ-OG 3.44Å; K259-S261 PolarHBondContact O-N 3.29Å; S261-N263 PolarHBondContact O-N 3Å
262	I	58.8	Low	54.8	Low	60 Å²	60	111.8 Å²	111.8	31%	0.308	53%	0.525	S	S	.	.			trans	-69.7	106.5	160.2	-64.9	170.7	0	0	0	104.4	L211 S260 I327	L211-I262 HydrophobicContact CD2-CG2 3.53Å; S260-I262 PolarHBondContact O-N 2.87Å; I262-I327 HydrophobicContact CB-CD1 3.78Å; I262-I327 HydrophobicContact CD1-CD1 3.78Å; I262-I327 HydrophobicContact CG1-CD1 4.28Å; I262-I327 HydrophobicContact CG2-CD1 4.15Å; I262-I327 HydrophobicContact CG2-CG2 4.33Å
263	N	73.6	Confident	57.6	Low	88 Å²	88	102.1 Å²	102.1	47%	0.471	49%	0.492	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	157.1	174.7	-69.7	3.4	0	0	0	108.5	L212 S261	L212-N263 HydrophobicContact CB-CB 4.18Å; L212-N263 PolarHBondContact N-O 3.03Å; S261-N263 PolarHBondContact O-N 3Å
264	C	87.2	Confident	60.2	Low	22 Å²	22	103.5 Å²	103.5	15%	0.149	49%	0.487	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	161.4	167	51.7	0	0	0	0	109.4	R210 L211 I328 Q331	R210-C264 CarbonylContact O-C 3.59Å; R210-C264 WeakPolarHBondContact O-CA 3.5Å; R210-C264 WeakPolarHBondContact O-CB 3.44Å; L211-C264 HydrophobicContact CD2-CB 4.29Å; C264-I328 HydrophobicContact CB-CD1 3.56Å; C264-I328 VanDerWaalsContact SG-CD1 3.57Å; C264-Q331 VanDerWaalsContact SG-CB 3.58Å
265	E	85.3	Confident	63	Low	58 Å²	58	95.8 Å²	95.8	27%	0.271	45%	0.454	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	149.4	175.5	54.9	175	-139.3	0	0	109	Y209 R210 L212 L267	Y209-E265 CarbonylContact C-O 3.55Å; Y209-E265 VanDerWaalsContact CA-O 3.28Å; Y209-E265 WeakPolarHBondContact CA-O 3.42Å; Y209-E265 WeakPolarHBondContact CD1-O 3.28Å; R210-E265 HydrophobicContact CB-CG 3.94Å; R210-E265 IonicContact CZ-OE1 3.36Å; R210-E265 PolarHBondContact N-O 3.01Å; R210-E265 IonicContact NE-OE1 2.71Å; R210-E265 PolarHBondContact NE-OE1 2.85Å; R210-E265 VanDerWaalsContact NH2-CD 3.32Å; R210-E265 IonicContact NH2-OE1 2.7Å; R210-E265 PolarHBondContact NH2-OE1 2.96Å; R210-E265 IonicContact NH2-OE2 3.36Å; R210-E265 PolarHBondContact NH2-OE2 2.83Å; R210-E265 PolarHBondContact O-N 3.3Å; L212-E265 HydrophobicContact CD1-CB 4.29Å; L212-E265 HydrophobicContact CD1-CG 4.17Å; L212-E265 HydrophobicContact CD2-CG 4.19Å; L212-E265 HydrophobicContact CG-CG 4.16Å; E265-L267 WeakPolarHBondContact OE1-CD2 3.32Å
266	L	85.9	Confident	66	Low	52 Å²	52	91.7 Å²	91.7	27%	0.272	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	127.5	168.6	179.8	69.3	0	0	0	108.8	Y207 Y209	Y207-L266 HydrophobicContact CD1-CD1 3.91Å; Y207-L266 HydrophobicContact CD1-CD2 4.44Å; Y207-L266 HydrophobicContact CG-CD1 4.43Å; Y209-L266 HydrophobicContact CD1-CB 4.47Å; Y209-L266 HydrophobicContact CE1-CB 4Å; Y209-L266 HydrophobicContact CE1-CD1 4.14Å; Y209-L266 HydrophobicContact CE2-CD1 4.12Å
267	L	82.5	Confident	68.9	Low	14 Å²	14	84.1 Å²	84.1	7%	0.073	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	128.6	169.2	-66.5	178.9	0	0	0	109.3	I208 R210 E265 F272 L275 I285	I208-L267 HydrophobicContact CG2-CD1 4.45Å; I208-L267 PolarHBondContact O-N 2.88Å; R210-L267 HydrophobicContact CB-CD1 3.91Å; R210-L267 HydrophobicContact CB-CG 4.11Å; E265-L267 WeakPolarHBondContact OE1-CD2 3.32Å; L267-F272 HydrophobicContact CD1-CD2 4.02Å; L267-L275 HydrophobicContact CD1-CD1 3.91Å; L267-L275 HydrophobicContact CD1-CD2 4.06Å; L267-I285 HydrophobicContact CD1-CD1 4.14Å
268	Y	77.3	Confident	71.6	Confident	108 Å²	108	79.3 Å²	79.3	42%	0.424	40%	0.399	S	S	.	.	P	Polyproline II helix	trans	-73.1	155.4	168.8	-64.6	-84.2	0	0	0	110.1	L4 E270 D271 F272	L4-Y268 HydrophobicContact CD2-CE1 4.31Å; Y268-E270 VanDerWaalsContact C-N 3.25Å; Y268-E270 PolarHBondContact O-N 2.88Å; Y268-D271 PolarHBondContact O-N 2.96Å; Y268-F272 PolarHBondContact O-N 2.8Å
269	P	73.5	Confident	74.5	Confident	59 Å²	59	76.3 Å²	76.3	38%	0.383	39%	0.385	S	S	.	.	H	α-helix	trans	-52	-43.9	177.3	-29.7	36.9	0	0	0	113	W202 D271 F272 L273	W202-P269 HydrophobicContact CD2-CB 4.01Å; W202-P269 HydrophobicContact CD2-CG 4.37Å; W202-P269 HydrophobicContact CE3-CB 3.92Å; W202-P269 HydrophobicContact CE3-CG 3.88Å; W202-P269 HydrophobicContact CH2-CB 3.7Å; W202-P269 HydrophobicContact CH2-CG 4.24Å; W202-P269 HydrophobicContact CZ2-CB 3.79Å; W202-P269 HydrophobicContact CZ3-CB 3.75Å; W202-P269 HydrophobicContact CZ3-CG 3.8Å; P269-D271 VanDerWaalsContact C-N 3.26Å; P269-D271 PolarHBondContact O-N 2.88Å; P269-F272 PolarHBondContact O-N 3.22Å; P269-L273 WeakPolarHBondContact O-CG 3.33Å; P269-L273 PolarHBondContact O-N 2.83Å
270	E	73.4	Confident	77.2	Confident	106 Å²	106	67.5 Å²	67.5	50%	0.495	35%	0.348	S	S	.	.	H	α-helix	trans	-54.9	-36.5	174.4	-77.6	-71.3	159.1	0	0	113.7	Y268 K274	Y268-E270 VanDerWaalsContact C-N 3.25Å; Y268-E270 PolarHBondContact O-N 2.88Å; E270-K274 WeakPolarHBondContact O-CD 3.24Å; E270-K274 WeakPolarHBondContact O-CE 3.29Å; E270-K274 VanDerWaalsContact O-CG 3.28Å; E270-K274 WeakPolarHBondContact O-CG 3.39Å; E270-K274 PolarHBondContact O-NZ 3.31Å; E270-K274 IonicContact OE2-NZ 3.89Å; E270-K274 PolarHBondContact OE2-NZ 3.34Å
271	D	79.6	Confident	79.5	Confident	79 Å²	79	66.8 Å²	66.8	42%	0.422	34%	0.343	S	S	.	.	H	α-helix	trans	-84	-38.8	179.7	-58.2	-43.2	0	0	0	110.9	Y268 P269 L273 K274 L275	Y268-D271 PolarHBondContact O-N 2.96Å; P269-D271 VanDerWaalsContact C-N 3.26Å; P269-D271 PolarHBondContact O-N 2.88Å; D271-L273 VanDerWaalsContact C-N 3.34Å; D271-L273 PolarHBondContact O-N 2.97Å; D271-K274 CarbonylContact O-C 3.48Å; D271-K274 PolarHBondContact O-N 2.99Å; D271-K274 VanDerWaalsContact O-N 3.07Å; D271-L275 PolarHBondContact O-N 2.96Å
272	F	85	Confident	81.4	Confident	0 Å²	0	65.1 Å²	65.1	0%	0	33%	0.328	C	S	.	.	H	α-helix	trans	-60.9	-41.1	177.6	-174.3	-101.4	0	0	0	112.4	L189 L192 I193 L196 W202 I208 L267 Y268 P269 K274 L275 I285	L189-F272 HydrophobicContact CD1-CE2 4.01Å; L189-F272 HydrophobicContact CD1-CZ 3.77Å; L192-F272 HydrophobicContact CD2-CZ 4.11Å; I193-F272 HydrophobicContact CD1-CE1 4.25Å; I193-F272 HydrophobicContact CD1-CZ 4.24Å; I193-F272 WeakPolarHBondContact CD1-O 3.5Å; I193-F272 HydrophobicContact CG1-CD1 4.03Å; I193-F272 HydrophobicContact CG1-CE1 3.44Å; I193-F272 VanDerWaalsContact CG1-CE1 3.44Å; I193-F272 HydrophobicContact CG1-CZ 3.78Å; L196-F272 HydrophobicContact CD1-CD1 4.44Å; L196-F272 HydrophobicContact CD1-CE1 3.89Å; W202-F272 HydrophobicContact CH2-CB 4.15Å; W202-F272 AromaticContact CH2-CD1 3.72Å; W202-F272 HydrophobicContact CH2-CD1 3.72Å; W202-F272 HydrophobicContact CH2-CG 4.24Å; W202-F272 HydrophobicContact CZ2-CD1 4.15Å; I208-F272 HydrophobicContact CB-CD2 4.47Å; I208-F272 HydrophobicContact CD1-CB 4.21Å; I208-F272 HydrophobicContact CD1-CD1 3.64Å; I208-F272 HydrophobicContact CD1-CD2 3.81Å; I208-F272 HydrophobicContact CD1-CE1 3.89Å; I208-F272 HydrophobicContact CD1-CE2 4.07Å; I208-F272 HydrophobicContact CD1-CG 3.59Å; I208-F272 HydrophobicContact CD1-CZ 4.1Å; I208-F272 HydrophobicContact CG2-CD2 3.66Å; I208-F272 HydrophobicContact CG2-CE2 3.82Å; I208-F272 HydrophobicContact CG2-CG 4.42Å; L267-F272 HydrophobicContact CD1-CD2 4.02Å; Y268-F272 PolarHBondContact O-N 2.8Å; P269-F272 PolarHBondContact O-N 3.22Å; F272-K274 PolarHBondContact O-N 2.64Å; F272-L275 HydrophobicContact CD2-CD1 3.47Å; F272-L275 VanDerWaalsContact CD2-CD1 3.47Å; F272-L275 HydrophobicContact CD2-CG 4.43Å; F272-L275 HydrophobicContact CE2-CD1 3.76Å; F272-L275 HydrophobicContact CG-CD1 4.27Å; F272-L275 VanDerWaalsContact O-CG 3.32Å; F272-L275 WeakPolarHBondContact O-CG 3.38Å; F272-L275 PolarHBondContact O-N 3.4Å; F272-I285 HydrophobicContact CE2-CD1 4.29Å; F272-I285 HydrophobicContact CE2-CG1 4.37Å; F272-I285 HydrophobicContact CE2-CG2 3.81Å; F272-I285 HydrophobicContact CZ-CG2 4.37Å
273	L	81.2	Confident	82.8	Confident	41 Å²	41	67 Å²	67	22%	0.215	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-13.5	176.4	-67.7	-174.8	0	0	0	114	I193 L196 Q197 W202 P269 D271	I193-L273 HydrophobicContact CG2-CD2 4.22Å; L196-L273 HydrophobicContact CB-CD2 4.42Å; Q197-L273 HydrophobicContact CG-CD2 3.77Å; Q197-L273 PolarHBondContact NE2-O 2.9Å; W202-L273 HydrophobicContact CZ2-CD1 4.31Å; W202-L273 HydrophobicContact CZ2-CD2 3.77Å; W202-L273 HydrophobicContact CZ2-CG 3.84Å; P269-L273 WeakPolarHBondContact O-CG 3.33Å; P269-L273 PolarHBondContact O-N 2.83Å; D271-L273 VanDerWaalsContact C-N 3.34Å; D271-L273 PolarHBondContact O-N 2.97Å
274	K	81.8	Confident	83.6	Confident	135 Å²	135	63.6 Å²	63.6	59%	0.587	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.7	8.7	-178.6	-61.1	-177.6	-164.4	99	0	113.2	E270 D271 F272 E276	E270-K274 WeakPolarHBondContact O-CD 3.24Å; E270-K274 WeakPolarHBondContact O-CE 3.29Å; E270-K274 VanDerWaalsContact O-CG 3.28Å; E270-K274 WeakPolarHBondContact O-CG 3.39Å; E270-K274 PolarHBondContact O-NZ 3.31Å; E270-K274 IonicContact OE2-NZ 3.89Å; E270-K274 PolarHBondContact OE2-NZ 3.34Å; D271-K274 CarbonylContact O-C 3.48Å; D271-K274 PolarHBondContact O-N 2.99Å; D271-K274 VanDerWaalsContact O-N 3.07Å; F272-K274 PolarHBondContact O-N 2.64Å; K274-E276 PolarHBondContact O-N 3.13Å
275	L	83.6	Confident	83.9	Confident	28 Å²	28	62.5 Å²	62.5	15%	0.147	32%	0.315	C	S	.	.			trans	-64.2	131.2	179.2	-64.4	177.9	0	0	0	112	I193 L267 D271 F272 T277 I280 I285	I193-L275 HydrophobicContact CD1-CB 4.25Å; I193-L275 HydrophobicContact CD1-CD1 4.46Å; L267-L275 HydrophobicContact CD1-CD1 3.91Å; L267-L275 HydrophobicContact CD1-CD2 4.06Å; D271-L275 PolarHBondContact O-N 2.96Å; F272-L275 HydrophobicContact CD2-CD1 3.47Å; F272-L275 VanDerWaalsContact CD2-CD1 3.47Å; F272-L275 HydrophobicContact CD2-CG 4.43Å; F272-L275 HydrophobicContact CE2-CD1 3.76Å; F272-L275 HydrophobicContact CG-CD1 4.27Å; F272-L275 VanDerWaalsContact O-CG 3.32Å; F272-L275 WeakPolarHBondContact O-CG 3.38Å; F272-L275 PolarHBondContact O-N 3.4Å; L275-T277 VanDerWaalsContact C-N 3.34Å; L275-T277 PolarHBondContact O-N 2.86Å; L275-I280 HydrophobicContact CB-CD1 4.19Å; L275-I280 HydrophobicContact CD1-CD1 4.42Å; L275-I280 HydrophobicContact CD2-CD1 3.65Å; L275-I280 HydrophobicContact CG-CD1 4.27Å; L275-I285 HydrophobicContact CD1-CD1 4.23Å
276	E	85.7	Confident	84.3	Confident	110 Å²	110	60 Å²	60	51%	0.514	30%	0.303	S	S	.	.			trans	-69.9	90.1	166.4	-62.5	-178	114.9	0	0	109.1	K274 D278 K279	K274-E276 PolarHBondContact O-N 3.13Å; E276-D278 PolarHBondContact O-N 2.96Å; E276-K279 HydrophobicContact CB-CB 4.41Å; E276-K279 HydrophobicContact CB-CD 4.12Å; E276-K279 HydrophobicContact CB-CG 4.12Å; E276-K279 PolarHBondContact O-N 2.68Å; E276-K279 WeakPolarHBondContact OE1-CE 3.47Å; E276-K279 IonicContact OE1-NZ 2.86Å; E276-K279 PolarHBondContact OE1-NZ 3.16Å; E276-K279 WeakPolarHBondContact OE2-CD 3.46Å; E276-K279 WeakPolarHBondContact OE2-CE 3.43Å; E276-K279 IonicContact OE2-NZ 2.65Å; E276-K279 PolarHBondContact OE2-NZ 3.44Å
277	T	85.9	Confident	84.5	Confident	33 Å²	33	57.6 Å²	57.6	20%	0.202	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60	-19.1	-171.5	55.2	0	0	0	0	114.7	L189 R190 I193 L275	L189-T277 HydrophobicContact CG-CG2 4.25Å; R190-T277 HydrophobicContact CB-CG2 4.19Å; I193-T277 HydrophobicContact CD1-CG2 3.7Å; L275-T277 VanDerWaalsContact C-N 3.34Å; L275-T277 PolarHBondContact O-N 2.86Å
278	D	83.5	Confident	84.6	Confident	124 Å²	124	56.9 Å²	56.9	66%	0.663	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.7	-26.1	173.8	56.1	-61.8	0	0	0	113.2	E276	E276-D278 PolarHBondContact O-N 2.96Å
279	K	84.3	Confident	84.5	Confident	132 Å²	132	56.4 Å²	56.4	57%	0.574	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.6	-5.4	-176.4	-50.4	-173.8	-163.2	163.7	0	113.5	E276	E276-K279 HydrophobicContact CB-CB 4.41Å; E276-K279 HydrophobicContact CB-CD 4.12Å; E276-K279 HydrophobicContact CB-CG 4.12Å; E276-K279 PolarHBondContact O-N 2.68Å; E276-K279 WeakPolarHBondContact OE1-CE 3.47Å; E276-K279 IonicContact OE1-NZ 2.86Å; E276-K279 PolarHBondContact OE1-NZ 3.16Å; E276-K279 WeakPolarHBondContact OE2-CD 3.46Å; E276-K279 WeakPolarHBondContact OE2-CE 3.43Å; E276-K279 IonicContact OE2-NZ 2.65Å; E276-K279 PolarHBondContact OE2-NZ 3.44Å
280	I	84.6	Confident	84.4	Confident	22 Å²	22	55.9 Å²	55.9	11%	0.113	28%	0.282	C	S	.	.	S	Bend	trans	-126.5	116.4	-172.5	-62.9	178.8	0	0	0	110	L189 L275 F282 I285	L189-I280 HydrophobicContact CD2-CB 4.45Å; L189-I280 HydrophobicContact CD2-CG2 4.12Å; L275-I280 HydrophobicContact CB-CD1 4.19Å; L275-I280 HydrophobicContact CD1-CD1 4.42Å; L275-I280 HydrophobicContact CD2-CD1 3.65Å; L275-I280 HydrophobicContact CG-CD1 4.27Å; I280-F282 PolarHBondContact O-N 2.96Å; I280-I285 HydrophobicContact CG2-CD1 4.11Å; I280-I285 HydrophobicContact CG2-CG1 4.42Å
281	S	87	Confident	84.1	Confident	73 Å²	73	55.8 Å²	55.8	51%	0.51	29%	0.285	S	S	.	.			trans	-64.2	131.6	177.3	178.7	0	0	0	0	110.8	N283 S284	S281-N283 PolarHBondContact O-N 3.48Å; S281-S284 VanDerWaalsContact O-CB 3.32Å; S281-S284 WeakPolarHBondContact O-CB 3.44Å; S281-S284 PolarHBondContact O-N 3.38Å; S281-S284 PolarHBondContact O-OG 3.21Å
282	F	90.1	Very high	83.8	Confident	23 Å²	23	59 Å²	59	10%	0.101	29%	0.291	C	S	.	.	G	3₁₀ helix	trans	-56.9	-39	179.4	-163.6	-172.5	0	0	0	112.2	I187 T188 L189 L192 I280 S284 I285 G296 E297 A300	I187-F282 HydrophobicContact CG2-CE1 4.13Å; I187-F282 HydrophobicContact CG2-CZ 4.37Å; I187-F282 WeakPolarHBondContact O-CE1 3.29Å; T188-F282 VanDerWaalsContact C-CE1 3.41Å; L189-F282 HydrophobicContact CB-CB 4.17Å; L189-F282 HydrophobicContact CB-CD2 3.67Å; L189-F282 HydrophobicContact CB-CE2 4.1Å; L189-F282 HydrophobicContact CB-CG 3.91Å; L189-F282 HydrophobicContact CD1-CD2 3.85Å; L189-F282 HydrophobicContact CD1-CE2 3.94Å; L189-F282 HydrophobicContact CG-CD2 4.28Å; L192-F282 HydrophobicContact CB-CZ 4.46Å; L192-F282 HydrophobicContact CD2-CE2 4.01Å; L192-F282 HydrophobicContact CD2-CZ 4.48Å; I280-F282 PolarHBondContact O-N 2.96Å; F282-S284 PolarHBondContact O-N 2.84Å; F282-S284 VanDerWaalsContact O-N 3.12Å; F282-I285 WeakPolarHBondContact O-CB 3.39Å; F282-I285 PolarHBondContact O-N 3.49Å; F282-G296 WeakPolarHBondContact CE2-O 3.26Å; F282-G296 WeakPolarHBondContact CZ-O 2.87Å; F282-E297 HydrophobicContact CD1-CB 4.34Å; F282-E297 HydrophobicContact CD1-CG 4.26Å; F282-E297 HydrophobicContact CE1-CB 4.15Å; F282-E297 HydrophobicContact CE1-CG 4.04Å; F282-E297 HydrophobicContact CZ-CB 4.44Å; F282-A300 HydrophobicContact CZ-CB 3.7Å
283	N	87.4	Confident	83.8	Confident	100 Å²	100	59.1 Å²	59.1	54%	0.535	29%	0.292	S	S	.	.	G	3₁₀ helix	trans	-65.4	-13	177.5	-54.4	58.3	0	0	0	113.6	S281 W286	S281-N283 PolarHBondContact O-N 3.48Å; N283-W286 PolarHBondContact O-NE1 3.12Å
284	S	90.6	Very high	84.3	Confident	16 Å²	16	57.7 Å²	57.7	11%	0.112	28%	0.284	C	S	.	.	G	3₁₀ helix	trans	-81.9	-16.7	171.6	75.6	0	0	0	0	113.3	R210 L211 S281 F282	R210-S284 CarbonylContact C-O 3.49Å; R210-S284 WeakPolarHBondContact CA-O 3.24Å; L211-S284 PolarHBondContact N-O 3.39Å; S281-S284 VanDerWaalsContact O-CB 3.32Å; S281-S284 WeakPolarHBondContact O-CB 3.44Å; S281-S284 PolarHBondContact O-N 3.38Å; S281-S284 PolarHBondContact O-OG 3.21Å; F282-S284 PolarHBondContact O-N 2.84Å; F282-S284 VanDerWaalsContact O-N 3.12Å
285	I	93.4	Very high	84.8	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	130.1	178.6	-58.8	-56.3	0	0	0	110.1	L189 I208 Y209 R210 L267 F272 L275 I280 F282 G296	L189-I285 HydrophobicContact CD1-CG1 3.97Å; L189-I285 HydrophobicContact CD2-CG1 3.98Å; I208-I285 HydrophobicContact CG2-CG2 3.85Å; Y209-I285 WeakPolarHBondContact O-CA 3.17Å; R210-I285 HydrophobicContact CB-CD1 4.18Å; R210-I285 HydrophobicContact CG-CD1 4.2Å; L267-I285 HydrophobicContact CD1-CD1 4.14Å; F272-I285 HydrophobicContact CE2-CD1 4.29Å; F272-I285 HydrophobicContact CE2-CG1 4.37Å; F272-I285 HydrophobicContact CE2-CG2 3.81Å; F272-I285 HydrophobicContact CZ-CG2 4.37Å; L275-I285 HydrophobicContact CD1-CD1 4.23Å; I280-I285 HydrophobicContact CG2-CD1 4.11Å; I280-I285 HydrophobicContact CG2-CG1 4.42Å; F282-I285 WeakPolarHBondContact O-CB 3.39Å; F282-I285 PolarHBondContact O-N 3.49Å; I285-G296 PolarHBondContact O-N 2.91Å
286	W	93.6	Very high	85	Confident	4 Å²	4	50.5 Å²	50.5	2%	0.015	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	146.8	178	-77.3	71.2	0	0	0	109.5	I208 Y209 L211 N283 M294 D319 H322 A324 Y325 I328	I208-W286 CarbonylContact C-O 3.54Å; I208-W286 WeakPolarHBondContact CA-O 3.48Å; Y209-W286 PolarHBondContact N-O 3.13Å; Y209-W286 PolarHBondContact O-N 2.8Å; L211-W286 VanDerWaalsContact CD1-CD1 3.44Å; L211-W286 HydrophobicContact CD1-CG 4.49Å; N283-W286 PolarHBondContact O-NE1 3.12Å; W286-M294 WeakPolarHBondContact CA-O 3.48Å; W286-D319 HydrophobicContact CH2-CB 4.17Å; W286-D319 HydrophobicContact CZ3-CB 4.26Å; W286-H322 AromaticContact CE2-ND1 3.88Å; W286-H322 HydrophobicContact CH2-CB 3.72Å; W286-H322 AromaticContact CH2-CG 3.9Å; W286-H322 AromaticContact CH2-ND1 3.62Å; W286-H322 HydrophobicContact CZ2-CB 4.02Å; W286-H322 AromaticContact CZ2-CE1 3.73Å; W286-H322 AromaticContact CZ2-CG 3.65Å; W286-H322 AromaticContact CZ2-ND1 3.06Å; W286-H322 WeakPolarHBondContact CZ2-ND1 3.45Å; W286-A324 HydrophobicContact CZ2-CB 4.43Å; W286-Y325 HydrophobicContact CZ3-CD2 4.19Å; W286-I328 HydrophobicContact CB-CD1 4.42Å; W286-I328 HydrophobicContact CB-CG1 3.86Å; W286-I328 HydrophobicContact CB-CG2 4.11Å; W286-I328 HydrophobicContact CD2-CG1 4.22Å; W286-I328 HydrophobicContact CG-CG1 3.87Å
287	I	89.9	Confident	85.2	Confident	2 Å²	2	48 Å²	48	1%	0.01	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	128.4	-178	-55.9	-169.5	0	0	0	108.6	L192 F206 I208 M294 A299	L192-I287 HydrophobicContact CD2-CD1 4.45Å; F206-I287 HydrophobicContact CB-CG2 3.94Å; F206-I287 HydrophobicContact CD1-CG2 3.34Å; F206-I287 HydrophobicContact CD2-CG2 4.5Å; F206-I287 HydrophobicContact CE1-CG2 3.91Å; F206-I287 HydrophobicContact CG-CG2 3.71Å; I208-I287 HydrophobicContact CD1-CD1 4.33Å; I208-I287 HydrophobicContact CG1-CD1 4.31Å; I208-I287 HydrophobicContact CG1-CG1 4.19Å; I208-I287 HydrophobicContact CG2-CG1 4.48Å; I287-M294 HydrophobicContact CB-CG 4.31Å; I287-M294 PolarHBondContact N-O 3.04Å; I287-M294 PolarHBondContact O-N 3.34Å; I287-A299 HydrophobicContact CD1-CB 3.82Å; I287-A299 HydrophobicContact CG1-CB 4.47Å
288	V	85.5	Confident	85.3	Confident	0 Å²	0	46.6 Å²	46.6	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	134.1	174.7	-170.1	0	0	0	0	109.3	E205 F206 Y207 Y209 R292 C293 I328 H332	E205-V288 VanDerWaalsContact O-O 3.14Å; F206-V288 WeakPolarHBondContact CA-O 3.24Å; Y207-V288 PolarHBondContact N-O 3.48Å; Y207-V288 PolarHBondContact O-N 3.34Å; Y209-V288 HydrophobicContact CD2-CG2 3.95Å; Y209-V288 HydrophobicContact CE2-CG2 4Å; V288-R292 WeakPolarHBondContact CA-O 3.36Å; V288-R292 WeakPolarHBondContact CG1-O 3.48Å; V288-C293 HydrophobicContact CG2-CB 4.36Å; V288-I328 HydrophobicContact CG2-CG2 3.51Å; V288-H332 HydrophobicContact CG1-CB 4.41Å; V288-H332 VanDerWaalsContact CG1-CD2 3.46Å; V288-H332 WeakPolarHBondContact CG1-CD2 3.37Å; V288-H332 HydrophobicContact CG2-CB 4.26Å
289	W	76	Confident	85.4	Confident	98 Å²	98	40.8 Å²	40.8	37%	0.371	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	121.3	178.7	-179.3	49	0	0	0	110.8	E205 F206 D291 R292	E205-W289 PolarHBondContact OE2-NE1 3.48Å; F206-W289 HydrophobicContact CD1-CB 3.77Å; F206-W289 HydrophobicContact CD1-CG 4.13Å; F206-W289 HydrophobicContact CE1-CB 3.75Å; F206-W289 AromaticContact CE1-CG 3.95Å; F206-W289 HydrophobicContact CE1-CG 3.95Å; W289-D291 PolarHBondContact O-N 2.89Å; W289-R292 PolarHBondContact N-O 3.46Å; W289-R292 PolarHBondContact O-N 3.43Å
290	S	70.1	Confident	85.5	Confident	47 Å²	47	34.5 Å²	34.5	33%	0.329	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	46.3	-102	-161.8	-162	0	0	0	0	109.6	R336	S290-R336 PolarHBondContact O-NH1 2.99Å; S290-R336 PolarHBondContact O-NH2 2.86Å
291	D	68.2	Low	85.5	Confident	105 Å²	105	36.8 Å²	36.8	56%	0.561	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	-124.3	7.9	-174.9	-41.8	-75.5	0	0	0	111.5	W289 R336	W289-D291 PolarHBondContact O-N 2.89Å; D291-R336 IonicContact OD1-NH1 3.06Å; D291-R336 PolarHBondContact OD1-NH1 3.17Å
292	R	72.4	Confident	85.2	Confident	146 Å²	146	35.1 Å²	35.1	55%	0.551	17%	0.167	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-96.7	137.7	174.2	-52.5	-173	-161.9	-133.3	4.3	109.8	V288 W289	V288-R292 WeakPolarHBondContact CA-O 3.36Å; V288-R292 WeakPolarHBondContact CG1-O 3.48Å; W289-R292 PolarHBondContact N-O 3.46Å; W289-R292 PolarHBondContact O-N 3.43Å
293	C	85.4	Confident	84.7	Confident	2 Å²	2	35.6 Å²	35.6	1%	0.014	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	139.4	178.3	-174.7	0	0	0	0	108.8	V288 Y325 L329	V288-C293 HydrophobicContact CG2-CB 4.36Å; C293-Y325 HydrophobicContact CB-CD2 3.88Å; C293-Y325 HydrophobicContact CB-CE2 3.65Å; C293-Y325 VanDerWaalsContact O-CE2 3.24Å; C293-Y325 WeakPolarHBondContact O-CE2 3.48Å; C293-L329 HydrophobicContact CB-CD1 3.63Å; C293-L329 HydrophobicContact CB-CG 3.77Å
294	M	91.4	Very high	84.4	Confident	12 Å²	12	33.7 Å²	33.7	6%	0.059	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	157	179.7	68.5	-170	79.3	0	0	111.2	W286 I287 T298 A299 I302 L316 D319	W286-M294 WeakPolarHBondContact CA-O 3.48Å; I287-M294 HydrophobicContact CB-CG 4.31Å; I287-M294 PolarHBondContact N-O 3.04Å; I287-M294 PolarHBondContact O-N 3.34Å; M294-T298 HydrophobicContact CB-CG2 4.05Å; M294-T298 HydrophobicContact SD-CG2 4.42Å; M294-A299 HydrophobicContact CG-CB 4.12Å; M294-A299 HydrophobicContact SD-CB 3.8Å; M294-I302 HydrophobicContact SD-CD1 4.17Å; M294-L316 HydrophobicContact CB-CD2 3.87Å; M294-L316 HydrophobicContact CE-CD2 4.02Å; M294-L316 HydrophobicContact SD-CD2 4.39Å; M294-D319 WeakPolarHBondContact CA-OD2 3.18Å
295	S	92.1	Very high	83.7	Confident	12 Å²	12	37.5 Å²	37.5	8%	0.084	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72	153.2	171.7	62.6	0	0	0	0	110.7	E297 T298 A299 D319	S295-E297 PolarHBondContact O-N 3.45Å; S295-T298 PolarHBondContact O-N 2.64Å; S295-T298 VanDerWaalsContact O-N 3.12Å; S295-T298 PolarHBondContact OG-N 3.04Å; S295-T298 PolarHBondContact OG-OG1 2.93Å; S295-A299 PolarHBondContact O-N 2.86Å; S295-D319 VanDerWaalsContact CB-OD1 3.28Å; S295-D319 WeakPolarHBondContact CB-OD1 3.26Å; S295-D319 PolarHBondContact N-OD2 3.48Å; S295-D319 PolarHBondContact OG-OD1 2.83Å; S295-D319 PolarHBondContact OG-OD2 3.45Å; S295-D319 VanDerWaalsContact OG-OD2 3.11Å
296	G	88.8	Confident	82.5	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-58.3	-29.2	174.1	0	0	0	0	0	112.8	F282 I285 A300	F282-G296 WeakPolarHBondContact CE2-O 3.26Å; F282-G296 WeakPolarHBondContact CZ-O 2.87Å; I285-G296 PolarHBondContact O-N 2.91Å; G296-A300 VanDerWaalsContact O-CB 3.26Å; G296-A300 WeakPolarHBondContact O-CB 3.34Å; G296-A300 PolarHBondContact O-N 2.66Å
297	E	89	Confident	81.6	Confident	57 Å²	57	45 Å²	45	27%	0.266	22%	0.215	S	C	.	.	H	α-helix	trans	-69.2	-41.3	175.7	-158.7	-167.1	127.5	0	0	112	F282 S295 R301	F282-E297 HydrophobicContact CD1-CB 4.34Å; F282-E297 HydrophobicContact CD1-CG 4.26Å; F282-E297 HydrophobicContact CE1-CB 4.15Å; F282-E297 HydrophobicContact CE1-CG 4.04Å; F282-E297 HydrophobicContact CZ-CB 4.44Å; S295-E297 PolarHBondContact O-N 3.45Å; E297-R301 PolarHBondContact O-N 3.04Å; E297-R301 IonicContact OE1-CZ 3.95Å; E297-R301 IonicContact OE1-NH1 3.24Å; E297-R301 PolarHBondContact OE1-NH1 3.29Å; E297-R301 IonicContact OE1-NH2 2.62Å; E297-R301 PolarHBondContact OE1-NH2 2.85Å
298	T	88.7	Confident	80.7	Confident	3 Å²	3	47.5 Å²	47.5	2%	0.018	23%	0.232	C	C	.	.	H	α-helix	trans	-65.3	-48.6	171.7	-69.7	0	0	0	0	111.2	M294 S295 A300 R301 I302 H315 L316 D319	M294-T298 HydrophobicContact CB-CG2 4.05Å; M294-T298 HydrophobicContact SD-CG2 4.42Å; S295-T298 PolarHBondContact O-N 2.64Å; S295-T298 VanDerWaalsContact O-N 3.12Å; S295-T298 PolarHBondContact OG-N 3.04Å; S295-T298 PolarHBondContact OG-OG1 2.93Å; T298-A300 VanDerWaalsContact C-N 3.28Å; T298-A300 PolarHBondContact O-N 3.06Å; T298-R301 PolarHBondContact O-N 2.98Å; T298-R301 VanDerWaalsContact O-N 3.15Å; T298-I302 HydrophobicContact CG2-CD1 3.75Å; T298-I302 HydrophobicContact CG2-CG1 4.4Å; T298-I302 VanDerWaalsContact O-CG1 3.3Å; T298-I302 WeakPolarHBondContact O-CG1 3.36Å; T298-I302 PolarHBondContact O-N 2.82Å; T298-H315 HydrophobicContact CG2-CB 3.9Å; T298-L316 HydrophobicContact CG2-CD2 4.27Å; T298-D319 WeakPolarHBondContact CB-OD2 3.21Å; T298-D319 WeakPolarHBondContact CG2-OD2 3.35Å; T298-D319 PolarHBondContact OG1-OD2 2.87Å
299	A	85.4	Confident	79.9	Confident	3 Å²	3	52.9 Å²	52.9	3%	0.025	26%	0.258	C	S	.	.	H	α-helix	trans	-56.3	-43.9	177.7	0	0	0	0	0	111.8	I287 M294 S295 I302 L303	I287-A299 HydrophobicContact CD1-CB 3.82Å; I287-A299 HydrophobicContact CG1-CB 4.47Å; M294-A299 HydrophobicContact CG-CB 4.12Å; M294-A299 HydrophobicContact SD-CB 3.8Å; S295-A299 PolarHBondContact O-N 2.86Å; A299-I302 PolarHBondContact O-N 3.13Å; A299-L303 WeakPolarHBondContact O-CG 3.01Å; A299-L303 PolarHBondContact O-N 2.79Å
300	A	86.9	Confident	79.7	Confident	0 Å²	0	52.9 Å²	52.9	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-68.2	-37.5	177.5	0	0	0	0	0	113.1	I187 L192 F282 G296 T298 I302 L303 L304	I187-A300 HydrophobicContact CG2-CB 3.58Å; L192-A300 HydrophobicContact CB-CB 3.94Å; L192-A300 HydrophobicContact CD1-CB 4.07Å; L192-A300 HydrophobicContact CD2-CB 4.3Å; L192-A300 HydrophobicContact CG-CB 4.32Å; F282-A300 HydrophobicContact CZ-CB 3.7Å; G296-A300 VanDerWaalsContact O-CB 3.26Å; G296-A300 WeakPolarHBondContact O-CB 3.34Å; G296-A300 PolarHBondContact O-N 2.66Å; T298-A300 VanDerWaalsContact C-N 3.28Å; T298-A300 PolarHBondContact O-N 3.06Å; A300-I302 VanDerWaalsContact C-N 3.33Å; A300-I302 PolarHBondContact O-N 3.3Å; A300-L303 PolarHBondContact O-N 2.92Å; A300-L304 HydrophobicContact CB-CD1 4.14Å; A300-L304 WeakPolarHBondContact O-CB 3.49Å; A300-L304 VanDerWaalsContact O-CG 3.31Å; A300-L304 WeakPolarHBondContact O-CG 3.21Å; A300-L304 PolarHBondContact O-N 2.92Å
301	R	84	Confident	79.9	Confident	69 Å²	69	54.8 Å²	54.8	26%	0.26	27%	0.272	S	S	.	.	H	α-helix	trans	-59	-45.1	170.1	-79.6	-170.7	-177.4	84.8	6.4	111.9	I187 E297 T298 L303 K305 L307 H315	I187-R301 HydrophobicContact CD1-CB 4.36Å; I187-R301 HydrophobicContact CD1-CG 3.73Å; E297-R301 PolarHBondContact O-N 3.04Å; E297-R301 IonicContact OE1-CZ 3.95Å; E297-R301 IonicContact OE1-NH1 3.24Å; E297-R301 PolarHBondContact OE1-NH1 3.29Å; E297-R301 IonicContact OE1-NH2 2.62Å; E297-R301 PolarHBondContact OE1-NH2 2.85Å; T298-R301 PolarHBondContact O-N 2.98Å; T298-R301 VanDerWaalsContact O-N 3.15Å; R301-L303 PolarHBondContact O-N 2.88Å; R301-K305 PolarHBondContact O-N 3.35Å; R301-L307 HydrophobicContact CB-CD1 3.93Å; R301-H315 WeakPolarHBondContact CD-CE1 3.22Å; R301-H315 VanDerWaalsContact CD-NE2 3.32Å; R301-H315 WeakPolarHBondContact CD-NE2 3.41Å; R301-H315 PolarHBondContact NE-CE1 3.14Å
302	I	80.3	Confident	80.3	Confident	39 Å²	39	52.5 Å²	52.5	20%	0.2	26%	0.257	C	S	.	.	H	α-helix	trans	-61.3	-44.2	-179.3	-68.3	172.5	0	0	0	111	M294 T298 A299 A300 L307 K312	M294-I302 HydrophobicContact SD-CD1 4.17Å; T298-I302 HydrophobicContact CG2-CD1 3.75Å; T298-I302 HydrophobicContact CG2-CG1 4.4Å; T298-I302 VanDerWaalsContact O-CG1 3.3Å; T298-I302 WeakPolarHBondContact O-CG1 3.36Å; T298-I302 PolarHBondContact O-N 2.82Å; A299-I302 PolarHBondContact O-N 3.13Å; A300-I302 VanDerWaalsContact C-N 3.33Å; A300-I302 PolarHBondContact O-N 3.3Å; I302-L307 HydrophobicContact CG1-CD1 4.4Å; I302-K312 HydrophobicContact CG1-CG 4.22Å
303	L	80.2	Confident	80.5	Confident	33 Å²	33	49.4 Å²	49.4	17%	0.173	25%	0.252	C	S	.	.	H	α-helix	trans	-79.4	-34.4	-177.4	-67.9	172.5	0	0	0	114.2	L192 Y195 L196 A299 A300 R301	L192-L303 HydrophobicContact CD1-CD1 3.9Å; Y195-L303 HydrophobicContact CD1-CB 4.28Å; Y195-L303 HydrophobicContact CD1-CD1 4.45Å; Y195-L303 HydrophobicContact CE1-CB 3.81Å; Y195-L303 HydrophobicContact CE1-CD1 4.23Å; Y195-L303 HydrophobicContact CE1-CD2 4.13Å; Y195-L303 HydrophobicContact CE1-CG 4.27Å; Y195-L303 WeakPolarHBondContact CE2-O 3.48Å; Y195-L303 PolarHBondContact OH-O 3.15Å; L196-L303 HydrophobicContact CD2-CD1 4.5Å; A299-L303 WeakPolarHBondContact O-CG 3.01Å; A299-L303 PolarHBondContact O-N 2.79Å; A300-L303 PolarHBondContact O-N 2.92Å; R301-L303 PolarHBondContact O-N 2.88Å
304	L	80.3	Confident	80.1	Confident	60 Å²	60	54.2 Å²	54.2	31%	0.314	28%	0.276	S	S	.	.	H	α-helix	trans	-95	-28.5	-173.2	-66.8	166.6	0	0	0	114.5	I187 D191 Y195 A300	I187-L304 HydrophobicContact CD1-CD1 4.34Å; I187-L304 HydrophobicContact CG1-CD1 4.28Å; I187-L304 HydrophobicContact CG2-CD1 3.53Å; D191-L304 HydrophobicContact CB-CD1 4.03Å; Y195-L304 HydrophobicContact CD2-CD2 3.54Å; Y195-L304 HydrophobicContact CE2-CD2 4.31Å; Y195-L304 HydrophobicContact CG-CD2 3.94Å; A300-L304 HydrophobicContact CB-CD1 4.14Å; A300-L304 WeakPolarHBondContact O-CB 3.49Å; A300-L304 VanDerWaalsContact O-CG 3.31Å; A300-L304 WeakPolarHBondContact O-CG 3.21Å; A300-L304 PolarHBondContact O-N 2.92Å
305	K	76.5	Confident	79.7	Confident	96 Å²	96	55.5 Å²	55.5	42%	0.417	28%	0.282	S	S	.	.	S	Bend	trans	-115.9	12.2	-171	-64.6	-164.3	175.2	-176.9	0	114.6	E185 I187 R301 L307	E185-K305 PolarHBondContact O-NZ 2.8Å; I187-K305 HydrophobicContact CD1-CD 4.01Å; I187-K305 HydrophobicContact CD1-CG 4.16Å; R301-K305 PolarHBondContact O-N 3.35Å; K305-L307 HydrophobicContact CB-CD2 4.34Å; K305-L307 PolarHBondContact O-N 3.3Å
306	N	67.9	Low	79.3	Confident	144 Å²	144	56.5 Å²	56.5	77%	0.77	29%	0.286	S	S	*	.			trans	47.1	38.7	174.1	-77	-15.6	0	0	0	114.5
307	L	73.7	Confident	78.8	Confident	16 Å²	16	62.9 Å²	62.9	8%	0.084	32%	0.316	C	S	.	.			trans	-49.9	142.2	-173.2	-67.4	-174.6	0	0	0	113.5	R301 I302 K305 E311 K312	R301-L307 HydrophobicContact CB-CD1 3.93Å; I302-L307 HydrophobicContact CG1-CD1 4.4Å; K305-L307 HydrophobicContact CB-CD2 4.34Å; K305-L307 PolarHBondContact O-N 3.3Å; L307-E311 HydrophobicContact CB-CB 4.06Å; L307-E311 HydrophobicContact CD1-CB 4.22Å; L307-E311 HydrophobicContact CD2-CB 4.17Å; L307-E311 HydrophobicContact CG-CB 4.39Å; L307-K312 HydrophobicContact CB-CG 3.91Å; L307-K312 WeakPolarHBondContact O-CE 3.27Å; L307-K312 PolarHBondContact O-NZ 3.36Å
308	S	71.3	Confident	78.6	Confident	55 Å²	55	67.2 Å²	67.2	39%	0.385	33%	0.334	S	S	.	.			trans	-61.3	161	169.3	71.5	0	0	0	0	111.1	T310 E311 K312	S308-T310 PolarHBondContact O-N 3.08Å; S308-E311 WeakPolarHBondContact CB-OE2 3.46Å; S308-E311 PolarHBondContact N-OE2 3.35Å; S308-E311 PolarHBondContact O-N 3.11Å; S308-E311 WeakPolarHBondContact OG-CG 3.49Å; S308-E311 PolarHBondContact OG-N 3.18Å; S308-E311 PolarHBondContact OG-OE2 3.1Å; S308-K312 WeakPolarHBondContact O-CG 3.46Å; S308-K312 PolarHBondContact O-N 2.85Å
309	Q	69.1	Low	78.5	Confident	113 Å²	113	67.8 Å²	67.8	53%	0.528	34%	0.337	S	S	.	.	H	α-helix	trans	-63	-30.7	-178.7	-167.2	55.9	42.2	0	0	112.7	N313	Q309-N313 PolarHBondContact NE2-OD1 3.13Å; Q309-N313 PolarHBondContact O-N 3.15Å; Q309-N313 PolarHBondContact O-ND2 3.37Å; Q309-N313 PolarHBondContact O-OD1 2.76Å
310	T	72.2	Confident	78.5	Confident	98 Å²	98	70.4 Å²	70.4	60%	0.601	35%	0.353	S	S	*	.	H	α-helix	trans	-65.9	-48.4	175.6	-46.6	0	0	0	0	111.3	S308 K312 N313 I314	S308-T310 PolarHBondContact O-N 3.08Å; T310-K312 PolarHBondContact O-N 2.96Å; T310-N313 PolarHBondContact O-N 3.04Å; T310-I314 HydrophobicContact CG2-CD1 4.16Å; T310-I314 WeakPolarHBondContact O-CG1 3.18Å; T310-I314 PolarHBondContact O-N 2.89Å
311	E	74.2	Confident	78.4	Confident	87 Å²	87	77.3 Å²	77.3	41%	0.407	39%	0.389	S	S	.	.	H	α-helix	trans	-64.8	-39.8	177.8	-66.7	163.3	105.6	0	0	112.2	L307 S308 N313 I314 H315	L307-E311 HydrophobicContact CB-CB 4.06Å; L307-E311 HydrophobicContact CD1-CB 4.22Å; L307-E311 HydrophobicContact CD2-CB 4.17Å; L307-E311 HydrophobicContact CG-CB 4.39Å; S308-E311 WeakPolarHBondContact CB-OE2 3.46Å; S308-E311 PolarHBondContact N-OE2 3.35Å; S308-E311 PolarHBondContact O-N 3.11Å; S308-E311 WeakPolarHBondContact OG-CG 3.49Å; S308-E311 PolarHBondContact OG-N 3.18Å; S308-E311 PolarHBondContact OG-OE2 3.1Å; E311-N313 VanDerWaalsContact C-N 3.33Å; E311-N313 PolarHBondContact O-N 3.36Å; E311-I314 PolarHBondContact O-N 2.76Å; E311-H315 PolarHBondContact O-CD2 3.07Å; E311-H315 PolarHBondContact O-N 2.77Å
312	K	76.8	Confident	78.5	Confident	57 Å²	57	77.8 Å²	77.8	25%	0.248	39%	0.394	C	S	.	.	H	α-helix	trans	-55.3	-48.2	172.2	-76	168	171.1	146.2	0	111.2	I302 L307 S308 T310 H315 L316	I302-K312 HydrophobicContact CG1-CG 4.22Å; L307-K312 HydrophobicContact CB-CG 3.91Å; L307-K312 WeakPolarHBondContact O-CE 3.27Å; L307-K312 PolarHBondContact O-NZ 3.36Å; S308-K312 WeakPolarHBondContact O-CG 3.46Å; S308-K312 PolarHBondContact O-N 2.85Å; T310-K312 PolarHBondContact O-N 2.96Å; K312-H315 PolarHBondContact O-N 2.93Å; K312-L316 WeakPolarHBondContact O-CB 3.43Å; K312-L316 VanDerWaalsContact O-CG 3.27Å; K312-L316 WeakPolarHBondContact O-CG 3.08Å; K312-L316 PolarHBondContact O-N 3.42Å
313	N	75.3	Confident	78.6	Confident	82 Å²	82	80.4 Å²	80.4	44%	0.439	41%	0.414	S	S	.	.	H	α-helix	trans	-63.5	-46.2	179.9	-68.3	-5.6	0	0	0	111.5	Q309 T310 E311 H315 L316 E317	Q309-N313 PolarHBondContact NE2-OD1 3.13Å; Q309-N313 PolarHBondContact O-N 3.15Å; Q309-N313 PolarHBondContact O-ND2 3.37Å; Q309-N313 PolarHBondContact O-OD1 2.76Å; T310-N313 PolarHBondContact O-N 3.04Å; E311-N313 VanDerWaalsContact C-N 3.33Å; E311-N313 PolarHBondContact O-N 3.36Å; N313-H315 VanDerWaalsContact C-N 3.34Å; N313-H315 PolarHBondContact O-N 3.29Å; N313-L316 PolarHBondContact O-N 3.07Å; N313-E317 WeakPolarHBondContact O-CB 3.27Å; N313-E317 PolarHBondContact O-N 3.45Å
314	I	78.2	Confident	78.9	Confident	102 Å²	102	79 Å²	79	52%	0.523	41%	0.407	S	S	.	.	H	α-helix	trans	-59.2	-42.9	178.5	-68.1	163.7	0	0	0	111.6	T310 E311 K318	T310-I314 HydrophobicContact CG2-CD1 4.16Å; T310-I314 WeakPolarHBondContact O-CG1 3.18Å; T310-I314 PolarHBondContact O-N 2.89Å; E311-I314 PolarHBondContact O-N 2.76Å; I314-K318 WeakPolarHBondContact O-CB 3.3Å; I314-K318 PolarHBondContact O-N 2.8Å; I314-K318 VanDerWaalsContact O-N 3.11Å
315	H	83.3	Confident	79.3	Confident	40 Å²	40	78.1 Å²	78.1	19%	0.185	40%	0.4	C	S	.	.	H	α-helix	trans	-67.9	-41.3	177.4	-86.7	-69.8	0	0	0	113	T298 R301 E311 K312 N313 K318 D319	T298-H315 HydrophobicContact CG2-CB 3.9Å; R301-H315 WeakPolarHBondContact CD-CE1 3.22Å; R301-H315 VanDerWaalsContact CD-NE2 3.32Å; R301-H315 WeakPolarHBondContact CD-NE2 3.41Å; R301-H315 PolarHBondContact NE-CE1 3.14Å; E311-H315 PolarHBondContact O-CD2 3.07Å; E311-H315 PolarHBondContact O-N 2.77Å; K312-H315 PolarHBondContact O-N 2.93Å; N313-H315 VanDerWaalsContact C-N 3.34Å; N313-H315 PolarHBondContact O-N 3.29Å; H315-K318 PolarHBondContact O-N 3.05Å; H315-D319 PolarHBondContact O-N 3.33Å; H315-D319 VanDerWaalsContact O-N 3.14Å
316	L	82.8	Confident	79.7	Confident	32 Å²	32	78.6 Å²	78.6	17%	0.168	41%	0.406	C	S	.	.	H	α-helix	trans	-65.3	-44	176.6	-72	168	0	0	0	111.9	M294 T298 K312 N313 K318 D319 T320	M294-L316 HydrophobicContact CB-CD2 3.87Å; M294-L316 HydrophobicContact CE-CD2 4.02Å; M294-L316 HydrophobicContact SD-CD2 4.39Å; T298-L316 HydrophobicContact CG2-CD2 4.27Å; K312-L316 WeakPolarHBondContact O-CB 3.43Å; K312-L316 VanDerWaalsContact O-CG 3.27Å; K312-L316 WeakPolarHBondContact O-CG 3.08Å; K312-L316 PolarHBondContact O-N 3.42Å; N313-L316 PolarHBondContact O-N 3.07Å; L316-K318 VanDerWaalsContact C-N 3.32Å; L316-K318 PolarHBondContact O-N 2.79Å; L316-D319 PolarHBondContact O-N 3Å; L316-D319 VanDerWaalsContact O-N 3.14Å; L316-T320 WeakPolarHBondContact O-CG2 3.32Å; L316-T320 PolarHBondContact O-N 3.17Å
317	E	79.4	Confident	80.6	Confident	135 Å²	135	74.1 Å²	74.1	63%	0.631	38%	0.382	S	S	*	.	H	α-helix	trans	-59.8	-43.5	176.8	-173.6	174	-166.3	0	0	111.2	N313 D319 T320	N313-E317 WeakPolarHBondContact O-CB 3.27Å; N313-E317 PolarHBondContact O-N 3.45Å; E317-D319 VanDerWaalsContact C-N 3.31Å; E317-D319 PolarHBondContact O-N 3.03Å; E317-T320 WeakPolarHBondContact O-CB 3.41Å; E317-T320 PolarHBondContact O-N 2.64Å; E317-T320 VanDerWaalsContact O-N 3.09Å; E317-T320 PolarHBondContact O-OG1 2.62Å
318	K	83.7	Confident	81.3	Confident	148 Å²	148	73.4 Å²	73.4	64%	0.643	38%	0.378	S	S	*	.	H	α-helix	trans	-60.3	-36.4	174.7	-173.4	176.2	-179.1	177.3	0	113.1	I314 H315 L316 L321	I314-K318 WeakPolarHBondContact O-CB 3.3Å; I314-K318 PolarHBondContact O-N 2.8Å; I314-K318 VanDerWaalsContact O-N 3.11Å; H315-K318 PolarHBondContact O-N 3.05Å; L316-K318 VanDerWaalsContact C-N 3.32Å; L316-K318 PolarHBondContact O-N 2.79Å; K318-L321 PolarHBondContact O-N 3.36Å
319	D	87.9	Confident	82	Confident	14 Å²	14	71.8 Å²	71.8	8%	0.075	37%	0.365	C	S	.	.	H	α-helix	trans	-68.6	-31.6	174.8	-81.2	-29.5	0	0	0	112.5	W286 M294 S295 T298 H315 L316 E317 L321 H322 Y325	W286-D319 HydrophobicContact CH2-CB 4.17Å; W286-D319 HydrophobicContact CZ3-CB 4.26Å; M294-D319 WeakPolarHBondContact CA-OD2 3.18Å; S295-D319 VanDerWaalsContact CB-OD1 3.28Å; S295-D319 WeakPolarHBondContact CB-OD1 3.26Å; S295-D319 PolarHBondContact N-OD2 3.48Å; S295-D319 PolarHBondContact OG-OD1 2.83Å; S295-D319 PolarHBondContact OG-OD2 3.45Å; S295-D319 VanDerWaalsContact OG-OD2 3.11Å; T298-D319 WeakPolarHBondContact CB-OD2 3.21Å; T298-D319 WeakPolarHBondContact CG2-OD2 3.35Å; T298-D319 PolarHBondContact OG1-OD2 2.87Å; H315-D319 PolarHBondContact O-N 3.33Å; H315-D319 VanDerWaalsContact O-N 3.14Å; L316-D319 PolarHBondContact O-N 3Å; L316-D319 VanDerWaalsContact O-N 3.14Å; E317-D319 VanDerWaalsContact C-N 3.31Å; E317-D319 PolarHBondContact O-N 3.03Å; D319-L321 PolarHBondContact O-N 3.29Å; D319-H322 WeakPolarHBondContact O-CB 3.19Å; D319-H322 PolarHBondContact O-N 3.43Å; D319-Y325 WeakPolarHBondContact O-CB 3.42Å; D319-Y325 WeakPolarHBondContact O-CD2 3.5Å
320	T	85.4	Confident	82.6	Confident	58 Å²	58	70.1 Å²	70.1	36%	0.356	36%	0.358	S	S	.	.	H	α-helix	trans	-60.7	-29.2	176.9	74.2	0	0	0	0	113.4	L316 E317 H322 Y325	L316-T320 WeakPolarHBondContact O-CG2 3.32Å; L316-T320 PolarHBondContact O-N 3.17Å; E317-T320 WeakPolarHBondContact O-CB 3.41Å; E317-T320 PolarHBondContact O-N 2.64Å; E317-T320 VanDerWaalsContact O-N 3.09Å; E317-T320 PolarHBondContact O-OG1 2.62Å; T320-H322 VanDerWaalsContact C-N 3.28Å; T320-H322 PolarHBondContact O-N 2.7Å; T320-Y325 HydrophobicContact CG2-CD2 4.48Å; T320-Y325 HydrophobicContact CG2-CE1 4.43Å; T320-Y325 HydrophobicContact CG2-CE2 3.83Å
321	L	83.4	Confident	83.1	Confident	145 Å²	145	67.8 Å²	67.8	76%	0.759	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.4	-11.6	178.7	-59.9	175.8	0	0	0	113	K318 D319	K318-L321 PolarHBondContact O-N 3.36Å; D319-L321 PolarHBondContact O-N 3.29Å
322	H	86.3	Confident	83.6	Confident	79 Å²	79	63.9 Å²	63.9	37%	0.366	32%	0.321	S	S	.	.	S	Bend	trans	-76.9	133.9	-176.5	-171.9	-105.1	0	0	0	111.6	W286 D319 T320 A324 Y325	W286-H322 AromaticContact CE2-ND1 3.88Å; W286-H322 HydrophobicContact CH2-CB 3.72Å; W286-H322 AromaticContact CH2-CG 3.9Å; W286-H322 AromaticContact CH2-ND1 3.62Å; W286-H322 HydrophobicContact CZ2-CB 4.02Å; W286-H322 AromaticContact CZ2-CE1 3.73Å; W286-H322 AromaticContact CZ2-CG 3.65Å; W286-H322 AromaticContact CZ2-ND1 3.06Å; W286-H322 WeakPolarHBondContact CZ2-ND1 3.45Å; D319-H322 WeakPolarHBondContact O-CB 3.19Å; D319-H322 PolarHBondContact O-N 3.43Å; T320-H322 VanDerWaalsContact C-N 3.28Å; T320-H322 PolarHBondContact O-N 2.7Å; H322-A324 WeakPolarHBondContact ND1-CB 3.26Å; H322-A324 PolarHBondContact ND1-N 3.01Å; H322-A324 PolarHBondContact O-N 3.3Å; H322-Y325 VanDerWaalsContact O-CB 3.27Å; H322-Y325 WeakPolarHBondContact O-CB 3.48Å; H322-Y325 PolarHBondContact O-N 2.97Å
323	P	83.4	Confident	83.7	Confident	95 Å²	95	66.8 Å²	66.8	62%	0.617	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.4	-25.2	-175.9	-28.7	36	0	0	0	115.6
324	A	85.9	Confident	83.6	Confident	3 Å²	3	69.1 Å²	69.1	3%	0.025	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-21.8	177.3	0	0	0	0	0	114.2	L211 W286 H322 N326 I327 I328	L211-A324 HydrophobicContact CD1-CB 3.59Å; L211-A324 HydrophobicContact CD2-CB 3.86Å; L211-A324 HydrophobicContact CG-CB 4.35Å; W286-A324 HydrophobicContact CZ2-CB 4.43Å; H322-A324 WeakPolarHBondContact ND1-CB 3.26Å; H322-A324 PolarHBondContact ND1-N 3.01Å; H322-A324 PolarHBondContact O-N 3.3Å; A324-N326 PolarHBondContact O-N 2.83Å; A324-I327 WeakPolarHBondContact O-CA 3.33Å; A324-I327 WeakPolarHBondContact O-CB 3.25Å; A324-I327 PolarHBondContact O-N 3.26Å; A324-I328 WeakPolarHBondContact O-CG1 3.19Å; A324-I328 PolarHBondContact O-N 3.38Å
325	Y	88.8	Confident	83.1	Confident	42 Å²	42	67.1 Å²	67.1	17%	0.165	33%	0.327	C	S	.	.	H	α-helix	trans	-50.8	-53.9	-173.6	177.7	-90.6	0	0	0	112	W286 C293 D319 T320 H322 I327 I328 L329	W286-Y325 HydrophobicContact CZ3-CD2 4.19Å; C293-Y325 HydrophobicContact CB-CD2 3.88Å; C293-Y325 HydrophobicContact CB-CE2 3.65Å; C293-Y325 VanDerWaalsContact O-CE2 3.24Å; C293-Y325 WeakPolarHBondContact O-CE2 3.48Å; D319-Y325 WeakPolarHBondContact O-CB 3.42Å; D319-Y325 WeakPolarHBondContact O-CD2 3.5Å; T320-Y325 HydrophobicContact CG2-CD2 4.48Å; T320-Y325 HydrophobicContact CG2-CE1 4.43Å; T320-Y325 HydrophobicContact CG2-CE2 3.83Å; H322-Y325 VanDerWaalsContact O-CB 3.27Å; H322-Y325 WeakPolarHBondContact O-CB 3.48Å; H322-Y325 PolarHBondContact O-N 2.97Å; Y325-I327 VanDerWaalsContact C-N 3.31Å; Y325-I327 PolarHBondContact O-N 2.94Å; Y325-I328 PolarHBondContact O-N 3.36Å; Y325-L329 HydrophobicContact CD1-CD1 3.86Å; Y325-L329 HydrophobicContact CE1-CD1 3.3Å; Y325-L329 HydrophobicContact CE2-CD1 4.21Å; Y325-L329 HydrophobicContact CG-CD1 4.49Å; Y325-L329 VanDerWaalsContact CZ-CD1 3.49Å; Y325-L329 WeakPolarHBondContact O-CB 3.37Å; Y325-L329 PolarHBondContact O-N 3.03Å
326	N	85.5	Confident	82.3	Confident	105 Å²	105	69 Å²	69	56%	0.561	33%	0.333	S	S	*	.	H	α-helix	trans	-67.6	-28.4	177.3	-70.6	-42.8	0	0	0	113	A324 E330	A324-N326 PolarHBondContact O-N 2.83Å; N326-E330 WeakPolarHBondContact O-CB 3.23Å; N326-E330 WeakPolarHBondContact O-CG 3.38Å; N326-E330 PolarHBondContact O-N 2.84Å
327	I	85.8	Confident	80.4	Confident	51 Å²	51	69.4 Å²	69.4	26%	0.262	34%	0.344	S	S	.	.	H	α-helix	trans	-73.6	-42.5	179.9	-61.5	177.9	0	0	0	110.3	I262 A324 Y325 Q331	I262-I327 HydrophobicContact CB-CD1 3.78Å; I262-I327 HydrophobicContact CD1-CD1 3.78Å; I262-I327 HydrophobicContact CG1-CD1 4.28Å; I262-I327 HydrophobicContact CG2-CD1 4.15Å; I262-I327 HydrophobicContact CG2-CG2 4.33Å; A324-I327 WeakPolarHBondContact O-CA 3.33Å; A324-I327 WeakPolarHBondContact O-CB 3.25Å; A324-I327 PolarHBondContact O-N 3.26Å; Y325-I327 VanDerWaalsContact C-N 3.31Å; Y325-I327 PolarHBondContact O-N 2.94Å; I327-Q331 WeakPolarHBondContact O-CB 3.48Å; I327-Q331 PolarHBondContact O-N 3.27Å
328	I	88.8	Confident	78.3	Confident	0 Å²	0	67.6 Å²	67.6	0%	0	35%	0.347	C	S	.	.	H	α-helix	trans	-67.1	-44.5	174.4	-60.2	-50.5	0	0	0	110.7	Y209 L211 C264 W286 V288 A324 Y325 Q331 H332	Y209-I328 HydrophobicContact CD2-CG2 3.65Å; Y209-I328 HydrophobicContact CE2-CG2 4.39Å; Y209-I328 HydrophobicContact CG-CD1 4.38Å; Y209-I328 HydrophobicContact CG-CG2 3.85Å; L211-I328 HydrophobicContact CD2-CD1 3.69Å; L211-I328 HydrophobicContact CD2-CG1 4.36Å; L211-I328 HydrophobicContact CG-CD1 4.18Å; C264-I328 HydrophobicContact CB-CD1 3.56Å; C264-I328 VanDerWaalsContact SG-CD1 3.57Å; W286-I328 HydrophobicContact CB-CD1 4.42Å; W286-I328 HydrophobicContact CB-CG1 3.86Å; W286-I328 HydrophobicContact CB-CG2 4.11Å; W286-I328 HydrophobicContact CD2-CG1 4.22Å; W286-I328 HydrophobicContact CG-CG1 3.87Å; V288-I328 HydrophobicContact CG2-CG2 3.51Å; A324-I328 WeakPolarHBondContact O-CG1 3.19Å; A324-I328 PolarHBondContact O-N 3.38Å; Y325-I328 PolarHBondContact O-N 3.36Å; I328-Q331 PolarHBondContact O-N 2.86Å; I328-H332 VanDerWaalsContact O-CB 3.32Å; I328-H332 WeakPolarHBondContact O-CB 3.08Å; I328-H332 PolarHBondContact O-N 2.75Å
329	L	85.1	Confident	75.6	Confident	22 Å²	22	63 Å²	63	12%	0.115	33%	0.327	C	S	.	.	H	α-helix	trans	-61.7	-44.7	175.4	-100	156.4	0	0	0	112.7	C293 Y325 Q331 H332 K333	C293-L329 HydrophobicContact CB-CD1 3.63Å; C293-L329 HydrophobicContact CB-CG 3.77Å; Y325-L329 HydrophobicContact CD1-CD1 3.86Å; Y325-L329 HydrophobicContact CE1-CD1 3.3Å; Y325-L329 HydrophobicContact CE2-CD1 4.21Å; Y325-L329 HydrophobicContact CG-CD1 4.49Å; Y325-L329 VanDerWaalsContact CZ-CD1 3.49Å; Y325-L329 WeakPolarHBondContact O-CB 3.37Å; Y325-L329 PolarHBondContact O-N 3.03Å; L329-Q331 VanDerWaalsContact C-N 3.34Å; L329-H332 PolarHBondContact O-N 3.04Å; L329-K333 VanDerWaalsContact O-CG 3.31Å; L329-K333 WeakPolarHBondContact O-CG 3.37Å; L329-K333 PolarHBondContact O-N 2.87Å
330	E	82.3	Confident	72.6	Confident	78 Å²	78	70.1 Å²	70.1	36%	0.364	36%	0.358	S	S	.	.	H	α-helix	trans	-69.5	-30.3	177.3	-73.8	-63.9	123.2	0	0	112.7	N326 K333 R334	N326-E330 WeakPolarHBondContact O-CB 3.23Å; N326-E330 WeakPolarHBondContact O-CG 3.38Å; N326-E330 PolarHBondContact O-N 2.84Å; E330-K333 WeakPolarHBondContact OE1-CD 3.36Å; E330-K333 WeakPolarHBondContact OE1-CE 3.44Å; E330-K333 IonicContact OE1-NZ 2.75Å; E330-K333 PolarHBondContact OE1-NZ 2.85Å; E330-R334 WeakPolarHBondContact O-CG 3.3Å; E330-R334 PolarHBondContact O-N 2.8Å; E330-R334 PolarHBondContact O-NH1 3.28Å
331	Q	83.8	Confident	69.8	Low	49 Å²	49	72.8 Å²	72.8	23%	0.229	38%	0.376	C	S	.	.	H	α-helix	trans	-71.6	-42.1	170.6	-170	57.3	34.3	0	0	111.3	Y209 C264 I327 I328 L329 K333 R334 D335	Y209-Q331 HydrophobicContact CE1-CG 4.14Å; C264-Q331 VanDerWaalsContact SG-CB 3.58Å; I327-Q331 WeakPolarHBondContact O-CB 3.48Å; I327-Q331 PolarHBondContact O-N 3.27Å; I328-Q331 PolarHBondContact O-N 2.86Å; L329-Q331 VanDerWaalsContact C-N 3.34Å; Q331-K333 VanDerWaalsContact C-N 3.29Å; Q331-K333 PolarHBondContact O-N 2.71Å; Q331-R334 WeakPolarHBondContact O-CA 3.21Å; Q331-R334 WeakPolarHBondContact O-CB 3.4Å; Q331-R334 PolarHBondContact O-N 3.4Å; Q331-D335 PolarHBondContact NE2-OD1 3.41Å; Q331-D335 VanDerWaalsContact O-CG 3.23Å; Q331-D335 PolarHBondContact O-N 2.65Å
332	H	83.6	Confident	67	Low	4 Å²	4	74 Å²	74	2%	0.019	38%	0.382	C	S	.	.	H	α-helix	trans	-61	-38.3	176.3	-170	54.4	0	0	0	112.6	Y207 Y209 V288 I328 L329 R334 D335 R336	Y207-H332 AromaticContact CD1-CE1 3.45Å; Y207-H332 VanDerWaalsContact CD1-CE1 3.45Å; Y207-H332 WeakPolarHBondContact CD1-CE1 3.06Å; Y207-H332 AromaticContact CD1-ND1 3.86Å; Y207-H332 AromaticContact CD2-CE1 3.27Å; Y207-H332 WeakPolarHBondContact CD2-CE1 3.15Å; Y207-H332 AromaticContact CD2-NE2 3.85Å; Y207-H332 AromaticContact CE1-CE1 3.76Å; Y207-H332 AromaticContact CE2-CE1 3.63Å; Y207-H332 AromaticContact CG-CE1 3.19Å; Y207-H332 AromaticContact CG-ND1 3.7Å; Y207-H332 AromaticContact CZ-CE1 3.86Å; Y209-H332 HydrophobicContact CE2-CB 3.96Å; Y209-H332 AromaticContact CE2-ND1 3.68Å; Y209-H332 AromaticContact CZ-ND1 3.77Å; Y209-H332 WeakPolarHBondContact OH-CA 3.39Å; Y209-H332 PolarHBondContact OH-ND1 2.94Å; V288-H332 HydrophobicContact CG1-CB 4.41Å; V288-H332 VanDerWaalsContact CG1-CD2 3.46Å; V288-H332 WeakPolarHBondContact CG1-CD2 3.37Å; V288-H332 HydrophobicContact CG2-CB 4.26Å; I328-H332 VanDerWaalsContact O-CB 3.32Å; I328-H332 WeakPolarHBondContact O-CB 3.08Å; I328-H332 PolarHBondContact O-N 2.75Å; L329-H332 PolarHBondContact O-N 3.04Å; H332-R334 VanDerWaalsContact C-N 3.35Å; H332-R334 PolarHBondContact O-N 3.35Å; H332-D335 PolarHBondContact O-N 2.91Å; H332-R336 PolarHBondContact NE2-NE 3Å; H332-R336 PolarHBondContact NE2-NH2 3.49Å; H332-R336 WeakPolarHBondContact O-CB 3.28Å; H332-R336 PolarHBondContact O-N 3.25Å
333	K	79	Confident	63.9	Low	119 Å²	119	78.9 Å²	78.9	52%	0.517	41%	0.408	S	S	.	.	H	α-helix	trans	-61.9	-36.7	169.7	-72.4	174.4	-166.9	174.2	0	112.9	L329 E330 Q331 G337	L329-K333 VanDerWaalsContact O-CG 3.31Å; L329-K333 WeakPolarHBondContact O-CG 3.37Å; L329-K333 PolarHBondContact O-N 2.87Å; E330-K333 WeakPolarHBondContact OE1-CD 3.36Å; E330-K333 WeakPolarHBondContact OE1-CE 3.44Å; E330-K333 IonicContact OE1-NZ 2.75Å; E330-K333 PolarHBondContact OE1-NZ 2.85Å; Q331-K333 VanDerWaalsContact C-N 3.29Å; Q331-K333 PolarHBondContact O-N 2.71Å; K333-G337 WeakPolarHBondContact O-CA 3.36Å; K333-G337 PolarHBondContact O-N 3.09Å
334	R	74.1	Confident	61.2	Low	130 Å²	130	79.4 Å²	79.4	49%	0.491	41%	0.413	S	S	.	.	H	α-helix	trans	-70.2	-41.5	174.5	-70.9	176.3	-154.7	101.9	20.7	112.1	E330 Q331 H332 G337 S338	E330-R334 WeakPolarHBondContact O-CG 3.3Å; E330-R334 PolarHBondContact O-N 2.8Å; E330-R334 PolarHBondContact O-NH1 3.28Å; Q331-R334 WeakPolarHBondContact O-CA 3.21Å; Q331-R334 WeakPolarHBondContact O-CB 3.4Å; Q331-R334 PolarHBondContact O-N 3.4Å; H332-R334 VanDerWaalsContact C-N 3.35Å; H332-R334 PolarHBondContact O-N 3.35Å; R334-G337 CarbonylContact O-C 3.59Å; R334-G337 PolarHBondContact O-N 2.74Å; R334-S338 PolarHBondContact O-N 2.91Å
335	D	67.8	Low	58.2	Low	60 Å²	60	84.3 Å²	84.3	32%	0.321	45%	0.448	S	S	.	.	H	α-helix	trans	-67.7	-39.2	-178.8	-59.6	-20.2	0	0	0	111	Y209 Q331 H332 G337	Y209-D335 WeakPolarHBondContact CE1-OD2 3.46Å; Y209-D335 VanDerWaalsContact CZ-OD2 3.3Å; Y209-D335 PolarHBondContact OH-OD2 2.97Å; Q331-D335 PolarHBondContact NE2-OD1 3.41Å; Q331-D335 VanDerWaalsContact O-CG 3.23Å; Q331-D335 PolarHBondContact O-N 2.65Å; H332-D335 PolarHBondContact O-N 2.91Å; D335-G337 VanDerWaalsContact C-N 3.34Å
336	R	65.6	Low	55.2	Low	81 Å²	81	86.7 Å²	86.7	31%	0.306	47%	0.47	S	S	.	.	H	α-helix	trans	-71.6	-23	166.2	-74.1	-162.6	-171.7	158.3	13.4	114.2	S290 D291 H332	S290-R336 PolarHBondContact O-NH1 2.99Å; S290-R336 PolarHBondContact O-NH2 2.86Å; D291-R336 IonicContact OD1-NH1 3.06Å; D291-R336 PolarHBondContact OD1-NH1 3.17Å; H332-R336 PolarHBondContact NE2-NE 3Å; H332-R336 PolarHBondContact NE2-NH2 3.49Å; H332-R336 WeakPolarHBondContact O-CB 3.28Å; H332-R336 PolarHBondContact O-N 3.25Å
337	G	42	Very low	52.2	Low	40 Å²	40	91.2 Å²	91.2	41%	0.412	49%	0.485	S	S	.	.			trans	-112.8	19.2	-159.1	0	0	0	0	0	115.4	K333 R334 D335 E339	K333-G337 WeakPolarHBondContact O-CA 3.36Å; K333-G337 PolarHBondContact O-N 3.09Å; R334-G337 CarbonylContact O-C 3.59Å; R334-G337 PolarHBondContact O-N 2.74Å; D335-G337 VanDerWaalsContact C-N 3.34Å; G337-E339 PolarHBondContact O-N 2.89Å; G337-E339 VanDerWaalsContact O-N 3.17Å
338	S	36.5	Very low	49.4	Very low	97 Å²	97	95.2 Å²	95.2	68%	0.678	51%	0.508	S	S	*	.	S	Bend	trans	-70.4	1.8	171.2	51.7	0	0	0	0	113.9	R334	R334-S338 PolarHBondContact O-N 2.91Å
339	E	26.8	Very low	46.5	Very low	50 Å²	50	103.5 Å²	103.5	23%	0.234	55%	0.546	C	S	.	.	S	Bend	trans	-121.1	68.7	170.8	-73.4	-176.7	170.6	0	0	112.5	S9 Q13 G337	S9-E339 VanDerWaalsContact C-OE1 3.26Å; S9-E339 WeakPolarHBondContact CB-OE1 3.45Å; S9-E339 PolarHBondContact OG-OE1 2.94Å; Q13-E339 WeakPolarHBondContact CB-OE2 3.45Å; Q13-E339 PolarHBondContact NE2-OE2 3.02Å; G337-E339 PolarHBondContact O-N 2.89Å; G337-E339 VanDerWaalsContact O-N 3.17Å
340	F	25.8	Very low	43.6	Very low	165 Å²	165	108.6 Å²	108.6	72%	0.724	58%	0.579	S	S	*	*	S	Bend	trans	-160.4	141.8	145.8	-106.1	-75.8	0	0	0	108.2
341	P	24.6	Very low	41.1	Very low	114 Å²	114	110.9 Å²	110.9	74%	0.74	60%	0.598	S	S	*	*			trans	-59.6	144.8	165.9	-20.3	33.1	0	0	0	109.7	M343	P341-M343 PolarHBondContact O-N 3.41Å
342	L	25.5	Very low	38.5	Very low	169 Å²	169	114.9 Å²	114.9	89%	0.885	62%	0.621	S	S	*	*			trans	-59.3	110.1	166.8	-74.3	164.7	0	0	0	108.3	S344	L342-S344 VanDerWaalsContact C-N 3.29Å; L342-S344 PolarHBondContact O-N 2.9Å
343	M	21.8	Very low	35.8	Very low	183 Å²	183	122 Å²	122	90%	0.901	66%	0.659	S	S	*	*			trans	-61.6	103.1	152.9	-76.6	-168.8	76.8	0	0	106.1	P341 S345	P341-M343 PolarHBondContact O-N 3.41Å; M343-S345 PolarHBondContact O-N 2.91Å
344	S	25.3	Very low	33.4	Very low	105 Å²	105	122.7 Å²	122.7	73%	0.734	68%	0.677	S	S	*	*			trans	-63.1	99.9	169.9	51.1	0	0	0	0	107.8	L342 S346	L342-S344 VanDerWaalsContact C-N 3.29Å; L342-S344 PolarHBondContact O-N 2.9Å; S344-S346 VanDerWaalsContact C-N 3.26Å; S344-S346 PolarHBondContact O-N 2.92Å
345	S	24.2	Very low	31.1	Very low	107 Å²	107	125.1 Å²	125.1	75%	0.748	69%	0.694	S	S	*	*			trans	-60.3	98.9	158.6	40.3	0	0	0	0	106.9	M343 F347	M343-S345 PolarHBondContact O-N 2.91Å; S345-F347 PolarHBondContact O-N 2.96Å
346	S	25.7	Very low	29.5	Very low	91 Å²	91	126.7 Å²	126.7	64%	0.636	71%	0.708	S	S	*	*			trans	-61.8	102.2	179.3	46.9	0	0	0	0	108.5	S344 N348	S344-S346 VanDerWaalsContact C-N 3.26Å; S344-S346 PolarHBondContact O-N 2.92Å; S346-N348 PolarHBondContact O-N 3.34Å
347	F	22.9	Very low	27.7	Very low	200 Å²	200	130.4 Å²	130.4	88%	0.877	73%	0.729	S	S	*	*			trans	-68.3	73	165.6	-120.8	-88.5	0	0	0	107.8	S345 E349	S345-F347 PolarHBondContact O-N 2.96Å; F347-E349 PolarHBondContact O-N 3.01Å
348	N	27.2	Very low	27.1	Very low	136 Å²	136	134.3 Å²	134.3	73%	0.727	74%	0.739	S	S	*	*			trans	-72.3	117.1	167.3	-77.9	11.7	0	0	0	106.8	S346 T350	S346-N348 PolarHBondContact O-N 3.34Å; N348-T350 PolarHBondContact O-N 3.39Å
349	E	27.3	Very low	26.8	Very low	173 Å²	173	138.9 Å²	138.9	81%	0.808	75%	0.749	S	S	*	*			trans	-63.6	126.9	170.3	-67.2	176	113.8	0	0	108.6	F347 T351	F347-E349 PolarHBondContact O-N 3.01Å; E349-T351 PolarHBondContact O-N 2.87Å
350	T	24.4	Very low	26.7	Very low	130 Å²	130	142.1 Å²	142.1	80%	0.798	77%	0.773	S	S	*	*			trans	-70.1	98.4	165.3	47	0	0	0	0	108.2	N348	N348-T350 PolarHBondContact O-N 3.39Å
351	T	29.8	Very low	26.9	Very low	125 Å²	125	140.2 Å²	140.2	77%	0.767	77%	0.77	S	S	*	*			trans	-99.8	120.1	157.3	54.2	0	0	0	0	107.8	E349	E349-T351 PolarHBondContact O-N 2.87Å
352	D	28.3	Very low	27.2	Very low	133 Å²	133	142.7 Å²	142.7	71%	0.711	77%	0.772	S	S	*	*			trans	-71.1	165.3	-174.3	-50	-73.2	0	0	0	113.3
353	D	27.7	Very low	27.4	Very low	153 Å²	153	139.1 Å²	139.1	82%	0.818	76%	0.761	S	S	*	*			trans	52.5	102.7	157.1	-56.7	-24.9	0	0	0	119.5
354	C	27.8	Very low	27.6	Very low	134 Å²	134	137.5 Å²	137.5	91%	0.905	76%	0.756	S	S	*	*				-174.9	122.9	110.2	-91.8	0	0	0	0	113.6
355	E	25	Very low	27.9	Very low	182 Å²	182	139.9 Å²	139.9	85%	0.85	77%	0.766	S	S	*	*			trans	-124.8	171.7	158.5	-120.9	-161.4	-174.4	0	0	106.8
356	P	36.1	Very low	27.9	Very low	92 Å²	92	142.7 Å²	142.7	60%	0.597	77%	0.77	S	S	*	*			cis	-139	-159.6	-8.2	28.2	-2.3	0	0	0	113.5
357	E	27.9	Very low	27.9	Very low	160 Å²	160	145.2 Å²	145.2	75%	0.748	78%	0.776	S	S	*	*			trans	98.3	121.7	140.4	-82	-166.3	156.8	0	0	124
358	I	28.9	Very low	28.3	Very low	122 Å²	122	141.8 Å²	141.8	63%	0.626	77%	0.771	S	S	*	*			trans	68.3	104.1	136.9	-58.3	165.8	0	0	0	118.9
359	Q	29.6	Very low	28.1	Very low	192 Å²	192	140.8 Å²	140.8	90%	0.897	78%	0.775	S	S	*	*				-154.3	134.9	105.4	-118.8	166.3	85.2	0	0	112.9
360	T	24.9	Very low	28	Very low	119 Å²	119	138.1 Å²	138.1	73%	0.73	78%	0.776	S	S	*	*			trans	-120.7	140.9	174.9	48.4	0	0	0	0	110.2
361	N	30	Very low	28	Very low	125 Å²	125	137 Å²	137	67%	0.668	77%	0.773	S	S	*	*			trans	157.2	131.2	131.2	-90.2	-69.9	0	0	0	113.6
362	Q	31.4	Very low	27.9	Very low	166 Å²	166	136.2 Å²	136.2	78%	0.776	77%	0.773	S	S	*	*			trans	63.4	146.3	140.5	-60.5	166.9	41.8	0	0	119.8
363	S	28.9	Very low	27.7	Very low	94 Å²	94	134.7 Å²	134.7	66%	0.657	77%	0.772	S	S	*	*			cis	-164.8	152.2	-19.7	55.8	0	0	0	0	111.7
364	N	27.2	Very low	27.6	Very low	149 Å²	149	138.9 Å²	138.9	80%	0.797	78%	0.777	S	S	*	*			trans	40.7	117.8	152	-58.6	-10.6	0	0	0	121.9
365	T	31.1	Very low	27.4	Very low	154 Å²	154	139.7 Å²	139.7	95%	0.945	77%	0.771	S	S	*	*				-164.6	165.4	114.9	12.2	0	0	0	0	111.9
366	M	24.5	Very low	27.3	Very low	167 Å²	167	141.5 Å²	141.5	82%	0.823	77%	0.771	S	S	*	*			trans	-94.8	143.3	-166.3	-53.5	163.1	75.5	0	0	113.1
367	N	25.9	Very low	26.9	Very low	143 Å²	143	148.5 Å²	148.5	77%	0.765	79%	0.785	S	S	*	*				172.8	172.1	112.1	-93.1	-38.3	0	0	0	115.2
368	T	29.7	Very low	26.6	Very low	128 Å²	128	152.2 Å²	152.2	79%	0.785	79%	0.793	S	S	*	*			trans	65.1	94.6	167.3	52.4	0	0	0	0	119
369	S	23	Very low	26.5	Very low	116 Å²	116	156.8 Å²	156.8	81%	0.811	80%	0.802	S	S	*	*			trans	-8.3	136.8	137.6	55.5	0	0	0	0	119.5
370	S	26.7	Very low	26.3	Very low	117 Å²	117	157.7 Å²	157.7	82%	0.818	80%	0.797	S	S	*	*				-150.1	145.2	121.5	-163.4	0	0	0	0	111
371	S	23.1	Very low	26.3	Very low	107 Å²	107	163.5 Å²	163.5	75%	0.748	81%	0.806	S	S	*	*			trans	-111.7	130.5	175.3	179.6	0	0	0	0	109.1
372	S	29.1	Very low	26.2	Very low	107 Å²	107	166.6 Å²	166.6	75%	0.748	82%	0.816	S	S	*	*			trans	-111.3	84.8	-177.7	-64.5	0	0	0	0	110.7
373	S	23.3	Very low	26.1	Very low	101 Å²	101	164.7 Å²	164.7	71%	0.706	82%	0.816	S	S	*	*			trans	-76.3	146.3	177.8	50.8	0	0	0	0	113.2
374	W	26.2	Very low	25.9	Very low	241 Å²	241	168.2 Å²	168.2	91%	0.913	83%	0.828	S	S	*	*			trans	-139.4	87.3	168.8	-80.3	86.7	0	0	0	111.7
375	L	23	Very low	26.1	Very low	151 Å²	151	167 Å²	167	79%	0.791	83%	0.828	S	S	*	*			trans	-148.8	171.1	156.5	-88.4	-174.2	0	0	0	108.3
376	W	23	Very low	26	Very low	221 Å²	221	165.2 Å²	165.2	84%	0.837	82%	0.821	S	S	*	*			trans	71.8	148	-169.6	-54.4	72	0	0	0	111.1
377	W	26.6	Very low	26.3	Very low	238 Å²	238	163.1 Å²	163.1	90%	0.902	82%	0.818	S	S	*	*			cis	-144.6	149.3	37.2	-45.3	81.2	0	0	0	114
378	R	22.6	Very low	26.5	Very low	239 Å²	239	164 Å²	164	90%	0.902	82%	0.821	S	S	*	*			trans	-150	83.5	152.4	-165.6	-172.5	-172.2	-163.3	5	113.2
379	R	26.5	Very low	26.6	Very low	217 Å²	217	162.7 Å²	162.7	82%	0.819	82%	0.817	S	S	*	*			trans	-168.7	143.8	138.7	-110.9	168.6	-169.9	-176.6	5.8	115.7
380	R	26.4	Very low	27	Very low	211 Å²	211	162.2 Å²	162.2	80%	0.796	81%	0.813	S	S	*	*			trans	43.6	117.5	150.1	-73.5	178.5	179.3	171.8	-0	119.9
381	R	23.7	Very low	27.2	Very low	242 Å²	242	164 Å²	164	91%	0.913	81%	0.814	S	S	*	*			trans	-53.2	132.7	141.4	-60.9	173.6	178.7	170	-1.9	109.9
382	Q	28.2	Very low	27.7	Very low	189 Å²	189	164.1 Å²	164.1	88%	0.883	82%	0.815	S	S	*	*			trans	-148.3	120.2	142.4	-133.1	170.6	-10.7	0	0	107.2
383	T	29.9	Very low	27.7	Very low	127 Å²	127	162.9 Å²	162.9	78%	0.779	82%	0.819	S	S	*	*			trans	-99.5	127.4	-175	45.1	0	0	0	0	110	P385	T383-P385 WeakPolarHBondContact O-CD 3.19Å
384	N	24.6	Very low	28	Very low	168 Å²	168	163 Å²	163	90%	0.898	82%	0.82	S	S	*	*			trans	-70.8	139.4	165.4	-67.8	-24.2	0	0	0	110.2
385	P	31.3	Very low	28.2	Very low	123 Å²	123	159.2 Å²	159.2	80%	0.799	81%	0.812	S	S	*	*			trans	-132.8	128.1	156.5	34.8	-18.8	0	0	0	112.8	T383	T383-P385 WeakPolarHBondContact O-CD 3.19Å
386	S	28.8	Very low	28.4	Very low	116 Å²	116	158.7 Å²	158.7	81%	0.811	81%	0.81	S	S	*	*			trans	-156.8	146.4	159.4	68.8	0	0	0	0	106.5
387	V	30.7	Very low	28.6	Very low	124 Å²	124	155.3 Å²	155.3	75%	0.752	81%	0.808	S	S	*	*			cis	-137.7	150.2	11.6	173.8	0	0	0	0	108.8
388	I	29.7	Very low	28.6	Very low	160 Å²	160	150.5 Å²	150.5	82%	0.821	81%	0.805	S	S	*	*				-178	143.4	123.7	-88.8	158.7	0	0	0	109.8
389	S	31.4	Very low	28.7	Very low	102 Å²	102	148.9 Å²	148.9	71%	0.713	80%	0.8	S	S	*	*			trans	-68.3	170.7	179.5	52.3	0	0	0	0	113.3
390	S	33.2	Very low	28.8	Very low	105 Å²	105	145.8 Å²	145.8	73%	0.734	80%	0.795	S	S	*	*			cis	-152.6	177.6	6.4	12.9	0	0	0	0	107.3
391	D	31	Very low	28.8	Very low	154 Å²	154	141.7 Å²	141.7	82%	0.824	79%	0.789	S	S	*	*			cis	-152.6	-160	27.4	-150.4	-37.7	0	0	0	111.4
392	S	32.9	Very low	29	Very low	111 Å²	111	134.7 Å²	134.7	78%	0.776	78%	0.777	S	S	*	*			trans	-114.7	154.9	-161.7	54.5	0	0	0	0	115.2
393	G	29.2	Very low	28.9	Very low	80 Å²	80	132.7 Å²	132.7	83%	0.825	77%	0.771	S	S	*	*			trans	165	144.8	175.3	0	0	0	0	0	112.1
394	S	29	Very low	28.8	Very low	105 Å²	105	134.2 Å²	134.2	73%	0.734	77%	0.769	S	S	*	*			trans	-149.2	163.5	-169.2	55.5	0	0	0	0	114.7
395	H	29.7	Very low	29.1	Very low	161 Å²	161	135 Å²	135	75%	0.745	77%	0.768	S	S	*	*			trans	68.8	151.5	174.6	-66	-78.7	0	0	0	116.2
396	D	27.5	Very low	28.7	Very low	139 Å²	139	138 Å²	138	74%	0.743	77%	0.77	S	S	*	*			cis	-151.5	-171.3	-3.7	-125.2	-5.4	0	0	0	113.2
397	L	26.9	Very low	28.7	Very low	151 Å²	151	138.5 Å²	138.5	79%	0.791	77%	0.774	S	S	*	*			trans	-79.1	150.6	-177.4	-61.7	153.1	0	0	0	114.6
398	T	26.6	Very low	28.5	Very low	137 Å²	137	137.4 Å²	137.4	84%	0.84	77%	0.772	S	S	*	*				169.1	135.4	113.5	42	0	0	0	0	116.7
399	Y	25.8	Very low	28.3	Very low	205 Å²	205	136.6 Å²	136.6	80%	0.804	77%	0.774	S	S	*	*			trans	13.1	140.8	143.8	-94.1	-103.8	0	0	0	126.5
400	Q	27.8	Very low	28.1	Very low	151 Å²	151	140.8 Å²	140.8	71%	0.706	78%	0.783	S	S	*	*			trans	64.4	157.8	150	-86.3	176.5	-75.4	0	0	120
401	D	27.1	Very low	27.6	Very low	126 Å²	126	140.4 Å²	140.4	67%	0.674	78%	0.78	S	S	*	*			cis	-147.6	-173.7	13.5	-141.4	-29.7	0	0	0	115.8
402	S	28	Very low	27.3	Very low	94 Å²	94	142 Å²	142	66%	0.657	79%	0.785	S	S	*	*			trans	-77.1	157.1	-164.2	-50.5	0	0	0	0	119.1
403	L	26.8	Very low	26.9	Very low	147 Å²	147	144.5 Å²	144.5	77%	0.77	79%	0.789	S	S	*	*				174.2	154.6	110.9	-133	72.8	0	0	0	116.6
404	H	27.2	Very low	26.7	Very low	160 Å²	160	144.4 Å²	144.4	74%	0.741	78%	0.78	S	S	*	*			trans	6.4	152.3	160.6	-60.6	-30.5	0	0	0	123.3
405	Q	29.6	Very low	26.6	Very low	185 Å²	185	144.7 Å²	144.7	86%	0.864	78%	0.779	S	S	*	*			cis	-159.9	-168.7	47.6	-145.2	170.1	47.5	0	0	114.9
406	H	24.6	Very low	26.3	Very low	184 Å²	184	143.9 Å²	143.9	85%	0.852	78%	0.779	S	S	*	*			trans	-87.2	152.7	-163.7	-76.2	-114.2	0	0	0	117.9
407	S	27.9	Very low	26.1	Very low	127 Å²	127	144 Å²	144	89%	0.888	78%	0.78	S	S	*	*			trans	-152.2	-179.6	136	81.7	0	0	0	0	111.4
408	S	26.3	Very low	25.9	Very low	102 Å²	102	142.8 Å²	142.8	71%	0.713	77%	0.773	S	S	*	*			trans	-118.5	142.6	-156.3	57.7	0	0	0	0	116.8
409	V	25	Very low	25.8	Very low	143 Å²	143	141.9 Å²	141.9	87%	0.867	77%	0.767	S	S	*	*			trans	37.4	93.7	147.3	-170.7	0	0	0	0	116.9
410	Q	27.1	Very low	25.7	Very low	190 Å²	190	137.3 Å²	137.3	89%	0.888	76%	0.756	S	S	*	*			trans	-152.6	146.3	144.5	-133.5	167.9	-3.4	0	0	114.4	M412	Q410-M412 PolarHBondContact O-N 3.3Å
411	S	24.2	Very low	25.6	Very low	97 Å²	97	134.4 Å²	134.4	68%	0.678	75%	0.752	S	S	*	*			trans	-35.9	119.8	171.8	159.1	0	0	0	0	115.3
412	M	24.7	Very low	25.4	Very low	187 Å²	187	133 Å²	133	92%	0.921	75%	0.752	S	S	*	*			trans	-130.8	95.9	146.4	-72.7	-161.7	176.3	0	0	110.6	Q410 A414	Q410-M412 PolarHBondContact O-N 3.3Å; M412-A414 PolarHBondContact O-N 2.9Å; M412-A414 VanDerWaalsContact O-N 3.11Å
413	L	23.6	Very low	25.2	Very low	164 Å²	164	134.4 Å²	134.4	86%	0.859	76%	0.759	S	S	*	*			trans	-62.7	102.2	154.5	-85	147.8	0	0	0	107.6
414	A	25.2	Very low	25.1	Very low	78 Å²	78	133.4 Å²	133.4	65%	0.645	76%	0.758	S	S	*	*			trans	-62.9	131.9	164.5	0	0	0	0	0	108.2	M412 I416	M412-A414 PolarHBondContact O-N 2.9Å; M412-A414 VanDerWaalsContact O-N 3.11Å; A414-I416 PolarHBondContact O-N 3.34Å
415	P	26.3	Very low	24.9	Very low	110 Å²	110	132.2 Å²	132.2	71%	0.714	76%	0.757	S	S	*	*			trans	-64	112.8	167.9	27.7	-31.6	0	0	0	107.4	D417	P415-D417 VanDerWaalsContact C-N 3.31Å; P415-D417 PolarHBondContact O-N 2.91Å
416	I	24.9	Very low	24.5	Very low	145 Å²	145	131.9 Å²	131.9	74%	0.744	76%	0.758	S	S	*	*			trans	-69.9	101.1	162.9	-56.8	178.2	0	0	0	104.9	A414 L418	A414-I416 PolarHBondContact O-N 3.34Å; I416-L418 HydrophobicContact CG2-CD1 4.49Å; I416-L418 HydrophobicContact CG2-CG 4.01Å; I416-L418 PolarHBondContact O-N 3.48Å
417	D	23.1	Very low	24.5	Very low	142 Å²	142	130.4 Å²	130.4	76%	0.759	75%	0.751	S	S	*	*			trans	-65.9	75.9	166.8	-84.9	-35.7	0	0	0	108.7	P415 V419	P415-D417 VanDerWaalsContact C-N 3.31Å; P415-D417 PolarHBondContact O-N 2.91Å; D417-V419 PolarHBondContact O-N 2.84Å
418	L	23.1	Very low	24.5	Very low	124 Å²	124	132.8 Å²	132.8	65%	0.649	75%	0.748	S	S	*	*			trans	-63.5	83.2	160.6	-90.9	161.8	0	0	0	106.7	I416 I420	I416-L418 HydrophobicContact CG2-CD1 4.49Å; I416-L418 HydrophobicContact CG2-CG 4.01Å; I416-L418 PolarHBondContact O-N 3.48Å; L418-I420 PolarHBondContact O-N 3Å
419	V	23.7	Very low	24.3	Very low	118 Å²	118	135.6 Å²	135.6	72%	0.715	75%	0.75	S	S	*	*			trans	-61.6	90.2	164.7	-179.7	0	0	0	0	106.4	D417 S421	D417-V419 PolarHBondContact O-N 2.84Å; V419-S421 PolarHBondContact O-N 3Å
420	I	24.3	Very low	24.5	Very low	110 Å²	110	134.5 Å²	134.5	56%	0.564	73%	0.734	S	S	*	*			trans	-66.8	80	167.7	-58.7	173.7	0	0	0	105.8	L418 S422	L418-I420 PolarHBondContact O-N 3Å; I420-S422 PolarHBondContact O-N 3.03Å
421	S	24	Very low	24.3	Very low	89 Å²	89	131.2 Å²	131.2	62%	0.622	72%	0.722	S	S	*	*			trans	-54.8	130.3	161.9	-61.9	0	0	0	0	106.4	V419	V419-S421 PolarHBondContact O-N 3Å
422	S	23.7	Very low	24.6	Very low	97 Å²	97	134 Å²	134	68%	0.678	73%	0.725	S	S	*	*			trans	-48.8	148.5	174.3	-51.6	0	0	0	0	110.1	I420 V424	I420-S422 PolarHBondContact O-N 3.03Å; S422-V424 PolarHBondContact O-N 2.86Å
423	P	24.3	Very low	24.7	Very low	124 Å²	124	134 Å²	134	81%	0.805	72%	0.722	S	S	*	*			trans	-56.4	107.6	173.8	24.8	-33.2	0	0	0	108.4	L425	P423-L425 PolarHBondContact O-N 2.99Å
424	V	23.5	Very low	24.9	Very low	125 Å²	125	132.5 Å²	132.5	76%	0.758	72%	0.715	S	S	*	*			trans	-66.1	121.4	171.8	173.6	0	0	0	0	105.5	S422 M426	S422-V424 PolarHBondContact O-N 2.86Å; V424-M426 VanDerWaalsContact C-N 3.34Å; V424-M426 PolarHBondContact O-N 3.04Å
425	L	23.6	Very low	25.5	Very low	135 Å²	135	134.2 Å²	134.2	71%	0.707	71%	0.706	S	S	*	*			trans	-63.3	95.2	-178.7	-163.2	167.8	0	0	0	107.9	P423 Q427	P423-L425 PolarHBondContact O-N 2.99Å; L425-Q427 HydrophobicContact CD2-CB 4.44Å; L425-Q427 HydrophobicContact CD2-CG 3.69Å; L425-Q427 PolarHBondContact O-N 2.67Å
426	M	22.3	Very low	25.8	Very low	179 Å²	179	133.5 Å²	133.5	88%	0.882	69%	0.693	S	S	*	*			trans	-72.9	81.6	171.5	-82.5	-173	157.8	0	0	108.7	V424	V424-M426 VanDerWaalsContact C-N 3.34Å; V424-M426 PolarHBondContact O-N 3.04Å
427	Q	23.9	Very low	26.3	Very low	152 Å²	152	133.7 Å²	133.7	71%	0.71	68%	0.684	S	S	*	*			trans	-58.3	133.9	141.2	-81.6	161.4	-62.2	0	0	107.3	L425 E429	L425-Q427 HydrophobicContact CD2-CB 4.44Å; L425-Q427 HydrophobicContact CD2-CG 3.69Å; L425-Q427 PolarHBondContact O-N 2.67Å; Q427-E429 PolarHBondContact O-N 3.27Å
428	E	27.7	Very low	26.9	Very low	177 Å²	177	128.5 Å²	128.5	83%	0.827	66%	0.658	S	S	*	*			trans	-71	82.9	166.3	-65.5	180	132.9	0	0	107.7	F430	E428-F430 PolarHBondContact O-N 2.88Å
429	E	23	Very low	27.7	Very low	161 Å²	161	125.7 Å²	125.7	75%	0.752	64%	0.639	S	S	*	*			trans	-58.6	123.6	162.4	-78.4	-174.5	121.6	0	0	107.5	Q427 D431	Q427-E429 PolarHBondContact O-N 3.27Å; E429-D431 PolarHBondContact O-N 3.4Å
430	F	27.6	Very low	27.9	Very low	120 Å²	120	125.7 Å²	125.7	53%	0.526	64%	0.636	S	S	.	*			trans	-82.6	49.3	-164.6	-144.6	-96.9	0	0	0	111.4	E428 Q432 Q541	E428-F430 PolarHBondContact O-N 2.88Å; F430-Q432 PolarHBondContact O-N 2.92Å; F430-Q541 WeakPolarHBondContact CE1-O 3.38Å
431	D	23.6	Very low	28.4	Very low	121 Å²	121	125.5 Å²	125.5	65%	0.647	64%	0.635	S	S	*	*			trans	-73.5	122	-171.4	-84.1	-12.4	0	0	0	112	E429 E433	E429-D431 PolarHBondContact O-N 3.4Å; D431-E433 PolarHBondContact O-N 3.04Å
432	Q	30.2	Very low	28.5	Very low	157 Å²	157	125.7 Å²	125.7	73%	0.734	63%	0.634	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.7	12.2	-165.5	-62.4	179.2	-17.4	0	0	115.2	F430	F430-Q432 PolarHBondContact O-N 2.92Å
433	E	26.7	Very low	28.7	Very low	187 Å²	187	131.2 Å²	131.2	87%	0.874	65%	0.646	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.5	-11.3	-172.1	-66.2	-158.8	137	0	0	115.6	D431 Y435	D431-E433 PolarHBondContact O-N 3.04Å; E433-Y435 PolarHBondContact O-N 2.62Å
434	N	28.4	Very low	28.9	Very low	131 Å²	131	131.6 Å²	131.6	70%	0.701	65%	0.646	S	S	*	*			trans	-92.7	55.5	-176.6	-84.2	-57.6	0	0	0	115	E436	N434-E436 PolarHBondContact O-N 3.01Å
435	Y	36.6	Very low	29	Very low	115 Å²	115	129.1 Å²	129.1	45%	0.451	65%	0.646	S	S	.	*			trans	-72.8	69.3	156.3	-164.3	-92.5	0	0	0	110	E433 R437 E531 V533	E433-Y435 PolarHBondContact O-N 2.62Å; Y435-R437 HydrophobicContact CD1-CG 4.17Å; Y435-R437 HydrophobicContact CE1-CB 4.45Å; Y435-R437 HydrophobicContact CE1-CG 3.58Å; Y435-R437 PolarHBondContact O-N 2.75Å; Y435-E531 PolarHBondContact OH-OE1 2.82Å; Y435-V533 HydrophobicContact CE2-CG1 4.27Å; Y435-V533 HydrophobicContact CE2-CG2 4.4Å; Y435-V533 WeakPolarHBondContact OH-CG2 3.33Å
436	E	32.7	Very low	29.3	Very low	95 Å²	95	131.2 Å²	131.2	44%	0.444	66%	0.657	S	S	.	*			trans	-60.7	103.9	156.7	-80.1	-159.9	134.2	0	0	107.1	N434 K620	N434-E436 PolarHBondContact O-N 3.01Å; E436-K620 IonicContact OE2-NZ 2.67Å; E436-K620 PolarHBondContact OE2-NZ 3.25Å
437	R	36.1	Very low	29.4	Very low	148 Å²	148	130.2 Å²	130.2	56%	0.558	65%	0.654	S	S	*	*	P	Polyproline II helix	trans	-47.6	138.7	167.4	-107	-167	-84.6	-154.7	-7.9	109.3	Y435 Y439	Y435-R437 HydrophobicContact CD1-CG 4.17Å; Y435-R437 HydrophobicContact CE1-CB 4.45Å; Y435-R437 HydrophobicContact CE1-CG 3.58Å; Y435-R437 PolarHBondContact O-N 2.75Å; R437-Y439 PolarHBondContact O-N 2.95Å; R437-Y439 VanDerWaalsContact O-N 3.17Å
438	P	35.7	Very low	29.5	Very low	34 Å²	34	130.8 Å²	130.8	22%	0.221	66%	0.662	C	S	.	*	S	Bend	trans	-54.2	127.7	164.5	27.8	-33	0	0	0	107.5	E531 F549	P438-E531 VanDerWaalsContact CD-OE1 3.29Å; P438-E531 WeakPolarHBondContact CD-OE1 3.45Å; P438-E531 HydrophobicContact CG-CG 3.78Å; P438-F549 HydrophobicContact CB-CE1 4.19Å; P438-F549 HydrophobicContact CB-CE2 4.39Å; P438-F549 HydrophobicContact CB-CZ 3.71Å; P438-F549 HydrophobicContact CG-CE1 4.23Å; P438-F549 HydrophobicContact CG-CZ 4.26Å
439	Y	40.2	Very low	29.5	Very low	64 Å²	64	126.8 Å²	126.8	25%	0.251	66%	0.659	S	S	.	*	P	Polyproline II helix	trans	-61.9	141.7	-146.4	-47.5	-81.8	0	0	0	113.1	R437 L441 K620 Y623	R437-Y439 PolarHBondContact O-N 2.95Å; R437-Y439 VanDerWaalsContact O-N 3.17Å; Y439-L441 PolarHBondContact O-N 3.01Å; Y439-K620 HydrophobicContact CE2-CG 4.17Å; Y439-K620 WeakPolarHBondContact OH-CD 3.29Å; Y439-K620 WeakPolarHBondContact OH-CE 3.48Å; Y439-K620 PolarHBondContact OH-NZ 2.93Å; Y439-Y623 HydrophobicContact CD1-CE1 4.41Å; Y439-Y623 AromaticContact CD2-CD1 3.41Å; Y439-Y623 HydrophobicContact CD2-CD1 3.41Å; Y439-Y623 VanDerWaalsContact CD2-CD1 3.41Å; Y439-Y623 AromaticContact CD2-CE1 3.67Å; Y439-Y623 HydrophobicContact CD2-CE1 3.67Å; Y439-Y623 AromaticContact CD2-CG 3.93Å; Y439-Y623 HydrophobicContact CD2-CG 3.93Å; Y439-Y623 HydrophobicContact CE2-CD1 4.08Å; Y439-Y623 AromaticContact CG-CD1 3.88Å; Y439-Y623 HydrophobicContact CG-CD1 3.88Å; Y439-Y623 AromaticContact CG-CE1 3.6Å; Y439-Y623 HydrophobicContact CG-CE1 3.6Å
440	N	28.2	Very low	29.6	Very low	119 Å²	119	124.6 Å²	124.6	64%	0.636	66%	0.659	S	S	*	*			trans	-47.6	113.9	-175.6	-62.6	-85.9	0	0	0	112
441	L	33.6	Very low	29.6	Very low	105 Å²	105	125 Å²	125	55%	0.55	67%	0.674	S	S	.	*			trans	-52	140.6	170.4	-160.6	72.7	0	0	0	109.8	Y439 K443	Y439-L441 PolarHBondContact O-N 3.01Å; L441-K443 PolarHBondContact O-N 3.37Å
442	P	26.2	Very low	29.7	Very low	94 Å²	94	125.7 Å²	125.7	61%	0.61	68%	0.683	S	S	*	*			trans	-53.4	130.4	177.3	-27.6	35.7	0	0	0	111.8	T444	P442-T444 PolarHBondContact O-N 2.61Å
443	K	29.2	Very low	29.5	Very low	213 Å²	213	122.3 Å²	122.3	93%	0.926	68%	0.682	S	S	*	*			trans	-76.3	70.8	-180	-74.7	-168.4	174.9	-173.1	0	112.1	L441	L441-K443 PolarHBondContact O-N 3.37Å
444	T	27.3	Very low	29.4	Very low	132 Å²	132	123.3 Å²	123.3	81%	0.81	68%	0.683	S	S	*	*			trans	-114.8	89.8	172	47.8	0	0	0	0	109.5	P442	P442-T444 PolarHBondContact O-N 2.61Å
445	G	27.1	Very low	29.3	Very low	73 Å²	73	124.8 Å²	124.8	75%	0.753	69%	0.689	S	S	*	*	S	Bend	trans	159.4	-41.5	172.9	0	0	0	0	0	115.8
446	L	28.7	Very low	28.7	Very low	179 Å²	179	124.6 Å²	124.6	94%	0.937	70%	0.702	S	S	*	*			trans	-105.1	85.9	-170.8	-68.8	175.8	0	0	0	113.9
447	L	25.4	Very low	28.3	Very low	157 Å²	157	128.9 Å²	128.9	82%	0.822	73%	0.727	S	S	*	*			trans	-83.2	149.1	145.9	-77.1	164.4	0	0	0	108.6
448	N	26	Very low	27.8	Very low	165 Å²	165	129.1 Å²	129.1	88%	0.882	73%	0.734	S	S	*	*			trans	78.9	73.9	-179.4	-50.6	-28.7	0	0	0	117
449	A	26.8	Very low	27.3	Very low	92 Å²	92	133.1 Å²	133.1	76%	0.76	76%	0.763	S	S	*	*			trans	-138	138.8	150.9	0	0	0	0	0	109.6
450	P	25.8	Very low	26.6	Very low	115 Å²	115	134.2 Å²	134.2	75%	0.747	78%	0.78	S	S	*	*			trans	-81.1	152.8	-171	31.6	-35.5	0	0	0	114.1	T452	P450-T452 PolarHBondContact O-N 2.96Å
451	P	27.6	Very low	26.4	Very low	130 Å²	130	133.7 Å²	133.7	84%	0.844	79%	0.792	S	S	*	*			trans	-94.4	71.8	-166.6	37.7	-37.8	0	0	0	115.5
452	T	25.5	Very low	26.1	Very low	135 Å²	135	135.9 Å²	135.9	83%	0.828	80%	0.803	S	S	*	*			trans	-147.9	142.4	167.8	-18.9	0	0	0	0	108.6	P450	P450-T452 PolarHBondContact O-N 2.96Å
453	A	26.1	Very low	26	Very low	86 Å²	86	137.8 Å²	137.8	71%	0.711	81%	0.808	S	S	*	*			cis	-137.6	171	15.4	0	0	0	0	0	113.5
454	K	24.5	Very low	26	Very low	208 Å²	208	133 Å²	133	90%	0.904	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-83.2	127.1	168.1	-61.6	174.9	-178.6	176.8	0	109.3
455	I	25.9	Very low	25.7	Very low	162 Å²	162	136.8 Å²	136.8	83%	0.831	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-92.9	127	168.1	-59.8	178.1	0	0	0	108.1
456	P	24.3	Very low	25.9	Very low	111 Å²	111	138.4 Å²	138.4	72%	0.721	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-81.1	144.4	179.3	32.3	-33.9	0	0	0	112.1	H458	P456-H458 PolarHBondContact O-N 3.31Å
457	L	24	Very low	25.6	Very low	185 Å²	185	141.7 Å²	141.7	97%	0.969	79%	0.794	S	S	*	*			trans	-70.7	108.1	164.4	-77.3	162.2	0	0	0	109.4
458	H	25	Very low	25.8	Very low	153 Å²	153	139.2 Å²	139.2	71%	0.708	79%	0.79	S	S	*	*			trans	-146.5	123.1	159.8	-166.3	-87	0	0	0	111.1	P456	P456-H458 PolarHBondContact O-N 3.31Å
459	S	26	Very low	25.9	Very low	118 Å²	118	141.3 Å²	141.3	83%	0.825	79%	0.792	S	S	*	*			trans	-80.5	118.7	172.8	-178.2	0	0	0	0	110
460	S	25.2	Very low	26	Very low	87 Å²	87	143 Å²	143	61%	0.608	79%	0.793	S	S	*	*			trans	-152.2	119.5	168.2	49.6	0	0	0	0	109
461	A	23.8	Very low	26.3	Very low	108 Å²	108	143.3 Å²	143.3	89%	0.893	80%	0.795	S	S	*	*			trans	-62.4	139.3	-176.1	0	0	0	0	0	112.1
462	I	27.9	Very low	26.3	Very low	151 Å²	151	143.4 Å²	143.4	77%	0.774	79%	0.788	S	S	*	*			trans	-103.1	107.9	169.6	-61.3	178.6	0	0	0	107.7	V464	I462-V464 HydrophobicContact CG2-CG2 3.95Å; I462-V464 PolarHBondContact O-N 3.2Å; I462-V464 VanDerWaalsContact O-N 3.09Å
463	D	23	Very low	26.5	Very low	134 Å²	134	142.8 Å²	142.8	72%	0.717	79%	0.786	S	S	*	*			trans	-71.6	92.6	171.9	173.5	25.9	0	0	0	110.1	R465	D463-R465 VanDerWaalsContact C-N 3.34Å; D463-R465 PolarHBondContact O-N 3.4Å; D463-R465 VanDerWaalsContact O-N 3.11Å
464	V	29.2	Very low	26.5	Very low	111 Å²	111	142.6 Å²	142.6	67%	0.673	78%	0.779	S	S	*	*			trans	-82.4	85.5	171.3	-174.4	0	0	0	0	109.1	I462 C466	I462-V464 HydrophobicContact CG2-CG2 3.95Å; I462-V464 PolarHBondContact O-N 3.2Å; I462-V464 VanDerWaalsContact O-N 3.09Å; V464-C466 VanDerWaalsContact C-N 3.26Å; V464-C466 PolarHBondContact O-N 2.84Å
465	R	22.8	Very low	26.9	Very low	212 Å²	212	141.1 Å²	141.1	80%	0.8	78%	0.776	S	S	*	*			trans	-69.1	69	-177.3	-165.8	-177.7	-171.1	164.4	6.9	113.7	D463 R467	D463-R465 VanDerWaalsContact C-N 3.34Å; D463-R465 PolarHBondContact O-N 3.4Å; D463-R465 VanDerWaalsContact O-N 3.11Å; R465-R467 PolarHBondContact O-N 3.21Å
466	C	29.8	Very low	27	Very low	108 Å²	108	139.7 Å²	139.7	73%	0.73	78%	0.775	S	S	*	*			trans	-64.7	114.4	170.9	-83.1	0	0	0	0	110.8	V464 S468	V464-C466 VanDerWaalsContact C-N 3.26Å; V464-C466 PolarHBondContact O-N 2.84Å; C466-S468 PolarHBondContact O-N 3.4Å; C466-S468 VanDerWaalsContact O-N 3.16Å
467	R	22.9	Very low	27.4	Very low	247 Å²	247	140 Å²	140	93%	0.932	78%	0.78	S	S	*	*			trans	-91.3	66.1	-165.9	-166.7	-173.4	-174.9	-179.9	2.6	112.9	R465	R465-R467 PolarHBondContact O-N 3.21Å
468	S	30.2	Very low	27.7	Very low	105 Å²	105	135.7 Å²	135.7	73%	0.734	77%	0.765	S	S	*	*			trans	-94	152.3	166.1	54.2	0	0	0	0	111.2	C466	C466-S468 PolarHBondContact O-N 3.4Å; C466-S468 VanDerWaalsContact O-N 3.16Å
469	K	27.6	Very low	28	Very low	210 Å²	210	134.6 Å²	134.6	91%	0.913	77%	0.771	S	S	*	*			trans	-87.2	114.1	-173	-63.2	176.1	-176.7	173.5	0	111
470	T	29.7	Very low	28.2	Very low	128 Å²	128	137.4 Å²	137.4	79%	0.785	77%	0.772	S	S	*	*	P	Polyproline II helix	trans	-86.3	132.7	164.1	50.1	0	0	0	0	110.4
471	P	31.3	Very low	28.5	Very low	121 Å²	121	142.8 Å²	142.8	79%	0.786	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-63.3	153.8	163.9	-19.7	33.2	0	0	0	111.7
472	D	26.5	Very low	28.6	Very low	131 Å²	131	142.4 Å²	142.4	70%	0.701	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-85.6	122.2	-179.3	-172.3	-13.6	0	0	0	111.3	S474	D472-S474 WeakPolarHBondContact OD1-CB 3.47Å; D472-S474 PolarHBondContact OD1-N 2.71Å; D472-S474 VanDerWaalsContact OD1-N 3.09Å; D472-S474 PolarHBondContact OD1-OG 3.24Å
473	P	29.7	Very low	28.6	Very low	122 Å²	122	139 Å²	139	79%	0.792	79%	0.786	S	S	*	*			trans	-99.5	41.9	177.5	39.3	-33.1	0	0	0	113.2	Q475	P473-Q475 PolarHBondContact O-N 3.24Å; P473-Q475 VanDerWaalsContact O-N 3.15Å
474	S	26.3	Very low	28.9	Very low	82 Å²	82	143 Å²	143	57%	0.573	79%	0.793	S	S	*	*			trans	-85.1	60.7	178.1	77.9	0	0	0	0	114.6	D472	D472-S474 WeakPolarHBondContact OD1-CB 3.47Å; D472-S474 PolarHBondContact OD1-N 2.71Å; D472-S474 VanDerWaalsContact OD1-N 3.09Å; D472-S474 PolarHBondContact OD1-OG 3.24Å
475	Q	34.3	Very low	28.7	Very low	177 Å²	177	146 Å²	146	83%	0.827	80%	0.797	S	S	*	*			trans	-164.5	139.9	156.3	-113.5	144.7	108.6	0	0	114.4	P473	P473-Q475 PolarHBondContact O-N 3.24Å; P473-Q475 VanDerWaalsContact O-N 3.15Å
476	T	28.3	Very low	29.1	Very low	132 Å²	132	140.9 Å²	140.9	81%	0.81	79%	0.794	S	S	*	*			trans	-2.7	142.8	158.1	57.1	0	0	0	0	118.9
477	S	31.3	Very low	29	Very low	118 Å²	118	141.9 Å²	141.9	83%	0.825	79%	0.792	S	S	*	*			cis	-147.8	-162	34.7	57.9	0	0	0	0	114.8
478	S	30.4	Very low	29.3	Very low	95 Å²	95	136.9 Å²	136.9	66%	0.664	78%	0.784	S	S	*	*			trans	-76.7	152.6	-163.2	45.4	0	0	0	0	116.5
479	P	31.3	Very low	29.4	Very low	129 Å²	129	142.7 Å²	142.7	84%	0.838	79%	0.791	S	S	*	*			trans	-92.5	113.9	171.7	34.6	-29.9	0	0	0	112.5
480	E	30.2	Very low	29.5	Very low	178 Å²	178	141.8 Å²	141.8	83%	0.832	79%	0.79	S	S	*	*			trans	-133.3	102.8	165.8	-74.8	-171.4	132.2	0	0	110.2
481	E	31.2	Very low	29.4	Very low	199 Å²	199	140 Å²	140	93%	0.93	78%	0.783	S	S	*	*				166.2	121.1	126.1	-88.3	-153.7	124.1	0	0	109.6
482	A	27.5	Very low	29.4	Very low	100 Å²	100	141.1 Å²	141.1	83%	0.826	78%	0.782	S	S	*	*			trans	-107.8	80.4	177	0	0	0	0	0	109.8	Y484	A482-Y484 PolarHBondContact O-N 3.16Å
483	G	26.5	Very low	29.4	Very low	80 Å²	80	142.9 Å²	142.9	83%	0.825	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-66.6	125.1	174.3	0	0	0	0	0	111.7
484	Y	30.2	Very low	29.3	Very low	219 Å²	219	141.4 Å²	141.4	86%	0.859	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-86	157	177.7	-119.3	-101.7	0	0	0	112.1	A482	A482-Y484 PolarHBondContact O-N 3.16Å
485	F	25.7	Very low	29.3	Very low	174 Å²	174	148.5 Å²	148.5	76%	0.763	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-46.3	144.4	-176.8	-75.8	-99.1	0	0	0	117.1
486	S	29.5	Very low	29.2	Very low	103 Å²	103	149.5 Å²	149.5	72%	0.72	81%	0.81	S	S	*	*			trans	-155.9	109.3	132	-123.7	0	0	0	0	110
487	D	28.8	Very low	29	Very low	129 Å²	129	153.8 Å²	153.8	69%	0.69	81%	0.811	S	S	*	*			trans	-97.8	78.5	174.2	-82.4	-46.3	0	0	0	110.3	Y489	D487-Y489 PolarHBondContact O-N 3.31Å
488	D	28.7	Very low	28.9	Very low	143 Å²	143	157 Å²	157	77%	0.765	81%	0.81	S	S	*	*			trans	-89.2	97.9	172.1	-76.9	-48.4	0	0	0	110.7
489	Y	33.6	Very low	28.7	Very low	226 Å²	226	158.1 Å²	158.1	89%	0.886	81%	0.814	S	S	*	*			trans	-127.7	88.1	173.9	-89.6	-70.5	0	0	0	112.5	D487	D487-Y489 PolarHBondContact O-N 3.31Å
490	E	29.4	Very low	28.4	Very low	191 Å²	191	158.9 Å²	158.9	89%	0.893	82%	0.816	S	S	*	*			trans	-115.5	114.3	167.7	-164.9	172	-128.2	0	0	111.2
491	S	27.8	Very low	28.2	Very low	90 Å²	90	153.6 Å²	153.6	63%	0.629	81%	0.809	S	S	*	*			trans	50	125	165.8	-144.2	0	0	0	0	118.4
492	N	31.3	Very low	28	Very low	145 Å²	145	152.1 Å²	152.1	78%	0.775	81%	0.808	S	S	*	*				-172.6	145.2	74.9	-86	-64.3	0	0	0	112.3
493	N	26.1	Very low	28	Very low	168 Å²	168	154.5 Å²	154.5	90%	0.898	81%	0.805	S	S	*	*			trans	-85.3	113.6	163.4	-83.4	-13.3	0	0	0	110
494	A	27.6	Very low	28.3	Very low	92 Å²	92	157.8 Å²	157.8	76%	0.76	80%	0.799	S	S	*	*			trans	-138.8	131.6	165.7	0	0	0	0	0	110.2	H496	A494-H496 PolarHBondContact O-N 3.38Å
495	Y	25.1	Very low	28.1	Very low	230 Å²	230	151.9 Å²	151.9	90%	0.902	79%	0.789	S	S	*	*			trans	-69.2	125.9	179.2	-64.8	-97	0	0	0	110.7
496	H	32	Very low	28.5	Very low	198 Å²	198	152.5 Å²	152.5	92%	0.917	79%	0.787	S	S	*	*			trans	-148	140.9	149.6	-117.4	-79.8	0	0	0	113.2	A494	A494-H496 PolarHBondContact O-N 3.38Å
497	R	24.6	Very low	28.5	Very low	223 Å²	223	150.7 Å²	150.7	84%	0.842	77%	0.769	S	S	*	*			trans	-107.4	118.9	-175.3	173	-156.6	-75.3	-179.9	-6.7	109.8
498	K	29.7	Very low	28.6	Very low	184 Å²	184	150 Å²	150	80%	0.8	77%	0.771	S	S	*	*			trans	171.2	126.8	134.2	-97.1	171.5	-178.5	-173.2	0	112.9
499	T	25.2	Very low	29.1	Very low	120 Å²	120	147 Å²	147	74%	0.736	75%	0.754	S	S	*	*			trans	8.9	134.1	137.6	54.4	0	0	0	0	117.7
500	T	25.7	Very low	29.5	Very low	144 Å²	144	143 Å²	143	88%	0.883	74%	0.743	S	S	*	*			cis	-155.1	175.3	46.8	44.1	0	0	0	0	112.5
501	G	26	Very low	30.8	Very low	67 Å²	67	138 Å²	138	69%	0.691	72%	0.72	S	S	*	*	S	Bend	trans	122.7	18.8	139.3	0	0	0	0	0	122.1
502	N	27.8	Very low	32.8	Very low	168 Å²	168	134.7 Å²	134.7	90%	0.898	70%	0.698	S	S	*	*			trans	-165	137.7	147.5	-116.9	-22.5	0	0	0	113.3
503	I	27.7	Very low	35.3	Very low	151 Å²	151	130.6 Å²	130.6	77%	0.774	68%	0.676	S	S	*	*			trans	-112.6	80.5	-179.8	-54.7	178.2	0	0	0	109.3	S505	I503-S505 WeakPolarHBondContact CG2-OG 3.49Å
504	E	30.9	Very low	38.4	Very low	148 Å²	148	127.1 Å²	127.1	69%	0.692	65%	0.651	S	S	*	*			trans	-105.5	55.2	152.6	-96.7	-143.4	115	0	0	108.6	R506	E504-R506 PolarHBondContact O-N 2.88Å; E504-R506 IonicContact OE1-CZ 3.96Å; E504-R506 IonicContact OE1-NE 2.71Å; E504-R506 PolarHBondContact OE1-NE 2.84Å; E504-R506 IonicContact OE1-NH2 3.3Å; E504-R506 PolarHBondContact OE1-NH2 3.19Å; E504-R506 IonicContact OE2-NH2 2.96Å; E504-R506 PolarHBondContact OE2-NH2 3.42Å
505	S	27.8	Very low	41.5	Very low	95 Å²	95	123.5 Å²	123.5	66%	0.664	62%	0.618	S	S	*	*			trans	-73.4	70.2	170.8	58.5	0	0	0	0	110.2	I503 I507	I503-S505 WeakPolarHBondContact CG2-OG 3.49Å; S505-I507 PolarHBondContact O-N 2.9Å; S505-I507 VanDerWaalsContact O-N 3.09Å
506	R	32.4	Very low	44.7	Very low	187 Å²	187	116.3 Å²	116.3	71%	0.706	60%	0.599	S	S	*	*			trans	-57.2	117.7	166.8	-67.8	-171.3	-169.6	150.6	15	107.4	E504 P508	E504-R506 PolarHBondContact O-N 2.88Å; E504-R506 IonicContact OE1-CZ 3.96Å; E504-R506 IonicContact OE1-NE 2.71Å; E504-R506 PolarHBondContact OE1-NE 2.84Å; E504-R506 IonicContact OE1-NH2 3.3Å; E504-R506 PolarHBondContact OE1-NH2 3.19Å; E504-R506 IonicContact OE2-NH2 2.96Å; E504-R506 PolarHBondContact OE2-NH2 3.42Å; R506-P508 WeakPolarHBondContact O-CD 3.32Å; R506-P508 VanDerWaalsContact O-N 3.16Å
507	I	29.4	Very low	47.6	Very low	66 Å²	66	107.9 Å²	107.9	34%	0.338	56%	0.562	S	S	.	*			trans	-55.5	121.8	174.6	-65.7	165.1	0	0	0	106.5	T94 T97 S505 I509	T94-I507 HydrophobicContact CG2-CB 4.04Å; T94-I507 HydrophobicContact CG2-CD1 4.05Å; T94-I507 HydrophobicContact CG2-CG2 4.2Å; T97-I507 HydrophobicContact CG2-CD1 4.46Å; S505-I507 PolarHBondContact O-N 2.9Å; S505-I507 VanDerWaalsContact O-N 3.09Å; I507-I509 PolarHBondContact O-N 3.47Å
508	P	32	Very low	50.9	Low	113 Å²	113	105.1 Å²	105.1	73%	0.734	56%	0.558	S	S	*	*			trans	-65.7	104.3	176.2	26.1	-32	0	0	0	107.5	R506 Q510	R506-P508 WeakPolarHBondContact O-CD 3.32Å; R506-P508 VanDerWaalsContact O-N 3.16Å; P508-Q510 PolarHBondContact O-N 2.91Å; P508-Q510 VanDerWaalsContact O-N 3.12Å
509	I	38.4	Very low	54	Low	82 Å²	82	99.1 Å²	99.1	42%	0.421	53%	0.533	S	S	.	.			trans	-50.2	121.7	170.1	-59.9	172.1	0	0	0	105.9	I507 Q511	I507-I509 PolarHBondContact O-N 3.47Å; I509-Q511 VanDerWaalsContact C-N 3.28Å; I509-Q511 PolarHBondContact O-N 2.99Å
510	Q	43.2	Very low	57.4	Low	140 Å²	140	93.5 Å²	93.5	65%	0.654	50%	0.499	S	S	*	.			trans	-69.7	88.7	-174	-71.6	-177.1	-26.9	0	0	110.1	N87 A90 P508 A512	N87-Q510 WeakPolarHBondContact CB-O 3.44Å; N87-Q510 PolarHBondContact ND2-O 3.13Å; A90-Q510 HydrophobicContact CB-CB 3.86Å; P508-Q510 PolarHBondContact O-N 2.91Å; P508-Q510 VanDerWaalsContact O-N 3.12Å; Q510-A512 PolarHBondContact O-N 3.16Å
511	Q	56.5	Low	60.7	Low	87 Å²	87	91.7 Å²	91.7	41%	0.407	48%	0.479	S	S	.	.			trans	-52.1	116.7	178.8	-68.2	171.7	-17.4	0	0	109.5	E78 Y84 I509	E78-Q511 PolarHBondContact OE1-NE2 2.88Å; Y84-Q511 HydrophobicContact CD1-CG 4.03Å; Y84-Q511 HydrophobicContact CD2-CB 3.88Å; Y84-Q511 HydrophobicContact CD2-CG 3.65Å; Y84-Q511 HydrophobicContact CE1-CG 4.28Å; Y84-Q511 HydrophobicContact CE2-CG 3.92Å; Y84-Q511 HydrophobicContact CG-CB 3.82Å; Y84-Q511 HydrophobicContact CG-CG 3.72Å; I509-Q511 VanDerWaalsContact C-N 3.28Å; I509-Q511 PolarHBondContact O-N 2.99Å
512	A	68.7	Low	64	Low	20 Å²	20	90.5 Å²	90.5	17%	0.165	46%	0.459	C	S	.	.	B	Isolated β-bridge	trans	-91.1	115.4	-179.8	0	0	0	0	0	109.4	F85 N87 Q510 R514	F85-A512 HydrophobicContact CB-CB 4.37Å; F85-A512 VanDerWaalsContact CB-O 3.32Å; F85-A512 WeakPolarHBondContact CB-O 3.17Å; F85-A512 WeakPolarHBondContact CD2-O 3.26Å; F85-A512 PolarHBondContact N-O 3.27Å; F85-A512 PolarHBondContact O-N 3.38Å; N87-A512 HydrophobicContact CB-CB 4.04Å; Q510-A512 PolarHBondContact O-N 3.16Å; A512-R514 PolarHBondContact O-N 2.76Å
513	N	83.7	Confident	67.2	Low	59 Å²	59	82.8 Å²	82.8	32%	0.316	42%	0.418	S	S	.	.	S	Bend	trans	-88.2	15.4	169.3	-63.9	-5.2	0	0	0	111.4	P43 F44	P43-N513 CarbonylContact C-O 3.55Å; P43-N513 VanDerWaalsContact CA-O 3.27Å; P43-N513 WeakPolarHBondContact CA-O 3.42Å; P43-N513 HydrophobicContact CB-CB 4.16Å; F44-N513 PolarHBondContact N-O 3.28Å
514	R	91.1	Very high	70.4	Confident	96 Å²	96	81.4 Å²	81.4	36%	0.362	41%	0.412	S	S	.	.	S	Bend	trans	-140.7	137.2	-170.6	-68.8	169.8	161.6	-78.5	0.6	108.8	S41 P43 A512 E667	S41-R514 PolarHBondContact O-NH1 3.12Å; P43-R514 HydrophobicContact CB-CG 4.36Å; A512-R514 PolarHBondContact O-N 2.76Å; R514-E667 IonicContact CZ-OE1 2.88Å; R514-E667 IonicContact NE-OE1 2.73Å; R514-E667 VanDerWaalsContact NH2-CD 3.32Å; R514-E667 IonicContact NH2-OE1 2.78Å; R514-E667 PolarHBondContact NH2-OE1 3.14Å; R514-E667 IonicContact NH2-OE2 2.65Å
515	L	92.9	Very high	73.6	Confident	15 Å²	15	75.5 Å²	75.5	8%	0.079	39%	0.385	C	S	.	.			trans	-87.7	150.7	173.7	-68.8	176	0	0	0	110.2	F44 I73 F85 Q519 L520 L523	F44-L515 HydrophobicContact CE1-CD1 4.48Å; F44-L515 HydrophobicContact CE2-CD1 4.04Å; F44-L515 HydrophobicContact CE2-CG 4.12Å; F44-L515 HydrophobicContact CZ-CD1 3.83Å; F44-L515 HydrophobicContact CZ-CG 4.4Å; I73-L515 HydrophobicContact CD1-CD1 4.13Å; I73-L515 HydrophobicContact CG2-CD2 4.09Å; F85-L515 HydrophobicContact CD1-CD2 3.86Å; F85-L515 HydrophobicContact CD2-CD2 3.77Å; F85-L515 HydrophobicContact CD2-CG 4.11Å; F85-L515 HydrophobicContact CE1-CD2 3.84Å; F85-L515 HydrophobicContact CE1-CG 4.33Å; F85-L515 HydrophobicContact CE2-CD2 3.76Å; F85-L515 HydrophobicContact CE2-CG 3.67Å; F85-L515 HydrophobicContact CG-CD2 3.84Å; F85-L515 HydrophobicContact CZ-CD1 4.21Å; F85-L515 HydrophobicContact CZ-CD2 3.8Å; F85-L515 HydrophobicContact CZ-CG 3.79Å; L515-Q519 HydrophobicContact CB-CB 4.07Å; L515-Q519 HydrophobicContact CD2-CB 4.25Å; L515-L520 HydrophobicContact CB-CD2 3.91Å; L515-L520 HydrophobicContact CB-CG 3.88Å; L515-L520 HydrophobicContact CD1-CD2 4.13Å; L515-L523 HydrophobicContact CD1-CD1 4.2Å
516	T	92.8	Very high	76.8	Confident	80 Å²	80	76.9 Å²	76.9	49%	0.491	38%	0.381	S	S	.	.			trans	-68.3	156.8	170.5	61.8	0	0	0	0	111.2	Q518 Q519 L520	T516-Q518 PolarHBondContact O-N 2.73Å; T516-Q519 PolarHBondContact O-N 3.43Å; T516-Q519 WeakPolarHBondContact OG1-CG 3.29Å; T516-Q519 PolarHBondContact OG1-N 3.39Å; T516-Q519 PolarHBondContact OG1-OE1 2.69Å; T516-L520 WeakPolarHBondContact O-CG 3.34Å; T516-L520 PolarHBondContact O-N 3.4Å
517	S	93.9	Very high	79.9	Confident	20 Å²	20	75.9 Å²	75.9	14%	0.14	38%	0.384	C	S	.	.	H	α-helix	trans	-52.4	-40.8	174.2	172.9	0	0	0	0	112.6	E38 Y39 Q519 L520 K521	E38-S517 VanDerWaalsContact CD-OG 3.24Å; E38-S517 WeakPolarHBondContact OE2-CB 3.15Å; E38-S517 PolarHBondContact OE2-OG 3.26Å; Y39-S517 PolarHBondContact N-OG 3.2Å; Y39-S517 WeakPolarHBondContact O-CA 3.25Å; Y39-S517 WeakPolarHBondContact O-CB 3.38Å; S517-Q519 PolarHBondContact O-N 3.34Å; S517-L520 PolarHBondContact O-N 3.16Å; S517-K521 WeakPolarHBondContact O-CB 3.46Å; S517-K521 PolarHBondContact O-N 2.92Å
518	Q	93.6	Very high	83.1	Confident	166 Å²	166	74 Å²	74	78%	0.776	38%	0.381	S	S	*	.	H	α-helix	trans	-63.7	-39.5	176.1	-177.3	174.4	-28.6	0	0	112.7	T516 S522	T516-Q518 PolarHBondContact O-N 2.73Å; Q518-S522 WeakPolarHBondContact O-CB 3.17Å; Q518-S522 PolarHBondContact O-N 3.41Å
519	Q	94.2	Very high	86.2	Confident	58 Å²	58	69.7 Å²	69.7	27%	0.271	36%	0.355	S	S	.	.	H	α-helix	trans	-69.3	-45	174.2	-72.8	162.4	-47.4	0	0	111.5	L515 T516 S517 K521 S522 L523	L515-Q519 HydrophobicContact CB-CB 4.07Å; L515-Q519 HydrophobicContact CD2-CB 4.25Å; T516-Q519 PolarHBondContact O-N 3.43Å; T516-Q519 WeakPolarHBondContact OG1-CG 3.29Å; T516-Q519 PolarHBondContact OG1-N 3.39Å; T516-Q519 PolarHBondContact OG1-OE1 2.69Å; S517-Q519 PolarHBondContact O-N 3.34Å; Q519-K521 VanDerWaalsContact C-N 3.28Å; Q519-K521 PolarHBondContact O-N 3.3Å; Q519-S522 PolarHBondContact O-N 3.38Å; Q519-S522 VanDerWaalsContact O-N 3.11Å; Q519-S522 PolarHBondContact O-OG 3.4Å; Q519-L523 WeakPolarHBondContact O-CG 3.36Å; Q519-L523 PolarHBondContact O-N 3.27Å; Q519-L523 VanDerWaalsContact O-N 3.16Å
520	L	96.1	Very high	89	Confident	2 Å²	2	65.8 Å²	65.8	1%	0.01	34%	0.335	C	S	.	.	H	α-helix	trans	-58.1	-41	175.2	-70.8	171.7	0	0	0	111.8	V31 Y39 F44 L515 T516 S517 L523	V31-L520 HydrophobicContact CG1-CD1 4.5Å; V31-L520 HydrophobicContact CG1-CD2 4.5Å; V31-L520 HydrophobicContact CG2-CD2 4.07Å; Y39-L520 HydrophobicContact CG-CB 4.44Å; F44-L520 HydrophobicContact CE2-CD2 4.31Å; F44-L520 HydrophobicContact CZ-CD2 4.37Å; L515-L520 HydrophobicContact CB-CD2 3.91Å; L515-L520 HydrophobicContact CB-CG 3.88Å; L515-L520 HydrophobicContact CD1-CD2 4.13Å; T516-L520 WeakPolarHBondContact O-CG 3.34Å; T516-L520 PolarHBondContact O-N 3.4Å; S517-L520 PolarHBondContact O-N 3.16Å; L520-L523 HydrophobicContact CD2-CD1 4.26Å; L520-L523 VanDerWaalsContact O-CB 3.29Å; L520-L523 WeakPolarHBondContact O-CB 3.49Å; L520-L523 PolarHBondContact O-N 3.42Å
521	K	95.1	Very high	91.6	Very high	106 Å²	106	60.6 Å²	60.6	46%	0.461	31%	0.311	S	S	.	.	H	α-helix	trans	-68.5	-35.9	175.9	-166.5	167.4	-169.6	156.3	0	112.1	G37 Y39 S517 Q519 L523 N524	G37-K521 PolarHBondContact O-NZ 3.04Å; G37-K521 VanDerWaalsContact O-NZ 3.13Å; Y39-K521 HydrophobicContact CD2-CB 3.98Å; Y39-K521 HydrophobicContact CD2-CD 4.14Å; Y39-K521 HydrophobicContact CD2-CG 4.16Å; Y39-K521 HydrophobicContact CE2-CB 4.04Å; Y39-K521 HydrophobicContact CE2-CD 3.88Å; Y39-K521 HydrophobicContact CE2-CG 3.75Å; S517-K521 WeakPolarHBondContact O-CB 3.46Å; S517-K521 PolarHBondContact O-N 2.92Å; Q519-K521 VanDerWaalsContact C-N 3.28Å; Q519-K521 PolarHBondContact O-N 3.3Å; K521-L523 PolarHBondContact O-N 3.24Å; K521-N524 PolarHBondContact O-N 2.7Å
522	S	95	Very high	93.5	Very high	41 Å²	41	56.5 Å²	56.5	29%	0.287	29%	0.292	S	S	.	.	H	α-helix	trans	-69.4	-18.1	175.3	91.6	0	0	0	0	113.1	R70 D72 Q518 Q519 N524	R70-S522 PolarHBondContact NH1-O 3.47Å; R70-S522 PolarHBondContact NH2-O 2.92Å; R70-S522 PolarHBondContact NH2-OG 2.92Å; D72-S522 PolarHBondContact OD2-OG 2.81Å; Q518-S522 WeakPolarHBondContact O-CB 3.17Å; Q518-S522 PolarHBondContact O-N 3.41Å; Q519-S522 PolarHBondContact O-N 3.38Å; Q519-S522 VanDerWaalsContact O-N 3.11Å; Q519-S522 PolarHBondContact O-OG 3.4Å; S522-N524 PolarHBondContact O-N 3.02Å; S522-N524 PolarHBondContact O-ND2 2.95Å
523	L	95.8	Very high	94.8	Very high	7 Å²	7	55.7 Å²	55.7	4%	0.037	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-23.6	177.1	-68.5	-175.2	0	0	0	113.6	I65 R70 I73 L515 Q519 L520 K521 L525 I550	I65-L523 HydrophobicContact CG1-CD2 4.09Å; R70-L523 PolarHBondContact NH1-O 3.03Å; I73-L523 HydrophobicContact CD1-CD2 3.42Å; I73-L523 VanDerWaalsContact CD1-CD2 3.42Å; L515-L523 HydrophobicContact CD1-CD1 4.2Å; Q519-L523 WeakPolarHBondContact O-CG 3.36Å; Q519-L523 PolarHBondContact O-N 3.27Å; Q519-L523 VanDerWaalsContact O-N 3.16Å; L520-L523 HydrophobicContact CD2-CD1 4.26Å; L520-L523 VanDerWaalsContact O-CB 3.29Å; L520-L523 WeakPolarHBondContact O-CB 3.49Å; L520-L523 PolarHBondContact O-N 3.42Å; K521-L523 PolarHBondContact O-N 3.24Å; L523-L525 VanDerWaalsContact C-N 3.33Å; L523-L525 HydrophobicContact CB-CD1 4.44Å; L523-L525 HydrophobicContact CB-CD2 4.09Å; L523-L525 HydrophobicContact CB-CG 3.81Å; L523-L525 HydrophobicContact CD1-CD1 4.18Å; L523-L525 HydrophobicContact CD1-CD2 4.21Å; L523-L525 HydrophobicContact CD1-CG 4.27Å; L523-I550 HydrophobicContact CD1-CD1 4.25Å
524	N	94.9	Very high	95.3	Very high	122 Å²	122	52.9 Å²	52.9	65%	0.652	27%	0.27	S	S	*	.			trans	53.9	47.5	-173	-56.3	-55.1	0	0	0	112.2	K521 S522	K521-N524 PolarHBondContact O-N 2.7Å; S522-N524 PolarHBondContact O-N 3.02Å; S522-N524 PolarHBondContact O-ND2 2.95Å
525	L	97.2	Very high	95.1	Very high	23 Å²	23	49 Å²	49	12%	0.12	26%	0.257	C	S	.	.	P	Polyproline II helix	trans	-64.5	139.5	175.5	-61.1	171.3	0	0	0	110.8	V31 I65 L523 N530 I550 L552	V31-L525 HydrophobicContact CB-CD1 4.23Å; V31-L525 HydrophobicContact CG1-CD1 4.22Å; V31-L525 HydrophobicContact CG2-CD1 4.02Å; I65-L525 HydrophobicContact CG2-CD2 4.08Å; L523-L525 VanDerWaalsContact C-N 3.33Å; L523-L525 HydrophobicContact CB-CD1 4.44Å; L523-L525 HydrophobicContact CB-CD2 4.09Å; L523-L525 HydrophobicContact CB-CG 3.81Å; L523-L525 HydrophobicContact CD1-CD1 4.18Å; L523-L525 HydrophobicContact CD1-CD2 4.21Å; L523-L525 HydrophobicContact CD1-CG 4.27Å; L525-N530 HydrophobicContact CD2-CB 3.76Å; L525-I550 HydrophobicContact CD1-CG2 3.71Å; L525-I550 HydrophobicContact CD2-CB 4.16Å; L525-I550 HydrophobicContact CD2-CD1 4.37Å; L525-I550 HydrophobicContact CD2-CG2 3.98Å; L525-L552 HydrophobicContact CB-CB 4.13Å; L525-L552 HydrophobicContact CB-CD2 4.05Å
526	H	96.6	Very high	94.7	Very high	124 Å²	124	48.7 Å²	48.7	57%	0.574	26%	0.256	S	S	*	.	P	Polyproline II helix	trans	-85.4	154.9	167.1	-45.9	91.4	0	0	0	109.4	N66 N530 L552	N66-H526 PolarHBondContact ND2-ND1 3.49Å; H526-N530 PolarHBondContact N-OD1 2.95Å; H526-N530 PolarHBondContact ND1-OD1 3.23Å; H526-N530 PolarHBondContact O-ND2 3.06Å; H526-L552 WeakPolarHBondContact O-CB 3.47Å
527	E	96.2	Very high	93.9	Very high	167 Å²	167	48.9 Å²	48.9	78%	0.78	26%	0.257	S	S	*	.	S	Bend	trans	-61.2	138.4	172.7	-67.1	177.6	-177.5	0	0	111.2	L552	E527-L552 HydrophobicContact CG-CD2 4.4Å
528	G	96.7	Very high	92.7	Very high	25 Å²	25	48.4 Å²	48.4	26%	0.258	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	83.2	-153.8	-169.6	0	0	0	0	0	113.1	N530 Y551 L552	G528-N530 PolarHBondContact O-ND2 3.34Å; G528-N530 VanDerWaalsContact O-ND2 3.09Å; G528-Y551 WeakPolarHBondContact O-CA 3.44Å; G528-L552 PolarHBondContact N-O 3.15Å; G528-L552 PolarHBondContact O-N 2.79Å
529	A	97.2	Very high	91.2	Very high	24 Å²	24	49.8 Å²	49.8	20%	0.198	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	132.9	-172.2	0	0	0	0	0	113.8	F549 Y551	A529-F549 HydrophobicContact CB-CB 4.42Å; A529-F549 HydrophobicContact CB-CD1 4.15Å; A529-F549 HydrophobicContact CB-CG 4.33Å; A529-Y551 HydrophobicContact CB-CD1 4.05Å; A529-Y551 HydrophobicContact CB-CE1 3.64Å
530	N	98.3	Very high	89.5	Confident	0 Å²	0	55.6 Å²	55.6	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	133.9	172.6	-62.3	-96.2	0	0	0	109.5	N66 L525 H526 G528 A532 F549 I550	N66-N530 PolarHBondContact ND2-OD1 3.03Å; N66-N530 VanDerWaalsContact OD1-CA 3.29Å; N66-N530 WeakPolarHBondContact OD1-CA 3.48Å; N66-N530 WeakPolarHBondContact OD1-CB 3.37Å; L525-N530 HydrophobicContact CD2-CB 3.76Å; H526-N530 PolarHBondContact N-OD1 2.95Å; H526-N530 PolarHBondContact ND1-OD1 3.23Å; H526-N530 PolarHBondContact O-ND2 3.06Å; G528-N530 PolarHBondContact O-ND2 3.34Å; G528-N530 VanDerWaalsContact O-ND2 3.09Å; N530-A532 PolarHBondContact O-N 3.19Å; N530-F549 CarbonylContact O-C 3.58Å; N530-F549 VanDerWaalsContact O-CA 3.25Å; N530-F549 WeakPolarHBondContact O-CA 3.42Å; N530-I550 HydrophobicContact CB-CB 4.39Å; N530-I550 WeakPolarHBondContact CB-O 3.28Å; N530-I550 PolarHBondContact N-O 3.11Å; N530-I550 PolarHBondContact ND2-O 2.89Å; N530-I550 PolarHBondContact O-N 2.92Å
531	E	97.3	Very high	87.9	Confident	31 Å²	31	57.8 Å²	57.8	15%	0.145	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	125.5	179.6	-179.1	177.7	176.4	0	0	110.1	I65 N66 Y435 P438 V533	I65-E531 CarbonylContact C-O 3.52Å; I65-E531 WeakPolarHBondContact CA-O 3.21Å; N66-E531 PolarHBondContact N-O 2.74Å; N66-E531 PolarHBondContact OD1-N 3.36Å; Y435-E531 PolarHBondContact OH-OE1 2.82Å; P438-E531 VanDerWaalsContact CD-OE1 3.29Å; P438-E531 WeakPolarHBondContact CD-OE1 3.45Å; P438-E531 HydrophobicContact CG-CG 3.78Å; E531-V533 HydrophobicContact CG-CG2 4.09Å
532	A	97.2	Very high	86.7	Confident	0 Å²	0	53.7 Å²	53.7	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	125.5	174.5	0	0	0	0	0	110.8	I65 N530 F534 A547 C548 I550	I65-A532 HydrophobicContact CD1-CB 3.52Å; N530-A532 PolarHBondContact O-N 3.19Å; A532-F534 HydrophobicContact CB-CE2 4.1Å; A532-F534 HydrophobicContact CB-CZ 4.31Å; A532-A547 CarbonylContact O-C 3.6Å; A532-A547 WeakPolarHBondContact O-CA 3.38Å; A532-C548 PolarHBondContact N-O 3.22Å; A532-C548 PolarHBondContact O-N 3.06Å; A532-C548 VanDerWaalsContact O-O 3.11Å; A532-I550 HydrophobicContact CB-CD1 3.78Å; A532-I550 HydrophobicContact CB-CG1 3.77Å
533	V	95.4	Very high	85.8	Confident	4 Å²	4	54.8 Å²	54.8	2%	0.024	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	133	-176.2	176.3	0	0	0	0	109.7	C64 Y435 E531 C546 A547	C64-V533 HydrophobicContact CB-CB 4.44Å; C64-V533 PolarHBondContact N-O 3.22Å; C64-V533 PolarHBondContact O-N 3.34Å; Y435-V533 HydrophobicContact CE2-CG1 4.27Å; Y435-V533 HydrophobicContact CE2-CG2 4.4Å; Y435-V533 WeakPolarHBondContact OH-CG2 3.33Å; E531-V533 HydrophobicContact CG-CG2 4.09Å; V533-C546 WeakPolarHBondContact CA-O 3.29Å; V533-A547 HydrophobicContact CG2-CB 3.81Å
534	F	92.8	Very high	84.9	Confident	0 Å²	0	55.9 Å²	55.9	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	123.5	-178	-55.9	-88.9	0	0	0	108.1	A26 F44 V46 F48 V61 V63 M75 A532 Q545 C546	A26-F534 HydrophobicContact CB-CD2 4.41Å; A26-F534 HydrophobicContact CB-CE2 4.49Å; F44-F534 HydrophobicContact CD1-CZ 4.07Å; V46-F534 HydrophobicContact CG1-CB 4Å; V46-F534 HydrophobicContact CG1-CD1 4.39Å; V46-F534 HydrophobicContact CG1-CD2 4.2Å; V46-F534 HydrophobicContact CG1-CG 3.93Å; V46-F534 HydrophobicContact CG2-CD1 4.17Å; V46-F534 HydrophobicContact CG2-CD2 3.88Å; V46-F534 HydrophobicContact CG2-CE1 4.07Å; V46-F534 HydrophobicContact CG2-CE2 3.79Å; V46-F534 HydrophobicContact CG2-CG 4.09Å; V46-F534 HydrophobicContact CG2-CZ 3.89Å; F48-F534 HydrophobicContact CZ-CB 3.85Å; V61-F534 HydrophobicContact CG1-CB 3.79Å; V61-F534 HydrophobicContact CG1-CD1 4.21Å; V63-F534 HydrophobicContact CG1-CD1 4.42Å; V63-F534 HydrophobicContact CG1-CE1 4.09Å; V63-F534 HydrophobicContact CG2-CD1 4.09Å; V63-F534 HydrophobicContact CG2-CE1 4.25Å; M75-F534 HydrophobicContact CE-CD1 4.08Å; M75-F534 HydrophobicContact CE-CE1 4.14Å; M75-F534 HydrophobicContact SD-CD1 3.63Å; M75-F534 HydrophobicContact SD-CE1 3.76Å; A532-F534 HydrophobicContact CB-CE2 4.1Å; A532-F534 HydrophobicContact CB-CZ 4.31Å; F534-Q545 VanDerWaalsContact O-CA 3.31Å; F534-Q545 WeakPolarHBondContact O-CA 3.39Å; F534-C546 PolarHBondContact N-O 3.01Å; F534-C546 PolarHBondContact O-N 3.33Å
535	S	88.6	Confident	84.5	Confident	13 Å²	13	54.2 Å²	54.2	9%	0.091	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	142.3	-175.1	-42.2	0	0	0	0	111.7	V61 D62 C544 Q545	V61-S535 CarbonylContact C-O 3.35Å; V61-S535 WeakPolarHBondContact CA-O 3.44Å; D62-S535 PolarHBondContact N-O 3.18Å; D62-S535 PolarHBondContact O-N 3.33Å; S535-C544 CarbonylContact C-O 3.32Å; S535-C544 WeakPolarHBondContact CA-O 3.49Å; S535-Q545 PolarHBondContact OG-NE2 2.83Å
536	V	83.8	Confident	84	Confident	10 Å²	10	53.6 Å²	53.6	6%	0.061	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	126.2	176.6	173.1	0	0	0	0	109.1	F48 H59 V61 V77 T543 C544	F48-V536 HydrophobicContact CD1-CB 4.25Å; F48-V536 HydrophobicContact CD1-CG2 4.03Å; F48-V536 HydrophobicContact CD2-CG2 3.92Å; F48-V536 HydrophobicContact CE1-CB 4.11Å; F48-V536 HydrophobicContact CE1-CG2 3.7Å; F48-V536 HydrophobicContact CE2-CG2 3.59Å; F48-V536 HydrophobicContact CG-CG2 4.13Å; F48-V536 HydrophobicContact CZ-CB 4.37Å; F48-V536 HydrophobicContact CZ-CG2 3.48Å; F48-V536 VanDerWaalsContact CZ-CG2 3.48Å; H59-V536 HydrophobicContact CB-CG1 3.93Å; V61-V536 HydrophobicContact CB-CG2 4.26Å; V61-V536 HydrophobicContact CG1-CG2 4.28Å; V61-V536 HydrophobicContact CG2-CG2 3.78Å; V77-V536 HydrophobicContact CG2-CG1 4.46Å; V77-V536 HydrophobicContact CG2-CG2 3.61Å; V536-T543 WeakPolarHBondContact O-CA 3.19Å; V536-C544 PolarHBondContact N-O 3.12Å; V536-C544 PolarHBondContact O-N 2.99Å
537	V	76.7	Confident	83.8	Confident	84 Å²	84	49.3 Å²	49.3	51%	0.509	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	114.5	178.4	-171.8	0	0	0	0	110.4	T543	V537-T543 HydrophobicContact CG2-CG2 4.2Å
538	S	68.2	Low	83.8	Confident	10 Å²	10	41.5 Å²	41.5	7%	0.07	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	134.8	177.7	153.2	0	0	0	0	110.2	Y540 Q541 G542	S538-Y540 PolarHBondContact O-N 3.06Å; S538-Y540 VanDerWaalsContact O-N 3.09Å; S538-Q541 PolarHBondContact O-N 3.03Å; S538-Q541 PolarHBondContact OG-OE1 3.15Å; S538-Q541 VanDerWaalsContact OG-OE1 3.1Å; S538-G542 PolarHBondContact N-O 3.15Å; S538-G542 PolarHBondContact O-N 2.87Å
539	K	61.1	Low	83.8	Confident	195 Å²	195	41.9 Å²	41.9	85%	0.848	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-25.9	-177	-73.1	-173.1	177.7	-179.4	0	114.2
540	Y	60	Low	83.9	Confident	180 Å²	180	40.7 Å²	40.7	71%	0.706	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-108.9	-1.4	-173.3	-57.1	-61.3	0	0	0	113.7	S538	S538-Y540 PolarHBondContact O-N 3.06Å; S538-Y540 VanDerWaalsContact O-N 3.09Å
541	Q	61.9	Low	83.9	Confident	48 Å²	48	41 Å²	41	22%	0.224	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-133.9	-10.5	-176.6	-61	170.8	-91.1	0	0	113.8	M51 F430 S538	M51-Q541 VanDerWaalsContact O-CD 3.32Å; M51-Q541 PolarHBondContact O-NE2 2.82Å; M51-Q541 PolarHBondContact O-OE1 2.88Å; F430-Q541 WeakPolarHBondContact CE1-O 3.38Å; S538-Q541 PolarHBondContact O-N 3.03Å; S538-Q541 PolarHBondContact OG-OE1 3.15Å; S538-Q541 VanDerWaalsContact OG-OE1 3.1Å
542	G	69.6	Low	83.9	Confident	20 Å²	20	40 Å²	40	21%	0.206	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	70.8	-142.9	-167.4	0	0	0	0	0	111.1	S538	S538-G542 PolarHBondContact N-O 3.15Å; S538-G542 PolarHBondContact O-N 2.87Å
543	T	76.7	Confident	83.9	Confident	63 Å²	63	40.7 Å²	40.7	39%	0.387	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	122.3	-173.8	-47.1	0	0	0	0	111.5	V536 V537 Q545	V536-T543 WeakPolarHBondContact O-CA 3.19Å; V537-T543 HydrophobicContact CG2-CG2 4.2Å; T543-Q545 HydrophobicContact CG2-CG 3.93Å
544	C	77.3	Confident	83.9	Confident	30 Å²	30	44 Å²	44	20%	0.203	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	140.9	165.6	-166	0	0	0	0	109.5	F48 S535 V536	F48-C544 HydrophobicContact CD1-CB 4.26Å; S535-C544 CarbonylContact C-O 3.32Å; S535-C544 WeakPolarHBondContact CA-O 3.49Å; V536-C544 PolarHBondContact N-O 3.12Å; V536-C544 PolarHBondContact O-N 2.99Å
545	Q	84.7	Confident	83.8	Confident	87 Å²	87	47.9 Å²	47.9	41%	0.407	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	145.1	-179.3	-61	-170.1	-56.1	0	0	112.4	F534 S535 T543	F534-Q545 VanDerWaalsContact O-CA 3.31Å; F534-Q545 WeakPolarHBondContact O-CA 3.39Å; S535-Q545 PolarHBondContact OG-NE2 2.83Å; T543-Q545 HydrophobicContact CG2-CG 3.93Å
546	C	87.2	Confident	84	Confident	10 Å²	10	49.8 Å²	49.8	7%	0.068	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	158.4	163	51	0	0	0	0	111.1	T24 A26 V533 F534	T24-C546 HydrophobicContact CG2-CB 3.83Å; A26-C546 HydrophobicContact CB-CB 4.43Å; V533-C546 WeakPolarHBondContact CA-O 3.29Å; F534-C546 PolarHBondContact N-O 3.01Å; F534-C546 PolarHBondContact O-N 3.33Å
547	A	92	Very high	84.4	Confident	34 Å²	34	50.6 Å²	50.6	28%	0.281	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	143.3	-178.7	0	0	0	0	0	112.6	A532 V533 R619	A532-A547 CarbonylContact O-C 3.6Å; A532-A547 WeakPolarHBondContact O-CA 3.38Å; V533-A547 HydrophobicContact CG2-CB 3.81Å; A547-R619 PolarHBondContact O-NH2 3.04Å
548	C	96.3	Very high	85.3	Confident	3 Å²	3	49.1 Å²	49.1	2%	0.02	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	-179.5	171	66.2	0	0	0	0	109.9	A26 I27 D28 A532	A26-C548 HydrophobicContact CB-CB 3.8Å; I27-C548 VanDerWaalsContact O-CB 3.22Å; I27-C548 WeakPolarHBondContact O-CB 3.18Å; I27-C548 PolarHBondContact O-SG 2.75Å; D28-C548 WeakPolarHBondContact OD1-CA 3.45Å; D28-C548 WeakPolarHBondContact OD1-CB 3.11Å; A532-C548 PolarHBondContact N-O 3.22Å; A532-C548 PolarHBondContact O-N 3.06Å; A532-C548 VanDerWaalsContact O-O 3.11Å
549	F	98	Very high	86.6	Confident	33 Å²	33	48.6 Å²	48.6	15%	0.145	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	143.5	171	-66	-66.7	0	0	0	111.2	D28 V29 P438 A529 N530 Y551	D28-F549 CarbonylContact C-O 3.6Å; D28-F549 WeakPolarHBondContact CA-O 3.12Å; D28-F549 PolarHBondContact OD1-N 3.45Å; V29-F549 PolarHBondContact N-O 3.29Å; P438-F549 HydrophobicContact CB-CE1 4.19Å; P438-F549 HydrophobicContact CB-CE2 4.39Å; P438-F549 HydrophobicContact CB-CZ 3.71Å; P438-F549 HydrophobicContact CG-CE1 4.23Å; P438-F549 HydrophobicContact CG-CZ 4.26Å; A529-F549 HydrophobicContact CB-CB 4.42Å; A529-F549 HydrophobicContact CB-CD1 4.15Å; A529-F549 HydrophobicContact CB-CG 4.33Å; N530-F549 CarbonylContact O-C 3.58Å; N530-F549 VanDerWaalsContact O-CA 3.25Å; N530-F549 WeakPolarHBondContact O-CA 3.42Å; F549-Y551 HydrophobicContact CB-CD2 4.03Å; F549-Y551 HydrophobicContact CB-CE2 3.46Å; F549-Y551 VanDerWaalsContact CB-CE2 3.46Å; F549-Y551 HydrophobicContact CG-CE2 4.37Å
550	I	98.4	Very high	88.4	Confident	0 Å²	0	39.3 Å²	39.3	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	113.4	166.2	-54.4	173.9	0	0	0	107.4	V29 V31 F44 I65 L523 L525 N530 A532	V29-I550 HydrophobicContact CB-CG1 4.28Å; V29-I550 HydrophobicContact CB-CG2 4.41Å; V29-I550 HydrophobicContact CG1-CG2 4.43Å; V29-I550 CarbonylContact O-C 3.55Å; V29-I550 WeakPolarHBondContact O-CA 3.5Å; V31-I550 HydrophobicContact CB-CG2 4.42Å; V31-I550 HydrophobicContact CG2-CG2 3.44Å; V31-I550 VanDerWaalsContact CG2-CG2 3.44Å; F44-I550 HydrophobicContact CE1-CD1 3.81Å; F44-I550 HydrophobicContact CE1-CG1 4.34Å; F44-I550 HydrophobicContact CZ-CD1 4.13Å; I65-I550 HydrophobicContact CD1-CD1 3.76Å; L523-I550 HydrophobicContact CD1-CD1 4.25Å; L525-I550 HydrophobicContact CD1-CG2 3.71Å; L525-I550 HydrophobicContact CD2-CB 4.16Å; L525-I550 HydrophobicContact CD2-CD1 4.37Å; L525-I550 HydrophobicContact CD2-CG2 3.98Å; N530-I550 HydrophobicContact CB-CB 4.39Å; N530-I550 WeakPolarHBondContact CB-O 3.28Å; N530-I550 PolarHBondContact N-O 3.11Å; N530-I550 PolarHBondContact ND2-O 2.89Å; N530-I550 PolarHBondContact O-N 2.92Å; A532-I550 HydrophobicContact CB-CD1 3.78Å; A532-I550 HydrophobicContact CB-CG1 3.77Å
551	Y	98.5	Very high	90.2	Very high	5 Å²	5	30.8 Å²	30.8	2%	0.02	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	114.1	179.6	-70.8	-94.8	0	0	0	110.1	D28 V29 V31 G528 A529 F549 D634 G635 P636	D28-Y551 HydrophobicContact CB-CD2 4.44Å; D28-Y551 HydrophobicContact CB-CE2 4.1Å; V29-Y551 PolarHBondContact O-N 3.33Å; V31-Y551 PolarHBondContact N-O 2.88Å; G528-Y551 WeakPolarHBondContact O-CA 3.44Å; A529-Y551 HydrophobicContact CB-CD1 4.05Å; A529-Y551 HydrophobicContact CB-CE1 3.64Å; F549-Y551 HydrophobicContact CB-CD2 4.03Å; F549-Y551 HydrophobicContact CB-CE2 3.46Å; F549-Y551 VanDerWaalsContact CB-CE2 3.46Å; F549-Y551 HydrophobicContact CG-CE2 4.37Å; Y551-D634 PolarHBondContact OH-OD1 2.98Å; Y551-G635 PolarHBondContact OH-N 2.96Å; Y551-G635 PolarHBondContact OH-O 2.87Å; Y551-P636 HydrophobicContact CD2-CB 3.62Å; Y551-P636 HydrophobicContact CD2-CG 4.17Å; Y551-P636 HydrophobicContact CE2-CB 3.71Å; Y551-P636 HydrophobicContact CE2-CG 4.43Å; Y551-P636 HydrophobicContact CG-CB 4.36Å; Y551-P636 HydrophobicContact CG-CG 4.44Å
552	L	98.1	Very high	91.9	Very high	12 Å²	12	28.5 Å²	28.5	6%	0.063	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	117.8	169.7	179.8	65.7	0	0	0	109.8	V31 K33 Y39 L525 H526 E527 G528	V31-L552 HydrophobicContact CB-CD1 4.22Å; V31-L552 HydrophobicContact CG1-CD1 3.83Å; V31-L552 CarbonylContact O-C 3.53Å; V31-L552 WeakPolarHBondContact O-CA 3.28Å; K33-L552 HydrophobicContact CB-CD1 4.3Å; Y39-L552 HydrophobicContact CD1-CD1 4.05Å; Y39-L552 HydrophobicContact CE1-CD1 3.79Å; L525-L552 HydrophobicContact CB-CB 4.13Å; L525-L552 HydrophobicContact CB-CD2 4.05Å; H526-L552 WeakPolarHBondContact O-CB 3.47Å; E527-L552 HydrophobicContact CG-CD2 4.4Å; G528-L552 PolarHBondContact N-O 3.15Å; G528-L552 PolarHBondContact O-N 2.79Å
553	W	97.2	Very high	93	Very high	13 Å²	13	27.7 Å²	27.7	5%	0.049	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	161.9	178.5	-70.3	-13.7	0	0	0	111.4	I30 V31 V32 K33 D557 I559 K603 I605 P636 F672	I30-W553 HydrophobicContact CD1-CH2 4.32Å; I30-W553 HydrophobicContact CD1-CZ3 3.88Å; I30-W553 HydrophobicContact CG2-CD2 4.21Å; I30-W553 HydrophobicContact CG2-CE3 3.6Å; I30-W553 HydrophobicContact CG2-CZ3 4Å; V31-W553 PolarHBondContact O-N 2.94Å; V32-W553 WeakPolarHBondContact CA-O 3.35Å; K33-W553 PolarHBondContact N-O 2.79Å; W553-D557 WeakPolarHBondContact CA-OD2 3.19Å; W553-D557 WeakPolarHBondContact CB-OD2 3.17Å; W553-I559 HydrophobicContact CE3-CD1 4.18Å; W553-I559 HydrophobicContact CZ3-CD1 3.76Å; W553-I559 HydrophobicContact CZ3-CG1 4.09Å; W553-K603 HydrophobicContact CD2-CG 4.26Å; W553-K603 HydrophobicContact CH2-CB 3.91Å; W553-K603 HydrophobicContact CZ2-CB 3.77Å; W553-K603 HydrophobicContact CZ2-CG 4.2Å; W553-K603 HydrophobicContact CZ3-CB 4.4Å; W553-I605 HydrophobicContact CH2-CD1 4.4Å; W553-I605 HydrophobicContact CH2-CG1 3.76Å; W553-I605 HydrophobicContact CZ3-CD1 4.15Å; W553-I605 HydrophobicContact CZ3-CG1 4.01Å; W553-P636 HydrophobicContact CH2-CG 3.65Å; W553-P636 VanDerWaalsContact CZ2-CD 3.46Å; W553-P636 HydrophobicContact CZ2-CG 3.99Å; W553-P636 HydrophobicContact CZ3-CG 4.44Å; W553-F672 HydrophobicContact CE3-CZ 4.24Å
554	H	94.2	Very high	93.7	Very high	75 Å²	75	24.7 Å²	24.7	35%	0.347	13%	0.127	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	147.9	177.6	-170.1	-115.9	0	0	0	110.2	S556 D557	H554-S556 PolarHBondContact ND1-OG 3.26Å; H554-S556 PolarHBondContact O-N 3.28Å; H554-D557 PolarHBondContact N-OD2 3.24Å; H554-D557 VanDerWaalsContact O-CB 3.31Å; H554-D557 WeakPolarHBondContact O-CB 3.21Å; H554-D557 PolarHBondContact O-N 2.94Å
555	W	92.2	Very high	94	Very high	81 Å²	81	23.9 Å²	23.9	31%	0.307	12%	0.121	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-18.1	178.9	67.5	-90	0	0	0	114.8	V32 K33 K35 F672	V32-W555 HydrophobicContact CG1-CB 4.22Å; K33-W555 PolarHBondContact O-N 2.9Å; K35-W555 HydrophobicContact CD-CD2 4.38Å; K35-W555 HydrophobicContact CD-CZ2 4.41Å; K35-W555 VanDerWaalsContact CE-CE3 3.47Å; K35-W555 VanDerWaalsContact CE-CH2 3.43Å; K35-W555 HydrophobicContact CG-CD2 3.7Å; K35-W555 HydrophobicContact CG-CE3 4.32Å; K35-W555 HydrophobicContact CG-CG 3.97Å; K35-W555 HydrophobicContact CG-CZ2 4.06Å; W555-F672 WeakPolarHBondContact O-CD1 3.37Å
556	S	91.1	Very high	94	Very high	52 Å²	52	20 Å²	20	36%	0.364	10%	0.104	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93	-2.1	176.3	75.2	0	0	0	0	114	H554	H554-S556 PolarHBondContact ND1-OG 3.26Å; H554-S556 PolarHBondContact O-N 3.28Å
557	D	93.6	Very high	94.2	Very high	28 Å²	28	19.5 Å²	19.5	15%	0.15	10%	0.101	C	C	.	.			trans	-66.2	133	178.5	-79.8	-40.2	0	0	0	110.1	W553 H554 K603 F672	W553-D557 WeakPolarHBondContact CA-OD2 3.19Å; W553-D557 WeakPolarHBondContact CB-OD2 3.17Å; H554-D557 PolarHBondContact N-OD2 3.24Å; H554-D557 VanDerWaalsContact O-CB 3.31Å; H554-D557 WeakPolarHBondContact O-CB 3.21Å; H554-D557 PolarHBondContact O-N 2.94Å; D557-K603 HydrophobicContact CB-CG 3.98Å; D557-K603 WeakPolarHBondContact OD1-CE 3.42Å; D557-K603 IonicContact OD1-NZ 3.25Å; D557-K603 PolarHBondContact OD1-NZ 2.86Å; D557-K603 WeakPolarHBondContact OD2-CE 3.37Å; D557-K603 IonicContact OD2-NZ 3.68Å; D557-F672 HydrophobicContact CB-CE1 4.49Å
558	K	94.5	Very high	94.1	Very high	52 Å²	52	17.9 Å²	17.9	23%	0.226	9%	0.087	C	C	.	.			trans	-108.4	136.3	179.7	-70.2	-55.1	-165	178.8	0	110.8	Y602 K603 I688 P689 I691	K558-Y602 HydrophobicContact CB-CD1 4.15Å; K558-Y602 HydrophobicContact CB-CE1 4.39Å; K558-Y602 WeakPolarHBondContact O-CA 3.32Å; K558-K603 PolarHBondContact O-N 3.21Å; K558-I688 PolarHBondContact NZ-O 2.97Å; K558-P689 WeakPolarHBondContact CA-O 3.42Å; K558-I691 HydrophobicContact CB-CD1 4.38Å; K558-I691 HydrophobicContact CB-CG1 3.74Å; K558-I691 HydrophobicContact CD-CD1 3.99Å; K558-I691 HydrophobicContact CD-CG1 4.23Å; K558-I691 HydrophobicContact CG-CD1 4.28Å; K558-I691 HydrophobicContact CG-CG1 4.18Å
559	I	96.8	Very high	93.6	Very high	0 Å²	0	18 Å²	18	0%	0	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	140.2	-159.3	-58.8	169.9	0	0	0	111.4	W553 K603 I605 V668 F672 P689 F690 I691	W553-I559 HydrophobicContact CE3-CD1 4.18Å; W553-I559 HydrophobicContact CZ3-CD1 3.76Å; W553-I559 HydrophobicContact CZ3-CG1 4.09Å; I559-K603 CarbonylContact C-O 3.33Å; I559-K603 WeakPolarHBondContact CA-O 3.46Å; I559-K603 HydrophobicContact CG1-CB 4.39Å; I559-I605 HydrophobicContact CD1-CD1 4.3Å; I559-I605 HydrophobicContact CG2-CB 4.32Å; I559-I605 HydrophobicContact CG2-CD1 3.83Å; I559-I605 HydrophobicContact CG2-CG1 3.71Å; I559-V668 HydrophobicContact CD1-CG1 4.38Å; I559-F672 HydrophobicContact CD1-CE2 3.82Å; I559-F672 HydrophobicContact CD1-CZ 3.7Å; I559-P689 HydrophobicContact CD1-CB 4.08Å; I559-P689 PolarHBondContact N-O 3.07Å; I559-F690 HydrophobicContact CB-CD1 3.82Å; I559-F690 HydrophobicContact CB-CE1 4.27Å; I559-F690 HydrophobicContact CD1-CD1 4.36Å; I559-F690 HydrophobicContact CD1-CE1 4.12Å; I559-F690 HydrophobicContact CG2-CD1 3.73Å; I559-F690 HydrophobicContact CG2-CE1 3.91Å; I559-F690 CarbonylContact O-C 3.42Å; I559-F690 WeakPolarHBondContact O-CA 3.33Å; I559-I691 PolarHBondContact O-N 3.25Å
560	V	98.1	Very high	92.7	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	128	164.8	174.5	0	0	0	0	109	I597 Y602 K603 F604 I605 A692 F694 F827	V560-I597 HydrophobicContact CG2-CG2 3.98Å; V560-Y602 HydrophobicContact CG2-CD1 4.49Å; V560-Y602 HydrophobicContact CG2-CG 4.41Å; V560-K603 PolarHBondContact N-O 2.89Å; V560-F604 HydrophobicContact CB-CD1 4.34Å; V560-F604 HydrophobicContact CB-CE1 4.09Å; V560-F604 HydrophobicContact CB-CE2 4.48Å; V560-F604 HydrophobicContact CB-CZ 4.16Å; V560-F604 HydrophobicContact CG1-CD1 4.21Å; V560-F604 HydrophobicContact CG1-CE1 3.66Å; V560-F604 HydrophobicContact CG1-CZ 3.98Å; V560-F604 CarbonylContact O-C 3.52Å; V560-F604 WeakPolarHBondContact O-CA 3.44Å; V560-I605 PolarHBondContact O-N 3.08Å; V560-A692 HydrophobicContact CG1-CB 4.37Å; V560-A692 HydrophobicContact CG2-CB 4.35Å; V560-F694 HydrophobicContact CG1-CD2 3.69Å; V560-F694 HydrophobicContact CG1-CE2 3.69Å; V560-F827 HydrophobicContact CG2-CD1 4.26Å; V560-F827 HydrophobicContact CG2-CE1 3.88Å
561	I	97.8	Very high	91.1	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	139.9	175.2	-53.5	155.3	0	0	0	108.7	L607 L665 F690 A692 G693 F694 Y704 I707 L709	I561-L607 HydrophobicContact CG2-CB 4.37Å; I561-L607 HydrophobicContact CG2-CD2 4.32Å; I561-L665 HydrophobicContact CD1-CD1 4.09Å; I561-L665 HydrophobicContact CD1-CD2 3.86Å; I561-L665 HydrophobicContact CG1-CD2 4.08Å; I561-L665 HydrophobicContact CG2-CD2 4.22Å; I561-F690 HydrophobicContact CD1-CB 4.25Å; I561-F690 HydrophobicContact CD1-CD1 3.57Å; I561-F690 HydrophobicContact CD1-CD2 4.06Å; I561-F690 HydrophobicContact CD1-CE1 3.84Å; I561-F690 HydrophobicContact CD1-CE2 4.25Å; I561-F690 HydrophobicContact CD1-CG 3.7Å; I561-F690 HydrophobicContact CD1-CZ 4.16Å; I561-F690 HydrophobicContact CG1-CD1 3.65Å; I561-F690 HydrophobicContact CG1-CE1 3.83Å; I561-F690 HydrophobicContact CG1-CG 4.28Å; I561-A692 PolarHBondContact N-O 3.3Å; I561-G693 WeakPolarHBondContact O-CA 3.49Å; I561-F694 PolarHBondContact O-N 3.44Å; I561-Y704 HydrophobicContact CB-CE1 4.2Å; I561-Y704 HydrophobicContact CD1-CD1 4.24Å; I561-Y704 HydrophobicContact CD1-CE1 4.24Å; I561-Y704 HydrophobicContact CG2-CE1 3.76Å; I561-I707 HydrophobicContact CD1-CD1 3.64Å; I561-L709 HydrophobicContact CD1-CD1 4.24Å
562	S	97.1	Very high	89.1	Confident	0 Å²	0	23.6 Å²	23.6	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	126.3	167.7	-178	0	0	0	0	109.8	Y594 I605 Y606 L607 F694	S562-Y594 WeakPolarHBondContact OG-CE2 3.34Å; S562-Y594 PolarHBondContact OG-OH 3.49Å; S562-I605 PolarHBondContact N-O 3.14Å; S562-Y606 CarbonylContact O-C 3.57Å; S562-Y606 WeakPolarHBondContact O-CA 3.45Å; S562-L607 PolarHBondContact O-N 3.44Å; S562-F694 WeakPolarHBondContact CA-O 3.24Å
563	D	93.9	Very high	86.8	Confident	4 Å²	4	28.7 Å²	28.7	2%	0.021	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.5	157.1	155.8	-176.2	86.1	0	0	0	110.1	D565 T567 L607 K661 F694	D563-D565 PolarHBondContact OD2-N 3.16Å; D563-T567 HydrophobicContact CB-CG2 4.43Å; D563-T567 WeakPolarHBondContact O-CB 3.21Å; D563-T567 WeakPolarHBondContact O-CG2 3.28Å; D563-T567 PolarHBondContact OD2-OG1 2.71Å; D563-L607 CarbonylContact C-O 3.54Å; D563-L607 VanDerWaalsContact CA-O 3.31Å; D563-L607 WeakPolarHBondContact CA-O 3.45Å; D563-K661 WeakPolarHBondContact OD1-CE 3.3Å; D563-K661 IonicContact OD1-NZ 2.85Å; D563-K661 PolarHBondContact OD1-NZ 3.23Å; D563-F694 PolarHBondContact N-O 2.94Å
564	I	90.7	Very high	84.6	Confident	0 Å²	0	30.6 Å²	30.6	0%	0	15%	0.148	C	C	.	.			trans	-97.7	-41.6	179.9	-61.8	171.8	0	0	0	112.2	G566 I568 T569 L607 T618 L622 I637	I564-G566 PolarHBondContact O-N 2.65Å; I564-I568 HydrophobicContact CG1-CD1 4.47Å; I564-I568 PolarHBondContact O-N 3.21Å; I564-T569 PolarHBondContact O-N 3.31Å; I564-T569 VanDerWaalsContact O-N 3.15Å; I564-T569 PolarHBondContact O-OG1 3.38Å; I564-L607 PolarHBondContact N-O 3.15Å; I564-T618 HydrophobicContact CD1-CG2 3.68Å; I564-L622 HydrophobicContact CD1-CD1 3.98Å; I564-L622 HydrophobicContact CD1-CD2 4.44Å; I564-L622 HydrophobicContact CD1-CG 4.49Å; I564-L622 HydrophobicContact CG1-CD1 4.4Å; I564-L622 HydrophobicContact CG1-CD2 4.39Å; I564-L622 HydrophobicContact CG2-CD2 4.09Å; I564-I637 HydrophobicContact CD1-CG2 4.02Å
565	D	84.6	Confident	82.5	Confident	12 Å²	12	27.1 Å²	27.1	6%	0.064	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99	90.6	-150.4	-80.1	-54.7	0	0	0	112	D563 D572 S608 R610 N696	D563-D565 PolarHBondContact OD2-N 3.16Å; D565-D572 HydrophobicContact CB-CB 4.25Å; D565-S608 WeakPolarHBondContact OD2-CB 3.47Å; D565-S608 PolarHBondContact OD2-OG 3.16Å; D565-R610 IonicContact OD1-CZ 3.05Å; D565-R610 VanDerWaalsContact OD1-CZ 3.25Å; D565-R610 IonicContact OD1-NE 3.51Å; D565-R610 PolarHBondContact OD1-NE 3.01Å; D565-R610 IonicContact OD1-NH2 2.96Å; D565-R610 PolarHBondContact OD1-NH2 3.39Å; D565-R610 WeakPolarHBondContact OD2-CD 3.24Å; D565-R610 IonicContact OD2-CZ 2.76Å; D565-R610 IonicContact OD2-NE 3.35Å; D565-R610 PolarHBondContact OD2-NE 3.3Å; D565-R610 IonicContact OD2-NH2 3.65Å; D565-N696 PolarHBondContact O-ND2 2.62Å
566	G	83.7	Confident	80.5	Confident	5 Å²	5	25 Å²	25	5%	0.052	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	87.5	7	-167.5	0	0	0	0	0	113.3	I564 T569 N696	I564-G566 PolarHBondContact O-N 2.65Å; G566-T569 CarbonylContact C-O 3.5Å; G566-T569 WeakPolarHBondContact CA-O 3.31Å; G566-T569 PolarHBondContact N-O 3.27Å; G566-T569 PolarHBondContact N-OG1 3.41Å; G566-N696 WeakPolarHBondContact CA-ND2 3.27Å; G566-N696 VanDerWaalsContact O-CB 3.27Å; G566-N696 WeakPolarHBondContact O-CB 3.38Å; G566-N696 PolarHBondContact O-ND2 2.81Å
567	T	91.3	Very high	78.4	Confident	1 Å²	1	23.9 Å²	23.9	1%	0.006	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.1	-50.3	173.7	-59.1	0	0	0	0	111.1	D563 T569 H587 F694 G695 N696 V717	D563-T567 HydrophobicContact CB-CG2 4.43Å; D563-T567 WeakPolarHBondContact O-CB 3.21Å; D563-T567 WeakPolarHBondContact O-CG2 3.28Å; D563-T567 PolarHBondContact OD2-OG1 2.71Å; T567-T569 PolarHBondContact N-O 3.2Å; T567-H587 PolarHBondContact O-CD2 3.3Å; T567-H587 VanDerWaalsContact O-CD2 3.29Å; T567-F694 HydrophobicContact CG2-CB 4.18Å; T567-G695 VanDerWaalsContact OG1-C 3.31Å; T567-G695 WeakPolarHBondContact OG1-CA 3.38Å; T567-N696 WeakPolarHBondContact OG1-CB 3.39Å; T567-N696 PolarHBondContact OG1-N 2.94Å; T567-V717 HydrophobicContact CG2-CG1 4.05Å
568	I	90.7	Very high	76.3	Confident	0 Å²	0	23.7 Å²	23.7	0%	0	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.3	-47.2	169.9	-63.8	174.8	0	0	0	109.5	I564 T586 H587 I590 Y594 Y606 L622 I625 L632	I564-I568 HydrophobicContact CG1-CD1 4.47Å; I564-I568 PolarHBondContact O-N 3.21Å; I568-T586 HydrophobicContact CG2-CG2 4.46Å; I568-T586 VanDerWaalsContact O-CA 3.26Å; I568-T586 WeakPolarHBondContact O-CA 3.43Å; I568-T586 WeakPolarHBondContact O-CB 3.43Å; I568-H587 PolarHBondContact O-N 2.99Å; I568-H587 VanDerWaalsContact O-N 3.09Å; I568-I590 HydrophobicContact CG2-CG2 4.38Å; I568-Y594 HydrophobicContact CD1-CE2 4.16Å; I568-Y594 HydrophobicContact CG1-CE2 4.07Å; I568-Y606 HydrophobicContact CD1-CD1 3.66Å; I568-Y606 HydrophobicContact CD1-CE1 3.64Å; I568-L622 HydrophobicContact CD1-CD2 4.25Å; I568-I625 HydrophobicContact CG2-CD1 3.85Å; I568-L632 HydrophobicContact CD1-CD1 4.39Å; I568-L632 HydrophobicContact CG2-CD1 4.04Å; I568-L632 HydrophobicContact CG2-CD2 4.37Å
569	T	84.6	Confident	73.9	Confident	4 Å²	4	25 Å²	25	3%	0.025	13%	0.128	C	C	.	.	B	Isolated β-bridge	trans	-77.1	156.7	168	66.7	0	0	0	0	110.1	I564 G566 T567 S571 W585 H587 L621	I564-T569 PolarHBondContact O-N 3.31Å; I564-T569 VanDerWaalsContact O-N 3.15Å; I564-T569 PolarHBondContact O-OG1 3.38Å; G566-T569 CarbonylContact C-O 3.5Å; G566-T569 WeakPolarHBondContact CA-O 3.31Å; G566-T569 PolarHBondContact N-O 3.27Å; G566-T569 PolarHBondContact N-OG1 3.41Å; T567-T569 PolarHBondContact N-O 3.2Å; T569-S571 PolarHBondContact O-N 3.13Å; T569-S571 PolarHBondContact OG1-O 2.93Å; T569-W585 CarbonylContact C-O 3.6Å; T569-W585 VanDerWaalsContact CA-O 3.26Å; T569-W585 WeakPolarHBondContact CA-O 3.3Å; T569-H587 PolarHBondContact O-CD2 2.76Å; T569-H587 PolarHBondContact O-NE2 2.72Å; T569-L621 HydrophobicContact CG2-CD2 4.42Å
570	K	79.6	Confident	71.3	Confident	84 Å²	84	32.5 Å²	32.5	37%	0.365	17%	0.167	S	C	.	.	S	Bend	trans	-76.4	-6.9	176.9	-60.2	-174	-171.1	-179.1	0	114.8	W585 T586 H587	K570-W585 PolarHBondContact N-O 3.42Å; K570-T586 WeakPolarHBondContact CE-O 3.14Å; K570-H587 WeakPolarHBondContact CA-NE2 3.35Å
571	S	65.5	Low	68.7	Low	38 Å²	38	34.8 Å²	34.8	27%	0.266	18%	0.181	S	C	.	.	S	Bend	trans	-166.5	151.7	174	53.2	0	0	0	0	110.9	T569 W573 W585	T569-S571 PolarHBondContact O-N 3.13Å; T569-S571 PolarHBondContact OG1-O 2.93Å; S571-W573 PolarHBondContact O-N 2.91Å; S571-W585 PolarHBondContact OG-NE1 3.49Å
572	D	55.6	Low	66.2	Low	35 Å²	35	38.3 Å²	38.3	19%	0.187	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-48.9	-175.7	-39.1	37.1	0	0	0	111.7	N204 D565 R697	N204-D572 PolarHBondContact ND2-OD2 2.81Å; D565-D572 HydrophobicContact CB-CB 4.25Å; D572-R697 IonicContact OD1-CZ 2.72Å; D572-R697 IonicContact OD1-NH2 3.08Å; D572-R697 PolarHBondContact OD1-NH2 3.07Å; D572-R697 IonicContact OD2-CZ 2.64Å; D572-R697 VanDerWaalsContact OD2-CZ 3.3Å; D572-R697 IonicContact OD2-NE 2.62Å; D572-R697 PolarHBondContact OD2-NE 2.78Å; D572-R697 IonicContact OD2-NH2 2.7Å; D572-R697 PolarHBondContact OD2-NH2 3.36Å
573	W	51	Low	64	Low	119 Å²	119	44.1 Å²	44.1	45%	0.451	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.5	-38.8	-165.4	-167.4	-119.1	0	0	0	114.3	Y15 S571 G575 Q576	Y15-W573 AromaticContact CD1-CH2 3.97Å; Y15-W573 HydrophobicContact CD1-CH2 3.97Å; Y15-W573 AromaticContact CD2-CH2 3.73Å; Y15-W573 HydrophobicContact CD2-CH2 3.73Å; Y15-W573 AromaticContact CD2-CZ2 3.9Å; Y15-W573 HydrophobicContact CD2-CZ2 3.9Å; Y15-W573 AromaticContact CE1-CH2 3.65Å; Y15-W573 HydrophobicContact CE1-CH2 3.65Å; Y15-W573 HydrophobicContact CE1-CZ3 4.11Å; Y15-W573 AromaticContact CE2-CH2 3.42Å; Y15-W573 HydrophobicContact CE2-CH2 3.42Å; Y15-W573 VanDerWaalsContact CE2-CH2 3.42Å; Y15-W573 AromaticContact CE2-CZ2 3.86Å; Y15-W573 HydrophobicContact CE2-CZ2 3.86Å; Y15-W573 HydrophobicContact CE2-CZ3 4.04Å; Y15-W573 HydrophobicContact CG-CH2 4.01Å; Y15-W573 HydrophobicContact CG-CZ2 4.39Å; Y15-W573 AromaticContact CZ-CH2 3.38Å; Y15-W573 AromaticContact CZ-CZ3 3.69Å; S571-W573 PolarHBondContact O-N 2.91Å; W573-G575 PolarHBondContact O-N 3.4Å; W573-Q576 VanDerWaalsContact CZ3-OE1 3.26Å; W573-Q576 PolarHBondContact O-N 3.08Å
574	L	50.3	Low	62.4	Low	52 Å²	52	49.3 Å²	49.3	27%	0.272	27%	0.274	S	S	.	.	G	3₁₀ helix	trans	-67.9	-21.8	176.8	-103.9	69.5	0	0	0	111.9	Q576 L577 M578 W585	L574-Q576 PolarHBondContact O-N 2.89Å; L574-Q576 VanDerWaalsContact O-N 3.15Å; L574-L577 PolarHBondContact O-N 2.91Å; L574-M578 HydrophobicContact CB-CG 3.87Å; L574-M578 HydrophobicContact CD2-CG 3.95Å; L574-M578 HydrophobicContact CD2-SD 4Å; L574-M578 HydrophobicContact CG-CG 3.82Å; L574-M578 HydrophobicContact CG-SD 4.22Å; L574-M578 WeakPolarHBondContact O-CB 3.26Å; L574-M578 VanDerWaalsContact O-CG 3.26Å; L574-M578 WeakPolarHBondContact O-CG 3.46Å; L574-M578 PolarHBondContact O-N 3.43Å; L574-W585 HydrophobicContact CB-CD2 4.41Å; L574-W585 HydrophobicContact CB-CG 4.17Å; L574-W585 HydrophobicContact CD2-CD2 3.71Å; L574-W585 VanDerWaalsContact CD2-CE2 3.45Å; L574-W585 HydrophobicContact CD2-CE3 4.06Å; L574-W585 HydrophobicContact CD2-CG 4.29Å; L574-W585 HydrophobicContact CD2-CH2 3.98Å; L574-W585 HydrophobicContact CD2-CZ2 3.62Å; L574-W585 HydrophobicContact CD2-CZ3 4.18Å
575	G	50	Low	61.5	Low	3 Å²	3	53.7 Å²	53.7	3%	0.031	29%	0.29	C	S	.	.	G	3₁₀ helix	trans	-61.2	-14.8	172.9	0	0	0	0	0	115.2	W573 R610 L621	W573-G575 PolarHBondContact O-N 3.4Å; G575-R610 PolarHBondContact O-NH2 3.08Å; G575-L621 VanDerWaalsContact O-CD2 3.3Å; G575-L621 WeakPolarHBondContact O-CD2 3.49Å
576	Q	50.4	Low	61.5	Low	37 Å²	37	53.6 Å²	53.6	17%	0.173	29%	0.29	C	S	.	.	G	3₁₀ helix	trans	-97	-14.7	174.5	-75.2	159	-37	0	0	113	Y15 W573 L574	Y15-Q576 PolarHBondContact OH-NE2 3.09Å; Y15-Q576 VanDerWaalsContact OH-NE2 3.08Å; Y15-Q576 PolarHBondContact OH-OE1 3.13Å; Y15-Q576 VanDerWaalsContact OH-OE1 3.06Å; W573-Q576 VanDerWaalsContact CZ3-OE1 3.26Å; W573-Q576 PolarHBondContact O-N 3.08Å; L574-Q576 PolarHBondContact O-N 2.89Å; L574-Q576 VanDerWaalsContact O-N 3.15Å
577	L	46.8	Very low	61.7	Low	28 Å²	28	53.5 Å²	53.5	15%	0.147	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114.4	-31.3	-166.3	-64.6	165.7	0	0	0	113.7	A11 L574	A11-L577 HydrophobicContact CB-CD1 3.5Å; A11-L577 HydrophobicContact CB-CD2 3.45Å; A11-L577 VanDerWaalsContact CB-CD2 3.45Å; A11-L577 HydrophobicContact CB-CG 4.1Å; L574-L577 PolarHBondContact O-N 2.91Å
578	M	48.9	Very low	61.5	Low	23 Å²	23	60 Å²	60	11%	0.113	32%	0.318	C	S	.	.	G	3₁₀ helix	trans	-77.2	-12.4	-168.3	-65.9	-64.6	-75.2	0	0	118.4	L574 L580 V581 M583 W585	L574-M578 HydrophobicContact CB-CG 3.87Å; L574-M578 HydrophobicContact CD2-CG 3.95Å; L574-M578 HydrophobicContact CD2-SD 4Å; L574-M578 HydrophobicContact CG-CG 3.82Å; L574-M578 HydrophobicContact CG-SD 4.22Å; L574-M578 WeakPolarHBondContact O-CB 3.26Å; L574-M578 VanDerWaalsContact O-CG 3.26Å; L574-M578 WeakPolarHBondContact O-CG 3.46Å; L574-M578 PolarHBondContact O-N 3.43Å; M578-L580 PolarHBondContact O-N 3.05Å; M578-V581 HydrophobicContact CE-CB 3.94Å; M578-V581 HydrophobicContact CE-CG1 4.01Å; M578-V581 HydrophobicContact CE-CG2 4.35Å; M578-V581 PolarHBondContact O-N 3.27Å; M578-V581 HydrophobicContact SD-CB 4Å; M578-V581 HydrophobicContact SD-CG1 4.38Å; M578-V581 HydrophobicContact SD-CG2 3.75Å; M578-M583 HydrophobicContact CE-CB 3.87Å; M578-W585 HydrophobicContact CB-CB 4.4Å; M578-W585 HydrophobicContact CE-CE3 4.2Å; M578-W585 HydrophobicContact CG-CB 4.32Å; M578-W585 HydrophobicContact CG-CG 4.47Å
579	P	44.4	Very low	61.5	Low	80 Å²	80	62.7 Å²	62.7	52%	0.519	33%	0.331	S	S	.	.	G	3₁₀ helix	trans	-55.7	-23.1	172.2	-28.1	36.5	0	0	0	114.5	L621	P579-L621 HydrophobicContact CG-CD1 3.96Å
580	L	42	Very low	61.9	Low	157 Å²	157	62.7 Å²	62.7	82%	0.822	33%	0.331	S	S	*	.	G	3₁₀ helix	trans	-81.9	-11.7	177.9	-70.3	160.5	0	0	0	114.1	M578	M578-L580 PolarHBondContact O-N 3.05Å
581	V	43.3	Very low	62.6	Low	49 Å²	49	58.7 Å²	58.7	30%	0.297	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.3	-17.2	-167.6	-166.1	0	0	0	0	112.6	L7 M578 M583	L7-V581 HydrophobicContact CD2-CG2 3.65Å; M578-V581 HydrophobicContact CE-CB 3.94Å; M578-V581 HydrophobicContact CE-CG1 4.01Å; M578-V581 HydrophobicContact CE-CG2 4.35Å; M578-V581 PolarHBondContact O-N 3.27Å; M578-V581 HydrophobicContact SD-CB 4Å; M578-V581 HydrophobicContact SD-CG1 4.38Å; M578-V581 HydrophobicContact SD-CG2 3.75Å; V581-M583 VanDerWaalsContact C-N 3.27Å; V581-M583 HydrophobicContact CG1-CG 4.41Å; V581-M583 PolarHBondContact O-N 3.25Å
582	G	46.4	Very low	64	Low	73 Å²	73	59 Å²	59	75%	0.753	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.9	24.3	175.9	0	0	0	0	0	114.7
583	M	50.3	Low	66	Low	122 Å²	122	57.3 Å²	57.3	60%	0.601	30%	0.301	S	S	*	.			trans	-110.6	129.4	172.8	-66.2	-173.3	71.2	0	0	110.4	M578 V581 W585	M578-M583 HydrophobicContact CE-CB 3.87Å; V581-M583 VanDerWaalsContact C-N 3.27Å; V581-M583 HydrophobicContact CG1-CG 4.41Å; V581-M583 PolarHBondContact O-N 3.25Å; M583-W585 PolarHBondContact O-N 2.94Å
584	D	59.9	Low	68.2	Low	113 Å²	113	51.6 Å²	51.6	60%	0.604	28%	0.28	S	S	*	.			trans	-68.6	91.8	-179.5	-65.5	-45.8	0	0	0	112	T586	D584-T586 PolarHBondContact O-N 2.85Å; D584-T586 VanDerWaalsContact O-N 3.11Å
585	W	72	Confident	70.4	Confident	93 Å²	93	51.2 Å²	51.2	35%	0.352	28%	0.278	S	S	.	.			trans	-84.1	35.9	177.5	-153.2	-99.6	0	0	0	112.9	T569 K570 S571 L574 M578 M583	T569-W585 CarbonylContact C-O 3.6Å; T569-W585 VanDerWaalsContact CA-O 3.26Å; T569-W585 WeakPolarHBondContact CA-O 3.3Å; K570-W585 PolarHBondContact N-O 3.42Å; S571-W585 PolarHBondContact OG-NE1 3.49Å; L574-W585 HydrophobicContact CB-CD2 4.41Å; L574-W585 HydrophobicContact CB-CG 4.17Å; L574-W585 HydrophobicContact CD2-CD2 3.71Å; L574-W585 VanDerWaalsContact CD2-CE2 3.45Å; L574-W585 HydrophobicContact CD2-CE3 4.06Å; L574-W585 HydrophobicContact CD2-CG 4.29Å; L574-W585 HydrophobicContact CD2-CH2 3.98Å; L574-W585 HydrophobicContact CD2-CZ2 3.62Å; L574-W585 HydrophobicContact CD2-CZ3 4.18Å; M578-W585 HydrophobicContact CB-CB 4.4Å; M578-W585 HydrophobicContact CE-CE3 4.2Å; M578-W585 HydrophobicContact CG-CB 4.32Å; M578-W585 HydrophobicContact CG-CG 4.47Å; M583-W585 PolarHBondContact O-N 2.94Å
586	T	85.6	Confident	72.6	Confident	10 Å²	10	54 Å²	54	6%	0.061	29%	0.289	C	S	.	.	B	Isolated β-bridge	trans	-114.7	153.9	-174.4	50.8	0	0	0	0	112.2	I568 K570 D584 H588 I625 Q627	I568-T586 HydrophobicContact CG2-CG2 4.46Å; I568-T586 VanDerWaalsContact O-CA 3.26Å; I568-T586 WeakPolarHBondContact O-CA 3.43Å; I568-T586 WeakPolarHBondContact O-CB 3.43Å; K570-T586 WeakPolarHBondContact CE-O 3.14Å; D584-T586 PolarHBondContact O-N 2.85Å; D584-T586 VanDerWaalsContact O-N 3.11Å; T586-H588 PolarHBondContact O-N 3.1Å; T586-I625 HydrophobicContact CG2-CD1 3.67Å; T586-I625 HydrophobicContact CG2-CG1 3.88Å; T586-I625 HydrophobicContact CG2-CG2 4.02Å; T586-Q627 PolarHBondContact OG1-NE2 3.38Å
587	H	87.6	Confident	74.9	Confident	2 Å²	2	52.2 Å²	52.2	1%	0.009	28%	0.281	C	S	.	.			trans	-61.9	134.2	174.1	-75.7	-79.8	0	0	0	111	T567 I568 T569 K570 H589 I590 Q627 D718 G721 L816	T567-H587 PolarHBondContact O-CD2 3.3Å; T567-H587 VanDerWaalsContact O-CD2 3.29Å; I568-H587 PolarHBondContact O-N 2.99Å; I568-H587 VanDerWaalsContact O-N 3.09Å; T569-H587 PolarHBondContact O-CD2 2.76Å; T569-H587 PolarHBondContact O-NE2 2.72Å; K570-H587 WeakPolarHBondContact CA-NE2 3.35Å; H587-H589 PolarHBondContact O-N 3.28Å; H587-I590 HydrophobicContact CB-CB 4.23Å; H587-I590 WeakPolarHBondContact O-CB 3.33Å; H587-I590 WeakPolarHBondContact O-CG2 3.27Å; H587-I590 PolarHBondContact O-N 3.37Å; H587-I590 VanDerWaalsContact O-N 3.17Å; H587-Q627 PolarHBondContact O-NE2 3.19Å; H587-D718 PolarHBondContact CE1-O 2.63Å; H587-G721 WeakPolarHBondContact ND1-CA 3.15Å; H587-L816 HydrophobicContact CB-CD2 4.25Å
588	H	87	Confident	77.3	Confident	137 Å²	137	52.1 Å²	52.1	63%	0.634	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	133.5	-174.2	-150.6	122	0	0	0	109.7	T586 I590 L816	T586-H588 PolarHBondContact O-N 3.1Å; H588-I590 VanDerWaalsContact C-N 3.28Å; H588-I590 PolarHBondContact O-N 3.34Å; H588-L816 VanDerWaalsContact O-CD2 3.27Å; H588-L816 WeakPolarHBondContact O-CD2 3.49Å
589	H	90.6	Very high	79.5	Confident	58 Å²	58	55.9 Å²	55.9	27%	0.269	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.8	5.2	-174.6	-52	122.2	0	0	0	117.5	H587 A591 Q592 L593 Q627 D817 L820	H587-H589 PolarHBondContact O-N 3.28Å; H589-A591 VanDerWaalsContact C-N 3.27Å; H589-A591 PolarHBondContact O-N 3.47Å; H589-Q592 HydrophobicContact CB-CB 4.45Å; H589-Q592 PolarHBondContact CD2-OE1 3.28Å; H589-Q592 PolarHBondContact O-N 2.91Å; H589-L593 PolarHBondContact O-N 2.87Å; H589-Q627 VanDerWaalsContact CA-OE1 3.24Å; H589-Q627 VanDerWaalsContact N-OE1 3.16Å; H589-D817 IonicContact CE1-OD1 3.45Å; H589-D817 IonicContact CG-OD1 3.33Å; H589-D817 IonicContact ND1-OD1 3.29Å; H589-D817 PolarHBondContact ND1-OD1 3.45Å; H589-L820 HydrophobicContact CB-CD2 3.9Å
590	I	93.4	Very high	82	Confident	3 Å²	3	52.5 Å²	52.5	2%	0.015	28%	0.282	C	S	.	.	H	α-helix	trans	-56.2	-39.3	178.2	-166	67.6	0	0	0	112.8	I568 H587 H588 Q592 L593 Y594 L816	I568-I590 HydrophobicContact CG2-CG2 4.38Å; H587-I590 HydrophobicContact CB-CB 4.23Å; H587-I590 WeakPolarHBondContact O-CB 3.33Å; H587-I590 WeakPolarHBondContact O-CG2 3.27Å; H587-I590 PolarHBondContact O-N 3.37Å; H587-I590 VanDerWaalsContact O-N 3.17Å; H588-I590 VanDerWaalsContact C-N 3.28Å; H588-I590 PolarHBondContact O-N 3.34Å; I590-Q592 VanDerWaalsContact C-N 3.34Å; I590-Q592 PolarHBondContact O-N 2.99Å; I590-L593 PolarHBondContact O-N 3.34Å; I590-Y594 HydrophobicContact CD1-CD1 4.29Å; I590-Y594 HydrophobicContact CD1-CE1 3.74Å; I590-Y594 HydrophobicContact CD1-CE2 4.02Å; I590-Y594 HydrophobicContact CG1-CD2 4.34Å; I590-Y594 HydrophobicContact CG1-CE2 4.05Å; I590-Y594 PolarHBondContact O-N 2.88Å; I590-L816 HydrophobicContact CB-CD2 3.84Å; I590-L816 HydrophobicContact CD1-CD1 4.1Å; I590-L816 HydrophobicContact CD1-CD2 3.76Å; I590-L816 HydrophobicContact CG1-CD2 4.41Å
591	A	94.3	Very high	84.6	Confident	0 Å²	0	46.8 Å²	46.8	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-69	-33.8	177.6	0	0	0	0	0	112	H589 N595 Q627 L632	H589-A591 VanDerWaalsContact C-N 3.27Å; H589-A591 PolarHBondContact O-N 3.47Å; A591-N595 WeakPolarHBondContact O-CB 3.47Å; A591-N595 PolarHBondContact O-N 3.45Å; A591-Q627 HydrophobicContact CB-CB 4.12Å; A591-Q627 HydrophobicContact CB-CG 4.1Å; A591-Q627 VanDerWaalsContact N-OE1 3.09Å; A591-L632 HydrophobicContact CB-CD2 4.45Å
592	Q	95.4	Very high	87.2	Confident	44 Å²	44	44.7 Å²	44.7	21%	0.206	25%	0.248	C	C	.	.	H	α-helix	trans	-73.6	-38.5	176.7	-171.8	174.7	4.1	0	0	111.9	H589 I590 K596 Y630 L820	H589-Q592 HydrophobicContact CB-CB 4.45Å; H589-Q592 PolarHBondContact CD2-OE1 3.28Å; H589-Q592 PolarHBondContact O-N 2.91Å; I590-Q592 VanDerWaalsContact C-N 3.34Å; I590-Q592 PolarHBondContact O-N 2.99Å; Q592-K596 PolarHBondContact O-N 3.09Å; Q592-Y630 HydrophobicContact CB-CD1 4.37Å; Q592-Y630 HydrophobicContact CB-CD2 3.7Å; Q592-Y630 HydrophobicContact CB-CE2 4.16Å; Q592-Y630 HydrophobicContact CB-CG 3.82Å; Q592-Y630 HydrophobicContact CG-CD1 4.07Å; Q592-Y630 HydrophobicContact CG-CD2 3.58Å; Q592-Y630 HydrophobicContact CG-CE1 3.99Å; Q592-Y630 HydrophobicContact CG-CE2 3.49Å; Q592-Y630 VanDerWaalsContact CG-CE2 3.49Å; Q592-Y630 HydrophobicContact CG-CG 3.87Å; Q592-Y630 PolarHBondContact NE2-OH 3.4Å; Q592-L820 HydrophobicContact CB-CD1 4.42Å; Q592-L820 HydrophobicContact CB-CD2 4.42Å; Q592-L820 HydrophobicContact CG-CD1 3.89Å; Q592-L820 HydrophobicContact CG-CD2 4.13Å
593	L	95.7	Very high	89.6	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-61.3	-54.1	174.1	175.8	65.2	0	0	0	110.7	H589 I590 N595 K596 I597 F694 L816 L819 L820 V823	H589-L593 PolarHBondContact O-N 2.87Å; I590-L593 PolarHBondContact O-N 3.34Å; L593-N595 VanDerWaalsContact C-N 3.33Å; L593-N595 PolarHBondContact O-N 3.01Å; L593-K596 PolarHBondContact O-N 3.08Å; L593-I597 HydrophobicContact CD1-CD1 3.95Å; L593-I597 HydrophobicContact CD1-CG1 4.43Å; L593-I597 HydrophobicContact CG-CD1 3.96Å; L593-I597 WeakPolarHBondContact O-CG1 3.15Å; L593-I597 PolarHBondContact O-N 2.89Å; L593-F694 HydrophobicContact CD2-CE1 4.21Å; L593-F694 HydrophobicContact CD2-CZ 4.43Å; L593-L816 HydrophobicContact CD2-CD1 3.47Å; L593-L816 VanDerWaalsContact CD2-CD1 3.47Å; L593-L816 HydrophobicContact CD2-CG 3.83Å; L593-L819 HydrophobicContact CD1-CG 4.12Å; L593-L819 HydrophobicContact CD2-CD2 4.01Å; L593-L819 HydrophobicContact CD2-CG 4.42Å; L593-L820 HydrophobicContact CB-CD1 4.44Å; L593-L820 HydrophobicContact CD1-CB 4.35Å; L593-V823 HydrophobicContact CD1-CG2 3.53Å
594	Y	97.6	Very high	91.9	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-68	-33.5	-177.7	-69.7	-1.6	0	0	0	112.2	S562 I568 I590 I597 A598 F604 Y606 L632 F694	S562-Y594 WeakPolarHBondContact OG-CE2 3.34Å; S562-Y594 PolarHBondContact OG-OH 3.49Å; I568-Y594 HydrophobicContact CD1-CE2 4.16Å; I568-Y594 HydrophobicContact CG1-CE2 4.07Å; I590-Y594 HydrophobicContact CD1-CD1 4.29Å; I590-Y594 HydrophobicContact CD1-CE1 3.74Å; I590-Y594 HydrophobicContact CD1-CE2 4.02Å; I590-Y594 HydrophobicContact CG1-CD2 4.34Å; I590-Y594 HydrophobicContact CG1-CE2 4.05Å; I590-Y594 PolarHBondContact O-N 2.88Å; Y594-I597 HydrophobicContact CD1-CD1 4.34Å; Y594-I597 PolarHBondContact O-N 3.04Å; Y594-A598 WeakPolarHBondContact O-CB 3.41Å; Y594-A598 PolarHBondContact O-N 2.74Å; Y594-F604 AromaticContact CD1-CE1 3.66Å; Y594-F604 HydrophobicContact CD1-CE1 3.66Å; Y594-F604 AromaticContact CD1-CZ 3.77Å; Y594-F604 HydrophobicContact CD1-CZ 3.77Å; Y594-F604 HydrophobicContact CD2-CD1 4.15Å; Y594-F604 AromaticContact CD2-CE1 3.62Å; Y594-F604 HydrophobicContact CD2-CE1 3.62Å; Y594-F604 HydrophobicContact CD2-CZ 4.29Å; Y594-F604 HydrophobicContact CE1-CE1 4.02Å; Y594-F604 HydrophobicContact CE1-CZ 4.47Å; Y594-F604 HydrophobicContact CE2-CD1 4.5Å; Y594-F604 AromaticContact CE2-CE1 3.99Å; Y594-F604 HydrophobicContact CE2-CE1 3.99Å; Y594-F604 HydrophobicContact CG-CD1 4.34Å; Y594-F604 AromaticContact CG-CE1 3.44Å; Y594-F604 HydrophobicContact CG-CE1 3.44Å; Y594-F604 VanDerWaalsContact CG-CE1 3.44Å; Y594-F604 AromaticContact CG-CZ 3.66Å; Y594-F604 HydrophobicContact CG-CZ 3.66Å; Y594-F604 WeakPolarHBondContact O-CE2 3.38Å; Y594-Y606 HydrophobicContact CD2-CE1 4.34Å; Y594-Y606 HydrophobicContact CE2-CE1 4.36Å; Y594-L632 HydrophobicContact CD2-CD2 3.81Å; Y594-F694 HydrophobicContact CE1-CD1 4.14Å; Y594-F694 HydrophobicContact CE1-CD2 4.04Å; Y594-F694 HydrophobicContact CE1-CE1 4.15Å; Y594-F694 HydrophobicContact CE1-CE2 4.05Å; Y594-F694 HydrophobicContact CE1-CG 4.09Å; Y594-F694 HydrophobicContact CE1-CZ 4.11Å; Y594-F694 WeakPolarHBondContact OH-CB 3.36Å; Y594-F694 VanDerWaalsContact OH-CG 3.27Å; Y594-F694 WeakPolarHBondContact OH-CG 3.33Å
595	N	97.1	Very high	93.7	Very high	43 Å²	43	33.2 Å²	33.2	23%	0.23	17%	0.169	C	C	.	.	H	α-helix	trans	-63.2	-44.5	171.3	-174.9	-103	0	0	0	112.2	A591 L593 I597 A598 N599 Y630	A591-N595 WeakPolarHBondContact O-CB 3.47Å; A591-N595 PolarHBondContact O-N 3.45Å; L593-N595 VanDerWaalsContact C-N 3.33Å; L593-N595 PolarHBondContact O-N 3.01Å; N595-I597 PolarHBondContact O-N 3.48Å; N595-A598 PolarHBondContact O-N 3.01Å; N595-N599 WeakPolarHBondContact O-CB 3.35Å; N595-N599 PolarHBondContact O-N 2.73Å; N595-N599 PolarHBondContact O-ND2 3.47Å; N595-N599 VanDerWaalsContact O-ND2 3.08Å; N595-N599 PolarHBondContact O-OD1 3.09Å; N595-N599 PolarHBondContact OD1-ND2 3.11Å; N595-Y630 HydrophobicContact CB-CD1 4.04Å
596	K	96.7	Very high	94.9	Very high	61 Å²	61	29 Å²	29	27%	0.265	15%	0.153	S	C	.	.	H	α-helix	trans	-58	-48.2	173.1	-84.2	-156.7	-177.6	-175.9	0	112.1	Q592 L593 A598 N599 N600 L820 V823	Q592-K596 PolarHBondContact O-N 3.09Å; L593-K596 PolarHBondContact O-N 3.08Å; K596-A598 VanDerWaalsContact C-N 3.32Å; K596-A598 PolarHBondContact O-N 3.05Å; K596-N599 PolarHBondContact O-N 2.99Å; K596-N599 VanDerWaalsContact O-N 3.16Å; K596-N600 PolarHBondContact O-N 3.5Å; K596-N600 VanDerWaalsContact O-N 3.16Å; K596-L820 HydrophobicContact CD-CD1 3.8Å; K596-L820 HydrophobicContact CG-CD1 4.17Å; K596-L820 PolarHBondContact NZ-O 3.17Å; K596-V823 HydrophobicContact CB-CB 4.42Å; K596-V823 HydrophobicContact CB-CG1 4.04Å; K596-V823 HydrophobicContact CB-CG2 4.19Å; K596-V823 HydrophobicContact CD-CB 4.07Å; K596-V823 HydrophobicContact CD-CG2 3.87Å
597	I	97.3	Very high	95.2	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-59.7	-44.1	179.9	-66.9	169.4	0	0	0	110.3	V560 L593 Y594 N595 N599 N600 Y602 F604 F694 V823 F827	V560-I597 HydrophobicContact CG2-CG2 3.98Å; L593-I597 HydrophobicContact CD1-CD1 3.95Å; L593-I597 HydrophobicContact CD1-CG1 4.43Å; L593-I597 HydrophobicContact CG-CD1 3.96Å; L593-I597 WeakPolarHBondContact O-CG1 3.15Å; L593-I597 PolarHBondContact O-N 2.89Å; Y594-I597 HydrophobicContact CD1-CD1 4.34Å; Y594-I597 PolarHBondContact O-N 3.04Å; N595-I597 PolarHBondContact O-N 3.48Å; I597-N599 PolarHBondContact O-N 3.01Å; I597-N600 PolarHBondContact O-N 3.37Å; I597-N600 VanDerWaalsContact O-N 3.11Å; I597-Y602 HydrophobicContact CG2-CD2 4.06Å; I597-Y602 HydrophobicContact CG2-CG 4.28Å; I597-Y602 WeakPolarHBondContact O-CD2 3.46Å; I597-F604 HydrophobicContact CB-CE2 4.02Å; I597-F604 HydrophobicContact CB-CZ 3.94Å; I597-F604 HydrophobicContact CD1-CZ 4.45Å; I597-F604 HydrophobicContact CG2-CE2 3.73Å; I597-F604 HydrophobicContact CG2-CZ 3.75Å; I597-F694 HydrophobicContact CD1-CE2 4.35Å; I597-F694 HydrophobicContact CD1-CZ 4.18Å; I597-V823 HydrophobicContact CG1-CG1 3.74Å; I597-F827 HydrophobicContact CD1-CD1 4.39Å; I597-F827 HydrophobicContact CD1-CD2 3.9Å; I597-F827 HydrophobicContact CD1-CE1 4.31Å; I597-F827 HydrophobicContact CD1-CE2 3.83Å; I597-F827 HydrophobicContact CD1-CG 4.2Å; I597-F827 HydrophobicContact CD1-CZ 4.05Å; I597-F827 HydrophobicContact CG1-CB 4.27Å; I597-F827 HydrophobicContact CG1-CD1 4.36Å; I597-F827 HydrophobicContact CG1-CD2 3.96Å; I597-F827 HydrophobicContact CG1-CE2 4.41Å; I597-F827 HydrophobicContact CG1-CG 3.94Å; I597-F827 HydrophobicContact CG2-CB 4.48Å; I597-F827 HydrophobicContact CG2-CD1 3.89Å; I597-F827 HydrophobicContact CG2-CE1 4.36Å; I597-F827 HydrophobicContact CG2-CG 4.2Å
598	A	97.3	Very high	95.2	Very high	26 Å²	26	28.6 Å²	28.6	22%	0.215	15%	0.151	C	C	.	.	H	α-helix	trans	-64.9	-37.3	176.1	0	0	0	0	0	113.2	Y594 N595 K596 N600 G601 Y602 F604 P633	Y594-A598 WeakPolarHBondContact O-CB 3.41Å; Y594-A598 PolarHBondContact O-N 2.74Å; N595-A598 PolarHBondContact O-N 3.01Å; K596-A598 VanDerWaalsContact C-N 3.32Å; K596-A598 PolarHBondContact O-N 3.05Å; A598-N600 PolarHBondContact O-N 2.81Å; A598-G601 PolarHBondContact O-N 3.05Å; A598-Y602 WeakPolarHBondContact CA-O 3.03Å; A598-F604 HydrophobicContact CB-CD2 4.28Å; A598-F604 HydrophobicContact CB-CE2 4.14Å; A598-P633 HydrophobicContact CB-CB 3.53Å; A598-P633 HydrophobicContact CB-CG 3.94Å
599	N	96.4	Very high	94.9	Very high	102 Å²	102	25.3 Å²	25.3	55%	0.545	14%	0.143	S	C	.	.	H	α-helix	trans	-65.5	-16.8	174.5	-62.1	-25.7	0	0	0	113	N595 K596 I597 G601	N595-N599 WeakPolarHBondContact O-CB 3.35Å; N595-N599 PolarHBondContact O-N 2.73Å; N595-N599 PolarHBondContact O-ND2 3.47Å; N595-N599 VanDerWaalsContact O-ND2 3.08Å; N595-N599 PolarHBondContact O-OD1 3.09Å; N595-N599 PolarHBondContact OD1-ND2 3.11Å; K596-N599 PolarHBondContact O-N 2.99Å; K596-N599 VanDerWaalsContact O-N 3.16Å; I597-N599 PolarHBondContact O-N 3.01Å; N599-G601 VanDerWaalsContact C-N 3.29Å
600	N	96.6	Very high	94.4	Very high	10 Å²	10	23 Å²	23	5%	0.053	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.9	7.5	172.4	-68.7	6.9	0	0	0	113.2	K596 I597 A598 Y602 D824 F827 Q829 V830	K596-N600 PolarHBondContact O-N 3.5Å; K596-N600 VanDerWaalsContact O-N 3.16Å; I597-N600 PolarHBondContact O-N 3.37Å; I597-N600 VanDerWaalsContact O-N 3.11Å; A598-N600 PolarHBondContact O-N 2.81Å; N600-Y602 HydrophobicContact CB-CD2 4.21Å; N600-Y602 HydrophobicContact CB-CE2 4.13Å; N600-D824 PolarHBondContact ND2-OD1 3.47Å; N600-F827 PolarHBondContact ND2-O 2.8Å; N600-Q829 WeakPolarHBondContact O-CA 3.47Å; N600-Q829 PolarHBondContact OD1-NE2 2.97Å; N600-V830 WeakPolarHBondContact O-CG2 3.38Å; N600-V830 PolarHBondContact O-N 3.35Å
601	G	95.7	Very high	93.8	Very high	37 Å²	37	23.6 Å²	23.6	38%	0.381	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	103.3	-6.7	170.5	0	0	0	0	0	115.6	A598 N599	A598-G601 PolarHBondContact O-N 3.05Å; N599-G601 VanDerWaalsContact C-N 3.29Å
602	Y	97.3	Very high	93.3	Very high	4 Å²	4	23.6 Å²	23.6	2%	0.016	14%	0.136	C	C	.	.			trans	-78.3	138.6	-177.1	-58.8	-86.4	0	0	0	112.3	K558 V560 I597 A598 N600 I691 F827 P828 V830 R833	K558-Y602 HydrophobicContact CB-CD1 4.15Å; K558-Y602 HydrophobicContact CB-CE1 4.39Å; K558-Y602 WeakPolarHBondContact O-CA 3.32Å; V560-Y602 HydrophobicContact CG2-CD1 4.49Å; V560-Y602 HydrophobicContact CG2-CG 4.41Å; I597-Y602 HydrophobicContact CG2-CD2 4.06Å; I597-Y602 HydrophobicContact CG2-CG 4.28Å; I597-Y602 WeakPolarHBondContact O-CD2 3.46Å; A598-Y602 WeakPolarHBondContact CA-O 3.03Å; N600-Y602 HydrophobicContact CB-CD2 4.21Å; N600-Y602 HydrophobicContact CB-CE2 4.13Å; Y602-I691 HydrophobicContact CD1-CB 4.39Å; Y602-I691 HydrophobicContact CD1-CG1 4.32Å; Y602-I691 HydrophobicContact CE1-CB 4.17Å; Y602-I691 HydrophobicContact CE1-CG1 4.04Å; Y602-I691 HydrophobicContact CE1-CG2 3.88Å; Y602-F827 HydrophobicContact CD2-CB 4.4Å; Y602-F827 HydrophobicContact CE2-CB 3.89Å; Y602-F827 HydrophobicContact CE2-CD1 4.49Å; Y602-P828 WeakPolarHBondContact CE2-O 3.27Å; Y602-P828 PolarHBondContact OH-O 3.29Å; Y602-V830 HydrophobicContact CD1-CG2 3.78Å; Y602-V830 HydrophobicContact CD2-CG2 4.01Å; Y602-V830 HydrophobicContact CE1-CG2 3.63Å; Y602-V830 HydrophobicContact CE2-CG2 3.86Å; Y602-V830 HydrophobicContact CG-CG2 3.96Å; Y602-R833 PolarHBondContact OH-NE 3.05Å; Y602-R833 VanDerWaalsContact OH-NE 3.07Å
603	K	97.4	Very high	92.6	Very high	68 Å²	68	22.2 Å²	22.2	30%	0.296	13%	0.133	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	156.9	169.1	-50.1	-58.6	-177.3	-172.3	0	110.5	W553 D557 K558 I559 V560	W553-K603 HydrophobicContact CD2-CG 4.26Å; W553-K603 HydrophobicContact CH2-CB 3.91Å; W553-K603 HydrophobicContact CZ2-CB 3.77Å; W553-K603 HydrophobicContact CZ2-CG 4.2Å; W553-K603 HydrophobicContact CZ3-CB 4.4Å; D557-K603 HydrophobicContact CB-CG 3.98Å; D557-K603 WeakPolarHBondContact OD1-CE 3.42Å; D557-K603 IonicContact OD1-NZ 3.25Å; D557-K603 PolarHBondContact OD1-NZ 2.86Å; D557-K603 WeakPolarHBondContact OD2-CE 3.37Å; D557-K603 IonicContact OD2-NZ 3.68Å; K558-K603 PolarHBondContact O-N 3.21Å; I559-K603 CarbonylContact C-O 3.33Å; I559-K603 WeakPolarHBondContact CA-O 3.46Å; I559-K603 HydrophobicContact CG1-CB 4.39Å; V560-K603 PolarHBondContact N-O 2.89Å
604	F	98.2	Very high	91.9	Very high	0 Å²	0	23 Å²	23	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	141.5	172.5	-86.2	-99.9	0	0	0	112	V560 Y594 I597 A598 Y606 P633 P636	V560-F604 HydrophobicContact CB-CD1 4.34Å; V560-F604 HydrophobicContact CB-CE1 4.09Å; V560-F604 HydrophobicContact CB-CE2 4.48Å; V560-F604 HydrophobicContact CB-CZ 4.16Å; V560-F604 HydrophobicContact CG1-CD1 4.21Å; V560-F604 HydrophobicContact CG1-CE1 3.66Å; V560-F604 HydrophobicContact CG1-CZ 3.98Å; V560-F604 CarbonylContact O-C 3.52Å; V560-F604 WeakPolarHBondContact O-CA 3.44Å; Y594-F604 AromaticContact CD1-CE1 3.66Å; Y594-F604 HydrophobicContact CD1-CE1 3.66Å; Y594-F604 AromaticContact CD1-CZ 3.77Å; Y594-F604 HydrophobicContact CD1-CZ 3.77Å; Y594-F604 HydrophobicContact CD2-CD1 4.15Å; Y594-F604 AromaticContact CD2-CE1 3.62Å; Y594-F604 HydrophobicContact CD2-CE1 3.62Å; Y594-F604 HydrophobicContact CD2-CZ 4.29Å; Y594-F604 HydrophobicContact CE1-CE1 4.02Å; Y594-F604 HydrophobicContact CE1-CZ 4.47Å; Y594-F604 HydrophobicContact CE2-CD1 4.5Å; Y594-F604 AromaticContact CE2-CE1 3.99Å; Y594-F604 HydrophobicContact CE2-CE1 3.99Å; Y594-F604 HydrophobicContact CG-CD1 4.34Å; Y594-F604 AromaticContact CG-CE1 3.44Å; Y594-F604 HydrophobicContact CG-CE1 3.44Å; Y594-F604 VanDerWaalsContact CG-CE1 3.44Å; Y594-F604 AromaticContact CG-CZ 3.66Å; Y594-F604 HydrophobicContact CG-CZ 3.66Å; Y594-F604 WeakPolarHBondContact O-CE2 3.38Å; I597-F604 HydrophobicContact CB-CE2 4.02Å; I597-F604 HydrophobicContact CB-CZ 3.94Å; I597-F604 HydrophobicContact CD1-CZ 4.45Å; I597-F604 HydrophobicContact CG2-CE2 3.73Å; I597-F604 HydrophobicContact CG2-CZ 3.75Å; A598-F604 HydrophobicContact CB-CD2 4.28Å; A598-F604 HydrophobicContact CB-CE2 4.14Å; F604-Y606 HydrophobicContact CB-CE2 4.18Å; F604-Y606 HydrophobicContact CD1-CE1 4.2Å; F604-P633 HydrophobicContact CB-CG 4.26Å; F604-P633 HydrophobicContact CD1-CG 4.39Å; F604-P633 HydrophobicContact CD2-CB 4.24Å; F604-P633 HydrophobicContact CD2-CG 3.4Å; F604-P633 HydrophobicContact CE2-CG 3.77Å; F604-P633 HydrophobicContact CG-CG 3.75Å; F604-P633 HydrophobicContact CZ-CG 4.41Å; F604-P636 WeakPolarHBondContact O-CD 3.37Å
605	I	98.1	Very high	91.4	Very high	0 Å²	0	23 Å²	23	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	130.9	161.2	-67.5	-176	0	0	0	108.1	I30 W553 I559 V560 S562 P636 L638 V668 F690	I30-I605 HydrophobicContact CD1-CD1 3.59Å; I30-I605 HydrophobicContact CD1-CG1 4.12Å; W553-I605 HydrophobicContact CH2-CD1 4.4Å; W553-I605 HydrophobicContact CH2-CG1 3.76Å; W553-I605 HydrophobicContact CZ3-CD1 4.15Å; W553-I605 HydrophobicContact CZ3-CG1 4.01Å; I559-I605 HydrophobicContact CD1-CD1 4.3Å; I559-I605 HydrophobicContact CG2-CB 4.32Å; I559-I605 HydrophobicContact CG2-CD1 3.83Å; I559-I605 HydrophobicContact CG2-CG1 3.71Å; V560-I605 PolarHBondContact O-N 3.08Å; S562-I605 PolarHBondContact N-O 3.14Å; I605-P636 HydrophobicContact CG1-CG 4.04Å; I605-L638 HydrophobicContact CD1-CD1 4.37Å; I605-L638 HydrophobicContact CG2-CD1 3.55Å; I605-L638 HydrophobicContact CG2-CG 3.9Å; I605-V668 HydrophobicContact CD1-CG1 3.81Å; I605-V668 HydrophobicContact CD1-CG2 4.44Å; I605-F690 HydrophobicContact CD1-CE1 4.04Å
606	Y	97.1	Very high	90.8	Very high	5 Å²	5	28 Å²	28	2%	0.02	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	127.6	172	-63.4	-64.1	0	0	0	110.1	S562 I568 Y594 F604 L622 P633 P636 I637 L638	S562-Y606 CarbonylContact O-C 3.57Å; S562-Y606 WeakPolarHBondContact O-CA 3.45Å; I568-Y606 HydrophobicContact CD1-CD1 3.66Å; I568-Y606 HydrophobicContact CD1-CE1 3.64Å; Y594-Y606 HydrophobicContact CD2-CE1 4.34Å; Y594-Y606 HydrophobicContact CE2-CE1 4.36Å; F604-Y606 HydrophobicContact CB-CE2 4.18Å; F604-Y606 HydrophobicContact CD1-CE1 4.2Å; Y606-L622 HydrophobicContact CD1-CD1 4.11Å; Y606-L622 HydrophobicContact CD2-CD1 3.7Å; Y606-L622 HydrophobicContact CE2-CD1 4.36Å; Y606-L622 HydrophobicContact CG-CD1 3.56Å; Y606-P633 VanDerWaalsContact OH-CD 3.31Å; Y606-P633 WeakPolarHBondContact OH-CD 3.23Å; Y606-P633 WeakPolarHBondContact OH-CG 3.44Å; Y606-P633 PolarHBondContact OH-O 2.73Å; Y606-P636 PolarHBondContact N-O 3.46Å; Y606-I637 CarbonylContact O-C 3.57Å; Y606-I637 WeakPolarHBondContact O-CA 3.5Å; Y606-L638 PolarHBondContact O-N 3.42Å
607	L	92.9	Very high	90.2	Very high	1 Å²	1	27.3 Å²	27.3	1%	0.005	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	140.3	-173.7	-172.2	65.2	0	0	0	110.2	I561 S562 D563 I564 L638 K661 L665	I561-L607 HydrophobicContact CG2-CB 4.37Å; I561-L607 HydrophobicContact CG2-CD2 4.32Å; S562-L607 PolarHBondContact O-N 3.44Å; D563-L607 CarbonylContact C-O 3.54Å; D563-L607 VanDerWaalsContact CA-O 3.31Å; D563-L607 WeakPolarHBondContact CA-O 3.45Å; I564-L607 PolarHBondContact N-O 3.15Å; L607-L638 WeakPolarHBondContact CA-O 3.38Å; L607-L638 HydrophobicContact CD1-CB 3.89Å; L607-K661 HydrophobicContact CD1-CG 4.32Å; L607-K661 HydrophobicContact CD2-CB 4.18Å; L607-K661 HydrophobicContact CD2-CD 3.96Å; L607-K661 HydrophobicContact CD2-CG 3.77Å; L607-K661 HydrophobicContact CG-CD 4.4Å; L607-K661 HydrophobicContact CG-CG 4.04Å; L607-L665 HydrophobicContact CD2-CD1 3.78Å; L607-L665 HydrophobicContact CD2-CD2 4.45Å; L607-L665 HydrophobicContact CD2-CG 4.25Å
608	S	86.8	Confident	89.6	Confident	2 Å²	2	27.3 Å²	27.3	1%	0.014	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.3	150.1	170.9	169.8	0	0	0	0	111.5	D565 R610 L638 L639	D565-S608 WeakPolarHBondContact OD2-CB 3.47Å; D565-S608 PolarHBondContact OD2-OG 3.16Å; S608-R610 PolarHBondContact O-N 2.85Å; S608-R610 WeakPolarHBondContact OG-CB 3.43Å; S608-R610 WeakPolarHBondContact OG-CD 3.35Å; S608-R610 WeakPolarHBondContact OG-CG 3.28Å; S608-R610 PolarHBondContact OG-N 2.79Å; S608-L638 PolarHBondContact N-O 3.12Å; S608-L639 WeakPolarHBondContact O-CA 3.38Å
609	S	80.1	Confident	89.2	Confident	67 Å²	67	27.4 Å²	27.4	47%	0.469	15%	0.153	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75	-3.2	171.1	58.3	0	0	0	0	113.5	S640	S609-S640 WeakPolarHBondContact O-CB 3.39Å
610	R	80	Confident	88.7	Confident	10 Å²	10	26.6 Å²	26.6	4%	0.038	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.2	138.2	173.6	-73.1	170.5	-170.5	-144.9	2.4	110.7	D565 G575 S608 T618 L639 S640	D565-R610 IonicContact OD1-CZ 3.05Å; D565-R610 VanDerWaalsContact OD1-CZ 3.25Å; D565-R610 IonicContact OD1-NE 3.51Å; D565-R610 PolarHBondContact OD1-NE 3.01Å; D565-R610 IonicContact OD1-NH2 2.96Å; D565-R610 PolarHBondContact OD1-NH2 3.39Å; D565-R610 WeakPolarHBondContact OD2-CD 3.24Å; D565-R610 IonicContact OD2-CZ 2.76Å; D565-R610 IonicContact OD2-NE 3.35Å; D565-R610 PolarHBondContact OD2-NE 3.3Å; D565-R610 IonicContact OD2-NH2 3.65Å; G575-R610 PolarHBondContact O-NH2 3.08Å; S608-R610 PolarHBondContact O-N 2.85Å; S608-R610 WeakPolarHBondContact OG-CB 3.43Å; S608-R610 WeakPolarHBondContact OG-CD 3.35Å; S608-R610 WeakPolarHBondContact OG-CG 3.28Å; S608-R610 PolarHBondContact OG-N 2.79Å; R610-T618 VanDerWaalsContact CD-OG1 3.29Å; R610-T618 WeakPolarHBondContact CD-OG1 3.31Å; R610-T618 PolarHBondContact NH1-OG1 2.96Å; R610-L639 HydrophobicContact CB-CD2 4.09Å; R610-L639 WeakPolarHBondContact O-CB 3.19Å; R610-S640 PolarHBondContact O-N 3.12Å
611	P	80.9	Confident	88	Confident	15 Å²	15	26.9 Å²	26.9	10%	0.097	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	151.7	-178.7	28.3	-32	0	0	0	112.4	G613 Q614 S640 F642 V644	P611-G613 PolarHBondContact O-N 2.92Å; P611-Q614 HydrophobicContact CG-CG 4.46Å; P611-Q614 PolarHBondContact O-N 3.22Å; P611-S640 CarbonylContact C-O 3.6Å; P611-S640 WeakPolarHBondContact CA-O 3.45Å; P611-F642 WeakPolarHBondContact CB-O 3.3Å; P611-V644 HydrophobicContact CB-CG2 4.28Å; P611-V644 HydrophobicContact CG-CB 4.3Å; P611-V644 HydrophobicContact CG-CG1 4.23Å; P611-V644 HydrophobicContact CG-CG2 3.65Å
612	I	83.8	Confident	87.7	Confident	1 Å²	1	25.7 Å²	25.7	1%	0.005	13%	0.131	C	C	.	.	G	3₁₀ helix	trans	-43	-36.5	-178.2	-175.9	169.3	0	0	0	114.5	I27 Y45 R47 Q614 A615 S640 P641	I27-I612 HydrophobicContact CD1-CB 4.36Å; I27-I612 HydrophobicContact CD1-CD1 4.45Å; I27-I612 HydrophobicContact CD1-CG1 4.43Å; I27-I612 HydrophobicContact CG1-CB 4.26Å; I27-I612 HydrophobicContact CG1-CD1 3.98Å; I27-I612 HydrophobicContact CG1-CG1 3.86Å; Y45-I612 WeakPolarHBondContact O-CD1 3.3Å; R47-I612 HydrophobicContact CB-CD1 4Å; R47-I612 HydrophobicContact CB-CG2 4.45Å; I612-Q614 PolarHBondContact O-N 3.37Å; I612-Q614 VanDerWaalsContact O-N 3.12Å; I612-A615 WeakPolarHBondContact O-CB 3.39Å; I612-A615 PolarHBondContact O-N 2.97Å; I612-S640 PolarHBondContact N-O 2.88Å; I612-P641 VanDerWaalsContact CG2-O 3.27Å; I612-P641 WeakPolarHBondContact CG2-O 3.37Å
613	G	81	Confident	87.3	Confident	14 Å²	14	30.1 Å²	30.1	14%	0.144	15%	0.148	C	C	.	.	G	3₁₀ helix	trans	-55.5	-26.3	175.9	0	0	0	0	0	115.3	P611	P611-G613 PolarHBondContact O-N 2.92Å
614	Q	81.2	Confident	86.7	Confident	18 Å²	18	30.6 Å²	30.6	8%	0.084	16%	0.157	C	C	.	.	G	3₁₀ helix	trans	-94.1	6.6	178.5	-60.3	-166	-10	0	0	113.6	Y15 P611 I612 R616 A617 T618	Y15-Q614 PolarHBondContact OH-NE2 3.45Å; P611-Q614 HydrophobicContact CG-CG 4.46Å; P611-Q614 PolarHBondContact O-N 3.22Å; I612-Q614 PolarHBondContact O-N 3.37Å; I612-Q614 VanDerWaalsContact O-N 3.12Å; Q614-R616 PolarHBondContact O-N 2.95Å; Q614-A617 PolarHBondContact O-N 2.82Å; Q614-A617 VanDerWaalsContact O-N 3.15Å; Q614-T618 PolarHBondContact O-N 3.11Å; Q614-T618 PolarHBondContact O-OG1 3.17Å
615	A	87.4	Confident	86.1	Confident	0 Å²	0	31 Å²	31	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-56.6	-48.9	-174.9	0	0	0	0	0	112.7	A26 I612 A617 T618 R619 L639	A26-A615 VanDerWaalsContact O-CB 3.28Å; A26-A615 WeakPolarHBondContact O-CB 3.36Å; I612-A615 WeakPolarHBondContact O-CB 3.39Å; I612-A615 PolarHBondContact O-N 2.97Å; A615-A617 VanDerWaalsContact C-N 3.31Å; A615-A617 PolarHBondContact O-N 2.64Å; A615-T618 PolarHBondContact O-N 3.23Å; A615-R619 WeakPolarHBondContact O-CB 3.16Å; A615-R619 PolarHBondContact O-N 2.93Å; A615-L639 HydrophobicContact CB-CD1 3.59Å
616	R	85.3	Confident	85.7	Confident	147 Å²	147	34.8 Å²	34.8	56%	0.555	18%	0.177	S	C	*	.	H	α-helix	trans	-60.3	-38.1	177.9	-173.2	174.8	-177.3	160	1.9	112.6	Q614 K620	Q614-R616 PolarHBondContact O-N 2.95Å; R616-K620 WeakPolarHBondContact O-CB 3.42Å; R616-K620 PolarHBondContact O-N 3.16Å
617	A	82.4	Confident	85.3	Confident	47 Å²	47	36.1 Å²	36.1	39%	0.388	18%	0.183	S	C	.	.	H	α-helix	trans	-71.6	-44	179.6	0	0	0	0	0	111.9	Q614 A615 K620 L621	Q614-A617 PolarHBondContact O-N 2.82Å; Q614-A617 VanDerWaalsContact O-N 3.15Å; A615-A617 VanDerWaalsContact C-N 3.31Å; A615-A617 PolarHBondContact O-N 2.64Å; A617-K620 PolarHBondContact O-N 2.95Å; A617-L621 PolarHBondContact O-N 3.08Å
618	T	85.4	Confident	85.1	Confident	0 Å²	0	39 Å²	39	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-68.5	-38.1	178.8	-52.1	0	0	0	0	111.4	I564 R610 Q614 A615 L621 L622 I637	I564-T618 HydrophobicContact CD1-CG2 3.68Å; R610-T618 VanDerWaalsContact CD-OG1 3.29Å; R610-T618 WeakPolarHBondContact CD-OG1 3.31Å; R610-T618 PolarHBondContact NH1-OG1 2.96Å; Q614-T618 PolarHBondContact O-N 3.11Å; Q614-T618 PolarHBondContact O-OG1 3.17Å; A615-T618 PolarHBondContact O-N 3.23Å; T618-L621 WeakPolarHBondContact O-CB 3.44Å; T618-L621 PolarHBondContact O-N 3.09Å; T618-L622 PolarHBondContact O-N 2.83Å; T618-L622 VanDerWaalsContact O-N 3.08Å; T618-I637 HydrophobicContact CG2-CG2 4.25Å
619	R	89.2	Confident	85.4	Confident	28 Å²	28	46.3 Å²	46.3	11%	0.106	25%	0.252	C	S	.	.	H	α-helix	trans	-67.4	-37	173.6	-162.9	138.5	53.5	-122.2	2.3	112.5	A26 D28 A547 A615 Y623 I637	A26-R619 PolarHBondContact O-NH2 3Å; D28-R619 IonicContact OD1-CZ 2.68Å; D28-R619 IonicContact OD1-NE 3.31Å; D28-R619 PolarHBondContact OD1-NE 2.65Å; D28-R619 IonicContact OD1-NH1 3.73Å; D28-R619 PolarHBondContact OD1-NH1 3.39Å; D28-R619 IonicContact OD1-NH2 2.77Å; D28-R619 WeakPolarHBondContact OD2-CD 3.3Å; D28-R619 IonicContact OD2-CZ 3.62Å; D28-R619 IonicContact OD2-NE 2.69Å; D28-R619 IonicContact OD2-NH1 2.64Å; D28-R619 PolarHBondContact OD2-NH1 3.34Å; A547-R619 PolarHBondContact O-NH2 3.04Å; A615-R619 WeakPolarHBondContact O-CB 3.16Å; A615-R619 PolarHBondContact O-N 2.93Å; R619-Y623 WeakPolarHBondContact O-CB 3.49Å; R619-Y623 PolarHBondContact O-N 2.77Å; R619-I637 VanDerWaalsContact CA-CD1 3.43Å; R619-I637 HydrophobicContact CB-CD1 3.66Å; R619-I637 HydrophobicContact CG-CD1 3.8Å
620	K	85.4	Confident	86.1	Confident	84 Å²	84	47.2 Å²	47.2	37%	0.365	25%	0.246	S	C	.	.	H	α-helix	trans	-65.7	-42.6	170.3	-166.7	167.7	-168.7	141.5	0	111.6	E436 Y439 R616 A617 Y623 T624	E436-K620 IonicContact OE2-NZ 2.67Å; E436-K620 PolarHBondContact OE2-NZ 3.25Å; Y439-K620 HydrophobicContact CE2-CG 4.17Å; Y439-K620 WeakPolarHBondContact OH-CD 3.29Å; Y439-K620 WeakPolarHBondContact OH-CE 3.48Å; Y439-K620 PolarHBondContact OH-NZ 2.93Å; R616-K620 WeakPolarHBondContact O-CB 3.42Å; R616-K620 PolarHBondContact O-N 3.16Å; A617-K620 PolarHBondContact O-N 2.95Å; K620-Y623 PolarHBondContact O-N 3.13Å; K620-T624 WeakPolarHBondContact O-CG2 3.49Å; K620-T624 PolarHBondContact O-N 3Å; K620-T624 PolarHBondContact O-OG1 3.45Å; K620-T624 VanDerWaalsContact O-OG1 3.09Å
621	L	83.3	Confident	86.8	Confident	17 Å²	17	51.7 Å²	51.7	9%	0.089	26%	0.263	C	S	.	.	H	α-helix	trans	-55.1	-58.6	176.3	172.2	73	0	0	0	111.6	T569 G575 P579 A617 T618 Y623 T624 I625	T569-L621 HydrophobicContact CG2-CD2 4.42Å; G575-L621 VanDerWaalsContact O-CD2 3.3Å; G575-L621 WeakPolarHBondContact O-CD2 3.49Å; P579-L621 HydrophobicContact CG-CD1 3.96Å; A617-L621 PolarHBondContact O-N 3.08Å; T618-L621 WeakPolarHBondContact O-CB 3.44Å; T618-L621 PolarHBondContact O-N 3.09Å; L621-Y623 VanDerWaalsContact C-N 3.32Å; L621-Y623 PolarHBondContact O-N 3.28Å; L621-T624 PolarHBondContact O-N 2.95Å; L621-T624 PolarHBondContact O-OG1 3.32Å; L621-I625 HydrophobicContact CG-CD1 4.42Å; L621-I625 PolarHBondContact O-N 3.21Å
622	L	89.4	Confident	87.5	Confident	12 Å²	12	51.9 Å²	51.9	6%	0.063	26%	0.263	C	S	.	.	H	α-helix	trans	-59.4	-43.2	-176.7	-62.7	-170.5	0	0	0	111.9	I564 I568 Y606 T618 T624 I625 L632 I637	I564-L622 HydrophobicContact CD1-CD1 3.98Å; I564-L622 HydrophobicContact CD1-CD2 4.44Å; I564-L622 HydrophobicContact CD1-CG 4.49Å; I564-L622 HydrophobicContact CG1-CD1 4.4Å; I564-L622 HydrophobicContact CG1-CD2 4.39Å; I564-L622 HydrophobicContact CG2-CD2 4.09Å; I568-L622 HydrophobicContact CD1-CD2 4.25Å; Y606-L622 HydrophobicContact CD1-CD1 4.11Å; Y606-L622 HydrophobicContact CD2-CD1 3.7Å; Y606-L622 HydrophobicContact CE2-CD1 4.36Å; Y606-L622 HydrophobicContact CG-CD1 3.56Å; T618-L622 PolarHBondContact O-N 2.83Å; T618-L622 VanDerWaalsContact O-N 3.08Å; L622-T624 VanDerWaalsContact C-N 3.26Å; L622-T624 PolarHBondContact O-N 2.94Å; L622-I625 HydrophobicContact CD2-CD1 4.16Å; L622-I625 PolarHBondContact O-N 3.43Å; L622-I625 VanDerWaalsContact O-N 3.14Å; L622-L632 HydrophobicContact CB-CD1 4.21Å; L622-L632 HydrophobicContact CD2-CD1 3.88Å; L622-I637 HydrophobicContact CD1-CD1 3.71Å; L622-I637 HydrophobicContact CD1-CG1 4.03Å; L622-I637 HydrophobicContact CG-CD1 4.33Å
623	Y	87.3	Confident	88.1	Confident	96 Å²	96	52.8 Å²	52.8	38%	0.376	27%	0.269	S	S	.	.	H	α-helix	trans	-62.2	-30	176.7	178.9	-98.8	0	0	0	113.7	Y439 R619 K620 L621 R631	Y439-Y623 HydrophobicContact CD1-CE1 4.41Å; Y439-Y623 AromaticContact CD2-CD1 3.41Å; Y439-Y623 HydrophobicContact CD2-CD1 3.41Å; Y439-Y623 VanDerWaalsContact CD2-CD1 3.41Å; Y439-Y623 AromaticContact CD2-CE1 3.67Å; Y439-Y623 HydrophobicContact CD2-CE1 3.67Å; Y439-Y623 AromaticContact CD2-CG 3.93Å; Y439-Y623 HydrophobicContact CD2-CG 3.93Å; Y439-Y623 HydrophobicContact CE2-CD1 4.08Å; Y439-Y623 AromaticContact CG-CD1 3.88Å; Y439-Y623 HydrophobicContact CG-CD1 3.88Å; Y439-Y623 AromaticContact CG-CE1 3.6Å; Y439-Y623 HydrophobicContact CG-CE1 3.6Å; R619-Y623 WeakPolarHBondContact O-CB 3.49Å; R619-Y623 PolarHBondContact O-N 2.77Å; K620-Y623 PolarHBondContact O-N 3.13Å; L621-Y623 VanDerWaalsContact C-N 3.32Å; L621-Y623 PolarHBondContact O-N 3.28Å; Y623-R631 PolarHBondContact OH-NH1 3.03Å
624	T	85.1	Confident	88.8	Confident	79 Å²	79	56.1 Å²	56.1	49%	0.485	28%	0.284	S	S	.	.	H	α-helix	trans	-80.9	-12.2	176.3	53	0	0	0	0	114.8	K620 L621 L622 Q626	K620-T624 WeakPolarHBondContact O-CG2 3.49Å; K620-T624 PolarHBondContact O-N 3Å; K620-T624 PolarHBondContact O-OG1 3.45Å; K620-T624 VanDerWaalsContact O-OG1 3.09Å; L621-T624 PolarHBondContact O-N 2.95Å; L621-T624 PolarHBondContact O-OG1 3.32Å; L622-T624 VanDerWaalsContact C-N 3.26Å; L622-T624 PolarHBondContact O-N 2.94Å; T624-Q626 PolarHBondContact O-N 2.87Å
625	I	86.6	Confident	89.6	Confident	8 Å²	8	55.6 Å²	55.6	4%	0.041	28%	0.283	C	S	.	.			trans	-73.5	112.5	179.6	-68.9	168.2	0	0	0	109.9	I568 T586 L621 L622 L632	I568-I625 HydrophobicContact CG2-CD1 3.85Å; T586-I625 HydrophobicContact CG2-CD1 3.67Å; T586-I625 HydrophobicContact CG2-CG1 3.88Å; T586-I625 HydrophobicContact CG2-CG2 4.02Å; L621-I625 HydrophobicContact CG-CD1 4.42Å; L621-I625 PolarHBondContact O-N 3.21Å; L622-I625 HydrophobicContact CD2-CD1 4.16Å; L622-I625 PolarHBondContact O-N 3.43Å; L622-I625 VanDerWaalsContact O-N 3.14Å; I625-L632 HydrophobicContact CB-CD1 3.92Å; I625-L632 HydrophobicContact CB-CG 4.29Å; I625-L632 HydrophobicContact CD1-CD1 3.8Å; I625-L632 HydrophobicContact CG1-CD1 4.44Å; I625-L632 HydrophobicContact CG2-CD1 4.01Å; I625-L632 HydrophobicContact CG2-CG 4.01Å
626	Q	88.3	Confident	90	Very high	79 Å²	79	55.6 Å²	55.6	37%	0.369	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	125.3	175.8	-176.9	173	-33.8	0	0	110.1	T624 G628 Y630 R631	T624-Q626 PolarHBondContact O-N 2.87Å; Q626-G628 WeakPolarHBondContact CG-O 3.49Å; Q626-G628 PolarHBondContact NE2-O 3.22Å; Q626-Y630 CarbonylContact C-O 3.6Å; Q626-Y630 WeakPolarHBondContact CA-O 3.25Å; Q626-R631 HydrophobicContact CB-CG 3.95Å; Q626-R631 HydrophobicContact CG-CG 3.93Å
627	Q	89.5	Confident	90.5	Very high	33 Å²	33	48.8 Å²	48.8	15%	0.154	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	102.4	177.7	-63.3	-179.9	-27.6	0	0	108.7	T586 H587 H589 A591 N629 Y630	T586-Q627 PolarHBondContact OG1-NE2 3.38Å; H587-Q627 PolarHBondContact O-NE2 3.19Å; H589-Q627 VanDerWaalsContact CA-OE1 3.24Å; H589-Q627 VanDerWaalsContact N-OE1 3.16Å; A591-Q627 HydrophobicContact CB-CB 4.12Å; A591-Q627 HydrophobicContact CB-CG 4.1Å; A591-Q627 VanDerWaalsContact N-OE1 3.09Å; Q627-N629 PolarHBondContact O-N 2.84Å; Q627-Y630 PolarHBondContact N-O 3.15Å; Q627-Y630 PolarHBondContact O-N 2.96Å
628	G	89.2	Confident	91	Very high	62 Å²	62	46.7 Å²	46.7	64%	0.639	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.7	-115.9	-169	0	0	0	0	0	111.1	Q626	Q626-G628 WeakPolarHBondContact CG-O 3.49Å; Q626-G628 PolarHBondContact NE2-O 3.22Å
629	N	92.7	Very high	91.2	Very high	156 Å²	156	46.7 Å²	46.7	83%	0.834	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.6	-6.1	177.8	-66.3	-13.9	0	0	0	113.6	Q627	Q627-N629 PolarHBondContact O-N 2.84Å
630	Y	94.6	Very high	90.8	Very high	85 Å²	85	46.2 Å²	46.2	33%	0.333	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	139.5	-175.6	-58.6	-79.7	0	0	0	111.5	Q592 N595 Q626 Q627	Q592-Y630 HydrophobicContact CB-CD1 4.37Å; Q592-Y630 HydrophobicContact CB-CD2 3.7Å; Q592-Y630 HydrophobicContact CB-CE2 4.16Å; Q592-Y630 HydrophobicContact CB-CG 3.82Å; Q592-Y630 HydrophobicContact CG-CD1 4.07Å; Q592-Y630 HydrophobicContact CG-CD2 3.58Å; Q592-Y630 HydrophobicContact CG-CE1 3.99Å; Q592-Y630 HydrophobicContact CG-CE2 3.49Å; Q592-Y630 VanDerWaalsContact CG-CE2 3.49Å; Q592-Y630 HydrophobicContact CG-CG 3.87Å; Q592-Y630 PolarHBondContact NE2-OH 3.4Å; N595-Y630 HydrophobicContact CB-CD1 4.04Å; Q626-Y630 CarbonylContact C-O 3.6Å; Q626-Y630 WeakPolarHBondContact CA-O 3.25Å; Q627-Y630 PolarHBondContact N-O 3.15Å; Q627-Y630 PolarHBondContact O-N 2.96Å
631	R	94.6	Very high	90.2	Very high	105 Å²	105	42.5 Å²	42.5	40%	0.396	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	163.5	166.4	-67.6	-171.8	179.4	-173.9	-1.5	109.3	Y623 Q626	Y623-R631 PolarHBondContact OH-NH1 3.03Å; Q626-R631 HydrophobicContact CB-CG 3.95Å; Q626-R631 HydrophobicContact CG-CG 3.93Å
632	L	95.6	Very high	89.6	Confident	19 Å²	19	46.3 Å²	46.3	10%	0.099	24%	0.241	C	C	.	.	P	Polyproline II helix	trans	-57.3	141.7	165	-62.3	171.1	0	0	0	109.4	I568 A591 Y594 L622 I625	I568-L632 HydrophobicContact CD1-CD1 4.39Å; I568-L632 HydrophobicContact CG2-CD1 4.04Å; I568-L632 HydrophobicContact CG2-CD2 4.37Å; A591-L632 HydrophobicContact CB-CD2 4.45Å; Y594-L632 HydrophobicContact CD2-CD2 3.81Å; L622-L632 HydrophobicContact CB-CD1 4.21Å; L622-L632 HydrophobicContact CD2-CD1 3.88Å; I625-L632 HydrophobicContact CB-CD1 3.92Å; I625-L632 HydrophobicContact CB-CG 4.29Å; I625-L632 HydrophobicContact CD1-CD1 3.8Å; I625-L632 HydrophobicContact CG1-CD1 4.44Å; I625-L632 HydrophobicContact CG2-CD1 4.01Å; I625-L632 HydrophobicContact CG2-CG 4.01Å
633	P	97	Very high	88	Confident	19 Å²	19	46 Å²	46	12%	0.123	24%	0.24	C	C	.	.	P	Polyproline II helix	trans	-64.6	161.3	173	27.9	-34.4	0	0	0	111.8	A598 F604 Y606	A598-P633 HydrophobicContact CB-CB 3.53Å; A598-P633 HydrophobicContact CB-CG 3.94Å; F604-P633 HydrophobicContact CB-CG 4.26Å; F604-P633 HydrophobicContact CD1-CG 4.39Å; F604-P633 HydrophobicContact CD2-CB 4.24Å; F604-P633 HydrophobicContact CD2-CG 3.4Å; F604-P633 HydrophobicContact CE2-CG 3.77Å; F604-P633 HydrophobicContact CG-CG 3.75Å; F604-P633 HydrophobicContact CZ-CG 4.41Å; Y606-P633 VanDerWaalsContact OH-CD 3.31Å; Y606-P633 WeakPolarHBondContact OH-CD 3.23Å; Y606-P633 WeakPolarHBondContact OH-CG 3.44Å; Y606-P633 PolarHBondContact OH-O 2.73Å
634	D	95.2	Very high	86.2	Confident	85 Å²	85	42.9 Å²	42.9	46%	0.455	23%	0.231	S	C	.	.	P	Polyproline II helix	trans	-74.3	142.9	178.5	-166.2	47.8	0	0	0	111.2	Y551	Y551-D634 PolarHBondContact OH-OD1 2.98Å
635	G	97.2	Very high	84.3	Confident	6 Å²	6	44.1 Å²	44.1	6%	0.062	23%	0.234	C	C	.	.			trans	174.4	153	-176.4	0	0	0	0	0	114.8	Y551	Y551-G635 PolarHBondContact OH-N 2.96Å; Y551-G635 PolarHBondContact OH-O 2.87Å
636	P	97.6	Very high	82.4	Confident	0 Å²	0	49.5 Å²	49.5	0%	0	26%	0.259	C	S	.	.			trans	-62.2	141.5	-179.1	26.5	-37.5	0	0	0	112.7	D28 I30 Y551 W553 F604 I605 Y606	D28-P636 HydrophobicContact CB-CB 3.88Å; I30-P636 HydrophobicContact CD1-CB 4.22Å; I30-P636 HydrophobicContact CD1-CG 3.61Å; I30-P636 HydrophobicContact CG1-CB 3.95Å; I30-P636 HydrophobicContact CG1-CG 3.75Å; Y551-P636 HydrophobicContact CD2-CB 3.62Å; Y551-P636 HydrophobicContact CD2-CG 4.17Å; Y551-P636 HydrophobicContact CE2-CB 3.71Å; Y551-P636 HydrophobicContact CE2-CG 4.43Å; Y551-P636 HydrophobicContact CG-CB 4.36Å; Y551-P636 HydrophobicContact CG-CG 4.44Å; W553-P636 HydrophobicContact CH2-CG 3.65Å; W553-P636 VanDerWaalsContact CZ2-CD 3.46Å; W553-P636 HydrophobicContact CZ2-CG 3.99Å; W553-P636 HydrophobicContact CZ3-CG 4.44Å; F604-P636 WeakPolarHBondContact O-CD 3.37Å; I605-P636 HydrophobicContact CG1-CG 4.04Å; Y606-P636 PolarHBondContact N-O 3.46Å
637	I	95.2	Very high	80.2	Confident	4 Å²	4	47.4 Å²	47.4	2%	0.021	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	104.6	173.3	-48.4	-179.6	0	0	0	109	I27 D28 I564 Y606 T618 R619 L622 L639	I27-I637 WeakPolarHBondContact CG2-O 3.48Å; D28-I637 WeakPolarHBondContact OD2-CB 3.43Å; D28-I637 PolarHBondContact OD2-N 2.76Å; I564-I637 HydrophobicContact CD1-CG2 4.02Å; Y606-I637 CarbonylContact O-C 3.57Å; Y606-I637 WeakPolarHBondContact O-CA 3.5Å; T618-I637 HydrophobicContact CG2-CG2 4.25Å; R619-I637 VanDerWaalsContact CA-CD1 3.43Å; R619-I637 HydrophobicContact CB-CD1 3.66Å; R619-I637 HydrophobicContact CG-CD1 3.8Å; L622-I637 HydrophobicContact CD1-CD1 3.71Å; L622-I637 HydrophobicContact CD1-CG1 4.03Å; L622-I637 HydrophobicContact CG-CD1 4.33Å; I637-L639 HydrophobicContact CG2-CD1 4.3Å; I637-L639 HydrophobicContact CG2-CD2 3.84Å; I637-L639 HydrophobicContact CG2-CG 3.95Å
638	L	93	Very high	77.9	Confident	4 Å²	4	52.7 Å²	52.7	2%	0.021	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	129.5	174.7	-56.7	-177.6	0	0	0	109.4	I27 I30 I605 Y606 L607 S608 V668	I27-L638 HydrophobicContact CG2-CD2 4.4Å; I30-L638 HydrophobicContact CD1-CD1 4.48Å; I605-L638 HydrophobicContact CD1-CD1 4.37Å; I605-L638 HydrophobicContact CG2-CD1 3.55Å; I605-L638 HydrophobicContact CG2-CG 3.9Å; Y606-L638 PolarHBondContact O-N 3.42Å; L607-L638 WeakPolarHBondContact CA-O 3.38Å; L607-L638 HydrophobicContact CD1-CB 3.89Å; S608-L638 PolarHBondContact N-O 3.12Å; L638-V668 HydrophobicContact CD1-CG2 3.93Å
639	L	89.1	Confident	75.8	Confident	0 Å²	0	58.9 Å²	58.9	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	165	-167.8	-66.8	177.3	0	0	0	110.3	I27 S608 R610 A615 I637 P641 Y660	I27-L639 HydrophobicContact CD1-CB 3.98Å; I27-L639 VanDerWaalsContact CD1-O 3.29Å; I27-L639 WeakPolarHBondContact CD1-O 3.43Å; I27-L639 HydrophobicContact CG1-CB 4.22Å; S608-L639 WeakPolarHBondContact O-CA 3.38Å; R610-L639 HydrophobicContact CB-CD2 4.09Å; R610-L639 WeakPolarHBondContact O-CB 3.19Å; A615-L639 HydrophobicContact CB-CD1 3.59Å; I637-L639 HydrophobicContact CG2-CD1 4.3Å; I637-L639 HydrophobicContact CG2-CD2 3.84Å; I637-L639 HydrophobicContact CG2-CG 3.95Å; L639-P641 WeakPolarHBondContact O-CD 3.46Å; L639-Y660 WeakPolarHBondContact O-CE1 3.47Å; L639-Y660 PolarHBondContact O-OH 3.09Å
640	S	80.3	Confident	73.6	Confident	18 Å²	18	56.9 Å²	56.9	13%	0.126	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	123.4	169.8	179	0	0	0	0	109.8	S609 R610 P611 I612 F642	S609-S640 WeakPolarHBondContact O-CB 3.39Å; R610-S640 PolarHBondContact O-N 3.12Å; P611-S640 CarbonylContact C-O 3.6Å; P611-S640 WeakPolarHBondContact CA-O 3.45Å; I612-S640 PolarHBondContact N-O 2.88Å; S640-F642 PolarHBondContact O-N 2.75Å
641	P	73.8	Confident	71.1	Confident	6 Å²	6	59.4 Å²	59.4	4%	0.039	28%	0.28	C	S	.	.			trans	-72	-22	178.6	30.3	-36.2	0	0	0	111.5	I27 Y45 Y82 I612 L639 Y660	I27-P641 HydrophobicContact CD1-CB 4.13Å; Y45-P641 HydrophobicContact CD1-CB 3.45Å; Y45-P641 VanDerWaalsContact CD1-CB 3.45Å; Y45-P641 HydrophobicContact CD1-CG 4.34Å; Y45-P641 HydrophobicContact CD2-CB 4.18Å; Y45-P641 HydrophobicContact CE1-CB 3.66Å; Y45-P641 HydrophobicContact CE1-CG 4.05Å; Y45-P641 HydrophobicContact CE2-CB 4.35Å; Y45-P641 HydrophobicContact CG-CB 3.72Å; Y82-P641 WeakPolarHBondContact CE1-O 3.16Å; Y82-P641 PolarHBondContact OH-O 3.11Å; I612-P641 VanDerWaalsContact CG2-O 3.27Å; I612-P641 WeakPolarHBondContact CG2-O 3.37Å; L639-P641 WeakPolarHBondContact O-CD 3.46Å; P641-Y660 VanDerWaalsContact CD-CE1 3.49Å; P641-Y660 HydrophobicContact CG-CD2 4.38Å; P641-Y660 HydrophobicContact CG-CE2 3.76Å
642	F	69.9	Low	68.9	Low	97 Å²	97	57.4 Å²	57.4	43%	0.425	28%	0.279	S	S	.	.	S	Bend	trans	-69.2	148.6	-179.7	-53.2	-69.4	0	0	0	111.6	P611 S640 Y660	P611-F642 WeakPolarHBondContact CB-O 3.3Å; S640-F642 PolarHBondContact O-N 2.75Å; F642-Y660 HydrophobicContact CE2-CD2 4.16Å; F642-Y660 HydrophobicContact CE2-CG 4.48Å
643	S	55.9	Low	66.6	Low	6 Å²	6	58.8 Å²	58.8	4%	0.042	29%	0.286	C	S	.	.			trans	-87.8	153	-176.6	-66.1	0	0	0	0	111.5	R47 Y82 L645 E646 A647	R47-S643 WeakPolarHBondContact CD-OG 3.45Å; R47-S643 PolarHBondContact NE-OG 3.12Å; Y82-S643 PolarHBondContact OH-N 3.22Å; Y82-S643 PolarHBondContact OH-OG 3.17Å; S643-L645 PolarHBondContact O-N 2.93Å; S643-E646 PolarHBondContact N-OE2 3.44Å; S643-E646 PolarHBondContact O-N 2.99Å; S643-A647 PolarHBondContact O-N 2.98Å
644	V	50	Low	64.4	Low	29 Å²	29	60.6 Å²	60.6	18%	0.176	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-23.4	-174.8	-141.9	0	0	0	0	113.2	V20 L23 P611 A647 F648	V20-V644 HydrophobicContact CB-CB 4.44Å; V20-V644 HydrophobicContact CB-CG2 4.47Å; V20-V644 HydrophobicContact CG1-CB 3.53Å; V20-V644 HydrophobicContact CG1-CG2 3.68Å; V20-V644 HydrophobicContact CG2-CB 3.99Å; V20-V644 HydrophobicContact CG2-CG2 4.08Å; L23-V644 HydrophobicContact CD1-CG2 3.49Å; L23-V644 VanDerWaalsContact CD1-CG2 3.49Å; P611-V644 HydrophobicContact CB-CG2 4.28Å; P611-V644 HydrophobicContact CG-CB 4.3Å; P611-V644 HydrophobicContact CG-CG1 4.23Å; P611-V644 HydrophobicContact CG-CG2 3.65Å; V644-A647 HydrophobicContact CG1-CB 4.44Å; V644-A647 CarbonylContact O-C 3.57Å; V644-A647 VanDerWaalsContact O-CA 3.32Å; V644-A647 WeakPolarHBondContact O-CA 3.19Å; V644-A647 WeakPolarHBondContact O-CB 3.26Å; V644-A647 PolarHBondContact O-N 3.25Å; V644-A647 VanDerWaalsContact O-N 3.11Å; V644-F648 WeakPolarHBondContact O-CD2 3.17Å; V644-F648 WeakPolarHBondContact O-CE2 3.05Å
645	L	45.1	Very low	62.6	Low	105 Å²	105	62 Å²	62	55%	0.55	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-35.4	177.6	-95.5	162.5	0	0	0	113.2	V20 A21 S643	V20-L645 HydrophobicContact CB-CD1 4.23Å; V20-L645 HydrophobicContact CB-CG 4.09Å; V20-L645 HydrophobicContact CG1-CB 3.96Å; V20-L645 HydrophobicContact CG1-CD1 3.87Å; V20-L645 HydrophobicContact CG1-CG 3.56Å; A21-L645 HydrophobicContact CB-CD1 4.45Å; S643-L645 PolarHBondContact O-N 2.93Å
646	E	46	Very low	61	Low	121 Å²	121	69.2 Å²	69.2	57%	0.565	33%	0.331	S	S	*	.	G	3₁₀ helix	trans	-73.5	-22.9	169.5	-65.3	163.3	120.8	0	0	110	Y82 S643 F648	Y82-E646 PolarHBondContact OH-OE2 2.68Å; S643-E646 PolarHBondContact N-OE2 3.44Å; S643-E646 PolarHBondContact O-N 2.99Å; E646-F648 VanDerWaalsContact C-N 3.28Å; E646-F648 PolarHBondContact O-N 3.14Å; E646-F648 VanDerWaalsContact O-N 3.16Å
647	A	42.3	Very low	59.4	Low	35 Å²	35	70 Å²	70	29%	0.289	34%	0.337	S	S	.	.	G	3₁₀ helix	trans	-82.3	38.8	175.1	0	0	0	0	0	115.4	S643 V644 I653	S643-A647 PolarHBondContact O-N 2.98Å; V644-A647 HydrophobicContact CG1-CB 4.44Å; V644-A647 CarbonylContact O-C 3.57Å; V644-A647 VanDerWaalsContact O-CA 3.32Å; V644-A647 WeakPolarHBondContact O-CA 3.19Å; V644-A647 WeakPolarHBondContact O-CB 3.26Å; V644-A647 PolarHBondContact O-N 3.25Å; V644-A647 VanDerWaalsContact O-N 3.11Å; A647-I653 HydrophobicContact CB-CD1 3.95Å; A647-I653 HydrophobicContact CB-CG1 4.48Å; A647-I653 HydrophobicContact CB-CG2 4.48Å; A647-I653 WeakPolarHBondContact O-CD1 3.35Å
648	F	40.7	Very low	58.3	Low	144 Å²	144	71.7 Å²	71.7	63%	0.632	35%	0.346	S	S	*	.	G	3₁₀ helix	trans	-106.3	-0.8	172.7	-84.4	-87.2	0	0	0	117.7	V644 E646	V644-F648 WeakPolarHBondContact O-CD2 3.17Å; V644-F648 WeakPolarHBondContact O-CE2 3.05Å; E646-F648 VanDerWaalsContact C-N 3.28Å; E646-F648 PolarHBondContact O-N 3.14Å; E646-F648 VanDerWaalsContact O-N 3.16Å
649	R	46.4	Very low	57.6	Low	193 Å²	193	77 Å²	77	73%	0.728	37%	0.371	S	S	*	.			trans	-103.1	76.4	170.5	-70.3	-172	176.7	-177.4	0.5	112.8	E651 V652 I653	R649-E651 PolarHBondContact O-N 3.26Å; R649-E651 VanDerWaalsContact O-N 3.13Å; R649-V652 HydrophobicContact CB-CB 4.2Å; R649-V652 HydrophobicContact CB-CG2 4.23Å; R649-V652 WeakPolarHBondContact O-CA 3.32Å; R649-V652 WeakPolarHBondContact O-CB 3.18Å; R649-V652 PolarHBondContact O-N 2.84Å; R649-I653 VanDerWaalsContact N-CD1 3.28Å; R649-I653 WeakPolarHBondContact O-CD1 3.34Å; R649-I653 WeakPolarHBondContact O-CG1 3.5Å; R649-I653 PolarHBondContact O-N 3.27Å; R649-I653 VanDerWaalsContact O-N 3.08Å
650	K	45.5	Very low	57.1	Low	114 Å²	114	77.5 Å²	77.5	50%	0.496	37%	0.373	S	S	.	.	H	α-helix	trans	-46.9	-46.7	-163.8	-66.4	-157.5	177.6	-167.7	0	117.2	E205 V652 I653 A654	E205-K650 IonicContact OE1-NZ 3.8Å; E205-K650 PolarHBondContact OE1-NZ 2.79Å; E205-K650 IonicContact OE2-NZ 3.25Å; E205-K650 PolarHBondContact OE2-NZ 3.08Å; K650-V652 VanDerWaalsContact C-N 3.32Å; K650-V652 PolarHBondContact O-N 3.33Å; K650-I653 PolarHBondContact O-N 2.59Å; K650-I653 VanDerWaalsContact O-N 3.13Å; K650-A654 PolarHBondContact O-N 2.8Å
651	E	42.8	Very low	57.5	Low	138 Å²	138	77.2 Å²	77.2	65%	0.645	37%	0.369	S	S	*	.	H	α-helix	trans	-66	-36	-179.6	-163.5	-165.3	146.7	0	0	112.6	R649 I653 K655	R649-E651 PolarHBondContact O-N 3.26Å; R649-E651 VanDerWaalsContact O-N 3.13Å; E651-I653 VanDerWaalsContact C-N 3.29Å; E651-K655 PolarHBondContact O-N 2.78Å; E651-K655 IonicContact OE1-NZ 3.04Å; E651-K655 PolarHBondContact OE1-NZ 2.85Å
652	V	47.4	Very low	58.3	Low	62 Å²	62	78.4 Å²	78.4	38%	0.376	38%	0.375	S	S	.	.	H	α-helix	trans	-70	-31.2	174.8	-175.6	0	0	0	0	110.5	R649 K650 R656	R649-V652 HydrophobicContact CB-CB 4.2Å; R649-V652 HydrophobicContact CB-CG2 4.23Å; R649-V652 WeakPolarHBondContact O-CA 3.32Å; R649-V652 WeakPolarHBondContact O-CB 3.18Å; R649-V652 PolarHBondContact O-N 2.84Å; K650-V652 VanDerWaalsContact C-N 3.32Å; K650-V652 PolarHBondContact O-N 3.33Å; V652-R656 HydrophobicContact CG1-CG 4.47Å; V652-R656 VanDerWaalsContact O-CB 3.24Å; V652-R656 WeakPolarHBondContact O-CB 3.44Å; V652-R656 VanDerWaalsContact O-CG 3.28Å; V652-R656 WeakPolarHBondContact O-CG 3.4Å; V652-R656 PolarHBondContact O-N 2.92Å
653	I	49.2	Very low	59	Low	48 Å²	48	79.3 Å²	79.3	25%	0.246	38%	0.38	C	S	.	.	H	α-helix	trans	-79.6	-35.6	-179.3	-62.3	151.6	0	0	0	112.3	A647 R649 K650 E651 R656 A657	A647-I653 HydrophobicContact CB-CD1 3.95Å; A647-I653 HydrophobicContact CB-CG1 4.48Å; A647-I653 HydrophobicContact CB-CG2 4.48Å; A647-I653 WeakPolarHBondContact O-CD1 3.35Å; R649-I653 VanDerWaalsContact N-CD1 3.28Å; R649-I653 WeakPolarHBondContact O-CD1 3.34Å; R649-I653 WeakPolarHBondContact O-CG1 3.5Å; R649-I653 PolarHBondContact O-N 3.27Å; R649-I653 VanDerWaalsContact O-N 3.08Å; K650-I653 PolarHBondContact O-N 2.59Å; K650-I653 VanDerWaalsContact O-N 3.13Å; E651-I653 VanDerWaalsContact C-N 3.29Å; I653-R656 PolarHBondContact O-N 3.4Å; I653-A657 WeakPolarHBondContact O-CA 3.39Å; I653-A657 WeakPolarHBondContact O-CB 3.48Å; I653-A657 PolarHBondContact O-N 3.27Å
654	A	50.5	Low	60.7	Low	57 Å²	57	79.2 Å²	79.2	47%	0.471	38%	0.38	S	S	.	.	H	α-helix	trans	-57.5	-54.7	173	0	0	0	0	0	109.6	K650 R656 A657 D658	K650-A654 PolarHBondContact O-N 2.8Å; A654-R656 PolarHBondContact O-N 2.73Å; A654-A657 PolarHBondContact O-N 2.91Å; A654-A657 VanDerWaalsContact O-N 3.16Å; A654-D658 PolarHBondContact O-N 3.16Å; A654-D658 VanDerWaalsContact O-N 3.14Å
655	K	57	Low	62.7	Low	114 Å²	114	77.8 Å²	77.8	50%	0.496	37%	0.371	S	S	.	.	H	α-helix	trans	-56.4	-47.9	175.7	-67.5	170.6	178.1	162.9	0	111.9	E651 A657 D658 E659	E651-K655 PolarHBondContact O-N 2.78Å; E651-K655 IonicContact OE1-NZ 3.04Å; E651-K655 PolarHBondContact OE1-NZ 2.85Å; K655-A657 PolarHBondContact O-N 2.66Å; K655-D658 PolarHBondContact O-N 3.27Å; K655-E659 WeakPolarHBondContact O-CB 3.26Å; K655-E659 WeakPolarHBondContact O-CG 3.35Å; K655-E659 PolarHBondContact O-N 3.44Å
656	R	62.3	Low	64.9	Low	159 Å²	159	78.9 Å²	78.9	60%	0.6	37%	0.368	S	S	*	.	H	α-helix	trans	-68.8	-26.1	178	-77.8	-179.4	177.8	171	-4	115.3	V652 I653 A654 E659 Y660	V652-R656 HydrophobicContact CG1-CG 4.47Å; V652-R656 VanDerWaalsContact O-CB 3.24Å; V652-R656 WeakPolarHBondContact O-CB 3.44Å; V652-R656 VanDerWaalsContact O-CG 3.28Å; V652-R656 WeakPolarHBondContact O-CG 3.4Å; V652-R656 PolarHBondContact O-N 2.92Å; I653-R656 PolarHBondContact O-N 3.4Å; A654-R656 PolarHBondContact O-N 2.73Å; R656-E659 WeakPolarHBondContact CA-OE2 3.35Å; R656-E659 WeakPolarHBondContact CG-OE2 3.5Å; R656-Y660 WeakPolarHBondContact O-CB 3.37Å; R656-Y660 PolarHBondContact O-N 2.99Å
657	A	64.3	Low	67	Low	17 Å²	17	75 Å²	75	14%	0.14	35%	0.35	C	S	.	.	H	α-helix	trans	-73.1	-38.8	175.9	0	0	0	0	0	110.4	I653 A654 K655 K661	I653-A657 WeakPolarHBondContact O-CA 3.39Å; I653-A657 WeakPolarHBondContact O-CB 3.48Å; I653-A657 PolarHBondContact O-N 3.27Å; A654-A657 PolarHBondContact O-N 2.91Å; A654-A657 VanDerWaalsContact O-N 3.16Å; K655-A657 PolarHBondContact O-N 2.66Å; A657-K661 WeakPolarHBondContact O-CB 3.09Å; A657-K661 VanDerWaalsContact O-CG 3.32Å; A657-K661 WeakPolarHBondContact O-CG 3.37Å; A657-K661 PolarHBondContact O-N 3.1Å
658	D	72.7	Confident	69.4	Low	38 Å²	38	73.3 Å²	73.3	20%	0.203	34%	0.336	C	S	.	.	H	α-helix	trans	-70.1	-45.4	174	-55.2	-38.2	0	0	0	110.7	A654 K655 Y660 K661 I662 T699	A654-D658 PolarHBondContact O-N 3.16Å; A654-D658 VanDerWaalsContact O-N 3.14Å; K655-D658 PolarHBondContact O-N 3.27Å; D658-Y660 VanDerWaalsContact C-N 3.33Å; D658-Y660 PolarHBondContact O-N 3.28Å; D658-K661 PolarHBondContact O-N 2.75Å; D658-I662 WeakPolarHBondContact O-CG1 3.46Å; D658-I662 PolarHBondContact O-N 3.14Å; D658-T699 WeakPolarHBondContact OD1-CB 3.45Å; D658-T699 PolarHBondContact OD1-OG1 2.87Å; D658-T699 WeakPolarHBondContact OD2-CB 3.27Å; D658-T699 VanDerWaalsContact OD2-CG2 3.25Å; D658-T699 WeakPolarHBondContact OD2-CG2 3.38Å
659	E	77.4	Confident	71.8	Confident	115 Å²	115	67.7 Å²	67.7	54%	0.537	31%	0.314	S	S	.	.	H	α-helix	trans	-55.3	-45.6	171.7	-70.4	160.1	-173.4	0	0	111.5	K655 R656 I662 E663	K655-E659 WeakPolarHBondContact O-CB 3.26Å; K655-E659 WeakPolarHBondContact O-CG 3.35Å; K655-E659 PolarHBondContact O-N 3.44Å; R656-E659 WeakPolarHBondContact CA-OE2 3.35Å; R656-E659 WeakPolarHBondContact CG-OE2 3.5Å; E659-I662 PolarHBondContact O-N 2.92Å; E659-E663 PolarHBondContact O-N 2.8Å
660	Y	79.2	Confident	73.9	Confident	12 Å²	12	63.5 Å²	63.5	5%	0.047	31%	0.307	C	S	.	.	H	α-helix	trans	-70.5	-37.7	177.9	179.3	-97.3	0	0	0	113.1	L639 P641 F642 R656 D658 I662 E663 C664	L639-Y660 WeakPolarHBondContact O-CE1 3.47Å; L639-Y660 PolarHBondContact O-OH 3.09Å; P641-Y660 VanDerWaalsContact CD-CE1 3.49Å; P641-Y660 HydrophobicContact CG-CD2 4.38Å; P641-Y660 HydrophobicContact CG-CE2 3.76Å; F642-Y660 HydrophobicContact CE2-CD2 4.16Å; F642-Y660 HydrophobicContact CE2-CG 4.48Å; R656-Y660 WeakPolarHBondContact O-CB 3.37Å; R656-Y660 PolarHBondContact O-N 2.99Å; D658-Y660 VanDerWaalsContact C-N 3.33Å; D658-Y660 PolarHBondContact O-N 3.28Å; Y660-I662 PolarHBondContact O-N 3.42Å; Y660-E663 PolarHBondContact O-N 3.09Å; Y660-C664 HydrophobicContact CD1-CB 4.46Å; Y660-C664 HydrophobicContact CE1-CB 3.82Å; Y660-C664 HydrophobicContact CE2-CB 4.25Å; Y660-C664 WeakPolarHBondContact O-CB 3.34Å; Y660-C664 PolarHBondContact O-N 3.36Å; Y660-C664 PolarHBondContact OH-SG 2.86Å
661	K	88.7	Confident	76.1	Confident	11 Å²	11	58.2 Å²	58.2	5%	0.048	28%	0.284	C	S	.	.	H	α-helix	trans	-56.3	-43.7	172	-84.6	-176.6	163.8	179.6	0	110.3	D563 L607 A657 D658 L665 D700 T703	D563-K661 WeakPolarHBondContact OD1-CE 3.3Å; D563-K661 IonicContact OD1-NZ 2.85Å; D563-K661 PolarHBondContact OD1-NZ 3.23Å; L607-K661 HydrophobicContact CD1-CG 4.32Å; L607-K661 HydrophobicContact CD2-CB 4.18Å; L607-K661 HydrophobicContact CD2-CD 3.96Å; L607-K661 HydrophobicContact CD2-CG 3.77Å; L607-K661 HydrophobicContact CG-CD 4.4Å; L607-K661 HydrophobicContact CG-CG 4.04Å; A657-K661 WeakPolarHBondContact O-CB 3.09Å; A657-K661 VanDerWaalsContact O-CG 3.32Å; A657-K661 WeakPolarHBondContact O-CG 3.37Å; A657-K661 PolarHBondContact O-N 3.1Å; D658-K661 PolarHBondContact O-N 2.75Å; K661-L665 WeakPolarHBondContact O-CB 3.3Å; K661-L665 WeakPolarHBondContact O-CD1 3.5Å; K661-L665 VanDerWaalsContact O-CG 3.24Å; K661-L665 WeakPolarHBondContact O-CG 3.46Å; K661-L665 PolarHBondContact O-N 3.01Å; K661-L665 VanDerWaalsContact O-N 3.12Å; K661-D700 IonicContact NZ-OD1 2.93Å; K661-D700 PolarHBondContact NZ-OD1 2.95Å; K661-T703 HydrophobicContact CB-CG2 3.82Å
662	I	90.1	Very high	78.3	Confident	32 Å²	32	52.2 Å²	52.2	16%	0.164	26%	0.255	C	S	.	.	H	α-helix	trans	-65.3	-47.7	176.4	-65.9	165.2	0	0	0	111.2	D658 E659 Y660 L665 R666 T703 A706	D658-I662 WeakPolarHBondContact O-CG1 3.46Å; D658-I662 PolarHBondContact O-N 3.14Å; E659-I662 PolarHBondContact O-N 2.92Å; Y660-I662 PolarHBondContact O-N 3.42Å; I662-L665 PolarHBondContact O-N 2.92Å; I662-R666 VanDerWaalsContact CG2-CZ 3.44Å; I662-R666 WeakPolarHBondContact O-CB 3.39Å; I662-R666 VanDerWaalsContact O-CG 3.28Å; I662-R666 WeakPolarHBondContact O-CG 3.32Å; I662-R666 PolarHBondContact O-N 2.96Å; I662-T703 HydrophobicContact CG1-CG2 3.96Å; I662-A706 HydrophobicContact CD1-CB 3.78Å; I662-A706 HydrophobicContact CG1-CB 3.99Å; I662-A706 HydrophobicContact CG2-CB 4.07Å
663	E	86.3	Confident	79.6	Confident	115 Å²	115	52.5 Å²	52.5	54%	0.537	25%	0.254	S	S	.	.	H	α-helix	trans	-59.5	-49.8	178.8	-175.9	171.4	-138.4	0	0	111.8	E659 Y660 L665 R666 E667	E659-E663 PolarHBondContact O-N 2.8Å; Y660-E663 PolarHBondContact O-N 3.09Å; E663-L665 PolarHBondContact O-N 3.45Å; E663-R666 WeakPolarHBondContact O-CB 3.18Å; E663-R666 PolarHBondContact O-N 3.11Å; E663-R666 VanDerWaalsContact O-N 3.16Å; E663-E667 PolarHBondContact O-N 3.38Å
664	C	89.8	Confident	80.2	Confident	4 Å²	4	51.3 Å²	51.3	3%	0.027	25%	0.248	C	C	.	.	H	α-helix	trans	-61.3	-42.5	180	-169.5	0	0	0	0	112.5	Y660 E667 V668	Y660-C664 HydrophobicContact CD1-CB 4.46Å; Y660-C664 HydrophobicContact CE1-CB 3.82Å; Y660-C664 HydrophobicContact CE2-CB 4.25Å; Y660-C664 WeakPolarHBondContact O-CB 3.34Å; Y660-C664 PolarHBondContact O-N 3.36Å; Y660-C664 PolarHBondContact OH-SG 2.86Å; C664-E667 PolarHBondContact O-N 2.6Å; C664-V668 WeakPolarHBondContact O-CG2 3.42Å; C664-V668 PolarHBondContact O-N 3.36Å; C664-V668 VanDerWaalsContact O-N 3.13Å
665	L	93.4	Very high	80.3	Confident	0 Å²	0	52.5 Å²	52.5	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-71	-30.4	176.3	-67.4	170.9	0	0	0	112.5	I561 L607 K661 I662 E663 V668 C669 F690 T703 Y704 I707	I561-L665 HydrophobicContact CD1-CD1 4.09Å; I561-L665 HydrophobicContact CD1-CD2 3.86Å; I561-L665 HydrophobicContact CG1-CD2 4.08Å; I561-L665 HydrophobicContact CG2-CD2 4.22Å; L607-L665 HydrophobicContact CD2-CD1 3.78Å; L607-L665 HydrophobicContact CD2-CD2 4.45Å; L607-L665 HydrophobicContact CD2-CG 4.25Å; K661-L665 WeakPolarHBondContact O-CB 3.3Å; K661-L665 WeakPolarHBondContact O-CD1 3.5Å; K661-L665 VanDerWaalsContact O-CG 3.24Å; K661-L665 WeakPolarHBondContact O-CG 3.46Å; K661-L665 PolarHBondContact O-N 3.01Å; K661-L665 VanDerWaalsContact O-N 3.12Å; I662-L665 PolarHBondContact O-N 2.92Å; E663-L665 PolarHBondContact O-N 3.45Å; L665-V668 PolarHBondContact O-N 3.32Å; L665-C669 PolarHBondContact O-N 2.83Å; L665-F690 HydrophobicContact CB-CE2 4.25Å; L665-F690 HydrophobicContact CB-CZ 4.29Å; L665-F690 HydrophobicContact CD2-CE1 4.4Å; L665-F690 HydrophobicContact CD2-CZ 3.95Å; L665-F690 WeakPolarHBondContact O-CE2 3.25Å; L665-T703 HydrophobicContact CD1-CG2 3.68Å; L665-Y704 HydrophobicContact CD1-CD1 4.38Å; L665-Y704 HydrophobicContact CD1-CE1 4.23Å; L665-I707 HydrophobicContact CB-CD1 3.98Å; L665-I707 HydrophobicContact CB-CG2 3.96Å; L665-I707 HydrophobicContact CD1-CD1 3.76Å; L665-I707 HydrophobicContact CG-CD1 4.4Å
666	R	91.3	Very high	79.8	Confident	127 Å²	127	52.1 Å²	52.1	48%	0.479	25%	0.25	S	C	.	.	H	α-helix	trans	-69.2	-40.7	170.9	-74.5	174.1	179.5	173.4	-1.2	112.2	I662 E663 V668 C669 N670 A706 I707	I662-R666 VanDerWaalsContact CG2-CZ 3.44Å; I662-R666 WeakPolarHBondContact O-CB 3.39Å; I662-R666 VanDerWaalsContact O-CG 3.28Å; I662-R666 WeakPolarHBondContact O-CG 3.32Å; I662-R666 PolarHBondContact O-N 2.96Å; E663-R666 WeakPolarHBondContact O-CB 3.18Å; E663-R666 PolarHBondContact O-N 3.11Å; E663-R666 VanDerWaalsContact O-N 3.16Å; R666-V668 PolarHBondContact O-N 3.01Å; R666-C669 PolarHBondContact O-N 3.39Å; R666-N670 WeakPolarHBondContact O-CB 3.32Å; R666-N670 PolarHBondContact O-N 3.08Å; R666-N670 PolarHBondContact O-ND2 3.2Å; R666-N670 PolarHBondContact O-OD1 2.87Å; R666-A706 PolarHBondContact NE-O 3.03Å; R666-A706 PolarHBondContact NH2-O 3.25Å; R666-I707 HydrophobicContact CG-CG2 4.02Å
667	E	89.8	Confident	79	Confident	39 Å²	39	50.1 Å²	50.1	18%	0.182	25%	0.247	C	C	.	.	H	α-helix	trans	-57.2	-36.4	171	-72.9	-159.1	118.9	0	0	111.8	P43 R514 E663 C664 L671	P43-E667 WeakPolarHBondContact CD-OE2 3.37Å; P43-E667 VanDerWaalsContact CG-OE1 3.3Å; P43-E667 WeakPolarHBondContact CG-OE1 3.39Å; P43-E667 WeakPolarHBondContact CG-OE2 3.46Å; R514-E667 IonicContact CZ-OE1 2.88Å; R514-E667 IonicContact NE-OE1 2.73Å; R514-E667 VanDerWaalsContact NH2-CD 3.32Å; R514-E667 IonicContact NH2-OE1 2.78Å; R514-E667 PolarHBondContact NH2-OE1 3.14Å; R514-E667 IonicContact NH2-OE2 2.65Å; E663-E667 PolarHBondContact O-N 3.38Å; C664-E667 PolarHBondContact O-N 2.6Å; E667-L671 WeakPolarHBondContact O-CD2 2.99Å; E667-L671 WeakPolarHBondContact O-CG 3.42Å
668	V	93.6	Very high	77.8	Confident	0 Å²	0	55.7 Å²	55.7	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-70	-47.8	174.4	172.5	0	0	0	0	112	I30 T42 I559 I605 L638 C664 L665 R666 N670 L671 F672 F690	I30-V668 HydrophobicContact CD1-CG1 4.28Å; I30-V668 HydrophobicContact CD1-CG2 3.92Å; T42-V668 HydrophobicContact CG2-CG2 3.68Å; I559-V668 HydrophobicContact CD1-CG1 4.38Å; I605-V668 HydrophobicContact CD1-CG1 3.81Å; I605-V668 HydrophobicContact CD1-CG2 4.44Å; L638-V668 HydrophobicContact CD1-CG2 3.93Å; C664-V668 WeakPolarHBondContact O-CG2 3.42Å; C664-V668 PolarHBondContact O-N 3.36Å; C664-V668 VanDerWaalsContact O-N 3.13Å; L665-V668 PolarHBondContact O-N 3.32Å; R666-V668 PolarHBondContact O-N 3.01Å; V668-N670 PolarHBondContact O-N 3.23Å; V668-L671 PolarHBondContact O-N 3.03Å; V668-F672 HydrophobicContact CG1-CE2 4.25Å; V668-F672 VanDerWaalsContact O-CD2 3.31Å; V668-F672 WeakPolarHBondContact O-CD2 3.36Å; V668-F690 HydrophobicContact CB-CZ 4Å; V668-F690 HydrophobicContact CG1-CE1 3.94Å; V668-F690 HydrophobicContact CG1-CZ 3.68Å
669	C	91	Very high	76.2	Confident	26 Å²	26	63.2 Å²	63.2	18%	0.176	31%	0.308	C	S	.	.	H	α-helix	trans	-50.8	-47.1	173.7	-90.7	0	0	0	0	111.7	L665 R666 L671 F672 F690	L665-C669 PolarHBondContact O-N 2.83Å; R666-C669 PolarHBondContact O-N 3.39Å; C669-L671 PolarHBondContact O-N 2.95Å; C669-F672 PolarHBondContact O-N 3.42Å; C669-F690 HydrophobicContact CB-CE2 4.49Å; C669-F690 VanDerWaalsContact SG-CD2 3.53Å; C669-F690 WeakPolarHBondContact SG-CE2 3.32Å
670	N	89.6	Confident	74.4	Confident	106 Å²	106	66.2 Å²	66.2	57%	0.567	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.5	-9.6	-174.3	-67.5	-9.2	0	0	0	114.4	Q40 R666 V668 I673	Q40-N670 PolarHBondContact OE1-O 3.23Å; R666-N670 WeakPolarHBondContact O-CB 3.32Å; R666-N670 PolarHBondContact O-N 3.08Å; R666-N670 PolarHBondContact O-ND2 3.2Å; R666-N670 PolarHBondContact O-OD1 2.87Å; V668-N670 PolarHBondContact O-N 3.23Å; N670-I673 VanDerWaalsContact O-CG1 3.26Å; N670-I673 WeakPolarHBondContact O-CG1 3.28Å
671	L	92.2	Very high	72.6	Confident	3 Å²	3	72 Å²	72	2%	0.016	35%	0.354	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-32.4	172.4	-48.4	-173	0	0	0	111.8	I30 V32 N34 Q40 S41 T42 E667 V668 C669 I673	I30-L671 HydrophobicContact CB-CD1 4.43Å; I30-L671 HydrophobicContact CG2-CD1 4.39Å; V32-L671 HydrophobicContact CB-CB 4.01Å; V32-L671 HydrophobicContact CG2-CB 3.52Å; V32-L671 HydrophobicContact CG2-CD1 3.91Å; V32-L671 HydrophobicContact CG2-CG 4.37Å; N34-L671 PolarHBondContact ND2-O 3.16Å; N34-L671 PolarHBondContact OD1-O 2.94Å; Q40-L671 HydrophobicContact CB-CB 4.49Å; Q40-L671 HydrophobicContact CB-CD2 3.99Å; S41-L671 WeakPolarHBondContact O-CD2 3.46Å; T42-L671 HydrophobicContact CG2-CD1 4.08Å; E667-L671 WeakPolarHBondContact O-CD2 2.99Å; E667-L671 WeakPolarHBondContact O-CG 3.42Å; V668-L671 PolarHBondContact O-N 3.03Å; C669-L671 PolarHBondContact O-N 2.95Å; L671-I673 PolarHBondContact O-N 3.28Å
672	F	89.7	Confident	70.5	Confident	12 Å²	12	80.6 Å²	80.6	5%	0.053	39%	0.394	C	S	.	.	S	Bend	trans	-85.4	51.3	-174.6	-66.8	-97.5	0	0	0	111.5	V32 W553 W555 D557 I559 V668 C669 D674 P689	V32-F672 HydrophobicContact CG1-CD1 4.11Å; V32-F672 HydrophobicContact CG1-CE1 4.01Å; V32-F672 HydrophobicContact CG1-CZ 4.32Å; V32-F672 HydrophobicContact CG2-CD2 4.04Å; V32-F672 HydrophobicContact CG2-CE1 4.08Å; V32-F672 HydrophobicContact CG2-CE2 3.53Å; V32-F672 HydrophobicContact CG2-CG 4.5Å; V32-F672 HydrophobicContact CG2-CZ 3.54Å; W553-F672 HydrophobicContact CE3-CZ 4.24Å; W555-F672 WeakPolarHBondContact O-CD1 3.37Å; D557-F672 HydrophobicContact CB-CE1 4.49Å; I559-F672 HydrophobicContact CD1-CE2 3.82Å; I559-F672 HydrophobicContact CD1-CZ 3.7Å; V668-F672 HydrophobicContact CG1-CE2 4.25Å; V668-F672 VanDerWaalsContact O-CD2 3.31Å; V668-F672 WeakPolarHBondContact O-CD2 3.36Å; C669-F672 PolarHBondContact O-N 3.42Å; F672-D674 PolarHBondContact O-N 3.04Å; F672-P689 HydrophobicContact CB-CB 4.17Å; F672-P689 HydrophobicContact CB-CG 4.07Å; F672-P689 HydrophobicContact CD1-CB 3.88Å; F672-P689 HydrophobicContact CD2-CB 3.91Å; F672-P689 HydrophobicContact CD2-CG 3.72Å; F672-P689 HydrophobicContact CE1-CB 4.25Å; F672-P689 HydrophobicContact CE2-CB 4.27Å; F672-P689 HydrophobicContact CE2-CG 4.31Å; F672-P689 HydrophobicContact CG-CB 3.72Å; F672-P689 HydrophobicContact CG-CG 3.85Å; F672-P689 HydrophobicContact CZ-CB 4.44Å
673	I	73	Confident	68.4	Low	68 Å²	68	84.4 Å²	84.4	35%	0.349	42%	0.415	S	S	.	.			trans	-69.7	125.9	177.1	-50	-174.1	0	0	0	109.4	N670 L671	N670-I673 VanDerWaalsContact O-CG1 3.26Å; N670-I673 WeakPolarHBondContact O-CG1 3.28Å; L671-I673 PolarHBondContact O-N 3.28Å
674	D	62.3	Low	66.7	Low	22 Å²	22	86.8 Å²	86.8	12%	0.118	43%	0.426	C	S	.	.			trans	-103.2	127.1	164	-165.1	-32.8	0	0	0	108.6	K35 F672 N676 H677 N687	K35-D674 WeakPolarHBondContact CE-OD2 3.46Å; K35-D674 IonicContact NZ-OD1 2.71Å; K35-D674 PolarHBondContact NZ-OD1 3.16Å; K35-D674 IonicContact NZ-OD2 2.62Å; K35-D674 PolarHBondContact NZ-OD2 3.41Å; F672-D674 PolarHBondContact O-N 3.04Å; D674-N676 PolarHBondContact O-N 3.2Å; D674-N676 PolarHBondContact OD1-N 3.17Å; D674-N676 PolarHBondContact OD1-ND2 3Å; D674-H677 PolarHBondContact O-CD2 3.26Å; D674-H677 VanDerWaalsContact O-CD2 3.31Å; D674-H677 PolarHBondContact O-N 3.41Å; D674-N687 WeakPolarHBondContact CB-OD1 3.31Å
675	D	52.3	Low	64.9	Low	82 Å²	82	92.7 Å²	92.7	44%	0.439	45%	0.453	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-0.3	-170.8	-44.7	-74.6	0	0	0	113.6	H677	D675-H677 PolarHBondContact O-N 3.4Å
676	N	47.1	Very low	63.1	Low	106 Å²	106	98.5 Å²	98.5	57%	0.567	48%	0.484	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.5	5.7	171.6	-73.3	-69.1	0	0	0	114.8	D674 N678	D674-N676 PolarHBondContact O-N 3.2Å; D674-N676 PolarHBondContact OD1-N 3.17Å; D674-N676 PolarHBondContact OD1-ND2 3Å; N676-N678 PolarHBondContact O-N 2.98Å
677	H	46.2	Very low	61.9	Low	118 Å²	118	95.1 Å²	95.1	55%	0.546	48%	0.476	S	S	.	.			trans	-70.7	52.6	172.8	-83	-71.3	0	0	0	114.3	D674 D675 N687	D674-H677 PolarHBondContact O-CD2 3.26Å; D674-H677 VanDerWaalsContact O-CD2 3.31Å; D674-H677 PolarHBondContact O-N 3.41Å; D675-H677 PolarHBondContact O-N 3.4Å; H677-N687 PolarHBondContact NE2-ND2 2.69Å; H677-N687 VanDerWaalsContact NE2-ND2 3.18Å
678	N	37.2	Very low	61.6	Low	134 Å²	134	94.9 Å²	94.9	72%	0.717	48%	0.476	S	S	*	.			trans	-77.8	131.4	147.7	-77.9	-68.8	0	0	0	108	N676 Q680	N676-N678 PolarHBondContact O-N 2.98Å; N678-Q680 PolarHBondContact O-N 2.6Å
679	H	40.7	Very low	61.5	Low	195 Å²	195	95.1 Å²	95.1	90%	0.903	48%	0.477	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70	48.7	-169.8	-74.7	-78.5	0	0	0	115.7
680	Q	39.6	Very low	61.7	Low	178 Å²	178	94 Å²	94	83%	0.832	47%	0.469	S	S	*	.	T	Hydrogen-bonded Turn	trans	-140.9	-0.4	-174.1	-67.4	-168.2	-20.2	0	0	116.7	N678	N678-Q680 PolarHBondContact O-N 2.6Å
681	N	40	Very low	61.9	Low	133 Å²	133	89.8 Å²	89.8	71%	0.711	45%	0.446	S	S	*	.			trans	-98.1	119.5	171.5	-71.4	-22.4	0	0	0	109.9	N683	N681-N683 VanDerWaalsContact C-N 3.27Å; N681-N683 PolarHBondContact O-N 2.92Å
682	E	44.6	Very low	62.1	Low	192 Å²	192	89.7 Å²	89.7	90%	0.897	45%	0.446	S	S	*	.			trans	-78	-2.7	-169.1	-59.1	-174.5	140.3	0	0	114.9
683	N	47.8	Very low	62.4	Low	112 Å²	112	89.1 Å²	89.1	60%	0.599	44%	0.443	S	S	*	.			trans	-99.1	80.9	-178.2	-69.6	14.6	0	0	0	111.9	N681 E685 D686	N681-N683 VanDerWaalsContact C-N 3.27Å; N681-N683 PolarHBondContact O-N 2.92Å; N683-E685 PolarHBondContact O-N 3.28Å; N683-D686 PolarHBondContact ND2-OD2 2.72Å
684	E	49.8	Very low	63.5	Low	166 Å²	166	86 Å²	86	78%	0.776	43%	0.428	S	S	*	.	G	3₁₀ helix	trans	-66	-22.8	172.7	-67.6	-171	134.7	0	0	113	D686	E684-D686 PolarHBondContact O-N 2.67Å
685	E	52	Low	65	Low	128 Å²	128	85.1 Å²	85.1	60%	0.598	42%	0.423	S	S	*	.	G	3₁₀ helix	trans	-63.2	-35.7	-175	-59.8	-168.2	133.2	0	0	114	N683 N687 N710	N683-E685 PolarHBondContact O-N 3.28Å; E685-N687 VanDerWaalsContact C-N 3.29Å; E685-N687 PolarHBondContact O-N 2.89Å; E685-N710 PolarHBondContact OE1-ND2 2.72Å
686	D	55.7	Low	66.8	Low	121 Å²	121	82.7 Å²	82.7	65%	0.647	41%	0.41	S	S	*	.	G	3₁₀ helix	trans	-69	-26.1	-173.4	-76.7	-53.4	0	0	0	113.2	N683 E684	N683-D686 PolarHBondContact ND2-OD2 2.72Å; E684-D686 PolarHBondContact O-N 2.67Å
687	N	65.3	Low	68.6	Low	56 Å²	56	80.7 Å²	80.7	30%	0.299	40%	0.395	S	S	.	.	G	3₁₀ helix	trans	-88.1	-8.2	-171.6	-144.6	23.2	0	0	0	113.9	D674 H677 E685	D674-N687 WeakPolarHBondContact CB-OD1 3.31Å; H677-N687 PolarHBondContact NE2-ND2 2.69Å; H677-N687 VanDerWaalsContact NE2-ND2 3.18Å; E685-N687 VanDerWaalsContact C-N 3.29Å; E685-N687 PolarHBondContact O-N 2.89Å
688	I	83.6	Confident	70.5	Confident	35 Å²	35	79.8 Å²	79.8	18%	0.179	40%	0.399	C	S	.	.			trans	-71.4	132	-178.6	-60.5	173.5	0	0	0	109.9	K558 F690	K558-I688 PolarHBondContact NZ-O 2.97Å; I688-F690 VanDerWaalsContact C-N 3.33Å; I688-F690 HydrophobicContact CG2-CB 3.98Å; I688-F690 HydrophobicContact CG2-CD2 4.16Å; I688-F690 HydrophobicContact CG2-CG 4.45Å
689	P	92.7	Very high	72.9	Confident	5 Å²	5	75.7 Å²	75.7	3%	0.032	38%	0.379	C	S	.	.	S	Bend	trans	-75.1	-23.4	178.6	30.5	-36.4	0	0	0	112.8	K558 I559 F672	K558-P689 WeakPolarHBondContact CA-O 3.42Å; I559-P689 HydrophobicContact CD1-CB 4.08Å; I559-P689 PolarHBondContact N-O 3.07Å; F672-P689 HydrophobicContact CB-CB 4.17Å; F672-P689 HydrophobicContact CB-CG 4.07Å; F672-P689 HydrophobicContact CD1-CB 3.88Å; F672-P689 HydrophobicContact CD2-CB 3.91Å; F672-P689 HydrophobicContact CD2-CG 3.72Å; F672-P689 HydrophobicContact CE1-CB 4.25Å; F672-P689 HydrophobicContact CE2-CB 4.27Å; F672-P689 HydrophobicContact CE2-CG 4.31Å; F672-P689 HydrophobicContact CG-CB 3.72Å; F672-P689 HydrophobicContact CG-CG 3.85Å; F672-P689 HydrophobicContact CZ-CB 4.44Å
690	F	94.7	Very high	75.3	Confident	2 Å²	2	66.4 Å²	66.4	1%	0.009	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	130.6	178.4	-55.1	-52.3	0	0	0	112.4	I559 I561 I605 L665 V668 C669 I688 I707 L709	I559-F690 HydrophobicContact CB-CD1 3.82Å; I559-F690 HydrophobicContact CB-CE1 4.27Å; I559-F690 HydrophobicContact CD1-CD1 4.36Å; I559-F690 HydrophobicContact CD1-CE1 4.12Å; I559-F690 HydrophobicContact CG2-CD1 3.73Å; I559-F690 HydrophobicContact CG2-CE1 3.91Å; I559-F690 CarbonylContact O-C 3.42Å; I559-F690 WeakPolarHBondContact O-CA 3.33Å; I561-F690 HydrophobicContact CD1-CB 4.25Å; I561-F690 HydrophobicContact CD1-CD1 3.57Å; I561-F690 HydrophobicContact CD1-CD2 4.06Å; I561-F690 HydrophobicContact CD1-CE1 3.84Å; I561-F690 HydrophobicContact CD1-CE2 4.25Å; I561-F690 HydrophobicContact CD1-CG 3.7Å; I561-F690 HydrophobicContact CD1-CZ 4.16Å; I561-F690 HydrophobicContact CG1-CD1 3.65Å; I561-F690 HydrophobicContact CG1-CE1 3.83Å; I561-F690 HydrophobicContact CG1-CG 4.28Å; I605-F690 HydrophobicContact CD1-CE1 4.04Å; L665-F690 HydrophobicContact CB-CE2 4.25Å; L665-F690 HydrophobicContact CB-CZ 4.29Å; L665-F690 HydrophobicContact CD2-CE1 4.4Å; L665-F690 HydrophobicContact CD2-CZ 3.95Å; L665-F690 WeakPolarHBondContact O-CE2 3.25Å; V668-F690 HydrophobicContact CB-CZ 4Å; V668-F690 HydrophobicContact CG1-CE1 3.94Å; V668-F690 HydrophobicContact CG1-CZ 3.68Å; C669-F690 HydrophobicContact CB-CE2 4.49Å; C669-F690 VanDerWaalsContact SG-CD2 3.53Å; C669-F690 WeakPolarHBondContact SG-CE2 3.32Å; I688-F690 VanDerWaalsContact C-N 3.33Å; I688-F690 HydrophobicContact CG2-CB 3.98Å; I688-F690 HydrophobicContact CG2-CD2 4.16Å; I688-F690 HydrophobicContact CG2-CG 4.45Å; F690-I707 HydrophobicContact CD2-CD1 3.71Å; F690-I707 HydrophobicContact CD2-CG1 4.41Å; F690-I707 HydrophobicContact CE2-CD1 3.83Å; F690-I707 HydrophobicContact CG-CD1 4.49Å; F690-L709 HydrophobicContact CB-CD1 4.32Å; F690-L709 HydrophobicContact CB-CD2 3.87Å; F690-L709 HydrophobicContact CB-CG 4.26Å; F690-L709 WeakPolarHBondContact O-CD2 3.18Å
691	I	94.3	Very high	77.8	Confident	17 Å²	17	58.4 Å²	58.4	9%	0.087	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	-28	-180	-59.9	-56.7	0	0	0	112.3	K558 I559 Y602 Q713	K558-I691 HydrophobicContact CB-CD1 4.38Å; K558-I691 HydrophobicContact CB-CG1 3.74Å; K558-I691 HydrophobicContact CD-CD1 3.99Å; K558-I691 HydrophobicContact CD-CG1 4.23Å; K558-I691 HydrophobicContact CG-CD1 4.28Å; K558-I691 HydrophobicContact CG-CG1 4.18Å; I559-I691 PolarHBondContact O-N 3.25Å; Y602-I691 HydrophobicContact CD1-CB 4.39Å; Y602-I691 HydrophobicContact CD1-CG1 4.32Å; Y602-I691 HydrophobicContact CE1-CB 4.17Å; Y602-I691 HydrophobicContact CE1-CG1 4.04Å; Y602-I691 HydrophobicContact CE1-CG2 3.88Å; I691-Q713 WeakPolarHBondContact O-CB 3.5Å; I691-Q713 PolarHBondContact O-NE2 3.4Å
692	A	95.8	Very high	80.2	Confident	1 Å²	1	54.7 Å²	54.7	1%	0.008	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.6	157.9	173.9	0	0	0	0	0	112.7	V560 I561 Q713 Y715 F827	V560-A692 HydrophobicContact CG1-CB 4.37Å; V560-A692 HydrophobicContact CG2-CB 4.35Å; I561-A692 PolarHBondContact N-O 3.3Å; A692-Q713 CarbonylContact C-O 3.58Å; A692-Q713 WeakPolarHBondContact CA-O 3.28Å; A692-Q713 WeakPolarHBondContact CB-O 3.27Å; A692-Y715 HydrophobicContact CB-CD2 4.17Å; A692-Y715 HydrophobicContact CB-CE2 3.9Å; A692-F827 HydrophobicContact CB-CE1 3.58Å; A692-F827 HydrophobicContact CB-CZ 3.8Å
693	G	96.6	Very high	82.5	Confident	0 Å²	0	45.6 Å²	45.6	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	125.1	171.7	0	0	0	0	0	111.7	I561 Q713 Y715	I561-G693 WeakPolarHBondContact O-CA 3.49Å; G693-Q713 PolarHBondContact N-O 3.49Å; G693-Y715 PolarHBondContact O-N 3.46Å
694	F	96.2	Very high	84.7	Confident	4 Å²	4	40.3 Å²	40.3	2%	0.018	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	124.5	173.3	-72	-96.3	0	0	0	110.3	V560 I561 S562 D563 T567 L593 Y594 I597 Y704 Y715 L819 F827	V560-F694 HydrophobicContact CG1-CD2 3.69Å; V560-F694 HydrophobicContact CG1-CE2 3.69Å; I561-F694 PolarHBondContact O-N 3.44Å; S562-F694 WeakPolarHBondContact CA-O 3.24Å; D563-F694 PolarHBondContact N-O 2.94Å; T567-F694 HydrophobicContact CG2-CB 4.18Å; L593-F694 HydrophobicContact CD2-CE1 4.21Å; L593-F694 HydrophobicContact CD2-CZ 4.43Å; Y594-F694 HydrophobicContact CE1-CD1 4.14Å; Y594-F694 HydrophobicContact CE1-CD2 4.04Å; Y594-F694 HydrophobicContact CE1-CE1 4.15Å; Y594-F694 HydrophobicContact CE1-CE2 4.05Å; Y594-F694 HydrophobicContact CE1-CG 4.09Å; Y594-F694 HydrophobicContact CE1-CZ 4.11Å; Y594-F694 WeakPolarHBondContact OH-CB 3.36Å; Y594-F694 VanDerWaalsContact OH-CG 3.27Å; Y594-F694 WeakPolarHBondContact OH-CG 3.33Å; I597-F694 HydrophobicContact CD1-CE2 4.35Å; I597-F694 HydrophobicContact CD1-CZ 4.18Å; F694-Y704 PolarHBondContact O-OH 2.79Å; F694-Y715 WeakPolarHBondContact CA-O 3.05Å; F694-Y715 HydrophobicContact CD1-CG 4.25Å; F694-Y715 HydrophobicContact CE1-CD1 4.37Å; F694-Y715 HydrophobicContact CE1-CD2 4.31Å; F694-Y715 AromaticContact CE1-CG 3.87Å; F694-Y715 HydrophobicContact CE1-CG 3.87Å; F694-Y715 HydrophobicContact CE2-CD2 4.29Å; F694-Y715 HydrophobicContact CZ-CD2 4.1Å; F694-Y715 HydrophobicContact CZ-CG 4.08Å; F694-L819 HydrophobicContact CE1-CD2 3.86Å; F694-L819 HydrophobicContact CZ-CD2 4.11Å; F694-F827 AromaticContact CE2-CZ 3.92Å; F694-F827 HydrophobicContact CE2-CZ 3.92Å; F694-F827 HydrophobicContact CZ-CE2 4.31Å; F694-F827 AromaticContact CZ-CZ 3.95Å; F694-F827 HydrophobicContact CZ-CZ 3.95Å
695	G	93.3	Very high	86.7	Confident	2 Å²	2	36 Å²	36	2%	0.021	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	-174.4	177.9	0	0	0	0	0	112.3	T567 Y715 T716 V717	T567-G695 VanDerWaalsContact OG1-C 3.31Å; T567-G695 WeakPolarHBondContact OG1-CA 3.38Å; G695-Y715 PolarHBondContact N-O 3.01Å; G695-T716 CarbonylContact O-C 3.45Å; G695-T716 VanDerWaalsContact O-CA 3.31Å; G695-T716 WeakPolarHBondContact O-CA 3.49Å; G695-V717 PolarHBondContact O-N 3.28Å
696	N	89.2	Confident	88.6	Confident	32 Å²	32	31.5 Å²	31.5	17%	0.171	18%	0.18	C	C	.	.	S	Bend	trans	-134.3	-12.5	-178.6	68.4	-17.4	0	0	0	113.9	D565 G566 T567 D700 V717	D565-N696 PolarHBondContact O-ND2 2.62Å; G566-N696 WeakPolarHBondContact CA-ND2 3.27Å; G566-N696 VanDerWaalsContact O-CB 3.27Å; G566-N696 WeakPolarHBondContact O-CB 3.38Å; G566-N696 PolarHBondContact O-ND2 2.81Å; T567-N696 WeakPolarHBondContact OG1-CB 3.39Å; T567-N696 PolarHBondContact OG1-N 2.94Å; N696-D700 PolarHBondContact N-OD2 2.88Å; N696-D700 PolarHBondContact OD1-OD2 2.89Å; N696-V717 HydrophobicContact CB-CG1 4.29Å
697	R	85.3	Confident	90.3	Very high	64 Å²	64	26.4 Å²	26.4	24%	0.242	15%	0.152	C	C	.	.	S	Bend	trans	-115.2	150.3	-176.4	-72.3	167.7	-178.9	-62	-10.9	111	D572 T699 D700 I701	D572-R697 IonicContact OD1-CZ 2.72Å; D572-R697 IonicContact OD1-NH2 3.08Å; D572-R697 PolarHBondContact OD1-NH2 3.07Å; D572-R697 IonicContact OD2-CZ 2.64Å; D572-R697 VanDerWaalsContact OD2-CZ 3.3Å; D572-R697 IonicContact OD2-NE 2.62Å; D572-R697 PolarHBondContact OD2-NE 2.78Å; D572-R697 IonicContact OD2-NH2 2.7Å; D572-R697 PolarHBondContact OD2-NH2 3.36Å; R697-T699 PolarHBondContact O-N 3.48Å; R697-D700 PolarHBondContact N-OD2 2.85Å; R697-D700 WeakPolarHBondContact O-CB 3.48Å; R697-D700 PolarHBondContact O-N 3.38Å; R697-I701 PolarHBondContact O-N 2.92Å
698	P	87.1	Confident	91.5	Very high	99 Å²	99	25.4 Å²	25.4	64%	0.643	16%	0.155	S	C	*	.	H	α-helix	trans	-56	-22.1	170.7	-26	35.3	0	0	0	113.7	I701 A702	P698-I701 PolarHBondContact O-N 2.85Å; P698-A702 PolarHBondContact O-N 2.96Å
699	T	87.1	Confident	92	Very high	47 Å²	47	23.9 Å²	23.9	29%	0.288	15%	0.147	S	C	.	.	H	α-helix	trans	-76.2	-26.1	175.7	65.7	0	0	0	0	113.1	D658 R697 T703	D658-T699 WeakPolarHBondContact OD1-CB 3.45Å; D658-T699 PolarHBondContact OD1-OG1 2.87Å; D658-T699 WeakPolarHBondContact OD2-CB 3.27Å; D658-T699 VanDerWaalsContact OD2-CG2 3.25Å; D658-T699 WeakPolarHBondContact OD2-CG2 3.38Å; R697-T699 PolarHBondContact O-N 3.48Å; T699-T703 WeakPolarHBondContact O-CB 3.46Å; T699-T703 PolarHBondContact O-N 2.93Å; T699-T703 PolarHBondContact O-OG1 2.69Å
700	D	90.9	Very high	91.9	Very high	1 Å²	1	26.5 Å²	26.5	1%	0.005	16%	0.161	C	C	.	.	H	α-helix	trans	-69.5	-42.6	167.8	-54.7	-49	0	0	0	110.5	K661 N696 R697 A702 T703 Y704	K661-D700 IonicContact NZ-OD1 2.93Å; K661-D700 PolarHBondContact NZ-OD1 2.95Å; N696-D700 PolarHBondContact N-OD2 2.88Å; N696-D700 PolarHBondContact OD1-OD2 2.89Å; R697-D700 PolarHBondContact N-OD2 2.85Å; R697-D700 WeakPolarHBondContact O-CB 3.48Å; R697-D700 PolarHBondContact O-N 3.38Å; D700-A702 VanDerWaalsContact C-N 3.33Å; D700-A702 PolarHBondContact O-N 3.12Å; D700-T703 WeakPolarHBondContact O-CA 2.93Å; D700-T703 WeakPolarHBondContact O-CB 3.47Å; D700-T703 PolarHBondContact O-N 3.27Å; D700-T703 VanDerWaalsContact O-N 3.13Å; D700-Y704 HydrophobicContact CB-CD2 4.4Å; D700-Y704 HydrophobicContact CB-CE2 3.85Å; D700-Y704 WeakPolarHBondContact O-CB 3.39Å; D700-Y704 WeakPolarHBondContact O-CD2 3.48Å; D700-Y704 PolarHBondContact O-N 3.29Å
701	I	91.1	Very high	91.6	Very high	9 Å²	9	29.6 Å²	29.6	5%	0.046	18%	0.178	C	C	.	.	H	α-helix	trans	-58.4	-47.3	175.1	-53.4	176.8	0	0	0	109.9	R697 P698 T703 Y704 K705 I714 T716 D727	R697-I701 PolarHBondContact O-N 2.92Å; P698-I701 PolarHBondContact O-N 2.85Å; I701-T703 VanDerWaalsContact C-N 3.35Å; I701-T703 PolarHBondContact O-N 3.25Å; I701-Y704 PolarHBondContact O-N 3.12Å; I701-K705 HydrophobicContact CG2-CD 4.35Å; I701-K705 WeakPolarHBondContact O-CG 3.28Å; I701-K705 PolarHBondContact O-N 3.25Å; I701-I714 HydrophobicContact CG1-CG2 4.19Å; I701-I714 HydrophobicContact CG2-CD1 4.41Å; I701-I714 HydrophobicContact CG2-CG2 4.32Å; I701-T716 HydrophobicContact CD1-CG2 4.36Å; I701-T716 WeakPolarHBondContact CD1-OG1 3.35Å; I701-D727 HydrophobicContact CG2-CB 3.89Å
702	A	91.2	Very high	91.3	Very high	55 Å²	55	34.9 Å²	34.9	46%	0.455	20%	0.202	S	C	.	.	H	α-helix	trans	-62	-40.4	175	0	0	0	0	0	112.4	P698 D700 A706	P698-A702 PolarHBondContact O-N 2.96Å; D700-A702 VanDerWaalsContact C-N 3.33Å; D700-A702 PolarHBondContact O-N 3.12Å; A702-A706 VanDerWaalsContact O-CB 3.24Å; A702-A706 WeakPolarHBondContact O-CB 3.47Å; A702-A706 PolarHBondContact O-N 3.45Å
703	T	92.3	Very high	91.2	Very high	1 Å²	1	36.2 Å²	36.2	1%	0.006	21%	0.208	C	C	.	.	H	α-helix	trans	-59.1	-50	175	-65.6	0	0	0	0	111.3	K661 I662 L665 T699 D700 I701 A706 I707	K661-T703 HydrophobicContact CB-CG2 3.82Å; I662-T703 HydrophobicContact CG1-CG2 3.96Å; L665-T703 HydrophobicContact CD1-CG2 3.68Å; T699-T703 WeakPolarHBondContact O-CB 3.46Å; T699-T703 PolarHBondContact O-N 2.93Å; T699-T703 PolarHBondContact O-OG1 2.69Å; D700-T703 WeakPolarHBondContact O-CA 2.93Å; D700-T703 WeakPolarHBondContact O-CB 3.47Å; D700-T703 PolarHBondContact O-N 3.27Å; D700-T703 VanDerWaalsContact O-N 3.13Å; I701-T703 VanDerWaalsContact C-N 3.35Å; I701-T703 PolarHBondContact O-N 3.25Å; T703-A706 PolarHBondContact O-N 3.11Å; T703-I707 PolarHBondContact O-N 2.86Å
704	Y	94.3	Very high	91	Very high	2 Å²	2	36.3 Å²	36.3	1%	0.008	21%	0.208	C	C	.	.	H	α-helix	trans	-69.2	-37.7	-177.1	-60.4	-30.8	0	0	0	112.2	I561 L665 F694 D700 I701 A706 I707 G708 L709 I714	I561-Y704 HydrophobicContact CB-CE1 4.2Å; I561-Y704 HydrophobicContact CD1-CD1 4.24Å; I561-Y704 HydrophobicContact CD1-CE1 4.24Å; I561-Y704 HydrophobicContact CG2-CE1 3.76Å; L665-Y704 HydrophobicContact CD1-CD1 4.38Å; L665-Y704 HydrophobicContact CD1-CE1 4.23Å; F694-Y704 PolarHBondContact O-OH 2.79Å; D700-Y704 HydrophobicContact CB-CD2 4.4Å; D700-Y704 HydrophobicContact CB-CE2 3.85Å; D700-Y704 WeakPolarHBondContact O-CB 3.39Å; D700-Y704 WeakPolarHBondContact O-CD2 3.48Å; D700-Y704 PolarHBondContact O-N 3.29Å; I701-Y704 PolarHBondContact O-N 3.12Å; Y704-A706 VanDerWaalsContact C-N 3.34Å; Y704-A706 PolarHBondContact O-N 2.81Å; Y704-I707 HydrophobicContact CD1-CD1 4.29Å; Y704-I707 WeakPolarHBondContact O-CG1 3.45Å; Y704-I707 PolarHBondContact O-N 3.24Å; Y704-G708 PolarHBondContact O-N 2.92Å; Y704-L709 HydrophobicContact CD1-CD1 4.38Å; Y704-L709 HydrophobicContact CG-CD1 4.24Å; Y704-L709 WeakPolarHBondContact O-CB 3.32Å; Y704-L709 PolarHBondContact O-N 3.49Å; Y704-I714 HydrophobicContact CD2-CG1 4.38Å; Y704-I714 HydrophobicContact CD2-CG2 4.19Å
705	K	93	Very high	90.9	Very high	75 Å²	75	36.4 Å²	36.4	33%	0.326	21%	0.209	S	C	.	.	H	α-helix	trans	-63.2	-38.8	170	-70.5	-175.9	178.4	-169.1	0	112.2	I701 I707 G708 D711 I714 D727	I701-K705 HydrophobicContact CG2-CD 4.35Å; I701-K705 WeakPolarHBondContact O-CG 3.28Å; I701-K705 PolarHBondContact O-N 3.25Å; K705-I707 PolarHBondContact O-N 2.71Å; K705-I707 VanDerWaalsContact O-N 3.16Å; K705-G708 PolarHBondContact O-N 3.05Å; K705-G708 VanDerWaalsContact O-N 3.11Å; K705-D711 WeakPolarHBondContact CE-OD1 3.49Å; K705-D711 VanDerWaalsContact NZ-CG 3.26Å; K705-D711 IonicContact NZ-OD1 2.65Å; K705-D711 PolarHBondContact NZ-OD1 3.49Å; K705-D711 IonicContact NZ-OD2 3.9Å; K705-D711 PolarHBondContact NZ-OD2 3.24Å; K705-I714 HydrophobicContact CG-CD1 3.7Å; K705-D727 IonicContact NZ-OD2 2.71Å; K705-D727 PolarHBondContact NZ-OD2 2.85Å
706	A	91.7	Very high	90.8	Very high	34 Å²	34	37.2 Å²	37.2	28%	0.281	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71	-4.3	179.9	0	0	0	0	0	115.1	I662 R666 A702 T703 Y704	I662-A706 HydrophobicContact CD1-CB 3.78Å; I662-A706 HydrophobicContact CG1-CB 3.99Å; I662-A706 HydrophobicContact CG2-CB 4.07Å; R666-A706 PolarHBondContact NE-O 3.03Å; R666-A706 PolarHBondContact NH2-O 3.25Å; A702-A706 VanDerWaalsContact O-CB 3.24Å; A702-A706 WeakPolarHBondContact O-CB 3.47Å; A702-A706 PolarHBondContact O-N 3.45Å; T703-A706 PolarHBondContact O-N 3.11Å; Y704-A706 VanDerWaalsContact C-N 3.34Å; Y704-A706 PolarHBondContact O-N 2.81Å
707	I	91.7	Very high	90.8	Very high	13 Å²	13	36.2 Å²	36.2	7%	0.067	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.9	10.7	171.6	65.1	177.6	0	0	0	113.2	I561 L665 R666 F690 T703 Y704 K705 L709	I561-I707 HydrophobicContact CD1-CD1 3.64Å; L665-I707 HydrophobicContact CB-CD1 3.98Å; L665-I707 HydrophobicContact CB-CG2 3.96Å; L665-I707 HydrophobicContact CD1-CD1 3.76Å; L665-I707 HydrophobicContact CG-CD1 4.4Å; R666-I707 HydrophobicContact CG-CG2 4.02Å; F690-I707 HydrophobicContact CD2-CD1 3.71Å; F690-I707 HydrophobicContact CD2-CG1 4.41Å; F690-I707 HydrophobicContact CE2-CD1 3.83Å; F690-I707 HydrophobicContact CG-CD1 4.49Å; T703-I707 PolarHBondContact O-N 2.86Å; Y704-I707 HydrophobicContact CD1-CD1 4.29Å; Y704-I707 WeakPolarHBondContact O-CG1 3.45Å; Y704-I707 PolarHBondContact O-N 3.24Å; K705-I707 PolarHBondContact O-N 2.71Å; K705-I707 VanDerWaalsContact O-N 3.16Å; I707-L709 HydrophobicContact CD1-CD1 4.37Å
708	G	90.4	Very high	90.8	Very high	35 Å²	35	34.9 Å²	34.9	36%	0.361	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	88.3	13.4	174.7	0	0	0	0	0	116.2	Y704 K705	Y704-G708 PolarHBondContact O-N 2.92Å; K705-G708 PolarHBondContact O-N 3.05Å; K705-G708 VanDerWaalsContact O-N 3.11Å
709	L	92.3	Very high	90.5	Very high	4 Å²	4	35.4 Å²	35.4	2%	0.021	20%	0.196	C	C	.	.			trans	-77.8	124.7	168.8	-70.1	174.6	0	0	0	110.6	I561 F690 Y704 I707 Q713 I714	I561-L709 HydrophobicContact CD1-CD1 4.24Å; F690-L709 HydrophobicContact CB-CD1 4.32Å; F690-L709 HydrophobicContact CB-CD2 3.87Å; F690-L709 HydrophobicContact CB-CG 4.26Å; F690-L709 WeakPolarHBondContact O-CD2 3.18Å; Y704-L709 HydrophobicContact CD1-CD1 4.38Å; Y704-L709 HydrophobicContact CG-CD1 4.24Å; Y704-L709 WeakPolarHBondContact O-CB 3.32Å; Y704-L709 PolarHBondContact O-N 3.49Å; I707-L709 HydrophobicContact CD1-CD1 4.37Å; L709-Q713 HydrophobicContact CB-CB 4.38Å; L709-Q713 HydrophobicContact CD2-CB 4.06Å; L709-I714 HydrophobicContact CB-CD1 4.44Å; L709-I714 HydrophobicContact CB-CG1 4.21Å
710	N	91.1	Very high	90	Very high	60 Å²	60	38.8 Å²	38.8	32%	0.321	21%	0.211	S	C	.	.			trans	-71.2	159.9	174.1	-83.7	-64.1	0	0	0	112.1	E685 H712 Q713	E685-N710 PolarHBondContact OE1-ND2 2.72Å; N710-H712 VanDerWaalsContact C-N 3.27Å; N710-H712 PolarHBondContact O-N 3.23Å; N710-H712 VanDerWaalsContact O-N 3.16Å; N710-Q713 HydrophobicContact CB-CG 4.45Å; N710-Q713 WeakPolarHBondContact O-CA 3.49Å; N710-Q713 WeakPolarHBondContact O-CB 3.04Å; N710-Q713 PolarHBondContact O-N 3.06Å
711	D	89.2	Confident	89.5	Confident	67 Å²	67	39.2 Å²	39.2	36%	0.358	22%	0.216	S	C	.	.	G	3₁₀ helix	trans	-51.5	-42.7	-179.8	-87.2	-56.1	0	0	0	113.3	K705 Q713 I714 G726 D727	K705-D711 WeakPolarHBondContact CE-OD1 3.49Å; K705-D711 VanDerWaalsContact NZ-CG 3.26Å; K705-D711 IonicContact NZ-OD1 2.65Å; K705-D711 PolarHBondContact NZ-OD1 3.49Å; K705-D711 IonicContact NZ-OD2 3.9Å; K705-D711 PolarHBondContact NZ-OD2 3.24Å; D711-Q713 PolarHBondContact O-N 3.46Å; D711-I714 PolarHBondContact O-N 3.03Å; D711-G726 WeakPolarHBondContact O-CA 3.45Å; D711-G726 PolarHBondContact O-N 2.89Å; D711-G726 VanDerWaalsContact O-N 3.1Å; D711-D727 WeakPolarHBondContact OD1-CB 3.06Å; D711-D727 PolarHBondContact OD1-N 3.23Å
712	H	87.7	Confident	89.2	Confident	127 Å²	127	42 Å²	42	59%	0.588	23%	0.231	S	C	*	.	G	3₁₀ helix	trans	-69.3	-3.4	179.7	70.7	-94.7	0	0	0	114.5	N710 C725	N710-H712 VanDerWaalsContact C-N 3.27Å; N710-H712 PolarHBondContact O-N 3.23Å; N710-H712 VanDerWaalsContact O-N 3.16Å; H712-C725 PolarHBondContact O-SG 3.35Å
713	Q	92.5	Very high	89	Confident	30 Å²	30	39.4 Å²	39.4	14%	0.14	21%	0.209	C	C	.	.	G	3₁₀ helix	trans	-105.5	-7.8	175.1	-55.5	178.5	-91.7	0	0	112.4	I691 A692 G693 L709 N710 D711 Y715	I691-Q713 WeakPolarHBondContact O-CB 3.5Å; I691-Q713 PolarHBondContact O-NE2 3.4Å; A692-Q713 CarbonylContact C-O 3.58Å; A692-Q713 WeakPolarHBondContact CA-O 3.28Å; A692-Q713 WeakPolarHBondContact CB-O 3.27Å; G693-Q713 PolarHBondContact N-O 3.49Å; L709-Q713 HydrophobicContact CB-CB 4.38Å; L709-Q713 HydrophobicContact CD2-CB 4.06Å; N710-Q713 HydrophobicContact CB-CG 4.45Å; N710-Q713 WeakPolarHBondContact O-CA 3.49Å; N710-Q713 WeakPolarHBondContact O-CB 3.04Å; N710-Q713 PolarHBondContact O-N 3.06Å; D711-Q713 PolarHBondContact O-N 3.46Å; Q713-Y715 WeakPolarHBondContact O-CD2 3.47Å; Q713-Y715 WeakPolarHBondContact O-CE2 3.5Å
714	I	93.6	Very high	88.6	Confident	1 Å²	1	41 Å²	41	1%	0.005	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	127	-176.2	-64.4	169.9	0	0	0	109.6	I701 Y704 K705 L709 D711 C725 G726	I701-I714 HydrophobicContact CG1-CG2 4.19Å; I701-I714 HydrophobicContact CG2-CD1 4.41Å; I701-I714 HydrophobicContact CG2-CG2 4.32Å; Y704-I714 HydrophobicContact CD2-CG1 4.38Å; Y704-I714 HydrophobicContact CD2-CG2 4.19Å; K705-I714 HydrophobicContact CG-CD1 3.7Å; L709-I714 HydrophobicContact CB-CD1 4.44Å; L709-I714 HydrophobicContact CB-CG1 4.21Å; D711-I714 PolarHBondContact O-N 3.03Å; I714-C725 CarbonylContact O-C 3.53Å; I714-C725 WeakPolarHBondContact O-CA 3.32Å; I714-G726 PolarHBondContact O-N 3.38Å
715	Y	93.9	Very high	88	Confident	7 Å²	7	41.9 Å²	41.9	3%	0.027	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	107.1	-177.2	-63.6	-92.5	0	0	0	109.6	A692 G693 F694 G695 Q713 V723 C725 L819 Y826 F827	A692-Y715 HydrophobicContact CB-CD2 4.17Å; A692-Y715 HydrophobicContact CB-CE2 3.9Å; G693-Y715 PolarHBondContact O-N 3.46Å; F694-Y715 WeakPolarHBondContact CA-O 3.05Å; F694-Y715 HydrophobicContact CD1-CG 4.25Å; F694-Y715 HydrophobicContact CE1-CD1 4.37Å; F694-Y715 HydrophobicContact CE1-CD2 4.31Å; F694-Y715 AromaticContact CE1-CG 3.87Å; F694-Y715 HydrophobicContact CE1-CG 3.87Å; F694-Y715 HydrophobicContact CE2-CD2 4.29Å; F694-Y715 HydrophobicContact CZ-CD2 4.1Å; F694-Y715 HydrophobicContact CZ-CG 4.08Å; G695-Y715 PolarHBondContact N-O 3.01Å; Q713-Y715 WeakPolarHBondContact O-CD2 3.47Å; Q713-Y715 WeakPolarHBondContact O-CE2 3.5Å; Y715-V723 HydrophobicContact CD1-CG1 3.95Å; Y715-V723 HydrophobicContact CG-CG1 4.47Å; Y715-C725 HydrophobicContact CD1-CB 4.31Å; Y715-C725 HydrophobicContact CE1-CB 4.22Å; Y715-L819 HydrophobicContact CD1-CD2 3.84Å; Y715-L819 HydrophobicContact CE1-CD1 3.95Å; Y715-L819 HydrophobicContact CE1-CD2 4Å; Y715-Y826 WeakPolarHBondContact OH-CD1 3.14Å; Y715-F827 HydrophobicContact CE2-CE2 4.36Å; Y715-F827 AromaticContact CE2-CZ 3.83Å; Y715-F827 HydrophobicContact CE2-CZ 3.83Å
716	T	91.1	Very high	87	Confident	18 Å²	18	38.6 Å²	38.6	11%	0.11	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	120.8	178.1	-49	0	0	0	0	109.9	G695 I701 V723 I724	G695-T716 CarbonylContact O-C 3.45Å; G695-T716 VanDerWaalsContact O-CA 3.31Å; G695-T716 WeakPolarHBondContact O-CA 3.49Å; I701-T716 HydrophobicContact CD1-CG2 4.36Å; I701-T716 WeakPolarHBondContact CD1-OG1 3.35Å; T716-V723 WeakPolarHBondContact O-CA 3.17Å; T716-I724 PolarHBondContact N-O 3.37Å; T716-I724 PolarHBondContact O-N 2.76Å
717	V	89.6	Confident	85.8	Confident	11 Å²	11	40 Å²	40	7%	0.067	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	139.8	177.8	70.9	0	0	0	0	111.6	T567 G695 N696 N722 V723	T567-V717 HydrophobicContact CG2-CG1 4.05Å; G695-V717 PolarHBondContact O-N 3.28Å; N696-V717 HydrophobicContact CB-CG1 4.29Å; V717-N722 WeakPolarHBondContact CA-O 3.35Å; V717-V723 HydrophobicContact CB-CG2 4.4Å; V717-V723 HydrophobicContact CG2-CG2 4.11Å
718	D	84.4	Confident	84.2	Confident	36 Å²	36	41.9 Å²	41.9	19%	0.193	23%	0.227	C	C	.	.	P	Polyproline II helix	trans	-95.2	165.5	170.3	77.9	10.1	0	0	0	112.2	H587 L720 G721 N722	H587-D718 PolarHBondContact CE1-O 2.63Å; D718-L720 PolarHBondContact O-N 3.08Å; D718-L720 WeakPolarHBondContact OD1-CA 3.39Å; D718-L720 WeakPolarHBondContact OD1-CB 3.49Å; D718-L720 PolarHBondContact OD1-N 3.2Å; D718-G721 PolarHBondContact O-N 3.11Å; D718-G721 PolarHBondContact OD1-N 3.29Å; D718-N722 PolarHBondContact N-O 3.04Å; D718-N722 PolarHBondContact OD1-N 3.44Å; D718-N722 PolarHBondContact OD1-ND2 3.19Å; D718-N722 WeakPolarHBondContact OD2-CB 3.38Å; D718-N722 PolarHBondContact OD2-ND2 3.35Å
719	Y	81	Confident	82.5	Confident	111 Å²	111	42 Å²	42	44%	0.435	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-11.6	-178.9	72.6	-83	0	0	0	115	Y200	Y200-Y719 HydrophobicContact CD1-CD1 4.46Å; Y200-Y719 HydrophobicContact CD1-CE1 4.05Å; Y200-Y719 HydrophobicContact CE1-CE1 4.11Å
720	L	78.2	Confident	80.2	Confident	117 Å²	117	48.1 Å²	48.1	61%	0.613	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92	-18.3	174.2	-59.4	172.7	0	0	0	112.5	D718	D718-L720 PolarHBondContact O-N 3.08Å; D718-L720 WeakPolarHBondContact OD1-CA 3.39Å; D718-L720 WeakPolarHBondContact OD1-CB 3.49Å; D718-L720 PolarHBondContact OD1-N 3.2Å
721	G	78.7	Confident	77.6	Confident	10 Å²	10	50.7 Å²	50.7	10%	0.103	27%	0.27	C	S	.	.	S	Bend	trans	95.2	16	-175	0	0	0	0	0	114.6	H587 D718 L816	H587-G721 WeakPolarHBondContact ND1-CA 3.15Å; D718-G721 PolarHBondContact O-N 3.11Å; D718-G721 PolarHBondContact OD1-N 3.29Å; G721-L816 PolarHBondContact O-N 3.37Å; G721-L816 VanDerWaalsContact O-N 3.15Å
722	N	85.1	Confident	75.2	Confident	67 Å²	67	50 Å²	50	36%	0.358	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	146.3	165.6	-50.5	-66.3	0	0	0	109.1	V717 D718	V717-N722 WeakPolarHBondContact CA-O 3.35Å; D718-N722 PolarHBondContact N-O 3.04Å; D718-N722 PolarHBondContact OD1-N 3.44Å; D718-N722 PolarHBondContact OD1-ND2 3.19Å; D718-N722 WeakPolarHBondContact OD2-CB 3.38Å; D718-N722 PolarHBondContact OD2-ND2 3.35Å
723	V	86.7	Confident	72.5	Confident	1 Å²	1	49.8 Å²	49.8	1%	0.006	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	124.1	-177.6	-177.5	0	0	0	0	109.7	Y715 T716 V717 L814 L816 L819	Y715-V723 HydrophobicContact CD1-CG1 3.95Å; Y715-V723 HydrophobicContact CG-CG1 4.47Å; T716-V723 WeakPolarHBondContact O-CA 3.17Å; V717-V723 HydrophobicContact CB-CG2 4.4Å; V717-V723 HydrophobicContact CG2-CG2 4.11Å; V723-L814 PolarHBondContact N-O 3.05Å; V723-L814 CarbonylContact O-C 3.6Å; V723-L814 PolarHBondContact O-N 3.14Å; V723-L814 VanDerWaalsContact O-N 3.13Å; V723-L816 HydrophobicContact CG2-CB 4.45Å; V723-L816 HydrophobicContact CG2-CD1 3.63Å; V723-L819 HydrophobicContact CG1-CD2 4.44Å
724	I	84.6	Confident	69.8	Low	36 Å²	36	53.1 Å²	53.1	19%	0.185	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	119.9	172	-56.7	178.3	0	0	0	107.5	T716 P728 L811	T716-I724 PolarHBondContact N-O 3.37Å; T716-I724 PolarHBondContact O-N 2.76Å; I724-P728 HydrophobicContact CD1-CG 4.28Å; I724-P728 HydrophobicContact CG2-CG 4.38Å; I724-L811 HydrophobicContact CG2-CB 4.33Å; I724-L811 HydrophobicContact CG2-CD1 4.43Å; I724-L811 HydrophobicContact CG2-CD2 4.02Å; I724-L811 HydrophobicContact CG2-CG 4.5Å
725	C	82	Confident	67.1	Low	20 Å²	20	61 Å²	61	14%	0.135	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	128	167.6	-172.6	0	0	0	0	108.8	H712 I714 Y715 L811	H712-C725 PolarHBondContact O-SG 3.35Å; I714-C725 CarbonylContact O-C 3.53Å; I714-C725 WeakPolarHBondContact O-CA 3.32Å; Y715-C725 HydrophobicContact CD1-CB 4.31Å; Y715-C725 HydrophobicContact CE1-CB 4.22Å; C725-L811 VanDerWaalsContact O-CD2 3.26Å; C725-L811 WeakPolarHBondContact O-CD2 3.12Å
726	G	72.1	Confident	64.2	Low	5 Å²	5	65.6 Å²	65.6	5%	0.052	35%	0.349	C	S	.	.	S	Bend	trans	86.5	157.5	-172	0	0	0	0	0	114.3	D711 I714 P728	D711-G726 WeakPolarHBondContact O-CA 3.45Å; D711-G726 PolarHBondContact O-N 2.89Å; D711-G726 VanDerWaalsContact O-N 3.1Å; I714-G726 PolarHBondContact O-N 3.38Å; G726-P728 WeakPolarHBondContact O-CD 3.24Å
727	D	66.4	Low	61.5	Low	65 Å²	65	70.2 Å²	70.2	35%	0.348	37%	0.373	S	S	.	.			trans	-57.5	123.5	169.7	-176.9	-17.4	0	0	0	110.7	I701 K705 D711 G729	I701-D727 HydrophobicContact CG2-CB 3.89Å; K705-D727 IonicContact NZ-OD2 2.71Å; K705-D727 PolarHBondContact NZ-OD2 2.85Å; D711-D727 WeakPolarHBondContact OD1-CB 3.06Å; D711-D727 PolarHBondContact OD1-N 3.23Å; D727-G729 PolarHBondContact O-N 2.84Å; D727-G729 PolarHBondContact OD1-N 3.07Å
728	P	58.8	Low	58.9	Low	52 Å²	52	77.7 Å²	77.7	34%	0.338	40%	0.404	S	S	.	.			trans	-56.4	-31.4	178.3	-26.3	34.7	0	0	0	113.9	I724 G726	I724-P728 HydrophobicContact CD1-CG 4.28Å; I724-P728 HydrophobicContact CG2-CG 4.38Å; G726-P728 WeakPolarHBondContact O-CD 3.24Å
729	G	53.3	Low	56.6	Low	36 Å²	36	84.4 Å²	84.4	37%	0.371	43%	0.432	S	S	.	.			trans	62.5	167.6	-178	0	0	0	0	0	115.2	D727 N731	D727-G729 PolarHBondContact O-N 2.84Å; D727-G729 PolarHBondContact OD1-N 3.07Å; G729-N731 PolarHBondContact O-N 3.05Å; G729-N731 VanDerWaalsContact O-N 3.15Å
730	E	43.8	Very low	54.3	Low	133 Å²	133	86.6 Å²	86.6	62%	0.621	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.6	-6.9	176.5	-63.3	-139.2	98.4	0	0	113.8	G732 K733	E730-G732 PolarHBondContact O-N 3.49Å; E730-K733 WeakPolarHBondContact O-CB 3.5Å; E730-K733 PolarHBondContact O-N 2.98Å; E730-K733 WeakPolarHBondContact OE1-CE 3.32Å; E730-K733 IonicContact OE1-NZ 2.87Å; E730-K733 PolarHBondContact OE1-NZ 3.49Å
731	N	37.9	Very low	52.1	Low	115 Å²	115	87.4 Å²	87.4	62%	0.615	45%	0.449	S	S	*	.	H	α-helix	trans	-55.6	-11.8	-179	-70.3	-54	0	0	0	115.4	G729	G729-N731 PolarHBondContact O-N 3.05Å; G729-N731 VanDerWaalsContact O-N 3.15Å
732	G	37.2	Very low	50	Low	53 Å²	53	93.6 Å²	93.6	55%	0.546	48%	0.479	S	S	.	.	H	α-helix	trans	-73.4	-31.5	168.3	0	0	0	0	0	114.4	E730	E730-G732 PolarHBondContact O-N 3.49Å
733	K	32.1	Very low	47.3	Very low	121 Å²	121	96.2 Å²	96.2	53%	0.526	50%	0.498	S	S	.	.	H	α-helix	trans	-76.1	-44.2	-175.6	-64.6	177	-177.5	171.9	0	112.1	E730 K735 K736 L737	E730-K733 WeakPolarHBondContact O-CB 3.5Å; E730-K733 PolarHBondContact O-N 2.98Å; E730-K733 WeakPolarHBondContact OE1-CE 3.32Å; E730-K733 IonicContact OE1-NZ 2.87Å; E730-K733 PolarHBondContact OE1-NZ 3.49Å; K733-K735 VanDerWaalsContact C-N 3.28Å; K733-K735 PolarHBondContact O-N 2.95Å; K733-K736 WeakPolarHBondContact O-CA 3.41Å; K733-K736 VanDerWaalsContact O-CB 3.29Å; K733-K736 WeakPolarHBondContact O-CB 3.4Å; K733-K736 PolarHBondContact O-N 2.77Å; K733-L737 PolarHBondContact O-N 3.2Å
734	D	35.1	Very low	44.5	Very low	101 Å²	101	99.8 Å²	99.8	54%	0.54	53%	0.528	S	S	.	.	H	α-helix	trans	-64.8	-31.2	-177.9	-69	-31	0	0	0	113.4	K736 L737 K738	D734-K736 VanDerWaalsContact C-N 3.27Å; D734-K736 PolarHBondContact O-N 2.86Å; D734-L737 PolarHBondContact O-N 3.01Å; D734-K738 PolarHBondContact O-N 2.87Å
735	K	36.8	Very low	41.8	Very low	166 Å²	166	106.8 Å²	106.8	72%	0.722	56%	0.559	S	S	*	*	H	α-helix	trans	-69.8	-23.5	172.3	-71.2	178.4	179.4	173.3	0	112.8	K733	K733-K735 VanDerWaalsContact C-N 3.28Å; K733-K735 PolarHBondContact O-N 2.95Å
736	K	34.5	Very low	39.2	Very low	103 Å²	103	112.7 Å²	112.7	45%	0.448	59%	0.594	S	S	.	*	H	α-helix	trans	-78.7	-35.8	169.6	-109.3	173.7	171.5	176.9	0	111.8	Q194 D198 K733 D734	Q194-K736 VanDerWaalsContact NE2-NZ 3.17Å; D198-K736 IonicContact OD1-NZ 3.28Å; D198-K736 PolarHBondContact OD1-NZ 3.02Å; D198-K736 IonicContact OD2-NZ 3.75Å; D198-K736 PolarHBondContact OD2-NZ 3.38Å; K733-K736 WeakPolarHBondContact O-CA 3.41Å; K733-K736 VanDerWaalsContact O-CB 3.29Å; K733-K736 WeakPolarHBondContact O-CB 3.4Å; K733-K736 PolarHBondContact O-N 2.77Å; D734-K736 VanDerWaalsContact C-N 3.27Å; D734-K736 PolarHBondContact O-N 2.86Å
737	L	33.5	Very low	37.1	Very low	116 Å²	116	117.7 Å²	117.7	61%	0.607	63%	0.629	S	S	*	*	H	α-helix	trans	-71.9	-49.7	176.7	-98	72	0	0	0	113.4	K733 D734 K739 K740	K733-L737 PolarHBondContact O-N 3.2Å; D734-L737 PolarHBondContact O-N 3.01Å; L737-K739 PolarHBondContact O-N 3.35Å; L737-K740 WeakPolarHBondContact O-CB 3.41Å; L737-K740 PolarHBondContact O-N 3.22Å
738	K	34.1	Very low	35.5	Very low	168 Å²	168	119.7 Å²	119.7	73%	0.73	65%	0.648	S	S	*	*	H	α-helix	trans	-56.3	-39	179.7	-97.7	-178.9	173.1	175.1	0	112.2	D734 K740 N741	D734-K738 PolarHBondContact O-N 2.87Å; K738-K740 PolarHBondContact O-N 2.95Å; K738-K740 VanDerWaalsContact O-N 3.11Å; K738-N741 PolarHBondContact O-N 2.9Å
739	K	35.9	Very low	34	Very low	176 Å²	176	124.1 Å²	124.1	77%	0.765	67%	0.668	S	S	*	*	H	α-helix	trans	-72.6	1.9	179	-143.9	173.9	-172.6	177.5	0	115.1	L737	L737-K739 PolarHBondContact O-N 3.35Å
740	K	33	Very low	32.9	Very low	157 Å²	157	129.7 Å²	129.7	68%	0.683	69%	0.685	S	S	*	*	H	α-helix	trans	-105.1	-16.2	177.1	-150.9	-179.6	-178.3	-171.4	0	113.3	L737 K738	L737-K740 WeakPolarHBondContact O-CB 3.41Å; L737-K740 PolarHBondContact O-N 3.22Å; K738-K740 PolarHBondContact O-N 2.95Å; K738-K740 VanDerWaalsContact O-N 3.11Å
741	N	32.2	Very low	32.2	Very low	135 Å²	135	130.7 Å²	130.7	72%	0.722	69%	0.689	S	S	*	*	H	α-helix	trans	-92.4	-28.1	179.7	-72.5	2.2	0	0	0	113.3	K738 T743	K738-N741 PolarHBondContact O-N 2.9Å; N741-T743 PolarHBondContact O-N 3.49Å
742	D	34.2	Very low	31.7	Very low	139 Å²	139	131.2 Å²	131.2	74%	0.743	69%	0.691	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.9	30.3	-178.5	-58.8	-27.3	0	0	0	113.8
743	T	29.9	Very low	31.2	Very low	123 Å²	123	134.9 Å²	134.9	76%	0.755	70%	0.699	S	S	*	*	T	Hydrogen-bonded Turn	trans	-146.4	27.2	-174.9	-32.5	0	0	0	0	113.9	N741	N741-T743 PolarHBondContact O-N 3.49Å
744	A	27.4	Very low	31.1	Very low	76 Å²	76	135.1 Å²	135.1	63%	0.628	71%	0.705	S	S	*	*	S	Bend	trans	-130.1	145.8	168.5	0	0	0	0	0	110.5
745	H	27.6	Very low	30.8	Very low	182 Å²	182	136.9 Å²	136.9	84%	0.843	71%	0.71	S	S	*	*			trans	65.4	71.6	176.4	-64.8	-82.9	0	0	0	118.8
746	V	27.5	Very low	30.5	Very low	145 Å²	145	135.1 Å²	135.1	88%	0.879	71%	0.709	S	S	*	*			trans	-135	89.1	143	-175.8	0	0	0	0	110.8
747	S	27.8	Very low	30.3	Very low	110 Å²	110	139.1 Å²	139.1	77%	0.769	73%	0.727	S	S	*	*			trans	171	132.2	158.8	-80.3	0	0	0	0	107.3
748	S	32.5	Very low	30.1	Very low	107 Å²	107	138.2 Å²	138.2	75%	0.748	73%	0.73	S	S	*	*			cis	-143.8	136.4	15.5	-62.4	0	0	0	0	113.4
749	N	26.9	Very low	30	Very low	144 Å²	144	136.7 Å²	136.7	77%	0.77	74%	0.735	S	S	*	*			trans	38.2	136.4	136	-74.1	-7.9	0	0	0	124.2
750	Q	31.9	Very low	29.8	Very low	153 Å²	153	133.5 Å²	133.5	72%	0.715	73%	0.734	S	S	*	*			trans	91.8	94.3	136	-76.2	174.3	-23.5	0	0	122.3
751	Q	27.5	Very low	29.9	Very low	154 Å²	154	130.7 Å²	130.7	72%	0.72	74%	0.735	S	S	*	*				90.2	136	113.1	-82	-177.7	-97.2	0	0	123.3
752	L	27.8	Very low	29.7	Very low	126 Å²	126	130.4 Å²	130.4	66%	0.66	74%	0.738	S	S	*	*			trans	78.1	96	153.3	-92.2	81.9	0	0	0	121.6
753	N	27.1	Very low	29.5	Very low	131 Å²	131	129.6 Å²	129.6	70%	0.701	74%	0.738	S	S	*	*				83	142.1	110	-76.6	25.2	0	0	0	123.4
754	N	29.2	Very low	29.6	Very low	125 Å²	125	129.3 Å²	129.3	67%	0.668	74%	0.736	S	S	*	*			trans	72	140.6	157.7	-67.1	28.3	0	0	0	116.7
755	E	30.6	Very low	29.8	Very low	138 Å²	138	131.4 Å²	131.4	65%	0.645	74%	0.741	S	S	*	*			cis	-162	157.2	4.5	-123.3	173.6	-113.7	0	0	112.9
756	N	29.5	Very low	30	Very low	130 Å²	130	126.7 Å²	126.7	70%	0.695	73%	0.729	S	S	*	*			trans	47.5	131.9	145.2	-63.1	-31.9	0	0	0	120.3
757	K	30.8	Very low	30.2	Very low	187 Å²	187	128 Å²	128	81%	0.813	73%	0.725	S	S	*	*				172.4	118.8	52.8	-161.2	163	-177.8	174.9	0	116
758	S	29.6	Very low	30.5	Very low	97 Å²	97	128.5 Å²	128.5	68%	0.678	72%	0.724	S	S	*	*			trans	68.6	154.2	137.6	-54.2	0	0	0	0	126.2
759	T	31.9	Very low	30.4	Very low	136 Å²	136	128.5 Å²	128.5	83%	0.834	72%	0.724	S	S	*	*			trans	72.4	138.6	167.6	67.2	0	0	0	0	117.1
760	S	32	Very low	30.6	Very low	108 Å²	108	127.5 Å²	127.5	76%	0.755	73%	0.728	S	S	*	*			cis	-171.9	169.4	-9.6	-90.3	0	0	0	0	107.4
761	S	33.6	Very low	30.5	Very low	98 Å²	98	126.3 Å²	126.3	69%	0.685	73%	0.731	S	S	*	*			cis	-166.6	136.9	-9	41.2	0	0	0	0	107.6
762	V	28.3	Very low	30.7	Very low	130 Å²	130	124.4 Å²	124.4	79%	0.788	73%	0.731	S	S	*	*				54	131.4	95.1	-168.9	0	0	0	0	114.9
763	T	30.9	Very low	30.9	Very low	121 Å²	121	123.4 Å²	123.4	74%	0.742	73%	0.734	S	S	*	*			cis	-117	-151.3	9.8	-20.7	0	0	0	0	110.1
764	T	31.3	Very low	30.8	Very low	117 Å²	117	124.8 Å²	124.8	72%	0.718	74%	0.742	S	S	*	*			cis	-166.7	149.2	2.1	1.3	0	0	0	0	105.4
765	T	31.6	Very low	30.8	Very low	121 Å²	121	124.1 Å²	124.1	74%	0.742	75%	0.747	S	S	*	*			cis	-157.9	-169.7	-1.8	-20.2	0	0	0	0	109.8
766	S	32.9	Very low	30.5	Very low	83 Å²	83	127.5 Å²	127.5	58%	0.58	76%	0.76	S	S	*	*			trans	-14.9	143.2	157.4	58.6	0	0	0	0	119.5
767	E	31.6	Very low	30.6	Very low	171 Å²	171	126.9 Å²	126.9	80%	0.799	76%	0.761	S	S	*	*			cis	-174	-176.6	-6.1	-116.3	157.5	-96.9	0	0	107.4
768	T	32.9	Very low	30.3	Very low	121 Å²	121	125.5 Å²	125.5	74%	0.742	76%	0.762	S	S	*	*			cis	-125	-123.1	6.9	-35.4	0	0	0	0	111.5
769	S	29.8	Very low	30.3	Very low	108 Å²	108	127 Å²	127	76%	0.755	77%	0.767	S	S	*	*			trans	-159.1	141.8	-172.1	58.6	0	0	0	0	115.7
770	S	33	Very low	30.1	Very low	123 Å²	123	126.1 Å²	126.1	86%	0.86	76%	0.762	S	S	*	*				-164.1	144.6	129.3	57.9	0	0	0	0	111.7
771	T	29.2	Very low	30	Very low	127 Å²	127	127.6 Å²	127.6	78%	0.779	77%	0.766	S	S	*	*			trans	-69.9	168.6	179.3	53.5	0	0	0	0	112.2
772	T	31.7	Very low	29.8	Very low	115 Å²	115	127.9 Å²	127.9	71%	0.706	76%	0.764	S	S	*	*			cis	-164.5	145.9	33.7	-30.2	0	0	0	0	113.3
773	S	31.7	Very low	29.8	Very low	105 Å²	105	127.8 Å²	127.8	73%	0.734	76%	0.764	S	S	*	*			trans	51	119.1	149.7	58.7	0	0	0	0	122.3
774	D	24.2	Very low	29.7	Very low	159 Å²	159	128.8 Å²	128.8	85%	0.85	77%	0.765	S	S	*	*			trans	-64.3	156.7	156.4	-55.1	-85.4	0	0	0	113.8
775	S	30.9	Very low	29.4	Very low	112 Å²	112	129.4 Å²	129.4	78%	0.783	77%	0.769	S	S	*	*			trans	-157.5	137.4	142.2	51.9	0	0	0	0	112.4
776	F	24	Very low	29.3	Very low	208 Å²	208	129.3 Å²	129.3	91%	0.912	77%	0.768	S	S	*	*			trans	-75	135.2	170.4	-91.8	-115.3	0	0	0	110.8
777	V	31.4	Very low	28.9	Very low	118 Å²	118	131.3 Å²	131.3	72%	0.715	78%	0.777	S	S	*	*			trans	-139.7	123.4	159.4	179.8	0	0	0	0	110.2
778	N	23.5	Very low	28.8	Very low	157 Å²	157	129.3 Å²	129.3	84%	0.84	78%	0.777	S	S	*	*			trans	-76.6	136.1	165.8	-71.9	-41.3	0	0	0	109.7
779	T	29.7	Very low	28.5	Very low	128 Å²	128	128.9 Å²	128.9	79%	0.785	77%	0.774	S	S	*	*			trans	-128	117.8	169.5	-57.4	0	0	0	0	111.4
780	T	28	Very low	28.4	Very low	119 Å²	119	129.2 Å²	129.2	73%	0.73	77%	0.772	S	S	*	*			trans	-74.3	132.5	175.3	-51.2	0	0	0	0	111	T782	T780-T782 PolarHBondContact O-N 3.32Å
781	T	29.8	Very low	28.2	Very low	138 Å²	138	131.1 Å²	131.1	85%	0.847	77%	0.772	S	S	*	*			trans	-78.8	99.8	171.8	-50.9	0	0	0	0	110.7
782	T	30.2	Very low	28.2	Very low	105 Å²	105	130.7 Å²	130.7	64%	0.644	77%	0.77	S	S	*	*			trans	-93	122.7	172	-56.8	0	0	0	0	110.5	T780 N784	T780-T782 PolarHBondContact O-N 3.32Å; T782-N784 PolarHBondContact O-N 2.8Å
783	T	27	Very low	28.2	Very low	128 Å²	128	132.2 Å²	132.2	79%	0.785	77%	0.773	S	S	*	*			trans	-77.5	110.6	172.8	49.8	0	0	0	0	111
784	N	30.1	Very low	27.9	Very low	142 Å²	142	134.4 Å²	134.4	76%	0.759	78%	0.777	S	S	*	*			trans	-108.5	112.3	170.2	-82.7	-7.2	0	0	0	110.7	T782	T782-N784 PolarHBondContact O-N 2.8Å
785	T	25.4	Very low	28.1	Very low	129 Å²	129	132.7 Å²	132.7	79%	0.791	77%	0.772	S	S	*	*			trans	-80.8	124	168.9	-51.2	0	0	0	0	109.6
786	T	28.7	Very low	27.9	Very low	120 Å²	120	135.4 Å²	135.4	74%	0.736	78%	0.776	S	S	*	*			trans	-132.5	122.5	170.4	-57.9	0	0	0	0	110.1
787	T	23.6	Very low	28	Very low	124 Å²	124	130.9 Å²	130.9	76%	0.761	77%	0.766	S	S	*	*			trans	-102.4	117.3	-177.6	-49.1	0	0	0	0	110.8
788	T	29.3	Very low	27.8	Very low	130 Å²	130	131.2 Å²	131.2	80%	0.798	77%	0.769	S	S	*	*			trans	-147.1	159.8	160.8	-15.1	0	0	0	0	111
789	T	27.9	Very low	27.8	Very low	111 Å²	111	126.7 Å²	126.7	68%	0.681	76%	0.759	S	S	*	*			trans	-113.4	154.8	-153.8	47.1	0	0	0	0	115.3
790	T	26.6	Very low	27.5	Very low	116 Å²	116	128 Å²	128	71%	0.712	76%	0.76	S	S	*	*			trans	55.4	115.4	148.1	52.1	0	0	0	0	119.4
791	N	30.2	Very low	27.3	Very low	162 Å²	162	128.3 Å²	128.3	87%	0.866	76%	0.762	S	S	*	*				-155.8	166.5	100.6	-99.4	-21.4	0	0	0	112
792	T	27.4	Very low	26.9	Very low	118 Å²	118	127.7 Å²	127.7	72%	0.724	76%	0.758	S	S	*	*			trans	-84.9	152.3	-170.9	54.3	0	0	0	0	113
793	N	33	Very low	26.7	Very low	147 Å²	147	127.9 Å²	127.9	79%	0.786	76%	0.759	S	S	*	*				-176.3	147.9	111.4	-86.9	-1.2	0	0	0	112.3
794	D	25.7	Very low	26.5	Very low	151 Å²	151	126.4 Å²	126.4	81%	0.807	75%	0.75	S	S	*	*			trans	-46	127	-172.6	-49.4	-51.2	0	0	0	117.5
795	T	28.1	Very low	26.4	Very low	123 Å²	123	123 Å²	123	76%	0.755	73%	0.734	S	S	*	*				-154.4	113.7	123.5	-29.9	0	0	0	0	110.4	T797	T795-T797 PolarHBondContact O-N 2.95Å
796	I	25.3	Very low	26.5	Very low	169 Å²	169	125.8 Å²	125.8	87%	0.867	73%	0.732	S	S	*	*			trans	-85.5	85.6	170.7	-57.9	178	0	0	0	108.2
797	T	28	Very low	26.4	Very low	114 Å²	114	126.6 Å²	126.6	70%	0.699	74%	0.737	S	S	*	*			trans	-106.2	118.8	169.2	-54.7	0	0	0	0	108.4	T795 G799	T795-T797 PolarHBondContact O-N 2.95Å; T797-G799 PolarHBondContact O-N 3.02Å
798	T	25.7	Very low	26.5	Very low	125 Å²	125	127 Å²	127	77%	0.767	73%	0.734	S	S	*	*			trans	-74.8	72.8	-178.1	50.7	0	0	0	0	111.8	L800	T798-L800 PolarHBondContact O-N 2.87Å
799	G	23.9	Very low	26.6	Very low	61 Å²	61	126 Å²	126	63%	0.629	73%	0.733	S	S	*	*			trans	-74.2	103.4	169.8	0	0	0	0	0	110.6	T797 T801	T797-G799 PolarHBondContact O-N 3.02Å; G799-T801 PolarHBondContact O-N 2.83Å; G799-T801 VanDerWaalsContact O-N 3.13Å
800	L	23.6	Very low	26.9	Very low	156 Å²	156	127.1 Å²	127.1	82%	0.817	74%	0.739	S	S	*	*			trans	-61.8	112.5	157.1	-90.7	73	0	0	0	107	T798 T802	T798-L800 PolarHBondContact O-N 2.87Å; L800-T802 PolarHBondContact O-N 2.98Å
801	T	22.9	Very low	27.7	Very low	126 Å²	126	125.2 Å²	125.2	77%	0.773	72%	0.724	S	S	*	*			trans	-70.9	96.5	168.1	47.9	0	0	0	0	108.1	G799 T803	G799-T801 PolarHBondContact O-N 2.83Å; G799-T801 VanDerWaalsContact O-N 3.13Å; T801-T803 VanDerWaalsContact C-N 3.35Å; T801-T803 PolarHBondContact O-N 3.36Å
802	T	22.8	Very low	28.7	Very low	125 Å²	125	119.6 Å²	119.6	77%	0.767	70%	0.7	S	S	*	*			trans	-59.8	95.4	173.7	-51	0	0	0	0	109.4	L800 T804	L800-T802 PolarHBondContact O-N 2.98Å; T802-T804 PolarHBondContact O-N 3.09Å
803	T	24.5	Very low	29.9	Very low	108 Å²	108	121.6 Å²	121.6	66%	0.663	70%	0.698	S	S	*	*			trans	-70.7	99.7	174.4	-59.5	0	0	0	0	108.3	T801 V805	T801-T803 VanDerWaalsContact C-N 3.35Å; T801-T803 PolarHBondContact O-N 3.36Å; T803-V805 VanDerWaalsContact C-N 3.28Å; T803-V805 HydrophobicContact CG2-CG2 4.27Å; T803-V805 PolarHBondContact O-N 3.48Å
804	T	23.1	Very low	31.5	Very low	97 Å²	97	115.9 Å²	115.9	60%	0.595	67%	0.668	S	S	*	*			trans	-63.9	88.7	171.5	-49.7	0	0	0	0	109.4	T802 Y806	T802-T804 PolarHBondContact O-N 3.09Å; T804-Y806 HydrophobicContact CG2-CD2 4.47Å; T804-Y806 HydrophobicContact CG2-CE2 4.38Å; T804-Y806 VanDerWaalsContact O-CD2 3.27Å; T804-Y806 WeakPolarHBondContact O-CD2 3.35Å; T804-Y806 PolarHBondContact O-N 3.17Å; T804-Y806 VanDerWaalsContact O-N 3.09Å
805	V	28.5	Very low	34	Very low	70 Å²	70	111 Å²	111	42%	0.424	64%	0.642	S	S	.	*			trans	-69.3	104.3	168.9	179.2	0	0	0	0	106.6	T803 T807 M822	T803-V805 VanDerWaalsContact C-N 3.28Å; T803-V805 HydrophobicContact CG2-CG2 4.27Å; T803-V805 PolarHBondContact O-N 3.48Å; V805-T807 PolarHBondContact O-N 3.04Å; V805-T807 VanDerWaalsContact O-N 3.14Å; V805-M822 HydrophobicContact CG2-CE 3.79Å
806	Y	27.6	Very low	36.6	Very low	188 Å²	188	105.4 Å²	105.4	74%	0.737	61%	0.607	S	S	*	*			trans	-62.7	115.6	-174.6	-82.9	-100.4	0	0	0	111	T804 N808	T804-Y806 HydrophobicContact CG2-CD2 4.47Å; T804-Y806 HydrophobicContact CG2-CE2 4.38Å; T804-Y806 VanDerWaalsContact O-CD2 3.27Å; T804-Y806 WeakPolarHBondContact O-CD2 3.35Å; T804-Y806 PolarHBondContact O-N 3.17Å; T804-Y806 VanDerWaalsContact O-N 3.09Å; Y806-N808 PolarHBondContact O-N 3.22Å
807	T	27.6	Very low	39.4	Very low	137 Å²	137	100.1 Å²	100.1	84%	0.84	58%	0.581	S	S	*	*	S	Bend	trans	-71.5	54.4	161.1	45.9	0	0	0	0	110.6	V805	V805-T807 PolarHBondContact O-N 3.04Å; V805-T807 VanDerWaalsContact O-N 3.14Å
808	N	25.7	Very low	42.1	Very low	133 Å²	133	96.7 Å²	96.7	71%	0.711	56%	0.561	S	S	*	*	S	Bend	trans	-164.9	104.1	169.4	-101.5	-38.9	0	0	0	112.7	Y806	Y806-N808 PolarHBondContact O-N 3.22Å
809	S	30.1	Very low	45	Very low	110 Å²	110	90.7 Å²	90.7	77%	0.769	53%	0.525	S	S	*	.	S	Bend	trans	68.8	160.6	167.5	83.5	0	0	0	0	118.6
810	V	33.8	Very low	48.2	Very low	133 Å²	133	88.6 Å²	88.6	81%	0.806	50%	0.499	S	S	*	.	S	Bend	trans	69.4	112.4	-175.4	-170.6	0	0	0	0	114.3	A812	V810-A812 PolarHBondContact O-N 3.39Å
811	L	43.4	Very low	51.3	Low	77 Å²	77	88.2 Å²	88.2	40%	0.403	49%	0.493	S	S	.	.			trans	-50.1	107.9	169.5	-62.5	164.7	0	0	0	110.5	I724 C725 K813	I724-L811 HydrophobicContact CG2-CB 4.33Å; I724-L811 HydrophobicContact CG2-CD1 4.43Å; I724-L811 HydrophobicContact CG2-CD2 4.02Å; I724-L811 HydrophobicContact CG2-CG 4.5Å; C725-L811 VanDerWaalsContact O-CD2 3.26Å; C725-L811 WeakPolarHBondContact O-CD2 3.12Å; L811-K813 PolarHBondContact O-N 2.88Å
812	A	51.4	Low	54.5	Low	43 Å²	43	84.9 Å²	84.9	36%	0.355	47%	0.469	S	S	.	.			trans	-68.6	103.8	172.6	0	0	0	0	0	108.5	V810 L814	V810-A812 PolarHBondContact O-N 3.39Å; A812-L814 HydrophobicContact CB-CG 4.36Å; A812-L814 PolarHBondContact O-N 3.14Å
813	K	53.9	Low	57.8	Low	160 Å²	160	79 Å²	79	70%	0.696	43%	0.433	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70	85.7	167.6	-81.2	-158.1	170.2	-158.6	0	109	L811	L811-K813 PolarHBondContact O-N 2.88Å
814	L	66.7	Low	60.9	Low	27 Å²	27	78.1 Å²	78.1	14%	0.141	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	166.3	166.9	-63	171.2	0	0	0	108.8	V723 A812 L819 Y826	V723-L814 PolarHBondContact N-O 3.05Å; V723-L814 CarbonylContact O-C 3.6Å; V723-L814 PolarHBondContact O-N 3.14Å; V723-L814 VanDerWaalsContact O-N 3.13Å; A812-L814 HydrophobicContact CB-CG 4.36Å; A812-L814 PolarHBondContact O-N 3.14Å; L814-L819 HydrophobicContact CD1-CD1 4.23Å; L814-Y826 HydrophobicContact CD1-CE2 4.29Å
815	N	77.9	Confident	63.9	Low	49 Å²	49	77.9 Å²	77.9	26%	0.262	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	170.6	153.6	68.5	-11.2	0	0	0	108.5	D817 S818 L819	N815-D817 PolarHBondContact ND2-OD2 3.11Å; N815-D817 PolarHBondContact O-N 3.44Å; N815-D817 VanDerWaalsContact O-N 3.17Å; N815-S818 PolarHBondContact O-N 2.81Å; N815-S818 VanDerWaalsContact OD1-CB 3.3Å; N815-S818 WeakPolarHBondContact OD1-CB 3.44Å; N815-S818 PolarHBondContact OD1-N 3.45Å; N815-S818 PolarHBondContact OD1-OG 3.16Å; N815-L819 PolarHBondContact O-N 2.9Å
816	L	81.4	Confident	66.8	Low	5 Å²	5	77 Å²	77	3%	0.026	41%	0.412	C	S	.	.	H	α-helix	trans	-57.6	-33.3	-177.7	-148	71.9	0	0	0	112.5	H587 H588 I590 L593 G721 V723 L819 L820	H587-L816 HydrophobicContact CB-CD2 4.25Å; H588-L816 VanDerWaalsContact O-CD2 3.27Å; H588-L816 WeakPolarHBondContact O-CD2 3.49Å; I590-L816 HydrophobicContact CB-CD2 3.84Å; I590-L816 HydrophobicContact CD1-CD1 4.1Å; I590-L816 HydrophobicContact CD1-CD2 3.76Å; I590-L816 HydrophobicContact CG1-CD2 4.41Å; L593-L816 HydrophobicContact CD2-CD1 3.47Å; L593-L816 VanDerWaalsContact CD2-CD1 3.47Å; L593-L816 HydrophobicContact CD2-CG 3.83Å; G721-L816 PolarHBondContact O-N 3.37Å; G721-L816 VanDerWaalsContact O-N 3.15Å; V723-L816 HydrophobicContact CG2-CB 4.45Å; V723-L816 HydrophobicContact CG2-CD1 3.63Å; L816-L819 PolarHBondContact O-N 3.13Å; L816-L820 VanDerWaalsContact O-CB 3.25Å; L816-L820 WeakPolarHBondContact O-CB 3.4Å; L816-L820 PolarHBondContact O-N 2.83Å
817	D	84.8	Confident	69.9	Low	58 Å²	58	68.2 Å²	68.2	31%	0.31	38%	0.378	S	S	.	.	H	α-helix	trans	-66.8	-37.1	176.4	-52.3	-31.4	0	0	0	113	H589 N815 Q821	H589-D817 IonicContact CE1-OD1 3.45Å; H589-D817 IonicContact CG-OD1 3.33Å; H589-D817 IonicContact ND1-OD1 3.29Å; H589-D817 PolarHBondContact ND1-OD1 3.45Å; N815-D817 PolarHBondContact ND2-OD2 3.11Å; N815-D817 PolarHBondContact O-N 3.44Å; N815-D817 VanDerWaalsContact O-N 3.17Å; D817-Q821 WeakPolarHBondContact O-CG 3.4Å; D817-Q821 PolarHBondContact O-N 3.49Å; D817-Q821 VanDerWaalsContact O-N 3.1Å; D817-Q821 PolarHBondContact O-NE2 3.22Å
818	S	85.4	Confident	72.9	Confident	42 Å²	42	63.5 Å²	63.5	29%	0.294	35%	0.35	S	S	.	.	H	α-helix	trans	-71.1	-41.2	176.5	-60	0	0	0	0	110.8	N815 L820 Q821 M822	N815-S818 PolarHBondContact O-N 2.81Å; N815-S818 VanDerWaalsContact OD1-CB 3.3Å; N815-S818 WeakPolarHBondContact OD1-CB 3.44Å; N815-S818 PolarHBondContact OD1-N 3.45Å; N815-S818 PolarHBondContact OD1-OG 3.16Å; S818-L820 VanDerWaalsContact C-N 3.33Å; S818-Q821 PolarHBondContact O-N 3.09Å; S818-M822 WeakPolarHBondContact O-CB 3.48Å; S818-M822 WeakPolarHBondContact O-CG 3.31Å; S818-M822 PolarHBondContact O-N 3.45Å; S818-M822 VanDerWaalsContact O-N 3.08Å
819	L	87.2	Confident	76.1	Confident	0 Å²	0	60.7 Å²	60.7	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-65.5	-37.7	174	-172	59.7	0	0	0	111.3	L593 F694 Y715 V723 L814 N815 L816 Q821 M822 V823 Y826	L593-L819 HydrophobicContact CD1-CG 4.12Å; L593-L819 HydrophobicContact CD2-CD2 4.01Å; L593-L819 HydrophobicContact CD2-CG 4.42Å; F694-L819 HydrophobicContact CE1-CD2 3.86Å; F694-L819 HydrophobicContact CZ-CD2 4.11Å; Y715-L819 HydrophobicContact CD1-CD2 3.84Å; Y715-L819 HydrophobicContact CE1-CD1 3.95Å; Y715-L819 HydrophobicContact CE1-CD2 4Å; V723-L819 HydrophobicContact CG1-CD2 4.44Å; L814-L819 HydrophobicContact CD1-CD1 4.23Å; N815-L819 PolarHBondContact O-N 2.9Å; L816-L819 PolarHBondContact O-N 3.13Å; L819-Q821 VanDerWaalsContact C-N 3.31Å; L819-Q821 PolarHBondContact O-N 2.93Å; L819-M822 CarbonylContact O-C 3.59Å; L819-M822 PolarHBondContact O-N 3.3Å; L819-M822 VanDerWaalsContact O-N 3.13Å; L819-V823 VanDerWaalsContact O-CG2 3.25Å; L819-V823 WeakPolarHBondContact O-CG2 3.47Å; L819-V823 PolarHBondContact O-N 3.28Å; L819-Y826 HydrophobicContact CD1-CD2 3.77Å; L819-Y826 HydrophobicContact CD1-CE2 4.27Å; L819-Y826 HydrophobicContact CD1-CG 4.09Å
820	L	89.8	Confident	78.7	Confident	16 Å²	16	56.7 Å²	56.7	8%	0.084	30%	0.303	C	S	.	.	H	α-helix	trans	-63.4	-31.9	174.1	173.8	63.9	0	0	0	113.5	H589 Q592 L593 K596 L816 S818	H589-L820 HydrophobicContact CB-CD2 3.9Å; Q592-L820 HydrophobicContact CB-CD1 4.42Å; Q592-L820 HydrophobicContact CB-CD2 4.42Å; Q592-L820 HydrophobicContact CG-CD1 3.89Å; Q592-L820 HydrophobicContact CG-CD2 4.13Å; L593-L820 HydrophobicContact CB-CD1 4.44Å; L593-L820 HydrophobicContact CD1-CB 4.35Å; K596-L820 HydrophobicContact CD-CD1 3.8Å; K596-L820 HydrophobicContact CG-CD1 4.17Å; K596-L820 PolarHBondContact NZ-O 3.17Å; L816-L820 VanDerWaalsContact O-CB 3.25Å; L816-L820 WeakPolarHBondContact O-CB 3.4Å; L816-L820 PolarHBondContact O-N 2.83Å; S818-L820 VanDerWaalsContact C-N 3.33Å
821	Q	89.2	Confident	80.8	Confident	149 Å²	149	56.3 Å²	56.3	70%	0.696	30%	0.296	S	S	*	.	H	α-helix	trans	-75.3	-31.7	172.8	-75	166.9	71.9	0	0	112.1	D817 S818 L819	D817-Q821 WeakPolarHBondContact O-CG 3.4Å; D817-Q821 PolarHBondContact O-N 3.49Å; D817-Q821 VanDerWaalsContact O-N 3.1Å; D817-Q821 PolarHBondContact O-NE2 3.22Å; S818-Q821 PolarHBondContact O-N 3.09Å; L819-Q821 VanDerWaalsContact C-N 3.31Å; L819-Q821 PolarHBondContact O-N 2.93Å
822	M	90	Very high	81.9	Confident	56 Å²	56	56.7 Å²	56.7	28%	0.276	30%	0.299	S	S	.	.	S	Bend	trans	-99.1	11.8	-176.1	-64.9	-73.7	-72.1	0	0	114.3	V805 S818 L819 D824 V825 Y826	V805-M822 HydrophobicContact CG2-CE 3.79Å; S818-M822 WeakPolarHBondContact O-CB 3.48Å; S818-M822 WeakPolarHBondContact O-CG 3.31Å; S818-M822 PolarHBondContact O-N 3.45Å; S818-M822 VanDerWaalsContact O-N 3.08Å; L819-M822 CarbonylContact O-C 3.59Å; L819-M822 PolarHBondContact O-N 3.3Å; L819-M822 VanDerWaalsContact O-N 3.13Å; M822-D824 VanDerWaalsContact C-N 3.28Å; M822-D824 PolarHBondContact O-N 2.87Å; M822-V825 HydrophobicContact CE-CB 4.18Å; M822-V825 HydrophobicContact CE-CG1 4.18Å; M822-V825 HydrophobicContact CE-CG2 4.02Å; M822-V825 WeakPolarHBondContact O-CB 3.45Å; M822-V825 PolarHBondContact O-N 2.89Å; M822-V825 HydrophobicContact SD-CG2 4.37Å; M822-Y826 HydrophobicContact CB-CD2 3.74Å; M822-Y826 HydrophobicContact CB-CE2 3.71Å; M822-Y826 HydrophobicContact CE-CE2 4.27Å; M822-Y826 HydrophobicContact CG-CE2 4.4Å; M822-Y826 WeakPolarHBondContact O-CD2 3.34Å; M822-Y826 PolarHBondContact O-N 2.9Å
823	V	91.2	Very high	82	Confident	0 Å²	0	59.3 Å²	59.3	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-52.5	-46.2	-173.5	177.5	0	0	0	0	112.1	L593 K596 I597 L819 V825 Y826 F827	L593-V823 HydrophobicContact CD1-CG2 3.53Å; K596-V823 HydrophobicContact CB-CB 4.42Å; K596-V823 HydrophobicContact CB-CG1 4.04Å; K596-V823 HydrophobicContact CB-CG2 4.19Å; K596-V823 HydrophobicContact CD-CB 4.07Å; K596-V823 HydrophobicContact CD-CG2 3.87Å; I597-V823 HydrophobicContact CG1-CG1 3.74Å; L819-V823 VanDerWaalsContact O-CG2 3.25Å; L819-V823 WeakPolarHBondContact O-CG2 3.47Å; L819-V823 PolarHBondContact O-N 3.28Å; V823-V825 PolarHBondContact O-N 3.41Å; V823-V825 VanDerWaalsContact O-N 3.1Å; V823-Y826 PolarHBondContact O-N 2.7Å; V823-F827 HydrophobicContact CG1-CB 4.09Å; V823-F827 CarbonylContact O-C 3.54Å; V823-F827 VanDerWaalsContact O-CA 3.29Å; V823-F827 WeakPolarHBondContact O-CA 3.16Å; V823-F827 WeakPolarHBondContact O-CB 3.44Å; V823-F827 PolarHBondContact O-N 2.91Å
824	D	89.8	Confident	81.4	Confident	90 Å²	90	57.4 Å²	57.4	48%	0.481	30%	0.296	S	S	.	.	H	α-helix	trans	-70.9	-9	-174.8	-49.3	-66.3	0	0	0	113.2	N600 M822 P828	N600-D824 PolarHBondContact ND2-OD1 3.47Å; M822-D824 VanDerWaalsContact C-N 3.28Å; M822-D824 PolarHBondContact O-N 2.87Å; D824-P828 WeakPolarHBondContact O-CA 3.43Å
825	V	87.8	Confident	79.7	Confident	93 Å²	93	61.8 Å²	61.8	56%	0.564	32%	0.319	S	S	*	.	H	α-helix	trans	-91.3	-45.3	173	-175.7	0	0	0	0	111.5	M822 V823	M822-V825 HydrophobicContact CE-CB 4.18Å; M822-V825 HydrophobicContact CE-CG1 4.18Å; M822-V825 HydrophobicContact CE-CG2 4.02Å; M822-V825 WeakPolarHBondContact O-CB 3.45Å; M822-V825 PolarHBondContact O-N 2.89Å; M822-V825 HydrophobicContact SD-CG2 4.37Å; V823-V825 PolarHBondContact O-N 3.41Å; V823-V825 VanDerWaalsContact O-N 3.1Å
826	Y	88.3	Confident	77.4	Confident	52 Å²	52	67.5 Å²	67.5	20%	0.204	34%	0.338	C	S	.	.	H	α-helix	trans	-83.6	-31.6	-179.4	-70.8	-80.9	0	0	0	113	Y715 L814 L819 M822 V823 P828	Y715-Y826 WeakPolarHBondContact OH-CD1 3.14Å; L814-Y826 HydrophobicContact CD1-CE2 4.29Å; L819-Y826 HydrophobicContact CD1-CD2 3.77Å; L819-Y826 HydrophobicContact CD1-CE2 4.27Å; L819-Y826 HydrophobicContact CD1-CG 4.09Å; M822-Y826 HydrophobicContact CB-CD2 3.74Å; M822-Y826 HydrophobicContact CB-CE2 3.71Å; M822-Y826 HydrophobicContact CE-CE2 4.27Å; M822-Y826 HydrophobicContact CG-CE2 4.4Å; M822-Y826 WeakPolarHBondContact O-CD2 3.34Å; M822-Y826 PolarHBondContact O-N 2.9Å; V823-Y826 PolarHBondContact O-N 2.7Å; Y826-P828 VanDerWaalsContact C-CD 3.46Å
827	F	92.2	Very high	75	Confident	2 Å²	2	70.7 Å²	70.7	1%	0.009	37%	0.366	C	S	.	.	S	Bend	trans	-129.5	63	-178.3	-58.6	-89.8	0	0	0	109.8	V560 I597 N600 Y602 A692 F694 Y715 V823	V560-F827 HydrophobicContact CG2-CD1 4.26Å; V560-F827 HydrophobicContact CG2-CE1 3.88Å; I597-F827 HydrophobicContact CD1-CD1 4.39Å; I597-F827 HydrophobicContact CD1-CD2 3.9Å; I597-F827 HydrophobicContact CD1-CE1 4.31Å; I597-F827 HydrophobicContact CD1-CE2 3.83Å; I597-F827 HydrophobicContact CD1-CG 4.2Å; I597-F827 HydrophobicContact CD1-CZ 4.05Å; I597-F827 HydrophobicContact CG1-CB 4.27Å; I597-F827 HydrophobicContact CG1-CD1 4.36Å; I597-F827 HydrophobicContact CG1-CD2 3.96Å; I597-F827 HydrophobicContact CG1-CE2 4.41Å; I597-F827 HydrophobicContact CG1-CG 3.94Å; I597-F827 HydrophobicContact CG2-CB 4.48Å; I597-F827 HydrophobicContact CG2-CD1 3.89Å; I597-F827 HydrophobicContact CG2-CE1 4.36Å; I597-F827 HydrophobicContact CG2-CG 4.2Å; N600-F827 PolarHBondContact ND2-O 2.8Å; Y602-F827 HydrophobicContact CD2-CB 4.4Å; Y602-F827 HydrophobicContact CE2-CB 3.89Å; Y602-F827 HydrophobicContact CE2-CD1 4.49Å; A692-F827 HydrophobicContact CB-CE1 3.58Å; A692-F827 HydrophobicContact CB-CZ 3.8Å; F694-F827 AromaticContact CE2-CZ 3.92Å; F694-F827 HydrophobicContact CE2-CZ 3.92Å; F694-F827 HydrophobicContact CZ-CE2 4.31Å; F694-F827 AromaticContact CZ-CZ 3.95Å; F694-F827 HydrophobicContact CZ-CZ 3.95Å; Y715-F827 HydrophobicContact CE2-CE2 4.36Å; Y715-F827 AromaticContact CE2-CZ 3.83Å; Y715-F827 HydrophobicContact CE2-CZ 3.83Å; V823-F827 HydrophobicContact CG1-CB 4.09Å; V823-F827 CarbonylContact O-C 3.54Å; V823-F827 VanDerWaalsContact O-CA 3.29Å; V823-F827 WeakPolarHBondContact O-CA 3.16Å; V823-F827 WeakPolarHBondContact O-CB 3.44Å; V823-F827 PolarHBondContact O-N 2.91Å
828	P	91.8	Very high	72.4	Confident	39 Å²	39	73 Å²	73	25%	0.253	38%	0.382	S	S	.	.			trans	-60	159.9	174.9	28.4	-36.6	0	0	0	110.8	Y602 D824 Y826 V830 R833	Y602-P828 WeakPolarHBondContact CE2-O 3.27Å; Y602-P828 PolarHBondContact OH-O 3.29Å; D824-P828 WeakPolarHBondContact O-CA 3.43Å; Y826-P828 VanDerWaalsContact C-CD 3.46Å; P828-V830 PolarHBondContact O-N 3.47Å; P828-R833 HydrophobicContact CG-CG 4.21Å
829	Q	91.7	Very high	69.7	Low	73 Å²	73	75.9 Å²	75.9	34%	0.341	39%	0.394	S	S	.	.			trans	-49.6	131.2	177.7	-70.7	-75.3	-22.2	0	0	111.2	N600 N831 D832 R833	N600-Q829 WeakPolarHBondContact O-CA 3.47Å; N600-Q829 PolarHBondContact OD1-NE2 2.97Å; Q829-N831 PolarHBondContact O-N 2.68Å; Q829-N831 VanDerWaalsContact O-N 3.16Å; Q829-D832 HydrophobicContact CB-CB 4.39Å; Q829-D832 PolarHBondContact O-N 3.15Å; Q829-R833 PolarHBondContact O-N 2.92Å
830	V	85.2	Confident	67.2	Low	27 Å²	27	84 Å²	84	16%	0.164	43%	0.426	C	S	.	.	H	α-helix	trans	-56.7	-35.5	-176	169.4	0	0	0	0	112	N600 Y602 P828 D832 R833	N600-V830 WeakPolarHBondContact O-CG2 3.38Å; N600-V830 PolarHBondContact O-N 3.35Å; Y602-V830 HydrophobicContact CD1-CG2 3.78Å; Y602-V830 HydrophobicContact CD2-CG2 4.01Å; Y602-V830 HydrophobicContact CE1-CG2 3.63Å; Y602-V830 HydrophobicContact CE2-CG2 3.86Å; Y602-V830 HydrophobicContact CG-CG2 3.96Å; P828-V830 PolarHBondContact O-N 3.47Å; V830-D832 VanDerWaalsContact C-N 3.32Å; V830-D832 PolarHBondContact O-N 2.99Å; V830-R833 PolarHBondContact O-N 3.46Å
831	N	77.2	Confident	64.4	Low	124 Å²	124	87.9 Å²	87.9	66%	0.663	45%	0.454	S	S	*	.	H	α-helix	trans	-65.1	-32.4	176.9	-64.4	-26.2	0	0	0	113.1	Q829	Q829-N831 PolarHBondContact O-N 2.68Å; Q829-N831 VanDerWaalsContact O-N 3.16Å
832	D	67.4	Low	61.4	Low	85 Å²	85	87 Å²	87	46%	0.455	45%	0.454	S	S	.	.	H	α-helix	trans	-76.9	-29.5	-178.2	-64.1	-17.4	0	0	0	111.5	Q829 V830 L834 L835 Y836	Q829-D832 HydrophobicContact CB-CB 4.39Å; Q829-D832 PolarHBondContact O-N 3.15Å; V830-D832 VanDerWaalsContact C-N 3.32Å; V830-D832 PolarHBondContact O-N 2.99Å; D832-L834 VanDerWaalsContact C-N 3.25Å; D832-L834 PolarHBondContact O-N 2.89Å; D832-L835 WeakPolarHBondContact O-CB 3.42Å; D832-L835 PolarHBondContact O-N 2.84Å; D832-Y836 WeakPolarHBondContact O-CD2 3.35Å; D832-Y836 PolarHBondContact O-N 2.95Å
833	R	53.6	Low	58.5	Low	99 Å²	99	93 Å²	93	37%	0.374	48%	0.475	S	S	.	.	H	α-helix	trans	-57.7	-37.4	173.9	-79	-169.3	173.7	-131.6	-1.1	112.4	Y602 P828 Q829 V830 L835 Y836 A837	Y602-R833 PolarHBondContact OH-NE 3.05Å; Y602-R833 VanDerWaalsContact OH-NE 3.07Å; P828-R833 HydrophobicContact CG-CG 4.21Å; Q829-R833 PolarHBondContact O-N 2.92Å; V830-R833 PolarHBondContact O-N 3.46Å; R833-L835 VanDerWaalsContact C-N 3.27Å; R833-L835 PolarHBondContact O-N 3.48Å; R833-Y836 PolarHBondContact O-N 2.93Å; R833-A837 PolarHBondContact O-N 3.46Å
834	L	41.7	Very low	55.4	Low	120 Å²	120	99.1 Å²	99.1	63%	0.628	51%	0.513	S	S	*	.	H	α-helix	trans	-62.6	-35.7	176.6	-70.6	169.9	0	0	0	111.9	D832 T838	D832-L834 VanDerWaalsContact C-N 3.25Å; D832-L834 PolarHBondContact O-N 2.89Å; L834-T838 PolarHBondContact O-N 3.03Å; L834-T838 PolarHBondContact O-OG1 2.89Å
835	L	29.9	Very low	52.2	Low	119 Å²	119	104 Å²	104	62%	0.623	53%	0.526	S	S	*	.	H	α-helix	trans	-71.3	-31.1	178.8	-152.7	77.3	0	0	0	112.4	D832 R833 T838 N839	D832-L835 WeakPolarHBondContact O-CB 3.42Å; D832-L835 PolarHBondContact O-N 2.84Å; R833-L835 VanDerWaalsContact C-N 3.27Å; R833-L835 PolarHBondContact O-N 3.48Å; L835-T838 PolarHBondContact O-OG1 2.92Å; L835-N839 PolarHBondContact O-ND2 2.82Å
836	Y	29.5	Very low	49.2	Very low	168 Å²	168	110.4 Å²	110.4	66%	0.659	54%	0.54	S	S	*	.	H	α-helix	trans	-72.5	-46.7	172.4	-82.9	-82.2	0	0	0	111.9	D832 R833 T838 N839 Y840	D832-Y836 WeakPolarHBondContact O-CD2 3.35Å; D832-Y836 PolarHBondContact O-N 2.95Å; R833-Y836 PolarHBondContact O-N 2.93Å; Y836-T838 PolarHBondContact O-N 2.91Å; Y836-N839 PolarHBondContact O-N 2.78Å; Y836-Y840 WeakPolarHBondContact O-CD2 3.46Å
837	A	31.9	Very low	46.1	Very low	73 Å²	73	119.9 Å²	119.9	60%	0.603	58%	0.575	S	S	*	*	H	α-helix	trans	-55.6	-38.6	-180	0	0	0	0	0	112.7	R833 N839	R833-A837 PolarHBondContact O-N 3.46Å; A837-N839 VanDerWaalsContact C-N 3.27Å; A837-N839 PolarHBondContact O-N 3.34Å
838	T	29.4	Very low	42.9	Very low	105 Å²	105	132 Å²	132	64%	0.644	64%	0.635	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.3	-8.1	178.8	51.6	0	0	0	0	115.6	L834 L835 Y836	L834-T838 PolarHBondContact O-N 3.03Å; L834-T838 PolarHBondContact O-OG1 2.89Å; L835-T838 PolarHBondContact O-OG1 2.92Å; Y836-T838 PolarHBondContact O-N 2.91Å
839	N	28.7	Very low	40.5	Very low	104 Å²	104	136.6 Å²	136.6	56%	0.556	65%	0.654	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110.7	4.2	-177.3	-77	-73.2	0	0	0	114	L835 Y836 A837 S841	L835-N839 PolarHBondContact O-ND2 2.82Å; Y836-N839 PolarHBondContact O-N 2.78Å; A837-N839 VanDerWaalsContact C-N 3.27Å; A837-N839 PolarHBondContact O-N 3.34Å; N839-S841 VanDerWaalsContact C-N 3.34Å; N839-S841 PolarHBondContact O-N 2.86Å
840	Y	34.7	Very low	37.8	Very low	169 Å²	169	139.9 Å²	139.9	66%	0.663	67%	0.67	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.6	9.7	-174.6	-102.8	-74.8	0	0	0	116	Y836 D842	Y836-Y840 WeakPolarHBondContact O-CD2 3.46Å; Y840-D842 VanDerWaalsContact C-N 3.32Å; Y840-D842 PolarHBondContact O-N 2.99Å
841	S	31.1	Very low	35.1	Very low	98 Å²	98	146.2 Å²	146.2	69%	0.685	70%	0.699	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.9	-25.4	173.1	59.6	0	0	0	0	114.2	N839	N839-S841 VanDerWaalsContact C-N 3.34Å; N839-S841 PolarHBondContact O-N 2.86Å
842	D	27	Very low	32.7	Very low	130 Å²	130	147.5 Å²	147.5	70%	0.695	70%	0.701	S	S	*	*	S	Bend	trans	-106.9	-0.6	-162.2	-75.7	18.4	0	0	0	114.6	Y840 T844	Y840-D842 VanDerWaalsContact C-N 3.32Å; Y840-D842 PolarHBondContact O-N 2.99Å; D842-T844 PolarHBondContact O-N 3.39Å
843	Y	28.3	Very low	30.5	Very low	184 Å²	184	151.4 Å²	151.4	72%	0.722	72%	0.716	S	S	*	*			trans	-99.6	56.6	-177.7	-87.8	-76.2	0	0	0	114.4	Y845	Y843-Y845 VanDerWaalsContact C-N 3.25Å; Y843-Y845 PolarHBondContact O-N 3.06Å
844	T	25.6	Very low	28.9	Very low	128 Å²	128	154.9 Å²	154.9	79%	0.785	74%	0.739	S	S	*	*			trans	-77.4	65	168.5	47.9	0	0	0	0	112.6	D842	D842-T844 PolarHBondContact O-N 3.39Å
845	Y	24.3	Very low	28	Very low	191 Å²	191	157.4 Å²	157.4	75%	0.749	75%	0.747	S	S	*	*			trans	-151.3	161	162.6	-120.1	-87.6	0	0	0	111.2	Y843	Y843-Y845 VanDerWaalsContact C-N 3.25Å; Y843-Y845 PolarHBondContact O-N 3.06Å
846	W	24.9	Very low	27.9	Very low	228 Å²	228	160.4 Å²	160.4	86%	0.864	76%	0.756	S	S	*	*			trans	79	52.1	-175.3	-49.5	112.3	0	0	0	117
847	R	22.5	Very low	27.8	Very low	252 Å²	252	159.8 Å²	159.8	95%	0.951	76%	0.764	S	S	*	*			trans	-134.3	72.5	149.9	-140.5	-172.5	-155.1	-169.8	11.2	110.6
848	M	24.8	Very low	27.4	Very low	255 Å²	255	167.6 Å²	167.6	100%	1.256	78%	0.779	S	S	*	*			trans	-148.8	0	171	-94.2	-172.8	169.6	0	0	109.1

Retrieved 848 of 848 residues in 237.3 ms (Link to these results)

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