A0A077ZF04_TRITR Loading...

Death associated protein kinase 1

AlphaFold DB , UniProt , Accession A0A077ZF04, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 906 aa.

						>A0A077ZF04_TRITR|A0A077ZF04
MIPFKLFLAGETPLICSTIRGHLDCAFALKAAGVDFGETDGDGNSPLHLACKEGLSTLVRNLCQRGMDVDHVNQLGNAPLHIACQQNHLDIVKQLCLAECNVNLKDEDGRTGEMIASGRGHSEICELLKRVKQDSVRQCYIKQLVSCTGQPLRRIKLKLFGHSGVGKTRLLESLRTGLLGNLFRRFNEQAVTAVDEVLETPASTVWRRAVVLPPSHGNCTAGIEVTTSSFPTTFVPLRCGEGVFNQFSVQLDINNVKLEYTPRSSSLTRSIRGCAEFSTWEFSGYPTYHFLYDRFIGNPNCIHLVLFRATDPTEVKYHSVLFWMSLLKSCFSPENSISKSGVCQHRAVVILVATHVDMAEPAYSQTPDGEWRSSEAEALLKTIKLRFCNEFFIHDSIILVDTLQPSSPGIRTLKSLLLHHRSLILERLPSTSGFLESAVTTISQLRKQMASLPVLKWPDFLRYLHQLVNPLSSEFHCEHLAEQLQHIGEIVCVRSDNVYPESDFIVLNPNWLCHEIIGRLLSYEFLRNCRPTGIYTTDEILQLFPTVSDITEFSRLLEAVGLGTVIHSDGNDAFEFSSMNFSRPPPNLWEPVSTSFVYAGIRLVPRRGMDHLVRGLFLRVQNNLRRCLQQSKNPLDTELIQWQGGSKVSRGMIEGLLLLLNREHCLELRVRGPTDLNTDCFYFFEEILNLIERTVFDVSPGILLERHFLSPNDLSRHCSNVCVYTPNRIIEMQLEENVFIYSVDRKEQFLDIVCFGSREIAMSLKLGIDLKITAIPNSARRELASLLDPVDTMGRDWSILGAHLGLGNQLAEIESACGPEASTTDRVLSEWFLRNKDGATVGALLRCLKTMGRQDAVDILYRSIAPYLFVPMNCDFIDARNDSGVESHNSRSTVNTPDRSASTVST
					

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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	31.4	Very low	41.2	Very low	240 Å²	240	136.6 Å²	136.6	100%	1.182	72%	0.724	S	S	*	*				0	93.1	0	-170.5	-174.9	-65.3	0	0	107.2
2	I	28.4	Very low	43.8	Very low	141 Å²	141	126.4 Å²	126.4	72%	0.723	67%	0.671	S	S	*	*			trans	-101.7	127	177.7	-62.2	173.3	0	0	0	106.3	F4	I2-F4 PolarHBondContact O-N 3.15Å
3	P	36.5	Very low	46.2	Very low	112 Å²	112	119.8 Å²	119.8	73%	0.727	64%	0.64	S	S	*	*			trans	-76.9	107.9	-177.5	29.6	-32.7	0	0	0	110.6	K5	P3-K5 PolarHBondContact O-N 3.31Å
4	F	40.6	Very low	48.3	Very low	171 Å²	171	111.4 Å²	111.4	75%	0.75	60%	0.595	S	S	*	*			trans	-71.1	26.9	175.3	-80.1	-85	0	0	0	114	I2 L6	I2-F4 PolarHBondContact O-N 3.15Å; F4-L6 PolarHBondContact O-N 3.41Å
5	K	33.4	Very low	50	Low	156 Å²	156	103.9 Å²	103.9	68%	0.678	56%	0.555	S	S	*	*			trans	-100.9	59.4	-167.7	-156.8	160.1	-159.2	144.2	0	112	P3 E38	P3-K5 PolarHBondContact O-N 3.31Å; K5-E38 IonicContact NZ-OE1 3.46Å; K5-E38 PolarHBondContact NZ-OE1 3.1Å
6	L	31.4	Very low	51.8	Low	154 Å²	154	99.4 Å²	99.4	81%	0.806	53%	0.534	S	S	*	.			trans	-159.3	71.2	177.8	-115.4	164.5	0	0	0	112.9	F4	F4-L6 PolarHBondContact O-N 3.41Å
7	F	42.1	Very low	53.4	Low	147 Å²	147	94.2 Å²	94.2	65%	0.645	51%	0.507	S	S	*	.	S	Bend	trans	-114.1	151.4	147.3	-84.6	-88.1	0	0	0	108.8	G10	F7-G10 PolarHBondContact O-N 2.94Å
8	L	37.1	Very low	54.4	Low	160 Å²	160	89.1 Å²	89.1	84%	0.838	48%	0.479	S	S	*	.	G	3₁₀ helix	trans	-64.2	148.8	-175	-66.3	164.9	0	0	0	110.4	G10	L8-G10 PolarHBondContact O-N 2.92Å
9	A	52.5	Low	55.4	Low	93 Å²	93	87.7 Å²	87.7	77%	0.769	47%	0.471	S	S	*	.	G	3₁₀ helix	trans	62.3	9.2	-174.4	0	0	0	0	0	116.9
10	G	54.8	Low	56.6	Low	44 Å²	44	92.8 Å²	92.8	45%	0.454	48%	0.483	S	S	.	.	G	3₁₀ helix	trans	86.9	6.1	168.6	0	0	0	0	0	115.5	F7 L8 T12	F7-G10 PolarHBondContact O-N 2.94Å; L8-G10 PolarHBondContact O-N 2.92Å; G10-T12 PolarHBondContact O-N 2.92Å
11	E	64.7	Low	57.2	Low	85 Å²	85	89.6 Å²	89.6	40%	0.397	47%	0.473	S	S	.	.			trans	-60.6	125.5	171	-61.7	-174.5	-169	0	0	110.9	I15 C16	E11-I15 HydrophobicContact CB-CG2 4.01Å; E11-I15 HydrophobicContact CG-CG2 4.05Å; E11-C16 PolarHBondContact OE2-SG 3.16Å
12	T	73	Confident	59.5	Low	14 Å²	14	83 Å²	83	9%	0.086	44%	0.439	C	S	.	.			trans	-85.3	160.1	170.2	69.9	0	0	0	0	110.4	G10 L14 I15 C16 E38	G10-T12 PolarHBondContact O-N 2.92Å; T12-L14 PolarHBondContact O-N 2.69Å; T12-I15 HydrophobicContact CG2-CD1 4.17Å; T12-I15 WeakPolarHBondContact O-CA 3.22Å; T12-I15 WeakPolarHBondContact O-CB 3.03Å; T12-I15 PolarHBondContact O-N 3.27Å; T12-I15 PolarHBondContact OG1-N 3.13Å; T12-C16 PolarHBondContact O-N 3.02Å; T12-C16 PolarHBondContact O-SG 3.45Å; T12-C16 VanDerWaalsContact O-SG 3.34Å; T12-E38 HydrophobicContact CG2-CB 4.25Å
13	P	75.2	Confident	61.6	Low	41 Å²	41	78.6 Å²	78.6	27%	0.266	42%	0.416	S	S	.	.	H	α-helix	trans	-55.6	-28.5	174.5	-27.3	36.2	0	0	0	113.8	S17 L29	P13-S17 WeakPolarHBondContact O-CB 3.43Å; P13-S17 PolarHBondContact O-N 3.46Å; P13-S17 PolarHBondContact O-OG 2.94Å; P13-L29 VanDerWaalsContact C-CD1 3.48Å; P13-L29 HydrophobicContact CB-CD1 3.85Å; P13-L29 HydrophobicContact CB-CD2 4.1Å; P13-L29 WeakPolarHBondContact O-CD1 3.48Å
14	L	75.2	Confident	63.6	Low	1 Å²	1	79.5 Å²	79.5	1%	0.005	42%	0.415	C	S	.	.	H	α-helix	trans	-72.2	-38	175.6	-178	58.7	0	0	0	111.6	T12 S17 T18 A26 L29 V34 F36 P46	T12-L14 PolarHBondContact O-N 2.69Å; L14-S17 WeakPolarHBondContact CA-OG 3.42Å; L14-S17 PolarHBondContact O-OG 3.12Å; L14-T18 WeakPolarHBondContact O-CB 3.28Å; L14-T18 PolarHBondContact O-N 3.18Å; L14-T18 PolarHBondContact O-OG1 3.03Å; L14-A26 HydrophobicContact CD1-CB 3.94Å; L14-L29 HydrophobicContact CB-CD1 4.48Å; L14-L29 HydrophobicContact CD1-CB 4.42Å; L14-V34 HydrophobicContact CB-CG1 4.03Å; L14-V34 HydrophobicContact CD2-CB 4.48Å; L14-V34 HydrophobicContact CD2-CG1 3.8Å; L14-F36 HydrophobicContact CD1-CE1 4.23Å; L14-F36 HydrophobicContact CD2-CD1 3.76Å; L14-F36 HydrophobicContact CD2-CE1 4.01Å; L14-P46 HydrophobicContact CD2-CG 4.24Å; L14-P46 HydrophobicContact CG-CG 4.26Å
15	I	74.1	Confident	65.4	Low	0 Å²	0	74.3 Å²	74.3	0%	0	40%	0.399	C	S	.	.	H	α-helix	trans	-64.8	-50	172	-75	161.7	0	0	0	110.4	E11 T12 S17 T18 I19 D40 L49	E11-I15 HydrophobicContact CB-CG2 4.01Å; E11-I15 HydrophobicContact CG-CG2 4.05Å; T12-I15 HydrophobicContact CG2-CD1 4.17Å; T12-I15 WeakPolarHBondContact O-CA 3.22Å; T12-I15 WeakPolarHBondContact O-CB 3.03Å; T12-I15 PolarHBondContact O-N 3.27Å; T12-I15 PolarHBondContact OG1-N 3.13Å; I15-S17 PolarHBondContact O-N 3.14Å; I15-T18 WeakPolarHBondContact O-CB 3.21Å; I15-T18 PolarHBondContact O-N 3.12Å; I15-I19 HydrophobicContact CG2-CD1 3.68Å; I15-I19 HydrophobicContact CG2-CG1 4.49Å; I15-I19 WeakPolarHBondContact O-CG1 3.36Å; I15-I19 PolarHBondContact O-N 2.88Å; I15-D40 HydrophobicContact CD1-CB 4.02Å; I15-L49 HydrophobicContact CB-CD1 4.29Å; I15-L49 HydrophobicContact CG1-CD1 4.03Å; I15-L49 HydrophobicContact CG2-CD1 3.74Å
16	C	78.7	Confident	67.2	Low	32 Å²	32	67 Å²	67	22%	0.216	37%	0.368	C	S	.	.	H	α-helix	trans	-62	-39.9	179.9	-53.1	0	0	0	0	112.7	E11 T12 R20	E11-C16 PolarHBondContact OE2-SG 3.16Å; T12-C16 PolarHBondContact O-N 3.02Å; T12-C16 PolarHBondContact O-SG 3.45Å; T12-C16 VanDerWaalsContact O-SG 3.34Å; C16-R20 WeakPolarHBondContact O-CG 3.32Å; C16-R20 PolarHBondContact O-N 3.24Å
17	S	78.3	Confident	69.2	Low	11 Å²	11	61.7 Å²	61.7	8%	0.077	34%	0.338	C	S	.	.	H	α-helix	trans	-72.2	-34.7	176.1	48.5	0	0	0	0	112.9	P13 L14 I15 G21 H22 L29	P13-S17 WeakPolarHBondContact O-CB 3.43Å; P13-S17 PolarHBondContact O-N 3.46Å; P13-S17 PolarHBondContact O-OG 2.94Å; L14-S17 WeakPolarHBondContact CA-OG 3.42Å; L14-S17 PolarHBondContact O-OG 3.12Å; I15-S17 PolarHBondContact O-N 3.14Å; S17-G21 PolarHBondContact O-N 3.23Å; S17-H22 PolarHBondContact O-N 2.9Å; S17-L29 WeakPolarHBondContact OG-CD1 3.45Å
18	T	72.3	Confident	70.9	Confident	1 Å²	1	57.5 Å²	57.5	1%	0.006	33%	0.331	C	S	.	.	H	α-helix	trans	-60.4	-53.3	170.8	-65.8	0	0	0	0	111.5	L14 I15 R20 G21 P46 L49 A50 L55 L58	L14-T18 WeakPolarHBondContact O-CB 3.28Å; L14-T18 PolarHBondContact O-N 3.18Å; L14-T18 PolarHBondContact O-OG1 3.03Å; I15-T18 WeakPolarHBondContact O-CB 3.21Å; I15-T18 PolarHBondContact O-N 3.12Å; T18-R20 PolarHBondContact O-N 3.09Å; T18-G21 PolarHBondContact O-N 2.99Å; T18-P46 HydrophobicContact CG2-CB 4.34Å; T18-P46 WeakPolarHBondContact CG2-O 3.42Å; T18-L49 HydrophobicContact CG2-CB 3.98Å; T18-A50 HydrophobicContact CG2-CB 4.42Å; T18-L55 WeakPolarHBondContact O-CD1 3.24Å; T18-L58 HydrophobicContact CG2-CD2 3.82Å
19	I	72.7	Confident	72.6	Confident	64 Å²	64	52.1 Å²	52.1	33%	0.328	30%	0.303	S	S	.	.	H	α-helix	trans	-59	-36.1	-178.3	-68.7	166.3	0	0	0	111.6	I15 G21 L49	I15-I19 HydrophobicContact CG2-CD1 3.68Å; I15-I19 HydrophobicContact CG2-CG1 4.49Å; I15-I19 WeakPolarHBondContact O-CG1 3.36Å; I15-I19 PolarHBondContact O-N 2.88Å; I19-G21 VanDerWaalsContact C-N 3.32Å; I19-L49 HydrophobicContact CD1-CD1 4.19Å; I19-L49 HydrophobicContact CG1-CB 4.47Å; I19-L49 HydrophobicContact CG1-CD1 4.1Å
20	R	79.1	Confident	73.2	Confident	189 Å²	189	50.6 Å²	50.6	71%	0.713	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.2	-4.1	178.1	-65.5	-179.4	-176.2	-147.1	0.4	114.3	C16 T18 H22	C16-R20 WeakPolarHBondContact O-CG 3.32Å; C16-R20 PolarHBondContact O-N 3.24Å; T18-R20 PolarHBondContact O-N 3.09Å; R20-H22 PolarHBondContact O-CD2 3.09Å; R20-H22 VanDerWaalsContact O-CD2 3.29Å; R20-H22 PolarHBondContact O-N 2.75Å
21	G	70.4	Confident	74.1	Confident	25 Å²	25	52.9 Å²	52.9	26%	0.258	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	68.8	16.7	-175.6	0	0	0	0	0	114.6	S17 T18 I19 L23	S17-G21 PolarHBondContact O-N 3.23Å; T18-G21 PolarHBondContact O-N 2.99Å; I19-G21 VanDerWaalsContact C-N 3.32Å; G21-L23 VanDerWaalsContact C-N 3.26Å; G21-L23 PolarHBondContact O-N 2.94Å
22	H	80.1	Confident	74.6	Confident	101 Å²	101	52.9 Å²	52.9	47%	0.468	31%	0.308	S	S	.	.			trans	-76.6	75.9	179.9	-71.8	-154.7	0	0	0	110.2	S17 R20 D24 C25 A26	S17-H22 PolarHBondContact O-N 2.9Å; R20-H22 PolarHBondContact O-CD2 3.09Å; R20-H22 VanDerWaalsContact O-CD2 3.29Å; R20-H22 PolarHBondContact O-N 2.75Å; H22-D24 PolarHBondContact O-N 2.81Å; H22-C25 HydrophobicContact CB-CB 4Å; H22-C25 WeakPolarHBondContact O-CB 3.29Å; H22-C25 PolarHBondContact O-N 3.38Å; H22-C25 VanDerWaalsContact O-N 3.16Å; H22-A26 PolarHBondContact O-N 3.16Å
23	L	70.8	Confident	74.5	Confident	49 Å²	49	55.3 Å²	55.3	26%	0.257	34%	0.336	S	S	.	.	H	α-helix	trans	-52.3	-49.2	-172.4	-58.7	-176.9	0	0	0	112.7	G21 C25 A26 F27 T57 L58	G21-L23 VanDerWaalsContact C-N 3.26Å; G21-L23 PolarHBondContact O-N 2.94Å; L23-C25 VanDerWaalsContact C-N 3.33Å; L23-C25 PolarHBondContact O-N 2.84Å; L23-A26 PolarHBondContact O-N 2.83Å; L23-F27 HydrophobicContact CB-CD2 4.37Å; L23-F27 HydrophobicContact CB-CE2 3.9Å; L23-F27 WeakPolarHBondContact O-CD2 3.06Å; L23-F27 VanDerWaalsContact O-CG 3.3Å; L23-F27 WeakPolarHBondContact O-CG 3.13Å; L23-F27 PolarHBondContact O-N 3.08Å; L23-T57 HydrophobicContact CD1-CG2 4.17Å; L23-L58 HydrophobicContact CD2-CB 3.74Å; L23-L58 HydrophobicContact CD2-CD1 3.97Å; L23-L58 HydrophobicContact CD2-CD2 4.29Å; L23-L58 HydrophobicContact CD2-CG 4.2Å
24	D	78.4	Confident	74.3	Confident	132 Å²	132	55.1 Å²	55.1	71%	0.706	33%	0.334	S	S	*	.	H	α-helix	trans	-64.8	-37.3	-177	-57.6	-52.1	0	0	0	112.1	H22 F27 A28	H22-D24 PolarHBondContact O-N 2.81Å; D24-F27 PolarHBondContact O-N 2.65Å; D24-A28 WeakPolarHBondContact O-CB 3.46Å; D24-A28 PolarHBondContact O-N 3.05Å
25	C	79.1	Confident	73.9	Confident	61 Å²	61	59.6 Å²	59.6	41%	0.412	36%	0.358	S	S	.	.	H	α-helix	trans	-65.3	-44.1	173.5	-60.9	0	0	0	0	111.6	H22 L23 F27 A28 L29	H22-C25 HydrophobicContact CB-CB 4Å; H22-C25 WeakPolarHBondContact O-CB 3.29Å; H22-C25 PolarHBondContact O-N 3.38Å; H22-C25 VanDerWaalsContact O-N 3.16Å; L23-C25 VanDerWaalsContact C-N 3.33Å; L23-C25 PolarHBondContact O-N 2.84Å; C25-F27 VanDerWaalsContact C-N 3.34Å; C25-F27 PolarHBondContact O-N 3.3Å; C25-A28 PolarHBondContact O-N 3.12Å; C25-L29 WeakPolarHBondContact O-CB 3.4Å; C25-L29 WeakPolarHBondContact O-CD1 3.2Å; C25-L29 VanDerWaalsContact O-CG 3.24Å; C25-L29 WeakPolarHBondContact O-CG 3.46Å; C25-L29 PolarHBondContact O-N 3Å
26	A	70.5	Confident	73.5	Confident	2 Å²	2	60.5 Å²	60.5	2%	0.017	36%	0.361	C	S	.	.	H	α-helix	trans	-63.2	-40.3	177.6	0	0	0	0	0	111.7	L14 H22 L23 K30	L14-A26 HydrophobicContact CD1-CB 3.94Å; H22-A26 PolarHBondContact O-N 3.16Å; L23-A26 PolarHBondContact O-N 2.83Å; A26-K30 PolarHBondContact O-N 3.36Å; A26-K30 VanDerWaalsContact O-N 3.1Å
27	F	73.2	Confident	72.9	Confident	43 Å²	43	61.5 Å²	61.5	19%	0.189	38%	0.377	C	S	.	.	H	α-helix	trans	-71.4	-38.2	175.7	-60.4	-38	0	0	0	113	L23 D24 C25 K30 A31 L58 N61	L23-F27 HydrophobicContact CB-CD2 4.37Å; L23-F27 HydrophobicContact CB-CE2 3.9Å; L23-F27 WeakPolarHBondContact O-CD2 3.06Å; L23-F27 VanDerWaalsContact O-CG 3.3Å; L23-F27 WeakPolarHBondContact O-CG 3.13Å; L23-F27 PolarHBondContact O-N 3.08Å; D24-F27 PolarHBondContact O-N 2.65Å; C25-F27 VanDerWaalsContact C-N 3.34Å; C25-F27 PolarHBondContact O-N 3.3Å; F27-K30 PolarHBondContact O-N 2.96Å; F27-A31 WeakPolarHBondContact O-CB 2.98Å; F27-A31 PolarHBondContact O-N 3.41Å; F27-L58 HydrophobicContact CE1-CD1 4.17Å; F27-L58 HydrophobicContact CZ-CD1 4.27Å; F27-N61 HydrophobicContact CE1-CB 3.9Å; F27-N61 HydrophobicContact CZ-CB 3.63Å
28	A	78.1	Confident	72.5	Confident	60 Å²	60	64 Å²	64	50%	0.496	39%	0.388	S	S	.	.	H	α-helix	trans	-64	-41.4	174.5	0	0	0	0	0	111.9	D24 C25 K30 A31 A32	D24-A28 WeakPolarHBondContact O-CB 3.46Å; D24-A28 PolarHBondContact O-N 3.05Å; C25-A28 PolarHBondContact O-N 3.12Å; A28-K30 VanDerWaalsContact C-N 3.34Å; A28-K30 PolarHBondContact O-N 2.77Å; A28-A31 PolarHBondContact O-N 3.07Å; A28-A32 WeakPolarHBondContact O-CB 3.41Å; A28-A32 PolarHBondContact O-N 2.84Å
29	L	73.4	Confident	72.9	Confident	46 Å²	46	66.3 Å²	66.3	24%	0.241	40%	0.402	C	S	.	.	H	α-helix	trans	-62.8	-38.9	173.6	-72.9	166.5	0	0	0	111.9	P13 L14 S17 C25 A32 G33 V34	P13-L29 VanDerWaalsContact C-CD1 3.48Å; P13-L29 HydrophobicContact CB-CD1 3.85Å; P13-L29 HydrophobicContact CB-CD2 4.1Å; P13-L29 WeakPolarHBondContact O-CD1 3.48Å; L14-L29 HydrophobicContact CB-CD1 4.48Å; L14-L29 HydrophobicContact CD1-CB 4.42Å; S17-L29 WeakPolarHBondContact OG-CD1 3.45Å; C25-L29 WeakPolarHBondContact O-CB 3.4Å; C25-L29 WeakPolarHBondContact O-CD1 3.2Å; C25-L29 VanDerWaalsContact O-CG 3.24Å; C25-L29 WeakPolarHBondContact O-CG 3.46Å; C25-L29 PolarHBondContact O-N 3Å; L29-A32 PolarHBondContact O-N 3.39Å; L29-G33 PolarHBondContact O-N 3.46Å; L29-V34 HydrophobicContact CB-CG2 4.27Å; L29-V34 HydrophobicContact CD2-CG2 4.43Å; L29-V34 WeakPolarHBondContact O-CB 3.48Å; L29-V34 WeakPolarHBondContact O-CG2 3.45Å; L29-V34 PolarHBondContact O-N 3.48Å; L29-V34 VanDerWaalsContact O-N 3.17Å
30	K	65.2	Low	73.3	Confident	62 Å²	62	64.6 Å²	64.6	27%	0.27	39%	0.393	S	S	.	.	H	α-helix	trans	-66.2	-40.9	172.8	-173.6	57.1	173.9	-175.1	0	112.3	A26 F27 A28 A32 G33 V34 D35 F36	A26-K30 PolarHBondContact O-N 3.36Å; A26-K30 VanDerWaalsContact O-N 3.1Å; F27-K30 PolarHBondContact O-N 2.96Å; A28-K30 VanDerWaalsContact C-N 3.34Å; A28-K30 PolarHBondContact O-N 2.77Å; K30-A32 PolarHBondContact O-N 3.15Å; K30-G33 PolarHBondContact O-N 2.87Å; K30-V34 WeakPolarHBondContact CD-O 3.43Å; K30-V34 PolarHBondContact NZ-O 2.98Å; K30-D35 IonicContact NZ-OD1 3.57Å; K30-D35 PolarHBondContact NZ-OD1 2.57Å; K30-F36 HydrophobicContact CB-CE2 4.31Å; K30-F36 HydrophobicContact CB-CZ 3.91Å; K30-F36 HydrophobicContact CD-CD2 3.77Å; K30-F36 HydrophobicContact CD-CE1 4.44Å; K30-F36 HydrophobicContact CD-CE2 3.57Å; K30-F36 HydrophobicContact CD-CG 4.29Å; K30-F36 HydrophobicContact CD-CZ 3.92Å; K30-F36 HydrophobicContact CG-CD2 4.26Å; K30-F36 HydrophobicContact CG-CE2 3.53Å; K30-F36 HydrophobicContact CG-CZ 3.67Å
31	A	72.7	Confident	73.5	Confident	92 Å²	92	57.9 Å²	57.9	76%	0.76	38%	0.383	S	S	*	.	H	α-helix	trans	-64.2	-29.6	175.6	0	0	0	0	0	112.7	F27 A28 G33	F27-A31 WeakPolarHBondContact O-CB 2.98Å; F27-A31 PolarHBondContact O-N 3.41Å; A28-A31 PolarHBondContact O-N 3.07Å; A31-G33 PolarHBondContact O-N 2.99Å
32	A	77.1	Confident	74.1	Confident	85 Å²	85	61.6 Å²	61.6	70%	0.702	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76	-1.1	171.1	0	0	0	0	0	114.2	A28 L29 K30	A28-A32 WeakPolarHBondContact O-CB 3.41Å; A28-A32 PolarHBondContact O-N 2.84Å; L29-A32 PolarHBondContact O-N 3.39Å; K30-A32 PolarHBondContact O-N 3.15Å
33	G	70.8	Confident	74.5	Confident	64 Å²	64	57.1 Å²	57.1	66%	0.66	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	94.9	11	173.3	0	0	0	0	0	116.1	L29 K30 A31	L29-G33 PolarHBondContact O-N 3.46Å; K30-G33 PolarHBondContact O-N 2.87Å; A31-G33 PolarHBondContact O-N 2.99Å
34	V	69.3	Low	75.4	Confident	37 Å²	37	55.7 Å²	55.7	22%	0.224	37%	0.371	C	S	.	.			trans	-63.7	138.5	171.6	-178.5	0	0	0	0	109.6	L14 L29 K30	L14-V34 HydrophobicContact CB-CG1 4.03Å; L14-V34 HydrophobicContact CD2-CB 4.48Å; L14-V34 HydrophobicContact CD2-CG1 3.8Å; L29-V34 HydrophobicContact CB-CG2 4.27Å; L29-V34 HydrophobicContact CD2-CG2 4.43Å; L29-V34 WeakPolarHBondContact O-CB 3.48Å; L29-V34 WeakPolarHBondContact O-CG2 3.45Å; L29-V34 PolarHBondContact O-N 3.48Å; L29-V34 VanDerWaalsContact O-N 3.17Å; K30-V34 WeakPolarHBondContact CD-O 3.43Å; K30-V34 PolarHBondContact NZ-O 2.98Å
35	D	67.9	Low	75.8	Confident	96 Å²	96	49.5 Å²	49.5	51%	0.513	34%	0.338	S	S	.	.			trans	-84	147.7	179.6	-159.4	19.2	0	0	0	113.3	K30 G37	K30-D35 IonicContact NZ-OD1 3.57Å; K30-D35 PolarHBondContact NZ-OD1 2.57Å; D35-G37 VanDerWaalsContact C-N 3.27Å
36	F	66.1	Low	76.1	Confident	18 Å²	18	46.7 Å²	46.7	8%	0.079	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.4	-11.6	173.7	-79.2	-51.5	0	0	0	112.4	L14 K30 E38 P46 L62 M67	L14-F36 HydrophobicContact CD1-CE1 4.23Å; L14-F36 HydrophobicContact CD2-CD1 3.76Å; L14-F36 HydrophobicContact CD2-CE1 4.01Å; K30-F36 HydrophobicContact CB-CE2 4.31Å; K30-F36 HydrophobicContact CB-CZ 3.91Å; K30-F36 HydrophobicContact CD-CD2 3.77Å; K30-F36 HydrophobicContact CD-CE1 4.44Å; K30-F36 HydrophobicContact CD-CE2 3.57Å; K30-F36 HydrophobicContact CD-CG 4.29Å; K30-F36 HydrophobicContact CD-CZ 3.92Å; K30-F36 HydrophobicContact CG-CD2 4.26Å; K30-F36 HydrophobicContact CG-CE2 3.53Å; K30-F36 HydrophobicContact CG-CZ 3.67Å; F36-E38 VanDerWaalsContact C-N 3.34Å; F36-P46 HydrophobicContact CD1-CG 4.41Å; F36-P46 WeakPolarHBondContact O-CD 3.45Å; F36-L62 HydrophobicContact CD1-CD2 4.08Å; F36-L62 HydrophobicContact CE1-CD2 3.45Å; F36-L62 VanDerWaalsContact CE1-CD2 3.45Å; F36-L62 HydrophobicContact CE2-CD2 4.29Å; F36-L62 HydrophobicContact CZ-CD2 3.58Å; F36-M67 HydrophobicContact CB-CE 3.97Å; F36-M67 HydrophobicContact CB-CG 3.9Å; F36-M67 HydrophobicContact CB-SD 3.77Å; F36-M67 HydrophobicContact CD1-SD 3.86Å; F36-M67 HydrophobicContact CD2-CG 4.01Å; F36-M67 HydrophobicContact CD2-SD 4.23Å; F36-M67 HydrophobicContact CG-CG 4Å; F36-M67 HydrophobicContact CG-SD 3.73Å
37	G	65.5	Low	77	Confident	53 Å²	53	46.6 Å²	46.6	55%	0.546	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.2	-4	172.6	0	0	0	0	0	115.1	D35 T39	D35-G37 VanDerWaalsContact C-N 3.27Å; G37-T39 PolarHBondContact O-N 2.89Å
38	E	70.8	Confident	77.9	Confident	63 Å²	63	44.5 Å²	44.5	29%	0.294	31%	0.309	S	S	.	.			trans	-74.4	121.3	170.8	-69.6	-157.7	119.6	0	0	110.4	K5 T12 F36	K5-E38 IonicContact NZ-OE1 3.46Å; K5-E38 PolarHBondContact NZ-OE1 3.1Å; T12-E38 HydrophobicContact CG2-CB 4.25Å; F36-E38 VanDerWaalsContact C-N 3.34Å
39	T	80.6	Confident	78.5	Confident	51 Å²	51	41.8 Å²	41.8	31%	0.313	29%	0.286	S	S	.	.			trans	-102.4	164.3	178.8	56.5	0	0	0	0	112.2	G37 G43 N44	G37-T39 PolarHBondContact O-N 2.89Å; T39-G43 WeakPolarHBondContact CG2-O 3.17Å; T39-N44 VanDerWaalsContact CA-O 3.27Å; T39-N44 WeakPolarHBondContact CA-O 3.41Å; T39-N44 WeakPolarHBondContact CB-O 3.48Å
40	D	81.1	Confident	79.2	Confident	27 Å²	27	39.6 Å²	39.6	14%	0.144	28%	0.275	C	S	.	.			trans	-76.3	-176.2	167.9	71.4	9.9	0	0	0	112.8	I15 D42 G43 N44	I15-D40 HydrophobicContact CD1-CB 4.02Å; D40-D42 PolarHBondContact O-N 2.87Å; D40-D42 WeakPolarHBondContact OD1-CA 3.42Å; D40-D42 PolarHBondContact OD1-N 3.01Å; D40-G43 PolarHBondContact O-N 2.85Å; D40-G43 PolarHBondContact OD1-N 3.5Å; D40-G43 VanDerWaalsContact OD1-N 3.08Å; D40-N44 PolarHBondContact N-O 3.12Å; D40-N44 WeakPolarHBondContact OD1-CB 3.38Å; D40-N44 PolarHBondContact OD1-N 2.99Å; D40-N44 PolarHBondContact OD1-ND2 3.24Å; D40-N44 WeakPolarHBondContact OD2-CB 3.25Å; D40-N44 PolarHBondContact OD2-ND2 3.29Å
41	G	81.6	Confident	80.6	Confident	48 Å²	48	36.7 Å²	36.7	50%	0.495	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-19.3	179	0	0	0	0	0	115.7	Q74	G41-Q74 PolarHBondContact O-NE2 3.36Å
42	D	84.2	Confident	81.6	Confident	104 Å²	104	36.7 Å²	36.7	56%	0.556	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-98.8	1	177	-61.5	-27	0	0	0	111.8	D40 Q74	D40-D42 PolarHBondContact O-N 2.87Å; D40-D42 WeakPolarHBondContact OD1-CA 3.42Å; D40-D42 PolarHBondContact OD1-N 3.01Å; D42-Q74 VanDerWaalsContact C-NE2 3.27Å; D42-Q74 VanDerWaalsContact O-CB 3.24Å; D42-Q74 WeakPolarHBondContact O-CB 3.5Å; D42-Q74 VanDerWaalsContact O-CG 3.3Å; D42-Q74 WeakPolarHBondContact O-CG 3.33Å; D42-Q74 PolarHBondContact O-N 3.49Å
43	G	88.7	Confident	82.2	Confident	7 Å²	7	36.6 Å²	36.6	7%	0.072	23%	0.23	C	C	.	.			trans	81.2	12.8	-176.1	0	0	0	0	0	114.7	T39 D40 S45 N73	T39-G43 WeakPolarHBondContact CG2-O 3.17Å; D40-G43 PolarHBondContact O-N 2.85Å; D40-G43 PolarHBondContact OD1-N 3.5Å; D40-G43 VanDerWaalsContact OD1-N 3.08Å; G43-S45 PolarHBondContact O-N 3.25Å; G43-N73 WeakPolarHBondContact O-CA 3.37Å; G43-N73 WeakPolarHBondContact O-CB 3.46Å
44	N	88.5	Confident	83.1	Confident	18 Å²	18	34.7 Å²	34.7	10%	0.096	21%	0.211	C	C	.	.			trans	-72.6	122	174.9	-55.2	-59.2	0	0	0	109.9	T39 D40 H48 L49 N73	T39-N44 VanDerWaalsContact CA-O 3.27Å; T39-N44 WeakPolarHBondContact CA-O 3.41Å; T39-N44 WeakPolarHBondContact CB-O 3.48Å; D40-N44 PolarHBondContact N-O 3.12Å; D40-N44 WeakPolarHBondContact OD1-CB 3.38Å; D40-N44 PolarHBondContact OD1-N 2.99Å; D40-N44 PolarHBondContact OD1-ND2 3.24Å; D40-N44 WeakPolarHBondContact OD2-CB 3.25Å; D40-N44 PolarHBondContact OD2-ND2 3.29Å; N44-H48 HydrophobicContact CB-CB 3.79Å; N44-L49 HydrophobicContact CB-CD2 3.93Å; N44-L49 HydrophobicContact CB-CG 4.06Å; N44-N73 PolarHBondContact OD1-ND2 3.33Å
45	S	87.4	Confident	84	Confident	3 Å²	3	35 Å²	35	2%	0.021	21%	0.211	C	C	.	.			trans	-75.7	165.4	166.9	77.4	0	0	0	0	111	G43 L47 H48 L49	G43-S45 PolarHBondContact O-N 3.25Å; S45-L47 PolarHBondContact O-N 3.04Å; S45-H48 PolarHBondContact N-ND1 3.08Å; S45-H48 WeakPolarHBondContact O-CB 3.36Å; S45-H48 PolarHBondContact O-N 3.15Å; S45-H48 PolarHBondContact OG-ND1 3.38Å; S45-L49 PolarHBondContact O-N 2.9Å
46	P	85	Confident	85	Confident	1 Å²	1	32.6 Å²	32.6	1%	0.006	20%	0.201	C	C	.	.	H	α-helix	trans	-53.2	-27.9	175.4	-29.8	37.6	0	0	0	114.2	L14 T18 F36 A50 L62	L14-P46 HydrophobicContact CD2-CG 4.24Å; L14-P46 HydrophobicContact CG-CG 4.26Å; T18-P46 HydrophobicContact CG2-CB 4.34Å; T18-P46 WeakPolarHBondContact CG2-O 3.42Å; F36-P46 HydrophobicContact CD1-CG 4.41Å; F36-P46 WeakPolarHBondContact O-CD 3.45Å; P46-A50 WeakPolarHBondContact O-CB 3.42Å; P46-A50 PolarHBondContact O-N 2.81Å; P46-L62 HydrophobicContact CB-CD1 4.35Å
47	L	90.3	Very high	86	Confident	0 Å²	0	35.2 Å²	35.2	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-71.2	-37.5	174.6	-175.3	58.3	0	0	0	112.7	S45 L49 C51 V59 L62 M67 V69 P79 L95	S45-L47 PolarHBondContact O-N 3.04Å; L47-L49 VanDerWaalsContact C-N 3.34Å; L47-C51 VanDerWaalsContact O-CB 3.3Å; L47-C51 WeakPolarHBondContact O-CB 3.34Å; L47-C51 PolarHBondContact O-N 3.27Å; L47-C51 PolarHBondContact O-SG 3.03Å; L47-V59 HydrophobicContact CD1-CB 4.4Å; L47-V59 HydrophobicContact CD1-CG1 4.04Å; L47-V59 HydrophobicContact CD1-CG2 4.29Å; L47-L62 HydrophobicContact CB-CD1 4.24Å; L47-L62 HydrophobicContact CD1-CB 4.18Å; L47-L62 HydrophobicContact CD1-CD1 4.23Å; L47-M67 HydrophobicContact CB-CE 3.77Å; L47-M67 HydrophobicContact CB-SD 4.23Å; L47-M67 HydrophobicContact CD2-CB 4.49Å; L47-V69 HydrophobicContact CD2-CB 4.42Å; L47-V69 HydrophobicContact CD2-CG1 3.99Å; L47-P79 HydrophobicContact CB-CG 4.33Å; L47-P79 HydrophobicContact CD2-CB 4.34Å; L47-P79 HydrophobicContact CD2-CG 3.93Å; L47-P79 HydrophobicContact CG-CB 4Å; L47-P79 HydrophobicContact CG-CG 3.83Å; L47-L95 HydrophobicContact CD1-CD2 4.35Å; L47-L95 HydrophobicContact CD2-CD2 4.25Å
48	H	92.3	Very high	86.8	Confident	0 Å²	0	32.8 Å²	32.8	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-61.6	-44.9	173.6	-68.5	73.5	0	0	0	110.9	N44 S45 C51 K52 H71 N73 N77 I82	N44-H48 HydrophobicContact CB-CB 3.79Å; S45-H48 PolarHBondContact N-ND1 3.08Å; S45-H48 WeakPolarHBondContact O-CB 3.36Å; S45-H48 PolarHBondContact O-N 3.15Å; S45-H48 PolarHBondContact OG-ND1 3.38Å; H48-C51 CarbonylContact O-C 3.54Å; H48-C51 PolarHBondContact O-N 2.86Å; H48-K52 WeakPolarHBondContact O-CB 3.48Å; H48-K52 PolarHBondContact O-N 3.2Å; H48-H71 AromaticContact CE1-CD2 3.83Å; H48-H71 PolarHBondContact CE1-O 2.73Å; H48-H71 PolarHBondContact NE2-O 3.05Å; H48-N73 PolarHBondContact NE2-N 3.12Å; H48-N77 PolarHBondContact CD2-O 3.37Å; H48-N77 PolarHBondContact NE2-O 3.38Å; H48-I82 HydrophobicContact CB-CD1 3.83Å
49	L	89	Confident	87.7	Confident	3 Å²	3	29.8 Å²	29.8	2%	0.016	18%	0.179	C	C	.	.	H	α-helix	trans	-67	-45.3	179.4	-60.9	173.4	0	0	0	111.4	I15 T18 I19 N44 S45 L47 C51 K52 E53	I15-L49 HydrophobicContact CB-CD1 4.29Å; I15-L49 HydrophobicContact CG1-CD1 4.03Å; I15-L49 HydrophobicContact CG2-CD1 3.74Å; T18-L49 HydrophobicContact CG2-CB 3.98Å; I19-L49 HydrophobicContact CD1-CD1 4.19Å; I19-L49 HydrophobicContact CG1-CB 4.47Å; I19-L49 HydrophobicContact CG1-CD1 4.1Å; N44-L49 HydrophobicContact CB-CD2 3.93Å; N44-L49 HydrophobicContact CB-CG 4.06Å; S45-L49 PolarHBondContact O-N 2.9Å; L47-L49 VanDerWaalsContact C-N 3.34Å; L49-C51 VanDerWaalsContact C-N 3.26Å; L49-C51 PolarHBondContact O-N 3.5Å; L49-K52 WeakPolarHBondContact O-CB 3.28Å; L49-K52 PolarHBondContact O-N 2.88Å; L49-E53 WeakPolarHBondContact O-CG 3.24Å; L49-E53 PolarHBondContact O-N 3.35Å
50	A	89	Confident	88.1	Confident	0 Å²	0	31.8 Å²	31.8	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-60.6	-34.8	173.5	0	0	0	0	0	112.8	T18 P46 G54 L55 L58 V59 L62	T18-A50 HydrophobicContact CG2-CB 4.42Å; P46-A50 WeakPolarHBondContact O-CB 3.42Å; P46-A50 PolarHBondContact O-N 2.81Å; A50-G54 PolarHBondContact O-N 3.46Å; A50-L55 HydrophobicContact CB-CB 4.32Å; A50-L55 PolarHBondContact O-N 2.84Å; A50-L58 HydrophobicContact CB-CB 4.34Å; A50-L58 HydrophobicContact CB-CD2 4.01Å; A50-L58 HydrophobicContact CB-CG 4.06Å; A50-V59 HydrophobicContact CB-CG2 3.75Å; A50-L62 HydrophobicContact CB-CD1 4.27Å
51	C	94.3	Very high	88.2	Confident	0 Å²	0	32.2 Å²	32.2	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-73.7	-25.9	173.5	-71	0	0	0	0	113.9	L47 H48 L49 P79 I82 A83 H88 I91	L47-C51 VanDerWaalsContact O-CB 3.3Å; L47-C51 WeakPolarHBondContact O-CB 3.34Å; L47-C51 PolarHBondContact O-N 3.27Å; L47-C51 PolarHBondContact O-SG 3.03Å; H48-C51 CarbonylContact O-C 3.54Å; H48-C51 PolarHBondContact O-N 2.86Å; L49-C51 VanDerWaalsContact C-N 3.26Å; L49-C51 PolarHBondContact O-N 3.5Å; C51-P79 HydrophobicContact CB-CB 4.36Å; C51-I82 HydrophobicContact CB-CG2 4.35Å; C51-A83 HydrophobicContact CB-CB 4.42Å; C51-H88 PolarHBondContact O-CD2 3.19Å; C51-I91 HydrophobicContact CB-CG2 4.04Å; C51-I91 WeakPolarHBondContact SG-CG2 3.49Å
52	K	93.1	Very high	88.3	Confident	93 Å²	93	30 Å²	30	40%	0.404	16%	0.16	S	C	.	.	H	α-helix	trans	-75.8	-52	175.7	-177.2	-175.1	160	-145.4	0	111.1	H48 L49 G54 I82 H88	H48-K52 WeakPolarHBondContact O-CB 3.48Å; H48-K52 PolarHBondContact O-N 3.2Å; L49-K52 WeakPolarHBondContact O-CB 3.28Å; L49-K52 PolarHBondContact O-N 2.88Å; K52-G54 VanDerWaalsContact C-N 3.26Å; K52-G54 PolarHBondContact O-N 3.41Å; K52-I82 HydrophobicContact CB-CG2 3.74Å; K52-I82 HydrophobicContact CG-CG2 4.42Å; K52-H88 PolarHBondContact O-NE2 2.98Å; K52-H88 VanDerWaalsContact O-NE2 3.11Å
53	E	89.9	Confident	88.5	Confident	82 Å²	82	26 Å²	26	38%	0.383	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.5	8.7	-173.6	-48.8	-52.1	147.3	0	0	113.6	L49 L55	L49-E53 WeakPolarHBondContact O-CG 3.24Å; L49-E53 PolarHBondContact O-N 3.35Å; E53-L55 HydrophobicContact CB-CD1 4.33Å; E53-L55 HydrophobicContact CB-CG 4.2Å; E53-L55 PolarHBondContact O-N 3.26Å
54	G	90.7	Very high	88.3	Confident	25 Å²	25	32.4 Å²	32.4	26%	0.258	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	76.4	16.2	172.7	0	0	0	0	0	115.9	A50 K52 S56 H88	A50-G54 PolarHBondContact O-N 3.46Å; K52-G54 VanDerWaalsContact C-N 3.26Å; K52-G54 PolarHBondContact O-N 3.41Å; G54-S56 VanDerWaalsContact C-N 3.29Å; G54-S56 PolarHBondContact O-N 2.99Å; G54-H88 VanDerWaalsContact CA-CE1 3.43Å; G54-H88 WeakPolarHBondContact CA-CE1 3.27Å; G54-H88 WeakPolarHBondContact CA-NE2 3.46Å; G54-H88 PolarHBondContact N-NE2 3.34Å
55	L	88.8	Confident	87.8	Confident	43 Å²	43	37.3 Å²	37.3	23%	0.225	19%	0.185	C	C	.	.			trans	-80.3	65.8	-170.3	-58.7	176.6	0	0	0	112.9	T18 A50 E53 T57 L58 V59	T18-L55 WeakPolarHBondContact O-CD1 3.24Å; A50-L55 HydrophobicContact CB-CB 4.32Å; A50-L55 PolarHBondContact O-N 2.84Å; E53-L55 HydrophobicContact CB-CD1 4.33Å; E53-L55 HydrophobicContact CB-CG 4.2Å; E53-L55 PolarHBondContact O-N 3.26Å; L55-T57 VanDerWaalsContact C-N 3.32Å; L55-T57 PolarHBondContact O-N 2.67Å; L55-L58 HydrophobicContact CB-CB 3.96Å; L55-L58 HydrophobicContact CD1-CD2 4.13Å; L55-L58 WeakPolarHBondContact O-CA 3.25Å; L55-L58 WeakPolarHBondContact O-CB 3.39Å; L55-L58 PolarHBondContact O-N 3.5Å; L55-V59 PolarHBondContact O-N 2.82Å
56	S	88.4	Confident	87.4	Confident	45 Å²	45	40.4 Å²	40.4	32%	0.315	22%	0.218	S	C	.	.	H	α-helix	trans	-52.9	-40.4	-173.5	64.9	0	0	0	0	114.8	G54 L58 V59 R60	G54-S56 VanDerWaalsContact C-N 3.29Å; G54-S56 PolarHBondContact O-N 2.99Å; S56-L58 VanDerWaalsContact C-N 3.33Å; S56-L58 PolarHBondContact O-N 3.03Å; S56-V59 PolarHBondContact O-N 3.23Å; S56-R60 PolarHBondContact O-N 3.03Å
57	T	85.6	Confident	87.3	Confident	74 Å²	74	41.3 Å²	41.3	45%	0.454	22%	0.222	S	C	.	.	H	α-helix	trans	-65.1	-34.8	175.8	-51.4	0	0	0	0	112.5	L23 L55 N61	L23-T57 HydrophobicContact CD1-CG2 4.17Å; L55-T57 VanDerWaalsContact C-N 3.32Å; L55-T57 PolarHBondContact O-N 2.67Å; T57-N61 PolarHBondContact O-N 3.27Å; T57-N61 PolarHBondContact O-ND2 3.29Å
58	L	83.6	Confident	87.2	Confident	2 Å²	2	45.8 Å²	45.8	1%	0.01	25%	0.246	C	C	.	.	H	α-helix	trans	-73.9	-47.5	175.4	-175.7	52.9	0	0	0	110.5	T18 L23 F27 A50 L55 S56 R60 N61 L62	T18-L58 HydrophobicContact CG2-CD2 3.82Å; L23-L58 HydrophobicContact CD2-CB 3.74Å; L23-L58 HydrophobicContact CD2-CD1 3.97Å; L23-L58 HydrophobicContact CD2-CD2 4.29Å; L23-L58 HydrophobicContact CD2-CG 4.2Å; F27-L58 HydrophobicContact CE1-CD1 4.17Å; F27-L58 HydrophobicContact CZ-CD1 4.27Å; A50-L58 HydrophobicContact CB-CB 4.34Å; A50-L58 HydrophobicContact CB-CD2 4.01Å; A50-L58 HydrophobicContact CB-CG 4.06Å; L55-L58 HydrophobicContact CB-CB 3.96Å; L55-L58 HydrophobicContact CD1-CD2 4.13Å; L55-L58 WeakPolarHBondContact O-CA 3.25Å; L55-L58 WeakPolarHBondContact O-CB 3.39Å; L55-L58 PolarHBondContact O-N 3.5Å; S56-L58 VanDerWaalsContact C-N 3.33Å; S56-L58 PolarHBondContact O-N 3.03Å; L58-R60 VanDerWaalsContact C-N 3.3Å; L58-R60 PolarHBondContact O-N 3.37Å; L58-N61 CarbonylContact O-C 3.58Å; L58-N61 WeakPolarHBondContact O-CA 3.11Å; L58-N61 WeakPolarHBondContact O-CB 3.08Å; L58-N61 PolarHBondContact O-N 3.45Å; L58-L62 HydrophobicContact CD1-CD1 4.27Å; L58-L62 HydrophobicContact CD1-CD2 4.12Å; L58-L62 HydrophobicContact CD1-CG 3.95Å; L58-L62 HydrophobicContact CG-CD1 4.03Å; L58-L62 HydrophobicContact CG-CG 4.16Å; L58-L62 WeakPolarHBondContact O-CG 3.14Å; L58-L62 PolarHBondContact O-N 3.17Å
59	V	90.2	Very high	87.3	Confident	0 Å²	0	46.5 Å²	46.5	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-50.9	-49.7	175.3	171.7	0	0	0	0	111.1	L47 A50 L55 S56 N61 L62 C63 I91 Q94 L95	L47-V59 HydrophobicContact CD1-CB 4.4Å; L47-V59 HydrophobicContact CD1-CG1 4.04Å; L47-V59 HydrophobicContact CD1-CG2 4.29Å; A50-V59 HydrophobicContact CB-CG2 3.75Å; L55-V59 PolarHBondContact O-N 2.82Å; S56-V59 PolarHBondContact O-N 3.23Å; V59-N61 VanDerWaalsContact C-N 3.33Å; V59-N61 PolarHBondContact O-N 3.1Å; V59-L62 PolarHBondContact O-N 3.14Å; V59-C63 WeakPolarHBondContact O-CB 3.31Å; V59-C63 PolarHBondContact O-N 3.15Å; V59-C63 PolarHBondContact O-SG 2.96Å; V59-I91 HydrophobicContact CG1-CG2 4.16Å; V59-I91 HydrophobicContact CG2-CD1 3.98Å; V59-I91 HydrophobicContact CG2-CG1 4.13Å; V59-I91 HydrophobicContact CG2-CG2 4.11Å; V59-Q94 HydrophobicContact CG1-CB 3.92Å; V59-Q94 HydrophobicContact CG1-CG 4.49Å; V59-L95 HydrophobicContact CG1-CD2 4.37Å; V59-L95 HydrophobicContact CG1-CG 4.48Å
60	R	88.2	Confident	87.5	Confident	93 Å²	93	48.7 Å²	48.7	35%	0.351	26%	0.262	S	S	.	.	H	α-helix	trans	-55.5	-47.2	175.8	-175.5	-176.1	-62.6	153.7	8.8	111.8	S56 L58 L62 Q64 Q94	S56-R60 PolarHBondContact O-N 3.03Å; L58-R60 VanDerWaalsContact C-N 3.3Å; L58-R60 PolarHBondContact O-N 3.37Å; R60-L62 PolarHBondContact O-N 2.86Å; R60-Q64 WeakPolarHBondContact O-CB 3.49Å; R60-Q64 VanDerWaalsContact O-CG 3.24Å; R60-Q64 WeakPolarHBondContact O-CG 3.25Å; R60-Q64 PolarHBondContact O-N 3.18Å; R60-Q94 HydrophobicContact CB-CG 4.36Å
61	N	82.3	Confident	87.7	Confident	35 Å²	35	52.2 Å²	52.2	19%	0.187	28%	0.279	C	S	.	.	H	α-helix	trans	-67.3	-31.8	-179.2	-94.4	-81.8	0	0	0	114.1	F27 T57 L58 V59 R65	F27-N61 HydrophobicContact CE1-CB 3.9Å; F27-N61 HydrophobicContact CZ-CB 3.63Å; T57-N61 PolarHBondContact O-N 3.27Å; T57-N61 PolarHBondContact O-ND2 3.29Å; L58-N61 CarbonylContact O-C 3.58Å; L58-N61 WeakPolarHBondContact O-CA 3.11Å; L58-N61 WeakPolarHBondContact O-CB 3.08Å; L58-N61 PolarHBondContact O-N 3.45Å; V59-N61 VanDerWaalsContact C-N 3.33Å; V59-N61 PolarHBondContact O-N 3.1Å; N61-R65 WeakPolarHBondContact O-CD 3.49Å; N61-R65 VanDerWaalsContact O-CG 3.31Å; N61-R65 WeakPolarHBondContact O-CG 3.37Å; N61-R65 PolarHBondContact O-N 2.86Å; N61-R65 PolarHBondContact O-NH1 2.95Å; N61-R65 PolarHBondContact OD1-NH1 2.9Å
62	L	85.1	Confident	87.7	Confident	1 Å²	1	55.3 Å²	55.3	1%	0.005	30%	0.297	C	S	.	.	H	α-helix	trans	-75.4	-45	176.2	-66.9	-177.6	0	0	0	110.9	F36 P46 L47 A50 L58 V59 R60 Q64 R65 M67	F36-L62 HydrophobicContact CD1-CD2 4.08Å; F36-L62 HydrophobicContact CE1-CD2 3.45Å; F36-L62 VanDerWaalsContact CE1-CD2 3.45Å; F36-L62 HydrophobicContact CE2-CD2 4.29Å; F36-L62 HydrophobicContact CZ-CD2 3.58Å; P46-L62 HydrophobicContact CB-CD1 4.35Å; L47-L62 HydrophobicContact CB-CD1 4.24Å; L47-L62 HydrophobicContact CD1-CB 4.18Å; L47-L62 HydrophobicContact CD1-CD1 4.23Å; A50-L62 HydrophobicContact CB-CD1 4.27Å; L58-L62 HydrophobicContact CD1-CD1 4.27Å; L58-L62 HydrophobicContact CD1-CD2 4.12Å; L58-L62 HydrophobicContact CD1-CG 3.95Å; L58-L62 HydrophobicContact CG-CD1 4.03Å; L58-L62 HydrophobicContact CG-CG 4.16Å; L58-L62 WeakPolarHBondContact O-CG 3.14Å; L58-L62 PolarHBondContact O-N 3.17Å; V59-L62 PolarHBondContact O-N 3.14Å; R60-L62 PolarHBondContact O-N 2.86Å; L62-Q64 PolarHBondContact O-N 2.58Å; L62-R65 PolarHBondContact O-N 3.13Å; L62-R65 VanDerWaalsContact O-N 3.11Å; L62-M67 HydrophobicContact CB-CG 4.38Å; L62-M67 HydrophobicContact CB-SD 3.77Å; L62-M67 HydrophobicContact CD1-SD 3.96Å; L62-M67 HydrophobicContact CD2-SD 3.79Å; L62-M67 HydrophobicContact CG-SD 4.02Å; L62-M67 PolarHBondContact O-N 2.71Å
63	C	87.5	Confident	87.6	Confident	21 Å²	21	51.5 Å²	51.5	14%	0.142	28%	0.282	C	S	.	.	H	α-helix	trans	-60.1	-46.2	174.9	-63.5	0	0	0	0	111.6	V59 R65 G66 A98	V59-C63 WeakPolarHBondContact O-CB 3.31Å; V59-C63 PolarHBondContact O-N 3.15Å; V59-C63 PolarHBondContact O-SG 2.96Å; C63-R65 PolarHBondContact O-N 3.23Å; C63-R65 VanDerWaalsContact O-N 3.11Å; C63-G66 PolarHBondContact O-N 3.25Å; C63-A98 HydrophobicContact CB-CB 3.73Å
64	Q	84.1	Confident	87.7	Confident	142 Å²	142	53.8 Å²	53.8	66%	0.664	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-15.9	176.5	-76	175.6	-21.6	0	0	114.3	R60 L62	R60-Q64 WeakPolarHBondContact O-CB 3.49Å; R60-Q64 VanDerWaalsContact O-CG 3.24Å; R60-Q64 WeakPolarHBondContact O-CG 3.25Å; R60-Q64 PolarHBondContact O-N 3.18Å; L62-Q64 PolarHBondContact O-N 2.58Å
65	R	78.7	Confident	87.6	Confident	120 Å²	120	57.6 Å²	57.6	45%	0.453	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.6	6.9	174.9	-74.4	174.3	176.4	78.3	-7.4	113.2	N61 L62 C63	N61-R65 WeakPolarHBondContact O-CD 3.49Å; N61-R65 VanDerWaalsContact O-CG 3.31Å; N61-R65 WeakPolarHBondContact O-CG 3.37Å; N61-R65 PolarHBondContact O-N 2.86Å; N61-R65 PolarHBondContact O-NH1 2.95Å; N61-R65 PolarHBondContact OD1-NH1 2.9Å; L62-R65 PolarHBondContact O-N 3.13Å; L62-R65 VanDerWaalsContact O-N 3.11Å; C63-R65 PolarHBondContact O-N 3.23Å; C63-R65 VanDerWaalsContact O-N 3.11Å
66	G	79	Confident	87.8	Confident	68 Å²	68	56.1 Å²	56.1	70%	0.701	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.7	30.9	177.3	0	0	0	0	0	114.1	C63	C63-G66 PolarHBondContact O-N 3.25Å
67	M	82.6	Confident	88.2	Confident	21 Å²	21	54.7 Å²	54.7	10%	0.103	29%	0.29	C	S	.	.			trans	-62.2	144	164.1	-80.3	-163.3	66.5	0	0	110.6	F36 L47 L62 V69	F36-M67 HydrophobicContact CB-CE 3.97Å; F36-M67 HydrophobicContact CB-CG 3.9Å; F36-M67 HydrophobicContact CB-SD 3.77Å; F36-M67 HydrophobicContact CD1-SD 3.86Å; F36-M67 HydrophobicContact CD2-CG 4.01Å; F36-M67 HydrophobicContact CD2-SD 4.23Å; F36-M67 HydrophobicContact CG-CG 4Å; F36-M67 HydrophobicContact CG-SD 3.73Å; L47-M67 HydrophobicContact CB-CE 3.77Å; L47-M67 HydrophobicContact CB-SD 4.23Å; L47-M67 HydrophobicContact CD2-CB 4.49Å; L62-M67 HydrophobicContact CB-CG 4.38Å; L62-M67 HydrophobicContact CB-SD 3.77Å; L62-M67 HydrophobicContact CD1-SD 3.96Å; L62-M67 HydrophobicContact CD2-SD 3.79Å; L62-M67 HydrophobicContact CG-SD 4.02Å; L62-M67 PolarHBondContact O-N 2.71Å; M67-V69 PolarHBondContact O-N 3.4Å
68	D	89	Confident	88.7	Confident	93 Å²	93	51.2 Å²	51.2	50%	0.497	27%	0.269	S	S	.	.			trans	-63.2	118.2	169.6	-176.4	-2.6	0	0	0	109.9	D70 H71	D68-D70 PolarHBondContact OD1-N 3.35Å; D68-H71 HydrophobicContact CB-CB 4.09Å; D68-H71 PolarHBondContact OD1-N 3.48Å; D68-H71 PolarHBondContact OD2-N 3.36Å
69	V	93.6	Very high	89.3	Confident	15 Å²	15	51.1 Å²	51.1	9%	0.091	27%	0.268	C	S	.	.	S	Bend	trans	-90.2	-11.2	-178.6	-65.7	0	0	0	0	113.3	L47 M67 P79 L95 A98 C100	L47-V69 HydrophobicContact CD2-CB 4.42Å; L47-V69 HydrophobicContact CD2-CG1 3.99Å; M67-V69 PolarHBondContact O-N 3.4Å; V69-P79 WeakPolarHBondContact O-CD 3.24Å; V69-L95 HydrophobicContact CB-CD2 4.41Å; V69-L95 HydrophobicContact CG1-CD2 4.3Å; V69-A98 HydrophobicContact CG1-CB 3.91Å; V69-C100 HydrophobicContact CB-CB 3.91Å; V69-C100 HydrophobicContact CG2-CB 3.55Å
70	D	94.7	Very high	89.7	Confident	50 Å²	50	51.2 Å²	51.2	27%	0.267	27%	0.269	S	S	.	.	S	Bend	trans	-111.9	-4.3	-179.1	-73.8	-17.6	0	0	0	112.9	D68 V72 C100 N101 L104	D68-D70 PolarHBondContact OD1-N 3.35Å; D70-V72 PolarHBondContact O-N 3.18Å; D70-C100 WeakPolarHBondContact OD1-CA 3.38Å; D70-C100 WeakPolarHBondContact OD1-CB 3.3Å; D70-N101 PolarHBondContact OD1-N 3.08Å; D70-N101 WeakPolarHBondContact OD2-CB 3.44Å; D70-N101 PolarHBondContact OD2-N 3.09Å; D70-L104 HydrophobicContact CB-CD2 4.29Å
71	H	91.5	Very high	90.2	Very high	74 Å²	74	46.9 Å²	46.9	34%	0.343	25%	0.253	S	S	.	.			trans	-47.8	132	168.5	-172.2	72.9	0	0	0	110.8	H48 D68 A78 P79	H48-H71 AromaticContact CE1-CD2 3.83Å; H48-H71 PolarHBondContact CE1-O 2.73Å; H48-H71 PolarHBondContact NE2-O 3.05Å; D68-H71 HydrophobicContact CB-CB 4.09Å; D68-H71 PolarHBondContact OD1-N 3.48Å; D68-H71 PolarHBondContact OD2-N 3.36Å; H71-A78 WeakPolarHBondContact O-CA 3.39Å; H71-P79 VanDerWaalsContact O-CD 3.29Å; H71-P79 WeakPolarHBondContact O-CD 3.46Å
72	V	94.1	Very high	90.9	Very high	64 Å²	64	45.9 Å²	45.9	39%	0.388	25%	0.247	S	C	.	.			trans	-106.7	140.8	-178.9	-66.5	0	0	0	0	111.8	D70 G76 A78 L104	D70-V72 PolarHBondContact O-N 3.18Å; V72-G76 VanDerWaalsContact CG1-O 3.31Å; V72-G76 WeakPolarHBondContact CG1-O 3.31Å; V72-A78 HydrophobicContact CG1-CB 3.98Å; V72-L104 HydrophobicContact CG1-CD2 4.18Å
73	N	93.1	Very high	91.5	Very high	14 Å²	14	45.8 Å²	45.8	8%	0.075	25%	0.247	C	C	.	.			trans	-75.5	-176.8	168.8	75	4.1	0	0	0	112.4	G43 N44 H48 L75 G76 N77	G43-N73 WeakPolarHBondContact O-CA 3.37Å; G43-N73 WeakPolarHBondContact O-CB 3.46Å; N44-N73 PolarHBondContact OD1-ND2 3.33Å; H48-N73 PolarHBondContact NE2-N 3.12Å; N73-L75 PolarHBondContact O-N 3.21Å; N73-L75 WeakPolarHBondContact OD1-CB 3.43Å; N73-L75 PolarHBondContact OD1-N 2.9Å; N73-G76 PolarHBondContact O-N 3.36Å; N73-N77 PolarHBondContact N-O 2.99Å; N73-N77 WeakPolarHBondContact OD1-CB 3.42Å; N73-N77 PolarHBondContact OD1-N 3.28Å; N73-N77 PolarHBondContact OD1-O 2.97Å
74	Q	91.3	Very high	92	Very high	130 Å²	130	44.8 Å²	44.8	61%	0.607	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67	-3.7	-178.3	-66.1	175.2	44	0	0	114.9	G41 D42	G41-Q74 PolarHBondContact O-NE2 3.36Å; D42-Q74 VanDerWaalsContact C-NE2 3.27Å; D42-Q74 VanDerWaalsContact O-CB 3.24Å; D42-Q74 WeakPolarHBondContact O-CB 3.5Å; D42-Q74 VanDerWaalsContact O-CG 3.3Å; D42-Q74 WeakPolarHBondContact O-CG 3.33Å; D42-Q74 PolarHBondContact O-N 3.49Å
75	L	88.1	Confident	92.6	Very high	105 Å²	105	40.8 Å²	40.8	55%	0.55	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.5	16.3	174.2	-56.8	174.1	0	0	0	111.6	N73 N77	N73-L75 PolarHBondContact O-N 3.21Å; N73-L75 WeakPolarHBondContact OD1-CB 3.43Å; N73-L75 PolarHBondContact OD1-N 2.9Å; L75-N77 WeakPolarHBondContact CB-ND2 3.48Å; L75-N77 PolarHBondContact O-N 2.95Å; L75-N77 PolarHBondContact O-ND2 3.31Å
76	G	93.7	Very high	93.5	Very high	12 Å²	12	38.6 Å²	38.6	12%	0.124	22%	0.216	C	C	.	.	S	Bend	trans	64.7	6.3	-173.4	0	0	0	0	0	115	V72 N73 A78	V72-G76 VanDerWaalsContact CG1-O 3.31Å; V72-G76 WeakPolarHBondContact CG1-O 3.31Å; N73-G76 PolarHBondContact O-N 3.36Å; G76-A78 PolarHBondContact O-N 3.29Å
77	N	96.2	Very high	94.3	Very high	14 Å²	14	39.4 Å²	39.4	8%	0.075	20%	0.204	C	C	.	.			trans	-85.6	104.4	-175.4	-78.3	-92.1	0	0	0	110	H48 N73 L75 H81 I82	H48-N77 PolarHBondContact CD2-O 3.37Å; H48-N77 PolarHBondContact NE2-O 3.38Å; N73-N77 PolarHBondContact N-O 2.99Å; N73-N77 WeakPolarHBondContact OD1-CB 3.42Å; N73-N77 PolarHBondContact OD1-N 3.28Å; N73-N77 PolarHBondContact OD1-O 2.97Å; L75-N77 WeakPolarHBondContact CB-ND2 3.48Å; L75-N77 PolarHBondContact O-N 2.95Å; L75-N77 PolarHBondContact O-ND2 3.31Å; N77-H81 HydrophobicContact CB-CB 4.17Å; N77-H81 VanDerWaalsContact OD1-CB 3.3Å; N77-H81 WeakPolarHBondContact OD1-CB 3.02Å; N77-I82 HydrophobicContact CB-CG1 4.38Å
78	A	96.6	Very high	95	Very high	1 Å²	1	41.1 Å²	41.1	1%	0.008	21%	0.212	C	C	.	.			trans	-66.5	161.3	162.3	0	0	0	0	0	112.1	H71 V72 G76 L80 H81 L104	H71-A78 WeakPolarHBondContact O-CA 3.39Å; V72-A78 HydrophobicContact CG1-CB 3.98Å; G76-A78 PolarHBondContact O-N 3.29Å; A78-L80 PolarHBondContact O-N 2.87Å; A78-H81 PolarHBondContact N-ND1 3.05Å; A78-H81 VanDerWaalsContact N-ND1 3.18Å; A78-H81 WeakPolarHBondContact O-CB 3.24Å; A78-H81 PolarHBondContact O-N 2.86Å; A78-H81 PolarHBondContact O-ND1 3.32Å; A78-L104 HydrophobicContact CB-CD2 3.61Å
79	P	96.7	Very high	95.3	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-52.8	-30.8	-177	-27.9	33.7	0	0	0	115.1	L47 C51 V69 H71 I82 A83 L95	L47-P79 HydrophobicContact CB-CG 4.33Å; L47-P79 HydrophobicContact CD2-CB 4.34Å; L47-P79 HydrophobicContact CD2-CG 3.93Å; L47-P79 HydrophobicContact CG-CB 4Å; L47-P79 HydrophobicContact CG-CG 3.83Å; C51-P79 HydrophobicContact CB-CB 4.36Å; V69-P79 WeakPolarHBondContact O-CD 3.24Å; H71-P79 VanDerWaalsContact O-CD 3.29Å; H71-P79 WeakPolarHBondContact O-CD 3.46Å; P79-I82 PolarHBondContact O-N 2.9Å; P79-A83 PolarHBondContact O-N 3.07Å; P79-L95 HydrophobicContact CB-CD1 4.2Å; P79-L95 HydrophobicContact CB-CD2 4.23Å
80	L	97.9	Very high	95.3	Very high	3 Å²	3	42 Å²	42	2%	0.016	22%	0.216	C	C	.	.	H	α-helix	trans	-62.1	-43.1	175.3	-178.6	66.3	0	0	0	112.2	A78 I82 A83 C84 V92 L95 V102 L128	A78-L80 PolarHBondContact O-N 2.87Å; L80-I82 VanDerWaalsContact C-N 3.3Å; L80-I82 PolarHBondContact O-N 3.1Å; L80-A83 PolarHBondContact O-N 3.31Å; L80-C84 WeakPolarHBondContact O-CB 3.41Å; L80-C84 PolarHBondContact O-N 3.22Å; L80-C84 PolarHBondContact O-SG 2.96Å; L80-V92 HydrophobicContact CD1-CB 4.49Å; L80-V92 HydrophobicContact CD1-CG1 3.94Å; L80-V92 HydrophobicContact CD1-CG2 4.36Å; L80-L95 HydrophobicContact CB-CD1 4.21Å; L80-L95 HydrophobicContact CD1-CD1 4.3Å; L80-V102 HydrophobicContact CD2-CB 4.21Å; L80-V102 HydrophobicContact CD2-CG1 3.95Å; L80-L128 HydrophobicContact CD1-CD2 4.43Å
81	H	98.1	Very high	95.4	Very high	2 Å²	2	39.7 Å²	39.7	1%	0.009	20%	0.204	C	C	.	.	H	α-helix	trans	-60.7	-43.1	178.8	-59.1	98.9	0	0	0	110.6	N77 A78 C84 Q85 L104 I115	N77-H81 HydrophobicContact CB-CB 4.17Å; N77-H81 VanDerWaalsContact OD1-CB 3.3Å; N77-H81 WeakPolarHBondContact OD1-CB 3.02Å; A78-H81 PolarHBondContact N-ND1 3.05Å; A78-H81 VanDerWaalsContact N-ND1 3.18Å; A78-H81 WeakPolarHBondContact O-CB 3.24Å; A78-H81 PolarHBondContact O-N 2.86Å; A78-H81 PolarHBondContact O-ND1 3.32Å; H81-C84 PolarHBondContact O-N 2.89Å; H81-Q85 VanDerWaalsContact O-CB 3.29Å; H81-Q85 WeakPolarHBondContact O-CB 3.4Å; H81-Q85 PolarHBondContact O-N 2.79Å; H81-L104 PolarHBondContact NE2-O 3.46Å; H81-I115 HydrophobicContact CB-CD1 3.67Å
82	I	96.9	Very high	95.7	Very high	13 Å²	13	36.2 Å²	36.2	7%	0.067	19%	0.187	C	C	.	.	H	α-helix	trans	-63.6	-47.6	175.7	-62.1	-178.3	0	0	0	111.2	H48 C51 K52 N77 P79 L80 C84 Q85 Q86	H48-I82 HydrophobicContact CB-CD1 3.83Å; C51-I82 HydrophobicContact CB-CG2 4.35Å; K52-I82 HydrophobicContact CB-CG2 3.74Å; K52-I82 HydrophobicContact CG-CG2 4.42Å; N77-I82 HydrophobicContact CB-CG1 4.38Å; P79-I82 PolarHBondContact O-N 2.9Å; L80-I82 VanDerWaalsContact C-N 3.3Å; L80-I82 PolarHBondContact O-N 3.1Å; I82-C84 VanDerWaalsContact C-N 3.3Å; I82-C84 PolarHBondContact O-N 2.68Å; I82-Q85 WeakPolarHBondContact O-CA 3.22Å; I82-Q85 WeakPolarHBondContact O-CB 3.34Å; I82-Q85 PolarHBondContact O-N 3.15Å; I82-Q86 HydrophobicContact CG2-CG 4.36Å; I82-Q86 WeakPolarHBondContact O-CG 3.41Å; I82-Q86 PolarHBondContact O-N 2.96Å
83	A	97.7	Very high	95.8	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-59.8	-40.5	178.2	0	0	0	0	0	112.3	C51 P79 L80 N87 H88 I91 V92 L95	C51-A83 HydrophobicContact CB-CB 4.42Å; P79-A83 PolarHBondContact O-N 3.07Å; L80-A83 PolarHBondContact O-N 3.31Å; A83-N87 PolarHBondContact O-N 2.86Å; A83-H88 PolarHBondContact O-N 3.23Å; A83-H88 VanDerWaalsContact O-N 3.11Å; A83-I91 HydrophobicContact CB-CB 4.29Å; A83-I91 HydrophobicContact CB-CG2 3.53Å; A83-V92 HydrophobicContact CB-CG2 3.74Å; A83-L95 HydrophobicContact CB-CD1 4.09Å
84	C	98.1	Very high	95.9	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-66.5	-35.6	172.3	-65.1	0	0	0	0	112.9	L80 H81 I82 Q86 G112 I115 A116 H121 I124 L128	L80-C84 WeakPolarHBondContact O-CB 3.41Å; L80-C84 PolarHBondContact O-N 3.22Å; L80-C84 PolarHBondContact O-SG 2.96Å; H81-C84 PolarHBondContact O-N 2.89Å; I82-C84 VanDerWaalsContact C-N 3.3Å; I82-C84 PolarHBondContact O-N 2.68Å; C84-Q86 VanDerWaalsContact C-N 3.34Å; C84-G112 WeakPolarHBondContact CB-O 3.39Å; C84-I115 HydrophobicContact CB-CG2 4.44Å; C84-A116 HydrophobicContact CB-CB 4.23Å; C84-H121 PolarHBondContact O-ND1 2.72Å; C84-I124 HydrophobicContact CB-CG2 4.24Å; C84-L128 VanDerWaalsContact SG-CD1 3.6Å
85	Q	97.2	Very high	96.1	Very high	58 Å²	58	27.7 Å²	27.7	27%	0.271	14%	0.143	S	C	.	.	H	α-helix	trans	-68.1	-31.8	178.8	-169	-175.4	-45.3	0	0	112.9	H81 I82 I115 R119 H121	H81-Q85 VanDerWaalsContact O-CB 3.29Å; H81-Q85 WeakPolarHBondContact O-CB 3.4Å; H81-Q85 PolarHBondContact O-N 2.79Å; I82-Q85 WeakPolarHBondContact O-CA 3.22Å; I82-Q85 WeakPolarHBondContact O-CB 3.34Å; I82-Q85 PolarHBondContact O-N 3.15Å; Q85-I115 HydrophobicContact CB-CG2 3.93Å; Q85-I115 HydrophobicContact CG-CG2 4.37Å; Q85-R119 VanDerWaalsContact CG-CZ 3.4Å; Q85-R119 VanDerWaalsContact O-CD 3.27Å; Q85-R119 WeakPolarHBondContact O-CD 3.48Å; Q85-H121 PolarHBondContact O-CE1 3.13Å
86	Q	97.1	Very high	96.5	Very high	74 Å²	74	22.7 Å²	22.7	35%	0.346	12%	0.116	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.9	8.3	-174.5	-53.9	-61	0.8	0	0	114.3	I82 C84 H88	I82-Q86 HydrophobicContact CG2-CG 4.36Å; I82-Q86 WeakPolarHBondContact O-CG 3.41Å; I82-Q86 PolarHBondContact O-N 2.96Å; C84-Q86 VanDerWaalsContact C-N 3.34Å; Q86-H88 VanDerWaalsContact C-N 3.32Å; Q86-H88 VanDerWaalsContact CB-CD2 3.44Å; Q86-H88 WeakPolarHBondContact CB-CD2 3.39Å; Q86-H88 PolarHBondContact O-N 3.28Å
87	N	97.3	Very high	96.5	Very high	84 Å²	84	24 Å²	24	45%	0.449	12%	0.121	S	C	.	.	T	Hydrogen-bonded Turn	trans	64.1	22.3	179.8	-157.4	41.4	0	0	0	116.3	A83 L89 H121	A83-N87 PolarHBondContact O-N 2.86Å; N87-L89 PolarHBondContact O-N 3.3Å; N87-H121 WeakPolarHBondContact OD1-CB 3.35Å; N87-H121 VanDerWaalsContact OD1-CG 3.29Å
88	H	96.6	Very high	96.4	Very high	57 Å²	57	24.8 Å²	24.8	26%	0.264	13%	0.129	S	C	.	.			trans	-82.8	77.2	-176.7	-64.1	-53.1	0	0	0	112.3	C51 K52 G54 A83 Q86 D90 I91 V92	C51-H88 PolarHBondContact O-CD2 3.19Å; K52-H88 PolarHBondContact O-NE2 2.98Å; K52-H88 VanDerWaalsContact O-NE2 3.11Å; G54-H88 VanDerWaalsContact CA-CE1 3.43Å; G54-H88 WeakPolarHBondContact CA-CE1 3.27Å; G54-H88 WeakPolarHBondContact CA-NE2 3.46Å; G54-H88 PolarHBondContact N-NE2 3.34Å; A83-H88 PolarHBondContact O-N 3.23Å; A83-H88 VanDerWaalsContact O-N 3.11Å; Q86-H88 VanDerWaalsContact C-N 3.32Å; Q86-H88 VanDerWaalsContact CB-CD2 3.44Å; Q86-H88 WeakPolarHBondContact CB-CD2 3.39Å; Q86-H88 PolarHBondContact O-N 3.28Å; H88-D90 PolarHBondContact O-N 3Å; H88-I91 HydrophobicContact CB-CB 3.86Å; H88-I91 HydrophobicContact CB-CD1 3.87Å; H88-I91 HydrophobicContact CB-CG1 4.08Å; H88-I91 WeakPolarHBondContact O-CB 3.5Å; H88-I91 PolarHBondContact O-N 3.42Å; H88-V92 PolarHBondContact O-N 3.41Å
89	L	95.5	Very high	96.2	Very high	44 Å²	44	29.6 Å²	29.6	23%	0.23	15%	0.151	C	C	.	.	H	α-helix	trans	-52.5	-47.4	-174.2	179.5	64.5	0	0	0	113.9	N87 I91 V92 K93 E123 I124 L127	N87-L89 PolarHBondContact O-N 3.3Å; L89-I91 VanDerWaalsContact C-N 3.28Å; L89-I91 PolarHBondContact O-N 3.17Å; L89-V92 WeakPolarHBondContact O-CB 3.4Å; L89-V92 PolarHBondContact O-N 2.92Å; L89-K93 PolarHBondContact O-N 2.92Å; L89-E123 HydrophobicContact CD1-CB 4.42Å; L89-E123 HydrophobicContact CD2-CB 4.26Å; L89-I124 HydrophobicContact CB-CG1 4.22Å; L89-I124 HydrophobicContact CD1-CG1 3.74Å; L89-L127 HydrophobicContact CD1-CB 4.44Å; L89-L127 HydrophobicContact CD1-CD2 3.71Å
90	D	94	Very high	96.1	Very high	82 Å²	82	29.6 Å²	29.6	44%	0.439	15%	0.151	S	C	.	.	H	α-helix	trans	-69.1	-27	-179	-76.6	-43.9	0	0	0	113.1	H88 K93 Q94	H88-D90 PolarHBondContact O-N 3Å; D90-K93 WeakPolarHBondContact O-CB 3.43Å; D90-K93 PolarHBondContact O-N 3.42Å; D90-K93 IonicContact OD1-NZ 3.17Å; D90-K93 PolarHBondContact OD1-NZ 3.07Å; D90-Q94 VanDerWaalsContact O-CG 3.3Å; D90-Q94 WeakPolarHBondContact O-CG 3.44Å; D90-Q94 PolarHBondContact O-N 3.48Å
91	I	96.4	Very high	96	Very high	3 Å²	3	32.6 Å²	32.6	2%	0.015	17%	0.167	C	C	.	.	H	α-helix	trans	-69.4	-43.3	171.4	-69.6	-178.8	0	0	0	109.9	C51 V59 A83 H88 L89 K93 Q94 L95	C51-I91 HydrophobicContact CB-CG2 4.04Å; C51-I91 WeakPolarHBondContact SG-CG2 3.49Å; V59-I91 HydrophobicContact CG1-CG2 4.16Å; V59-I91 HydrophobicContact CG2-CD1 3.98Å; V59-I91 HydrophobicContact CG2-CG1 4.13Å; V59-I91 HydrophobicContact CG2-CG2 4.11Å; A83-I91 HydrophobicContact CB-CB 4.29Å; A83-I91 HydrophobicContact CB-CG2 3.53Å; H88-I91 HydrophobicContact CB-CB 3.86Å; H88-I91 HydrophobicContact CB-CD1 3.87Å; H88-I91 HydrophobicContact CB-CG1 4.08Å; H88-I91 WeakPolarHBondContact O-CB 3.5Å; H88-I91 PolarHBondContact O-N 3.42Å; L89-I91 VanDerWaalsContact C-N 3.28Å; L89-I91 PolarHBondContact O-N 3.17Å; I91-K93 VanDerWaalsContact C-N 3.28Å; I91-K93 PolarHBondContact O-N 3.23Å; I91-Q94 PolarHBondContact O-N 3.5Å; I91-Q94 VanDerWaalsContact O-N 3.11Å; I91-L95 HydrophobicContact CG2-CD1 4.11Å; I91-L95 HydrophobicContact CG2-CG 4.46Å; I91-L95 WeakPolarHBondContact O-CG 3.5Å; I91-L95 PolarHBondContact O-N 3.31Å
92	V	97.6	Very high	95.9	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-57.3	-42.7	171.5	175.9	0	0	0	0	110.7	L80 A83 H88 L89 L95 C96 I124 L127 L128	L80-V92 HydrophobicContact CD1-CB 4.49Å; L80-V92 HydrophobicContact CD1-CG1 3.94Å; L80-V92 HydrophobicContact CD1-CG2 4.36Å; A83-V92 HydrophobicContact CB-CG2 3.74Å; H88-V92 PolarHBondContact O-N 3.41Å; L89-V92 WeakPolarHBondContact O-CB 3.4Å; L89-V92 PolarHBondContact O-N 2.92Å; V92-L95 PolarHBondContact O-N 3.38Å; V92-C96 WeakPolarHBondContact O-CB 3.33Å; V92-C96 PolarHBondContact O-N 2.9Å; V92-C96 PolarHBondContact O-SG 3.11Å; V92-I124 HydrophobicContact CG1-CG2 4.33Å; V92-I124 HydrophobicContact CG2-CD1 4.06Å; V92-I124 HydrophobicContact CG2-CG1 4.29Å; V92-I124 HydrophobicContact CG2-CG2 4.07Å; V92-L127 HydrophobicContact CB-CD2 4.41Å; V92-L127 HydrophobicContact CG1-CD2 3.83Å; V92-L128 HydrophobicContact CG1-CD2 4Å; V92-L128 HydrophobicContact CG1-CG 4.29Å
93	K	96.2	Very high	95.8	Very high	13 Å²	13	36 Å²	36	6%	0.057	19%	0.186	C	C	.	.	H	α-helix	trans	-60.6	-47.3	172.2	-66.5	-178.9	-174.4	172	0	112.2	L89 D90 I91 L95 C96 L97 L127 H465 P470 L471 S472	L89-K93 PolarHBondContact O-N 2.92Å; D90-K93 WeakPolarHBondContact O-CB 3.43Å; D90-K93 PolarHBondContact O-N 3.42Å; D90-K93 IonicContact OD1-NZ 3.17Å; D90-K93 PolarHBondContact OD1-NZ 3.07Å; I91-K93 VanDerWaalsContact C-N 3.28Å; I91-K93 PolarHBondContact O-N 3.23Å; K93-L95 PolarHBondContact O-N 3.16Å; K93-C96 PolarHBondContact O-N 2.98Å; K93-L97 WeakPolarHBondContact O-CB 3.5Å; K93-L97 VanDerWaalsContact O-CG 3.27Å; K93-L97 WeakPolarHBondContact O-CG 3.14Å; K93-L97 PolarHBondContact O-N 3.46Å; K93-L127 HydrophobicContact CG-CD2 3.76Å; K93-H465 PolarHBondContact NZ-NE2 2.89Å; K93-P470 WeakPolarHBondContact CE-O 3.43Å; K93-L471 HydrophobicContact CB-CD2 4.35Å; K93-L471 HydrophobicContact CG-CD2 4.4Å; K93-S472 WeakPolarHBondContact CD-O 3.26Å; K93-S472 WeakPolarHBondContact CE-O 3.48Å; K93-S472 PolarHBondContact NZ-O 3.41Å
94	Q	94.6	Very high	95.7	Very high	16 Å²	16	38.1 Å²	38.1	8%	0.075	20%	0.197	C	C	.	.	H	α-helix	trans	-60.3	-43.5	179.7	-65	-38.7	-97.8	0	0	111.7	V59 R60 D90 I91 L97 A98	V59-Q94 HydrophobicContact CG1-CB 3.92Å; V59-Q94 HydrophobicContact CG1-CG 4.49Å; R60-Q94 HydrophobicContact CB-CG 4.36Å; D90-Q94 VanDerWaalsContact O-CG 3.3Å; D90-Q94 WeakPolarHBondContact O-CG 3.44Å; D90-Q94 PolarHBondContact O-N 3.48Å; I91-Q94 PolarHBondContact O-N 3.5Å; I91-Q94 VanDerWaalsContact O-N 3.11Å; Q94-L97 PolarHBondContact O-N 2.77Å; Q94-A98 WeakPolarHBondContact O-CB 3.38Å; Q94-A98 PolarHBondContact O-N 3.32Å
95	L	96.4	Very high	95.6	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-65.3	-40.9	177.9	-67	171.2	0	0	0	111.7	L47 V59 V69 P79 L80 A83 I91 V92 K93 L97 A98 E99 C100	L47-L95 HydrophobicContact CD1-CD2 4.35Å; L47-L95 HydrophobicContact CD2-CD2 4.25Å; V59-L95 HydrophobicContact CG1-CD2 4.37Å; V59-L95 HydrophobicContact CG1-CG 4.48Å; V69-L95 HydrophobicContact CB-CD2 4.41Å; V69-L95 HydrophobicContact CG1-CD2 4.3Å; P79-L95 HydrophobicContact CB-CD1 4.2Å; P79-L95 HydrophobicContact CB-CD2 4.23Å; L80-L95 HydrophobicContact CB-CD1 4.21Å; L80-L95 HydrophobicContact CD1-CD1 4.3Å; A83-L95 HydrophobicContact CB-CD1 4.09Å; I91-L95 HydrophobicContact CG2-CD1 4.11Å; I91-L95 HydrophobicContact CG2-CG 4.46Å; I91-L95 WeakPolarHBondContact O-CG 3.5Å; I91-L95 PolarHBondContact O-N 3.31Å; V92-L95 PolarHBondContact O-N 3.38Å; K93-L95 PolarHBondContact O-N 3.16Å; L95-L97 VanDerWaalsContact C-N 3.33Å; L95-L97 PolarHBondContact O-N 3.11Å; L95-A98 CarbonylContact O-C 3.56Å; L95-A98 VanDerWaalsContact O-C 3.32Å; L95-A98 WeakPolarHBondContact O-CA 3.12Å; L95-A98 PolarHBondContact O-N 3.31Å; L95-A98 VanDerWaalsContact O-N 3.09Å; L95-E99 PolarHBondContact O-N 2.79Å; L95-C100 HydrophobicContact CB-CB 4.43Å; L95-C100 PolarHBondContact O-N 2.94Å; L95-C100 PolarHBondContact O-SG 3.38Å
96	C	96	Very high	95.5	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-66.7	-32.3	175.3	-68.1	0	0	0	0	113.1	V92 K93 A98 E99 L471	V92-C96 WeakPolarHBondContact O-CB 3.33Å; V92-C96 PolarHBondContact O-N 2.9Å; V92-C96 PolarHBondContact O-SG 3.11Å; K93-C96 PolarHBondContact O-N 2.98Å; C96-A98 VanDerWaalsContact C-N 3.29Å; C96-E99 PolarHBondContact O-N 3.4Å; C96-L471 HydrophobicContact CB-CD1 4.29Å; C96-L471 HydrophobicContact CB-CD2 3.5Å
97	L	93.9	Very high	95.3	Very high	41 Å²	41	44.9 Å²	44.9	22%	0.215	23%	0.227	C	C	.	.	H	α-helix	trans	-71.9	-24.2	171.2	-70.9	169.5	0	0	0	112.5	K93 Q94 L95 E99 I141 L144 L471	K93-L97 WeakPolarHBondContact O-CB 3.5Å; K93-L97 VanDerWaalsContact O-CG 3.27Å; K93-L97 WeakPolarHBondContact O-CG 3.14Å; K93-L97 PolarHBondContact O-N 3.46Å; Q94-L97 PolarHBondContact O-N 2.77Å; L95-L97 VanDerWaalsContact C-N 3.33Å; L95-L97 PolarHBondContact O-N 3.11Å; L97-E99 VanDerWaalsContact C-N 3.25Å; L97-I141 HydrophobicContact CD2-CG1 4.3Å; L97-L144 HydrophobicContact CD2-CD1 3.75Å; L97-L471 HydrophobicContact CD2-CB 3.95Å; L97-L471 HydrophobicContact CD2-CD1 4.24Å; L97-L471 HydrophobicContact CG-CB 4.33Å
98	A	93.2	Very high	95.1	Very high	30 Å²	30	46.4 Å²	46.4	25%	0.248	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.6	18	171	0	0	0	0	0	113	C63 V69 Q94 L95 C96 C100	C63-A98 HydrophobicContact CB-CB 3.73Å; V69-A98 HydrophobicContact CG1-CB 3.91Å; Q94-A98 WeakPolarHBondContact O-CB 3.38Å; Q94-A98 PolarHBondContact O-N 3.32Å; L95-A98 CarbonylContact O-C 3.56Å; L95-A98 VanDerWaalsContact O-C 3.32Å; L95-A98 WeakPolarHBondContact O-CA 3.12Å; L95-A98 PolarHBondContact O-N 3.31Å; L95-A98 VanDerWaalsContact O-N 3.09Å; C96-A98 VanDerWaalsContact C-N 3.29Å; A98-C100 VanDerWaalsContact C-N 3.29Å; A98-C100 PolarHBondContact O-N 3.46Å
99	E	93.5	Very high	95	Very high	102 Å²	102	45 Å²	45	48%	0.477	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	65.8	12.6	170.8	-58.9	-172.3	-129.1	0	0	117.3	L95 C96 L97 R137 Q138 I141	L95-E99 PolarHBondContact O-N 2.79Å; C96-E99 PolarHBondContact O-N 3.4Å; L97-E99 VanDerWaalsContact C-N 3.25Å; E99-R137 PolarHBondContact O-NH2 2.71Å; E99-Q138 PolarHBondContact OE2-NE2 3.47Å; E99-I141 HydrophobicContact CG-CD1 3.77Å
100	C	94.2	Very high	95	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	24%	0.242	C	C	.	.			trans	-51.3	147	-178.6	76	0	0	0	0	114.6	V69 D70 L95 A98 V102 R137	V69-C100 HydrophobicContact CB-CB 3.91Å; V69-C100 HydrophobicContact CG2-CB 3.55Å; D70-C100 WeakPolarHBondContact OD1-CA 3.38Å; D70-C100 WeakPolarHBondContact OD1-CB 3.3Å; L95-C100 HydrophobicContact CB-CB 4.43Å; L95-C100 PolarHBondContact O-N 2.94Å; L95-C100 PolarHBondContact O-SG 3.38Å; A98-C100 VanDerWaalsContact C-N 3.29Å; A98-C100 PolarHBondContact O-N 3.46Å; C100-V102 PolarHBondContact O-N 2.94Å; C100-R137 PolarHBondContact O-NH1 3.31Å
101	N	95.3	Very high	95.1	Very high	66 Å²	66	43.8 Å²	43.8	35%	0.353	22%	0.223	S	C	.	.			trans	-73.2	91.9	-178.5	-177.5	5.8	0	0	0	112.6	D70 N103 L104	D70-N101 PolarHBondContact OD1-N 3.08Å; D70-N101 WeakPolarHBondContact OD2-CB 3.44Å; D70-N101 PolarHBondContact OD2-N 3.09Å; N101-N103 PolarHBondContact O-N 2.86Å; N101-N103 PolarHBondContact OD1-N 3.19Å; N101-L104 HydrophobicContact CB-CB 4.1Å; N101-L104 WeakPolarHBondContact O-CB 3.3Å; N101-L104 PolarHBondContact O-N 3.3Å; N101-L104 PolarHBondContact OD1-N 3.04Å
102	V	96	Very high	95.1	Very high	9 Å²	9	43.7 Å²	43.7	6%	0.055	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-9.8	176.3	-61.3	0	0	0	0	115.1	L80 C100 L128 V131	L80-V102 HydrophobicContact CD2-CB 4.21Å; L80-V102 HydrophobicContact CD2-CG1 3.95Å; C100-V102 PolarHBondContact O-N 2.94Å; V102-L128 HydrophobicContact CB-CD2 4.16Å; V102-L128 HydrophobicContact CG1-CD2 3.78Å; V102-V131 HydrophobicContact CG1-CG2 4.24Å
103	N	95.5	Very high	95.1	Very high	76 Å²	76	45.1 Å²	45.1	41%	0.406	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.5	4.5	174.6	-63.3	-75.8	0	0	0	112.8	N101 K132	N101-N103 PolarHBondContact O-N 2.86Å; N101-N103 PolarHBondContact OD1-N 3.19Å; N103-K132 PolarHBondContact ND2-O 2.74Å; N103-K132 VanDerWaalsContact ND2-O 3.09Å; N103-K132 WeakPolarHBondContact OD1-CE 3.34Å; N103-K132 WeakPolarHBondContact OD1-CG 3.33Å
104	L	95.3	Very high	95.1	Very high	46 Å²	46	49.1 Å²	49.1	24%	0.241	25%	0.25	C	C	.	.			trans	-59.8	156.7	168.3	-167	64.8	0	0	0	110	D70 V72 A78 H81 N101 T111	D70-L104 HydrophobicContact CB-CD2 4.29Å; V72-L104 HydrophobicContact CG1-CD2 4.18Å; A78-L104 HydrophobicContact CB-CD2 3.61Å; H81-L104 PolarHBondContact NE2-O 3.46Å; N101-L104 HydrophobicContact CB-CB 4.1Å; N101-L104 WeakPolarHBondContact O-CB 3.3Å; N101-L104 PolarHBondContact O-N 3.3Å; N101-L104 PolarHBondContact OD1-N 3.04Å; L104-T111 WeakPolarHBondContact O-CA 3.36Å; L104-T111 WeakPolarHBondContact O-CG2 3.18Å
105	K	95.7	Very high	95.2	Very high	117 Å²	117	48.9 Å²	48.9	51%	0.509	25%	0.249	S	C	.	.			trans	-128.1	145.7	-177.8	-68.6	177.8	164.3	-143.4	0	111.4	G109 R110 T111	K105-G109 VanDerWaalsContact CD-O 3.26Å; K105-G109 WeakPolarHBondContact CD-O 3.29Å; K105-G109 VanDerWaalsContact CE-O 3.24Å; K105-G109 WeakPolarHBondContact CE-O 3.42Å; K105-G109 PolarHBondContact NZ-O 2.88Å; K105-R110 VanDerWaalsContact CA-O 3.24Å; K105-R110 WeakPolarHBondContact CA-O 3.31Å; K105-T111 HydrophobicContact CG-CG2 4Å
106	D	94.4	Very high	95.3	Very high	10 Å²	10	48.9 Å²	48.9	5%	0.053	25%	0.249	C	C	.	.			trans	-75.2	179.1	164.3	64.8	15.7	0	0	0	112.2	D108 G109 R110 I115	D106-D108 VanDerWaalsContact C-N 3.25Å; D106-D108 PolarHBondContact O-N 2.99Å; D106-D108 WeakPolarHBondContact OD1-CA 3.34Å; D106-D108 WeakPolarHBondContact OD1-CB 3.17Å; D106-D108 PolarHBondContact OD1-N 2.81Å; D106-G109 WeakPolarHBondContact O-CA 3.27Å; D106-G109 PolarHBondContact O-N 2.91Å; D106-G109 PolarHBondContact OD1-N 3.36Å; D106-G109 VanDerWaalsContact OD1-N 3.08Å; D106-R110 PolarHBondContact N-O 2.88Å; D106-R110 WeakPolarHBondContact OD1-CA 3.39Å; D106-R110 WeakPolarHBondContact OD1-CB 3.45Å; D106-R110 PolarHBondContact OD1-N 3.2Å; D106-R110 IonicContact OD1-NE 2.68Å; D106-R110 IonicContact OD2-CZ 2.66Å; D106-R110 IonicContact OD2-NE 2.68Å; D106-R110 PolarHBondContact OD2-NE 2.81Å; D106-R110 IonicContact OD2-NH2 3.25Å; D106-R110 PolarHBondContact OD2-NH2 2.66Å; D106-I115 WeakPolarHBondContact OD2-CD1 3.18Å
107	E	93.5	Very high	95.3	Very high	146 Å²	146	52.4 Å²	52.4	68%	0.682	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-28.4	178.8	-66.6	-173.6	132.2	0	0	113.5	G109	E107-G109 PolarHBondContact O-N 3.27Å
108	D	93.1	Very high	95.4	Very high	117 Å²	117	53.8 Å²	53.8	63%	0.626	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.9	-0.1	171.7	-74	-49.6	0	0	0	112.3	D106 R110	D106-D108 VanDerWaalsContact C-N 3.25Å; D106-D108 PolarHBondContact O-N 2.99Å; D106-D108 WeakPolarHBondContact OD1-CA 3.34Å; D106-D108 WeakPolarHBondContact OD1-CB 3.17Å; D106-D108 PolarHBondContact OD1-N 2.81Å; D108-R110 VanDerWaalsContact C-N 3.29Å; D108-R110 HydrophobicContact CB-CG 3.98Å; D108-R110 VanDerWaalsContact CB-CZ 3.47Å; D108-R110 PolarHBondContact O-N 2.88Å; D108-R110 IonicContact OD2-CZ 2.97Å; D108-R110 IonicContact OD2-NH1 2.67Å; D108-R110 PolarHBondContact OD2-NH1 2.78Å; D108-R110 IonicContact OD2-NH2 3.35Å; D108-R110 PolarHBondContact OD2-NH2 3.25Å
109	G	94.5	Very high	95.5	Very high	28 Å²	28	59 Å²	59	29%	0.289	31%	0.311	S	S	.	.	S	Bend	trans	75.7	12.6	178.4	0	0	0	0	0	114.6	K105 D106 E107	K105-G109 VanDerWaalsContact CD-O 3.26Å; K105-G109 WeakPolarHBondContact CD-O 3.29Å; K105-G109 VanDerWaalsContact CE-O 3.24Å; K105-G109 WeakPolarHBondContact CE-O 3.42Å; K105-G109 PolarHBondContact NZ-O 2.88Å; D106-G109 WeakPolarHBondContact O-CA 3.27Å; D106-G109 PolarHBondContact O-N 2.91Å; D106-G109 PolarHBondContact OD1-N 3.36Å; D106-G109 VanDerWaalsContact OD1-N 3.08Å; E107-G109 PolarHBondContact O-N 3.27Å
110	R	96.1	Very high	95.7	Very high	93 Å²	93	56.9 Å²	56.9	35%	0.351	32%	0.317	S	S	.	.			trans	-89.6	140.4	-178.2	-51.5	179	-65.3	-119.5	-10.1	110.8	K105 D106 D108 M114 I115	K105-R110 VanDerWaalsContact CA-O 3.24Å; K105-R110 WeakPolarHBondContact CA-O 3.31Å; D106-R110 PolarHBondContact N-O 2.88Å; D106-R110 WeakPolarHBondContact OD1-CA 3.39Å; D106-R110 WeakPolarHBondContact OD1-CB 3.45Å; D106-R110 PolarHBondContact OD1-N 3.2Å; D106-R110 IonicContact OD1-NE 2.68Å; D106-R110 IonicContact OD2-CZ 2.66Å; D106-R110 IonicContact OD2-NE 2.68Å; D106-R110 PolarHBondContact OD2-NE 2.81Å; D106-R110 IonicContact OD2-NH2 3.25Å; D106-R110 PolarHBondContact OD2-NH2 2.66Å; D108-R110 VanDerWaalsContact C-N 3.29Å; D108-R110 HydrophobicContact CB-CG 3.98Å; D108-R110 VanDerWaalsContact CB-CZ 3.47Å; D108-R110 PolarHBondContact O-N 2.88Å; D108-R110 IonicContact OD2-CZ 2.97Å; D108-R110 IonicContact OD2-NH1 2.67Å; D108-R110 PolarHBondContact OD2-NH1 2.78Å; D108-R110 IonicContact OD2-NH2 3.35Å; D108-R110 PolarHBondContact OD2-NH2 3.25Å; R110-M114 HydrophobicContact CB-CB 4.05Å; R110-M114 HydrophobicContact CB-SD 4.49Å; R110-I115 HydrophobicContact CB-CG1 4.1Å
111	T	96.4	Very high	95.8	Very high	7 Å²	7	58.5 Å²	58.5	4%	0.043	32%	0.324	C	S	.	.			trans	-85.8	165.9	166.3	64.7	0	0	0	0	111	L104 K105 E113 M114 I115	L104-T111 WeakPolarHBondContact O-CA 3.36Å; L104-T111 WeakPolarHBondContact O-CG2 3.18Å; K105-T111 HydrophobicContact CG-CG2 4Å; T111-E113 PolarHBondContact O-N 3.47Å; T111-E113 VanDerWaalsContact O-N 3.16Å; T111-M114 WeakPolarHBondContact O-CA 3.23Å; T111-M114 WeakPolarHBondContact O-CB 3.43Å; T111-M114 PolarHBondContact O-N 2.87Å; T111-I115 PolarHBondContact O-N 3.47Å
112	G	95.7	Very high	95.9	Very high	0 Å²	0	59.2 Å²	59.2	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-52.8	-34.3	172.3	0	0	0	0	0	114.1	C84 I115 A116	C84-G112 WeakPolarHBondContact CB-O 3.39Å; G112-I115 PolarHBondContact O-N 3.03Å; G112-A116 WeakPolarHBondContact O-CB 3.33Å; G112-A116 PolarHBondContact O-N 3.15Å
113	E	96.9	Very high	95.8	Very high	31 Å²	31	65 Å²	65	15%	0.145	36%	0.361	C	S	.	.	H	α-helix	trans	-61.9	-42.4	173.5	-174.3	-166.9	161.5	0	0	111.8	T111 S117 L128 K129 K132	T111-E113 PolarHBondContact O-N 3.47Å; T111-E113 VanDerWaalsContact O-N 3.16Å; E113-S117 VanDerWaalsContact O-CB 3.28Å; E113-S117 WeakPolarHBondContact O-CB 3.42Å; E113-S117 PolarHBondContact O-N 3.19Å; E113-L128 HydrophobicContact CB-CB 4.11Å; E113-L128 HydrophobicContact CB-CD1 4.21Å; E113-L128 HydrophobicContact CG-CB 4.38Å; E113-K129 HydrophobicContact CG-CG 4.44Å; E113-K129 VanDerWaalsContact OE1-CG 3.29Å; E113-K129 WeakPolarHBondContact OE1-CG 3.48Å; E113-K132 IonicContact OE1-NZ 3.23Å; E113-K132 WeakPolarHBondContact OE2-CE 3.39Å; E113-K132 IonicContact OE2-NZ 3.83Å; E113-K132 PolarHBondContact OE2-NZ 2.92Å
114	M	97.2	Very high	95.9	Very high	97 Å²	97	61.4 Å²	61.4	48%	0.478	34%	0.342	S	S	.	.	H	α-helix	trans	-69.7	-38.1	178.9	-65.4	169.5	173.6	0	0	111.6	R110 T111 G118	R110-M114 HydrophobicContact CB-CB 4.05Å; R110-M114 HydrophobicContact CB-SD 4.49Å; T111-M114 WeakPolarHBondContact O-CA 3.23Å; T111-M114 WeakPolarHBondContact O-CB 3.43Å; T111-M114 PolarHBondContact O-N 2.87Å; M114-G118 PolarHBondContact O-N 3.12Å
115	I	96.8	Very high	95.9	Very high	10 Å²	10	59.5 Å²	59.5	5%	0.051	33%	0.332	C	S	.	.	H	α-helix	trans	-64.6	-47.7	174.3	-63.9	176.2	0	0	0	110.7	H81 C84 Q85 D106 R110 T111 G112 G118 R119	H81-I115 HydrophobicContact CB-CD1 3.67Å; C84-I115 HydrophobicContact CB-CG2 4.44Å; Q85-I115 HydrophobicContact CB-CG2 3.93Å; Q85-I115 HydrophobicContact CG-CG2 4.37Å; D106-I115 WeakPolarHBondContact OD2-CD1 3.18Å; R110-I115 HydrophobicContact CB-CG1 4.1Å; T111-I115 PolarHBondContact O-N 3.47Å; G112-I115 PolarHBondContact O-N 3.03Å; I115-G118 PolarHBondContact O-N 3.35Å; I115-R119 PolarHBondContact O-N 3.28Å
116	A	97.2	Very high	95.9	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	33%	0.328	C	S	.	.	H	α-helix	trans	-59.8	-47.5	176.4	0	0	0	0	0	111.4	C84 G112 G118 R119 G120 H121 I124 C125	C84-A116 HydrophobicContact CB-CB 4.23Å; G112-A116 WeakPolarHBondContact O-CB 3.33Å; G112-A116 PolarHBondContact O-N 3.15Å; A116-G118 VanDerWaalsContact C-N 3.35Å; A116-G118 PolarHBondContact O-N 3.49Å; A116-R119 PolarHBondContact O-N 2.76Å; A116-G120 PolarHBondContact O-N 3.14Å; A116-G120 VanDerWaalsContact O-N 3.1Å; A116-H121 HydrophobicContact CB-CB 4.07Å; A116-H121 PolarHBondContact O-N 3.06Å; A116-I124 HydrophobicContact CB-CB 4.04Å; A116-I124 HydrophobicContact CB-CG2 3.56Å; A116-C125 HydrophobicContact CB-CB 4.47Å
117	S	97	Very high	96	Very high	74 Å²	74	58.2 Å²	58.2	52%	0.517	33%	0.328	S	S	.	.	H	α-helix	trans	-63.1	-38.7	177.5	-164.9	0	0	0	0	112.7	E113 R119 G120	E113-S117 VanDerWaalsContact O-CB 3.28Å; E113-S117 WeakPolarHBondContact O-CB 3.42Å; E113-S117 PolarHBondContact O-N 3.19Å; S117-R119 PolarHBondContact O-N 3.04Å; S117-G120 PolarHBondContact O-N 3.27Å
118	G	96.1	Very high	96.2	Very high	71 Å²	71	51.4 Å²	51.4	73%	0.732	30%	0.296	S	S	*	.	H	α-helix	trans	-68.8	-17.9	177.7	0	0	0	0	0	114.3	M114 I115 A116	M114-G118 PolarHBondContact O-N 3.12Å; I115-G118 PolarHBondContact O-N 3.35Å; A116-G118 VanDerWaalsContact C-N 3.35Å; A116-G118 PolarHBondContact O-N 3.49Å
119	R	96.2	Very high	96.2	Very high	138 Å²	138	50.3 Å²	50.3	52%	0.521	29%	0.286	S	S	.	.	H	α-helix	trans	-104.6	-0.9	174.7	-67.6	-176.8	174.2	-115	-5.8	114.1	Q85 I115 A116 S117 H121	Q85-R119 VanDerWaalsContact CG-CZ 3.4Å; Q85-R119 VanDerWaalsContact O-CD 3.27Å; Q85-R119 WeakPolarHBondContact O-CD 3.48Å; I115-R119 PolarHBondContact O-N 3.28Å; A116-R119 PolarHBondContact O-N 2.76Å; S117-R119 PolarHBondContact O-N 3.04Å; R119-H121 VanDerWaalsContact C-N 3.34Å
120	G	96.2	Very high	96.2	Very high	58 Å²	58	53.5 Å²	53.5	60%	0.598	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.9	14	-177.9	0	0	0	0	0	114.8	A116 S117 S122	A116-G120 PolarHBondContact O-N 3.14Å; A116-G120 VanDerWaalsContact O-N 3.1Å; S117-G120 PolarHBondContact O-N 3.27Å; G120-S122 PolarHBondContact O-N 3.03Å
121	H	97.8	Very high	96.2	Very high	34 Å²	34	49 Å²	49	16%	0.157	27%	0.272	C	S	.	.			trans	-75.8	73.2	178.7	-57.7	162.4	0	0	0	110.6	C84 Q85 N87 A116 R119 E123 I124 C125	C84-H121 PolarHBondContact O-ND1 2.72Å; Q85-H121 PolarHBondContact O-CE1 3.13Å; N87-H121 WeakPolarHBondContact OD1-CB 3.35Å; N87-H121 VanDerWaalsContact OD1-CG 3.29Å; A116-H121 HydrophobicContact CB-CB 4.07Å; A116-H121 PolarHBondContact O-N 3.06Å; R119-H121 VanDerWaalsContact C-N 3.34Å; H121-E123 PolarHBondContact O-N 2.69Å; H121-I124 HydrophobicContact CB-CB 4.43Å; H121-I124 HydrophobicContact CB-CD1 4.45Å; H121-I124 PolarHBondContact O-N 2.72Å; H121-C125 WeakPolarHBondContact O-CB 3.24Å; H121-C125 PolarHBondContact O-N 2.93Å
122	S	95.6	Very high	96.1	Very high	81 Å²	81	52.3 Å²	52.3	57%	0.566	29%	0.286	S	S	*	.	H	α-helix	trans	-59	-43.8	-169.5	54.5	0	0	0	0	113.7	G120 I124 C125 E126	G120-S122 PolarHBondContact O-N 3.03Å; S122-I124 PolarHBondContact O-N 2.93Å; S122-C125 WeakPolarHBondContact O-CB 3.44Å; S122-C125 PolarHBondContact O-N 2.91Å; S122-E126 PolarHBondContact O-N 3.09Å
123	E	94.1	Very high	96	Very high	131 Å²	131	58.6 Å²	58.6	61%	0.612	32%	0.315	S	S	*	.	H	α-helix	trans	-65.8	-39.4	-178	-58.3	-165.7	149.2	0	0	112.5	L89 H121 E126 L127	L89-E123 HydrophobicContact CD1-CB 4.42Å; L89-E123 HydrophobicContact CD2-CB 4.26Å; H121-E123 PolarHBondContact O-N 2.69Å; E123-E126 PolarHBondContact O-N 3.35Å; E123-L127 VanDerWaalsContact O-CB 3.29Å; E123-L127 WeakPolarHBondContact O-CB 3.45Å; E123-L127 PolarHBondContact O-N 2.82Å
124	I	97.4	Very high	95.8	Very high	0 Å²	0	60.9 Å²	60.9	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-66.9	-40.4	173.6	-68.3	174.5	0	0	0	110.5	C84 L89 V92 A116 H121 S122 L127 L128	C84-I124 HydrophobicContact CB-CG2 4.24Å; L89-I124 HydrophobicContact CB-CG1 4.22Å; L89-I124 HydrophobicContact CD1-CG1 3.74Å; V92-I124 HydrophobicContact CG1-CG2 4.33Å; V92-I124 HydrophobicContact CG2-CD1 4.06Å; V92-I124 HydrophobicContact CG2-CG1 4.29Å; V92-I124 HydrophobicContact CG2-CG2 4.07Å; A116-I124 HydrophobicContact CB-CB 4.04Å; A116-I124 HydrophobicContact CB-CG2 3.56Å; H121-I124 HydrophobicContact CB-CB 4.43Å; H121-I124 HydrophobicContact CB-CD1 4.45Å; H121-I124 PolarHBondContact O-N 2.72Å; S122-I124 PolarHBondContact O-N 2.93Å; I124-L127 PolarHBondContact O-N 3.31Å; I124-L128 HydrophobicContact CG2-CD1 3.94Å; I124-L128 HydrophobicContact CG2-CG 4.39Å; I124-L128 WeakPolarHBondContact O-CB 3.43Å; I124-L128 WeakPolarHBondContact O-CG 3.24Å; I124-L128 PolarHBondContact O-N 2.93Å
125	C	96.3	Very high	95.7	Very high	6 Å²	6	60.4 Å²	60.4	4%	0.041	33%	0.334	C	S	.	.	H	α-helix	trans	-61.4	-46.1	176.5	-170.5	0	0	0	0	111.6	A116 H121 S122 L128 K129	A116-C125 HydrophobicContact CB-CB 4.47Å; H121-C125 WeakPolarHBondContact O-CB 3.24Å; H121-C125 PolarHBondContact O-N 2.93Å; S122-C125 WeakPolarHBondContact O-CB 3.44Å; S122-C125 PolarHBondContact O-N 2.91Å; C125-L128 PolarHBondContact O-N 3.22Å; C125-K129 VanDerWaalsContact O-CG 3.28Å; C125-K129 WeakPolarHBondContact O-CG 3.47Å; C125-K129 PolarHBondContact O-N 3.1Å; C125-K129 WeakPolarHBondContact SG-CE 3.25Å; C125-K129 PolarHBondContact SG-NZ 3.1Å
126	E	95	Very high	95.6	Very high	93 Å²	93	62.2 Å²	62.2	44%	0.435	35%	0.346	S	S	.	.	H	α-helix	trans	-69.5	-36.4	176.2	-69.4	-54.2	121.9	0	0	113.4	S122 E123 K129 R130	S122-E126 PolarHBondContact O-N 3.09Å; E123-E126 PolarHBondContact O-N 3.35Å; E126-K129 WeakPolarHBondContact OE1-CD 3.01Å; E126-K129 IonicContact OE1-NZ 2.73Å; E126-K129 PolarHBondContact OE1-NZ 3.17Å; E126-R130 WeakPolarHBondContact O-CD 3.5Å; E126-R130 VanDerWaalsContact O-CG 3.27Å; E126-R130 WeakPolarHBondContact O-CG 3.31Å; E126-R130 PolarHBondContact O-N 3.27Å
127	L	96.5	Very high	95.5	Very high	8 Å²	8	63.1 Å²	63.1	4%	0.042	35%	0.349	C	S	.	.	H	α-helix	trans	-59.6	-51.4	171.6	173.3	60.3	0	0	0	110.8	L89 V92 K93 E123 I124 K129 R130 V131 P470 L471	L89-L127 HydrophobicContact CD1-CB 4.44Å; L89-L127 HydrophobicContact CD1-CD2 3.71Å; V92-L127 HydrophobicContact CB-CD2 4.41Å; V92-L127 HydrophobicContact CG1-CD2 3.83Å; K93-L127 HydrophobicContact CG-CD2 3.76Å; E123-L127 VanDerWaalsContact O-CB 3.29Å; E123-L127 WeakPolarHBondContact O-CB 3.45Å; E123-L127 PolarHBondContact O-N 2.82Å; I124-L127 PolarHBondContact O-N 3.31Å; L127-K129 PolarHBondContact O-N 3.09Å; L127-R130 WeakPolarHBondContact O-CB 3.18Å; L127-R130 PolarHBondContact O-N 3.44Å; L127-R130 VanDerWaalsContact O-N 3.1Å; L127-V131 HydrophobicContact CD1-CG1 4.26Å; L127-V131 PolarHBondContact O-N 2.95Å; L127-V131 VanDerWaalsContact O-N 3.1Å; L127-P470 HydrophobicContact CD1-CB 3.82Å; L127-P470 HydrophobicContact CD1-CG 4.25Å; L127-L471 HydrophobicContact CD1-CD2 3.97Å
128	L	97.3	Very high	95.4	Very high	3 Å²	3	61.1 Å²	61.1	2%	0.016	33%	0.332	C	S	.	.	H	α-helix	trans	-65.3	-39	-176.8	-71.9	177.4	0	0	0	112.5	L80 C84 V92 V102 E113 I124 C125 R130 V131 K132	L80-L128 HydrophobicContact CD1-CD2 4.43Å; C84-L128 VanDerWaalsContact SG-CD1 3.6Å; V92-L128 HydrophobicContact CG1-CD2 4Å; V92-L128 HydrophobicContact CG1-CG 4.29Å; V102-L128 HydrophobicContact CB-CD2 4.16Å; V102-L128 HydrophobicContact CG1-CD2 3.78Å; E113-L128 HydrophobicContact CB-CB 4.11Å; E113-L128 HydrophobicContact CB-CD1 4.21Å; E113-L128 HydrophobicContact CG-CB 4.38Å; I124-L128 HydrophobicContact CG2-CD1 3.94Å; I124-L128 HydrophobicContact CG2-CG 4.39Å; I124-L128 WeakPolarHBondContact O-CB 3.43Å; I124-L128 WeakPolarHBondContact O-CG 3.24Å; I124-L128 PolarHBondContact O-N 2.93Å; C125-L128 PolarHBondContact O-N 3.22Å; L128-R130 VanDerWaalsContact C-N 3.29Å; L128-R130 PolarHBondContact O-N 3.27Å; L128-V131 HydrophobicContact CD2-CG2 4.17Å; L128-V131 CarbonylContact O-C 3.53Å; L128-V131 PolarHBondContact O-N 3.34Å; L128-K132 WeakPolarHBondContact O-CB 3.26Å; L128-K132 PolarHBondContact O-N 3.28Å
129	K	95.1	Very high	95.3	Very high	94 Å²	94	61 Å²	61	41%	0.409	32%	0.319	S	S	.	.	H	α-helix	trans	-55	-43.6	170.2	-73.1	167.7	-165.9	168.7	0	112.3	E113 C125 E126 L127 K132	E113-K129 HydrophobicContact CG-CG 4.44Å; E113-K129 VanDerWaalsContact OE1-CG 3.29Å; E113-K129 WeakPolarHBondContact OE1-CG 3.48Å; C125-K129 VanDerWaalsContact O-CG 3.28Å; C125-K129 WeakPolarHBondContact O-CG 3.47Å; C125-K129 PolarHBondContact O-N 3.1Å; C125-K129 WeakPolarHBondContact SG-CE 3.25Å; C125-K129 PolarHBondContact SG-NZ 3.1Å; E126-K129 WeakPolarHBondContact OE1-CD 3.01Å; E126-K129 IonicContact OE1-NZ 2.73Å; E126-K129 PolarHBondContact OE1-NZ 3.17Å; L127-K129 PolarHBondContact O-N 3.09Å; K129-K132 WeakPolarHBondContact O-CB 3.41Å
130	R	94.5	Very high	95.3	Very high	94 Å²	94	56.5 Å²	56.5	36%	0.355	30%	0.302	S	S	.	.	H	α-helix	trans	-68.9	-29.1	-179.9	-71.9	166.7	170.4	-117	-3.3	113.6	E126 L127 L128 Q466 P470	E126-R130 WeakPolarHBondContact O-CD 3.5Å; E126-R130 VanDerWaalsContact O-CG 3.27Å; E126-R130 WeakPolarHBondContact O-CG 3.31Å; E126-R130 PolarHBondContact O-N 3.27Å; L127-R130 WeakPolarHBondContact O-CB 3.18Å; L127-R130 PolarHBondContact O-N 3.44Å; L127-R130 VanDerWaalsContact O-N 3.1Å; L128-R130 VanDerWaalsContact C-N 3.29Å; L128-R130 PolarHBondContact O-N 3.27Å; R130-Q466 PolarHBondContact NH1-O 3.05Å; R130-Q466 PolarHBondContact NH2-O 3.11Å; R130-P470 HydrophobicContact CB-CG 4.31Å
131	V	95.8	Very high	95.2	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-104.3	5.3	180	-54.5	0	0	0	0	114.3	V102 L127 L128 Q133 R137 Y140 L471	V102-V131 HydrophobicContact CG1-CG2 4.24Å; L127-V131 HydrophobicContact CD1-CG1 4.26Å; L127-V131 PolarHBondContact O-N 2.95Å; L127-V131 VanDerWaalsContact O-N 3.1Å; L128-V131 HydrophobicContact CD2-CG2 4.17Å; L128-V131 CarbonylContact O-C 3.53Å; L128-V131 PolarHBondContact O-N 3.34Å; V131-Q133 VanDerWaalsContact C-N 3.28Å; V131-Q133 PolarHBondContact O-N 2.88Å; V131-R137 HydrophobicContact CB-CB 4.06Å; V131-R137 HydrophobicContact CB-CG 4.15Å; V131-Y140 HydrophobicContact CG1-CD2 4.15Å; V131-Y140 HydrophobicContact CG1-CE2 4.45Å; V131-L471 HydrophobicContact CG1-CD1 4.07Å; V131-L471 HydrophobicContact CG1-CD2 4.26Å; V131-L471 HydrophobicContact CG1-CG 4.06Å
132	K	94.3	Very high	95	Very high	75 Å²	75	59.3 Å²	59.3	33%	0.326	30%	0.298	S	S	.	.	S	Bend	trans	-62.2	-31.3	-176.2	-163.9	165.8	-171.3	161.4	0	114.4	N103 E113 L128 K129	N103-K132 PolarHBondContact ND2-O 2.74Å; N103-K132 VanDerWaalsContact ND2-O 3.09Å; N103-K132 WeakPolarHBondContact OD1-CE 3.34Å; N103-K132 WeakPolarHBondContact OD1-CG 3.33Å; E113-K132 IonicContact OE1-NZ 3.23Å; E113-K132 WeakPolarHBondContact OE2-CE 3.39Å; E113-K132 IonicContact OE2-NZ 3.83Å; E113-K132 PolarHBondContact OE2-NZ 2.92Å; L128-K132 WeakPolarHBondContact O-CB 3.26Å; L128-K132 PolarHBondContact O-N 3.28Å; K129-K132 WeakPolarHBondContact O-CB 3.41Å
133	Q	93	Very high	94.8	Very high	132 Å²	132	56.7 Å²	56.7	62%	0.617	28%	0.277	S	S	*	.	S	Bend	trans	-89.1	117.6	171.4	-64	-176.3	18.2	0	0	108.9	V131 S135 V136 R137	V131-Q133 VanDerWaalsContact C-N 3.28Å; V131-Q133 PolarHBondContact O-N 2.88Å; Q133-S135 VanDerWaalsContact C-N 3.29Å; Q133-S135 PolarHBondContact O-N 3.35Å; Q133-V136 HydrophobicContact CB-CB 4.24Å; Q133-V136 HydrophobicContact CB-CG2 3.91Å; Q133-V136 PolarHBondContact O-N 3.1Å; Q133-R137 PolarHBondContact O-N 2.66Å
134	D	93.1	Very high	94.7	Very high	80 Å²	80	51.5 Å²	51.5	43%	0.428	25%	0.253	S	S	.	.	H	α-helix	trans	-57.9	-40.2	-177.4	179.9	67.8	0	0	0	112.5	V136 R137 Q138	D134-V136 PolarHBondContact O-N 3.2Å; D134-R137 WeakPolarHBondContact O-CB 3.39Å; D134-R137 PolarHBondContact O-N 3.45Å; D134-R137 VanDerWaalsContact O-N 3.14Å; D134-R137 IonicContact OD1-CZ 2.85Å; D134-R137 VanDerWaalsContact OD1-CZ 3.3Å; D134-R137 IonicContact OD1-NE 3.27Å; D134-R137 PolarHBondContact OD1-NE 2.82Å; D134-R137 VanDerWaalsContact OD1-NE 3.13Å; D134-R137 IonicContact OD1-NH2 2.76Å; D134-R137 PolarHBondContact OD1-NH2 3.41Å; D134-Q138 VanDerWaalsContact O-CB 3.27Å; D134-Q138 WeakPolarHBondContact O-CB 3.5Å; D134-Q138 WeakPolarHBondContact O-CG 3.39Å; D134-Q138 PolarHBondContact O-N 3.17Å; D134-Q138 WeakPolarHBondContact OD2-CG 3.25Å
135	S	94	Very high	94.2	Very high	86 Å²	86	55.8 Å²	55.8	60%	0.601	28%	0.279	S	S	*	.	H	α-helix	trans	-56	-35.5	175.9	53.7	0	0	0	0	114	Q133 C139	Q133-S135 VanDerWaalsContact C-N 3.29Å; Q133-S135 PolarHBondContact O-N 3.35Å; S135-C139 PolarHBondContact O-N 3.42Å
136	V	94.3	Very high	93.4	Very high	48 Å²	48	58.2 Å²	58.2	29%	0.291	30%	0.296	S	S	.	.	H	α-helix	trans	-76.8	-44.6	177.1	179.6	0	0	0	0	110.3	Q133 D134 Q138 C139 Y140	Q133-V136 HydrophobicContact CB-CB 4.24Å; Q133-V136 HydrophobicContact CB-CG2 3.91Å; Q133-V136 PolarHBondContact O-N 3.1Å; D134-V136 PolarHBondContact O-N 3.2Å; V136-Q138 PolarHBondContact O-N 3.1Å; V136-C139 VanDerWaalsContact O-CB 3.24Å; V136-C139 WeakPolarHBondContact O-CB 3.27Å; V136-C139 PolarHBondContact O-N 3.16Å; V136-C139 VanDerWaalsContact O-N 3.12Å; V136-Y140 HydrophobicContact CG1-CD2 4.27Å; V136-Y140 HydrophobicContact CG1-CE2 3.64Å; V136-Y140 WeakPolarHBondContact O-CD2 3.38Å; V136-Y140 PolarHBondContact O-N 2.85Å; V136-Y140 VanDerWaalsContact O-N 3.15Å
137	R	95.5	Very high	92.3	Very high	19 Å²	19	55.6 Å²	55.6	7%	0.072	29%	0.288	C	S	.	.	H	α-helix	trans	-58.2	-47.2	174.7	178.9	176.9	65.8	168.7	14.1	112.5	E99 C100 V131 Q133 D134 C139 Y140 I141 L471	E99-R137 PolarHBondContact O-NH2 2.71Å; C100-R137 PolarHBondContact O-NH1 3.31Å; V131-R137 HydrophobicContact CB-CB 4.06Å; V131-R137 HydrophobicContact CB-CG 4.15Å; Q133-R137 PolarHBondContact O-N 2.66Å; D134-R137 WeakPolarHBondContact O-CB 3.39Å; D134-R137 PolarHBondContact O-N 3.45Å; D134-R137 VanDerWaalsContact O-N 3.14Å; D134-R137 IonicContact OD1-CZ 2.85Å; D134-R137 VanDerWaalsContact OD1-CZ 3.3Å; D134-R137 IonicContact OD1-NE 3.27Å; D134-R137 PolarHBondContact OD1-NE 2.82Å; D134-R137 VanDerWaalsContact OD1-NE 3.13Å; D134-R137 IonicContact OD1-NH2 2.76Å; D134-R137 PolarHBondContact OD1-NH2 3.41Å; R137-C139 PolarHBondContact O-N 3.02Å; R137-Y140 WeakPolarHBondContact O-CB 3.31Å; R137-Y140 PolarHBondContact O-N 3.44Å; R137-I141 HydrophobicContact CG-CD1 4Å; R137-I141 HydrophobicContact CG-CG1 4.49Å; R137-I141 WeakPolarHBondContact O-CG1 3.47Å; R137-I141 PolarHBondContact O-N 3.5Å; R137-L471 HydrophobicContact CG-CD1 4.37Å
138	Q	95.7	Very high	91.3	Very high	32 Å²	32	61.7 Å²	61.7	15%	0.15	33%	0.326	C	S	.	.	H	α-helix	trans	-58.5	-32.5	175.3	-73.6	-70.1	-23	0	0	112.2	E99 D134 V136 K142	E99-Q138 PolarHBondContact OE2-NE2 3.47Å; D134-Q138 VanDerWaalsContact O-CB 3.27Å; D134-Q138 WeakPolarHBondContact O-CB 3.5Å; D134-Q138 WeakPolarHBondContact O-CG 3.39Å; D134-Q138 PolarHBondContact O-N 3.17Å; D134-Q138 WeakPolarHBondContact OD2-CG 3.25Å; V136-Q138 PolarHBondContact O-N 3.1Å; Q138-K142 VanDerWaalsContact O-CB 3.31Å; Q138-K142 WeakPolarHBondContact O-CB 3.33Å; Q138-K142 VanDerWaalsContact O-CD 3.29Å; Q138-K142 WeakPolarHBondContact O-CD 3.43Å; Q138-K142 WeakPolarHBondContact O-CG 3.31Å; Q138-K142 PolarHBondContact O-N 3.48Å
139	C	94.2	Very high	90.2	Very high	69 Å²	69	64.8 Å²	64.8	47%	0.466	36%	0.359	S	S	.	.	H	α-helix	trans	-66.2	-47.2	171.9	-166	0	0	0	0	111.3	S135 V136 R137 I141 K142 Q143	S135-C139 PolarHBondContact O-N 3.42Å; V136-C139 VanDerWaalsContact O-CB 3.24Å; V136-C139 WeakPolarHBondContact O-CB 3.27Å; V136-C139 PolarHBondContact O-N 3.16Å; V136-C139 VanDerWaalsContact O-N 3.12Å; R137-C139 PolarHBondContact O-N 3.02Å; C139-I141 PolarHBondContact O-N 3.03Å; C139-K142 PolarHBondContact O-N 3.46Å; C139-Q143 WeakPolarHBondContact O-CG 3.43Å; C139-Q143 PolarHBondContact O-N 3.35Å
140	Y	95.9	Very high	89.7	Confident	43 Å²	43	65.5 Å²	65.5	17%	0.169	36%	0.363	C	S	.	.	H	α-helix	trans	-62.9	-38.6	176.3	-64.5	-46.6	0	0	0	113.3	V131 V136 R137 Q143 N469 P470	V131-Y140 HydrophobicContact CG1-CD2 4.15Å; V131-Y140 HydrophobicContact CG1-CE2 4.45Å; V136-Y140 HydrophobicContact CG1-CD2 4.27Å; V136-Y140 HydrophobicContact CG1-CE2 3.64Å; V136-Y140 WeakPolarHBondContact O-CD2 3.38Å; V136-Y140 PolarHBondContact O-N 2.85Å; V136-Y140 VanDerWaalsContact O-N 3.15Å; R137-Y140 WeakPolarHBondContact O-CB 3.31Å; R137-Y140 PolarHBondContact O-N 3.44Å; Y140-Q143 PolarHBondContact O-N 2.98Å; Y140-N469 WeakPolarHBondContact CA-ND2 3.38Å; Y140-N469 HydrophobicContact CD1-CB 4.27Å; Y140-N469 PolarHBondContact O-ND2 3.38Å; Y140-P470 HydrophobicContact CD2-CG 4.06Å; Y140-P470 VanDerWaalsContact CE1-CD 3.47Å; Y140-P470 HydrophobicContact CE1-CG 4.41Å; Y140-P470 HydrophobicContact CE2-CG 3.72Å; Y140-P470 VanDerWaalsContact CZ-CD 3.45Å
141	I	94.3	Very high	89.3	Confident	17 Å²	17	64 Å²	64	9%	0.087	37%	0.366	C	S	.	.	H	α-helix	trans	-63.2	-50.5	174.7	-65.2	170.2	0	0	0	109.9	L97 E99 R137 C139 Q143 L144 V145 L471	L97-I141 HydrophobicContact CD2-CG1 4.3Å; E99-I141 HydrophobicContact CG-CD1 3.77Å; R137-I141 HydrophobicContact CG-CD1 4Å; R137-I141 HydrophobicContact CG-CG1 4.49Å; R137-I141 WeakPolarHBondContact O-CG1 3.47Å; R137-I141 PolarHBondContact O-N 3.5Å; C139-I141 PolarHBondContact O-N 3.03Å; I141-Q143 PolarHBondContact O-N 3.19Å; I141-L144 PolarHBondContact O-N 2.66Å; I141-V145 PolarHBondContact O-N 3.25Å; I141-L471 HydrophobicContact CG1-CD1 4.33Å
142	K	92.2	Very high	88.9	Confident	135 Å²	135	64 Å²	64	59%	0.587	37%	0.366	S	S	*	.	H	α-helix	trans	-63	-25.3	179.9	-72.7	165.1	-169.7	164.7	0	113.8	Q138 C139	Q138-K142 VanDerWaalsContact O-CB 3.31Å; Q138-K142 WeakPolarHBondContact O-CB 3.33Å; Q138-K142 VanDerWaalsContact O-CD 3.29Å; Q138-K142 WeakPolarHBondContact O-CD 3.43Å; Q138-K142 WeakPolarHBondContact O-CG 3.31Å; Q138-K142 PolarHBondContact O-N 3.48Å; C139-K142 PolarHBondContact O-N 3.46Å
143	Q	93	Very high	88.3	Confident	26 Å²	26	67.9 Å²	67.9	12%	0.121	38%	0.378	C	S	.	.	H	α-helix	trans	-68.9	-30.6	171.4	-79.3	179.8	-2.5	0	0	113.5	C139 Y140 I141 S432 G433 F434 S437 V468 N469	C139-Q143 WeakPolarHBondContact O-CG 3.43Å; C139-Q143 PolarHBondContact O-N 3.35Å; Y140-Q143 PolarHBondContact O-N 2.98Å; I141-Q143 PolarHBondContact O-N 3.19Å; Q143-S432 WeakPolarHBondContact O-CB 3.45Å; Q143-S432 PolarHBondContact O-OG 2.88Å; Q143-S432 VanDerWaalsContact O-OG 3.06Å; Q143-G433 PolarHBondContact O-N 3.5Å; Q143-F434 HydrophobicContact CB-CB 4.42Å; Q143-F434 WeakPolarHBondContact O-CB 3.27Å; Q143-F434 PolarHBondContact O-N 3.32Å; Q143-S437 PolarHBondContact NE2-OG 2.89Å; Q143-V468 PolarHBondContact OE1-O 2.73Å; Q143-N469 PolarHBondContact OE1-ND2 3.32Å
144	L	92.4	Very high	88	Confident	21 Å²	21	62.1 Å²	62.1	11%	0.11	35%	0.351	C	S	.	.	H	α-helix	trans	-91	-23.9	-174.5	-64.4	169.1	0	0	0	112.7	L97 I141 S146 F434 L471 H476	L97-L144 HydrophobicContact CD2-CD1 3.75Å; I141-L144 PolarHBondContact O-N 2.66Å; L144-S146 PolarHBondContact O-N 3.28Å; L144-F434 HydrophobicContact CD2-CB 4.29Å; L144-F434 HydrophobicContact CD2-CD1 4.03Å; L144-F434 HydrophobicContact CD2-CD2 4.32Å; L144-F434 HydrophobicContact CD2-CE1 4.4Å; L144-F434 HydrophobicContact CD2-CG 4Å; L144-L471 HydrophobicContact CD1-CB 4.19Å; L144-H476 HydrophobicContact CD2-CB 4.1Å
145	V	86	Confident	87.9	Confident	90 Å²	90	58.3 Å²	58.3	55%	0.545	33%	0.331	S	S	.	.	S	Bend	trans	-63.4	126.3	169.9	178.5	0	0	0	0	110.2	I141 C147 S432	I141-V145 PolarHBondContact O-N 3.25Å; V145-C147 PolarHBondContact O-N 3.27Å; V145-S432 VanDerWaalsContact O-CB 3.28Å; V145-S432 WeakPolarHBondContact O-CB 3.4Å
146	S	79.5	Confident	87.7	Confident	57 Å²	57	55 Å²	55	40%	0.399	31%	0.305	S	S	.	.	B	Isolated β-bridge	trans	-65.6	126.9	173.7	-177.2	0	0	0	0	110.3	L144 T148 S430	L144-S146 PolarHBondContact O-N 3.28Å; S146-T148 PolarHBondContact O-N 2.94Å; S146-T148 VanDerWaalsContact O-N 3.12Å; S146-S430 WeakPolarHBondContact OG-CB 3.09Å; S146-S430 PolarHBondContact OG-O 2.81Å
147	C	72.6	Confident	87.7	Confident	39 Å²	39	52.7 Å²	52.7	26%	0.264	29%	0.292	S	S	.	.			trans	-79.7	95.3	179.8	-59.7	0	0	0	0	109	V145 G149 Q150 T431	V145-C147 PolarHBondContact O-N 3.27Å; C147-G149 PolarHBondContact O-N 2.87Å; C147-Q150 HydrophobicContact CB-CB 4.02Å; C147-Q150 HydrophobicContact CB-CG 3.84Å; C147-Q150 WeakPolarHBondContact O-CB 3.11Å; C147-Q150 PolarHBondContact O-N 3.44Å; C147-T431 WeakPolarHBondContact CB-O 3.46Å; C147-T431 PolarHBondContact N-O 2.85Å
148	T	74.3	Confident	87.7	Confident	135 Å²	135	52 Å²	52	83%	0.828	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.6	125	-177.3	39.7	0	0	0	0	112.1	S146	S146-T148 PolarHBondContact O-N 2.94Å; S146-T148 VanDerWaalsContact O-N 3.12Å
149	G	74.8	Confident	87.7	Confident	69 Å²	69	50.4 Å²	50.4	71%	0.711	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.1	8.1	-178.1	0	0	0	0	0	115.3	C147 P151	C147-G149 PolarHBondContact O-N 2.87Å; G149-P151 WeakPolarHBondContact O-CD 3.42Å
150	Q	83.3	Confident	87.8	Confident	108 Å²	108	47.1 Å²	47.1	51%	0.505	26%	0.26	S	S	.	.			trans	-100.3	95.7	169.3	-60.7	-168.1	5.1	0	0	110.7	C147 S430 T431	C147-Q150 HydrophobicContact CB-CB 4.02Å; C147-Q150 HydrophobicContact CB-CG 3.84Å; C147-Q150 WeakPolarHBondContact O-CB 3.11Å; C147-Q150 PolarHBondContact O-N 3.44Å; Q150-S430 CarbonylContact O-C 3.35Å; Q150-S430 WeakPolarHBondContact O-CA 3.39Å; Q150-T431 PolarHBondContact O-N 2.77Å; Q150-T431 PolarHBondContact O-OG1 3.25Å; Q150-T431 VanDerWaalsContact O-OG1 3.09Å
151	P	86.4	Confident	87.7	Confident	62 Å²	62	45.1 Å²	45.1	40%	0.403	25%	0.252	S	S	.	.			trans	-74.7	162.7	173	32	-36.1	0	0	0	111.6	G149 R153 L425	G149-P151 WeakPolarHBondContact O-CD 3.42Å; P151-R153 PolarHBondContact O-N 2.95Å; P151-L425 HydrophobicContact CB-CB 4.05Å; P151-L425 HydrophobicContact CB-CD2 4.42Å
152	L	87.2	Confident	87.5	Confident	2 Å²	2	47.2 Å²	47.2	1%	0.01	26%	0.261	C	S	.	.			trans	-53.1	129.9	173.8	-69.1	160.3	0	0	0	111.1	R154 L425 L428 T431 L435 Q483 H486 I487	L152-R154 PolarHBondContact O-N 3.19Å; L152-R154 VanDerWaalsContact O-N 3.11Å; L152-L425 HydrophobicContact CB-CD2 3.72Å; L152-L425 WeakPolarHBondContact O-CD1 3.41Å; L152-L425 WeakPolarHBondContact O-CD2 3.28Å; L152-L428 HydrophobicContact CD1-CB 4.18Å; L152-L428 HydrophobicContact CD1-CD1 3.93Å; L152-T431 HydrophobicContact CB-CG2 4.37Å; L152-T431 HydrophobicContact CD2-CG2 3.48Å; L152-T431 VanDerWaalsContact CD2-CG2 3.48Å; L152-T431 HydrophobicContact CG-CG2 3.84Å; L152-L435 HydrophobicContact CD2-CD2 3.62Å; L152-Q483 HydrophobicContact CD2-CB 4Å; L152-Q483 HydrophobicContact CD2-CG 4.09Å; L152-H486 HydrophobicContact CD1-CB 4.21Å; L152-I487 HydrophobicContact CB-CG2 4.33Å; L152-I487 HydrophobicContact CD2-CG2 3.81Å
153	R	82.3	Confident	87.2	Confident	155 Å²	155	43.8 Å²	43.8	59%	0.585	25%	0.254	S	S	*	.	S	Bend	trans	-62.5	-22.2	-178.9	-66	-174.9	-177.1	152.3	11.4	113.4	P151 R421 E436	P151-R153 PolarHBondContact O-N 2.95Å; R153-R421 PolarHBondContact O-NH2 2.83Å; R153-E436 IonicContact CZ-OE1 3.83Å; R153-E436 IonicContact CZ-OE2 2.77Å; R153-E436 IonicContact NE-OE1 3.03Å; R153-E436 PolarHBondContact NE-OE1 3.01Å; R153-E436 IonicContact NH1-OE1 3.01Å; R153-E436 PolarHBondContact NH1-OE1 3.45Å; R153-E436 IonicContact NH1-OE2 3.05Å; R153-E436 PolarHBondContact NH1-OE2 3.42Å; R153-E436 IonicContact NH2-OE1 2.67Å; R153-E436 PolarHBondContact NH2-OE1 3.05Å; R153-E436 IonicContact NH2-OE2 3.86Å; R153-E436 PolarHBondContact NH2-OE2 3.49Å
154	R	86.5	Confident	86.8	Confident	12 Å²	12	45.4 Å²	45.4	5%	0.045	28%	0.277	C	S	.	.			trans	-144.4	152.9	-169.9	-170.9	164.7	85.7	-154.7	3.9	110.9	L152 S228 E276 I487 E489	L152-R154 PolarHBondContact O-N 3.19Å; L152-R154 VanDerWaalsContact O-N 3.11Å; R154-S228 PolarHBondContact NH1-OG 2.97Å; R154-S228 VanDerWaalsContact NH1-OG 3.13Å; R154-E276 HydrophobicContact CB-CB 4.4Å; R154-E276 WeakPolarHBondContact CD-OE1 2.98Å; R154-E276 HydrophobicContact CG-CB 4.3Å; R154-E276 HydrophobicContact CG-CG 4.16Å; R154-E276 IonicContact CZ-OE1 3.09Å; R154-E276 IonicContact NE-OE1 3.27Å; R154-E276 IonicContact NH1-OE1 3.75Å; R154-E276 PolarHBondContact NH1-OE1 2.88Å; R154-I487 HydrophobicContact CB-CB 4.27Å; R154-I487 HydrophobicContact CB-CG2 4.36Å; R154-I487 VanDerWaalsContact CZ-O 3.26Å; R154-I487 PolarHBondContact NE-O 3.44Å; R154-I487 PolarHBondContact NH2-O 3.06Å; R154-I487 WeakPolarHBondContact O-CG2 2.97Å; R154-E489 IonicContact CZ-OE1 2.86Å; R154-E489 IonicContact NH1-OE1 3.5Å; R154-E489 PolarHBondContact NH1-OE1 3.29Å; R154-E489 IonicContact NH2-OE1 3.72Å; R154-E489 PolarHBondContact NH2-OE1 2.73Å
155	I	90.6	Very high	86.8	Confident	0 Å²	0	44.6 Å²	44.6	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	171.5	163.2	62.5	176.2	0	0	0	109.5	F277 S278 I302 R421 I424 L425 L428	I155-F277 HydrophobicContact CD1-CE1 4.07Å; I155-F277 HydrophobicContact CG1-CD1 3.87Å; I155-F277 HydrophobicContact CG1-CE1 3.74Å; I155-F277 WeakPolarHBondContact O-CA 3.4Å; I155-S278 PolarHBondContact O-N 3.28Å; I155-I302 HydrophobicContact CD1-CD1 4.48Å; I155-I302 HydrophobicContact CD1-CG1 4.24Å; I155-R421 HydrophobicContact CD1-CB 4.04Å; I155-R421 HydrophobicContact CD1-CG 3.87Å; I155-R421 HydrophobicContact CG1-CG 4.08Å; I155-I424 HydrophobicContact CD1-CB 4.19Å; I155-I424 HydrophobicContact CD1-CD1 3.92Å; I155-I424 HydrophobicContact CD1-CG2 4.04Å; I155-I424 HydrophobicContact CG2-CG2 4.29Å; I155-L425 HydrophobicContact CG2-CD2 3.67Å; I155-L425 HydrophobicContact CG2-CG 4.25Å; I155-L428 HydrophobicContact CG2-CD1 4.23Å
156	K	91.4	Very high	86.9	Confident	15 Å²	15	40.8 Å²	40.8	7%	0.065	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	146.7	170.9	-74.6	173.2	175.7	168.5	0	111.9	K158 S278 W280 C301 I302 Q485 H486	K156-K158 HydrophobicContact CB-CG 4.4Å; K156-S278 CarbonylContact C-O 3.54Å; K156-S278 WeakPolarHBondContact CA-O 3.27Å; K156-W280 HydrophobicContact CD-CZ2 4.49Å; K156-C301 HydrophobicContact CB-CB 3.7Å; K156-C301 VanDerWaalsContact O-CB 3.32Å; K156-C301 WeakPolarHBondContact O-CB 3.49Å; K156-I302 PolarHBondContact O-N 2.89Å; K156-Q485 WeakPolarHBondContact CE-O 3.45Å; K156-Q485 PolarHBondContact NZ-O 2.73Å; K156-H486 PolarHBondContact N-O 3.17Å
157	L	93.1	Very high	87.4	Confident	0 Å²	0	38.3 Å²	38.3	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	115.8	165.2	177.3	61.9	0	0	0	107.3	L159 I271 F277 S278 T279 W280 I302 L304 L417	L157-L159 HydrophobicContact CD2-CD1 4.48Å; L157-L159 HydrophobicContact CG-CD1 4.06Å; L157-I271 HydrophobicContact CD2-CD1 3.74Å; L157-F277 HydrophobicContact CB-CB 4.01Å; L157-F277 HydrophobicContact CB-CD1 3.71Å; L157-F277 HydrophobicContact CB-CE1 4.38Å; L157-F277 HydrophobicContact CB-CG 4.01Å; L157-F277 HydrophobicContact CD2-CG 4.41Å; L157-S278 PolarHBondContact N-O 3.17Å; L157-T279 HydrophobicContact CB-CG2 4.42Å; L157-T279 HydrophobicContact CD2-CG2 4.33Å; L157-T279 WeakPolarHBondContact O-CA 3.4Å; L157-W280 PolarHBondContact O-N 2.94Å; L157-I302 HydrophobicContact CD1-CB 3.84Å; L157-I302 HydrophobicContact CD1-CG2 3.89Å; L157-L304 HydrophobicContact CD1-CD1 4.05Å; L157-L304 HydrophobicContact CD1-CD2 4.3Å; L157-L304 HydrophobicContact CD1-CG 3.83Å; L157-L417 HydrophobicContact CD1-CD2 3.53Å; L157-L417 HydrophobicContact CD2-CD1 4.15Å; L157-L417 HydrophobicContact CD2-CD2 4.2Å
158	K	94.8	Very high	88.1	Confident	4 Å²	4	38.7 Å²	38.7	2%	0.017	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	127.3	-172	-58.4	-168.5	-179	-175	0	110.2	K156 F160 W280 F282 F295 I296 C301 I302 L304	K156-K158 HydrophobicContact CB-CG 4.4Å; K158-F160 HydrophobicContact CB-CD2 4.36Å; K158-F160 HydrophobicContact CB-CE2 3.42Å; K158-F160 VanDerWaalsContact CB-CE2 3.42Å; K158-F160 HydrophobicContact CB-CZ 3.72Å; K158-F160 HydrophobicContact CD-CZ 4.17Å; K158-W280 WeakPolarHBondContact CA-O 3.35Å; K158-W280 HydrophobicContact CG-CB 4.23Å; K158-F282 HydrophobicContact CB-CE2 4.02Å; K158-F282 HydrophobicContact CD-CE2 4.2Å; K158-F282 HydrophobicContact CD-CZ 4.44Å; K158-F282 HydrophobicContact CG-CE2 4.28Å; K158-F295 PolarHBondContact NZ-O 3.38Å; K158-I296 PolarHBondContact NZ-O 2.85Å; K158-C301 VanDerWaalsContact CE-SG 3.52Å; K158-I302 PolarHBondContact N-O 3.5Å; K158-L304 PolarHBondContact O-N 2.99Å
159	L	95.9	Very high	88.7	Confident	0 Å²	0	38 Å²	38	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	112.8	-177.1	-70.8	84.7	0	0	0	110.1	L157 K167 L171 W280 F282 L304	L157-L159 HydrophobicContact CD2-CD1 4.48Å; L157-L159 HydrophobicContact CG-CD1 4.06Å; L159-K167 HydrophobicContact CB-CD 4.38Å; L159-K167 HydrophobicContact CB-CG 4.39Å; L159-K167 HydrophobicContact CD2-CB 4.32Å; L159-L171 HydrophobicContact CD1-CD1 4.24Å; L159-L171 HydrophobicContact CD1-CD2 3.82Å; L159-L171 HydrophobicContact CD1-CG 4.22Å; L159-L171 HydrophobicContact CD2-CD1 4.27Å; L159-L171 HydrophobicContact CD2-CD2 3.99Å; L159-L171 HydrophobicContact CD2-CG 3.76Å; L159-W280 PolarHBondContact N-O 3.02Å; L159-F282 WeakPolarHBondContact O-CB 3.45Å; L159-F282 PolarHBondContact O-N 2.9Å; L159-L304 HydrophobicContact CD2-CD1 4.39Å; L159-L304 HydrophobicContact CG-CB 4.32Å; L159-L304 HydrophobicContact CG-CD1 4.15Å
160	F	96.2	Very high	89.5	Confident	0 Å²	0	34.7 Å²	34.7	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	169.1	177.1	-55.7	-82.2	0	0	0	110.5	K158 F282 I296 H303 L304 V305 L306 W323 L327	K158-F160 HydrophobicContact CB-CD2 4.36Å; K158-F160 HydrophobicContact CB-CE2 3.42Å; K158-F160 VanDerWaalsContact CB-CE2 3.42Å; K158-F160 HydrophobicContact CB-CZ 3.72Å; K158-F160 HydrophobicContact CD-CZ 4.17Å; F160-F282 HydrophobicContact CD1-CB 4.12Å; F160-F282 HydrophobicContact CD1-CD1 4.3Å; F160-F282 AromaticContact CD1-CD2 3.95Å; F160-F282 HydrophobicContact CD1-CD2 3.95Å; F160-F282 HydrophobicContact CD1-CE2 4.49Å; F160-F282 AromaticContact CD1-CG 3.87Å; F160-F282 HydrophobicContact CD1-CG 3.87Å; F160-F282 HydrophobicContact CE1-CB 4.42Å; F160-F282 AromaticContact CE1-CD1 3.83Å; F160-F282 HydrophobicContact CE1-CD1 3.83Å; F160-F282 AromaticContact CE1-CD2 3.54Å; F160-F282 HydrophobicContact CE1-CD2 3.54Å; F160-F282 AromaticContact CE1-CE1 3.9Å; F160-F282 HydrophobicContact CE1-CE1 3.9Å; F160-F282 AromaticContact CE1-CE2 3.65Å; F160-F282 HydrophobicContact CE1-CE2 3.65Å; F160-F282 AromaticContact CE1-CG 3.66Å; F160-F282 HydrophobicContact CE1-CG 3.66Å; F160-F282 AromaticContact CE1-CZ 3.83Å; F160-F282 HydrophobicContact CE1-CZ 3.83Å; F160-F282 AromaticContact CZ-CD2 3.95Å; F160-F282 HydrophobicContact CZ-CD2 3.95Å; F160-F282 AromaticContact CZ-CE2 3.7Å; F160-F282 HydrophobicContact CZ-CE2 3.7Å; F160-F282 HydrophobicContact CZ-CG 4.5Å; F160-F282 HydrophobicContact CZ-CZ 4.02Å; F160-I296 HydrophobicContact CE1-CD1 4.17Å; F160-I296 HydrophobicContact CE1-CG1 3.85Å; F160-I296 HydrophobicContact CZ-CG1 3.99Å; F160-H303 HydrophobicContact CD2-CB 4.4Å; F160-H303 HydrophobicContact CE2-CB 4.07Å; F160-H303 AromaticContact CE2-CD2 3.7Å; F160-L304 PolarHBondContact N-O 2.67Å; F160-V305 HydrophobicContact CB-CG2 4.43Å; F160-L306 WeakPolarHBondContact O-CB 3.21Å; F160-L306 PolarHBondContact O-N 3.21Å; F160-W323 HydrophobicContact CB-CB 4.44Å; F160-W323 HydrophobicContact CB-CD2 3.96Å; F160-W323 HydrophobicContact CB-CE3 3.74Å; F160-W323 HydrophobicContact CB-CG 4.22Å; F160-W323 HydrophobicContact CB-CZ3 4.44Å; F160-W323 AromaticContact CD1-CE3 3.91Å; F160-W323 HydrophobicContact CD1-CE3 3.91Å; F160-W323 HydrophobicContact CD1-CZ3 4.16Å; F160-W323 HydrophobicContact CG-CE3 4.23Å; F160-L327 HydrophobicContact CE1-CD2 4.34Å; F160-L327 HydrophobicContact CE2-CD2 3.96Å; F160-L327 HydrophobicContact CZ-CD2 3.86Å
161	G	94.5	Very high	89.7	Confident	0 Å²	0	29.7 Å²	29.7	0%	0	16%	0.16	C	C	.	.			trans	127.5	155	-171.1	0	0	0	0	0	110.7	K167 G284 L306 W323	G161-K167 PolarHBondContact O-NZ 3.28Å; G161-G284 VanDerWaalsContact O-CA 3.28Å; G161-G284 WeakPolarHBondContact O-CA 3.42Å; G161-L306 VanDerWaalsContact CA-O 3.24Å; G161-L306 WeakPolarHBondContact CA-O 3.38Å; G161-W323 VanDerWaalsContact C-CE2 3.47Å; G161-W323 VanDerWaalsContact CA-CE2 3.49Å; G161-W323 VanDerWaalsContact CA-NE1 3.28Å; G161-W323 WeakPolarHBondContact O-CZ2 3.22Å
162	H	90.7	Very high	89.7	Confident	62 Å²	62	29 Å²	29	29%	0.287	15%	0.152	S	C	.	.			trans	-64.6	173.5	-179.5	-63.5	-57.5	0	0	0	112.8	V165 K167 S319 W323	H162-V165 HydrophobicContact CB-CG1 4.18Å; H162-V165 VanDerWaalsContact O-CG2 3.31Å; H162-V165 WeakPolarHBondContact O-CG2 3.41Å; H162-K167 PolarHBondContact O-NZ 3.32Å; H162-S319 PolarHBondContact CD2-OG 2.92Å; H162-W323 AromaticContact CE1-NE1 3.71Å; H162-W323 AromaticContact ND1-CZ2 3.72Å; H162-W323 AromaticContact ND1-NE1 3.85Å; H162-W323 AromaticContact NE2-NE1 3.8Å
163	S	85.9	Confident	89.6	Confident	63 Å²	63	28.9 Å²	28.9	44%	0.441	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	145.8	171.1	-55	0	0	0	0	110.5	V165 S283 Y285	S163-V165 VanDerWaalsContact C-N 3.32Å; S163-V165 PolarHBondContact O-N 3.46Å; S163-S283 WeakPolarHBondContact CA-O 3.27Å; S163-S283 PolarHBondContact OG-O 3.23Å; S163-Y285 WeakPolarHBondContact OG-CA 3.47Å; S163-Y285 PolarHBondContact OG-N 3.18Å
164	G	84.4	Confident	89.8	Confident	59 Å²	59	21.5 Å²	21.5	61%	0.608	12%	0.123	S	C	*	.	T	Hydrogen-bonded Turn	trans	81.1	-13.2	179	0	0	0	0	0	116.9	G166	G164-G166 PolarHBondContact O-N 3.37Å
165	V	91.5	Very high	89.5	Confident	4 Å²	4	23.5 Å²	23.5	2%	0.024	13%	0.131	C	C	.	.	S	Bend	trans	-71.5	15.8	-176.2	-49.2	0	0	0	0	115.8	H162 S163 K167 L306 R308 T354	H162-V165 HydrophobicContact CB-CG1 4.18Å; H162-V165 VanDerWaalsContact O-CG2 3.31Å; H162-V165 WeakPolarHBondContact O-CG2 3.41Å; S163-V165 VanDerWaalsContact C-N 3.32Å; S163-V165 PolarHBondContact O-N 3.46Å; V165-K167 HydrophobicContact CG2-CD 4.4Å; V165-K167 HydrophobicContact CG2-CG 3.92Å; V165-L306 HydrophobicContact CB-CB 4.45Å; V165-L306 HydrophobicContact CG2-CB 3.63Å; V165-R308 HydrophobicContact CB-CG 4.22Å; V165-R308 HydrophobicContact CG1-CG 4.12Å; V165-T354 WeakPolarHBondContact O-CG2 3.39Å; V165-T354 PolarHBondContact O-OG1 3Å
166	G	89.9	Confident	88.6	Confident	10 Å²	10	25.7 Å²	25.7	10%	0.103	14%	0.144	C	C	.	.	S	Bend	trans	82	8.5	170.8	0	0	0	0	0	117	G164 T168 R169 L170	G164-G166 PolarHBondContact O-N 3.37Å; G166-T168 PolarHBondContact O-N 2.95Å; G166-R169 PolarHBondContact O-N 3.02Å; G166-R169 VanDerWaalsContact O-N 3.1Å; G166-L170 PolarHBondContact O-N 3.27Å
167	K	89.8	Confident	87	Confident	6 Å²	6	26.3 Å²	26.3	3%	0.026	16%	0.155	C	C	.	.	H	α-helix	trans	-46.1	-52.8	179.9	-65	175.7	-60.7	-120.8	0	113.6	L159 G161 H162 V165 R169 L170 L171 E281 F282 S283 L306	L159-K167 HydrophobicContact CB-CD 4.38Å; L159-K167 HydrophobicContact CB-CG 4.39Å; L159-K167 HydrophobicContact CD2-CB 4.32Å; G161-K167 PolarHBondContact O-NZ 3.28Å; H162-K167 PolarHBondContact O-NZ 3.32Å; V165-K167 HydrophobicContact CG2-CD 4.4Å; V165-K167 HydrophobicContact CG2-CG 3.92Å; K167-R169 PolarHBondContact O-N 3.2Å; K167-L170 WeakPolarHBondContact O-CB 3.29Å; K167-L170 PolarHBondContact O-N 2.82Å; K167-L171 PolarHBondContact O-N 2.97Å; K167-E281 VanDerWaalsContact CB-CD 3.43Å; K167-E281 HydrophobicContact CB-CG 3.8Å; K167-E281 VanDerWaalsContact CB-OE1 3.23Å; K167-E281 WeakPolarHBondContact CB-OE1 3.44Å; K167-E281 HydrophobicContact CD-CG 4.01Å; K167-F282 WeakPolarHBondContact CD-O 3.28Å; K167-F282 WeakPolarHBondContact CE-O 3.29Å; K167-F282 PolarHBondContact NZ-O 3.39Å; K167-S283 PolarHBondContact NZ-O 3.16Å; K167-L306 HydrophobicContact CB-CD2 4.31Å; K167-L306 HydrophobicContact CG-CB 4.43Å; K167-L306 HydrophobicContact CG-CD2 3.84Å
168	T	86.5	Confident	84.9	Confident	46 Å²	46	32.9 Å²	32.9	28%	0.282	19%	0.189	S	C	.	.	H	α-helix	trans	-64.1	-41.1	-179.1	-21	0	0	0	0	112.3	G166 L170 L171 E172 E281	G166-T168 PolarHBondContact O-N 2.95Å; T168-L170 VanDerWaalsContact C-N 3.34Å; T168-L170 PolarHBondContact O-N 2.93Å; T168-L171 PolarHBondContact O-N 2.78Å; T168-E172 WeakPolarHBondContact O-CG 3.37Å; T168-E172 PolarHBondContact O-N 3.37Å; T168-E281 WeakPolarHBondContact CA-OE2 3.22Å; T168-E281 PolarHBondContact N-OE1 3.22Å; T168-E281 PolarHBondContact N-OE2 3.17Å; T168-E281 VanDerWaalsContact N-OE2 3.14Å; T168-E281 PolarHBondContact OG1-OE1 2.89Å; T168-E281 PolarHBondContact OG1-OE2 3.13Å
169	R	87.8	Confident	82.6	Confident	121 Å²	121	40.6 Å²	40.6	46%	0.457	23%	0.23	S	C	.	.	H	α-helix	trans	-64.2	-38.9	175.6	-68.4	-175.3	178.2	-178.8	-1.2	111.3	G166 K167 E172 S173	G166-R169 PolarHBondContact O-N 3.02Å; G166-R169 VanDerWaalsContact O-N 3.1Å; K167-R169 PolarHBondContact O-N 3.2Å; R169-E172 PolarHBondContact O-N 2.95Å; R169-S173 WeakPolarHBondContact O-CB 3.36Å; R169-S173 PolarHBondContact O-N 3.02Å; R169-S173 PolarHBondContact O-OG 2.86Å
170	L	90.9	Very high	80.2	Confident	0 Å²	0	42.3 Å²	42.3	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-62.7	-44.1	173.7	-178.7	61.5	0	0	0	111.4	G166 K167 T168 S173 L174 L304 L306 V352 V400 T402 I410 L413	G166-L170 PolarHBondContact O-N 3.27Å; K167-L170 WeakPolarHBondContact O-CB 3.29Å; K167-L170 PolarHBondContact O-N 2.82Å; T168-L170 VanDerWaalsContact C-N 3.34Å; T168-L170 PolarHBondContact O-N 2.93Å; L170-S173 PolarHBondContact O-N 3.42Å; L170-L174 HydrophobicContact CD1-CD1 4.21Å; L170-L174 HydrophobicContact CD1-CG 4.16Å; L170-L174 HydrophobicContact CG-CD1 3.93Å; L170-L174 HydrophobicContact CG-CG 4.35Å; L170-L174 VanDerWaalsContact O-CB 3.25Å; L170-L174 WeakPolarHBondContact O-CB 3.39Å; L170-L174 VanDerWaalsContact O-CG 3.24Å; L170-L174 WeakPolarHBondContact O-CG 3.49Å; L170-L174 PolarHBondContact O-N 3.09Å; L170-L304 HydrophobicContact CD2-CD1 4.46Å; L170-L306 HydrophobicContact CB-CD2 4.46Å; L170-L306 HydrophobicContact CD2-CD1 4.22Å; L170-L306 HydrophobicContact CD2-CD2 3.78Å; L170-L306 HydrophobicContact CD2-CG 4.37Å; L170-V352 HydrophobicContact CD2-CG1 4.05Å; L170-V400 HydrophobicContact CD1-CG2 4.06Å; L170-T402 HydrophobicContact CB-CG2 4.22Å; L170-T402 HydrophobicContact CD1-CG2 4.45Å; L170-I410 HydrophobicContact CD1-CD1 3.38Å; L170-L413 HydrophobicContact CD1-CD2 3.96Å; L170-L413 HydrophobicContact CD2-CD2 4.05Å; L170-L413 HydrophobicContact CG-CD2 4.42Å
171	L	87.7	Confident	77.6	Confident	2 Å²	2	45.7 Å²	45.7	1%	0.01	27%	0.265	C	S	.	.	H	α-helix	trans	-63.1	-42.3	175.3	-76.9	-179.2	0	0	0	112.8	L159 K167 T168 R175 T279 E281	L159-L171 HydrophobicContact CD1-CD1 4.24Å; L159-L171 HydrophobicContact CD1-CD2 3.82Å; L159-L171 HydrophobicContact CD1-CG 4.22Å; L159-L171 HydrophobicContact CD2-CD1 4.27Å; L159-L171 HydrophobicContact CD2-CD2 3.99Å; L159-L171 HydrophobicContact CD2-CG 3.76Å; K167-L171 PolarHBondContact O-N 2.97Å; T168-L171 PolarHBondContact O-N 2.78Å; L171-R175 WeakPolarHBondContact O-CB 3.35Å; L171-R175 WeakPolarHBondContact O-CD 3.26Å; L171-R175 WeakPolarHBondContact O-CG 3.43Å; L171-R175 PolarHBondContact O-N 3.12Å; L171-T279 HydrophobicContact CD2-CG2 3.9Å; L171-E281 HydrophobicContact CD1-CB 4.26Å
172	E	85.6	Confident	74.9	Confident	48 Å²	48	52.9 Å²	52.9	22%	0.224	30%	0.303	C	S	.	.	H	α-helix	trans	-58.5	-51.3	173.8	-73	177.1	177.3	0	0	111.2	T168 R169 L174 R175 T176 R184 R263	T168-E172 WeakPolarHBondContact O-CG 3.37Å; T168-E172 PolarHBondContact O-N 3.37Å; R169-E172 PolarHBondContact O-N 2.95Å; E172-L174 PolarHBondContact O-N 3.46Å; E172-R175 WeakPolarHBondContact O-CB 3.46Å; E172-R175 PolarHBondContact O-N 3.4Å; E172-R175 VanDerWaalsContact O-N 3.12Å; E172-T176 PolarHBondContact O-N 2.84Å; E172-R184 IonicContact OE2-CZ 3.83Å; E172-R184 IonicContact OE2-NH2 2.69Å; E172-R184 PolarHBondContact OE2-NH2 2.8Å; E172-R263 IonicContact OE1-CZ 3.5Å; E172-R263 IonicContact OE1-NH2 3.96Å; E172-R263 PolarHBondContact OE1-NH2 2.99Å
173	S	86.9	Confident	72.4	Confident	0 Å²	0	58.8 Å²	58.8	0%	0	33%	0.328	C	S	.	.	H	α-helix	trans	-69.5	-33.6	-177.7	-66.3	0	0	0	0	112.8	R169 L170 T176 T402	R169-S173 WeakPolarHBondContact O-CB 3.36Å; R169-S173 PolarHBondContact O-N 3.02Å; R169-S173 PolarHBondContact O-OG 2.86Å; L170-S173 PolarHBondContact O-N 3.42Å; S173-T176 WeakPolarHBondContact CA-OG1 3.35Å; S173-T176 PolarHBondContact O-N 3.01Å; S173-T176 PolarHBondContact O-OG1 3.1Å; S173-T402 PolarHBondContact OG-O 3.18Å
174	L	86.1	Confident	70.3	Confident	0 Å²	0	61.9 Å²	61.9	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-61.1	-41.7	168	-78.9	172.3	0	0	0	112	L170 E172 I271 I410 L413 K414 L417	L170-L174 HydrophobicContact CD1-CD1 4.21Å; L170-L174 HydrophobicContact CD1-CG 4.16Å; L170-L174 HydrophobicContact CG-CD1 3.93Å; L170-L174 HydrophobicContact CG-CG 4.35Å; L170-L174 VanDerWaalsContact O-CB 3.25Å; L170-L174 WeakPolarHBondContact O-CB 3.39Å; L170-L174 VanDerWaalsContact O-CG 3.24Å; L170-L174 WeakPolarHBondContact O-CG 3.49Å; L170-L174 PolarHBondContact O-N 3.09Å; E172-L174 PolarHBondContact O-N 3.46Å; L174-I271 HydrophobicContact CB-CD1 4.39Å; L174-I271 HydrophobicContact CB-CG1 4.33Å; L174-I271 HydrophobicContact CB-CG2 4.04Å; L174-I271 HydrophobicContact CD1-CD1 4.41Å; L174-I271 HydrophobicContact CD2-CG2 4.38Å; L174-I271 WeakPolarHBondContact O-CG2 3.44Å; L174-I410 HydrophobicContact CD2-CG2 4.41Å; L174-L413 HydrophobicContact CD1-CD2 4.22Å; L174-L413 HydrophobicContact CD2-CD2 4.21Å; L174-L413 HydrophobicContact CD2-CG 4.46Å; L174-K414 HydrophobicContact CD2-CD 4.39Å; L174-K414 HydrophobicContact CD2-CG 3.62Å; L174-K414 WeakPolarHBondContact O-CE 3.37Å; L174-K414 PolarHBondContact O-NZ 3.11Å; L174-L417 HydrophobicContact CD1-CD1 4.27Å; L174-L417 HydrophobicContact CD2-CD1 4.33Å
175	R	80	Confident	67.8	Low	54 Å²	54	69.2 Å²	69.2	20%	0.204	34%	0.339	C	S	.	.	H	α-helix	trans	-67.9	-32.2	177.8	-71.9	163.9	-178.8	154.6	0.7	112.9	L171 E172 T226 R272 T279	L171-R175 WeakPolarHBondContact O-CB 3.35Å; L171-R175 WeakPolarHBondContact O-CD 3.26Å; L171-R175 WeakPolarHBondContact O-CG 3.43Å; L171-R175 PolarHBondContact O-N 3.12Å; E172-R175 WeakPolarHBondContact O-CB 3.46Å; E172-R175 PolarHBondContact O-N 3.4Å; E172-R175 VanDerWaalsContact O-N 3.12Å; R175-T226 PolarHBondContact NH2-OG1 3.44Å; R175-R272 WeakPolarHBondContact O-CB 3.33Å; R175-R272 WeakPolarHBondContact O-CG 3.16Å; R175-T279 PolarHBondContact NH2-OG1 3.33Å; R175-T279 VanDerWaalsContact NH2-OG1 3.15Å
176	T	70.4	Confident	65	Low	45 Å²	45	78.1 Å²	78.1	28%	0.276	38%	0.378	S	S	.	.			trans	-69.1	152.8	176.4	55.9	0	0	0	0	113.7	E172 S173 P405 K414	E172-T176 PolarHBondContact O-N 2.84Å; S173-T176 WeakPolarHBondContact CA-OG1 3.35Å; S173-T176 PolarHBondContact O-N 3.01Å; S173-T176 PolarHBondContact O-OG1 3.1Å; T176-P405 WeakPolarHBondContact OG1-CB 3.24Å; T176-P405 WeakPolarHBondContact OG1-CG 3.38Å; T176-K414 PolarHBondContact O-NZ 3.41Å
177	G	58.7	Low	62.1	Low	28 Å²	28	84.3 Å²	84.3	29%	0.289	41%	0.409	S	S	.	.			trans	-109.8	175.4	171.7	0	0	0	0	0	112	L179 G180	G177-L179 PolarHBondContact O-N 3.17Å; G177-G180 PolarHBondContact O-N 3.14Å
178	L	49.6	Very low	59.3	Low	139 Å²	139	90 Å²	90	73%	0.728	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.2	-24.4	-171	-70.8	165.2	0	0	0	116.3
179	L	46	Very low	56.5	Low	166 Å²	166	97.4 Å²	97.4	87%	0.869	47%	0.467	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.5	1.2	-179.1	-58.6	176.4	0	0	0	114.1	G177 N181	G177-L179 PolarHBondContact O-N 3.17Å; L179-N181 VanDerWaalsContact C-N 3.31Å; L179-N181 PolarHBondContact O-N 3.2Å
180	G	44.7	Very low	53.7	Low	35 Å²	35	95.9 Å²	95.9	36%	0.361	48%	0.48	S	S	.	.	G	3₁₀ helix	trans	-69.1	-20.4	-171.6	0	0	0	0	0	115.9	G177 L182	G177-G180 PolarHBondContact O-N 3.14Å; G180-L182 PolarHBondContact O-N 2.83Å; G180-L182 VanDerWaalsContact O-N 3.15Å
181	N	41.6	Very low	50.6	Low	71 Å²	71	100.8 Å²	100.8	38%	0.38	51%	0.51	S	S	.	.	G	3₁₀ helix	trans	-69.1	-16.4	-166.8	-63.5	7.7	0	0	0	114.3	L179 F183 S406	L179-N181 VanDerWaalsContact C-N 3.31Å; L179-N181 PolarHBondContact O-N 3.2Å; N181-F183 PolarHBondContact O-N 2.93Å; N181-S406 PolarHBondContact ND2-OG 3.42Å
182	L	38.2	Very low	47.6	Very low	152 Å²	152	106.9 Å²	106.9	80%	0.796	55%	0.548	S	S	*	.	G	3₁₀ helix	trans	-69.6	-29.4	-172	-134.6	82	0	0	0	114.5	G180	G180-L182 PolarHBondContact O-N 2.83Å; G180-L182 VanDerWaalsContact O-N 3.15Å
183	F	37.5	Very low	44.8	Very low	186 Å²	186	108.9 Å²	108.9	82%	0.816	57%	0.572	S	S	*	*	G	3₁₀ helix	trans	-94.4	-11.6	-170.8	-82.2	-84.3	0	0	0	115	N181	N181-F183 PolarHBondContact O-N 2.93Å
184	R	41.6	Very low	41.9	Very low	127 Å²	127	114.9 Å²	114.9	48%	0.479	61%	0.609	S	S	.	*	G	3₁₀ helix	trans	-86.3	-24	-166.9	-132.9	174.5	-169.8	171	4.1	115.4	E172 F186	E172-R184 IonicContact OE2-CZ 3.83Å; E172-R184 IonicContact OE2-NH2 2.69Å; E172-R184 PolarHBondContact OE2-NH2 2.8Å; R184-F186 PolarHBondContact O-N 2.89Å; R184-F186 VanDerWaalsContact O-N 3.13Å
185	R	32.8	Very low	39	Very low	213 Å²	213	122.3 Å²	122.3	80%	0.804	65%	0.648	S	S	*	*	G	3₁₀ helix	trans	-66.3	-9	-175.4	-91.6	-174.8	169.8	176.8	-2.4	116.3
186	F	31.8	Very low	36.3	Very low	192 Å²	192	128.9 Å²	128.9	84%	0.842	68%	0.681	S	S	*	*	G	3₁₀ helix	trans	-83.3	-10.3	-177.3	-89.5	-79	0	0	0	115.1	R184	R184-F186 PolarHBondContact O-N 2.89Å; R184-F186 VanDerWaalsContact O-N 3.13Å
187	N	29.7	Very low	34.1	Very low	139 Å²	139	133.2 Å²	133.2	74%	0.743	71%	0.708	S	S	*	*	G	3₁₀ helix	trans	-102	2.6	-175.5	-91.6	42.5	0	0	0	115.3
188	E	30.9	Very low	32.5	Very low	125 Å²	125	138.7 Å²	138.7	58%	0.584	73%	0.729	S	S	*	*			trans	-86.6	-18.6	-167.6	-73.4	177.2	134.2	0	0	115.6	A190	E188-A190 PolarHBondContact O-N 3.3Å
189	Q	27	Very low	31.2	Very low	203 Å²	203	141.6 Å²	141.6	95%	0.949	74%	0.739	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.9	15.3	-173.4	-73.2	-166.8	-28.9	0	0	116.2
190	A	29	Very low	30.2	Very low	89 Å²	89	138.8 Å²	138.8	74%	0.736	73%	0.729	S	S	*	*	T	Hydrogen-bonded Turn	trans	-123.7	0.7	-176.9	0	0	0	0	0	115.1	E188	E188-A190 PolarHBondContact O-N 3.3Å
191	V	27.6	Very low	29.5	Very low	103 Å²	103	142.6 Å²	142.6	62%	0.624	75%	0.747	S	S	*	*			trans	-109.1	-23.6	-165.3	-175.1	0	0	0	0	114.3	A193	V191-A193 PolarHBondContact O-N 2.84Å
192	T	24.6	Very low	28.9	Very low	130 Å²	130	143.1 Å²	143.1	80%	0.798	76%	0.761	S	S	*	*	S	Bend	trans	-80.4	48.9	-168.9	58.5	0	0	0	0	114.4
193	A	25	Very low	28.4	Very low	90 Å²	90	140.7 Å²	140.7	74%	0.744	76%	0.758	S	S	*	*	S	Bend	trans	-144.7	17.8	-171	0	0	0	0	0	115.3	V191	V191-A193 PolarHBondContact O-N 2.84Å
194	V	26.3	Very low	27.8	Very low	126 Å²	126	137.4 Å²	137.4	76%	0.764	75%	0.753	S	S	*	*			trans	-137	12.4	-172	-149.9	0	0	0	0	114.3
195	D	25.3	Very low	27.1	Very low	155 Å²	155	136 Å²	136	83%	0.829	76%	0.758	S	S	*	*			trans	-90	-5.3	-173.3	-68.4	-52.4	0	0	0	115.1
196	E	24.1	Very low	27	Very low	193 Å²	193	136.5 Å²	136.5	90%	0.902	76%	0.76	S	S	*	*	S	Bend	trans	-99.8	80	171.7	-72.6	-166.1	150	0	0	112.1
197	V	24.8	Very low	26.6	Very low	136 Å²	136	138.4 Å²	138.4	82%	0.824	76%	0.761	S	S	*	*	S	Bend	trans	167.4	98.2	140.8	159.4	0	0	0	0	107.6
198	L	25	Very low	26.3	Very low	143 Å²	143	142.3 Å²	142.3	75%	0.749	77%	0.766	S	S	*	*			trans	-169.6	29	155.3	-111.5	166.6	0	0	0	115.5	T200	L198-T200 PolarHBondContact O-N 3.34Å
199	E	22.1	Very low	26	Very low	200 Å²	200	141.1 Å²	141.1	94%	0.935	78%	0.777	S	S	*	*			trans	-74.4	91.8	172.5	-71.8	-160	149.5	0	0	112.6
200	T	24.5	Very low	25.9	Very low	106 Å²	106	135.9 Å²	135.9	65%	0.65	76%	0.759	S	S	*	*			trans	-140.8	121.9	157.7	50.8	0	0	0	0	110.7	L198	L198-T200 PolarHBondContact O-N 3.34Å
201	P	28.9	Very low	25.8	Very low	115 Å²	115	136 Å²	136	75%	0.747	75%	0.751	S	S	*	*			trans	-73.7	147.1	-173.8	28.6	-34.8	0	0	0	113.5	S203	P201-S203 PolarHBondContact O-N 3.06Å
202	A	30.4	Very low	25.6	Very low	82 Å²	82	137.1 Å²	137.1	68%	0.678	75%	0.752	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.8	68.2	-169.8	0	0	0	0	0	114.3	V315	A202-V315 HydrophobicContact CB-CG2 4.19Å
203	S	28.1	Very low	25.6	Very low	102 Å²	102	136.1 Å²	136.1	71%	0.713	75%	0.748	S	S	*	*	T	Hydrogen-bonded Turn	trans	-139.3	-3.4	172.5	69.5	0	0	0	0	116.1	P201	P201-S203 PolarHBondContact O-N 3.06Å
204	T	24.9	Very low	26	Very low	116 Å²	116	134.9 Å²	134.9	71%	0.712	73%	0.732	S	S	*	*	S	Bend	trans	-137.3	23.1	-171.8	-26.8	0	0	0	0	116.5
205	V	26.8	Very low	26.1	Very low	97 Å²	97	134.4 Å²	134.4	59%	0.588	74%	0.735	S	S	*	*			trans	-118.3	79.8	179.8	-167.3	0	0	0	0	113.5
206	W	28.8	Very low	26.3	Very low	225 Å²	225	134.5 Å²	134.5	85%	0.852	73%	0.73	S	S	*	*			trans	-127.7	9.5	152.2	-74.3	102.1	0	0	0	111.8
207	R	23.9	Very low	26.8	Very low	231 Å²	231	126.4 Å²	126.4	87%	0.872	70%	0.698	S	S	*	*	S	Bend	trans	-95.9	111.2	175.4	-72.8	-171.3	177.8	-165	1.2	109.3
208	R	23.4	Very low	27.2	Very low	222 Å²	222	125.6 Å²	125.6	84%	0.838	69%	0.689	S	S	*	*	S	Bend	trans	65.2	136.1	-160.7	-61.5	176.7	167.9	141.6	-2.9	112	V210	R208-V210 HydrophobicContact CB-CG2 4.29Å; R208-V210 PolarHBondContact O-N 3.39Å
209	A	25.8	Very low	28	Very low	100 Å²	100	123.6 Å²	123.6	83%	0.826	69%	0.686	S	S	*	*			trans	-69.3	83.9	154.2	0	0	0	0	0	107.2	V211	A209-V211 PolarHBondContact O-N 2.9Å
210	V	24.1	Very low	29.1	Very low	92 Å²	92	116.4 Å²	116.4	56%	0.558	66%	0.655	S	S	*	*			trans	-64	108.6	164.4	177.5	0	0	0	0	105.3	R208 L212	R208-V210 HydrophobicContact CB-CG2 4.29Å; R208-V210 PolarHBondContact O-N 3.39Å; V210-L212 PolarHBondContact O-N 3.24Å
211	V	26.3	Very low	30.3	Very low	93 Å²	93	112.8 Å²	112.8	56%	0.564	64%	0.636	S	S	*	*			trans	-67.5	90	171	179.8	0	0	0	0	106.3	A209 P213 Y523	A209-V211 PolarHBondContact O-N 2.9Å; V211-P213 WeakPolarHBondContact O-CD 3.29Å; V211-P213 VanDerWaalsContact O-N 3.16Å; V211-Y523 HydrophobicContact CG1-CE2 3.84Å
212	L	23.6	Very low	31.7	Very low	125 Å²	125	107.3 Å²	107.3	65%	0.654	60%	0.601	S	S	*	*			trans	-52.5	119.2	165.9	-70.5	172	0	0	0	106.4	V210 P214	V210-L212 PolarHBondContact O-N 3.24Å; L212-P214 WeakPolarHBondContact O-CD 3.46Å; L212-P214 VanDerWaalsContact O-N 3.09Å
213	P	26.1	Very low	33.5	Very low	109 Å²	109	103.5 Å²	103.5	71%	0.708	57%	0.569	S	S	*	*			trans	-63.5	114.4	177.5	25.5	-31.9	0	0	0	107.5	V211 S215	V211-P213 WeakPolarHBondContact O-CD 3.29Å; V211-P213 VanDerWaalsContact O-N 3.16Å; P213-S215 PolarHBondContact O-N 3.22Å
214	P	31.9	Very low	35.6	Very low	64 Å²	64	100.9 Å²	100.9	42%	0.416	55%	0.546	S	S	.	.			trans	-66.6	130	178.3	-15.5	31.1	0	0	0	107.8	L212 H216	L212-P214 WeakPolarHBondContact O-CD 3.46Å; L212-P214 VanDerWaalsContact O-N 3.09Å; P214-H216 PolarHBondContact O-N 3Å
215	S	29.9	Very low	37.7	Very low	117 Å²	117	95.7 Å²	95.7	82%	0.818	51%	0.514	S	S	*	.			trans	-45.4	117.4	174.7	54.4	0	0	0	0	110.1	P213 G217	P213-S215 PolarHBondContact O-N 3.22Å; S215-G217 PolarHBondContact O-N 3.46Å
216	H	29.3	Very low	39.4	Very low	157 Å²	157	91.6 Å²	91.6	73%	0.727	49%	0.489	S	S	*	.	S	Bend	trans	-55.3	101.9	-160.4	-74.6	-81.8	0	0	0	113.8	P214	P214-H216 PolarHBondContact O-N 3Å
217	G	33.3	Very low	40.6	Very low	22 Å²	22	81.8 Å²	81.8	23%	0.227	45%	0.454	C	S	.	.	S	Bend	trans	-156.6	142.1	171	0	0	0	0	0	109.5	S215 C219	S215-G217 PolarHBondContact O-N 3.46Å; G217-C219 PolarHBondContact O-N 3.34Å
218	N	34.8	Very low	41.9	Very low	120 Å²	120	73.5 Å²	73.5	64%	0.642	43%	0.431	S	S	*	.			trans	-74.3	88	-171.8	-70.7	4.4	0	0	0	110.9	T220	N218-T220 HydrophobicContact CB-CG2 4.49Å; N218-T220 PolarHBondContact O-N 2.97Å
219	C	41.7	Very low	42.6	Very low	101 Å²	101	64.4 Å²	64.4	68%	0.682	40%	0.402	S	S	*	.			trans	-73.8	58.6	174.8	-65.7	0	0	0	0	112.4	G217	G217-C219 PolarHBondContact O-N 3.34Å
220	T	44.7	Very low	43.1	Very low	48 Å²	48	63.7 Å²	63.7	29%	0.294	38%	0.38	S	S	.	.			trans	-80.3	-14.9	172.4	56.9	0	0	0	0	112.9	N218 G222 H514 G518	N218-T220 HydrophobicContact CB-CG2 4.49Å; N218-T220 PolarHBondContact O-N 2.97Å; T220-G222 PolarHBondContact O-N 2.74Å; T220-G222 VanDerWaalsContact O-N 3.1Å; T220-H514 PolarHBondContact OG1-CE1 3.49Å; T220-G518 CarbonylContact O-C 3.04Å; T220-G518 VanDerWaalsContact O-C 3.23Å; T220-G518 WeakPolarHBondContact O-CA 2.96Å; T220-G518 VanDerWaalsContact O-O 3.12Å
221	A	50.4	Low	43.4	Very low	30 Å²	30	63.4 Å²	63.4	25%	0.248	38%	0.38	C	S	.	.			trans	-81.4	89.5	178.6	0	0	0	0	0	111.5	E224 S283	A221-E224 HydrophobicContact CB-CB 4.32Å; A221-S283 VanDerWaalsContact O-CB 3.25Å; A221-S283 WeakPolarHBondContact O-CB 3.21Å
222	G	58.3	Low	43.5	Very low	0 Å²	0	63.8 Å²	63.8	0%	0	38%	0.383	C	S	.	.	S	Bend	trans	-70.2	-46.7	173.1	0	0	0	0	0	114.1	T220 S283	T220-G222 PolarHBondContact O-N 2.74Å; T220-G222 VanDerWaalsContact O-N 3.1Å; G222-S283 WeakPolarHBondContact O-CB 3.41Å; G222-S283 PolarHBondContact O-N 3.12Å; G222-S283 PolarHBondContact O-OG 3.3Å
223	I	67.2	Low	43.5	Very low	2 Å²	2	64.4 Å²	64.4	1%	0.01	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	117.1	162.8	-58	174.7	0	0	0	106.1	V225 W280 E281 F282 Y292 F295 C513	I223-V225 HydrophobicContact CG2-CG2 3.93Å; I223-W280 HydrophobicContact CG2-CE3 4.02Å; I223-E281 CarbonylContact C-O 3.58Å; I223-E281 VanDerWaalsContact CA-O 3.25Å; I223-E281 WeakPolarHBondContact CA-O 3.37Å; I223-F282 HydrophobicContact CD1-CD1 4.04Å; I223-F282 HydrophobicContact CD1-CE1 3.9Å; I223-F282 HydrophobicContact CG1-CD1 4.15Å; I223-F282 HydrophobicContact CG1-CE1 4.46Å; I223-Y292 HydrophobicContact CD1-CD1 3.97Å; I223-Y292 HydrophobicContact CD1-CE1 4.02Å; I223-Y292 HydrophobicContact CG1-CD1 4.3Å; I223-Y292 HydrophobicContact CG1-CE1 3.82Å; I223-F295 HydrophobicContact CD1-CB 3.89Å; I223-F295 HydrophobicContact CD1-CD2 3.34Å; I223-F295 HydrophobicContact CD1-CE2 3.99Å; I223-F295 HydrophobicContact CD1-CG 3.65Å; I223-C513 HydrophobicContact CB-CB 4.12Å; I223-C513 WeakPolarHBondContact O-CB 3.16Å
224	E	71.9	Confident	43.5	Very low	48 Å²	48	66.5 Å²	66.5	22%	0.224	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	121.2	173.9	-163	-177.9	126.8	0	0	109.3	A221 T226 W280 E281	A221-E224 HydrophobicContact CB-CB 4.32Å; E224-T226 HydrophobicContact CG-CG2 4.44Å; E224-W280 WeakPolarHBondContact O-CA 3.29Å; E224-E281 HydrophobicContact CB-CB 4.27Å; E224-E281 PolarHBondContact N-O 3.29Å; E224-E281 PolarHBondContact O-N 2.93Å
225	V	69.4	Low	43.1	Very low	6 Å²	6	69.4 Å²	69.4	4%	0.036	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	112.2	-177.3	-175.8	0	0	0	0	109.8	I223 W280 P509 N510 C513	I223-V225 HydrophobicContact CG2-CG2 3.93Å; V225-W280 HydrophobicContact CG1-CD2 4.03Å; V225-W280 HydrophobicContact CG1-CE3 4.45Å; V225-W280 HydrophobicContact CG1-CH2 3.99Å; V225-W280 HydrophobicContact CG1-CZ2 3.53Å; V225-W280 HydrophobicContact CG1-CZ3 4.43Å; V225-W280 HydrophobicContact CG2-CD2 3.86Å; V225-W280 HydrophobicContact CG2-CE3 3.56Å; V225-W280 HydrophobicContact CG2-CH2 3.92Å; V225-W280 HydrophobicContact CG2-CZ2 4.22Å; V225-W280 HydrophobicContact CG2-CZ3 3.59Å; V225-P509 HydrophobicContact CG1-CB 4.04Å; V225-N510 PolarHBondContact O-OD1 2.85Å; V225-C513 HydrophobicContact CG2-CB 3.9Å
226	T	61.8	Low	42.8	Very low	12 Å²	12	68.1 Å²	68.1	7%	0.074	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	110.1	174.4	88.1	0	0	0	0	111.7	R175 E224 T279	R175-T226 PolarHBondContact NH2-OG1 3.44Å; E224-T226 HydrophobicContact CG-CG2 4.44Å; T226-T279 PolarHBondContact N-O 3.3Å; T226-T279 PolarHBondContact O-N 2.95Å; T226-T279 PolarHBondContact OG1-OG1 2.99Å
227	T	55.5	Low	42.6	Very low	19 Å²	19	68.2 Å²	68.2	12%	0.117	40%	0.4	C	S	.	.			trans	-82.2	163.7	159.2	56	0	0	0	0	109.9	S229 R269 G488	T227-S229 VanDerWaalsContact C-N 3.26Å; T227-S229 PolarHBondContact O-N 3.36Å; T227-S229 PolarHBondContact OG1-O 2.8Å; T227-S229 PolarHBondContact OG1-OG 3Å; T227-R269 WeakPolarHBondContact O-CD 3.49Å; T227-R269 PolarHBondContact O-NH1 3.43Å; T227-G488 WeakPolarHBondContact CG2-O 3.3Å
228	S	50.7	Low	42.1	Very low	56 Å²	56	78.6 Å²	78.6	39%	0.392	43%	0.433	S	S	.	.	S	Bend	trans	-69.8	-22.2	178.5	53.8	0	0	0	0	113.9	R154 E276	R154-S228 PolarHBondContact NH1-OG 2.97Å; R154-S228 VanDerWaalsContact NH1-OG 3.13Å; S228-E276 WeakPolarHBondContact CB-OE1 3.31Å; S228-E276 PolarHBondContact OG-OE1 2.94Å
229	S	37.3	Very low	41.7	Very low	32 Å²	32	78.8 Å²	78.8	22%	0.224	44%	0.442	C	S	.	.	S	Bend	trans	-84.7	147	179.3	59.9	0	0	0	0	113.4	T227 R269	T227-S229 VanDerWaalsContact C-N 3.26Å; T227-S229 PolarHBondContact O-N 3.36Å; T227-S229 PolarHBondContact OG1-O 2.8Å; T227-S229 PolarHBondContact OG1-OG 3Å; S229-R269 PolarHBondContact O-NH1 3.25Å; S229-R269 VanDerWaalsContact O-NH1 3.07Å
230	F	37.1	Very low	40.9	Very low	85 Å²	85	77.4 Å²	77.4	37%	0.373	45%	0.445	S	S	.	.			trans	67.4	121.9	170	-60.4	-72.3	0	0	0	118.8	R269 S443 K447	F230-R269 PolarHBondContact O-NH1 3.17Å; F230-R269 PolarHBondContact O-NH2 3.02Å; F230-R269 VanDerWaalsContact O-NH2 3.15Å; F230-S443 WeakPolarHBondContact CE2-OG 3.34Å; F230-S443 VanDerWaalsContact CZ-OG 3.31Å; F230-S443 WeakPolarHBondContact CZ-OG 3.19Å; F230-K447 VanDerWaalsContact CE1-CE 3.43Å; F230-K447 VanDerWaalsContact CZ-CE 3.5Å
231	P	30.3	Very low	39.8	Very low	85 Å²	85	84.6 Å²	84.6	55%	0.552	48%	0.475	S	S	*	.	P	Polyproline II helix	trans	-75.4	142	146.9	33.8	-29.7	0	0	0	109.6
232	T	27.9	Very low	38.7	Very low	102 Å²	102	85.9 Å²	85.9	63%	0.626	49%	0.491	S	S	*	.	P	Polyproline II helix	trans	-75	132.8	173.7	32.2	0	0	0	0	110.6	F234	T232-F234 PolarHBondContact O-N 3.25Å
233	T	24.8	Very low	37	Very low	138 Å²	138	92 Å²	92	85%	0.847	53%	0.528	S	S	*	.	P	Polyproline II helix	trans	-72	124.2	175.6	-31.8	0	0	0	0	109.4	V235	T233-V235 PolarHBondContact O-N 2.75Å
234	F	25.1	Very low	34.9	Very low	153 Å²	153	101.8 Å²	101.8	67%	0.671	57%	0.571	S	S	*	*	P	Polyproline II helix	trans	-78.5	117.4	-172.4	-151.4	-91.1	0	0	0	111.2	T232 P236 P262	T232-F234 PolarHBondContact O-N 3.25Å; F234-P236 HydrophobicContact CD1-CB 4.12Å; F234-P236 HydrophobicContact CE1-CB 4.02Å; F234-P262 HydrophobicContact CZ-CB 4.4Å
235	V	24.7	Very low	32.5	Very low	124 Å²	124	106.1 Å²	106.1	75%	0.752	60%	0.596	S	S	*	*			trans	-104.5	102.9	164.4	-178.6	0	0	0	0	107.4	T233 L237	T233-V235 PolarHBondContact O-N 2.75Å; V235-L237 PolarHBondContact O-N 2.85Å; V235-L237 VanDerWaalsContact O-N 3.12Å
236	P	23.6	Very low	30.3	Very low	91 Å²	91	113.4 Å²	113.4	59%	0.591	63%	0.63	S	S	*	*			trans	-72.1	108.6	179.9	28.2	-31.6	0	0	0	109.7	F234 R238	F234-P236 HydrophobicContact CD1-CB 4.12Å; F234-P236 HydrophobicContact CE1-CB 4.02Å; P236-R238 PolarHBondContact O-N 3.39Å; P236-R238 VanDerWaalsContact O-N 3.09Å
237	L	24.8	Very low	28.4	Very low	158 Å²	158	121.1 Å²	121.1	83%	0.827	66%	0.662	S	S	*	*			trans	-58.9	112.6	168.8	-71.6	168.7	0	0	0	108.8	V235 C239	V235-L237 PolarHBondContact O-N 2.85Å; V235-L237 VanDerWaalsContact O-N 3.12Å; L237-C239 PolarHBondContact O-N 3.39Å
238	R	22	Very low	26.7	Very low	240 Å²	240	125.3 Å²	125.3	91%	0.906	69%	0.693	S	S	*	*			trans	-72.1	106.3	169.3	-71.7	-174.5	176.4	-168.6	-0.9	108.2	P236 G240	P236-R238 PolarHBondContact O-N 3.39Å; P236-R238 VanDerWaalsContact O-N 3.09Å; R238-G240 PolarHBondContact O-N 3.39Å; R238-G240 VanDerWaalsContact O-N 3.12Å
239	C	25.6	Very low	25.3	Very low	125 Å²	125	129.5 Å²	129.5	85%	0.845	72%	0.715	S	S	*	*			trans	-58.5	114.8	166.4	-60.6	0	0	0	0	108.6	L237	L237-C239 PolarHBondContact O-N 3.39Å
240	G	25.2	Very low	24.5	Very low	71 Å²	71	136.7 Å²	136.7	73%	0.732	75%	0.745	S	S	*	*			trans	-74	135.8	175.8	0	0	0	0	0	110.8	R238 G242	R238-G240 PolarHBondContact O-N 3.39Å; R238-G240 VanDerWaalsContact O-N 3.12Å; G240-G242 VanDerWaalsContact C-N 3.29Å; G240-G242 PolarHBondContact O-N 3.28Å
241	E	22.5	Very low	23.7	Very low	200 Å²	200	140.2 Å²	140.2	94%	0.935	77%	0.767	S	S	*	*			trans	-72.9	82.1	177	-64.7	-179.9	134.4	0	0	110.3
242	G	26.6	Very low	23.3	Very low	57 Å²	57	143.6 Å²	143.6	59%	0.588	78%	0.781	S	S	*	*			trans	-93.2	99.3	-178.7	0	0	0	0	0	112.4	G240 F244	G240-G242 VanDerWaalsContact C-N 3.29Å; G240-G242 PolarHBondContact O-N 3.28Å; G242-F244 PolarHBondContact O-N 2.86Å
243	V	23.6	Very low	23.2	Very low	128 Å²	128	145.6 Å²	145.6	78%	0.776	79%	0.786	S	S	*	*			trans	-44.6	102.1	-178	-176.9	0	0	0	0	113.5
244	F	23.3	Very low	23.2	Very low	207 Å²	207	146.2 Å²	146.2	91%	0.908	78%	0.784	S	S	*	*			trans	-77	123.9	165	-92.9	-88.4	0	0	0	110	G242	G242-F244 PolarHBondContact O-N 2.86Å
245	N	21.4	Very low	23.1	Very low	139 Å²	139	146.7 Å²	146.7	74%	0.743	79%	0.794	S	S	*	*			trans	-139.6	153.1	176.5	-132.2	-27.5	0	0	0	109.8
246	Q	22.6	Very low	23.1	Very low	160 Å²	160	146.4 Å²	146.4	75%	0.748	79%	0.792	S	S	*	*			trans	80.9	103.5	174.6	-62.4	-166.1	-3.4	0	0	119.9
247	F	21.3	Very low	22.9	Very low	174 Å²	174	151.6 Å²	151.6	76%	0.763	81%	0.805	S	S	*	*			trans	77.8	100.3	141.7	-58.2	-57.9	0	0	0	123
248	S	20.3	Very low	23	Very low	107 Å²	107	149.8 Å²	149.8	75%	0.748	80%	0.796	S	S	*	*			trans	51	124.2	135	58.5	0	0	0	0	119.2
249	V	20.5	Very low	22.9	Very low	143 Å²	143	146.9 Å²	146.9	87%	0.867	79%	0.792	S	S	*	*				-128.5	150.3	50.6	173.3	0	0	0	0	112.7
250	Q	20.7	Very low	22.9	Very low	184 Å²	184	148.7 Å²	148.7	86%	0.86	78%	0.783	S	S	*	*			trans	-75	132.1	178.1	-68.8	170.7	-92.5	0	0	113.2
251	L	20.3	Very low	22.7	Very low	159 Å²	159	150.7 Å²	150.7	83%	0.832	78%	0.781	S	S	*	*			trans	-147.9	134.3	152.5	-98.3	163.3	0	0	0	106.5	I253	L251-I253 PolarHBondContact O-N 2.9Å
252	D	22.6	Very low	22.8	Very low	156 Å²	156	145.8 Å²	145.8	83%	0.834	77%	0.767	S	S	*	*			trans	-74.1	123.3	-173.2	-86.3	-61.8	0	0	0	112.6
253	I	25.3	Very low	22.8	Very low	144 Å²	144	151.8 Å²	151.8	74%	0.738	77%	0.771	S	S	*	*			trans	-117.9	-7.4	-175.4	-69.6	167.6	0	0	0	112.3	L251 N255	L251-I253 PolarHBondContact O-N 2.9Å; I253-N255 VanDerWaalsContact C-N 3.28Å; I253-N255 PolarHBondContact O-N 2.61Å
254	N	25.5	Very low	22.7	Very low	151 Å²	151	150.5 Å²	150.5	81%	0.807	77%	0.768	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.2	9.7	-160.2	-79.2	-21.1	0	0	0	118
255	N	22.2	Very low	22.7	Very low	163 Å²	163	144.5 Å²	144.5	87%	0.872	75%	0.752	S	S	*	*	T	Hydrogen-bonded Turn	trans	-127.6	18	-166.5	-103.9	-10.4	0	0	0	117.6	I253	I253-N255 VanDerWaalsContact C-N 3.28Å; I253-N255 PolarHBondContact O-N 2.61Å
256	V	24.7	Very low	23	Very low	118 Å²	118	142.1 Å²	142.1	72%	0.715	75%	0.746	S	S	*	*			trans	-124.7	98.2	169	-176.7	0	0	0	0	111.3	L258	V256-L258 HydrophobicContact CG1-CD1 4Å; V256-L258 HydrophobicContact CG1-CG 4Å
257	K	20.4	Very low	23.2	Very low	199 Å²	199	140.9 Å²	140.9	87%	0.865	74%	0.744	S	S	*	*			trans	-88.2	111.2	166.7	-73.7	-173.5	175.7	-174.6	0	109.8
258	L	25.7	Very low	23.6	Very low	120 Å²	120	137.3 Å²	137.3	63%	0.628	74%	0.737	S	S	*	*			trans	-113.9	104.3	167.7	-77.7	166.6	0	0	0	109.1	V256 Y260	V256-L258 HydrophobicContact CG1-CD1 4Å; V256-L258 HydrophobicContact CG1-CG 4Å; L258-Y260 PolarHBondContact O-N 3.06Å
259	E	21	Very low	24.9	Very low	179 Å²	179	136 Å²	136	84%	0.836	72%	0.715	S	S	*	*			trans	-77	105.2	179.5	-68.2	-171.2	156.4	0	0	110.8	T261	E259-T261 PolarHBondContact O-N 3.24Å
260	Y	25.3	Very low	26.7	Very low	163 Å²	163	131.1 Å²	131.1	64%	0.639	69%	0.687	S	S	*	*			trans	-78.5	85.3	-179.5	-138.5	-93.4	0	0	0	110.4	L258 P262	L258-Y260 PolarHBondContact O-N 3.06Å; Y260-P262 WeakPolarHBondContact O-CD 3.45Å
261	T	21	Very low	28.5	Very low	113 Å²	113	122.4 Å²	122.4	69%	0.693	65%	0.647	S	S	*	*	P	Polyproline II helix	trans	-58.7	120.8	177.1	52.7	0	0	0	0	110.7	E259 R263	E259-T261 PolarHBondContact O-N 3.24Å; T261-R263 PolarHBondContact O-N 2.97Å
262	P	23.5	Very low	30.3	Very low	98 Å²	98	121.7 Å²	121.7	64%	0.636	63%	0.633	S	S	*	*	P	Polyproline II helix	trans	-66	121.7	-177.9	25.4	-33.1	0	0	0	110.6	F234 Y260 S264	F234-P262 HydrophobicContact CZ-CB 4.4Å; Y260-P262 WeakPolarHBondContact O-CD 3.45Å; P262-S264 PolarHBondContact O-N 2.87Å; P262-S264 VanDerWaalsContact O-N 3.16Å
263	R	27.2	Very low	32.1	Very low	182 Å²	182	117.5 Å²	117.5	69%	0.687	63%	0.627	S	S	*	*	P	Polyproline II helix	trans	-55.8	116.1	-176.6	-81.6	172.9	157.4	165.8	-11.1	111.3	E172 T261	E172-R263 IonicContact OE1-CZ 3.5Å; E172-R263 IonicContact OE1-NH2 3.96Å; E172-R263 PolarHBondContact OE1-NH2 2.99Å; T261-R263 PolarHBondContact O-N 2.97Å
264	S	21.6	Very low	33.7	Very low	102 Å²	102	111.4 Å²	111.4	71%	0.713	60%	0.597	S	S	*	*	P	Polyproline II helix	trans	-93.1	163.3	-177	58.9	0	0	0	0	113.7	P262	P262-S264 PolarHBondContact O-N 2.87Å; P262-S264 VanDerWaalsContact O-N 3.16Å
265	S	24.2	Very low	35.7	Very low	81 Å²	81	105.6 Å²	105.6	57%	0.566	57%	0.57	S	S	*	*			trans	52.7	94.2	159.9	54.1	0	0	0	0	118.6	L267	S265-L267 PolarHBondContact O-N 2.95Å
266	S	27.6	Very low	38.4	Very low	88 Å²	88	100.5 Å²	100.5	62%	0.615	54%	0.541	S	S	*	.				6.1	100.8	123.3	57.3	0	0	0	0	117.6
267	L	26.5	Very low	41.4	Very low	134 Å²	134	95.3 Å²	95.3	70%	0.702	51%	0.509	S	S	*	.			trans	-139.6	160.8	159.2	-92.5	111.7	0	0	0	111	S265 R269	S265-L267 PolarHBondContact O-N 2.95Å; L267-R269 PolarHBondContact O-N 3.08Å; L267-R269 VanDerWaalsContact O-N 3.14Å
268	T	29	Very low	44.6	Very low	100 Å²	100	85.8 Å²	85.8	61%	0.613	47%	0.467	S	S	*	.			trans	-51	112	-174	55.1	0	0	0	0	112.6	S270	T268-S270 PolarHBondContact O-N 2.82Å
269	R	49.2	Very low	47.7	Very low	78 Å²	78	80.2 Å²	80.2	29%	0.294	44%	0.438	S	S	.	.			trans	-76	-10.2	-169.4	-75.4	175	170.8	153.2	4.3	116.5	T227 S229 F230 L267	T227-R269 WeakPolarHBondContact O-CD 3.49Å; T227-R269 PolarHBondContact O-NH1 3.43Å; S229-R269 PolarHBondContact O-NH1 3.25Å; S229-R269 VanDerWaalsContact O-NH1 3.07Å; F230-R269 PolarHBondContact O-NH1 3.17Å; F230-R269 PolarHBondContact O-NH2 3.02Å; F230-R269 VanDerWaalsContact O-NH2 3.15Å; L267-R269 PolarHBondContact O-N 3.08Å; L267-R269 VanDerWaalsContact O-N 3.14Å
270	S	58	Low	51	Low	41 Å²	41	71.8 Å²	71.8	29%	0.287	40%	0.399	S	S	.	.	S	Bend	trans	-63.3	142.9	-180	-166.5	0	0	0	0	111.7	T268 R272	T268-S270 PolarHBondContact O-N 2.82Å; S270-R272 PolarHBondContact O-N 2.85Å; S270-R272 VanDerWaalsContact O-N 3.08Å
271	I	57.1	Low	54.1	Low	2 Å²	2	64.8 Å²	64.8	1%	0.01	37%	0.372	C	S	.	.			trans	-67.6	104.9	177.3	-68.6	175.6	0	0	0	108.1	L157 L174 G273 C274 F277 T279 K414 L417	L157-I271 HydrophobicContact CD2-CD1 3.74Å; L174-I271 HydrophobicContact CB-CD1 4.39Å; L174-I271 HydrophobicContact CB-CG1 4.33Å; L174-I271 HydrophobicContact CB-CG2 4.04Å; L174-I271 HydrophobicContact CD1-CD1 4.41Å; L174-I271 HydrophobicContact CD2-CG2 4.38Å; L174-I271 WeakPolarHBondContact O-CG2 3.44Å; I271-G273 PolarHBondContact O-N 2.77Å; I271-G273 VanDerWaalsContact O-N 3.16Å; I271-C274 HydrophobicContact CB-CB 4.03Å; I271-C274 HydrophobicContact CG2-CB 3.74Å; I271-C274 VanDerWaalsContact CG2-SG 3.57Å; I271-C274 CarbonylContact O-C 3.58Å; I271-C274 WeakPolarHBondContact O-CA 3.32Å; I271-C274 PolarHBondContact O-N 3.5Å; I271-C274 VanDerWaalsContact O-O 3.09Å; I271-F277 HydrophobicContact CD1-CD2 4.06Å; I271-T279 HydrophobicContact CD1-CG2 4.47Å; I271-K414 HydrophobicContact CG2-CG 4.43Å; I271-L417 HydrophobicContact CD1-CD1 4.49Å
272	R	57.9	Low	57.5	Low	143 Å²	143	59.4 Å²	59.4	54%	0.54	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	118.7	-174.7	-72.6	-173.3	174.5	-156.3	-0.2	111.2	R175 S270 K414	R175-R272 WeakPolarHBondContact O-CB 3.33Å; R175-R272 WeakPolarHBondContact O-CG 3.16Å; S270-R272 PolarHBondContact O-N 2.85Å; S270-R272 VanDerWaalsContact O-N 3.08Å; R272-K414 PolarHBondContact O-NZ 3.03Å
273	G	60.7	Low	60.5	Low	68 Å²	68	55.6 Å²	55.6	70%	0.701	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	103.4	-13.4	-172.7	0	0	0	0	0	113.9	I271	I271-G273 PolarHBondContact O-N 2.77Å; I271-G273 VanDerWaalsContact O-N 3.16Å
274	C	58.9	Low	63.4	Low	17 Å²	17	47 Å²	47	12%	0.115	28%	0.283	C	S	.	.	S	Bend	trans	-109.7	167.9	167.3	-58.8	0	0	0	0	110.3	I271 F277 K414	I271-C274 HydrophobicContact CB-CB 4.03Å; I271-C274 HydrophobicContact CG2-CB 3.74Å; I271-C274 VanDerWaalsContact CG2-SG 3.57Å; I271-C274 CarbonylContact O-C 3.58Å; I271-C274 WeakPolarHBondContact O-CA 3.32Å; I271-C274 PolarHBondContact O-N 3.5Å; I271-C274 VanDerWaalsContact O-O 3.09Å; C274-F277 HydrophobicContact CB-CE2 4.1Å; C274-K414 PolarHBondContact SG-O 3.24Å
275	A	68.6	Low	66.4	Low	29 Å²	29	45.8 Å²	45.8	24%	0.24	26%	0.263	C	S	.	.			trans	-77.2	174.9	164	0	0	0	0	0	111.5	F277 L418	A275-F277 VanDerWaalsContact O-CD2 3.28Å; A275-F277 WeakPolarHBondContact O-CD2 3.02Å; A275-L418 HydrophobicContact CB-CD1 4.29Å
276	E	78.4	Confident	69.3	Low	55 Å²	55	45.8 Å²	45.8	26%	0.257	26%	0.261	S	S	.	.			trans	-67.1	140.7	-170.4	-157.3	-176.8	145.7	0	0	113.3	R154 S228 R421	R154-E276 HydrophobicContact CB-CB 4.4Å; R154-E276 WeakPolarHBondContact CD-OE1 2.98Å; R154-E276 HydrophobicContact CG-CB 4.3Å; R154-E276 HydrophobicContact CG-CG 4.16Å; R154-E276 IonicContact CZ-OE1 3.09Å; R154-E276 IonicContact NE-OE1 3.27Å; R154-E276 IonicContact NH1-OE1 3.75Å; R154-E276 PolarHBondContact NH1-OE1 2.88Å; S228-E276 WeakPolarHBondContact CB-OE1 3.31Å; S228-E276 PolarHBondContact OG-OE1 2.94Å; E276-R421 PolarHBondContact O-NE 2.75Å
277	F	87.8	Confident	72.1	Confident	9 Å²	9	43.5 Å²	43.5	4%	0.039	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	145.2	173.3	-72.5	-80.8	0	0	0	110.8	I155 L157 I271 C274 A275 T279 I302 L417 R421	I155-F277 HydrophobicContact CD1-CE1 4.07Å; I155-F277 HydrophobicContact CG1-CD1 3.87Å; I155-F277 HydrophobicContact CG1-CE1 3.74Å; I155-F277 WeakPolarHBondContact O-CA 3.4Å; L157-F277 HydrophobicContact CB-CB 4.01Å; L157-F277 HydrophobicContact CB-CD1 3.71Å; L157-F277 HydrophobicContact CB-CE1 4.38Å; L157-F277 HydrophobicContact CB-CG 4.01Å; L157-F277 HydrophobicContact CD2-CG 4.41Å; I271-F277 HydrophobicContact CD1-CD2 4.06Å; C274-F277 HydrophobicContact CB-CE2 4.1Å; A275-F277 VanDerWaalsContact O-CD2 3.28Å; A275-F277 WeakPolarHBondContact O-CD2 3.02Å; F277-T279 HydrophobicContact CB-CG2 4.28Å; F277-I302 HydrophobicContact CE1-CD1 3.88Å; F277-I302 HydrophobicContact CZ-CD1 4.02Å; F277-L417 HydrophobicContact CE2-CB 4.15Å; F277-L417 HydrophobicContact CZ-CB 4.05Å; F277-L417 HydrophobicContact CZ-CD2 4.5Å; F277-R421 HydrophobicContact CE1-CB 4.16Å; F277-R421 HydrophobicContact CE1-CG 4.3Å; F277-R421 HydrophobicContact CZ-CB 3.88Å; F277-R421 HydrophobicContact CZ-CG 4.25Å
278	S	88.1	Confident	75.1	Confident	0 Å²	0	37.3 Å²	37.3	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	113.8	159.6	173.7	0	0	0	0	107.1	I155 K156 L157 W280 I487	I155-S278 PolarHBondContact O-N 3.28Å; K156-S278 CarbonylContact C-O 3.54Å; K156-S278 WeakPolarHBondContact CA-O 3.27Å; L157-S278 PolarHBondContact N-O 3.17Å; S278-W280 PolarHBondContact OG-NE1 3.33Å; S278-I487 WeakPolarHBondContact CB-O 3.42Å
279	T	89.8	Confident	77.9	Confident	3 Å²	3	34.4 Å²	34.4	2%	0.018	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	129	-174.2	63	0	0	0	0	111	L157 L171 R175 T226 I271 F277	L157-T279 HydrophobicContact CB-CG2 4.42Å; L157-T279 HydrophobicContact CD2-CG2 4.33Å; L157-T279 WeakPolarHBondContact O-CA 3.4Å; L171-T279 HydrophobicContact CD2-CG2 3.9Å; R175-T279 PolarHBondContact NH2-OG1 3.33Å; R175-T279 VanDerWaalsContact NH2-OG1 3.15Å; T226-T279 PolarHBondContact N-O 3.3Å; T226-T279 PolarHBondContact O-N 2.95Å; T226-T279 PolarHBondContact OG1-OG1 2.99Å; I271-T279 HydrophobicContact CD1-CG2 4.47Å; F277-T279 HydrophobicContact CB-CG2 4.28Å
280	W	91.6	Very high	79.8	Confident	1 Å²	1	31.4 Å²	31.4	0%	0.004	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	104.7	-178.2	-67	62.2	0	0	0	108.5	K156 L157 K158 L159 I223 E224 V225 S278 F282 F295 V491 P509	K156-W280 HydrophobicContact CD-CZ2 4.49Å; L157-W280 PolarHBondContact O-N 2.94Å; K158-W280 WeakPolarHBondContact CA-O 3.35Å; K158-W280 HydrophobicContact CG-CB 4.23Å; L159-W280 PolarHBondContact N-O 3.02Å; I223-W280 HydrophobicContact CG2-CE3 4.02Å; E224-W280 WeakPolarHBondContact O-CA 3.29Å; V225-W280 HydrophobicContact CG1-CD2 4.03Å; V225-W280 HydrophobicContact CG1-CE3 4.45Å; V225-W280 HydrophobicContact CG1-CH2 3.99Å; V225-W280 HydrophobicContact CG1-CZ2 3.53Å; V225-W280 HydrophobicContact CG1-CZ3 4.43Å; V225-W280 HydrophobicContact CG2-CD2 3.86Å; V225-W280 HydrophobicContact CG2-CE3 3.56Å; V225-W280 HydrophobicContact CG2-CH2 3.92Å; V225-W280 HydrophobicContact CG2-CZ2 4.22Å; V225-W280 HydrophobicContact CG2-CZ3 3.59Å; S278-W280 PolarHBondContact OG-NE1 3.33Å; W280-F282 HydrophobicContact CB-CE2 3.94Å; W280-F295 HydrophobicContact CZ3-CB 4.39Å; W280-F295 AromaticContact CZ3-CD1 3.89Å; W280-F295 HydrophobicContact CZ3-CD1 3.89Å; W280-F295 HydrophobicContact CZ3-CG 4.5Å; W280-V491 HydrophobicContact CH2-CG2 3.57Å; W280-V491 HydrophobicContact CZ3-CG2 4.33Å; W280-P509 HydrophobicContact CH2-CB 3.93Å; W280-P509 HydrophobicContact CZ2-CB 4.25Å
281	E	90.6	Very high	81.4	Confident	16 Å²	16	29.5 Å²	29.5	8%	0.075	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	113.3	177.3	-176.8	171.4	156.1	0	0	110.3	K167 T168 L171 I223 E224	K167-E281 VanDerWaalsContact CB-CD 3.43Å; K167-E281 HydrophobicContact CB-CG 3.8Å; K167-E281 VanDerWaalsContact CB-OE1 3.23Å; K167-E281 WeakPolarHBondContact CB-OE1 3.44Å; K167-E281 HydrophobicContact CD-CG 4.01Å; T168-E281 WeakPolarHBondContact CA-OE2 3.22Å; T168-E281 PolarHBondContact N-OE1 3.22Å; T168-E281 PolarHBondContact N-OE2 3.17Å; T168-E281 VanDerWaalsContact N-OE2 3.14Å; T168-E281 PolarHBondContact OG1-OE1 2.89Å; T168-E281 PolarHBondContact OG1-OE2 3.13Å; L171-E281 HydrophobicContact CD1-CB 4.26Å; I223-E281 CarbonylContact C-O 3.58Å; I223-E281 VanDerWaalsContact CA-O 3.25Å; I223-E281 WeakPolarHBondContact CA-O 3.37Å; E224-E281 HydrophobicContact CB-CB 4.27Å; E224-E281 PolarHBondContact N-O 3.29Å; E224-E281 PolarHBondContact O-N 2.93Å
282	F	92.1	Very high	83.1	Confident	0 Å²	0	29.5 Å²	29.5	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	117.3	176.2	-67.8	-107.1	0	0	0	108.2	K158 L159 F160 K167 I223 W280 G284 Y292 F295 I296	K158-F282 HydrophobicContact CB-CE2 4.02Å; K158-F282 HydrophobicContact CD-CE2 4.2Å; K158-F282 HydrophobicContact CD-CZ 4.44Å; K158-F282 HydrophobicContact CG-CE2 4.28Å; L159-F282 WeakPolarHBondContact O-CB 3.45Å; L159-F282 PolarHBondContact O-N 2.9Å; F160-F282 HydrophobicContact CD1-CB 4.12Å; F160-F282 HydrophobicContact CD1-CD1 4.3Å; F160-F282 AromaticContact CD1-CD2 3.95Å; F160-F282 HydrophobicContact CD1-CD2 3.95Å; F160-F282 HydrophobicContact CD1-CE2 4.49Å; F160-F282 AromaticContact CD1-CG 3.87Å; F160-F282 HydrophobicContact CD1-CG 3.87Å; F160-F282 HydrophobicContact CE1-CB 4.42Å; F160-F282 AromaticContact CE1-CD1 3.83Å; F160-F282 HydrophobicContact CE1-CD1 3.83Å; F160-F282 AromaticContact CE1-CD2 3.54Å; F160-F282 HydrophobicContact CE1-CD2 3.54Å; F160-F282 AromaticContact CE1-CE1 3.9Å; F160-F282 HydrophobicContact CE1-CE1 3.9Å; F160-F282 AromaticContact CE1-CE2 3.65Å; F160-F282 HydrophobicContact CE1-CE2 3.65Å; F160-F282 AromaticContact CE1-CG 3.66Å; F160-F282 HydrophobicContact CE1-CG 3.66Å; F160-F282 AromaticContact CE1-CZ 3.83Å; F160-F282 HydrophobicContact CE1-CZ 3.83Å; F160-F282 AromaticContact CZ-CD2 3.95Å; F160-F282 HydrophobicContact CZ-CD2 3.95Å; F160-F282 AromaticContact CZ-CE2 3.7Å; F160-F282 HydrophobicContact CZ-CE2 3.7Å; F160-F282 HydrophobicContact CZ-CG 4.5Å; F160-F282 HydrophobicContact CZ-CZ 4.02Å; K167-F282 WeakPolarHBondContact CD-O 3.28Å; K167-F282 WeakPolarHBondContact CE-O 3.29Å; K167-F282 PolarHBondContact NZ-O 3.39Å; I223-F282 HydrophobicContact CD1-CD1 4.04Å; I223-F282 HydrophobicContact CD1-CE1 3.9Å; I223-F282 HydrophobicContact CG1-CD1 4.15Å; I223-F282 HydrophobicContact CG1-CE1 4.46Å; W280-F282 HydrophobicContact CB-CE2 3.94Å; F282-G284 PolarHBondContact O-N 3.15Å; F282-Y292 HydrophobicContact CB-CE1 4.41Å; F282-Y292 HydrophobicContact CB-CE2 4.08Å; F282-Y292 AromaticContact CD1-CD1 3.62Å; F282-Y292 HydrophobicContact CD1-CD1 3.62Å; F282-Y292 AromaticContact CD1-CD2 3.94Å; F282-Y292 HydrophobicContact CD1-CD2 3.94Å; F282-Y292 AromaticContact CD1-CE1 3.73Å; F282-Y292 HydrophobicContact CD1-CE1 3.73Å; F282-Y292 HydrophobicContact CD1-CE2 4.07Å; F282-Y292 AromaticContact CD1-CG 3.7Å; F282-Y292 HydrophobicContact CD1-CG 3.7Å; F282-Y292 AromaticContact CD1-CZ 3.96Å; F282-Y292 HydrophobicContact CE1-CD1 4.11Å; F282-Y292 HydrophobicContact CE1-CG 4.15Å; F282-F295 HydrophobicContact CE1-CB 3.99Å; F282-F295 HydrophobicContact CZ-CB 4.06Å; F282-I296 HydrophobicContact CE1-CG1 4.27Å; F282-I296 HydrophobicContact CZ-CG1 4.39Å
283	S	86.2	Confident	84.5	Confident	19 Å²	19	23.7 Å²	23.7	13%	0.133	15%	0.146	C	C	.	.			trans	-53.5	-28	-169.7	70.8	0	0	0	0	114.7	S163 K167 A221 G222 Y285 Y288 Y292	S163-S283 WeakPolarHBondContact CA-O 3.27Å; S163-S283 PolarHBondContact OG-O 3.23Å; K167-S283 PolarHBondContact NZ-O 3.16Å; A221-S283 VanDerWaalsContact O-CB 3.25Å; A221-S283 WeakPolarHBondContact O-CB 3.21Å; G222-S283 WeakPolarHBondContact O-CB 3.41Å; G222-S283 PolarHBondContact O-N 3.12Å; G222-S283 PolarHBondContact O-OG 3.3Å; S283-Y285 PolarHBondContact O-N 2.85Å; S283-Y285 PolarHBondContact OG-N 3.34Å; S283-Y288 WeakPolarHBondContact OG-CD2 3.43Å; S283-Y292 PolarHBondContact N-OH 3.05Å; S283-Y292 PolarHBondContact OG-OH 3.47Å; S283-Y292 VanDerWaalsContact OG-OH 3.13Å
284	G	87	Confident	85.9	Confident	2 Å²	2	22.7 Å²	22.7	2%	0.021	12%	0.121	C	C	.	.			trans	81.2	-4.5	-176.5	0	0	0	0	0	113.7	G161 F282 H289 Y292	G161-G284 VanDerWaalsContact O-CA 3.28Å; G161-G284 WeakPolarHBondContact O-CA 3.42Å; F282-G284 PolarHBondContact O-N 3.15Å; G284-H289 PolarHBondContact O-NE2 3.46Å; G284-Y292 PolarHBondContact N-OH 2.87Å; G284-Y292 VanDerWaalsContact N-OH 3.08Å
285	Y	85.9	Confident	87.4	Confident	76 Å²	76	22.2 Å²	22.2	30%	0.298	12%	0.117	S	C	.	.			trans	-76.7	130	-176.6	-177.1	-116.4	0	0	0	110.5	S163 S283 T287 Y288 H289	S163-Y285 WeakPolarHBondContact OG-CA 3.47Å; S163-Y285 PolarHBondContact OG-N 3.18Å; S283-Y285 PolarHBondContact O-N 2.85Å; S283-Y285 PolarHBondContact OG-N 3.34Å; Y285-T287 VanDerWaalsContact C-N 3.26Å; Y285-T287 HydrophobicContact CD1-CG2 4.13Å; Y285-T287 WeakPolarHBondContact CD1-OG1 3.32Å; Y285-T287 HydrophobicContact CE1-CG2 3.56Å; Y285-T287 WeakPolarHBondContact CE1-OG1 3.47Å; Y285-T287 PolarHBondContact O-N 2.95Å; Y285-Y288 AromaticContact CD1-CD2 3.91Å; Y285-Y288 HydrophobicContact CD1-CD2 3.91Å; Y285-Y288 AromaticContact CD1-CE2 3.78Å; Y285-Y288 HydrophobicContact CD1-CE2 3.78Å; Y285-Y288 HydrophobicContact CG-CD2 4.5Å; Y285-Y288 PolarHBondContact O-N 2.94Å; Y285-Y288 VanDerWaalsContact O-N 3.12Å; Y285-H289 PolarHBondContact O-CD2 3.49Å
286	P	84.4	Confident	88.4	Confident	81 Å²	81	20.9 Å²	20.9	53%	0.526	11%	0.105	S	C	.	.	G	3₁₀ helix	trans	-56.3	-28.7	-166.3	-31	37.2	0	0	0	117.2	Y288 H289	P286-Y288 PolarHBondContact O-N 3.45Å; P286-H289 PolarHBondContact O-N 3.47Å
287	T	86.1	Confident	88.3	Confident	39 Å²	39	20 Å²	20	24%	0.239	11%	0.111	C	C	.	.	G	3₁₀ helix	trans	-65.6	-22.6	-178.5	63	0	0	0	0	112.9	Y285 F290 L521 L526	Y285-T287 VanDerWaalsContact C-N 3.26Å; Y285-T287 HydrophobicContact CD1-CG2 4.13Å; Y285-T287 WeakPolarHBondContact CD1-OG1 3.32Å; Y285-T287 HydrophobicContact CE1-CG2 3.56Å; Y285-T287 WeakPolarHBondContact CE1-OG1 3.47Å; Y285-T287 PolarHBondContact O-N 2.95Å; T287-F290 WeakPolarHBondContact O-CD1 3.28Å; T287-F290 WeakPolarHBondContact O-CE1 3.32Å; T287-L521 PolarHBondContact OG1-O 3.44Å; T287-L526 HydrophobicContact CG2-CD1 3.58Å
288	Y	88.8	Confident	88	Confident	4 Å²	4	21 Å²	21	2%	0.016	12%	0.117	C	C	.	.	G	3₁₀ helix	trans	-89.8	-13.7	179.1	-63.6	-85.7	0	0	0	114.2	S283 Y285 P286 F290 L291 Y292 I517 G518 L521	S283-Y288 WeakPolarHBondContact OG-CD2 3.43Å; Y285-Y288 AromaticContact CD1-CD2 3.91Å; Y285-Y288 HydrophobicContact CD1-CD2 3.91Å; Y285-Y288 AromaticContact CD1-CE2 3.78Å; Y285-Y288 HydrophobicContact CD1-CE2 3.78Å; Y285-Y288 HydrophobicContact CG-CD2 4.5Å; Y285-Y288 PolarHBondContact O-N 2.94Å; Y285-Y288 VanDerWaalsContact O-N 3.12Å; P286-Y288 PolarHBondContact O-N 3.45Å; Y288-F290 PolarHBondContact O-N 3.26Å; Y288-F290 VanDerWaalsContact O-N 3.13Å; Y288-L291 PolarHBondContact O-N 2.93Å; Y288-Y292 VanDerWaalsContact CB-CE1 3.44Å; Y288-Y292 HydrophobicContact CG-CE1 4.48Å; Y288-Y292 VanDerWaalsContact O-CD1 3.26Å; Y288-Y292 WeakPolarHBondContact O-CD1 3.24Å; Y288-I517 HydrophobicContact CD1-CG2 3.93Å; Y288-I517 HydrophobicContact CE1-CG2 3.89Å; Y288-G518 WeakPolarHBondContact OH-CA 3.44Å; Y288-G518 PolarHBondContact OH-O 3.03Å; Y288-G518 VanDerWaalsContact OH-O 3.1Å; Y288-L521 HydrophobicContact CD1-CB 3.91Å; Y288-L521 HydrophobicContact CD1-CD1 3.72Å; Y288-L521 HydrophobicContact CD1-CG 4.46Å; Y288-L521 HydrophobicContact CE1-CB 3.41Å; Y288-L521 VanDerWaalsContact CE1-CB 3.41Å; Y288-L521 HydrophobicContact CE1-CD1 4.01Å; Y288-L521 HydrophobicContact CE1-CG 4.28Å; Y288-L521 HydrophobicContact CE2-CB 4.21Å; Y288-L521 HydrophobicContact CG-CB 4.47Å; Y288-L521 HydrophobicContact CG-CD1 4.35Å; Y288-L521 PolarHBondContact OH-O 2.94Å
289	H	89.6	Confident	88	Confident	40 Å²	40	22.6 Å²	22.6	19%	0.185	13%	0.127	C	C	.	.	G	3₁₀ helix	trans	-59	-32.5	-168.9	-67.1	178.4	0	0	0	113.1	G284 Y285 P286 L291 Y292 F322 W323	G284-H289 PolarHBondContact O-NE2 3.46Å; Y285-H289 PolarHBondContact O-CD2 3.49Å; P286-H289 PolarHBondContact O-N 3.47Å; H289-L291 PolarHBondContact O-N 2.89Å; H289-Y292 AromaticContact CD2-CE2 3.68Å; H289-Y292 PolarHBondContact O-N 3.05Å; H289-F322 AromaticContact CE1-CE1 3.95Å; H289-F322 AromaticContact CE1-CZ 3.43Å; H289-F322 VanDerWaalsContact CE1-CZ 3.43Å; H289-F322 WeakPolarHBondContact CE1-CZ 3.2Å; H289-F322 AromaticContact CG-CZ 3.97Å; H289-F322 AromaticContact ND1-CE2 3.91Å; H289-F322 AromaticContact ND1-CZ 3.26Å; H289-F322 VanDerWaalsContact ND1-CZ 3.26Å; H289-F322 WeakPolarHBondContact ND1-CZ 3.44Å; H289-W323 AromaticContact NE2-CH2 3.85Å
290	F	89	Confident	88.1	Confident	15 Å²	15	24.9 Å²	24.9	7%	0.066	14%	0.139	C	C	.	.	G	3₁₀ helix	trans	-73.3	-8.3	-179.4	84.1	-82.9	0	0	0	115.4	T287 Y288 L521 L562 S578 G615 L618 R619	T287-F290 WeakPolarHBondContact O-CD1 3.28Å; T287-F290 WeakPolarHBondContact O-CE1 3.32Å; Y288-F290 PolarHBondContact O-N 3.26Å; Y288-F290 VanDerWaalsContact O-N 3.13Å; F290-L521 HydrophobicContact CE1-CD1 3.93Å; F290-L521 HydrophobicContact CE1-CD2 4.36Å; F290-L521 HydrophobicContact CZ-CD1 4.39Å; F290-L562 HydrophobicContact CZ-CD2 4.45Å; F290-S578 VanDerWaalsContact CZ-CB 3.44Å; F290-G615 VanDerWaalsContact CB-CA 3.46Å; F290-L618 HydrophobicContact CB-CD1 4.2Å; F290-L618 HydrophobicContact CD1-CD1 3.99Å; F290-L618 HydrophobicContact CD2-CB 4.34Å; F290-L618 HydrophobicContact CD2-CD1 4.04Å; F290-L618 HydrophobicContact CE1-CD1 4.39Å; F290-L618 HydrophobicContact CE2-CD1 4.42Å; F290-L618 HydrophobicContact CG-CD1 3.81Å; F290-R619 PolarHBondContact O-NE 2.9Å; F290-R619 VanDerWaalsContact O-NE 3.11Å; F290-R619 PolarHBondContact O-NH2 3.47Å
291	L	91.2	Very high	88.1	Confident	1 Å²	1	25 Å²	25	1%	0.005	14%	0.14	C	C	.	.	G	3₁₀ helix	trans	-108	-8.5	177.4	-63.9	178.7	0	0	0	113.3	Y288 H289 D293 R294 F295 I517 L521 V560 L562	Y288-L291 PolarHBondContact O-N 2.93Å; H289-L291 PolarHBondContact O-N 2.89Å; L291-D293 WeakPolarHBondContact CA-OD1 3.14Å; L291-D293 PolarHBondContact O-N 3.42Å; L291-R294 PolarHBondContact O-N 3.47Å; L291-F295 VanDerWaalsContact O-CD2 3.24Å; L291-F295 WeakPolarHBondContact O-CD2 3.45Å; L291-I517 HydrophobicContact CD1-CG2 3.88Å; L291-L521 HydrophobicContact CD1-CD1 3.58Å; L291-V560 HydrophobicContact CD2-CG1 4.22Å; L291-L562 HydrophobicContact CD1-CD2 3.66Å; L291-L562 HydrophobicContact CD1-CG 4.2Å; L291-L562 HydrophobicContact CD2-CG 4.4Å
292	Y	91.6	Very high	88.4	Confident	1 Å²	1	24.2 Å²	24.2	0%	0.004	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-22.5	-173.6	-73.2	-7.5	0	0	0	112.6	I223 F282 S283 G284 Y288 H289 R294 F295 I296 W323 L326	I223-Y292 HydrophobicContact CD1-CD1 3.97Å; I223-Y292 HydrophobicContact CD1-CE1 4.02Å; I223-Y292 HydrophobicContact CG1-CD1 4.3Å; I223-Y292 HydrophobicContact CG1-CE1 3.82Å; F282-Y292 HydrophobicContact CB-CE1 4.41Å; F282-Y292 HydrophobicContact CB-CE2 4.08Å; F282-Y292 AromaticContact CD1-CD1 3.62Å; F282-Y292 HydrophobicContact CD1-CD1 3.62Å; F282-Y292 AromaticContact CD1-CD2 3.94Å; F282-Y292 HydrophobicContact CD1-CD2 3.94Å; F282-Y292 AromaticContact CD1-CE1 3.73Å; F282-Y292 HydrophobicContact CD1-CE1 3.73Å; F282-Y292 HydrophobicContact CD1-CE2 4.07Å; F282-Y292 AromaticContact CD1-CG 3.7Å; F282-Y292 HydrophobicContact CD1-CG 3.7Å; F282-Y292 AromaticContact CD1-CZ 3.96Å; F282-Y292 HydrophobicContact CE1-CD1 4.11Å; F282-Y292 HydrophobicContact CE1-CG 4.15Å; S283-Y292 PolarHBondContact N-OH 3.05Å; S283-Y292 PolarHBondContact OG-OH 3.47Å; S283-Y292 VanDerWaalsContact OG-OH 3.13Å; G284-Y292 PolarHBondContact N-OH 2.87Å; G284-Y292 VanDerWaalsContact N-OH 3.08Å; Y288-Y292 VanDerWaalsContact CB-CE1 3.44Å; Y288-Y292 HydrophobicContact CG-CE1 4.48Å; Y288-Y292 VanDerWaalsContact O-CD1 3.26Å; Y288-Y292 WeakPolarHBondContact O-CD1 3.24Å; H289-Y292 AromaticContact CD2-CE2 3.68Å; H289-Y292 PolarHBondContact O-N 3.05Å; Y292-R294 PolarHBondContact O-N 2.91Å; Y292-F295 PolarHBondContact O-N 3.21Å; Y292-F295 VanDerWaalsContact O-N 3.14Å; Y292-I296 WeakPolarHBondContact O-CB 3.47Å; Y292-I296 WeakPolarHBondContact O-CD1 3.35Å; Y292-I296 VanDerWaalsContact O-CG1 3.23Å; Y292-I296 WeakPolarHBondContact O-CG1 3.03Å; Y292-I296 PolarHBondContact O-N 3.35Å; Y292-W323 HydrophobicContact CD2-CH2 4.46Å; Y292-W323 AromaticContact CD2-CZ3 4Å; Y292-W323 HydrophobicContact CD2-CZ3 4Å; Y292-W323 AromaticContact CE2-CH2 3.88Å; Y292-W323 HydrophobicContact CE2-CH2 3.88Å; Y292-W323 AromaticContact CE2-CZ3 3.82Å; Y292-W323 HydrophobicContact CE2-CZ3 3.82Å; Y292-L326 HydrophobicContact CD2-CD2 4.03Å
293	D	89	Confident	88.6	Confident	22 Å²	22	24.2 Å²	24.2	12%	0.118	14%	0.137	C	C	.	.	H	α-helix	trans	-51	-52.4	170.3	62.5	-57.2	0	0	0	112.2	L291 F295 I296 R619 V698	L291-D293 WeakPolarHBondContact CA-OD1 3.14Å; L291-D293 PolarHBondContact O-N 3.42Å; D293-F295 PolarHBondContact O-N 3.03Å; D293-I296 PolarHBondContact O-N 2.89Å; D293-R619 VanDerWaalsContact CG-NH2 3.31Å; D293-R619 IonicContact OD1-CZ 2.79Å; D293-R619 IonicContact OD1-NH2 2.68Å; D293-R619 PolarHBondContact OD1-NH2 3Å; D293-R619 IonicContact OD2-CZ 3.99Å; D293-R619 IonicContact OD2-NH2 3.15Å; D293-R619 PolarHBondContact OD2-NH2 2.83Å; D293-R619 VanDerWaalsContact OD2-NH2 3.11Å; D293-V698 HydrophobicContact CB-CG1 4.29Å; D293-V698 WeakPolarHBondContact CB-O 3.31Å
294	R	88.4	Confident	89.2	Confident	46 Å²	46	23.3 Å²	23.3	17%	0.174	13%	0.13	C	C	.	.	H	α-helix	trans	-65.1	-10.1	-177.4	-58.9	-69.6	162.8	140.2	-17.6	113.1	L291 Y292 R494 D496 A559	L291-R294 PolarHBondContact O-N 3.47Å; Y292-R294 PolarHBondContact O-N 2.91Å; R294-R494 PolarHBondContact NH1-O 2.81Å; R294-D496 IonicContact CZ-OD1 2.66Å; R294-D496 IonicContact NH1-OD1 2.82Å; R294-D496 PolarHBondContact NH1-OD1 3.07Å; R294-D496 IonicContact NH2-OD1 3.11Å; R294-D496 PolarHBondContact NH2-OD1 3.36Å; R294-D496 VanDerWaalsContact NH2-OD1 3.09Å; R294-A559 PolarHBondContact NH1-O 2.77Å
295	F	90.7	Very high	89.7	Confident	8 Å²	8	23.2 Å²	23.2	4%	0.035	13%	0.129	C	C	.	.	H	α-helix	trans	-120.3	-16.2	179.9	-54.5	-72.2	0	0	0	114.6	K158 I223 W280 F282 L291 Y292 D293 V491 L512 I517	K158-F295 PolarHBondContact NZ-O 3.38Å; I223-F295 HydrophobicContact CD1-CB 3.89Å; I223-F295 HydrophobicContact CD1-CD2 3.34Å; I223-F295 HydrophobicContact CD1-CE2 3.99Å; I223-F295 HydrophobicContact CD1-CG 3.65Å; W280-F295 HydrophobicContact CZ3-CB 4.39Å; W280-F295 AromaticContact CZ3-CD1 3.89Å; W280-F295 HydrophobicContact CZ3-CD1 3.89Å; W280-F295 HydrophobicContact CZ3-CG 4.5Å; F282-F295 HydrophobicContact CE1-CB 3.99Å; F282-F295 HydrophobicContact CZ-CB 4.06Å; L291-F295 VanDerWaalsContact O-CD2 3.24Å; L291-F295 WeakPolarHBondContact O-CD2 3.45Å; Y292-F295 PolarHBondContact O-N 3.21Å; Y292-F295 VanDerWaalsContact O-N 3.14Å; D293-F295 PolarHBondContact O-N 3.03Å; F295-V491 HydrophobicContact CD1-CG1 4.44Å; F295-V491 HydrophobicContact CE1-CG1 4.25Å; F295-V491 HydrophobicContact CE1-CG2 4.47Å; F295-L512 HydrophobicContact CE1-CD2 4.31Å; F295-L512 HydrophobicContact CZ-CD2 4.25Å; F295-I517 HydrophobicContact CE2-CD1 3.9Å; F295-I517 HydrophobicContact CZ-CD1 3.59Å
296	I	89.4	Confident	90.3	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-71.2	-43.5	172.7	-74.3	163.1	0	0	0	110.7	K158 F160 F282 Y292 D293 L326 L327 C330 F331	K158-I296 PolarHBondContact NZ-O 2.85Å; F160-I296 HydrophobicContact CE1-CD1 4.17Å; F160-I296 HydrophobicContact CE1-CG1 3.85Å; F160-I296 HydrophobicContact CZ-CG1 3.99Å; F282-I296 HydrophobicContact CE1-CG1 4.27Å; F282-I296 HydrophobicContact CZ-CG1 4.39Å; Y292-I296 WeakPolarHBondContact O-CB 3.47Å; Y292-I296 WeakPolarHBondContact O-CD1 3.35Å; Y292-I296 VanDerWaalsContact O-CG1 3.23Å; Y292-I296 WeakPolarHBondContact O-CG1 3.03Å; Y292-I296 PolarHBondContact O-N 3.35Å; D293-I296 PolarHBondContact O-N 2.89Å; I296-L326 HydrophobicContact CD1-CD1 4.42Å; I296-L326 HydrophobicContact CD1-CD2 4.11Å; I296-L326 HydrophobicContact CD1-CG 3.93Å; I296-L327 HydrophobicContact CD1-CD2 4.33Å; I296-L327 HydrophobicContact CG1-CD2 4.37Å; I296-L327 HydrophobicContact CG2-CD2 3.92Å; I296-C330 HydrophobicContact CB-CB 4.14Å; I296-C330 HydrophobicContact CD1-CB 4.4Å; I296-C330 HydrophobicContact CG2-CB 3.7Å; I296-F331 HydrophobicContact CG2-CE1 4.29Å; I296-F331 HydrophobicContact CG2-CZ 4.14Å
297	G	76.8	Confident	90.8	Very high	36 Å²	36	15.8 Å²	15.8	37%	0.371	9%	0.09	S	C	.	.			trans	52.1	-139.3	167.8	0	0	0	0	0	115.2	F331	G297-F331 WeakPolarHBondContact O-CD1 3.28Å; G297-F331 WeakPolarHBondContact O-CE1 3.42Å
298	N	81.7	Confident	91.2	Very high	32 Å²	32	17.9 Å²	17.9	17%	0.171	9%	0.094	C	C	.	.			trans	-80.3	154.4	-173.1	74	49.1	0	0	0	114.4	N300 H486	N298-N300 VanDerWaalsContact C-N 3.25Å; N298-N300 PolarHBondContact O-N 3Å; N298-N300 PolarHBondContact OD1-N 3.21Å; N298-H486 PolarHBondContact ND2-CD2 2.86Å; N298-H486 PolarHBondContact ND2-NE2 3.36Å; N298-H486 PolarHBondContact OD1-CD2 3.32Å; N298-H486 PolarHBondContact OD1-NE2 2.96Å
299	P	87.6	Confident	91.4	Very high	33 Å²	33	17.8 Å²	17.8	21%	0.214	9%	0.094	C	C	.	.	S	Bend	trans	-76.8	-1.4	-174	31.6	-37.9	0	0	0	114.8	C301 F331 A347	P299-C301 PolarHBondContact O-N 2.86Å; P299-F331 HydrophobicContact CB-CD1 4.25Å; P299-F331 HydrophobicContact CB-CE1 3.85Å; P299-F331 HydrophobicContact CB-CZ 4.23Å; P299-A347 HydrophobicContact CB-CB 3.56Å
300	N	91.4	Very high	91.5	Very high	51 Å²	51	18.4 Å²	18.4	27%	0.273	10%	0.1	S	C	.	.	S	Bend	trans	-80.1	45.2	-173	-61.3	-19.9	0	0	0	112.6	N298 I424 L428 H486	N298-N300 VanDerWaalsContact C-N 3.25Å; N298-N300 PolarHBondContact O-N 3Å; N298-N300 PolarHBondContact OD1-N 3.21Å; N300-I424 HydrophobicContact CB-CG2 4.48Å; N300-L428 HydrophobicContact CB-CD1 4.41Å; N300-L428 HydrophobicContact CB-CD2 4.04Å; N300-L428 WeakPolarHBondContact ND2-CD2 2.84Å; N300-H486 WeakPolarHBondContact CB-NE2 3.49Å; N300-H486 PolarHBondContact ND2-NE2 2.88Å
301	C	93	Very high	91.6	Very high	3 Å²	3	19.1 Å²	19.1	2%	0.02	11%	0.105	C	C	.	.	S	Bend	trans	-152.9	167	179.7	61.1	0	0	0	0	111.2	K156 K158 P299 H303	K156-C301 HydrophobicContact CB-CB 3.7Å; K156-C301 VanDerWaalsContact O-CB 3.32Å; K156-C301 WeakPolarHBondContact O-CB 3.49Å; K158-C301 VanDerWaalsContact CE-SG 3.52Å; P299-C301 PolarHBondContact O-N 2.86Å; C301-H303 PolarHBondContact O-CE1 3.48Å; C301-H303 VanDerWaalsContact O-CE1 3.25Å; C301-H303 PolarHBondContact O-ND1 3.2Å; C301-H303 VanDerWaalsContact O-ND1 3.12Å; C301-H303 PolarHBondContact SG-CE1 2.96Å
302	I	95.6	Very high	91.6	Very high	0 Å²	0	23 Å²	23	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	129.7	179.8	-55.6	177.1	0	0	0	109.6	I155 K156 L157 K158 F277 L304 V348 I350 L417 H420 R421 I424	I155-I302 HydrophobicContact CD1-CD1 4.48Å; I155-I302 HydrophobicContact CD1-CG1 4.24Å; K156-I302 PolarHBondContact O-N 2.89Å; L157-I302 HydrophobicContact CD1-CB 3.84Å; L157-I302 HydrophobicContact CD1-CG2 3.89Å; K158-I302 PolarHBondContact N-O 3.5Å; F277-I302 HydrophobicContact CE1-CD1 3.88Å; F277-I302 HydrophobicContact CZ-CD1 4.02Å; I302-L304 HydrophobicContact CG2-CD2 4.13Å; I302-V348 HydrophobicContact CG2-CG1 4.38Å; I302-I350 HydrophobicContact CG2-CD1 3.98Å; I302-I350 HydrophobicContact CG2-CG1 4.33Å; I302-L417 HydrophobicContact CD1-CD2 4Å; I302-L417 HydrophobicContact CG2-CD2 3.97Å; I302-H420 HydrophobicContact CD1-CB 3.92Å; I302-H420 HydrophobicContact CG1-CB 4.36Å; I302-R421 HydrophobicContact CD1-CB 4.4Å; I302-I424 HydrophobicContact CG1-CD1 3.81Å
303	H	97.3	Very high	91.5	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	117.2	178.5	-51.5	74	0	0	0	108.9	F160 C301 L327 F331 V348 V349 I350	F160-H303 HydrophobicContact CD2-CB 4.4Å; F160-H303 HydrophobicContact CE2-CB 4.07Å; F160-H303 AromaticContact CE2-CD2 3.7Å; C301-H303 PolarHBondContact O-CE1 3.48Å; C301-H303 VanDerWaalsContact O-CE1 3.25Å; C301-H303 PolarHBondContact O-ND1 3.2Å; C301-H303 VanDerWaalsContact O-ND1 3.12Å; C301-H303 PolarHBondContact SG-CE1 2.96Å; H303-L327 HydrophobicContact CB-CD1 4.27Å; H303-F331 AromaticContact NE2-CZ 3.79Å; H303-V348 WeakPolarHBondContact CB-O 3.41Å; H303-V348 PolarHBondContact N-O 2.89Å; H303-V348 PolarHBondContact ND1-O 3.2Å; H303-V349 HydrophobicContact CB-CG2 4.3Å; H303-V349 CarbonylContact O-C 3.58Å; H303-V349 WeakPolarHBondContact O-CA 3.23Å; H303-I350 PolarHBondContact O-N 3.24Å
304	L	97.9	Very high	91.6	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	126.1	169.9	-54.6	-172.9	0	0	0	108.8	L157 K158 L159 F160 L170 I302 L306 I350 V352 L413 L417	L157-L304 HydrophobicContact CD1-CD1 4.05Å; L157-L304 HydrophobicContact CD1-CD2 4.3Å; L157-L304 HydrophobicContact CD1-CG 3.83Å; K158-L304 PolarHBondContact O-N 2.99Å; L159-L304 HydrophobicContact CD2-CD1 4.39Å; L159-L304 HydrophobicContact CG-CB 4.32Å; L159-L304 HydrophobicContact CG-CD1 4.15Å; F160-L304 PolarHBondContact N-O 2.67Å; L170-L304 HydrophobicContact CD2-CD1 4.46Å; I302-L304 HydrophobicContact CG2-CD2 4.13Å; L304-L306 HydrophobicContact CB-CD1 3.72Å; L304-I350 WeakPolarHBondContact CA-O 3.34Å; L304-I350 HydrophobicContact CD2-CB 3.73Å; L304-I350 HydrophobicContact CD2-CD1 4.02Å; L304-I350 HydrophobicContact CD2-CG1 4.2Å; L304-I350 HydrophobicContact CD2-CG2 4.43Å; L304-V352 HydrophobicContact CD2-CG2 4.45Å; L304-L413 HydrophobicContact CD2-CD1 4.29Å; L304-L417 HydrophobicContact CD2-CD2 4.2Å
305	V	98.3	Very high	91.7	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	112.2	174.2	177.9	0	0	0	0	108.4	F160 V320 W323 M324 L327 V349 I350 L351 V352	F160-V305 HydrophobicContact CB-CG2 4.43Å; V305-V320 HydrophobicContact CG1-CG1 4.33Å; V305-V320 HydrophobicContact CG1-CG2 4.49Å; V305-W323 HydrophobicContact CG1-CB 3.75Å; V305-W323 HydrophobicContact CG1-CG 4.19Å; V305-W323 HydrophobicContact CG2-CB 4.29Å; V305-M324 HydrophobicContact CG2-SD 4.38Å; V305-L327 HydrophobicContact CG2-CD1 4.22Å; V305-V349 HydrophobicContact CG2-CG1 3.97Å; V305-I350 PolarHBondContact N-O 3.35Å; V305-L351 HydrophobicContact CB-CD2 3.88Å; V305-L351 HydrophobicContact CG1-CD2 4.32Å; V305-V352 PolarHBondContact O-N 2.61Å
306	L	97.9	Very high	91.9	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	141	-175.2	-83.3	69	0	0	0	113.4	F160 G161 V165 K167 L170 L304 V352 T354	F160-L306 WeakPolarHBondContact O-CB 3.21Å; F160-L306 PolarHBondContact O-N 3.21Å; G161-L306 VanDerWaalsContact CA-O 3.24Å; G161-L306 WeakPolarHBondContact CA-O 3.38Å; V165-L306 HydrophobicContact CB-CB 4.45Å; V165-L306 HydrophobicContact CG2-CB 3.63Å; K167-L306 HydrophobicContact CB-CD2 4.31Å; K167-L306 HydrophobicContact CG-CB 4.43Å; K167-L306 HydrophobicContact CG-CD2 3.84Å; L170-L306 HydrophobicContact CB-CD2 4.46Å; L170-L306 HydrophobicContact CD2-CD1 4.22Å; L170-L306 HydrophobicContact CD2-CD2 3.78Å; L170-L306 HydrophobicContact CD2-CG 4.37Å; L304-L306 HydrophobicContact CB-CD1 3.72Å; L306-V352 WeakPolarHBondContact CA-O 3.39Å; L306-V352 HydrophobicContact CD1-CB 3.93Å; L306-V352 HydrophobicContact CD1-CG1 4.43Å; L306-V352 HydrophobicContact CD1-CG2 4.36Å; L306-V352 HydrophobicContact CG-CB 4Å; L306-V352 HydrophobicContact CG-CG1 4.21Å; L306-T354 HydrophobicContact CD2-CG2 3.7Å; L306-T354 HydrophobicContact CG-CG2 4.2Å
307	F	96	Very high	92.1	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	170.1	167.4	63	-85.5	0	0	0	109.8	K316 V320 V352 A353 T354 L379 I397	F307-K316 HydrophobicContact CD2-CB 4.05Å; F307-K316 HydrophobicContact CD2-CD 4.22Å; F307-K316 HydrophobicContact CD2-CG 3.8Å; F307-K316 HydrophobicContact CE2-CB 4.25Å; F307-K316 HydrophobicContact CE2-CD 3.97Å; F307-K316 HydrophobicContact CE2-CG 4.04Å; F307-V320 HydrophobicContact CB-CG2 4.48Å; F307-V320 HydrophobicContact CD1-CG2 3.44Å; F307-V320 VanDerWaalsContact CD1-CG2 3.44Å; F307-V320 HydrophobicContact CE1-CG2 3.84Å; F307-V320 HydrophobicContact CG-CG2 4.12Å; F307-V352 PolarHBondContact N-O 2.84Å; F307-A353 HydrophobicContact CD2-CB 4.13Å; F307-A353 HydrophobicContact CE1-CB 4.24Å; F307-A353 HydrophobicContact CE2-CB 3.59Å; F307-A353 HydrophobicContact CZ-CB 3.67Å; F307-A353 WeakPolarHBondContact O-CA 3.4Å; F307-T354 PolarHBondContact O-N 3.06Å; F307-T354 PolarHBondContact O-OG1 2.83Å; F307-L379 HydrophobicContact CE1-CD2 4.18Å; F307-L379 HydrophobicContact CE2-CD2 4.08Å; F307-L379 HydrophobicContact CZ-CD2 3.67Å; F307-I397 HydrophobicContact CE1-CD1 4.22Å; F307-I397 HydrophobicContact CE1-CG2 3.98Å; F307-I397 HydrophobicContact CZ-CD1 3.98Å; F307-I397 HydrophobicContact CZ-CG2 3.88Å
308	R	93.9	Very high	92.8	Very high	84 Å²	84	40.1 Å²	40.1	32%	0.317	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	137.8	175.9	-38.1	175.4	83.2	-172.2	5.5	109.7	V165 T310 D311 T354 H355	V165-R308 HydrophobicContact CB-CG 4.22Å; V165-R308 HydrophobicContact CG1-CG 4.12Å; R308-T310 VanDerWaalsContact CB-OG1 3.3Å; R308-T310 WeakPolarHBondContact CB-OG1 3.28Å; R308-T310 PolarHBondContact O-N 3.25Å; R308-D311 VanDerWaalsContact CB-OD2 3.3Å; R308-D311 WeakPolarHBondContact CB-OD2 3.47Å; R308-D311 WeakPolarHBondContact CD-OD1 3.12Å; R308-D311 WeakPolarHBondContact CG-OD2 3.42Å; R308-D311 PolarHBondContact N-OD2 2.96Å; R308-D311 VanDerWaalsContact N-OD2 3.14Å; R308-D311 PolarHBondContact O-N 3.04Å; R308-T354 CarbonylContact C-O 3.49Å; R308-T354 WeakPolarHBondContact CA-O 3.39Å; R308-H355 PolarHBondContact NE-CE1 3.38Å; R308-H355 PolarHBondContact NE-ND1 3.04Å; R308-H355 PolarHBondContact NH2-CD2 3.47Å; R308-H355 VanDerWaalsContact NH2-CD2 3.27Å; R308-H355 PolarHBondContact NH2-NE2 3.36Å
309	A	92.4	Very high	93.3	Very high	2 Å²	2	38.8 Å²	38.8	2%	0.017	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-28	172.9	0	0	0	0	0	112.2	D311 K316 A353 T354 V356 A359 Y363	A309-D311 VanDerWaalsContact C-N 3.32Å; A309-D311 PolarHBondContact O-N 3.18Å; A309-K316 WeakPolarHBondContact O-CE 3.45Å; A309-K316 PolarHBondContact O-NZ 3.47Å; A309-A353 HydrophobicContact CB-CB 4.31Å; A309-T354 WeakPolarHBondContact CB-O 3.5Å; A309-T354 PolarHBondContact N-O 3.05Å; A309-V356 HydrophobicContact CB-CB 4.34Å; A309-V356 HydrophobicContact CB-CG1 3.68Å; A309-A359 HydrophobicContact CB-CB 3.51Å; A309-Y363 HydrophobicContact CB-CD2 4.27Å; A309-Y363 HydrophobicContact CB-CE1 4.04Å; A309-Y363 HydrophobicContact CB-CE2 3.75Å; A309-Y363 WeakPolarHBondContact O-CE2 3.37Å
310	T	91.4	Very high	93.7	Very high	53 Å²	53	37.2 Å²	37.2	33%	0.325	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-19.5	174.9	56.4	0	0	0	0	114.9	R308 H355 M358 A359	R308-T310 VanDerWaalsContact CB-OG1 3.3Å; R308-T310 WeakPolarHBondContact CB-OG1 3.28Å; R308-T310 PolarHBondContact O-N 3.25Å; T310-H355 HydrophobicContact CG2-CB 4.16Å; T310-M358 HydrophobicContact CG2-CB 3.62Å; T310-A359 HydrophobicContact CG2-CB 4.28Å
311	D	91.7	Very high	93.9	Very high	30 Å²	30	35.4 Å²	35.4	16%	0.16	18%	0.182	C	C	.	.	S	Bend	trans	-71.9	146.3	-174.2	-60.2	-27.9	0	0	0	110.5	R308 A309 V315 K316	R308-D311 VanDerWaalsContact CB-OD2 3.3Å; R308-D311 WeakPolarHBondContact CB-OD2 3.47Å; R308-D311 WeakPolarHBondContact CD-OD1 3.12Å; R308-D311 WeakPolarHBondContact CG-OD2 3.42Å; R308-D311 PolarHBondContact N-OD2 2.96Å; R308-D311 VanDerWaalsContact N-OD2 3.14Å; R308-D311 PolarHBondContact O-N 3.04Å; A309-D311 VanDerWaalsContact C-N 3.32Å; A309-D311 PolarHBondContact O-N 3.18Å; D311-V315 HydrophobicContact CB-CB 4.3Å; D311-V315 HydrophobicContact CB-CG1 4.13Å; D311-K316 HydrophobicContact CB-CG 3.95Å; D311-K316 WeakPolarHBondContact O-CD 3.42Å; D311-K316 WeakPolarHBondContact O-CE 3.17Å; D311-K316 WeakPolarHBondContact O-CG 3.35Å; D311-K316 PolarHBondContact O-NZ 2.7Å
312	P	90.7	Very high	93.9	Very high	82 Å²	82	36.6 Å²	36.6	53%	0.532	19%	0.187	S	C	.	.			trans	-58	149.9	174.3	-25.3	34.2	0	0	0	112.6	E314 V315 K316	P312-E314 VanDerWaalsContact C-N 3.28Å; P312-E314 PolarHBondContact O-N 3.12Å; P312-E314 VanDerWaalsContact O-N 3.14Å; P312-V315 HydrophobicContact CB-CG2 4.16Å; P312-V315 HydrophobicContact CG-CG2 4.22Å; P312-V315 CarbonylContact O-C 3.59Å; P312-V315 WeakPolarHBondContact O-CA 3.42Å; P312-V315 WeakPolarHBondContact O-CB 3.43Å; P312-V315 PolarHBondContact O-N 2.95Å; P312-K316 PolarHBondContact O-N 2.86Å
313	T	90.1	Very high	93.9	Very high	83 Å²	83	36.6 Å²	36.6	51%	0.509	19%	0.187	S	C	.	.	H	α-helix	trans	-50.8	-43.4	-174.5	-47	0	0	0	0	113.8	V315 K316 Y317 E375	T313-V315 PolarHBondContact O-N 3.38Å; T313-K316 PolarHBondContact O-N 2.72Å; T313-Y317 WeakPolarHBondContact O-CB 3.49Å; T313-Y317 PolarHBondContact O-N 2.84Å; T313-E375 WeakPolarHBondContact CA-OE1 3.42Å; T313-E375 WeakPolarHBondContact CB-OE1 3.5Å; T313-E375 HydrophobicContact CG2-CG 3.97Å; T313-E375 WeakPolarHBondContact CG2-OE1 3.42Å; T313-E375 PolarHBondContact OG1-OE1 3.5Å
314	E	90.3	Very high	93.8	Very high	146 Å²	146	36.6 Å²	36.6	68%	0.682	19%	0.187	S	C	*	.	H	α-helix	trans	-65.8	-37.1	176.8	-61.6	-170.5	162	0	0	112.3	P312 Y317 H318	P312-E314 VanDerWaalsContact C-N 3.28Å; P312-E314 PolarHBondContact O-N 3.12Å; P312-E314 VanDerWaalsContact O-N 3.14Å; E314-Y317 PolarHBondContact O-N 2.65Å; E314-H318 WeakPolarHBondContact O-CB 3.26Å; E314-H318 PolarHBondContact O-N 2.86Å; E314-H318 PolarHBondContact O-ND1 3.1Å
315	V	91.8	Very high	93.6	Very high	53 Å²	53	36.8 Å²	36.8	32%	0.321	19%	0.188	S	C	.	.	H	α-helix	trans	-70.1	-42.8	177.7	-179.4	0	0	0	0	110.5	A202 D311 P312 T313 Y317 S319	A202-V315 HydrophobicContact CB-CG2 4.19Å; D311-V315 HydrophobicContact CB-CB 4.3Å; D311-V315 HydrophobicContact CB-CG1 4.13Å; P312-V315 HydrophobicContact CB-CG2 4.16Å; P312-V315 HydrophobicContact CG-CG2 4.22Å; P312-V315 CarbonylContact O-C 3.59Å; P312-V315 WeakPolarHBondContact O-CA 3.42Å; P312-V315 WeakPolarHBondContact O-CB 3.43Å; P312-V315 PolarHBondContact O-N 2.95Å; T313-V315 PolarHBondContact O-N 3.38Å; V315-Y317 VanDerWaalsContact C-N 3.34Å; V315-Y317 PolarHBondContact O-N 2.9Å; V315-S319 WeakPolarHBondContact O-CB 3.29Å; V315-S319 PolarHBondContact O-N 2.97Å
316	K	93.8	Very high	93.3	Very high	8 Å²	8	37.2 Å²	37.2	4%	0.035	19%	0.19	C	C	.	.	H	α-helix	trans	-55	-49.8	171.2	-64.4	175.4	172	122.1	0	110.9	F307 A309 D311 P312 T313 S319 V320 Y363 E375 L379	F307-K316 HydrophobicContact CD2-CB 4.05Å; F307-K316 HydrophobicContact CD2-CD 4.22Å; F307-K316 HydrophobicContact CD2-CG 3.8Å; F307-K316 HydrophobicContact CE2-CB 4.25Å; F307-K316 HydrophobicContact CE2-CD 3.97Å; F307-K316 HydrophobicContact CE2-CG 4.04Å; A309-K316 WeakPolarHBondContact O-CE 3.45Å; A309-K316 PolarHBondContact O-NZ 3.47Å; D311-K316 HydrophobicContact CB-CG 3.95Å; D311-K316 WeakPolarHBondContact O-CD 3.42Å; D311-K316 WeakPolarHBondContact O-CE 3.17Å; D311-K316 WeakPolarHBondContact O-CG 3.35Å; D311-K316 PolarHBondContact O-NZ 2.7Å; P312-K316 PolarHBondContact O-N 2.86Å; T313-K316 PolarHBondContact O-N 2.72Å; K316-S319 PolarHBondContact O-N 3.02Å; K316-V320 WeakPolarHBondContact O-CG2 3.45Å; K316-V320 PolarHBondContact O-N 3.26Å; K316-Y363 VanDerWaalsContact CE-OH 3.31Å; K316-Y363 WeakPolarHBondContact CE-OH 3.35Å; K316-E375 WeakPolarHBondContact CD-OE1 3.15Å; K316-E375 VanDerWaalsContact NZ-CD 3.27Å; K316-E375 IonicContact NZ-OE1 3.61Å; K316-E375 PolarHBondContact NZ-OE1 2.86Å; K316-E375 IonicContact NZ-OE2 3.72Å; K316-E375 PolarHBondContact NZ-OE2 2.95Å; K316-L379 HydrophobicContact CB-CD2 4.14Å
317	Y	93.8	Very high	93.1	Very high	65 Å²	65	37.3 Å²	37.3	26%	0.255	19%	0.19	S	C	.	.	H	α-helix	trans	-64	-49.7	-179	176.4	-112.6	0	0	0	112.6	T313 E314 V315 S319 V320 L321 L379 T382 I383 R386	T313-Y317 WeakPolarHBondContact O-CB 3.49Å; T313-Y317 PolarHBondContact O-N 2.84Å; E314-Y317 PolarHBondContact O-N 2.65Å; V315-Y317 VanDerWaalsContact C-N 3.34Å; V315-Y317 PolarHBondContact O-N 2.9Å; Y317-S319 VanDerWaalsContact C-N 3.33Å; Y317-S319 PolarHBondContact O-N 3.35Å; Y317-V320 PolarHBondContact O-N 3.35Å; Y317-L321 HydrophobicContact CE1-CD2 4.19Å; Y317-L321 WeakPolarHBondContact O-CB 3.36Å; Y317-L321 PolarHBondContact O-N 2.59Å; Y317-L379 HydrophobicContact CD2-CD1 3.81Å; Y317-L379 HydrophobicContact CG-CD1 4.45Å; Y317-T382 HydrophobicContact CD2-CG2 4.49Å; Y317-T382 HydrophobicContact CE2-CG2 3.74Å; Y317-I383 HydrophobicContact CD2-CD1 4.08Å; Y317-I383 HydrophobicContact CE2-CD1 3.95Å; Y317-R386 PolarHBondContact OH-NH1 3.4Å
318	H	92	Very high	92.9	Very high	117 Å²	117	39.6 Å²	39.6	54%	0.542	20%	0.2	S	C	.	.	H	α-helix	trans	-64.2	-37.2	178.2	-74.1	93.7	0	0	0	112.3	E314 L321 F322	E314-H318 WeakPolarHBondContact O-CB 3.26Å; E314-H318 PolarHBondContact O-N 2.86Å; E314-H318 PolarHBondContact O-ND1 3.1Å; H318-L321 PolarHBondContact O-N 3.28Å; H318-F322 WeakPolarHBondContact O-CB 3.31Å; H318-F322 PolarHBondContact O-N 3.05Å
319	S	93.4	Very high	92.7	Very high	4 Å²	4	35.6 Å²	35.6	3%	0.028	19%	0.185	C	C	.	.	H	α-helix	trans	-59.8	-55.9	174	174	0	0	0	0	111.3	H162 V315 K316 Y317 L321 F322 W323	H162-S319 PolarHBondContact CD2-OG 2.92Å; V315-S319 WeakPolarHBondContact O-CB 3.29Å; V315-S319 PolarHBondContact O-N 2.97Å; K316-S319 PolarHBondContact O-N 3.02Å; Y317-S319 VanDerWaalsContact C-N 3.33Å; Y317-S319 PolarHBondContact O-N 3.35Å; S319-L321 VanDerWaalsContact C-N 3.33Å; S319-L321 PolarHBondContact O-N 3.21Å; S319-F322 WeakPolarHBondContact O-CB 3.41Å; S319-F322 PolarHBondContact O-N 3.46Å; S319-W323 PolarHBondContact O-N 2.91Å
320	V	96.1	Very high	92.5	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-61.9	-42.5	179.3	178.5	0	0	0	0	110.8	V305 F307 K316 Y317 F322 W323 M324 L351 I383	V305-V320 HydrophobicContact CG1-CG1 4.33Å; V305-V320 HydrophobicContact CG1-CG2 4.49Å; F307-V320 HydrophobicContact CB-CG2 4.48Å; F307-V320 HydrophobicContact CD1-CG2 3.44Å; F307-V320 VanDerWaalsContact CD1-CG2 3.44Å; F307-V320 HydrophobicContact CE1-CG2 3.84Å; F307-V320 HydrophobicContact CG-CG2 4.12Å; K316-V320 WeakPolarHBondContact O-CG2 3.45Å; K316-V320 PolarHBondContact O-N 3.26Å; Y317-V320 PolarHBondContact O-N 3.35Å; V320-F322 PolarHBondContact O-N 3.2Å; V320-W323 PolarHBondContact O-N 3.01Å; V320-M324 HydrophobicContact CG1-CG 3.9Å; V320-M324 WeakPolarHBondContact O-CB 3.24Å; V320-M324 WeakPolarHBondContact O-CG 3.18Å; V320-M324 PolarHBondContact O-N 3.25Å; V320-L351 HydrophobicContact CG1-CD1 4.18Å; V320-L351 HydrophobicContact CG1-CD2 3.83Å; V320-I383 HydrophobicContact CB-CD1 4.23Å; V320-I383 HydrophobicContact CG1-CD1 3.76Å; V320-I383 HydrophobicContact CG1-CG1 3.84Å; V320-I383 HydrophobicContact CG1-CG2 4.21Å
321	L	94.2	Very high	92.3	Very high	14 Å²	14	35.3 Å²	35.3	7%	0.073	18%	0.181	C	C	.	.	H	α-helix	trans	-58	-43.6	176.7	175.5	58.5	0	0	0	112.5	Y317 H318 S319 W323 M324 S325 R386 F387	Y317-L321 HydrophobicContact CE1-CD2 4.19Å; Y317-L321 WeakPolarHBondContact O-CB 3.36Å; Y317-L321 PolarHBondContact O-N 2.59Å; H318-L321 PolarHBondContact O-N 3.28Å; S319-L321 VanDerWaalsContact C-N 3.33Å; S319-L321 PolarHBondContact O-N 3.21Å; L321-W323 PolarHBondContact O-N 3.5Å; L321-M324 PolarHBondContact O-N 2.59Å; L321-S325 WeakPolarHBondContact O-CB 3.08Å; L321-S325 PolarHBondContact O-N 2.87Å; L321-S325 PolarHBondContact O-OG 2.9Å; L321-R386 VanDerWaalsContact CD1-CZ 3.44Å; L321-F387 HydrophobicContact CD1-CE2 3.78Å; L321-F387 HydrophobicContact CD1-CZ 3.81Å
322	F	93.4	Very high	91.6	Very high	28 Å²	28	36.7 Å²	36.7	12%	0.123	19%	0.193	C	C	.	.	H	α-helix	trans	-54.5	-50.6	177	172.7	-80.5	0	0	0	111.4	H289 H318 S319 V320 L326 H611	H289-F322 AromaticContact CE1-CE1 3.95Å; H289-F322 AromaticContact CE1-CZ 3.43Å; H289-F322 VanDerWaalsContact CE1-CZ 3.43Å; H289-F322 WeakPolarHBondContact CE1-CZ 3.2Å; H289-F322 AromaticContact CG-CZ 3.97Å; H289-F322 AromaticContact ND1-CE2 3.91Å; H289-F322 AromaticContact ND1-CZ 3.26Å; H289-F322 VanDerWaalsContact ND1-CZ 3.26Å; H289-F322 WeakPolarHBondContact ND1-CZ 3.44Å; H318-F322 WeakPolarHBondContact O-CB 3.31Å; H318-F322 PolarHBondContact O-N 3.05Å; S319-F322 WeakPolarHBondContact O-CB 3.41Å; S319-F322 PolarHBondContact O-N 3.46Å; V320-F322 PolarHBondContact O-N 3.2Å; F322-L326 HydrophobicContact CE1-CD2 4.35Å; F322-L326 WeakPolarHBondContact O-CB 3.31Å; F322-L326 PolarHBondContact O-N 2.84Å; F322-H611 HydrophobicContact CD2-CB 4.02Å; F322-H611 AromaticContact CD2-CD2 3.19Å; F322-H611 WeakPolarHBondContact CD2-CD2 3.47Å; F322-H611 AromaticContact CD2-CG 3.57Å; F322-H611 AromaticContact CD2-NE2 3.61Å; F322-H611 HydrophobicContact CE2-CB 4.01Å; F322-H611 AromaticContact CE2-CD2 3.19Å; F322-H611 WeakPolarHBondContact CE2-CD2 3.37Å; F322-H611 AromaticContact CE2-CG 3.79Å; F322-H611 AromaticContact CE2-NE2 3.96Å; F322-H611 PolarHBondContact O-NE2 2.96Å
323	W	95.4	Very high	90.6	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-71.3	-38.1	-177.6	-63	106.7	0	0	0	112.5	F160 G161 H162 H289 Y292 V305 S319 V320 L321 L326 L327	F160-W323 HydrophobicContact CB-CB 4.44Å; F160-W323 HydrophobicContact CB-CD2 3.96Å; F160-W323 HydrophobicContact CB-CE3 3.74Å; F160-W323 HydrophobicContact CB-CG 4.22Å; F160-W323 HydrophobicContact CB-CZ3 4.44Å; F160-W323 AromaticContact CD1-CE3 3.91Å; F160-W323 HydrophobicContact CD1-CE3 3.91Å; F160-W323 HydrophobicContact CD1-CZ3 4.16Å; F160-W323 HydrophobicContact CG-CE3 4.23Å; G161-W323 VanDerWaalsContact C-CE2 3.47Å; G161-W323 VanDerWaalsContact CA-CE2 3.49Å; G161-W323 VanDerWaalsContact CA-NE1 3.28Å; G161-W323 WeakPolarHBondContact O-CZ2 3.22Å; H162-W323 AromaticContact CE1-NE1 3.71Å; H162-W323 AromaticContact ND1-CZ2 3.72Å; H162-W323 AromaticContact ND1-NE1 3.85Å; H162-W323 AromaticContact NE2-NE1 3.8Å; H289-W323 AromaticContact NE2-CH2 3.85Å; Y292-W323 HydrophobicContact CD2-CH2 4.46Å; Y292-W323 AromaticContact CD2-CZ3 4Å; Y292-W323 HydrophobicContact CD2-CZ3 4Å; Y292-W323 AromaticContact CE2-CH2 3.88Å; Y292-W323 HydrophobicContact CE2-CH2 3.88Å; Y292-W323 AromaticContact CE2-CZ3 3.82Å; Y292-W323 HydrophobicContact CE2-CZ3 3.82Å; V305-W323 HydrophobicContact CG1-CB 3.75Å; V305-W323 HydrophobicContact CG1-CG 4.19Å; V305-W323 HydrophobicContact CG2-CB 4.29Å; S319-W323 PolarHBondContact O-N 2.91Å; V320-W323 PolarHBondContact O-N 3.01Å; L321-W323 PolarHBondContact O-N 3.5Å; W323-L326 HydrophobicContact CE3-CD2 3.92Å; W323-L326 HydrophobicContact CZ3-CD2 3.8Å; W323-L326 PolarHBondContact O-N 3.14Å; W323-L327 WeakPolarHBondContact O-CB 3.43Å; W323-L327 WeakPolarHBondContact O-CG 3.23Å; W323-L327 PolarHBondContact O-N 3.39Å
324	M	95.1	Very high	89.8	Confident	0 Å²	0	32.4 Å²	32.4	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-66.3	-39.6	176.5	-65.2	-65.1	-78.6	0	0	111.8	V305 V320 L321 K328 V349 L351 I383 F387 F391 I393	V305-M324 HydrophobicContact CG2-SD 4.38Å; V320-M324 HydrophobicContact CG1-CG 3.9Å; V320-M324 WeakPolarHBondContact O-CB 3.24Å; V320-M324 WeakPolarHBondContact O-CG 3.18Å; V320-M324 PolarHBondContact O-N 3.25Å; L321-M324 PolarHBondContact O-N 2.59Å; M324-K328 WeakPolarHBondContact O-CB 3.3Å; M324-K328 PolarHBondContact O-N 3.33Å; M324-V349 HydrophobicContact CE-CG1 4.36Å; M324-V349 HydrophobicContact SD-CG1 3.81Å; M324-L351 HydrophobicContact SD-CD2 4.45Å; M324-I383 HydrophobicContact CE-CG2 3.85Å; M324-I383 HydrophobicContact CG-CG2 4.19Å; M324-F387 HydrophobicContact CB-CD1 4.23Å; M324-F387 HydrophobicContact CB-CD2 3.83Å; M324-F387 HydrophobicContact CB-CE1 3.9Å; M324-F387 HydrophobicContact CB-CE2 3.46Å; M324-F387 VanDerWaalsContact CB-CE2 3.46Å; M324-F387 HydrophobicContact CB-CG 4.2Å; M324-F387 HydrophobicContact CB-CZ 3.5Å; M324-F387 VanDerWaalsContact CB-CZ 3.5Å; M324-F387 HydrophobicContact CE-CB 3.8Å; M324-F387 HydrophobicContact CE-CD2 4.16Å; M324-F387 HydrophobicContact CE-CG 4Å; M324-F387 HydrophobicContact CG-CD2 4.34Å; M324-F387 HydrophobicContact CG-CE2 4.29Å; M324-F391 HydrophobicContact CE-CD2 3.54Å; M324-F391 HydrophobicContact CE-CE2 4.22Å; M324-F391 HydrophobicContact CE-CG 4.41Å; M324-F391 HydrophobicContact SD-CD2 4.39Å; M324-I393 HydrophobicContact CE-CD1 3.62Å; M324-I393 HydrophobicContact CE-CG1 3.84Å
325	S	93.2	Very high	89.1	Confident	3 Å²	3	31.2 Å²	31.2	2%	0.021	16%	0.162	C	C	.	.	H	α-helix	trans	-67.5	-39.4	173.5	-74.7	0	0	0	0	113.1	L321 K328 S329 G608	L321-S325 WeakPolarHBondContact O-CB 3.08Å; L321-S325 PolarHBondContact O-N 2.87Å; L321-S325 PolarHBondContact O-OG 2.9Å; S325-K328 PolarHBondContact O-N 2.81Å; S325-S329 PolarHBondContact O-N 3.5Å; S325-G608 VanDerWaalsContact CB-O 3.24Å; S325-G608 WeakPolarHBondContact CB-O 3.5Å; S325-G608 PolarHBondContact OG-O 3.21Å
326	L	92.6	Very high	88.6	Confident	10 Å²	10	30.7 Å²	30.7	5%	0.052	16%	0.161	C	C	.	.	H	α-helix	trans	-64.5	-43.8	174.9	175.2	65.1	0	0	0	111.6	Y292 I296 F322 W323 K328 S329 C330 L612	Y292-L326 HydrophobicContact CD2-CD2 4.03Å; I296-L326 HydrophobicContact CD1-CD1 4.42Å; I296-L326 HydrophobicContact CD1-CD2 4.11Å; I296-L326 HydrophobicContact CD1-CG 3.93Å; F322-L326 HydrophobicContact CE1-CD2 4.35Å; F322-L326 WeakPolarHBondContact O-CB 3.31Å; F322-L326 PolarHBondContact O-N 2.84Å; W323-L326 HydrophobicContact CE3-CD2 3.92Å; W323-L326 HydrophobicContact CZ3-CD2 3.8Å; W323-L326 PolarHBondContact O-N 3.14Å; L326-K328 VanDerWaalsContact C-N 3.3Å; L326-K328 PolarHBondContact O-N 2.98Å; L326-S329 PolarHBondContact O-N 3.46Å; L326-S329 PolarHBondContact O-OG 2.91Å; L326-C330 PolarHBondContact O-N 3.46Å; L326-C330 PolarHBondContact O-SG 3.44Å; L326-C330 VanDerWaalsContact O-SG 3.33Å; L326-L612 HydrophobicContact CB-CD2 4.09Å; L326-L612 HydrophobicContact CD1-CD2 3.63Å; L326-L612 HydrophobicContact CG-CD2 4.46Å
327	L	93.6	Very high	88.3	Confident	1 Å²	1	31.2 Å²	31.2	1%	0.005	16%	0.164	C	C	.	.	H	α-helix	trans	-60.5	-43.1	172.8	-71.4	173.7	0	0	0	110.5	F160 I296 H303 V305 W323 S329 C330 F331 V349 F391	F160-L327 HydrophobicContact CE1-CD2 4.34Å; F160-L327 HydrophobicContact CE2-CD2 3.96Å; F160-L327 HydrophobicContact CZ-CD2 3.86Å; I296-L327 HydrophobicContact CD1-CD2 4.33Å; I296-L327 HydrophobicContact CG1-CD2 4.37Å; I296-L327 HydrophobicContact CG2-CD2 3.92Å; H303-L327 HydrophobicContact CB-CD1 4.27Å; V305-L327 HydrophobicContact CG2-CD1 4.22Å; W323-L327 WeakPolarHBondContact O-CB 3.43Å; W323-L327 WeakPolarHBondContact O-CG 3.23Å; W323-L327 PolarHBondContact O-N 3.39Å; L327-S329 VanDerWaalsContact C-N 3.33Å; L327-S329 PolarHBondContact O-N 3.47Å; L327-C330 PolarHBondContact O-N 3.02Å; L327-F331 HydrophobicContact CB-CE2 4.21Å; L327-F331 WeakPolarHBondContact O-CD2 3.39Å; L327-F331 WeakPolarHBondContact O-CE2 3.48Å; L327-V349 HydrophobicContact CD1-CG2 4.47Å; L327-F391 HydrophobicContact CB-CE1 4.4Å; L327-F391 HydrophobicContact CB-CE2 4.2Å; L327-F391 HydrophobicContact CB-CZ 3.69Å
328	K	91.3	Very high	88	Confident	48 Å²	48	28.5 Å²	28.5	21%	0.209	16%	0.155	C	C	.	.	H	α-helix	trans	-63.6	-36.4	179.6	-179.2	174.1	172.5	170.8	0	112.3	M324 S325 L326 F387 E390 F391 M609	M324-K328 WeakPolarHBondContact O-CB 3.3Å; M324-K328 PolarHBondContact O-N 3.33Å; S325-K328 PolarHBondContact O-N 2.81Å; L326-K328 VanDerWaalsContact C-N 3.3Å; L326-K328 PolarHBondContact O-N 2.98Å; K328-F387 HydrophobicContact CB-CE1 4.31Å; K328-F387 HydrophobicContact CD-CD1 4.4Å; K328-F387 HydrophobicContact CD-CE1 4.19Å; K328-E390 HydrophobicContact CD-CG 3.93Å; K328-E390 VanDerWaalsContact CE-OE1 3.29Å; K328-E390 WeakPolarHBondContact CE-OE1 3.49Å; K328-E390 HydrophobicContact CG-CG 4.26Å; K328-E390 IonicContact NZ-OE1 2.83Å; K328-E390 PolarHBondContact NZ-OE1 3.42Å; K328-F391 HydrophobicContact CB-CE2 4.23Å; K328-F391 HydrophobicContact CB-CZ 4.12Å; K328-M609 HydrophobicContact CB-CE 3.94Å; K328-M609 HydrophobicContact CD-CE 3.83Å; K328-M609 HydrophobicContact CG-CE 3.71Å
329	S	90.4	Very high	87.7	Confident	0 Å²	0	28 Å²	28	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-72.4	-31	-179.6	68	0	0	0	0	113.3	S325 L326 L327 L612 S699 G701	S325-S329 PolarHBondContact O-N 3.5Å; L326-S329 PolarHBondContact O-N 3.46Å; L326-S329 PolarHBondContact O-OG 2.91Å; L327-S329 VanDerWaalsContact C-N 3.33Å; L327-S329 PolarHBondContact O-N 3.47Å; S329-L612 WeakPolarHBondContact OG-CD1 3.36Å; S329-S699 CarbonylContact O-C 3.57Å; S329-S699 WeakPolarHBondContact O-CA 3.25Å; S329-G701 PolarHBondContact O-N 3.39Å
330	C	89.3	Confident	87.4	Confident	17 Å²	17	29.2 Å²	29.2	12%	0.115	16%	0.159	C	C	.	.	H	α-helix	trans	-80.4	-15.5	-176.7	-66.2	0	0	0	0	115.2	I296 L326 L327	I296-C330 HydrophobicContact CB-CB 4.14Å; I296-C330 HydrophobicContact CD1-CB 4.4Å; I296-C330 HydrophobicContact CG2-CB 3.7Å; L326-C330 PolarHBondContact O-N 3.46Å; L326-C330 PolarHBondContact O-SG 3.44Å; L326-C330 VanDerWaalsContact O-SG 3.33Å; L327-C330 PolarHBondContact O-N 3.02Å
331	F	86.1	Confident	87	Confident	32 Å²	32	29.3 Å²	29.3	14%	0.14	16%	0.16	C	C	.	.	S	Bend	trans	-93.1	132.2	176.9	-61.1	-58.8	0	0	0	111.4	I296 G297 P299 H303 L327 A347 F391 G701	I296-F331 HydrophobicContact CG2-CE1 4.29Å; I296-F331 HydrophobicContact CG2-CZ 4.14Å; G297-F331 WeakPolarHBondContact O-CD1 3.28Å; G297-F331 WeakPolarHBondContact O-CE1 3.42Å; P299-F331 HydrophobicContact CB-CD1 4.25Å; P299-F331 HydrophobicContact CB-CE1 3.85Å; P299-F331 HydrophobicContact CB-CZ 4.23Å; H303-F331 AromaticContact NE2-CZ 3.79Å; L327-F331 HydrophobicContact CB-CE2 4.21Å; L327-F331 WeakPolarHBondContact O-CD2 3.39Å; L327-F331 WeakPolarHBondContact O-CE2 3.48Å; F331-A347 HydrophobicContact CE2-CB 3.98Å; F331-A347 HydrophobicContact CZ-CB 3.99Å; F331-F391 AromaticContact CD2-CE1 3.69Å; F331-F391 HydrophobicContact CD2-CE1 3.69Å; F331-F391 HydrophobicContact CD2-CZ 4.14Å; F331-F391 AromaticContact CE2-CE1 3.57Å; F331-F391 HydrophobicContact CE2-CE1 3.57Å; F331-F391 HydrophobicContact CE2-CZ 4.12Å; F331-G701 PolarHBondContact O-N 3.46Å
332	S	76.7	Confident	86.6	Confident	59 Å²	59	29.8 Å²	29.8	41%	0.413	16%	0.164	S	C	.	.	P	Polyproline II helix	trans	-64.1	142	173.7	-52.2	0	0	0	0	111.4	E334	S332-E334 PolarHBondContact O-N 3.25Å
333	P	70.1	Confident	86.2	Confident	45 Å²	45	29.6 Å²	29.6	29%	0.292	17%	0.166	S	C	.	.	P	Polyproline II helix	trans	-65.2	131.2	172.8	27.5	-33.5	0	0	0	110.3	P700	P333-P700 WeakPolarHBondContact CD-O 3.43Å
334	E	73.7	Confident	85.4	Confident	31 Å²	31	34 Å²	34	15%	0.145	19%	0.187	C	C	.	.	P	Polyproline II helix	trans	-63.3	145.3	173.1	-70.1	173.8	135.9	0	0	111.3	S332 S336 C343 Q344 H345 R781	S332-E334 PolarHBondContact O-N 3.25Å; E334-S336 VanDerWaalsContact C-N 3.34Å; E334-C343 WeakPolarHBondContact OE2-CA 3.42Å; E334-C343 WeakPolarHBondContact OE2-CB 3.13Å; E334-Q344 PolarHBondContact OE1-N 2.92Å; E334-Q344 PolarHBondContact OE2-N 3.37Å; E334-H345 WeakPolarHBondContact OE1-CB 3.3Å; E334-H345 IonicContact OE1-CE1 3.68Å; E334-H345 IonicContact OE1-CG 2.7Å; E334-H345 PolarHBondContact OE1-N 3.31Å; E334-H345 IonicContact OE1-ND1 3.72Å; E334-H345 PolarHBondContact OE1-ND1 3.28Å; E334-R781 IonicContact OE2-NH1 3.3Å; E334-R781 PolarHBondContact OE2-NH1 3.12Å
335	N	75.7	Confident	84.8	Confident	120 Å²	120	39.5 Å²	39.5	64%	0.642	21%	0.212	S	C	*	.	S	Bend	trans	-73.2	-27.4	174.5	-68.2	-37.4	0	0	0	112.6
336	S	81.4	Confident	84.6	Confident	42 Å²	42	43.7 Å²	43.7	29%	0.294	23%	0.227	S	C	.	.	S	Bend	trans	-81.9	134.3	176	51.3	0	0	0	0	111.2	E334 Q344	E334-S336 VanDerWaalsContact C-N 3.34Å; S336-Q344 PolarHBondContact OG-OE1 2.84Å
337	I	86.5	Confident	84.6	Confident	20 Å²	20	43.3 Å²	43.3	10%	0.103	23%	0.225	C	C	.	.			trans	-108.8	92	180	-59.3	-176	0	0	0	107.8	N777 R780 R781 A784 S822 D825	I337-N777 HydrophobicContact CD1-CB 4.5Å; I337-R780 HydrophobicContact CD1-CB 3.56Å; I337-R780 HydrophobicContact CD1-CG 4.48Å; I337-R781 HydrophobicContact CB-CG 4.26Å; I337-R781 HydrophobicContact CD1-CG 4.31Å; I337-R781 HydrophobicContact CG1-CG 3.85Å; I337-R781 HydrophobicContact CG2-CG 3.87Å; I337-A784 HydrophobicContact CG2-CB 4.2Å; I337-S822 WeakPolarHBondContact O-CB 3.35Å; I337-S822 PolarHBondContact O-N 3.29Å; I337-S822 VanDerWaalsContact O-N 3.14Å; I337-D825 HydrophobicContact CB-CB 4.15Å; I337-D825 WeakPolarHBondContact CD1-OD1 3.37Å; I337-D825 HydrophobicContact CG2-CB 3.72Å
338	S	87.5	Confident	84.7	Confident	8 Å²	8	44 Å²	44	6%	0.056	23%	0.23	C	C	.	.	B	Isolated β-bridge	trans	-74.5	165	179.1	92	0	0	0	0	111.9	S340 G341 V342 E820	S338-S340 PolarHBondContact O-N 2.71Å; S338-G341 PolarHBondContact O-N 2.88Å; S338-V342 PolarHBondContact OG-O 3.29Å; S338-E820 CarbonylContact C-O 3.54Å; S338-E820 WeakPolarHBondContact CA-O 3.39Å; S338-E820 VanDerWaalsContact CB-O 3.26Å; S338-E820 WeakPolarHBondContact CB-O 3.33Å
339	K	86.8	Confident	85	Confident	105 Å²	105	41.7 Å²	41.7	46%	0.457	22%	0.22	S	C	.	.	G	3₁₀ helix	trans	-51.3	130.7	-179.8	-171.7	166.7	179.2	172.3	0	112.1	G341 V342 P819 E820 A821	K339-G341 PolarHBondContact O-N 3.25Å; K339-V342 WeakPolarHBondContact O-CG2 3.31Å; K339-P819 VanDerWaalsContact CD-O 3.22Å; K339-P819 WeakPolarHBondContact CD-O 3.29Å; K339-E820 PolarHBondContact N-O 3.4Å; K339-A821 WeakPolarHBondContact CB-O 3.16Å
340	S	86.7	Confident	85.4	Confident	30 Å²	30	41.7 Å²	41.7	21%	0.21	22%	0.22	C	C	.	.	G	3₁₀ helix	trans	58.4	25.7	-175.3	-50.7	0	0	0	0	114.3	S338 V342 S785 D788	S338-S340 PolarHBondContact O-N 2.71Å; S340-V342 VanDerWaalsContact C-N 3.25Å; S340-V342 PolarHBondContact O-N 2.68Å; S340-S785 VanDerWaalsContact O-CA 3.23Å; S340-S785 WeakPolarHBondContact O-CA 3.45Å; S340-S785 WeakPolarHBondContact O-CB 3.2Å; S340-D788 PolarHBondContact N-OD2 3.11Å
341	G	86.5	Confident	85.8	Confident	2 Å²	2	41 Å²	41	2%	0.021	22%	0.215	C	C	.	.	G	3₁₀ helix	trans	72.2	11.6	171.4	0	0	0	0	0	115.8	S338 K339 R781	S338-G341 PolarHBondContact O-N 2.88Å; K339-G341 PolarHBondContact O-N 3.25Å; G341-R781 VanDerWaalsContact CA-O 3.27Å; G341-R781 WeakPolarHBondContact CA-O 3.45Å; G341-R781 VanDerWaalsContact O-CZ 3.28Å; G341-R781 PolarHBondContact O-NE 3.33Å; G341-R781 PolarHBondContact O-NH2 2.63Å
342	V	87.4	Confident	86.3	Confident	25 Å²	25	39.4 Å²	39.4	15%	0.152	21%	0.208	C	C	.	.			trans	-69.7	150	-178.2	-171.9	0	0	0	0	110.3	S338 K339 S340 R346 N389 R781	S338-V342 PolarHBondContact OG-O 3.29Å; K339-V342 WeakPolarHBondContact O-CG2 3.31Å; S340-V342 VanDerWaalsContact C-N 3.25Å; S340-V342 PolarHBondContact O-N 2.68Å; V342-R346 HydrophobicContact CG1-CG 4.4Å; V342-R346 VanDerWaalsContact CG1-NE 3.32Å; V342-N389 CarbonylContact C-O 3.2Å; V342-R781 VanDerWaalsContact C-NH2 3.28Å
343	C	83.4	Confident	87.3	Confident	23 Å²	23	36.6 Å²	36.6	16%	0.155	19%	0.188	C	C	.	.			trans	-72.8	144.8	168.7	-57.8	0	0	0	0	109.5	E334 R346 N389 R781	E334-C343 WeakPolarHBondContact OE2-CA 3.42Å; E334-C343 WeakPolarHBondContact OE2-CB 3.13Å; C343-R346 HydrophobicContact CB-CB 4.48Å; C343-R346 HydrophobicContact CB-CG 3.59Å; C343-R346 WeakPolarHBondContact O-CG 3.33Å; C343-N389 PolarHBondContact N-O 3.25Å; C343-R781 VanDerWaalsContact SG-CZ 3.58Å; C343-R781 PolarHBondContact SG-NH1 3.37Å; C343-R781 PolarHBondContact SG-NH2 3.34Å
344	Q	79.8	Confident	88.4	Confident	94 Å²	94	34.5 Å²	34.5	44%	0.439	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-44	167.9	-65	179.6	-31.5	0	0	109.4	E334 S336 R346	E334-Q344 PolarHBondContact OE1-N 2.92Å; E334-Q344 PolarHBondContact OE2-N 3.37Å; S336-Q344 PolarHBondContact OG-OE1 2.84Å; Q344-R346 PolarHBondContact O-N 3.21Å
345	H	81.5	Confident	89.3	Confident	114 Å²	114	33.4 Å²	33.4	53%	0.528	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104	53.3	-177.7	-51.8	87.4	0	0	0	112.6	E334 A347	E334-H345 WeakPolarHBondContact OE1-CB 3.3Å; E334-H345 IonicContact OE1-CE1 3.68Å; E334-H345 IonicContact OE1-CG 2.7Å; E334-H345 PolarHBondContact OE1-N 3.31Å; E334-H345 IonicContact OE1-ND1 3.72Å; E334-H345 PolarHBondContact OE1-ND1 3.28Å; H345-A347 PolarHBondContact O-N 3.34Å
346	R	89.3	Confident	89.8	Confident	91 Å²	91	27.7 Å²	27.7	34%	0.343	14%	0.139	S	C	.	.	P	Polyproline II helix	trans	-55.5	127.7	175.5	-73.2	-175	-79.5	177	-2.4	111.9	V342 C343 Q344 C388 E390 F392	V342-R346 HydrophobicContact CG1-CG 4.4Å; V342-R346 VanDerWaalsContact CG1-NE 3.32Å; C343-R346 HydrophobicContact CB-CB 4.48Å; C343-R346 HydrophobicContact CB-CG 3.59Å; C343-R346 WeakPolarHBondContact O-CG 3.33Å; Q344-R346 PolarHBondContact O-N 3.21Å; R346-C388 VanDerWaalsContact CD-O 3.28Å; R346-C388 WeakPolarHBondContact CD-O 3.3Å; R346-C388 PolarHBondContact NH1-O 3.25Å; R346-E390 WeakPolarHBondContact CA-O 3.36Å; R346-E390 WeakPolarHBondContact CG-O 3.43Å; R346-F392 HydrophobicContact CB-CB 4.34Å
347	A	92.3	Very high	89.9	Confident	2 Å²	2	28 Å²	28	2%	0.017	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	144	174.9	0	0	0	0	0	111.1	P299 F331 H345 F391 F392	P299-A347 HydrophobicContact CB-CB 3.56Å; F331-A347 HydrophobicContact CE2-CB 3.98Å; F331-A347 HydrophobicContact CZ-CB 3.99Å; H345-A347 PolarHBondContact O-N 3.34Å; A347-F391 HydrophobicContact CB-CD1 3.84Å; A347-F391 HydrophobicContact CB-CE1 4.1Å; A347-F392 PolarHBondContact O-N 2.92Å
348	V	95.9	Very high	89.7	Confident	16 Å²	16	32.5 Å²	32.5	10%	0.097	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	122.1	177.4	177.5	0	0	0	0	110.2	I302 H303 F392 H420 I424	I302-V348 HydrophobicContact CG2-CG1 4.38Å; H303-V348 WeakPolarHBondContact CB-O 3.41Å; H303-V348 PolarHBondContact N-O 2.89Å; H303-V348 PolarHBondContact ND1-O 3.2Å; V348-F392 HydrophobicContact CG1-CD1 4.41Å; V348-F392 HydrophobicContact CG2-CD1 4.47Å; V348-H420 HydrophobicContact CG1-CB 4Å; V348-I424 HydrophobicContact CB-CD1 4.42Å; V348-I424 HydrophobicContact CG2-CD1 4.07Å; V348-I424 HydrophobicContact CG2-CG1 4.36Å
349	V	97.8	Very high	89.1	Confident	0 Å²	0	32.5 Å²	32.5	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	130.6	177.2	-175.2	0	0	0	0	110.5	H303 V305 M324 L327 L351 F391 F392 I393 H394	H303-V349 HydrophobicContact CB-CG2 4.3Å; H303-V349 CarbonylContact O-C 3.58Å; H303-V349 WeakPolarHBondContact O-CA 3.23Å; V305-V349 HydrophobicContact CG2-CG1 3.97Å; M324-V349 HydrophobicContact CE-CG1 4.36Å; M324-V349 HydrophobicContact SD-CG1 3.81Å; L327-V349 HydrophobicContact CD1-CG2 4.47Å; V349-L351 HydrophobicContact CG1-CD2 4.16Å; V349-F391 HydrophobicContact CG2-CB 3.92Å; V349-F391 HydrophobicContact CG2-CD1 4.12Å; V349-F391 HydrophobicContact CG2-CD2 4.36Å; V349-F391 HydrophobicContact CG2-CG 3.86Å; V349-F392 PolarHBondContact N-O 3.4Å; V349-I393 WeakPolarHBondContact O-CA 3.38Å; V349-H394 PolarHBondContact O-N 3.03Å
350	I	98.1	Very high	88.2	Confident	0 Å²	0	34.6 Å²	34.6	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	123.5	171.8	-48.9	177	0	0	0	107.9	I302 H303 L304 V305 V352 H394 I398 L413 L416 L417	I302-I350 HydrophobicContact CG2-CD1 3.98Å; I302-I350 HydrophobicContact CG2-CG1 4.33Å; H303-I350 PolarHBondContact O-N 3.24Å; L304-I350 WeakPolarHBondContact CA-O 3.34Å; L304-I350 HydrophobicContact CD2-CB 3.73Å; L304-I350 HydrophobicContact CD2-CD1 4.02Å; L304-I350 HydrophobicContact CD2-CG1 4.2Å; L304-I350 HydrophobicContact CD2-CG2 4.43Å; V305-I350 PolarHBondContact N-O 3.35Å; I350-V352 HydrophobicContact CG2-CG2 4.25Å; I350-H394 HydrophobicContact CG1-CB 4.25Å; I350-H394 HydrophobicContact CG2-CB 4.34Å; I350-I398 HydrophobicContact CG2-CG1 3.71Å; I350-L413 HydrophobicContact CG2-CD1 4.3Å; I350-L416 HydrophobicContact CD1-CB 4.24Å; I350-L417 HydrophobicContact CD1-CD2 4.46Å
351	L	98.3	Very high	87.1	Confident	1 Å²	1	39.4 Å²	39.4	1%	0.005	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	135.7	173.8	-55.9	-172.5	0	0	0	109.3	V305 V320 M324 V349 L380 I383 I397 I398	V305-L351 HydrophobicContact CB-CD2 3.88Å; V305-L351 HydrophobicContact CG1-CD2 4.32Å; V320-L351 HydrophobicContact CG1-CD1 4.18Å; V320-L351 HydrophobicContact CG1-CD2 3.83Å; M324-L351 HydrophobicContact SD-CD2 4.45Å; V349-L351 HydrophobicContact CG1-CD2 4.16Å; L351-L380 HydrophobicContact CD1-CD1 3.89Å; L351-I383 HydrophobicContact CD1-CB 4.47Å; L351-I383 HydrophobicContact CD1-CG2 4.19Å; L351-I397 HydrophobicContact CB-CB 4.39Å; L351-I397 HydrophobicContact CB-CD1 4.29Å; L351-I397 HydrophobicContact CB-CG1 4.03Å; L351-I397 HydrophobicContact CB-CG2 4.07Å; L351-I397 HydrophobicContact CD1-CD1 3.99Å; L351-I397 HydrophobicContact CD1-CG1 4.21Å; L351-I398 PolarHBondContact O-N 2.92Å
352	V	97.6	Very high	86.2	Confident	0 Å²	0	41.8 Å²	41.8	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	125.5	-176.3	-178.7	0	0	0	0	109.8	L170 L304 V305 L306 F307 I350 I398 V400 L413	L170-V352 HydrophobicContact CD2-CG1 4.05Å; L304-V352 HydrophobicContact CD2-CG2 4.45Å; V305-V352 PolarHBondContact O-N 2.61Å; L306-V352 WeakPolarHBondContact CA-O 3.39Å; L306-V352 HydrophobicContact CD1-CB 3.93Å; L306-V352 HydrophobicContact CD1-CG1 4.43Å; L306-V352 HydrophobicContact CD1-CG2 4.36Å; L306-V352 HydrophobicContact CG-CB 4Å; L306-V352 HydrophobicContact CG-CG1 4.21Å; F307-V352 PolarHBondContact N-O 2.84Å; I350-V352 HydrophobicContact CG2-CG2 4.25Å; V352-I398 WeakPolarHBondContact CA-O 3.45Å; V352-I398 WeakPolarHBondContact CG1-O 3.42Å; V352-I398 HydrophobicContact CG2-CB 4.43Å; V352-V400 HydrophobicContact CG1-CG1 4.24Å; V352-V400 HydrophobicContact CG1-CG2 3.51Å; V352-L413 HydrophobicContact CG2-CD1 4.24Å
353	A	95.9	Very high	85.9	Confident	0 Å²	0	41 Å²	41	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	124.5	172.9	0	0	0	0	0	110.1	F307 A309 I397 I398 L399 V400	F307-A353 HydrophobicContact CD2-CB 4.13Å; F307-A353 HydrophobicContact CE1-CB 4.24Å; F307-A353 HydrophobicContact CE2-CB 3.59Å; F307-A353 HydrophobicContact CZ-CB 3.67Å; F307-A353 WeakPolarHBondContact O-CA 3.4Å; A309-A353 HydrophobicContact CB-CB 4.31Å; A353-I397 HydrophobicContact CB-CG2 4.3Å; A353-I398 PolarHBondContact N-O 2.77Å; A353-L399 HydrophobicContact CB-CD2 3.49Å; A353-L399 VanDerWaalsContact CB-CD2 3.49Å; A353-V400 WeakPolarHBondContact O-CG2 3.14Å; A353-V400 PolarHBondContact O-N 2.9Å
354	T	94.6	Very high	85.7	Confident	0 Å²	0	43.6 Å²	43.6	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	171.7	178.1	66.4	0	0	0	0	111.3	V165 L306 F307 R308 A309 V356 V400 T402	V165-T354 WeakPolarHBondContact O-CG2 3.39Å; V165-T354 PolarHBondContact O-OG1 3Å; L306-T354 HydrophobicContact CD2-CG2 3.7Å; L306-T354 HydrophobicContact CG-CG2 4.2Å; F307-T354 PolarHBondContact O-N 3.06Å; F307-T354 PolarHBondContact O-OG1 2.83Å; R308-T354 CarbonylContact C-O 3.49Å; R308-T354 WeakPolarHBondContact CA-O 3.39Å; A309-T354 WeakPolarHBondContact CB-O 3.5Å; A309-T354 PolarHBondContact N-O 3.05Å; T354-V356 VanDerWaalsContact C-N 3.25Å; T354-V356 PolarHBondContact O-N 3.17Å; T354-V400 HydrophobicContact CG2-CG2 3.95Å; T354-T402 HydrophobicContact CG2-CG2 3.92Å
355	H	91	Very high	85.7	Confident	8 Å²	8	44.6 Å²	44.6	4%	0.037	24%	0.238	C	C	.	.			trans	61.5	30.2	179.4	-52.1	81.7	0	0	0	113.6	R308 T310 D357 M358	R308-H355 PolarHBondContact NE-CE1 3.38Å; R308-H355 PolarHBondContact NE-ND1 3.04Å; R308-H355 PolarHBondContact NH2-CD2 3.47Å; R308-H355 VanDerWaalsContact NH2-CD2 3.27Å; R308-H355 PolarHBondContact NH2-NE2 3.36Å; T310-H355 HydrophobicContact CG2-CB 4.16Å; H355-D357 VanDerWaalsContact C-OD1 3.27Å; H355-D357 VanDerWaalsContact CA-OD1 3.24Å; H355-D357 WeakPolarHBondContact CA-OD1 3.39Å; H355-D357 PolarHBondContact O-N 3.05Å; H355-M358 PolarHBondContact O-N 3.29Å; H355-M358 VanDerWaalsContact O-N 3.08Å
356	V	87.9	Confident	85.7	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	22%	0.221	C	C	.	.	G	3₁₀ helix	trans	-64.2	-29	177.1	-63.1	0	0	0	0	111.9	A309 T354 M358 A359 W371 L399 V400 D401	A309-V356 HydrophobicContact CB-CB 4.34Å; A309-V356 HydrophobicContact CB-CG1 3.68Å; T354-V356 VanDerWaalsContact C-N 3.25Å; T354-V356 PolarHBondContact O-N 3.17Å; V356-M358 PolarHBondContact O-N 2.98Å; V356-M358 VanDerWaalsContact O-N 3.12Å; V356-A359 PolarHBondContact O-N 3.09Å; V356-A359 VanDerWaalsContact O-N 3.15Å; V356-W371 HydrophobicContact CB-CD2 4.1Å; V356-W371 HydrophobicContact CB-CG 4.15Å; V356-W371 HydrophobicContact CG2-CD2 4.06Å; V356-W371 HydrophobicContact CG2-CG 3.9Å; V356-W371 HydrophobicContact CG2-CZ2 4.36Å; V356-L399 HydrophobicContact CG1-CB 4.04Å; V356-L399 HydrophobicContact CG1-CD2 4.46Å; V356-V400 VanDerWaalsContact CG2-C 3.45Å; V356-D401 HydrophobicContact CG2-CB 4.1Å
357	D	82.9	Confident	85.3	Confident	50 Å²	50	43.1 Å²	43.1	27%	0.267	25%	0.25	S	S	.	.	G	3₁₀ helix	trans	-57.2	-14.3	169.3	49	-66.6	0	0	0	114.5	H355	H355-D357 VanDerWaalsContact C-OD1 3.27Å; H355-D357 VanDerWaalsContact CA-OD1 3.24Å; H355-D357 WeakPolarHBondContact CA-OD1 3.39Å; H355-D357 PolarHBondContact O-N 3.05Å
358	M	82.7	Confident	84.7	Confident	113 Å²	113	47.9 Å²	47.9	56%	0.557	28%	0.276	S	S	*	.	G	3₁₀ helix	trans	-119.4	4.9	-179.9	-61.6	174.8	176.3	0	0	113	T310 H355 V356	T310-M358 HydrophobicContact CG2-CB 3.62Å; H355-M358 PolarHBondContact O-N 3.29Å; H355-M358 VanDerWaalsContact O-N 3.08Å; V356-M358 PolarHBondContact O-N 2.98Å; V356-M358 VanDerWaalsContact O-N 3.12Å
359	A	73.5	Confident	84	Confident	8 Å²	8	48 Å²	48	7%	0.066	28%	0.279	C	S	.	.			trans	-105.6	16.5	-163.9	0	0	0	0	0	115.2	A309 T310 V356 A362 Y363	A309-A359 HydrophobicContact CB-CB 3.51Å; T310-A359 HydrophobicContact CG2-CB 4.28Å; V356-A359 PolarHBondContact O-N 3.09Å; V356-A359 VanDerWaalsContact O-N 3.15Å; A359-A362 PolarHBondContact O-N 2.92Å; A359-Y363 HydrophobicContact CB-CD2 3.48Å; A359-Y363 VanDerWaalsContact CB-CD2 3.48Å; A359-Y363 HydrophobicContact CB-CE2 3.89Å; A359-Y363 HydrophobicContact CB-CG 4.18Å; A359-Y363 WeakPolarHBondContact O-CD2 3.19Å
360	E	68.1	Low	83.3	Confident	149 Å²	149	50.6 Å²	50.6	70%	0.696	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.8	146	177.5	-62.2	-168.7	170.3	0	0	111.7
361	P	63.7	Low	82.7	Confident	132 Å²	132	52 Å²	52	86%	0.857	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	cis	-97.1	9.5	3.7	38.8	-36.2	0	0	0	114.3	Y363	P361-Y363 PolarHBondContact O-N 3.29Å
362	A	68.4	Low	82.1	Confident	52 Å²	52	58 Å²	58	43%	0.43	32%	0.32	S	S	.	.	S	Bend	trans	-73.8	-4.9	-174.1	0	0	0	0	0	114.3	A359 S373	A359-A362 PolarHBondContact O-N 2.92Å; A362-S373 VanDerWaalsContact O-CB 3.29Å; A362-S373 WeakPolarHBondContact O-CB 3.33Å; A362-S373 PolarHBondContact O-OG 3.14Å
363	Y	80.1	Confident	81.6	Confident	8 Å²	8	58.5 Å²	58.5	3%	0.031	32%	0.323	C	S	.	.			trans	-130.7	140.8	-179.4	-67.9	-98.1	0	0	0	109.1	A309 K316 A359 P361 R372 S373 L399	A309-Y363 HydrophobicContact CB-CD2 4.27Å; A309-Y363 HydrophobicContact CB-CE1 4.04Å; A309-Y363 HydrophobicContact CB-CE2 3.75Å; A309-Y363 WeakPolarHBondContact O-CE2 3.37Å; K316-Y363 VanDerWaalsContact CE-OH 3.31Å; K316-Y363 WeakPolarHBondContact CE-OH 3.35Å; A359-Y363 HydrophobicContact CB-CD2 3.48Å; A359-Y363 VanDerWaalsContact CB-CD2 3.48Å; A359-Y363 HydrophobicContact CB-CE2 3.89Å; A359-Y363 HydrophobicContact CB-CG 4.18Å; A359-Y363 WeakPolarHBondContact O-CD2 3.19Å; P361-Y363 PolarHBondContact O-N 3.29Å; Y363-R372 WeakPolarHBondContact CA-O 3.16Å; Y363-S373 VanDerWaalsContact CD1-CB 3.42Å; Y363-S373 VanDerWaalsContact CE1-CB 3.46Å; Y363-L399 HydrophobicContact CD1-CD1 3.86Å; Y363-L399 HydrophobicContact CD1-CD2 4.34Å; Y363-L399 HydrophobicContact CE1-CD1 3.97Å; Y363-L399 HydrophobicContact CE1-CD2 3.76Å; Y363-L399 HydrophobicContact CE1-CG 4.5Å
364	S	80.1	Confident	81.2	Confident	77 Å²	77	63.1 Å²	63.1	54%	0.538	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	154.9	178.6	60.8	0	0	0	0	111.2	W371 R372	S364-W371 CarbonylContact O-C 3.59Å; S364-W371 WeakPolarHBondContact O-CA 3.45Å; S364-R372 PolarHBondContact N-O 3.47Å; S364-R372 PolarHBondContact O-N 3.27Å
365	Q	80.4	Confident	80.9	Confident	115 Å²	115	64.8 Å²	64.8	54%	0.537	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	141.3	174	-66.1	-177	18.4	0	0	111.1	E370 W371	Q365-E370 CarbonylContact C-O 3.6Å; Q365-E370 WeakPolarHBondContact CA-O 3.35Å; Q365-W371 HydrophobicContact CG-CD2 3.68Å; Q365-W371 HydrophobicContact CG-CE3 3.69Å; Q365-W371 HydrophobicContact CG-CG 4.32Å; Q365-W371 HydrophobicContact CG-CH2 4.12Å; Q365-W371 HydrophobicContact CG-CZ2 4.09Å; Q365-W371 HydrophobicContact CG-CZ3 3.91Å
366	T	82	Confident	80.9	Confident	27 Å²	27	64.7 Å²	64.7	17%	0.166	36%	0.364	C	S	.	.			trans	-72.9	167	163.7	59.6	0	0	0	0	111.2	D368 G369 E370 R372	T366-D368 WeakPolarHBondContact CB-OD1 3.44Å; T366-D368 PolarHBondContact O-N 2.93Å; T366-D368 VanDerWaalsContact O-N 3.1Å; T366-D368 PolarHBondContact OG1-OD1 2.76Å; T366-G369 PolarHBondContact O-N 3.29Å; T366-E370 HydrophobicContact CG2-CB 4.48Å; T366-E370 PolarHBondContact N-O 3Å; T366-E370 WeakPolarHBondContact OG1-CB 3.5Å; T366-E370 PolarHBondContact OG1-N 2.94Å; T366-E370 PolarHBondContact OG1-O 3.3Å; T366-R372 HydrophobicContact CG2-CG 4.1Å; T366-R372 VanDerWaalsContact CG2-NE 3.29Å
367	P	80	Confident	81.1	Confident	147 Å²	147	70.6 Å²	70.6	96%	0.955	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-20.3	177.9	-26.3	36.6	0	0	0	115.4
368	D	80.5	Confident	81.6	Confident	103 Å²	103	70.9 Å²	70.9	55%	0.551	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.6	0.8	174.3	61.9	-55.6	0	0	0	114	T366 P408	T366-D368 WeakPolarHBondContact CB-OD1 3.44Å; T366-D368 PolarHBondContact O-N 2.93Å; T366-D368 VanDerWaalsContact O-N 3.1Å; T366-D368 PolarHBondContact OG1-OD1 2.76Å; D368-P408 WeakPolarHBondContact O-CG 3.45Å
369	G	81.1	Confident	82.1	Confident	17 Å²	17	66.2 Å²	66.2	18%	0.175	38%	0.378	C	S	.	.			trans	86.8	12.6	174.4	0	0	0	0	0	115.5	T366 P408	T366-G369 PolarHBondContact O-N 3.29Å; G369-P408 WeakPolarHBondContact O-CG 3.4Å
370	E	83.4	Confident	83.2	Confident	55 Å²	55	66.5 Å²	66.5	26%	0.257	38%	0.378	S	S	.	.			trans	-74.2	125.6	169.7	-76.9	-162.7	147	0	0	110	Q365 T366 R372 P408 T412	Q365-E370 CarbonylContact C-O 3.6Å; Q365-E370 WeakPolarHBondContact CA-O 3.35Å; T366-E370 HydrophobicContact CG2-CB 4.48Å; T366-E370 PolarHBondContact N-O 3Å; T366-E370 WeakPolarHBondContact OG1-CB 3.5Å; T366-E370 PolarHBondContact OG1-N 2.94Å; T366-E370 PolarHBondContact OG1-O 3.3Å; E370-R372 IonicContact OE2-NH2 3.23Å; E370-P408 HydrophobicContact CB-CB 4.43Å; E370-P408 HydrophobicContact CG-CB 3.53Å; E370-P408 HydrophobicContact CG-CG 4.49Å; E370-T412 PolarHBondContact OE1-OG1 3.38Å
371	W	83.9	Confident	84.6	Confident	29 Å²	29	66.5 Å²	66.5	11%	0.11	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	141.6	170.9	-71.1	101	0	0	0	110.8	V356 S364 Q365 L399	V356-W371 HydrophobicContact CB-CD2 4.1Å; V356-W371 HydrophobicContact CB-CG 4.15Å; V356-W371 HydrophobicContact CG2-CD2 4.06Å; V356-W371 HydrophobicContact CG2-CG 3.9Å; V356-W371 HydrophobicContact CG2-CZ2 4.36Å; S364-W371 CarbonylContact O-C 3.59Å; S364-W371 WeakPolarHBondContact O-CA 3.45Å; Q365-W371 HydrophobicContact CG-CD2 3.68Å; Q365-W371 HydrophobicContact CG-CE3 3.69Å; Q365-W371 HydrophobicContact CG-CG 4.32Å; Q365-W371 HydrophobicContact CG-CH2 4.12Å; Q365-W371 HydrophobicContact CG-CZ2 4.09Å; Q365-W371 HydrophobicContact CG-CZ3 3.91Å; W371-L399 HydrophobicContact CB-CB 3.65Å; W371-L399 HydrophobicContact CB-CD1 4.09Å; W371-L399 WeakPolarHBondContact O-CD1 3.41Å
372	R	85.6	Confident	86.1	Confident	129 Å²	129	63.2 Å²	63.2	49%	0.487	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	153.9	175.1	-63.3	-168.4	-180	-158.3	-0.8	111	Y363 S364 T366 E370	Y363-R372 WeakPolarHBondContact CA-O 3.16Å; S364-R372 PolarHBondContact N-O 3.47Å; S364-R372 PolarHBondContact O-N 3.27Å; T366-R372 HydrophobicContact CG2-CG 4.1Å; T366-R372 VanDerWaalsContact CG2-NE 3.29Å; E370-R372 IonicContact OE2-NH2 3.23Å
373	S	88.2	Confident	87.3	Confident	9 Å²	9	60.8 Å²	60.8	6%	0.063	33%	0.333	C	S	.	.			trans	-159.5	129.3	172.2	177.9	0	0	0	0	110.8	A362 Y363 E375 A376 E377	A362-S373 VanDerWaalsContact O-CB 3.29Å; A362-S373 WeakPolarHBondContact O-CB 3.33Å; A362-S373 PolarHBondContact O-OG 3.14Å; Y363-S373 VanDerWaalsContact CD1-CB 3.42Å; Y363-S373 VanDerWaalsContact CE1-CB 3.46Å; S373-E375 PolarHBondContact O-N 2.91Å; S373-E375 WeakPolarHBondContact OG-CB 3.39Å; S373-E375 PolarHBondContact OG-N 2.99Å; S373-A376 WeakPolarHBondContact O-CB 3.45Å; S373-A376 PolarHBondContact O-N 2.85Å; S373-A376 VanDerWaalsContact O-N 3.17Å; S373-E377 PolarHBondContact O-N 3.31Å
374	S	86.9	Confident	88.1	Confident	97 Å²	97	62.9 Å²	62.9	68%	0.678	34%	0.343	S	S	*	.	H	α-helix	trans	-67	-23.6	174.3	50.9	0	0	0	0	112.7	E377 A378	S374-E377 PolarHBondContact O-N 2.85Å; S374-A378 WeakPolarHBondContact O-CB 3.39Å; S374-A378 PolarHBondContact O-N 2.94Å
375	E	88.9	Confident	88.6	Confident	36 Å²	36	65.8 Å²	65.8	17%	0.168	35%	0.351	C	S	.	.	H	α-helix	trans	-63.7	-44.4	170.8	-167.7	-161	169.8	0	0	110.4	T313 K316 S373 A378 L379	T313-E375 WeakPolarHBondContact CA-OE1 3.42Å; T313-E375 WeakPolarHBondContact CB-OE1 3.5Å; T313-E375 HydrophobicContact CG2-CG 3.97Å; T313-E375 WeakPolarHBondContact CG2-OE1 3.42Å; T313-E375 PolarHBondContact OG1-OE1 3.5Å; K316-E375 WeakPolarHBondContact CD-OE1 3.15Å; K316-E375 VanDerWaalsContact NZ-CD 3.27Å; K316-E375 IonicContact NZ-OE1 3.61Å; K316-E375 PolarHBondContact NZ-OE1 2.86Å; K316-E375 IonicContact NZ-OE2 3.72Å; K316-E375 PolarHBondContact NZ-OE2 2.95Å; S373-E375 PolarHBondContact O-N 2.91Å; S373-E375 WeakPolarHBondContact OG-CB 3.39Å; S373-E375 PolarHBondContact OG-N 2.99Å; E375-A378 PolarHBondContact O-N 3.07Å; E375-L379 WeakPolarHBondContact O-CB 3.43Å; E375-L379 PolarHBondContact O-N 3.46Å
376	A	89.9	Confident	89.1	Confident	6 Å²	6	64.7 Å²	64.7	5%	0.05	34%	0.342	C	S	.	.	H	α-helix	trans	-67.4	-36.3	177.6	0	0	0	0	0	112.2	S373 L380 I397 L399	S373-A376 WeakPolarHBondContact O-CB 3.45Å; S373-A376 PolarHBondContact O-N 2.85Å; S373-A376 VanDerWaalsContact O-N 3.17Å; A376-L380 WeakPolarHBondContact O-CB 3.47Å; A376-L380 PolarHBondContact O-N 3.02Å; A376-I397 HydrophobicContact CB-CB 4.41Å; A376-I397 HydrophobicContact CB-CD1 4.18Å; A376-I397 VanDerWaalsContact O-CD1 3.23Å; A376-I397 WeakPolarHBondContact O-CD1 3.35Å; A376-L399 HydrophobicContact CB-CD2 4.39Å
377	E	92	Very high	89.6	Confident	124 Å²	124	63.6 Å²	63.6	58%	0.579	34%	0.335	S	S	*	.	H	α-helix	trans	-66.2	-43	173.9	-68	172.5	-174	0	0	112.1	S373 S374 L380 K381	S373-E377 PolarHBondContact O-N 3.31Å; S374-E377 PolarHBondContact O-N 2.85Å; E377-L380 PolarHBondContact O-N 3.04Å; E377-K381 PolarHBondContact O-N 2.75Å
378	A	93.4	Very high	90.1	Very high	56 Å²	56	58.9 Å²	58.9	46%	0.463	31%	0.305	S	S	.	.	H	α-helix	trans	-65.4	-40.5	175.5	0	0	0	0	0	112.3	S374 E375 K381 T382	S374-A378 WeakPolarHBondContact O-CB 3.39Å; S374-A378 PolarHBondContact O-N 2.94Å; E375-A378 PolarHBondContact O-N 3.07Å; A378-K381 PolarHBondContact O-N 3.42Å; A378-T382 PolarHBondContact O-N 3.28Å; A378-T382 VanDerWaalsContact O-N 3.09Å; A378-T382 PolarHBondContact O-OG1 3.25Å
379	L	94.8	Very high	90.5	Very high	14 Å²	14	56 Å²	56	7%	0.073	29%	0.29	C	S	.	.	H	α-helix	trans	-59.3	-49.9	171.7	173.7	59	0	0	0	110.9	F307 K316 Y317 E375 K381 T382 I383 I397	F307-L379 HydrophobicContact CE1-CD2 4.18Å; F307-L379 HydrophobicContact CE2-CD2 4.08Å; F307-L379 HydrophobicContact CZ-CD2 3.67Å; K316-L379 HydrophobicContact CB-CD2 4.14Å; Y317-L379 HydrophobicContact CD2-CD1 3.81Å; Y317-L379 HydrophobicContact CG-CD1 4.45Å; E375-L379 WeakPolarHBondContact O-CB 3.43Å; E375-L379 PolarHBondContact O-N 3.46Å; L379-K381 PolarHBondContact O-N 3.02Å; L379-T382 PolarHBondContact O-N 3.38Å; L379-I383 HydrophobicContact CD1-CD1 4.43Å; L379-I383 HydrophobicContact CD1-CG1 3.9Å; L379-I383 HydrophobicContact CG-CG1 4.48Å; L379-I383 WeakPolarHBondContact O-CG1 3.27Å; L379-I383 PolarHBondContact O-N 3.35Å; L379-I397 HydrophobicContact CB-CD1 4.4Å; L379-I397 HydrophobicContact CD2-CD1 4.03Å; L379-I397 HydrophobicContact CG-CD1 4.15Å
380	L	96.7	Very high	90.8	Very high	15 Å²	15	56.6 Å²	56.6	8%	0.079	29%	0.288	C	S	.	.	H	α-helix	trans	-59.3	-44.4	178.8	-179.2	61.7	0	0	0	112.2	L351 A376 E377 T382 I383 K384 I393 D395 I397	L351-L380 HydrophobicContact CD1-CD1 3.89Å; A376-L380 WeakPolarHBondContact O-CB 3.47Å; A376-L380 PolarHBondContact O-N 3.02Å; E377-L380 PolarHBondContact O-N 3.04Å; L380-T382 VanDerWaalsContact C-N 3.3Å; L380-T382 PolarHBondContact O-N 2.92Å; L380-I383 PolarHBondContact O-N 3.46Å; L380-K384 HydrophobicContact CD1-CD 4.29Å; L380-K384 HydrophobicContact CD1-CG 4.16Å; L380-K384 HydrophobicContact CG-CD 4.26Å; L380-K384 HydrophobicContact CG-CG 4.47Å; L380-K384 WeakPolarHBondContact O-CB 3.28Å; L380-K384 WeakPolarHBondContact O-CG 3.44Å; L380-K384 PolarHBondContact O-N 2.89Å; L380-I393 HydrophobicContact CD1-CG2 3.83Å; L380-D395 WeakPolarHBondContact CD2-O 3.39Å; L380-I397 HydrophobicContact CB-CD1 4.09Å; L380-I397 HydrophobicContact CB-CG1 3.88Å; L380-I397 HydrophobicContact CD1-CG1 4.28Å; L380-I397 HydrophobicContact CD2-CG1 4.38Å; L380-I397 HydrophobicContact CG-CG1 4.41Å
381	K	96.2	Very high	91.3	Very high	148 Å²	148	54.1 Å²	54.1	64%	0.643	28%	0.277	S	S	*	.	H	α-helix	trans	-58.1	-44.5	176.5	-172.8	179.1	-178.9	-179.5	0	111.2	E377 A378 L379 K384 L385	E377-K381 PolarHBondContact O-N 2.75Å; A378-K381 PolarHBondContact O-N 3.42Å; L379-K381 PolarHBondContact O-N 3.02Å; K381-K384 PolarHBondContact O-N 3.14Å; K381-L385 HydrophobicContact CG-CD1 4.21Å; K381-L385 WeakPolarHBondContact O-CB 3.33Å; K381-L385 VanDerWaalsContact O-CG 3.28Å; K381-L385 WeakPolarHBondContact O-CG 3.36Å; K381-L385 PolarHBondContact O-N 3Å
382	T	94.6	Very high	91.8	Very high	64 Å²	64	56.3 Å²	56.3	39%	0.393	29%	0.287	S	S	.	.	H	α-helix	trans	-66.7	-43	179.6	-51.7	0	0	0	0	112.1	Y317 A378 L379 L380 R386	Y317-T382 HydrophobicContact CD2-CG2 4.49Å; Y317-T382 HydrophobicContact CE2-CG2 3.74Å; A378-T382 PolarHBondContact O-N 3.28Å; A378-T382 VanDerWaalsContact O-N 3.09Å; A378-T382 PolarHBondContact O-OG1 3.25Å; L379-T382 PolarHBondContact O-N 3.38Å; L380-T382 VanDerWaalsContact C-N 3.3Å; L380-T382 PolarHBondContact O-N 2.92Å; T382-R386 PolarHBondContact O-N 3.24Å
383	I	95.6	Very high	92.4	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-67.2	-41.9	176.8	-65.1	-63.7	0	0	0	111	Y317 V320 M324 L351 L379 L380 R386 F387 I393	Y317-I383 HydrophobicContact CD2-CD1 4.08Å; Y317-I383 HydrophobicContact CE2-CD1 3.95Å; V320-I383 HydrophobicContact CB-CD1 4.23Å; V320-I383 HydrophobicContact CG1-CD1 3.76Å; V320-I383 HydrophobicContact CG1-CG1 3.84Å; V320-I383 HydrophobicContact CG1-CG2 4.21Å; M324-I383 HydrophobicContact CE-CG2 3.85Å; M324-I383 HydrophobicContact CG-CG2 4.19Å; L351-I383 HydrophobicContact CD1-CB 4.47Å; L351-I383 HydrophobicContact CD1-CG2 4.19Å; L379-I383 HydrophobicContact CD1-CD1 4.43Å; L379-I383 HydrophobicContact CD1-CG1 3.9Å; L379-I383 HydrophobicContact CG-CG1 4.48Å; L379-I383 WeakPolarHBondContact O-CG1 3.27Å; L379-I383 PolarHBondContact O-N 3.35Å; L380-I383 PolarHBondContact O-N 3.46Å; I383-R386 PolarHBondContact O-N 3.22Å; I383-F387 HydrophobicContact CG2-CD2 4.21Å; I383-F387 WeakPolarHBondContact O-CB 3.46Å; I383-F387 PolarHBondContact O-N 3.3Å; I383-F387 VanDerWaalsContact O-N 3.13Å; I383-I393 HydrophobicContact CG2-CD1 4.32Å
384	K	95	Very high	92.7	Very high	53 Å²	53	51.3 Å²	51.3	23%	0.23	27%	0.268	C	S	.	.	H	α-helix	trans	-60.7	-47.3	174.8	-81.6	-174.3	164.6	-164.6	0	112.3	L380 K381 R386 F387 C388 I393 H394 D395	L380-K384 HydrophobicContact CD1-CD 4.29Å; L380-K384 HydrophobicContact CD1-CG 4.16Å; L380-K384 HydrophobicContact CG-CD 4.26Å; L380-K384 HydrophobicContact CG-CG 4.47Å; L380-K384 WeakPolarHBondContact O-CB 3.28Å; L380-K384 WeakPolarHBondContact O-CG 3.44Å; L380-K384 PolarHBondContact O-N 2.89Å; K381-K384 PolarHBondContact O-N 3.14Å; K384-R386 PolarHBondContact O-N 3.39Å; K384-R386 VanDerWaalsContact O-N 3.07Å; K384-F387 PolarHBondContact O-N 3.13Å; K384-C388 WeakPolarHBondContact O-CB 3.5Å; K384-C388 PolarHBondContact O-N 3.27Å; K384-C388 PolarHBondContact O-SG 2.83Å; K384-I393 WeakPolarHBondContact CE-O 3.48Å; K384-I393 HydrophobicContact CG-CB 4.1Å; K384-I393 HydrophobicContact CG-CD1 4.21Å; K384-I393 HydrophobicContact CG-CG2 3.99Å; K384-H394 WeakPolarHBondContact CE-O 3.4Å; K384-D395 IonicContact NZ-OD1 2.8Å; K384-D395 PolarHBondContact NZ-OD1 3.42Å
385	L	91.2	Very high	93.1	Very high	138 Å²	138	52 Å²	52	72%	0.723	26%	0.264	S	S	*	.	H	α-helix	trans	-57.4	-23.3	177.6	-76.3	167	0	0	0	113.8	K381	K381-L385 HydrophobicContact CG-CD1 4.21Å; K381-L385 WeakPolarHBondContact O-CB 3.33Å; K381-L385 VanDerWaalsContact O-CG 3.28Å; K381-L385 WeakPolarHBondContact O-CG 3.36Å; K381-L385 PolarHBondContact O-N 3Å
386	R	90.3	Very high	93.3	Very high	91 Å²	91	52.5 Å²	52.5	34%	0.343	27%	0.272	S	S	.	.	H	α-helix	trans	-97.5	-19.6	-179.3	-172.7	170.4	-176.2	161.6	2.9	114.7	Y317 L321 T382 I383 K384 R607	Y317-R386 PolarHBondContact OH-NH1 3.4Å; L321-R386 VanDerWaalsContact CD1-CZ 3.44Å; T382-R386 PolarHBondContact O-N 3.24Å; I383-R386 PolarHBondContact O-N 3.22Å; K384-R386 PolarHBondContact O-N 3.39Å; K384-R386 VanDerWaalsContact O-N 3.07Å; R386-R607 PolarHBondContact NH2-O 3.06Å
387	F	92.4	Very high	93.6	Very high	4 Å²	4	53 Å²	53	2%	0.018	27%	0.274	C	S	.	.	H	α-helix	trans	-140.3	5.2	-165.6	-69.3	-73.5	0	0	0	115.2	L321 M324 K328 I383 K384 N389 E390 F391 I393	L321-F387 HydrophobicContact CD1-CE2 3.78Å; L321-F387 HydrophobicContact CD1-CZ 3.81Å; M324-F387 HydrophobicContact CB-CD1 4.23Å; M324-F387 HydrophobicContact CB-CD2 3.83Å; M324-F387 HydrophobicContact CB-CE1 3.9Å; M324-F387 HydrophobicContact CB-CE2 3.46Å; M324-F387 VanDerWaalsContact CB-CE2 3.46Å; M324-F387 HydrophobicContact CB-CG 4.2Å; M324-F387 HydrophobicContact CB-CZ 3.5Å; M324-F387 VanDerWaalsContact CB-CZ 3.5Å; M324-F387 HydrophobicContact CE-CB 3.8Å; M324-F387 HydrophobicContact CE-CD2 4.16Å; M324-F387 HydrophobicContact CE-CG 4Å; M324-F387 HydrophobicContact CG-CD2 4.34Å; M324-F387 HydrophobicContact CG-CE2 4.29Å; K328-F387 HydrophobicContact CB-CE1 4.31Å; K328-F387 HydrophobicContact CD-CD1 4.4Å; K328-F387 HydrophobicContact CD-CE1 4.19Å; I383-F387 HydrophobicContact CG2-CD2 4.21Å; I383-F387 WeakPolarHBondContact O-CB 3.46Å; I383-F387 PolarHBondContact O-N 3.3Å; I383-F387 VanDerWaalsContact O-N 3.13Å; K384-F387 PolarHBondContact O-N 3.13Å; F387-N389 PolarHBondContact O-N 2.94Å; F387-E390 VanDerWaalsContact C-OE2 3.27Å; F387-E390 VanDerWaalsContact CA-OE2 3.26Å; F387-E390 WeakPolarHBondContact CA-OE2 3.23Å; F387-E390 PolarHBondContact O-N 3.41Å; F387-F391 HydrophobicContact CB-CD2 4.11Å; F387-F391 HydrophobicContact CD1-CD2 4.29Å; F387-F391 HydrophobicContact CD1-CE2 4.13Å; F387-F391 PolarHBondContact O-N 3.16Å; F387-I393 HydrophobicContact CB-CD1 3.77Å
388	C	90.9	Very high	93.7	Very high	49 Å²	49	47.4 Å²	47.4	33%	0.331	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-20.7	-178.9	60.1	0	0	0	0	114.1	R346 K384	R346-C388 VanDerWaalsContact CD-O 3.28Å; R346-C388 WeakPolarHBondContact CD-O 3.3Å; R346-C388 PolarHBondContact NH1-O 3.25Å; K384-C388 WeakPolarHBondContact O-CB 3.5Å; K384-C388 PolarHBondContact O-N 3.27Å; K384-C388 PolarHBondContact O-SG 2.83Å
389	N	88.5	Confident	93.7	Very high	41 Å²	41	45.3 Å²	45.3	22%	0.219	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-29.6	178	-67.9	-9.7	0	0	0	110.8	V342 C343 F387 S785	V342-N389 CarbonylContact C-O 3.2Å; C343-N389 PolarHBondContact N-O 3.25Å; F387-N389 PolarHBondContact O-N 2.94Å; N389-S785 WeakPolarHBondContact ND2-CB 3.4Å
390	E	88.7	Confident	93.6	Very high	30 Å²	30	44.6 Å²	44.6	14%	0.14	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.7	-33.8	-178	-58.8	86.7	162.3	0	0	112.7	K328 R346 F387	K328-E390 HydrophobicContact CD-CG 3.93Å; K328-E390 VanDerWaalsContact CE-OE1 3.29Å; K328-E390 WeakPolarHBondContact CE-OE1 3.49Å; K328-E390 HydrophobicContact CG-CG 4.26Å; K328-E390 IonicContact NZ-OE1 2.83Å; K328-E390 PolarHBondContact NZ-OE1 3.42Å; R346-E390 WeakPolarHBondContact CA-O 3.36Å; R346-E390 WeakPolarHBondContact CG-O 3.43Å; F387-E390 VanDerWaalsContact C-OE2 3.27Å; F387-E390 VanDerWaalsContact CA-OE2 3.26Å; F387-E390 WeakPolarHBondContact CA-OE2 3.23Å; F387-E390 PolarHBondContact O-N 3.41Å
391	F	93.7	Very high	93.2	Very high	4 Å²	4	45 Å²	45	2%	0.018	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	143.3	-170.7	-59.4	-45.9	0	0	0	114.1	M324 L327 K328 F331 A347 V349 F387 I393	M324-F391 HydrophobicContact CE-CD2 3.54Å; M324-F391 HydrophobicContact CE-CE2 4.22Å; M324-F391 HydrophobicContact CE-CG 4.41Å; M324-F391 HydrophobicContact SD-CD2 4.39Å; L327-F391 HydrophobicContact CB-CE1 4.4Å; L327-F391 HydrophobicContact CB-CE2 4.2Å; L327-F391 HydrophobicContact CB-CZ 3.69Å; K328-F391 HydrophobicContact CB-CE2 4.23Å; K328-F391 HydrophobicContact CB-CZ 4.12Å; F331-F391 AromaticContact CD2-CE1 3.69Å; F331-F391 HydrophobicContact CD2-CE1 3.69Å; F331-F391 HydrophobicContact CD2-CZ 4.14Å; F331-F391 AromaticContact CE2-CE1 3.57Å; F331-F391 HydrophobicContact CE2-CE1 3.57Å; F331-F391 HydrophobicContact CE2-CZ 4.12Å; A347-F391 HydrophobicContact CB-CD1 3.84Å; A347-F391 HydrophobicContact CB-CE1 4.1Å; V349-F391 HydrophobicContact CG2-CB 3.92Å; V349-F391 HydrophobicContact CG2-CD1 4.12Å; V349-F391 HydrophobicContact CG2-CD2 4.36Å; V349-F391 HydrophobicContact CG2-CG 3.86Å; F387-F391 HydrophobicContact CB-CD2 4.11Å; F387-F391 HydrophobicContact CD1-CD2 4.29Å; F387-F391 HydrophobicContact CD1-CE2 4.13Å; F387-F391 PolarHBondContact O-N 3.16Å; F391-I393 HydrophobicContact CB-CD1 4.31Å; F391-I393 HydrophobicContact CB-CG1 3.79Å; F391-I393 PolarHBondContact O-N 3.15Å
392	F	94.9	Very high	92.8	Very high	74 Å²	74	38 Å²	38	33%	0.325	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	93.5	162.8	-176.7	-85.5	0	0	0	106.8	R346 A347 V348 V349 H420	R346-F392 HydrophobicContact CB-CB 4.34Å; A347-F392 PolarHBondContact O-N 2.92Å; V348-F392 HydrophobicContact CG1-CD1 4.41Å; V348-F392 HydrophobicContact CG2-CD1 4.47Å; V349-F392 PolarHBondContact N-O 3.4Å; F392-H420 AromaticContact CE1-CE1 3.39Å; F392-H420 WeakPolarHBondContact CE1-CE1 3.41Å
393	I	96.7	Very high	92.4	Very high	9 Å²	9	38.8 Å²	38.8	5%	0.046	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	120.7	179.2	-57.8	160.7	0	0	0	107.6	M324 V349 L380 I383 K384 F387 F391	M324-I393 HydrophobicContact CE-CD1 3.62Å; M324-I393 HydrophobicContact CE-CG1 3.84Å; V349-I393 WeakPolarHBondContact O-CA 3.38Å; L380-I393 HydrophobicContact CD1-CG2 3.83Å; I383-I393 HydrophobicContact CG2-CD1 4.32Å; K384-I393 WeakPolarHBondContact CE-O 3.48Å; K384-I393 HydrophobicContact CG-CB 4.1Å; K384-I393 HydrophobicContact CG-CD1 4.21Å; K384-I393 HydrophobicContact CG-CG2 3.99Å; F387-I393 HydrophobicContact CB-CD1 3.77Å; F391-I393 HydrophobicContact CB-CD1 4.31Å; F391-I393 HydrophobicContact CB-CG1 3.79Å; F391-I393 PolarHBondContact O-N 3.15Å
394	H	96.5	Very high	92	Very high	24 Å²	24	42.9 Å²	42.9	11%	0.111	22%	0.217	C	C	.	.			trans	-55.1	153	-179.3	-174.9	65.7	0	0	0	112.8	V349 I350 K384 S396 L416 H420	V349-H394 PolarHBondContact O-N 3.03Å; I350-H394 HydrophobicContact CG1-CB 4.25Å; I350-H394 HydrophobicContact CG2-CB 4.34Å; K384-H394 WeakPolarHBondContact CE-O 3.4Å; H394-S396 PolarHBondContact CD2-N 2.92Å; H394-S396 PolarHBondContact CD2-O 3.08Å; H394-S396 PolarHBondContact CD2-OG 3.24Å; H394-S396 VanDerWaalsContact CD2-OG 3.32Å; H394-S396 PolarHBondContact NE2-OG 3.19Å; H394-S396 PolarHBondContact O-N 2.81Å; H394-L416 WeakPolarHBondContact CE1-CD2 3.47Å; H394-L416 WeakPolarHBondContact NE2-CD1 3.21Å; H394-H420 AromaticContact ND1-NE2 3.56Å
395	D	94.9	Very high	91.5	Very high	112 Å²	112	41.1 Å²	41.1	60%	0.599	21%	0.211	S	C	*	.	S	Bend	trans	-76.4	-1.9	-168.8	-63	-56.1	0	0	0	115.8	L380 K384	L380-D395 WeakPolarHBondContact CD2-O 3.39Å; K384-D395 IonicContact NZ-OD1 2.8Å; K384-D395 PolarHBondContact NZ-OD1 3.42Å
396	S	93	Very high	91.2	Very high	47 Å²	47	36.3 Å²	36.3	33%	0.329	19%	0.189	S	C	.	.	S	Bend	trans	-141.5	157.4	173.4	59.4	0	0	0	0	111.3	H394 I398	H394-S396 PolarHBondContact CD2-N 2.92Å; H394-S396 PolarHBondContact CD2-O 3.08Å; H394-S396 PolarHBondContact CD2-OG 3.24Å; H394-S396 VanDerWaalsContact CD2-OG 3.32Å; H394-S396 PolarHBondContact NE2-OG 3.19Å; H394-S396 PolarHBondContact O-N 2.81Å; S396-I398 WeakPolarHBondContact OG-CD1 3.48Å
397	I	95.3	Very high	91	Very high	16 Å²	16	32.6 Å²	32.6	8%	0.082	18%	0.177	C	C	.	.			trans	-87	126.8	162.7	-54.5	-162.8	0	0	0	107	F307 L351 A353 A376 L379 L380 L399	F307-I397 HydrophobicContact CE1-CD1 4.22Å; F307-I397 HydrophobicContact CE1-CG2 3.98Å; F307-I397 HydrophobicContact CZ-CD1 3.98Å; F307-I397 HydrophobicContact CZ-CG2 3.88Å; L351-I397 HydrophobicContact CB-CB 4.39Å; L351-I397 HydrophobicContact CB-CD1 4.29Å; L351-I397 HydrophobicContact CB-CG1 4.03Å; L351-I397 HydrophobicContact CB-CG2 4.07Å; L351-I397 HydrophobicContact CD1-CD1 3.99Å; L351-I397 HydrophobicContact CD1-CG1 4.21Å; A353-I397 HydrophobicContact CB-CG2 4.3Å; A376-I397 HydrophobicContact CB-CB 4.41Å; A376-I397 HydrophobicContact CB-CD1 4.18Å; A376-I397 VanDerWaalsContact O-CD1 3.23Å; A376-I397 WeakPolarHBondContact O-CD1 3.35Å; L379-I397 HydrophobicContact CB-CD1 4.4Å; L379-I397 HydrophobicContact CD2-CD1 4.03Å; L379-I397 HydrophobicContact CG-CD1 4.15Å; L380-I397 HydrophobicContact CB-CD1 4.09Å; L380-I397 HydrophobicContact CB-CG1 3.88Å; L380-I397 HydrophobicContact CD1-CG1 4.28Å; L380-I397 HydrophobicContact CD2-CG1 4.38Å; L380-I397 HydrophobicContact CG-CG1 4.41Å; I397-L399 HydrophobicContact CG2-CD2 4.11Å; I397-L399 PolarHBondContact O-N 2.88Å
398	I	94.9	Very high	90.8	Very high	6 Å²	6	33.3 Å²	33.3	3%	0.031	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	111.6	-176.7	-42.8	-56.9	0	0	0	109.1	I350 L351 V352 A353 S396 V400 G409 T412 L413 L416	I350-I398 HydrophobicContact CG2-CG1 3.71Å; L351-I398 PolarHBondContact O-N 2.92Å; V352-I398 WeakPolarHBondContact CA-O 3.45Å; V352-I398 WeakPolarHBondContact CG1-O 3.42Å; V352-I398 HydrophobicContact CG2-CB 4.43Å; A353-I398 PolarHBondContact N-O 2.77Å; S396-I398 WeakPolarHBondContact OG-CD1 3.48Å; I398-V400 HydrophobicContact CG2-CG1 3.92Å; I398-G409 WeakPolarHBondContact CG2-O 3.35Å; I398-T412 HydrophobicContact CD1-CG2 4.47Å; I398-L413 HydrophobicContact CG1-CD1 4.45Å; I398-L413 HydrophobicContact CG2-CB 4.02Å; I398-L416 HydrophobicContact CD1-CD1 3.38Å; I398-L416 HydrophobicContact CG1-CD1 3.91Å
399	L	93.5	Very high	90.8	Very high	12 Å²	12	31.3 Å²	31.3	6%	0.063	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	112.1	-175.5	-60.8	-177.2	0	0	0	108.9	A353 V356 Y363 W371 A376 I397	A353-L399 HydrophobicContact CB-CD2 3.49Å; A353-L399 VanDerWaalsContact CB-CD2 3.49Å; V356-L399 HydrophobicContact CG1-CB 4.04Å; V356-L399 HydrophobicContact CG1-CD2 4.46Å; Y363-L399 HydrophobicContact CD1-CD1 3.86Å; Y363-L399 HydrophobicContact CD1-CD2 4.34Å; Y363-L399 HydrophobicContact CE1-CD1 3.97Å; Y363-L399 HydrophobicContact CE1-CD2 3.76Å; Y363-L399 HydrophobicContact CE1-CG 4.5Å; W371-L399 HydrophobicContact CB-CB 3.65Å; W371-L399 HydrophobicContact CB-CD1 4.09Å; W371-L399 WeakPolarHBondContact O-CD1 3.41Å; A376-L399 HydrophobicContact CB-CD2 4.39Å; I397-L399 HydrophobicContact CG2-CD2 4.11Å; I397-L399 PolarHBondContact O-N 2.88Å
400	V	92.2	Very high	90.9	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	121	-168.3	-59.4	0	0	0	0	113.5	L170 V352 A353 T354 V356 I398 T402 I410	L170-V400 HydrophobicContact CD1-CG2 4.06Å; V352-V400 HydrophobicContact CG1-CG1 4.24Å; V352-V400 HydrophobicContact CG1-CG2 3.51Å; A353-V400 WeakPolarHBondContact O-CG2 3.14Å; A353-V400 PolarHBondContact O-N 2.9Å; T354-V400 HydrophobicContact CG2-CG2 3.95Å; V356-V400 VanDerWaalsContact CG2-C 3.45Å; I398-V400 HydrophobicContact CG2-CG1 3.92Å; V400-T402 HydrophobicContact CG2-CG2 4.14Å; V400-T402 PolarHBondContact O-N 2.9Å; V400-I410 HydrophobicContact CB-CD1 4.02Å; V400-I410 HydrophobicContact CB-CG1 4.47Å; V400-I410 HydrophobicContact CG1-CD1 4.16Å
401	D	89.2	Confident	91	Very high	23 Å²	23	34.5 Å²	34.5	12%	0.123	18%	0.178	C	C	.	.			trans	-72.9	117.9	157.4	176.7	-23.4	0	0	0	107.2	V356 L403 Q404	V356-D401 HydrophobicContact CG2-CB 4.1Å; D401-L403 VanDerWaalsContact OD1-CA 3.32Å; D401-L403 WeakPolarHBondContact OD1-CA 3.41Å; D401-L403 WeakPolarHBondContact OD1-CB 3.45Å; D401-L403 PolarHBondContact OD1-N 3.17Å; D401-Q404 HydrophobicContact CB-CB 4.34Å; D401-Q404 PolarHBondContact OD1-N 3.32Å; D401-Q404 WeakPolarHBondContact OD2-CG 3.42Å
402	T	87.2	Confident	90.9	Very high	2 Å²	2	36.5 Å²	36.5	1%	0.012	19%	0.19	C	C	.	.	S	Bend	trans	-88	-10.4	-179.4	65.7	0	0	0	0	113.5	L170 S173 T354 V400	L170-T402 HydrophobicContact CB-CG2 4.22Å; L170-T402 HydrophobicContact CD1-CG2 4.45Å; S173-T402 PolarHBondContact OG-O 3.18Å; T354-T402 HydrophobicContact CG2-CG2 3.92Å; V400-T402 HydrophobicContact CG2-CG2 4.14Å; V400-T402 PolarHBondContact O-N 2.9Å
403	L	86.7	Confident	90.8	Very high	79 Å²	79	33 Å²	33	41%	0.414	18%	0.175	S	C	.	.	S	Bend	trans	-86.2	-21.3	174.8	-55.8	178.9	0	0	0	111.8	D401 P405	D401-L403 VanDerWaalsContact OD1-CA 3.32Å; D401-L403 WeakPolarHBondContact OD1-CA 3.41Å; D401-L403 WeakPolarHBondContact OD1-CB 3.45Å; D401-L403 PolarHBondContact OD1-N 3.17Å; L403-P405 VanDerWaalsContact O-CD 3.28Å; L403-P405 WeakPolarHBondContact O-CD 3.24Å
404	Q	86.1	Confident	90.6	Very high	86 Å²	86	33.9 Å²	33.9	40%	0.402	18%	0.178	S	C	.	.			trans	-111	89.9	178.6	-61.2	-63.3	-22.2	0	0	113	D401 S406 S407	D401-Q404 HydrophobicContact CB-CB 4.34Å; D401-Q404 PolarHBondContact OD1-N 3.32Å; D401-Q404 WeakPolarHBondContact OD2-CG 3.42Å; Q404-S406 PolarHBondContact O-N 2.9Å; Q404-S406 VanDerWaalsContact O-N 3.09Å; Q404-S407 VanDerWaalsContact O-CB 3.22Å; Q404-S407 WeakPolarHBondContact O-CB 3.44Å; Q404-S407 PolarHBondContact O-N 3.05Å; Q404-S407 PolarHBondContact O-OG 3.38Å
405	P	84.5	Confident	90.3	Very high	16 Å²	16	36.4 Å²	36.4	10%	0.104	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-18.6	177.4	-24.4	33.1	0	0	0	116	T176 L403 I410	T176-P405 WeakPolarHBondContact OG1-CB 3.24Å; T176-P405 WeakPolarHBondContact OG1-CG 3.38Å; L403-P405 VanDerWaalsContact O-CD 3.28Å; L403-P405 WeakPolarHBondContact O-CD 3.24Å; P405-I410 VanDerWaalsContact O-CG2 3.29Å; P405-I410 WeakPolarHBondContact O-CG2 3.26Å
406	S	85	Confident	90.3	Very high	38 Å²	38	32.1 Å²	32.1	27%	0.266	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.2	-5.9	176.6	43.3	0	0	0	0	113.8	N181 Q404 R411	N181-S406 PolarHBondContact ND2-OG 3.42Å; Q404-S406 PolarHBondContact O-N 2.9Å; Q404-S406 VanDerWaalsContact O-N 3.09Å; S406-R411 PolarHBondContact O-NE 3.37Å
407	S	86.9	Confident	90.3	Very high	13 Å²	13	29.9 Å²	29.9	9%	0.091	16%	0.16	C	C	.	.	S	Bend	trans	-58.6	149.7	-176.9	63.2	0	0	0	0	112.4	Q404 G409 I410 R411	Q404-S407 VanDerWaalsContact O-CB 3.22Å; Q404-S407 WeakPolarHBondContact O-CB 3.44Å; Q404-S407 PolarHBondContact O-N 3.05Å; Q404-S407 PolarHBondContact O-OG 3.38Å; S407-G409 VanDerWaalsContact C-N 3.33Å; S407-G409 PolarHBondContact O-N 3.21Å; S407-I410 PolarHBondContact O-N 2.88Å; S407-I410 VanDerWaalsContact OG-CG1 3.25Å; S407-I410 WeakPolarHBondContact OG-CG1 3.42Å; S407-I410 PolarHBondContact OG-N 2.88Å; S407-R411 PolarHBondContact O-N 2.87Å; S407-R411 VanDerWaalsContact O-N 3.12Å
408	P	88.1	Confident	90.2	Very high	18 Å²	18	32.6 Å²	32.6	12%	0.117	17%	0.174	C	C	.	.	H	α-helix	trans	-52.6	-47.1	175.5	-30.3	39.1	0	0	0	112.9	D368 G369 E370 I410 R411 T412	D368-P408 WeakPolarHBondContact O-CG 3.45Å; G369-P408 WeakPolarHBondContact O-CG 3.4Å; E370-P408 HydrophobicContact CB-CB 4.43Å; E370-P408 HydrophobicContact CG-CB 3.53Å; E370-P408 HydrophobicContact CG-CG 4.49Å; P408-I410 VanDerWaalsContact C-N 3.34Å; P408-I410 PolarHBondContact O-N 3.18Å; P408-R411 CarbonylContact O-C 3.59Å; P408-R411 WeakPolarHBondContact O-CA 3.46Å; P408-R411 WeakPolarHBondContact O-CB 3.34Å; P408-R411 PolarHBondContact O-N 3.15Å; P408-T412 PolarHBondContact O-N 3.1Å; P408-T412 PolarHBondContact O-OG1 2.97Å
409	G	90.4	Very high	90.1	Very high	8 Å²	8	36.9 Å²	36.9	8%	0.082	19%	0.194	C	C	.	.	H	α-helix	trans	-57.1	-40.3	178.5	0	0	0	0	0	114.3	I398 S407 L413	I398-G409 WeakPolarHBondContact CG2-O 3.35Å; S407-G409 VanDerWaalsContact C-N 3.33Å; S407-G409 PolarHBondContact O-N 3.21Å; G409-L413 WeakPolarHBondContact O-CB 3.48Å; G409-L413 PolarHBondContact O-N 3.44Å
410	I	90.7	Very high	90.1	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-68.7	-36.6	174.9	-66	-69.8	0	0	0	111.4	L170 L174 V400 P405 S407 P408 K414	L170-I410 HydrophobicContact CD1-CD1 3.38Å; L174-I410 HydrophobicContact CD2-CG2 4.41Å; V400-I410 HydrophobicContact CB-CD1 4.02Å; V400-I410 HydrophobicContact CB-CG1 4.47Å; V400-I410 HydrophobicContact CG1-CD1 4.16Å; P405-I410 VanDerWaalsContact O-CG2 3.29Å; P405-I410 WeakPolarHBondContact O-CG2 3.26Å; S407-I410 PolarHBondContact O-N 2.88Å; S407-I410 VanDerWaalsContact OG-CG1 3.25Å; S407-I410 WeakPolarHBondContact OG-CG1 3.42Å; S407-I410 PolarHBondContact OG-N 2.88Å; P408-I410 VanDerWaalsContact C-N 3.34Å; P408-I410 PolarHBondContact O-N 3.18Å; I410-K414 WeakPolarHBondContact O-CG 3.41Å; I410-K414 PolarHBondContact O-N 3.32Å
411	R	90.2	Very high	90.1	Very high	138 Å²	138	38 Å²	38	52%	0.521	20%	0.198	S	C	.	.	H	α-helix	trans	-66.5	-45.2	174.6	-70.5	-175	-83.5	127	-10.2	111.8	S406 S407 P408 K414 S415	S406-R411 PolarHBondContact O-NE 3.37Å; S407-R411 PolarHBondContact O-N 2.87Å; S407-R411 VanDerWaalsContact O-N 3.12Å; P408-R411 CarbonylContact O-C 3.59Å; P408-R411 WeakPolarHBondContact O-CA 3.46Å; P408-R411 WeakPolarHBondContact O-CB 3.34Å; P408-R411 PolarHBondContact O-N 3.15Å; R411-K414 PolarHBondContact O-N 2.81Å; R411-S415 PolarHBondContact O-N 2.95Å
412	T	91.3	Very high	90.2	Very high	45 Å²	45	39.1 Å²	39.1	28%	0.276	21%	0.207	S	C	.	.	H	α-helix	trans	-62.5	-44.9	176.3	-61.3	0	0	0	0	110.7	E370 I398 P408 K414 S415 L416	E370-T412 PolarHBondContact OE1-OG1 3.38Å; I398-T412 HydrophobicContact CD1-CG2 4.47Å; P408-T412 PolarHBondContact O-N 3.1Å; P408-T412 PolarHBondContact O-OG1 2.97Å; T412-K414 PolarHBondContact O-N 3.17Å; T412-S415 WeakPolarHBondContact O-CB 3.48Å; T412-S415 PolarHBondContact O-N 3.46Å; T412-L416 HydrophobicContact CG2-CD1 4.29Å; T412-L416 WeakPolarHBondContact O-CG 3.35Å; T412-L416 PolarHBondContact O-N 2.75Å
413	L	93.6	Very high	90.5	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-59.2	-43.8	173.8	-174.8	59.6	0	0	0	112.5	L170 L174 L304 I350 V352 I398 G409 S415 L416 L417	L170-L413 HydrophobicContact CD1-CD2 3.96Å; L170-L413 HydrophobicContact CD2-CD2 4.05Å; L170-L413 HydrophobicContact CG-CD2 4.42Å; L174-L413 HydrophobicContact CD1-CD2 4.22Å; L174-L413 HydrophobicContact CD2-CD2 4.21Å; L174-L413 HydrophobicContact CD2-CG 4.46Å; L304-L413 HydrophobicContact CD2-CD1 4.29Å; I350-L413 HydrophobicContact CG2-CD1 4.3Å; V352-L413 HydrophobicContact CG2-CD1 4.24Å; I398-L413 HydrophobicContact CG1-CD1 4.45Å; I398-L413 HydrophobicContact CG2-CB 4.02Å; G409-L413 WeakPolarHBondContact O-CB 3.48Å; G409-L413 PolarHBondContact O-N 3.44Å; L413-S415 VanDerWaalsContact C-N 3.32Å; L413-S415 PolarHBondContact O-N 3.03Å; L413-L416 PolarHBondContact O-N 2.85Å; L413-L417 HydrophobicContact CD1-CG 4.34Å; L413-L417 HydrophobicContact CG-CD1 4.24Å; L413-L417 HydrophobicContact CG-CG 4.4Å; L413-L417 WeakPolarHBondContact O-CB 3.48Å; L413-L417 VanDerWaalsContact O-CG 3.27Å; L413-L417 WeakPolarHBondContact O-CG 3.47Å; L413-L417 PolarHBondContact O-N 2.91Å
414	K	92	Very high	90.7	Very high	28 Å²	28	38.6 Å²	38.6	12%	0.122	20%	0.204	C	C	.	.	H	α-helix	trans	-59.6	-41.6	175.7	-75.7	-178.6	-179.7	-169.4	0	112.1	L174 T176 I271 R272 C274 I410 R411 T412 L417 L418	L174-K414 HydrophobicContact CD2-CD 4.39Å; L174-K414 HydrophobicContact CD2-CG 3.62Å; L174-K414 WeakPolarHBondContact O-CE 3.37Å; L174-K414 PolarHBondContact O-NZ 3.11Å; T176-K414 PolarHBondContact O-NZ 3.41Å; I271-K414 HydrophobicContact CG2-CG 4.43Å; R272-K414 PolarHBondContact O-NZ 3.03Å; C274-K414 PolarHBondContact SG-O 3.24Å; I410-K414 WeakPolarHBondContact O-CG 3.41Å; I410-K414 PolarHBondContact O-N 3.32Å; R411-K414 PolarHBondContact O-N 2.81Å; T412-K414 PolarHBondContact O-N 3.17Å; K414-L417 PolarHBondContact O-N 3.28Å; K414-L418 PolarHBondContact O-N 3.4Å
415	S	91.4	Very high	91	Very high	78 Å²	78	35 Å²	35	55%	0.545	19%	0.188	S	C	.	.	H	α-helix	trans	-61.6	-46.5	175.6	-167.1	0	0	0	0	112.3	R411 T412 L413 L418 H419	R411-S415 PolarHBondContact O-N 2.95Å; T412-S415 WeakPolarHBondContact O-CB 3.48Å; T412-S415 PolarHBondContact O-N 3.46Å; L413-S415 VanDerWaalsContact C-N 3.32Å; L413-S415 PolarHBondContact O-N 3.03Å; S415-L418 WeakPolarHBondContact O-CB 3.28Å; S415-L418 PolarHBondContact O-N 2.95Å; S415-H419 WeakPolarHBondContact O-CB 3.22Å; S415-H419 PolarHBondContact O-N 2.74Å
416	L	93.5	Very high	91.2	Very high	22 Å²	22	41 Å²	41	12%	0.115	22%	0.215	C	C	.	.	H	α-helix	trans	-66.5	-39.2	179.1	-65.8	175.1	0	0	0	112.9	I350 H394 I398 T412 L413 L418 H419 H420	I350-L416 HydrophobicContact CD1-CB 4.24Å; H394-L416 WeakPolarHBondContact CE1-CD2 3.47Å; H394-L416 WeakPolarHBondContact NE2-CD1 3.21Å; I398-L416 HydrophobicContact CD1-CD1 3.38Å; I398-L416 HydrophobicContact CG1-CD1 3.91Å; T412-L416 HydrophobicContact CG2-CD1 4.29Å; T412-L416 WeakPolarHBondContact O-CG 3.35Å; T412-L416 PolarHBondContact O-N 2.75Å; L413-L416 PolarHBondContact O-N 2.85Å; L416-L418 VanDerWaalsContact C-N 3.32Å; L416-L418 PolarHBondContact O-N 2.88Å; L416-H419 PolarHBondContact O-N 2.92Å; L416-H420 WeakPolarHBondContact O-CB 3.46Å; L416-H420 PolarHBondContact O-CD2 3.3Å; L416-H420 VanDerWaalsContact O-CD2 3.28Å; L416-H420 PolarHBondContact O-N 3.1Å
417	L	94.1	Very high	91.3	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-59.7	-42.8	172.4	-72.8	177.5	0	0	0	111.4	L157 L174 I271 F277 I302 L304 I350 L413 K414 R421	L157-L417 HydrophobicContact CD1-CD2 3.53Å; L157-L417 HydrophobicContact CD2-CD1 4.15Å; L157-L417 HydrophobicContact CD2-CD2 4.2Å; L174-L417 HydrophobicContact CD1-CD1 4.27Å; L174-L417 HydrophobicContact CD2-CD1 4.33Å; I271-L417 HydrophobicContact CD1-CD1 4.49Å; F277-L417 HydrophobicContact CE2-CB 4.15Å; F277-L417 HydrophobicContact CZ-CB 4.05Å; F277-L417 HydrophobicContact CZ-CD2 4.5Å; I302-L417 HydrophobicContact CD1-CD2 4Å; I302-L417 HydrophobicContact CG2-CD2 3.97Å; L304-L417 HydrophobicContact CD2-CD2 4.2Å; I350-L417 HydrophobicContact CD1-CD2 4.46Å; L413-L417 HydrophobicContact CD1-CG 4.34Å; L413-L417 HydrophobicContact CG-CD1 4.24Å; L413-L417 HydrophobicContact CG-CG 4.4Å; L413-L417 WeakPolarHBondContact O-CB 3.48Å; L413-L417 VanDerWaalsContact O-CG 3.27Å; L413-L417 WeakPolarHBondContact O-CG 3.47Å; L413-L417 PolarHBondContact O-N 2.91Å; K414-L417 PolarHBondContact O-N 3.28Å; L417-R421 WeakPolarHBondContact O-CB 3.33Å; L417-R421 PolarHBondContact O-N 3.35Å; L417-R421 VanDerWaalsContact O-N 3.11Å
418	L	92.1	Very high	91.4	Very high	72 Å²	72	47.9 Å²	47.9	38%	0.377	23%	0.234	S	C	.	.	H	α-helix	trans	-65.3	-48.4	176.9	-174.9	66.8	0	0	0	111.6	A275 K414 S415 L416 R421 S422	A275-L418 HydrophobicContact CB-CD1 4.29Å; K414-L418 PolarHBondContact O-N 3.4Å; S415-L418 WeakPolarHBondContact O-CB 3.28Å; S415-L418 PolarHBondContact O-N 2.95Å; L416-L418 VanDerWaalsContact C-N 3.32Å; L416-L418 PolarHBondContact O-N 2.88Å; L418-R421 PolarHBondContact O-N 3.1Å; L418-S422 PolarHBondContact O-N 3.35Å; L418-S422 VanDerWaalsContact O-N 3.16Å; L418-S422 PolarHBondContact O-OG 3.18Å
419	H	93.8	Very high	91.3	Very high	96 Å²	96	50.2 Å²	50.2	44%	0.444	25%	0.249	S	C	.	.	H	α-helix	trans	-60.1	-53.6	-179.5	171.4	63.7	0	0	0	112.6	S415 L416 R421 S422 L423	S415-H419 WeakPolarHBondContact O-CB 3.22Å; S415-H419 PolarHBondContact O-N 2.74Å; L416-H419 PolarHBondContact O-N 2.92Å; H419-R421 VanDerWaalsContact C-N 3.29Å; H419-R421 PolarHBondContact O-N 3.32Å; H419-S422 PolarHBondContact O-N 3.09Å; H419-S422 VanDerWaalsContact O-N 3.17Å; H419-L423 WeakPolarHBondContact NE2-CD1 3.47Å; H419-L423 PolarHBondContact O-N 3.42Å
420	H	93.9	Very high	91	Very high	5 Å²	5	51.7 Å²	51.7	2%	0.023	26%	0.258	C	S	.	.	H	α-helix	trans	-69.2	-26.7	-179.5	-68.3	-51.8	0	0	0	112.7	I302 V348 F392 H394 L416 I424	I302-H420 HydrophobicContact CD1-CB 3.92Å; I302-H420 HydrophobicContact CG1-CB 4.36Å; V348-H420 HydrophobicContact CG1-CB 4Å; F392-H420 AromaticContact CE1-CE1 3.39Å; F392-H420 WeakPolarHBondContact CE1-CE1 3.41Å; H394-H420 AromaticContact ND1-NE2 3.56Å; L416-H420 WeakPolarHBondContact O-CB 3.46Å; L416-H420 PolarHBondContact O-CD2 3.3Å; L416-H420 VanDerWaalsContact O-CD2 3.28Å; L416-H420 PolarHBondContact O-N 3.1Å; H420-I424 VanDerWaalsContact O-CG1 3.29Å; H420-I424 WeakPolarHBondContact O-CG1 3.35Å; H420-I424 PolarHBondContact O-N 2.93Å; H420-I424 VanDerWaalsContact O-N 3.1Å
421	R	92.1	Very high	90.9	Very high	31 Å²	31	52.1 Å²	52.1	12%	0.117	26%	0.261	C	S	.	.	H	α-helix	trans	-63.5	-42.5	170.6	176.9	-177.4	165.7	-67.9	-1.9	111.5	R153 I155 E276 F277 I302 L417 L418 H419 I424 L425	R153-R421 PolarHBondContact O-NH2 2.83Å; I155-R421 HydrophobicContact CD1-CB 4.04Å; I155-R421 HydrophobicContact CD1-CG 3.87Å; I155-R421 HydrophobicContact CG1-CG 4.08Å; E276-R421 PolarHBondContact O-NE 2.75Å; F277-R421 HydrophobicContact CE1-CB 4.16Å; F277-R421 HydrophobicContact CE1-CG 4.3Å; F277-R421 HydrophobicContact CZ-CB 3.88Å; F277-R421 HydrophobicContact CZ-CG 4.25Å; I302-R421 HydrophobicContact CD1-CB 4.4Å; L417-R421 WeakPolarHBondContact O-CB 3.33Å; L417-R421 PolarHBondContact O-N 3.35Å; L417-R421 VanDerWaalsContact O-N 3.11Å; L418-R421 PolarHBondContact O-N 3.1Å; H419-R421 VanDerWaalsContact C-N 3.29Å; H419-R421 PolarHBondContact O-N 3.32Å; R421-I424 PolarHBondContact O-N 2.81Å; R421-L425 HydrophobicContact CG-CD1 3.92Å; R421-L425 HydrophobicContact CG-CG 4.38Å; R421-L425 VanDerWaalsContact NH1-CD1 3.33Å; R421-L425 WeakPolarHBondContact O-CB 3.39Å; R421-L425 VanDerWaalsContact O-CG 3.27Å; R421-L425 WeakPolarHBondContact O-CG 3.35Å; R421-L425 PolarHBondContact O-N 3.1Å
422	S	91.6	Very high	90.8	Very high	46 Å²	46	46.4 Å²	46.4	32%	0.322	24%	0.242	S	C	.	.	H	α-helix	trans	-61.1	-49.9	175.9	-60.3	0	0	0	0	111.6	L418 H419 I424 L425 E426	L418-S422 PolarHBondContact O-N 3.35Å; L418-S422 VanDerWaalsContact O-N 3.16Å; L418-S422 PolarHBondContact O-OG 3.18Å; H419-S422 PolarHBondContact O-N 3.09Å; H419-S422 VanDerWaalsContact O-N 3.17Å; S422-I424 VanDerWaalsContact C-N 3.25Å; S422-I424 PolarHBondContact O-N 3.47Å; S422-L425 PolarHBondContact O-N 2.96Å; S422-E426 WeakPolarHBondContact O-CG 3.28Å; S422-E426 PolarHBondContact O-N 3.42Å
423	L	92	Very high	90.8	Very high	56 Å²	56	45.4 Å²	45.4	29%	0.293	24%	0.24	S	C	.	.	H	α-helix	trans	-60.5	-29.4	179.3	-67	177.9	0	0	0	114.3	H419 R427	H419-L423 WeakPolarHBondContact NE2-CD1 3.47Å; H419-L423 PolarHBondContact O-N 3.42Å; L423-R427 WeakPolarHBondContact O-CD 3.24Å; L423-R427 WeakPolarHBondContact O-CG 3.5Å; L423-R427 PolarHBondContact O-NE 2.84Å
424	I	92.3	Very high	90.8	Very high	14 Å²	14	45.6 Å²	45.6	7%	0.072	24%	0.241	C	C	.	.	H	α-helix	trans	-76.4	-42.6	173.4	-70.4	167.1	0	0	0	110.4	I155 N300 I302 V348 H420 R421 S422 E426 R427 L428	I155-I424 HydrophobicContact CD1-CB 4.19Å; I155-I424 HydrophobicContact CD1-CD1 3.92Å; I155-I424 HydrophobicContact CD1-CG2 4.04Å; I155-I424 HydrophobicContact CG2-CG2 4.29Å; N300-I424 HydrophobicContact CB-CG2 4.48Å; I302-I424 HydrophobicContact CG1-CD1 3.81Å; V348-I424 HydrophobicContact CB-CD1 4.42Å; V348-I424 HydrophobicContact CG2-CD1 4.07Å; V348-I424 HydrophobicContact CG2-CG1 4.36Å; H420-I424 VanDerWaalsContact O-CG1 3.29Å; H420-I424 WeakPolarHBondContact O-CG1 3.35Å; H420-I424 PolarHBondContact O-N 2.93Å; H420-I424 VanDerWaalsContact O-N 3.1Å; R421-I424 PolarHBondContact O-N 2.81Å; S422-I424 VanDerWaalsContact C-N 3.25Å; S422-I424 PolarHBondContact O-N 3.47Å; I424-E426 PolarHBondContact O-N 3.36Å; I424-R427 PolarHBondContact O-N 2.91Å; I424-L428 HydrophobicContact CG2-CD1 3.82Å; I424-L428 WeakPolarHBondContact O-CG 3.29Å; I424-L428 PolarHBondContact O-N 2.89Å
425	L	90.8	Very high	90.9	Very high	10 Å²	10	44.6 Å²	44.6	5%	0.052	24%	0.237	C	C	.	.	H	α-helix	trans	-68.7	-31.1	-179.5	-74.9	179	0	0	0	113.9	P151 L152 I155 R421 S422 R427 L428	P151-L425 HydrophobicContact CB-CB 4.05Å; P151-L425 HydrophobicContact CB-CD2 4.42Å; L152-L425 HydrophobicContact CB-CD2 3.72Å; L152-L425 WeakPolarHBondContact O-CD1 3.41Å; L152-L425 WeakPolarHBondContact O-CD2 3.28Å; I155-L425 HydrophobicContact CG2-CD2 3.67Å; I155-L425 HydrophobicContact CG2-CG 4.25Å; R421-L425 HydrophobicContact CG-CD1 3.92Å; R421-L425 HydrophobicContact CG-CG 4.38Å; R421-L425 VanDerWaalsContact NH1-CD1 3.33Å; R421-L425 WeakPolarHBondContact O-CB 3.39Å; R421-L425 VanDerWaalsContact O-CG 3.27Å; R421-L425 WeakPolarHBondContact O-CG 3.35Å; R421-L425 PolarHBondContact O-N 3.1Å; S422-L425 PolarHBondContact O-N 2.96Å; L425-R427 PolarHBondContact O-N 3.21Å; L425-L428 HydrophobicContact CD2-CD1 4.37Å; L425-L428 PolarHBondContact O-N 3.34Å
426	E	89.4	Confident	90.8	Very high	144 Å²	144	44.1 Å²	44.1	67%	0.673	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-19.8	173.1	-73.8	158.1	-154.9	0	0	113.2	S422 I424	S422-E426 WeakPolarHBondContact O-CG 3.28Å; S422-E426 PolarHBondContact O-N 3.42Å; I424-E426 PolarHBondContact O-N 3.36Å
427	R	87.5	Confident	90.8	Very high	179 Å²	179	44.8 Å²	44.8	68%	0.675	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-101.4	-16.1	-179.3	-59.8	172.4	-169.7	-160.7	-2.1	113.6	L423 I424 L425	L423-R427 WeakPolarHBondContact O-CD 3.24Å; L423-R427 WeakPolarHBondContact O-CG 3.5Å; L423-R427 PolarHBondContact O-NE 2.84Å; I424-R427 PolarHBondContact O-N 2.91Å; L425-R427 PolarHBondContact O-N 3.21Å
428	L	89.3	Confident	90.8	Very high	16 Å²	16	44.8 Å²	44.8	8%	0.084	23%	0.232	C	C	.	.	S	Bend	trans	-87	143.4	-177.9	-75.4	169.5	0	0	0	110.6	L152 I155 N300 I424 L425	L152-L428 HydrophobicContact CD1-CB 4.18Å; L152-L428 HydrophobicContact CD1-CD1 3.93Å; I155-L428 HydrophobicContact CG2-CD1 4.23Å; N300-L428 HydrophobicContact CB-CD1 4.41Å; N300-L428 HydrophobicContact CB-CD2 4.04Å; N300-L428 WeakPolarHBondContact ND2-CD2 2.84Å; I424-L428 HydrophobicContact CG2-CD1 3.82Å; I424-L428 WeakPolarHBondContact O-CG 3.29Å; I424-L428 PolarHBondContact O-N 2.89Å; L425-L428 HydrophobicContact CD2-CD1 4.37Å; L425-L428 PolarHBondContact O-N 3.34Å
429	P	84.7	Confident	90.8	Very high	67 Å²	67	43.1 Å²	43.1	44%	0.435	23%	0.225	S	C	.	.	P	Polyproline II helix	trans	-54.3	143.5	177.6	-30.5	39	0	0	0	113.6
430	S	85.3	Confident	90.7	Very high	39 Å²	39	42.3 Å²	42.3	27%	0.273	23%	0.227	S	C	.	.	P	Polyproline II helix	trans	-68.1	138.1	179.3	-69.2	0	0	0	0	111.6	S146 Q150	S146-S430 WeakPolarHBondContact OG-CB 3.09Å; S146-S430 PolarHBondContact OG-O 2.81Å; Q150-S430 CarbonylContact O-C 3.35Å; Q150-S430 WeakPolarHBondContact O-CA 3.39Å
431	T	88.3	Confident	90.6	Very high	9 Å²	9	42.8 Å²	42.8	6%	0.055	23%	0.231	C	C	.	.	P	Polyproline II helix	trans	-68.2	161.9	-177.2	57.4	0	0	0	0	112.6	C147 Q150 L152 L435	C147-T431 WeakPolarHBondContact CB-O 3.46Å; C147-T431 PolarHBondContact N-O 2.85Å; Q150-T431 PolarHBondContact O-N 2.77Å; Q150-T431 PolarHBondContact O-OG1 3.25Å; Q150-T431 VanDerWaalsContact O-OG1 3.09Å; L152-T431 HydrophobicContact CB-CG2 4.37Å; L152-T431 HydrophobicContact CD2-CG2 3.48Å; L152-T431 VanDerWaalsContact CD2-CG2 3.48Å; L152-T431 HydrophobicContact CG-CG2 3.84Å; T431-L435 HydrophobicContact CG2-CD2 3.62Å
432	S	88.4	Confident	90.7	Very high	18 Å²	18	41.4 Å²	41.4	13%	0.126	23%	0.225	C	C	.	.	B	Isolated β-bridge	trans	-128.3	167.5	172	69.6	0	0	0	0	111.1	Q143 V145 F434 L435	Q143-S432 WeakPolarHBondContact O-CB 3.45Å; Q143-S432 PolarHBondContact O-OG 2.88Å; Q143-S432 VanDerWaalsContact O-OG 3.06Å; V145-S432 VanDerWaalsContact O-CB 3.28Å; V145-S432 WeakPolarHBondContact O-CB 3.4Å; S432-F434 PolarHBondContact O-N 2.91Å; S432-F434 VanDerWaalsContact O-N 3.09Å; S432-L435 PolarHBondContact O-N 3.45Å; S432-L435 VanDerWaalsContact O-N 3.08Å
433	G	90.7	Very high	90.7	Very high	23 Å²	23	40.6 Å²	40.6	24%	0.237	22%	0.22	C	C	.	.	H	α-helix	trans	-61	-17.8	178.2	0	0	0	0	0	114.3	Q143 S437	Q143-G433 PolarHBondContact O-N 3.5Å; G433-S437 WeakPolarHBondContact O-CB 3.43Å; G433-S437 PolarHBondContact O-N 3.03Å; G433-S437 PolarHBondContact O-OG 3.33Å
434	F	94.5	Very high	90.7	Very high	5 Å²	5	42.6 Å²	42.6	2%	0.022	23%	0.228	C	C	.	.	H	α-helix	trans	-62.1	-39.6	173	-170.1	-138.8	0	0	0	111.9	Q143 L144 S432 A438 L464 V468 N469 H476 L480	Q143-F434 HydrophobicContact CB-CB 4.42Å; Q143-F434 WeakPolarHBondContact O-CB 3.27Å; Q143-F434 PolarHBondContact O-N 3.32Å; L144-F434 HydrophobicContact CD2-CB 4.29Å; L144-F434 HydrophobicContact CD2-CD1 4.03Å; L144-F434 HydrophobicContact CD2-CD2 4.32Å; L144-F434 HydrophobicContact CD2-CE1 4.4Å; L144-F434 HydrophobicContact CD2-CG 4Å; S432-F434 PolarHBondContact O-N 2.91Å; S432-F434 VanDerWaalsContact O-N 3.09Å; F434-A438 VanDerWaalsContact O-CB 3.24Å; F434-A438 WeakPolarHBondContact O-CB 3.5Å; F434-A438 PolarHBondContact O-N 3.39Å; F434-L464 HydrophobicContact CZ-CB 4.46Å; F434-L464 HydrophobicContact CZ-CD1 4.42Å; F434-V468 HydrophobicContact CD2-CB 4.45Å; F434-V468 HydrophobicContact CD2-CG1 3.57Å; F434-V468 HydrophobicContact CE2-CB 4.06Å; F434-V468 HydrophobicContact CE2-CG1 3.66Å; F434-N469 HydrophobicContact CD2-CB 3.82Å; F434-N469 HydrophobicContact CE2-CB 3.65Å; F434-H476 HydrophobicContact CE1-CB 4.17Å; F434-L480 HydrophobicContact CD1-CB 3.99Å; F434-L480 HydrophobicContact CD1-CD1 4.5Å; F434-L480 HydrophobicContact CD1-CD2 3.71Å; F434-L480 HydrophobicContact CD1-CG 4.27Å; F434-L480 HydrophobicContact CD2-CD2 4.47Å; F434-L480 HydrophobicContact CE1-CB 3.8Å; F434-L480 HydrophobicContact CE1-CD2 3.35Å; F434-L480 HydrophobicContact CE1-CG 4.14Å; F434-L480 HydrophobicContact CE2-CD2 4.16Å; F434-L480 HydrophobicContact CG-CD2 4.25Å; F434-L480 HydrophobicContact CZ-CD2 3.6Å
435	L	93.7	Very high	90.7	Very high	6 Å²	6	42.1 Å²	42.1	3%	0.031	23%	0.225	C	C	.	.	H	α-helix	trans	-63.6	-51.7	179.2	177.7	66.9	0	0	0	112.2	L152 T431 S432 S437 A438 V439 L480 Q483 L484 I487	L152-L435 HydrophobicContact CD2-CD2 3.62Å; T431-L435 HydrophobicContact CG2-CD2 3.62Å; S432-L435 PolarHBondContact O-N 3.45Å; S432-L435 VanDerWaalsContact O-N 3.08Å; L435-S437 VanDerWaalsContact C-N 3.27Å; L435-S437 PolarHBondContact O-N 2.89Å; L435-A438 PolarHBondContact O-N 3.41Å; L435-V439 HydrophobicContact CD1-CG2 4.21Å; L435-V439 HydrophobicContact CG-CG2 4.5Å; L435-V439 WeakPolarHBondContact O-CG2 3.42Å; L435-V439 PolarHBondContact O-N 2.95Å; L435-L480 HydrophobicContact CB-CD1 4.12Å; L435-L480 HydrophobicContact CD1-CD1 3.6Å; L435-L480 HydrophobicContact CG-CD1 4.48Å; L435-Q483 HydrophobicContact CD1-CB 4Å; L435-Q483 HydrophobicContact CD2-CB 4.46Å; L435-L484 HydrophobicContact CD1-CD2 3.84Å; L435-L484 HydrophobicContact CD1-CG 4.03Å; L435-I487 HydrophobicContact CD1-CD1 4.36Å
436	E	89.6	Confident	90.8	Very high	69 Å²	69	43 Å²	43	32%	0.322	23%	0.228	S	C	.	.	H	α-helix	trans	-61	-38.9	-178.9	-68.2	-73.7	132	0	0	111.9	R153 T440	R153-E436 IonicContact CZ-OE1 3.83Å; R153-E436 IonicContact CZ-OE2 2.77Å; R153-E436 IonicContact NE-OE1 3.03Å; R153-E436 PolarHBondContact NE-OE1 3.01Å; R153-E436 IonicContact NH1-OE1 3.01Å; R153-E436 PolarHBondContact NH1-OE1 3.45Å; R153-E436 IonicContact NH1-OE2 3.05Å; R153-E436 PolarHBondContact NH1-OE2 3.42Å; R153-E436 IonicContact NH2-OE1 2.67Å; R153-E436 PolarHBondContact NH2-OE1 3.05Å; R153-E436 IonicContact NH2-OE2 3.86Å; R153-E436 PolarHBondContact NH2-OE2 3.49Å; E436-T440 PolarHBondContact O-N 3.28Å; E436-T440 PolarHBondContact O-OG1 3.24Å
437	S	92.2	Very high	90.9	Very high	35 Å²	35	42.6 Å²	42.6	25%	0.245	22%	0.224	C	C	.	.	H	α-helix	trans	-67.4	-45.6	175.6	-53.7	0	0	0	0	111.1	Q143 G433 L435 T440 T441	Q143-S437 PolarHBondContact NE2-OG 2.89Å; G433-S437 WeakPolarHBondContact O-CB 3.43Å; G433-S437 PolarHBondContact O-N 3.03Å; G433-S437 PolarHBondContact O-OG 3.33Å; L435-S437 VanDerWaalsContact C-N 3.27Å; L435-S437 PolarHBondContact O-N 2.89Å; S437-T440 WeakPolarHBondContact O-CB 3.41Å; S437-T440 PolarHBondContact O-N 3.42Å; S437-T441 PolarHBondContact O-N 2.92Å; S437-T441 PolarHBondContact O-OG1 3.37Å
438	A	95.3	Very high	91.1	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-64.9	-41.1	178.4	0	0	0	0	0	113.2	F434 L435 T440 T441 I442 L464 V468 L480	F434-A438 VanDerWaalsContact O-CB 3.24Å; F434-A438 WeakPolarHBondContact O-CB 3.5Å; F434-A438 PolarHBondContact O-N 3.39Å; L435-A438 PolarHBondContact O-N 3.41Å; A438-T440 PolarHBondContact O-N 3.4Å; A438-T441 PolarHBondContact O-N 3.26Å; A438-I442 WeakPolarHBondContact O-CB 3.33Å; A438-I442 WeakPolarHBondContact O-CD1 3.26Å; A438-I442 VanDerWaalsContact O-CG1 3.26Å; A438-I442 WeakPolarHBondContact O-CG1 3.4Å; A438-I442 PolarHBondContact O-N 2.91Å; A438-L464 HydrophobicContact CB-CD2 4.06Å; A438-V468 HydrophobicContact CB-CG1 4.36Å; A438-V468 HydrophobicContact CB-CG2 4.44Å; A438-L480 HydrophobicContact CB-CD1 3.91Å; A438-L480 HydrophobicContact CB-CD2 3.56Å; A438-L480 HydrophobicContact CB-CG 4.28Å
439	V	92.1	Very high	91.2	Very high	37 Å²	37	41.7 Å²	41.7	22%	0.224	23%	0.227	C	C	.	.	H	α-helix	trans	-58.6	-39.9	173.5	171.1	0	0	0	0	110.8	L435 S443 L484 I487 E489	L435-V439 HydrophobicContact CD1-CG2 4.21Å; L435-V439 HydrophobicContact CG-CG2 4.5Å; L435-V439 WeakPolarHBondContact O-CG2 3.42Å; L435-V439 PolarHBondContact O-N 2.95Å; V439-S443 VanDerWaalsContact O-CB 3.25Å; V439-S443 WeakPolarHBondContact O-CB 3.3Å; V439-S443 PolarHBondContact O-N 3.39Å; V439-L484 HydrophobicContact CG2-CD2 3.61Å; V439-I487 HydrophobicContact CG2-CD1 3.92Å; V439-E489 HydrophobicContact CG1-CG 4.46Å; V439-E489 HydrophobicContact CG2-CG 4.33Å
440	T	90.9	Very high	91.3	Very high	80 Å²	80	42 Å²	42	49%	0.491	24%	0.235	S	C	.	.	H	α-helix	trans	-65.7	-42.2	176.2	-56.8	0	0	0	0	111.9	E436 S437 A438 S443 Q444	E436-T440 PolarHBondContact O-N 3.28Å; E436-T440 PolarHBondContact O-OG1 3.24Å; S437-T440 WeakPolarHBondContact O-CB 3.41Å; S437-T440 PolarHBondContact O-N 3.42Å; A438-T440 PolarHBondContact O-N 3.4Å; T440-S443 WeakPolarHBondContact O-CB 3.46Å; T440-S443 PolarHBondContact O-N 3.01Å; T440-Q444 WeakPolarHBondContact O-CG 3.28Å; T440-Q444 PolarHBondContact O-N 2.94Å
441	T	93.2	Very high	91.5	Very high	15 Å²	15	42 Å²	42	9%	0.092	24%	0.235	C	C	.	.	H	α-helix	trans	-70.1	-41.9	177.5	-64.1	0	0	0	0	112.5	S437 A438 S443 Q444 L445 L467 V468	S437-T441 PolarHBondContact O-N 2.92Å; S437-T441 PolarHBondContact O-OG1 3.37Å; A438-T441 PolarHBondContact O-N 3.26Å; T441-S443 VanDerWaalsContact C-N 3.28Å; T441-S443 PolarHBondContact O-N 3.36Å; T441-Q444 WeakPolarHBondContact O-CA 3.38Å; T441-Q444 WeakPolarHBondContact O-CB 3.47Å; T441-Q444 PolarHBondContact O-N 3.46Å; T441-L445 HydrophobicContact CG2-CD1 4.18Å; T441-L445 HydrophobicContact CG2-CG 4.38Å; T441-L445 WeakPolarHBondContact O-CG 3.21Å; T441-L445 PolarHBondContact O-N 3.33Å; T441-L467 HydrophobicContact CG2-CB 3.74Å; T441-L467 HydrophobicContact CG2-CD1 3.91Å; T441-V468 HydrophobicContact CG2-CG2 4.01Å
442	I	93.8	Very high	91.7	Very high	2 Å²	2	42.6 Å²	42.6	1%	0.01	24%	0.238	C	C	.	.	H	α-helix	trans	-60.9	-39.3	175.1	-69.8	163.8	0	0	0	110.8	A438 Q444 L445 R446 F460 L484 I490 L507	A438-I442 WeakPolarHBondContact O-CB 3.33Å; A438-I442 WeakPolarHBondContact O-CD1 3.26Å; A438-I442 VanDerWaalsContact O-CG1 3.26Å; A438-I442 WeakPolarHBondContact O-CG1 3.4Å; A438-I442 PolarHBondContact O-N 2.91Å; I442-Q444 PolarHBondContact O-N 2.98Å; I442-L445 PolarHBondContact O-N 3.4Å; I442-R446 VanDerWaalsContact O-CG 3.31Å; I442-R446 WeakPolarHBondContact O-CG 3.18Å; I442-R446 PolarHBondContact O-N 3.28Å; I442-F460 HydrophobicContact CD1-CE2 4.13Å; I442-F460 HydrophobicContact CD1-CZ 4.35Å; I442-F460 HydrophobicContact CG1-CE2 4.39Å; I442-L484 HydrophobicContact CD1-CD1 3.49Å; I442-L484 VanDerWaalsContact CD1-CD1 3.49Å; I442-L484 HydrophobicContact CD1-CD2 3.84Å; I442-L484 HydrophobicContact CD1-CG 4.32Å; I442-I490 HydrophobicContact CD1-CG2 4.28Å; I442-L507 HydrophobicContact CG1-CD2 4.38Å; I442-L507 HydrophobicContact CG2-CB 4.49Å; I442-L507 HydrophobicContact CG2-CD2 4.24Å
443	S	90.4	Very high	92	Very high	29 Å²	29	41.9 Å²	41.9	20%	0.203	23%	0.233	C	C	.	.	H	α-helix	trans	-59.8	-25.9	171.8	168.4	0	0	0	0	113.9	F230 V439 T440 T441 K447	F230-S443 WeakPolarHBondContact CE2-OG 3.34Å; F230-S443 VanDerWaalsContact CZ-OG 3.31Å; F230-S443 WeakPolarHBondContact CZ-OG 3.19Å; V439-S443 VanDerWaalsContact O-CB 3.25Å; V439-S443 WeakPolarHBondContact O-CB 3.3Å; V439-S443 PolarHBondContact O-N 3.39Å; T440-S443 WeakPolarHBondContact O-CB 3.46Å; T440-S443 PolarHBondContact O-N 3.01Å; T441-S443 VanDerWaalsContact C-N 3.28Å; T441-S443 PolarHBondContact O-N 3.36Å; S443-K447 WeakPolarHBondContact O-CE 3.46Å
444	Q	91.8	Very high	92.3	Very high	98 Å²	98	41.4 Å²	41.4	46%	0.458	23%	0.225	S	C	.	.	H	α-helix	trans	-84.2	-47.4	171.5	-62.3	173.5	21.7	0	0	111.7	T440 T441 I442 R446 K447 Q448	T440-Q444 WeakPolarHBondContact O-CG 3.28Å; T440-Q444 PolarHBondContact O-N 2.94Å; T441-Q444 WeakPolarHBondContact O-CA 3.38Å; T441-Q444 WeakPolarHBondContact O-CB 3.47Å; T441-Q444 PolarHBondContact O-N 3.46Å; I442-Q444 PolarHBondContact O-N 2.98Å; Q444-R446 VanDerWaalsContact C-N 3.3Å; Q444-R446 PolarHBondContact O-N 3.46Å; Q444-K447 WeakPolarHBondContact O-CB 3.18Å; Q444-K447 PolarHBondContact O-N 2.91Å; Q444-Q448 PolarHBondContact O-N 3.44Å
445	L	93.5	Very high	92.3	Very high	4 Å²	4	41.7 Å²	41.7	2%	0.021	23%	0.227	C	C	.	.	H	α-helix	trans	-56.7	-40.7	179.5	-68.8	171.6	0	0	0	112.1	T441 I442 K447 Q448 M449 Y463 L467 L507	T441-L445 HydrophobicContact CG2-CD1 4.18Å; T441-L445 HydrophobicContact CG2-CG 4.38Å; T441-L445 WeakPolarHBondContact O-CG 3.21Å; T441-L445 PolarHBondContact O-N 3.33Å; I442-L445 PolarHBondContact O-N 3.4Å; L445-K447 PolarHBondContact O-N 3.49Å; L445-K447 VanDerWaalsContact O-N 3.1Å; L445-Q448 PolarHBondContact O-N 3.13Å; L445-M449 WeakPolarHBondContact O-CB 3.45Å; L445-M449 PolarHBondContact O-N 3.47Å; L445-Y463 HydrophobicContact CD1-CD1 4.44Å; L445-Y463 HydrophobicContact CD1-CG 4.29Å; L445-Y463 HydrophobicContact CD2-CD1 3.78Å; L445-Y463 HydrophobicContact CD2-CE1 3.76Å; L445-Y463 HydrophobicContact CD2-CG 4.32Å; L445-L467 HydrophobicContact CD2-CD1 4.22Å; L445-L507 HydrophobicContact CB-CD1 3.91Å; L445-L507 HydrophobicContact CD1-CD1 4.48Å
446	R	93	Very high	92.3	Very high	29 Å²	29	44.2 Å²	44.2	11%	0.109	24%	0.238	C	C	.	.	H	α-helix	trans	-52.2	-31.2	172.9	-76.8	174.3	-175	146	7.5	114.5	I442 Q444 E489 L507 N508	I442-R446 VanDerWaalsContact O-CG 3.31Å; I442-R446 WeakPolarHBondContact O-CG 3.18Å; I442-R446 PolarHBondContact O-N 3.28Å; Q444-R446 VanDerWaalsContact C-N 3.3Å; Q444-R446 PolarHBondContact O-N 3.46Å; R446-E489 IonicContact CZ-OE2 2.77Å; R446-E489 IonicContact NH1-OE2 2.82Å; R446-E489 PolarHBondContact NH1-OE2 3.01Å; R446-E489 PolarHBondContact NH2-O 2.76Å; R446-E489 IonicContact NH2-OE2 2.95Å; R446-E489 PolarHBondContact NH2-OE2 2.68Å; R446-L507 HydrophobicContact CG-CB 4.26Å; R446-L507 PolarHBondContact NE-O 3.49Å; R446-L507 PolarHBondContact NH2-O 3.31Å; R446-L507 VanDerWaalsContact NH2-O 3.09Å; R446-N508 HydrophobicContact CG-CB 4.47Å
447	K	90.8	Very high	92.5	Very high	135 Å²	135	42.3 Å²	42.3	59%	0.587	23%	0.228	S	C	*	.	H	α-helix	trans	-85.2	-30.6	-179.6	-58.2	173.4	-174.4	174.6	0	112	F230 S443 Q444 L445	F230-K447 VanDerWaalsContact CE1-CE 3.43Å; F230-K447 VanDerWaalsContact CZ-CE 3.5Å; S443-K447 WeakPolarHBondContact O-CE 3.46Å; Q444-K447 WeakPolarHBondContact O-CB 3.18Å; Q444-K447 PolarHBondContact O-N 2.91Å; L445-K447 PolarHBondContact O-N 3.49Å; L445-K447 VanDerWaalsContact O-N 3.1Å
448	Q	91.6	Very high	92.5	Very high	135 Å²	135	42.9 Å²	42.9	63%	0.631	23%	0.231	S	C	*	.	H	α-helix	trans	-77.9	-38.1	178.1	-65.3	172.3	-8	0	0	111.1	Q444 L445	Q444-Q448 PolarHBondContact O-N 3.44Å; L445-Q448 PolarHBondContact O-N 3.13Å
449	M	91.6	Very high	92.5	Very high	41 Å²	41	45.2 Å²	45.2	20%	0.202	24%	0.243	C	C	.	.			trans	-102.2	39.7	-175.4	-56.1	-173.6	70.8	0	0	112.6	L445 S451 L452 P453 V454 L455 L507	L445-M449 WeakPolarHBondContact O-CB 3.45Å; L445-M449 PolarHBondContact O-N 3.47Å; M449-S451 PolarHBondContact O-N 3.38Å; M449-L452 CarbonylContact O-C 3.59Å; M449-L452 PolarHBondContact O-N 3.18Å; M449-P453 VanDerWaalsContact O-CA 3.22Å; M449-P453 WeakPolarHBondContact O-CA 3.37Å; M449-P453 WeakPolarHBondContact O-CB 3.38Å; M449-V454 WeakPolarHBondContact CE-O 3.24Å; M449-L455 HydrophobicContact CE-CD2 3.62Å; M449-L455 HydrophobicContact CE-CG 4.29Å; M449-L455 HydrophobicContact SD-CD2 3.81Å; M449-L455 HydrophobicContact SD-CG 4.21Å; M449-L507 HydrophobicContact SD-CD1 4.16Å
450	A	86.8	Confident	92.7	Very high	72 Å²	72	43.6 Å²	43.6	60%	0.595	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-23.1	-171.8	0	0	0	0	0	114.6
451	S	88.9	Confident	92.9	Very high	40 Å²	40	40.8 Å²	40.8	28%	0.28	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-37.2	176.3	50.6	0	0	0	0	113.5	M449 T546 S548	M449-S451 PolarHBondContact O-N 3.38Å; S451-T546 VanDerWaalsContact CA-O 3.24Å; S451-T546 WeakPolarHBondContact CA-O 3.46Å; S451-T546 WeakPolarHBondContact CB-O 3.43Å; S451-S548 WeakPolarHBondContact CB-OG 3.46Å; S451-S548 PolarHBondContact OG-OG 3.32Å
452	L	93.5	Very high	92.9	Very high	21 Å²	21	45.8 Å²	45.8	11%	0.11	23%	0.232	C	C	.	.			trans	-149.9	85.5	-179.6	-177.6	58.1	0	0	0	108.5	M449 V454 W511 D549 F553	M449-L452 CarbonylContact O-C 3.59Å; M449-L452 PolarHBondContact O-N 3.18Å; L452-V454 HydrophobicContact CD1-CB 4.27Å; L452-V454 HydrophobicContact CD1-CG2 4Å; L452-V454 HydrophobicContact CG-CB 4.37Å; L452-V454 PolarHBondContact O-N 3.1Å; L452-W511 HydrophobicContact CD1-CH2 3.57Å; L452-W511 HydrophobicContact CD1-CZ2 3.91Å; L452-D549 HydrophobicContact CD2-CB 4.07Å; L452-F553 HydrophobicContact CD1-CB 4.49Å; L452-F553 HydrophobicContact CD1-CD2 4.3Å
453	P	95	Very high	93	Very high	3 Å²	3	48.6 Å²	48.6	2%	0.019	24%	0.243	C	C	.	.			trans	-80.9	57.4	-172.8	33.2	-36.4	0	0	0	111.4	M449 L507 N508 W511	M449-P453 VanDerWaalsContact O-CA 3.22Å; M449-P453 WeakPolarHBondContact O-CA 3.37Å; M449-P453 WeakPolarHBondContact O-CB 3.38Å; P453-L507 WeakPolarHBondContact O-CB 3.45Å; P453-L507 PolarHBondContact O-N 3.34Å; P453-N508 HydrophobicContact CB-CB 3.86Å; P453-N508 HydrophobicContact CG-CB 3.8Å; P453-W511 HydrophobicContact CG-CB 4.05Å; P453-W511 HydrophobicContact CG-CD2 3.54Å; P453-W511 HydrophobicContact CG-CE3 3.74Å; P453-W511 HydrophobicContact CG-CG 3.67Å; P453-W511 HydrophobicContact CG-CZ3 4.46Å
454	V	95.2	Very high	93.3	Very high	13 Å²	13	47.4 Å²	47.4	8%	0.079	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	143.1	-169.6	-171.8	0	0	0	0	109.4	M449 L452 F504 I505 V506 W511 L556	M449-V454 WeakPolarHBondContact CE-O 3.24Å; L452-V454 HydrophobicContact CD1-CB 4.27Å; L452-V454 HydrophobicContact CD1-CG2 4Å; L452-V454 HydrophobicContact CG-CB 4.37Å; L452-V454 PolarHBondContact O-N 3.1Å; V454-F504 HydrophobicContact CG1-CB 4.17Å; V454-F504 HydrophobicContact CG1-CD1 3.81Å; V454-F504 HydrophobicContact CG1-CG 4.47Å; V454-I505 WeakPolarHBondContact CA-O 3.41Å; V454-V506 HydrophobicContact CG1-CG2 4.18Å; V454-V506 HydrophobicContact CG2-CG1 4.32Å; V454-V506 HydrophobicContact CG2-CG2 4.26Å; V454-W511 HydrophobicContact CG2-CE3 4.25Å; V454-W511 HydrophobicContact CG2-CH2 3.95Å; V454-W511 HydrophobicContact CG2-CZ3 3.48Å; V454-W511 VanDerWaalsContact CG2-CZ3 3.48Å; V454-L556 HydrophobicContact CG1-CD1 4.29Å; V454-L556 HydrophobicContact CG1-CD2 4.25Å; V454-L556 HydrophobicContact CG2-CD2 3.84Å
455	L	95	Very high	93.5	Very high	12 Å²	12	44.7 Å²	44.7	6%	0.063	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	158	175.4	-67.8	170.7	0	0	0	110	M449 D459 F460 Y463 F504 I505 L507	M449-L455 HydrophobicContact CE-CD2 3.62Å; M449-L455 HydrophobicContact CE-CG 4.29Å; M449-L455 HydrophobicContact SD-CD2 3.81Å; M449-L455 HydrophobicContact SD-CG 4.21Å; L455-D459 HydrophobicContact CB-CB 4.28Å; L455-D459 HydrophobicContact CD2-CB 4Å; L455-F460 HydrophobicContact CB-CB 4.35Å; L455-F460 HydrophobicContact CD1-CB 4.36Å; L455-F460 HydrophobicContact CD1-CD2 4.18Å; L455-Y463 HydrophobicContact CD1-CD2 3.64Å; L455-Y463 HydrophobicContact CD1-CE2 4.17Å; L455-Y463 HydrophobicContact CD1-CG 4.45Å; L455-Y463 HydrophobicContact CD2-CD2 3.86Å; L455-Y463 HydrophobicContact CD2-CE2 3.59Å; L455-Y463 HydrophobicContact CG-CD2 4.44Å; L455-F504 CarbonylContact O-C 3.54Å; L455-F504 WeakPolarHBondContact O-CA 3.09Å; L455-I505 PolarHBondContact N-O 3.27Å; L455-I505 PolarHBondContact O-N 3.03Å; L455-L507 HydrophobicContact CD1-CD1 3.93Å; L455-L507 HydrophobicContact CD1-CD2 4.3Å; L455-L507 HydrophobicContact CD1-CG 4.44Å; L455-L507 HydrophobicContact CG-CD1 4.14Å
456	K	93.6	Very high	93.5	Very high	58 Å²	58	49 Å²	49	25%	0.252	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	162.5	160.9	-68.4	-177.2	-179.5	168.7	0	110.6	D459 F460 D503 E552	K456-D459 PolarHBondContact O-N 2.7Å; K456-F460 PolarHBondContact O-N 2.67Å; K456-D503 CarbonylContact C-O 3.23Å; K456-D503 WeakPolarHBondContact CA-O 3.35Å; K456-E552 WeakPolarHBondContact CE-OE1 3.43Å; K456-E552 WeakPolarHBondContact CE-OE2 3.33Å; K456-E552 IonicContact NZ-OE1 3.12Å; K456-E552 PolarHBondContact NZ-OE1 3.09Å; K456-E552 IonicContact NZ-OE2 2.66Å; K456-E552 PolarHBondContact NZ-OE2 2.87Å
457	W	93.7	Very high	93.6	Very high	29 Å²	29	51.9 Å²	51.9	11%	0.11	26%	0.259	C	S	.	.	H	α-helix	trans	-52.8	-48.8	177.2	-179.3	-115.3	0	0	0	113.7	D459 F460 L461 E474 C477 E478 A481 D503 I505	W457-D459 VanDerWaalsContact C-N 3.31Å; W457-D459 PolarHBondContact O-N 3.39Å; W457-F460 AromaticContact CE3-CD1 3.97Å; W457-F460 HydrophobicContact CE3-CD1 3.97Å; W457-F460 HydrophobicContact CH2-CD1 4.48Å; W457-F460 AromaticContact CZ3-CD1 3.61Å; W457-F460 HydrophobicContact CZ3-CD1 3.61Å; W457-F460 HydrophobicContact CZ3-CE1 4.03Å; W457-F460 PolarHBondContact O-N 3.38Å; W457-L461 HydrophobicContact CD2-CG 4.31Å; W457-L461 HydrophobicContact CH2-CD2 4.08Å; W457-L461 HydrophobicContact CZ2-CD1 4.44Å; W457-L461 HydrophobicContact CZ2-CD2 3.64Å; W457-L461 HydrophobicContact CZ2-CG 4.12Å; W457-L461 WeakPolarHBondContact O-CG 3.47Å; W457-L461 PolarHBondContact O-N 2.9Å; W457-E474 HydrophobicContact CZ2-CG 4.27Å; W457-E474 PolarHBondContact NE1-OE1 2.8Å; W457-C477 HydrophobicContact CH2-CB 4.24Å; W457-C477 HydrophobicContact CZ2-CB 4.49Å; W457-E478 HydrophobicContact CH2-CG 4.32Å; W457-E478 HydrophobicContact CZ2-CG 3.87Å; W457-A481 HydrophobicContact CH2-CB 4.14Å; W457-A481 HydrophobicContact CZ3-CB 3.89Å; W457-D503 HydrophobicContact CB-CB 4.44Å; W457-D503 PolarHBondContact N-O 3.3Å; W457-I505 HydrophobicContact CE3-CD1 3.96Å; W457-I505 HydrophobicContact CE3-CG1 4.03Å; W457-I505 HydrophobicContact CZ3-CD1 4.24Å
458	P	93.5	Very high	93.8	Very high	48 Å²	48	46 Å²	46	31%	0.312	23%	0.234	S	C	.	.	H	α-helix	trans	-63.5	-34.3	178.5	-23	35.6	0	0	0	113.3	R462 E501	P458-R462 VanDerWaalsContact O-CB 3.3Å; P458-R462 WeakPolarHBondContact O-CB 3.36Å; P458-R462 PolarHBondContact O-N 3.11Å; P458-E501 VanDerWaalsContact CD-O 3.28Å; P458-E501 WeakPolarHBondContact CD-O 3.27Å; P458-E501 HydrophobicContact CG-CB 3.78Å; P458-E501 HydrophobicContact CG-CG 3.93Å
459	D	94.6	Very high	94	Very high	49 Å²	49	39.5 Å²	39.5	26%	0.262	20%	0.204	S	C	.	.	H	α-helix	trans	-70.7	-39.5	175.4	-71.8	-52.3	0	0	0	112.2	L455 K456 W457 R462 Y463	L455-D459 HydrophobicContact CB-CB 4.28Å; L455-D459 HydrophobicContact CD2-CB 4Å; K456-D459 PolarHBondContact O-N 2.7Å; W457-D459 VanDerWaalsContact C-N 3.31Å; W457-D459 PolarHBondContact O-N 3.39Å; D459-R462 WeakPolarHBondContact O-CB 3.48Å; D459-R462 PolarHBondContact O-N 2.93Å; D459-R462 IonicContact OD1-CZ 3.38Å; D459-R462 IonicContact OD1-NE 3.3Å; D459-R462 PolarHBondContact OD1-NE 3.4Å; D459-R462 IonicContact OD1-NH2 2.66Å; D459-R462 PolarHBondContact OD1-NH2 3.42Å; D459-Y463 WeakPolarHBondContact O-CD2 3.21Å; D459-Y463 PolarHBondContact O-N 3.38Å
460	F	95.7	Very high	94.3	Very high	2 Å²	2	38 Å²	38	1%	0.009	20%	0.197	C	C	.	.	H	α-helix	trans	-62.4	-44.6	174	-176.2	-110.7	0	0	0	111.2	I442 L455 K456 W457 R462 Y463 L464 A481 L484 I505 L507	I442-F460 HydrophobicContact CD1-CE2 4.13Å; I442-F460 HydrophobicContact CD1-CZ 4.35Å; I442-F460 HydrophobicContact CG1-CE2 4.39Å; L455-F460 HydrophobicContact CB-CB 4.35Å; L455-F460 HydrophobicContact CD1-CB 4.36Å; L455-F460 HydrophobicContact CD1-CD2 4.18Å; K456-F460 PolarHBondContact O-N 2.67Å; W457-F460 AromaticContact CE3-CD1 3.97Å; W457-F460 HydrophobicContact CE3-CD1 3.97Å; W457-F460 HydrophobicContact CH2-CD1 4.48Å; W457-F460 AromaticContact CZ3-CD1 3.61Å; W457-F460 HydrophobicContact CZ3-CD1 3.61Å; W457-F460 HydrophobicContact CZ3-CE1 4.03Å; W457-F460 PolarHBondContact O-N 3.38Å; F460-R462 VanDerWaalsContact C-N 3.35Å; F460-R462 PolarHBondContact O-N 3.06Å; F460-Y463 PolarHBondContact O-N 3.03Å; F460-L464 HydrophobicContact CD1-CD1 3.92Å; F460-L464 HydrophobicContact CE1-CD1 3.54Å; F460-L464 HydrophobicContact CE1-CG 4.3Å; F460-L464 HydrophobicContact CZ-CD1 3.92Å; F460-L464 HydrophobicContact CZ-CD2 4.37Å; F460-L464 HydrophobicContact CZ-CG 4.29Å; F460-L464 WeakPolarHBondContact O-CG 3.49Å; F460-L464 PolarHBondContact O-N 3.18Å; F460-A481 HydrophobicContact CE1-CB 4.33Å; F460-L484 HydrophobicContact CZ-CD1 3.88Å; F460-I505 HydrophobicContact CB-CB 4.28Å; F460-I505 HydrophobicContact CB-CG1 3.95Å; F460-I505 HydrophobicContact CD1-CG1 4.05Å; F460-I505 HydrophobicContact CD1-CG2 4.39Å; F460-I505 HydrophobicContact CD2-CB 4.33Å; F460-I505 HydrophobicContact CD2-CG2 3.74Å; F460-I505 HydrophobicContact CE2-CG2 3.91Å; F460-I505 HydrophobicContact CG-CB 4.2Å; F460-I505 HydrophobicContact CG-CG1 3.94Å; F460-I505 HydrophobicContact CG-CG2 3.99Å; F460-I505 HydrophobicContact CZ-CG2 4.31Å; F460-L507 HydrophobicContact CD2-CD2 4.3Å; F460-L507 HydrophobicContact CE2-CD2 4.24Å
461	L	95	Very high	94.7	Very high	22 Å²	22	34.6 Å²	34.6	12%	0.115	17%	0.169	C	C	.	.	H	α-helix	trans	-56.3	-47.2	170.1	-69.2	-177.9	0	0	0	111.8	W457 Y463 L464 H465 E474 C477	W457-L461 HydrophobicContact CD2-CG 4.31Å; W457-L461 HydrophobicContact CH2-CD2 4.08Å; W457-L461 HydrophobicContact CZ2-CD1 4.44Å; W457-L461 HydrophobicContact CZ2-CD2 3.64Å; W457-L461 HydrophobicContact CZ2-CG 4.12Å; W457-L461 WeakPolarHBondContact O-CG 3.47Å; W457-L461 PolarHBondContact O-N 2.9Å; L461-Y463 PolarHBondContact O-N 3.01Å; L461-L464 PolarHBondContact O-N 3.3Å; L461-H465 PolarHBondContact O-N 3.03Å; L461-H465 PolarHBondContact O-ND1 2.96Å; L461-E474 HydrophobicContact CD1-CG 4.21Å; L461-E474 HydrophobicContact CD2-CG 4.45Å; L461-C477 HydrophobicContact CD2-CB 3.24Å
462	R	95	Very high	95.1	Very high	120 Å²	120	32.7 Å²	32.7	45%	0.453	16%	0.156	S	C	.	.	H	α-helix	trans	-59	-45.8	178.6	-177.6	167	66	111.1	-6.2	111.6	P458 D459 F460 H465 Q466	P458-R462 VanDerWaalsContact O-CB 3.3Å; P458-R462 WeakPolarHBondContact O-CB 3.36Å; P458-R462 PolarHBondContact O-N 3.11Å; D459-R462 WeakPolarHBondContact O-CB 3.48Å; D459-R462 PolarHBondContact O-N 2.93Å; D459-R462 IonicContact OD1-CZ 3.38Å; D459-R462 IonicContact OD1-NE 3.3Å; D459-R462 PolarHBondContact OD1-NE 3.4Å; D459-R462 IonicContact OD1-NH2 2.66Å; D459-R462 PolarHBondContact OD1-NH2 3.42Å; F460-R462 VanDerWaalsContact C-N 3.35Å; F460-R462 PolarHBondContact O-N 3.06Å; R462-H465 PolarHBondContact O-N 3.01Å; R462-Q466 VanDerWaalsContact O-CB 3.27Å; R462-Q466 WeakPolarHBondContact O-CB 3.3Å; R462-Q466 VanDerWaalsContact O-CG 3.23Å; R462-Q466 WeakPolarHBondContact O-CG 2.97Å; R462-Q466 PolarHBondContact O-N 3.11Å
463	Y	95.8	Very high	95	Very high	61 Å²	61	32.2 Å²	32.2	24%	0.239	15%	0.154	C	C	.	.	H	α-helix	trans	-65.7	-38.6	175.9	-83.2	-68	0	0	0	113	L445 L455 D459 F460 L461 Q466 L467	L445-Y463 HydrophobicContact CD1-CD1 4.44Å; L445-Y463 HydrophobicContact CD1-CG 4.29Å; L445-Y463 HydrophobicContact CD2-CD1 3.78Å; L445-Y463 HydrophobicContact CD2-CE1 3.76Å; L445-Y463 HydrophobicContact CD2-CG 4.32Å; L455-Y463 HydrophobicContact CD1-CD2 3.64Å; L455-Y463 HydrophobicContact CD1-CE2 4.17Å; L455-Y463 HydrophobicContact CD1-CG 4.45Å; L455-Y463 HydrophobicContact CD2-CD2 3.86Å; L455-Y463 HydrophobicContact CD2-CE2 3.59Å; L455-Y463 HydrophobicContact CG-CD2 4.44Å; D459-Y463 WeakPolarHBondContact O-CD2 3.21Å; D459-Y463 PolarHBondContact O-N 3.38Å; F460-Y463 PolarHBondContact O-N 3.03Å; L461-Y463 PolarHBondContact O-N 3.01Å; Y463-Q466 PolarHBondContact O-N 3.18Å; Y463-L467 HydrophobicContact CD1-CD1 3.71Å; Y463-L467 HydrophobicContact CD1-CG 4.31Å; Y463-L467 HydrophobicContact CE1-CD1 4.32Å; Y463-L467 VanDerWaalsContact O-CB 3.31Å; Y463-L467 WeakPolarHBondContact O-CB 3.38Å; Y463-L467 PolarHBondContact O-N 2.74Å
464	L	96.3	Very high	94.7	Very high	4 Å²	4	36.6 Å²	36.6	2%	0.021	17%	0.174	C	C	.	.	H	α-helix	trans	-63.5	-48	174.7	-71.2	176.3	0	0	0	111.9	F434 A438 F460 L461 Q466 V468 N469 C477 L480	F434-L464 HydrophobicContact CZ-CB 4.46Å; F434-L464 HydrophobicContact CZ-CD1 4.42Å; A438-L464 HydrophobicContact CB-CD2 4.06Å; F460-L464 HydrophobicContact CD1-CD1 3.92Å; F460-L464 HydrophobicContact CE1-CD1 3.54Å; F460-L464 HydrophobicContact CE1-CG 4.3Å; F460-L464 HydrophobicContact CZ-CD1 3.92Å; F460-L464 HydrophobicContact CZ-CD2 4.37Å; F460-L464 HydrophobicContact CZ-CG 4.29Å; F460-L464 WeakPolarHBondContact O-CG 3.49Å; F460-L464 PolarHBondContact O-N 3.18Å; L461-L464 PolarHBondContact O-N 3.3Å; L464-Q466 VanDerWaalsContact C-N 3.35Å; L464-Q466 PolarHBondContact O-N 3.05Å; L464-V468 HydrophobicContact CD2-CB 4.38Å; L464-V468 HydrophobicContact CD2-CG2 3.82Å; L464-V468 WeakPolarHBondContact O-CA 3.44Å; L464-V468 WeakPolarHBondContact O-CB 3.29Å; L464-V468 PolarHBondContact O-N 2.8Å; L464-N469 PolarHBondContact O-N 3.3Å; L464-C477 HydrophobicContact CD1-CB 3.86Å; L464-L480 HydrophobicContact CD1-CD2 3.79Å; L464-L480 HydrophobicContact CD2-CD2 3.65Å; L464-L480 HydrophobicContact CG-CD2 4.38Å
465	H	95.3	Very high	94.4	Very high	41 Å²	41	42.4 Å²	42.4	19%	0.19	20%	0.198	C	C	.	.	H	α-helix	trans	-63.1	-39.3	176.7	-67.3	122.1	0	0	0	112.5	K93 L461 R462 N469 P470 S472	K93-H465 PolarHBondContact NZ-NE2 2.89Å; L461-H465 PolarHBondContact O-N 3.03Å; L461-H465 PolarHBondContact O-ND1 2.96Å; R462-H465 PolarHBondContact O-N 3.01Å; H465-N469 WeakPolarHBondContact CA-O 3.33Å; H465-P470 WeakPolarHBondContact O-CA 3.19Å; H465-S472 PolarHBondContact CD2-O 2.93Å; H465-S472 PolarHBondContact CD2-OG 3.28Å; H465-S472 PolarHBondContact NE2-O 3.36Å; H465-S472 PolarHBondContact NE2-OG 3.42Å
466	Q	94.1	Very high	94.3	Very high	94 Å²	94	44.3 Å²	44.3	44%	0.439	21%	0.207	S	C	.	.	H	α-helix	trans	-79.4	-36	-176.4	-72.4	-178	1.2	0	0	114.1	R130 R462 Y463 L464	R130-Q466 PolarHBondContact NH1-O 3.05Å; R130-Q466 PolarHBondContact NH2-O 3.11Å; R462-Q466 VanDerWaalsContact O-CB 3.27Å; R462-Q466 WeakPolarHBondContact O-CB 3.3Å; R462-Q466 VanDerWaalsContact O-CG 3.23Å; R462-Q466 WeakPolarHBondContact O-CG 2.97Å; R462-Q466 PolarHBondContact O-N 3.11Å; Y463-Q466 PolarHBondContact O-N 3.18Å; L464-Q466 VanDerWaalsContact C-N 3.35Å; L464-Q466 PolarHBondContact O-N 3.05Å
467	L	94.7	Very high	94.4	Very high	90 Å²	90	41.5 Å²	41.5	47%	0.471	20%	0.195	S	C	.	.	H	α-helix	trans	-116.6	-11.4	-169.9	-56.3	-175.2	0	0	0	115.2	T441 L445 Y463	T441-L467 HydrophobicContact CG2-CB 3.74Å; T441-L467 HydrophobicContact CG2-CD1 3.91Å; L445-L467 HydrophobicContact CD2-CD1 4.22Å; Y463-L467 HydrophobicContact CD1-CD1 3.71Å; Y463-L467 HydrophobicContact CD1-CG 4.31Å; Y463-L467 HydrophobicContact CE1-CD1 4.32Å; Y463-L467 VanDerWaalsContact O-CB 3.31Å; Y463-L467 WeakPolarHBondContact O-CB 3.38Å; Y463-L467 PolarHBondContact O-N 2.74Å
468	V	95.8	Very high	94.4	Very high	10 Å²	10	42.7 Å²	42.7	6%	0.061	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-118.8	-62.4	-178.6	-169.2	0	0	0	0	111.1	Q143 F434 A438 T441 L464	Q143-V468 PolarHBondContact OE1-O 2.73Å; F434-V468 HydrophobicContact CD2-CB 4.45Å; F434-V468 HydrophobicContact CD2-CG1 3.57Å; F434-V468 HydrophobicContact CE2-CB 4.06Å; F434-V468 HydrophobicContact CE2-CG1 3.66Å; A438-V468 HydrophobicContact CB-CG1 4.36Å; A438-V468 HydrophobicContact CB-CG2 4.44Å; T441-V468 HydrophobicContact CG2-CG2 4.01Å; L464-V468 HydrophobicContact CD2-CB 4.38Å; L464-V468 HydrophobicContact CD2-CG2 3.82Å; L464-V468 WeakPolarHBondContact O-CA 3.44Å; L464-V468 WeakPolarHBondContact O-CB 3.29Å; L464-V468 PolarHBondContact O-N 2.8Å
469	N	96.1	Very high	94.3	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	20%	0.198	C	C	.	.			trans	-155.4	110.9	-174.6	-166.6	-46.9	0	0	0	111.8	Y140 Q143 F434 L464 H465 L471 S472	Y140-N469 WeakPolarHBondContact CA-ND2 3.38Å; Y140-N469 HydrophobicContact CD1-CB 4.27Å; Y140-N469 PolarHBondContact O-ND2 3.38Å; Q143-N469 PolarHBondContact OE1-ND2 3.32Å; F434-N469 HydrophobicContact CD2-CB 3.82Å; F434-N469 HydrophobicContact CE2-CB 3.65Å; L464-N469 PolarHBondContact O-N 3.3Å; H465-N469 WeakPolarHBondContact CA-O 3.33Å; N469-L471 PolarHBondContact O-N 2.85Å; N469-L471 WeakPolarHBondContact OD1-CA 3.31Å; N469-L471 WeakPolarHBondContact OD1-CB 3.19Å; N469-L471 PolarHBondContact OD1-N 3.03Å; N469-S472 PolarHBondContact O-N 2.97Å; N469-S472 PolarHBondContact O-OG 3.11Å; N469-S472 PolarHBondContact OD1-N 3.3Å
470	P	96.4	Very high	94.3	Very high	10 Å²	10	40.6 Å²	40.6	7%	0.065	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.4	-11.7	-178.4	33.3	-36.5	0	0	0	113.5	K93 L127 R130 Y140 H465	K93-P470 WeakPolarHBondContact CE-O 3.43Å; L127-P470 HydrophobicContact CD1-CB 3.82Å; L127-P470 HydrophobicContact CD1-CG 4.25Å; R130-P470 HydrophobicContact CB-CG 4.31Å; Y140-P470 HydrophobicContact CD2-CG 4.06Å; Y140-P470 VanDerWaalsContact CE1-CD 3.47Å; Y140-P470 HydrophobicContact CE1-CG 4.41Å; Y140-P470 HydrophobicContact CE2-CG 3.72Å; Y140-P470 VanDerWaalsContact CZ-CD 3.45Å; H465-P470 WeakPolarHBondContact O-CA 3.19Å
471	L	96.6	Very high	94.2	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.8	-1.8	175	-66.7	176.3	0	0	0	113.3	K93 C96 L97 L127 V131 R137 I141 L144 N469	K93-L471 HydrophobicContact CB-CD2 4.35Å; K93-L471 HydrophobicContact CG-CD2 4.4Å; C96-L471 HydrophobicContact CB-CD1 4.29Å; C96-L471 HydrophobicContact CB-CD2 3.5Å; L97-L471 HydrophobicContact CD2-CB 3.95Å; L97-L471 HydrophobicContact CD2-CD1 4.24Å; L97-L471 HydrophobicContact CG-CB 4.33Å; L127-L471 HydrophobicContact CD1-CD2 3.97Å; V131-L471 HydrophobicContact CG1-CD1 4.07Å; V131-L471 HydrophobicContact CG1-CD2 4.26Å; V131-L471 HydrophobicContact CG1-CG 4.06Å; R137-L471 HydrophobicContact CG-CD1 4.37Å; I141-L471 HydrophobicContact CG1-CD1 4.33Å; L144-L471 HydrophobicContact CD1-CB 4.19Å; N469-L471 PolarHBondContact O-N 2.85Å; N469-L471 WeakPolarHBondContact OD1-CA 3.31Å; N469-L471 WeakPolarHBondContact OD1-CB 3.19Å; N469-L471 PolarHBondContact OD1-N 3.03Å
472	S	95.4	Very high	94.1	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	20%	0.197	C	C	.	.			trans	-61.6	154.7	170.9	62.8	0	0	0	0	111	K93 H465 N469	K93-S472 WeakPolarHBondContact CD-O 3.26Å; K93-S472 WeakPolarHBondContact CE-O 3.48Å; K93-S472 PolarHBondContact NZ-O 3.41Å; H465-S472 PolarHBondContact CD2-O 2.93Å; H465-S472 PolarHBondContact CD2-OG 3.28Å; H465-S472 PolarHBondContact NE2-O 3.36Å; H465-S472 PolarHBondContact NE2-OG 3.42Å; N469-S472 PolarHBondContact O-N 2.97Å; N469-S472 PolarHBondContact O-OG 3.11Å; N469-S472 PolarHBondContact OD1-N 3.3Å
473	S	91.5	Very high	94	Very high	10 Å²	10	37.4 Å²	37.4	7%	0.07	18%	0.177	C	C	.	.			trans	-113.7	167.5	170.9	61.3	0	0	0	0	108	F475 H476 C477	S473-F475 VanDerWaalsContact C-N 3.25Å; S473-F475 PolarHBondContact O-N 2.69Å; S473-H476 PolarHBondContact N-ND1 2.76Å; S473-H476 WeakPolarHBondContact O-CB 3.39Å; S473-H476 PolarHBondContact O-N 2.65Å; S473-H476 PolarHBondContact OG-N 3.49Å; S473-H476 PolarHBondContact OG-ND1 3.12Å; S473-C477 PolarHBondContact O-N 3.44Å; S473-C477 VanDerWaalsContact O-N 3.07Å; S473-C477 PolarHBondContact O-SG 2.86Å; S473-C477 VanDerWaalsContact O-SG 3.42Å
474	E	90	Very high	93.9	Very high	95 Å²	95	34.5 Å²	34.5	44%	0.444	17%	0.166	S	C	.	.	H	α-helix	trans	-55	-42.2	176.1	-176.1	162.7	-144.5	0	0	112	W457 L461 H476 C477 E478	W457-E474 HydrophobicContact CZ2-CG 4.27Å; W457-E474 PolarHBondContact NE1-OE1 2.8Å; L461-E474 HydrophobicContact CD1-CG 4.21Å; L461-E474 HydrophobicContact CD2-CG 4.45Å; E474-H476 VanDerWaalsContact C-N 3.33Å; E474-H476 PolarHBondContact O-N 3.37Å; E474-C477 CarbonylContact O-C 3.58Å; E474-C477 WeakPolarHBondContact O-CA 3.45Å; E474-C477 WeakPolarHBondContact O-CB 3.28Å; E474-C477 PolarHBondContact O-N 2.95Å; E474-E478 HydrophobicContact CG-CG 4.27Å; E474-E478 WeakPolarHBondContact O-CG 3.26Å; E474-E478 PolarHBondContact O-N 2.85Å
475	F	89.1	Confident	93.7	Very high	135 Å²	135	36.7 Å²	36.7	59%	0.592	18%	0.176	S	C	*	.	H	α-helix	trans	-56	-41.2	173.5	177.7	-98.5	0	0	0	113.8	S473 C477 H479	S473-F475 VanDerWaalsContact C-N 3.25Å; S473-F475 PolarHBondContact O-N 2.69Å; F475-C477 VanDerWaalsContact C-N 3.29Å; F475-C477 PolarHBondContact O-N 2.76Å; F475-H479 PolarHBondContact O-N 3.34Å; F475-H479 VanDerWaalsContact O-N 3.17Å
476	H	92.7	Very high	93.5	Very high	52 Å²	52	35.5 Å²	35.5	24%	0.241	17%	0.17	C	C	.	.	H	α-helix	trans	-64.6	-36.5	174.3	-66.1	133.4	0	0	0	111.4	L144 F434 S473 E474 L480	L144-H476 HydrophobicContact CD2-CB 4.1Å; F434-H476 HydrophobicContact CE1-CB 4.17Å; S473-H476 PolarHBondContact N-ND1 2.76Å; S473-H476 WeakPolarHBondContact O-CB 3.39Å; S473-H476 PolarHBondContact O-N 2.65Å; S473-H476 PolarHBondContact OG-N 3.49Å; S473-H476 PolarHBondContact OG-ND1 3.12Å; E474-H476 VanDerWaalsContact C-N 3.33Å; E474-H476 PolarHBondContact O-N 3.37Å; H476-L480 VanDerWaalsContact O-CB 3.28Å; H476-L480 WeakPolarHBondContact O-CB 3.44Å; H476-L480 PolarHBondContact O-N 3.09Å
477	C	95.1	Very high	93.4	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-76	-37.3	179.3	-62.7	0	0	0	0	113.2	W457 L461 L464 S473 E474 F475 L480 A481	W457-C477 HydrophobicContact CH2-CB 4.24Å; W457-C477 HydrophobicContact CZ2-CB 4.49Å; L461-C477 HydrophobicContact CD2-CB 3.24Å; L464-C477 HydrophobicContact CD1-CB 3.86Å; S473-C477 PolarHBondContact O-N 3.44Å; S473-C477 VanDerWaalsContact O-N 3.07Å; S473-C477 PolarHBondContact O-SG 2.86Å; S473-C477 VanDerWaalsContact O-SG 3.42Å; E474-C477 CarbonylContact O-C 3.58Å; E474-C477 WeakPolarHBondContact O-CA 3.45Å; E474-C477 WeakPolarHBondContact O-CB 3.28Å; E474-C477 PolarHBondContact O-N 2.95Å; F475-C477 VanDerWaalsContact C-N 3.29Å; F475-C477 PolarHBondContact O-N 2.76Å; C477-L480 PolarHBondContact O-N 3.09Å; C477-A481 WeakPolarHBondContact O-CB 3.29Å; C477-A481 PolarHBondContact O-N 2.73Å
478	E	93.2	Very high	93.1	Very high	53 Å²	53	27.4 Å²	27.4	25%	0.248	13%	0.13	C	C	.	.	H	α-helix	trans	-56.6	-54.4	171.2	-74.4	-176.5	162.8	0	0	109.8	W457 E474 L480 A481 E482 R899	W457-E478 HydrophobicContact CH2-CG 4.32Å; W457-E478 HydrophobicContact CZ2-CG 3.87Å; E474-E478 HydrophobicContact CG-CG 4.27Å; E474-E478 WeakPolarHBondContact O-CG 3.26Å; E474-E478 PolarHBondContact O-N 2.85Å; E478-L480 VanDerWaalsContact C-N 3.3Å; E478-L480 PolarHBondContact O-N 2.83Å; E478-A481 WeakPolarHBondContact O-CA 3.42Å; E478-A481 WeakPolarHBondContact O-CB 3.47Å; E478-A481 PolarHBondContact O-N 2.69Å; E478-E482 PolarHBondContact O-N 3.12Å; E478-R899 IonicContact OE1-CZ 3.77Å; E478-R899 IonicContact OE1-NH2 2.77Å; E478-R899 PolarHBondContact OE1-NH2 2.79Å; E478-R899 IonicContact OE2-CZ 2.82Å; E478-R899 IonicContact OE2-NE 3.82Å; E478-R899 IonicContact OE2-NH2 3.53Å; E478-R899 PolarHBondContact OE2-NH2 3.42Å
479	H	92	Very high	92.8	Very high	50 Å²	50	27.2 Å²	27.2	23%	0.231	13%	0.129	C	C	.	.	H	α-helix	trans	-66	-33.5	-179.3	-169.2	50	0	0	0	112.5	F475 E482 Q483	F475-H479 PolarHBondContact O-N 3.34Å; F475-H479 VanDerWaalsContact O-N 3.17Å; H479-E482 IonicContact CE1-OE2 2.72Å; H479-E482 IonicContact CG-OE2 2.69Å; H479-E482 IonicContact ND1-OE2 3.13Å; H479-E482 PolarHBondContact ND1-OE2 3.01Å; H479-E482 PolarHBondContact O-N 2.88Å; H479-Q483 PolarHBondContact CD2-NE2 3.46Å; H479-Q483 PolarHBondContact NE2-NE2 2.87Å; H479-Q483 WeakPolarHBondContact O-CG 3.49Å; H479-Q483 PolarHBondContact O-N 3.26Å
480	L	94.9	Very high	92.7	Very high	4 Å²	4	27.2 Å²	27.2	2%	0.021	13%	0.129	C	C	.	.	H	α-helix	trans	-62.4	-42.5	169.5	172.2	62.6	0	0	0	111.8	F434 L435 A438 L464 H476 C477 E478 Q483 L484	F434-L480 HydrophobicContact CD1-CB 3.99Å; F434-L480 HydrophobicContact CD1-CD1 4.5Å; F434-L480 HydrophobicContact CD1-CD2 3.71Å; F434-L480 HydrophobicContact CD1-CG 4.27Å; F434-L480 HydrophobicContact CD2-CD2 4.47Å; F434-L480 HydrophobicContact CE1-CB 3.8Å; F434-L480 HydrophobicContact CE1-CD2 3.35Å; F434-L480 HydrophobicContact CE1-CG 4.14Å; F434-L480 HydrophobicContact CE2-CD2 4.16Å; F434-L480 HydrophobicContact CG-CD2 4.25Å; F434-L480 HydrophobicContact CZ-CD2 3.6Å; L435-L480 HydrophobicContact CB-CD1 4.12Å; L435-L480 HydrophobicContact CD1-CD1 3.6Å; L435-L480 HydrophobicContact CG-CD1 4.48Å; A438-L480 HydrophobicContact CB-CD1 3.91Å; A438-L480 HydrophobicContact CB-CD2 3.56Å; A438-L480 HydrophobicContact CB-CG 4.28Å; L464-L480 HydrophobicContact CD1-CD2 3.79Å; L464-L480 HydrophobicContact CD2-CD2 3.65Å; L464-L480 HydrophobicContact CG-CD2 4.38Å; H476-L480 VanDerWaalsContact O-CB 3.28Å; H476-L480 WeakPolarHBondContact O-CB 3.44Å; H476-L480 PolarHBondContact O-N 3.09Å; C477-L480 PolarHBondContact O-N 3.09Å; E478-L480 VanDerWaalsContact C-N 3.3Å; E478-L480 PolarHBondContact O-N 2.83Å; L480-Q483 PolarHBondContact O-N 3.37Å; L480-L484 HydrophobicContact CD1-CD1 3.91Å; L480-L484 HydrophobicContact CD1-CG 3.93Å; L480-L484 HydrophobicContact CD2-CD1 4.42Å; L480-L484 HydrophobicContact CG-CD1 3.78Å; L480-L484 HydrophobicContact CG-CG 4.28Å; L480-L484 WeakPolarHBondContact O-CB 3.49Å; L480-L484 WeakPolarHBondContact O-CG 3.43Å; L480-L484 PolarHBondContact O-N 2.91Å
481	A	94.3	Very high	92.6	Very high	7 Å²	7	26.9 Å²	26.9	6%	0.058	13%	0.127	C	C	.	.	H	α-helix	trans	-64.1	-41	177.8	0	0	0	0	0	111.6	W457 F460 C477 E478 L484 Q485 I490	W457-A481 HydrophobicContact CH2-CB 4.14Å; W457-A481 HydrophobicContact CZ3-CB 3.89Å; F460-A481 HydrophobicContact CE1-CB 4.33Å; C477-A481 WeakPolarHBondContact O-CB 3.29Å; C477-A481 PolarHBondContact O-N 2.73Å; E478-A481 WeakPolarHBondContact O-CA 3.42Å; E478-A481 WeakPolarHBondContact O-CB 3.47Å; E478-A481 PolarHBondContact O-N 2.69Å; A481-L484 PolarHBondContact O-N 3.46Å; A481-Q485 VanDerWaalsContact O-CB 3.3Å; A481-Q485 WeakPolarHBondContact O-CB 3.14Å; A481-Q485 PolarHBondContact O-N 3.44Å; A481-I490 HydrophobicContact CB-CD1 4.31Å
482	E	92.7	Very high	92.4	Very high	62 Å²	62	28.4 Å²	28.4	29%	0.29	14%	0.137	S	C	.	.	H	α-helix	trans	-55.7	-53.4	169.9	-66	178.9	147.3	0	0	111.2	E478 H479 L484 Q485 H486	E478-E482 PolarHBondContact O-N 3.12Å; H479-E482 IonicContact CE1-OE2 2.72Å; H479-E482 IonicContact CG-OE2 2.69Å; H479-E482 IonicContact ND1-OE2 3.13Å; H479-E482 PolarHBondContact ND1-OE2 3.01Å; H479-E482 PolarHBondContact O-N 2.88Å; E482-L484 PolarHBondContact O-N 2.79Å; E482-Q485 CarbonylContact O-C 3.55Å; E482-Q485 WeakPolarHBondContact O-CA 3.3Å; E482-Q485 PolarHBondContact O-N 3.2Å; E482-H486 PolarHBondContact O-N 3.17Å; E482-H486 PolarHBondContact O-ND1 3.32Å
483	Q	93.1	Very high	92.2	Very high	8 Å²	8	28.6 Å²	28.6	4%	0.037	14%	0.138	C	C	.	.	H	α-helix	trans	-58.2	-45.2	179.1	-71.8	-177.1	9.1	0	0	111.9	L152 L435 H479 L480 Q485 H486 I487	L152-Q483 HydrophobicContact CD2-CB 4Å; L152-Q483 HydrophobicContact CD2-CG 4.09Å; L435-Q483 HydrophobicContact CD1-CB 4Å; L435-Q483 HydrophobicContact CD2-CB 4.46Å; H479-Q483 PolarHBondContact CD2-NE2 3.46Å; H479-Q483 PolarHBondContact NE2-NE2 2.87Å; H479-Q483 WeakPolarHBondContact O-CG 3.49Å; H479-Q483 PolarHBondContact O-N 3.26Å; L480-Q483 PolarHBondContact O-N 3.37Å; Q483-Q485 VanDerWaalsContact C-N 3.29Å; Q483-Q485 PolarHBondContact O-N 2.96Å; Q483-H486 PolarHBondContact O-N 3.21Å; Q483-I487 WeakPolarHBondContact O-CG1 3.19Å; Q483-I487 WeakPolarHBondContact O-CG2 3.44Å; Q483-I487 PolarHBondContact O-N 2.86Å
484	L	93.6	Very high	91.8	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-61.5	-35	175.6	-71.3	167.5	0	0	0	112.2	L435 V439 I442 F460 L480 A481 E482 I487 G488 E489 I490	L435-L484 HydrophobicContact CD1-CD2 3.84Å; L435-L484 HydrophobicContact CD1-CG 4.03Å; V439-L484 HydrophobicContact CG2-CD2 3.61Å; I442-L484 HydrophobicContact CD1-CD1 3.49Å; I442-L484 VanDerWaalsContact CD1-CD1 3.49Å; I442-L484 HydrophobicContact CD1-CD2 3.84Å; I442-L484 HydrophobicContact CD1-CG 4.32Å; F460-L484 HydrophobicContact CZ-CD1 3.88Å; L480-L484 HydrophobicContact CD1-CD1 3.91Å; L480-L484 HydrophobicContact CD1-CG 3.93Å; L480-L484 HydrophobicContact CD2-CD1 4.42Å; L480-L484 HydrophobicContact CG-CD1 3.78Å; L480-L484 HydrophobicContact CG-CG 4.28Å; L480-L484 WeakPolarHBondContact O-CB 3.49Å; L480-L484 WeakPolarHBondContact O-CG 3.43Å; L480-L484 PolarHBondContact O-N 2.91Å; A481-L484 PolarHBondContact O-N 3.46Å; E482-L484 PolarHBondContact O-N 2.79Å; L484-I487 HydrophobicContact CD2-CD1 4.33Å; L484-I487 WeakPolarHBondContact O-CG1 3.08Å; L484-G488 PolarHBondContact O-N 2.78Å; L484-E489 HydrophobicContact CD2-CB 4.17Å; L484-E489 PolarHBondContact O-N 2.84Å; L484-I490 HydrophobicContact CB-CD1 3.63Å; L484-I490 HydrophobicContact CB-CG1 3.75Å; L484-I490 HydrophobicContact CB-CG2 4.45Å; L484-I490 HydrophobicContact CD1-CD1 4.15Å; L484-I490 PolarHBondContact O-N 3.36Å
485	Q	92	Very high	91.3	Very high	49 Å²	49	30.1 Å²	30.1	23%	0.229	14%	0.141	C	C	.	.	H	α-helix	trans	-77.1	-32.8	176	-167.2	174.9	9.5	0	0	112.3	K156 A481 E482 Q483 G488 I490 C492	K156-Q485 WeakPolarHBondContact CE-O 3.45Å; K156-Q485 PolarHBondContact NZ-O 2.73Å; A481-Q485 VanDerWaalsContact O-CB 3.3Å; A481-Q485 WeakPolarHBondContact O-CB 3.14Å; A481-Q485 PolarHBondContact O-N 3.44Å; E482-Q485 CarbonylContact O-C 3.55Å; E482-Q485 WeakPolarHBondContact O-CA 3.3Å; E482-Q485 PolarHBondContact O-N 3.2Å; Q483-Q485 VanDerWaalsContact C-N 3.29Å; Q483-Q485 PolarHBondContact O-N 2.96Å; Q485-G488 PolarHBondContact O-N 2.92Å; Q485-I490 HydrophobicContact CB-CG1 4.37Å; Q485-C492 PolarHBondContact OE1-SG 3.04Å
486	H	90.8	Very high	90.2	Very high	16 Å²	16	26.3 Å²	26.3	7%	0.074	13%	0.127	C	C	.	.	H	α-helix	trans	-66.1	-45	171.4	-73.9	118.1	0	0	0	111.9	L152 K156 N298 N300 E482 Q483 G488	L152-H486 HydrophobicContact CD1-CB 4.21Å; K156-H486 PolarHBondContact N-O 3.17Å; N298-H486 PolarHBondContact ND2-CD2 2.86Å; N298-H486 PolarHBondContact ND2-NE2 3.36Å; N298-H486 PolarHBondContact OD1-CD2 3.32Å; N298-H486 PolarHBondContact OD1-NE2 2.96Å; N300-H486 WeakPolarHBondContact CB-NE2 3.49Å; N300-H486 PolarHBondContact ND2-NE2 2.88Å; E482-H486 PolarHBondContact O-N 3.17Å; E482-H486 PolarHBondContact O-ND1 3.32Å; Q483-H486 PolarHBondContact O-N 3.21Å; H486-G488 PolarHBondContact O-N 3.41Å
487	I	90.9	Very high	88.6	Confident	14 Å²	14	27.5 Å²	27.5	7%	0.072	14%	0.135	C	C	.	.	H	α-helix	trans	-75.5	-14.7	175.1	71.9	176.5	0	0	0	112.5	L152 R154 S278 L435 V439 Q483 L484 E489	L152-I487 HydrophobicContact CB-CG2 4.33Å; L152-I487 HydrophobicContact CD2-CG2 3.81Å; R154-I487 HydrophobicContact CB-CB 4.27Å; R154-I487 HydrophobicContact CB-CG2 4.36Å; R154-I487 VanDerWaalsContact CZ-O 3.26Å; R154-I487 PolarHBondContact NE-O 3.44Å; R154-I487 PolarHBondContact NH2-O 3.06Å; R154-I487 WeakPolarHBondContact O-CG2 2.97Å; S278-I487 WeakPolarHBondContact CB-O 3.42Å; L435-I487 HydrophobicContact CD1-CD1 4.36Å; V439-I487 HydrophobicContact CG2-CD1 3.92Å; Q483-I487 WeakPolarHBondContact O-CG1 3.19Å; Q483-I487 WeakPolarHBondContact O-CG2 3.44Å; Q483-I487 PolarHBondContact O-N 2.86Å; L484-I487 HydrophobicContact CD2-CD1 4.33Å; L484-I487 WeakPolarHBondContact O-CG1 3.08Å; I487-E489 HydrophobicContact CD1-CB 4.3Å; I487-E489 HydrophobicContact CD1-CG 3.59Å; I487-E489 HydrophobicContact CG1-CB 4.24Å; I487-E489 HydrophobicContact CG1-CG 3.85Å
488	G	88.9	Confident	86.8	Confident	0 Å²	0	33.3 Å²	33.3	0%	0	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	74	31.6	178.2	0	0	0	0	0	115.2	T227 L484 Q485 H486	T227-G488 WeakPolarHBondContact CG2-O 3.3Å; L484-G488 PolarHBondContact O-N 2.78Å; Q485-G488 PolarHBondContact O-N 2.92Å; H486-G488 PolarHBondContact O-N 3.41Å
489	E	90.5	Very high	85.2	Confident	6 Å²	6	39 Å²	39	3%	0.028	19%	0.19	C	C	.	.	S	Bend	trans	-78	-28.5	166.5	-72.9	-64.6	138.4	0	0	111.7	R154 V439 R446 L484 I487 P509	R154-E489 IonicContact CZ-OE1 2.86Å; R154-E489 IonicContact NH1-OE1 3.5Å; R154-E489 PolarHBondContact NH1-OE1 3.29Å; R154-E489 IonicContact NH2-OE1 3.72Å; R154-E489 PolarHBondContact NH2-OE1 2.73Å; V439-E489 HydrophobicContact CG1-CG 4.46Å; V439-E489 HydrophobicContact CG2-CG 4.33Å; R446-E489 IonicContact CZ-OE2 2.77Å; R446-E489 IonicContact NH1-OE2 2.82Å; R446-E489 PolarHBondContact NH1-OE2 3.01Å; R446-E489 PolarHBondContact NH2-O 2.76Å; R446-E489 IonicContact NH2-OE2 2.95Å; R446-E489 PolarHBondContact NH2-OE2 2.68Å; L484-E489 HydrophobicContact CD2-CB 4.17Å; L484-E489 PolarHBondContact O-N 2.84Å; I487-E489 HydrophobicContact CD1-CB 4.3Å; I487-E489 HydrophobicContact CD1-CG 3.59Å; I487-E489 HydrophobicContact CG1-CB 4.24Å; I487-E489 HydrophobicContact CG1-CG 3.85Å; E489-P509 VanDerWaalsContact O-CD 3.31Å; E489-P509 WeakPolarHBondContact O-CD 3.18Å
490	I	93.8	Very high	83.6	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	21%	0.206	C	C	.	.			trans	-127.7	164.8	177.6	69.9	-178.8	0	0	0	112.6	I442 A481 L484 Q485 I505 V506	I442-I490 HydrophobicContact CD1-CG2 4.28Å; A481-I490 HydrophobicContact CB-CD1 4.31Å; L484-I490 HydrophobicContact CB-CD1 3.63Å; L484-I490 HydrophobicContact CB-CG1 3.75Å; L484-I490 HydrophobicContact CB-CG2 4.45Å; L484-I490 HydrophobicContact CD1-CD1 4.15Å; L484-I490 PolarHBondContact O-N 3.36Å; Q485-I490 HydrophobicContact CB-CG1 4.37Å; I490-I505 HydrophobicContact CB-CG2 4.44Å; I490-I505 HydrophobicContact CD1-CG2 4.07Å; I490-I505 HydrophobicContact CG2-CG2 4.38Å; I490-V506 WeakPolarHBondContact CA-O 3.44Å
491	V	92.6	Very high	82.3	Confident	4 Å²	4	46.9 Å²	46.9	2%	0.024	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	121.6	157.8	-178.2	0	0	0	0	108.3	W280 F295 V493 V506 P509	W280-V491 HydrophobicContact CH2-CG2 3.57Å; W280-V491 HydrophobicContact CZ3-CG2 4.33Å; F295-V491 HydrophobicContact CD1-CG1 4.44Å; F295-V491 HydrophobicContact CE1-CG1 4.25Å; F295-V491 HydrophobicContact CE1-CG2 4.47Å; V491-V493 HydrophobicContact CG1-CG2 3.74Å; V491-V506 HydrophobicContact CB-CB 4.27Å; V491-V506 PolarHBondContact N-O 2.86Å; V491-V506 VanDerWaalsContact N-O 3.15Å; V491-V506 WeakPolarHBondContact O-CB 3.17Å; V491-V506 PolarHBondContact O-N 2.82Å; V491-P509 HydrophobicContact CG2-CB 3.99Å; V491-P509 HydrophobicContact CG2-CG 4.11Å
492	C	92.7	Very high	81.6	Confident	31 Å²	31	47.9 Å²	47.9	21%	0.209	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	117.6	165.9	-49.2	0	0	0	0	107.3	Q485 F504 I505	Q485-C492 PolarHBondContact OE1-SG 3.04Å; C492-F504 CarbonylContact C-O 3.58Å; C492-F504 WeakPolarHBondContact CA-O 3.39Å; C492-I505 HydrophobicContact CB-CD1 4.04Å; C492-I505 VanDerWaalsContact SG-CD1 3.6Å
493	V	91.2	Very high	81.5	Confident	4 Å²	4	46.2 Å²	46.2	2%	0.024	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	113.4	176.6	-178.7	0	0	0	0	107.1	V491 F504 V506 L512 A559 V560	V491-V493 HydrophobicContact CG1-CG2 3.74Å; V493-F504 HydrophobicContact CB-CB 4.29Å; V493-F504 PolarHBondContact N-O 3.47Å; V493-F504 PolarHBondContact O-N 3.32Å; V493-V506 HydrophobicContact CG2-CG2 4Å; V493-L512 HydrophobicContact CG2-CD2 4.41Å; V493-A559 VanDerWaalsContact CG1-C 3.43Å; V493-A559 HydrophobicContact CG1-CB 3.96Å; V493-A559 VanDerWaalsContact CG1-O 3.28Å; V493-A559 WeakPolarHBondContact CG1-O 3.34Å; V493-V560 HydrophobicContact CG1-CG2 3.84Å; V493-V560 HydrophobicContact CG2-CG2 4.2Å
494	R	83.7	Confident	81.5	Confident	119 Å²	119	46.1 Å²	46.1	45%	0.449	23%	0.234	S	C	.	.			trans	-74	143	178.9	-61.4	-140.8	-170.6	111.3	3.8	111.8	R294 D503 A901	R294-R494 PolarHBondContact NH1-O 2.81Å; R494-D503 WeakPolarHBondContact CA-OD1 3.49Å; R494-D503 WeakPolarHBondContact CB-OD1 3.28Å; R494-D503 VanDerWaalsContact CD-OD2 3.26Å; R494-D503 WeakPolarHBondContact CD-OD2 3.41Å; R494-D503 VanDerWaalsContact CG-OD2 3.28Å; R494-D503 WeakPolarHBondContact CG-OD2 3.39Å; R494-D503 IonicContact NE-OD2 3.61Å; R494-A901 VanDerWaalsContact CZ-O 3.26Å; R494-A901 PolarHBondContact NH1-O 2.84Å; R494-A901 PolarHBondContact NH2-O 2.92Å
495	S	78.9	Confident	81.6	Confident	18 Å²	18	46.3 Å²	46.3	13%	0.126	24%	0.235	C	C	.	.			trans	-77.2	147.2	162.7	-158.1	0	0	0	0	109	N497 S502 D503	S495-N497 PolarHBondContact O-N 3.41Å; S495-N497 PolarHBondContact OG-ND2 2.98Å; S495-S502 WeakPolarHBondContact CB-OG 3.32Å; S495-S502 PolarHBondContact OG-OG 3.48Å; S495-D503 PolarHBondContact N-OD1 2.74Å
496	D	65.7	Low	81.7	Confident	56 Å²	56	44 Å²	44	30%	0.299	22%	0.224	S	C	.	.	S	Bend	trans	-82.4	8.9	174.3	-39.3	-57	0	0	0	111.7	R294 R626	R294-D496 IonicContact CZ-OD1 2.66Å; R294-D496 IonicContact NH1-OD1 2.82Å; R294-D496 PolarHBondContact NH1-OD1 3.07Å; R294-D496 IonicContact NH2-OD1 3.11Å; R294-D496 PolarHBondContact NH2-OD1 3.36Å; R294-D496 VanDerWaalsContact NH2-OD1 3.09Å; D496-R626 IonicContact OD2-CZ 2.8Å; D496-R626 VanDerWaalsContact OD2-CZ 3.27Å; D496-R626 IonicContact OD2-NH1 3.94Å; D496-R626 PolarHBondContact OD2-NH1 3.28Å; D496-R626 IonicContact OD2-NH2 2.92Å; D496-R626 PolarHBondContact OD2-NH2 2.8Å
497	N	59.6	Low	82	Confident	76 Å²	76	43.2 Å²	43.2	41%	0.406	22%	0.22	S	C	.	.	S	Bend	trans	-78.8	156.7	175.9	-72.3	-55	0	0	0	112.5	S495 Y499	S495-N497 PolarHBondContact O-N 3.41Å; S495-N497 PolarHBondContact OG-ND2 2.98Å; N497-Y499 VanDerWaalsContact C-N 3.25Å; N497-Y499 PolarHBondContact O-N 3.07Å
498	V	57.1	Low	82	Confident	122 Å²	122	44.6 Å²	44.6	74%	0.739	23%	0.228	S	C	*	.	S	Bend	trans	-63.3	-25.9	-178.8	-174.9	0	0	0	0	113.8
499	Y	59.7	Low	82.1	Confident	172 Å²	172	44.8 Å²	44.8	68%	0.675	23%	0.229	S	C	*	.			trans	-101.1	115.9	-174	-58.4	-71.1	0	0	0	112.1	N497 E501 S502	N497-Y499 VanDerWaalsContact C-N 3.25Å; N497-Y499 PolarHBondContact O-N 3.07Å; Y499-E501 PolarHBondContact O-N 2.92Å; Y499-E501 VanDerWaalsContact O-N 3.13Å; Y499-S502 PolarHBondContact O-N 3.19Å; Y499-S502 VanDerWaalsContact O-N 3.09Å; Y499-S502 PolarHBondContact O-OG 3.22Å
500	P	58.4	Low	82	Confident	87 Å²	87	46.1 Å²	46.1	57%	0.565	24%	0.237	S	C	*	.	G	3₁₀ helix	trans	-67.6	-13.7	-176.4	28	-35.7	0	0	0	113.8	S502 D503	P500-S502 PolarHBondContact O-N 3.13Å; P500-S502 VanDerWaalsContact O-N 3.09Å; P500-D503 WeakPolarHBondContact O-CB 2.96Å; P500-D503 PolarHBondContact O-N 2.95Å
501	E	68.1	Low	81.9	Confident	133 Å²	133	46.5 Å²	46.5	62%	0.621	24%	0.238	S	C	*	.	G	3₁₀ helix	trans	-59.4	-16.8	169.8	-65.5	-174.2	-145	0	0	113.6	P458 Y499	P458-E501 VanDerWaalsContact CD-O 3.28Å; P458-E501 WeakPolarHBondContact CD-O 3.27Å; P458-E501 HydrophobicContact CG-CB 3.78Å; P458-E501 HydrophobicContact CG-CG 3.93Å; Y499-E501 PolarHBondContact O-N 2.92Å; Y499-E501 VanDerWaalsContact O-N 3.13Å
502	S	78.7	Confident	81.9	Confident	28 Å²	28	46.3 Å²	46.3	20%	0.196	24%	0.237	C	C	.	.	G	3₁₀ helix	trans	-87	-0.6	174.5	64.6	0	0	0	0	114.7	S495 Y499 P500 F504	S495-S502 WeakPolarHBondContact CB-OG 3.32Å; S495-S502 PolarHBondContact OG-OG 3.48Å; Y499-S502 PolarHBondContact O-N 3.19Å; Y499-S502 VanDerWaalsContact O-N 3.09Å; Y499-S502 PolarHBondContact O-OG 3.22Å; P500-S502 PolarHBondContact O-N 3.13Å; P500-S502 VanDerWaalsContact O-N 3.09Å; S502-F504 WeakPolarHBondContact O-CD2 3.42Å; S502-F504 WeakPolarHBondContact O-CE2 3.45Å
503	D	90.7	Very high	81.8	Confident	27 Å²	27	44.8 Å²	44.8	14%	0.144	23%	0.227	C	C	.	.			trans	-68.5	143.4	175.5	-81.4	4.9	0	0	0	112.5	K456 W457 R494 S495 P500	K456-D503 CarbonylContact C-O 3.23Å; K456-D503 WeakPolarHBondContact CA-O 3.35Å; W457-D503 HydrophobicContact CB-CB 4.44Å; W457-D503 PolarHBondContact N-O 3.3Å; R494-D503 WeakPolarHBondContact CA-OD1 3.49Å; R494-D503 WeakPolarHBondContact CB-OD1 3.28Å; R494-D503 VanDerWaalsContact CD-OD2 3.26Å; R494-D503 WeakPolarHBondContact CD-OD2 3.41Å; R494-D503 VanDerWaalsContact CG-OD2 3.28Å; R494-D503 WeakPolarHBondContact CG-OD2 3.39Å; R494-D503 IonicContact NE-OD2 3.61Å; S495-D503 PolarHBondContact N-OD1 2.74Å; P500-D503 WeakPolarHBondContact O-CB 2.96Å; P500-D503 PolarHBondContact O-N 2.95Å
504	F	93.9	Very high	81.4	Confident	6 Å²	6	47.3 Å²	47.3	3%	0.026	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	131.2	-176.6	-67.6	-91	0	0	0	112.5	V454 L455 C492 V493 S502 E552 R555 L556 A559	V454-F504 HydrophobicContact CG1-CB 4.17Å; V454-F504 HydrophobicContact CG1-CD1 3.81Å; V454-F504 HydrophobicContact CG1-CG 4.47Å; L455-F504 CarbonylContact O-C 3.54Å; L455-F504 WeakPolarHBondContact O-CA 3.09Å; C492-F504 CarbonylContact C-O 3.58Å; C492-F504 WeakPolarHBondContact CA-O 3.39Å; V493-F504 HydrophobicContact CB-CB 4.29Å; V493-F504 PolarHBondContact N-O 3.47Å; V493-F504 PolarHBondContact O-N 3.32Å; S502-F504 WeakPolarHBondContact O-CD2 3.42Å; S502-F504 WeakPolarHBondContact O-CE2 3.45Å; F504-E552 HydrophobicContact CE1-CG 4.22Å; F504-E552 VanDerWaalsContact CE1-OE1 3.29Å; F504-E552 WeakPolarHBondContact CE1-OE1 3.48Å; F504-E552 VanDerWaalsContact CZ-OE1 3.24Å; F504-E552 WeakPolarHBondContact CZ-OE1 3.36Å; F504-R555 HydrophobicContact CE2-CB 4.46Å; F504-R555 HydrophobicContact CZ-CB 3.76Å; F504-L556 HydrophobicContact CB-CD1 3.82Å; F504-L556 HydrophobicContact CD1-CB 4.25Å; F504-L556 HydrophobicContact CD1-CD1 4.02Å; F504-L556 HydrophobicContact CD2-CD1 4.32Å; F504-L556 HydrophobicContact CE1-CB 4.12Å; F504-L556 HydrophobicContact CG-CD1 3.81Å; F504-L556 HydrophobicContact CZ-CB 4.39Å; F504-A559 HydrophobicContact CD2-CB 3.68Å; F504-A559 HydrophobicContact CE2-CB 3.74Å
505	I	95.6	Very high	81.7	Confident	4 Å²	4	45.5 Å²	45.5	2%	0.021	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	100.3	171	-56.8	-58.6	0	0	0	108.9	V454 L455 W457 F460 I490 C492 L507	V454-I505 WeakPolarHBondContact CA-O 3.41Å; L455-I505 PolarHBondContact N-O 3.27Å; L455-I505 PolarHBondContact O-N 3.03Å; W457-I505 HydrophobicContact CE3-CD1 3.96Å; W457-I505 HydrophobicContact CE3-CG1 4.03Å; W457-I505 HydrophobicContact CZ3-CD1 4.24Å; F460-I505 HydrophobicContact CB-CB 4.28Å; F460-I505 HydrophobicContact CB-CG1 3.95Å; F460-I505 HydrophobicContact CD1-CG1 4.05Å; F460-I505 HydrophobicContact CD1-CG2 4.39Å; F460-I505 HydrophobicContact CD2-CB 4.33Å; F460-I505 HydrophobicContact CD2-CG2 3.74Å; F460-I505 HydrophobicContact CE2-CG2 3.91Å; F460-I505 HydrophobicContact CG-CB 4.2Å; F460-I505 HydrophobicContact CG-CG1 3.94Å; F460-I505 HydrophobicContact CG-CG2 3.99Å; F460-I505 HydrophobicContact CZ-CG2 4.31Å; I490-I505 HydrophobicContact CB-CG2 4.44Å; I490-I505 HydrophobicContact CD1-CG2 4.07Å; I490-I505 HydrophobicContact CG2-CG2 4.38Å; C492-I505 HydrophobicContact CB-CD1 4.04Å; C492-I505 VanDerWaalsContact SG-CD1 3.6Å; I505-L507 HydrophobicContact CG2-CD2 4.06Å; I505-L507 PolarHBondContact O-N 2.82Å
506	V	95.2	Very high	82.3	Confident	0 Å²	0	44.8 Å²	44.8	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	104.8	177.7	-178.9	0	0	0	0	108.7	V454 I490 V491 V493 W511 L512 L556	V454-V506 HydrophobicContact CG1-CG2 4.18Å; V454-V506 HydrophobicContact CG2-CG1 4.32Å; V454-V506 HydrophobicContact CG2-CG2 4.26Å; I490-V506 WeakPolarHBondContact CA-O 3.44Å; V491-V506 HydrophobicContact CB-CB 4.27Å; V491-V506 PolarHBondContact N-O 2.86Å; V491-V506 VanDerWaalsContact N-O 3.15Å; V491-V506 WeakPolarHBondContact O-CB 3.17Å; V491-V506 PolarHBondContact O-N 2.82Å; V493-V506 HydrophobicContact CG2-CG2 4Å; V506-W511 HydrophobicContact CG1-CE3 4.44Å; V506-L512 HydrophobicContact CG1-CB 3.97Å; V506-L512 HydrophobicContact CG1-CD2 4.25Å; V506-L512 HydrophobicContact CG2-CD2 4.03Å; V506-L556 HydrophobicContact CG2-CD1 3.99Å
507	L	95.4	Very high	83.6	Confident	0 Å²	0	42.1 Å²	42.1	0%	0	22%	0.215	C	C	.	.	S	Bend	trans	-71.5	-30.1	-175.7	-58.2	176.4	0	0	0	112.4	I442 L445 R446 M449 P453 L455 F460 I505 P509	I442-L507 HydrophobicContact CG1-CD2 4.38Å; I442-L507 HydrophobicContact CG2-CB 4.49Å; I442-L507 HydrophobicContact CG2-CD2 4.24Å; L445-L507 HydrophobicContact CB-CD1 3.91Å; L445-L507 HydrophobicContact CD1-CD1 4.48Å; R446-L507 HydrophobicContact CG-CB 4.26Å; R446-L507 PolarHBondContact NE-O 3.49Å; R446-L507 PolarHBondContact NH2-O 3.31Å; R446-L507 VanDerWaalsContact NH2-O 3.09Å; M449-L507 HydrophobicContact SD-CD1 4.16Å; P453-L507 WeakPolarHBondContact O-CB 3.45Å; P453-L507 PolarHBondContact O-N 3.34Å; L455-L507 HydrophobicContact CD1-CD1 3.93Å; L455-L507 HydrophobicContact CD1-CD2 4.3Å; L455-L507 HydrophobicContact CD1-CG 4.44Å; L455-L507 HydrophobicContact CG-CD1 4.14Å; F460-L507 HydrophobicContact CD2-CD2 4.3Å; F460-L507 HydrophobicContact CE2-CD2 4.24Å; I505-L507 HydrophobicContact CG2-CD2 4.06Å; I505-L507 PolarHBondContact O-N 2.82Å; L507-P509 WeakPolarHBondContact O-CD 3.47Å
508	N	92.5	Very high	85	Confident	44 Å²	44	38.5 Å²	38.5	24%	0.235	20%	0.196	C	C	.	.			trans	-116.3	93.6	175.1	-177.2	1.5	0	0	0	111	R446 P453 N510 W511	R446-N508 HydrophobicContact CG-CB 4.47Å; P453-N508 HydrophobicContact CB-CB 3.86Å; P453-N508 HydrophobicContact CG-CB 3.8Å; N508-N510 VanDerWaalsContact C-N 3.27Å; N508-N510 PolarHBondContact O-N 2.85Å; N508-N510 PolarHBondContact OD1-N 2.89Å; N508-W511 HydrophobicContact CB-CB 4.02Å; N508-W511 WeakPolarHBondContact ND2-CB 3.28Å; N508-W511 PolarHBondContact O-N 3.11Å; N508-W511 PolarHBondContact OD1-N 3.11Å
509	P	91.2	Very high	86.6	Confident	4 Å²	4	37.7 Å²	37.7	3%	0.026	18%	0.179	C	C	.	.	H	α-helix	trans	-56.7	-34.9	177.5	-29.2	36.7	0	0	0	114.5	V225 W280 E489 V491 L507 L512 C513	V225-P509 HydrophobicContact CG1-CB 4.04Å; W280-P509 HydrophobicContact CH2-CB 3.93Å; W280-P509 HydrophobicContact CZ2-CB 4.25Å; E489-P509 VanDerWaalsContact O-CD 3.31Å; E489-P509 WeakPolarHBondContact O-CD 3.18Å; V491-P509 HydrophobicContact CG2-CB 3.99Å; V491-P509 HydrophobicContact CG2-CG 4.11Å; L507-P509 WeakPolarHBondContact O-CD 3.47Å; P509-L512 PolarHBondContact O-N 3.39Å; P509-C513 VanDerWaalsContact O-CB 3.31Å; P509-C513 WeakPolarHBondContact O-CB 3.28Å; P509-C513 PolarHBondContact O-N 2.99Å; P509-C513 PolarHBondContact O-SG 3.45Å
510	N	87.3	Confident	88.1	Confident	34 Å²	34	29.5 Å²	29.5	18%	0.182	15%	0.147	C	C	.	.	H	α-helix	trans	-71.1	-35.5	-177.9	-172.5	81.5	0	0	0	112.3	V225 N508 L512 C513 H514	V225-N510 PolarHBondContact O-OD1 2.85Å; N508-N510 VanDerWaalsContact C-N 3.27Å; N508-N510 PolarHBondContact O-N 2.85Å; N508-N510 PolarHBondContact OD1-N 2.89Å; N510-L512 PolarHBondContact O-N 3.49Å; N510-C513 PolarHBondContact O-N 3.05Å; N510-H514 VanDerWaalsContact O-CB 3.27Å; N510-H514 WeakPolarHBondContact O-CB 3.49Å; N510-H514 PolarHBondContact O-N 2.96Å
511	W	91.4	Very high	89.6	Confident	7 Å²	7	25.4 Å²	25.4	3%	0.027	12%	0.121	C	C	.	.	I	π-helix	trans	-57.2	-50.4	173.5	166.2	89.3	0	0	0	110.6	L452 P453 V454 V506 N508 E515 I516 F553 L556	L452-W511 HydrophobicContact CD1-CH2 3.57Å; L452-W511 HydrophobicContact CD1-CZ2 3.91Å; P453-W511 HydrophobicContact CG-CB 4.05Å; P453-W511 HydrophobicContact CG-CD2 3.54Å; P453-W511 HydrophobicContact CG-CE3 3.74Å; P453-W511 HydrophobicContact CG-CG 3.67Å; P453-W511 HydrophobicContact CG-CZ3 4.46Å; V454-W511 HydrophobicContact CG2-CE3 4.25Å; V454-W511 HydrophobicContact CG2-CH2 3.95Å; V454-W511 HydrophobicContact CG2-CZ3 3.48Å; V454-W511 VanDerWaalsContact CG2-CZ3 3.48Å; V506-W511 HydrophobicContact CG1-CE3 4.44Å; N508-W511 HydrophobicContact CB-CB 4.02Å; N508-W511 WeakPolarHBondContact ND2-CB 3.28Å; N508-W511 PolarHBondContact O-N 3.11Å; N508-W511 PolarHBondContact OD1-N 3.11Å; W511-E515 WeakPolarHBondContact O-CA 3.26Å; W511-E515 WeakPolarHBondContact O-CB 3.42Å; W511-E515 PolarHBondContact O-N 3.49Å; W511-I516 HydrophobicContact CD2-CG1 4.09Å; W511-I516 HydrophobicContact CE3-CG1 4.43Å; W511-I516 HydrophobicContact CH2-CG1 4.13Å; W511-I516 HydrophobicContact CZ2-CD1 3.9Å; W511-I516 HydrophobicContact CZ2-CG1 3.79Å; W511-I516 HydrophobicContact CZ3-CG1 4.44Å; W511-I516 PolarHBondContact O-N 2.86Å; W511-F553 HydrophobicContact CH2-CD2 4.07Å; W511-F553 HydrophobicContact CH2-CE2 4.08Å; W511-F553 HydrophobicContact CZ2-CD2 4.26Å; W511-F553 HydrophobicContact CZ2-CE2 4.1Å; W511-L556 HydrophobicContact CH2-CD2 3.85Å; W511-L556 HydrophobicContact CZ3-CD2 3.82Å
512	L	92.1	Very high	90.5	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	10%	0.095	C	C	.	.	I	π-helix	trans	-64.6	-49.7	177.6	178	61	0	0	0	111.9	F295 V493 V506 P509 N510 I516 I517 V560	F295-L512 HydrophobicContact CE1-CD2 4.31Å; F295-L512 HydrophobicContact CZ-CD2 4.25Å; V493-L512 HydrophobicContact CG2-CD2 4.41Å; V506-L512 HydrophobicContact CG1-CB 3.97Å; V506-L512 HydrophobicContact CG1-CD2 4.25Å; V506-L512 HydrophobicContact CG2-CD2 4.03Å; P509-L512 PolarHBondContact O-N 3.39Å; N510-L512 PolarHBondContact O-N 3.49Å; L512-I516 HydrophobicContact CD1-CB 4.39Å; L512-I516 HydrophobicContact CD1-CG2 4.49Å; L512-I517 HydrophobicContact CD1-CD1 3.83Å; L512-I517 HydrophobicContact CD1-CG1 4.03Å; L512-I517 HydrophobicContact CD2-CD1 4.44Å; L512-I517 HydrophobicContact CG-CD1 3.77Å; L512-I517 HydrophobicContact CG-CG1 4.4Å; L512-I517 VanDerWaalsContact O-CB 3.31Å; L512-I517 WeakPolarHBondContact O-CB 3.47Å; L512-I517 VanDerWaalsContact O-CG1 3.31Å; L512-I517 WeakPolarHBondContact O-CG1 3.09Å; L512-I517 PolarHBondContact O-N 3.26Å; L512-V560 HydrophobicContact CD1-CG2 4.28Å; L512-V560 HydrophobicContact CD2-CG2 3.98Å
513	C	90.4	Very high	90.7	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	10%	0.102	C	C	.	.	I	π-helix	trans	-73.1	-34	-171.7	-68	0	0	0	0	114.4	I223 V225 P509 N510 G518	I223-C513 HydrophobicContact CB-CB 4.12Å; I223-C513 WeakPolarHBondContact O-CB 3.16Å; V225-C513 HydrophobicContact CG2-CB 3.9Å; P509-C513 VanDerWaalsContact O-CB 3.31Å; P509-C513 WeakPolarHBondContact O-CB 3.28Å; P509-C513 PolarHBondContact O-N 2.99Å; P509-C513 PolarHBondContact O-SG 3.45Å; N510-C513 PolarHBondContact O-N 3.05Å; C513-G518 PolarHBondContact O-N 3.3Å; C513-G518 VanDerWaalsContact O-N 3.16Å
514	H	84.7	Confident	90.5	Very high	57 Å²	57	27.6 Å²	27.6	26%	0.264	13%	0.125	S	C	.	.	I	π-helix	trans	-107.2	-51.3	-175.4	-174.2	87.4	0	0	0	112.7	T220 N510 G518 R519	T220-H514 PolarHBondContact OG1-CE1 3.49Å; N510-H514 VanDerWaalsContact O-CB 3.27Å; N510-H514 WeakPolarHBondContact O-CB 3.49Å; N510-H514 PolarHBondContact O-N 2.96Å; H514-G518 CarbonylContact O-C 3.56Å; H514-G518 VanDerWaalsContact O-CA 3.28Å; H514-G518 WeakPolarHBondContact O-CA 3.31Å; H514-G518 PolarHBondContact O-N 3.38Å; H514-R519 PolarHBondContact O-N 2.68Å
515	E	88.4	Confident	90.4	Very high	80 Å²	80	28.9 Å²	28.9	37%	0.374	13%	0.131	S	C	.	.	I	π-helix	trans	-78.7	-33.5	-171.1	-59.3	163.1	-133.9	0	0	111.9	W511 R519	W511-E515 WeakPolarHBondContact O-CA 3.26Å; W511-E515 WeakPolarHBondContact O-CB 3.42Å; W511-E515 PolarHBondContact O-N 3.49Å; E515-R519 WeakPolarHBondContact O-CB 3.45Å
516	I	92.7	Very high	90.1	Very high	3 Å²	3	30 Å²	30	2%	0.015	14%	0.137	C	C	.	.	I	π-helix	trans	-95.5	-73.6	176.4	-51.5	-55.2	0	0	0	111.6	W511 L512 G518 R519 L520 F544 F553 L557	W511-I516 HydrophobicContact CD2-CG1 4.09Å; W511-I516 HydrophobicContact CE3-CG1 4.43Å; W511-I516 HydrophobicContact CH2-CG1 4.13Å; W511-I516 HydrophobicContact CZ2-CD1 3.9Å; W511-I516 HydrophobicContact CZ2-CG1 3.79Å; W511-I516 HydrophobicContact CZ3-CG1 4.44Å; W511-I516 PolarHBondContact O-N 2.86Å; L512-I516 HydrophobicContact CD1-CB 4.39Å; L512-I516 HydrophobicContact CD1-CG2 4.49Å; I516-G518 PolarHBondContact O-N 2.95Å; I516-R519 PolarHBondContact O-N 2.95Å; I516-L520 HydrophobicContact CG2-CD1 4.09Å; I516-L520 WeakPolarHBondContact O-CG 3.46Å; I516-L520 PolarHBondContact O-N 3.3Å; I516-F544 HydrophobicContact CD1-CD1 3.53Å; I516-F544 HydrophobicContact CD1-CE1 3.65Å; I516-F544 HydrophobicContact CD1-CG 4.38Å; I516-F544 HydrophobicContact CG2-CE1 4.47Å; I516-F544 HydrophobicContact CG2-CZ 4.48Å; I516-F553 HydrophobicContact CD1-CE2 3.82Å; I516-F553 HydrophobicContact CD1-CZ 3.98Å; I516-F553 HydrophobicContact CG1-CE2 4.08Å; I516-F553 HydrophobicContact CG2-CE2 3.93Å; I516-F553 HydrophobicContact CG2-CZ 3.86Å; I516-L557 HydrophobicContact CG2-CD2 3.76Å
517	I	91.9	Very high	89.8	Confident	1 Å²	1	38.4 Å²	38.4	1%	0.005	17%	0.168	C	C	.	.	H	α-helix	trans	-62	-44.6	-174.6	-68	170.4	0	0	0	111	Y288 L291 F295 L512 R519 L520 L521 V560 L562	Y288-I517 HydrophobicContact CD1-CG2 3.93Å; Y288-I517 HydrophobicContact CE1-CG2 3.89Å; L291-I517 HydrophobicContact CD1-CG2 3.88Å; F295-I517 HydrophobicContact CE2-CD1 3.9Å; F295-I517 HydrophobicContact CZ-CD1 3.59Å; L512-I517 HydrophobicContact CD1-CD1 3.83Å; L512-I517 HydrophobicContact CD1-CG1 4.03Å; L512-I517 HydrophobicContact CD2-CD1 4.44Å; L512-I517 HydrophobicContact CG-CD1 3.77Å; L512-I517 HydrophobicContact CG-CG1 4.4Å; L512-I517 VanDerWaalsContact O-CB 3.31Å; L512-I517 WeakPolarHBondContact O-CB 3.47Å; L512-I517 VanDerWaalsContact O-CG1 3.31Å; L512-I517 WeakPolarHBondContact O-CG1 3.09Å; L512-I517 PolarHBondContact O-N 3.26Å; I517-R519 PolarHBondContact O-N 3.27Å; I517-L520 PolarHBondContact O-N 2.86Å; I517-L521 HydrophobicContact CG2-CD1 4.25Å; I517-L521 PolarHBondContact O-N 2.98Å; I517-V560 HydrophobicContact CD1-CG1 4.03Å; I517-L562 HydrophobicContact CG1-CD1 4.21Å
518	G	88.7	Confident	89.6	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-61.6	-28.7	178.1	0	0	0	0	0	114.5	T220 Y288 C513 H514 I516 S522	T220-G518 CarbonylContact O-C 3.04Å; T220-G518 VanDerWaalsContact O-C 3.23Å; T220-G518 WeakPolarHBondContact O-CA 2.96Å; T220-G518 VanDerWaalsContact O-O 3.12Å; Y288-G518 WeakPolarHBondContact OH-CA 3.44Å; Y288-G518 PolarHBondContact OH-O 3.03Å; Y288-G518 VanDerWaalsContact OH-O 3.1Å; C513-G518 PolarHBondContact O-N 3.3Å; C513-G518 VanDerWaalsContact O-N 3.16Å; H514-G518 CarbonylContact O-C 3.56Å; H514-G518 VanDerWaalsContact O-CA 3.28Å; H514-G518 WeakPolarHBondContact O-CA 3.31Å; H514-G518 PolarHBondContact O-N 3.38Å; I516-G518 PolarHBondContact O-N 2.95Å; G518-S522 WeakPolarHBondContact O-CB 3.33Å; G518-S522 PolarHBondContact O-N 3.25Å
519	R	91	Very high	89.6	Confident	104 Å²	104	42.8 Å²	42.8	39%	0.392	19%	0.193	S	C	.	.	H	α-helix	trans	-79.7	-50.4	172.9	-174.1	171	173.4	-156.4	-10.8	111.8	H514 E515 I516 I517 L521 S522 F525 L543	H514-R519 PolarHBondContact O-N 2.68Å; E515-R519 WeakPolarHBondContact O-CB 3.45Å; I516-R519 PolarHBondContact O-N 2.95Å; I517-R519 PolarHBondContact O-N 3.27Å; R519-L521 VanDerWaalsContact C-N 3.3Å; R519-L521 PolarHBondContact O-N 3.5Å; R519-S522 WeakPolarHBondContact O-CB 3.3Å; R519-S522 PolarHBondContact O-N 2.87Å; R519-S522 PolarHBondContact O-OG 3.48Å; R519-F525 VanDerWaalsContact O-CB 3.26Å; R519-F525 WeakPolarHBondContact O-CB 3.33Å; R519-L543 PolarHBondContact NH1-O 3.28Å; R519-L543 PolarHBondContact NH2-O 3.03Å
520	L	92.2	Very high	89.6	Confident	0 Å²	0	47.7 Å²	47.7	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-58	-38.2	-178.5	-73.5	172.6	0	0	0	113.4	I516 I517 F525 F544 L562 F576 M579	I516-L520 HydrophobicContact CG2-CD1 4.09Å; I516-L520 WeakPolarHBondContact O-CG 3.46Å; I516-L520 PolarHBondContact O-N 3.3Å; I517-L520 PolarHBondContact O-N 2.86Å; L520-F525 HydrophobicContact CD2-CE1 4.2Å; L520-F525 HydrophobicContact CD2-CZ 4.41Å; L520-F525 WeakPolarHBondContact O-CD1 3.24Å; L520-F544 HydrophobicContact CD1-CZ 4.41Å; L520-F544 HydrophobicContact CD2-CE2 3.92Å; L520-F544 HydrophobicContact CD2-CZ 3.83Å; L520-F544 HydrophobicContact CG-CE2 4.38Å; L520-F544 HydrophobicContact CG-CZ 3.88Å; L520-L562 HydrophobicContact CD1-CD1 3.94Å; L520-L562 HydrophobicContact CD1-CD2 4.34Å; L520-F576 HydrophobicContact CD1-CE1 3.72Å; L520-F576 HydrophobicContact CD1-CZ 4.21Å; L520-F576 HydrophobicContact CD2-CE1 4.13Å; L520-F576 HydrophobicContact CD2-CZ 3.99Å; L520-M579 HydrophobicContact CB-CE 3.93Å; L520-M579 HydrophobicContact CD2-CE 4.09Å; L520-M579 VanDerWaalsContact O-CE 3.29Å; L520-M579 WeakPolarHBondContact O-CE 3.18Å
521	L	90.5	Very high	89.7	Confident	2 Å²	2	50.3 Å²	50.3	1%	0.01	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.3	14.3	-176.7	-60.9	178.1	0	0	0	113.1	T287 Y288 F290 L291 I517 R519 L526 L562 M579	T287-L521 PolarHBondContact OG1-O 3.44Å; Y288-L521 HydrophobicContact CD1-CB 3.91Å; Y288-L521 HydrophobicContact CD1-CD1 3.72Å; Y288-L521 HydrophobicContact CD1-CG 4.46Å; Y288-L521 HydrophobicContact CE1-CB 3.41Å; Y288-L521 VanDerWaalsContact CE1-CB 3.41Å; Y288-L521 HydrophobicContact CE1-CD1 4.01Å; Y288-L521 HydrophobicContact CE1-CG 4.28Å; Y288-L521 HydrophobicContact CE2-CB 4.21Å; Y288-L521 HydrophobicContact CG-CB 4.47Å; Y288-L521 HydrophobicContact CG-CD1 4.35Å; Y288-L521 PolarHBondContact OH-O 2.94Å; F290-L521 HydrophobicContact CE1-CD1 3.93Å; F290-L521 HydrophobicContact CE1-CD2 4.36Å; F290-L521 HydrophobicContact CZ-CD1 4.39Å; L291-L521 HydrophobicContact CD1-CD1 3.58Å; I517-L521 HydrophobicContact CG2-CD1 4.25Å; I517-L521 PolarHBondContact O-N 2.98Å; R519-L521 VanDerWaalsContact C-N 3.3Å; R519-L521 PolarHBondContact O-N 3.5Å; L521-L526 HydrophobicContact CB-CD1 4.49Å; L521-L526 HydrophobicContact CD2-CD1 4.4Å; L521-L526 HydrophobicContact CD2-CD2 4.32Å; L521-L562 HydrophobicContact CD1-CD2 4.36Å; L521-M579 HydrophobicContact CD2-CE 4.34Å
522	S	86.7	Confident	89.7	Confident	11 Å²	11	52.8 Å²	52.8	8%	0.077	25%	0.246	C	C	.	.	S	Bend	trans	-66	150.4	169.6	68.9	0	0	0	0	111.5	G518 R519 E524 F525 L526	G518-S522 WeakPolarHBondContact O-CB 3.33Å; G518-S522 PolarHBondContact O-N 3.25Å; R519-S522 WeakPolarHBondContact O-CB 3.3Å; R519-S522 PolarHBondContact O-N 2.87Å; R519-S522 PolarHBondContact O-OG 3.48Å; S522-E524 VanDerWaalsContact C-N 3.28Å; S522-E524 PolarHBondContact O-N 3.15Å; S522-F525 PolarHBondContact O-N 2.94Å; S522-F525 VanDerWaalsContact OG-CB 3.29Å; S522-F525 WeakPolarHBondContact OG-CB 3.31Å; S522-F525 PolarHBondContact OG-N 2.88Å; S522-L526 WeakPolarHBondContact O-CB 3.13Å; S522-L526 WeakPolarHBondContact O-CG 3.43Å; S522-L526 PolarHBondContact O-N 2.93Å
523	Y	82.9	Confident	89.8	Confident	89 Å²	89	52.8 Å²	52.8	35%	0.349	25%	0.246	S	C	.	.	H	α-helix	trans	-58.5	-39.1	175.6	172.6	-101.3	0	0	0	112.6	V211 R527	V211-Y523 HydrophobicContact CG1-CE2 3.84Å; Y523-R527 WeakPolarHBondContact O-CB 3.45Å; Y523-R527 PolarHBondContact O-N 2.89Å
524	E	86.2	Confident	90	Very high	134 Å²	134	55.6 Å²	55.6	63%	0.626	26%	0.26	S	S	*	.	H	α-helix	trans	-66.3	-41.1	179.9	-176.2	175.4	-164.6	0	0	112.2	S522 N528	S522-E524 VanDerWaalsContact C-N 3.28Å; S522-E524 PolarHBondContact O-N 3.15Å; E524-N528 PolarHBondContact O-ND2 3.35Å
525	F	90.5	Very high	90.5	Very high	33 Å²	33	53.6 Å²	53.6	15%	0.145	25%	0.25	C	S	.	.	H	α-helix	trans	-69.8	-50.5	175.6	-169.1	-94.9	0	0	0	111.5	R519 L520 S522 R527 N528 C529 Y535 L543 M579	R519-F525 VanDerWaalsContact O-CB 3.26Å; R519-F525 WeakPolarHBondContact O-CB 3.33Å; L520-F525 HydrophobicContact CD2-CE1 4.2Å; L520-F525 HydrophobicContact CD2-CZ 4.41Å; L520-F525 WeakPolarHBondContact O-CD1 3.24Å; S522-F525 PolarHBondContact O-N 2.94Å; S522-F525 VanDerWaalsContact OG-CB 3.29Å; S522-F525 WeakPolarHBondContact OG-CB 3.31Å; S522-F525 PolarHBondContact OG-N 2.88Å; F525-R527 PolarHBondContact O-N 3.26Å; F525-N528 CarbonylContact O-C 3.53Å; F525-N528 PolarHBondContact O-N 3.31Å; F525-C529 HydrophobicContact CD1-CB 4.19Å; F525-C529 HydrophobicContact CE1-CB 3.95Å; F525-C529 WeakPolarHBondContact O-CB 3.23Å; F525-C529 PolarHBondContact O-N 3.03Å; F525-Y535 HydrophobicContact CZ-CE1 4.43Å; F525-L543 HydrophobicContact CE2-CD1 3.88Å; F525-L543 HydrophobicContact CE2-CD2 3.65Å; F525-L543 HydrophobicContact CE2-CG 4.41Å; F525-L543 HydrophobicContact CZ-CD1 3.63Å; F525-L543 HydrophobicContact CZ-CD2 4.24Å; F525-M579 HydrophobicContact CD1-CE 4.11Å; F525-M579 HydrophobicContact CD1-SD 4.3Å; F525-M579 HydrophobicContact CE1-CE 3.81Å; F525-M579 HydrophobicContact CE1-SD 3.69Å
526	L	89.9	Confident	90.7	Very high	27 Å²	27	52 Å²	52	14%	0.141	25%	0.246	C	C	.	.	H	α-helix	trans	-65.4	-19.6	-178.2	-67.3	175.8	0	0	0	113.9	T287 L521 S522 C529 M579	T287-L526 HydrophobicContact CG2-CD1 3.58Å; L521-L526 HydrophobicContact CB-CD1 4.49Å; L521-L526 HydrophobicContact CD2-CD1 4.4Å; L521-L526 HydrophobicContact CD2-CD2 4.32Å; S522-L526 WeakPolarHBondContact O-CB 3.13Å; S522-L526 WeakPolarHBondContact O-CG 3.43Å; S522-L526 PolarHBondContact O-N 2.93Å; L526-C529 PolarHBondContact O-SG 3.48Å; L526-M579 HydrophobicContact CD2-CE 4.17Å; L526-M579 HydrophobicContact CD2-CG 3.79Å; L526-M579 HydrophobicContact CD2-SD 4.33Å
527	R	88.8	Confident	90.6	Very high	177 Å²	177	53.9 Å²	53.9	67%	0.668	26%	0.258	S	S	*	.	H	α-helix	trans	-73.1	-29.1	171.1	178.7	176.5	176.1	-164.3	-1.2	113	Y523 F525	Y523-R527 WeakPolarHBondContact O-CB 3.45Å; Y523-R527 PolarHBondContact O-N 2.89Å; F525-R527 PolarHBondContact O-N 3.26Å
528	N	90.7	Very high	90.6	Very high	120 Å²	120	58.6 Å²	58.6	64%	0.642	28%	0.283	S	S	*	.	H	α-helix	trans	-118.8	1.5	-170	-59.5	-62.6	0	0	0	113.3	E524 F525	E524-N528 PolarHBondContact O-ND2 3.35Å; F525-N528 CarbonylContact O-C 3.53Å; F525-N528 PolarHBondContact O-N 3.31Å
529	C	93.2	Very high	90.8	Very high	15 Å²	15	60.5 Å²	60.5	10%	0.101	29%	0.292	C	S	.	.	S	Bend	trans	-66.7	158.2	179.9	64	0	0	0	0	112.1	F525 L526 Y535 M579	F525-C529 HydrophobicContact CD1-CB 4.19Å; F525-C529 HydrophobicContact CE1-CB 3.95Å; F525-C529 WeakPolarHBondContact O-CB 3.23Å; F525-C529 PolarHBondContact O-N 3.03Å; L526-C529 PolarHBondContact O-SG 3.48Å; C529-Y535 VanDerWaalsContact CA-OH 3.31Å; C529-Y535 WeakPolarHBondContact CA-OH 3.25Å; C529-Y535 WeakPolarHBondContact CB-OH 3.39Å; C529-M579 HydrophobicContact CB-SD 4.33Å
530	R	92.3	Very high	90.9	Very high	108 Å²	108	55.7 Å²	55.7	41%	0.408	27%	0.274	S	S	.	.			trans	-61	129.5	173.8	-78.3	-170.4	163.7	168.3	8.8	111.2	T532 G533 I534 Y535 E539	R530-T532 PolarHBondContact O-N 3.27Å; R530-T532 VanDerWaalsContact O-N 3.1Å; R530-G533 PolarHBondContact O-N 2.88Å; R530-I534 WeakPolarHBondContact CD-O 3.5Å; R530-Y535 HydrophobicContact CB-CE1 4.4Å; R530-Y535 HydrophobicContact CG-CE1 4.16Å; R530-Y535 PolarHBondContact N-OH 3.33Å; R530-E539 IonicContact CZ-OE1 3.06Å; R530-E539 IonicContact CZ-OE2 2.68Å; R530-E539 IonicContact NH1-OE1 3.74Å; R530-E539 PolarHBondContact NH1-OE1 3.03Å; R530-E539 IonicContact NH1-OE2 3.29Å; R530-E539 PolarHBondContact NH1-OE2 2.97Å; R530-E539 IonicContact NH2-OE1 2.65Å; R530-E539 PolarHBondContact NH2-OE1 2.97Å; R530-E539 IonicContact NH2-OE2 3.68Å
531	P	89.5	Confident	90.9	Very high	88 Å²	88	58.9 Å²	58.9	57%	0.571	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-20.4	179.3	-26.8	35.5	0	0	0	115.1	N580 F581 S582	P531-N580 CarbonylContact O-C 3.57Å; P531-F581 CarbonylContact O-C 3.47Å; P531-F581 WeakPolarHBondContact O-CA 3.48Å; P531-F581 PolarHBondContact O-N 3.37Å; P531-S582 PolarHBondContact O-N 3.05Å; P531-S582 PolarHBondContact O-OG 2.82Å
532	T	90.9	Very high	91	Very high	60 Å²	60	65.7 Å²	65.7	37%	0.368	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-17.8	174	52.5	0	0	0	0	113.4	R530 I534	R530-T532 PolarHBondContact O-N 3.27Å; R530-T532 VanDerWaalsContact O-N 3.1Å; T532-I534 PolarHBondContact O-N 2.74Å; T532-I534 PolarHBondContact OG1-N 2.85Å
533	G	93.4	Very high	91.2	Very high	0 Å²	0	66.6 Å²	66.6	0%	0	33%	0.326	C	S	.	.			trans	71.5	-1.6	-167.2	0	0	0	0	0	115.1	R530 Y535 E575 F576 M579	R530-G533 PolarHBondContact O-N 2.88Å; G533-Y535 WeakPolarHBondContact O-CD2 3.42Å; G533-E575 WeakPolarHBondContact O-CA 3.41Å; G533-F576 PolarHBondContact O-N 2.96Å; G533-M579 PolarHBondContact N-O 3.25Å
534	I	94.2	Very high	91.8	Very high	59 Å²	59	62.7 Å²	62.7	30%	0.303	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	129.3	-174	-55.2	172.1	0	0	0	111.4	R530 T532 I566 A573 F574 E575	R530-I534 WeakPolarHBondContact CD-O 3.5Å; T532-I534 PolarHBondContact O-N 2.74Å; T532-I534 PolarHBondContact OG1-N 2.85Å; I534-I566 HydrophobicContact CD1-CD1 4.38Å; I534-I566 HydrophobicContact CG1-CD1 4.49Å; I534-A573 HydrophobicContact CG2-CB 4.12Å; I534-F574 WeakPolarHBondContact CA-O 3.4Å; I534-E575 HydrophobicContact CG1-CB 3.98Å; I534-E575 HydrophobicContact CG1-CG 3.9Å
535	Y	95	Very high	92	Very high	15 Å²	15	60.9 Å²	60.9	6%	0.059	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	141.1	175.4	-61.6	-96.3	0	0	0	110.8	F525 C529 R530 G533 E539 L543 A573 F574 F576 M579	F525-Y535 HydrophobicContact CZ-CE1 4.43Å; C529-Y535 VanDerWaalsContact CA-OH 3.31Å; C529-Y535 WeakPolarHBondContact CA-OH 3.25Å; C529-Y535 WeakPolarHBondContact CB-OH 3.39Å; R530-Y535 HydrophobicContact CB-CE1 4.4Å; R530-Y535 HydrophobicContact CG-CE1 4.16Å; R530-Y535 PolarHBondContact N-OH 3.33Å; G533-Y535 WeakPolarHBondContact O-CD2 3.42Å; Y535-E539 VanDerWaalsContact CA-OE2 3.28Å; Y535-E539 WeakPolarHBondContact CA-OE2 3.24Å; Y535-E539 HydrophobicContact CD1-CB 4.26Å; Y535-L543 HydrophobicContact CD1-CD1 4.27Å; Y535-L543 HydrophobicContact CE1-CD1 4.26Å; Y535-A573 CarbonylContact O-C 3.57Å; Y535-A573 VanDerWaalsContact O-CA 3.26Å; Y535-A573 WeakPolarHBondContact O-CA 3.27Å; Y535-A573 VanDerWaalsContact O-CB 3.3Å; Y535-A573 WeakPolarHBondContact O-CB 3.49Å; Y535-F574 PolarHBondContact N-O 2.94Å; Y535-F574 PolarHBondContact O-N 2.81Å; Y535-F576 AromaticContact CD2-CD2 3.62Å; Y535-F576 HydrophobicContact CD2-CD2 3.62Å; Y535-F576 AromaticContact CD2-CE2 3.75Å; Y535-F576 HydrophobicContact CD2-CE2 3.75Å; Y535-F576 AromaticContact CE2-CD2 3.78Å; Y535-F576 HydrophobicContact CE2-CD2 3.78Å; Y535-F576 HydrophobicContact CE2-CE2 4.16Å; Y535-M579 HydrophobicContact CE2-SD 4.3Å
536	T	93.2	Very high	92	Very high	47 Å²	47	64.1 Å²	64.1	29%	0.288	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	163.7	172.9	70.3	0	0	0	0	111.6	D538 E539 I540	T536-D538 VanDerWaalsContact C-N 3.26Å; T536-D538 PolarHBondContact O-N 3.3Å; T536-E539 PolarHBondContact N-OE2 3.47Å; T536-E539 PolarHBondContact O-N 3.18Å; T536-E539 WeakPolarHBondContact OG1-CG 3.43Å; T536-E539 PolarHBondContact OG1-N 2.99Å; T536-I540 WeakPolarHBondContact O-CG1 3.43Å; T536-I540 PolarHBondContact O-N 3.34Å
537	T	90.7	Very high	92	Very high	42 Å²	42	63.1 Å²	63.1	26%	0.258	33%	0.328	S	S	.	.	H	α-helix	trans	-49.7	-43.6	172.6	-65.5	0	0	0	0	112.9	E539 I540 L541 I550 D572	T537-E539 PolarHBondContact O-N 2.86Å; T537-I540 PolarHBondContact O-N 3.16Å; T537-L541 PolarHBondContact O-N 3.29Å; T537-I550 HydrophobicContact CG2-CB 4.14Å; T537-I550 HydrophobicContact CG2-CD1 3.7Å; T537-I550 HydrophobicContact CG2-CG2 3.89Å; T537-D572 PolarHBondContact N-O 3.41Å; T537-D572 VanDerWaalsContact N-O 3.1Å; T537-D572 PolarHBondContact OG1-O 2.61Å
538	D	91.2	Very high	91.9	Very high	99 Å²	99	59.1 Å²	59.1	53%	0.529	33%	0.327	S	S	.	.	H	α-helix	trans	-66.1	-34.6	177	-68.7	-42.9	0	0	0	113.4	T536 L541 Q542	T536-D538 VanDerWaalsContact C-N 3.26Å; T536-D538 PolarHBondContact O-N 3.3Å; D538-L541 PolarHBondContact O-N 2.98Å; D538-Q542 WeakPolarHBondContact O-CG 3.4Å; D538-Q542 PolarHBondContact O-N 3.44Å; D538-Q542 PolarHBondContact O-NE2 3.22Å
539	E	93.6	Very high	91.9	Very high	40 Å²	40	56.6 Å²	56.6	19%	0.187	31%	0.314	C	S	.	.	H	α-helix	trans	-73.4	-37.6	178.5	-68.4	163.3	173.9	0	0	110.6	R530 Y535 T536 T537 L541 Q542 L543	R530-E539 IonicContact CZ-OE1 3.06Å; R530-E539 IonicContact CZ-OE2 2.68Å; R530-E539 IonicContact NH1-OE1 3.74Å; R530-E539 PolarHBondContact NH1-OE1 3.03Å; R530-E539 IonicContact NH1-OE2 3.29Å; R530-E539 PolarHBondContact NH1-OE2 2.97Å; R530-E539 IonicContact NH2-OE1 2.65Å; R530-E539 PolarHBondContact NH2-OE1 2.97Å; R530-E539 IonicContact NH2-OE2 3.68Å; Y535-E539 VanDerWaalsContact CA-OE2 3.28Å; Y535-E539 WeakPolarHBondContact CA-OE2 3.24Å; Y535-E539 HydrophobicContact CD1-CB 4.26Å; T536-E539 PolarHBondContact N-OE2 3.47Å; T536-E539 PolarHBondContact O-N 3.18Å; T536-E539 WeakPolarHBondContact OG1-CG 3.43Å; T536-E539 PolarHBondContact OG1-N 2.99Å; T537-E539 PolarHBondContact O-N 2.86Å; E539-L541 VanDerWaalsContact C-N 3.3Å; E539-L541 PolarHBondContact O-N 3.2Å; E539-Q542 WeakPolarHBondContact O-CB 3.44Å; E539-Q542 PolarHBondContact O-N 3.11Å; E539-L543 WeakPolarHBondContact O-CG 3.36Å; E539-L543 PolarHBondContact O-N 3.02Å
540	I	92.9	Very high	91.8	Very high	3 Å²	3	57.2 Å²	57.2	2%	0.015	32%	0.316	C	S	.	.	H	α-helix	trans	-61.9	-39.2	171.7	-61.7	163.1	0	0	0	110.4	T536 T537 L543 F544 I550 F553 F574	T536-I540 WeakPolarHBondContact O-CG1 3.43Å; T536-I540 PolarHBondContact O-N 3.34Å; T537-I540 PolarHBondContact O-N 3.16Å; I540-L543 PolarHBondContact O-N 2.94Å; I540-F544 HydrophobicContact CG2-CD2 4.44Å; I540-F544 PolarHBondContact O-N 3.39Å; I540-I550 HydrophobicContact CB-CG2 4.13Å; I540-I550 HydrophobicContact CG2-CG2 3.85Å; I540-F553 HydrophobicContact CG2-CD1 4Å; I540-F553 HydrophobicContact CG2-CE1 3.84Å; I540-F574 HydrophobicContact CD1-CB 3.54Å
541	L	91.7	Very high	91.7	Very high	68 Å²	68	55.4 Å²	55.4	36%	0.356	32%	0.317	S	S	.	.	H	α-helix	trans	-64.5	-40.1	173.3	-177.1	62.3	0	0	0	112.4	T537 D538 E539 L543 F544 P545 I550	T537-L541 PolarHBondContact O-N 3.29Å; D538-L541 PolarHBondContact O-N 2.98Å; E539-L541 VanDerWaalsContact C-N 3.3Å; E539-L541 PolarHBondContact O-N 3.2Å; L541-L543 VanDerWaalsContact C-N 3.28Å; L541-L543 PolarHBondContact O-N 3.49Å; L541-F544 CarbonylContact O-C 3.51Å; L541-F544 PolarHBondContact O-N 3.35Å; L541-P545 WeakPolarHBondContact O-CA 3.49Å; L541-P545 WeakPolarHBondContact O-CD 3.41Å; L541-I550 HydrophobicContact CB-CD1 3.8Å; L541-I550 HydrophobicContact CB-CG1 4.4Å; L541-I550 HydrophobicContact CD1-CD1 4.13Å; L541-I550 HydrophobicContact CD1-CG1 4.3Å; L541-I550 HydrophobicContact CD2-CD1 4.18Å; L541-I550 HydrophobicContact CG-CD1 4.24Å
542	Q	92.7	Very high	91.7	Very high	145 Å²	145	52.6 Å²	52.6	68%	0.678	30%	0.296	S	S	*	.	H	α-helix	trans	-64.5	-33.1	174	-71.9	167.1	54.7	0	0	112.3	D538 E539	D538-Q542 WeakPolarHBondContact O-CG 3.4Å; D538-Q542 PolarHBondContact O-N 3.44Å; D538-Q542 PolarHBondContact O-NE2 3.22Å; E539-Q542 WeakPolarHBondContact O-CB 3.44Å; E539-Q542 PolarHBondContact O-N 3.11Å
543	L	92.2	Very high	91.9	Very high	30 Å²	30	49.8 Å²	49.8	16%	0.157	28%	0.279	C	S	.	.	H	α-helix	trans	-69.5	-47	171	-63.7	-175.8	0	0	0	111.3	R519 F525 Y535 E539 I540 L541 P545	R519-L543 PolarHBondContact NH1-O 3.28Å; R519-L543 PolarHBondContact NH2-O 3.03Å; F525-L543 HydrophobicContact CE2-CD1 3.88Å; F525-L543 HydrophobicContact CE2-CD2 3.65Å; F525-L543 HydrophobicContact CE2-CG 4.41Å; F525-L543 HydrophobicContact CZ-CD1 3.63Å; F525-L543 HydrophobicContact CZ-CD2 4.24Å; Y535-L543 HydrophobicContact CD1-CD1 4.27Å; Y535-L543 HydrophobicContact CE1-CD1 4.26Å; E539-L543 WeakPolarHBondContact O-CG 3.36Å; E539-L543 PolarHBondContact O-N 3.02Å; I540-L543 PolarHBondContact O-N 2.94Å; L541-L543 VanDerWaalsContact C-N 3.28Å; L541-L543 PolarHBondContact O-N 3.49Å; L543-P545 VanDerWaalsContact C-CD 3.41Å; L543-P545 VanDerWaalsContact O-CD 3.24Å; L543-P545 WeakPolarHBondContact O-CD 3.43Å
544	F	94.2	Very high	91.9	Very high	7 Å²	7	50.3 Å²	50.3	3%	0.031	28%	0.282	C	S	.	.			trans	-121	66	-173.9	-58.2	-78.3	0	0	0	112.8	I516 L520 I540 L541 T546 V547 F553	I516-F544 HydrophobicContact CD1-CD1 3.53Å; I516-F544 HydrophobicContact CD1-CE1 3.65Å; I516-F544 HydrophobicContact CD1-CG 4.38Å; I516-F544 HydrophobicContact CG2-CE1 4.47Å; I516-F544 HydrophobicContact CG2-CZ 4.48Å; L520-F544 HydrophobicContact CD1-CZ 4.41Å; L520-F544 HydrophobicContact CD2-CE2 3.92Å; L520-F544 HydrophobicContact CD2-CZ 3.83Å; L520-F544 HydrophobicContact CG-CE2 4.38Å; L520-F544 HydrophobicContact CG-CZ 3.88Å; I540-F544 HydrophobicContact CG2-CD2 4.44Å; I540-F544 PolarHBondContact O-N 3.39Å; L541-F544 CarbonylContact O-C 3.51Å; L541-F544 PolarHBondContact O-N 3.35Å; F544-T546 PolarHBondContact O-N 2.85Å; F544-V547 HydrophobicContact CB-CB 4.28Å; F544-V547 HydrophobicContact CB-CG2 3.8Å; F544-V547 WeakPolarHBondContact O-CB 3.45Å; F544-V547 PolarHBondContact O-N 3.43Å; F544-F553 HydrophobicContact CB-CE1 4.41Å; F544-F553 HydrophobicContact CB-CZ 4.45Å; F544-F553 HydrophobicContact CD1-CZ 4.39Å; F544-F553 AromaticContact CD2-CE1 3.73Å; F544-F553 HydrophobicContact CD2-CE1 3.73Å; F544-F553 AromaticContact CD2-CZ 3.82Å; F544-F553 HydrophobicContact CD2-CZ 3.82Å; F544-F553 HydrophobicContact CE2-CE1 4.3Å; F544-F553 HydrophobicContact CE2-CZ 4.18Å; F544-F553 HydrophobicContact CG-CE1 4.13Å; F544-F553 AromaticContact CG-CZ 3.95Å; F544-F553 HydrophobicContact CG-CZ 3.95Å
545	P	91.4	Very high	91.7	Very high	96 Å²	96	53.3 Å²	53.3	62%	0.623	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.1	-3.8	-172.8	29.1	-37.6	0	0	0	114.4	L541 L543	L541-P545 WeakPolarHBondContact O-CA 3.49Å; L541-P545 WeakPolarHBondContact O-CD 3.41Å; L543-P545 VanDerWaalsContact C-CD 3.41Å; L543-P545 VanDerWaalsContact O-CD 3.24Å; L543-P545 WeakPolarHBondContact O-CD 3.43Å
546	T	89.3	Confident	91.6	Very high	100 Å²	100	52.7 Å²	52.7	61%	0.613	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90	-12.4	172.2	53.1	0	0	0	0	113.4	S451 F544	S451-T546 VanDerWaalsContact CA-O 3.24Å; S451-T546 WeakPolarHBondContact CA-O 3.46Å; S451-T546 WeakPolarHBondContact CB-O 3.43Å; F544-T546 PolarHBondContact O-N 2.85Å
547	V	91.4	Very high	91.7	Very high	7 Å²	7	50.4 Å²	50.4	4%	0.042	27%	0.274	C	S	.	.			trans	-82.1	120.9	-179.7	171.2	0	0	0	0	109.5	F544 D549 F553	F544-V547 HydrophobicContact CB-CB 4.28Å; F544-V547 HydrophobicContact CB-CG2 3.8Å; F544-V547 WeakPolarHBondContact O-CB 3.45Å; F544-V547 PolarHBondContact O-N 3.43Å; V547-D549 WeakPolarHBondContact CG1-O 3.46Å; V547-F553 HydrophobicContact CG1-CB 3.61Å; V547-F553 HydrophobicContact CG1-CD1 4.17Å; V547-F553 HydrophobicContact CG1-CD2 4.22Å; V547-F553 HydrophobicContact CG1-CG 3.77Å; V547-F553 HydrophobicContact CG2-CD2 4.14Å; V547-F553 HydrophobicContact CG2-CE2 4.17Å; V547-F553 HydrophobicContact CG2-CG 4.36Å; V547-F553 HydrophobicContact CG2-CZ 4.41Å
548	S	85.5	Confident	91.8	Very high	92 Å²	92	49.7 Å²	49.7	64%	0.643	27%	0.267	S	S	*	.	S	Bend	trans	-87.6	-16.9	-174.9	51.5	0	0	0	0	114.8	S451	S451-S548 WeakPolarHBondContact CB-OG 3.46Å; S451-S548 PolarHBondContact OG-OG 3.32Å
549	D	91.1	Very high	91.8	Very high	68 Å²	68	45 Å²	45	36%	0.364	24%	0.243	S	C	.	.			trans	-133.9	101.5	176.7	-174.8	-25.7	0	0	0	108.7	L452 V547 T551 E552 F553	L452-D549 HydrophobicContact CD2-CB 4.07Å; V547-D549 WeakPolarHBondContact CG1-O 3.46Å; D549-T551 PolarHBondContact OD1-N 2.98Å; D549-T551 VanDerWaalsContact OD1-N 3.1Å; D549-E552 HydrophobicContact CB-CB 4.41Å; D549-E552 PolarHBondContact OD1-N 3.14Å; D549-F553 WeakPolarHBondContact O-CB 3.47Å; D549-F553 PolarHBondContact O-N 2.85Å; D549-F553 VanDerWaalsContact O-N 3.12Å
550	I	91.2	Very high	91.7	Very high	28 Å²	28	43.1 Å²	43.1	14%	0.144	23%	0.234	C	C	.	.	H	α-helix	trans	-75.5	-31	-176.2	-48.8	156.1	0	0	0	110.6	T537 I540 L541 S554	T537-I550 HydrophobicContact CG2-CB 4.14Å; T537-I550 HydrophobicContact CG2-CD1 3.7Å; T537-I550 HydrophobicContact CG2-CG2 3.89Å; I540-I550 HydrophobicContact CB-CG2 4.13Å; I540-I550 HydrophobicContact CG2-CG2 3.85Å; L541-I550 HydrophobicContact CB-CD1 3.8Å; L541-I550 HydrophobicContact CB-CG1 4.4Å; L541-I550 HydrophobicContact CD1-CD1 4.13Å; L541-I550 HydrophobicContact CD1-CG1 4.3Å; L541-I550 HydrophobicContact CD2-CD1 4.18Å; L541-I550 HydrophobicContact CG-CD1 4.24Å; I550-S554 VanDerWaalsContact O-CB 3.3Å; I550-S554 WeakPolarHBondContact O-CB 3.46Å; I550-S554 PolarHBondContact O-N 3.14Å; I550-S554 PolarHBondContact O-OG 3.36Å
551	T	89.6	Confident	91.7	Very high	70 Å²	70	43 Å²	43	43%	0.429	23%	0.234	S	C	.	.	H	α-helix	trans	-67.8	-49	-178.8	-52.8	0	0	0	0	110.3	D549 S554 R555	D549-T551 PolarHBondContact OD1-N 2.98Å; D549-T551 VanDerWaalsContact OD1-N 3.1Å; T551-S554 PolarHBondContact O-N 3.23Å; T551-R555 WeakPolarHBondContact O-CG 3.47Å; T551-R555 PolarHBondContact O-N 3.3Å; T551-R555 VanDerWaalsContact O-N 3.1Å
552	E	90.5	Very high	91.7	Very high	29 Å²	29	39.9 Å²	39.9	14%	0.136	22%	0.217	C	C	.	.	H	α-helix	trans	-76.1	-30.2	179.6	-154	57.2	-122	0	0	112.2	K456 F504 D549 R555 L556	K456-E552 WeakPolarHBondContact CE-OE1 3.43Å; K456-E552 WeakPolarHBondContact CE-OE2 3.33Å; K456-E552 IonicContact NZ-OE1 3.12Å; K456-E552 PolarHBondContact NZ-OE1 3.09Å; K456-E552 IonicContact NZ-OE2 2.66Å; K456-E552 PolarHBondContact NZ-OE2 2.87Å; F504-E552 HydrophobicContact CE1-CG 4.22Å; F504-E552 VanDerWaalsContact CE1-OE1 3.29Å; F504-E552 WeakPolarHBondContact CE1-OE1 3.48Å; F504-E552 VanDerWaalsContact CZ-OE1 3.24Å; F504-E552 WeakPolarHBondContact CZ-OE1 3.36Å; D549-E552 HydrophobicContact CB-CB 4.41Å; D549-E552 PolarHBondContact OD1-N 3.14Å; E552-R555 VanDerWaalsContact OE1-CD 3.28Å; E552-R555 WeakPolarHBondContact OE1-CD 3.5Å; E552-R555 IonicContact OE2-CZ 2.73Å; E552-R555 IonicContact OE2-NH1 3.94Å; E552-R555 PolarHBondContact OE2-NH1 3.13Å; E552-L556 PolarHBondContact O-N 2.71Å
553	F	94.1	Very high	91.8	Very high	1 Å²	1	33 Å²	33	0%	0.004	19%	0.185	C	C	.	.	H	α-helix	trans	-61.6	-44.7	166.4	176.8	-112.4	0	0	0	112.3	L452 W511 I516 I540 F544 V547 D549 R555 L556 L557	L452-F553 HydrophobicContact CD1-CB 4.49Å; L452-F553 HydrophobicContact CD1-CD2 4.3Å; W511-F553 HydrophobicContact CH2-CD2 4.07Å; W511-F553 HydrophobicContact CH2-CE2 4.08Å; W511-F553 HydrophobicContact CZ2-CD2 4.26Å; W511-F553 HydrophobicContact CZ2-CE2 4.1Å; I516-F553 HydrophobicContact CD1-CE2 3.82Å; I516-F553 HydrophobicContact CD1-CZ 3.98Å; I516-F553 HydrophobicContact CG1-CE2 4.08Å; I516-F553 HydrophobicContact CG2-CE2 3.93Å; I516-F553 HydrophobicContact CG2-CZ 3.86Å; I540-F553 HydrophobicContact CG2-CD1 4Å; I540-F553 HydrophobicContact CG2-CE1 3.84Å; F544-F553 HydrophobicContact CB-CE1 4.41Å; F544-F553 HydrophobicContact CB-CZ 4.45Å; F544-F553 HydrophobicContact CD1-CZ 4.39Å; F544-F553 AromaticContact CD2-CE1 3.73Å; F544-F553 HydrophobicContact CD2-CE1 3.73Å; F544-F553 AromaticContact CD2-CZ 3.82Å; F544-F553 HydrophobicContact CD2-CZ 3.82Å; F544-F553 HydrophobicContact CE2-CE1 4.3Å; F544-F553 HydrophobicContact CE2-CZ 4.18Å; F544-F553 HydrophobicContact CG-CE1 4.13Å; F544-F553 AromaticContact CG-CZ 3.95Å; F544-F553 HydrophobicContact CG-CZ 3.95Å; V547-F553 HydrophobicContact CG1-CB 3.61Å; V547-F553 HydrophobicContact CG1-CD1 4.17Å; V547-F553 HydrophobicContact CG1-CD2 4.22Å; V547-F553 HydrophobicContact CG1-CG 3.77Å; V547-F553 HydrophobicContact CG2-CD2 4.14Å; V547-F553 HydrophobicContact CG2-CE2 4.17Å; V547-F553 HydrophobicContact CG2-CG 4.36Å; V547-F553 HydrophobicContact CG2-CZ 4.41Å; D549-F553 WeakPolarHBondContact O-CB 3.47Å; D549-F553 PolarHBondContact O-N 2.85Å; D549-F553 VanDerWaalsContact O-N 3.12Å; F553-R555 PolarHBondContact O-N 2.76Å; F553-L556 WeakPolarHBondContact O-CA 3.23Å; F553-L556 WeakPolarHBondContact O-CB 3.14Å; F553-L556 PolarHBondContact O-N 3Å; F553-L556 VanDerWaalsContact O-N 3.11Å; F553-L557 HydrophobicContact CD1-CD1 4.14Å; F553-L557 HydrophobicContact CD1-CG 4.41Å; F553-L557 HydrophobicContact CE1-CD1 3.69Å; F553-L557 HydrophobicContact CE1-CD2 4.37Å; F553-L557 HydrophobicContact CE1-CG 4.19Å; F553-L557 HydrophobicContact CE2-CD2 3.96Å; F553-L557 HydrophobicContact CE2-CG 4.41Å; F553-L557 HydrophobicContact CZ-CD1 4Å; F553-L557 HydrophobicContact CZ-CD2 3.87Å; F553-L557 HydrophobicContact CZ-CG 4.18Å; F553-L557 WeakPolarHBondContact O-CG 3.26Å; F553-L557 PolarHBondContact O-N 3.14Å
554	S	93.1	Very high	91.8	Very high	10 Å²	10	31.5 Å²	31.5	7%	0.07	18%	0.177	C	C	.	.	H	α-helix	trans	-63.5	-40.8	178.2	-59.8	0	0	0	0	111.7	I550 T551 L556 L557 E558 F574	I550-S554 VanDerWaalsContact O-CB 3.3Å; I550-S554 WeakPolarHBondContact O-CB 3.46Å; I550-S554 PolarHBondContact O-N 3.14Å; I550-S554 PolarHBondContact O-OG 3.36Å; T551-S554 PolarHBondContact O-N 3.23Å; S554-L556 VanDerWaalsContact C-N 3.31Å; S554-L556 PolarHBondContact O-N 2.87Å; S554-L557 PolarHBondContact O-N 3.49Å; S554-L557 VanDerWaalsContact O-N 3.17Å; S554-E558 PolarHBondContact O-N 3.03Å; S554-F574 WeakPolarHBondContact O-CE2 3.39Å
555	R	91.5	Very high	91.7	Very high	123 Å²	123	32 Å²	32	46%	0.464	18%	0.181	S	C	.	.	H	α-helix	trans	-60.1	-38.8	171.7	-68.8	169.9	178.4	148.1	4.2	112.5	F504 T551 E552 F553 E558 A559	F504-R555 HydrophobicContact CE2-CB 4.46Å; F504-R555 HydrophobicContact CZ-CB 3.76Å; T551-R555 WeakPolarHBondContact O-CG 3.47Å; T551-R555 PolarHBondContact O-N 3.3Å; T551-R555 VanDerWaalsContact O-N 3.1Å; E552-R555 VanDerWaalsContact OE1-CD 3.28Å; E552-R555 WeakPolarHBondContact OE1-CD 3.5Å; E552-R555 IonicContact OE2-CZ 2.73Å; E552-R555 IonicContact OE2-NH1 3.94Å; E552-R555 PolarHBondContact OE2-NH1 3.13Å; F553-R555 PolarHBondContact O-N 2.76Å; R555-E558 PolarHBondContact O-N 2.78Å; R555-A559 WeakPolarHBondContact O-CB 3.18Å; R555-A559 PolarHBondContact O-N 2.95Å
556	L	93.5	Very high	91.6	Very high	1 Å²	1	29 Å²	29	1%	0.005	16%	0.159	C	C	.	.	H	α-helix	trans	-65.1	-42.9	172.7	174.4	70.5	0	0	0	112.2	V454 F504 V506 W511 E552 F553 S554 E558 A559 V560	V454-L556 HydrophobicContact CG1-CD1 4.29Å; V454-L556 HydrophobicContact CG1-CD2 4.25Å; V454-L556 HydrophobicContact CG2-CD2 3.84Å; F504-L556 HydrophobicContact CB-CD1 3.82Å; F504-L556 HydrophobicContact CD1-CB 4.25Å; F504-L556 HydrophobicContact CD1-CD1 4.02Å; F504-L556 HydrophobicContact CD2-CD1 4.32Å; F504-L556 HydrophobicContact CE1-CB 4.12Å; F504-L556 HydrophobicContact CG-CD1 3.81Å; F504-L556 HydrophobicContact CZ-CB 4.39Å; V506-L556 HydrophobicContact CG2-CD1 3.99Å; W511-L556 HydrophobicContact CH2-CD2 3.85Å; W511-L556 HydrophobicContact CZ3-CD2 3.82Å; E552-L556 PolarHBondContact O-N 2.71Å; F553-L556 WeakPolarHBondContact O-CA 3.23Å; F553-L556 WeakPolarHBondContact O-CB 3.14Å; F553-L556 PolarHBondContact O-N 3Å; F553-L556 VanDerWaalsContact O-N 3.11Å; S554-L556 VanDerWaalsContact C-N 3.31Å; S554-L556 PolarHBondContact O-N 2.87Å; L556-E558 PolarHBondContact O-N 3.29Å; L556-A559 PolarHBondContact O-N 3.39Å; L556-V560 HydrophobicContact CD1-CG2 4.33Å; L556-V560 WeakPolarHBondContact O-CB 3.42Å; L556-V560 WeakPolarHBondContact O-CG2 3.46Å; L556-V560 PolarHBondContact O-N 3.01Å
557	L	94.5	Very high	91.3	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-61.4	-35.5	176.2	-60.7	-175.5	0	0	0	111.4	I516 F553 S554 G561 L562 F574 F576	I516-L557 HydrophobicContact CG2-CD2 3.76Å; F553-L557 HydrophobicContact CD1-CD1 4.14Å; F553-L557 HydrophobicContact CD1-CG 4.41Å; F553-L557 HydrophobicContact CE1-CD1 3.69Å; F553-L557 HydrophobicContact CE1-CD2 4.37Å; F553-L557 HydrophobicContact CE1-CG 4.19Å; F553-L557 HydrophobicContact CE2-CD2 3.96Å; F553-L557 HydrophobicContact CE2-CG 4.41Å; F553-L557 HydrophobicContact CZ-CD1 4Å; F553-L557 HydrophobicContact CZ-CD2 3.87Å; F553-L557 HydrophobicContact CZ-CG 4.18Å; F553-L557 WeakPolarHBondContact O-CG 3.26Å; F553-L557 PolarHBondContact O-N 3.14Å; S554-L557 PolarHBondContact O-N 3.49Å; S554-L557 VanDerWaalsContact O-N 3.17Å; L557-G561 PolarHBondContact O-N 3.17Å; L557-L562 HydrophobicContact CB-CD1 4.24Å; L557-L562 HydrophobicContact CD2-CD1 3.64Å; L557-L562 HydrophobicContact CG-CD1 4.46Å; L557-L562 PolarHBondContact O-N 3.35Å; L557-F574 HydrophobicContact CB-CE1 4.16Å; L557-F574 HydrophobicContact CB-CE2 3.92Å; L557-F574 HydrophobicContact CB-CZ 3.55Å; L557-F576 HydrophobicContact CD1-CE1 3.97Å; L557-F576 HydrophobicContact CD1-CZ 3.85Å
558	E	92.5	Very high	90.4	Very high	26 Å²	26	33 Å²	33	12%	0.121	18%	0.178	C	C	.	.	H	α-helix	trans	-72.5	-38.4	173.8	-177.2	174.5	135.3	0	0	113.1	S554 R555 L556 G561 T564 V565 F574 R626	S554-E558 PolarHBondContact O-N 3.03Å; R555-E558 PolarHBondContact O-N 2.78Å; L556-E558 PolarHBondContact O-N 3.29Å; E558-G561 WeakPolarHBondContact O-CA 3.05Å; E558-G561 PolarHBondContact O-N 3.12Å; E558-T564 WeakPolarHBondContact OE2-CA 3.41Å; E558-V565 PolarHBondContact OE2-N 2.97Å; E558-F574 HydrophobicContact CB-CE2 4.05Å; E558-F574 HydrophobicContact CB-CZ 4.42Å; E558-R626 IonicContact OE1-CZ 2.65Å; E558-R626 VanDerWaalsContact OE1-CZ 3.27Å; E558-R626 IonicContact OE1-NE 2.59Å; E558-R626 PolarHBondContact OE1-NE 2.99Å; E558-R626 IonicContact OE1-NH2 2.9Å; E558-R626 PolarHBondContact OE1-NH2 3.41Å
559	A	91.6	Very high	89.7	Confident	2 Å²	2	37.1 Å²	37.1	2%	0.017	19%	0.192	C	C	.	.	H	α-helix	trans	-70.9	-30.2	174.6	0	0	0	0	0	112.8	R294 V493 F504 R555 L556	R294-A559 PolarHBondContact NH1-O 2.77Å; V493-A559 VanDerWaalsContact CG1-C 3.43Å; V493-A559 HydrophobicContact CG1-CB 3.96Å; V493-A559 VanDerWaalsContact CG1-O 3.28Å; V493-A559 WeakPolarHBondContact CG1-O 3.34Å; F504-A559 HydrophobicContact CD2-CB 3.68Å; F504-A559 HydrophobicContact CE2-CB 3.74Å; R555-A559 WeakPolarHBondContact O-CB 3.18Å; R555-A559 PolarHBondContact O-N 2.95Å; L556-A559 PolarHBondContact O-N 3.39Å
560	V	92.1	Very high	88.7	Confident	0 Å²	0	37.5 Å²	37.5	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-69.3	-26.1	163.1	173.1	0	0	0	0	110.5	L291 V493 L512 I517 L556 L562 R619	L291-V560 HydrophobicContact CD2-CG1 4.22Å; V493-V560 HydrophobicContact CG1-CG2 3.84Å; V493-V560 HydrophobicContact CG2-CG2 4.2Å; L512-V560 HydrophobicContact CD1-CG2 4.28Å; L512-V560 HydrophobicContact CD2-CG2 3.98Å; I517-V560 HydrophobicContact CD1-CG1 4.03Å; L556-V560 HydrophobicContact CD1-CG2 4.33Å; L556-V560 WeakPolarHBondContact O-CB 3.42Å; L556-V560 WeakPolarHBondContact O-CG2 3.46Å; L556-V560 PolarHBondContact O-N 3.01Å; V560-L562 HydrophobicContact CG1-CD1 4.13Å; V560-L562 HydrophobicContact CG1-CG 4.14Å; V560-R619 PolarHBondContact O-NH1 3.37Å; V560-R619 PolarHBondContact O-NH2 3.26Å
561	G	91.5	Very high	88.1	Confident	1 Å²	1	41.1 Å²	41.1	1%	0.01	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	71.6	39	178.5	0	0	0	0	0	113.9	L557 E558 G563 R619 N622	L557-G561 PolarHBondContact O-N 3.17Å; E558-G561 WeakPolarHBondContact O-CA 3.05Å; E558-G561 PolarHBondContact O-N 3.12Å; G561-G563 PolarHBondContact O-N 3.22Å; G561-R619 VanDerWaalsContact CA-NH1 3.25Å; G561-R619 PolarHBondContact O-NH1 3.29Å; G561-N622 PolarHBondContact O-ND2 3.19Å; G561-N622 VanDerWaalsContact O-ND2 3.12Å
562	L	92.9	Very high	88	Confident	1 Å²	1	40.6 Å²	40.6	1%	0.005	23%	0.227	C	C	.	.	S	Bend	trans	-65.3	-21.3	166	-82.9	156.4	0	0	0	113	F290 L291 I517 L520 L521 L557 V560 F576	F290-L562 HydrophobicContact CZ-CD2 4.45Å; L291-L562 HydrophobicContact CD1-CD2 3.66Å; L291-L562 HydrophobicContact CD1-CG 4.2Å; L291-L562 HydrophobicContact CD2-CG 4.4Å; I517-L562 HydrophobicContact CG1-CD1 4.21Å; L520-L562 HydrophobicContact CD1-CD1 3.94Å; L520-L562 HydrophobicContact CD1-CD2 4.34Å; L521-L562 HydrophobicContact CD1-CD2 4.36Å; L557-L562 HydrophobicContact CB-CD1 4.24Å; L557-L562 HydrophobicContact CD2-CD1 3.64Å; L557-L562 HydrophobicContact CG-CD1 4.46Å; L557-L562 PolarHBondContact O-N 3.35Å; V560-L562 HydrophobicContact CG1-CD1 4.13Å; V560-L562 HydrophobicContact CG1-CG 4.14Å; L562-F576 HydrophobicContact CB-CD1 4.04Å; L562-F576 HydrophobicContact CB-CE1 4.2Å
563	G	93.9	Very high	88.2	Confident	0 Å²	0	39.9 Å²	39.9	0%	0	23%	0.226	C	C	.	.			trans	173.3	-159.1	-168.7	0	0	0	0	0	112	G561 F574 E575 N622	G561-G563 PolarHBondContact O-N 3.22Å; G563-F574 VanDerWaalsContact C-CZ 3.46Å; G563-E575 CarbonylContact C-O 3.56Å; G563-E575 WeakPolarHBondContact CA-O 3.29Å; G563-N622 PolarHBondContact O-ND2 3.49Å
564	T	93.4	Very high	88.2	Confident	0 Å²	0	39.9 Å²	39.9	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	152.2	176.4	48.9	0	0	0	0	112.8	E558 F574 E575 N622 R625	E558-T564 WeakPolarHBondContact OE2-CA 3.41Å; T564-F574 CarbonylContact O-C 3.17Å; T564-F574 WeakPolarHBondContact O-CA 3.37Å; T564-F574 WeakPolarHBondContact O-CD2 3.49Å; T564-E575 PolarHBondContact N-O 3.29Å; T564-E575 PolarHBondContact O-N 2.75Å; T564-N622 HydrophobicContact CG2-CB 3.68Å; T564-N622 WeakPolarHBondContact CG2-O 3.37Å; T564-R625 WeakPolarHBondContact OG1-CD 3.46Å; T564-R625 WeakPolarHBondContact OG1-CG 3.22Å
565	V	91.8	Very high	88.3	Confident	17 Å²	17	39.5 Å²	39.5	10%	0.103	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68	140.7	165.6	-178.8	0	0	0	0	109.6	E558 F574 Q629	E558-V565 PolarHBondContact OE2-N 2.97Å; V565-F574 HydrophobicContact CG2-CD2 4Å; V565-F574 HydrophobicContact CG2-CE2 4.24Å; V565-Q629 PolarHBondContact O-NE2 3.27Å; V565-Q629 PolarHBondContact O-OE1 2.68Å
566	I	88.4	Confident	88.4	Confident	32 Å²	32	33.7 Å²	33.7	16%	0.164	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	105.5	172	-60.9	-172	0	0	0	108.7	I534 A573 E575	I534-I566 HydrophobicContact CD1-CD1 4.38Å; I534-I566 HydrophobicContact CG1-CD1 4.49Å; I566-A573 HydrophobicContact CB-CB 4.32Å; I566-A573 PolarHBondContact N-O 2.88Å; I566-A573 PolarHBondContact O-N 2.97Å; I566-E575 HydrophobicContact CD1-CB 3.74Å; I566-E575 HydrophobicContact CG1-CB 4.35Å
567	H	83.3	Confident	88.3	Confident	124 Å²	124	33.8 Å²	33.8	57%	0.574	20%	0.202	S	C	*	.			trans	-75.1	129.5	168.6	-60.5	-53.2	0	0	0	110.2	D572	H567-D572 WeakPolarHBondContact CA-OD1 3.41Å; H567-D572 IonicContact CE1-OD1 3.21Å; H567-D572 IonicContact CE1-OD2 2.98Å; H567-D572 IonicContact CG-OD1 3.7Å; H567-D572 IonicContact ND1-OD1 3.37Å; H567-D572 PolarHBondContact ND1-OD1 3.14Å; H567-D572 IonicContact ND1-OD2 3.77Å
568	S	73.5	Confident	88	Confident	69 Å²	69	34.8 Å²	34.8	48%	0.483	21%	0.209	S	C	.	.			trans	-144.5	159	172	77.6	0	0	0	0	110.4	G570 N571	S568-G570 PolarHBondContact O-N 3.05Å; S568-N571 PolarHBondContact N-O 3.24Å; S568-N571 PolarHBondContact O-N 3.24Å; S568-N571 PolarHBondContact OG-O 3.49Å
569	D	69.8	Low	88	Confident	177 Å²	177	33.6 Å²	33.6	95%	0.947	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.7	96.9	-170.4	-70.9	-27.3	0	0	0	112.9
570	G	69.2	Low	88	Confident	76 Å²	76	33.9 Å²	33.9	78%	0.784	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	89.7	-2.9	178.5	0	0	0	0	0	116.3	S568	S568-G570 PolarHBondContact O-N 3.05Å
571	N	80.2	Confident	87.9	Confident	104 Å²	104	37.4 Å²	37.4	56%	0.556	22%	0.22	S	C	*	.			trans	-145.4	122.2	176.8	-79	-66.4	0	0	0	112.6	S568	S568-N571 PolarHBondContact N-O 3.24Å; S568-N571 PolarHBondContact O-N 3.24Å; S568-N571 PolarHBondContact OG-O 3.49Å
572	D	87.8	Confident	87.9	Confident	59 Å²	59	38.9 Å²	38.9	32%	0.316	23%	0.23	S	C	.	.			trans	-84.1	138.2	167.3	-80.1	-12.9	0	0	0	111.2	T537 H567	T537-D572 PolarHBondContact N-O 3.41Å; T537-D572 VanDerWaalsContact N-O 3.1Å; T537-D572 PolarHBondContact OG1-O 2.61Å; H567-D572 WeakPolarHBondContact CA-OD1 3.41Å; H567-D572 IonicContact CE1-OD1 3.21Å; H567-D572 IonicContact CE1-OD2 2.98Å; H567-D572 IonicContact CG-OD1 3.7Å; H567-D572 IonicContact ND1-OD1 3.37Å; H567-D572 PolarHBondContact ND1-OD1 3.14Å; H567-D572 IonicContact ND1-OD2 3.77Å
573	A	93.2	Very high	87.8	Confident	15 Å²	15	49.4 Å²	49.4	12%	0.124	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	173.7	174.3	0	0	0	0	0	110.8	I534 Y535 I566	I534-A573 HydrophobicContact CG2-CB 4.12Å; Y535-A573 CarbonylContact O-C 3.57Å; Y535-A573 VanDerWaalsContact O-CA 3.26Å; Y535-A573 WeakPolarHBondContact O-CA 3.27Å; Y535-A573 VanDerWaalsContact O-CB 3.3Å; Y535-A573 WeakPolarHBondContact O-CB 3.49Å; I566-A573 HydrophobicContact CB-CB 4.32Å; I566-A573 PolarHBondContact N-O 2.88Å; I566-A573 PolarHBondContact O-N 2.97Å
574	F	94.8	Very high	87.7	Confident	0 Å²	0	53 Å²	53	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	131.5	172.2	-164.8	-89.2	0	0	0	110	I534 Y535 I540 S554 L557 E558 G563 T564 V565 F576	I534-F574 WeakPolarHBondContact CA-O 3.4Å; Y535-F574 PolarHBondContact N-O 2.94Å; Y535-F574 PolarHBondContact O-N 2.81Å; I540-F574 HydrophobicContact CD1-CB 3.54Å; S554-F574 WeakPolarHBondContact O-CE2 3.39Å; L557-F574 HydrophobicContact CB-CE1 4.16Å; L557-F574 HydrophobicContact CB-CE2 3.92Å; L557-F574 HydrophobicContact CB-CZ 3.55Å; E558-F574 HydrophobicContact CB-CE2 4.05Å; E558-F574 HydrophobicContact CB-CZ 4.42Å; G563-F574 VanDerWaalsContact C-CZ 3.46Å; T564-F574 CarbonylContact O-C 3.17Å; T564-F574 WeakPolarHBondContact O-CA 3.37Å; T564-F574 WeakPolarHBondContact O-CD2 3.49Å; V565-F574 HydrophobicContact CG2-CD2 4Å; V565-F574 HydrophobicContact CG2-CE2 4.24Å; F574-F576 AromaticContact CD1-CD1 4Å; F574-F576 HydrophobicContact CD1-CD1 4Å; F574-F576 AromaticContact CD1-CD2 3.89Å; F574-F576 HydrophobicContact CD1-CD2 3.89Å; F574-F576 AromaticContact CD1-CE1 3.78Å; F574-F576 HydrophobicContact CD1-CE1 3.78Å; F574-F576 AromaticContact CD1-CE2 3.68Å; F574-F576 HydrophobicContact CD1-CE2 3.68Å; F574-F576 HydrophobicContact CD1-CG 4.04Å; F574-F576 AromaticContact CD1-CZ 3.62Å; F574-F576 HydrophobicContact CD1-CZ 3.62Å; F574-F576 AromaticContact CE1-CD1 3.67Å; F574-F576 HydrophobicContact CE1-CD1 3.67Å; F574-F576 HydrophobicContact CE1-CD2 4.39Å; F574-F576 AromaticContact CE1-CE1 3.54Å; F574-F576 HydrophobicContact CE1-CE1 3.54Å; F574-F576 HydrophobicContact CE1-CE2 4.3Å; F574-F576 HydrophobicContact CE1-CG 4.09Å; F574-F576 AromaticContact CE1-CZ 3.88Å; F574-F576 HydrophobicContact CE1-CZ 3.88Å
575	E	94.8	Very high	87.4	Confident	2 Å²	2	55.1 Å²	55.1	1%	0.009	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	116.6	171.3	-176.6	-169.8	-150.9	0	0	110.3	G533 I534 G563 T564 I566 S577 N580 R625	G533-E575 WeakPolarHBondContact O-CA 3.41Å; I534-E575 HydrophobicContact CG1-CB 3.98Å; I534-E575 HydrophobicContact CG1-CG 3.9Å; G563-E575 CarbonylContact C-O 3.56Å; G563-E575 WeakPolarHBondContact CA-O 3.29Å; T564-E575 PolarHBondContact N-O 3.29Å; T564-E575 PolarHBondContact O-N 2.75Å; I566-E575 HydrophobicContact CD1-CB 3.74Å; I566-E575 HydrophobicContact CG1-CB 4.35Å; E575-S577 PolarHBondContact O-N 2.65Å; E575-N580 PolarHBondContact OE1-ND2 2.92Å; E575-R625 VanDerWaalsContact CD-NH1 3.27Å; E575-R625 IonicContact OE1-NH1 2.7Å; E575-R625 PolarHBondContact OE1-NH1 2.96Å; E575-R625 IonicContact OE2-CZ 3.45Å; E575-R625 IonicContact OE2-NH1 2.73Å; E575-R625 PolarHBondContact OE2-NH1 3.06Å
576	F	94.7	Very high	87.2	Confident	1 Å²	1	59.5 Å²	59.5	0%	0.004	34%	0.336	C	S	.	.			trans	-81.7	95.6	163.4	-60.5	-86.1	0	0	0	109.1	L520 G533 Y535 L557 L562 F574 S578 M579 N580	L520-F576 HydrophobicContact CD1-CE1 3.72Å; L520-F576 HydrophobicContact CD1-CZ 4.21Å; L520-F576 HydrophobicContact CD2-CE1 4.13Å; L520-F576 HydrophobicContact CD2-CZ 3.99Å; G533-F576 PolarHBondContact O-N 2.96Å; Y535-F576 AromaticContact CD2-CD2 3.62Å; Y535-F576 HydrophobicContact CD2-CD2 3.62Å; Y535-F576 AromaticContact CD2-CE2 3.75Å; Y535-F576 HydrophobicContact CD2-CE2 3.75Å; Y535-F576 AromaticContact CE2-CD2 3.78Å; Y535-F576 HydrophobicContact CE2-CD2 3.78Å; Y535-F576 HydrophobicContact CE2-CE2 4.16Å; L557-F576 HydrophobicContact CD1-CE1 3.97Å; L557-F576 HydrophobicContact CD1-CZ 3.85Å; L562-F576 HydrophobicContact CB-CD1 4.04Å; L562-F576 HydrophobicContact CB-CE1 4.2Å; F574-F576 AromaticContact CD1-CD1 4Å; F574-F576 HydrophobicContact CD1-CD1 4Å; F574-F576 AromaticContact CD1-CD2 3.89Å; F574-F576 HydrophobicContact CD1-CD2 3.89Å; F574-F576 AromaticContact CD1-CE1 3.78Å; F574-F576 HydrophobicContact CD1-CE1 3.78Å; F574-F576 AromaticContact CD1-CE2 3.68Å; F574-F576 HydrophobicContact CD1-CE2 3.68Å; F574-F576 HydrophobicContact CD1-CG 4.04Å; F574-F576 AromaticContact CD1-CZ 3.62Å; F574-F576 HydrophobicContact CD1-CZ 3.62Å; F574-F576 AromaticContact CE1-CD1 3.67Å; F574-F576 HydrophobicContact CE1-CD1 3.67Å; F574-F576 HydrophobicContact CE1-CD2 4.39Å; F574-F576 AromaticContact CE1-CE1 3.54Å; F574-F576 HydrophobicContact CE1-CE1 3.54Å; F574-F576 HydrophobicContact CE1-CE2 4.3Å; F574-F576 HydrophobicContact CE1-CG 4.09Å; F574-F576 AromaticContact CE1-CZ 3.88Å; F574-F576 HydrophobicContact CE1-CZ 3.88Å; F576-S578 PolarHBondContact O-N 2.9Å; F576-S578 VanDerWaalsContact O-N 3.12Å; F576-M579 HydrophobicContact CB-CB 4.01Å; F576-M579 HydrophobicContact CB-CE 4.04Å; F576-M579 HydrophobicContact CB-CG 3.72Å; F576-M579 HydrophobicContact CB-SD 3.65Å; F576-M579 HydrophobicContact CD1-CE 4.05Å; F576-M579 HydrophobicContact CD2-CE 4.46Å; F576-M579 HydrophobicContact CD2-SD 4.08Å; F576-M579 HydrophobicContact CG-CE 3.93Å; F576-M579 HydrophobicContact CG-SD 3.86Å; F576-M579 CarbonylContact O-C 3.58Å; F576-M579 WeakPolarHBondContact O-CA 3.44Å; F576-M579 WeakPolarHBondContact O-CB 3.32Å; F576-M579 PolarHBondContact O-N 2.82Å; F576-N580 PolarHBondContact O-N 2.99Å
577	S	90.5	Very high	87	Confident	4 Å²	4	63 Å²	63	3%	0.028	36%	0.355	C	S	.	.	G	3₁₀ helix	trans	-59.1	-27.2	178.8	-52.7	0	0	0	0	112.7	E575 M579 N580 N622	E575-S577 PolarHBondContact O-N 2.65Å; S577-M579 PolarHBondContact O-N 3.43Å; S577-M579 VanDerWaalsContact O-N 3.15Å; S577-N580 PolarHBondContact O-N 3.44Å; S577-N622 WeakPolarHBondContact CB-OD1 3.5Å; S577-N622 PolarHBondContact OG-OD1 3.08Å
578	S	88.3	Confident	87.2	Confident	21 Å²	21	58.4 Å²	58.4	15%	0.147	34%	0.335	C	S	.	.	G	3₁₀ helix	trans	-62.5	-13	170.2	57.1	0	0	0	0	115.1	F290 F576	F290-S578 VanDerWaalsContact CZ-CB 3.44Å; F576-S578 PolarHBondContact O-N 2.9Å; F576-S578 VanDerWaalsContact O-N 3.12Å
579	M	92.3	Very high	88	Confident	0 Å²	0	56.6 Å²	56.6	0%	0	32%	0.317	C	S	.	.	G	3₁₀ helix	trans	-118.5	3.8	179.1	-51.9	179.2	-170	0	0	112.9	L520 L521 F525 L526 C529 G533 Y535 F576 S577 F581	L520-M579 HydrophobicContact CB-CE 3.93Å; L520-M579 HydrophobicContact CD2-CE 4.09Å; L520-M579 VanDerWaalsContact O-CE 3.29Å; L520-M579 WeakPolarHBondContact O-CE 3.18Å; L521-M579 HydrophobicContact CD2-CE 4.34Å; F525-M579 HydrophobicContact CD1-CE 4.11Å; F525-M579 HydrophobicContact CD1-SD 4.3Å; F525-M579 HydrophobicContact CE1-CE 3.81Å; F525-M579 HydrophobicContact CE1-SD 3.69Å; L526-M579 HydrophobicContact CD2-CE 4.17Å; L526-M579 HydrophobicContact CD2-CG 3.79Å; L526-M579 HydrophobicContact CD2-SD 4.33Å; C529-M579 HydrophobicContact CB-SD 4.33Å; G533-M579 PolarHBondContact N-O 3.25Å; Y535-M579 HydrophobicContact CE2-SD 4.3Å; F576-M579 HydrophobicContact CB-CB 4.01Å; F576-M579 HydrophobicContact CB-CE 4.04Å; F576-M579 HydrophobicContact CB-CG 3.72Å; F576-M579 HydrophobicContact CB-SD 3.65Å; F576-M579 HydrophobicContact CD1-CE 4.05Å; F576-M579 HydrophobicContact CD2-CE 4.46Å; F576-M579 HydrophobicContact CD2-SD 4.08Å; F576-M579 HydrophobicContact CG-CE 3.93Å; F576-M579 HydrophobicContact CG-SD 3.86Å; F576-M579 CarbonylContact O-C 3.58Å; F576-M579 WeakPolarHBondContact O-CA 3.44Å; F576-M579 WeakPolarHBondContact O-CB 3.32Å; F576-M579 PolarHBondContact O-N 2.82Å; S577-M579 PolarHBondContact O-N 3.43Å; S577-M579 VanDerWaalsContact O-N 3.15Å; M579-F581 VanDerWaalsContact C-N 3.31Å; M579-F581 HydrophobicContact CB-CE2 4.26Å; M579-F581 WeakPolarHBondContact O-CD2 3.41Å; M579-F581 PolarHBondContact O-N 3.04Å
580	N	91.3	Very high	88.9	Confident	8 Å²	8	53 Å²	53	4%	0.043	30%	0.295	C	S	.	.			trans	-77.1	86.7	174.5	-171.5	-19.8	0	0	0	109.1	P531 E575 F576 S577 S582 Q641 Q643	P531-N580 CarbonylContact O-C 3.57Å; E575-N580 PolarHBondContact OE1-ND2 2.92Å; F576-N580 PolarHBondContact O-N 2.99Å; S577-N580 PolarHBondContact O-N 3.44Å; N580-S582 VanDerWaalsContact C-N 3.25Å; N580-S582 WeakPolarHBondContact OD1-CB 3.33Å; N580-S582 PolarHBondContact OD1-N 2.93Å; N580-S582 PolarHBondContact OD1-OG 3.23Å; N580-Q641 PolarHBondContact ND2-O 3.01Å; N580-Q643 WeakPolarHBondContact O-CA 3.46Å; N580-Q643 WeakPolarHBondContact O-CB 3.46Å; N580-Q643 PolarHBondContact O-N 2.95Å
581	F	91.4	Very high	89.8	Confident	75 Å²	75	54.1 Å²	54.1	33%	0.329	29%	0.288	S	S	.	.			trans	-88.6	16.5	173.9	-59	-65.5	0	0	0	112.6	P531 M579	P531-F581 CarbonylContact O-C 3.47Å; P531-F581 WeakPolarHBondContact O-CA 3.48Å; P531-F581 PolarHBondContact O-N 3.37Å; M579-F581 VanDerWaalsContact C-N 3.31Å; M579-F581 HydrophobicContact CB-CE2 4.26Å; M579-F581 WeakPolarHBondContact O-CD2 3.41Å; M579-F581 PolarHBondContact O-N 3.04Å
582	S	91.3	Very high	90	Very high	32 Å²	32	51.9 Å²	51.9	22%	0.224	28%	0.278	C	S	.	.	P	Polyproline II helix	trans	-60.5	145.6	174.5	-51.2	0	0	0	0	110.1	P531 N580 W642 Q643	P531-S582 PolarHBondContact O-N 3.05Å; P531-S582 PolarHBondContact O-OG 2.82Å; N580-S582 VanDerWaalsContact C-N 3.25Å; N580-S582 WeakPolarHBondContact OD1-CB 3.33Å; N580-S582 PolarHBondContact OD1-N 2.93Å; N580-S582 PolarHBondContact OD1-OG 3.23Å; S582-W642 WeakPolarHBondContact O-CB 3.49Å; S582-Q643 WeakPolarHBondContact O-CB 3.27Å; S582-Q643 PolarHBondContact O-N 2.82Å
583	R	91	Very high	89.4	Confident	222 Å²	222	55.2 Å²	55.2	84%	0.838	31%	0.306	S	S	*	.	P	Polyproline II helix	trans	-78.2	153.7	171.7	-66.9	-176.7	-178.3	177.9	2.3	110
584	P	90.2	Very high	88.6	Confident	74 Å²	74	58 Å²	58	48%	0.481	32%	0.322	S	S	.	.	P	Polyproline II helix	trans	-52.9	135.9	165.1	21.9	-32.7	0	0	0	110.1	L588 W642	P584-L588 HydrophobicContact CB-CD1 3.66Å; P584-W642 HydrophobicContact CB-CD2 4.24Å; P584-W642 HydrophobicContact CB-CG 4.23Å
585	P	88.6	Confident	88.3	Confident	46 Å²	46	62.4 Å²	62.4	30%	0.299	35%	0.352	S	S	.	.	P	Polyproline II helix	trans	-51.9	153.4	165.4	-26.6	32.5	0	0	0	112.1	L588 I640	P585-L588 HydrophobicContact CB-CD2 4.13Å; P585-L588 HydrophobicContact CB-CG 4.18Å; P585-L588 HydrophobicContact CG-CD2 4.05Å; P585-L588 HydrophobicContact CG-CG 4.47Å; P585-L588 WeakPolarHBondContact O-CG 3.47Å; P585-I640 HydrophobicContact CG-CG2 3.87Å
586	P	87.4	Confident	88.3	Confident	109 Å²	109	63.5 Å²	63.5	71%	0.708	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	158.4	163.7	30.2	-35.5	0	0	0	110.1	L588	P586-L588 PolarHBondContact O-N 3.03Å
587	N	84.6	Confident	88.4	Confident	106 Å²	106	64.4 Å²	64.4	57%	0.567	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.7	18.1	163	-59.7	32.4	0	0	0	116.7	W589 E590	N587-W589 PolarHBondContact O-N 2.95Å; N587-E590 VanDerWaalsContact CB-CD 3.48Å; N587-E590 HydrophobicContact CB-CG 3.83Å; N587-E590 WeakPolarHBondContact CB-OE2 3.42Å; N587-E590 VanDerWaalsContact CG-OE1 3.3Å; N587-E590 PolarHBondContact ND2-OE1 3.4Å; N587-E590 PolarHBondContact ND2-OE2 3.08Å
588	L	86.9	Confident	88.7	Confident	27 Å²	27	65 Å²	65	14%	0.141	36%	0.364	C	S	.	.	T	Hydrogen-bonded Turn	trans	-50.2	-33.9	-177.6	-79.9	167.2	0	0	0	116.1	P584 P585 P586 W642 K647	P584-L588 HydrophobicContact CB-CD1 3.66Å; P585-L588 HydrophobicContact CB-CD2 4.13Å; P585-L588 HydrophobicContact CB-CG 4.18Å; P585-L588 HydrophobicContact CG-CD2 4.05Å; P585-L588 HydrophobicContact CG-CG 4.47Å; P585-L588 WeakPolarHBondContact O-CG 3.47Å; P586-L588 PolarHBondContact O-N 3.03Å; L588-W642 HydrophobicContact CD1-CH2 3.51Å; L588-W642 HydrophobicContact CD1-CZ2 3.52Å; L588-W642 HydrophobicContact CD1-CZ3 4.07Å; L588-W642 HydrophobicContact CD2-CH2 3.72Å; L588-W642 HydrophobicContact CD2-CZ3 3.74Å; L588-W642 HydrophobicContact CG-CH2 4.26Å; L588-K647 HydrophobicContact CD2-CB 4.17Å; L588-K647 HydrophobicContact CD2-CD 3.85Å; L588-K647 PolarHBondContact O-NZ 2.9Å
589	W	89.6	Confident	89.1	Confident	31 Å²	31	64 Å²	64	12%	0.117	36%	0.358	C	S	.	.	T	Hydrogen-bonded Turn	trans	-145.7	50.2	-170.2	-157.6	-95.4	0	0	0	111.6	N587 Y598 E654 L656 R669 R671 H717	N587-W589 PolarHBondContact O-N 2.95Å; W589-Y598 HydrophobicContact CZ2-CD1 4.45Å; W589-E654 HydrophobicContact CZ3-CB 3.99Å; W589-L656 HydrophobicContact CB-CD2 4Å; W589-L656 HydrophobicContact CD2-CB 4.4Å; W589-L656 HydrophobicContact CD2-CD2 3.83Å; W589-L656 HydrophobicContact CE3-CB 3.6Å; W589-L656 HydrophobicContact CE3-CD2 3.7Å; W589-L656 HydrophobicContact CE3-CG 4.24Å; W589-L656 HydrophobicContact CG-CD2 4.01Å; W589-L656 HydrophobicContact CH2-CB 4.16Å; W589-L656 HydrophobicContact CZ3-CB 3.47Å; W589-L656 VanDerWaalsContact CZ3-CB 3.47Å; W589-L656 HydrophobicContact CZ3-CD2 4.41Å; W589-R669 HydrophobicContact CH2-CB 3.93Å; W589-R669 HydrophobicContact CZ2-CB 3.76Å; W589-R671 HydrophobicContact CH2-CB 4.11Å; W589-R671 HydrophobicContact CH2-CG 3.6Å; W589-R671 HydrophobicContact CZ2-CB 4.1Å; W589-R671 HydrophobicContact CZ2-CG 3.83Å; W589-R671 HydrophobicContact CZ3-CG 4.14Å; W589-H717 AromaticContact CD1-CE1 3.6Å; W589-H717 AromaticContact CD1-ND1 3.71Å; W589-H717 AromaticContact NE1-CE1 4Å; W589-H717 PolarHBondContact O-CE1 3.34Å; W589-H717 PolarHBondContact O-ND1 3.27Å
590	E	88.6	Confident	89.4	Confident	101 Å²	101	64 Å²	64	47%	0.472	36%	0.358	S	S	.	.	P	Polyproline II helix	trans	-72.3	154.4	177	-67.6	-166.7	126	0	0	112.9	N587 V592 R671 H717	N587-E590 VanDerWaalsContact CB-CD 3.48Å; N587-E590 HydrophobicContact CB-CG 3.83Å; N587-E590 WeakPolarHBondContact CB-OE2 3.42Å; N587-E590 VanDerWaalsContact CG-OE1 3.3Å; N587-E590 PolarHBondContact ND2-OE1 3.4Å; N587-E590 PolarHBondContact ND2-OE2 3.08Å; E590-V592 PolarHBondContact O-N 3.23Å; E590-R671 PolarHBondContact O-NH1 2.77Å; E590-R671 PolarHBondContact O-NH2 2.94Å; E590-H717 VanDerWaalsContact C-CE1 3.42Å; E590-H717 PolarHBondContact O-CE1 3.17Å
591	P	89	Confident	89.6	Confident	99 Å²	99	63.7 Å²	63.7	64%	0.643	36%	0.356	S	S	*	.	P	Polyproline II helix	trans	-57.6	133.6	172.3	-23.4	34.3	0	0	0	112.5
592	V	84.4	Confident	89.9	Confident	57 Å²	57	62.3 Å²	62.3	35%	0.345	35%	0.348	S	S	.	.	P	Polyproline II helix	trans	-100.6	146.7	177	-154.8	0	0	0	0	109.6	E590 T594 F596	E590-V592 PolarHBondContact O-N 3.23Å; V592-T594 VanDerWaalsContact C-N 3.34Å; V592-T594 VanDerWaalsContact CG1-OG1 3.25Å; V592-T594 WeakPolarHBondContact CG1-OG1 3.3Å; V592-F596 HydrophobicContact CG1-CZ 4.36Å; V592-F596 HydrophobicContact CG2-CD2 4.12Å; V592-F596 HydrophobicContact CG2-CE2 4.05Å
593	S	75.7	Confident	90.1	Very high	130 Å²	130	60.9 Å²	60.9	91%	0.909	34%	0.338	S	S	*	.	S	Bend	trans	-78.3	-14.8	178.9	52.5	0	0	0	0	114.5
594	T	74.4	Confident	90.1	Very high	73 Å²	73	52.2 Å²	52.2	45%	0.448	31%	0.31	S	S	.	.	S	Bend	trans	-87.6	151.2	-180	42.1	0	0	0	0	112.4	V592 F596	V592-T594 VanDerWaalsContact C-N 3.34Å; V592-T594 VanDerWaalsContact CG1-OG1 3.25Å; V592-T594 WeakPolarHBondContact CG1-OG1 3.3Å; T594-F596 PolarHBondContact O-N 2.87Å; T594-F596 VanDerWaalsContact OG1-CD1 3.28Å; T594-F596 WeakPolarHBondContact OG1-CD1 3.36Å; T594-F596 WeakPolarHBondContact OG1-CE1 3.38Å
595	S	89	Confident	90.1	Very high	92 Å²	92	49 Å²	49	64%	0.643	29%	0.289	S	S	*	.			trans	-64.3	102.4	169.6	50.3	0	0	0	0	110.2	T674	S595-T674 PolarHBondContact O-N 3.25Å; S595-T674 VanDerWaalsContact O-N 3.14Å; S595-T674 PolarHBondContact O-OG1 3.2Å
596	F	95.3	Very high	89.8	Confident	26 Å²	26	48.6 Å²	48.6	11%	0.114	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	141.7	176.7	-89.3	26.1	0	0	0	110.1	V592 T594 Y598 M652 R671 G672 P673	V592-F596 HydrophobicContact CG1-CZ 4.36Å; V592-F596 HydrophobicContact CG2-CD2 4.12Å; V592-F596 HydrophobicContact CG2-CE2 4.05Å; T594-F596 PolarHBondContact O-N 2.87Å; T594-F596 VanDerWaalsContact OG1-CD1 3.28Å; T594-F596 WeakPolarHBondContact OG1-CD1 3.36Å; T594-F596 WeakPolarHBondContact OG1-CE1 3.38Å; F596-Y598 HydrophobicContact CB-CD2 4.26Å; F596-Y598 HydrophobicContact CB-CE2 3.57Å; F596-Y598 WeakPolarHBondContact O-CD2 3.47Å; F596-Y598 WeakPolarHBondContact O-CE2 3.46Å; F596-M652 HydrophobicContact CZ-CE 4.32Å; F596-R671 HydrophobicContact CD2-CB 4.19Å; F596-R671 HydrophobicContact CD2-CG 4.01Å; F596-R671 HydrophobicContact CE2-CG 4.36Å; F596-G672 CarbonylContact C-O 3.37Å; F596-G672 WeakPolarHBondContact CA-O 3.44Å; F596-G672 VanDerWaalsContact CB-O 3.3Å; F596-G672 WeakPolarHBondContact CB-O 3.5Å; F596-G672 VanDerWaalsContact CG-O 3.32Å; F596-G672 WeakPolarHBondContact CG-O 3.25Å; F596-P673 HydrophobicContact CD1-CG 4.43Å; F596-P673 HydrophobicContact CE1-CB 4.31Å; F596-P673 HydrophobicContact CE1-CG 3.79Å; F596-P673 HydrophobicContact CZ-CG 4.24Å
597	V	96.3	Very high	89.3	Confident	20 Å²	20	52.7 Å²	52.7	12%	0.121	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	152.9	161	-72.4	0	0	0	0	109.8	R671 G672 T674 N677 C680 F755	V597-R671 VanDerWaalsContact O-CA 3.22Å; V597-R671 WeakPolarHBondContact O-CA 3.19Å; V597-R671 WeakPolarHBondContact O-CB 3.39Å; V597-G672 WeakPolarHBondContact CG2-O 3.45Å; V597-G672 PolarHBondContact N-O 3.44Å; V597-G672 PolarHBondContact O-N 2.98Å; V597-T674 HydrophobicContact CG1-CG2 4.11Å; V597-N677 HydrophobicContact CB-CB 4.42Å; V597-N677 HydrophobicContact CG1-CB 4.02Å; V597-N677 HydrophobicContact CG2-CB 3.76Å; V597-C680 HydrophobicContact CG2-CB 4.33Å; V597-F755 HydrophobicContact CB-CB 4.25Å; V597-F755 HydrophobicContact CB-CD1 4.24Å; V597-F755 WeakPolarHBondContact CG1-O 3.43Å; V597-F755 HydrophobicContact CG2-CB 4.22Å; V597-F755 HydrophobicContact CG2-CD1 4.01Å
598	Y	97.3	Very high	89.2	Confident	16 Å²	16	48.3 Å²	48.3	6%	0.063	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	142.7	-179.1	-70.2	-104	0	0	0	108.4	W589 F596 V670 R671 P711 L714 S715	W589-Y598 HydrophobicContact CZ2-CD1 4.45Å; F596-Y598 HydrophobicContact CB-CD2 4.26Å; F596-Y598 HydrophobicContact CB-CE2 3.57Å; F596-Y598 WeakPolarHBondContact O-CD2 3.47Å; F596-Y598 WeakPolarHBondContact O-CE2 3.46Å; Y598-V670 WeakPolarHBondContact CA-O 3.26Å; Y598-R671 HydrophobicContact CD1-CB 3.64Å; Y598-R671 HydrophobicContact CE1-CB 3.7Å; Y598-R671 VanDerWaalsContact CE1-CD 3.4Å; Y598-R671 HydrophobicContact CE1-CG 4.22Å; Y598-R671 HydrophobicContact CG-CB 4.1Å; Y598-R671 PolarHBondContact OH-NH1 2.83Å; Y598-P711 VanDerWaalsContact O-CB 3.27Å; Y598-P711 WeakPolarHBondContact O-CB 3.37Å; Y598-L714 HydrophobicContact CD1-CB 3.96Å; Y598-L714 HydrophobicContact CG-CB 4.22Å; Y598-S715 VanDerWaalsContact CD2-CB 3.45Å
599	A	97.4	Very high	89.2	Confident	1 Å²	1	47.5 Å²	47.5	1%	0.008	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	172.8	160	0	0	0	0	0	109.9	V670 L714 F755	A599-V670 PolarHBondContact N-O 3.4Å; A599-V670 PolarHBondContact O-N 3.12Å; A599-L714 VanDerWaalsContact C-CD1 3.45Å; A599-L714 WeakPolarHBondContact O-CD1 3.36Å; A599-F755 HydrophobicContact CB-CD1 3.9Å; A599-F755 HydrophobicContact CB-CD2 4.09Å; A599-F755 HydrophobicContact CB-CE1 3.5Å; A599-F755 VanDerWaalsContact CB-CE1 3.5Å; A599-F755 HydrophobicContact CB-CE2 3.69Å; A599-F755 HydrophobicContact CB-CG 4.19Å; A599-F755 HydrophobicContact CB-CZ 3.4Å
600	G	97.5	Very high	89.1	Confident	0 Å²	0	48.5 Å²	48.5	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-171.5	162.8	173.2	0	0	0	0	0	113.2	L668 L709	G600-L668 CarbonylContact C-O 3.55Å; G600-L668 WeakPolarHBondContact CA-O 3.27Å; G600-L709 PolarHBondContact O-N 3.27Å
601	I	97	Very high	88.9	Confident	0 Å²	0	46.1 Å²	46.1	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	135.2	-176.8	-173.6	171.3	0	0	0	109.7	L603 E667 L668 F684 L688 R706 H707 F708	I601-L603 HydrophobicContact CD1-CD2 3.8Å; I601-L603 HydrophobicContact CG1-CD2 4.09Å; I601-E667 CarbonylContact O-C 3.32Å; I601-E667 WeakPolarHBondContact O-CA 3.44Å; I601-L668 HydrophobicContact CG2-CB 3.94Å; I601-L668 HydrophobicContact CG2-CD2 4.37Å; I601-L668 PolarHBondContact N-O 3.07Å; I601-L668 PolarHBondContact O-N 2.9Å; I601-F684 HydrophobicContact CB-CE2 4.27Å; I601-F684 HydrophobicContact CB-CZ 3.85Å; I601-F684 HydrophobicContact CG2-CE2 3.64Å; I601-F684 HydrophobicContact CG2-CZ 3.48Å; I601-F684 VanDerWaalsContact CG2-CZ 3.48Å; I601-L688 HydrophobicContact CD1-CD1 4.27Å; I601-L688 HydrophobicContact CD1-CD2 4.23Å; I601-L688 HydrophobicContact CG2-CD1 4.5Å; I601-R706 HydrophobicContact CD1-CB 3.71Å; I601-R706 HydrophobicContact CD1-CG 3.77Å; I601-H707 CarbonylContact C-O 3.6Å; I601-H707 WeakPolarHBondContact CA-O 3.42Å; I601-F708 HydrophobicContact CD1-CE1 4.39Å; I601-F708 HydrophobicContact CD1-CE2 4.1Å; I601-F708 HydrophobicContact CD1-CZ 3.91Å
602	R	95.9	Very high	88.9	Confident	47 Å²	47	42.2 Å²	42.2	18%	0.177	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	115.8	169	-170.7	-179.4	-67.2	162.6	5.3	108.2	V604 C665 L666 E667 H707	R602-V604 HydrophobicContact CG-CG2 3.9Å; R602-C665 HydrophobicContact CG-CB 3.95Å; R602-L666 CarbonylContact C-O 3.48Å; R602-L666 VanDerWaalsContact CA-O 3.27Å; R602-L666 WeakPolarHBondContact CA-O 3.47Å; R602-L666 WeakPolarHBondContact CG-O 3.35Å; R602-E667 HydrophobicContact CB-CG 4.44Å; R602-E667 HydrophobicContact CG-CB 4.49Å; R602-E667 IonicContact CZ-OE2 2.81Å; R602-E667 IonicContact NE-OE2 3.4Å; R602-E667 PolarHBondContact NE-OE2 2.86Å; R602-E667 IonicContact NH2-OE2 3.2Å; R602-E667 PolarHBondContact NH2-OE2 2.92Å; R602-H707 HydrophobicContact CB-CB 4.34Å; R602-H707 PolarHBondContact N-O 3.17Å; R602-H707 WeakPolarHBondContact O-CB 3.24Å; R602-H707 PolarHBondContact O-N 2.73Å
603	L	95.2	Very high	89.2	Confident	2 Å²	2	39.7 Å²	39.7	1%	0.01	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	111.7	176	-61.3	171.8	0	0	0	108.1	I601 C665 L666 L688 I691 L704 R706	I601-L603 HydrophobicContact CD1-CD2 3.8Å; I601-L603 HydrophobicContact CG1-CD2 4.09Å; L603-C665 WeakPolarHBondContact O-CB 3.09Å; L603-L666 HydrophobicContact CB-CB 4.34Å; L603-L666 PolarHBondContact N-O 2.97Å; L603-L666 PolarHBondContact O-N 2.82Å; L603-L666 VanDerWaalsContact O-N 3.15Å; L603-L688 HydrophobicContact CD1-CD1 3.91Å; L603-L688 HydrophobicContact CD2-CD1 3.95Å; L603-L688 HydrophobicContact CG-CD1 4.41Å; L603-I691 HydrophobicContact CD1-CB 4.33Å; L603-I691 HydrophobicContact CD1-CD1 4.42Å; L603-I691 HydrophobicContact CD1-CG2 3.56Å; L603-L704 HydrophobicContact CB-CB 4.42Å; L603-L704 HydrophobicContact CB-CD1 4.14Å; L603-L704 HydrophobicContact CD1-CD1 4.2Å; L603-L704 HydrophobicContact CD2-CB 4.49Å; L603-R706 HydrophobicContact CD2-CG 4.11Å
604	V	92.6	Very high	89.9	Confident	39 Å²	39	38.6 Å²	38.6	24%	0.236	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	119.7	-174.7	-176.8	0	0	0	0	108.2	R602 C665 E705	R602-V604 HydrophobicContact CG-CG2 3.9Å; V604-C665 HydrophobicContact CG2-CB 4.2Å; V604-E705 HydrophobicContact CB-CB 4.46Å; V604-E705 PolarHBondContact N-O 3.07Å; V604-E705 VanDerWaalsContact N-O 3.11Å; V604-E705 WeakPolarHBondContact O-CB 3.43Å; V604-E705 PolarHBondContact O-N 3.45Å
605	P	90.7	Very high	90.6	Very high	6 Å²	6	35.8 Å²	35.8	4%	0.039	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	159.6	176.7	34.3	-39.5	0	0	0	110.7	M609 D610 V613 H664 I702 L703 L704	P605-M609 HydrophobicContact CB-CB 4.15Å; P605-D610 HydrophobicContact CG-CB 4.35Å; P605-V613 HydrophobicContact CB-CG2 4.25Å; P605-V613 HydrophobicContact CG-CG2 3.5Å; P605-V613 VanDerWaalsContact CG-CG2 3.5Å; P605-H664 WeakPolarHBondContact CD-O 3.49Å; P605-I702 HydrophobicContact CB-CD1 3.74Å; P605-I702 HydrophobicContact CB-CG1 4.12Å; P605-L703 WeakPolarHBondContact CA-O 3.28Å; P605-L704 HydrophobicContact CB-CD2 4.14Å
606	R	82.1	Confident	90.8	Very high	39 Å²	39	31.7 Å²	31.7	15%	0.147	15%	0.145	C	C	.	.	S	Bend	trans	-53.2	146.8	171.2	-76.2	177.4	155.5	-115.2	7.5	112.5	G608 M609 L703 E782 S863	R606-G608 PolarHBondContact O-N 3.12Å; R606-M609 HydrophobicContact CB-SD 4.41Å; R606-M609 WeakPolarHBondContact O-CB 3.47Å; R606-M609 PolarHBondContact O-N 2.95Å; R606-L703 HydrophobicContact CG-CB 4.24Å; R606-L703 PolarHBondContact N-O 2.92Å; R606-E782 IonicContact CZ-OE1 3.22Å; R606-E782 IonicContact CZ-OE2 3.62Å; R606-E782 IonicContact NH1-OE1 2.7Å; R606-E782 PolarHBondContact NH1-OE1 3.13Å; R606-E782 IonicContact NH1-OE2 3.97Å; R606-E782 PolarHBondContact NH1-OE2 3.04Å; R606-E782 IonicContact NH2-OE1 3.74Å; R606-E782 IonicContact NH2-OE2 3.38Å; R606-E782 PolarHBondContact NH2-OE2 3.12Å; R606-S863 PolarHBondContact NH2-OG 2.88Å
607	R	77.1	Confident	90.8	Very high	195 Å²	195	30.5 Å²	30.5	74%	0.736	14%	0.14	S	C	*	.	T	Hydrogen-bonded Turn	trans	-48.7	121.2	-173.4	-69.1	177.9	170.4	168.1	-3.3	113	R386	R386-R607 PolarHBondContact NH2-O 3.06Å
608	G	80.8	Confident	90.7	Very high	13 Å²	13	30.6 Å²	30.6	13%	0.134	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	83.4	20.1	-179.4	0	0	0	0	0	114.6	S325 R606 D610 H611	S325-G608 VanDerWaalsContact CB-O 3.24Å; S325-G608 WeakPolarHBondContact CB-O 3.5Å; S325-G608 PolarHBondContact OG-O 3.21Å; R606-G608 PolarHBondContact O-N 3.12Å; G608-D610 WeakPolarHBondContact CA-OD1 3.43Å; G608-D610 PolarHBondContact N-OD1 2.91Å; G608-H611 PolarHBondContact O-CE1 3.32Å; G608-H611 VanDerWaalsContact O-CE1 3.25Å
609	M	87.9	Confident	90.5	Very high	10 Å²	10	30.3 Å²	30.3	5%	0.049	14%	0.138	C	C	.	.			trans	-119.5	5.4	165.1	-71.9	168.9	152.3	0	0	111.6	K328 P605 R606 H611 L612 I702	K328-M609 HydrophobicContact CB-CE 3.94Å; K328-M609 HydrophobicContact CD-CE 3.83Å; K328-M609 HydrophobicContact CG-CE 3.71Å; P605-M609 HydrophobicContact CB-CB 4.15Å; R606-M609 HydrophobicContact CB-SD 4.41Å; R606-M609 WeakPolarHBondContact O-CB 3.47Å; R606-M609 PolarHBondContact O-N 2.95Å; M609-H611 PolarHBondContact O-N 3.3Å; M609-L612 HydrophobicContact CB-CD1 4.01Å; M609-L612 HydrophobicContact CG-CD1 4.14Å; M609-L612 VanDerWaalsContact O-CB 3.31Å; M609-L612 WeakPolarHBondContact O-CB 3.31Å; M609-L612 PolarHBondContact O-N 3.34Å; M609-I702 HydrophobicContact CB-CD1 4.05Å; M609-I702 HydrophobicContact CB-CG1 4.16Å; M609-I702 HydrophobicContact SD-CG1 3.89Å
610	D	86.7	Confident	90.4	Very high	53 Å²	53	30.2 Å²	30.2	28%	0.283	14%	0.138	S	C	.	.	G	3₁₀ helix	trans	-56.5	-29.5	176.9	44.1	-84.6	0	0	0	114.2	P605 G608 L612 H664	P605-D610 HydrophobicContact CG-CB 4.35Å; G608-D610 WeakPolarHBondContact CA-OD1 3.43Å; G608-D610 PolarHBondContact N-OD1 2.91Å; D610-L612 PolarHBondContact O-N 2.98Å; D610-H664 HydrophobicContact CB-CB 3.94Å; D610-H664 IonicContact OD2-CE1 2.77Å; D610-H664 IonicContact OD2-ND1 3.19Å
611	H	84.9	Confident	90.3	Very high	50 Å²	50	30.4 Å²	30.4	23%	0.231	14%	0.138	C	C	.	.	G	3₁₀ helix	trans	-70	-14.7	173.8	58.7	-92	0	0	0	114.7	F322 G608 M609	F322-H611 HydrophobicContact CD2-CB 4.02Å; F322-H611 AromaticContact CD2-CD2 3.19Å; F322-H611 WeakPolarHBondContact CD2-CD2 3.47Å; F322-H611 AromaticContact CD2-CG 3.57Å; F322-H611 AromaticContact CD2-NE2 3.61Å; F322-H611 HydrophobicContact CE2-CB 4.01Å; F322-H611 AromaticContact CE2-CD2 3.19Å; F322-H611 WeakPolarHBondContact CE2-CD2 3.37Å; F322-H611 AromaticContact CE2-CG 3.79Å; F322-H611 AromaticContact CE2-NE2 3.96Å; F322-H611 PolarHBondContact O-NE2 2.96Å; G608-H611 PolarHBondContact O-CE1 3.32Å; G608-H611 VanDerWaalsContact O-CE1 3.25Å; M609-H611 PolarHBondContact O-N 3.3Å
612	L	88.6	Confident	90.1	Very high	17 Å²	17	30.7 Å²	30.7	9%	0.089	14%	0.14	C	C	.	.	G	3₁₀ helix	trans	-83.9	-20.9	-178.8	-56.9	175.4	0	0	0	112.7	L326 S329 M609 D610 R614 G615 L616 I702	L326-L612 HydrophobicContact CB-CD2 4.09Å; L326-L612 HydrophobicContact CD1-CD2 3.63Å; L326-L612 HydrophobicContact CG-CD2 4.46Å; S329-L612 WeakPolarHBondContact OG-CD1 3.36Å; M609-L612 HydrophobicContact CB-CD1 4.01Å; M609-L612 HydrophobicContact CG-CD1 4.14Å; M609-L612 VanDerWaalsContact O-CB 3.31Å; M609-L612 WeakPolarHBondContact O-CB 3.31Å; M609-L612 PolarHBondContact O-N 3.34Å; D610-L612 PolarHBondContact O-N 2.98Å; L612-R614 PolarHBondContact O-N 2.85Å; L612-G615 PolarHBondContact O-N 3.27Å; L612-L616 PolarHBondContact O-N 3.01Å; L612-L616 VanDerWaalsContact O-N 3.16Å; L612-I702 HydrophobicContact CB-CD1 4.33Å; L612-I702 HydrophobicContact CD1-CD1 4.13Å
613	V	91.8	Very high	90	Very high	4 Å²	4	29.6 Å²	29.6	2%	0.024	14%	0.138	C	C	.	.	H	α-helix	trans	-64.7	-36.2	-169	-179.6	0	0	0	0	112.7	P605 G615 L616 F617 L659 E663 L666	P605-V613 HydrophobicContact CB-CG2 4.25Å; P605-V613 HydrophobicContact CG-CG2 3.5Å; P605-V613 VanDerWaalsContact CG-CG2 3.5Å; V613-G615 VanDerWaalsContact C-N 3.25Å; V613-G615 PolarHBondContact O-N 2.65Å; V613-L616 PolarHBondContact O-N 2.93Å; V613-F617 WeakPolarHBondContact O-CB 3.33Å; V613-F617 PolarHBondContact O-N 2.86Å; V613-L659 HydrophobicContact CG1-CD1 3.88Å; V613-E663 WeakPolarHBondContact CB-O 3.35Å; V613-L666 HydrophobicContact CG1-CD2 3.46Å; V613-L666 VanDerWaalsContact CG1-CD2 3.46Å; V613-L666 HydrophobicContact CG1-CG 3.72Å
614	R	90.3	Very high	89.9	Confident	108 Å²	108	30.1 Å²	30.1	41%	0.408	14%	0.14	S	C	.	.	H	α-helix	trans	-52.5	-44.3	170.4	-174.7	-157.1	179.3	97.4	5.8	112	L612 L618 L659 E663	L612-R614 PolarHBondContact O-N 2.85Å; R614-L618 PolarHBondContact O-N 3.42Å; R614-L659 HydrophobicContact CG-CD2 4.36Å; R614-E663 HydrophobicContact CB-CB 4.14Å; R614-E663 WeakPolarHBondContact CD-OE2 3.44Å; R614-E663 WeakPolarHBondContact CG-OE2 3.39Å; R614-E663 IonicContact CZ-OE1 3.11Å; R614-E663 IonicContact CZ-OE2 3.72Å; R614-E663 IonicContact NE-OE2 3.51Å; R614-E663 IonicContact NH1-OE1 3.64Å; R614-E663 PolarHBondContact NH1-OE1 3.19Å; R614-E663 IonicContact NH1-OE2 3.52Å; R614-E663 PolarHBondContact NH1-OE2 3.11Å
615	G	89.4	Confident	89.8	Confident	14 Å²	14	30.1 Å²	30.1	14%	0.144	14%	0.136	C	C	.	.	H	α-helix	trans	-69.6	-44.3	-178.8	0	0	0	0	0	112	F290 L612 V613 F617 L618	F290-G615 VanDerWaalsContact CB-CA 3.46Å; L612-G615 PolarHBondContact O-N 3.27Å; V613-G615 VanDerWaalsContact C-N 3.25Å; V613-G615 PolarHBondContact O-N 2.65Å; G615-F617 VanDerWaalsContact C-N 3.31Å; G615-F617 PolarHBondContact O-N 3.28Å; G615-L618 PolarHBondContact O-N 2.93Å
616	L	92.1	Very high	89.7	Confident	5 Å²	5	30.6 Å²	30.6	3%	0.026	14%	0.137	C	C	.	.	H	α-helix	trans	-61.1	-38.7	175.3	-63.1	171.1	0	0	0	112	L612 V613 L618 R619 V620 V695 V698 I702	L612-L616 PolarHBondContact O-N 3.01Å; L612-L616 VanDerWaalsContact O-N 3.16Å; V613-L616 PolarHBondContact O-N 2.93Å; L616-L618 PolarHBondContact O-N 3.43Å; L616-R619 WeakPolarHBondContact O-CB 3.47Å; L616-R619 PolarHBondContact O-N 3.41Å; L616-R619 VanDerWaalsContact O-N 3.14Å; L616-V620 WeakPolarHBondContact O-CG2 3.3Å; L616-V620 PolarHBondContact O-N 3.42Å; L616-V695 HydrophobicContact CB-CG2 4.21Å; L616-V695 HydrophobicContact CD1-CG1 4.04Å; L616-V695 HydrophobicContact CD1-CG2 4.22Å; L616-V695 HydrophobicContact CD2-CG1 4.43Å; L616-V695 HydrophobicContact CD2-CG2 4.32Å; L616-V695 HydrophobicContact CG-CG2 4.48Å; L616-V698 HydrophobicContact CD2-CB 4.03Å; L616-V698 HydrophobicContact CD2-CG1 3.71Å; L616-I702 HydrophobicContact CD1-CD1 3.8Å; L616-I702 HydrophobicContact CD1-CG2 4.41Å
617	F	94.9	Very high	89.9	Confident	1 Å²	1	31.7 Å²	31.7	0%	0.004	15%	0.15	C	C	.	.	H	α-helix	trans	-58.1	-43.7	177.7	-177.9	-110.5	0	0	0	112.8	V613 G615 R619 V620 Q621 L657 L659 L666	V613-F617 WeakPolarHBondContact O-CB 3.33Å; V613-F617 PolarHBondContact O-N 2.86Å; G615-F617 VanDerWaalsContact C-N 3.31Å; G615-F617 PolarHBondContact O-N 3.28Å; F617-R619 VanDerWaalsContact C-N 3.28Å; F617-R619 PolarHBondContact O-N 3.3Å; F617-V620 WeakPolarHBondContact O-CB 3.42Å; F617-V620 PolarHBondContact O-N 3.46Å; F617-V620 VanDerWaalsContact O-N 3.14Å; F617-Q621 HydrophobicContact CD1-CG 4.21Å; F617-Q621 HydrophobicContact CE1-CG 3.71Å; F617-Q621 HydrophobicContact CE2-CG 4.14Å; F617-Q621 HydrophobicContact CZ-CG 3.65Å; F617-Q621 WeakPolarHBondContact O-CG 3.33Å; F617-Q621 PolarHBondContact O-N 2.91Å; F617-L657 HydrophobicContact CD2-CD2 4.34Å; F617-L657 HydrophobicContact CE2-CD2 3.88Å; F617-L657 HydrophobicContact CE2-CG 4.03Å; F617-L659 HydrophobicContact CB-CD1 4.23Å; F617-L659 HydrophobicContact CB-CD2 4.18Å; F617-L659 HydrophobicContact CD1-CB 4.14Å; F617-L659 HydrophobicContact CD1-CD2 3.82Å; F617-L659 HydrophobicContact CD2-CB 4.35Å; F617-L659 HydrophobicContact CE1-CB 4.35Å; F617-L659 HydrophobicContact CG-CB 4.14Å; F617-L659 HydrophobicContact CG-CD1 4.47Å; F617-L659 HydrophobicContact CG-CD2 4.1Å; F617-L659 HydrophobicContact CG-CG 4.47Å; F617-L666 HydrophobicContact CB-CD2 3.9Å; F617-L666 HydrophobicContact CD2-CD2 3.73Å; F617-L666 HydrophobicContact CG-CD2 4.19Å
618	L	94.3	Very high	90.3	Very high	23 Å²	23	24.2 Å²	24.2	12%	0.12	13%	0.125	C	C	.	.	H	α-helix	trans	-61.7	-37.2	177.7	-63.5	174.3	0	0	0	111.8	F290 R614 G615 L616 Q621 N622	F290-L618 HydrophobicContact CB-CD1 4.2Å; F290-L618 HydrophobicContact CD1-CD1 3.99Å; F290-L618 HydrophobicContact CD2-CB 4.34Å; F290-L618 HydrophobicContact CD2-CD1 4.04Å; F290-L618 HydrophobicContact CE1-CD1 4.39Å; F290-L618 HydrophobicContact CE2-CD1 4.42Å; F290-L618 HydrophobicContact CG-CD1 3.81Å; R614-L618 PolarHBondContact O-N 3.42Å; G615-L618 PolarHBondContact O-N 2.93Å; L616-L618 PolarHBondContact O-N 3.43Å; L618-Q621 PolarHBondContact O-N 3.09Å; L618-N622 PolarHBondContact O-N 2.72Å; L618-N622 VanDerWaalsContact O-N 3.14Å; L618-N622 PolarHBondContact O-OD1 3.18Å
619	R	93.7	Very high	90.4	Very high	9 Å²	9	27 Å²	27	3%	0.034	13%	0.134	C	C	.	.	H	α-helix	trans	-67.9	-38.7	175.5	-54.3	-66.3	-161	152.8	3.4	111.6	F290 D293 V560 G561 L616 F617 N622 N623 T694 V698	F290-R619 PolarHBondContact O-NE 2.9Å; F290-R619 VanDerWaalsContact O-NE 3.11Å; F290-R619 PolarHBondContact O-NH2 3.47Å; D293-R619 VanDerWaalsContact CG-NH2 3.31Å; D293-R619 IonicContact OD1-CZ 2.79Å; D293-R619 IonicContact OD1-NH2 2.68Å; D293-R619 PolarHBondContact OD1-NH2 3Å; D293-R619 IonicContact OD2-CZ 3.99Å; D293-R619 IonicContact OD2-NH2 3.15Å; D293-R619 PolarHBondContact OD2-NH2 2.83Å; D293-R619 VanDerWaalsContact OD2-NH2 3.11Å; V560-R619 PolarHBondContact O-NH1 3.37Å; V560-R619 PolarHBondContact O-NH2 3.26Å; G561-R619 VanDerWaalsContact CA-NH1 3.25Å; G561-R619 PolarHBondContact O-NH1 3.29Å; L616-R619 WeakPolarHBondContact O-CB 3.47Å; L616-R619 PolarHBondContact O-N 3.41Å; L616-R619 VanDerWaalsContact O-N 3.14Å; F617-R619 VanDerWaalsContact C-N 3.28Å; F617-R619 PolarHBondContact O-N 3.3Å; R619-N622 WeakPolarHBondContact O-CB 3.35Å; R619-N622 PolarHBondContact O-N 3.03Å; R619-N623 PolarHBondContact O-N 2.84Å; R619-T694 HydrophobicContact CB-CG2 3.71Å; R619-V698 HydrophobicContact CB-CG2 4.06Å; R619-V698 HydrophobicContact CG-CG1 4.11Å; R619-V698 HydrophobicContact CG-CG2 3.87Å
620	V	94.9	Very high	89.9	Confident	0 Å²	0	32.5 Å²	32.5	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-65.1	-39.1	173.5	172.1	0	0	0	0	111.2	L616 F617 N622 N623 L624 L657 L690 I691 T694	L616-V620 WeakPolarHBondContact O-CG2 3.3Å; L616-V620 PolarHBondContact O-N 3.42Å; F617-V620 WeakPolarHBondContact O-CB 3.42Å; F617-V620 PolarHBondContact O-N 3.46Å; F617-V620 VanDerWaalsContact O-N 3.14Å; V620-N622 PolarHBondContact O-N 3.38Å; V620-N623 PolarHBondContact O-N 3.29Å; V620-L624 HydrophobicContact CG1-CD1 3.98Å; V620-L624 HydrophobicContact CG1-CG 4.28Å; V620-L624 WeakPolarHBondContact O-CB 3.33Å; V620-L624 WeakPolarHBondContact O-CG 3.43Å; V620-L624 PolarHBondContact O-N 3.31Å; V620-L657 HydrophobicContact CG1-CD2 3.55Å; V620-L690 HydrophobicContact CG1-CD2 4.28Å; V620-I691 HydrophobicContact CG1-CG1 3.85Å; V620-I691 HydrophobicContact CG2-CG1 4.48Å; V620-I691 HydrophobicContact CG2-CG2 4.23Å; V620-T694 HydrophobicContact CB-CG2 4.5Å; V620-T694 HydrophobicContact CG2-CG2 3.75Å
621	Q	95.2	Very high	89.3	Confident	3 Å²	3	32 Å²	32	1%	0.014	16%	0.161	C	C	.	.	H	α-helix	trans	-60.6	-44.5	175	-70.8	-169.5	-73.7	0	0	111.9	F617 L618 R625 Q641 W642 G645 S646	F617-Q621 HydrophobicContact CD1-CG 4.21Å; F617-Q621 HydrophobicContact CE1-CG 3.71Å; F617-Q621 HydrophobicContact CE2-CG 4.14Å; F617-Q621 HydrophobicContact CZ-CG 3.65Å; F617-Q621 WeakPolarHBondContact O-CG 3.33Å; F617-Q621 PolarHBondContact O-N 2.91Å; L618-Q621 PolarHBondContact O-N 3.09Å; Q621-R625 PolarHBondContact O-N 3.08Å; Q621-Q641 PolarHBondContact O-NE2 3.28Å; Q621-W642 PolarHBondContact NE2-O 2.73Å; Q621-W642 VanDerWaalsContact NE2-O 3.17Å; Q621-G645 PolarHBondContact NE2-O 2.9Å; Q621-S646 PolarHBondContact NE2-OG 3.31Å
622	N	93.5	Very high	88.4	Confident	7 Å²	7	39.9 Å²	39.9	4%	0.037	19%	0.194	C	C	.	.	H	α-helix	trans	-57.1	-52.1	172.6	-64.7	-2.7	0	0	0	111.3	G561 G563 T564 S577 L618 R619 V620 L624 R625 R626	G561-N622 PolarHBondContact O-ND2 3.19Å; G561-N622 VanDerWaalsContact O-ND2 3.12Å; G563-N622 PolarHBondContact O-ND2 3.49Å; T564-N622 HydrophobicContact CG2-CB 3.68Å; T564-N622 WeakPolarHBondContact CG2-O 3.37Å; S577-N622 WeakPolarHBondContact CB-OD1 3.5Å; S577-N622 PolarHBondContact OG-OD1 3.08Å; L618-N622 PolarHBondContact O-N 2.72Å; L618-N622 VanDerWaalsContact O-N 3.14Å; L618-N622 PolarHBondContact O-OD1 3.18Å; R619-N622 WeakPolarHBondContact O-CB 3.35Å; R619-N622 PolarHBondContact O-N 3.03Å; V620-N622 PolarHBondContact O-N 3.38Å; N622-L624 PolarHBondContact O-N 2.87Å; N622-R625 WeakPolarHBondContact O-CB 3.24Å; N622-R625 PolarHBondContact O-N 3.49Å; N622-R625 VanDerWaalsContact O-N 3.14Å; N622-R626 PolarHBondContact O-N 2.92Å
623	N	92.6	Very high	87.4	Confident	24 Å²	24	43.4 Å²	43.4	13%	0.128	21%	0.213	C	C	.	.	H	α-helix	trans	-66.1	-36.3	-175.5	-78.6	-12.3	0	0	0	113.1	R619 V620 R625 R626 C627 L690 T694	R619-N623 PolarHBondContact O-N 2.84Å; V620-N623 PolarHBondContact O-N 3.29Å; N623-R625 VanDerWaalsContact C-N 3.31Å; N623-R625 PolarHBondContact O-N 3.33Å; N623-R626 PolarHBondContact O-N 3.15Å; N623-R626 PolarHBondContact OD1-NH1 3.36Å; N623-C627 WeakPolarHBondContact O-CB 3.36Å; N623-C627 PolarHBondContact O-N 2.89Å; N623-C627 PolarHBondContact O-SG 2.93Å; N623-L690 HydrophobicContact CB-CD2 4.06Å; N623-L690 HydrophobicContact CB-CG 4.47Å; N623-T694 WeakPolarHBondContact ND2-CG2 3.37Å; N623-T694 PolarHBondContact ND2-OG1 3.22Å
624	L	93	Very high	85.9	Confident	12 Å²	12	46.8 Å²	46.8	6%	0.063	24%	0.235	C	C	.	.	H	α-helix	trans	-58.1	-42.2	171.7	-75.9	169.2	0	0	0	112.1	V620 N622 L628 L639 V648 L657 I687 L690	V620-L624 HydrophobicContact CG1-CD1 3.98Å; V620-L624 HydrophobicContact CG1-CG 4.28Å; V620-L624 WeakPolarHBondContact O-CB 3.33Å; V620-L624 WeakPolarHBondContact O-CG 3.43Å; V620-L624 PolarHBondContact O-N 3.31Å; N622-L624 PolarHBondContact O-N 2.87Å; L624-L628 PolarHBondContact O-N 3.18Å; L624-L639 HydrophobicContact CB-CD1 4.41Å; L624-V648 HydrophobicContact CD2-CG2 4.31Å; L624-L657 HydrophobicContact CD1-CD2 4.01Å; L624-I687 HydrophobicContact CD2-CG2 4.43Å; L624-L690 HydrophobicContact CD2-CD1 4.09Å; L624-L690 HydrophobicContact CD2-CD2 3.94Å; L624-L690 HydrophobicContact CG-CD2 3.93Å
625	R	91.6	Very high	84.5	Confident	39 Å²	39	49.9 Å²	49.9	15%	0.147	26%	0.259	C	S	.	.	H	α-helix	trans	-66.7	-50.4	177.5	174.8	137.8	-79.2	147.1	3.8	111.9	T564 E575 Q621 N622 N623 C627 L628 Q629 L639 Q641	T564-R625 WeakPolarHBondContact OG1-CD 3.46Å; T564-R625 WeakPolarHBondContact OG1-CG 3.22Å; E575-R625 VanDerWaalsContact CD-NH1 3.27Å; E575-R625 IonicContact OE1-NH1 2.7Å; E575-R625 PolarHBondContact OE1-NH1 2.96Å; E575-R625 IonicContact OE2-CZ 3.45Å; E575-R625 IonicContact OE2-NH1 2.73Å; E575-R625 PolarHBondContact OE2-NH1 3.06Å; Q621-R625 PolarHBondContact O-N 3.08Å; N622-R625 WeakPolarHBondContact O-CB 3.24Å; N622-R625 PolarHBondContact O-N 3.49Å; N622-R625 VanDerWaalsContact O-N 3.14Å; N623-R625 VanDerWaalsContact C-N 3.31Å; N623-R625 PolarHBondContact O-N 3.33Å; R625-C627 PolarHBondContact O-N 3.39Å; R625-L628 PolarHBondContact O-N 3.11Å; R625-Q629 WeakPolarHBondContact O-CG 3.37Å; R625-Q629 PolarHBondContact O-N 2.62Å; R625-Q629 VanDerWaalsContact O-N 3.09Å; R625-Q629 PolarHBondContact O-OE1 2.94Å; R625-L639 VanDerWaalsContact CA-CD2 3.49Å; R625-L639 HydrophobicContact CB-CD2 3.94Å; R625-L639 PolarHBondContact NH2-O 3.41Å; R625-Q641 VanDerWaalsContact CZ-OE1 3.23Å
626	R	88.6	Confident	84.1	Confident	16 Å²	16	52.9 Å²	52.9	6%	0.06	27%	0.272	C	S	.	.	H	α-helix	trans	-58.1	-47.9	178.9	-174.3	-168.4	-71.8	151.9	-23.7	112.2	D496 E558 N622 N623 L628 Q629 Q630	D496-R626 IonicContact OD2-CZ 2.8Å; D496-R626 VanDerWaalsContact OD2-CZ 3.27Å; D496-R626 IonicContact OD2-NH1 3.94Å; D496-R626 PolarHBondContact OD2-NH1 3.28Å; D496-R626 IonicContact OD2-NH2 2.92Å; D496-R626 PolarHBondContact OD2-NH2 2.8Å; E558-R626 IonicContact OE1-CZ 2.65Å; E558-R626 VanDerWaalsContact OE1-CZ 3.27Å; E558-R626 IonicContact OE1-NE 2.59Å; E558-R626 PolarHBondContact OE1-NE 2.99Å; E558-R626 IonicContact OE1-NH2 2.9Å; E558-R626 PolarHBondContact OE1-NH2 3.41Å; N622-R626 PolarHBondContact O-N 2.92Å; N623-R626 PolarHBondContact O-N 3.15Å; N623-R626 PolarHBondContact OD1-NH1 3.36Å; R626-L628 VanDerWaalsContact C-N 3.33Å; R626-L628 PolarHBondContact O-N 3.31Å; R626-Q629 PolarHBondContact O-N 3.14Å; R626-Q630 WeakPolarHBondContact O-CG 3.23Å; R626-Q630 PolarHBondContact O-N 3.38Å; R626-Q630 VanDerWaalsContact O-N 3.08Å
627	C	86.7	Confident	83.8	Confident	63 Å²	63	53.5 Å²	53.5	43%	0.426	28%	0.276	S	S	.	.	H	α-helix	trans	-65	-35.2	-179.1	-69.5	0	0	0	0	112.6	N623 R625 Q630 S631 L690	N623-C627 WeakPolarHBondContact O-CB 3.36Å; N623-C627 PolarHBondContact O-N 2.89Å; N623-C627 PolarHBondContact O-SG 2.93Å; R625-C627 PolarHBondContact O-N 3.39Å; C627-Q630 PolarHBondContact O-N 2.69Å; C627-S631 PolarHBondContact O-N 3.5Å; C627-L690 HydrophobicContact CB-CD1 3.94Å
628	L	83.8	Confident	83.6	Confident	37 Å²	37	59.8 Å²	59.8	19%	0.194	31%	0.305	C	S	.	.	H	α-helix	trans	-66	-44.6	173.7	177	57.8	0	0	0	112.1	L624 R625 R626 Q630 S631 T637 L639	L624-L628 PolarHBondContact O-N 3.18Å; R625-L628 PolarHBondContact O-N 3.11Å; R626-L628 VanDerWaalsContact C-N 3.33Å; R626-L628 PolarHBondContact O-N 3.31Å; L628-Q630 PolarHBondContact O-N 2.89Å; L628-S631 VanDerWaalsContact O-CB 3.24Å; L628-S631 WeakPolarHBondContact O-CB 3.46Å; L628-S631 PolarHBondContact O-N 2.87Å; L628-S631 PolarHBondContact O-OG 3.45Å; L628-T637 HydrophobicContact CD1-CG2 3.66Å; L628-T637 WeakPolarHBondContact CD1-O 3.47Å; L628-L639 HydrophobicContact CD2-CB 3.41Å; L628-L639 VanDerWaalsContact CD2-CB 3.41Å; L628-L639 HydrophobicContact CD2-CD2 4.22Å; L628-L639 HydrophobicContact CD2-CG 4.47Å
629	Q	83	Confident	83.6	Confident	72 Å²	72	59.7 Å²	59.7	34%	0.336	31%	0.305	S	S	.	.	H	α-helix	trans	-63.5	-29	178.7	-68.2	161.9	-34.4	0	0	112.9	V565 R625 R626 S631	V565-Q629 PolarHBondContact O-NE2 3.27Å; V565-Q629 PolarHBondContact O-OE1 2.68Å; R625-Q629 WeakPolarHBondContact O-CG 3.37Å; R625-Q629 PolarHBondContact O-N 2.62Å; R625-Q629 VanDerWaalsContact O-N 3.09Å; R625-Q629 PolarHBondContact O-OE1 2.94Å; R626-Q629 PolarHBondContact O-N 3.14Å; Q629-S631 VanDerWaalsContact C-N 3.34Å
630	Q	78.5	Confident	83.6	Confident	125 Å²	125	62.7 Å²	62.7	58%	0.584	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.8	-4.3	175.4	-67.2	177.5	-3.8	0	0	113.5	R626 C627 L628	R626-Q630 WeakPolarHBondContact O-CG 3.23Å; R626-Q630 PolarHBondContact O-N 3.38Å; R626-Q630 VanDerWaalsContact O-N 3.08Å; C627-Q630 PolarHBondContact O-N 2.69Å; L628-Q630 PolarHBondContact O-N 2.89Å
631	S	74.1	Confident	83.5	Confident	43 Å²	43	63.4 Å²	63.4	30%	0.301	32%	0.324	S	S	.	.			trans	-71	146.3	-179.1	76.6	0	0	0	0	112.2	C627 L628 Q629 N633	C627-S631 PolarHBondContact O-N 3.5Å; L628-S631 VanDerWaalsContact O-CB 3.24Å; L628-S631 WeakPolarHBondContact O-CB 3.46Å; L628-S631 PolarHBondContact O-N 2.87Å; L628-S631 PolarHBondContact O-OG 3.45Å; Q629-S631 VanDerWaalsContact C-N 3.34Å; S631-N633 VanDerWaalsContact C-N 3.25Å; S631-N633 PolarHBondContact O-N 3.27Å
632	K	65	Low	83.5	Confident	215 Å²	215	63.8 Å²	63.8	94%	0.935	33%	0.325	S	S	*	.	S	Bend	trans	-73.6	-12.9	-178.9	-68.3	-178.3	179.5	175.3	0	114.3
633	N	67.9	Low	83.5	Confident	92 Å²	92	68.1 Å²	68.1	49%	0.492	35%	0.345	S	S	.	.			trans	-141.8	66.7	-177	-170.6	27.1	0	0	0	111	S631 L635 D636	S631-N633 VanDerWaalsContact C-N 3.25Å; S631-N633 PolarHBondContact O-N 3.27Å; N633-L635 PolarHBondContact O-N 3.23Å; N633-L635 VanDerWaalsContact O-N 3.14Å; N633-D636 VanDerWaalsContact ND2-CB 3.35Å; N633-D636 WeakPolarHBondContact ND2-CB 3.18Å; N633-D636 PolarHBondContact O-N 3.48Å
634	P	60.4	Low	83.4	Confident	75 Å²	75	68 Å²	68	49%	0.487	35%	0.35	S	S	.	.	G	3₁₀ helix	trans	-66.3	-16.4	-174.6	28.4	-36.1	0	0	0	113.3	D636 T637	P634-D636 PolarHBondContact O-N 3.1Å; P634-T637 PolarHBondContact O-N 3.17Å
635	L	61.6	Low	83.5	Confident	172 Å²	172	67.5 Å²	67.5	90%	0.901	35%	0.347	S	S	*	.	G	3₁₀ helix	trans	-70.5	-14.8	177.3	-65.4	173.9	0	0	0	113.9	N633	N633-L635 PolarHBondContact O-N 3.23Å; N633-L635 VanDerWaalsContact O-N 3.14Å
636	D	80.5	Confident	83.8	Confident	78 Å²	78	65.6 Å²	65.6	42%	0.417	34%	0.34	S	S	.	.	G	3₁₀ helix	trans	-107.3	10.3	-179.8	-172.1	42.4	0	0	0	112.5	N633 P634 R650 G651	N633-D636 VanDerWaalsContact ND2-CB 3.35Å; N633-D636 WeakPolarHBondContact ND2-CB 3.18Å; N633-D636 PolarHBondContact O-N 3.48Å; P634-D636 PolarHBondContact O-N 3.1Å; D636-R650 WeakPolarHBondContact O-CA 3.44Å; D636-G651 PolarHBondContact O-N 3.25Å
637	T	87	Confident	84.2	Confident	18 Å²	18	66 Å²	66	11%	0.11	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	117.5	175.2	-60.9	0	0	0	0	112.7	L628 P634 V648 S649 R650	L628-T637 HydrophobicContact CD1-CG2 3.66Å; L628-T637 WeakPolarHBondContact CD1-O 3.47Å; P634-T637 PolarHBondContact O-N 3.17Å; T637-V648 HydrophobicContact CG2-CG1 3.8Å; T637-S649 CarbonylContact C-O 3.58Å; T637-S649 WeakPolarHBondContact CA-O 3.45Å; T637-R650 PolarHBondContact OG1-NE 3.18Å
638	E	90.5	Very high	84.6	Confident	133 Å²	133	63.9 Å²	63.9	62%	0.621	33%	0.327	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.5	145.5	176	-63.7	-170.5	161.2	0	0	111.6	V648 S649	E638-V648 CarbonylContact O-C 3.6Å; E638-V648 VanDerWaalsContact O-CA 3.31Å; E638-V648 WeakPolarHBondContact O-CA 3.41Å; E638-S649 PolarHBondContact N-O 3.32Å; E638-S649 PolarHBondContact O-N 3.48Å
639	L	93.2	Very high	85	Confident	21 Å²	21	62.9 Å²	62.9	11%	0.11	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	117.6	174.8	171.9	67.5	0	0	0	111	L624 R625 L628 Q641 K647 V648	L624-L639 HydrophobicContact CB-CD1 4.41Å; R625-L639 VanDerWaalsContact CA-CD2 3.49Å; R625-L639 HydrophobicContact CB-CD2 3.94Å; R625-L639 PolarHBondContact NH2-O 3.41Å; L628-L639 HydrophobicContact CD2-CB 3.41Å; L628-L639 VanDerWaalsContact CD2-CB 3.41Å; L628-L639 HydrophobicContact CD2-CD2 4.22Å; L628-L639 HydrophobicContact CD2-CG 4.47Å; L639-Q641 HydrophobicContact CD1-CG 3.62Å; L639-Q641 HydrophobicContact CD2-CG 4.33Å; L639-Q641 HydrophobicContact CG-CG 3.82Å; L639-K647 WeakPolarHBondContact CA-O 3.28Å; L639-V648 HydrophobicContact CD1-CG2 3.92Å
640	I	93.2	Very high	85.5	Confident	72 Å²	72	63.2 Å²	63.2	37%	0.369	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	127.7	175.9	-50.4	175.5	0	0	0	108.6	P585 W642 S646 K647	P585-I640 HydrophobicContact CG-CG2 3.87Å; I640-W642 HydrophobicContact CG2-CE3 4.28Å; I640-W642 HydrophobicContact CG2-CZ3 4.43Å; I640-W642 WeakPolarHBondContact O-CZ3 3.47Å; I640-S646 CarbonylContact O-C 3.55Å; I640-S646 WeakPolarHBondContact O-CA 3.27Å; I640-K647 PolarHBondContact N-O 2.8Å; I640-K647 PolarHBondContact O-N 3.39Å
641	Q	94.9	Very high	86	Confident	15 Å²	15	59.8 Å²	59.8	7%	0.07	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	141.1	-174.9	-56.8	-174.8	-72.2	0	0	111.3	N580 Q621 R625 L639 S646	N580-Q641 PolarHBondContact ND2-O 3.01Å; Q621-Q641 PolarHBondContact O-NE2 3.28Å; R625-Q641 VanDerWaalsContact CZ-OE1 3.23Å; L639-Q641 HydrophobicContact CD1-CG 3.62Å; L639-Q641 HydrophobicContact CD2-CG 4.33Å; L639-Q641 HydrophobicContact CG-CG 3.82Å; Q641-S646 WeakPolarHBondContact CG-OG 3.36Å; Q641-S646 PolarHBondContact NE2-OG 3.14Å
642	W	94.5	Very high	86.9	Confident	10 Å²	10	63.3 Å²	63.3	4%	0.038	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	-179.6	-176.6	64.6	86.8	0	0	0	110	S582 P584 L588 Q621 I640 G644 G645 K647 L656 L658	S582-W642 WeakPolarHBondContact O-CB 3.49Å; P584-W642 HydrophobicContact CB-CD2 4.24Å; P584-W642 HydrophobicContact CB-CG 4.23Å; L588-W642 HydrophobicContact CD1-CH2 3.51Å; L588-W642 HydrophobicContact CD1-CZ2 3.52Å; L588-W642 HydrophobicContact CD1-CZ3 4.07Å; L588-W642 HydrophobicContact CD2-CH2 3.72Å; L588-W642 HydrophobicContact CD2-CZ3 3.74Å; L588-W642 HydrophobicContact CG-CH2 4.26Å; Q621-W642 PolarHBondContact NE2-O 2.73Å; Q621-W642 VanDerWaalsContact NE2-O 3.17Å; I640-W642 HydrophobicContact CG2-CE3 4.28Å; I640-W642 HydrophobicContact CG2-CZ3 4.43Å; I640-W642 WeakPolarHBondContact O-CZ3 3.47Å; W642-G644 PolarHBondContact O-N 2.89Å; W642-G645 VanDerWaalsContact CE2-C 3.5Å; W642-G645 VanDerWaalsContact CE2-CA 3.44Å; W642-G645 PolarHBondContact N-O 2.68Å; W642-G645 VanDerWaalsContact N-O 3.12Å; W642-G645 PolarHBondContact O-N 3.49Å; W642-G645 VanDerWaalsContact O-O 3.1Å; W642-K647 HydrophobicContact CH2-CB 4.04Å; W642-K647 HydrophobicContact CZ3-CB 3.97Å; W642-L656 HydrophobicContact CH2-CD1 3.65Å; W642-L656 HydrophobicContact CZ2-CD1 4.08Å; W642-L658 HydrophobicContact CZ2-CD2 4.12Å
643	Q	92.3	Very high	88.3	Confident	98 Å²	98	53.7 Å²	53.7	46%	0.458	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	109.2	-179.8	-163.4	179.2	13.7	0	0	111.6	N580 S582	N580-Q643 WeakPolarHBondContact O-CA 3.46Å; N580-Q643 WeakPolarHBondContact O-CB 3.46Å; N580-Q643 PolarHBondContact O-N 2.95Å; S582-Q643 WeakPolarHBondContact O-CB 3.27Å; S582-Q643 PolarHBondContact O-N 2.82Å
644	G	91.6	Very high	89.6	Confident	23 Å²	23	51 Å²	51	24%	0.237	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	79.3	16.1	177.3	0	0	0	0	0	115.7	W642 L659	W642-G644 PolarHBondContact O-N 2.89Å; G644-L659 WeakPolarHBondContact O-CB 3.24Å; G644-L659 PolarHBondContact O-N 2.77Å
645	G	95.2	Very high	91.3	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.4	164	172.4	0	0	0	0	0	115	Q621 W642 L657	Q621-G645 PolarHBondContact NE2-O 2.9Å; W642-G645 VanDerWaalsContact CE2-C 3.5Å; W642-G645 VanDerWaalsContact CE2-CA 3.44Å; W642-G645 PolarHBondContact N-O 2.68Å; W642-G645 VanDerWaalsContact N-O 3.12Å; W642-G645 PolarHBondContact O-N 3.49Å; W642-G645 VanDerWaalsContact O-O 3.1Å; G645-L657 CarbonylContact C-O 3.51Å; G645-L657 VanDerWaalsContact CA-O 3.3Å; G645-L657 WeakPolarHBondContact CA-O 3.37Å
646	S	97	Very high	93	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	135.9	176.8	-62.4	0	0	0	0	110.1	Q621 I640 Q641 L657	Q621-S646 PolarHBondContact NE2-OG 3.31Å; I640-S646 CarbonylContact O-C 3.55Å; I640-S646 WeakPolarHBondContact O-CA 3.27Å; Q641-S646 WeakPolarHBondContact CG-OG 3.36Å; Q641-S646 PolarHBondContact NE2-OG 3.14Å; S646-L657 PolarHBondContact N-O 3.19Å; S646-L657 PolarHBondContact O-N 2.93Å
647	K	96.7	Very high	93.8	Very high	25 Å²	25	36.2 Å²	36.2	11%	0.109	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	131.5	171.5	-177.9	173.7	178.4	172.9	0	108.8	L588 L639 I640 W642 S649 E654 G655 L656	L588-K647 HydrophobicContact CD2-CB 4.17Å; L588-K647 HydrophobicContact CD2-CD 3.85Å; L588-K647 PolarHBondContact O-NZ 2.9Å; L639-K647 WeakPolarHBondContact CA-O 3.28Å; I640-K647 PolarHBondContact N-O 2.8Å; I640-K647 PolarHBondContact O-N 3.39Å; W642-K647 HydrophobicContact CH2-CB 4.04Å; W642-K647 HydrophobicContact CZ3-CB 3.97Å; K647-S649 WeakPolarHBondContact CE-OG 3.22Å; K647-E654 WeakPolarHBondContact CE-OE1 3.35Å; K647-E654 VanDerWaalsContact NZ-CD 3.33Å; K647-E654 IonicContact NZ-OE1 3.41Å; K647-E654 PolarHBondContact NZ-OE1 3.46Å; K647-E654 IonicContact NZ-OE2 3.86Å; K647-G655 CarbonylContact C-O 3.6Å; K647-G655 WeakPolarHBondContact CA-O 3.3Å; K647-L656 HydrophobicContact CB-CD1 4.17Å
648	V	95.3	Very high	94.2	Very high	17 Å²	17	36.7 Å²	36.7	10%	0.103	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	131.7	172	-171.5	0	0	0	0	107	L624 T637 E638 L639 G655 F683 I687	L624-V648 HydrophobicContact CD2-CG2 4.31Å; T637-V648 HydrophobicContact CG2-CG1 3.8Å; E638-V648 CarbonylContact O-C 3.6Å; E638-V648 VanDerWaalsContact O-CA 3.31Å; E638-V648 WeakPolarHBondContact O-CA 3.41Å; L639-V648 HydrophobicContact CD1-CG2 3.92Å; V648-G655 PolarHBondContact N-O 2.94Å; V648-G655 PolarHBondContact O-N 3.21Å; V648-G655 VanDerWaalsContact O-O 3.13Å; V648-F683 HydrophobicContact CB-CZ 4.1Å; V648-F683 HydrophobicContact CG1-CE2 4.04Å; V648-F683 HydrophobicContact CG1-CZ 3.9Å; V648-I687 HydrophobicContact CB-CD1 4.39Å; V648-I687 HydrophobicContact CG2-CD1 4.48Å
649	S	93.4	Very high	94.4	Very high	17 Å²	17	31.5 Å²	31.5	12%	0.119	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	131.9	173	-65.3	0	0	0	0	109.5	T637 E638 K647 I653	T637-S649 CarbonylContact C-O 3.58Å; T637-S649 WeakPolarHBondContact CA-O 3.45Å; E638-S649 PolarHBondContact N-O 3.32Å; E638-S649 PolarHBondContact O-N 3.48Å; K647-S649 WeakPolarHBondContact CE-OG 3.22Å; S649-I653 CarbonylContact C-O 3.59Å; S649-I653 WeakPolarHBondContact CA-O 3.15Å
650	R	92.5	Very high	93.9	Very high	79 Å²	79	32.6 Å²	32.6	30%	0.298	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	110.1	172.2	-178.6	-179.6	-66.6	157.7	1.9	108.6	D636 T637 M652 I653 F683 E686	D636-R650 WeakPolarHBondContact O-CA 3.44Å; T637-R650 PolarHBondContact OG1-NE 3.18Å; R650-M652 PolarHBondContact O-N 3.4Å; R650-M652 VanDerWaalsContact O-N 3.14Å; R650-I653 PolarHBondContact N-O 2.84Å; R650-I653 PolarHBondContact O-N 2.77Å; R650-F683 HydrophobicContact CB-CD2 4.16Å; R650-F683 HydrophobicContact CB-CE2 3.8Å; R650-E686 IonicContact CZ-OE1 2.87Å; R650-E686 IonicContact CZ-OE2 3.84Å; R650-E686 IonicContact NH1-OE1 2.79Å; R650-E686 IonicContact NH1-OE2 3.94Å; R650-E686 PolarHBondContact NH1-OE2 3.49Å; R650-E686 IonicContact NH2-OE1 3.97Å; R650-E686 PolarHBondContact NH2-OE1 3.21Å; R650-E686 IonicContact NH2-OE2 2.76Å; R650-E686 PolarHBondContact NH2-OE2 2.89Å
651	G	90.1	Very high	93.2	Very high	53 Å²	53	33.5 Å²	33.5	55%	0.546	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.4	-117.5	-167	0	0	0	0	0	112.3	D636	D636-G651 PolarHBondContact O-N 3.25Å
652	M	91.5	Very high	92.3	Very high	117 Å²	117	41.8 Å²	41.8	58%	0.576	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.2	-0.5	178.9	-64.6	-63.4	-67.4	0	0	114.6	F596 R650 P673	F596-M652 HydrophobicContact CZ-CE 4.32Å; R650-M652 PolarHBondContact O-N 3.4Å; R650-M652 VanDerWaalsContact O-N 3.14Å; M652-P673 HydrophobicContact CB-CG 3.74Å; M652-P673 HydrophobicContact CG-CG 4.49Å
653	I	95	Very high	91.6	Very high	12 Å²	12	44.5 Å²	44.5	6%	0.062	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	128.3	-179.4	-53.4	176.4	0	0	0	109	S649 R650 V670 R671 D679 F683	S649-I653 CarbonylContact C-O 3.59Å; S649-I653 WeakPolarHBondContact CA-O 3.15Å; R650-I653 PolarHBondContact N-O 2.84Å; R650-I653 PolarHBondContact O-N 2.77Å; I653-V670 HydrophobicContact CG2-CG1 4.01Å; I653-R671 WeakPolarHBondContact CA-O 3.5Å; I653-D679 HydrophobicContact CD1-CB 3.68Å; I653-F683 HydrophobicContact CG2-CB 4.34Å; I653-F683 HydrophobicContact CG2-CD1 3.49Å; I653-F683 VanDerWaalsContact CG2-CD1 3.49Å; I653-F683 HydrophobicContact CG2-CE1 3.85Å; I653-F683 HydrophobicContact CG2-CG 3.99Å
654	E	95.6	Very high	91.2	Very high	37 Å²	37	43.3 Å²	43.3	17%	0.173	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	128.3	-179.6	-57.3	-169.1	132.4	0	0	111.4	W589 K647 V670 R671	W589-E654 HydrophobicContact CZ3-CB 3.99Å; K647-E654 WeakPolarHBondContact CE-OE1 3.35Å; K647-E654 VanDerWaalsContact NZ-CD 3.33Å; K647-E654 IonicContact NZ-OE1 3.41Å; K647-E654 PolarHBondContact NZ-OE1 3.46Å; K647-E654 IonicContact NZ-OE2 3.86Å; E654-V670 CarbonylContact O-C 3.48Å; E654-V670 VanDerWaalsContact O-CA 3.3Å; E654-V670 WeakPolarHBondContact O-CA 3.48Å; E654-R671 HydrophobicContact CB-CG 4.12Å; E654-R671 PolarHBondContact N-O 2.87Å; E654-R671 PolarHBondContact O-N 2.7Å; E654-R671 IonicContact OE2-CZ 3.7Å; E654-R671 IonicContact OE2-NE 3.51Å; E654-R671 PolarHBondContact OE2-NE 3.33Å; E654-R671 IonicContact OE2-NH2 2.76Å; E654-R671 PolarHBondContact OE2-NH2 2.87Å
655	G	96.7	Very high	91.2	Very high	1 Å²	1	42.4 Å²	42.4	1%	0.01	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	132.9	171.2	0	0	0	0	0	111.1	K647 V648 R669	K647-G655 CarbonylContact C-O 3.6Å; K647-G655 WeakPolarHBondContact CA-O 3.3Å; V648-G655 PolarHBondContact N-O 2.94Å; V648-G655 PolarHBondContact O-N 3.21Å; V648-G655 VanDerWaalsContact O-O 3.13Å; G655-R669 CarbonylContact C-O 3.59Å; G655-R669 WeakPolarHBondContact CA-O 3.48Å
656	L	97	Very high	91.2	Very high	7 Å²	7	42.6 Å²	42.6	4%	0.037	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	111.9	179.2	-178.7	68.1	0	0	0	109.5	W589 W642 K647 L658 L668 R669	W589-L656 HydrophobicContact CB-CD2 4Å; W589-L656 HydrophobicContact CD2-CB 4.4Å; W589-L656 HydrophobicContact CD2-CD2 3.83Å; W589-L656 HydrophobicContact CE3-CB 3.6Å; W589-L656 HydrophobicContact CE3-CD2 3.7Å; W589-L656 HydrophobicContact CE3-CG 4.24Å; W589-L656 HydrophobicContact CG-CD2 4.01Å; W589-L656 HydrophobicContact CH2-CB 4.16Å; W589-L656 HydrophobicContact CZ3-CB 3.47Å; W589-L656 VanDerWaalsContact CZ3-CB 3.47Å; W589-L656 HydrophobicContact CZ3-CD2 4.41Å; W642-L656 HydrophobicContact CH2-CD1 3.65Å; W642-L656 HydrophobicContact CZ2-CD1 4.08Å; K647-L656 HydrophobicContact CB-CD1 4.17Å; L656-L658 HydrophobicContact CD1-CD2 3.96Å; L656-L658 HydrophobicContact CD2-CD1 4.05Å; L656-L658 HydrophobicContact CD2-CD2 4.26Å; L656-L658 HydrophobicContact CD2-CG 4.28Å; L656-L658 HydrophobicContact CG-CD1 4.28Å; L656-L658 HydrophobicContact CG-CD2 3.94Å; L656-L658 HydrophobicContact CG-CG 3.97Å; L656-L668 WeakPolarHBondContact O-CA 3.46Å; L656-R669 PolarHBondContact N-O 3.37Å; L656-R669 PolarHBondContact O-N 2.89Å
657	L	97.4	Very high	91.2	Very high	5 Å²	5	42.6 Å²	42.6	3%	0.026	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	126.1	175.3	-176.6	67.8	0	0	0	109.8	F617 V620 L624 G645 S646 L666 E667 L668 I691	F617-L657 HydrophobicContact CD2-CD2 4.34Å; F617-L657 HydrophobicContact CE2-CD2 3.88Å; F617-L657 HydrophobicContact CE2-CG 4.03Å; V620-L657 HydrophobicContact CG1-CD2 3.55Å; L624-L657 HydrophobicContact CD1-CD2 4.01Å; G645-L657 CarbonylContact C-O 3.51Å; G645-L657 VanDerWaalsContact CA-O 3.3Å; G645-L657 WeakPolarHBondContact CA-O 3.37Å; S646-L657 PolarHBondContact N-O 3.19Å; S646-L657 PolarHBondContact O-N 2.93Å; L657-L666 HydrophobicContact CD1-CB 4.34Å; L657-E667 CarbonylContact C-O 3.51Å; L657-E667 WeakPolarHBondContact CA-O 3.47Å; L657-L668 HydrophobicContact CD1-CB 4.07Å; L657-I691 HydrophobicContact CD1-CD1 3.74Å; L657-I691 HydrophobicContact CD2-CD1 4.24Å; L657-I691 HydrophobicContact CD2-CG1 4.45Å
658	L	95.7	Very high	91.2	Very high	29 Å²	29	41.5 Å²	41.5	15%	0.152	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	141.5	-175.3	-59.1	175.2	0	0	0	111.7	W642 L656 L660 L666 E667	W642-L658 HydrophobicContact CZ2-CD2 4.12Å; L656-L658 HydrophobicContact CD1-CD2 3.96Å; L656-L658 HydrophobicContact CD2-CD1 4.05Å; L656-L658 HydrophobicContact CD2-CD2 4.26Å; L656-L658 HydrophobicContact CD2-CG 4.28Å; L656-L658 HydrophobicContact CG-CD1 4.28Å; L656-L658 HydrophobicContact CG-CD2 3.94Å; L656-L658 HydrophobicContact CG-CG 3.97Å; L658-L660 HydrophobicContact CB-CD1 4.32Å; L658-L660 HydrophobicContact CB-CD2 3.8Å; L658-L660 HydrophobicContact CB-CG 3.79Å; L658-L660 HydrophobicContact CD1-CD2 4.23Å; L658-L666 CarbonylContact O-C 3.46Å; L658-L666 WeakPolarHBondContact O-CA 3.45Å; L658-E667 PolarHBondContact N-O 2.68Å; L658-E667 PolarHBondContact O-N 2.79Å
659	L	93	Very high	91.3	Very high	24 Å²	24	42.8 Å²	42.8	13%	0.126	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	103.7	169.5	-179.2	59.5	0	0	0	108.8	V613 R614 F617 G644 E663 L666	V613-L659 HydrophobicContact CG1-CD1 3.88Å; R614-L659 HydrophobicContact CG-CD2 4.36Å; F617-L659 HydrophobicContact CB-CD1 4.23Å; F617-L659 HydrophobicContact CB-CD2 4.18Å; F617-L659 HydrophobicContact CD1-CB 4.14Å; F617-L659 HydrophobicContact CD1-CD2 3.82Å; F617-L659 HydrophobicContact CD2-CB 4.35Å; F617-L659 HydrophobicContact CE1-CB 4.35Å; F617-L659 HydrophobicContact CG-CB 4.14Å; F617-L659 HydrophobicContact CG-CD1 4.47Å; F617-L659 HydrophobicContact CG-CD2 4.1Å; F617-L659 HydrophobicContact CG-CG 4.47Å; G644-L659 WeakPolarHBondContact O-CB 3.24Å; G644-L659 PolarHBondContact O-N 2.77Å; L659-E663 HydrophobicContact CD1-CB 3.95Å; L659-E663 HydrophobicContact CD2-CB 3.91Å; L659-E663 HydrophobicContact CD2-CG 3.81Å; L659-E663 HydrophobicContact CG-CB 3.84Å; L659-E663 HydrophobicContact CG-CG 3.97Å; L659-L666 HydrophobicContact CD1-CD2 3.9Å
660	L	84.4	Confident	91.5	Very high	44 Å²	44	42 Å²	42	23%	0.23	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	176.1	-167.1	-65.6	-172.5	0	0	0	113.9	L658 R662 E663 H664 C665 E667	L658-L660 HydrophobicContact CB-CD1 4.32Å; L658-L660 HydrophobicContact CB-CD2 3.8Å; L658-L660 HydrophobicContact CB-CG 3.79Å; L658-L660 HydrophobicContact CD1-CD2 4.23Å; L660-R662 PolarHBondContact O-N 3.19Å; L660-E663 WeakPolarHBondContact O-CA 3.2Å; L660-E663 PolarHBondContact O-N 3.25Å; L660-H664 PolarHBondContact O-N 3.15Å; L660-C665 PolarHBondContact N-O 2.93Å; L660-E667 HydrophobicContact CD1-CB 3.59Å; L660-E667 HydrophobicContact CD1-CG 4.09Å; L660-E667 WeakPolarHBondContact CD1-OE1 3.45Å; L660-E667 WeakPolarHBondContact CD1-OE2 3.38Å; L660-E667 HydrophobicContact CG-CB 4.19Å
661	N	76.5	Confident	91.8	Very high	91 Å²	91	38.7 Å²	38.7	49%	0.487	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.6	47.2	172.3	-63.6	-34.2	0	0	0	114.4	H664 C665	N661-H664 WeakPolarHBondContact O-CB 3.45Å; N661-H664 PolarHBondContact O-CD2 2.82Å; N661-C665 PolarHBondContact ND2-SG 3.47Å
662	R	77.9	Confident	92.1	Very high	189 Å²	189	36.1 Å²	36.1	71%	0.713	17%	0.167	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.9	39.8	-171.4	-47.8	-179.3	-172.2	168	4.5	113.6	L660 H664	L660-R662 PolarHBondContact O-N 3.19Å; R662-H664 VanDerWaalsContact C-N 3.31Å; R662-H664 PolarHBondContact O-N 2.97Å
663	E	78.2	Confident	92.3	Very high	66 Å²	66	31.2 Å²	31.2	31%	0.308	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	70.8	21.1	177.2	-45.1	174.8	171.9	0	0	114.7	V613 R614 L659 L660	V613-E663 WeakPolarHBondContact CB-O 3.35Å; R614-E663 HydrophobicContact CB-CB 4.14Å; R614-E663 WeakPolarHBondContact CD-OE2 3.44Å; R614-E663 WeakPolarHBondContact CG-OE2 3.39Å; R614-E663 IonicContact CZ-OE1 3.11Å; R614-E663 IonicContact CZ-OE2 3.72Å; R614-E663 IonicContact NE-OE2 3.51Å; R614-E663 IonicContact NH1-OE1 3.64Å; R614-E663 PolarHBondContact NH1-OE1 3.19Å; R614-E663 IonicContact NH1-OE2 3.52Å; R614-E663 PolarHBondContact NH1-OE2 3.11Å; L659-E663 HydrophobicContact CD1-CB 3.95Å; L659-E663 HydrophobicContact CD2-CB 3.91Å; L659-E663 HydrophobicContact CD2-CG 3.81Å; L659-E663 HydrophobicContact CG-CB 3.84Å; L659-E663 HydrophobicContact CG-CG 3.97Å; L660-E663 WeakPolarHBondContact O-CA 3.2Å; L660-E663 PolarHBondContact O-N 3.25Å
664	H	84.8	Confident	92.2	Very high	73 Å²	73	33.6 Å²	33.6	34%	0.338	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.6	-8.6	-176.3	-65	-36.8	0	0	0	115.2	P605 D610 L660 N661 R662	P605-H664 WeakPolarHBondContact CD-O 3.49Å; D610-H664 HydrophobicContact CB-CB 3.94Å; D610-H664 IonicContact OD2-CE1 2.77Å; D610-H664 IonicContact OD2-ND1 3.19Å; L660-H664 PolarHBondContact O-N 3.15Å; N661-H664 WeakPolarHBondContact O-CB 3.45Å; N661-H664 PolarHBondContact O-CD2 2.82Å; R662-H664 VanDerWaalsContact C-N 3.31Å; R662-H664 PolarHBondContact O-N 2.97Å
665	C	90.4	Very high	92.2	Very high	4 Å²	4	38.1 Å²	38.1	3%	0.027	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.3	152.2	176.9	61.5	0	0	0	0	111.8	R602 L603 V604 L660 N661	R602-C665 HydrophobicContact CG-CB 3.95Å; L603-C665 WeakPolarHBondContact O-CB 3.09Å; V604-C665 HydrophobicContact CG2-CB 4.2Å; L660-C665 PolarHBondContact N-O 2.93Å; N661-C665 PolarHBondContact ND2-SG 3.47Å
666	L	95.6	Very high	92.1	Very high	5 Å²	5	40.8 Å²	40.8	3%	0.026	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	145.7	167.6	-52.3	-175.4	0	0	0	109.4	R602 L603 V613 F617 L657 L658 L659 I691	R602-L666 CarbonylContact C-O 3.48Å; R602-L666 VanDerWaalsContact CA-O 3.27Å; R602-L666 WeakPolarHBondContact CA-O 3.47Å; R602-L666 WeakPolarHBondContact CG-O 3.35Å; L603-L666 HydrophobicContact CB-CB 4.34Å; L603-L666 PolarHBondContact N-O 2.97Å; L603-L666 PolarHBondContact O-N 2.82Å; L603-L666 VanDerWaalsContact O-N 3.15Å; V613-L666 HydrophobicContact CG1-CD2 3.46Å; V613-L666 VanDerWaalsContact CG1-CD2 3.46Å; V613-L666 HydrophobicContact CG1-CG 3.72Å; F617-L666 HydrophobicContact CB-CD2 3.9Å; F617-L666 HydrophobicContact CD2-CD2 3.73Å; F617-L666 HydrophobicContact CG-CD2 4.19Å; L657-L666 HydrophobicContact CD1-CB 4.34Å; L658-L666 CarbonylContact O-C 3.46Å; L658-L666 WeakPolarHBondContact O-CA 3.45Å; L659-L666 HydrophobicContact CD1-CD2 3.9Å; L666-I691 HydrophobicContact CD1-CG2 3.8Å
667	E	96.7	Very high	92	Very high	0 Å²	0	42 Å²	42	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	116.1	171.5	-172.1	171.5	108.6	0	0	110.4	I601 R602 L657 L658 L660 R669 L709	I601-E667 CarbonylContact O-C 3.32Å; I601-E667 WeakPolarHBondContact O-CA 3.44Å; R602-E667 HydrophobicContact CB-CG 4.44Å; R602-E667 HydrophobicContact CG-CB 4.49Å; R602-E667 IonicContact CZ-OE2 2.81Å; R602-E667 IonicContact NE-OE2 3.4Å; R602-E667 PolarHBondContact NE-OE2 2.86Å; R602-E667 IonicContact NH2-OE2 3.2Å; R602-E667 PolarHBondContact NH2-OE2 2.92Å; L657-E667 CarbonylContact C-O 3.51Å; L657-E667 WeakPolarHBondContact CA-O 3.47Å; L658-E667 PolarHBondContact N-O 2.68Å; L658-E667 PolarHBondContact O-N 2.79Å; L660-E667 HydrophobicContact CD1-CB 3.59Å; L660-E667 HydrophobicContact CD1-CG 4.09Å; L660-E667 WeakPolarHBondContact CD1-OE1 3.45Å; L660-E667 WeakPolarHBondContact CD1-OE2 3.38Å; L660-E667 HydrophobicContact CG-CB 4.19Å; E667-R669 HydrophobicContact CG-CG 4.42Å; E667-R669 IonicContact OE1-CZ 3.14Å; E667-R669 IonicContact OE1-NE 2.8Å; E667-R669 PolarHBondContact OE1-NE 3.22Å; E667-R669 IonicContact OE1-NH2 2.69Å; E667-R669 PolarHBondContact OE1-NH2 2.98Å; E667-L709 HydrophobicContact CG-CD1 3.79Å
668	L	97.9	Very high	91.9	Very high	2 Å²	2	42.7 Å²	42.7	1%	0.01	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	128.4	172.4	173.9	64.3	0	0	0	108.7	G600 I601 L656 L657 V670 F684 I687 L688 I691	G600-L668 CarbonylContact C-O 3.55Å; G600-L668 WeakPolarHBondContact CA-O 3.27Å; I601-L668 HydrophobicContact CG2-CB 3.94Å; I601-L668 HydrophobicContact CG2-CD2 4.37Å; I601-L668 PolarHBondContact N-O 3.07Å; I601-L668 PolarHBondContact O-N 2.9Å; L656-L668 WeakPolarHBondContact O-CA 3.46Å; L657-L668 HydrophobicContact CD1-CB 4.07Å; L668-V670 HydrophobicContact CD1-CG2 4.23Å; L668-V670 HydrophobicContact CG-CG2 4.41Å; L668-F684 HydrophobicContact CD2-CD2 3.85Å; L668-F684 HydrophobicContact CD2-CE2 3.97Å; L668-F684 HydrophobicContact CG-CD2 4.22Å; L668-F684 HydrophobicContact CG-CE2 4.23Å; L668-I687 HydrophobicContact CD1-CB 4.47Å; L668-I687 HydrophobicContact CD1-CG2 3.79Å; L668-I687 HydrophobicContact CD2-CB 4.1Å; L668-I687 HydrophobicContact CD2-CG2 3.87Å; L668-I687 HydrophobicContact CG-CG2 4.48Å; L668-L688 HydrophobicContact CD2-CB 4.49Å; L668-I691 HydrophobicContact CD2-CD1 4.39Å
669	R	97.5	Very high	91.9	Very high	43 Å²	43	45.1 Å²	45.1	16%	0.162	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	138.9	170.7	-56.4	174.5	-179.4	-165	-1.8	108.1	W589 G655 L656 E667 L709 L714	W589-R669 HydrophobicContact CH2-CB 3.93Å; W589-R669 HydrophobicContact CZ2-CB 3.76Å; G655-R669 CarbonylContact C-O 3.59Å; G655-R669 WeakPolarHBondContact CA-O 3.48Å; L656-R669 PolarHBondContact N-O 3.37Å; L656-R669 PolarHBondContact O-N 2.89Å; E667-R669 HydrophobicContact CG-CG 4.42Å; E667-R669 IonicContact OE1-CZ 3.14Å; E667-R669 IonicContact OE1-NE 2.8Å; E667-R669 PolarHBondContact OE1-NE 3.22Å; E667-R669 IonicContact OE1-NH2 2.69Å; E667-R669 PolarHBondContact OE1-NH2 2.98Å; R669-L709 HydrophobicContact CG-CD1 4.28Å; R669-L714 HydrophobicContact CG-CD2 4.06Å
670	V	98	Very high	92.1	Very high	0 Å²	0	44 Å²	44	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	142.5	173.4	169.4	0	0	0	0	109.5	Y598 A599 I653 E654 L668 C680 F683 F684 F755	Y598-V670 WeakPolarHBondContact CA-O 3.26Å; A599-V670 PolarHBondContact N-O 3.4Å; A599-V670 PolarHBondContact O-N 3.12Å; I653-V670 HydrophobicContact CG2-CG1 4.01Å; E654-V670 CarbonylContact O-C 3.48Å; E654-V670 VanDerWaalsContact O-CA 3.3Å; E654-V670 WeakPolarHBondContact O-CA 3.48Å; L668-V670 HydrophobicContact CD1-CG2 4.23Å; L668-V670 HydrophobicContact CG-CG2 4.41Å; V670-C680 HydrophobicContact CG1-CB 4.36Å; V670-F683 HydrophobicContact CG1-CD1 3.87Å; V670-F683 HydrophobicContact CG1-CE1 4.35Å; V670-F683 HydrophobicContact CG2-CD1 4.06Å; V670-F683 HydrophobicContact CG2-CE1 4.17Å; V670-F684 HydrophobicContact CB-CB 4.25Å; V670-F684 HydrophobicContact CB-CD2 4.09Å; V670-F684 HydrophobicContact CG1-CB 4.4Å; V670-F684 HydrophobicContact CG2-CB 4Å; V670-F684 HydrophobicContact CG2-CD2 3.82Å; V670-F684 HydrophobicContact CG2-CG 4.42Å; V670-F755 HydrophobicContact CB-CE1 4.06Å; V670-F755 HydrophobicContact CB-CZ 3.91Å; V670-F755 HydrophobicContact CG1-CE1 3.82Å; V670-F755 HydrophobicContact CG1-CZ 3.86Å
671	R	97	Very high	92.6	Very high	10 Å²	10	41.9 Å²	41.9	4%	0.038	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	155.8	173.2	69.7	-177.1	-177.7	167.6	0.7	111.6	W589 E590 F596 V597 Y598 I653 E654 H717	W589-R671 HydrophobicContact CH2-CB 4.11Å; W589-R671 HydrophobicContact CH2-CG 3.6Å; W589-R671 HydrophobicContact CZ2-CB 4.1Å; W589-R671 HydrophobicContact CZ2-CG 3.83Å; W589-R671 HydrophobicContact CZ3-CG 4.14Å; E590-R671 PolarHBondContact O-NH1 2.77Å; E590-R671 PolarHBondContact O-NH2 2.94Å; F596-R671 HydrophobicContact CD2-CB 4.19Å; F596-R671 HydrophobicContact CD2-CG 4.01Å; F596-R671 HydrophobicContact CE2-CG 4.36Å; V597-R671 VanDerWaalsContact O-CA 3.22Å; V597-R671 WeakPolarHBondContact O-CA 3.19Å; V597-R671 WeakPolarHBondContact O-CB 3.39Å; Y598-R671 HydrophobicContact CD1-CB 3.64Å; Y598-R671 HydrophobicContact CE1-CB 3.7Å; Y598-R671 VanDerWaalsContact CE1-CD 3.4Å; Y598-R671 HydrophobicContact CE1-CG 4.22Å; Y598-R671 HydrophobicContact CG-CB 4.1Å; Y598-R671 PolarHBondContact OH-NH1 2.83Å; I653-R671 WeakPolarHBondContact CA-O 3.5Å; E654-R671 HydrophobicContact CB-CG 4.12Å; E654-R671 PolarHBondContact N-O 2.87Å; E654-R671 PolarHBondContact O-N 2.7Å; E654-R671 IonicContact OE2-CZ 3.7Å; E654-R671 IonicContact OE2-NE 3.51Å; E654-R671 PolarHBondContact OE2-NE 3.33Å; E654-R671 IonicContact OE2-NH2 2.76Å; E654-R671 PolarHBondContact OE2-NH2 2.87Å; R671-H717 PolarHBondContact NH1-CE1 2.93Å
672	G	96.3	Very high	93.5	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-175.8	177.5	173.2	0	0	0	0	0	111.6	F596 V597	F596-G672 CarbonylContact C-O 3.37Å; F596-G672 WeakPolarHBondContact CA-O 3.44Å; F596-G672 VanDerWaalsContact CB-O 3.3Å; F596-G672 WeakPolarHBondContact CB-O 3.5Å; F596-G672 VanDerWaalsContact CG-O 3.32Å; F596-G672 WeakPolarHBondContact CG-O 3.25Å; V597-G672 WeakPolarHBondContact CG2-O 3.45Å; V597-G672 PolarHBondContact N-O 3.44Å; V597-G672 PolarHBondContact O-N 2.98Å
673	P	95.7	Very high	94.3	Very high	14 Å²	14	33.5 Å²	33.5	9%	0.091	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-53.2	142.4	178.9	-24.9	33.7	0	0	0	112.9	F596 M652 D675 L676	F596-P673 HydrophobicContact CD1-CG 4.43Å; F596-P673 HydrophobicContact CE1-CB 4.31Å; F596-P673 HydrophobicContact CE1-CG 3.79Å; F596-P673 HydrophobicContact CZ-CG 4.24Å; M652-P673 HydrophobicContact CB-CG 3.74Å; M652-P673 HydrophobicContact CG-CG 4.49Å; P673-D675 WeakPolarHBondContact CB-OD1 3.36Å; P673-D675 PolarHBondContact O-N 2.84Å; P673-L676 HydrophobicContact CB-CB 4.43Å; P673-L676 HydrophobicContact CB-CD1 4.41Å; P673-L676 HydrophobicContact CB-CG 4.28Å; P673-L676 HydrophobicContact CG-CD1 4.04Å; P673-L676 HydrophobicContact CG-CG 4.45Å; P673-L676 CarbonylContact O-C 3.49Å; P673-L676 PolarHBondContact O-N 2.81Å
674	T	94.6	Very high	95.2	Very high	62 Å²	62	30.4 Å²	30.4	38%	0.38	15%	0.153	S	C	.	.	G	3₁₀ helix	trans	-61.2	-27.6	-179	-58.4	0	0	0	0	113.5	S595 V597 L676 N677	S595-T674 PolarHBondContact O-N 3.25Å; S595-T674 VanDerWaalsContact O-N 3.14Å; S595-T674 PolarHBondContact O-OG1 3.2Å; V597-T674 HydrophobicContact CG1-CG2 4.11Å; T674-L676 VanDerWaalsContact C-N 3.31Å; T674-N677 WeakPolarHBondContact O-CB 3.2Å
675	D	94.3	Very high	95.6	Very high	131 Å²	131	27.8 Å²	27.8	70%	0.701	14%	0.141	S	C	*	.	G	3₁₀ helix	trans	-73.8	-15.8	173.3	51	-57.3	0	0	0	114.2	P673	P673-D675 WeakPolarHBondContact CB-OD1 3.36Å; P673-D675 PolarHBondContact O-N 2.84Å
676	L	95.2	Very high	95.8	Very high	57 Å²	57	32.3 Å²	32.3	30%	0.298	16%	0.161	S	C	.	.	G	3₁₀ helix	trans	-108.2	29.5	175.2	-59.7	-177.4	0	0	0	111.8	P673 T674 D679 C680	P673-L676 HydrophobicContact CB-CB 4.43Å; P673-L676 HydrophobicContact CB-CD1 4.41Å; P673-L676 HydrophobicContact CB-CG 4.28Å; P673-L676 HydrophobicContact CG-CD1 4.04Å; P673-L676 HydrophobicContact CG-CG 4.45Å; P673-L676 CarbonylContact O-C 3.49Å; P673-L676 PolarHBondContact O-N 2.81Å; T674-L676 VanDerWaalsContact C-N 3.31Å; L676-D679 HydrophobicContact CB-CB 4.35Å; L676-D679 PolarHBondContact O-N 3.29Å; L676-C680 PolarHBondContact O-N 3.04Å; L676-C680 PolarHBondContact O-SG 2.66Å
677	N	95.6	Very high	95.8	Very high	33 Å²	33	32.5 Å²	32.5	18%	0.176	16%	0.163	C	C	.	.	H	α-helix	trans	-71.5	-32.6	-172.7	68.9	-16.2	0	0	0	114.1	V597 T674 C680 F681 F755 S757	V597-N677 HydrophobicContact CB-CB 4.42Å; V597-N677 HydrophobicContact CG1-CB 4.02Å; V597-N677 HydrophobicContact CG2-CB 3.76Å; T674-N677 WeakPolarHBondContact O-CB 3.2Å; N677-C680 PolarHBondContact O-N 3.02Å; N677-F681 PolarHBondContact O-N 2.96Å; N677-F755 HydrophobicContact CB-CB 4.15Å; N677-F755 WeakPolarHBondContact CB-O 3.3Å; N677-F755 PolarHBondContact ND2-O 3.21Å; N677-S757 PolarHBondContact ND2-N 2.86Å
678	T	95.3	Very high	95.7	Very high	19 Å²	19	32.5 Å²	32.5	12%	0.117	16%	0.163	C	C	.	.	H	α-helix	trans	-62.3	-45.3	168.3	-74.4	0	0	0	0	110.6	C680 F681 Y682 S757 E759 I760	T678-C680 PolarHBondContact O-N 2.91Å; T678-F681 WeakPolarHBondContact O-CB 3.19Å; T678-F681 PolarHBondContact O-N 3.34Å; T678-Y682 HydrophobicContact CG2-CD2 3.82Å; T678-Y682 HydrophobicContact CG2-CE2 3.52Å; T678-Y682 VanDerWaalsContact O-CD2 3.28Å; T678-Y682 WeakPolarHBondContact O-CD2 3.49Å; T678-Y682 PolarHBondContact O-N 2.79Å; T678-Y682 VanDerWaalsContact O-N 3.08Å; T678-S757 PolarHBondContact OG1-OG 3.26Å; T678-E759 WeakPolarHBondContact CG2-OE2 3.31Å; T678-E759 PolarHBondContact OG1-OE2 2.85Å; T678-I760 HydrophobicContact CG2-CD1 4.11Å; T678-I760 HydrophobicContact CG2-CG1 4.46Å
679	D	94.9	Very high	95.5	Very high	80 Å²	80	36.5 Å²	36.5	43%	0.428	18%	0.184	S	C	.	.	H	α-helix	trans	-64.8	-37.6	176.9	-52.4	-93.4	0	0	0	112.8	I653 L676 F681 Y682 F683	I653-D679 HydrophobicContact CD1-CB 3.68Å; L676-D679 HydrophobicContact CB-CB 4.35Å; L676-D679 PolarHBondContact O-N 3.29Å; D679-F681 VanDerWaalsContact C-N 3.27Å; D679-F681 PolarHBondContact O-N 3.47Å; D679-Y682 PolarHBondContact O-N 3.45Å; D679-F683 WeakPolarHBondContact O-CB 3.49Å; D679-F683 PolarHBondContact O-N 3.35Å
680	C	96.6	Very high	95.4	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-59.5	-38.5	173.5	-69.6	0	0	0	0	111.7	V597 V670 L676 N677 T678 F684 F755	V597-C680 HydrophobicContact CG2-CB 4.33Å; V670-C680 HydrophobicContact CG1-CB 4.36Å; L676-C680 PolarHBondContact O-N 3.04Å; L676-C680 PolarHBondContact O-SG 2.66Å; N677-C680 PolarHBondContact O-N 3.02Å; T678-C680 PolarHBondContact O-N 2.91Å; C680-F684 WeakPolarHBondContact O-CB 3.34Å; C680-F684 PolarHBondContact O-N 3.23Å; C680-F755 HydrophobicContact CB-CD1 3.66Å; C680-F755 HydrophobicContact CB-CE1 3.76Å; C680-F755 HydrophobicContact CB-CG 4.1Å; C680-F755 HydrophobicContact CB-CZ 4.28Å
681	F	96.4	Very high	95.2	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-68.1	-45.9	175	-179	-92.7	0	0	0	112.1	N677 T678 D679 F683 F684 E685 V753 F755 I760 L764 Y867 F869	N677-F681 PolarHBondContact O-N 2.96Å; T678-F681 WeakPolarHBondContact O-CB 3.19Å; T678-F681 PolarHBondContact O-N 3.34Å; D679-F681 VanDerWaalsContact C-N 3.27Å; D679-F681 PolarHBondContact O-N 3.47Å; F681-F683 PolarHBondContact O-N 2.98Å; F681-F684 PolarHBondContact O-N 3.14Å; F681-E685 HydrophobicContact CD1-CG 4.26Å; F681-E685 HydrophobicContact CE1-CG 3.7Å; F681-E685 HydrophobicContact CE2-CG 4.14Å; F681-E685 HydrophobicContact CZ-CG 3.62Å; F681-E685 PolarHBondContact O-N 3.12Å; F681-V753 WeakPolarHBondContact CD2-O 3.09Å; F681-V753 WeakPolarHBondContact CE2-O 3.35Å; F681-F755 HydrophobicContact CB-CD2 3.78Å; F681-F755 HydrophobicContact CB-CE2 4.11Å; F681-F755 HydrophobicContact CD2-CD2 4.04Å; F681-F755 HydrophobicContact CD2-CE2 4.18Å; F681-F755 HydrophobicContact CG-CD2 4.43Å; F681-I760 HydrophobicContact CB-CD1 4.33Å; F681-I760 HydrophobicContact CB-CG1 4.01Å; F681-I760 HydrophobicContact CD1-CB 4.36Å; F681-I760 HydrophobicContact CD1-CD1 3.47Å; F681-I760 VanDerWaalsContact CD1-CD1 3.47Å; F681-I760 HydrophobicContact CD1-CG1 3.8Å; F681-I760 HydrophobicContact CD1-CG2 3.61Å; F681-I760 HydrophobicContact CD2-CG2 3.81Å; F681-I760 HydrophobicContact CE1-CD1 4.07Å; F681-I760 HydrophobicContact CE1-CG2 3.58Å; F681-I760 HydrophobicContact CE2-CG2 3.78Å; F681-I760 HydrophobicContact CG-CB 4.44Å; F681-I760 HydrophobicContact CG-CD1 4.11Å; F681-I760 HydrophobicContact CG-CG1 3.94Å; F681-I760 HydrophobicContact CG-CG2 3.72Å; F681-I760 HydrophobicContact CZ-CG2 3.67Å; F681-L764 HydrophobicContact CZ-CD2 4.23Å; F681-Y867 HydrophobicContact CZ-CE2 4.36Å; F681-F869 HydrophobicContact CD1-CZ 4.45Å; F681-F869 HydrophobicContact CE1-CB 4.29Å; F681-F869 AromaticContact CE1-CD1 3.81Å; F681-F869 HydrophobicContact CE1-CD1 3.81Å; F681-F869 AromaticContact CE1-CD2 3.75Å; F681-F869 HydrophobicContact CE1-CD2 3.75Å; F681-F869 AromaticContact CE1-CE1 3.97Å; F681-F869 HydrophobicContact CE1-CE1 3.97Å; F681-F869 AromaticContact CE1-CE2 3.92Å; F681-F869 HydrophobicContact CE1-CE2 3.92Å; F681-F869 AromaticContact CE1-CG 3.69Å; F681-F869 HydrophobicContact CE1-CG 3.69Å; F681-F869 HydrophobicContact CE1-CZ 4.02Å; F681-F869 HydrophobicContact CZ-CB 4.24Å; F681-F869 HydrophobicContact CZ-CD2 4.27Å; F681-F869 HydrophobicContact CZ-CG 4.13Å
682	Y	94.7	Very high	95	Very high	99 Å²	99	37.9 Å²	37.9	39%	0.388	19%	0.194	S	C	.	.	H	α-helix	trans	-59.2	-45.7	175.9	-79.5	-69.2	0	0	0	112.2	T678 D679 F684 E685 E686 I760 F869	T678-Y682 HydrophobicContact CG2-CD2 3.82Å; T678-Y682 HydrophobicContact CG2-CE2 3.52Å; T678-Y682 VanDerWaalsContact O-CD2 3.28Å; T678-Y682 WeakPolarHBondContact O-CD2 3.49Å; T678-Y682 PolarHBondContact O-N 2.79Å; T678-Y682 VanDerWaalsContact O-N 3.08Å; D679-Y682 PolarHBondContact O-N 3.45Å; Y682-F684 VanDerWaalsContact C-N 3.34Å; Y682-F684 PolarHBondContact O-N 2.92Å; Y682-E685 PolarHBondContact O-N 3.09Å; Y682-E686 WeakPolarHBondContact O-CB 3.5Å; Y682-E686 PolarHBondContact O-N 3.11Å; Y682-I760 HydrophobicContact CE2-CD1 4.26Å; Y682-F869 HydrophobicContact CD1-CE1 4.09Å; Y682-F869 HydrophobicContact CD1-CZ 4.36Å; Y682-F869 AromaticContact CE1-CE1 3.57Å; Y682-F869 HydrophobicContact CE1-CE1 3.57Å; Y682-F869 AromaticContact CE1-CZ 3.57Å; Y682-F869 HydrophobicContact CE1-CZ 3.57Å; Y682-F869 AromaticContact CZ-CZ 3.8Å
683	F	94.6	Very high	94.8	Very high	5 Å²	5	45.5 Å²	45.5	2%	0.022	22%	0.222	C	C	.	.	H	α-helix	trans	-65	-35.7	177.2	176.4	-99.8	0	0	0	112.7	V648 R650 I653 V670 D679 F681 I687	V648-F683 HydrophobicContact CB-CZ 4.1Å; V648-F683 HydrophobicContact CG1-CE2 4.04Å; V648-F683 HydrophobicContact CG1-CZ 3.9Å; R650-F683 HydrophobicContact CB-CD2 4.16Å; R650-F683 HydrophobicContact CB-CE2 3.8Å; I653-F683 HydrophobicContact CG2-CB 4.34Å; I653-F683 HydrophobicContact CG2-CD1 3.49Å; I653-F683 VanDerWaalsContact CG2-CD1 3.49Å; I653-F683 HydrophobicContact CG2-CE1 3.85Å; I653-F683 HydrophobicContact CG2-CG 3.99Å; V670-F683 HydrophobicContact CG1-CD1 3.87Å; V670-F683 HydrophobicContact CG1-CE1 4.35Å; V670-F683 HydrophobicContact CG2-CD1 4.06Å; V670-F683 HydrophobicContact CG2-CE1 4.17Å; D679-F683 WeakPolarHBondContact O-CB 3.49Å; D679-F683 PolarHBondContact O-N 3.35Å; F681-F683 PolarHBondContact O-N 2.98Å; F683-I687 HydrophobicContact CD1-CD1 4.12Å; F683-I687 HydrophobicContact CD2-CD1 4.49Å; F683-I687 HydrophobicContact CE1-CD1 3.66Å; F683-I687 HydrophobicContact CE2-CD1 4.07Å; F683-I687 HydrophobicContact CZ-CD1 3.65Å; F683-I687 WeakPolarHBondContact O-CG1 3.4Å; F683-I687 PolarHBondContact O-N 3.03Å
684	F	96.6	Very high	94.7	Very high	2 Å²	2	45 Å²	45	1%	0.009	22%	0.219	C	C	.	.	H	α-helix	trans	-66.6	-47.2	173.7	172.7	-93.4	0	0	0	112.3	I601 L668 V670 C680 F681 Y682 I687 L688 F755	I601-F684 HydrophobicContact CB-CE2 4.27Å; I601-F684 HydrophobicContact CB-CZ 3.85Å; I601-F684 HydrophobicContact CG2-CE2 3.64Å; I601-F684 HydrophobicContact CG2-CZ 3.48Å; I601-F684 VanDerWaalsContact CG2-CZ 3.48Å; L668-F684 HydrophobicContact CD2-CD2 3.85Å; L668-F684 HydrophobicContact CD2-CE2 3.97Å; L668-F684 HydrophobicContact CG-CD2 4.22Å; L668-F684 HydrophobicContact CG-CE2 4.23Å; V670-F684 HydrophobicContact CB-CB 4.25Å; V670-F684 HydrophobicContact CB-CD2 4.09Å; V670-F684 HydrophobicContact CG1-CB 4.4Å; V670-F684 HydrophobicContact CG2-CB 4Å; V670-F684 HydrophobicContact CG2-CD2 3.82Å; V670-F684 HydrophobicContact CG2-CG 4.42Å; C680-F684 WeakPolarHBondContact O-CB 3.34Å; C680-F684 PolarHBondContact O-N 3.23Å; F681-F684 PolarHBondContact O-N 3.14Å; Y682-F684 VanDerWaalsContact C-N 3.34Å; Y682-F684 PolarHBondContact O-N 2.92Å; F684-I687 PolarHBondContact O-N 2.69Å; F684-L688 HydrophobicContact CE1-CD2 4.14Å; F684-L688 VanDerWaalsContact O-CB 3.3Å; F684-L688 WeakPolarHBondContact O-CB 3.47Å; F684-L688 PolarHBondContact O-N 3.08Å; F684-F755 HydrophobicContact CB-CE2 3.83Å; F684-F755 HydrophobicContact CB-CZ 3.71Å; F684-F755 HydrophobicContact CD1-CE2 4.24Å; F684-F755 HydrophobicContact CD2-CZ 4.12Å; F684-F755 AromaticContact CG-CE2 3.97Å; F684-F755 HydrophobicContact CG-CE2 3.97Å; F684-F755 AromaticContact CG-CZ 3.93Å; F684-F755 HydrophobicContact CG-CZ 3.93Å
685	E	94.9	Very high	94.6	Very high	18 Å²	18	42.2 Å²	42.2	8%	0.084	20%	0.202	C	C	.	.	H	α-helix	trans	-65.9	-36.7	175.4	-75.7	-68.7	141	0	0	111.7	F681 Y682 I687 L688 N689 Y867	F681-E685 HydrophobicContact CD1-CG 4.26Å; F681-E685 HydrophobicContact CE1-CG 3.7Å; F681-E685 HydrophobicContact CE2-CG 4.14Å; F681-E685 HydrophobicContact CZ-CG 3.62Å; F681-E685 PolarHBondContact O-N 3.12Å; Y682-E685 PolarHBondContact O-N 3.09Å; E685-I687 PolarHBondContact O-N 3.07Å; E685-L688 PolarHBondContact O-N 2.68Å; E685-N689 WeakPolarHBondContact O-CB 3.36Å; E685-N689 PolarHBondContact O-N 2.7Å; E685-N689 PolarHBondContact O-ND2 2.98Å; E685-N689 PolarHBondContact OE2-ND2 3.44Å; E685-Y867 WeakPolarHBondContact OE1-CE2 3.46Å; E685-Y867 PolarHBondContact OE1-OH 3.28Å
686	E	93	Very high	94.3	Very high	98 Å²	98	41.6 Å²	41.6	46%	0.458	19%	0.193	S	C	.	.	H	α-helix	trans	-56.3	-49.3	174.8	-175	-176.1	156.3	0	0	111.4	R650 Y682 L690	R650-E686 IonicContact CZ-OE1 2.87Å; R650-E686 IonicContact CZ-OE2 3.84Å; R650-E686 IonicContact NH1-OE1 2.79Å; R650-E686 IonicContact NH1-OE2 3.94Å; R650-E686 PolarHBondContact NH1-OE2 3.49Å; R650-E686 IonicContact NH2-OE1 3.97Å; R650-E686 PolarHBondContact NH2-OE1 3.21Å; R650-E686 IonicContact NH2-OE2 2.76Å; R650-E686 PolarHBondContact NH2-OE2 2.89Å; Y682-E686 WeakPolarHBondContact O-CB 3.5Å; Y682-E686 PolarHBondContact O-N 3.11Å; E686-L690 PolarHBondContact O-N 3.37Å; E686-L690 VanDerWaalsContact O-N 3.12Å
687	I	95.6	Very high	93.9	Very high	10 Å²	10	42.7 Å²	42.7	5%	0.051	20%	0.199	C	C	.	.	H	α-helix	trans	-70.3	-39.3	177.9	-62.2	169.5	0	0	0	111.2	L624 V648 L668 F683 F684 E685 L690 I691	L624-I687 HydrophobicContact CD2-CG2 4.43Å; V648-I687 HydrophobicContact CB-CD1 4.39Å; V648-I687 HydrophobicContact CG2-CD1 4.48Å; L668-I687 HydrophobicContact CD1-CB 4.47Å; L668-I687 HydrophobicContact CD1-CG2 3.79Å; L668-I687 HydrophobicContact CD2-CB 4.1Å; L668-I687 HydrophobicContact CD2-CG2 3.87Å; L668-I687 HydrophobicContact CG-CG2 4.48Å; F683-I687 HydrophobicContact CD1-CD1 4.12Å; F683-I687 HydrophobicContact CD2-CD1 4.49Å; F683-I687 HydrophobicContact CE1-CD1 3.66Å; F683-I687 HydrophobicContact CE2-CD1 4.07Å; F683-I687 HydrophobicContact CZ-CD1 3.65Å; F683-I687 WeakPolarHBondContact O-CG1 3.4Å; F683-I687 PolarHBondContact O-N 3.03Å; F684-I687 PolarHBondContact O-N 2.69Å; E685-I687 PolarHBondContact O-N 3.07Å; I687-L690 PolarHBondContact O-N 2.66Å; I687-I691 HydrophobicContact CG2-CD1 3.93Å; I687-I691 HydrophobicContact CG2-CG1 4.46Å; I687-I691 WeakPolarHBondContact O-CD1 3.37Å; I687-I691 VanDerWaalsContact O-CG1 3.26Å; I687-I691 WeakPolarHBondContact O-CG1 3.45Å; I687-I691 PolarHBondContact O-N 3.01Å
688	L	95.6	Very high	93.6	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-62.2	-45.4	177.9	178.8	56.5	0	0	0	111.9	I601 L603 L668 F684 E685 I691 E692	I601-L688 HydrophobicContact CD1-CD1 4.27Å; I601-L688 HydrophobicContact CD1-CD2 4.23Å; I601-L688 HydrophobicContact CG2-CD1 4.5Å; L603-L688 HydrophobicContact CD1-CD1 3.91Å; L603-L688 HydrophobicContact CD2-CD1 3.95Å; L603-L688 HydrophobicContact CG-CD1 4.41Å; L668-L688 HydrophobicContact CD2-CB 4.49Å; F684-L688 HydrophobicContact CE1-CD2 4.14Å; F684-L688 VanDerWaalsContact O-CB 3.3Å; F684-L688 WeakPolarHBondContact O-CB 3.47Å; F684-L688 PolarHBondContact O-N 3.08Å; E685-L688 PolarHBondContact O-N 2.68Å; L688-I691 PolarHBondContact O-N 3.05Å; L688-E692 HydrophobicContact CD1-CG 4.17Å; L688-E692 PolarHBondContact O-N 2.72Å
689	N	93.9	Very high	93.3	Very high	85 Å²	85	41.1 Å²	41.1	46%	0.455	19%	0.191	S	C	.	.	H	α-helix	trans	-66.1	-36.5	177	-75.8	-71.7	0	0	0	111.8	E685 R693	E685-N689 WeakPolarHBondContact O-CB 3.36Å; E685-N689 PolarHBondContact O-N 2.7Å; E685-N689 PolarHBondContact O-ND2 2.98Å; E685-N689 PolarHBondContact OE2-ND2 3.44Å; N689-R693 WeakPolarHBondContact O-CB 3.43Å; N689-R693 PolarHBondContact O-N 2.92Å
690	L	94.3	Very high	92.9	Very high	32 Å²	32	38.3 Å²	38.3	17%	0.168	18%	0.177	C	C	.	.	H	α-helix	trans	-61	-44.1	171.5	-177.6	155.4	0	0	0	111.5	V620 N623 L624 C627 E686 I687 T694	V620-L690 HydrophobicContact CG1-CD2 4.28Å; N623-L690 HydrophobicContact CB-CD2 4.06Å; N623-L690 HydrophobicContact CB-CG 4.47Å; L624-L690 HydrophobicContact CD2-CD1 4.09Å; L624-L690 HydrophobicContact CD2-CD2 3.94Å; L624-L690 HydrophobicContact CG-CD2 3.93Å; C627-L690 HydrophobicContact CB-CD1 3.94Å; E686-L690 PolarHBondContact O-N 3.37Å; E686-L690 VanDerWaalsContact O-N 3.12Å; I687-L690 PolarHBondContact O-N 2.66Å; L690-T694 VanDerWaalsContact O-CB 3.31Å; L690-T694 WeakPolarHBondContact O-CB 3.25Å; L690-T694 PolarHBondContact O-N 3.19Å; L690-T694 PolarHBondContact O-OG1 3.07Å
691	I	95.4	Very high	92.4	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-63.2	-52.7	177.4	-65.1	159.9	0	0	0	110.6	L603 V620 L657 L666 L668 I687 L688 R693 T694 V695	L603-I691 HydrophobicContact CD1-CB 4.33Å; L603-I691 HydrophobicContact CD1-CD1 4.42Å; L603-I691 HydrophobicContact CD1-CG2 3.56Å; V620-I691 HydrophobicContact CG1-CG1 3.85Å; V620-I691 HydrophobicContact CG2-CG1 4.48Å; V620-I691 HydrophobicContact CG2-CG2 4.23Å; L657-I691 HydrophobicContact CD1-CD1 3.74Å; L657-I691 HydrophobicContact CD2-CD1 4.24Å; L657-I691 HydrophobicContact CD2-CG1 4.45Å; L666-I691 HydrophobicContact CD1-CG2 3.8Å; L668-I691 HydrophobicContact CD2-CD1 4.39Å; I687-I691 HydrophobicContact CG2-CD1 3.93Å; I687-I691 HydrophobicContact CG2-CG1 4.46Å; I687-I691 WeakPolarHBondContact O-CD1 3.37Å; I687-I691 VanDerWaalsContact O-CG1 3.26Å; I687-I691 WeakPolarHBondContact O-CG1 3.45Å; I687-I691 PolarHBondContact O-N 3.01Å; L688-I691 PolarHBondContact O-N 3.05Å; I691-R693 PolarHBondContact O-N 3.38Å; I691-T694 WeakPolarHBondContact O-CB 3.49Å; I691-T694 PolarHBondContact O-N 3.32Å; I691-V695 HydrophobicContact CG2-CG2 4.42Å; I691-V695 WeakPolarHBondContact O-CB 3.23Å; I691-V695 VanDerWaalsContact O-CG2 3.28Å; I691-V695 WeakPolarHBondContact O-CG2 3.47Å; I691-V695 PolarHBondContact O-N 3.46Å
692	E	92.8	Very high	91.8	Very high	51 Å²	51	39.9 Å²	39.9	24%	0.238	19%	0.19	C	C	.	.	H	α-helix	trans	-65.9	-38.8	-175.6	-71.3	-174.4	173.9	0	0	112.2	L688 V695 F696 R706	L688-E692 HydrophobicContact CD1-CG 4.17Å; L688-E692 PolarHBondContact O-N 2.72Å; E692-V695 PolarHBondContact O-N 2.9Å; E692-F696 WeakPolarHBondContact O-CB 3.48Å; E692-F696 PolarHBondContact O-N 3.41Å; E692-R706 VanDerWaalsContact CD-NH2 3.29Å; E692-R706 IonicContact OE1-CZ 3.79Å; E692-R706 IonicContact OE1-NE 3.8Å; E692-R706 PolarHBondContact OE1-NE 2.83Å; E692-R706 IonicContact OE1-NH2 3.79Å; E692-R706 PolarHBondContact OE1-NH2 3.37Å; E692-R706 IonicContact OE2-CZ 2.67Å; E692-R706 IonicContact OE2-NE 2.74Å; E692-R706 IonicContact OE2-NH2 3.11Å; E692-R706 PolarHBondContact OE2-NH2 2.92Å
693	R	92	Very high	91.3	Very high	160 Å²	160	36.9 Å²	36.9	60%	0.604	18%	0.181	S	C	*	.	H	α-helix	trans	-60.7	-50.1	171.2	179.3	172.1	179.5	159.1	1.8	111.8	N689 I691 V695 F696 D697	N689-R693 WeakPolarHBondContact O-CB 3.43Å; N689-R693 PolarHBondContact O-N 2.92Å; I691-R693 PolarHBondContact O-N 3.38Å; R693-V695 PolarHBondContact O-N 3.33Å; R693-F696 PolarHBondContact O-N 3.21Å; R693-F696 VanDerWaalsContact O-N 3.12Å; R693-D697 WeakPolarHBondContact CG-OD2 3.49Å; R693-D697 IonicContact NE-OD2 2.79Å; R693-D697 VanDerWaalsContact O-CG 3.26Å; R693-D697 PolarHBondContact O-N 3.15Å
694	T	92.4	Very high	91.1	Very high	2 Å²	2	38.1 Å²	38.1	1%	0.012	19%	0.187	C	C	.	.	H	α-helix	trans	-55.9	-38.6	177.3	-57.7	0	0	0	0	112	R619 V620 N623 L690 I691 V698	R619-T694 HydrophobicContact CB-CG2 3.71Å; V620-T694 HydrophobicContact CB-CG2 4.5Å; V620-T694 HydrophobicContact CG2-CG2 3.75Å; N623-T694 WeakPolarHBondContact ND2-CG2 3.37Å; N623-T694 PolarHBondContact ND2-OG1 3.22Å; L690-T694 VanDerWaalsContact O-CB 3.31Å; L690-T694 WeakPolarHBondContact O-CB 3.25Å; L690-T694 PolarHBondContact O-N 3.19Å; L690-T694 PolarHBondContact O-OG1 3.07Å; I691-T694 WeakPolarHBondContact O-CB 3.49Å; I691-T694 PolarHBondContact O-N 3.32Å; T694-V698 WeakPolarHBondContact O-CB 3.22Å; T694-V698 VanDerWaalsContact O-CG2 3.25Å; T694-V698 WeakPolarHBondContact O-CG2 3.4Å; T694-V698 PolarHBondContact O-N 2.96Å
695	V	91.9	Very high	90.9	Very high	5 Å²	5	38.6 Å²	38.6	3%	0.03	19%	0.19	C	C	.	.	H	α-helix	trans	-73.3	-38.5	179.8	170.7	0	0	0	0	111.7	L616 I691 E692 R693 S699 I702 L704	L616-V695 HydrophobicContact CB-CG2 4.21Å; L616-V695 HydrophobicContact CD1-CG1 4.04Å; L616-V695 HydrophobicContact CD1-CG2 4.22Å; L616-V695 HydrophobicContact CD2-CG1 4.43Å; L616-V695 HydrophobicContact CD2-CG2 4.32Å; L616-V695 HydrophobicContact CG-CG2 4.48Å; I691-V695 HydrophobicContact CG2-CG2 4.42Å; I691-V695 WeakPolarHBondContact O-CB 3.23Å; I691-V695 VanDerWaalsContact O-CG2 3.28Å; I691-V695 WeakPolarHBondContact O-CG2 3.47Å; I691-V695 PolarHBondContact O-N 3.46Å; E692-V695 PolarHBondContact O-N 2.9Å; R693-V695 PolarHBondContact O-N 3.33Å; V695-S699 CarbonylContact O-C 3.49Å; V695-S699 WeakPolarHBondContact O-CA 3.12Å; V695-S699 PolarHBondContact O-N 2.97Å; V695-I702 HydrophobicContact CG1-CG2 3.24Å; V695-L704 HydrophobicContact CB-CD1 4.27Å; V695-L704 HydrophobicContact CG1-CD1 4Å; V695-L704 HydrophobicContact CG1-CG 4.24Å; V695-L704 HydrophobicContact CG2-CD1 4.15Å
696	F	89.4	Confident	90.8	Very high	118 Å²	118	39.1 Å²	39.1	52%	0.518	19%	0.191	S	C	.	.	H	α-helix	trans	-63.6	-44.2	172.7	-178.2	-98.6	0	0	0	112.1	E692 R693 V698 P700	E692-F696 WeakPolarHBondContact O-CB 3.48Å; E692-F696 PolarHBondContact O-N 3.41Å; R693-F696 PolarHBondContact O-N 3.21Å; R693-F696 VanDerWaalsContact O-N 3.12Å; F696-V698 VanDerWaalsContact C-N 3.32Å; F696-V698 PolarHBondContact O-N 3.23Å; F696-P700 HydrophobicContact CD2-CB 4.21Å; F696-P700 HydrophobicContact CE2-CB 4.17Å; F696-P700 WeakPolarHBondContact O-CA 3.46Å; F696-P700 WeakPolarHBondContact O-CB 3.46Å; F696-P700 VanDerWaalsContact O-CD 3.23Å; F696-P700 WeakPolarHBondContact O-CD 3.5Å
697	D	86.9	Confident	90.9	Very high	79 Å²	79	35.5 Å²	35.5	42%	0.422	17%	0.174	S	C	.	.	H	α-helix	trans	-67.9	-29.2	-178.3	-66.1	-25.7	0	0	0	112.8	R693	R693-D697 WeakPolarHBondContact CG-OD2 3.49Å; R693-D697 IonicContact NE-OD2 2.79Å; R693-D697 VanDerWaalsContact O-CG 3.26Å; R693-D697 PolarHBondContact O-N 3.15Å
698	V	88.2	Confident	90.9	Very high	12 Å²	12	35.1 Å²	35.1	7%	0.073	17%	0.172	C	C	.	.	H	α-helix	trans	-97.5	-27.9	-178.5	173.7	0	0	0	0	112.9	D293 L616 R619 T694 F696	D293-V698 HydrophobicContact CB-CG1 4.29Å; D293-V698 WeakPolarHBondContact CB-O 3.31Å; L616-V698 HydrophobicContact CD2-CB 4.03Å; L616-V698 HydrophobicContact CD2-CG1 3.71Å; R619-V698 HydrophobicContact CB-CG2 4.06Å; R619-V698 HydrophobicContact CG-CG1 4.11Å; R619-V698 HydrophobicContact CG-CG2 3.87Å; T694-V698 WeakPolarHBondContact O-CB 3.22Å; T694-V698 VanDerWaalsContact O-CG2 3.25Å; T694-V698 WeakPolarHBondContact O-CG2 3.4Å; T694-V698 PolarHBondContact O-N 2.96Å; F696-V698 VanDerWaalsContact C-N 3.32Å; F696-V698 PolarHBondContact O-N 3.23Å
699	S	89.7	Confident	91	Very high	7 Å²	7	35.1 Å²	35.1	5%	0.049	17%	0.172	C	C	.	.			trans	-154.7	68.7	-174.7	-78.3	0	0	0	0	111.8	S329 V695 G701 I702	S329-S699 CarbonylContact O-C 3.57Å; S329-S699 WeakPolarHBondContact O-CA 3.25Å; V695-S699 CarbonylContact O-C 3.49Å; V695-S699 WeakPolarHBondContact O-CA 3.12Å; V695-S699 PolarHBondContact O-N 2.97Å; S699-G701 PolarHBondContact O-N 2.77Å; S699-I702 VanDerWaalsContact O-CG2 3.25Å; S699-I702 WeakPolarHBondContact O-CG2 3.49Å; S699-I702 PolarHBondContact O-N 2.8Å
700	P	86.4	Confident	91.1	Very high	22 Å²	22	31 Å²	31	14%	0.143	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-13.2	-174.1	26.1	-35.1	0	0	0	114.5	P333 F696	P333-P700 WeakPolarHBondContact CD-O 3.43Å; F696-P700 HydrophobicContact CD2-CB 4.21Å; F696-P700 HydrophobicContact CE2-CB 4.17Å; F696-P700 WeakPolarHBondContact O-CA 3.46Å; F696-P700 WeakPolarHBondContact O-CB 3.46Å; F696-P700 VanDerWaalsContact O-CD 3.23Å; F696-P700 WeakPolarHBondContact O-CD 3.5Å
701	G	85.2	Confident	91.1	Very high	21 Å²	21	30.2 Å²	30.2	22%	0.216	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.1	-2.4	172.9	0	0	0	0	0	115.2	S329 F331 S699	S329-G701 PolarHBondContact O-N 3.39Å; F331-G701 PolarHBondContact O-N 3.46Å; S699-G701 PolarHBondContact O-N 2.77Å
702	I	85.4	Confident	91.1	Very high	11 Å²	11	33 Å²	33	6%	0.056	16%	0.162	C	C	.	.			trans	-91.9	139.2	173.4	-148.6	174.4	0	0	0	110.3	P605 M609 L612 L616 V695 S699	P605-I702 HydrophobicContact CB-CD1 3.74Å; P605-I702 HydrophobicContact CB-CG1 4.12Å; M609-I702 HydrophobicContact CB-CD1 4.05Å; M609-I702 HydrophobicContact CB-CG1 4.16Å; M609-I702 HydrophobicContact SD-CG1 3.89Å; L612-I702 HydrophobicContact CB-CD1 4.33Å; L612-I702 HydrophobicContact CD1-CD1 4.13Å; L616-I702 HydrophobicContact CD1-CD1 3.8Å; L616-I702 HydrophobicContact CD1-CG2 4.41Å; V695-I702 HydrophobicContact CG1-CG2 3.24Å; S699-I702 VanDerWaalsContact O-CG2 3.25Å; S699-I702 WeakPolarHBondContact O-CG2 3.49Å; S699-I702 PolarHBondContact O-N 2.8Å
703	L	83.4	Confident	91.1	Very high	36 Å²	36	30.7 Å²	30.7	19%	0.188	15%	0.151	C	C	.	.			trans	-114.4	138.7	166.3	-67.1	171.5	0	0	0	108.8	P605 R606	P605-L703 WeakPolarHBondContact CA-O 3.28Å; R606-L703 HydrophobicContact CG-CB 4.24Å; R606-L703 PolarHBondContact N-O 2.92Å
704	L	89.7	Confident	91.3	Very high	31 Å²	31	23.2 Å²	23.2	16%	0.162	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	121.6	176.2	-57.9	-179.8	0	0	0	109.7	L603 P605 V695	L603-L704 HydrophobicContact CB-CB 4.42Å; L603-L704 HydrophobicContact CB-CD1 4.14Å; L603-L704 HydrophobicContact CD1-CD1 4.2Å; L603-L704 HydrophobicContact CD2-CB 4.49Å; P605-L704 HydrophobicContact CB-CD2 4.14Å; V695-L704 HydrophobicContact CB-CD1 4.27Å; V695-L704 HydrophobicContact CG1-CD1 4Å; V695-L704 HydrophobicContact CG1-CG 4.24Å; V695-L704 HydrophobicContact CG2-CD1 4.15Å
705	E	92	Very high	91.3	Very high	13 Å²	13	25.5 Å²	25.5	6%	0.061	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	128.7	168.2	-60.2	-178.1	-176.9	0	0	108.9	V604 H707 P726 R862	V604-E705 HydrophobicContact CB-CB 4.46Å; V604-E705 PolarHBondContact N-O 3.07Å; V604-E705 VanDerWaalsContact N-O 3.11Å; V604-E705 WeakPolarHBondContact O-CB 3.43Å; V604-E705 PolarHBondContact O-N 3.45Å; E705-H707 VanDerWaalsContact CB-NE2 3.31Å; E705-H707 WeakPolarHBondContact CB-NE2 3.29Å; E705-H707 PolarHBondContact O-CD2 3.28Å; E705-H707 PolarHBondContact O-N 3.3Å; E705-H707 IonicContact OE2-CD2 3.6Å; E705-H707 IonicContact OE2-CE1 3.87Å; E705-H707 PolarHBondContact OE2-CE1 3.42Å; E705-H707 IonicContact OE2-NE2 2.7Å; E705-H707 PolarHBondContact OE2-NE2 3.38Å; E705-P726 HydrophobicContact CB-CG 4.16Å; E705-R862 HydrophobicContact CG-CB 4.07Å; E705-R862 HydrophobicContact CG-CG 4.33Å; E705-R862 WeakPolarHBondContact OE1-CD 3.34Å; E705-R862 VanDerWaalsContact OE1-CG 3.24Å; E705-R862 WeakPolarHBondContact OE1-CG 3.47Å; E705-R862 IonicContact OE1-CZ 2.78Å; E705-R862 IonicContact OE1-NE 2.71Å; E705-R862 IonicContact OE1-NH1 3.19Å; E705-R862 PolarHBondContact OE1-NH1 3.03Å; E705-R862 IonicContact OE2-NH1 3.64Å
706	R	93.6	Very high	91.3	Very high	29 Å²	29	33.3 Å²	33.3	11%	0.109	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	91.1	179.2	-72.3	-162.7	179.4	-176.6	4.3	111.8	I601 L603 E692 F708 P726 P866	I601-R706 HydrophobicContact CD1-CB 3.71Å; I601-R706 HydrophobicContact CD1-CG 3.77Å; L603-R706 HydrophobicContact CD2-CG 4.11Å; E692-R706 VanDerWaalsContact CD-NH2 3.29Å; E692-R706 IonicContact OE1-CZ 3.79Å; E692-R706 IonicContact OE1-NE 3.8Å; E692-R706 PolarHBondContact OE1-NE 2.83Å; E692-R706 IonicContact OE1-NH2 3.79Å; E692-R706 PolarHBondContact OE1-NH2 3.37Å; E692-R706 IonicContact OE2-CZ 2.67Å; E692-R706 IonicContact OE2-NE 2.74Å; E692-R706 IonicContact OE2-NH2 3.11Å; E692-R706 PolarHBondContact OE2-NH2 2.92Å; R706-F708 HydrophobicContact CB-CE2 3.98Å; R706-P726 WeakPolarHBondContact O-CG 3.33Å; R706-P866 HydrophobicContact CB-CG 4.4Å
707	H	94.8	Very high	91.4	Very high	22 Å²	22	30.3 Å²	30.3	10%	0.102	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	112.1	-179.7	-66.3	-111.4	0	0	0	111.4	I601 R602 E705 V723 Y724	I601-H707 CarbonylContact C-O 3.6Å; I601-H707 WeakPolarHBondContact CA-O 3.42Å; R602-H707 HydrophobicContact CB-CB 4.34Å; R602-H707 PolarHBondContact N-O 3.17Å; R602-H707 WeakPolarHBondContact O-CB 3.24Å; R602-H707 PolarHBondContact O-N 2.73Å; E705-H707 VanDerWaalsContact CB-NE2 3.31Å; E705-H707 WeakPolarHBondContact CB-NE2 3.29Å; E705-H707 PolarHBondContact O-CD2 3.28Å; E705-H707 PolarHBondContact O-N 3.3Å; E705-H707 IonicContact OE2-CD2 3.6Å; E705-H707 IonicContact OE2-CE1 3.87Å; E705-H707 PolarHBondContact OE2-CE1 3.42Å; E705-H707 IonicContact OE2-NE2 2.7Å; E705-H707 PolarHBondContact OE2-NE2 3.38Å; H707-V723 HydrophobicContact CB-CG1 3.71Å; H707-Y724 CarbonylContact C-O 3.54Å
708	F	96.4	Very high	91.6	Very high	1 Å²	1	28.5 Å²	28.5	0%	0.004	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	155.3	-174.6	-73.5	-101.6	0	0	0	112.7	I601 R706 V723 Y724 I729 I752 V753 P866 Y867	I601-F708 HydrophobicContact CD1-CE1 4.39Å; I601-F708 HydrophobicContact CD1-CE2 4.1Å; I601-F708 HydrophobicContact CD1-CZ 3.91Å; R706-F708 HydrophobicContact CB-CE2 3.98Å; F708-V723 CarbonylContact O-C 3.43Å; F708-V723 WeakPolarHBondContact O-CA 3.34Å; F708-Y724 PolarHBondContact N-O 3.29Å; F708-Y724 PolarHBondContact O-N 3.42Å; F708-I729 HydrophobicContact CB-CD1 4.12Å; F708-I729 HydrophobicContact CD2-CD1 3.34Å; F708-I729 HydrophobicContact CE2-CD1 4.08Å; F708-I729 HydrophobicContact CG-CD1 3.94Å; F708-I752 HydrophobicContact CB-CG2 3.65Å; F708-I752 HydrophobicContact CD1-CG2 4.24Å; F708-I752 HydrophobicContact CG-CG2 4.21Å; F708-V753 HydrophobicContact CD1-CG2 4.08Å; F708-V753 HydrophobicContact CE1-CG2 4.05Å; F708-P866 HydrophobicContact CE2-CG 4.24Å; F708-Y867 HydrophobicContact CE1-CE1 4.02Å; F708-Y867 HydrophobicContact CE2-CE1 4.39Å; F708-Y867 AromaticContact CZ-CE1 3.52Å; F708-Y867 HydrophobicContact CZ-CE1 3.52Å
709	L	96.4	Very high	91.6	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	149.8	-179.4	-59.9	-174	0	0	0	111.7	G600 E667 R669 P711 L714 V721 V723	G600-L709 PolarHBondContact O-N 3.27Å; E667-L709 HydrophobicContact CG-CD1 3.79Å; R669-L709 HydrophobicContact CG-CD1 4.28Å; L709-P711 WeakPolarHBondContact O-CD 3.22Å; L709-L714 HydrophobicContact CB-CD1 3.93Å; L709-L714 HydrophobicContact CB-CG 4.44Å; L709-L714 HydrophobicContact CD1-CD1 4.37Å; L709-L714 HydrophobicContact CD1-CD2 4.23Å; L709-V721 HydrophobicContact CB-CG1 3.85Å; L709-V721 HydrophobicContact CD1-CG1 4.35Å; L709-V721 HydrophobicContact CD2-CG1 4.16Å; L709-V721 HydrophobicContact CG-CG1 4.34Å; L709-V723 HydrophobicContact CD2-CG2 3.93Å
710	S	95.9	Very high	91.5	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	22%	0.218	C	C	.	.			trans	-65.3	119.7	173.4	162.1	0	0	0	0	111.9	N712 D713 L714 C722 E747	S710-N712 VanDerWaalsContact C-N 3.25Å; S710-N712 PolarHBondContact O-N 2.95Å; S710-N712 PolarHBondContact OG-N 3.03Å; S710-D713 PolarHBondContact O-N 3.16Å; S710-D713 PolarHBondContact OG-N 3.22Å; S710-L714 WeakPolarHBondContact O-CG 3.34Å; S710-L714 PolarHBondContact O-N 3.19Å; S710-L714 VanDerWaalsContact O-N 3.08Å; S710-C722 PolarHBondContact N-O 2.79Å; S710-E747 VanDerWaalsContact CA-OE2 3.3Å; S710-E747 WeakPolarHBondContact CA-OE2 3.39Å; S710-E747 WeakPolarHBondContact CB-OE2 3.46Å; S710-E747 PolarHBondContact OG-OE1 2.85Å; S710-E747 PolarHBondContact OG-OE2 2.89Å
711	P	95.9	Very high	91.8	Very high	14 Å²	14	39.6 Å²	39.6	9%	0.091	22%	0.216	C	C	.	.	H	α-helix	trans	-63.1	-28.5	173.1	26.3	-37.5	0	0	0	113	Y598 L709 S715 E747 D751 I752	Y598-P711 VanDerWaalsContact O-CB 3.27Å; Y598-P711 WeakPolarHBondContact O-CB 3.37Å; L709-P711 WeakPolarHBondContact O-CD 3.22Å; P711-S715 WeakPolarHBondContact O-CB 3.46Å; P711-S715 PolarHBondContact O-N 2.69Å; P711-S715 PolarHBondContact O-OG 3.07Å; P711-E747 WeakPolarHBondContact CD-OE2 3.42Å; P711-D751 HydrophobicContact CG-CB 4.16Å; P711-I752 HydrophobicContact CG-CG1 4.31Å
712	N	93.9	Very high	92.2	Very high	60 Å²	60	39.6 Å²	39.6	32%	0.321	21%	0.212	S	C	.	.	H	α-helix	trans	-74.9	-36.3	177	-65.5	-71.5	0	0	0	112.7	S710 S715 R716 E747	S710-N712 VanDerWaalsContact C-N 3.25Å; S710-N712 PolarHBondContact O-N 2.95Å; S710-N712 PolarHBondContact OG-N 3.03Å; N712-S715 WeakPolarHBondContact CA-OG 3.31Å; N712-S715 PolarHBondContact O-OG 3.04Å; N712-R716 VanDerWaalsContact O-CB 3.28Å; N712-R716 WeakPolarHBondContact O-CB 3.45Å; N712-R716 VanDerWaalsContact O-CD 3.27Å; N712-R716 WeakPolarHBondContact O-CD 3.3Å; N712-R716 WeakPolarHBondContact O-CG 3.39Å; N712-R716 PolarHBondContact O-N 2.66Å; N712-R716 VanDerWaalsContact O-N 3.08Å; N712-E747 VanDerWaalsContact CB-OE1 3.3Å; N712-E747 WeakPolarHBondContact CB-OE1 3.37Å; N712-E747 VanDerWaalsContact ND2-CD 3.32Å; N712-E747 PolarHBondContact ND2-OE1 2.87Å
713	D	94.2	Very high	92.6	Very high	1 Å²	1	40.7 Å²	40.7	1%	0.005	22%	0.219	C	C	.	.	H	α-helix	trans	-70.4	-36.2	173.4	-79.6	-32.2	0	0	0	111.7	S710 R716 H717 C718 V721 C722 R745	S710-D713 PolarHBondContact O-N 3.16Å; S710-D713 PolarHBondContact OG-N 3.22Å; D713-R716 CarbonylContact O-C 3.5Å; D713-R716 PolarHBondContact O-N 3.22Å; D713-H717 PolarHBondContact O-N 3.14Å; D713-H717 VanDerWaalsContact O-N 3.11Å; D713-C718 HydrophobicContact CB-CB 3.96Å; D713-C718 PolarHBondContact O-N 3.3Å; D713-C718 PolarHBondContact OD1-SG 3.2Å; D713-V721 HydrophobicContact CB-CB 4.23Å; D713-V721 HydrophobicContact CB-CG1 3.9Å; D713-V721 HydrophobicContact CB-CG2 4.29Å; D713-C722 WeakPolarHBondContact OD2-CB 3.43Å; D713-C722 PolarHBondContact OD2-N 3.4Å; D713-R745 IonicContact OD1-CZ 3.52Å; D713-R745 IonicContact OD1-NH1 3.74Å; D713-R745 PolarHBondContact OD1-NH1 2.71Å; D713-R745 IonicContact OD1-NH2 2.65Å; D713-R745 IonicContact OD2-CZ 2.7Å; D713-R745 IonicContact OD2-NH1 3.7Å; D713-R745 PolarHBondContact OD2-NH1 3.17Å
714	L	94.9	Very high	93.2	Very high	3 Å²	3	39 Å²	39	2%	0.016	21%	0.21	C	C	.	.	H	α-helix	trans	-64.3	-48.2	174.6	-72.6	172.1	0	0	0	111.7	Y598 A599 R669 L709 S710 R716 H717 V721	Y598-L714 HydrophobicContact CD1-CB 3.96Å; Y598-L714 HydrophobicContact CG-CB 4.22Å; A599-L714 VanDerWaalsContact C-CD1 3.45Å; A599-L714 WeakPolarHBondContact O-CD1 3.36Å; R669-L714 HydrophobicContact CG-CD2 4.06Å; L709-L714 HydrophobicContact CB-CD1 3.93Å; L709-L714 HydrophobicContact CB-CG 4.44Å; L709-L714 HydrophobicContact CD1-CD1 4.37Å; L709-L714 HydrophobicContact CD1-CD2 4.23Å; S710-L714 WeakPolarHBondContact O-CG 3.34Å; S710-L714 PolarHBondContact O-N 3.19Å; S710-L714 VanDerWaalsContact O-N 3.08Å; L714-R716 VanDerWaalsContact C-N 3.27Å; L714-R716 PolarHBondContact O-N 2.96Å; L714-H717 PolarHBondContact O-CD2 3.34Å; L714-H717 PolarHBondContact O-N 3.24Å; L714-V721 HydrophobicContact CD2-CG1 4.29Å; L714-V721 HydrophobicContact CD2-CG2 4.16Å; L714-V721 HydrophobicContact CG-CG1 4.17Å
715	S	93.6	Very high	93.4	Very high	51 Å²	51	39.4 Å²	39.4	36%	0.357	21%	0.214	S	C	.	.	H	α-helix	trans	-68.9	-22	178	60.8	0	0	0	0	113.9	Y598 P711 N712	Y598-S715 VanDerWaalsContact CD2-CB 3.45Å; P711-S715 WeakPolarHBondContact O-CB 3.46Å; P711-S715 PolarHBondContact O-N 2.69Å; P711-S715 PolarHBondContact O-OG 3.07Å; N712-S715 WeakPolarHBondContact CA-OG 3.31Å; N712-S715 PolarHBondContact O-OG 3.04Å
716	R	92.3	Very high	93.4	Very high	168 Å²	168	39 Å²	39	63%	0.634	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.8	0.8	170.2	-67.4	168.8	-169.5	175.4	3.8	113.7	N712 D713 L714 C718	N712-R716 VanDerWaalsContact O-CB 3.28Å; N712-R716 WeakPolarHBondContact O-CB 3.45Å; N712-R716 VanDerWaalsContact O-CD 3.27Å; N712-R716 WeakPolarHBondContact O-CD 3.3Å; N712-R716 WeakPolarHBondContact O-CG 3.39Å; N712-R716 PolarHBondContact O-N 2.66Å; N712-R716 VanDerWaalsContact O-N 3.08Å; D713-R716 CarbonylContact O-C 3.5Å; D713-R716 PolarHBondContact O-N 3.22Å; L714-R716 VanDerWaalsContact C-N 3.27Å; L714-R716 PolarHBondContact O-N 2.96Å; R716-C718 PolarHBondContact O-N 3.31Å
717	H	91.2	Very high	93.4	Very high	56 Å²	56	40.7 Å²	40.7	26%	0.259	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.7	37.2	-177.2	-66.7	-113.5	0	0	0	113.2	W589 E590 R671 D713 L714	W589-H717 AromaticContact CD1-CE1 3.6Å; W589-H717 AromaticContact CD1-ND1 3.71Å; W589-H717 AromaticContact NE1-CE1 4Å; W589-H717 PolarHBondContact O-CE1 3.34Å; W589-H717 PolarHBondContact O-ND1 3.27Å; E590-H717 VanDerWaalsContact C-CE1 3.42Å; E590-H717 PolarHBondContact O-CE1 3.17Å; R671-H717 PolarHBondContact NH1-CE1 2.93Å; D713-H717 PolarHBondContact O-N 3.14Å; D713-H717 VanDerWaalsContact O-N 3.11Å; L714-H717 PolarHBondContact O-CD2 3.34Å; L714-H717 PolarHBondContact O-N 3.24Å
718	C	91.3	Very high	93.4	Very high	41 Å²	41	43.7 Å²	43.7	28%	0.277	23%	0.234	S	C	.	.			trans	-63.3	136.8	179.5	-67.4	0	0	0	0	111.7	D713 R716 V721	D713-C718 HydrophobicContact CB-CB 3.96Å; D713-C718 PolarHBondContact O-N 3.3Å; D713-C718 PolarHBondContact OD1-SG 3.2Å; R716-C718 PolarHBondContact O-N 3.31Å; C718-V721 WeakPolarHBondContact O-CG2 3.1Å
719	S	86.8	Confident	93.3	Very high	115 Å²	115	43.6 Å²	43.6	80%	0.804	23%	0.234	S	C	*	.	S	Bend	trans	-66.9	-38.7	176.9	51.6	0	0	0	0	112.7
720	N	89.1	Confident	93.3	Very high	143 Å²	143	43.7 Å²	43.7	77%	0.765	23%	0.234	S	C	*	.	S	Bend	trans	-106.8	88.6	174	-69	-26.9	0	0	0	109.5
721	V	92.3	Very high	93.2	Very high	16 Å²	16	46 Å²	46	10%	0.097	25%	0.245	C	C	.	.			trans	-72.7	130.4	176.6	179.6	0	0	0	0	110.3	L709 D713 L714 C718	L709-V721 HydrophobicContact CB-CG1 3.85Å; L709-V721 HydrophobicContact CD1-CG1 4.35Å; L709-V721 HydrophobicContact CD2-CG1 4.16Å; L709-V721 HydrophobicContact CG-CG1 4.34Å; D713-V721 HydrophobicContact CB-CB 4.23Å; D713-V721 HydrophobicContact CB-CG1 3.9Å; D713-V721 HydrophobicContact CB-CG2 4.29Å; L714-V721 HydrophobicContact CD2-CG1 4.29Å; L714-V721 HydrophobicContact CD2-CG2 4.16Å; L714-V721 HydrophobicContact CG-CG1 4.17Å; C718-V721 WeakPolarHBondContact O-CG2 3.1Å
722	C	93.9	Very high	93.2	Very high	20 Å²	20	45.8 Å²	45.8	14%	0.135	24%	0.243	C	C	.	.			trans	-64.4	139.4	174.9	-178.5	0	0	0	0	111	S710 D713 S742	S710-C722 PolarHBondContact N-O 2.79Å; D713-C722 WeakPolarHBondContact OD2-CB 3.43Å; D713-C722 PolarHBondContact OD2-N 3.4Å; C722-S742 PolarHBondContact SG-OG 3.46Å
723	V	93.5	Very high	93.3	Very high	35 Å²	35	43.2 Å²	43.2	21%	0.212	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	131.1	-174.7	-173.8	0	0	0	0	110.4	H707 F708 L709	H707-V723 HydrophobicContact CB-CG1 3.71Å; F708-V723 CarbonylContact O-C 3.43Å; F708-V723 WeakPolarHBondContact O-CA 3.34Å; L709-V723 HydrophobicContact CD2-CG2 3.93Å
724	Y	95	Very high	93.4	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	104	174.8	-63.6	-71.3	0	0	0	109.4	H707 F708 I740 E747 I752	H707-Y724 CarbonylContact C-O 3.54Å; F708-Y724 PolarHBondContact N-O 3.29Å; F708-Y724 PolarHBondContact O-N 3.42Å; Y724-I740 HydrophobicContact CD1-CB 4.05Å; Y724-I740 HydrophobicContact CD1-CG2 3.27Å; Y724-I740 HydrophobicContact CE1-CB 4.09Å; Y724-I740 HydrophobicContact CE1-CG2 3.67Å; Y724-I740 HydrophobicContact CG-CG2 4.04Å; Y724-E747 WeakPolarHBondContact CE2-OE2 3.39Å; Y724-E747 WeakPolarHBondContact OH-CG 3.3Å; Y724-E747 PolarHBondContact OH-OE2 3.41Å; Y724-I752 HydrophobicContact CD2-CD1 3.77Å; Y724-I752 HydrophobicContact CD2-CG1 4.28Å; Y724-I752 HydrophobicContact CD2-CG2 4.35Å; Y724-I752 HydrophobicContact CE2-CD1 3.61Å; Y724-I752 HydrophobicContact CE2-CG1 4.13Å; Y724-I752 HydrophobicContact CG-CD1 4.32Å
725	T	93.5	Very high	93.5	Very high	39 Å²	39	50.1 Å²	50.1	24%	0.239	26%	0.262	C	S	.	.			trans	-67.6	150.7	-179.9	56.3	0	0	0	0	111.2	N727 R728 I729	T725-N727 VanDerWaalsContact C-N 3.25Å; T725-N727 VanDerWaalsContact CB-OD1 3.24Å; T725-N727 WeakPolarHBondContact CB-OD1 3.38Å; T725-N727 PolarHBondContact O-N 2.78Å; T725-N727 VanDerWaalsContact O-N 3.13Å; T725-N727 PolarHBondContact OG1-OD1 2.75Å; T725-R728 WeakPolarHBondContact O-CB 3.35Å; T725-R728 PolarHBondContact O-N 2.75Å; T725-I729 PolarHBondContact O-N 3.02Å
726	P	93.2	Very high	93.5	Very high	6 Å²	6	55.2 Å²	55.2	4%	0.039	28%	0.28	C	S	.	.	H	α-helix	trans	-49.1	-43.6	-178.6	-29	31.5	0	0	0	114.1	E705 R706 R728 I729 I730 Y861	E705-P726 HydrophobicContact CB-CG 4.16Å; R706-P726 WeakPolarHBondContact O-CG 3.33Å; P726-R728 VanDerWaalsContact C-N 3.34Å; P726-R728 PolarHBondContact O-N 3.41Å; P726-I729 PolarHBondContact O-N 2.7Å; P726-I729 VanDerWaalsContact O-N 3.12Å; P726-I730 WeakPolarHBondContact O-CG1 3.44Å; P726-I730 PolarHBondContact O-N 3.22Å; P726-Y861 WeakPolarHBondContact CB-O 3.33Å
727	N	93.8	Very high	93.6	Very high	64 Å²	64	49.6 Å²	49.6	34%	0.342	26%	0.263	S	S	.	.	H	α-helix	trans	-60.6	-39.3	178.6	70.3	-60.1	0	0	0	112.5	T725 I729 I730 E731 Y861	T725-N727 VanDerWaalsContact C-N 3.25Å; T725-N727 VanDerWaalsContact CB-OD1 3.24Å; T725-N727 WeakPolarHBondContact CB-OD1 3.38Å; T725-N727 PolarHBondContact O-N 2.78Å; T725-N727 VanDerWaalsContact O-N 3.13Å; T725-N727 PolarHBondContact OG1-OD1 2.75Å; N727-I729 VanDerWaalsContact C-N 3.25Å; N727-I729 PolarHBondContact O-N 2.85Å; N727-I730 PolarHBondContact O-N 2.83Å; N727-E731 WeakPolarHBondContact O-CB 3.44Å; N727-E731 WeakPolarHBondContact O-CG 3.45Å; N727-E731 PolarHBondContact O-N 2.92Å; N727-Y861 HydrophobicContact CB-CD1 4.1Å; N727-Y861 HydrophobicContact CB-CD2 3.38Å; N727-Y861 HydrophobicContact CB-CE2 3.89Å; N727-Y861 HydrophobicContact CB-CG 3.51Å
728	R	93.7	Very high	93.8	Very high	84 Å²	84	51.2 Å²	51.2	32%	0.317	28%	0.276	S	S	.	.	H	α-helix	trans	-63.5	-32.4	176.9	-78	-177.1	171.9	-178.5	-3.5	112.7	T725 P726 M732 I740 Y741 S742	T725-R728 WeakPolarHBondContact O-CB 3.35Å; T725-R728 PolarHBondContact O-N 2.75Å; P726-R728 VanDerWaalsContact C-N 3.34Å; P726-R728 PolarHBondContact O-N 3.41Å; R728-M732 VanDerWaalsContact O-CB 3.24Å; R728-M732 WeakPolarHBondContact O-CB 3.35Å; R728-M732 PolarHBondContact O-N 3.44Å; R728-M732 VanDerWaalsContact O-N 3.11Å; R728-I740 HydrophobicContact CB-CG2 4.18Å; R728-Y741 PolarHBondContact NH1-O 2.84Å; R728-S742 PolarHBondContact NH1-OG 3.29Å
729	I	94.7	Very high	94	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-74.6	-45.5	179.1	-54.6	177.6	0	0	0	109.9	F708 T725 P726 N727 M732 Q733 I740 F749 P866	F708-I729 HydrophobicContact CB-CD1 4.12Å; F708-I729 HydrophobicContact CD2-CD1 3.34Å; F708-I729 HydrophobicContact CE2-CD1 4.08Å; F708-I729 HydrophobicContact CG-CD1 3.94Å; T725-I729 PolarHBondContact O-N 3.02Å; P726-I729 PolarHBondContact O-N 2.7Å; P726-I729 VanDerWaalsContact O-N 3.12Å; N727-I729 VanDerWaalsContact C-N 3.25Å; N727-I729 PolarHBondContact O-N 2.85Å; I729-M732 HydrophobicContact CG2-CE 4.26Å; I729-M732 PolarHBondContact O-N 3.45Å; I729-Q733 WeakPolarHBondContact O-CG 3.23Å; I729-Q733 PolarHBondContact O-N 2.71Å; I729-Q733 VanDerWaalsContact O-N 3.07Å; I729-I740 HydrophobicContact CG1-CD1 3.93Å; I729-I740 HydrophobicContact CG2-CD1 4.42Å; I729-F749 HydrophobicContact CG2-CD2 4.11Å; I729-F749 HydrophobicContact CG2-CE2 3.75Å; I729-P866 HydrophobicContact CB-CB 4.42Å; I729-P866 HydrophobicContact CG2-CB 3.92Å
730	I	95.7	Very high	94.3	Very high	2 Å²	2	46.7 Å²	46.7	1%	0.01	24%	0.237	C	C	.	.	H	α-helix	trans	-67.5	-36.7	176.9	-57.6	-62.7	0	0	0	111.8	P726 N727 Q733 L734 I768 L845 Y861 P866	P726-I730 WeakPolarHBondContact O-CG1 3.44Å; P726-I730 PolarHBondContact O-N 3.22Å; N727-I730 PolarHBondContact O-N 2.83Å; I730-Q733 WeakPolarHBondContact O-CB 3.36Å; I730-Q733 PolarHBondContact O-N 2.81Å; I730-L734 HydrophobicContact CG2-CD1 4.23Å; I730-L734 HydrophobicContact CG2-CG 4.37Å; I730-L734 WeakPolarHBondContact O-CB 3.35Å; I730-L734 WeakPolarHBondContact O-CG 3.18Å; I730-L734 PolarHBondContact O-N 2.94Å; I730-I768 HydrophobicContact CG2-CG2 3.94Å; I730-L845 HydrophobicContact CG2-CD1 3.48Å; I730-L845 VanDerWaalsContact CG2-CD1 3.48Å; I730-Y861 HydrophobicContact CB-CD1 3.75Å; I730-Y861 HydrophobicContact CB-CE1 3.84Å; I730-Y861 HydrophobicContact CG1-CD1 4.19Å; I730-Y861 HydrophobicContact CG2-CD1 3.8Å; I730-Y861 HydrophobicContact CG2-CE1 3.62Å; I730-P866 HydrophobicContact CD1-CB 4.5Å
731	E	95.7	Very high	94.3	Very high	48 Å²	48	45.2 Å²	45.2	22%	0.224	22%	0.222	C	C	.	.	H	α-helix	trans	-63.7	-46.5	174.2	-68.9	-73.8	-123.2	0	0	111.6	N727 Q733 L734 E735 K849 Y861	N727-E731 WeakPolarHBondContact O-CB 3.44Å; N727-E731 WeakPolarHBondContact O-CG 3.45Å; N727-E731 PolarHBondContact O-N 2.92Å; E731-Q733 PolarHBondContact O-N 3.45Å; E731-L734 PolarHBondContact O-N 3.23Å; E731-L734 WeakPolarHBondContact OE2-CD1 3.45Å; E731-E735 WeakPolarHBondContact O-CB 3.39Å; E731-E735 WeakPolarHBondContact O-CG 3.49Å; E731-E735 PolarHBondContact O-N 3.2Å; E731-K849 IonicContact OE1-NZ 2.69Å; E731-K849 PolarHBondContact OE1-NZ 3.2Å; E731-K849 IonicContact OE2-NZ 3.36Å; E731-K849 PolarHBondContact OE2-NZ 3.47Å; E731-Y861 HydrophobicContact CG-CE1 4.47Å; E731-Y861 PolarHBondContact OE1-OH 3.28Å; E731-Y861 PolarHBondContact OE2-OH 3.04Å
732	M	95.5	Very high	94	Very high	10 Å²	10	45.7 Å²	45.7	5%	0.049	23%	0.226	C	C	.	.	H	α-helix	trans	-56.6	-37.9	174.6	177.2	-76	-55.6	0	0	111.9	R728 I729 E736 N737 F739 I740 F749	R728-M732 VanDerWaalsContact O-CB 3.24Å; R728-M732 WeakPolarHBondContact O-CB 3.35Å; R728-M732 PolarHBondContact O-N 3.44Å; R728-M732 VanDerWaalsContact O-N 3.11Å; I729-M732 HydrophobicContact CG2-CE 4.26Å; I729-M732 PolarHBondContact O-N 3.45Å; M732-E736 PolarHBondContact O-N 3.38Å; M732-N737 HydrophobicContact CG-CB 4.07Å; M732-N737 WeakPolarHBondContact O-CB 3.41Å; M732-N737 PolarHBondContact O-N 2.85Å; M732-N737 HydrophobicContact SD-CB 4.48Å; M732-F739 VanDerWaalsContact CG-O 3.31Å; M732-F739 WeakPolarHBondContact CG-O 3.31Å; M732-I740 HydrophobicContact CB-CG1 4.16Å; M732-I740 HydrophobicContact CE-CD1 4.12Å; M732-I740 HydrophobicContact CE-CG1 3.8Å; M732-I740 HydrophobicContact CG-CB 4.49Å; M732-I740 HydrophobicContact CG-CG1 3.73Å; M732-I740 HydrophobicContact SD-CG1 4.34Å; M732-F749 HydrophobicContact CE-CB 3.74Å; M732-F749 HydrophobicContact CE-CD2 3.38Å; M732-F749 HydrophobicContact CE-CE2 4.11Å; M732-F749 HydrophobicContact CE-CG 3.67Å; M732-F749 HydrophobicContact SD-CB 4.27Å
733	Q	96.3	Very high	93.1	Very high	5 Å²	5	50.6 Å²	50.6	2%	0.023	26%	0.255	C	S	.	.	H	α-helix	trans	-69	-44.1	172.1	-68.1	171.6	8.1	0	0	112.6	I729 I730 E731 E735 E736 L766 G767 I768 P866	I729-Q733 WeakPolarHBondContact O-CG 3.23Å; I729-Q733 PolarHBondContact O-N 2.71Å; I729-Q733 VanDerWaalsContact O-N 3.07Å; I730-Q733 WeakPolarHBondContact O-CB 3.36Å; I730-Q733 PolarHBondContact O-N 2.81Å; E731-Q733 PolarHBondContact O-N 3.45Å; Q733-E735 PolarHBondContact O-N 2.7Å; Q733-E736 PolarHBondContact O-N 2.76Å; Q733-L766 HydrophobicContact CG-CB 4.4Å; Q733-L766 HydrophobicContact CG-CD1 4.25Å; Q733-L766 HydrophobicContact CG-CD2 4.39Å; Q733-G767 VanDerWaalsContact OE1-N 3.13Å; Q733-I768 HydrophobicContact CB-CD1 3.9Å; Q733-I768 HydrophobicContact CB-CG1 3.96Å; Q733-I768 HydrophobicContact CB-CG2 3.8Å; Q733-I768 WeakPolarHBondContact O-CD1 3.41Å; Q733-P866 PolarHBondContact NE2-O 2.92Å
734	L	96	Very high	92.5	Very high	20 Å²	20	55.9 Å²	55.9	11%	0.105	28%	0.282	C	S	.	.	H	α-helix	trans	-63.8	-29.6	179.1	-77.4	174.7	0	0	0	113.4	I730 E731 E736 I768 L845 R846	I730-L734 HydrophobicContact CG2-CD1 4.23Å; I730-L734 HydrophobicContact CG2-CG 4.37Å; I730-L734 WeakPolarHBondContact O-CB 3.35Å; I730-L734 WeakPolarHBondContact O-CG 3.18Å; I730-L734 PolarHBondContact O-N 2.94Å; E731-L734 PolarHBondContact O-N 3.23Å; E731-L734 WeakPolarHBondContact OE2-CD1 3.45Å; L734-E736 VanDerWaalsContact C-N 3.31Å; L734-I768 HydrophobicContact CD2-CG2 3.8Å; L734-I768 HydrophobicContact CG-CG2 3.84Å; L734-L845 HydrophobicContact CD1-CB 4.1Å; L734-L845 HydrophobicContact CD1-CD1 4.2Å; L734-R846 HydrophobicContact CD2-CG 4.05Å; L734-R846 PolarHBondContact O-NH2 2.97Å; L734-R846 VanDerWaalsContact O-NH2 3.08Å
735	E	95.9	Very high	92	Very high	129 Å²	129	61.1 Å²	61.1	60%	0.603	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.1	-2.1	173.1	-70.7	176.6	-174.4	0	0	113.9	E731 Q733 N737	E731-E735 WeakPolarHBondContact O-CB 3.39Å; E731-E735 WeakPolarHBondContact O-CG 3.49Å; E731-E735 PolarHBondContact O-N 3.2Å; Q733-E735 PolarHBondContact O-N 2.7Å; E735-N737 HydrophobicContact CB-CB 4.14Å; E735-N737 PolarHBondContact O-N 2.76Å
736	E	94.2	Very high	91.8	Very high	158 Å²	158	64.6 Å²	64.6	74%	0.738	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.4	33.4	-176.5	-64.9	170.8	-156.2	0	0	112.8	M732 Q733 L734 R846	M732-E736 PolarHBondContact O-N 3.38Å; Q733-E736 PolarHBondContact O-N 2.76Å; L734-E736 VanDerWaalsContact C-N 3.31Å; E736-R846 IonicContact OE1-NH2 2.82Å
737	N	94.8	Very high	91.9	Very high	51 Å²	51	64.9 Å²	64.9	27%	0.273	31%	0.314	S	S	.	.			trans	-92	168.6	-175.8	-160.4	-24.3	0	0	0	110.5	M732 E735 F739	M732-N737 HydrophobicContact CG-CB 4.07Å; M732-N737 WeakPolarHBondContact O-CB 3.41Å; M732-N737 PolarHBondContact O-N 2.85Å; M732-N737 HydrophobicContact SD-CB 4.48Å; E735-N737 HydrophobicContact CB-CB 4.14Å; E735-N737 PolarHBondContact O-N 2.76Å; N737-F739 PolarHBondContact OD1-N 3.09Å
738	V	94	Very high	92	Very high	89 Å²	89	65.4 Å²	65.4	54%	0.539	32%	0.315	S	S	.	.	S	Bend	trans	-122.8	-10.9	176.3	-59.5	0	0	0	0	113.4	Q748 F749	V738-Q748 WeakPolarHBondContact O-CA 3.41Å; V738-F749 PolarHBondContact O-N 3.39Å
739	F	95.8	Very high	92.1	Very high	60 Å²	60	62.6 Å²	62.6	26%	0.263	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	128.8	176.6	-69.3	-83.3	0	0	0	110.1	M732 N737 Y741 K746 E747 Q748	M732-F739 VanDerWaalsContact CG-O 3.31Å; M732-F739 WeakPolarHBondContact CG-O 3.31Å; N737-F739 PolarHBondContact OD1-N 3.09Å; F739-Y741 HydrophobicContact CB-CD2 4.31Å; F739-Y741 HydrophobicContact CB-CE2 3.6Å; F739-Y741 VanDerWaalsContact O-CD2 3.25Å; F739-Y741 WeakPolarHBondContact O-CD2 3.32Å; F739-Y741 VanDerWaalsContact O-CE2 3.31Å; F739-Y741 WeakPolarHBondContact O-CE2 3.34Å; F739-K746 HydrophobicContact CB-CB 4.38Å; F739-K746 HydrophobicContact CB-CD 4.38Å; F739-K746 HydrophobicContact CD1-CB 4.46Å; F739-K746 HydrophobicContact CD1-CD 4.02Å; F739-K746 HydrophobicContact CD1-CG 4.14Å; F739-K746 HydrophobicContact CG-CD 4.15Å; F739-E747 CarbonylContact C-O 3.44Å; F739-E747 WeakPolarHBondContact CA-O 3.36Å; F739-Q748 HydrophobicContact CD1-CG 3.97Å; F739-Q748 HydrophobicContact CE1-CG 3.59Å; F739-Q748 HydrophobicContact CZ-CG 4.19Å
740	I	94	Very high	92.2	Very high	1 Å²	1	64.5 Å²	64.5	1%	0.005	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	125.5	167.9	-54.2	165	0	0	0	108.2	Y724 R728 I729 M732 K746 E747 F749 I752	Y724-I740 HydrophobicContact CD1-CB 4.05Å; Y724-I740 HydrophobicContact CD1-CG2 3.27Å; Y724-I740 HydrophobicContact CE1-CB 4.09Å; Y724-I740 HydrophobicContact CE1-CG2 3.67Å; Y724-I740 HydrophobicContact CG-CG2 4.04Å; R728-I740 HydrophobicContact CB-CG2 4.18Å; I729-I740 HydrophobicContact CG1-CD1 3.93Å; I729-I740 HydrophobicContact CG2-CD1 4.42Å; M732-I740 HydrophobicContact CB-CG1 4.16Å; M732-I740 HydrophobicContact CE-CD1 4.12Å; M732-I740 HydrophobicContact CE-CG1 3.8Å; M732-I740 HydrophobicContact CG-CB 4.49Å; M732-I740 HydrophobicContact CG-CG1 3.73Å; M732-I740 HydrophobicContact SD-CG1 4.34Å; I740-K746 WeakPolarHBondContact O-CA 3.35Å; I740-E747 PolarHBondContact N-O 2.8Å; I740-E747 PolarHBondContact O-N 2.97Å; I740-F749 HydrophobicContact CD1-CB 4.44Å; I740-F749 HydrophobicContact CD1-CD2 4.04Å; I740-I752 HydrophobicContact CB-CD1 3.99Å; I740-I752 HydrophobicContact CD1-CD1 3.57Å; I740-I752 HydrophobicContact CG1-CD1 4.17Å
741	Y	89.7	Confident	92.2	Very high	113 Å²	113	66.8 Å²	66.8	44%	0.443	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	146.4	-177.1	-68.3	-99.9	0	0	0	112.1	R728 F739 K746	R728-Y741 PolarHBondContact NH1-O 2.84Å; F739-Y741 HydrophobicContact CB-CD2 4.31Å; F739-Y741 HydrophobicContact CB-CE2 3.6Å; F739-Y741 VanDerWaalsContact O-CD2 3.25Å; F739-Y741 WeakPolarHBondContact O-CD2 3.32Å; F739-Y741 VanDerWaalsContact O-CE2 3.31Å; F739-Y741 WeakPolarHBondContact O-CE2 3.34Å; Y741-K746 HydrophobicContact CD1-CB 3.77Å; Y741-K746 HydrophobicContact CD1-CD 4.4Å; Y741-K746 HydrophobicContact CE1-CB 3.79Å; Y741-K746 HydrophobicContact CE1-CD 3.57Å; Y741-K746 HydrophobicContact CE1-CG 4.28Å; Y741-K746 HydrophobicContact CG-CB 4.27Å
742	S	84.6	Confident	92.3	Very high	25 Å²	25	64.5 Å²	64.5	18%	0.175	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	174.7	165.4	-161.6	0	0	0	0	108.5	C722 R728 D744 R745	C722-S742 PolarHBondContact SG-OG 3.46Å; R728-S742 PolarHBondContact NH1-OG 3.29Å; S742-D744 VanDerWaalsContact C-N 3.29Å; S742-D744 PolarHBondContact O-N 3.18Å; S742-D744 VanDerWaalsContact O-N 3.09Å; S742-R745 PolarHBondContact N-O 2.75Å; S742-R745 PolarHBondContact O-N 3.49Å; S742-R745 VanDerWaalsContact O-O 3.05Å
743	V	76.6	Confident	92.2	Very high	123 Å²	123	64 Å²	64	75%	0.745	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.1	-48.1	-165.3	-174.9	0	0	0	0	112.9
744	D	80.6	Confident	92.2	Very high	146 Å²	146	63.8 Å²	63.8	78%	0.781	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-119.7	13	-177.6	-42.7	-76	0	0	0	113.2	S742	S742-D744 VanDerWaalsContact C-N 3.29Å; S742-D744 PolarHBondContact O-N 3.18Å; S742-D744 VanDerWaalsContact O-N 3.09Å
745	R	83.7	Confident	92.2	Very high	110 Å²	110	63 Å²	63	42%	0.415	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	151.5	-162.2	-55.3	-176.6	-175.5	-167.6	-0.8	113.3	D713 S742	D713-R745 IonicContact OD1-CZ 3.52Å; D713-R745 IonicContact OD1-NH1 3.74Å; D713-R745 PolarHBondContact OD1-NH1 2.71Å; D713-R745 IonicContact OD1-NH2 2.65Å; D713-R745 IonicContact OD2-CZ 2.7Å; D713-R745 IonicContact OD2-NH1 3.7Å; D713-R745 PolarHBondContact OD2-NH1 3.17Å; S742-R745 PolarHBondContact N-O 2.75Å; S742-R745 PolarHBondContact O-N 3.49Å; S742-R745 VanDerWaalsContact O-O 3.05Å
746	K	89.8	Confident	92.2	Very high	112 Å²	112	58 Å²	58	49%	0.487	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	143.9	167.7	70.3	176.1	-173.7	167.9	0	111.2	F739 I740 Y741	F739-K746 HydrophobicContact CB-CB 4.38Å; F739-K746 HydrophobicContact CB-CD 4.38Å; F739-K746 HydrophobicContact CD1-CB 4.46Å; F739-K746 HydrophobicContact CD1-CD 4.02Å; F739-K746 HydrophobicContact CD1-CG 4.14Å; F739-K746 HydrophobicContact CG-CD 4.15Å; I740-K746 WeakPolarHBondContact O-CA 3.35Å; Y741-K746 HydrophobicContact CD1-CB 3.77Å; Y741-K746 HydrophobicContact CD1-CD 4.4Å; Y741-K746 HydrophobicContact CE1-CB 3.79Å; Y741-K746 HydrophobicContact CE1-CD 3.57Å; Y741-K746 HydrophobicContact CE1-CG 4.28Å; Y741-K746 HydrophobicContact CG-CB 4.27Å
747	E	95.4	Very high	92.3	Very high	13 Å²	13	50.8 Å²	50.8	6%	0.061	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	153.3	-177.3	-62.7	-177.1	157	0	0	108.7	S710 P711 N712 Y724 F739 I740 I752	S710-E747 VanDerWaalsContact CA-OE2 3.3Å; S710-E747 WeakPolarHBondContact CA-OE2 3.39Å; S710-E747 WeakPolarHBondContact CB-OE2 3.46Å; S710-E747 PolarHBondContact OG-OE1 2.85Å; S710-E747 PolarHBondContact OG-OE2 2.89Å; P711-E747 WeakPolarHBondContact CD-OE2 3.42Å; N712-E747 VanDerWaalsContact CB-OE1 3.3Å; N712-E747 WeakPolarHBondContact CB-OE1 3.37Å; N712-E747 VanDerWaalsContact ND2-CD 3.32Å; N712-E747 PolarHBondContact ND2-OE1 2.87Å; Y724-E747 WeakPolarHBondContact CE2-OE2 3.39Å; Y724-E747 WeakPolarHBondContact OH-CG 3.3Å; Y724-E747 PolarHBondContact OH-OE2 3.41Å; F739-E747 CarbonylContact C-O 3.44Å; F739-E747 WeakPolarHBondContact CA-O 3.36Å; I740-E747 PolarHBondContact N-O 2.8Å; I740-E747 PolarHBondContact O-N 2.97Å; E747-I752 HydrophobicContact CB-CD1 3.85Å; E747-I752 HydrophobicContact CB-CG1 4.17Å
748	Q	96.3	Very high	92.2	Very high	75 Å²	75	57.8 Å²	57.8	35%	0.35	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	143.7	-176.8	-57.3	174.9	97.1	0	0	110.8	V738 F739 L750 D751 I752	V738-Q748 WeakPolarHBondContact O-CA 3.41Å; F739-Q748 HydrophobicContact CD1-CG 3.97Å; F739-Q748 HydrophobicContact CE1-CG 3.59Å; F739-Q748 HydrophobicContact CZ-CG 4.19Å; Q748-L750 HydrophobicContact CB-CB 4.37Å; Q748-L750 PolarHBondContact O-N 3.48Å; Q748-D751 HydrophobicContact CB-CB 4.45Å; Q748-D751 WeakPolarHBondContact CB-OD2 3.37Å; Q748-D751 PolarHBondContact NE2-OD2 2.64Å; Q748-D751 PolarHBondContact O-N 3.06Å; Q748-I752 WeakPolarHBondContact O-CG1 3.24Å; Q748-I752 PolarHBondContact O-N 2.91Å; Q748-I752 VanDerWaalsContact O-N 3.08Å
749	F	95.6	Very high	92.1	Very high	25 Å²	25	59.2 Å²	59.2	11%	0.11	28%	0.282	C	S	.	.	H	α-helix	trans	-54.8	-39.6	171.3	175.8	-105.1	0	0	0	112	I729 M732 V738 I740 D751 I752 V753 L764 L766	I729-F749 HydrophobicContact CG2-CD2 4.11Å; I729-F749 HydrophobicContact CG2-CE2 3.75Å; M732-F749 HydrophobicContact CE-CB 3.74Å; M732-F749 HydrophobicContact CE-CD2 3.38Å; M732-F749 HydrophobicContact CE-CE2 4.11Å; M732-F749 HydrophobicContact CE-CG 3.67Å; M732-F749 HydrophobicContact SD-CB 4.27Å; V738-F749 PolarHBondContact O-N 3.39Å; I740-F749 HydrophobicContact CD1-CB 4.44Å; I740-F749 HydrophobicContact CD1-CD2 4.04Å; F749-D751 VanDerWaalsContact C-N 3.29Å; F749-D751 PolarHBondContact O-N 3.43Å; F749-I752 PolarHBondContact O-N 2.71Å; F749-V753 HydrophobicContact CD2-CG2 3.88Å; F749-V753 HydrophobicContact CE2-CB 4.2Å; F749-V753 HydrophobicContact CE2-CG2 3.55Å; F749-V753 HydrophobicContact CZ-CB 4.28Å; F749-V753 HydrophobicContact CZ-CG1 4.34Å; F749-V753 HydrophobicContact CZ-CG2 4.09Å; F749-V753 PolarHBondContact O-N 2.91Å; F749-L764 HydrophobicContact CE1-CD1 4.2Å; F749-L764 HydrophobicContact CZ-CD1 4.37Å; F749-L766 HydrophobicContact CE1-CD2 3.69Å; F749-L766 HydrophobicContact CZ-CD2 3.83Å
750	L	96.2	Very high	92	Very high	40 Å²	40	56.4 Å²	56.4	21%	0.209	27%	0.27	C	S	.	.	H	α-helix	trans	-55	-40.2	174.6	-177.9	68.6	0	0	0	113	Q748 C754 G756 S757 R758 A761	Q748-L750 HydrophobicContact CB-CB 4.37Å; Q748-L750 PolarHBondContact O-N 3.48Å; L750-C754 HydrophobicContact CD1-CB 4.05Å; L750-C754 CarbonylContact O-C 3.34Å; L750-C754 WeakPolarHBondContact O-CA 3.27Å; L750-C754 VanDerWaalsContact O-CB 3.28Å; L750-C754 WeakPolarHBondContact O-CB 3.33Å; L750-C754 PolarHBondContact O-N 3.18Å; L750-C754 VanDerWaalsContact O-N 3.09Å; L750-G756 PolarHBondContact O-N 2.7Å; L750-S757 WeakPolarHBondContact CD1-O 3.2Å; L750-R758 HydrophobicContact CD2-CG 4.29Å; L750-A761 HydrophobicContact CD1-CB 3.53Å
751	D	96.1	Very high	92	Very high	50 Å²	50	58.2 Å²	58.2	27%	0.267	28%	0.284	S	S	.	.	H	α-helix	trans	-79.6	-39	-178.1	-55.9	-33	0	0	0	111	P711 Q748 F749	P711-D751 HydrophobicContact CG-CB 4.16Å; Q748-D751 HydrophobicContact CB-CB 4.45Å; Q748-D751 WeakPolarHBondContact CB-OD2 3.37Å; Q748-D751 PolarHBondContact NE2-OD2 2.64Å; Q748-D751 PolarHBondContact O-N 3.06Å; F749-D751 VanDerWaalsContact C-N 3.29Å; F749-D751 PolarHBondContact O-N 3.43Å
752	I	96.3	Very high	92.1	Very high	0 Å²	0	59.7 Å²	59.7	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-70.8	-40	-178	-67.7	162.2	0	0	0	112.4	F708 P711 Y724 I740 E747 Q748 F749	F708-I752 HydrophobicContact CB-CG2 3.65Å; F708-I752 HydrophobicContact CD1-CG2 4.24Å; F708-I752 HydrophobicContact CG-CG2 4.21Å; P711-I752 HydrophobicContact CG-CG1 4.31Å; Y724-I752 HydrophobicContact CD2-CD1 3.77Å; Y724-I752 HydrophobicContact CD2-CG1 4.28Å; Y724-I752 HydrophobicContact CD2-CG2 4.35Å; Y724-I752 HydrophobicContact CE2-CD1 3.61Å; Y724-I752 HydrophobicContact CE2-CG1 4.13Å; Y724-I752 HydrophobicContact CG-CD1 4.32Å; I740-I752 HydrophobicContact CB-CD1 3.99Å; I740-I752 HydrophobicContact CD1-CD1 3.57Å; I740-I752 HydrophobicContact CG1-CD1 4.17Å; E747-I752 HydrophobicContact CB-CD1 3.85Å; E747-I752 HydrophobicContact CB-CG1 4.17Å; Q748-I752 WeakPolarHBondContact O-CG1 3.24Å; Q748-I752 PolarHBondContact O-N 2.91Å; Q748-I752 VanDerWaalsContact O-N 3.08Å; F749-I752 PolarHBondContact O-N 2.71Å
753	V	94.7	Very high	92.4	Very high	0 Å²	0	59.2 Å²	59.2	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-104.4	-45.2	-172.8	173.2	0	0	0	0	112.4	F681 F708 F749 L764 Y867	F681-V753 WeakPolarHBondContact CD2-O 3.09Å; F681-V753 WeakPolarHBondContact CE2-O 3.35Å; F708-V753 HydrophobicContact CD1-CG2 4.08Å; F708-V753 HydrophobicContact CE1-CG2 4.05Å; F749-V753 HydrophobicContact CD2-CG2 3.88Å; F749-V753 HydrophobicContact CE2-CB 4.2Å; F749-V753 HydrophobicContact CE2-CG2 3.55Å; F749-V753 HydrophobicContact CZ-CB 4.28Å; F749-V753 HydrophobicContact CZ-CG1 4.34Å; F749-V753 HydrophobicContact CZ-CG2 4.09Å; F749-V753 PolarHBondContact O-N 2.91Å; V753-L764 HydrophobicContact CG1-CD1 3.86Å; V753-Y867 HydrophobicContact CB-CE1 4.42Å; V753-Y867 HydrophobicContact CG1-CD1 3.59Å; V753-Y867 HydrophobicContact CG1-CE1 3.31Å; V753-Y867 HydrophobicContact CG1-CG 4.35Å; V753-Y867 HydrophobicContact CG2-CD1 4.48Å; V753-Y867 HydrophobicContact CG2-CE1 4.25Å
754	C	95.8	Very high	93.1	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	27%	0.265	C	S	.	.	S	Bend	trans	-98.3	10.1	-167.8	-43.8	0	0	0	0	113.9	L750 G756 S757 I760 L764	L750-C754 HydrophobicContact CD1-CB 4.05Å; L750-C754 CarbonylContact O-C 3.34Å; L750-C754 WeakPolarHBondContact O-CA 3.27Å; L750-C754 VanDerWaalsContact O-CB 3.28Å; L750-C754 WeakPolarHBondContact O-CB 3.33Å; L750-C754 PolarHBondContact O-N 3.18Å; L750-C754 VanDerWaalsContact O-N 3.09Å; C754-G756 PolarHBondContact O-N 2.68Å; C754-G756 VanDerWaalsContact O-N 3.13Å; C754-S757 WeakPolarHBondContact CB-O 3.49Å; C754-S757 VanDerWaalsContact O-CB 3.29Å; C754-S757 WeakPolarHBondContact O-CB 3.49Å; C754-S757 PolarHBondContact O-N 3.19Å; C754-I760 HydrophobicContact CB-CB 4.15Å; C754-I760 HydrophobicContact CB-CG2 3.87Å; C754-L764 WeakPolarHBondContact SG-CD1 3.33Å
755	F	96.5	Very high	93.8	Very high	4 Å²	4	51.3 Å²	51.3	2%	0.018	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.7	28.1	-170.5	-62.9	-107.9	0	0	0	113.2	V597 A599 V670 N677 C680 F681 F684 S757	V597-F755 HydrophobicContact CB-CB 4.25Å; V597-F755 HydrophobicContact CB-CD1 4.24Å; V597-F755 WeakPolarHBondContact CG1-O 3.43Å; V597-F755 HydrophobicContact CG2-CB 4.22Å; V597-F755 HydrophobicContact CG2-CD1 4.01Å; A599-F755 HydrophobicContact CB-CD1 3.9Å; A599-F755 HydrophobicContact CB-CD2 4.09Å; A599-F755 HydrophobicContact CB-CE1 3.5Å; A599-F755 VanDerWaalsContact CB-CE1 3.5Å; A599-F755 HydrophobicContact CB-CE2 3.69Å; A599-F755 HydrophobicContact CB-CG 4.19Å; A599-F755 HydrophobicContact CB-CZ 3.4Å; V670-F755 HydrophobicContact CB-CE1 4.06Å; V670-F755 HydrophobicContact CB-CZ 3.91Å; V670-F755 HydrophobicContact CG1-CE1 3.82Å; V670-F755 HydrophobicContact CG1-CZ 3.86Å; N677-F755 HydrophobicContact CB-CB 4.15Å; N677-F755 WeakPolarHBondContact CB-O 3.3Å; N677-F755 PolarHBondContact ND2-O 3.21Å; C680-F755 HydrophobicContact CB-CD1 3.66Å; C680-F755 HydrophobicContact CB-CE1 3.76Å; C680-F755 HydrophobicContact CB-CG 4.1Å; C680-F755 HydrophobicContact CB-CZ 4.28Å; F681-F755 HydrophobicContact CB-CD2 3.78Å; F681-F755 HydrophobicContact CB-CE2 4.11Å; F681-F755 HydrophobicContact CD2-CD2 4.04Å; F681-F755 HydrophobicContact CD2-CE2 4.18Å; F681-F755 HydrophobicContact CG-CD2 4.43Å; F684-F755 HydrophobicContact CB-CE2 3.83Å; F684-F755 HydrophobicContact CB-CZ 3.71Å; F684-F755 HydrophobicContact CD1-CE2 4.24Å; F684-F755 HydrophobicContact CD2-CZ 4.12Å; F684-F755 AromaticContact CG-CE2 3.97Å; F684-F755 HydrophobicContact CG-CE2 3.97Å; F684-F755 AromaticContact CG-CZ 3.93Å; F684-F755 HydrophobicContact CG-CZ 3.93Å; F755-S757 PolarHBondContact O-N 2.98Å
756	G	95.3	Very high	94.4	Very high	24 Å²	24	48.6 Å²	48.6	25%	0.247	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	79.5	-5.9	-172.8	0	0	0	0	0	114.9	L750 C754 R758	L750-G756 PolarHBondContact O-N 2.7Å; C754-G756 PolarHBondContact O-N 2.68Å; C754-G756 VanDerWaalsContact O-N 3.13Å; G756-R758 PolarHBondContact O-N 3.18Å
757	S	95.9	Very high	94.6	Very high	6 Å²	6	43.2 Å²	43.2	4%	0.042	21%	0.214	C	C	.	.			trans	-73.1	117.1	-177.6	-178.5	0	0	0	0	111.8	N677 T678 L750 C754 F755 E759 I760 A761	N677-S757 PolarHBondContact ND2-N 2.86Å; T678-S757 PolarHBondContact OG1-OG 3.26Å; L750-S757 WeakPolarHBondContact CD1-O 3.2Å; C754-S757 WeakPolarHBondContact CB-O 3.49Å; C754-S757 VanDerWaalsContact O-CB 3.29Å; C754-S757 WeakPolarHBondContact O-CB 3.49Å; C754-S757 PolarHBondContact O-N 3.19Å; F755-S757 PolarHBondContact O-N 2.98Å; S757-E759 VanDerWaalsContact C-N 3.34Å; S757-I760 PolarHBondContact OG-N 2.85Å; S757-A761 PolarHBondContact O-N 2.89Å; S757-A761 VanDerWaalsContact O-N 3.16Å
758	R	93.7	Very high	94.6	Very high	198 Å²	198	43.2 Å²	43.2	75%	0.747	21%	0.214	S	C	*	.	H	α-helix	trans	-71.8	-29.5	176.3	-64.3	-178.5	-179.6	178.8	0.1	112.5	L750 G756 A761 M762	L750-R758 HydrophobicContact CD2-CG 4.29Å; G756-R758 PolarHBondContact O-N 3.18Å; R758-A761 PolarHBondContact O-N 2.96Å; R758-M762 WeakPolarHBondContact O-CG 3.1Å; R758-M762 PolarHBondContact O-N 2.87Å
759	E	92.7	Very high	94.6	Very high	119 Å²	119	43 Å²	43	56%	0.556	22%	0.215	S	C	*	.	H	α-helix	trans	-63.7	-48	175.8	175.3	-175.9	-147.6	0	0	111	T678 S757 A761 M762 S763	T678-E759 WeakPolarHBondContact CG2-OE2 3.31Å; T678-E759 PolarHBondContact OG1-OE2 2.85Å; S757-E759 VanDerWaalsContact C-N 3.34Å; E759-A761 PolarHBondContact O-N 3.47Å; E759-M762 PolarHBondContact O-N 2.95Å; E759-S763 PolarHBondContact O-N 3.46Å; E759-S763 PolarHBondContact O-OG 3.3Å
760	I	93.6	Very high	94.7	Very high	1 Å²	1	42.3 Å²	42.3	1%	0.005	21%	0.213	C	C	.	.	H	α-helix	trans	-59.4	-46.8	171.6	-64.4	-55.3	0	0	0	110.4	T678 F681 Y682 C754 S757 M762 S763 L764 F869	T678-I760 HydrophobicContact CG2-CD1 4.11Å; T678-I760 HydrophobicContact CG2-CG1 4.46Å; F681-I760 HydrophobicContact CB-CD1 4.33Å; F681-I760 HydrophobicContact CB-CG1 4.01Å; F681-I760 HydrophobicContact CD1-CB 4.36Å; F681-I760 HydrophobicContact CD1-CD1 3.47Å; F681-I760 VanDerWaalsContact CD1-CD1 3.47Å; F681-I760 HydrophobicContact CD1-CG1 3.8Å; F681-I760 HydrophobicContact CD1-CG2 3.61Å; F681-I760 HydrophobicContact CD2-CG2 3.81Å; F681-I760 HydrophobicContact CE1-CD1 4.07Å; F681-I760 HydrophobicContact CE1-CG2 3.58Å; F681-I760 HydrophobicContact CE2-CG2 3.78Å; F681-I760 HydrophobicContact CG-CB 4.44Å; F681-I760 HydrophobicContact CG-CD1 4.11Å; F681-I760 HydrophobicContact CG-CG1 3.94Å; F681-I760 HydrophobicContact CG-CG2 3.72Å; F681-I760 HydrophobicContact CZ-CG2 3.67Å; Y682-I760 HydrophobicContact CE2-CD1 4.26Å; C754-I760 HydrophobicContact CB-CB 4.15Å; C754-I760 HydrophobicContact CB-CG2 3.87Å; S757-I760 PolarHBondContact OG-N 2.85Å; I760-M762 VanDerWaalsContact C-N 3.3Å; I760-M762 PolarHBondContact O-N 2.87Å; I760-S763 CarbonylContact O-C 3.59Å; I760-S763 WeakPolarHBondContact O-CA 3.38Å; I760-S763 WeakPolarHBondContact O-CB 3.35Å; I760-S763 PolarHBondContact O-N 3.3Å; I760-L764 HydrophobicContact CG2-CG 4.35Å; I760-L764 WeakPolarHBondContact O-CG 3.3Å; I760-L764 PolarHBondContact O-N 3.03Å; I760-L764 VanDerWaalsContact O-N 3.07Å; I760-F869 HydrophobicContact CD1-CE2 3.81Å; I760-F869 HydrophobicContact CD1-CZ 3.95Å
761	A	92.9	Very high	94.7	Very high	38 Å²	38	42.7 Å²	42.7	31%	0.314	21%	0.213	S	C	.	.	H	α-helix	trans	-61.9	-32.8	179.5	0	0	0	0	0	114.1	L750 S757 R758 E759 S763 L764	L750-A761 HydrophobicContact CD1-CB 3.53Å; S757-A761 PolarHBondContact O-N 2.89Å; S757-A761 VanDerWaalsContact O-N 3.16Å; R758-A761 PolarHBondContact O-N 2.96Å; E759-A761 PolarHBondContact O-N 3.47Å; A761-S763 PolarHBondContact O-N 3.26Å; A761-L764 PolarHBondContact O-N 3.48Å
762	M	91.6	Very high	94.7	Very high	145 Å²	145	40.4 Å²	40.4	71%	0.714	20%	0.2	S	C	*	.	H	α-helix	trans	-71.2	-16.3	171.7	-73.4	174.9	60.9	0	0	113.3	R758 E759 I760	R758-M762 WeakPolarHBondContact O-CG 3.1Å; R758-M762 PolarHBondContact O-N 2.87Å; E759-M762 PolarHBondContact O-N 2.95Å; I760-M762 VanDerWaalsContact C-N 3.3Å; I760-M762 PolarHBondContact O-N 2.87Å
763	S	91.4	Very high	94.5	Very high	15 Å²	15	44.4 Å²	44.4	11%	0.105	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105	3.4	179.7	-49.7	0	0	0	0	112.8	E759 I760 A761 V870 M872	E759-S763 PolarHBondContact O-N 3.46Å; E759-S763 PolarHBondContact O-OG 3.3Å; I760-S763 CarbonylContact O-C 3.59Å; I760-S763 WeakPolarHBondContact O-CA 3.38Å; I760-S763 WeakPolarHBondContact O-CB 3.35Å; I760-S763 PolarHBondContact O-N 3.3Å; A761-S763 PolarHBondContact O-N 3.26Å; S763-V870 PolarHBondContact O-N 3.47Å; S763-M872 WeakPolarHBondContact OG-CG 3.19Å
764	L	92.2	Very high	94.4	Very high	25 Å²	25	46.9 Å²	46.9	13%	0.131	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	136.5	174.9	-73.8	-171.5	0	0	0	111.3	F681 F749 V753 C754 I760 A761 Y867 F869	F681-L764 HydrophobicContact CZ-CD2 4.23Å; F749-L764 HydrophobicContact CE1-CD1 4.2Å; F749-L764 HydrophobicContact CZ-CD1 4.37Å; V753-L764 HydrophobicContact CG1-CD1 3.86Å; C754-L764 WeakPolarHBondContact SG-CD1 3.33Å; I760-L764 HydrophobicContact CG2-CG 4.35Å; I760-L764 WeakPolarHBondContact O-CG 3.3Å; I760-L764 PolarHBondContact O-N 3.03Å; I760-L764 VanDerWaalsContact O-N 3.07Å; A761-L764 PolarHBondContact O-N 3.48Å; L764-Y867 HydrophobicContact CD1-CG 4.38Å; L764-Y867 HydrophobicContact CD2-CD2 3.6Å; L764-Y867 HydrophobicContact CD2-CE2 4.25Å; L764-Y867 HydrophobicContact CD2-CG 4.03Å; L764-F869 HydrophobicContact CD2-CB 3.78Å; L764-F869 HydrophobicContact CD2-CD2 4.02Å; L764-F869 HydrophobicContact CD2-CG 4.36Å
765	K	94.2	Very high	94.3	Very high	78 Å²	78	47 Å²	47	34%	0.339	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	125.5	162	-176.6	166.7	179.8	170.4	0	109.4	D769 L770 Y867 L868	K765-D769 WeakPolarHBondContact CE-O 3.49Å; K765-D769 HydrophobicContact CG-CB 4.07Å; K765-D769 PolarHBondContact NZ-O 2.85Å; K765-D769 VanDerWaalsContact NZ-O 3.11Å; K765-L770 HydrophobicContact CD-CD2 4.16Å; K765-L770 HydrophobicContact CG-CD2 4.1Å; K765-Y867 CarbonylContact O-C 3.53Å; K765-Y867 VanDerWaalsContact O-CA 3.22Å; K765-Y867 WeakPolarHBondContact O-CA 3.35Å; K765-Y867 WeakPolarHBondContact O-CB 3.4Å; K765-L868 PolarHBondContact N-O 2.96Å; K765-L868 PolarHBondContact O-N 2.65Å
766	L	95.5	Very high	93.9	Very high	52 Å²	52	49 Å²	49	27%	0.272	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	151.7	-176.4	-57.9	177.8	0	0	0	111.7	Q733 F749 I768 D769 L770	Q733-L766 HydrophobicContact CG-CB 4.4Å; Q733-L766 HydrophobicContact CG-CD1 4.25Å; Q733-L766 HydrophobicContact CG-CD2 4.39Å; F749-L766 HydrophobicContact CE1-CD2 3.69Å; F749-L766 HydrophobicContact CZ-CD2 3.83Å; L766-I768 HydrophobicContact CB-CG1 4.03Å; L766-I768 PolarHBondContact O-N 3.35Å; L766-D769 PolarHBondContact O-N 3.23Å; L766-L770 PolarHBondContact O-N 3.45Å
767	G	94.7	Very high	93.6	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	26%	0.262	C	S	.	.	G	3₁₀ helix	trans	-55	-35.3	179.4	0	0	0	0	0	113.2	Q733 D769 L770 V841 A865 P866	Q733-G767 VanDerWaalsContact OE1-N 3.13Å; G767-D769 VanDerWaalsContact C-N 3.33Å; G767-D769 PolarHBondContact O-N 3.32Å; G767-L770 WeakPolarHBondContact O-CB 3.36Å; G767-V841 WeakPolarHBondContact O-CB 3.28Å; G767-V841 WeakPolarHBondContact O-CG1 3.32Å; G767-A865 WeakPolarHBondContact CA-O 3.42Å; G767-P866 WeakPolarHBondContact CA-O 3.41Å; G767-P866 PolarHBondContact N-O 3.34Å
768	I	96.7	Very high	93.1	Very high	13 Å²	13	51.7 Å²	51.7	7%	0.067	27%	0.27	C	S	.	.	G	3₁₀ helix	trans	-67.6	-26	175.4	60.2	162.9	0	0	0	114.4	I730 Q733 L734 L766 T840 G842	I730-I768 HydrophobicContact CG2-CG2 3.94Å; Q733-I768 HydrophobicContact CB-CD1 3.9Å; Q733-I768 HydrophobicContact CB-CG1 3.96Å; Q733-I768 HydrophobicContact CB-CG2 3.8Å; Q733-I768 WeakPolarHBondContact O-CD1 3.41Å; L734-I768 HydrophobicContact CD2-CG2 3.8Å; L734-I768 HydrophobicContact CG-CG2 3.84Å; L766-I768 HydrophobicContact CB-CG1 4.03Å; L766-I768 PolarHBondContact O-N 3.35Å; I768-T840 VanDerWaalsContact O-CB 3.31Å; I768-T840 WeakPolarHBondContact O-CB 3.35Å; I768-T840 PolarHBondContact O-OG1 3.32Å; I768-G842 PolarHBondContact O-N 3.04Å
769	D	95.9	Very high	92.9	Very high	70 Å²	70	42.2 Å²	42.2	37%	0.374	23%	0.234	S	C	.	.	G	3₁₀ helix	trans	-92.2	-10.6	-176.8	-60.7	-44.1	0	0	0	112.6	K765 L766 G767	K765-D769 WeakPolarHBondContact CE-O 3.49Å; K765-D769 HydrophobicContact CG-CB 4.07Å; K765-D769 PolarHBondContact NZ-O 2.85Å; K765-D769 VanDerWaalsContact NZ-O 3.11Å; L766-D769 PolarHBondContact O-N 3.23Å; G767-D769 VanDerWaalsContact C-N 3.33Å; G767-D769 PolarHBondContact O-N 3.32Å
770	L	96.2	Very high	92.9	Very high	11 Å²	11	37.7 Å²	37.7	6%	0.058	21%	0.212	C	C	.	.	S	Bend	trans	-57.2	140.7	170.3	-57	-176.9	0	0	0	109.4	K765 L766 G767 A774 T840 V841 I864 L868	K765-L770 HydrophobicContact CD-CD2 4.16Å; K765-L770 HydrophobicContact CG-CD2 4.1Å; L766-L770 PolarHBondContact O-N 3.45Å; G767-L770 WeakPolarHBondContact O-CB 3.36Å; L770-A774 HydrophobicContact CB-CB 4.19Å; L770-T840 CarbonylContact O-C 3.54Å; L770-T840 VanDerWaalsContact O-CA 3.28Å; L770-T840 WeakPolarHBondContact O-CA 3.28Å; L770-V841 HydrophobicContact CB-CG2 4.08Å; L770-V841 WeakPolarHBondContact O-CG2 3.3Å; L770-V841 PolarHBondContact O-N 3.09Å; L770-I864 HydrophobicContact CD1-CG2 3.98Å; L770-L868 HydrophobicContact CD2-CB 3.68Å; L770-L868 HydrophobicContact CD2-CD2 4.29Å
771	K	96.3	Very high	92.7	Very high	48 Å²	48	38.5 Å²	38.5	21%	0.209	22%	0.215	C	C	.	.	B	Isolated β-bridge	trans	-74.4	153.5	175.4	-57.5	-58.6	-178.2	167.9	0	109.1	T773 A774 F832 K836 D837 A839 T840	K771-T773 PolarHBondContact O-N 2.96Å; K771-A774 WeakPolarHBondContact O-CB 3.19Å; K771-A774 PolarHBondContact O-N 2.91Å; K771-F832 HydrophobicContact CB-CE2 3.92Å; K771-F832 HydrophobicContact CD-CE2 4.47Å; K771-F832 HydrophobicContact CG-CE2 4.21Å; K771-K836 WeakPolarHBondContact CD-O 3.45Å; K771-K836 WeakPolarHBondContact CE-O 3.39Å; K771-K836 PolarHBondContact NZ-O 2.97Å; K771-D837 VanDerWaalsContact NZ-CA 3.29Å; K771-D837 PolarHBondContact NZ-O 2.69Å; K771-D837 IonicContact NZ-OD1 2.76Å; K771-A839 WeakPolarHBondContact CA-O 3.45Å; K771-T840 HydrophobicContact CD-CG2 4.38Å
772	I	96	Very high	92.5	Very high	1 Å²	1	38.5 Å²	38.5	1%	0.005	21%	0.208	C	C	.	.	G	3₁₀ helix	trans	-65.3	-7.3	178.9	57.2	159.4	0	0	0	115	A774 I775 R780 L828 W831 F832 A839 L844	I772-A774 VanDerWaalsContact C-N 3.25Å; I772-I775 HydrophobicContact CB-CD1 3.88Å; I772-I775 HydrophobicContact CG2-CD1 3.83Å; I772-I775 PolarHBondContact O-N 3.06Å; I772-R780 PolarHBondContact O-NH1 2.8Å; I772-L828 HydrophobicContact CD1-CB 3.99Å; I772-L828 HydrophobicContact CD1-CD2 4.2Å; I772-L828 WeakPolarHBondContact CD1-O 3.33Å; I772-W831 HydrophobicContact CD1-CE3 3.5Å; I772-W831 HydrophobicContact CD1-CZ3 3.82Å; I772-W831 HydrophobicContact CG1-CE3 4.41Å; I772-W831 HydrophobicContact CG1-CZ3 4.37Å; I772-W831 HydrophobicContact CG2-CH2 4.49Å; I772-W831 HydrophobicContact CG2-CZ3 3.77Å; I772-F832 HydrophobicContact CD1-CB 4.03Å; I772-F832 HydrophobicContact CG1-CB 4.14Å; I772-F832 HydrophobicContact CG1-CD2 4.25Å; I772-A839 HydrophobicContact CG1-CB 4.27Å; I772-A839 PolarHBondContact N-O 3.04Å; I772-A839 VanDerWaalsContact N-O 3.13Å; I772-L844 HydrophobicContact CG2-CB 4.27Å; I772-L844 HydrophobicContact CG2-CD2 4.03Å
773	T	93	Very high	92.6	Very high	84 Å²	84	31.7 Å²	31.7	52%	0.515	18%	0.175	S	C	.	.	G	3₁₀ helix	trans	-70.7	-16.9	165.8	49.7	0	0	0	0	113.6	K771 F832	K771-T773 PolarHBondContact O-N 2.96Å; T773-F832 HydrophobicContact CG2-CD1 3.83Å; T773-F832 HydrophobicContact CG2-CD2 4.22Å; T773-F832 HydrophobicContact CG2-CE1 3.63Å; T773-F832 HydrophobicContact CG2-CE2 4.07Å; T773-F832 HydrophobicContact CG2-CG 4.12Å; T773-F832 HydrophobicContact CG2-CZ 3.77Å
774	A	92.8	Very high	92.6	Very high	53 Å²	53	31 Å²	31	44%	0.438	17%	0.17	S	C	.	.	G	3₁₀ helix	trans	-87.6	-1.2	174.3	0	0	0	0	0	113.5	L770 K771 I772 P776	L770-A774 HydrophobicContact CB-CB 4.19Å; K771-A774 WeakPolarHBondContact O-CB 3.19Å; K771-A774 PolarHBondContact O-N 2.91Å; I772-A774 VanDerWaalsContact C-N 3.25Å; A774-P776 WeakPolarHBondContact O-CD 3.44Å
775	I	92.9	Very high	92.5	Very high	3 Å²	3	31.2 Å²	31.2	2%	0.015	17%	0.174	C	C	.	.	S	Bend	trans	-78.5	121.5	173.3	-57.3	172.4	0	0	0	107.8	I772 A779 R780 V841 L844 L860 I864	I772-I775 HydrophobicContact CB-CD1 3.88Å; I772-I775 HydrophobicContact CG2-CD1 3.83Å; I772-I775 PolarHBondContact O-N 3.06Å; I775-A779 HydrophobicContact CG2-CB 3.93Å; I775-R780 HydrophobicContact CB-CG 4.1Å; I775-R780 HydrophobicContact CG2-CG 3.82Å; I775-R780 WeakPolarHBondContact O-CD 3.22Å; I775-V841 HydrophobicContact CD1-CG2 4.33Å; I775-V841 HydrophobicContact CG1-CG2 4.1Å; I775-L844 HydrophobicContact CD1-CD2 3.82Å; I775-L860 HydrophobicContact CD1-CD2 4.07Å; I775-L860 HydrophobicContact CG2-CD2 4.05Å; I775-I864 HydrophobicContact CD1-CD1 4.35Å; I775-I864 HydrophobicContact CG1-CD1 3.95Å; I775-I864 HydrophobicContact CG1-CG1 4.21Å
776	P	89.4	Confident	92.3	Very high	44 Å²	44	30 Å²	30	29%	0.286	17%	0.171	S	C	.	.			trans	-57.3	144.6	-177.7	-27.1	35.6	0	0	0	113.3	A774 S778 A779 R780 S863	A774-P776 WeakPolarHBondContact O-CD 3.44Å; P776-S778 PolarHBondContact O-N 2.87Å; P776-S778 VanDerWaalsContact O-N 3.14Å; P776-A779 WeakPolarHBondContact O-CA 3.44Å; P776-A779 WeakPolarHBondContact O-CB 3.48Å; P776-A779 PolarHBondContact O-N 3.35Å; P776-R780 PolarHBondContact O-N 2.93Å; P776-S863 VanDerWaalsContact CD-O 3.22Å; P776-S863 WeakPolarHBondContact CD-O 3.28Å; P776-S863 WeakPolarHBondContact CG-O 3.35Å
777	N	87.5	Confident	92.1	Very high	56 Å²	56	27.5 Å²	27.5	30%	0.299	16%	0.158	S	C	.	.	H	α-helix	trans	-55	-35.4	-179.4	-72.7	-13.9	0	0	0	113	I337 A779 R780 R781	I337-N777 HydrophobicContact CD1-CB 4.5Å; N777-A779 PolarHBondContact O-N 2.89Å; N777-R780 PolarHBondContact O-N 2.98Å; N777-R781 WeakPolarHBondContact O-CB 3.34Å; N777-R781 VanDerWaalsContact O-CG 3.27Å; N777-R781 WeakPolarHBondContact O-CG 3.45Å; N777-R781 PolarHBondContact O-N 3.46Å
778	S	85.9	Confident	91.8	Very high	31 Å²	31	27.8 Å²	27.8	22%	0.217	16%	0.159	C	C	.	.	H	α-helix	trans	-60.5	-41.2	173.2	43.4	0	0	0	0	112.9	P776 E782	P776-S778 PolarHBondContact O-N 2.87Å; P776-S778 VanDerWaalsContact O-N 3.14Å; S778-E782 WeakPolarHBondContact O-CG 3.34Å; S778-E782 PolarHBondContact O-N 2.86Å; S778-E782 VanDerWaalsContact O-N 3.11Å
779	A	89.8	Confident	91.1	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-74.3	-38.1	175.8	0	0	0	0	0	112.5	I775 P776 N777 R781 E782 L783 I859 S863	I775-A779 HydrophobicContact CG2-CB 3.93Å; P776-A779 WeakPolarHBondContact O-CA 3.44Å; P776-A779 WeakPolarHBondContact O-CB 3.48Å; P776-A779 PolarHBondContact O-N 3.35Å; N777-A779 PolarHBondContact O-N 2.89Å; A779-R781 VanDerWaalsContact C-N 3.3Å; A779-R781 PolarHBondContact O-N 3.32Å; A779-E782 PolarHBondContact O-N 2.91Å; A779-L783 PolarHBondContact O-N 3.37Å; A779-I859 HydrophobicContact CB-CG2 4.09Å; A779-S863 VanDerWaalsContact CB-CB 3.43Å
780	R	92.6	Very high	89.7	Confident	23 Å²	23	31.8 Å²	31.8	9%	0.087	19%	0.188	C	C	.	.	H	α-helix	trans	-60.6	-39.8	172.3	-66.6	178.5	64.5	132.3	-12.7	111.8	I337 I772 I775 P776 N777 L783 A784 D825 S829	I337-R780 HydrophobicContact CD1-CB 3.56Å; I337-R780 HydrophobicContact CD1-CG 4.48Å; I772-R780 PolarHBondContact O-NH1 2.8Å; I775-R780 HydrophobicContact CB-CG 4.1Å; I775-R780 HydrophobicContact CG2-CG 3.82Å; I775-R780 WeakPolarHBondContact O-CD 3.22Å; P776-R780 PolarHBondContact O-N 2.93Å; N777-R780 PolarHBondContact O-N 2.98Å; R780-L783 WeakPolarHBondContact O-CB 3.41Å; R780-L783 PolarHBondContact O-N 3.43Å; R780-A784 PolarHBondContact O-N 2.94Å; R780-D825 IonicContact CZ-OD1 2.7Å; R780-D825 IonicContact CZ-OD2 3.88Å; R780-D825 IonicContact NE-OD1 2.8Å; R780-D825 PolarHBondContact NE-OD1 3.23Å; R780-D825 IonicContact NH2-OD1 3.61Å; R780-D825 PolarHBondContact NH2-OD1 3.1Å; R780-D825 IonicContact NH2-OD2 2.68Å; R780-D825 PolarHBondContact NH2-OD2 3.45Å; R780-S829 PolarHBondContact NH2-OG 3.02Å
781	R	89.7	Confident	88	Confident	19 Å²	19	35.2 Å²	35.2	7%	0.072	21%	0.206	C	C	.	.	H	α-helix	trans	-63.9	-39.9	172.4	-77.4	178.4	55.9	167.2	-8.4	112.9	E334 I337 G341 V342 C343 N777 A779 A784 S785	E334-R781 IonicContact OE2-NH1 3.3Å; E334-R781 PolarHBondContact OE2-NH1 3.12Å; I337-R781 HydrophobicContact CB-CG 4.26Å; I337-R781 HydrophobicContact CD1-CG 4.31Å; I337-R781 HydrophobicContact CG1-CG 3.85Å; I337-R781 HydrophobicContact CG2-CG 3.87Å; G341-R781 VanDerWaalsContact CA-O 3.27Å; G341-R781 WeakPolarHBondContact CA-O 3.45Å; G341-R781 VanDerWaalsContact O-CZ 3.28Å; G341-R781 PolarHBondContact O-NE 3.33Å; G341-R781 PolarHBondContact O-NH2 2.63Å; V342-R781 VanDerWaalsContact C-NH2 3.28Å; C343-R781 VanDerWaalsContact SG-CZ 3.58Å; C343-R781 PolarHBondContact SG-NH1 3.37Å; C343-R781 PolarHBondContact SG-NH2 3.34Å; N777-R781 WeakPolarHBondContact O-CB 3.34Å; N777-R781 VanDerWaalsContact O-CG 3.27Å; N777-R781 WeakPolarHBondContact O-CG 3.45Å; N777-R781 PolarHBondContact O-N 3.46Å; A779-R781 VanDerWaalsContact C-N 3.3Å; A779-R781 PolarHBondContact O-N 3.32Å; R781-A784 WeakPolarHBondContact O-CB 3.25Å; R781-A784 PolarHBondContact O-N 3.01Å; R781-S785 PolarHBondContact O-N 2.77Å
782	E	89.3	Confident	85.9	Confident	37 Å²	37	38.9 Å²	38.9	17%	0.173	23%	0.233	C	C	.	.	H	α-helix	trans	-66.9	-39.4	175.5	-72.2	177.4	-177.7	0	0	112	R606 S778 A779 A784 S785 L786 I859	R606-E782 IonicContact CZ-OE1 3.22Å; R606-E782 IonicContact CZ-OE2 3.62Å; R606-E782 IonicContact NH1-OE1 2.7Å; R606-E782 PolarHBondContact NH1-OE1 3.13Å; R606-E782 IonicContact NH1-OE2 3.97Å; R606-E782 PolarHBondContact NH1-OE2 3.04Å; R606-E782 IonicContact NH2-OE1 3.74Å; R606-E782 IonicContact NH2-OE2 3.38Å; R606-E782 PolarHBondContact NH2-OE2 3.12Å; S778-E782 WeakPolarHBondContact O-CG 3.34Å; S778-E782 PolarHBondContact O-N 2.86Å; S778-E782 VanDerWaalsContact O-N 3.11Å; A779-E782 PolarHBondContact O-N 2.91Å; E782-A784 PolarHBondContact O-N 3.48Å; E782-S785 WeakPolarHBondContact CA-OG 3.49Å; E782-S785 PolarHBondContact O-N 2.9Å; E782-S785 VanDerWaalsContact O-N 3.15Å; E782-S785 PolarHBondContact O-OG 2.76Å; E782-L786 PolarHBondContact O-N 2.93Å; E782-I859 HydrophobicContact CB-CD1 3.83Å; E782-I859 HydrophobicContact CB-CG1 4.38Å; E782-I859 HydrophobicContact CB-CG2 4.16Å
783	L	92.5	Very high	83.5	Confident	2 Å²	2	47 Å²	47	1%	0.01	27%	0.273	C	S	.	.	H	α-helix	trans	-57.7	-48	169.4	-67.8	178.9	0	0	0	111.7	A779 R780 S785 L786 L787 L828 L848 A856 I859 L860	A779-L783 PolarHBondContact O-N 3.37Å; R780-L783 WeakPolarHBondContact O-CB 3.41Å; R780-L783 PolarHBondContact O-N 3.43Å; L783-S785 VanDerWaalsContact C-N 3.26Å; L783-S785 PolarHBondContact O-N 2.78Å; L783-L786 PolarHBondContact O-N 2.85Å; L783-L786 VanDerWaalsContact O-N 3.08Å; L783-L787 WeakPolarHBondContact O-CB 3.44Å; L783-L787 WeakPolarHBondContact O-CG 3.42Å; L783-L787 PolarHBondContact O-N 3.45Å; L783-L828 HydrophobicContact CD1-CD1 4.28Å; L783-L848 HydrophobicContact CD2-CD1 4.43Å; L783-A856 HydrophobicContact CD2-CB 3.71Å; L783-I859 HydrophobicContact CD2-CG2 4.48Å; L783-L860 HydrophobicContact CD1-CD2 3.83Å; L783-L860 HydrophobicContact CD2-CD2 4.35Å; L783-L860 HydrophobicContact CD2-CG 4.43Å; L783-L860 HydrophobicContact CG-CD2 4.35Å
784	A	92.2	Very high	81.8	Confident	0 Å²	0	44 Å²	44	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-56.7	-40.5	174.9	0	0	0	0	0	111.8	I337 R780 R781 E782 L786 L787 D788 S822	I337-A784 HydrophobicContact CG2-CB 4.2Å; R780-A784 PolarHBondContact O-N 2.94Å; R781-A784 WeakPolarHBondContact O-CB 3.25Å; R781-A784 PolarHBondContact O-N 3.01Å; E782-A784 PolarHBondContact O-N 3.48Å; A784-L786 PolarHBondContact O-N 2.58Å; A784-L787 PolarHBondContact O-N 3.05Å; A784-D788 VanDerWaalsContact O-CB 3.23Å; A784-D788 WeakPolarHBondContact O-CB 3.49Å; A784-D788 PolarHBondContact O-N 3.46Å; A784-S822 VanDerWaalsContact CB-OG 3.23Å; A784-S822 WeakPolarHBondContact CB-OG 3.5Å
785	S	89.4	Confident	80.9	Confident	31 Å²	31	46.5 Å²	46.5	22%	0.217	26%	0.257	C	S	.	.	H	α-helix	trans	-66.9	-20.5	177.8	77.9	0	0	0	0	115	S340 N389 R781 E782 L783 P789	S340-S785 VanDerWaalsContact O-CA 3.23Å; S340-S785 WeakPolarHBondContact O-CA 3.45Å; S340-S785 WeakPolarHBondContact O-CB 3.2Å; N389-S785 WeakPolarHBondContact ND2-CB 3.4Å; R781-S785 PolarHBondContact O-N 2.77Å; E782-S785 WeakPolarHBondContact CA-OG 3.49Å; E782-S785 PolarHBondContact O-N 2.9Å; E782-S785 VanDerWaalsContact O-N 3.15Å; E782-S785 PolarHBondContact O-OG 2.76Å; L783-S785 VanDerWaalsContact C-N 3.26Å; L783-S785 PolarHBondContact O-N 2.78Å; S785-P789 WeakPolarHBondContact O-CG 3.39Å
786	L	89.6	Confident	80.6	Confident	51 Å²	51	47.4 Å²	47.4	27%	0.267	26%	0.261	S	S	.	.	H	α-helix	trans	-94.2	-27.3	175.2	-67.3	-179.9	0	0	0	113.9	E782 L783 A784 R853 D855 A856 I859	E782-L786 PolarHBondContact O-N 2.93Å; L783-L786 PolarHBondContact O-N 2.85Å; L783-L786 VanDerWaalsContact O-N 3.08Å; A784-L786 PolarHBondContact O-N 2.58Å; L786-R853 PolarHBondContact O-NH2 3.38Å; L786-D855 HydrophobicContact CD1-CB 4.09Å; L786-D855 WeakPolarHBondContact CD1-OD2 3.31Å; L786-A856 HydrophobicContact CD1-CB 4.32Å; L786-I859 HydrophobicContact CD1-CD1 3.36Å; L786-I859 HydrophobicContact CG-CD1 4.25Å
787	L	91.4	Very high	80.7	Confident	1 Å²	1	45.8 Å²	45.8	1%	0.005	25%	0.25	C	C	.	.	H	α-helix	trans	-118.6	-18.4	-165.1	-55	175.3	0	0	0	114.7	L783 A784 D796 W797 L800 T824 L848 R853	L783-L787 WeakPolarHBondContact O-CB 3.44Å; L783-L787 WeakPolarHBondContact O-CG 3.42Å; L783-L787 PolarHBondContact O-N 3.45Å; A784-L787 PolarHBondContact O-N 3.05Å; L787-D796 HydrophobicContact CB-CB 4.38Å; L787-D796 HydrophobicContact CD2-CB 3.88Å; L787-W797 WeakPolarHBondContact O-CB 3.37Å; L787-W797 PolarHBondContact O-N 2.91Å; L787-L800 HydrophobicContact CD1-CD2 4.13Å; L787-T824 HydrophobicContact CB-CG2 4.07Å; L787-T824 WeakPolarHBondContact CB-OG1 3.13Å; L787-T824 HydrophobicContact CD1-CG2 4.07Å; L787-L848 HydrophobicContact CD1-CD2 4.05Å; L787-R853 HydrophobicContact CD2-CG 4.15Å
788	D	88.2	Confident	80.9	Confident	6 Å²	6	44.2 Å²	44.2	3%	0.032	24%	0.243	C	C	.	.	S	Bend	trans	-75.1	-37.2	168.5	-72.2	-19.5	0	0	0	114.5	S340 A784 V790 S822 T823 T824	S340-D788 PolarHBondContact N-OD2 3.11Å; A784-D788 VanDerWaalsContact O-CB 3.23Å; A784-D788 WeakPolarHBondContact O-CB 3.49Å; A784-D788 PolarHBondContact O-N 3.46Å; D788-V790 PolarHBondContact O-N 3.08Å; D788-S822 VanDerWaalsContact CG-OG 3.29Å; D788-S822 PolarHBondContact OD1-OG 3.13Å; D788-S822 VanDerWaalsContact OD2-CA 3.28Å; D788-S822 WeakPolarHBondContact OD2-CA 3.47Å; D788-S822 WeakPolarHBondContact OD2-CB 3.24Å; D788-S822 PolarHBondContact OD2-OG 3.46Å; D788-T823 PolarHBondContact OD1-N 3.48Å; D788-T823 PolarHBondContact OD1-OG1 3.29Å; D788-T824 PolarHBondContact N-OG1 2.65Å; D788-T824 VanDerWaalsContact OD1-CB 3.25Å; D788-T824 WeakPolarHBondContact OD1-CB 3.49Å; D788-T824 PolarHBondContact OD1-N 3.24Å; D788-T824 PolarHBondContact OD1-OG1 3.05Å
789	P	82.1	Confident	81.2	Confident	55 Å²	55	45.9 Å²	45.9	36%	0.357	25%	0.249	S	C	.	.	S	Bend	trans	-56.8	135.6	175.2	-24.9	35.2	0	0	0	110.8	S785 D791	S785-P789 WeakPolarHBondContact O-CG 3.39Å; P789-D791 PolarHBondContact O-N 3.36Å; P789-D791 VanDerWaalsContact O-N 3.07Å
790	V	66.3	Low	81.4	Confident	112 Å²	112	46 Å²	46	68%	0.679	25%	0.249	S	C	*	.			trans	-73.8	101.9	169.8	-146.3	0	0	0	0	106.6	D788 G794 R795	D788-V790 PolarHBondContact O-N 3.08Å; V790-G794 WeakPolarHBondContact CG1-O 3.36Å; V790-R795 HydrophobicContact CG1-CG 3.99Å
791	D	60.7	Low	81.4	Confident	83 Å²	83	44.9 Å²	44.9	44%	0.444	25%	0.245	S	C	.	.	B	Isolated β-bridge	trans	-66.8	158.2	171.5	-155.7	-34.5	0	0	0	108.7	P789 M793 G794	P789-D791 PolarHBondContact O-N 3.36Å; P789-D791 VanDerWaalsContact O-N 3.07Å; D791-M793 PolarHBondContact O-N 3.36Å; D791-G794 PolarHBondContact N-O 2.9Å; D791-G794 VanDerWaalsContact N-O 3.12Å; D791-G794 PolarHBondContact O-N 2.96Å; D791-G794 VanDerWaalsContact O-N 3.09Å
792	T	52.4	Low	81.6	Confident	125 Å²	125	46.3 Å²	46.3	77%	0.767	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.3	-17.3	174.3	56.2	0	0	0	0	114.5
793	M	46.8	Very low	81.8	Confident	172 Å²	172	49.4 Å²	49.4	85%	0.847	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.4	-8.5	-179.1	-61.3	-63.3	142.1	0	0	114.8	D791	D791-M793 PolarHBondContact O-N 3.36Å
794	G	56.4	Low	82	Confident	21 Å²	21	50.2 Å²	50.2	22%	0.216	28%	0.279	C	S	.	.	B	Isolated β-bridge	trans	167.2	-173.9	-177.9	0	0	0	0	0	117.9	V790 D791	V790-G794 WeakPolarHBondContact CG1-O 3.36Å; D791-G794 PolarHBondContact N-O 2.9Å; D791-G794 VanDerWaalsContact N-O 3.12Å; D791-G794 PolarHBondContact O-N 2.96Å; D791-G794 VanDerWaalsContact O-N 3.09Å
795	R	73	Confident	82	Confident	105 Å²	105	53.1 Å²	53.1	40%	0.396	31%	0.309	S	S	.	.			trans	-107.4	84.5	177.1	-75	171.5	165.8	-149.5	-10.9	108.8	V790 W797 S798 I799 E814	V790-R795 HydrophobicContact CG1-CG 3.99Å; R795-W797 VanDerWaalsContact C-N 3.33Å; R795-W797 PolarHBondContact O-N 2.98Å; R795-S798 VanDerWaalsContact CB-OG 3.23Å; R795-S798 WeakPolarHBondContact CB-OG 3.39Å; R795-S798 WeakPolarHBondContact O-CA 3.38Å; R795-S798 WeakPolarHBondContact O-CB 3.38Å; R795-S798 PolarHBondContact O-N 3.08Å; R795-S798 PolarHBondContact O-OG 3.24Å; R795-I799 PolarHBondContact O-N 3.02Å; R795-E814 IonicContact CZ-OE1 2.7Å; R795-E814 VanDerWaalsContact CZ-OE1 3.25Å; R795-E814 IonicContact CZ-OE2 3.75Å; R795-E814 IonicContact NH1-OE1 2.76Å; R795-E814 PolarHBondContact NH1-OE1 3.36Å; R795-E814 VanDerWaalsContact NH1-OE1 3.11Å; R795-E814 IonicContact NH1-OE2 3.76Å; R795-E814 PolarHBondContact NH1-OE2 3.05Å; R795-E814 IonicContact NH2-OE1 3.73Å; R795-E814 PolarHBondContact NH2-OE1 3.33Å; R795-E814 IonicContact NH2-OE2 3.03Å
796	D	88.1	Confident	82.3	Confident	21 Å²	21	52 Å²	52	11%	0.112	30%	0.301	C	S	.	.	H	α-helix	trans	-59.8	-36.4	-170.1	-84.8	31.4	0	0	0	114.7	L787 S798 I799 L800 R853	L787-D796 HydrophobicContact CB-CB 4.38Å; L787-D796 HydrophobicContact CD2-CB 3.88Å; D796-S798 PolarHBondContact O-N 3.27Å; D796-I799 PolarHBondContact O-N 3.37Å; D796-L800 WeakPolarHBondContact O-CB 3.29Å; D796-L800 PolarHBondContact O-N 3.39Å; D796-R853 WeakPolarHBondContact OD2-CD 3.33Å; D796-R853 IonicContact OD2-CZ 3.74Å; D796-R853 IonicContact OD2-NE 2.75Å; D796-R853 IonicContact OD2-NH1 3.19Å; D796-R853 PolarHBondContact OD2-NH1 3.25Å
797	W	91	Very high	82.4	Confident	11 Å²	11	51.3 Å²	51.3	4%	0.042	31%	0.306	C	S	.	.	H	α-helix	trans	-54.5	-32.4	170.2	65.1	-97.9	0	0	0	113.4	L787 R795 G801 L810 E814 T823 T824 V827	L787-W797 WeakPolarHBondContact O-CB 3.37Å; L787-W797 PolarHBondContact O-N 2.91Å; R795-W797 VanDerWaalsContact C-N 3.33Å; R795-W797 PolarHBondContact O-N 2.98Å; W797-G801 PolarHBondContact O-N 3.48Å; W797-L810 HydrophobicContact CZ3-CD2 4.31Å; W797-E814 HydrophobicContact CH2-CB 3.96Å; W797-E814 HydrophobicContact CH2-CG 4.15Å; W797-E814 HydrophobicContact CZ2-CG 4.49Å; W797-T823 HydrophobicContact CD2-CG2 4.18Å; W797-T823 HydrophobicContact CE3-CG2 4.47Å; W797-T823 HydrophobicContact CZ2-CG2 4.3Å; W797-T824 WeakPolarHBondContact CB-OG1 3.4Å; W797-V827 HydrophobicContact CE3-CG2 4.06Å
798	S	91.1	Very high	82.5	Confident	23 Å²	23	58.9 Å²	58.9	16%	0.161	35%	0.346	C	S	.	.	H	α-helix	trans	-83.1	-33.9	-178.9	75.8	0	0	0	0	111.8	R795 D796 G801 A802 L810	R795-S798 VanDerWaalsContact CB-OG 3.23Å; R795-S798 WeakPolarHBondContact CB-OG 3.39Å; R795-S798 WeakPolarHBondContact O-CA 3.38Å; R795-S798 WeakPolarHBondContact O-CB 3.38Å; R795-S798 PolarHBondContact O-N 3.08Å; R795-S798 PolarHBondContact O-OG 3.24Å; D796-S798 PolarHBondContact O-N 3.27Å; S798-G801 PolarHBondContact O-N 3.46Å; S798-A802 WeakPolarHBondContact O-CB 3.09Å; S798-A802 PolarHBondContact O-N 3.14Å; S798-L810 WeakPolarHBondContact O-CD1 3.28Å
799	I	91.7	Very high	82.7	Confident	66 Å²	66	60.8 Å²	60.8	34%	0.338	36%	0.355	S	S	.	.	H	α-helix	trans	-65	-44.3	170.6	-60.5	172.8	0	0	0	109.5	R795 D796 A802 H803 M851	R795-I799 PolarHBondContact O-N 3.02Å; D796-I799 PolarHBondContact O-N 3.37Å; I799-A802 PolarHBondContact O-N 3.38Å; I799-H803 PolarHBondContact O-N 3.48Å; I799-H803 PolarHBondContact O-ND1 3.05Å; I799-M851 HydrophobicContact CB-CE 4.12Å; I799-M851 HydrophobicContact CG2-CE 3.97Å; I799-M851 HydrophobicContact CG2-CG 4.19Å; I799-M851 HydrophobicContact CG2-SD 4.43Å
800	L	94.2	Very high	83.2	Confident	2 Å²	2	59.6 Å²	59.6	1%	0.01	35%	0.346	C	S	.	.	H	α-helix	trans	-55.9	-55.2	171.4	176.1	63.8	0	0	0	110.7	L787 D796 A802 H803 L804 T824 V827 L828 L844 L848 M851	L787-L800 HydrophobicContact CD1-CD2 4.13Å; D796-L800 WeakPolarHBondContact O-CB 3.29Å; D796-L800 PolarHBondContact O-N 3.39Å; L800-A802 VanDerWaalsContact C-N 3.29Å; L800-A802 PolarHBondContact O-N 3.08Å; L800-H803 PolarHBondContact O-N 2.91Å; L800-H803 VanDerWaalsContact O-N 3.13Å; L800-L804 HydrophobicContact CD1-CD1 3.76Å; L800-L804 HydrophobicContact CD1-CD2 4.44Å; L800-L804 HydrophobicContact CD1-CG 3.97Å; L800-L804 HydrophobicContact CD2-CD1 4.49Å; L800-L804 HydrophobicContact CG-CD1 3.8Å; L800-L804 HydrophobicContact CG-CG 4.32Å; L800-L804 VanDerWaalsContact O-CG 3.29Å; L800-L804 WeakPolarHBondContact O-CG 3.36Å; L800-L804 PolarHBondContact O-N 2.9Å; L800-T824 HydrophobicContact CD2-CG2 4.22Å; L800-V827 HydrophobicContact CD2-CG1 4.47Å; L800-V827 HydrophobicContact CG-CG1 4.38Å; L800-L828 HydrophobicContact CD2-CD2 4.37Å; L800-L844 HydrophobicContact CD1-CD1 3.91Å; L800-L848 HydrophobicContact CD1-CD2 4.02Å; L800-M851 VanDerWaalsContact CA-SD 3.57Å; L800-M851 HydrophobicContact CB-CE 3.97Å; L800-M851 HydrophobicContact CB-SD 3.86Å; L800-M851 HydrophobicContact CD1-SD 3.93Å
801	G	94	Very high	84.3	Confident	0 Å²	0	57.7 Å²	57.7	0%	0	34%	0.342	C	S	.	.	H	α-helix	trans	-58.2	-38.2	179.7	0	0	0	0	0	113.4	W797 S798 L804 G805 L806	W797-G801 PolarHBondContact O-N 3.48Å; S798-G801 PolarHBondContact O-N 3.46Å; G801-L804 PolarHBondContact O-N 3.38Å; G801-G805 PolarHBondContact O-N 3.46Å; G801-L806 WeakPolarHBondContact O-CA 3.3Å; G801-L806 WeakPolarHBondContact O-CB 3.16Å; G801-L806 PolarHBondContact O-N 2.93Å
802	A	93.6	Very high	85.8	Confident	49 Å²	49	58.9 Å²	58.9	41%	0.405	34%	0.344	S	S	.	.	H	α-helix	trans	-62.2	-47.4	173.9	0	0	0	0	0	112.5	S798 I799 L800 L804 G805 L810	S798-A802 WeakPolarHBondContact O-CB 3.09Å; S798-A802 PolarHBondContact O-N 3.14Å; I799-A802 PolarHBondContact O-N 3.38Å; L800-A802 VanDerWaalsContact C-N 3.29Å; L800-A802 PolarHBondContact O-N 3.08Å; A802-L804 VanDerWaalsContact C-N 3.31Å; A802-L804 PolarHBondContact O-N 2.81Å; A802-G805 PolarHBondContact O-N 3.37Å; A802-L810 HydrophobicContact CB-CD1 4.32Å
803	H	93.5	Very high	87.6	Confident	101 Å²	101	53 Å²	53	47%	0.468	31%	0.308	S	S	.	.	H	α-helix	trans	-67.4	-28.9	177.4	-73.4	82.2	0	0	0	113	I799 L800 G805 C847	I799-H803 PolarHBondContact O-N 3.48Å; I799-H803 PolarHBondContact O-ND1 3.05Å; L800-H803 PolarHBondContact O-N 2.91Å; L800-H803 VanDerWaalsContact O-N 3.13Å; H803-G805 PolarHBondContact O-N 3.28Å; H803-C847 WeakPolarHBondContact CB-SG 3.38Å
804	L	95.4	Very high	89.5	Confident	19 Å²	19	48.4 Å²	48.4	10%	0.099	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.5	2.8	172	-62.3	179.2	0	0	0	113.6	L800 G801 A802 V827 L828 W831 L844 C847	L800-L804 HydrophobicContact CD1-CD1 3.76Å; L800-L804 HydrophobicContact CD1-CD2 4.44Å; L800-L804 HydrophobicContact CD1-CG 3.97Å; L800-L804 HydrophobicContact CD2-CD1 4.49Å; L800-L804 HydrophobicContact CG-CD1 3.8Å; L800-L804 HydrophobicContact CG-CG 4.32Å; L800-L804 VanDerWaalsContact O-CG 3.29Å; L800-L804 WeakPolarHBondContact O-CG 3.36Å; L800-L804 PolarHBondContact O-N 2.9Å; G801-L804 PolarHBondContact O-N 3.38Å; A802-L804 VanDerWaalsContact C-N 3.31Å; A802-L804 PolarHBondContact O-N 2.81Å; L804-V827 HydrophobicContact CD1-CG1 4.25Å; L804-L828 HydrophobicContact CD1-CD2 4.16Å; L804-W831 HydrophobicContact CB-CD2 4.2Å; L804-W831 HydrophobicContact CB-CG 4.05Å; L804-W831 HydrophobicContact CD1-CB 4.4Å; L804-W831 HydrophobicContact CD1-CD2 3.87Å; L804-W831 HydrophobicContact CD1-CE3 3.76Å; L804-W831 HydrophobicContact CD1-CG 4.15Å; L804-W831 HydrophobicContact CD1-CZ3 4.29Å; L804-W831 HydrophobicContact CD2-CD2 3.99Å; L804-W831 HydrophobicContact CD2-CE3 4.09Å; L804-W831 HydrophobicContact CD2-CH2 3.82Å; L804-W831 HydrophobicContact CD2-CZ2 3.69Å; L804-W831 HydrophobicContact CD2-CZ3 4Å; L804-W831 HydrophobicContact CG-CD2 4.24Å; L804-W831 HydrophobicContact CG-CE3 4.44Å; L804-W831 PolarHBondContact O-NE1 3.43Å; L804-L844 HydrophobicContact CD1-CD1 4.47Å; L804-C847 HydrophobicContact CD2-CB 3.9Å
805	G	94	Very high	91.1	Very high	61 Å²	61	52.4 Å²	52.4	63%	0.629	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.8	5.7	176.3	0	0	0	0	0	115.6	G801 A802 H803 G807	G801-G805 PolarHBondContact O-N 3.46Å; A802-G805 PolarHBondContact O-N 3.37Å; H803-G805 PolarHBondContact O-N 3.28Å; G805-G807 VanDerWaalsContact C-N 3.31Å; G805-G807 PolarHBondContact O-N 2.83Å
806	L	94.5	Very high	91.7	Very high	8 Å²	8	50.5 Å²	50.5	4%	0.042	32%	0.316	C	S	.	.			trans	-88.7	14	179.3	-61.1	176.9	0	0	0	113.8	G801 N808 Q809 L810 I813 V827 E830 W831	G801-L806 WeakPolarHBondContact O-CA 3.3Å; G801-L806 WeakPolarHBondContact O-CB 3.16Å; G801-L806 PolarHBondContact O-N 2.93Å; L806-N808 VanDerWaalsContact C-N 3.26Å; L806-N808 PolarHBondContact O-N 3.38Å; L806-N808 VanDerWaalsContact O-N 3.15Å; L806-Q809 CarbonylContact O-C 3.57Å; L806-Q809 WeakPolarHBondContact O-CA 3.4Å; L806-Q809 WeakPolarHBondContact O-CB 3.5Å; L806-Q809 PolarHBondContact O-N 3.29Å; L806-Q809 PolarHBondContact O-OE1 3.16Å; L806-L810 PolarHBondContact O-N 2.85Å; L806-L810 VanDerWaalsContact O-N 3.16Å; L806-I813 HydrophobicContact CB-CD1 4.22Å; L806-I813 HydrophobicContact CD1-CD1 3.91Å; L806-V827 HydrophobicContact CD1-CG1 4.25Å; L806-V827 WeakPolarHBondContact CD1-O 3.46Å; L806-E830 HydrophobicContact CD1-CB 4.06Å; L806-W831 HydrophobicContact CD1-CB 3.86Å; L806-W831 HydrophobicContact CG-CB 4.47Å
807	G	92	Very high	91.5	Very high	36 Å²	36	50.7 Å²	50.7	37%	0.371	32%	0.319	S	S	.	.	G	3₁₀ helix	trans	-52.4	-39.9	-172.8	0	0	0	0	0	114.3	G805 Q809	G805-G807 VanDerWaalsContact C-N 3.31Å; G805-G807 PolarHBondContact O-N 2.83Å; G807-Q809 VanDerWaalsContact C-N 3.26Å; G807-Q809 PolarHBondContact O-N 3.28Å
808	N	92.8	Very high	91.2	Very high	160 Å²	160	52 Å²	52	86%	0.856	34%	0.335	S	S	*	.	G	3₁₀ helix	trans	-74.1	-15.7	178.8	-66.2	-19.8	0	0	0	113.4	L806	L806-N808 VanDerWaalsContact C-N 3.26Å; L806-N808 PolarHBondContact O-N 3.38Å; L806-N808 VanDerWaalsContact O-N 3.15Å
809	Q	93.2	Very high	90.8	Very high	47 Å²	47	55.8 Å²	55.8	22%	0.22	36%	0.359	C	S	.	.	G	3₁₀ helix	trans	-102.9	-9.9	-177.1	-66.6	73.6	24.2	0	0	112.7	L806 G807 A811 E812 I813	L806-Q809 CarbonylContact O-C 3.57Å; L806-Q809 WeakPolarHBondContact O-CA 3.4Å; L806-Q809 WeakPolarHBondContact O-CB 3.5Å; L806-Q809 PolarHBondContact O-N 3.29Å; L806-Q809 PolarHBondContact O-OE1 3.16Å; G807-Q809 VanDerWaalsContact C-N 3.26Å; G807-Q809 PolarHBondContact O-N 3.28Å; Q809-A811 PolarHBondContact O-N 2.79Å; Q809-A811 VanDerWaalsContact O-N 3.08Å; Q809-E812 WeakPolarHBondContact O-CA 3.45Å; Q809-E812 WeakPolarHBondContact O-CB 3.09Å; Q809-E812 PolarHBondContact O-N 2.97Å; Q809-I813 HydrophobicContact CB-CD1 3.99Å; Q809-I813 HydrophobicContact CB-CG1 4.26Å; Q809-I813 VanDerWaalsContact O-CG1 3.31Å; Q809-I813 WeakPolarHBondContact O-CG1 3.49Å; Q809-I813 PolarHBondContact O-N 3.22Å
810	L	92	Very high	90.4	Very high	30 Å²	30	59.1 Å²	59.1	16%	0.157	37%	0.374	C	S	.	.	H	α-helix	trans	-52.8	-37.4	-174.2	-67.9	175	0	0	0	113.8	W797 S798 A802 L806 E814	W797-L810 HydrophobicContact CZ3-CD2 4.31Å; S798-L810 WeakPolarHBondContact O-CD1 3.28Å; A802-L810 HydrophobicContact CB-CD1 4.32Å; L806-L810 PolarHBondContact O-N 2.85Å; L806-L810 VanDerWaalsContact O-N 3.16Å; L810-E814 WeakPolarHBondContact O-CB 3.34Å; L810-E814 PolarHBondContact O-N 2.87Å
811	A	90.4	Very high	90.2	Very high	72 Å²	72	60.8 Å²	60.8	60%	0.595	39%	0.388	S	S	*	.	H	α-helix	trans	-73.5	-34.1	176.4	0	0	0	0	0	113.5	Q809 S815	Q809-A811 PolarHBondContact O-N 2.79Å; Q809-A811 VanDerWaalsContact O-N 3.08Å; A811-S815 WeakPolarHBondContact O-CB 3.47Å; A811-S815 PolarHBondContact O-N 2.89Å; A811-S815 PolarHBondContact O-OG 3.45Å
812	E	91.6	Very high	90	Very high	107 Å²	107	61 Å²	61	50%	0.5	39%	0.389	S	S	.	.	H	α-helix	trans	-64.4	-46.5	170.8	-178.6	-172.6	-154.5	0	0	109.7	Q809 S815 A816 R834	Q809-E812 WeakPolarHBondContact O-CA 3.45Å; Q809-E812 WeakPolarHBondContact O-CB 3.09Å; Q809-E812 PolarHBondContact O-N 2.97Å; E812-S815 PolarHBondContact O-N 3.42Å; E812-S815 PolarHBondContact O-OG 2.94Å; E812-A816 WeakPolarHBondContact O-CB 3.32Å; E812-A816 PolarHBondContact O-N 3.29Å; E812-R834 IonicContact OE1-NH2 3.75Å; E812-R834 IonicContact OE2-CZ 3.61Å; E812-R834 IonicContact OE2-NH1 3.69Å; E812-R834 IonicContact OE2-NH2 3.7Å; E812-R834 PolarHBondContact OE2-NH2 2.82Å
813	I	89.6	Confident	90	Very high	1 Å²	1	59.5 Å²	59.5	1%	0.005	38%	0.375	C	S	.	.	H	α-helix	trans	-62.3	-45.8	179.3	-65.5	174.9	0	0	0	111.1	L806 Q809 C817 R826 V827 E830	L806-I813 HydrophobicContact CB-CD1 4.22Å; L806-I813 HydrophobicContact CD1-CD1 3.91Å; Q809-I813 HydrophobicContact CB-CD1 3.99Å; Q809-I813 HydrophobicContact CB-CG1 4.26Å; Q809-I813 VanDerWaalsContact O-CG1 3.31Å; Q809-I813 WeakPolarHBondContact O-CG1 3.49Å; Q809-I813 PolarHBondContact O-N 3.22Å; I813-C817 WeakPolarHBondContact O-CB 3.5Å; I813-C817 PolarHBondContact O-N 2.75Å; I813-C817 VanDerWaalsContact O-N 3.08Å; I813-R826 HydrophobicContact CG2-CB 4.28Å; I813-R826 HydrophobicContact CG2-CG 3.84Å; I813-V827 HydrophobicContact CG2-CG2 3.9Å; I813-E830 HydrophobicContact CD1-CB 4.1Å; I813-E830 HydrophobicContact CD1-CG 4.18Å; I813-E830 HydrophobicContact CG1-CG 4.1Å
814	E	88.1	Confident	90	Very high	77 Å²	77	54.7 Å²	54.7	36%	0.36	35%	0.353	S	S	.	.	H	α-helix	trans	-64.6	-46.4	177.9	-174.1	175	-174.3	0	0	111.9	R795 W797 L810 A816 C817	R795-E814 IonicContact CZ-OE1 2.7Å; R795-E814 VanDerWaalsContact CZ-OE1 3.25Å; R795-E814 IonicContact CZ-OE2 3.75Å; R795-E814 IonicContact NH1-OE1 2.76Å; R795-E814 PolarHBondContact NH1-OE1 3.36Å; R795-E814 VanDerWaalsContact NH1-OE1 3.11Å; R795-E814 IonicContact NH1-OE2 3.76Å; R795-E814 PolarHBondContact NH1-OE2 3.05Å; R795-E814 IonicContact NH2-OE1 3.73Å; R795-E814 PolarHBondContact NH2-OE1 3.33Å; R795-E814 IonicContact NH2-OE2 3.03Å; W797-E814 HydrophobicContact CH2-CB 3.96Å; W797-E814 HydrophobicContact CH2-CG 4.15Å; W797-E814 HydrophobicContact CZ2-CG 4.49Å; L810-E814 WeakPolarHBondContact O-CB 3.34Å; L810-E814 PolarHBondContact O-N 2.87Å; E814-A816 PolarHBondContact O-N 3.04Å; E814-C817 WeakPolarHBondContact O-CB 3.48Å; E814-C817 PolarHBondContact O-N 3.33Å
815	S	88.6	Confident	89.9	Confident	104 Å²	104	55 Å²	55	73%	0.727	36%	0.355	S	S	*	.	H	α-helix	trans	-72	-26	-179.2	57.4	0	0	0	0	114	A811 E812	A811-S815 WeakPolarHBondContact O-CB 3.47Å; A811-S815 PolarHBondContact O-N 2.89Å; A811-S815 PolarHBondContact O-OG 3.45Å; E812-S815 PolarHBondContact O-N 3.42Å; E812-S815 PolarHBondContact O-OG 2.94Å
816	A	87.4	Confident	89.8	Confident	66 Å²	66	57.1 Å²	57.1	55%	0.545	34%	0.344	S	S	.	.	H	α-helix	trans	-84.1	-11.2	171.8	0	0	0	0	0	113.6	E812 E814 G818	E812-A816 WeakPolarHBondContact O-CB 3.32Å; E812-A816 PolarHBondContact O-N 3.29Å; E814-A816 PolarHBondContact O-N 3.04Å; A816-G818 PolarHBondContact O-N 3.11Å
817	C	84.1	Confident	89.9	Confident	25 Å²	25	56.8 Å²	56.8	17%	0.169	34%	0.342	C	S	.	.	S	Bend	trans	-78.1	120.1	177.6	-158.7	0	0	0	0	110.1	I813 E814 T823	I813-C817 WeakPolarHBondContact O-CB 3.5Å; I813-C817 PolarHBondContact O-N 2.75Å; I813-C817 VanDerWaalsContact O-N 3.08Å; E814-C817 WeakPolarHBondContact O-CB 3.48Å; E814-C817 PolarHBondContact O-N 3.33Å; C817-T823 HydrophobicContact CB-CG2 4.34Å
818	G	83	Confident	90.1	Very high	37 Å²	37	55.2 Å²	55.2	38%	0.381	33%	0.325	S	S	.	.			trans	-64	151.5	172	0	0	0	0	0	111.2	A816 E820 A821	A816-G818 PolarHBondContact O-N 3.11Å; G818-E820 PolarHBondContact O-N 2.96Å; G818-A821 WeakPolarHBondContact O-CB 3.46Å; G818-A821 PolarHBondContact O-N 2.91Å
819	P	82.3	Confident	90.1	Very high	103 Å²	103	49.6 Å²	49.6	67%	0.669	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-26.2	-172.4	22.9	-34.1	0	0	0	114.4	K339	K339-P819 VanDerWaalsContact CD-O 3.22Å; K339-P819 WeakPolarHBondContact CD-O 3.29Å
820	E	85.1	Confident	90.2	Very high	136 Å²	136	48.1 Å²	48.1	64%	0.636	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.3	-4.3	178.3	-57.1	-55.4	134.6	0	0	114	S338 K339 G818	S338-E820 CarbonylContact C-O 3.54Å; S338-E820 WeakPolarHBondContact CA-O 3.39Å; S338-E820 VanDerWaalsContact CB-O 3.26Å; S338-E820 WeakPolarHBondContact CB-O 3.33Å; K339-E820 PolarHBondContact N-O 3.4Å; G818-E820 PolarHBondContact O-N 2.96Å
821	A	88.4	Confident	90.4	Very high	38 Å²	38	47.3 Å²	47.3	31%	0.314	29%	0.286	S	S	.	.	B	Isolated β-bridge	trans	-91.2	153.5	-176.8	0	0	0	0	0	112	K339 G818 T823	K339-A821 WeakPolarHBondContact CB-O 3.16Å; G818-A821 WeakPolarHBondContact O-CB 3.46Å; G818-A821 PolarHBondContact O-N 2.91Å; A821-T823 PolarHBondContact O-N 3.39Å
822	S	91.5	Very high	90.7	Very high	4 Å²	4	46.5 Å²	46.5	3%	0.028	27%	0.269	C	S	.	.			trans	-74.4	125.2	173.3	177.3	0	0	0	0	112.1	I337 A784 D788 T824 D825 R826	I337-S822 WeakPolarHBondContact O-CB 3.35Å; I337-S822 PolarHBondContact O-N 3.29Å; I337-S822 VanDerWaalsContact O-N 3.14Å; A784-S822 VanDerWaalsContact CB-OG 3.23Å; A784-S822 WeakPolarHBondContact CB-OG 3.5Å; D788-S822 VanDerWaalsContact CG-OG 3.29Å; D788-S822 PolarHBondContact OD1-OG 3.13Å; D788-S822 VanDerWaalsContact OD2-CA 3.28Å; D788-S822 WeakPolarHBondContact OD2-CA 3.47Å; D788-S822 WeakPolarHBondContact OD2-CB 3.24Å; D788-S822 PolarHBondContact OD2-OG 3.46Å; S822-T824 PolarHBondContact OG-N 2.69Å; S822-D825 PolarHBondContact OG-N 2.9Å; S822-R826 WeakPolarHBondContact O-CB 3.34Å; S822-R826 PolarHBondContact O-N 3.46Å; S822-R826 VanDerWaalsContact O-N 3.07Å
823	T	91.7	Very high	90.9	Very high	17 Å²	17	46.5 Å²	46.5	10%	0.104	27%	0.272	C	S	.	.	H	α-helix	trans	-65	-41.4	170.2	29	0	0	0	0	111.8	D788 W797 C817 A821 R826 V827	D788-T823 PolarHBondContact OD1-N 3.48Å; D788-T823 PolarHBondContact OD1-OG1 3.29Å; W797-T823 HydrophobicContact CD2-CG2 4.18Å; W797-T823 HydrophobicContact CE3-CG2 4.47Å; W797-T823 HydrophobicContact CZ2-CG2 4.3Å; C817-T823 HydrophobicContact CB-CG2 4.34Å; A821-T823 PolarHBondContact O-N 3.39Å; T823-R826 PolarHBondContact O-N 2.86Å; T823-V827 WeakPolarHBondContact O-CG2 3.1Å; T823-V827 PolarHBondContact O-N 3.47Å
824	T	93.5	Very high	91.1	Very high	1 Å²	1	52 Å²	52	1%	0.006	29%	0.293	C	S	.	.	H	α-helix	trans	-62.6	-47.5	177.2	-57.6	0	0	0	0	110.7	L787 D788 W797 L800 S822 R826 V827 L828	L787-T824 HydrophobicContact CB-CG2 4.07Å; L787-T824 WeakPolarHBondContact CB-OG1 3.13Å; L787-T824 HydrophobicContact CD1-CG2 4.07Å; D788-T824 PolarHBondContact N-OG1 2.65Å; D788-T824 VanDerWaalsContact OD1-CB 3.25Å; D788-T824 WeakPolarHBondContact OD1-CB 3.49Å; D788-T824 PolarHBondContact OD1-N 3.24Å; D788-T824 PolarHBondContact OD1-OG1 3.05Å; W797-T824 WeakPolarHBondContact CB-OG1 3.4Å; L800-T824 HydrophobicContact CD2-CG2 4.22Å; S822-T824 PolarHBondContact OG-N 2.69Å; T824-R826 VanDerWaalsContact C-N 3.33Å; T824-R826 PolarHBondContact O-N 2.85Å; T824-V827 WeakPolarHBondContact O-CB 3.3Å; T824-V827 PolarHBondContact O-N 2.66Å; T824-L828 HydrophobicContact CG2-CD1 4.41Å; T824-L828 WeakPolarHBondContact O-CG 3.22Å; T824-L828 PolarHBondContact O-N 2.83Å
825	D	93.9	Very high	91.4	Very high	26 Å²	26	52 Å²	52	14%	0.139	30%	0.295	C	S	.	.	H	α-helix	trans	-68.1	-34.5	179.6	-159.8	79.8	0	0	0	112.3	I337 R780 S822 L828 S829	I337-D825 HydrophobicContact CB-CB 4.15Å; I337-D825 WeakPolarHBondContact CD1-OD1 3.37Å; I337-D825 HydrophobicContact CG2-CB 3.72Å; R780-D825 IonicContact CZ-OD1 2.7Å; R780-D825 IonicContact CZ-OD2 3.88Å; R780-D825 IonicContact NE-OD1 2.8Å; R780-D825 PolarHBondContact NE-OD1 3.23Å; R780-D825 IonicContact NH2-OD1 3.61Å; R780-D825 PolarHBondContact NH2-OD1 3.1Å; R780-D825 IonicContact NH2-OD2 2.68Å; R780-D825 PolarHBondContact NH2-OD2 3.45Å; S822-D825 PolarHBondContact OG-N 2.9Å; D825-L828 PolarHBondContact O-N 3.36Å; D825-S829 VanDerWaalsContact O-CB 3.27Å; D825-S829 WeakPolarHBondContact O-CB 3.43Å; D825-S829 PolarHBondContact O-N 2.86Å; D825-S829 PolarHBondContact O-OG 3.2Å; D825-S829 PolarHBondContact OD2-OG 2.84Å
826	R	93.3	Very high	91.6	Very high	105 Å²	105	52.8 Å²	52.8	40%	0.396	29%	0.286	S	S	.	.	H	α-helix	trans	-64.7	-43.6	171.8	-171.1	67.8	-167.3	-174.3	3.3	111.8	I813 S822 T823 T824 S829 E830	I813-R826 HydrophobicContact CG2-CB 4.28Å; I813-R826 HydrophobicContact CG2-CG 3.84Å; S822-R826 WeakPolarHBondContact O-CB 3.34Å; S822-R826 PolarHBondContact O-N 3.46Å; S822-R826 VanDerWaalsContact O-N 3.07Å; T823-R826 PolarHBondContact O-N 2.86Å; T824-R826 VanDerWaalsContact C-N 3.33Å; T824-R826 PolarHBondContact O-N 2.85Å; R826-S829 PolarHBondContact O-N 3.33Å; R826-E830 HydrophobicContact CG-CG 4.35Å; R826-E830 IonicContact CZ-OE1 2.66Å; R826-E830 VanDerWaalsContact CZ-OE1 3.31Å; R826-E830 IonicContact NE-OE1 3.54Å; R826-E830 PolarHBondContact NE-OE1 3.43Å; R826-E830 IonicContact NH2-OE1 2.65Å; R826-E830 PolarHBondContact NH2-OE1 3.07Å; R826-E830 WeakPolarHBondContact O-CB 3.37Å; R826-E830 WeakPolarHBondContact O-CG 3.11Å; R826-E830 PolarHBondContact O-N 3.45Å
827	V	95.1	Very high	91.8	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-57.7	-48.8	174.5	161.4	0	0	0	0	111.2	W797 L800 L804 L806 I813 T823 T824 S829 E830 W831	W797-V827 HydrophobicContact CE3-CG2 4.06Å; L800-V827 HydrophobicContact CD2-CG1 4.47Å; L800-V827 HydrophobicContact CG-CG1 4.38Å; L804-V827 HydrophobicContact CD1-CG1 4.25Å; L806-V827 HydrophobicContact CD1-CG1 4.25Å; L806-V827 WeakPolarHBondContact CD1-O 3.46Å; I813-V827 HydrophobicContact CG2-CG2 3.9Å; T823-V827 WeakPolarHBondContact O-CG2 3.1Å; T823-V827 PolarHBondContact O-N 3.47Å; T824-V827 WeakPolarHBondContact O-CB 3.3Å; T824-V827 PolarHBondContact O-N 2.66Å; V827-S829 VanDerWaalsContact C-N 3.35Å; V827-S829 PolarHBondContact O-N 3.13Å; V827-E830 PolarHBondContact O-N 3.36Å; V827-W831 WeakPolarHBondContact O-CB 3.47Å; V827-W831 PolarHBondContact O-N 3.12Å
828	L	95.7	Very high	92.3	Very high	3 Å²	3	56.1 Å²	56.1	2%	0.016	30%	0.299	C	S	.	.	H	α-helix	trans	-62.3	-41.6	177.6	-69.8	176	0	0	0	111.9	I772 L783 L800 L804 T824 D825 W831 F832 L844	I772-L828 HydrophobicContact CD1-CB 3.99Å; I772-L828 HydrophobicContact CD1-CD2 4.2Å; I772-L828 WeakPolarHBondContact CD1-O 3.33Å; L783-L828 HydrophobicContact CD1-CD1 4.28Å; L800-L828 HydrophobicContact CD2-CD2 4.37Å; L804-L828 HydrophobicContact CD1-CD2 4.16Å; T824-L828 HydrophobicContact CG2-CD1 4.41Å; T824-L828 WeakPolarHBondContact O-CG 3.22Å; T824-L828 PolarHBondContact O-N 2.83Å; D825-L828 PolarHBondContact O-N 3.36Å; L828-W831 HydrophobicContact CD2-CE3 4.29Å; L828-W831 PolarHBondContact O-N 3.11Å; L828-F832 PolarHBondContact O-N 3.32Å; L828-L844 HydrophobicContact CD2-CD1 3.77Å; L828-L844 HydrophobicContact CD2-CD2 3.99Å
829	S	94.1	Very high	92.9	Very high	43 Å²	43	54.3 Å²	54.3	30%	0.301	28%	0.281	S	S	.	.	H	α-helix	trans	-71.3	-37	-178.9	-59.4	0	0	0	0	113	R780 D825 R826 V827 L833	R780-S829 PolarHBondContact NH2-OG 3.02Å; D825-S829 VanDerWaalsContact O-CB 3.27Å; D825-S829 WeakPolarHBondContact O-CB 3.43Å; D825-S829 PolarHBondContact O-N 2.86Å; D825-S829 PolarHBondContact O-OG 3.2Å; D825-S829 PolarHBondContact OD2-OG 2.84Å; R826-S829 PolarHBondContact O-N 3.33Å; V827-S829 VanDerWaalsContact C-N 3.35Å; V827-S829 PolarHBondContact O-N 3.13Å; S829-L833 WeakPolarHBondContact O-CB 3.47Å; S829-L833 PolarHBondContact O-N 3.32Å
830	E	95.2	Very high	93.7	Very high	15 Å²	15	50.5 Å²	50.5	7%	0.07	26%	0.256	C	S	.	.	H	α-helix	trans	-67	-39.7	171.5	-76.1	-76.9	156.3	0	0	112	L806 I813 R826 V827 L833 R834	L806-E830 HydrophobicContact CD1-CB 4.06Å; I813-E830 HydrophobicContact CD1-CB 4.1Å; I813-E830 HydrophobicContact CD1-CG 4.18Å; I813-E830 HydrophobicContact CG1-CG 4.1Å; R826-E830 HydrophobicContact CG-CG 4.35Å; R826-E830 IonicContact CZ-OE1 2.66Å; R826-E830 VanDerWaalsContact CZ-OE1 3.31Å; R826-E830 IonicContact NE-OE1 3.54Å; R826-E830 PolarHBondContact NE-OE1 3.43Å; R826-E830 IonicContact NH2-OE1 2.65Å; R826-E830 PolarHBondContact NH2-OE1 3.07Å; R826-E830 WeakPolarHBondContact O-CB 3.37Å; R826-E830 WeakPolarHBondContact O-CG 3.11Å; R826-E830 PolarHBondContact O-N 3.45Å; V827-E830 PolarHBondContact O-N 3.36Å; E830-L833 PolarHBondContact O-N 2.81Å; E830-R834 WeakPolarHBondContact O-CB 3.49Å; E830-R834 WeakPolarHBondContact O-CG 3.27Å; E830-R834 PolarHBondContact O-N 2.78Å; E830-R834 IonicContact OE2-CZ 2.97Å; E830-R834 IonicContact OE2-NE 2.73Å; E830-R834 PolarHBondContact OE2-NE 2.8Å; E830-R834 IonicContact OE2-NH2 3.34Å; E830-R834 PolarHBondContact OE2-NH2 2.84Å
831	W	96.9	Very high	94.2	Very high	13 Å²	13	44 Å²	44	5%	0.049	23%	0.226	C	C	.	.	H	α-helix	trans	-62.7	-45.4	175.6	178.1	52.6	0	0	0	111.1	I772 L804 L806 V827 L828 R834 N835 G838 A839 A843 L844	I772-W831 HydrophobicContact CD1-CE3 3.5Å; I772-W831 HydrophobicContact CD1-CZ3 3.82Å; I772-W831 HydrophobicContact CG1-CE3 4.41Å; I772-W831 HydrophobicContact CG1-CZ3 4.37Å; I772-W831 HydrophobicContact CG2-CH2 4.49Å; I772-W831 HydrophobicContact CG2-CZ3 3.77Å; L804-W831 HydrophobicContact CB-CD2 4.2Å; L804-W831 HydrophobicContact CB-CG 4.05Å; L804-W831 HydrophobicContact CD1-CB 4.4Å; L804-W831 HydrophobicContact CD1-CD2 3.87Å; L804-W831 HydrophobicContact CD1-CE3 3.76Å; L804-W831 HydrophobicContact CD1-CG 4.15Å; L804-W831 HydrophobicContact CD1-CZ3 4.29Å; L804-W831 HydrophobicContact CD2-CD2 3.99Å; L804-W831 HydrophobicContact CD2-CE3 4.09Å; L804-W831 HydrophobicContact CD2-CH2 3.82Å; L804-W831 HydrophobicContact CD2-CZ2 3.69Å; L804-W831 HydrophobicContact CD2-CZ3 4Å; L804-W831 HydrophobicContact CG-CD2 4.24Å; L804-W831 HydrophobicContact CG-CE3 4.44Å; L804-W831 PolarHBondContact O-NE1 3.43Å; L806-W831 HydrophobicContact CD1-CB 3.86Å; L806-W831 HydrophobicContact CG-CB 4.47Å; V827-W831 WeakPolarHBondContact O-CB 3.47Å; V827-W831 PolarHBondContact O-N 3.12Å; L828-W831 HydrophobicContact CD2-CE3 4.29Å; L828-W831 PolarHBondContact O-N 3.11Å; W831-R834 PolarHBondContact O-N 2.82Å; W831-N835 PolarHBondContact O-N 2.96Å; W831-G838 WeakPolarHBondContact CZ2-O 3.28Å; W831-A839 HydrophobicContact CD2-CB 3.97Å; W831-A839 HydrophobicContact CE3-CB 4.1Å; W831-A839 HydrophobicContact CH2-CB 4.38Å; W831-A839 HydrophobicContact CZ2-CB 4.27Å; W831-A839 HydrophobicContact CZ3-CB 4.31Å; W831-A843 HydrophobicContact CH2-CB 3.85Å; W831-A843 HydrophobicContact CZ2-CB 3.9Å; W831-L844 HydrophobicContact CH2-CB 4.16Å; W831-L844 HydrophobicContact CZ3-CB 4.05Å; W831-L844 HydrophobicContact CZ3-CD1 4.42Å
832	F	96.5	Very high	94.7	Very high	55 Å²	55	42.3 Å²	42.3	24%	0.241	21%	0.211	C	C	.	.	H	α-helix	trans	-62.2	-42.6	173.2	-177.5	-104.7	0	0	0	112.7	K771 I772 T773 L828 R834 K836 A839	K771-F832 HydrophobicContact CB-CE2 3.92Å; K771-F832 HydrophobicContact CD-CE2 4.47Å; K771-F832 HydrophobicContact CG-CE2 4.21Å; I772-F832 HydrophobicContact CD1-CB 4.03Å; I772-F832 HydrophobicContact CG1-CB 4.14Å; I772-F832 HydrophobicContact CG1-CD2 4.25Å; T773-F832 HydrophobicContact CG2-CD1 3.83Å; T773-F832 HydrophobicContact CG2-CD2 4.22Å; T773-F832 HydrophobicContact CG2-CE1 3.63Å; T773-F832 HydrophobicContact CG2-CE2 4.07Å; T773-F832 HydrophobicContact CG2-CG 4.12Å; T773-F832 HydrophobicContact CG2-CZ 3.77Å; L828-F832 PolarHBondContact O-N 3.32Å; F832-R834 PolarHBondContact O-N 3.09Å; F832-K836 HydrophobicContact CZ-CG 4.47Å; F832-K836 VanDerWaalsContact O-CA 3.3Å; F832-K836 WeakPolarHBondContact O-CA 3.47Å; F832-K836 WeakPolarHBondContact O-CG 3.38Å; F832-K836 PolarHBondContact O-N 3.18Å; F832-K836 VanDerWaalsContact O-N 3.13Å; F832-A839 HydrophobicContact CB-CB 4.19Å; F832-A839 HydrophobicContact CD2-CB 3.85Å
833	L	95.2	Very high	94.9	Very high	107 Å²	107	43.6 Å²	43.6	56%	0.56	22%	0.222	S	C	*	.	H	α-helix	trans	-62.6	-43	179.6	179.8	60.5	0	0	0	112.2	S829 E830	S829-L833 WeakPolarHBondContact O-CB 3.47Å; S829-L833 PolarHBondContact O-N 3.32Å; E830-L833 PolarHBondContact O-N 2.81Å
834	R	94.1	Very high	95.2	Very high	118 Å²	118	42.8 Å²	42.8	45%	0.445	22%	0.218	S	C	.	.	H	α-helix	trans	-87.1	-23.7	-174.6	-62.7	178	-167.9	-125.4	11.7	113.6	E812 E830 W831 F832	E812-R834 IonicContact OE1-NH2 3.75Å; E812-R834 IonicContact OE2-CZ 3.61Å; E812-R834 IonicContact OE2-NH1 3.69Å; E812-R834 IonicContact OE2-NH2 3.7Å; E812-R834 PolarHBondContact OE2-NH2 2.82Å; E830-R834 WeakPolarHBondContact O-CB 3.49Å; E830-R834 WeakPolarHBondContact O-CG 3.27Å; E830-R834 PolarHBondContact O-N 2.78Å; E830-R834 IonicContact OE2-CZ 2.97Å; E830-R834 IonicContact OE2-NE 2.73Å; E830-R834 PolarHBondContact OE2-NE 2.8Å; E830-R834 IonicContact OE2-NH2 3.34Å; E830-R834 PolarHBondContact OE2-NH2 2.84Å; W831-R834 PolarHBondContact O-N 2.82Å; F832-R834 PolarHBondContact O-N 3.09Å
835	N	94.6	Very high	95.4	Very high	76 Å²	76	42.8 Å²	42.8	41%	0.406	22%	0.218	S	C	.	.			trans	-139.7	63.5	179	-171.9	3	0	0	0	111.6	W831 D837 G838 A839	W831-N835 PolarHBondContact O-N 2.96Å; N835-D837 PolarHBondContact O-N 2.88Å; N835-G838 PolarHBondContact O-N 2.93Å; N835-G838 WeakPolarHBondContact OD1-CA 3.29Å; N835-G838 PolarHBondContact OD1-N 3.21Å; N835-A839 WeakPolarHBondContact O-CB 3.27Å; N835-A839 PolarHBondContact O-N 2.7Å
836	K	92.4	Very high	95.6	Very high	120 Å²	120	46.8 Å²	46.8	52%	0.522	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.2	-30.8	-179.7	-67.7	179.7	-178.2	179.1	0	113.4	K771 F832	K771-K836 WeakPolarHBondContact CD-O 3.45Å; K771-K836 WeakPolarHBondContact CE-O 3.39Å; K771-K836 PolarHBondContact NZ-O 2.97Å; F832-K836 HydrophobicContact CZ-CG 4.47Å; F832-K836 VanDerWaalsContact O-CA 3.3Å; F832-K836 WeakPolarHBondContact O-CA 3.47Å; F832-K836 WeakPolarHBondContact O-CG 3.38Å; F832-K836 PolarHBondContact O-N 3.18Å; F832-K836 VanDerWaalsContact O-N 3.13Å
837	D	91.6	Very high	95.7	Very high	132 Å²	132	42.4 Å²	42.4	71%	0.706	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.6	-49.5	-177.7	-69.5	-49.8	0	0	0	113.5	K771 N835 A839	K771-D837 VanDerWaalsContact NZ-CA 3.29Å; K771-D837 PolarHBondContact NZ-O 2.69Å; K771-D837 IonicContact NZ-OD1 2.76Å; N835-D837 PolarHBondContact O-N 2.88Å; D837-A839 PolarHBondContact O-N 2.78Å
838	G	93.4	Very high	95.8	Very high	29 Å²	29	42.4 Å²	42.4	30%	0.299	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.6	-13.4	176.2	0	0	0	0	0	115.6	W831 N835 T840 A843	W831-G838 WeakPolarHBondContact CZ2-O 3.28Å; N835-G838 PolarHBondContact O-N 2.93Å; N835-G838 WeakPolarHBondContact OD1-CA 3.29Å; N835-G838 PolarHBondContact OD1-N 3.21Å; G838-T840 PolarHBondContact O-N 3.32Å; G838-A843 WeakPolarHBondContact O-CB 3.1Å
839	A	97	Very high	95.7	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	23%	0.231	C	C	.	.			trans	-76.2	60.6	179.6	0	0	0	0	0	113.5	K771 I772 W831 F832 N835 D837	K771-A839 WeakPolarHBondContact CA-O 3.45Å; I772-A839 HydrophobicContact CG1-CB 4.27Å; I772-A839 PolarHBondContact N-O 3.04Å; I772-A839 VanDerWaalsContact N-O 3.13Å; W831-A839 HydrophobicContact CD2-CB 3.97Å; W831-A839 HydrophobicContact CE3-CB 4.1Å; W831-A839 HydrophobicContact CH2-CB 4.38Å; W831-A839 HydrophobicContact CZ2-CB 4.27Å; W831-A839 HydrophobicContact CZ3-CB 4.31Å; F832-A839 HydrophobicContact CB-CB 4.19Å; F832-A839 HydrophobicContact CD2-CB 3.85Å; N835-A839 WeakPolarHBondContact O-CB 3.27Å; N835-A839 PolarHBondContact O-N 2.7Å; D837-A839 PolarHBondContact O-N 2.78Å
840	T	97.5	Very high	95.7	Very high	23 Å²	23	48.8 Å²	48.8	14%	0.141	25%	0.247	C	C	.	.	B	Isolated β-bridge	trans	-99.6	161.1	177.3	74.1	0	0	0	0	112.7	I768 L770 K771 G838 G842 A843 L844	I768-T840 VanDerWaalsContact O-CB 3.31Å; I768-T840 WeakPolarHBondContact O-CB 3.35Å; I768-T840 PolarHBondContact O-OG1 3.32Å; L770-T840 CarbonylContact O-C 3.54Å; L770-T840 VanDerWaalsContact O-CA 3.28Å; L770-T840 WeakPolarHBondContact O-CA 3.28Å; K771-T840 HydrophobicContact CD-CG2 4.38Å; G838-T840 PolarHBondContact O-N 3.32Å; T840-G842 VanDerWaalsContact C-N 3.3Å; T840-G842 PolarHBondContact O-N 3.4Å; T840-A843 PolarHBondContact O-N 3.08Å; T840-A843 PolarHBondContact OG1-N 3.42Å; T840-L844 PolarHBondContact O-N 3.23Å; T840-L844 VanDerWaalsContact O-N 3.1Å
841	V	97.3	Very high	95.6	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-55.2	-44.5	171	163.2	0	0	0	0	111.6	G767 L770 I775 A843 L844 L845 I864	G767-V841 WeakPolarHBondContact O-CB 3.28Å; G767-V841 WeakPolarHBondContact O-CG1 3.32Å; L770-V841 HydrophobicContact CB-CG2 4.08Å; L770-V841 WeakPolarHBondContact O-CG2 3.3Å; L770-V841 PolarHBondContact O-N 3.09Å; I775-V841 HydrophobicContact CD1-CG2 4.33Å; I775-V841 HydrophobicContact CG1-CG2 4.1Å; V841-A843 PolarHBondContact O-N 2.95Å; V841-L844 PolarHBondContact O-N 2.69Å; V841-L845 HydrophobicContact CG1-CD1 3.67Å; V841-L845 HydrophobicContact CG1-CG 4.41Å; V841-L845 WeakPolarHBondContact O-CB 3.11Å; V841-L845 WeakPolarHBondContact O-CG 3.05Å; V841-L845 PolarHBondContact O-N 3.08Å; V841-I864 HydrophobicContact CB-CD1 4.19Å; V841-I864 HydrophobicContact CG1-CD1 3.42Å; V841-I864 VanDerWaalsContact CG1-CD1 3.42Å; V841-I864 HydrophobicContact CG1-CG2 4.29Å; V841-I864 HydrophobicContact CG2-CD1 3.72Å; V841-I864 HydrophobicContact CG2-CG2 4.22Å
842	G	97.4	Very high	95.3	Very high	1 Å²	1	52 Å²	52	1%	0.01	28%	0.279	C	S	.	.	H	α-helix	trans	-63.7	-39	-179.7	0	0	0	0	0	112.9	I768 T840 R846	I768-G842 PolarHBondContact O-N 3.04Å; T840-G842 VanDerWaalsContact C-N 3.3Å; T840-G842 PolarHBondContact O-N 3.4Å; G842-R846 WeakPolarHBondContact O-CB 3.47Å; G842-R846 VanDerWaalsContact O-CG 3.27Å; G842-R846 WeakPolarHBondContact O-CG 3.43Å; G842-R846 PolarHBondContact O-N 2.94Å
843	A	97.4	Very high	95.1	Very high	31 Å²	31	51.2 Å²	51.2	26%	0.256	28%	0.275	S	S	.	.	H	α-helix	trans	-65.3	-42.7	173.6	0	0	0	0	0	111.8	W831 G838 T840 V841 R846 C847	W831-A843 HydrophobicContact CH2-CB 3.85Å; W831-A843 HydrophobicContact CZ2-CB 3.9Å; G838-A843 WeakPolarHBondContact O-CB 3.1Å; T840-A843 PolarHBondContact O-N 3.08Å; T840-A843 PolarHBondContact OG1-N 3.42Å; V841-A843 PolarHBondContact O-N 2.95Å; A843-R846 PolarHBondContact O-N 2.84Å; A843-C847 WeakPolarHBondContact O-CB 3.48Å; A843-C847 PolarHBondContact O-N 2.83Å
844	L	97.7	Very high	95	Very high	1 Å²	1	50.4 Å²	50.4	1%	0.005	27%	0.268	C	S	.	.	H	α-helix	trans	-64.2	-41.8	176.7	-176.8	58.8	0	0	0	112.3	I772 I775 L800 L804 L828 W831 T840 V841 C847 L848 L860	I772-L844 HydrophobicContact CG2-CB 4.27Å; I772-L844 HydrophobicContact CG2-CD2 4.03Å; I775-L844 HydrophobicContact CD1-CD2 3.82Å; L800-L844 HydrophobicContact CD1-CD1 3.91Å; L804-L844 HydrophobicContact CD1-CD1 4.47Å; L828-L844 HydrophobicContact CD2-CD1 3.77Å; L828-L844 HydrophobicContact CD2-CD2 3.99Å; W831-L844 HydrophobicContact CH2-CB 4.16Å; W831-L844 HydrophobicContact CZ3-CB 4.05Å; W831-L844 HydrophobicContact CZ3-CD1 4.42Å; T840-L844 PolarHBondContact O-N 3.23Å; T840-L844 VanDerWaalsContact O-N 3.1Å; V841-L844 PolarHBondContact O-N 2.69Å; L844-C847 WeakPolarHBondContact O-CB 3.08Å; L844-C847 PolarHBondContact O-N 2.99Å; L844-L848 HydrophobicContact CD1-CD1 4.13Å; L844-L848 HydrophobicContact CD1-CG 4.19Å; L844-L848 HydrophobicContact CG-CD1 3.98Å; L844-L848 HydrophobicContact CG-CG 4.47Å; L844-L848 WeakPolarHBondContact O-CG 3.31Å; L844-L848 PolarHBondContact O-N 2.84Å; L844-L860 HydrophobicContact CD2-CD1 3.79Å; L844-L860 HydrophobicContact CG-CD1 3.93Å
845	L	97.8	Very high	94.9	Very high	1 Å²	1	47.8 Å²	47.8	1%	0.005	26%	0.263	C	S	.	.	H	α-helix	trans	-61.9	-47.1	175.9	-77.5	163.3	0	0	0	112	I730 L734 V841 C847 L848 K849 V857 L860 Y861	I730-L845 HydrophobicContact CG2-CD1 3.48Å; I730-L845 VanDerWaalsContact CG2-CD1 3.48Å; L734-L845 HydrophobicContact CD1-CB 4.1Å; L734-L845 HydrophobicContact CD1-CD1 4.2Å; V841-L845 HydrophobicContact CG1-CD1 3.67Å; V841-L845 HydrophobicContact CG1-CG 4.41Å; V841-L845 WeakPolarHBondContact O-CB 3.11Å; V841-L845 WeakPolarHBondContact O-CG 3.05Å; V841-L845 PolarHBondContact O-N 3.08Å; L845-C847 VanDerWaalsContact C-N 3.27Å; L845-C847 PolarHBondContact O-N 3.2Å; L845-L848 PolarHBondContact O-N 3.13Å; L845-K849 WeakPolarHBondContact O-CB 3.39Å; L845-K849 WeakPolarHBondContact O-CG 3.47Å; L845-K849 PolarHBondContact O-N 3.17Å; L845-V857 HydrophobicContact CD2-CG1 4.03Å; L845-L860 HydrophobicContact CD2-CB 3.79Å; L845-L860 HydrophobicContact CD2-CD1 3.91Å; L845-L860 HydrophobicContact CD2-CG 4.46Å; L845-L860 HydrophobicContact CG-CD1 4.06Å; L845-Y861 HydrophobicContact CD1-CE1 4.31Å; L845-Y861 HydrophobicContact CD2-CD1 4.17Å; L845-Y861 HydrophobicContact CD2-CE1 3.88Å
846	R	97.2	Very high	94.9	Very high	110 Å²	110	44.1 Å²	44.1	42%	0.415	24%	0.243	S	C	.	.	H	α-helix	trans	-60.6	-37.1	175.4	-71.3	167.6	177.7	158.8	-4.9	111.6	L734 E736 G842 A843 T850	L734-R846 HydrophobicContact CD2-CG 4.05Å; L734-R846 PolarHBondContact O-NH2 2.97Å; L734-R846 VanDerWaalsContact O-NH2 3.08Å; E736-R846 IonicContact OE1-NH2 2.82Å; G842-R846 WeakPolarHBondContact O-CB 3.47Å; G842-R846 VanDerWaalsContact O-CG 3.27Å; G842-R846 WeakPolarHBondContact O-CG 3.43Å; G842-R846 PolarHBondContact O-N 2.94Å; A843-R846 PolarHBondContact O-N 2.84Å; R846-T850 PolarHBondContact O-N 3.49Å; R846-T850 VanDerWaalsContact O-N 3.11Å; R846-T850 PolarHBondContact O-OG1 2.87Å
847	C	96.2	Very high	95.1	Very high	12 Å²	12	38.4 Å²	38.4	8%	0.081	22%	0.218	C	C	.	.	H	α-helix	trans	-64.9	-54.8	174.8	-173.5	0	0	0	0	112.2	H803 L804 A843 L844 L845 K849 T850 M851	H803-C847 WeakPolarHBondContact CB-SG 3.38Å; L804-C847 HydrophobicContact CD2-CB 3.9Å; A843-C847 WeakPolarHBondContact O-CB 3.48Å; A843-C847 PolarHBondContact O-N 2.83Å; L844-C847 WeakPolarHBondContact O-CB 3.08Å; L844-C847 PolarHBondContact O-N 2.99Å; L845-C847 VanDerWaalsContact C-N 3.27Å; L845-C847 PolarHBondContact O-N 3.2Å; C847-K849 VanDerWaalsContact C-N 3.29Å; C847-K849 PolarHBondContact O-N 3.13Å; C847-T850 WeakPolarHBondContact O-CB 3.27Å; C847-T850 PolarHBondContact O-N 3.18Å; C847-M851 WeakPolarHBondContact O-CG 3.36Å; C847-M851 PolarHBondContact O-N 3.27Å
848	L	95.8	Very high	95.2	Very high	1 Å²	1	34.6 Å²	34.6	1%	0.005	20%	0.198	C	C	.	.	H	α-helix	trans	-63	-33.9	-179	-68.1	168.3	0	0	0	112.5	L783 L787 L800 L844 L845 M851 G852 R853 A856 V857 L860	L783-L848 HydrophobicContact CD2-CD1 4.43Å; L787-L848 HydrophobicContact CD1-CD2 4.05Å; L800-L848 HydrophobicContact CD1-CD2 4.02Å; L844-L848 HydrophobicContact CD1-CD1 4.13Å; L844-L848 HydrophobicContact CD1-CG 4.19Å; L844-L848 HydrophobicContact CG-CD1 3.98Å; L844-L848 HydrophobicContact CG-CG 4.47Å; L844-L848 WeakPolarHBondContact O-CG 3.31Å; L844-L848 PolarHBondContact O-N 2.84Å; L845-L848 PolarHBondContact O-N 3.13Å; L848-M851 HydrophobicContact CD2-SD 4.32Å; L848-M851 PolarHBondContact O-N 2.99Å; L848-G852 PolarHBondContact O-N 3.14Å; L848-R853 PolarHBondContact O-N 3.13Å; L848-A856 HydrophobicContact CD1-CB 3.99Å; L848-A856 HydrophobicContact CD2-CB 3.99Å; L848-A856 HydrophobicContact CG-CB 4.47Å; L848-V857 HydrophobicContact CB-CG2 3.61Å; L848-L860 HydrophobicContact CD1-CD1 3.76Å
849	K	95.2	Very high	95.1	Very high	75 Å²	75	34.1 Å²	34.1	33%	0.326	19%	0.188	S	C	.	.	H	α-helix	trans	-62.1	-44.9	169.8	-80.8	-173.9	160.1	-169.2	0	112.7	E731 L845 C847 M851 G852 V857 Y861	E731-K849 IonicContact OE1-NZ 2.69Å; E731-K849 PolarHBondContact OE1-NZ 3.2Å; E731-K849 IonicContact OE2-NZ 3.36Å; E731-K849 PolarHBondContact OE2-NZ 3.47Å; L845-K849 WeakPolarHBondContact O-CB 3.39Å; L845-K849 WeakPolarHBondContact O-CG 3.47Å; L845-K849 PolarHBondContact O-N 3.17Å; C847-K849 VanDerWaalsContact C-N 3.29Å; C847-K849 PolarHBondContact O-N 3.13Å; K849-M851 PolarHBondContact O-N 3.01Å; K849-G852 PolarHBondContact O-N 3.23Å; K849-V857 HydrophobicContact CG-CG1 4.46Å; K849-V857 HydrophobicContact CG-CG2 3.9Å; K849-Y861 WeakPolarHBondContact CE-OH 3.39Å; K849-Y861 PolarHBondContact NZ-OH 3.02Å
850	T	94.1	Very high	95	Very high	105 Å²	105	34.2 Å²	34.2	64%	0.644	19%	0.189	S	C	*	.	H	α-helix	trans	-61.5	-33.6	175.9	-54.8	0	0	0	0	111.7	R846 C847 G852	R846-T850 PolarHBondContact O-N 3.49Å; R846-T850 VanDerWaalsContact O-N 3.11Å; R846-T850 PolarHBondContact O-OG1 2.87Å; C847-T850 WeakPolarHBondContact O-CB 3.27Å; C847-T850 PolarHBondContact O-N 3.18Å; T850-G852 VanDerWaalsContact C-N 3.28Å; T850-G852 PolarHBondContact O-N 2.95Å
851	M	92	Very high	94.9	Very high	35 Å²	35	33.4 Å²	33.4	17%	0.172	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-6.3	172.7	-63.4	171.5	58.8	0	0	114.4	I799 L800 C847 L848 K849 R853	I799-M851 HydrophobicContact CB-CE 4.12Å; I799-M851 HydrophobicContact CG2-CE 3.97Å; I799-M851 HydrophobicContact CG2-CG 4.19Å; I799-M851 HydrophobicContact CG2-SD 4.43Å; L800-M851 VanDerWaalsContact CA-SD 3.57Å; L800-M851 HydrophobicContact CB-CE 3.97Å; L800-M851 HydrophobicContact CB-SD 3.86Å; L800-M851 HydrophobicContact CD1-SD 3.93Å; C847-M851 WeakPolarHBondContact O-CG 3.36Å; C847-M851 PolarHBondContact O-N 3.27Å; L848-M851 HydrophobicContact CD2-SD 4.32Å; L848-M851 PolarHBondContact O-N 2.99Å; K849-M851 PolarHBondContact O-N 3.01Å; M851-R853 HydrophobicContact CB-CG 4.24Å; M851-R853 HydrophobicContact CE-CG 4.34Å; M851-R853 PolarHBondContact O-N 3.44Å
852	G	91.5	Very high	94.6	Very high	60 Å²	60	36.1 Å²	36.1	62%	0.619	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	71.7	6.7	-174.9	0	0	0	0	0	115.4	L848 K849 T850 Q854	L848-G852 PolarHBondContact O-N 3.14Å; K849-G852 PolarHBondContact O-N 3.23Å; T850-G852 VanDerWaalsContact C-N 3.28Å; T850-G852 PolarHBondContact O-N 2.95Å; G852-Q854 PolarHBondContact O-N 3.15Å
853	R	92	Very high	94.2	Very high	39 Å²	39	36.7 Å²	36.7	15%	0.147	20%	0.197	C	C	.	.			trans	-79.8	66.5	-178.9	-65.4	-55.5	-59.5	-124.2	6.4	111.8	L786 L787 D796 L848 M851 D855 A856 V857	L786-R853 PolarHBondContact O-NH2 3.38Å; L787-R853 HydrophobicContact CD2-CG 4.15Å; D796-R853 WeakPolarHBondContact OD2-CD 3.33Å; D796-R853 IonicContact OD2-CZ 3.74Å; D796-R853 IonicContact OD2-NE 2.75Å; D796-R853 IonicContact OD2-NH1 3.19Å; D796-R853 PolarHBondContact OD2-NH1 3.25Å; L848-R853 PolarHBondContact O-N 3.13Å; M851-R853 HydrophobicContact CB-CG 4.24Å; M851-R853 HydrophobicContact CE-CG 4.34Å; M851-R853 PolarHBondContact O-N 3.44Å; R853-D855 VanDerWaalsContact C-OD1 3.29Å; R853-D855 WeakPolarHBondContact CA-OD1 3.44Å; R853-D855 IonicContact CZ-OD1 2.74Å; R853-D855 IonicContact CZ-OD2 3.16Å; R853-D855 IonicContact NE-OD1 2.75Å; R853-D855 PolarHBondContact NE-OD1 3.47Å; R853-D855 IonicContact NE-OD2 3.77Å; R853-D855 IonicContact NH2-OD1 3.78Å; R853-D855 IonicContact NH2-OD2 2.71Å; R853-D855 PolarHBondContact NH2-OD2 3.35Å; R853-D855 PolarHBondContact O-N 2.98Å; R853-A856 HydrophobicContact CB-CB 4.01Å; R853-A856 PolarHBondContact O-N 3.04Å; R853-A856 VanDerWaalsContact O-N 3.15Å; R853-V857 WeakPolarHBondContact O-CG2 3.45Å; R853-V857 PolarHBondContact O-N 3.07Å
854	Q	93.6	Very high	93.9	Very high	90 Å²	90	35.7 Å²	35.7	42%	0.421	19%	0.187	S	C	.	.	H	α-helix	trans	-60.9	-26	178.7	-177	55	44.9	0	0	112.6	G852 V857 D858	G852-Q854 PolarHBondContact O-N 3.15Å; Q854-V857 PolarHBondContact O-N 3.46Å; Q854-D858 PolarHBondContact NE2-OD1 3.31Å; Q854-D858 WeakPolarHBondContact O-CB 2.89Å; Q854-D858 PolarHBondContact O-N 2.78Å
855	D	92.2	Very high	93.6	Very high	62 Å²	62	37.5 Å²	37.5	33%	0.332	20%	0.203	S	C	.	.	H	α-helix	trans	-65.3	-44.4	173.4	59.1	-24.4	0	0	0	112.9	L786 R853 D858 I859	L786-D855 HydrophobicContact CD1-CB 4.09Å; L786-D855 WeakPolarHBondContact CD1-OD2 3.31Å; R853-D855 VanDerWaalsContact C-OD1 3.29Å; R853-D855 WeakPolarHBondContact CA-OD1 3.44Å; R853-D855 IonicContact CZ-OD1 2.74Å; R853-D855 IonicContact CZ-OD2 3.16Å; R853-D855 IonicContact NE-OD1 2.75Å; R853-D855 PolarHBondContact NE-OD1 3.47Å; R853-D855 IonicContact NE-OD2 3.77Å; R853-D855 IonicContact NH2-OD1 3.78Å; R853-D855 IonicContact NH2-OD2 2.71Å; R853-D855 PolarHBondContact NH2-OD2 3.35Å; R853-D855 PolarHBondContact O-N 2.98Å; D855-D858 PolarHBondContact O-N 3.44Å; D855-I859 PolarHBondContact O-N 2.9Å
856	A	93.9	Very high	93.4	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-66.8	-38.8	173	0	0	0	0	0	112	L783 L786 L848 R853 I859 L860	L783-A856 HydrophobicContact CD2-CB 3.71Å; L786-A856 HydrophobicContact CD1-CB 4.32Å; L848-A856 HydrophobicContact CD1-CB 3.99Å; L848-A856 HydrophobicContact CD2-CB 3.99Å; L848-A856 HydrophobicContact CG-CB 4.47Å; R853-A856 HydrophobicContact CB-CB 4.01Å; R853-A856 PolarHBondContact O-N 3.04Å; R853-A856 VanDerWaalsContact O-N 3.15Å; A856-I859 PolarHBondContact O-N 2.84Å; A856-L860 PolarHBondContact O-N 2.91Å
857	V	96.3	Very high	93.2	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-61.8	-43.3	173.4	169.7	0	0	0	0	111.4	L845 L848 K849 R853 Q854 I859 L860 Y861	L845-V857 HydrophobicContact CD2-CG1 4.03Å; L848-V857 HydrophobicContact CB-CG2 3.61Å; K849-V857 HydrophobicContact CG-CG1 4.46Å; K849-V857 HydrophobicContact CG-CG2 3.9Å; R853-V857 WeakPolarHBondContact O-CG2 3.45Å; R853-V857 PolarHBondContact O-N 3.07Å; Q854-V857 PolarHBondContact O-N 3.46Å; V857-I859 VanDerWaalsContact C-N 3.34Å; V857-I859 PolarHBondContact O-N 2.8Å; V857-L860 PolarHBondContact O-N 3.35Å; V857-L860 VanDerWaalsContact O-N 3.17Å; V857-Y861 HydrophobicContact CG1-CD2 3.84Å; V857-Y861 HydrophobicContact CG1-CE1 4.34Å; V857-Y861 HydrophobicContact CG1-CE2 3.22Å; V857-Y861 VanDerWaalsContact CG1-CZ 3.49Å; V857-Y861 PolarHBondContact O-N 2.91Å
858	D	94	Very high	93	Very high	51 Å²	51	36.2 Å²	36.2	27%	0.273	20%	0.202	S	C	.	.	H	α-helix	trans	-61.7	-37.8	177.3	-111.9	63.3	0	0	0	112.5	Q854 D855 R862	Q854-D858 PolarHBondContact NE2-OD1 3.31Å; Q854-D858 WeakPolarHBondContact O-CB 2.89Å; Q854-D858 PolarHBondContact O-N 2.78Å; D855-D858 PolarHBondContact O-N 3.44Å; D858-R862 VanDerWaalsContact O-CD 3.25Å; D858-R862 WeakPolarHBondContact O-CD 3.31Å; D858-R862 WeakPolarHBondContact O-CG 3.25Å; D858-R862 PolarHBondContact O-N 3.24Å; D858-R862 IonicContact OD2-CZ 3.31Å; D858-R862 IonicContact OD2-NE 3.32Å; D858-R862 PolarHBondContact OD2-NE 2.85Å; D858-R862 IonicContact OD2-NH2 2.65Å; D858-R862 PolarHBondContact OD2-NH2 3.5Å
859	I	92	Very high	92.7	Very high	20 Å²	20	37.7 Å²	37.7	10%	0.103	21%	0.209	C	C	.	.	H	α-helix	trans	-61.2	-45.4	173.7	-73.4	158	0	0	0	110.7	A779 E782 L783 L786 D855 A856 V857 R862 S863	A779-I859 HydrophobicContact CB-CG2 4.09Å; E782-I859 HydrophobicContact CB-CD1 3.83Å; E782-I859 HydrophobicContact CB-CG1 4.38Å; E782-I859 HydrophobicContact CB-CG2 4.16Å; L783-I859 HydrophobicContact CD2-CG2 4.48Å; L786-I859 HydrophobicContact CD1-CD1 3.36Å; L786-I859 HydrophobicContact CG-CD1 4.25Å; D855-I859 PolarHBondContact O-N 2.9Å; A856-I859 PolarHBondContact O-N 2.84Å; V857-I859 VanDerWaalsContact C-N 3.34Å; V857-I859 PolarHBondContact O-N 2.8Å; I859-R862 PolarHBondContact O-N 2.94Å; I859-S863 VanDerWaalsContact O-CB 3.29Å; I859-S863 WeakPolarHBondContact O-CB 3.35Å; I859-S863 PolarHBondContact O-N 3.02Å; I859-S863 PolarHBondContact O-OG 3.22Å
860	L	95.1	Very high	92	Very high	1 Å²	1	38 Å²	38	1%	0.005	22%	0.217	C	C	.	.	H	α-helix	trans	-64.9	-46.8	-179	-67.9	-168.7	0	0	0	111.9	I775 L783 L844 L845 L848 A856 V857 R862 S863 I864	I775-L860 HydrophobicContact CD1-CD2 4.07Å; I775-L860 HydrophobicContact CG2-CD2 4.05Å; L783-L860 HydrophobicContact CD1-CD2 3.83Å; L783-L860 HydrophobicContact CD2-CD2 4.35Å; L783-L860 HydrophobicContact CD2-CG 4.43Å; L783-L860 HydrophobicContact CG-CD2 4.35Å; L844-L860 HydrophobicContact CD2-CD1 3.79Å; L844-L860 HydrophobicContact CG-CD1 3.93Å; L845-L860 HydrophobicContact CD2-CB 3.79Å; L845-L860 HydrophobicContact CD2-CD1 3.91Å; L845-L860 HydrophobicContact CD2-CG 4.46Å; L845-L860 HydrophobicContact CG-CD1 4.06Å; L848-L860 HydrophobicContact CD1-CD1 3.76Å; A856-L860 PolarHBondContact O-N 2.91Å; V857-L860 PolarHBondContact O-N 3.35Å; V857-L860 VanDerWaalsContact O-N 3.17Å; L860-R862 PolarHBondContact O-N 3.11Å; L860-S863 PolarHBondContact O-N 2.85Å; L860-S863 VanDerWaalsContact O-N 3.14Å; L860-I864 HydrophobicContact CB-CD1 3.89Å; L860-I864 HydrophobicContact CD2-CD1 4.01Å; L860-I864 HydrophobicContact CG-CD1 4.36Å; L860-I864 WeakPolarHBondContact O-CG1 3.44Å; L860-I864 PolarHBondContact O-N 2.98Å
861	Y	94	Very high	90.9	Very high	7 Å²	7	35.4 Å²	35.4	3%	0.027	20%	0.201	C	C	.	.	H	α-helix	trans	-56.4	-33.5	176.3	-68.4	-37.9	0	0	0	113.3	P726 N727 I730 E731 L845 K849 V857	P726-Y861 WeakPolarHBondContact CB-O 3.33Å; N727-Y861 HydrophobicContact CB-CD1 4.1Å; N727-Y861 HydrophobicContact CB-CD2 3.38Å; N727-Y861 HydrophobicContact CB-CE2 3.89Å; N727-Y861 HydrophobicContact CB-CG 3.51Å; I730-Y861 HydrophobicContact CB-CD1 3.75Å; I730-Y861 HydrophobicContact CB-CE1 3.84Å; I730-Y861 HydrophobicContact CG1-CD1 4.19Å; I730-Y861 HydrophobicContact CG2-CD1 3.8Å; I730-Y861 HydrophobicContact CG2-CE1 3.62Å; E731-Y861 HydrophobicContact CG-CE1 4.47Å; E731-Y861 PolarHBondContact OE1-OH 3.28Å; E731-Y861 PolarHBondContact OE2-OH 3.04Å; L845-Y861 HydrophobicContact CD1-CE1 4.31Å; L845-Y861 HydrophobicContact CD2-CD1 4.17Å; L845-Y861 HydrophobicContact CD2-CE1 3.88Å; K849-Y861 WeakPolarHBondContact CE-OH 3.39Å; K849-Y861 PolarHBondContact NZ-OH 3.02Å; V857-Y861 HydrophobicContact CG1-CD2 3.84Å; V857-Y861 HydrophobicContact CG1-CE1 4.34Å; V857-Y861 HydrophobicContact CG1-CE2 3.22Å; V857-Y861 VanDerWaalsContact CG1-CZ 3.49Å; V857-Y861 PolarHBondContact O-N 2.91Å
862	R	90.5	Very high	89.1	Confident	57 Å²	57	39.4 Å²	39.4	22%	0.215	22%	0.221	C	C	.	.	H	α-helix	trans	-84.3	-14.3	-177.8	-65	168.7	-170.1	-70	-10.5	114.4	E705 D858 I859 L860	E705-R862 HydrophobicContact CG-CB 4.07Å; E705-R862 HydrophobicContact CG-CG 4.33Å; E705-R862 WeakPolarHBondContact OE1-CD 3.34Å; E705-R862 VanDerWaalsContact OE1-CG 3.24Å; E705-R862 WeakPolarHBondContact OE1-CG 3.47Å; E705-R862 IonicContact OE1-CZ 2.78Å; E705-R862 IonicContact OE1-NE 2.71Å; E705-R862 IonicContact OE1-NH1 3.19Å; E705-R862 PolarHBondContact OE1-NH1 3.03Å; E705-R862 IonicContact OE2-NH1 3.64Å; D858-R862 VanDerWaalsContact O-CD 3.25Å; D858-R862 WeakPolarHBondContact O-CD 3.31Å; D858-R862 WeakPolarHBondContact O-CG 3.25Å; D858-R862 PolarHBondContact O-N 3.24Å; D858-R862 IonicContact OD2-CZ 3.31Å; D858-R862 IonicContact OD2-NE 3.32Å; D858-R862 PolarHBondContact OD2-NE 2.85Å; D858-R862 IonicContact OD2-NH2 2.65Å; D858-R862 PolarHBondContact OD2-NH2 3.5Å; I859-R862 PolarHBondContact O-N 2.94Å; L860-R862 PolarHBondContact O-N 3.11Å
863	S	90.4	Very high	86.8	Confident	12 Å²	12	43.8 Å²	43.8	8%	0.084	23%	0.23	C	C	.	.	H	α-helix	trans	-124.9	-4.5	-164.8	-44	0	0	0	0	114.6	R606 P776 A779 I859 L860	R606-S863 PolarHBondContact NH2-OG 2.88Å; P776-S863 VanDerWaalsContact CD-O 3.22Å; P776-S863 WeakPolarHBondContact CD-O 3.28Å; P776-S863 WeakPolarHBondContact CG-O 3.35Å; A779-S863 VanDerWaalsContact CB-CB 3.43Å; I859-S863 VanDerWaalsContact O-CB 3.29Å; I859-S863 WeakPolarHBondContact O-CB 3.35Å; I859-S863 PolarHBondContact O-N 3.02Å; I859-S863 PolarHBondContact O-OG 3.22Å; L860-S863 PolarHBondContact O-N 2.85Å; L860-S863 VanDerWaalsContact O-N 3.14Å
864	I	91.6	Very high	84.4	Confident	11 Å²	11	46 Å²	46	6%	0.056	25%	0.251	C	S	.	.	S	Bend	trans	-109	137.2	179.8	-58.3	172.8	0	0	0	108.7	L770 I775 V841 L860 P866	L770-I864 HydrophobicContact CD1-CG2 3.98Å; I775-I864 HydrophobicContact CD1-CD1 4.35Å; I775-I864 HydrophobicContact CG1-CD1 3.95Å; I775-I864 HydrophobicContact CG1-CG1 4.21Å; V841-I864 HydrophobicContact CB-CD1 4.19Å; V841-I864 HydrophobicContact CG1-CD1 3.42Å; V841-I864 VanDerWaalsContact CG1-CD1 3.42Å; V841-I864 HydrophobicContact CG1-CG2 4.29Å; V841-I864 HydrophobicContact CG2-CD1 3.72Å; V841-I864 HydrophobicContact CG2-CG2 4.22Å; L860-I864 HydrophobicContact CB-CD1 3.89Å; L860-I864 HydrophobicContact CD2-CD1 4.01Å; L860-I864 HydrophobicContact CG-CD1 4.36Å; L860-I864 WeakPolarHBondContact O-CG1 3.44Å; L860-I864 PolarHBondContact O-N 2.98Å; I864-P866 WeakPolarHBondContact O-CD 3.41Å
865	A	90.9	Very high	81.4	Confident	39 Å²	39	48.9 Å²	48.9	32%	0.322	27%	0.27	S	S	.	.			trans	-62	127.9	173.7	0	0	0	0	0	110.4	G767 Y867	G767-A865 WeakPolarHBondContact CA-O 3.42Å; A865-Y867 VanDerWaalsContact CB-O 3.3Å; A865-Y867 WeakPolarHBondContact CB-O 3.43Å; A865-Y867 PolarHBondContact O-N 3.05Å
866	P	92.6	Very high	78.6	Confident	1 Å²	1	55.1 Å²	55.1	1%	0.006	29%	0.294	C	S	.	.	S	Bend	trans	-61.7	-16	179.9	-26.8	36.9	0	0	0	114.9	R706 F708 I729 I730 Q733 G767 I864	R706-P866 HydrophobicContact CB-CG 4.4Å; F708-P866 HydrophobicContact CE2-CG 4.24Å; I729-P866 HydrophobicContact CB-CB 4.42Å; I729-P866 HydrophobicContact CG2-CB 3.92Å; I730-P866 HydrophobicContact CD1-CB 4.5Å; Q733-P866 PolarHBondContact NE2-O 2.92Å; G767-P866 WeakPolarHBondContact CA-O 3.41Å; G767-P866 PolarHBondContact N-O 3.34Å; I864-P866 WeakPolarHBondContact O-CD 3.41Å
867	Y	93.6	Very high	75.6	Confident	3 Å²	3	62.5 Å²	62.5	1%	0.012	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	166.7	168.4	55.8	-92.9	0	0	0	109.5	F681 E685 F708 V753 L764 K765 A865	F681-Y867 HydrophobicContact CZ-CE2 4.36Å; E685-Y867 WeakPolarHBondContact OE1-CE2 3.46Å; E685-Y867 PolarHBondContact OE1-OH 3.28Å; F708-Y867 HydrophobicContact CE1-CE1 4.02Å; F708-Y867 HydrophobicContact CE2-CE1 4.39Å; F708-Y867 AromaticContact CZ-CE1 3.52Å; F708-Y867 HydrophobicContact CZ-CE1 3.52Å; V753-Y867 HydrophobicContact CB-CE1 4.42Å; V753-Y867 HydrophobicContact CG1-CD1 3.59Å; V753-Y867 HydrophobicContact CG1-CE1 3.31Å; V753-Y867 HydrophobicContact CG1-CG 4.35Å; V753-Y867 HydrophobicContact CG2-CD1 4.48Å; V753-Y867 HydrophobicContact CG2-CE1 4.25Å; L764-Y867 HydrophobicContact CD1-CG 4.38Å; L764-Y867 HydrophobicContact CD2-CD2 3.6Å; L764-Y867 HydrophobicContact CD2-CE2 4.25Å; L764-Y867 HydrophobicContact CD2-CG 4.03Å; K765-Y867 CarbonylContact O-C 3.53Å; K765-Y867 VanDerWaalsContact O-CA 3.22Å; K765-Y867 WeakPolarHBondContact O-CA 3.35Å; K765-Y867 WeakPolarHBondContact O-CB 3.4Å; A865-Y867 VanDerWaalsContact CB-O 3.3Å; A865-Y867 WeakPolarHBondContact CB-O 3.43Å; A865-Y867 PolarHBondContact O-N 3.05Å
868	L	92.6	Very high	72.4	Confident	91 Å²	91	68 Å²	68	48%	0.476	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	126.8	158.5	176.5	66.6	0	0	0	107.7	K765 L770 V870	K765-L868 PolarHBondContact N-O 2.96Å; K765-L868 PolarHBondContact O-N 2.65Å; L770-L868 HydrophobicContact CD2-CB 3.68Å; L770-L868 HydrophobicContact CD2-CD2 4.29Å; L868-V870 HydrophobicContact CD2-CG2 4.13Å; L868-V870 HydrophobicContact CG-CG2 4.06Å
869	F	89.6	Confident	69.3	Low	33 Å²	33	69.9 Å²	69.9	15%	0.145	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	133.2	171.8	174.6	-121.6	0	0	0	109.7	F681 Y682 I760 L764 P871	F681-F869 HydrophobicContact CD1-CZ 4.45Å; F681-F869 HydrophobicContact CE1-CB 4.29Å; F681-F869 AromaticContact CE1-CD1 3.81Å; F681-F869 HydrophobicContact CE1-CD1 3.81Å; F681-F869 AromaticContact CE1-CD2 3.75Å; F681-F869 HydrophobicContact CE1-CD2 3.75Å; F681-F869 AromaticContact CE1-CE1 3.97Å; F681-F869 HydrophobicContact CE1-CE1 3.97Å; F681-F869 AromaticContact CE1-CE2 3.92Å; F681-F869 HydrophobicContact CE1-CE2 3.92Å; F681-F869 AromaticContact CE1-CG 3.69Å; F681-F869 HydrophobicContact CE1-CG 3.69Å; F681-F869 HydrophobicContact CE1-CZ 4.02Å; F681-F869 HydrophobicContact CZ-CB 4.24Å; F681-F869 HydrophobicContact CZ-CD2 4.27Å; F681-F869 HydrophobicContact CZ-CG 4.13Å; Y682-F869 HydrophobicContact CD1-CE1 4.09Å; Y682-F869 HydrophobicContact CD1-CZ 4.36Å; Y682-F869 AromaticContact CE1-CE1 3.57Å; Y682-F869 HydrophobicContact CE1-CE1 3.57Å; Y682-F869 AromaticContact CE1-CZ 3.57Å; Y682-F869 HydrophobicContact CE1-CZ 3.57Å; Y682-F869 AromaticContact CZ-CZ 3.8Å; I760-F869 HydrophobicContact CD1-CE2 3.81Å; I760-F869 HydrophobicContact CD1-CZ 3.95Å; L764-F869 HydrophobicContact CD2-CB 3.78Å; L764-F869 HydrophobicContact CD2-CD2 4.02Å; L764-F869 HydrophobicContact CD2-CG 4.36Å; F869-P871 HydrophobicContact CD1-CG 4.29Å; F869-P871 HydrophobicContact CE1-CG 3.76Å; F869-P871 HydrophobicContact CZ-CB 4.46Å; F869-P871 HydrophobicContact CZ-CG 4.14Å
870	V	80.5	Confident	66.2	Low	81 Å²	81	78.7 Å²	78.7	49%	0.491	42%	0.416	S	S	.	.			trans	-130.7	106.3	178.4	-176	0	0	0	0	107.9	S763 L868 M872	S763-V870 PolarHBondContact O-N 3.47Å; L868-V870 HydrophobicContact CD2-CG2 4.13Å; L868-V870 HydrophobicContact CG-CG2 4.06Å; V870-M872 PolarHBondContact O-N 3.16Å
871	P	70.8	Confident	63.1	Low	50 Å²	50	86.1 Å²	86.1	33%	0.325	46%	0.456	S	S	.	.			trans	-60.8	120.9	-176.7	-23.8	32.6	0	0	0	112.7	F869 N873 C874	F869-P871 HydrophobicContact CD1-CG 4.29Å; F869-P871 HydrophobicContact CE1-CG 3.76Å; F869-P871 HydrophobicContact CZ-CB 4.46Å; F869-P871 HydrophobicContact CZ-CG 4.14Å; P871-N873 PolarHBondContact O-N 3.42Å; P871-C874 PolarHBondContact O-N 3.33Å
872	M	54.6	Low	59.8	Low	119 Å²	119	93 Å²	93	59%	0.586	49%	0.493	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	126.6	163.7	-64	-93.2	-144.3	0	0	108.1	S763 V870	S763-M872 WeakPolarHBondContact OG-CG 3.19Å; V870-M872 PolarHBondContact O-N 3.16Å
873	N	42.7	Very low	56.8	Low	152 Å²	152	94.9 Å²	94.9	81%	0.813	52%	0.515	S	S	*	.	T	Hydrogen-bonded Turn	trans	95.2	12.7	-173.4	-51.8	-33.8	0	0	0	117.7	P871 D875	P871-N873 PolarHBondContact O-N 3.42Å; N873-D875 PolarHBondContact O-N 3.31Å
874	C	40.6	Very low	53.7	Low	87 Å²	87	98 Å²	98	59%	0.588	55%	0.548	S	S	*	.			trans	-75	47.8	158.6	-74.5	0	0	0	0	112.7	P871 F876	P871-C874 PolarHBondContact O-N 3.33Å; C874-F876 PolarHBondContact O-N 3.5Å
875	D	30.5	Very low	50.5	Low	150 Å²	150	103.5 Å²	103.5	80%	0.802	58%	0.582	S	S	*	*			trans	-72.7	63.2	165	-77.3	-19.2	0	0	0	109.3	N873 I877	N873-D875 PolarHBondContact O-N 3.31Å; D875-I877 PolarHBondContact O-N 2.89Å
876	F	34.7	Very low	47.3	Very low	192 Å²	192	109.5 Å²	109.5	84%	0.842	60%	0.604	S	S	*	*			trans	-62.6	106	159.5	-100.3	-81.6	0	0	0	107	C874 D878	C874-F876 PolarHBondContact O-N 3.5Å; F876-D878 PolarHBondContact O-N 3.07Å
877	I	29.8	Very low	44	Very low	156 Å²	156	114.8 Å²	114.8	80%	0.8	64%	0.641	S	S	*	*			trans	-25.6	119.6	176.8	-62.7	167.8	0	0	0	110	D875 A879	D875-I877 PolarHBondContact O-N 2.89Å; I877-A879 PolarHBondContact O-N 2.91Å
878	D	28.5	Very low	40.6	Very low	115 Å²	115	122.6 Å²	122.6	62%	0.615	68%	0.677	S	S	*	*			trans	-69	80.9	-175.9	-143.2	-8.4	0	0	0	109.4	F876 R880	F876-D878 PolarHBondContact O-N 3.07Å; D878-R880 PolarHBondContact O-N 3.27Å; D878-R880 WeakPolarHBondContact OD1-CD 3.43Å; D878-R880 WeakPolarHBondContact OD1-CG 3.41Å; D878-R880 IonicContact OD1-NE 3.77Å
879	A	28.9	Very low	37.2	Very low	91 Å²	91	125.9 Å²	125.9	75%	0.752	70%	0.695	S	S	*	*			trans	-70.1	20	172.1	0	0	0	0	0	112	I877 N881	I877-A879 PolarHBondContact O-N 2.91Å; A879-N881 PolarHBondContact O-N 3.21Å
880	R	27.2	Very low	34.1	Very low	205 Å²	205	129.6 Å²	129.6	77%	0.774	73%	0.725	S	S	*	*			trans	-65.8	80.8	156.4	-69.9	-178.8	-176.2	171.8	0.9	108.8	D878	D878-R880 PolarHBondContact O-N 3.27Å; D878-R880 WeakPolarHBondContact OD1-CD 3.43Å; D878-R880 WeakPolarHBondContact OD1-CG 3.41Å; D878-R880 IonicContact OD1-NE 3.77Å
881	N	29.6	Very low	31.3	Very low	157 Å²	157	137.4 Å²	137.4	84%	0.84	75%	0.746	S	S	*	*			trans	-44	144.3	148.8	-79.5	-36.3	0	0	0	109.4	A879	A879-N881 PolarHBondContact O-N 3.21Å
882	D	26.6	Very low	29	Very low	151 Å²	151	140.5 Å²	140.5	81%	0.807	77%	0.769	S	S	*	*	S	Bend	trans	-33.5	141.1	-168.2	-153.9	-15.9	0	0	0	116	G884	D882-G884 VanDerWaalsContact C-N 3.3Å; D882-G884 PolarHBondContact O-N 2.94Å
883	S	27.6	Very low	27.6	Very low	96 Å²	96	140.8 Å²	140.8	67%	0.671	78%	0.777	S	S	*	*			trans	-71.1	75	-170.3	50.5	0	0	0	0	113.3	V885	S883-V885 PolarHBondContact O-N 3.37Å
884	G	24.8	Very low	26.7	Very low	77 Å²	77	139.5 Å²	139.5	79%	0.794	78%	0.775	S	S	*	*			trans	-68.5	60.6	169.5	0	0	0	0	0	113.1	D882 E886	D882-G884 VanDerWaalsContact C-N 3.3Å; D882-G884 PolarHBondContact O-N 2.94Å; G884-E886 PolarHBondContact O-N 3.35Å; G884-E886 VanDerWaalsContact O-N 3.12Å
885	V	24	Very low	25.8	Very low	127 Å²	127	142.6 Å²	142.6	77%	0.77	79%	0.785	S	S	*	*			trans	-84.1	79.3	-178.5	-175.7	0	0	0	0	110.2	S883	S883-V885 PolarHBondContact O-N 3.37Å
886	E	23	Very low	25.4	Very low	166 Å²	166	140.9 Å²	140.9	78%	0.776	78%	0.78	S	S	*	*			trans	-90.6	139.8	160.9	-68.2	-152.6	139.3	0	0	111.3	G884 H888	G884-E886 PolarHBondContact O-N 3.35Å; G884-E886 VanDerWaalsContact O-N 3.12Å; E886-H888 PolarHBondContact O-N 3.32Å
887	S	23.7	Very low	24.8	Very low	112 Å²	112	137.2 Å²	137.2	78%	0.783	78%	0.776	S	S	*	*			trans	-101.6	76.4	-157	45.9	0	0	0	0	113.2	N889	S887-N889 PolarHBondContact O-N 3.23Å
888	H	23.5	Very low	24.5	Very low	166 Å²	166	136.2 Å²	136.2	77%	0.769	77%	0.772	S	S	*	*			trans	-75.6	79.1	-177.8	-76.2	-61.9	0	0	0	115.1	E886 S890	E886-H888 PolarHBondContact O-N 3.32Å; H888-S890 PolarHBondContact O-N 3.46Å
889	N	21.2	Very low	24.3	Very low	161 Å²	161	137.7 Å²	137.7	86%	0.861	77%	0.769	S	S	*	*			trans	-70.9	103.1	149.2	-91.3	-36.7	0	0	0	110	S887	S887-N889 PolarHBondContact O-N 3.23Å
890	S	23.4	Very low	24.1	Very low	110 Å²	110	136.6 Å²	136.6	77%	0.769	76%	0.756	S	S	*	*			trans	-177.8	151.9	142	35.2	0	0	0	0	112.3	H888	H888-S890 PolarHBondContact O-N 3.46Å
891	R	21.8	Very low	24.1	Very low	245 Å²	245	129 Å²	129	93%	0.925	74%	0.737	S	S	*	*			trans	-76.7	130.6	173.7	-69.3	169	167.7	155.1	-7.4	110.4
892	S	23.6	Very low	23.8	Very low	115 Å²	115	123.9 Å²	123.9	80%	0.804	71%	0.714	S	S	*	*			trans	-129.5	136.2	146.9	64.6	0	0	0	0	108.6
893	T	23.5	Very low	23.9	Very low	125 Å²	125	122.3 Å²	122.3	77%	0.767	71%	0.71	S	S	*	*			trans	-103.9	109.6	-170.1	48.8	0	0	0	0	111
894	V	23.8	Very low	23.7	Very low	125 Å²	125	123.4 Å²	123.4	76%	0.758	71%	0.712	S	S	*	*			trans	-124.8	100.5	160.3	-179	0	0	0	0	107.3	T896	V894-T896 VanDerWaalsContact C-N 3.3Å; V894-T896 PolarHBondContact O-N 2.79Å
895	N	22.5	Very low	23.5	Very low	152 Å²	152	124.4 Å²	124.4	81%	0.813	71%	0.707	S	S	*	*			trans	-74.7	85.2	173.9	-69.3	0.1	0	0	0	109
896	T	22.1	Very low	23.7	Very low	114 Å²	114	127.7 Å²	127.7	70%	0.699	73%	0.727	S	S	*	*			trans	-60.8	123.4	154.1	46.2	0	0	0	0	107.4	V894 D898	V894-T896 VanDerWaalsContact C-N 3.3Å; V894-T896 PolarHBondContact O-N 2.79Å; T896-D898 PolarHBondContact O-N 3.08Å
897	P	22.3	Very low	23.7	Very low	115 Å²	115	125.8 Å²	125.8	75%	0.747	73%	0.725	S	S	*	*			trans	-62.3	139.6	177.7	26.8	-33.8	0	0	0	109.6	R899	P897-R899 PolarHBondContact O-N 2.73Å
898	D	22.9	Very low	23.7	Very low	136 Å²	136	126.5 Å²	126.5	73%	0.727	72%	0.722	S	S	*	*			trans	-54.7	115.2	174.2	-78	-65.1	0	0	0	109.6	T896 S900	T896-D898 PolarHBondContact O-N 3.08Å; D898-S900 PolarHBondContact O-N 3.46Å
899	R	25.5	Very low	23.7	Very low	145 Å²	145	124.3 Å²	124.3	55%	0.547	72%	0.719	S	S	.	*			trans	-59.4	101.8	169.3	-83.7	-178.6	162.7	-172.2	-4.4	107.8	E478 P897 A901 S902	E478-R899 IonicContact OE1-CZ 3.77Å; E478-R899 IonicContact OE1-NH2 2.77Å; E478-R899 PolarHBondContact OE1-NH2 2.79Å; E478-R899 IonicContact OE2-CZ 2.82Å; E478-R899 IonicContact OE2-NE 3.82Å; E478-R899 IonicContact OE2-NH2 3.53Å; E478-R899 PolarHBondContact OE2-NH2 3.42Å; P897-R899 PolarHBondContact O-N 2.73Å; R899-A901 PolarHBondContact O-N 3.18Å; R899-S902 WeakPolarHBondContact CB-OG 3.34Å; R899-S902 PolarHBondContact O-N 3.22Å
900	S	24.9	Very low	23.9	Very low	68 Å²	68	122.1 Å²	122.1	48%	0.476	71%	0.711	S	S	.	*	T	Hydrogen-bonded Turn	trans	-62.5	104	-168.1	64	0	0	0	0	110.5	D898	D898-S900 PolarHBondContact O-N 3.46Å
901	A	25.9	Very low	23.9	Very low	46 Å²	46	122.9 Å²	122.9	38%	0.38	71%	0.707	S	S	.	*	T	Hydrogen-bonded Turn	trans	54.4	64.6	-172.8	0	0	0	0	0	114.8	R494 R899	R494-A901 VanDerWaalsContact CZ-O 3.26Å; R494-A901 PolarHBondContact NH1-O 2.84Å; R494-A901 PolarHBondContact NH2-O 2.92Å; R899-A901 PolarHBondContact O-N 3.18Å
902	S	24.4	Very low	24	Very low	50 Å²	50	114.7 Å²	114.7	35%	0.35	69%	0.693	S	S	.	*			trans	-134.9	72.2	151.3	44.1	0	0	0	0	112	R899 V904	R899-S902 WeakPolarHBondContact CB-OG 3.34Å; R899-S902 PolarHBondContact O-N 3.22Å; S902-V904 PolarHBondContact O-N 3.31Å
903	T	27.5	Very low	24.1	Very low	117 Å²	117	114.7 Å²	114.7	72%	0.718	69%	0.685	S	S	*	*			trans	-80	99.4	-176.3	-48.1	0	0	0	0	112.4
904	V	23.1	Very low	24.1	Very low	119 Å²	119	113.9 Å²	113.9	72%	0.721	68%	0.679	S	S	*	*				43.7	109.2	123.8	-179.6	0	0	0	0	118.6	S902	S902-V904 PolarHBondContact O-N 3.31Å
905	S	22.2	Very low	24.1	Very low	99 Å²	99	113 Å²	113	69%	0.692	67%	0.672	S	S	*	*			trans	39.9	125.3	148	69.1	0	0	0	0	121.9
906	T	26.4	Very low	24.3	Very low	195 Å²	195	109.5 Å²	109.5	100%	1.196	66%	0.659	S	S	*	*				-121.8	0	107	55.1	0	0	0	0	108.4

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