A0A077Z606_TRITR Loading...

Nuclear pore complex protein Nup133

AlphaFold DB , UniProt , Accession A0A077Z606, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 1,014 aa.

						>A0A077Z606_TRITR|A0A077Z606
MRLDPVGLEVPVHVAECLANCEKQKSYSAISCRFFNNGDWISFVCNRMTYFWNLREAEVNCYSLPLPQSGLIYHADLLLVLRPINAEYSHNIPGCIVISPEGVVRYWVKASQPSSYIEATIDVKNEVCKSLALLPETRCCLLATSSGSAYLLPFPDESSKRLPLPIALTSHSQGTIAEVARRFSSIFVPPTRQEDYVSTVFPGIVPTNGQLILTVLSSSLRCWKVFPDLKYTFLWSYDLKYENAFKIFDSFLTEQLGDQWVSNTVVQKRAVSVKVLDACSSGGAVAVLSEVHPIGHVAIFHVVSLFQCFERGPPESPQILFHMQGQPELSPIRLCSADWLPSGIAYSSKVLQCSIIDTTHPECIVNDVIIGTGKFIQEERSTPLSYFSVGIIDNRIAVYLAKRGLTLLTFENDSEFKHLTRDCMIKRLGIRSEAENETLLVSARPFDRFHVAFLYFLNHNHENYQTALDGLAQLVVTRKQLVKLAYRMCGLILDTDEFVGTFSTGLDSDMPISAQLESKGKALEIFSEFLNGFAWRFKATNLHTYKLLVDACLALLEAAVILCSNEWQEIISEIIEMTMRSLLEMKSDTSSYRRQITDIFLQEVSNMRFFLRGFVCAESDMLEEFKNGERLLIWLTSTELINKLVVPFQTTLIGRAKEVLSEDQSLWEMRASVLTQYVNDLLQPQVQHALLGIQEMASCASKEKRADLSEALSPLLHRTIKSFLEVLKLAEELALSDPASDDLRSFQLENDSTVKDLLFQLLDVDMKDLCVQLAEKYDVFPVLAKICAQTSDIELFNRLLHGDKSQDFLDSVNDLCSRETTFGILHEYAIKHGRQKPEMQRCWHTDWLYYWVRQEYALCLRALLVAAENETESLERQRVALSQAQLVRRLITKPDEELDRRLKAAQFLVGCQVFLGNVQRSASETQEHSEKPLTPQGVVQKYMEIADDDDSFYSEALYTALRMVELGIFRETEQVIMDAWAKLVIATEWPTGADPAVSAMAMRGTLFARTLQAL
					

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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	34.8	Very low	44.9	Very low	105 Å²	105	69.6 Å²	69.6	52%	0.517	38%	0.377	S	S	.	.				0	108.6	0	-165.5	166.4	-175.6	0	0	108.2	F34 Y399	M1-F34 HydrophobicContact CE-CE2 3.43Å; M1-F34 VanDerWaalsContact CE-CE2 3.43Å; M1-F34 HydrophobicContact CE-CZ 3.64Å; M1-F34 HydrophobicContact SD-CE2 3.98Å; M1-Y399 WeakPolarHBondContact CE-OH 3.34Å
2	R	30.3	Very low	47.5	Very low	157 Å²	157	72.3 Å²	72.3	59%	0.592	40%	0.397	S	S	*	.			trans	-80.2	126.5	166.1	-78.1	-174.4	168.7	-179.6	-4.4	106.2	P5 K402	R2-P5 HydrophobicContact CB-CG 4.05Å; R2-P5 WeakPolarHBondContact O-CD 3.45Å; R2-P5 WeakPolarHBondContact O-CG 3.3Å; R2-K402 HydrophobicContact CB-CB 4.13Å
3	L	39.3	Very low	49.7	Very low	12 Å²	12	74.8 Å²	74.8	6%	0.063	40%	0.404	C	S	.	.	S	Bend	trans	-81.3	-31.6	-179.5	-74.8	166.4	0	0	0	112.5	P5 V10 W52	L3-P5 WeakPolarHBondContact O-CD 3.31Å; L3-V10 HydrophobicContact CB-CG2 3.8Å; L3-V10 HydrophobicContact CD1-CG2 4.15Å; L3-W52 HydrophobicContact CD1-CH2 4.44Å
4	D	34.5	Very low	51.7	Low	127 Å²	127	69.4 Å²	69.4	68%	0.679	38%	0.375	S	S	*	.	G	3₁₀ helix	trans	-37.8	-41	173.7	-63.3	-16.1	0	0	0	116.5	G7	D4-G7 PolarHBondContact O-N 3.24Å
5	P	32.4	Very low	53.3	Low	30 Å²	30	67.9 Å²	67.9	20%	0.195	38%	0.375	C	S	.	.	G	3₁₀ helix	trans	-100.4	-1	-157.6	36.3	-26.5	0	0	0	114	R2 L3 K402 R403	R2-P5 HydrophobicContact CB-CG 4.05Å; R2-P5 WeakPolarHBondContact O-CD 3.45Å; R2-P5 WeakPolarHBondContact O-CG 3.3Å; L3-P5 WeakPolarHBondContact O-CD 3.31Å; P5-K402 WeakPolarHBondContact CB-O 3.45Å; P5-K402 HydrophobicContact CG-CB 4.09Å; P5-K402 WeakPolarHBondContact CG-O 3.34Å; P5-R403 CarbonylContact C-O 3.39Å; P5-R403 HydrophobicContact CB-CB 3.92Å; P5-R403 HydrophobicContact CB-CG 3.84Å; P5-R403 HydrophobicContact CG-CB 4.44Å; P5-R403 WeakPolarHBondContact O-CA 3.41Å; P5-R403 VanDerWaalsContact O-CB 3.31Å; P5-R403 WeakPolarHBondContact O-CB 3.28Å
6	V	36.1	Very low	54.8	Low	46 Å²	46	70.7 Å²	70.7	28%	0.279	39%	0.385	S	S	.	.	G	3₁₀ helix	trans	-76.9	-7.3	160.5	-162.7	0	0	0	0	110.5	L8 R403	V6-L8 HydrophobicContact CB-CB 4.33Å; V6-L8 HydrophobicContact CB-CD1 3.71Å; V6-L8 HydrophobicContact CB-CG 3.69Å; V6-L8 HydrophobicContact CG1-CD1 3.59Å; V6-L8 HydrophobicContact CG1-CD2 4.4Å; V6-L8 HydrophobicContact CG1-CG 3.58Å; V6-L8 HydrophobicContact CG2-CD1 4.11Å; V6-L8 PolarHBondContact O-N 3.21Å; V6-R403 VanDerWaalsContact CA-O 3.25Å; V6-R403 WeakPolarHBondContact CA-O 3.26Å; V6-R403 WeakPolarHBondContact CG2-O 3.32Å; V6-R403 PolarHBondContact N-O 3.1Å
7	G	40.1	Very low	56	Low	66 Å²	66	67.5 Å²	67.5	68%	0.68	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.5	18.1	-170.8	0	0	0	0	0	113	D4	D4-G7 PolarHBondContact O-N 3.24Å
8	L	49.1	Very low	57	Low	53 Å²	53	66.9 Å²	66.9	28%	0.277	37%	0.365	S	S	.	.			trans	-74	127.2	177.1	-73.7	169.9	0	0	0	109.2	V6 V10 I41 L54	V6-L8 HydrophobicContact CB-CB 4.33Å; V6-L8 HydrophobicContact CB-CD1 3.71Å; V6-L8 HydrophobicContact CB-CG 3.69Å; V6-L8 HydrophobicContact CG1-CD1 3.59Å; V6-L8 HydrophobicContact CG1-CD2 4.4Å; V6-L8 HydrophobicContact CG1-CG 3.58Å; V6-L8 HydrophobicContact CG2-CD1 4.11Å; V6-L8 PolarHBondContact O-N 3.21Å; L8-V10 PolarHBondContact O-N 3.45Å; L8-I41 HydrophobicContact CD1-CD1 4.43Å; L8-L54 HydrophobicContact CD1-CD2 3.96Å; L8-L54 HydrophobicContact CD2-CD2 3.55Å; L8-L54 HydrophobicContact CG-CD2 4.24Å
9	E	55.4	Low	57.8	Low	124 Å²	124	65.5 Å²	65.5	58%	0.579	36%	0.363	S	S	*	.			trans	-62.2	111.4	172.8	-71.7	-179	169.9	0	0	109.6	A57	E9-A57 HydrophobicContact CB-CB 4.27Å
10	V	67	Low	58.5	Low	35 Å²	35	66.6 Å²	66.6	21%	0.212	37%	0.368	C	S	.	.			trans	-84.3	126.9	174.5	177.6	0	0	0	0	107.6	L3 L8 V12 V14 A15	L3-V10 HydrophobicContact CB-CG2 3.8Å; L3-V10 HydrophobicContact CD1-CG2 4.15Å; L8-V10 PolarHBondContact O-N 3.45Å; V10-V12 PolarHBondContact O-N 3.17Å; V10-V14 HydrophobicContact CG1-CB 3.59Å; V10-V14 HydrophobicContact CG1-CG1 3.55Å; V10-A15 HydrophobicContact CG1-CB 4.4Å
11	P	74.5	Confident	59	Low	11 Å²	11	64 Å²	64	7%	0.071	36%	0.355	C	S	.	.			trans	-55.4	142.3	176.2	-25.6	33.2	0	0	0	111.8	H13 V14 A15 W52 C61	P11-H13 PolarHBondContact O-N 2.97Å; P11-H13 VanDerWaalsContact O-N 3.07Å; P11-V14 WeakPolarHBondContact O-CB 3.34Å; P11-V14 PolarHBondContact O-N 3.18Å; P11-A15 PolarHBondContact O-N 3.33Å; P11-A15 VanDerWaalsContact O-N 3.13Å; P11-W52 HydrophobicContact CG-CB 4.08Å; P11-W52 HydrophobicContact CG-CD2 3.63Å; P11-W52 HydrophobicContact CG-CE3 4.12Å; P11-W52 HydrophobicContact CG-CG 3.6Å; P11-C61 HydrophobicContact CB-CB 3.66Å; P11-C61 HydrophobicContact CG-CB 3.89Å
12	V	76.3	Confident	60.5	Low	102 Å²	102	66.7 Å²	66.7	62%	0.618	37%	0.366	S	S	*	.	H	α-helix	trans	-49.9	-42	-175.1	-179.4	0	0	0	0	112.4	V10 V14 A15 E16	V10-V12 PolarHBondContact O-N 3.17Å; V12-V14 VanDerWaalsContact C-N 3.29Å; V12-V14 PolarHBondContact O-N 3.11Å; V12-A15 PolarHBondContact O-N 3.43Å; V12-E16 HydrophobicContact CG1-CG 4.35Å; V12-E16 WeakPolarHBondContact O-CG 3.44Å; V12-E16 PolarHBondContact O-N 3.29Å
13	H	76.8	Confident	62.2	Low	104 Å²	104	67 Å²	67	48%	0.481	37%	0.372	S	S	.	.	H	α-helix	trans	-60.9	-34	178.6	-63.7	-38.1	0	0	0	114.2	P11 C17 Y50	P11-H13 PolarHBondContact O-N 2.97Å; P11-H13 VanDerWaalsContact O-N 3.07Å; H13-C17 WeakPolarHBondContact O-CB 3.5Å; H13-C17 PolarHBondContact O-N 2.87Å; H13-Y50 HydrophobicContact CB-CD1 4.4Å; H13-Y50 HydrophobicContact CB-CE1 4.2Å
14	V	77.3	Confident	63.3	Low	0 Å²	0	72.9 Å²	72.9	0%	0	40%	0.399	C	S	.	.	H	α-helix	trans	-77.7	-41.4	177.9	177.2	0	0	0	0	109.8	V10 P11 V12 E16 C17 L18 F43 Y50 W52	V10-V14 HydrophobicContact CG1-CB 3.59Å; V10-V14 HydrophobicContact CG1-CG1 3.55Å; P11-V14 WeakPolarHBondContact O-CB 3.34Å; P11-V14 PolarHBondContact O-N 3.18Å; V12-V14 VanDerWaalsContact C-N 3.29Å; V12-V14 PolarHBondContact O-N 3.11Å; V14-E16 PolarHBondContact O-N 3.49Å; V14-C17 WeakPolarHBondContact O-CB 3.17Å; V14-C17 PolarHBondContact O-N 3.44Å; V14-L18 HydrophobicContact CG1-CD1 4.16Å; V14-L18 WeakPolarHBondContact O-CG 3.31Å; V14-L18 PolarHBondContact O-N 3.23Å; V14-F43 HydrophobicContact CG1-CD1 3.78Å; V14-F43 HydrophobicContact CG1-CD2 4.29Å; V14-F43 HydrophobicContact CG1-CE1 3.94Å; V14-F43 HydrophobicContact CG1-CE2 4.4Å; V14-F43 HydrophobicContact CG1-CG 3.98Å; V14-F43 HydrophobicContact CG1-CZ 4.26Å; V14-F43 HydrophobicContact CG2-CD1 4.36Å; V14-Y50 HydrophobicContact CG2-CD1 4.23Å; V14-Y50 HydrophobicContact CG2-CG 3.99Å; V14-W52 HydrophobicContact CG1-CH2 4.33Å; V14-W52 HydrophobicContact CG2-CE3 4.27Å; V14-W52 HydrophobicContact CG2-CH2 4.26Å; V14-W52 HydrophobicContact CG2-CZ3 3.75Å
15	A	75.3	Confident	64.3	Low	46 Å²	46	75.5 Å²	75.5	38%	0.38	40%	0.404	S	S	.	.	H	α-helix	trans	-60.1	-44.5	175	0	0	0	0	0	112.1	V10 P11 V12 C17 L18 A19	V10-A15 HydrophobicContact CG1-CB 4.4Å; P11-A15 PolarHBondContact O-N 3.33Å; P11-A15 VanDerWaalsContact O-N 3.13Å; V12-A15 PolarHBondContact O-N 3.43Å; A15-C17 PolarHBondContact O-N 3.5Å; A15-L18 PolarHBondContact O-N 3.17Å; A15-A19 WeakPolarHBondContact O-CB 3.46Å; A15-A19 PolarHBondContact O-N 3.01Å
16	E	77.3	Confident	65.2	Low	113 Å²	113	76.6 Å²	76.6	53%	0.528	41%	0.412	S	S	.	.	H	α-helix	trans	-61.9	-41.6	173.9	-75.6	-177.5	166.6	0	0	112.4	V12 V14 A19 N20	V12-E16 HydrophobicContact CG1-CG 4.35Å; V12-E16 WeakPolarHBondContact O-CG 3.44Å; V12-E16 PolarHBondContact O-N 3.29Å; V14-E16 PolarHBondContact O-N 3.49Å; E16-A19 PolarHBondContact O-N 3.39Å; E16-N20 WeakPolarHBondContact O-CB 3.47Å; E16-N20 PolarHBondContact O-N 3.41Å; E16-N20 PolarHBondContact O-ND2 3.24Å
17	C	75.7	Confident	65.9	Low	17 Å²	17	85.1 Å²	85.1	12%	0.115	44%	0.441	C	S	.	.	H	α-helix	trans	-61.2	-45.8	177.3	-170	0	0	0	0	111.3	H13 V14 A15 N20 C21 C45	H13-C17 WeakPolarHBondContact O-CB 3.5Å; H13-C17 PolarHBondContact O-N 2.87Å; V14-C17 WeakPolarHBondContact O-CB 3.17Å; V14-C17 PolarHBondContact O-N 3.44Å; A15-C17 PolarHBondContact O-N 3.5Å; C17-N20 PolarHBondContact O-N 2.96Å; C17-C21 PolarHBondContact O-N 3.1Å; C17-C21 PolarHBondContact O-SG 3.32Å; C17-C45 VanDerWaalsContact SG-CB 3.59Å; C17-C45 PolarHBondContact SG-SG 2.85Å
18	L	73.9	Confident	66.4	Low	56 Å²	56	82.8 Å²	82.8	29%	0.293	42%	0.415	S	S	.	.	H	α-helix	trans	-62.2	-46.2	176.5	-72.6	169.4	0	0	0	111.8	V14 A15 N20 C21 E22 I30 F43	V14-L18 HydrophobicContact CG1-CD1 4.16Å; V14-L18 WeakPolarHBondContact O-CG 3.31Å; V14-L18 PolarHBondContact O-N 3.23Å; A15-L18 PolarHBondContact O-N 3.17Å; L18-N20 VanDerWaalsContact C-N 3.29Å; L18-N20 PolarHBondContact O-N 3.4Å; L18-C21 PolarHBondContact O-N 3.33Å; L18-E22 PolarHBondContact O-N 3.27Å; L18-I30 HydrophobicContact CD2-CD1 4.11Å; L18-F43 HydrophobicContact CD2-CE2 3.9Å; L18-F43 HydrophobicContact CD2-CZ 3.62Å; L18-F43 HydrophobicContact CG-CE2 4.42Å; L18-F43 HydrophobicContact CG-CZ 3.97Å
19	A	71.4	Confident	67.1	Low	40 Å²	40	81.9 Å²	81.9	33%	0.331	42%	0.415	S	S	.	.	H	α-helix	trans	-61	-36.5	177	0	0	0	0	0	112.5	A15 E16 K23	A15-A19 WeakPolarHBondContact O-CB 3.46Å; A15-A19 PolarHBondContact O-N 3.01Å; E16-A19 PolarHBondContact O-N 3.39Å; A19-K23 VanDerWaalsContact O-CG 3.31Å; A19-K23 WeakPolarHBondContact O-CG 3.45Å; A19-K23 PolarHBondContact O-N 3.21Å; A19-K23 VanDerWaalsContact O-N 3.14Å
20	N	72.3	Confident	67.8	Low	88 Å²	88	79.6 Å²	79.6	47%	0.471	41%	0.406	S	S	.	.	H	α-helix	trans	-69.7	-39.3	175.4	-77.1	-21.5	0	0	0	112.7	E16 C17 L18 E22 K23 Q24	E16-N20 WeakPolarHBondContact O-CB 3.47Å; E16-N20 PolarHBondContact O-N 3.41Å; E16-N20 PolarHBondContact O-ND2 3.24Å; C17-N20 PolarHBondContact O-N 2.96Å; L18-N20 VanDerWaalsContact C-N 3.29Å; L18-N20 PolarHBondContact O-N 3.4Å; N20-E22 VanDerWaalsContact C-N 3.33Å; N20-K23 PolarHBondContact O-N 3.01Å; N20-Q24 WeakPolarHBondContact O-CG 3.38Å; N20-Q24 PolarHBondContact O-N 2.9Å; N20-Q24 VanDerWaalsContact O-N 3.11Å
21	C	70.3	Confident	68	Low	13 Å²	13	78.6 Å²	78.6	9%	0.088	40%	0.4	C	S	.	.	H	α-helix	trans	-62.4	-42.5	175.3	-65.2	0	0	0	0	111.4	C17 L18 K23 Q24 K25 I30 C45	C17-C21 PolarHBondContact O-N 3.1Å; C17-C21 PolarHBondContact O-SG 3.32Å; L18-C21 PolarHBondContact O-N 3.33Å; C21-K23 PolarHBondContact O-N 3.21Å; C21-Q24 PolarHBondContact O-N 2.94Å; C21-K25 PolarHBondContact O-N 3.22Å; C21-I30 HydrophobicContact CB-CD1 4.31Å; C21-C45 PolarHBondContact SG-SG 2.88Å
22	E	65.8	Low	67.7	Low	161 Å²	161	79.9 Å²	79.9	75%	0.752	41%	0.409	S	S	*	.	H	α-helix	trans	-61.7	-43.5	177	-170.5	172.5	-160.5	0	0	111.8	L18 N20 Q24 K25	L18-E22 PolarHBondContact O-N 3.27Å; N20-E22 VanDerWaalsContact C-N 3.33Å; E22-Q24 VanDerWaalsContact C-N 3.35Å; E22-Q24 PolarHBondContact O-N 3.39Å; E22-K25 PolarHBondContact O-N 3Å
23	K	65.2	Low	67.3	Low	164 Å²	164	77.6 Å²	77.6	71%	0.713	39%	0.389	S	S	*	.	H	α-helix	trans	-62.4	-37.6	176.5	-73.9	172.7	-173.7	173.8	0	113.4	A19 N20 C21	A19-K23 VanDerWaalsContact O-CG 3.31Å; A19-K23 WeakPolarHBondContact O-CG 3.45Å; A19-K23 PolarHBondContact O-N 3.21Å; A19-K23 VanDerWaalsContact O-N 3.14Å; N20-K23 PolarHBondContact O-N 3.01Å; C21-K23 PolarHBondContact O-N 3.21Å
24	Q	63.2	Low	66.9	Low	135 Å²	135	76.3 Å²	76.3	63%	0.631	38%	0.382	S	S	*	.	H	α-helix	trans	-80.2	-13.5	-175	-73	-177.9	-10.7	0	0	113.8	N20 C21 E22 S26	N20-Q24 WeakPolarHBondContact O-CG 3.38Å; N20-Q24 PolarHBondContact O-N 2.9Å; N20-Q24 VanDerWaalsContact O-N 3.11Å; C21-Q24 PolarHBondContact O-N 2.94Å; E22-Q24 VanDerWaalsContact C-N 3.35Å; E22-Q24 PolarHBondContact O-N 3.39Å; Q24-S26 WeakPolarHBondContact CB-OG 3.49Å; Q24-S26 PolarHBondContact O-N 3.32Å
25	K	54.8	Low	66	Low	182 Å²	182	77 Å²	77	79%	0.791	39%	0.385	S	S	*	.			trans	50.8	5.8	-171.5	-68.2	-172.6	177.9	-177.6	0	115	C21 E22 Y27	C21-K25 PolarHBondContact O-N 3.22Å; E22-K25 PolarHBondContact O-N 3Å; K25-Y27 PolarHBondContact O-N 3.27Å
26	S	51.2	Low	65.1	Low	52 Å²	52	76.4 Å²	76.4	36%	0.364	38%	0.376	S	S	.	.			trans	-79.5	103.6	164	54.8	0	0	0	0	105.9	Q24 S28	Q24-S26 WeakPolarHBondContact CB-OG 3.49Å; Q24-S26 PolarHBondContact O-N 3.32Å; S26-S28 PolarHBondContact O-N 3.15Å
27	Y	50.8	Low	63.8	Low	225 Å²	225	77.7 Å²	77.7	88%	0.882	39%	0.386	S	S	*	.			trans	-66.5	73.4	163.9	-59.8	-82.8	0	0	0	107.7	K25 A29	K25-Y27 PolarHBondContact O-N 3.27Å; Y27-A29 PolarHBondContact O-N 3.42Å
28	S	51.8	Low	62.9	Low	18 Å²	18	78.1 Å²	78.1	13%	0.126	39%	0.393	C	S	.	.			trans	-54.8	133.3	163.2	51.2	0	0	0	0	106.6	S26 I30 N46	S26-S28 PolarHBondContact O-N 3.15Å; S28-I30 WeakPolarHBondContact O-CG1 3.43Å; S28-I30 PolarHBondContact O-N 3.45Å; S28-N46 WeakPolarHBondContact CB-OD1 3.31Å
29	A	62.6	Low	62.2	Low	34 Å²	34	77.8 Å²	77.8	28%	0.281	39%	0.392	S	S	.	.			trans	-57.1	103.5	-179.8	0	0	0	0	0	110.2	Y27 I72	Y27-A29 PolarHBondContact O-N 3.42Å; A29-I72 HydrophobicContact CB-CB 4.03Å; A29-I72 HydrophobicContact CB-CD1 3.98Å; A29-I72 HydrophobicContact CB-CG1 3.85Å; A29-I72 HydrophobicContact CB-CG2 3.06Å
30	I	70.5	Confident	62	Low	76 Å²	76	76.9 Å²	76.9	39%	0.39	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	133.6	173.8	-68.7	157.8	0	0	0	106.2	L18 C21 S28 F43 V44 C45	L18-I30 HydrophobicContact CD2-CD1 4.11Å; C21-I30 HydrophobicContact CB-CD1 4.31Å; S28-I30 WeakPolarHBondContact O-CG1 3.43Å; S28-I30 PolarHBondContact O-N 3.45Å; I30-F43 HydrophobicContact CG1-CZ 4.41Å; I30-F43 HydrophobicContact CG2-CD2 4.12Å; I30-F43 HydrophobicContact CG2-CE2 3.23Å; I30-F43 HydrophobicContact CG2-CZ 3.66Å; I30-V44 WeakPolarHBondContact CA-O 3.29Å; I30-C45 HydrophobicContact CG1-CB 4.36Å
31	S	70.2	Confident	62	Low	13 Å²	13	72.8 Å²	72.8	9%	0.091	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	149.2	173	57.8	0	0	0	0	110.1	V44 H74 A75	S31-V44 PolarHBondContact N-O 3.32Å; S31-V44 PolarHBondContact O-N 2.92Å; S31-H74 VanDerWaalsContact OG-CA 3.29Å; S31-H74 WeakPolarHBondContact OG-CA 3.23Å; S31-A75 PolarHBondContact OG-N 3.4Å
32	C	69.6	Low	62.3	Low	39 Å²	39	72.2 Å²	72.2	26%	0.264	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	150.3	179.1	61.2	0	0	0	0	110.4	S42 F43	C32-S42 CarbonylContact C-O 3.56Å; C32-S42 WeakPolarHBondContact CA-O 3.35Å; C32-S42 WeakPolarHBondContact CB-O 3.39Å; C32-F43 HydrophobicContact CB-CD2 4.44Å
33	R	68.3	Low	63.1	Low	54 Å²	54	64.7 Å²	64.7	20%	0.204	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	139.3	178.5	179.1	170.7	-176.7	-168.8	8.5	111	F35 S42 A75 D76 L131	R33-F35 HydrophobicContact CB-CE2 4.33Å; R33-F35 HydrophobicContact CB-CZ 4.1Å; R33-F35 VanDerWaalsContact CD-CE1 3.44Å; R33-F35 HydrophobicContact CG-CD1 4.38Å; R33-F35 HydrophobicContact CG-CE1 3.86Å; R33-F35 HydrophobicContact CG-CE2 4.27Å; R33-F35 HydrophobicContact CG-CZ 3.77Å; R33-S42 PolarHBondContact N-O 3.03Å; R33-S42 PolarHBondContact O-N 2.97Å; R33-S42 PolarHBondContact O-OG 2.68Å; R33-A75 HydrophobicContact CB-CB 3.69Å; R33-D76 WeakPolarHBondContact CD-OD1 3.39Å; R33-D76 IonicContact NE-OD1 3.47Å; R33-D76 PolarHBondContact NH1-O 3.46Å; R33-L131 PolarHBondContact NH1-O 3.43Å; R33-L131 PolarHBondContact NH2-O 3.44Å
34	F	66.9	Low	64	Low	77 Å²	77	57 Å²	57	34%	0.338	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	141.6	168.7	-63.7	-94.2	0	0	0	110.4	M1 W40 I41 L54	M1-F34 HydrophobicContact CE-CE2 3.43Å; M1-F34 VanDerWaalsContact CE-CE2 3.43Å; M1-F34 HydrophobicContact CE-CZ 3.64Å; M1-F34 HydrophobicContact SD-CE2 3.98Å; F34-W40 CarbonylContact C-O 3.41Å; F34-W40 WeakPolarHBondContact CA-O 3.4Å; F34-I41 HydrophobicContact CD1-CD1 4.34Å; F34-I41 HydrophobicContact CD1-CG1 3.73Å; F34-I41 HydrophobicContact CE1-CD1 3.65Å; F34-I41 HydrophobicContact CE1-CG1 3.55Å; F34-I41 HydrophobicContact CZ-CD1 4.2Å; F34-I41 HydrophobicContact CZ-CG1 4.34Å; F34-L54 HydrophobicContact CE1-CD1 4.38Å
35	F	59.3	Low	64.9	Low	14 Å²	14	50.6 Å²	50.6	6%	0.061	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	164.8	175.8	-63.9	-71.2	0	0	0	111	R33 N37 G38 D39 W40 S42 L78 L79 V80	R33-F35 HydrophobicContact CB-CE2 4.33Å; R33-F35 HydrophobicContact CB-CZ 4.1Å; R33-F35 VanDerWaalsContact CD-CE1 3.44Å; R33-F35 HydrophobicContact CG-CD1 4.38Å; R33-F35 HydrophobicContact CG-CE1 3.86Å; R33-F35 HydrophobicContact CG-CE2 4.27Å; R33-F35 HydrophobicContact CG-CZ 3.77Å; F35-N37 PolarHBondContact O-N 3.21Å; F35-G38 PolarHBondContact O-N 3Å; F35-G38 VanDerWaalsContact O-N 3.12Å; F35-D39 PolarHBondContact O-N 2.91Å; F35-W40 HydrophobicContact CB-CB 4.26Å; F35-W40 PolarHBondContact N-O 2.66Å; F35-W40 PolarHBondContact O-N 3.02Å; F35-S42 VanDerWaalsContact CE2-CB 3.47Å; F35-S42 WeakPolarHBondContact CE2-OG 3.11Å; F35-L78 WeakPolarHBondContact CE1-O 3.31Å; F35-L78 HydrophobicContact CE2-CD2 3.76Å; F35-L78 HydrophobicContact CZ-CD2 4.17Å; F35-L78 WeakPolarHBondContact CZ-O 3.34Å; F35-L79 HydrophobicContact CD1-CD2 4.15Å; F35-L79 HydrophobicContact CE1-CD2 3.81Å; F35-V80 HydrophobicContact CD2-CB 4.46Å; F35-V80 HydrophobicContact CD2-CG2 3.99Å; F35-V80 HydrophobicContact CE2-CG2 4.28Å
36	N	55.3	Low	66	Low	34 Å²	34	46 Å²	46	18%	0.182	24%	0.24	C	C	.	.	G	3₁₀ helix	trans	51.2	60.3	170	-59.9	-34.3	0	0	0	112.4	G38 D39 V80	N36-G38 PolarHBondContact O-N 2.74Å; N36-G38 VanDerWaalsContact O-N 3.12Å; N36-D39 PolarHBondContact O-N 3.26Å; N36-V80 PolarHBondContact ND2-O 3.29Å
37	N	51.6	Low	67.4	Low	140 Å²	140	50.7 Å²	50.7	75%	0.749	25%	0.25	S	C	*	.	G	3₁₀ helix	trans	62.1	19	178.1	-53.8	5.1	0	0	0	114.5	F35	F35-N37 PolarHBondContact O-N 3.21Å
38	G	55.6	Low	69.2	Low	25 Å²	25	42.9 Å²	42.9	26%	0.258	22%	0.222	S	C	.	.	G	3₁₀ helix	trans	103.7	-11.6	175	0	0	0	0	0	114.7	F35 N36 W40 L54	F35-G38 PolarHBondContact O-N 3Å; F35-G38 VanDerWaalsContact O-N 3.12Å; N36-G38 PolarHBondContact O-N 2.74Å; N36-G38 VanDerWaalsContact O-N 3.12Å; G38-W40 VanDerWaalsContact C-N 3.32Å; G38-W40 PolarHBondContact O-N 3.15Å; G38-L54 WeakPolarHBondContact O-CD1 3.4Å
39	D	58.9	Low	71	Confident	49 Å²	49	42 Å²	42	26%	0.262	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-27.8	-174.5	-73.9	-35.6	0	0	0	113.7	F35 N36 N53 L54 R55	F35-D39 PolarHBondContact O-N 2.91Å; N36-D39 PolarHBondContact O-N 3.26Å; D39-N53 CarbonylContact O-C 3.39Å; D39-N53 WeakPolarHBondContact O-CA 3.49Å; D39-N53 PolarHBondContact O-OD1 2.67Å; D39-L54 PolarHBondContact O-N 3.03Å; D39-R55 IonicContact OD1-CZ 3.34Å; D39-R55 IonicContact OD1-NE 3.06Å; D39-R55 PolarHBondContact OD1-NE 3Å; D39-R55 IonicContact OD1-NH2 2.83Å; D39-R55 PolarHBondContact OD1-NH2 3.21Å; D39-R55 IonicContact OD2-CZ 3.94Å; D39-R55 IonicContact OD2-NH2 3.32Å; D39-R55 PolarHBondContact OD2-NH2 3.25Å
40	W	68	Low	72.1	Confident	22 Å²	22	42 Å²	42	8%	0.083	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	134.4	-178.1	-72.8	79.1	0	0	0	111.3	F34 F35 G38 F51 W52 N53 Y62 V80 P93	F34-W40 CarbonylContact C-O 3.41Å; F34-W40 WeakPolarHBondContact CA-O 3.4Å; F35-W40 HydrophobicContact CB-CB 4.26Å; F35-W40 PolarHBondContact N-O 2.66Å; F35-W40 PolarHBondContact O-N 3.02Å; G38-W40 VanDerWaalsContact C-N 3.32Å; G38-W40 PolarHBondContact O-N 3.15Å; W40-F51 HydrophobicContact CE3-CD2 4.04Å; W40-F51 AromaticContact CZ3-CD2 3.94Å; W40-F51 HydrophobicContact CZ3-CD2 3.94Å; W40-F51 HydrophobicContact CZ3-CE2 4.43Å; W40-W52 WeakPolarHBondContact CA-O 3.22Å; W40-W52 VanDerWaalsContact CE3-C 3.43Å; W40-N53 HydrophobicContact CD2-CB 4.21Å; W40-N53 HydrophobicContact CE3-CB 4.29Å; W40-N53 HydrophobicContact CH2-CB 4.09Å; W40-N53 HydrophobicContact CZ2-CB 3.99Å; W40-N53 HydrophobicContact CZ3-CB 4.24Å; W40-Y62 HydrophobicContact CH2-CE2 4.43Å; W40-Y62 HydrophobicContact CZ3-CD2 4.46Å; W40-Y62 HydrophobicContact CZ3-CE2 4.47Å; W40-V80 HydrophobicContact CD2-CG1 4.01Å; W40-V80 HydrophobicContact CE3-CG1 3.9Å; W40-V80 HydrophobicContact CG-CG1 4.42Å; W40-V80 HydrophobicContact CZ3-CG1 4.37Å; W40-P93 HydrophobicContact CH2-CB 4.09Å; W40-P93 HydrophobicContact CH2-CG 3.64Å; W40-P93 HydrophobicContact CZ2-CB 4.44Å; W40-P93 HydrophobicContact CZ2-CG 4.43Å; W40-P93 HydrophobicContact CZ3-CG 3.97Å
41	I	72.5	Confident	72.9	Confident	2 Å²	2	38.4 Å²	38.4	1%	0.01	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	135.5	171.5	-60.7	178.8	0	0	0	108.5	L8 F34 F51 W52 L54	L8-I41 HydrophobicContact CD1-CD1 4.43Å; F34-I41 HydrophobicContact CD1-CD1 4.34Å; F34-I41 HydrophobicContact CD1-CG1 3.73Å; F34-I41 HydrophobicContact CE1-CD1 3.65Å; F34-I41 HydrophobicContact CE1-CG1 3.55Å; F34-I41 HydrophobicContact CZ-CD1 4.2Å; F34-I41 HydrophobicContact CZ-CG1 4.34Å; I41-F51 CarbonylContact O-C 3.51Å; I41-F51 WeakPolarHBondContact O-CA 3.44Å; I41-F51 WeakPolarHBondContact O-CB 3.27Å; I41-W52 HydrophobicContact CB-CD2 4.19Å; I41-W52 HydrophobicContact CB-CE3 4.42Å; I41-W52 HydrophobicContact CB-CH2 4.04Å; I41-W52 HydrophobicContact CB-CZ2 3.79Å; I41-W52 HydrophobicContact CB-CZ3 4.34Å; I41-W52 HydrophobicContact CD1-CZ2 3.83Å; I41-W52 HydrophobicContact CG1-CZ2 4.4Å; I41-W52 HydrophobicContact CG2-CE3 4.48Å; I41-W52 HydrophobicContact CG2-CH2 3.45Å; I41-W52 VanDerWaalsContact CG2-CH2 3.45Å; I41-W52 HydrophobicContact CG2-CZ2 3.6Å; I41-W52 HydrophobicContact CG2-CZ3 3.92Å; I41-W52 PolarHBondContact N-O 3.32Å; I41-W52 PolarHBondContact O-N 3.4Å; I41-L54 HydrophobicContact CD1-CD1 4.39Å; I41-L54 HydrophobicContact CD1-CD2 3.36Å; I41-L54 HydrophobicContact CD1-CG 3.89Å; I41-L54 HydrophobicContact CG1-CD2 4.08Å; I41-L54 HydrophobicContact CG1-CG 4.05Å
42	S	77.3	Confident	73.4	Confident	0 Å²	0	37.9 Å²	37.9	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	145.2	161.8	64.8	0	0	0	0	111.1	C32 R33 F35 Y50	C32-S42 CarbonylContact C-O 3.56Å; C32-S42 WeakPolarHBondContact CA-O 3.35Å; C32-S42 WeakPolarHBondContact CB-O 3.39Å; R33-S42 PolarHBondContact N-O 3.03Å; R33-S42 PolarHBondContact O-N 2.97Å; R33-S42 PolarHBondContact O-OG 2.68Å; F35-S42 VanDerWaalsContact CE2-CB 3.47Å; F35-S42 WeakPolarHBondContact CE2-OG 3.11Å; S42-Y50 CarbonylContact C-O 3.58Å; S42-Y50 WeakPolarHBondContact CA-O 3.32Å
43	F	82.4	Confident	73.6	Confident	4 Å²	4	37.1 Å²	37.1	2%	0.018	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	120.1	-179.6	176.3	-98.2	0	0	0	108.1	V14 L18 I30 C32 C45 T49 Y50 W52	V14-F43 HydrophobicContact CG1-CD1 3.78Å; V14-F43 HydrophobicContact CG1-CD2 4.29Å; V14-F43 HydrophobicContact CG1-CE1 3.94Å; V14-F43 HydrophobicContact CG1-CE2 4.4Å; V14-F43 HydrophobicContact CG1-CG 3.98Å; V14-F43 HydrophobicContact CG1-CZ 4.26Å; V14-F43 HydrophobicContact CG2-CD1 4.36Å; L18-F43 HydrophobicContact CD2-CE2 3.9Å; L18-F43 HydrophobicContact CD2-CZ 3.62Å; L18-F43 HydrophobicContact CG-CE2 4.42Å; L18-F43 HydrophobicContact CG-CZ 3.97Å; I30-F43 HydrophobicContact CG1-CZ 4.41Å; I30-F43 HydrophobicContact CG2-CD2 4.12Å; I30-F43 HydrophobicContact CG2-CE2 3.23Å; I30-F43 HydrophobicContact CG2-CZ 3.66Å; C32-F43 HydrophobicContact CB-CD2 4.44Å; F43-C45 HydrophobicContact CD1-CB 4.32Å; F43-C45 HydrophobicContact CE1-CB 3.49Å; F43-C45 VanDerWaalsContact CE1-CB 3.49Å; F43-C45 HydrophobicContact CZ-CB 3.91Å; F43-T49 CarbonylContact O-C 3.6Å; F43-T49 WeakPolarHBondContact O-CA 3.35Å; F43-Y50 AromaticContact CD1-CD2 3.72Å; F43-Y50 HydrophobicContact CD1-CD2 3.72Å; F43-Y50 HydrophobicContact CD1-CE2 4.47Å; F43-Y50 HydrophobicContact CD1-CG 4.35Å; F43-Y50 HydrophobicContact CE1-CD2 4.3Å; F43-Y50 PolarHBondContact N-O 3.47Å; F43-Y50 PolarHBondContact O-N 3.42Å; F43-W52 HydrophobicContact CB-CH2 4.15Å; F43-W52 HydrophobicContact CB-CZ3 3.78Å
44	V	82.5	Confident	73.3	Confident	2 Å²	2	37 Å²	37	1%	0.012	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	128.2	176	174.7	0	0	0	0	108	I30 S31 L66 A75	I30-V44 WeakPolarHBondContact CA-O 3.29Å; S31-V44 PolarHBondContact N-O 3.32Å; S31-V44 PolarHBondContact O-N 2.92Å; V44-L66 HydrophobicContact CG1-CD1 3.69Å; V44-A75 HydrophobicContact CG2-CB 4.15Å
45	C	82.3	Confident	73.2	Confident	1 Å²	1	42.4 Å²	42.4	1%	0.007	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	127.8	171.7	-179.1	0	0	0	0	109.2	C17 C21 I30 F43 R47 M48	C17-C45 VanDerWaalsContact SG-CB 3.59Å; C17-C45 PolarHBondContact SG-SG 2.85Å; C21-C45 PolarHBondContact SG-SG 2.88Å; I30-C45 HydrophobicContact CG1-CB 4.36Å; F43-C45 HydrophobicContact CD1-CB 4.32Å; F43-C45 HydrophobicContact CE1-CB 3.49Å; F43-C45 VanDerWaalsContact CE1-CB 3.49Å; F43-C45 HydrophobicContact CZ-CB 3.91Å; C45-R47 PolarHBondContact O-N 2.75Å; C45-M48 PolarHBondContact N-O 3.5Å; C45-M48 PolarHBondContact O-N 3.43Å; C45-M48 VanDerWaalsContact O-O 3.1Å
46	N	77.7	Confident	73.4	Confident	86 Å²	86	46.4 Å²	46.4	46%	0.46	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.5	-109	-176.2	-69.1	-58	0	0	0	112.2	S28	S28-N46 WeakPolarHBondContact CB-OD1 3.31Å
47	R	82.4	Confident	73.4	Confident	150 Å²	150	45.3 Å²	45.3	57%	0.566	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-118.6	18.6	-179.3	-63.9	-176.2	178.2	179.2	-2	112.3	C45 L66	C45-R47 PolarHBondContact O-N 2.75Å; R47-L66 WeakPolarHBondContact O-CB 3.37Å; R47-L66 PolarHBondContact O-N 2.65Å
48	M	87.3	Confident	73.6	Confident	61 Å²	61	46.6 Å²	46.6	30%	0.3	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	139.6	178.7	-65.8	-60.1	-65.2	0	0	109.2	C45 Y50 P65	C45-M48 PolarHBondContact N-O 3.5Å; C45-M48 PolarHBondContact O-N 3.43Å; C45-M48 VanDerWaalsContact O-O 3.1Å; M48-Y50 HydrophobicContact CB-CD2 4.43Å; M48-Y50 HydrophobicContact CB-CE2 3.62Å; M48-P65 HydrophobicContact SD-CB 4.15Å
49	T	89.6	Confident	73.8	Confident	0 Å²	0	50.7 Å²	50.7	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	140.6	166.2	-173.1	0	0	0	0	109.6	F43 S63 L64 L66 L78	F43-T49 CarbonylContact O-C 3.6Å; F43-T49 WeakPolarHBondContact O-CA 3.35Å; T49-S63 WeakPolarHBondContact O-CA 3.25Å; T49-L64 HydrophobicContact CG2-CB 3.79Å; T49-L64 WeakPolarHBondContact CG2-O 3.45Å; T49-L64 PolarHBondContact N-O 3.32Å; T49-L64 PolarHBondContact O-N 3.29Å; T49-L66 HydrophobicContact CG2-CD2 3.87Å; T49-L66 HydrophobicContact CG2-CG 4.48Å; T49-L78 HydrophobicContact CG2-CD1 3.55Å; T49-L78 WeakPolarHBondContact OG1-CD1 3.39Å
50	Y	87	Confident	74.4	Confident	33 Å²	33	50.4 Å²	50.4	13%	0.129	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	136.3	175.9	-56.9	-94.9	0	0	0	107.3	H13 V14 S42 F43 M48 Y62	H13-Y50 HydrophobicContact CB-CD1 4.4Å; H13-Y50 HydrophobicContact CB-CE1 4.2Å; V14-Y50 HydrophobicContact CG2-CD1 4.23Å; V14-Y50 HydrophobicContact CG2-CG 3.99Å; S42-Y50 CarbonylContact C-O 3.58Å; S42-Y50 WeakPolarHBondContact CA-O 3.32Å; F43-Y50 AromaticContact CD1-CD2 3.72Å; F43-Y50 HydrophobicContact CD1-CD2 3.72Å; F43-Y50 HydrophobicContact CD1-CE2 4.47Å; F43-Y50 HydrophobicContact CD1-CG 4.35Å; F43-Y50 HydrophobicContact CE1-CD2 4.3Å; F43-Y50 PolarHBondContact N-O 3.47Å; F43-Y50 PolarHBondContact O-N 3.42Å; M48-Y50 HydrophobicContact CB-CD2 4.43Å; M48-Y50 HydrophobicContact CB-CE2 3.62Å; Y50-Y62 CarbonylContact C-O 3.42Å; Y50-Y62 VanDerWaalsContact CA-O 3.25Å; Y50-Y62 WeakPolarHBondContact CA-O 3.43Å
51	F	87.2	Confident	75.1	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148	144.5	170.8	57.9	-84.6	0	0	0	111.2	W40 I41 Y62 L64 V80 P93 C95 A110	W40-F51 HydrophobicContact CE3-CD2 4.04Å; W40-F51 AromaticContact CZ3-CD2 3.94Å; W40-F51 HydrophobicContact CZ3-CD2 3.94Å; W40-F51 HydrophobicContact CZ3-CE2 4.43Å; I41-F51 CarbonylContact O-C 3.51Å; I41-F51 WeakPolarHBondContact O-CA 3.44Å; I41-F51 WeakPolarHBondContact O-CB 3.27Å; F51-Y62 HydrophobicContact CD2-CD2 4.21Å; F51-Y62 AromaticContact CE2-CD2 3.82Å; F51-Y62 HydrophobicContact CE2-CD2 3.82Å; F51-Y62 HydrophobicContact CE2-CG 4.03Å; F51-Y62 HydrophobicContact CZ-CD2 4.45Å; F51-Y62 HydrophobicContact CZ-CG 4.2Å; F51-Y62 PolarHBondContact N-O 3.36Å; F51-Y62 PolarHBondContact O-N 3.12Å; F51-L64 HydrophobicContact CE1-CD1 3.57Å; F51-L64 HydrophobicContact CE1-CG 4.02Å; F51-L64 HydrophobicContact CZ-CD1 3.9Å; F51-V80 HydrophobicContact CB-CG2 3.99Å; F51-V80 HydrophobicContact CD1-CG2 4.44Å; F51-V80 HydrophobicContact CD2-CB 4.49Å; F51-V80 HydrophobicContact CD2-CG1 3.9Å; F51-V80 HydrophobicContact CD2-CG2 3.7Å; F51-V80 HydrophobicContact CE2-CG1 4.01Å; F51-V80 HydrophobicContact CE2-CG2 4.27Å; F51-V80 HydrophobicContact CG-CG2 3.79Å; F51-P93 HydrophobicContact CE2-CB 4.36Å; F51-P93 HydrophobicContact CE2-CG 3.77Å; F51-C95 HydrophobicContact CE1-CB 4.14Å; F51-C95 HydrophobicContact CZ-CB 3.95Å; F51-A110 HydrophobicContact CE2-CB 3.95Å; F51-A110 HydrophobicContact CZ-CB 3.52Å
52	W	79.4	Confident	75.9	Confident	2 Å²	2	52.2 Å²	52.2	1%	0.008	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	160.6	-176.1	66.7	101.6	0	0	0	110.3	L3 P11 V14 W40 I41 F43 C61	L3-W52 HydrophobicContact CD1-CH2 4.44Å; P11-W52 HydrophobicContact CG-CB 4.08Å; P11-W52 HydrophobicContact CG-CD2 3.63Å; P11-W52 HydrophobicContact CG-CE3 4.12Å; P11-W52 HydrophobicContact CG-CG 3.6Å; V14-W52 HydrophobicContact CG1-CH2 4.33Å; V14-W52 HydrophobicContact CG2-CE3 4.27Å; V14-W52 HydrophobicContact CG2-CH2 4.26Å; V14-W52 HydrophobicContact CG2-CZ3 3.75Å; W40-W52 WeakPolarHBondContact CA-O 3.22Å; W40-W52 VanDerWaalsContact CE3-C 3.43Å; I41-W52 HydrophobicContact CB-CD2 4.19Å; I41-W52 HydrophobicContact CB-CE3 4.42Å; I41-W52 HydrophobicContact CB-CH2 4.04Å; I41-W52 HydrophobicContact CB-CZ2 3.79Å; I41-W52 HydrophobicContact CB-CZ3 4.34Å; I41-W52 HydrophobicContact CD1-CZ2 3.83Å; I41-W52 HydrophobicContact CG1-CZ2 4.4Å; I41-W52 HydrophobicContact CG2-CE3 4.48Å; I41-W52 HydrophobicContact CG2-CH2 3.45Å; I41-W52 VanDerWaalsContact CG2-CH2 3.45Å; I41-W52 HydrophobicContact CG2-CZ2 3.6Å; I41-W52 HydrophobicContact CG2-CZ3 3.92Å; I41-W52 PolarHBondContact N-O 3.32Å; I41-W52 PolarHBondContact O-N 3.4Å; F43-W52 HydrophobicContact CB-CH2 4.15Å; F43-W52 HydrophobicContact CB-CZ3 3.78Å; W52-C61 HydrophobicContact CB-CB 4.22Å
53	N	73.9	Confident	76.4	Confident	24 Å²	24	54.7 Å²	54.7	13%	0.128	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	133.2	172	-171.4	-45.8	0	0	0	109.2	D39 W40 R55 E56 A57	D39-N53 CarbonylContact O-C 3.39Å; D39-N53 WeakPolarHBondContact O-CA 3.49Å; D39-N53 PolarHBondContact O-OD1 2.67Å; W40-N53 HydrophobicContact CD2-CB 4.21Å; W40-N53 HydrophobicContact CE3-CB 4.29Å; W40-N53 HydrophobicContact CH2-CB 4.09Å; W40-N53 HydrophobicContact CZ2-CB 3.99Å; W40-N53 HydrophobicContact CZ3-CB 4.24Å; N53-R55 VanDerWaalsContact C-N 3.26Å; N53-R55 PolarHBondContact O-N 3.42Å; N53-R55 WeakPolarHBondContact OD1-CB 3.32Å; N53-R55 PolarHBondContact OD1-N 3.24Å; N53-E56 HydrophobicContact CB-CB 4.48Å; N53-E56 CarbonylContact O-C 3.58Å; N53-E56 VanDerWaalsContact O-C 3.32Å; N53-E56 PolarHBondContact O-N 3.25Å; N53-A57 PolarHBondContact O-N 2.82Å
54	L	63.4	Low	76.9	Confident	52 Å²	52	54.5 Å²	54.5	27%	0.272	26%	0.263	S	S	.	.	G	3₁₀ helix	trans	-59.1	-34.9	176.9	-84.1	-178.5	0	0	0	113.6	L8 F34 G38 D39 I41 E56	L8-L54 HydrophobicContact CD1-CD2 3.96Å; L8-L54 HydrophobicContact CD2-CD2 3.55Å; L8-L54 HydrophobicContact CG-CD2 4.24Å; F34-L54 HydrophobicContact CE1-CD1 4.38Å; G38-L54 WeakPolarHBondContact O-CD1 3.4Å; D39-L54 PolarHBondContact O-N 3.03Å; I41-L54 HydrophobicContact CD1-CD1 4.39Å; I41-L54 HydrophobicContact CD1-CD2 3.36Å; I41-L54 HydrophobicContact CD1-CG 3.89Å; I41-L54 HydrophobicContact CG1-CD2 4.08Å; I41-L54 HydrophobicContact CG1-CG 4.05Å; L54-E56 VanDerWaalsContact C-N 3.28Å; L54-E56 PolarHBondContact O-N 2.95Å
55	R	63.2	Low	77.3	Confident	190 Å²	190	56.7 Å²	56.7	72%	0.717	28%	0.278	S	S	*	.	G	3₁₀ helix	trans	-76.8	-17.2	-178.6	-54.2	-176.1	-167.5	-171.2	2.4	112.7	D39 N53	D39-R55 IonicContact OD1-CZ 3.34Å; D39-R55 IonicContact OD1-NE 3.06Å; D39-R55 PolarHBondContact OD1-NE 3Å; D39-R55 IonicContact OD1-NH2 2.83Å; D39-R55 PolarHBondContact OD1-NH2 3.21Å; D39-R55 IonicContact OD2-CZ 3.94Å; D39-R55 IonicContact OD2-NH2 3.32Å; D39-R55 PolarHBondContact OD2-NH2 3.25Å; N53-R55 VanDerWaalsContact C-N 3.26Å; N53-R55 PolarHBondContact O-N 3.42Å; N53-R55 WeakPolarHBondContact OD1-CB 3.32Å; N53-R55 PolarHBondContact OD1-N 3.24Å
56	E	63.8	Low	77.7	Confident	97 Å²	97	57.2 Å²	57.2	45%	0.453	28%	0.28	S	S	.	.	G	3₁₀ helix	trans	-136.7	45.5	-174.7	-62.3	-179	-178.5	0	0	111.3	N53 L54 E58 V59 N60	N53-E56 HydrophobicContact CB-CB 4.48Å; N53-E56 CarbonylContact O-C 3.58Å; N53-E56 VanDerWaalsContact O-C 3.32Å; N53-E56 PolarHBondContact O-N 3.25Å; L54-E56 VanDerWaalsContact C-N 3.28Å; L54-E56 PolarHBondContact O-N 2.95Å; E56-E58 VanDerWaalsContact C-N 3.3Å; E56-E58 PolarHBondContact O-N 2.99Å; E56-V59 PolarHBondContact O-N 2.98Å; E56-N60 PolarHBondContact O-N 3.33Å; E56-N60 PolarHBondContact OE2-ND2 2.71Å
57	A	56	Low	78.3	Confident	11 Å²	11	53.1 Å²	53.1	9%	0.091	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-37.2	-172.5	0	0	0	0	0	113.4	E9 N53	E9-A57 HydrophobicContact CB-CB 4.27Å; N53-A57 PolarHBondContact O-N 2.82Å
58	E	54.8	Low	78.4	Confident	168 Å²	168	53.5 Å²	53.5	79%	0.785	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.6	-26.2	-180	-64.3	-166.6	143.2	0	0	113.8	E56	E56-E58 VanDerWaalsContact C-N 3.3Å; E56-E58 PolarHBondContact O-N 2.99Å
59	V	59.5	Low	78.4	Confident	111 Å²	111	51.2 Å²	51.2	67%	0.673	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98	-35.6	-166.4	-174.7	0	0	0	0	112.9	E56	E56-V59 PolarHBondContact O-N 2.98Å
60	N	71.4	Confident	78	Confident	42 Å²	42	54.8 Å²	54.8	23%	0.225	29%	0.293	C	S	.	.			trans	-134.3	57.2	-161.5	-76.5	-38.9	0	0	0	114	E56 Y62	E56-N60 PolarHBondContact O-N 3.33Å; E56-N60 PolarHBondContact OE2-ND2 2.71Å; N60-Y62 HydrophobicContact CB-CE2 4.03Å
61	C	83.3	Confident	77.9	Confident	32 Å²	32	57 Å²	57	22%	0.216	31%	0.307	C	S	.	.			trans	-90.4	115.9	168	-175	0	0	0	0	111.3	P11 W52	P11-C61 HydrophobicContact CB-CB 3.66Å; P11-C61 HydrophobicContact CG-CB 3.89Å; W52-C61 HydrophobicContact CB-CB 4.22Å
62	Y	88.6	Confident	77.7	Confident	30 Å²	30	62.2 Å²	62.2	12%	0.118	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	136.3	178.8	-62.5	-83.6	0	0	0	110.6	W40 Y50 F51 N60 I92 P93 A110	W40-Y62 HydrophobicContact CH2-CE2 4.43Å; W40-Y62 HydrophobicContact CZ3-CD2 4.46Å; W40-Y62 HydrophobicContact CZ3-CE2 4.47Å; Y50-Y62 CarbonylContact C-O 3.42Å; Y50-Y62 VanDerWaalsContact CA-O 3.25Å; Y50-Y62 WeakPolarHBondContact CA-O 3.43Å; F51-Y62 HydrophobicContact CD2-CD2 4.21Å; F51-Y62 AromaticContact CE2-CD2 3.82Å; F51-Y62 HydrophobicContact CE2-CD2 3.82Å; F51-Y62 HydrophobicContact CE2-CG 4.03Å; F51-Y62 HydrophobicContact CZ-CD2 4.45Å; F51-Y62 HydrophobicContact CZ-CG 4.2Å; F51-Y62 PolarHBondContact N-O 3.36Å; F51-Y62 PolarHBondContact O-N 3.12Å; N60-Y62 HydrophobicContact CB-CE2 4.03Å; Y62-I92 HydrophobicContact CE1-CG2 4.29Å; Y62-P93 HydrophobicContact CD2-CG 3.94Å; Y62-P93 HydrophobicContact CE2-CG 3.63Å; Y62-A110 HydrophobicContact CD1-CB 3.45Å; Y62-A110 VanDerWaalsContact CD1-CB 3.45Å; Y62-A110 HydrophobicContact CD2-CB 4.26Å; Y62-A110 HydrophobicContact CE1-CB 3.94Å; Y62-A110 HydrophobicContact CG-CB 3.62Å
63	S	88.6	Confident	77.9	Confident	53 Å²	53	62.6 Å²	62.6	37%	0.371	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	124.3	174.3	62.6	0	0	0	0	110.6	T49	T49-S63 WeakPolarHBondContact O-CA 3.25Å
64	L	92.6	Very high	78.3	Confident	0 Å²	0	66.1 Å²	66.1	0%	0	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	140.6	-178.4	-60.7	178.4	0	0	0	111	T49 F51 C95 W107 P113	T49-L64 HydrophobicContact CG2-CB 3.79Å; T49-L64 WeakPolarHBondContact CG2-O 3.45Å; T49-L64 PolarHBondContact N-O 3.32Å; T49-L64 PolarHBondContact O-N 3.29Å; F51-L64 HydrophobicContact CE1-CD1 3.57Å; F51-L64 HydrophobicContact CE1-CG 4.02Å; F51-L64 HydrophobicContact CZ-CD1 3.9Å; L64-C95 HydrophobicContact CD1-CB 3.7Å; L64-W107 HydrophobicContact CB-CH2 4.12Å; L64-W107 HydrophobicContact CB-CZ2 3.96Å; L64-W107 HydrophobicContact CD1-CB 4.35Å; L64-W107 HydrophobicContact CD1-CD2 3.67Å; L64-W107 HydrophobicContact CD1-CE3 3.74Å; L64-W107 HydrophobicContact CD1-CG 3.95Å; L64-W107 HydrophobicContact CD1-CZ3 4.18Å; L64-W107 HydrophobicContact CD2-CD2 4.38Å; L64-W107 HydrophobicContact CD2-CG 4.29Å; L64-W107 HydrophobicContact CG-CD2 4.45Å; L64-P113 HydrophobicContact CD2-CB 3.9Å
65	P	91.5	Very high	79.2	Confident	48 Å²	48	63.7 Å²	63.7	31%	0.312	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	129.9	176.6	31.2	-33.3	0	0	0	111.5	M48 R105 W107	M48-P65 HydrophobicContact SD-CB 4.15Å; P65-R105 PolarHBondContact O-NH1 2.87Å; P65-W107 VanDerWaalsContact O-CH2 3.28Å; P65-W107 WeakPolarHBondContact O-CH2 3.44Å; P65-W107 WeakPolarHBondContact O-CZ2 3.26Å
66	L	91.4	Very high	80	Confident	11 Å²	11	55.2 Å²	55.2	6%	0.058	31%	0.307	C	S	.	.	P	Polyproline II helix	trans	-76.4	152.2	177.7	-63.1	175.8	0	0	0	111.7	V44 R47 T49 Y73 V97 R105	V44-L66 HydrophobicContact CG1-CD1 3.69Å; R47-L66 WeakPolarHBondContact O-CB 3.37Å; R47-L66 PolarHBondContact O-N 2.65Å; T49-L66 HydrophobicContact CG2-CD2 3.87Å; T49-L66 HydrophobicContact CG2-CG 4.48Å; L66-Y73 HydrophobicContact CB-CD2 4.38Å; L66-Y73 HydrophobicContact CB-CE1 4.26Å; L66-Y73 HydrophobicContact CB-CE2 3.93Å; L66-Y73 HydrophobicContact CD1-CD1 3.95Å; L66-Y73 HydrophobicContact CD1-CD2 3.91Å; L66-Y73 HydrophobicContact CD1-CE1 4.34Å; L66-Y73 HydrophobicContact CD1-CE2 4.31Å; L66-Y73 HydrophobicContact CD1-CG 3.72Å; L66-Y73 HydrophobicContact CD2-CD1 4.47Å; L66-Y73 HydrophobicContact CD2-CE1 4.34Å; L66-V97 HydrophobicContact CD2-CB 4.33Å; L66-V97 HydrophobicContact CD2-CG1 4.15Å; L66-V97 HydrophobicContact CD2-CG2 3.68Å; L66-R105 PolarHBondContact O-NH1 3.36Å
67	P	89.3	Confident	81.1	Confident	0 Å²	0	50.8 Å²	50.8	0%	0	29%	0.286	C	S	.	.	P	Polyproline II helix	trans	-57.2	154.1	171.4	-21.2	29	0	0	0	112.8	S69 Y73 V97 V103 R105	P67-S69 PolarHBondContact O-N 3.27Å; P67-Y73 WeakPolarHBondContact CB-OH 3.29Å; P67-Y73 VanDerWaalsContact CD-OH 3.25Å; P67-Y73 WeakPolarHBondContact CD-OH 3.35Å; P67-Y73 WeakPolarHBondContact O-CE2 3.34Å; P67-Y73 PolarHBondContact O-OH 3.13Å; P67-V97 HydrophobicContact CG-CG1 4.13Å; P67-V103 HydrophobicContact CB-CB 4.1Å; P67-V103 HydrophobicContact CB-CG1 3.82Å; P67-V103 HydrophobicContact CG-CG1 4.27Å; P67-R105 HydrophobicContact CG-CB 3.74Å
68	Q	85.4	Confident	82.6	Confident	159 Å²	159	50.3 Å²	50.3	74%	0.743	28%	0.282	S	S	*	.	P	Polyproline II helix	trans	-63.4	134.6	173.7	-65.9	-171	0.6	0	0	109.6
69	S	86.4	Confident	84.1	Confident	13 Å²	13	42.6 Å²	42.6	9%	0.091	25%	0.246	C	C	.	.			trans	-149.9	137.1	179.5	174.1	0	0	0	0	107.8	P67 L71	P67-S69 PolarHBondContact O-N 3.27Å; S69-L71 PolarHBondContact OG-N 3.46Å; S69-L71 PolarHBondContact OG-O 3.18Å
70	G	81.7	Confident	85.3	Confident	74 Å²	74	37.4 Å²	37.4	76%	0.763	22%	0.215	S	C	*	.	S	Bend	trans	-74.7	-17.7	167.1	0	0	0	0	0	112.4	E101	G70-E101 WeakPolarHBondContact CA-OE1 3.18Å; G70-E101 PolarHBondContact N-OE1 3.13Å
71	L	85	Confident	85.8	Confident	80 Å²	80	36.3 Å²	36.3	42%	0.419	21%	0.209	S	C	.	.	S	Bend	trans	-98.8	154.5	179.7	-63	177.7	0	0	0	112.7	S69 P100 E101 V127	S69-L71 PolarHBondContact OG-N 3.46Å; S69-L71 PolarHBondContact OG-O 3.18Å; L71-P100 HydrophobicContact CB-CB 3.62Å; L71-P100 HydrophobicContact CB-CG 3.87Å; L71-P100 HydrophobicContact CD1-CB 3.74Å; L71-P100 HydrophobicContact CG-CB 4.32Å; L71-E101 HydrophobicContact CD1-CG 4.13Å; L71-E101 HydrophobicContact CG-CG 4.4Å; L71-V127 HydrophobicContact CD1-CG1 3.86Å; L71-V127 HydrophobicContact CD1-CG2 3.97Å
72	I	82.6	Confident	85.4	Confident	110 Å²	110	42.7 Å²	42.7	56%	0.564	23%	0.228	S	C	*	.	P	Polyproline II helix	trans	-65.6	131.9	175.9	-78.7	163.2	0	0	0	110.9	A29 P100	A29-I72 HydrophobicContact CB-CB 4.03Å; A29-I72 HydrophobicContact CB-CD1 3.98Å; A29-I72 HydrophobicContact CB-CG1 3.85Å; A29-I72 HydrophobicContact CB-CG2 3.06Å; I72-P100 VanDerWaalsContact O-CG 3.26Å; I72-P100 WeakPolarHBondContact O-CG 3.44Å
73	Y	83.7	Confident	84.3	Confident	10 Å²	10	43.5 Å²	43.5	4%	0.039	24%	0.237	C	C	.	.	P	Polyproline II helix	trans	-78.7	144.7	171.8	-82.6	-92.4	0	0	0	112.4	L66 P67 V97 S99	L66-Y73 HydrophobicContact CB-CD2 4.38Å; L66-Y73 HydrophobicContact CB-CE1 4.26Å; L66-Y73 HydrophobicContact CB-CE2 3.93Å; L66-Y73 HydrophobicContact CD1-CD1 3.95Å; L66-Y73 HydrophobicContact CD1-CD2 3.91Å; L66-Y73 HydrophobicContact CD1-CE1 4.34Å; L66-Y73 HydrophobicContact CD1-CE2 4.31Å; L66-Y73 HydrophobicContact CD1-CG 3.72Å; L66-Y73 HydrophobicContact CD2-CD1 4.47Å; L66-Y73 HydrophobicContact CD2-CE1 4.34Å; P67-Y73 WeakPolarHBondContact CB-OH 3.29Å; P67-Y73 VanDerWaalsContact CD-OH 3.25Å; P67-Y73 WeakPolarHBondContact CD-OH 3.35Å; P67-Y73 WeakPolarHBondContact O-CE2 3.34Å; P67-Y73 PolarHBondContact O-OH 3.13Å; Y73-V97 HydrophobicContact CE1-CG2 4.26Å; Y73-S99 WeakPolarHBondContact OH-CB 3.26Å
74	H	81.7	Confident	82.7	Confident	97 Å²	97	47.9 Å²	47.9	45%	0.449	26%	0.255	S	S	.	.			trans	-116.7	144.7	164.8	-89	-84.8	0	0	0	110.5	S31 D76 L77	S31-H74 VanDerWaalsContact OG-CA 3.29Å; S31-H74 WeakPolarHBondContact OG-CA 3.23Å; H74-D76 PolarHBondContact O-N 3.49Å; H74-D76 VanDerWaalsContact O-N 3.08Å; H74-L77 WeakPolarHBondContact O-CB 3.31Å; H74-L77 PolarHBondContact O-N 3.38Å
75	A	81.8	Confident	80.5	Confident	1 Å²	1	54.1 Å²	54.1	1%	0.008	29%	0.289	C	S	.	.	G	3₁₀ helix	trans	-59	-18.6	175.2	0	0	0	0	0	113.1	S31 R33 V44 L77 L78	S31-A75 PolarHBondContact OG-N 3.4Å; R33-A75 HydrophobicContact CB-CB 3.69Å; V44-A75 HydrophobicContact CG2-CB 4.15Å; A75-L77 PolarHBondContact O-N 2.89Å; A75-L78 PolarHBondContact O-N 2.98Å
76	D	80	Confident	78.1	Confident	13 Å²	13	55.9 Å²	55.9	7%	0.07	31%	0.307	C	S	.	.	G	3₁₀ helix	trans	-63.2	-19.7	172	-72.6	-3.7	0	0	0	113.7	R33 H74 L78 L131 R333	R33-D76 WeakPolarHBondContact CD-OD1 3.39Å; R33-D76 IonicContact NE-OD1 3.47Å; R33-D76 PolarHBondContact NH1-O 3.46Å; H74-D76 PolarHBondContact O-N 3.49Å; H74-D76 VanDerWaalsContact O-N 3.08Å; D76-L78 VanDerWaalsContact C-N 3.31Å; D76-L131 WeakPolarHBondContact O-CB 3.35Å; D76-L131 PolarHBondContact O-N 2.98Å; D76-R333 VanDerWaalsContact CG-NH2 3.34Å; D76-R333 IonicContact OD1-CZ 2.64Å; D76-R333 IonicContact OD1-NH1 2.76Å; D76-R333 PolarHBondContact OD1-NH1 2.82Å; D76-R333 IonicContact OD1-NH2 3.07Å; D76-R333 PolarHBondContact OD1-NH2 2.79Å; D76-R333 IonicContact OD2-CZ 2.79Å; D76-R333 VanDerWaalsContact OD2-CZ 3.32Å; D76-R333 IonicContact OD2-NH1 3.92Å; D76-R333 PolarHBondContact OD2-NH1 3.25Å; D76-R333 IonicContact OD2-NH2 2.81Å; D76-R333 PolarHBondContact OD2-NH2 2.98Å
77	L	88	Confident	75.5	Confident	3 Å²	3	63.7 Å²	63.7	2%	0.016	34%	0.343	C	S	.	.	G	3₁₀ helix	trans	-91	7.7	-179.6	-59.5	179	0	0	0	113.6	H74 A75 V97 I98 P100 C128 K129	H74-L77 WeakPolarHBondContact O-CB 3.31Å; H74-L77 PolarHBondContact O-N 3.38Å; A75-L77 PolarHBondContact O-N 2.89Å; L77-V97 WeakPolarHBondContact O-CA 3.49Å; L77-V97 WeakPolarHBondContact O-CG2 3.29Å; L77-I98 HydrophobicContact CB-CG2 3.86Å; L77-I98 WeakPolarHBondContact CB-O 3.45Å; L77-I98 HydrophobicContact CD2-CG2 3.84Å; L77-I98 HydrophobicContact CG-CG2 4.35Å; L77-I98 PolarHBondContact O-N 3.09Å; L77-P100 HydrophobicContact CD1-CB 4.41Å; L77-P100 HydrophobicContact CD1-CG 3.84Å; L77-C128 HydrophobicContact CD2-CB 3.97Å; L77-K129 WeakPolarHBondContact CD2-O 3.47Å
78	L	87.3	Confident	72.9	Confident	1 Å²	1	72.9 Å²	72.9	1%	0.005	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	149	-179	-173.5	135.2	0	0	0	110.2	F35 T49 A75 D76 V80 I96 V97	F35-L78 WeakPolarHBondContact CE1-O 3.31Å; F35-L78 HydrophobicContact CE2-CD2 3.76Å; F35-L78 HydrophobicContact CZ-CD2 4.17Å; F35-L78 WeakPolarHBondContact CZ-O 3.34Å; T49-L78 HydrophobicContact CG2-CD1 3.55Å; T49-L78 WeakPolarHBondContact OG1-CD1 3.39Å; A75-L78 PolarHBondContact O-N 2.98Å; D76-L78 VanDerWaalsContact C-N 3.31Å; L78-V80 HydrophobicContact CD2-CG2 3.9Å; L78-I96 WeakPolarHBondContact CA-O 3.38Å; L78-V97 HydrophobicContact CB-CG2 4.19Å; L78-V97 HydrophobicContact CD1-CB 4.29Å; L78-V97 HydrophobicContact CD1-CG2 4.11Å
79	L	86	Confident	71.1	Confident	6 Å²	6	70.6 Å²	70.6	3%	0.031	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	135.7	168	-66.8	168.7	0	0	0	109.8	F35 C95 I96 L131 L133 C140	F35-L79 HydrophobicContact CD1-CD2 4.15Å; F35-L79 HydrophobicContact CE1-CD2 3.81Å; L79-C95 WeakPolarHBondContact O-CA 3.16Å; L79-I96 HydrophobicContact CB-CG2 3.7Å; L79-I96 HydrophobicContact CD1-CG2 4.13Å; L79-I96 HydrophobicContact CG-CG2 4.38Å; L79-I96 PolarHBondContact N-O 3.28Å; L79-I96 PolarHBondContact O-N 3.2Å; L79-L131 HydrophobicContact CD1-CB 4.46Å; L79-L131 HydrophobicContact CD1-CD2 3.66Å; L79-L131 HydrophobicContact CD1-CG 3.64Å; L79-L131 HydrophobicContact CG-CB 4.38Å; L79-L131 HydrophobicContact CG-CD2 3.79Å; L79-L131 HydrophobicContact CG-CG 3.98Å; L79-L133 HydrophobicContact CD1-CB 4Å; L79-L133 HydrophobicContact CD2-CB 4.16Å; L79-C140 HydrophobicContact CD1-CB 3.66Å
80	V	85.1	Confident	69.3	Low	2 Å²	2	78 Å²	78	1%	0.012	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	121	171.4	-177.2	0	0	0	0	108.8	F35 N36 W40 F51 L78 P93	F35-V80 HydrophobicContact CD2-CB 4.46Å; F35-V80 HydrophobicContact CD2-CG2 3.99Å; F35-V80 HydrophobicContact CE2-CG2 4.28Å; N36-V80 PolarHBondContact ND2-O 3.29Å; W40-V80 HydrophobicContact CD2-CG1 4.01Å; W40-V80 HydrophobicContact CE3-CG1 3.9Å; W40-V80 HydrophobicContact CG-CG1 4.42Å; W40-V80 HydrophobicContact CZ3-CG1 4.37Å; F51-V80 HydrophobicContact CB-CG2 3.99Å; F51-V80 HydrophobicContact CD1-CG2 4.44Å; F51-V80 HydrophobicContact CD2-CB 4.49Å; F51-V80 HydrophobicContact CD2-CG1 3.9Å; F51-V80 HydrophobicContact CD2-CG2 3.7Å; F51-V80 HydrophobicContact CE2-CG1 4.01Å; F51-V80 HydrophobicContact CE2-CG2 4.27Å; F51-V80 HydrophobicContact CG-CG2 3.79Å; L78-V80 HydrophobicContact CD2-CG2 3.9Å; V80-P93 HydrophobicContact CG1-CB 3.91Å
81	L	81.5	Confident	68.5	Low	19 Å²	19	77.8 Å²	77.8	10%	0.099	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	124.4	-173.8	-57.7	170	0	0	0	110	P93 G94 I96 Y106 L133 F154	L81-P93 WeakPolarHBondContact O-CA 3.31Å; L81-G94 PolarHBondContact N-O 2.99Å; L81-G94 PolarHBondContact O-N 3.44Å; L81-I96 HydrophobicContact CD1-CG2 4.41Å; L81-Y106 HydrophobicContact CD1-CD2 4.25Å; L81-Y106 HydrophobicContact CD1-CE2 3.63Å; L81-L133 HydrophobicContact CD2-CD1 3.69Å; L81-L133 HydrophobicContact CD2-CD2 4.16Å; L81-F154 HydrophobicContact CD1-CE1 4.33Å; L81-F154 HydrophobicContact CD1-CE2 4.4Å; L81-F154 HydrophobicContact CD1-CZ 4.2Å; L81-F154 HydrophobicContact CD2-CE1 4.48Å; L81-F154 HydrophobicContact CD2-CE2 3.97Å; L81-F154 HydrophobicContact CD2-CZ 3.69Å
82	R	74.3	Confident	68	Low	167 Å²	167	77.1 Å²	77.1	63%	0.63	39%	0.391	S	S	*	.	P	Polyproline II helix	trans	-77.4	141.7	173.4	-70.3	-172.2	-74.2	145.1	-5.6	110.4
83	P	65.4	Low	68.1	Low	47 Å²	47	71.9 Å²	71.9	31%	0.305	36%	0.364	S	S	.	.	P	Polyproline II helix	trans	-63.9	139.6	168.5	24.9	-30.9	0	0	0	110.6	N85 N91	P83-N85 VanDerWaalsContact C-N 3.34Å; P83-N85 PolarHBondContact O-N 3.41Å; P83-N91 HydrophobicContact CG-CB 3.42Å; P83-N91 VanDerWaalsContact CG-CB 3.42Å; P83-N91 WeakPolarHBondContact CG-OD1 3.31Å
84	I	56.6	Low	68.3	Low	144 Å²	144	71.7 Å²	71.7	74%	0.738	37%	0.366	S	S	*	.	S	Bend	trans	-69.7	-29.8	-170.5	-61.2	169.1	0	0	0	112
85	N	44.7	Very low	68.7	Low	132 Å²	132	67.1 Å²	67.1	71%	0.706	34%	0.344	S	S	*	.			trans	-102.3	91.6	-175.8	-64.9	-5.7	0	0	0	110.4	P83 E87	P83-N85 VanDerWaalsContact C-N 3.34Å; P83-N85 PolarHBondContact O-N 3.41Å; N85-E87 PolarHBondContact O-N 3.47Å; N85-E87 VanDerWaalsContact O-N 3.15Å
86	A	42.3	Very low	69.1	Low	84 Å²	84	67.1 Å²	67.1	69%	0.694	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.1	24.5	-173.8	0	0	0	0	0	115.8
87	E	36.3	Very low	69.6	Low	175 Å²	175	66.6 Å²	66.6	82%	0.818	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.4	1	-175.3	-74	-172.2	165.9	0	0	115.9	N85	N85-E87 PolarHBondContact O-N 3.47Å; N85-E87 VanDerWaalsContact O-N 3.15Å
88	Y	35.3	Very low	69.8	Low	193 Å²	193	66.5 Å²	66.5	76%	0.757	34%	0.341	S	S	*	.	S	Bend	trans	-131.8	135.5	178.6	-66.8	-78.9	0	0	0	113.4	H90	Y88-H90 PolarHBondContact O-N 2.83Å
89	S	48.3	Very low	69.9	Low	112 Å²	112	66.4 Å²	66.4	78%	0.783	34%	0.341	S	S	*	.	S	Bend	trans	-66.1	15.9	-162.8	49	0	0	0	0	118.2
90	H	46.8	Very low	70.1	Confident	167 Å²	167	66.3 Å²	66.3	77%	0.773	34%	0.34	S	S	*	.			trans	-143.7	75.3	172.7	-70.1	-63.8	0	0	0	111.2	Y88 I92	Y88-H90 PolarHBondContact O-N 2.83Å; H90-I92 PolarHBondContact O-N 2.9Å
91	N	65.6	Low	70.2	Confident	70 Å²	70	70.8 Å²	70.8	37%	0.374	36%	0.361	S	S	.	.			trans	-86.4	87.9	-177.8	-92.6	-18.2	0	0	0	111.8	P83 P93	P83-N91 HydrophobicContact CG-CB 3.42Å; P83-N91 VanDerWaalsContact CG-CB 3.42Å; P83-N91 WeakPolarHBondContact CG-OD1 3.31Å; N91-P93 WeakPolarHBondContact O-CD 3.4Å
92	I	75.3	Confident	70.5	Confident	66 Å²	66	70 Å²	70	34%	0.338	36%	0.357	S	S	.	.	P	Polyproline II helix	trans	-65.9	122.3	174.1	-57.8	169.5	0	0	0	108.9	Y62 H90 K109	Y62-I92 HydrophobicContact CE1-CG2 4.29Å; H90-I92 PolarHBondContact O-N 2.9Å; I92-K109 HydrophobicContact CG2-CB 4.14Å
93	P	84.7	Confident	71.2	Confident	1 Å²	1	63 Å²	63	1%	0.006	33%	0.333	C	S	.	.	P	Polyproline II helix	trans	-73	154.8	-179.7	31.2	-37.4	0	0	0	112.2	W40 F51 Y62 V80 L81 N91 A110	W40-P93 HydrophobicContact CH2-CB 4.09Å; W40-P93 HydrophobicContact CH2-CG 3.64Å; W40-P93 HydrophobicContact CZ2-CB 4.44Å; W40-P93 HydrophobicContact CZ2-CG 4.43Å; W40-P93 HydrophobicContact CZ3-CG 3.97Å; F51-P93 HydrophobicContact CE2-CB 4.36Å; F51-P93 HydrophobicContact CE2-CG 3.77Å; Y62-P93 HydrophobicContact CD2-CG 3.94Å; Y62-P93 HydrophobicContact CE2-CG 3.63Å; V80-P93 HydrophobicContact CG1-CB 3.91Å; L81-P93 WeakPolarHBondContact O-CA 3.31Å; N91-P93 WeakPolarHBondContact O-CD 3.4Å; P93-A110 HydrophobicContact CG-CB 4.02Å; P93-A110 WeakPolarHBondContact O-CB 3.27Å; P93-A110 PolarHBondContact O-N 2.98Å
94	G	86.4	Confident	72.3	Confident	6 Å²	6	60.9 Å²	60.9	6%	0.062	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	166.1	162.9	0	0	0	0	0	111	L81 W107 V108	L81-G94 PolarHBondContact N-O 2.99Å; L81-G94 PolarHBondContact O-N 3.44Å; G94-W107 CarbonylContact C-O 3.57Å; G94-W107 VanDerWaalsContact CA-O 3.28Å; G94-W107 WeakPolarHBondContact CA-O 3.41Å; G94-V108 WeakPolarHBondContact CA-O 3.41Å
95	C	90.1	Very high	74	Confident	0 Å²	0	55 Å²	55	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	139.1	175.8	-177.7	0	0	0	0	110.6	F51 L64 L79 Y106 W107	F51-C95 HydrophobicContact CE1-CB 4.14Å; F51-C95 HydrophobicContact CZ-CB 3.95Å; L64-C95 HydrophobicContact CD1-CB 3.7Å; L79-C95 WeakPolarHBondContact O-CA 3.16Å; C95-Y106 WeakPolarHBondContact O-CD2 3.46Å; C95-W107 HydrophobicContact CB-CE3 4.14Å; C95-W107 PolarHBondContact N-O 3.22Å; C95-W107 PolarHBondContact O-N 2.9Å
96	I	90.6	Very high	76.1	Confident	2 Å²	2	49.5 Å²	49.5	1%	0.01	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	139.3	166	-171.5	164.4	0	0	0	109.1	L78 L79 L81 V104 R105 Y106 L131 F154	L78-I96 WeakPolarHBondContact CA-O 3.38Å; L79-I96 HydrophobicContact CB-CG2 3.7Å; L79-I96 HydrophobicContact CD1-CG2 4.13Å; L79-I96 HydrophobicContact CG-CG2 4.38Å; L79-I96 PolarHBondContact N-O 3.28Å; L79-I96 PolarHBondContact O-N 3.2Å; L81-I96 HydrophobicContact CD1-CG2 4.41Å; I96-V104 HydrophobicContact CD1-CG1 3.77Å; I96-V104 HydrophobicContact CG1-CG1 3.93Å; I96-R105 WeakPolarHBondContact CA-O 3.26Å; I96-Y106 HydrophobicContact CB-CD2 4.13Å; I96-L131 HydrophobicContact CG2-CD2 4.14Å; I96-F154 HydrophobicContact CB-CE1 4.34Å; I96-F154 HydrophobicContact CD1-CD1 3.65Å; I96-F154 HydrophobicContact CD1-CE1 3.64Å; I96-F154 HydrophobicContact CG2-CE1 3.87Å
97	V	91.7	Very high	78.3	Confident	1 Å²	1	45.5 Å²	45.5	1%	0.006	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	147.4	173.8	74.2	0	0	0	0	110.1	L66 P67 Y73 L77 L78 V104 R105 W107	L66-V97 HydrophobicContact CD2-CB 4.33Å; L66-V97 HydrophobicContact CD2-CG1 4.15Å; L66-V97 HydrophobicContact CD2-CG2 3.68Å; P67-V97 HydrophobicContact CG-CG1 4.13Å; Y73-V97 HydrophobicContact CE1-CG2 4.26Å; L77-V97 WeakPolarHBondContact O-CA 3.49Å; L77-V97 WeakPolarHBondContact O-CG2 3.29Å; L78-V97 HydrophobicContact CB-CG2 4.19Å; L78-V97 HydrophobicContact CD1-CB 4.29Å; L78-V97 HydrophobicContact CD1-CG2 4.11Å; V97-V104 CarbonylContact O-C 3.56Å; V97-V104 WeakPolarHBondContact O-CA 3.4Å; V97-R105 HydrophobicContact CG1-CB 3.98Å; V97-R105 PolarHBondContact N-O 3.3Å; V97-R105 PolarHBondContact O-N 3.43Å; V97-W107 HydrophobicContact CB-CZ3 4.23Å; V97-W107 HydrophobicContact CG1-CH2 3.84Å; V97-W107 HydrophobicContact CG1-CZ3 3.53Å
98	I	90.9	Very high	80.6	Confident	1 Å²	1	39.3 Å²	39.3	1%	0.005	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	137	169.5	-165.9	169.3	0	0	0	109.8	L77 V103 V104 I121 C128 L142 L152	L77-I98 HydrophobicContact CB-CG2 3.86Å; L77-I98 WeakPolarHBondContact CB-O 3.45Å; L77-I98 HydrophobicContact CD2-CG2 3.84Å; L77-I98 HydrophobicContact CG-CG2 4.35Å; L77-I98 PolarHBondContact O-N 3.09Å; I98-V103 CarbonylContact C-O 3.56Å; I98-V103 WeakPolarHBondContact CA-O 3.37Å; I98-V104 HydrophobicContact CB-CG2 4.17Å; I98-V104 HydrophobicContact CD1-CG2 3.7Å; I98-V104 HydrophobicContact CG1-CG2 3.7Å; I98-I121 HydrophobicContact CD1-CD1 4Å; I98-C128 HydrophobicContact CD1-CB 4.44Å; I98-C128 HydrophobicContact CG2-CB 4.32Å; I98-L142 HydrophobicContact CD1-CD1 3.83Å; I98-L142 HydrophobicContact CD1-CD2 3.54Å; I98-L142 HydrophobicContact CD1-CG 4.26Å; I98-L142 HydrophobicContact CG2-CD1 4.13Å; I98-L152 HydrophobicContact CD1-CD1 4.24Å
99	S	90.9	Very high	83.1	Confident	0 Å²	0	35 Å²	35	0%	0	18%	0.183	C	C	.	.			trans	-71.3	153.3	169.8	82.2	0	0	0	0	110.2	Y73 E101 G102 V103 C128	Y73-S99 WeakPolarHBondContact OH-CB 3.26Å; S99-E101 PolarHBondContact O-N 3.41Å; S99-E101 PolarHBondContact OG-N 3Å; S99-G102 PolarHBondContact O-N 3Å; S99-G102 PolarHBondContact OG-N 3.42Å; S99-V103 PolarHBondContact N-O 3.44Å; S99-V103 WeakPolarHBondContact OG-CB 3.43Å; S99-V103 WeakPolarHBondContact OG-CG2 3.34Å; S99-V103 PolarHBondContact OG-N 3Å; S99-C128 WeakPolarHBondContact O-CB 3.3Å
100	P	89	Confident	84.9	Confident	3 Å²	3	29.9 Å²	29.9	2%	0.019	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.1	-24.7	170.4	-24.4	31.7	0	0	0	113.4	L71 I72 L77 V127 C128	L71-P100 HydrophobicContact CB-CB 3.62Å; L71-P100 HydrophobicContact CB-CG 3.87Å; L71-P100 HydrophobicContact CD1-CB 3.74Å; L71-P100 HydrophobicContact CG-CB 4.32Å; I72-P100 VanDerWaalsContact O-CG 3.26Å; I72-P100 WeakPolarHBondContact O-CG 3.44Å; L77-P100 HydrophobicContact CD1-CB 4.41Å; L77-P100 HydrophobicContact CD1-CG 3.84Å; P100-V127 HydrophobicContact CB-CG1 3.92Å; P100-V127 CarbonylContact O-C 3.49Å; P100-V127 WeakPolarHBondContact O-CA 3.02Å; P100-C128 PolarHBondContact O-N 3.27Å
101	E	88.1	Confident	86.7	Confident	97 Å²	97	24.8 Å²	24.8	45%	0.453	13%	0.131	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.7	-2.7	179.1	-64.3	171.2	-176.5	0	0	113.8	G70 L71 S99	G70-E101 WeakPolarHBondContact CA-OE1 3.18Å; G70-E101 PolarHBondContact N-OE1 3.13Å; L71-E101 HydrophobicContact CD1-CG 4.13Å; L71-E101 HydrophobicContact CG-CG 4.4Å; S99-E101 PolarHBondContact O-N 3.41Å; S99-E101 PolarHBondContact OG-N 3Å
102	G	87.6	Confident	87.8	Confident	1 Å²	1	25.9 Å²	25.9	1%	0.01	13%	0.133	C	C	.	.	S	Bend	trans	99	14.3	175.9	0	0	0	0	0	116.2	S99 V104 I121	S99-G102 PolarHBondContact O-N 3Å; S99-G102 PolarHBondContact OG-N 3.42Å; G102-V104 PolarHBondContact O-N 3.23Å; G102-I121 PolarHBondContact O-N 3.47Å
103	V	88.7	Confident	88.3	Confident	22 Å²	22	25.4 Å²	25.4	13%	0.133	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	112.3	173.4	-173.3	0	0	0	0	109.6	P67 I98 S99 E118 T120	P67-V103 HydrophobicContact CB-CB 4.1Å; P67-V103 HydrophobicContact CB-CG1 3.82Å; P67-V103 HydrophobicContact CG-CG1 4.27Å; I98-V103 CarbonylContact C-O 3.56Å; I98-V103 WeakPolarHBondContact CA-O 3.37Å; S99-V103 PolarHBondContact N-O 3.44Å; S99-V103 WeakPolarHBondContact OG-CB 3.43Å; S99-V103 WeakPolarHBondContact OG-CG2 3.34Å; S99-V103 PolarHBondContact OG-N 3Å; V103-E118 HydrophobicContact CG1-CG 3.79Å; V103-T120 HydrophobicContact CG2-CG2 4.2Å
104	V	89.3	Confident	88.4	Confident	1 Å²	1	30.5 Å²	30.5	1%	0.006	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	130.2	176.3	178.2	0	0	0	0	110.3	I96 V97 I98 G102 E118 A119 I121 L152 L162	I96-V104 HydrophobicContact CD1-CG1 3.77Å; I96-V104 HydrophobicContact CG1-CG1 3.93Å; V97-V104 CarbonylContact O-C 3.56Å; V97-V104 WeakPolarHBondContact O-CA 3.4Å; I98-V104 HydrophobicContact CB-CG2 4.17Å; I98-V104 HydrophobicContact CD1-CG2 3.7Å; I98-V104 HydrophobicContact CG1-CG2 3.7Å; G102-V104 PolarHBondContact O-N 3.23Å; V104-E118 CarbonylContact O-C 3.56Å; V104-E118 VanDerWaalsContact O-CA 3.26Å; V104-E118 WeakPolarHBondContact O-CA 3.48Å; V104-A119 PolarHBondContact N-O 2.92Å; V104-A119 PolarHBondContact O-N 2.88Å; V104-I121 HydrophobicContact CG2-CD1 3.26Å; V104-I121 HydrophobicContact CG2-CG1 3.92Å; V104-L152 HydrophobicContact CG2-CD1 4.44Å; V104-L162 HydrophobicContact CB-CD1 4.08Å; V104-L162 HydrophobicContact CG1-CD1 3.8Å; V104-L162 HydrophobicContact CG1-CD2 3.99Å
105	R	90.7	Very high	88.5	Confident	21 Å²	21	33.2 Å²	33.2	8%	0.079	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	129.6	172.4	-174.9	179.1	-67.2	166.5	-3.7	110.3	P65 L66 P67 I96 V97 W107 Y116 I117 E118	P65-R105 PolarHBondContact O-NH1 2.87Å; L66-R105 PolarHBondContact O-NH1 3.36Å; P67-R105 HydrophobicContact CG-CB 3.74Å; I96-R105 WeakPolarHBondContact CA-O 3.26Å; V97-R105 HydrophobicContact CG1-CB 3.98Å; V97-R105 PolarHBondContact N-O 3.3Å; V97-R105 PolarHBondContact O-N 3.43Å; R105-W107 HydrophobicContact CB-CH2 4.27Å; R105-W107 HydrophobicContact CB-CZ3 4.32Å; R105-W107 HydrophobicContact CG-CD2 4.43Å; R105-W107 HydrophobicContact CG-CE3 4.33Å; R105-W107 HydrophobicContact CG-CH2 3.74Å; R105-W107 HydrophobicContact CG-CZ2 3.81Å; R105-W107 HydrophobicContact CG-CZ3 4.01Å; R105-Y116 HydrophobicContact CG-CD2 3.59Å; R105-Y116 HydrophobicContact CG-CE2 4.32Å; R105-Y116 HydrophobicContact CG-CG 3.77Å; R105-I117 CarbonylContact C-O 3.48Å; R105-I117 WeakPolarHBondContact CA-O 3.43Å; R105-E118 IonicContact CZ-OE2 3.12Å; R105-E118 IonicContact NE-OE2 2.76Å; R105-E118 PolarHBondContact NE-OE2 2.83Å; R105-E118 IonicContact NH2-OE2 2.66Å; R105-E118 PolarHBondContact NH2-OE2 3.41Å
106	Y	88.9	Confident	88.4	Confident	17 Å²	17	38.2 Å²	38.2	7%	0.067	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	124.3	-176.7	171.2	-116.5	0	0	0	111.2	L81 C95 I96 V108 Y116 I117 P155	L81-Y106 HydrophobicContact CD1-CD2 4.25Å; L81-Y106 HydrophobicContact CD1-CE2 3.63Å; C95-Y106 WeakPolarHBondContact O-CD2 3.46Å; I96-Y106 HydrophobicContact CB-CD2 4.13Å; Y106-V108 HydrophobicContact CD1-CG2 4.25Å; Y106-V108 HydrophobicContact CE1-CB 4.46Å; Y106-V108 HydrophobicContact CE1-CG2 3.55Å; Y106-Y116 CarbonylContact O-C 3.37Å; Y106-Y116 VanDerWaalsContact O-CA 3.25Å; Y106-Y116 WeakPolarHBondContact O-CA 3.37Å; Y106-Y116 WeakPolarHBondContact O-CB 3.41Å; Y106-I117 HydrophobicContact CD1-CD1 4.23Å; Y106-I117 PolarHBondContact N-O 3.3Å; Y106-I117 PolarHBondContact O-N 3.28Å; Y106-P155 HydrophobicContact CD1-CG 3.36Å; Y106-P155 HydrophobicContact CE1-CG 3.91Å; Y106-P155 HydrophobicContact CG-CG 4.01Å
107	W	90.2	Very high	88.3	Confident	0 Å²	0	39.1 Å²	39.1	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	117.9	170.5	-64.4	-94.1	0	0	0	109.5	L64 P65 G94 C95 V97 R105 K109 P113 Y116	L64-W107 HydrophobicContact CB-CH2 4.12Å; L64-W107 HydrophobicContact CB-CZ2 3.96Å; L64-W107 HydrophobicContact CD1-CB 4.35Å; L64-W107 HydrophobicContact CD1-CD2 3.67Å; L64-W107 HydrophobicContact CD1-CE3 3.74Å; L64-W107 HydrophobicContact CD1-CG 3.95Å; L64-W107 HydrophobicContact CD1-CZ3 4.18Å; L64-W107 HydrophobicContact CD2-CD2 4.38Å; L64-W107 HydrophobicContact CD2-CG 4.29Å; L64-W107 HydrophobicContact CG-CD2 4.45Å; P65-W107 VanDerWaalsContact O-CH2 3.28Å; P65-W107 WeakPolarHBondContact O-CH2 3.44Å; P65-W107 WeakPolarHBondContact O-CZ2 3.26Å; G94-W107 CarbonylContact C-O 3.57Å; G94-W107 VanDerWaalsContact CA-O 3.28Å; G94-W107 WeakPolarHBondContact CA-O 3.41Å; C95-W107 HydrophobicContact CB-CE3 4.14Å; C95-W107 PolarHBondContact N-O 3.22Å; C95-W107 PolarHBondContact O-N 2.9Å; V97-W107 HydrophobicContact CB-CZ3 4.23Å; V97-W107 HydrophobicContact CG1-CH2 3.84Å; V97-W107 HydrophobicContact CG1-CZ3 3.53Å; R105-W107 HydrophobicContact CB-CH2 4.27Å; R105-W107 HydrophobicContact CB-CZ3 4.32Å; R105-W107 HydrophobicContact CG-CD2 4.43Å; R105-W107 HydrophobicContact CG-CE3 4.33Å; R105-W107 HydrophobicContact CG-CH2 3.74Å; R105-W107 HydrophobicContact CG-CZ2 3.81Å; R105-W107 HydrophobicContact CG-CZ3 4.01Å; W107-K109 VanDerWaalsContact C-N 3.3Å; W107-P113 PolarHBondContact NE1-O 2.94Å; W107-Y116 AromaticContact NE1-CD1 3.9Å
108	V	84.4	Confident	88.1	Confident	45 Å²	45	43.1 Å²	43.1	27%	0.273	23%	0.231	S	C	.	.	S	Bend	trans	-62.8	-41.6	173.4	-179.2	0	0	0	0	110.4	G94 Y106 E157	G94-V108 WeakPolarHBondContact CA-O 3.41Å; Y106-V108 HydrophobicContact CD1-CG2 4.25Å; Y106-V108 HydrophobicContact CE1-CB 4.46Å; Y106-V108 HydrophobicContact CE1-CG2 3.55Å; V108-E157 WeakPolarHBondContact CG1-OE1 3.46Å
109	K	86	Confident	87.8	Confident	103 Å²	103	44.4 Å²	44.4	45%	0.448	24%	0.242	S	C	.	.			trans	-130.8	122.8	177.8	-64.1	-178.6	-178.1	-179.8	0	109.8	I92 W107 S111 Q112	I92-K109 HydrophobicContact CG2-CB 4.14Å; W107-K109 VanDerWaalsContact C-N 3.3Å; K109-S111 PolarHBondContact O-N 3.14Å; K109-Q112 PolarHBondContact O-N 3.44Å
110	A	87.5	Confident	87.5	Confident	3 Å²	3	49.8 Å²	49.8	3%	0.025	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-22.2	178.5	0	0	0	0	0	113.7	F51 Y62 P93 Q112	F51-A110 HydrophobicContact CE2-CB 3.95Å; F51-A110 HydrophobicContact CZ-CB 3.52Å; Y62-A110 HydrophobicContact CD1-CB 3.45Å; Y62-A110 VanDerWaalsContact CD1-CB 3.45Å; Y62-A110 HydrophobicContact CD2-CB 4.26Å; Y62-A110 HydrophobicContact CE1-CB 3.94Å; Y62-A110 HydrophobicContact CG-CB 3.62Å; P93-A110 HydrophobicContact CG-CB 4.02Å; P93-A110 WeakPolarHBondContact O-CB 3.27Å; P93-A110 PolarHBondContact O-N 2.98Å; A110-Q112 PolarHBondContact O-N 3.4Å
111	S	84.7	Confident	87.2	Confident	61 Å²	61	50.5 Å²	50.5	43%	0.427	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-12.9	174.6	59.5	0	0	0	0	114.1	K109 P113	K109-S111 PolarHBondContact O-N 3.14Å; S111-P113 VanDerWaalsContact O-CD 3.25Å; S111-P113 WeakPolarHBondContact O-CD 3.41Å
112	Q	87.6	Confident	86.9	Confident	92 Å²	92	51.8 Å²	51.8	43%	0.43	29%	0.289	S	S	.	.			trans	-116.2	76.8	-177.8	-62.6	-176.9	-10.2	0	0	111.2	K109 A110 S114 S115	K109-Q112 PolarHBondContact O-N 3.44Å; A110-Q112 PolarHBondContact O-N 3.4Å; Q112-S114 PolarHBondContact O-N 3Å; Q112-S114 VanDerWaalsContact O-N 3.13Å; Q112-S115 PolarHBondContact O-N 3.37Å
113	P	86.7	Confident	86.4	Confident	57 Å²	57	52.1 Å²	52.1	37%	0.37	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-27	-175.1	22.2	-33.3	0	0	0	114.2	L64 W107 S111	L64-P113 HydrophobicContact CD2-CB 3.9Å; W107-P113 PolarHBondContact NE1-O 2.94Å; S111-P113 VanDerWaalsContact O-CD 3.25Å; S111-P113 WeakPolarHBondContact O-CD 3.41Å
114	S	87.4	Confident	85.9	Confident	108 Å²	108	58.3 Å²	58.3	76%	0.755	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.1	-10.1	178	54.4	0	0	0	0	114.5	Q112	Q112-S114 PolarHBondContact O-N 3Å; Q112-S114 VanDerWaalsContact O-N 3.13Å
115	S	88	Confident	85.2	Confident	63 Å²	63	66.5 Å²	66.5	44%	0.441	36%	0.359	S	S	.	.			trans	-105	95.5	-178	-171	0	0	0	0	109.7	Q112	Q112-S115 PolarHBondContact O-N 3.37Å
116	Y	88.3	Confident	84.9	Confident	105 Å²	105	67.3 Å²	67.3	41%	0.412	36%	0.364	S	S	.	.			trans	-139.9	157.3	179.9	58.6	-94.9	0	0	0	112.4	R105 Y106 W107 E118	R105-Y116 HydrophobicContact CG-CD2 3.59Å; R105-Y116 HydrophobicContact CG-CE2 4.32Å; R105-Y116 HydrophobicContact CG-CG 3.77Å; Y106-Y116 CarbonylContact O-C 3.37Å; Y106-Y116 VanDerWaalsContact O-CA 3.25Å; Y106-Y116 WeakPolarHBondContact O-CA 3.37Å; Y106-Y116 WeakPolarHBondContact O-CB 3.41Å; W107-Y116 AromaticContact NE1-CD1 3.9Å; Y116-E118 HydrophobicContact CD2-CB 4.04Å; Y116-E118 HydrophobicContact CE2-CB 4.06Å
117	I	87.6	Confident	84.7	Confident	20 Å²	20	69.2 Å²	69.2	10%	0.103	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	128.4	168.5	-59.1	173.9	0	0	0	107	R105 Y106 P155 L162	R105-I117 CarbonylContact C-O 3.48Å; R105-I117 WeakPolarHBondContact CA-O 3.43Å; Y106-I117 HydrophobicContact CD1-CD1 4.23Å; Y106-I117 PolarHBondContact N-O 3.3Å; Y106-I117 PolarHBondContact O-N 3.28Å; I117-P155 HydrophobicContact CB-CG 4.36Å; I117-P155 HydrophobicContact CD1-CB 4Å; I117-P155 HydrophobicContact CD1-CG 3.92Å; I117-P155 HydrophobicContact CG2-CB 4.26Å; I117-P155 HydrophobicContact CG2-CG 4.18Å; I117-L162 HydrophobicContact CG2-CD1 4.42Å
118	E	87	Confident	84.6	Confident	86 Å²	86	69.4 Å²	69.4	40%	0.402	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	139.7	179.1	-174.7	168.6	111.3	0	0	110.8	V103 V104 R105 Y116	V103-E118 HydrophobicContact CG1-CG 3.79Å; V104-E118 CarbonylContact O-C 3.56Å; V104-E118 VanDerWaalsContact O-CA 3.26Å; V104-E118 WeakPolarHBondContact O-CA 3.48Å; R105-E118 IonicContact CZ-OE2 3.12Å; R105-E118 IonicContact NE-OE2 2.76Å; R105-E118 PolarHBondContact NE-OE2 2.83Å; R105-E118 IonicContact NH2-OE2 2.66Å; R105-E118 PolarHBondContact NH2-OE2 3.41Å; Y116-E118 HydrophobicContact CD2-CB 4.04Å; Y116-E118 HydrophobicContact CE2-CB 4.06Å
119	A	85.7	Confident	84.5	Confident	28 Å²	28	71.1 Å²	71.1	23%	0.231	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	162.1	168.5	0	0	0	0	0	111	V104 L162	V104-A119 PolarHBondContact N-O 2.92Å; V104-A119 PolarHBondContact O-N 2.88Å; A119-L162 HydrophobicContact CB-CB 3.74Å; A119-L162 HydrophobicContact CB-CD1 3.45Å; A119-L162 VanDerWaalsContact CB-CD1 3.45Å; A119-L162 HydrophobicContact CB-CG 4.19Å
120	T	83.8	Confident	84.4	Confident	113 Å²	113	66.3 Å²	66.3	69%	0.693	36%	0.362	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108.8	132.7	176.9	54.8	0	0	0	0	110.1	V103	V103-T120 HydrophobicContact CG2-CG2 4.2Å
121	I	83.4	Confident	84.2	Confident	18 Å²	18	66.2 Å²	66.2	9%	0.092	36%	0.361	C	S	.	.			trans	-100.2	131.7	175.6	-62.5	173.9	0	0	0	108	I98 G102 V104 V123 L152 P165	I98-I121 HydrophobicContact CD1-CD1 4Å; G102-I121 PolarHBondContact O-N 3.47Å; V104-I121 HydrophobicContact CG2-CD1 3.26Å; V104-I121 HydrophobicContact CG2-CG1 3.92Å; I121-V123 HydrophobicContact CG2-CG1 3.88Å; I121-V123 PolarHBondContact O-N 3.38Å; I121-V123 VanDerWaalsContact O-N 3.12Å; I121-L152 HydrophobicContact CD1-CD1 3.45Å; I121-L152 VanDerWaalsContact CD1-CD1 3.45Å; I121-L152 HydrophobicContact CD1-CD2 3.35Å; I121-L152 HydrophobicContact CD1-CG 4.02Å; I121-L152 HydrophobicContact CG1-CD2 4.41Å; I121-P165 HydrophobicContact CG2-CB 3.98Å; I121-P165 HydrophobicContact CG2-CG 3.88Å
122	D	80.4	Confident	84	Confident	124 Å²	124	63.5 Å²	63.5	66%	0.663	34%	0.342	S	S	*	.			trans	-76.8	96.2	168.5	-177.6	10.2	0	0	0	109.9	K124	D122-K124 VanDerWaalsContact C-N 3.28Å; D122-K124 PolarHBondContact OD1-N 3.2Å
123	V	77.9	Confident	83.4	Confident	7 Å²	7	61.4 Å²	61.4	4%	0.042	33%	0.333	C	S	.	.			trans	-89.9	22.6	172.8	-76.3	0	0	0	0	112.4	I121 N125 E126 L142 T144 Y150	I121-V123 HydrophobicContact CG2-CG1 3.88Å; I121-V123 PolarHBondContact O-N 3.38Å; I121-V123 VanDerWaalsContact O-N 3.12Å; V123-N125 VanDerWaalsContact C-N 3.26Å; V123-N125 PolarHBondContact O-N 3.18Å; V123-N125 VanDerWaalsContact O-N 3.12Å; V123-E126 WeakPolarHBondContact CG2-O 3.42Å; V123-E126 WeakPolarHBondContact O-CB 3.47Å; V123-E126 VanDerWaalsContact O-CG 3.24Å; V123-E126 WeakPolarHBondContact O-CG 3.02Å; V123-E126 PolarHBondContact O-N 3.06Å; V123-L142 HydrophobicContact CG1-CD2 3.97Å; V123-T144 HydrophobicContact CG1-CG2 4.35Å; V123-Y150 HydrophobicContact CG1-CE2 4.35Å
124	K	78.3	Confident	82.9	Confident	152 Å²	152	58.8 Å²	58.8	66%	0.661	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.7	38	174.6	-58.9	-178.2	179.9	174.9	0	114.7	D122 E126	D122-K124 VanDerWaalsContact C-N 3.28Å; D122-K124 PolarHBondContact OD1-N 3.2Å; K124-E126 PolarHBondContact O-N 3.02Å
125	N	75.5	Confident	81.9	Confident	173 Å²	173	55.4 Å²	55.4	93%	0.925	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.8	17.5	-174.6	-52.2	-34.8	0	0	0	115.3	V123	V123-N125 VanDerWaalsContact C-N 3.26Å; V123-N125 PolarHBondContact O-N 3.18Å; V123-N125 VanDerWaalsContact O-N 3.12Å
126	E	83.3	Confident	80.6	Confident	39 Å²	39	61.6 Å²	61.6	18%	0.182	31%	0.314	C	S	.	.	P	Polyproline II helix	trans	-82.6	156.6	168.9	-54.1	176.8	138.1	0	0	110.5	V123 K124 T144 S146 S148 Y150	V123-E126 WeakPolarHBondContact CG2-O 3.42Å; V123-E126 WeakPolarHBondContact O-CB 3.47Å; V123-E126 VanDerWaalsContact O-CG 3.24Å; V123-E126 WeakPolarHBondContact O-CG 3.02Å; V123-E126 PolarHBondContact O-N 3.06Å; K124-E126 PolarHBondContact O-N 3.02Å; E126-T144 HydrophobicContact CB-CG2 3.91Å; E126-T144 PolarHBondContact OE2-OG1 3.3Å; E126-S146 WeakPolarHBondContact CB-OG 3.38Å; E126-S146 WeakPolarHBondContact CG-OG 3.08Å; E126-S146 PolarHBondContact OE1-OG 3.06Å; E126-S148 PolarHBondContact OE1-OG 2.96Å; E126-S148 WeakPolarHBondContact OE2-CB 3.21Å; E126-S148 PolarHBondContact OE2-OG 3.43Å; E126-Y150 PolarHBondContact OE2-OH 2.97Å
127	V	85.7	Confident	79.6	Confident	57 Å²	57	58.6 Å²	58.6	35%	0.345	31%	0.306	S	S	.	.	P	Polyproline II helix	trans	-97.2	127.8	178.5	-179	0	0	0	0	109.4	L71 P100 K129 T144 S145	L71-V127 HydrophobicContact CD1-CG1 3.86Å; L71-V127 HydrophobicContact CD1-CG2 3.97Å; P100-V127 HydrophobicContact CB-CG1 3.92Å; P100-V127 CarbonylContact O-C 3.49Å; P100-V127 WeakPolarHBondContact O-CA 3.02Å; V127-K129 PolarHBondContact O-N 3.44Å; V127-T144 CarbonylContact O-C 3.55Å; V127-T144 WeakPolarHBondContact O-CA 3.27Å; V127-S145 PolarHBondContact O-N 2.86Å; V127-S145 PolarHBondContact O-OG 3.44Å
128	C	87.3	Confident	79	Confident	4 Å²	4	62.7 Å²	62.7	3%	0.027	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.6	128.6	173.4	-60.8	0	0	0	0	110.1	L77 I98 S99 P100 L142	L77-C128 HydrophobicContact CD2-CB 3.97Å; I98-C128 HydrophobicContact CD1-CB 4.44Å; I98-C128 HydrophobicContact CG2-CB 4.32Å; S99-C128 WeakPolarHBondContact O-CB 3.3Å; P100-C128 PolarHBondContact O-N 3.27Å; C128-L142 HydrophobicContact CB-CD1 3.85Å
129	K	83.3	Confident	78.7	Confident	80 Å²	80	58.6 Å²	58.6	35%	0.348	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	-43.3	-174.8	-176.2	167.6	178.3	171.7	0	114.2	L77 V127 A143 V197	L77-K129 WeakPolarHBondContact CD2-O 3.47Å; V127-K129 PolarHBondContact O-N 3.44Å; K129-A143 PolarHBondContact N-O 3.41Å; K129-V197 WeakPolarHBondContact CD-O 3.41Å; K129-V197 WeakPolarHBondContact CE-O 3.4Å; K129-V197 PolarHBondContact NZ-O 2.89Å
130	S	82.2	Confident	78.6	Confident	3 Å²	3	57.3 Å²	57.3	2%	0.021	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	145.2	-176.9	-168.7	0	0	0	0	112.2	A143	S130-A143 PolarHBondContact N-O 3.5Å; S130-A143 PolarHBondContact O-N 3.36Å
131	L	83.9	Confident	78.6	Confident	1 Å²	1	51.9 Å²	51.9	1%	0.005	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	134.4	176.9	-160.8	68.9	0	0	0	109.5	R33 D76 L79 I96 C140 L141 L142 L152	R33-L131 PolarHBondContact NH1-O 3.43Å; R33-L131 PolarHBondContact NH2-O 3.44Å; D76-L131 WeakPolarHBondContact O-CB 3.35Å; D76-L131 PolarHBondContact O-N 2.98Å; L79-L131 HydrophobicContact CD1-CB 4.46Å; L79-L131 HydrophobicContact CD1-CD2 3.66Å; L79-L131 HydrophobicContact CD1-CG 3.64Å; L79-L131 HydrophobicContact CG-CB 4.38Å; L79-L131 HydrophobicContact CG-CD2 3.79Å; L79-L131 HydrophobicContact CG-CG 3.98Å; I96-L131 HydrophobicContact CG2-CD2 4.14Å; L131-C140 HydrophobicContact CD1-CB 4.11Å; L131-C140 HydrophobicContact CG-CB 4.25Å; L131-L141 CarbonylContact C-O 3.57Å; L131-L141 WeakPolarHBondContact CA-O 3.48Å; L131-L142 HydrophobicContact CD1-CB 4.11Å; L131-L142 HydrophobicContact CD1-CD1 4.35Å; L131-L152 HydrophobicContact CD1-CD1 4.41Å
132	A	80.6	Confident	78.7	Confident	3 Å²	3	51 Å²	51	3%	0.025	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	138.9	176.3	0	0	0	0	0	111.3	C140 L141 P202	A132-C140 CarbonylContact O-C 3.51Å; A132-C140 VanDerWaalsContact O-CA 3.31Å; A132-C140 WeakPolarHBondContact O-CA 3.47Å; A132-C140 WeakPolarHBondContact O-CB 3.23Å; A132-L141 PolarHBondContact N-O 3.05Å; A132-L141 PolarHBondContact O-N 3.39Å; A132-P202 HydrophobicContact CB-CG 3.91Å
133	L	76.2	Confident	78.9	Confident	48 Å²	48	45.1 Å²	45.1	25%	0.251	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	129.3	176.8	-178.9	64.4	0	0	0	109.4	L79 L81 P135 F154 P202	L79-L133 HydrophobicContact CD1-CB 4Å; L79-L133 HydrophobicContact CD2-CB 4.16Å; L81-L133 HydrophobicContact CD2-CD1 3.69Å; L81-L133 HydrophobicContact CD2-CD2 4.16Å; L133-P135 WeakPolarHBondContact O-CD 3.37Å; L133-F154 HydrophobicContact CD1-CE2 3.76Å; L133-F154 HydrophobicContact CD1-CZ 3.61Å; L133-P202 WeakPolarHBondContact O-CG 3.26Å
134	L	74.7	Confident	79.2	Confident	2 Å²	2	44.8 Å²	44.8	1%	0.01	22%	0.219	C	C	.	.			trans	-80.3	115.6	167.4	-73.8	170.6	0	0	0	108.3	T137 C139 L151 P202 I212	L134-T137 WeakPolarHBondContact CB-OG1 3.49Å; L134-T137 PolarHBondContact O-N 2.95Å; L134-T137 PolarHBondContact O-OG1 2.96Å; L134-C139 HydrophobicContact CD1-CB 4.06Å; L134-C139 PolarHBondContact N-O 3.5Å; L134-C139 VanDerWaalsContact N-O 3.15Å; L134-L151 HydrophobicContact CD1-CD2 3.73Å; L134-P202 HydrophobicContact CD2-CB 3.83Å; L134-I212 HydrophobicContact CD1-CD1 4.06Å; L134-I212 HydrophobicContact CD2-CD1 3.65Å; L134-I212 HydrophobicContact CD2-CG1 3.76Å; L134-I212 HydrophobicContact CG-CD1 4.43Å
135	P	66.3	Low	79.2	Confident	38 Å²	38	39.3 Å²	39.3	25%	0.247	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.9	149.7	-178.6	-26	34.9	0	0	0	111.5	L133 T137 I204 Q210	L133-P135 WeakPolarHBondContact O-CD 3.37Å; P135-T137 WeakPolarHBondContact O-CG2 3.48Å; P135-T137 PolarHBondContact O-N 2.85Å; P135-I204 HydrophobicContact CB-CD1 3.95Å; P135-I204 HydrophobicContact CB-CG1 4.27Å; P135-I204 HydrophobicContact CG-CD1 3.91Å; P135-I204 HydrophobicContact CG-CG1 3.93Å; P135-Q210 PolarHBondContact O-NE2 3.24Å; P135-Q210 PolarHBondContact O-OE1 3.37Å
136	E	62.1	Low	79.1	Confident	193 Å²	193	33.5 Å²	33.5	90%	0.902	17%	0.173	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.6	3.3	174	-56.3	176.3	179	0	0	116.9
137	T	66.3	Low	78.6	Confident	41 Å²	41	32.3 Å²	32.3	25%	0.252	17%	0.171	S	C	.	.	S	Bend	trans	-118.9	151.8	178.8	71.7	0	0	0	0	110.2	L134 P135 C139	L134-T137 WeakPolarHBondContact CB-OG1 3.49Å; L134-T137 PolarHBondContact O-N 2.95Å; L134-T137 PolarHBondContact O-OG1 2.96Å; P135-T137 WeakPolarHBondContact O-CG2 3.48Å; P135-T137 PolarHBondContact O-N 2.85Å; T137-C139 PolarHBondContact O-N 2.9Å; T137-C139 VanDerWaalsContact O-N 3.09Å
138	R	74.4	Confident	78.3	Confident	107 Å²	107	31.3 Å²	31.3	40%	0.404	17%	0.167	S	C	.	.	S	Bend	trans	-83.7	49.3	169.1	-71.8	-112.9	-71.2	-145	-6.7	110.8	P153 F154 D156	R138-P153 CarbonylContact O-C 3.58Å; R138-P153 WeakPolarHBondContact O-CA 3.39Å; R138-F154 HydrophobicContact CB-CB 4.33Å; R138-F154 HydrophobicContact CB-CD2 3.88Å; R138-F154 HydrophobicContact CG-CD2 4.44Å; R138-F154 WeakPolarHBondContact O-CD2 3.34Å; R138-F154 PolarHBondContact O-N 2.64Å; R138-D156 IonicContact CZ-OD1 3.75Å; R138-D156 IonicContact NH2-OD1 2.67Å; R138-D156 PolarHBondContact NH2-OD1 2.94Å
139	C	81	Confident	78	Confident	0 Å²	0	31.4 Å²	31.4	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	145.3	-177.1	-168.9	0	0	0	0	111.5	L134 T137 L152 L229	L134-C139 HydrophobicContact CD1-CB 4.06Å; L134-C139 PolarHBondContact N-O 3.5Å; L134-C139 VanDerWaalsContact N-O 3.15Å; T137-C139 PolarHBondContact O-N 2.9Å; T137-C139 VanDerWaalsContact O-N 3.09Å; C139-L152 WeakPolarHBondContact CA-O 3.46Å; C139-L152 VanDerWaalsContact SG-C 3.59Å; C139-L152 PolarHBondContact SG-O 3.29Å; C139-L229 HydrophobicContact CB-CD2 3.85Å
140	C	83.8	Confident	78.1	Confident	0 Å²	0	28.2 Å²	28.2	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	155.9	168.1	59.7	0	0	0	0	110.7	L79 L131 A132 L152 F154	L79-C140 HydrophobicContact CD1-CB 3.66Å; L131-C140 HydrophobicContact CD1-CB 4.11Å; L131-C140 HydrophobicContact CG-CB 4.25Å; A132-C140 CarbonylContact O-C 3.51Å; A132-C140 VanDerWaalsContact O-CA 3.31Å; A132-C140 WeakPolarHBondContact O-CA 3.47Å; A132-C140 WeakPolarHBondContact O-CB 3.23Å; C140-L152 PolarHBondContact N-O 2.94Å; C140-L152 PolarHBondContact O-N 3.29Å; C140-L152 VanDerWaalsContact SG-CB 3.55Å; C140-L152 PolarHBondContact SG-O 3.35Å; C140-L152 VanDerWaalsContact SG-O 3.42Å; C140-F154 HydrophobicContact CB-CE1 4.01Å; C140-F154 HydrophobicContact CB-CZ 4.05Å
141	L	84.5	Confident	78.2	Confident	0 Å²	0	28 Å²	28	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	119.5	179.4	177.3	67.2	0	0	0	108.4	L131 A132 A149 Y150 L151 L168 V200 I212	L131-L141 CarbonylContact C-O 3.57Å; L131-L141 WeakPolarHBondContact CA-O 3.48Å; A132-L141 PolarHBondContact N-O 3.05Å; A132-L141 PolarHBondContact O-N 3.39Å; L141-A149 HydrophobicContact CD1-CB 4.25Å; L141-Y150 WeakPolarHBondContact CA-O 3.36Å; L141-L151 HydrophobicContact CD1-CD2 3.9Å; L141-L168 HydrophobicContact CD1-CD1 3.6Å; L141-V200 HydrophobicContact CD2-CG1 3.14Å; L141-V200 HydrophobicContact CG-CG1 3.89Å; L141-I212 HydrophobicContact CD1-CD1 4.34Å; L141-I212 HydrophobicContact CD1-CG2 4.34Å; L141-I212 HydrophobicContact CD2-CB 4.4Å; L141-I212 HydrophobicContact CD2-CD1 4.11Å; L141-I212 HydrophobicContact CD2-CG1 4.46Å; L141-I212 HydrophobicContact CD2-CG2 3.21Å; L141-I212 HydrophobicContact CG-CG2 4.42Å
142	L	85.7	Confident	78.3	Confident	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	129.9	176.2	170.9	66.4	0	0	0	109.6	I98 V123 C128 L131 A149 Y150 L152	I98-L142 HydrophobicContact CD1-CD1 3.83Å; I98-L142 HydrophobicContact CD1-CD2 3.54Å; I98-L142 HydrophobicContact CD1-CG 4.26Å; I98-L142 HydrophobicContact CG2-CD1 4.13Å; V123-L142 HydrophobicContact CG1-CD2 3.97Å; C128-L142 HydrophobicContact CB-CD1 3.85Å; L131-L142 HydrophobicContact CD1-CB 4.11Å; L131-L142 HydrophobicContact CD1-CD1 4.35Å; L142-A149 CarbonylContact O-C 3.58Å; L142-A149 WeakPolarHBondContact O-CA 3.45Å; L142-Y150 HydrophobicContact CD2-CD2 4.18Å; L142-Y150 HydrophobicContact CG-CD2 4.45Å; L142-Y150 PolarHBondContact N-O 3.35Å; L142-Y150 PolarHBondContact O-N 3.18Å; L142-L152 HydrophobicContact CB-CD1 3.75Å; L142-L152 HydrophobicContact CB-CG 4.17Å; L142-L152 HydrophobicContact CD2-CD1 4.1Å; L142-L152 HydrophobicContact CG-CD1 4.49Å
143	A	83.4	Confident	78.5	Confident	0 Å²	0	28.8 Å²	28.8	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	144.8	163	0	0	0	0	0	111.9	K129 S130 V197 V200	K129-A143 PolarHBondContact N-O 3.41Å; S130-A143 PolarHBondContact N-O 3.5Å; S130-A143 PolarHBondContact O-N 3.36Å; A143-V197 HydrophobicContact CB-CB 4.3Å; A143-V197 HydrophobicContact CB-CG1 3.79Å; A143-V197 HydrophobicContact CB-CG2 4.13Å; A143-V200 HydrophobicContact CB-CG2 3.23Å
144	T	84.3	Confident	78.6	Confident	0 Å²	0	27.1 Å²	27.1	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	164.2	174.7	58.9	0	0	0	0	111.5	V123 E126 V127 S146 S148 Y150 V197	V123-T144 HydrophobicContact CG1-CG2 4.35Å; E126-T144 HydrophobicContact CB-CG2 3.91Å; E126-T144 PolarHBondContact OE2-OG1 3.3Å; V127-T144 CarbonylContact O-C 3.55Å; V127-T144 WeakPolarHBondContact O-CA 3.27Å; T144-S146 PolarHBondContact O-N 3.01Å; T144-S146 PolarHBondContact OG1-OG 3.42Å; T144-S148 PolarHBondContact N-O 3.3Å; T144-S148 WeakPolarHBondContact OG1-CA 3.44Å; T144-S148 VanDerWaalsContact OG1-CB 3.32Å; T144-S148 WeakPolarHBondContact OG1-CB 3.44Å; T144-S148 PolarHBondContact OG1-N 3.08Å; T144-S148 PolarHBondContact OG1-O 3.44Å; T144-Y150 HydrophobicContact CG2-CD2 4.24Å; T144-Y150 HydrophobicContact CG2-CE2 3.68Å; T144-V197 WeakPolarHBondContact O-CB 3.31Å; T144-V197 WeakPolarHBondContact O-CG2 3.3Å
145	S	78.3	Confident	78.4	Confident	37 Å²	37	27 Å²	27	26%	0.259	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-20	176.8	57.7	0	0	0	0	113.5	V127 Y196	V127-S145 PolarHBondContact O-N 2.86Å; V127-S145 PolarHBondContact O-OG 3.44Å; S145-Y196 VanDerWaalsContact O-CA 3.25Å; S145-Y196 WeakPolarHBondContact O-CA 3.47Å; S145-Y196 WeakPolarHBondContact O-CD1 3.44Å
146	S	74.7	Confident	78.4	Confident	51 Å²	51	29.2 Å²	29.2	36%	0.357	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.3	5	-172.8	51.3	0	0	0	0	115.2	E126 T144 D195	E126-S146 WeakPolarHBondContact CB-OG 3.38Å; E126-S146 WeakPolarHBondContact CG-OG 3.08Å; E126-S146 PolarHBondContact OE1-OG 3.06Å; T144-S146 PolarHBondContact O-N 3.01Å; T144-S146 PolarHBondContact OG1-OG 3.42Å; S146-D195 CarbonylContact C-O 3.58Å; S146-D195 VanDerWaalsContact O-O 3.1Å
147	G	72.9	Confident	78.4	Confident	13 Å²	13	26.4 Å²	26.4	13%	0.134	14%	0.143	C	C	.	.	S	Bend	trans	102	-6.8	177.4	0	0	0	0	0	115.4	D195	G147-D195 PolarHBondContact N-O 3.42Å
148	S	78.4	Confident	78.2	Confident	37 Å²	37	29.9 Å²	29.9	26%	0.259	17%	0.169	S	C	.	.			trans	-84.6	140	-178.7	-56.3	0	0	0	0	111.4	E126 T144	E126-S148 PolarHBondContact OE1-OG 2.96Å; E126-S148 WeakPolarHBondContact OE2-CB 3.21Å; E126-S148 PolarHBondContact OE2-OG 3.43Å; T144-S148 PolarHBondContact N-O 3.3Å; T144-S148 WeakPolarHBondContact OG1-CA 3.44Å; T144-S148 VanDerWaalsContact OG1-CB 3.32Å; T144-S148 WeakPolarHBondContact OG1-CB 3.44Å; T144-S148 PolarHBondContact OG1-N 3.08Å; T144-S148 PolarHBondContact OG1-O 3.44Å
149	A	81.8	Confident	77.5	Confident	5 Å²	5	27 Å²	27	4%	0.041	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	143.2	177	0	0	0	0	0	111.6	L141 L142 L168	L141-A149 HydrophobicContact CD1-CB 4.25Å; L142-A149 CarbonylContact O-C 3.58Å; L142-A149 WeakPolarHBondContact O-CA 3.45Å; A149-L168 HydrophobicContact CB-CB 4.3Å; A149-L168 HydrophobicContact CB-CD1 4.06Å; A149-L168 WeakPolarHBondContact O-CB 3.46Å; A149-L168 PolarHBondContact O-N 3.43Å
150	Y	84.4	Confident	76.6	Confident	13 Å²	13	35.7 Å²	35.7	5%	0.051	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	135.1	-175.7	-56.2	-98.7	0	0	0	110.7	V123 E126 L141 L142 T144 I166 A167	V123-Y150 HydrophobicContact CG1-CE2 4.35Å; E126-Y150 PolarHBondContact OE2-OH 2.97Å; L141-Y150 WeakPolarHBondContact CA-O 3.36Å; L142-Y150 HydrophobicContact CD2-CD2 4.18Å; L142-Y150 HydrophobicContact CG-CD2 4.45Å; L142-Y150 PolarHBondContact N-O 3.35Å; L142-Y150 PolarHBondContact O-N 3.18Å; T144-Y150 HydrophobicContact CG2-CD2 4.24Å; T144-Y150 HydrophobicContact CG2-CE2 3.68Å; Y150-I166 CarbonylContact C-O 3.47Å; Y150-I166 WeakPolarHBondContact CA-O 3.43Å; Y150-A167 HydrophobicContact CD1-CB 3.76Å; Y150-A167 HydrophobicContact CE1-CB 3.73Å
151	L	85.5	Confident	75.7	Confident	0 Å²	0	45.7 Å²	45.7	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	129	166.8	-59.4	172.5	0	0	0	109.6	L134 L141 I166 L168 I212 V225	L134-L151 HydrophobicContact CD1-CD2 3.73Å; L141-L151 HydrophobicContact CD1-CD2 3.9Å; L151-I166 HydrophobicContact CB-CB 4.16Å; L151-I166 PolarHBondContact N-O 2.91Å; L151-I166 PolarHBondContact O-N 2.96Å; L151-L168 HydrophobicContact CD1-CD2 3.86Å; L151-L168 HydrophobicContact CD2-CD1 4.41Å; L151-L168 HydrophobicContact CG-CD1 4.35Å; L151-L168 HydrophobicContact CG-CD2 3.89Å; L151-L168 HydrophobicContact CG-CG 4.2Å; L151-I212 HydrophobicContact CD2-CD1 3.76Å; L151-V225 HydrophobicContact CD1-CG1 3.91Å; L151-V225 HydrophobicContact CD1-CG2 4.17Å; L151-V225 HydrophobicContact CD2-CG2 4.48Å
152	L	85.7	Confident	74.9	Confident	6 Å²	6	47.2 Å²	47.2	3%	0.031	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	100.2	-177.4	-58.8	-175.3	0	0	0	109.6	I98 V104 I121 L131 C139 C140 L142 P165	I98-L152 HydrophobicContact CD1-CD1 4.24Å; V104-L152 HydrophobicContact CG2-CD1 4.44Å; I121-L152 HydrophobicContact CD1-CD1 3.45Å; I121-L152 VanDerWaalsContact CD1-CD1 3.45Å; I121-L152 HydrophobicContact CD1-CD2 3.35Å; I121-L152 HydrophobicContact CD1-CG 4.02Å; I121-L152 HydrophobicContact CG1-CD2 4.41Å; L131-L152 HydrophobicContact CD1-CD1 4.41Å; C139-L152 WeakPolarHBondContact CA-O 3.46Å; C139-L152 VanDerWaalsContact SG-C 3.59Å; C139-L152 PolarHBondContact SG-O 3.29Å; C140-L152 PolarHBondContact N-O 2.94Å; C140-L152 PolarHBondContact O-N 3.29Å; C140-L152 VanDerWaalsContact SG-CB 3.55Å; C140-L152 PolarHBondContact SG-O 3.35Å; C140-L152 VanDerWaalsContact SG-O 3.42Å; L142-L152 HydrophobicContact CB-CD1 3.75Å; L142-L152 HydrophobicContact CB-CG 4.17Å; L142-L152 HydrophobicContact CD2-CD1 4.1Å; L142-L152 HydrophobicContact CG-CD1 4.49Å; L152-P165 HydrophobicContact CD2-CB 3.5Å; L152-P165 VanDerWaalsContact CD2-CB 3.5Å
153	P	83.2	Confident	74.1	Confident	14 Å²	14	49.8 Å²	49.8	9%	0.091	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	142.4	175.8	-14.8	30.3	0	0	0	110.3	R138 P163 L229	R138-P153 CarbonylContact O-C 3.58Å; R138-P153 WeakPolarHBondContact O-CA 3.39Å; P153-P163 HydrophobicContact CB-CB 3.93Å; P153-P163 HydrophobicContact CB-CG 3.93Å; P153-P163 HydrophobicContact CG-CB 3.92Å; P153-P163 HydrophobicContact CG-CG 4.48Å; P153-L229 HydrophobicContact CB-CD1 4.12Å; P153-L229 HydrophobicContact CG-CD1 3.67Å
154	F	79.8	Confident	73.6	Confident	12 Å²	12	57 Å²	57	5%	0.053	30%	0.303	C	S	.	.	P	Polyproline II helix	trans	-68.6	144.3	174.2	-61	-45.4	0	0	0	110.5	L81 I96 L133 R138 C140	L81-F154 HydrophobicContact CD1-CE1 4.33Å; L81-F154 HydrophobicContact CD1-CE2 4.4Å; L81-F154 HydrophobicContact CD1-CZ 4.2Å; L81-F154 HydrophobicContact CD2-CE1 4.48Å; L81-F154 HydrophobicContact CD2-CE2 3.97Å; L81-F154 HydrophobicContact CD2-CZ 3.69Å; I96-F154 HydrophobicContact CB-CE1 4.34Å; I96-F154 HydrophobicContact CD1-CD1 3.65Å; I96-F154 HydrophobicContact CD1-CE1 3.64Å; I96-F154 HydrophobicContact CG2-CE1 3.87Å; L133-F154 HydrophobicContact CD1-CE2 3.76Å; L133-F154 HydrophobicContact CD1-CZ 3.61Å; R138-F154 HydrophobicContact CB-CB 4.33Å; R138-F154 HydrophobicContact CB-CD2 3.88Å; R138-F154 HydrophobicContact CG-CD2 4.44Å; R138-F154 WeakPolarHBondContact O-CD2 3.34Å; R138-F154 PolarHBondContact O-N 2.64Å; C140-F154 HydrophobicContact CB-CE1 4.01Å; C140-F154 HydrophobicContact CB-CZ 4.05Å
155	P	70.8	Confident	73.3	Confident	0 Å²	0	59.1 Å²	59.1	0%	0	32%	0.317	C	S	.	.	P	Polyproline II helix	trans	-65	138.5	174.4	27.6	-33.2	0	0	0	110.7	Y106 I117 L162	Y106-P155 HydrophobicContact CD1-CG 3.36Å; Y106-P155 HydrophobicContact CE1-CG 3.91Å; Y106-P155 HydrophobicContact CG-CG 4.01Å; I117-P155 HydrophobicContact CB-CG 4.36Å; I117-P155 HydrophobicContact CD1-CB 4Å; I117-P155 HydrophobicContact CD1-CG 3.92Å; I117-P155 HydrophobicContact CG2-CB 4.26Å; I117-P155 HydrophobicContact CG2-CG 4.18Å; P155-L162 HydrophobicContact CB-CG 4.3Å; P155-L162 HydrophobicContact CG-CG 4.19Å
156	D	66.2	Low	73.5	Confident	84 Å²	84	59.4 Å²	59.4	45%	0.449	32%	0.315	S	S	.	.	P	Polyproline II helix	trans	-70.8	142	169	-74.9	-24.3	0	0	0	110.2	R138 S158 S159	R138-D156 IonicContact CZ-OD1 3.75Å; R138-D156 IonicContact NH2-OD1 2.67Å; R138-D156 PolarHBondContact NH2-OD1 2.94Å; D156-S158 PolarHBondContact O-N 2.99Å; D156-S159 CarbonylContact O-C 3.32Å; D156-S159 PolarHBondContact O-N 3.47Å; D156-S159 PolarHBondContact O-OG 3.08Å
157	E	62.3	Low	73.7	Confident	135 Å²	135	59 Å²	59	63%	0.631	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.8	-25.7	-179.7	-68.4	-167.7	166.8	0	0	113	V108	V108-E157 WeakPolarHBondContact CG1-OE1 3.46Å
158	S	61.5	Low	73.9	Confident	114 Å²	114	59.1 Å²	59.1	80%	0.797	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.5	-35.3	176.8	58.3	0	0	0	0	113.3	D156	D156-S158 PolarHBondContact O-N 2.99Å
159	S	58.4	Low	73.7	Confident	46 Å²	46	59.2 Å²	59.2	32%	0.322	31%	0.312	S	S	.	.			trans	-100.6	102.4	179.3	66.4	0	0	0	0	109	D156 R161	D156-S159 CarbonylContact O-C 3.32Å; D156-S159 PolarHBondContact O-N 3.47Å; D156-S159 PolarHBondContact O-OG 3.08Å; S159-R161 PolarHBondContact O-N 3.47Å
160	K	64.1	Low	73.1	Confident	182 Å²	182	62.5 Å²	62.5	79%	0.791	33%	0.334	S	S	*	.	S	Bend	trans	-65.1	26.7	170.5	-63.5	-173.6	177.9	-175.8	0	113.8
161	R	64.8	Low	71.7	Confident	210 Å²	210	68.4 Å²	68.4	79%	0.792	36%	0.362	S	S	*	.	S	Bend	trans	-126.1	135.9	178	-64.4	-169.4	-172.8	-159.4	3	109	S159	S159-R161 PolarHBondContact O-N 3.47Å
162	L	67.2	Low	70.1	Confident	32 Å²	32	71.2 Å²	71.2	17%	0.168	38%	0.382	C	S	.	.	P	Polyproline II helix	trans	-71.2	138	169.2	-94.7	128.2	0	0	0	110.3	V104 I117 A119 P155	V104-L162 HydrophobicContact CB-CD1 4.08Å; V104-L162 HydrophobicContact CG1-CD1 3.8Å; V104-L162 HydrophobicContact CG1-CD2 3.99Å; I117-L162 HydrophobicContact CG2-CD1 4.42Å; A119-L162 HydrophobicContact CB-CB 3.74Å; A119-L162 HydrophobicContact CB-CD1 3.45Å; A119-L162 VanDerWaalsContact CB-CD1 3.45Å; A119-L162 HydrophobicContact CB-CG 4.19Å; P155-L162 HydrophobicContact CB-CG 4.3Å; P155-L162 HydrophobicContact CG-CG 4.19Å
163	P	68.9	Low	68.1	Low	55 Å²	55	76 Å²	76	36%	0.357	40%	0.404	S	S	.	.	P	Polyproline II helix	trans	-58.6	153.4	168	-26.8	38.7	0	0	0	111.9	P153	P153-P163 HydrophobicContact CB-CB 3.93Å; P153-P163 HydrophobicContact CB-CG 3.93Å; P153-P163 HydrophobicContact CG-CB 3.92Å; P153-P163 HydrophobicContact CG-CG 4.48Å
164	L	73.2	Confident	66.1	Low	151 Å²	151	77.2 Å²	77.2	79%	0.791	42%	0.42	S	S	*	.	P	Polyproline II helix	trans	-62.4	137.3	178.2	-77	162.5	0	0	0	110.8
165	P	77.1	Confident	64.3	Low	44 Å²	44	83 Å²	83	29%	0.286	46%	0.456	S	S	.	.	P	Polyproline II helix	trans	-65	138.5	176.6	31.1	-39.5	0	0	0	111.1	I121 L152	I121-P165 HydrophobicContact CG2-CB 3.98Å; I121-P165 HydrophobicContact CG2-CG 3.88Å; L152-P165 HydrophobicContact CD2-CB 3.5Å; L152-P165 VanDerWaalsContact CD2-CB 3.5Å
166	I	81.9	Confident	62.8	Low	43 Å²	43	90 Å²	90	22%	0.221	49%	0.492	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	107.5	175.8	-52.9	169.1	0	0	0	108.4	Y150 L151 L168 L229 Y231	Y150-I166 CarbonylContact C-O 3.47Å; Y150-I166 WeakPolarHBondContact CA-O 3.43Å; L151-I166 HydrophobicContact CB-CB 4.16Å; L151-I166 PolarHBondContact N-O 2.91Å; L151-I166 PolarHBondContact O-N 2.96Å; I166-L168 PolarHBondContact O-N 3.2Å; I166-L229 HydrophobicContact CD1-CB 3.85Å; I166-L229 HydrophobicContact CD1-CD1 4.43Å; I166-Y231 HydrophobicContact CG2-CD1 4.25Å; I166-Y231 HydrophobicContact CG2-CE1 3.96Å
167	A	80.7	Confident	61.6	Low	43 Å²	43	88 Å²	88	36%	0.355	49%	0.487	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	125.4	175.6	0	0	0	0	0	111	Y150 Y231	Y150-A167 HydrophobicContact CD1-CB 3.76Å; Y150-A167 HydrophobicContact CE1-CB 3.73Å; A167-Y231 PolarHBondContact O-OH 2.9Å
168	L	76.6	Confident	60.2	Low	16 Å²	16	88.3 Å²	88.3	8%	0.084	49%	0.489	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	120.6	174.1	-63.2	-179.4	0	0	0	109.6	L141 A149 L151 I166 Y231	L141-L168 HydrophobicContact CD1-CD1 3.6Å; A149-L168 HydrophobicContact CB-CB 4.3Å; A149-L168 HydrophobicContact CB-CD1 4.06Å; A149-L168 WeakPolarHBondContact O-CB 3.46Å; A149-L168 PolarHBondContact O-N 3.43Å; L151-L168 HydrophobicContact CD1-CD2 3.86Å; L151-L168 HydrophobicContact CD2-CD1 4.41Å; L151-L168 HydrophobicContact CG-CD1 4.35Å; L151-L168 HydrophobicContact CG-CD2 3.89Å; L151-L168 HydrophobicContact CG-CG 4.2Å; I166-L168 PolarHBondContact O-N 3.2Å; L168-Y231 HydrophobicContact CD2-CD1 3.44Å; L168-Y231 VanDerWaalsContact CD2-CD1 3.44Å; L168-Y231 HydrophobicContact CD2-CD2 3.86Å; L168-Y231 HydrophobicContact CD2-CE1 3.89Å; L168-Y231 HydrophobicContact CD2-CE2 4.29Å; L168-Y231 HydrophobicContact CD2-CG 3.43Å; L168-Y231 VanDerWaalsContact CD2-CG 3.43Å
169	T	73.8	Confident	59	Low	38 Å²	38	87.6 Å²	87.6	23%	0.233	48%	0.479	C	S	.	.			trans	-111.4	160.2	177.9	59.1	0	0	0	0	111.5	H171 W223 Y231	T169-H171 PolarHBondContact O-N 3Å; T169-H171 PolarHBondContact OG1-O 3.42Å; T169-W223 PolarHBondContact O-NE1 3.06Å; T169-W223 VanDerWaalsContact O-NE1 3.13Å; T169-Y231 PolarHBondContact N-OH 3.01Å; T169-Y231 PolarHBondContact OG1-OH 3.48Å
170	S	68.3	Low	58	Low	74 Å²	74	88.4 Å²	88.4	52%	0.517	49%	0.489	S	S	.	.	S	Bend	trans	-67.2	-12	169	52.1	0	0	0	0	113.3	F233	S170-F233 WeakPolarHBondContact O-CD1 3.33Å
171	H	56.3	Low	56.8	Low	137 Å²	137	87.8 Å²	87.8	63%	0.634	48%	0.481	S	S	*	.	S	Bend	trans	-90.9	127.6	170.4	-56.3	-69.6	0	0	0	110	T169	T169-H171 PolarHBondContact O-N 3Å; T169-H171 PolarHBondContact OG1-O 3.42Å
172	S	51.6	Low	55.5	Low	60 Å²	60	88.1 Å²	88.1	42%	0.42	48%	0.482	S	S	.	.			trans	-68	146.1	173.1	50.9	0	0	0	0	111.1	G174	S172-G174 PolarHBondContact O-N 3.24Å; S172-G174 VanDerWaalsContact O-N 3.15Å
173	Q	44.3	Very low	53.7	Low	105 Å²	105	95.2 Å²	95.2	49%	0.491	51%	0.512	S	S	.	.			trans	-74.1	104.4	171.1	-72.2	-170.8	-4.3	0	0	109.5	Y231	Q173-Y231 HydrophobicContact CG-CE1 4.02Å
174	G	40.6	Very low	51.9	Low	41 Å²	41	97.3 Å²	97.3	42%	0.423	53%	0.528	S	S	.	.			trans	-136.1	143.9	168.4	0	0	0	0	0	109.1	S172 I176 A177	S172-G174 PolarHBondContact O-N 3.24Å; S172-G174 VanDerWaalsContact O-N 3.15Å; G174-I176 PolarHBondContact O-N 3.05Å; G174-A177 WeakPolarHBondContact O-CB 3.44Å; G174-A177 PolarHBondContact O-N 3.28Å
175	T	40.7	Very low	50.1	Low	134 Å²	134	95.5 Å²	95.5	82%	0.822	53%	0.528	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.5	-8.3	-171.6	30.6	0	0	0	0	116.1
176	I	40.8	Very low	48.2	Very low	147 Å²	147	100 Å²	100	75%	0.754	55%	0.548	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.1	-16.4	174.3	-59.3	172.7	0	0	0	112.3	G174 V179	G174-I176 PolarHBondContact O-N 3.05Å; I176-V179 PolarHBondContact O-N 3.33Å
177	A	39.9	Very low	46.1	Very low	41 Å²	41	107.1 Å²	107.1	34%	0.339	58%	0.578	S	S	.	*	H	α-helix	trans	-75.7	-20.6	178	0	0	0	0	0	113.7	G174 V179 A180 R181	G174-A177 WeakPolarHBondContact O-CB 3.44Å; G174-A177 PolarHBondContact O-N 3.28Å; A177-V179 VanDerWaalsContact C-N 3.29Å; A177-V179 PolarHBondContact O-N 3.04Å; A177-A180 PolarHBondContact O-N 3.41Å; A177-R181 PolarHBondContact O-N 3Å
178	E	33.8	Very low	43.8	Very low	142 Å²	142	110.9 Å²	110.9	66%	0.664	60%	0.596	S	S	*	*	H	α-helix	trans	-67.4	-29.1	174	-79.7	-172.5	149.8	0	0	112.8
179	V	36.1	Very low	41.5	Very low	99 Å²	99	115.5 Å²	115.5	60%	0.6	63%	0.627	S	S	*	*	H	α-helix	trans	-76.1	-35.1	177.2	-177.8	0	0	0	0	110.9	I176 A177 R181 R182	I176-V179 PolarHBondContact O-N 3.33Å; A177-V179 VanDerWaalsContact C-N 3.29Å; A177-V179 PolarHBondContact O-N 3.04Å; V179-R181 VanDerWaalsContact C-N 3.27Å; V179-R181 PolarHBondContact O-N 2.93Å; V179-R182 PolarHBondContact O-N 3.49Å; V179-R182 VanDerWaalsContact O-N 3.14Å
180	A	37.3	Very low	39.7	Very low	63 Å²	63	119 Å²	119	52%	0.521	65%	0.651	S	S	.	*	H	α-helix	trans	-65.5	-28.1	176.5	0	0	0	0	0	112.9	A177 R182 F183 S184	A177-A180 PolarHBondContact O-N 3.41Å; A180-R182 PolarHBondContact O-N 3.37Å; A180-F183 PolarHBondContact O-N 2.89Å; A180-S184 PolarHBondContact O-OG 3.43Å
181	R	39.8	Very low	38	Very low	169 Å²	169	121.3 Å²	121.3	64%	0.638	66%	0.662	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.9	-20.2	173.8	-80.8	-175.4	177.3	163.1	0.2	113.9	A177 V179	A177-R181 PolarHBondContact O-N 3Å; V179-R181 VanDerWaalsContact C-N 3.27Å; V179-R181 PolarHBondContact O-N 2.93Å
182	R	36.2	Very low	37.1	Very low	216 Å²	216	126.6 Å²	126.6	82%	0.815	68%	0.676	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.3	-9.1	179.2	-75.3	-168.8	176.9	-171.7	0.6	114.6	V179 A180	V179-R182 PolarHBondContact O-N 3.49Å; V179-R182 VanDerWaalsContact O-N 3.14Å; A180-R182 PolarHBondContact O-N 3.37Å
183	F	30.9	Very low	36.8	Very low	182 Å²	182	129.1 Å²	129.1	80%	0.798	68%	0.682	S	S	*	*	T	Hydrogen-bonded Turn	trans	-131	11.6	-174.3	-78.2	-73.9	0	0	0	116.9	A180	A180-F183 PolarHBondContact O-N 2.89Å
184	S	29.3	Very low	36.9	Very low	98 Å²	98	130.9 Å²	130.9	69%	0.685	69%	0.69	S	S	*	*			trans	-105.4	59.7	173.9	44	0	0	0	0	112.8	A180	A180-S184 PolarHBondContact O-OG 3.43Å
185	S	36.3	Very low	37.3	Very low	113 Å²	113	130.3 Å²	130.3	79%	0.79	68%	0.677	S	S	*	*	S	Bend	trans	-103.4	7.8	166.9	60.9	0	0	0	0	114.2
186	I	37.8	Very low	38	Very low	138 Å²	138	129.7 Å²	129.7	71%	0.708	66%	0.66	S	S	*	*	S	Bend	trans	-120.4	-5.7	-169	-65.7	-179.6	0	0	0	115.8
187	F	36.4	Very low	38.5	Very low	194 Å²	194	122.7 Å²	122.7	85%	0.851	63%	0.625	S	S	*	*	S	Bend	trans	-105.3	113.9	-179.4	-78.9	-84.7	0	0	0	113.3
188	V	34.1	Very low	39.3	Very low	121 Å²	121	121.5 Å²	121.5	73%	0.733	61%	0.614	S	S	*	*			trans	11.8	117.1	158.7	-173.3	0	0	0	0	114.7	P190	V188-P190 WeakPolarHBondContact O-CD 3.47Å; V188-P190 VanDerWaalsContact O-N 3.15Å
189	P	28.3	Very low	40.6	Very low	113 Å²	113	115.1 Å²	115.1	73%	0.734	59%	0.585	S	S	*	*			trans	-60.2	124.8	177.3	26	-30.4	0	0	0	108	T191	P189-T191 PolarHBondContact O-N 2.94Å
190	P	34.2	Very low	41.5	Very low	113 Å²	113	110.6 Å²	110.6	73%	0.734	56%	0.557	S	S	*	*			trans	-55.3	133.3	167.3	24.4	-30.2	0	0	0	106.1	V188 R192	V188-P190 WeakPolarHBondContact O-CD 3.47Å; V188-P190 VanDerWaalsContact O-N 3.15Å; P190-R192 PolarHBondContact O-N 3.47Å
191	T	32.7	Very low	42.6	Very low	122 Å²	122	109 Å²	109	75%	0.748	54%	0.538	S	S	*	.			trans	-40.2	113.1	169.1	36.7	0	0	0	0	107.4	P189 Q193	P189-T191 PolarHBondContact O-N 2.94Å; T191-Q193 PolarHBondContact O-N 3.05Å
192	R	37.3	Very low	43.2	Very low	247 Å²	247	102.6 Å²	102.6	93%	0.932	52%	0.519	S	S	*	.			trans	-60.7	92.8	176.9	-81.2	-174.4	176	-177.4	-2	106.7	P190	P190-R192 PolarHBondContact O-N 3.47Å
193	Q	46.3	Very low	44	Very low	114 Å²	114	93.2 Å²	93.2	53%	0.533	49%	0.49	S	S	.	.			trans	-75.4	122.4	161.5	-73.6	-177.8	-5.4	0	0	105.2	T191 D195	T191-Q193 PolarHBondContact O-N 3.05Å; Q193-D195 VanDerWaalsContact C-N 3.28Å; Q193-D195 PolarHBondContact O-N 3.2Å
194	E	45.3	Very low	44.7	Very low	142 Å²	142	89.5 Å²	89.5	66%	0.664	48%	0.477	S	S	*	.			trans	-71.1	89	177.3	-64.8	-178.4	164.5	0	0	108.5	Y196	E194-Y196 HydrophobicContact CB-CD2 4.4Å; E194-Y196 HydrophobicContact CB-CE2 3.63Å; E194-Y196 WeakPolarHBondContact O-CD2 3.32Å; E194-Y196 PolarHBondContact O-N 3.33Å; E194-Y196 PolarHBondContact OE2-OH 3.44Å
195	D	49.8	Very low	45.6	Very low	29 Å²	29	86.7 Å²	86.7	16%	0.155	46%	0.456	C	S	.	.			trans	-80.7	106.3	169.9	-76.6	-20	0	0	0	108.5	S146 G147 Q193 S218 R221	S146-D195 CarbonylContact C-O 3.58Å; S146-D195 VanDerWaalsContact O-O 3.1Å; G147-D195 PolarHBondContact N-O 3.42Å; Q193-D195 VanDerWaalsContact C-N 3.28Å; Q193-D195 PolarHBondContact O-N 3.2Å; D195-S218 WeakPolarHBondContact OD1-CB 3.41Å; D195-S218 PolarHBondContact OD1-OG 2.87Å; D195-R221 IonicContact OD2-NH2 3.04Å; D195-R221 PolarHBondContact OD2-NH2 2.94Å
196	Y	54.6	Low	46.1	Very low	120 Å²	120	87 Å²	87	47%	0.471	46%	0.455	S	S	.	.			trans	-82.2	134.8	172.3	-60.5	-86.5	0	0	0	110.6	S145 E194 S217	S145-Y196 VanDerWaalsContact O-CA 3.25Å; S145-Y196 WeakPolarHBondContact O-CA 3.47Å; S145-Y196 WeakPolarHBondContact O-CD1 3.44Å; E194-Y196 HydrophobicContact CB-CD2 4.4Å; E194-Y196 HydrophobicContact CB-CE2 3.63Å; E194-Y196 WeakPolarHBondContact O-CD2 3.32Å; E194-Y196 PolarHBondContact O-N 3.33Å; E194-Y196 PolarHBondContact OE2-OH 3.44Å; Y196-S217 PolarHBondContact N-OG 3.3Å; Y196-S217 WeakPolarHBondContact O-CB 3.3Å; Y196-S217 PolarHBondContact O-N 2.85Å; Y196-S217 PolarHBondContact O-OG 2.78Å
197	V	52	Low	46.5	Very low	1 Å²	1	85.6 Å²	85.6	1%	0.006	45%	0.453	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	130.6	167.9	-176.7	0	0	0	0	108.3	K129 A143 T144 V200 T214 L216	K129-V197 WeakPolarHBondContact CD-O 3.41Å; K129-V197 WeakPolarHBondContact CE-O 3.4Å; K129-V197 PolarHBondContact NZ-O 2.89Å; A143-V197 HydrophobicContact CB-CB 4.3Å; A143-V197 HydrophobicContact CB-CG1 3.79Å; A143-V197 HydrophobicContact CB-CG2 4.13Å; T144-V197 WeakPolarHBondContact O-CB 3.31Å; T144-V197 WeakPolarHBondContact O-CG2 3.3Å; V197-V200 HydrophobicContact CG1-CG2 3.9Å; V197-T214 HydrophobicContact CG1-CG2 4.14Å; V197-L216 HydrophobicContact CB-CD2 4.09Å; V197-L216 HydrophobicContact CG1-CD2 4.33Å; V197-L216 HydrophobicContact CG2-CD2 3.5Å; V197-L216 VanDerWaalsContact CG2-CD2 3.5Å
198	S	57.4	Low	47.1	Very low	16 Å²	16	82.8 Å²	82.8	11%	0.112	45%	0.447	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	-51.2	170.1	58.1	0	0	0	0	110.1	V215	S198-V215 PolarHBondContact N-O 2.7Å; S198-V215 VanDerWaalsContact N-O 3.08Å; S198-V215 WeakPolarHBondContact OG-CG1 3.29Å; S198-V215 PolarHBondContact OG-O 2.62Å
199	T	60.7	Low	48.1	Very low	8 Å²	8	77.7 Å²	77.7	5%	0.049	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.9	156.7	-170.7	19.1	0	0	0	0	111.7	F201 V215 D277 A278	T199-F201 HydrophobicContact CG2-CZ 4.05Å; T199-V215 PolarHBondContact N-O 3.37Å; T199-V215 PolarHBondContact O-N 2.95Å; T199-V215 VanDerWaalsContact O-O 3.07Å; T199-D277 WeakPolarHBondContact CG2-OD1 3.44Å; T199-D277 PolarHBondContact OG1-OD1 3.11Å; T199-A278 PolarHBondContact OG1-N 3.2Å
200	V	55.9	Low	49.7	Very low	4 Å²	4	73.5 Å²	73.5	2%	0.024	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	132.6	-179	-173.7	0	0	0	0	110.6	L141 A143 V197 T214	L141-V200 HydrophobicContact CD2-CG1 3.14Å; L141-V200 HydrophobicContact CG-CG1 3.89Å; A143-V200 HydrophobicContact CB-CG2 3.23Å; V197-V200 HydrophobicContact CG1-CG2 3.9Å; V200-T214 HydrophobicContact CG2-CG2 4.06Å
201	F	59.8	Low	50.9	Low	28 Å²	28	68.2 Å²	68.2	12%	0.123	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	119.6	-178.4	-55.7	-73.4	0	0	0	111.6	T199 L213 V215 A278 S280	T199-F201 HydrophobicContact CG2-CZ 4.05Å; F201-L213 PolarHBondContact N-O 2.9Å; F201-L213 PolarHBondContact O-N 3.4Å; F201-V215 HydrophobicContact CD2-CG2 3.87Å; F201-V215 HydrophobicContact CE2-CB 4.46Å; F201-V215 HydrophobicContact CE2-CG2 3.7Å; F201-A278 HydrophobicContact CE2-CB 3.57Å; F201-A278 HydrophobicContact CZ-CB 3.94Å; F201-A278 WeakPolarHBondContact CZ-O 3.36Å; F201-S280 VanDerWaalsContact CB-OG 3.29Å; F201-S280 WeakPolarHBondContact CB-OG 3.47Å; F201-S280 WeakPolarHBondContact CD1-OG 3.15Å; F201-S280 WeakPolarHBondContact CG-OG 3.48Å
202	P	51.6	Low	52.3	Low	35 Å²	35	62.4 Å²	62.4	23%	0.227	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	121.4	162.7	29.4	-24.8	0	0	0	108.6	A132 L133 L134	A132-P202 HydrophobicContact CB-CG 3.91Å; L133-P202 WeakPolarHBondContact O-CG 3.26Å; L134-P202 HydrophobicContact CD2-CB 3.83Å
203	G	53.5	Low	53.5	Low	20 Å²	20	51.2 Å²	51.2	21%	0.206	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	139.3	176.3	0	0	0	0	0	111.9	L211	G203-L211 CarbonylContact C-O 3.55Å; G203-L211 WeakPolarHBondContact CA-O 3.38Å; G203-L211 PolarHBondContact N-O 2.79Å; G203-L211 PolarHBondContact O-N 3.36Å
204	I	45.2	Very low	54.3	Low	104 Å²	104	45.8 Å²	45.8	53%	0.533	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	125.8	174.6	-56.5	172	0	0	0	108.1	P135	P135-I204 HydrophobicContact CB-CD1 3.95Å; P135-I204 HydrophobicContact CB-CG1 4.27Å; P135-I204 HydrophobicContact CG-CD1 3.91Å; P135-I204 HydrophobicContact CG-CG1 3.93Å
205	V	48.1	Very low	55.2	Low	39 Å²	39	39.1 Å²	39.1	24%	0.236	22%	0.221	C	C	.	.			trans	-118.9	133.4	164.3	170.6	0	0	0	0	108.4	T207 L211 E310	V205-T207 PolarHBondContact O-N 3.44Å; V205-T207 VanDerWaalsContact O-N 3.09Å; V205-L211 HydrophobicContact CB-CD1 4.02Å; V205-L211 HydrophobicContact CB-CG 4.19Å; V205-L211 HydrophobicContact CG2-CB 4.45Å; V205-L211 HydrophobicContact CG2-CD1 3.35Å; V205-L211 HydrophobicContact CG2-CG 3.92Å; V205-E310 HydrophobicContact CG1-CG 4.46Å
206	P	46.6	Very low	55.9	Low	118 Å²	118	37.8 Å²	37.8	77%	0.766	21%	0.214	S	C	*	.	S	Bend	trans	-85.5	19.5	-150.2	30.9	-35.9	0	0	0	116.9
207	T	46.6	Very low	56.4	Low	109 Å²	109	33 Å²	33	67%	0.669	20%	0.198	S	C	*	.	S	Bend	trans	-129.3	-23	-172.8	54.9	0	0	0	0	120.3	V205	V205-T207 PolarHBondContact O-N 3.44Å; V205-T207 VanDerWaalsContact O-N 3.09Å
208	N	49.2	Very low	57.2	Low	136 Å²	136	33.2 Å²	33.2	73%	0.727	20%	0.2	S	C	*	.	S	Bend	trans	-173.6	40.8	173.1	-96.9	-28.7	0	0	0	115.1
209	G	54.1	Low	58	Low	14 Å²	14	32.7 Å²	32.7	14%	0.144	20%	0.196	C	C	.	.	S	Bend	trans	150.7	162.2	178.7	0	0	0	0	0	111.7
210	Q	62.7	Low	58.8	Low	24 Å²	24	32.4 Å²	32.4	11%	0.112	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	139.9	-178.8	-69.1	-179.6	1.4	0	0	110.4	P135 K224 V225	P135-Q210 PolarHBondContact O-NE2 3.24Å; P135-Q210 PolarHBondContact O-OE1 3.37Å; Q210-K224 WeakPolarHBondContact O-CA 3.4Å; Q210-V225 PolarHBondContact N-O 3.31Å; Q210-V225 PolarHBondContact O-N 3.09Å
211	L	58.9	Low	59.8	Low	2 Å²	2	35.3 Å²	35.3	1%	0.01	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	125.7	173.4	-67.6	-175.9	0	0	0	109.4	G203 V205 W223 K224 L234 E310	G203-L211 CarbonylContact C-O 3.55Å; G203-L211 WeakPolarHBondContact CA-O 3.38Å; G203-L211 PolarHBondContact N-O 2.79Å; G203-L211 PolarHBondContact O-N 3.36Å; V205-L211 HydrophobicContact CB-CD1 4.02Å; V205-L211 HydrophobicContact CB-CG 4.19Å; V205-L211 HydrophobicContact CG2-CB 4.45Å; V205-L211 HydrophobicContact CG2-CD1 3.35Å; V205-L211 HydrophobicContact CG2-CG 3.92Å; L211-W223 CarbonylContact C-O 3.04Å; L211-W223 WeakPolarHBondContact CA-O 3.39Å; L211-K224 HydrophobicContact CD2-CB 3.92Å; L211-K224 HydrophobicContact CD2-CG 4.13Å; L211-L234 HydrophobicContact CD2-CD1 3.43Å; L211-L234 VanDerWaalsContact CD2-CD1 3.43Å; L211-E310 HydrophobicContact CD1-CG 3.69Å; L211-E310 HydrophobicContact CD2-CG 3.98Å; L211-E310 HydrophobicContact CG-CG 4.23Å
212	I	62.6	Low	60.8	Low	0 Å²	0	34 Å²	34	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	115.3	175	-63.7	-170.9	0	0	0	107.8	L134 L141 L151 C222 W223 V225	L134-I212 HydrophobicContact CD1-CD1 4.06Å; L134-I212 HydrophobicContact CD2-CD1 3.65Å; L134-I212 HydrophobicContact CD2-CG1 3.76Å; L134-I212 HydrophobicContact CG-CD1 4.43Å; L141-I212 HydrophobicContact CD1-CD1 4.34Å; L141-I212 HydrophobicContact CD1-CG2 4.34Å; L141-I212 HydrophobicContact CD2-CB 4.4Å; L141-I212 HydrophobicContact CD2-CD1 4.11Å; L141-I212 HydrophobicContact CD2-CG1 4.46Å; L141-I212 HydrophobicContact CD2-CG2 3.21Å; L141-I212 HydrophobicContact CG-CG2 4.42Å; L151-I212 HydrophobicContact CD2-CD1 3.76Å; I212-C222 CarbonylContact O-C 3.54Å; I212-C222 WeakPolarHBondContact O-CA 3.41Å; I212-W223 HydrophobicContact CB-CB 4.37Å; I212-W223 PolarHBondContact N-O 3.34Å; I212-W223 PolarHBondContact O-N 3.24Å; I212-V225 HydrophobicContact CD1-CB 3.86Å; I212-V225 HydrophobicContact CD1-CG2 3.18Å; I212-V225 HydrophobicContact CG1-CB 4.3Å; I212-V225 HydrophobicContact CG1-CG2 3.81Å
213	L	63	Low	62.1	Low	12 Å²	12	32.8 Å²	32.8	6%	0.063	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	119.3	174.4	-80.7	146.2	0	0	0	109	F201 R221 C222 W235 V285 C308	F201-L213 PolarHBondContact N-O 2.9Å; F201-L213 PolarHBondContact O-N 3.4Å; L213-R221 WeakPolarHBondContact CA-O 3Å; L213-C222 HydrophobicContact CD2-CB 3.91Å; L213-C222 HydrophobicContact CG-CB 4.48Å; L213-W235 HydrophobicContact CD2-CH2 3.49Å; L213-W235 VanDerWaalsContact CD2-CH2 3.49Å; L213-W235 HydrophobicContact CD2-CZ2 3.85Å; L213-W235 HydrophobicContact CD2-CZ3 4.39Å; L213-V285 HydrophobicContact CD1-CG2 3.98Å; L213-C308 HydrophobicContact CD1-CB 3.55Å; L213-C308 HydrophobicContact CD2-CB 3.92Å; L213-C308 HydrophobicContact CG-CB 4.37Å
214	T	63	Low	63.3	Low	1 Å²	1	33.1 Å²	33.1	1%	0.006	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	128.9	171.1	-55.6	0	0	0	0	109	V197 V200 L216 R221 W223	V197-T214 HydrophobicContact CG1-CG2 4.14Å; V200-T214 HydrophobicContact CG2-CG2 4.06Å; T214-L216 HydrophobicContact CG2-CD2 3.81Å; T214-L216 HydrophobicContact CG2-CG 4.3Å; T214-R221 PolarHBondContact N-O 3.45Å; T214-R221 PolarHBondContact O-N 3.27Å; T214-W223 WeakPolarHBondContact OG1-CZ3 3.48Å
215	V	63.3	Low	64.8	Low	1 Å²	1	28.5 Å²	28.5	1%	0.006	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	114.2	173.3	-174.8	0	0	0	0	108.1	S198 T199 F201 L220 V275 A278 V285	S198-V215 PolarHBondContact N-O 2.7Å; S198-V215 VanDerWaalsContact N-O 3.08Å; S198-V215 WeakPolarHBondContact OG-CG1 3.29Å; S198-V215 PolarHBondContact OG-O 2.62Å; T199-V215 PolarHBondContact N-O 3.37Å; T199-V215 PolarHBondContact O-N 2.95Å; T199-V215 VanDerWaalsContact O-O 3.07Å; F201-V215 HydrophobicContact CD2-CG2 3.87Å; F201-V215 HydrophobicContact CE2-CB 4.46Å; F201-V215 HydrophobicContact CE2-CG2 3.7Å; V215-L220 HydrophobicContact CB-CD2 4.07Å; V215-L220 HydrophobicContact CG1-CD2 3.76Å; V215-L220 HydrophobicContact CG2-CD2 3.65Å; V215-V275 HydrophobicContact CG1-CG1 3.91Å; V215-A278 HydrophobicContact CB-CB 4.15Å; V215-A278 HydrophobicContact CG1-CB 3.93Å; V215-A278 HydrophobicContact CG2-CB 3.8Å; V215-V285 HydrophobicContact CG2-CG1 4.08Å
216	L	64.4	Low	66.2	Low	1 Å²	1	30 Å²	30	1%	0.005	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	158.8	171.4	-52.2	174.9	0	0	0	109.3	V197 T214 S218 S219 R221	V197-L216 HydrophobicContact CB-CD2 4.09Å; V197-L216 HydrophobicContact CG1-CD2 4.33Å; V197-L216 HydrophobicContact CG2-CD2 3.5Å; V197-L216 VanDerWaalsContact CG2-CD2 3.5Å; T214-L216 HydrophobicContact CG2-CD2 3.81Å; T214-L216 HydrophobicContact CG2-CG 4.3Å; L216-S218 PolarHBondContact O-N 3.35Å; L216-S219 WeakPolarHBondContact CA-O 3.31Å; L216-S219 WeakPolarHBondContact CB-O 3.33Å; L216-S219 WeakPolarHBondContact CD1-OG 3.32Å; L216-S219 PolarHBondContact N-O 3.33Å; L216-S219 PolarHBondContact O-N 3.42Å; L216-R221 HydrophobicContact CD1-CG 4.12Å; L216-R221 VanDerWaalsContact CD1-NE 3.33Å
217	S	65.7	Low	67.4	Low	19 Å²	19	29.9 Å²	29.9	13%	0.133	17%	0.165	C	C	.	.	S	Bend	trans	-54.8	-24.1	175.5	54.4	0	0	0	0	113.8	Y196	Y196-S217 PolarHBondContact N-OG 3.3Å; Y196-S217 WeakPolarHBondContact O-CB 3.3Å; Y196-S217 PolarHBondContact O-N 2.85Å; Y196-S217 PolarHBondContact O-OG 2.78Å
218	S	68.6	Low	68.7	Low	6 Å²	6	28.9 Å²	28.9	4%	0.042	16%	0.156	C	C	.	.	S	Bend	trans	-118.1	-20.6	-178.7	59.7	0	0	0	0	114	D195 L216 L239	D195-S218 WeakPolarHBondContact OD1-CB 3.41Å; D195-S218 PolarHBondContact OD1-OG 2.87Å; L216-S218 PolarHBondContact O-N 3.35Å; S218-L239 WeakPolarHBondContact O-CB 3.4Å; S218-L239 PolarHBondContact O-N 3.38Å
219	S	74.1	Confident	70	Confident	6 Å²	6	24.5 Å²	24.5	4%	0.042	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.4	149.5	-169.8	52.1	0	0	0	0	113.2	L216 Y237	L216-S219 WeakPolarHBondContact CA-O 3.31Å; L216-S219 WeakPolarHBondContact CB-O 3.33Å; L216-S219 WeakPolarHBondContact CD1-OG 3.32Å; L216-S219 PolarHBondContact N-O 3.33Å; L216-S219 PolarHBondContact O-N 3.42Å; S219-Y237 CarbonylContact C-O 3.59Å; S219-Y237 WeakPolarHBondContact CA-O 3.45Å; S219-Y237 WeakPolarHBondContact CB-O 3.32Å
220	L	77.3	Confident	71.2	Confident	2 Å²	2	29.3 Å²	29.3	1%	0.01	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	138.7	165	-59	171.7	0	0	0	108.6	V215 W235 S236 Y237 L239 V287 F306	V215-L220 HydrophobicContact CB-CD2 4.07Å; V215-L220 HydrophobicContact CG1-CD2 3.76Å; V215-L220 HydrophobicContact CG2-CD2 3.65Å; L220-W235 HydrophobicContact CB-CZ3 4.07Å; L220-S236 CarbonylContact O-C 3.55Å; L220-S236 WeakPolarHBondContact O-CA 3.48Å; L220-S236 PolarHBondContact O-OG 3.47Å; L220-S236 VanDerWaalsContact O-OG 3.06Å; L220-Y237 PolarHBondContact N-O 3.29Å; L220-Y237 PolarHBondContact O-N 2.97Å; L220-L239 HydrophobicContact CD1-CD2 4.47Å; L220-L239 HydrophobicContact CD2-CD1 4.47Å; L220-L239 HydrophobicContact CG-CD1 4.19Å; L220-L239 HydrophobicContact CG-CG 4.46Å; L220-V287 HydrophobicContact CD2-CG2 4.06Å; L220-F306 HydrophobicContact CD1-CB 4.17Å; L220-F306 HydrophobicContact CD1-CD1 3.35Å; L220-F306 HydrophobicContact CD1-CD2 3.88Å; L220-F306 HydrophobicContact CD1-CE1 3.63Å; L220-F306 HydrophobicContact CD1-CE2 4.09Å; L220-F306 HydrophobicContact CD1-CG 3.52Å; L220-F306 HydrophobicContact CD1-CZ 4.01Å
221	R	78.3	Confident	72	Confident	65 Å²	65	28.3 Å²	28.3	25%	0.245	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	138.7	176	-64.2	-172.3	-177.3	155.9	9.4	110.3	D195 L213 T214 L216 W223 F233 S236	D195-R221 IonicContact OD2-NH2 3.04Å; D195-R221 PolarHBondContact OD2-NH2 2.94Å; L213-R221 WeakPolarHBondContact CA-O 3Å; T214-R221 PolarHBondContact N-O 3.45Å; T214-R221 PolarHBondContact O-N 3.27Å; L216-R221 HydrophobicContact CD1-CG 4.12Å; L216-R221 VanDerWaalsContact CD1-NE 3.33Å; R221-W223 HydrophobicContact CB-CE3 4.24Å; R221-W223 HydrophobicContact CB-CH2 3.25Å; R221-W223 HydrophobicContact CB-CZ2 4.13Å; R221-W223 HydrophobicContact CB-CZ3 3.29Å; R221-W223 HydrophobicContact CG-CH2 4.09Å; R221-W223 WeakPolarHBondContact O-CZ3 3.33Å; R221-F233 HydrophobicContact CB-CE2 4.47Å; R221-S236 WeakPolarHBondContact CG-OG 3.32Å
222	C	79.4	Confident	73.1	Confident	0 Å²	0	30.5 Å²	30.5	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	132.4	-177.9	-167.5	0	0	0	0	111.2	I212 L213 L234 W235	I212-C222 CarbonylContact O-C 3.54Å; I212-C222 WeakPolarHBondContact O-CA 3.41Å; L213-C222 HydrophobicContact CD2-CB 3.91Å; L213-C222 HydrophobicContact CG-CB 4.48Å; C222-L234 HydrophobicContact CB-CB 4.45Å; C222-L234 PolarHBondContact O-N 2.66Å; C222-W235 HydrophobicContact CB-CD2 3.57Å; C222-W235 HydrophobicContact CB-CE3 3.94Å; C222-W235 HydrophobicContact CB-CG 4.17Å; C222-W235 HydrophobicContact CB-CH2 3.84Å; C222-W235 HydrophobicContact CB-CZ2 3.46Å; C222-W235 VanDerWaalsContact CB-CZ2 3.46Å; C222-W235 HydrophobicContact CB-CZ3 4.07Å; C222-W235 PolarHBondContact N-O 2.93Å; C222-W235 PolarHBondContact O-N 2.8Å
223	W	79.9	Confident	74	Confident	10 Å²	10	33.1 Å²	33.1	4%	0.038	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	148	172.1	-64.4	-101.3	0	0	0	109.6	T169 L211 I212 T214 R221 Y231 T232 F233	T169-W223 PolarHBondContact O-NE1 3.06Å; T169-W223 VanDerWaalsContact O-NE1 3.13Å; L211-W223 CarbonylContact C-O 3.04Å; L211-W223 WeakPolarHBondContact CA-O 3.39Å; I212-W223 HydrophobicContact CB-CB 4.37Å; I212-W223 PolarHBondContact N-O 3.34Å; I212-W223 PolarHBondContact O-N 3.24Å; T214-W223 WeakPolarHBondContact OG1-CZ3 3.48Å; R221-W223 HydrophobicContact CB-CE3 4.24Å; R221-W223 HydrophobicContact CB-CH2 3.25Å; R221-W223 HydrophobicContact CB-CZ2 4.13Å; R221-W223 HydrophobicContact CB-CZ3 3.29Å; R221-W223 HydrophobicContact CG-CH2 4.09Å; R221-W223 WeakPolarHBondContact O-CZ3 3.33Å; W223-Y231 AromaticContact CD1-CD2 3.91Å; W223-T232 CarbonylContact C-O 3.43Å; W223-T232 VanDerWaalsContact CA-O 3.32Å; W223-T232 WeakPolarHBondContact CA-O 3.39Å; W223-F233 AromaticContact CD1-CD2 3.99Å; W223-F233 HydrophobicContact CD2-CD2 4.28Å; W223-F233 AromaticContact CE2-CD2 3.76Å; W223-F233 HydrophobicContact CG-CD2 4.42Å; W223-F233 HydrophobicContact CZ2-CD2 4.21Å; W223-F233 HydrophobicContact CZ2-CE2 4.45Å; W223-F233 AromaticContact NE1-CD2 3.56Å
224	K	79.4	Confident	74.8	Confident	27 Å²	27	35 Å²	35	12%	0.117	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	126.5	164.4	-173	165.3	-176.3	158.8	0	108.8	Q210 L211 F226 Y231 T232 L234 E310	Q210-K224 WeakPolarHBondContact O-CA 3.4Å; L211-K224 HydrophobicContact CD2-CB 3.92Å; L211-K224 HydrophobicContact CD2-CG 4.13Å; K224-F226 HydrophobicContact CD-CE1 4.21Å; K224-F226 HydrophobicContact CD-CZ 4.1Å; K224-F226 HydrophobicContact CG-CE1 4.4Å; K224-F226 HydrophobicContact CG-CZ 4.23Å; K224-Y231 CarbonylContact O-C 3.55Å; K224-Y231 WeakPolarHBondContact O-CA 3.39Å; K224-T232 PolarHBondContact N-O 2.89Å; K224-T232 PolarHBondContact O-N 3.23Å; K224-L234 HydrophobicContact CB-CD1 4.07Å; K224-L234 HydrophobicContact CB-CD2 4.17Å; K224-L234 HydrophobicContact CB-CG 4.16Å; K224-E310 VanDerWaalsContact CE-OE1 3.31Å; K224-E310 WeakPolarHBondContact CE-OE1 3.38Å; K224-E310 IonicContact NZ-OE1 3.36Å; K224-E310 PolarHBondContact NZ-OE1 3.03Å; K224-E310 IonicContact NZ-OE2 3.34Å; K224-E310 PolarHBondContact NZ-OE2 3.46Å
225	V	76.6	Confident	75.6	Confident	6 Å²	6	35.6 Å²	35.6	4%	0.036	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	127.8	174.7	178.4	0	0	0	0	109.4	L151 Q210 I212 K230	L151-V225 HydrophobicContact CD1-CG1 3.91Å; L151-V225 HydrophobicContact CD1-CG2 4.17Å; L151-V225 HydrophobicContact CD2-CG2 4.48Å; Q210-V225 PolarHBondContact N-O 3.31Å; Q210-V225 PolarHBondContact O-N 3.09Å; I212-V225 HydrophobicContact CD1-CB 3.86Å; I212-V225 HydrophobicContact CD1-CG2 3.18Å; I212-V225 HydrophobicContact CG1-CB 4.3Å; I212-V225 HydrophobicContact CG1-CG2 3.81Å; V225-K230 WeakPolarHBondContact CA-O 3.23Å
226	F	77.7	Confident	76.3	Confident	72 Å²	72	38 Å²	38	32%	0.316	20%	0.198	S	C	.	.			trans	-89.6	159.1	-179.5	-63	-79	0	0	0	110.4	K224 D228 L229 K230	K224-F226 HydrophobicContact CD-CE1 4.21Å; K224-F226 HydrophobicContact CD-CZ 4.1Å; K224-F226 HydrophobicContact CG-CE1 4.4Å; K224-F226 HydrophobicContact CG-CZ 4.23Å; F226-D228 WeakPolarHBondContact CB-OD1 3.16Å; F226-D228 PolarHBondContact O-N 2.84Å; F226-D228 VanDerWaalsContact O-N 3.1Å; F226-L229 WeakPolarHBondContact O-CA 3.46Å; F226-L229 PolarHBondContact O-N 3.45Å; F226-K230 HydrophobicContact CD2-CB 4.18Å; F226-K230 WeakPolarHBondContact CD2-O 3.39Å; F226-K230 PolarHBondContact N-O 3.48Å
227	P	71.5	Confident	77	Confident	115 Å²	115	38.7 Å²	38.7	75%	0.747	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.7	-25.1	178.1	-26.6	35.2	0	0	0	114.5	L229	P227-L229 PolarHBondContact O-N 3.25Å
228	D	73.4	Confident	77.6	Confident	88 Å²	88	40.7 Å²	40.7	47%	0.471	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.6	9.9	175.4	70.9	-14.7	0	0	0	113.6	F226 K230	F226-D228 WeakPolarHBondContact CB-OD1 3.16Å; F226-D228 PolarHBondContact O-N 2.84Å; F226-D228 VanDerWaalsContact O-N 3.1Å; D228-K230 PolarHBondContact O-N 3.34Å; D228-K230 WeakPolarHBondContact OD1-CB 3.39Å; D228-K230 PolarHBondContact OD1-N 3.39Å; D228-K230 VanDerWaalsContact OD1-N 3.12Å; D228-K230 WeakPolarHBondContact OD2-CD 3.4Å; D228-K230 WeakPolarHBondContact OD2-CE 3.5Å; D228-K230 WeakPolarHBondContact OD2-CG 2.8Å; D228-K230 IonicContact OD2-NZ 2.67Å; D228-K230 PolarHBondContact OD2-NZ 2.9Å
229	L	75.3	Confident	77.9	Confident	43 Å²	43	40.6 Å²	40.6	23%	0.225	21%	0.209	C	C	.	.	S	Bend	trans	64.2	11.8	-177.2	-53.3	171.5	0	0	0	114.8	C139 P153 I166 F226 P227	C139-L229 HydrophobicContact CB-CD2 3.85Å; P153-L229 HydrophobicContact CB-CD1 4.12Å; P153-L229 HydrophobicContact CG-CD1 3.67Å; I166-L229 HydrophobicContact CD1-CB 3.85Å; I166-L229 HydrophobicContact CD1-CD1 4.43Å; F226-L229 WeakPolarHBondContact O-CA 3.46Å; F226-L229 PolarHBondContact O-N 3.45Å; P227-L229 PolarHBondContact O-N 3.25Å
230	K	79.3	Confident	77.8	Confident	115 Å²	115	43.2 Å²	43.2	50%	0.5	22%	0.22	S	C	.	.			trans	-71.1	154.1	164.2	-66.4	-176.4	-170	127.5	0	109.8	V225 F226 D228	V225-K230 WeakPolarHBondContact CA-O 3.23Å; F226-K230 HydrophobicContact CD2-CB 4.18Å; F226-K230 WeakPolarHBondContact CD2-O 3.39Å; F226-K230 PolarHBondContact N-O 3.48Å; D228-K230 PolarHBondContact O-N 3.34Å; D228-K230 WeakPolarHBondContact OD1-CB 3.39Å; D228-K230 PolarHBondContact OD1-N 3.39Å; D228-K230 VanDerWaalsContact OD1-N 3.12Å; D228-K230 WeakPolarHBondContact OD2-CD 3.4Å; D228-K230 WeakPolarHBondContact OD2-CE 3.5Å; D228-K230 WeakPolarHBondContact OD2-CG 2.8Å; D228-K230 IonicContact OD2-NZ 2.67Å; D228-K230 PolarHBondContact OD2-NZ 2.9Å
231	Y	81.4	Confident	77.4	Confident	3 Å²	3	49.1 Å²	49.1	1%	0.012	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	151.2	178.6	70.8	-91.8	0	0	0	113.2	I166 A167 L168 T169 Q173 W223 K224	I166-Y231 HydrophobicContact CG2-CD1 4.25Å; I166-Y231 HydrophobicContact CG2-CE1 3.96Å; A167-Y231 PolarHBondContact O-OH 2.9Å; L168-Y231 HydrophobicContact CD2-CD1 3.44Å; L168-Y231 VanDerWaalsContact CD2-CD1 3.44Å; L168-Y231 HydrophobicContact CD2-CD2 3.86Å; L168-Y231 HydrophobicContact CD2-CE1 3.89Å; L168-Y231 HydrophobicContact CD2-CE2 4.29Å; L168-Y231 HydrophobicContact CD2-CG 3.43Å; L168-Y231 VanDerWaalsContact CD2-CG 3.43Å; T169-Y231 PolarHBondContact N-OH 3.01Å; T169-Y231 PolarHBondContact OG1-OH 3.48Å; Q173-Y231 HydrophobicContact CG-CE1 4.02Å; W223-Y231 AromaticContact CD1-CD2 3.91Å; K224-Y231 CarbonylContact O-C 3.55Å; K224-Y231 WeakPolarHBondContact O-CA 3.39Å
232	T	80.5	Confident	76.9	Confident	49 Å²	49	50.7 Å²	50.7	30%	0.301	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	125	171.9	-57.7	0	0	0	0	108.9	W223 K224 L234	W223-T232 CarbonylContact C-O 3.43Å; W223-T232 VanDerWaalsContact CA-O 3.32Å; W223-T232 WeakPolarHBondContact CA-O 3.39Å; K224-T232 PolarHBondContact N-O 2.89Å; K224-T232 PolarHBondContact O-N 3.23Å; T232-L234 HydrophobicContact CG2-CD2 4.41Å
233	F	81.7	Confident	76.6	Confident	55 Å²	55	52.6 Å²	52.6	24%	0.241	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	128.4	168.2	175.8	-105.6	0	0	0	109.4	S170 R221 W223 W235	S170-F233 WeakPolarHBondContact O-CD1 3.33Å; R221-F233 HydrophobicContact CB-CE2 4.47Å; W223-F233 AromaticContact CD1-CD2 3.99Å; W223-F233 HydrophobicContact CD2-CD2 4.28Å; W223-F233 AromaticContact CE2-CD2 3.76Å; W223-F233 HydrophobicContact CG-CD2 4.42Å; W223-F233 HydrophobicContact CZ2-CD2 4.21Å; W223-F233 HydrophobicContact CZ2-CE2 4.45Å; W223-F233 AromaticContact NE1-CD2 3.56Å; F233-W235 WeakPolarHBondContact CE2-O 3.17Å; F233-W235 VanDerWaalsContact CZ-C 3.42Å; F233-W235 WeakPolarHBondContact CZ-O 3.35Å
234	L	79.1	Confident	76.1	Confident	52 Å²	52	52.1 Å²	52.1	27%	0.272	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	-57.8	-176.8	-63.3	-178.8	0	0	0	111.6	L211 C222 K224 T232 E310	L211-L234 HydrophobicContact CD2-CD1 3.43Å; L211-L234 VanDerWaalsContact CD2-CD1 3.43Å; C222-L234 HydrophobicContact CB-CB 4.45Å; C222-L234 PolarHBondContact O-N 2.66Å; K224-L234 HydrophobicContact CB-CD1 4.07Å; K224-L234 HydrophobicContact CB-CD2 4.17Å; K224-L234 HydrophobicContact CB-CG 4.16Å; T232-L234 HydrophobicContact CG2-CD2 4.41Å; L234-E310 HydrophobicContact CD1-CB 4.39Å
235	W	80.2	Confident	75.7	Confident	13 Å²	13	52.9 Å²	52.9	5%	0.049	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.8	162.5	-175.7	50.5	-101.6	0	0	0	112.4	L213 L220 C222 F233 C308 F309 G312 P313	L213-W235 HydrophobicContact CD2-CH2 3.49Å; L213-W235 VanDerWaalsContact CD2-CH2 3.49Å; L213-W235 HydrophobicContact CD2-CZ2 3.85Å; L213-W235 HydrophobicContact CD2-CZ3 4.39Å; L220-W235 HydrophobicContact CB-CZ3 4.07Å; C222-W235 HydrophobicContact CB-CD2 3.57Å; C222-W235 HydrophobicContact CB-CE3 3.94Å; C222-W235 HydrophobicContact CB-CG 4.17Å; C222-W235 HydrophobicContact CB-CH2 3.84Å; C222-W235 HydrophobicContact CB-CZ2 3.46Å; C222-W235 VanDerWaalsContact CB-CZ2 3.46Å; C222-W235 HydrophobicContact CB-CZ3 4.07Å; C222-W235 PolarHBondContact N-O 2.93Å; C222-W235 PolarHBondContact O-N 2.8Å; F233-W235 WeakPolarHBondContact CE2-O 3.17Å; F233-W235 VanDerWaalsContact CZ-C 3.42Å; F233-W235 WeakPolarHBondContact CZ-O 3.35Å; W235-C308 HydrophobicContact CH2-CB 4.3Å; W235-C308 HydrophobicContact CZ2-CB 4.01Å; W235-F309 PolarHBondContact NE1-O 2.74Å; W235-G312 PolarHBondContact NE1-O 3.16Å; W235-P313 HydrophobicContact CD2-CB 4.1Å; W235-P313 HydrophobicContact CE3-CB 3.8Å; W235-P313 HydrophobicContact CZ3-CB 4.14Å
236	S	79.3	Confident	75.5	Confident	52 Å²	52	59.6 Å²	59.6	36%	0.364	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	145.3	166.5	-178.4	0	0	0	0	109.8	L220 R221	L220-S236 CarbonylContact O-C 3.55Å; L220-S236 WeakPolarHBondContact O-CA 3.48Å; L220-S236 PolarHBondContact O-OG 3.47Å; L220-S236 VanDerWaalsContact O-OG 3.06Å; R221-S236 WeakPolarHBondContact CG-OG 3.32Å
237	Y	78.6	Confident	75.2	Confident	14 Å²	14	56.5 Å²	56.5	6%	0.055	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	114.5	174	-171.5	-87.9	0	0	0	108.7	S219 L220 L239 N243 I247 F306 P313	S219-Y237 CarbonylContact C-O 3.59Å; S219-Y237 WeakPolarHBondContact CA-O 3.45Å; S219-Y237 WeakPolarHBondContact CB-O 3.32Å; L220-Y237 PolarHBondContact N-O 3.29Å; L220-Y237 PolarHBondContact O-N 2.97Å; Y237-L239 HydrophobicContact CD1-CD2 3.96Å; Y237-L239 HydrophobicContact CD1-CG 4.45Å; Y237-L239 HydrophobicContact CE1-CD2 4Å; Y237-N243 HydrophobicContact CE1-CB 3.89Å; Y237-I247 HydrophobicContact CE1-CD1 3.82Å; Y237-I247 WeakPolarHBondContact OH-CD1 3.36Å; Y237-F306 HydrophobicContact CD1-CE1 4.09Å; Y237-F306 AromaticContact CE1-CE1 3.94Å; Y237-F306 HydrophobicContact CE1-CE1 3.94Å; Y237-P313 HydrophobicContact CD2-CB 3.68Å; Y237-P313 HydrophobicContact CD2-CG 4.12Å; Y237-P313 HydrophobicContact CG-CB 4.22Å
238	D	78.3	Confident	75.4	Confident	61 Å²	61	51.2 Å²	51.2	33%	0.326	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	129.8	173.3	-167.4	-8.8	0	0	0	109	K240 N243	D238-K240 VanDerWaalsContact C-N 3.31Å; D238-K240 WeakPolarHBondContact OD1-CB 3.38Å; D238-K240 PolarHBondContact OD1-N 3.44Å; D238-N243 WeakPolarHBondContact O-CB 3.28Å; D238-N243 PolarHBondContact O-ND2 3.41Å
239	L	74.3	Confident	75.5	Confident	4 Å²	4	48.9 Å²	48.9	2%	0.021	23%	0.233	C	C	.	.			trans	-90.8	3.8	175.4	-68.1	169.1	0	0	0	111.9	S218 L220 Y237 A244 I247 V275 V287 F306	S218-L239 WeakPolarHBondContact O-CB 3.4Å; S218-L239 PolarHBondContact O-N 3.38Å; L220-L239 HydrophobicContact CD1-CD2 4.47Å; L220-L239 HydrophobicContact CD2-CD1 4.47Å; L220-L239 HydrophobicContact CG-CD1 4.19Å; L220-L239 HydrophobicContact CG-CG 4.46Å; Y237-L239 HydrophobicContact CD1-CD2 3.96Å; Y237-L239 HydrophobicContact CD1-CG 4.45Å; Y237-L239 HydrophobicContact CE1-CD2 4Å; L239-A244 WeakPolarHBondContact O-CB 3.18Å; L239-I247 HydrophobicContact CD2-CD1 4.34Å; L239-V275 HydrophobicContact CD1-CG2 3.48Å; L239-V275 VanDerWaalsContact CD1-CG2 3.48Å; L239-V287 HydrophobicContact CD1-CG1 4.37Å; L239-F306 HydrophobicContact CD2-CE1 3.86Å; L239-F306 HydrophobicContact CD2-CE2 4.19Å; L239-F306 HydrophobicContact CD2-CZ 3.35Å
240	K	72.6	Confident	75.2	Confident	62 Å²	62	51 Å²	51	27%	0.27	25%	0.251	S	S	.	.	S	Bend	trans	-106.7	172.2	178.3	-62.6	-178.2	176.1	175.3	0	112.2	D238 E242 N243 A244	D238-K240 VanDerWaalsContact C-N 3.31Å; D238-K240 WeakPolarHBondContact OD1-CB 3.38Å; D238-K240 PolarHBondContact OD1-N 3.44Å; K240-E242 PolarHBondContact O-N 2.89Å; K240-N243 PolarHBondContact O-N 2.96Å; K240-A244 PolarHBondContact O-N 3.33Å
241	Y	69.2	Low	74.8	Confident	126 Å²	126	46 Å²	46	49%	0.494	23%	0.229	S	C	.	.	H	α-helix	trans	56.4	-120.4	170.9	-50.4	-75.9	0	0	0	113.7	N243 A244 F245	Y241-N243 VanDerWaalsContact C-N 3.33Å; Y241-N243 PolarHBondContact O-N 2.87Å; Y241-A244 PolarHBondContact O-N 3.15Å; Y241-F245 PolarHBondContact O-N 3.44Å; Y241-F245 VanDerWaalsContact O-N 3.1Å
242	E	67.6	Low	74.4	Confident	98 Å²	98	45.8 Å²	45.8	46%	0.458	23%	0.229	S	C	.	.	H	α-helix	trans	-66.7	-33.7	-173.4	-62.8	-167.8	157.6	0	0	112.6	K240 K246 R269	K240-E242 PolarHBondContact O-N 2.89Å; E242-K246 WeakPolarHBondContact O-CG 3.11Å; E242-K246 PolarHBondContact O-N 3.12Å; E242-R269 IonicContact OE1-CZ 2.68Å; E242-R269 IonicContact OE1-NH1 3.34Å; E242-R269 PolarHBondContact OE1-NH1 2.97Å; E242-R269 IonicContact OE1-NH2 2.92Å; E242-R269 PolarHBondContact OE1-NH2 3.1Å
243	N	72.9	Confident	73.9	Confident	39 Å²	39	45.7 Å²	45.7	21%	0.209	23%	0.228	C	C	.	.	H	α-helix	trans	-74.3	-42	177.8	-75	-13.2	0	0	0	111.1	Y237 D238 K240 Y241 F245 K246 I247	Y237-N243 HydrophobicContact CE1-CB 3.89Å; D238-N243 WeakPolarHBondContact O-CB 3.28Å; D238-N243 PolarHBondContact O-ND2 3.41Å; K240-N243 PolarHBondContact O-N 2.96Å; Y241-N243 VanDerWaalsContact C-N 3.33Å; Y241-N243 PolarHBondContact O-N 2.87Å; N243-F245 VanDerWaalsContact C-N 3.26Å; N243-F245 PolarHBondContact O-N 3.01Å; N243-K246 PolarHBondContact O-N 2.9Å; N243-K246 VanDerWaalsContact O-N 3.13Å; N243-I247 WeakPolarHBondContact O-CG1 3.28Å; N243-I247 PolarHBondContact O-N 2.91Å
244	A	70.2	Confident	73.2	Confident	0 Å²	0	48.3 Å²	48.3	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-53.2	-47.5	172	0	0	0	0	0	111.2	L239 K240 Y241 K246 I247 F248 V271 V273	L239-A244 WeakPolarHBondContact O-CB 3.18Å; K240-A244 PolarHBondContact O-N 3.33Å; Y241-A244 PolarHBondContact O-N 3.15Å; A244-K246 PolarHBondContact O-N 3.25Å; A244-I247 PolarHBondContact O-N 3.4Å; A244-F248 HydrophobicContact CB-CD2 4.34Å; A244-F248 WeakPolarHBondContact O-CD2 3.25Å; A244-F248 PolarHBondContact O-N 3.32Å; A244-V271 HydrophobicContact CB-CB 4.44Å; A244-V271 HydrophobicContact CB-CG1 4.39Å; A244-V273 HydrophobicContact CB-CG2 3.68Å
245	F	70.2	Confident	72.5	Confident	44 Å²	44	47.9 Å²	47.9	19%	0.193	24%	0.237	C	C	.	.	H	α-helix	trans	-56.9	-50.7	175.7	175.2	-108.2	0	0	0	111.8	Y241 N243 I247 F248 D249 K268	Y241-F245 PolarHBondContact O-N 3.44Å; Y241-F245 VanDerWaalsContact O-N 3.1Å; N243-F245 VanDerWaalsContact C-N 3.26Å; N243-F245 PolarHBondContact O-N 3.01Å; F245-I247 PolarHBondContact O-N 2.91Å; F245-F248 PolarHBondContact O-N 3.3Å; F245-D249 HydrophobicContact CD2-CB 3.92Å; F245-D249 HydrophobicContact CE2-CB 3.49Å; F245-D249 VanDerWaalsContact CE2-CB 3.49Å; F245-D249 VanDerWaalsContact CE2-OD1 3.26Å; F245-D249 WeakPolarHBondContact CE2-OD1 3.49Å; F245-D249 HydrophobicContact CZ-CB 3.83Å; F245-D249 VanDerWaalsContact CZ-CG 3.44Å; F245-D249 WeakPolarHBondContact CZ-OD2 3.38Å; F245-D249 WeakPolarHBondContact O-CB 3.44Å; F245-D249 PolarHBondContact O-N 3.28Å; F245-K268 HydrophobicContact CD2-CB 3.71Å; F245-K268 HydrophobicContact CE2-CB 3.52Å; F245-K268 HydrophobicContact CE2-CD 3.63Å; F245-K268 HydrophobicContact CE2-CG 4.24Å; F245-K268 HydrophobicContact CZ-CD 4.27Å
246	K	72.2	Confident	71.9	Confident	146 Å²	146	48.6 Å²	48.6	64%	0.635	24%	0.242	S	C	*	.	H	α-helix	trans	-58	-35.4	178.8	-72.9	175.5	-174.4	178.9	0	113.5	E242 N243 A244	E242-K246 WeakPolarHBondContact O-CG 3.11Å; E242-K246 PolarHBondContact O-N 3.12Å; N243-K246 PolarHBondContact O-N 2.9Å; N243-K246 VanDerWaalsContact O-N 3.13Å; A244-K246 PolarHBondContact O-N 3.25Å
247	I	70.8	Confident	71.5	Confident	8 Å²	8	47.5 Å²	47.5	4%	0.041	24%	0.239	C	C	.	.	H	α-helix	trans	-75.6	-47.6	-179.2	-61	174	0	0	0	110.9	Y237 L239 N243 A244 F245 F306 P317 I319	Y237-I247 HydrophobicContact CE1-CD1 3.82Å; Y237-I247 WeakPolarHBondContact OH-CD1 3.36Å; L239-I247 HydrophobicContact CD2-CD1 4.34Å; N243-I247 WeakPolarHBondContact O-CG1 3.28Å; N243-I247 PolarHBondContact O-N 2.91Å; A244-I247 PolarHBondContact O-N 3.4Å; F245-I247 PolarHBondContact O-N 2.91Å; I247-F306 HydrophobicContact CD1-CE1 4.34Å; I247-F306 HydrophobicContact CD1-CZ 4.17Å; I247-P317 HydrophobicContact CB-CG 4.24Å; I247-P317 HydrophobicContact CD1-CG 3.43Å; I247-P317 VanDerWaalsContact CD1-CG 3.43Å; I247-P317 HydrophobicContact CG1-CG 3.35Å; I247-P317 HydrophobicContact CG2-CG 3.97Å; I247-I319 HydrophobicContact CG2-CD1 4.38Å; I247-I319 HydrophobicContact CG2-CG1 4.34Å; I247-I319 WeakPolarHBondContact O-CD1 3.41Å
248	F	75.9	Confident	71.2	Confident	3 Å²	3	53.7 Å²	53.7	1%	0.013	27%	0.273	C	S	.	.	H	α-helix	trans	-99.3	-8.6	-167.1	-58.8	-64.8	0	0	0	113.8	A244 F245 F251 L252 V271 V273 V291 V302 I319	A244-F248 HydrophobicContact CB-CD2 4.34Å; A244-F248 WeakPolarHBondContact O-CD2 3.25Å; A244-F248 PolarHBondContact O-N 3.32Å; F245-F248 PolarHBondContact O-N 3.3Å; F248-F251 HydrophobicContact CB-CD1 4.42Å; F248-F251 HydrophobicContact CD1-CD1 4.15Å; F248-F251 PolarHBondContact O-N 3.27Å; F248-L252 HydrophobicContact CB-CD1 3.91Å; F248-L252 HydrophobicContact CB-CG 4.17Å; F248-L252 VanDerWaalsContact O-CB 3.25Å; F248-L252 WeakPolarHBondContact O-CB 3.47Å; F248-L252 WeakPolarHBondContact O-CG 3.46Å; F248-L252 PolarHBondContact O-N 3.22Å; F248-V271 HydrophobicContact CD2-CG1 4.37Å; F248-V273 HydrophobicContact CD2-CG2 4.09Å; F248-V273 HydrophobicContact CE2-CG1 4.27Å; F248-V273 HydrophobicContact CE2-CG2 3.6Å; F248-V291 HydrophobicContact CD1-CG1 4.48Å; F248-V291 HydrophobicContact CD1-CG2 4.04Å; F248-V291 HydrophobicContact CD2-CG1 4.16Å; F248-V291 HydrophobicContact CD2-CG2 4.25Å; F248-V291 HydrophobicContact CE1-CG2 3.62Å; F248-V291 HydrophobicContact CE2-CG2 3.87Å; F248-V291 HydrophobicContact CG-CG1 4.17Å; F248-V291 HydrophobicContact CG-CG2 4.37Å; F248-V291 HydrophobicContact CZ-CG2 3.53Å; F248-V302 HydrophobicContact CD1-CG1 4.45Å; F248-V302 HydrophobicContact CE1-CB 4.02Å; F248-V302 HydrophobicContact CE1-CG1 3.78Å; F248-V302 HydrophobicContact CE1-CG2 4.27Å; F248-I319 HydrophobicContact CD1-CD1 3.74Å; F248-I319 HydrophobicContact CD1-CG1 4.44Å; F248-I319 HydrophobicContact CE1-CD1 4.16Å; F248-I319 HydrophobicContact CE1-CG1 4.38Å
249	D	75.7	Confident	70.8	Confident	40 Å²	40	57.5 Å²	57.5	21%	0.214	29%	0.289	C	S	.	.	H	α-helix	trans	-64	-45.4	-175.6	-173.7	47.1	0	0	0	112.9	F245 F251 L252 T253 W260 K268	F245-D249 HydrophobicContact CD2-CB 3.92Å; F245-D249 HydrophobicContact CE2-CB 3.49Å; F245-D249 VanDerWaalsContact CE2-CB 3.49Å; F245-D249 VanDerWaalsContact CE2-OD1 3.26Å; F245-D249 WeakPolarHBondContact CE2-OD1 3.49Å; F245-D249 HydrophobicContact CZ-CB 3.83Å; F245-D249 VanDerWaalsContact CZ-CG 3.44Å; F245-D249 WeakPolarHBondContact CZ-OD2 3.38Å; F245-D249 WeakPolarHBondContact O-CB 3.44Å; F245-D249 PolarHBondContact O-N 3.28Å; D249-F251 VanDerWaalsContact C-N 3.34Å; D249-F251 PolarHBondContact O-N 3.47Å; D249-L252 PolarHBondContact O-N 3.43Å; D249-T253 WeakPolarHBondContact O-CB 3.47Å; D249-T253 PolarHBondContact O-N 3.32Å; D249-T253 PolarHBondContact O-OG1 3.39Å; D249-W260 PolarHBondContact OD1-NE1 2.91Å; D249-K268 IonicContact OD1-NZ 2.68Å; D249-K268 PolarHBondContact OD1-NZ 2.97Å
250	S	69.1	Low	70.8	Confident	86 Å²	86	57.5 Å²	57.5	60%	0.601	29%	0.288	S	S	*	.	H	α-helix	trans	-61.6	-45.6	176.2	55.2	0	0	0	0	111.1	T253 E254	S250-T253 WeakPolarHBondContact O-CB 3.38Å; S250-T253 PolarHBondContact O-N 3.09Å; S250-E254 PolarHBondContact O-N 2.9Å
251	F	71	Confident	70.8	Confident	10 Å²	10	58.4 Å²	58.4	4%	0.044	30%	0.299	C	S	.	.	H	α-helix	trans	-61.5	-49.9	177	162.6	-106.9	0	0	0	112.9	F248 D249 T253 E254 Q255 F300 V302 I319 H322	F248-F251 HydrophobicContact CB-CD1 4.42Å; F248-F251 HydrophobicContact CD1-CD1 4.15Å; F248-F251 PolarHBondContact O-N 3.27Å; D249-F251 VanDerWaalsContact C-N 3.34Å; D249-F251 PolarHBondContact O-N 3.47Å; F251-T253 VanDerWaalsContact C-N 3.3Å; F251-T253 PolarHBondContact O-N 3.36Å; F251-E254 PolarHBondContact O-N 3.03Å; F251-Q255 HydrophobicContact CD2-CG 3.89Å; F251-Q255 HydrophobicContact CE1-CG 4.45Å; F251-Q255 HydrophobicContact CE2-CG 3.35Å; F251-Q255 HydrophobicContact CZ-CG 3.67Å; F251-Q255 WeakPolarHBondContact O-CG 3.22Å; F251-Q255 PolarHBondContact O-N 2.95Å; F251-F300 HydrophobicContact CE1-CB 4.39Å; F251-F300 HydrophobicContact CE1-CD1 4.49Å; F251-F300 HydrophobicContact CE1-CG 4.22Å; F251-F300 HydrophobicContact CZ-CB 4.43Å; F251-F300 AromaticContact CZ-CD1 3.99Å; F251-F300 HydrophobicContact CZ-CD1 3.99Å; F251-F300 HydrophobicContact CZ-CE1 4.43Å; F251-F300 HydrophobicContact CZ-CG 4.16Å; F251-V302 HydrophobicContact CE1-CG2 3.96Å; F251-V302 HydrophobicContact CZ-CG2 4.18Å; F251-I319 HydrophobicContact CB-CD1 3.33Å; F251-I319 HydrophobicContact CD1-CD1 4.16Å; F251-I319 HydrophobicContact CD2-CD1 4.33Å; F251-I319 HydrophobicContact CG-CD1 3.68Å; F251-H322 HydrophobicContact CE2-CB 3.54Å; F251-H322 AromaticContact CE2-CD2 3.54Å; F251-H322 AromaticContact CE2-CE1 3.87Å; F251-H322 AromaticContact CE2-CG 3.26Å; F251-H322 AromaticContact CE2-ND1 3.52Å; F251-H322 AromaticContact CE2-NE2 3.91Å; F251-H322 HydrophobicContact CZ-CB 3.45Å; F251-H322 VanDerWaalsContact CZ-CB 3.45Å; F251-H322 AromaticContact CZ-CD2 3.58Å; F251-H322 AromaticContact CZ-CG 3.51Å
252	L	73.2	Confident	71.2	Confident	0 Å²	0	56.9 Å²	56.9	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-68.4	-32.1	179.7	-68.9	171.7	0	0	0	111.3	F248 D249 Q255 L256 W260 V271 P293 F300	F248-L252 HydrophobicContact CB-CD1 3.91Å; F248-L252 HydrophobicContact CB-CG 4.17Å; F248-L252 VanDerWaalsContact O-CB 3.25Å; F248-L252 WeakPolarHBondContact O-CB 3.47Å; F248-L252 WeakPolarHBondContact O-CG 3.46Å; F248-L252 PolarHBondContact O-N 3.22Å; D249-L252 PolarHBondContact O-N 3.43Å; L252-Q255 PolarHBondContact O-N 3.15Å; L252-L256 HydrophobicContact CB-CD1 4.48Å; L252-L256 HydrophobicContact CD2-CD1 4.11Å; L252-L256 VanDerWaalsContact O-CB 3.31Å; L252-L256 WeakPolarHBondContact O-CB 3.43Å; L252-L256 PolarHBondContact O-N 2.89Å; L252-W260 HydrophobicContact CB-CD2 3.65Å; L252-W260 HydrophobicContact CB-CE3 4.26Å; L252-W260 HydrophobicContact CB-CG 3.88Å; L252-W260 HydrophobicContact CB-CZ2 4.04Å; L252-W260 HydrophobicContact CD1-CD2 4.28Å; L252-W260 HydrophobicContact CD1-CE3 4.28Å; L252-W260 HydrophobicContact CD1-CH2 3.53Å; L252-W260 HydrophobicContact CD1-CZ2 3.48Å; L252-W260 VanDerWaalsContact CD1-CZ2 3.48Å; L252-W260 HydrophobicContact CD1-CZ3 3.93Å; L252-W260 HydrophobicContact CG-CZ2 4.41Å; L252-V271 HydrophobicContact CD1-CG2 4.03Å; L252-P293 HydrophobicContact CD1-CB 4.34Å; L252-P293 HydrophobicContact CD2-CB 4.28Å; L252-P293 HydrophobicContact CD2-CG 3.8Å; L252-F300 HydrophobicContact CD2-CD2 4.09Å; L252-F300 HydrophobicContact CD2-CE2 3.97Å
253	T	69.9	Low	71.5	Confident	47 Å²	47	54 Å²	54	29%	0.288	30%	0.295	S	S	.	.	H	α-helix	trans	-62.1	-44.5	170.8	-60.8	0	0	0	0	111	D249 S250 F251 G257 W260 V261	D249-T253 WeakPolarHBondContact O-CB 3.47Å; D249-T253 PolarHBondContact O-N 3.32Å; D249-T253 PolarHBondContact O-OG1 3.39Å; S250-T253 WeakPolarHBondContact O-CB 3.38Å; S250-T253 PolarHBondContact O-N 3.09Å; F251-T253 VanDerWaalsContact C-N 3.3Å; F251-T253 PolarHBondContact O-N 3.36Å; T253-G257 VanDerWaalsContact O-CA 3.26Å; T253-G257 WeakPolarHBondContact O-CA 3.31Å; T253-G257 PolarHBondContact O-N 2.97Å; T253-W260 VanDerWaalsContact N-CD1 3.32Å; T253-W260 VanDerWaalsContact OG1-CD1 3.28Å; T253-V261 HydrophobicContact CG2-CG2 3.71Å
254	E	67.1	Low	71.5	Confident	110 Å²	110	56 Å²	56	51%	0.514	31%	0.308	S	S	.	.	H	α-helix	trans	-66.7	-40.6	177.2	-171.7	175.7	-167.9	0	0	112.4	S250 F251	S250-E254 PolarHBondContact O-N 2.9Å; F251-E254 PolarHBondContact O-N 3.03Å
255	Q	64.1	Low	71.7	Confident	42 Å²	42	60 Å²	60	20%	0.196	33%	0.333	C	S	.	.	H	α-helix	trans	-79.1	-41	-176.4	-65.7	-45.6	-61.7	0	0	114.6	F251 L252 F300 H322	F251-Q255 HydrophobicContact CD2-CG 3.89Å; F251-Q255 HydrophobicContact CE1-CG 4.45Å; F251-Q255 HydrophobicContact CE2-CG 3.35Å; F251-Q255 HydrophobicContact CZ-CG 3.67Å; F251-Q255 WeakPolarHBondContact O-CG 3.22Å; F251-Q255 PolarHBondContact O-N 2.95Å; L252-Q255 PolarHBondContact O-N 3.15Å; Q255-F300 HydrophobicContact CB-CZ 4.34Å; Q255-F300 HydrophobicContact CG-CE1 4.5Å; Q255-H322 PolarHBondContact NE2-CE1 2.66Å; Q255-H322 PolarHBondContact OE1-CE1 2.92Å; Q255-H322 PolarHBondContact OE1-NE2 3.38Å
256	L	68.7	Low	71.8	Confident	29 Å²	29	63.6 Å²	63.6	15%	0.152	36%	0.358	C	S	.	.	H	α-helix	trans	-103.1	-11.8	-172.3	-63.5	168.9	0	0	0	112.6	L252 D258 Q259 W260 P293 V297 F300	L252-L256 HydrophobicContact CB-CD1 4.48Å; L252-L256 HydrophobicContact CD2-CD1 4.11Å; L252-L256 VanDerWaalsContact O-CB 3.31Å; L252-L256 WeakPolarHBondContact O-CB 3.43Å; L252-L256 PolarHBondContact O-N 2.89Å; L256-D258 PolarHBondContact O-N 3.29Å; L256-Q259 HydrophobicContact CB-CB 4.45Å; L256-Q259 WeakPolarHBondContact O-CB 3.38Å; L256-Q259 PolarHBondContact O-N 3.38Å; L256-W260 HydrophobicContact CB-CB 3.63Å; L256-W260 HydrophobicContact CD1-CB 4.08Å; L256-W260 HydrophobicContact CD1-CD2 4.44Å; L256-W260 HydrophobicContact CD1-CE3 4.03Å; L256-W260 HydrophobicContact CD1-CG 4.49Å; L256-W260 HydrophobicContact CG-CB 4.5Å; L256-P293 HydrophobicContact CD1-CB 4.45Å; L256-V297 HydrophobicContact CD1-CG1 3.9Å; L256-V297 HydrophobicContact CD2-CG1 3.77Å; L256-F300 HydrophobicContact CD2-CZ 4.38Å
257	G	70.5	Confident	71.7	Confident	28 Å²	28	60.9 Å²	60.9	29%	0.289	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.2	-131.1	-179.5	0	0	0	0	0	112.4	T253 Q259 W260 V261	T253-G257 VanDerWaalsContact O-CA 3.26Å; T253-G257 WeakPolarHBondContact O-CA 3.31Å; T253-G257 PolarHBondContact O-N 2.97Å; G257-Q259 PolarHBondContact O-N 3.34Å; G257-Q259 VanDerWaalsContact O-N 3.11Å; G257-W260 PolarHBondContact O-N 2.85Å; G257-V261 WeakPolarHBondContact O-CG2 3.26Å; G257-V261 PolarHBondContact O-N 3.41Å
258	D	71.9	Confident	71.6	Confident	144 Å²	144	61.5 Å²	61.5	77%	0.77	35%	0.35	S	S	*	.	H	α-helix	trans	-55.1	-30.5	-178.1	-64.8	-23.5	0	0	0	113.9	L256 W260 S262	L256-D258 PolarHBondContact O-N 3.29Å; D258-W260 PolarHBondContact O-N 3.39Å; D258-S262 VanDerWaalsContact O-CB 3.29Å; D258-S262 WeakPolarHBondContact O-CB 3.42Å; D258-S262 PolarHBondContact O-N 2.98Å; D258-S262 PolarHBondContact O-OG 3.33Å
259	Q	69.7	Low	71.3	Confident	142 Å²	142	66.8 Å²	66.8	66%	0.664	37%	0.37	S	S	*	.	H	α-helix	trans	-65.6	-24.5	178.4	-61.5	-175.4	2.5	0	0	112.7	L256 G257 N263	L256-Q259 HydrophobicContact CB-CB 4.45Å; L256-Q259 WeakPolarHBondContact O-CB 3.38Å; L256-Q259 PolarHBondContact O-N 3.38Å; G257-Q259 PolarHBondContact O-N 3.34Å; G257-Q259 VanDerWaalsContact O-N 3.11Å; Q259-N263 PolarHBondContact O-ND2 3.46Å
260	W	73.4	Confident	71	Confident	3 Å²	3	67.9 Å²	67.9	1%	0.011	38%	0.384	C	S	.	.	H	α-helix	trans	-97.5	-41.7	175.7	-179.4	-103.8	0	0	0	112.4	D249 L252 T253 L256 G257 D258 S262 N263 K268 V271 P293 I294	D249-W260 PolarHBondContact OD1-NE1 2.91Å; L252-W260 HydrophobicContact CB-CD2 3.65Å; L252-W260 HydrophobicContact CB-CE3 4.26Å; L252-W260 HydrophobicContact CB-CG 3.88Å; L252-W260 HydrophobicContact CB-CZ2 4.04Å; L252-W260 HydrophobicContact CD1-CD2 4.28Å; L252-W260 HydrophobicContact CD1-CE3 4.28Å; L252-W260 HydrophobicContact CD1-CH2 3.53Å; L252-W260 HydrophobicContact CD1-CZ2 3.48Å; L252-W260 VanDerWaalsContact CD1-CZ2 3.48Å; L252-W260 HydrophobicContact CD1-CZ3 3.93Å; L252-W260 HydrophobicContact CG-CZ2 4.41Å; T253-W260 VanDerWaalsContact N-CD1 3.32Å; T253-W260 VanDerWaalsContact OG1-CD1 3.28Å; L256-W260 HydrophobicContact CB-CB 3.63Å; L256-W260 HydrophobicContact CD1-CB 4.08Å; L256-W260 HydrophobicContact CD1-CD2 4.44Å; L256-W260 HydrophobicContact CD1-CE3 4.03Å; L256-W260 HydrophobicContact CD1-CG 4.49Å; L256-W260 HydrophobicContact CG-CB 4.5Å; G257-W260 PolarHBondContact O-N 2.85Å; D258-W260 PolarHBondContact O-N 3.39Å; W260-S262 VanDerWaalsContact C-N 3.27Å; W260-S262 PolarHBondContact O-N 3.42Å; W260-N263 WeakPolarHBondContact O-CB 3.46Å; W260-N263 PolarHBondContact O-N 2.85Å; W260-N263 VanDerWaalsContact O-N 3.16Å; W260-K268 HydrophobicContact CH2-CB 4.1Å; W260-K268 HydrophobicContact CH2-CG 4.18Å; W260-K268 HydrophobicContact CZ2-CB 3.9Å; W260-K268 HydrophobicContact CZ2-CD 4.12Å; W260-K268 HydrophobicContact CZ2-CG 3.87Å; W260-K268 WeakPolarHBondContact O-CE 3.45Å; W260-V271 HydrophobicContact CH2-CG2 3.49Å; W260-V271 VanDerWaalsContact CH2-CG2 3.49Å; W260-V271 HydrophobicContact CZ2-CG2 4.2Å; W260-V271 HydrophobicContact CZ3-CG2 4.39Å; W260-P293 HydrophobicContact CE3-CB 4.37Å; W260-P293 HydrophobicContact CZ3-CB 3.84Å; W260-I294 HydrophobicContact CZ3-CD1 4.48Å; W260-I294 HydrophobicContact CZ3-CG1 4.46Å
261	V	74.4	Confident	71.3	Confident	81 Å²	81	64 Å²	64	49%	0.491	36%	0.357	S	S	.	.	H	α-helix	trans	-62.1	-34.9	-179.7	-178.4	0	0	0	0	112	T253 G257 N263	T253-V261 HydrophobicContact CG2-CG2 3.71Å; G257-V261 WeakPolarHBondContact O-CG2 3.26Å; G257-V261 PolarHBondContact O-N 3.41Å; V261-N263 PolarHBondContact O-N 3.23Å
262	S	75.8	Confident	71.6	Confident	94 Å²	94	66.5 Å²	66.5	66%	0.657	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.1	-13.8	178	55.8	0	0	0	0	114.9	D258 W260	D258-S262 VanDerWaalsContact O-CB 3.29Å; D258-S262 WeakPolarHBondContact O-CB 3.42Å; D258-S262 PolarHBondContact O-N 2.98Å; D258-S262 PolarHBondContact O-OG 3.33Å; W260-S262 VanDerWaalsContact C-N 3.27Å; W260-S262 PolarHBondContact O-N 3.42Å
263	N	73.8	Confident	71.8	Confident	38 Å²	38	66.9 Å²	66.9	20%	0.203	38%	0.378	C	S	.	.	S	Bend	trans	-76.3	138	179.2	-69.6	-45.5	0	0	0	111.9	Q259 W260 V261 Q267 K268	Q259-N263 PolarHBondContact O-ND2 3.46Å; W260-N263 WeakPolarHBondContact O-CB 3.46Å; W260-N263 PolarHBondContact O-N 2.85Å; W260-N263 VanDerWaalsContact O-N 3.16Å; V261-N263 PolarHBondContact O-N 3.23Å; N263-Q267 HydrophobicContact CB-CB 4.03Å; N263-K268 HydrophobicContact CB-CG 3.87Å; N263-K268 WeakPolarHBondContact O-CE 3.45Å
264	T	74.6	Confident	72	Confident	80 Å²	80	69.9 Å²	69.9	49%	0.491	39%	0.387	S	S	.	.			trans	-62.7	153.7	174.2	59.5	0	0	0	0	111.5	V266 Q267 K268	T264-V266 PolarHBondContact O-N 3.22Å; T264-Q267 WeakPolarHBondContact O-CA 3.23Å; T264-Q267 WeakPolarHBondContact O-CB 3.49Å; T264-Q267 PolarHBondContact O-N 2.88Å; T264-Q267 WeakPolarHBondContact OG1-CG 3.38Å; T264-Q267 PolarHBondContact OG1-N 2.84Å; T264-Q267 PolarHBondContact OG1-OE1 2.88Å; T264-K268 PolarHBondContact O-N 2.93Å
265	V	73.5	Confident	72.4	Confident	86 Å²	86	65.1 Å²	65.1	52%	0.521	37%	0.365	S	S	.	.	H	α-helix	trans	-52.3	-33.6	175.8	178.1	0	0	0	0	111.9	R269	V265-R269 WeakPolarHBondContact O-CG 3.33Å; V265-R269 PolarHBondContact O-N 3.15Å; V265-R269 VanDerWaalsContact O-N 3.09Å
266	V	71.6	Confident	72.5	Confident	118 Å²	118	65.7 Å²	65.7	72%	0.715	37%	0.369	S	S	*	.	H	α-helix	trans	-67.3	-42.1	176.3	-176.7	0	0	0	0	111.7	T264 R269	T264-V266 PolarHBondContact O-N 3.22Å; V266-R269 PolarHBondContact O-N 3.26Å
267	Q	71.1	Confident	72.2	Confident	89 Å²	89	64.6 Å²	64.6	42%	0.416	36%	0.364	S	S	.	.	H	α-helix	trans	-68.1	-41.9	175.2	-74.8	165.8	-42.2	0	0	111.7	N263 T264 R269 A270 I294	N263-Q267 HydrophobicContact CB-CB 4.03Å; T264-Q267 WeakPolarHBondContact O-CA 3.23Å; T264-Q267 WeakPolarHBondContact O-CB 3.49Å; T264-Q267 PolarHBondContact O-N 2.88Å; T264-Q267 WeakPolarHBondContact OG1-CG 3.38Å; T264-Q267 PolarHBondContact OG1-N 2.84Å; T264-Q267 PolarHBondContact OG1-OE1 2.88Å; Q267-R269 PolarHBondContact O-N 3.26Å; Q267-A270 VanDerWaalsContact O-CB 3.25Å; Q267-A270 WeakPolarHBondContact O-CB 3.38Å; Q267-A270 PolarHBondContact O-N 3Å; Q267-I294 HydrophobicContact CB-CD1 4Å
268	K	69.1	Low	72.1	Confident	22 Å²	22	63.4 Å²	63.4	10%	0.096	35%	0.351	C	S	.	.	H	α-helix	trans	-65.7	-23.5	177.5	-64.1	-168.4	173.6	-164.2	0	113.4	F245 D249 W260 N263 T264 A270 V271	F245-K268 HydrophobicContact CD2-CB 3.71Å; F245-K268 HydrophobicContact CE2-CB 3.52Å; F245-K268 HydrophobicContact CE2-CD 3.63Å; F245-K268 HydrophobicContact CE2-CG 4.24Å; F245-K268 HydrophobicContact CZ-CD 4.27Å; D249-K268 IonicContact OD1-NZ 2.68Å; D249-K268 PolarHBondContact OD1-NZ 2.97Å; W260-K268 HydrophobicContact CH2-CB 4.1Å; W260-K268 HydrophobicContact CH2-CG 4.18Å; W260-K268 HydrophobicContact CZ2-CB 3.9Å; W260-K268 HydrophobicContact CZ2-CD 4.12Å; W260-K268 HydrophobicContact CZ2-CG 3.87Å; W260-K268 WeakPolarHBondContact O-CE 3.45Å; N263-K268 HydrophobicContact CB-CG 3.87Å; N263-K268 WeakPolarHBondContact O-CE 3.45Å; T264-K268 PolarHBondContact O-N 2.93Å; K268-A270 PolarHBondContact O-N 3.07Å; K268-V271 WeakPolarHBondContact O-CG2 3.46Å
269	R	68.3	Low	71.6	Confident	113 Å²	113	56.7 Å²	56.7	43%	0.426	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-8.2	172.5	-75.8	170.2	-178.1	-135.4	-3.1	113.8	E242 V265 V266 Q267 V271	E242-R269 IonicContact OE1-CZ 2.68Å; E242-R269 IonicContact OE1-NH1 3.34Å; E242-R269 PolarHBondContact OE1-NH1 2.97Å; E242-R269 IonicContact OE1-NH2 2.92Å; E242-R269 PolarHBondContact OE1-NH2 3.1Å; V265-R269 WeakPolarHBondContact O-CG 3.33Å; V265-R269 PolarHBondContact O-N 3.15Å; V265-R269 VanDerWaalsContact O-N 3.09Å; V266-R269 PolarHBondContact O-N 3.26Å; Q267-R269 PolarHBondContact O-N 3.26Å; R269-V271 VanDerWaalsContact C-N 3.27Å; R269-V271 PolarHBondContact O-N 3.43Å
270	A	70.6	Confident	71.2	Confident	63 Å²	63	51.3 Å²	51.3	52%	0.521	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.4	9.1	-179.7	0	0	0	0	0	114.3	Q267 K268 S272	Q267-A270 VanDerWaalsContact O-CB 3.25Å; Q267-A270 WeakPolarHBondContact O-CB 3.38Å; Q267-A270 PolarHBondContact O-N 3Å; K268-A270 PolarHBondContact O-N 3.07Å; A270-S272 PolarHBondContact O-N 2.96Å; A270-S272 VanDerWaalsContact O-N 3.15Å
271	V	75.3	Confident	70.2	Confident	5 Å²	5	51.4 Å²	51.4	3%	0.03	29%	0.294	C	S	.	.			trans	-61.1	116.9	177.6	179.2	0	0	0	0	109.7	A244 F248 L252 W260 K268 R269 V273 V291 H292	A244-V271 HydrophobicContact CB-CB 4.44Å; A244-V271 HydrophobicContact CB-CG1 4.39Å; F248-V271 HydrophobicContact CD2-CG1 4.37Å; L252-V271 HydrophobicContact CD1-CG2 4.03Å; W260-V271 HydrophobicContact CH2-CG2 3.49Å; W260-V271 VanDerWaalsContact CH2-CG2 3.49Å; W260-V271 HydrophobicContact CZ2-CG2 4.2Å; W260-V271 HydrophobicContact CZ3-CG2 4.39Å; K268-V271 WeakPolarHBondContact O-CG2 3.46Å; R269-V271 VanDerWaalsContact C-N 3.27Å; R269-V271 PolarHBondContact O-N 3.43Å; V271-V273 HydrophobicContact CG1-CG2 4.05Å; V271-V291 HydrophobicContact CG1-CG1 3.6Å; V271-H292 CarbonylContact C-O 3.54Å; V271-H292 WeakPolarHBondContact CA-O 3.4Å
272	S	77.2	Confident	69.1	Low	62 Å²	62	50.8 Å²	50.8	43%	0.434	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	125	177	107.3	0	0	0	0	109.5	A270 H292	A270-S272 PolarHBondContact O-N 2.96Å; A270-S272 VanDerWaalsContact O-N 3.15Å; S272-H292 PolarHBondContact N-O 3.24Å; S272-H292 PolarHBondContact O-N 2.86Å; S272-H292 WeakPolarHBondContact OG-CB 3.32Å; S272-H292 PolarHBondContact OG-ND1 3.17Å
273	V	77.8	Confident	68.1	Low	8 Å²	8	48 Å²	48	5%	0.048	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	127.6	-178.1	-176.3	0	0	0	0	108.2	A244 F248 V271 E290	A244-V273 HydrophobicContact CB-CG2 3.68Å; F248-V273 HydrophobicContact CD2-CG2 4.09Å; F248-V273 HydrophobicContact CE2-CG1 4.27Å; F248-V273 HydrophobicContact CE2-CG2 3.6Å; V271-V273 HydrophobicContact CG1-CG2 4.05Å; V273-E290 WeakPolarHBondContact CA-O 3.15Å
274	K	74.1	Confident	67.3	Low	111 Å²	111	46.2 Å²	46.2	48%	0.483	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	115.8	173.8	175.1	-171.9	171.7	-160.1	0	108.9	L276 S289 E290	K274-L276 HydrophobicContact CD-CD2 4.31Å; K274-L276 HydrophobicContact CG-CD2 4.45Å; K274-L276 PolarHBondContact O-N 3.03Å; K274-S289 CarbonylContact O-C 3.6Å; K274-S289 WeakPolarHBondContact O-CA 3.22Å; K274-E290 HydrophobicContact CB-CB 4.26Å; K274-E290 PolarHBondContact N-O 3.42Å; K274-E290 IonicContact NZ-OE2 3.23Å; K274-E290 PolarHBondContact O-N 3.48Å
275	V	74.1	Confident	66.8	Low	10 Å²	10	42.5 Å²	42.5	6%	0.061	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	124.5	174.1	-178.9	0	0	0	0	109.5	V215 L239 V287	V215-V275 HydrophobicContact CG1-CG1 3.91Å; L239-V275 HydrophobicContact CD1-CG2 3.48Å; L239-V275 VanDerWaalsContact CD1-CG2 3.48Å; V275-V287 HydrophobicContact CB-CG1 4.34Å; V275-V287 HydrophobicContact CG1-CG1 3.6Å; V275-V287 HydrophobicContact CG2-CG1 3.88Å
276	L	67	Low	66.2	Low	53 Å²	53	38.5 Å²	38.5	28%	0.277	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	-47	177.3	-62	-179.9	0	0	0	111.1	K274 L288 E290 H301	K274-L276 HydrophobicContact CD-CD2 4.31Å; K274-L276 HydrophobicContact CG-CD2 4.45Å; K274-L276 PolarHBondContact O-N 3.03Å; L276-L288 HydrophobicContact CB-CD2 3.93Å; L276-L288 HydrophobicContact CB-CG 3.98Å; L276-L288 HydrophobicContact CD1-CD2 4.18Å; L276-L288 HydrophobicContact CD1-CG 4.17Å; L276-L288 PolarHBondContact N-O 3.29Å; L276-E290 HydrophobicContact CD1-CB 4.06Å; L276-E290 HydrophobicContact CD2-CB 4.2Å; L276-E290 HydrophobicContact CG-CB 4.07Å; L276-H301 VanDerWaalsContact CD1-ND1 3.28Å; L276-H301 WeakPolarHBondContact CD1-ND1 3.39Å
277	D	63.5	Low	66.1	Low	7 Å²	7	32.9 Å²	32.9	4%	0.037	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158	173.4	176.6	-159.8	11.7	0	0	0	110.8	T199 L288 R333 L334	T199-D277 WeakPolarHBondContact CG2-OD1 3.44Å; T199-D277 PolarHBondContact OG1-OD1 3.11Å; D277-L288 PolarHBondContact N-O 2.87Å; D277-L288 WeakPolarHBondContact O-CA 3.43Å; D277-L288 PolarHBondContact O-N 2.63Å; D277-R333 WeakPolarHBondContact OD2-CA 3.22Å; D277-R333 WeakPolarHBondContact OD2-CD 3.07Å; D277-L334 HydrophobicContact CB-CB 4.34Å; D277-L334 PolarHBondContact OD2-N 3.45Å
278	A	66.6	Low	65.9	Low	2 Å²	2	28.9 Å²	28.9	2%	0.017	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	167	171.7	0	0	0	0	0	110.3	T199 F201 V215 V285 A286 V287	T199-A278 PolarHBondContact OG1-N 3.2Å; F201-A278 HydrophobicContact CE2-CB 3.57Å; F201-A278 HydrophobicContact CZ-CB 3.94Å; F201-A278 WeakPolarHBondContact CZ-O 3.36Å; V215-A278 HydrophobicContact CB-CB 4.15Å; V215-A278 HydrophobicContact CG1-CB 3.93Å; V215-A278 HydrophobicContact CG2-CB 3.8Å; A278-V285 HydrophobicContact CB-CG1 4.43Å; A278-A286 CarbonylContact C-O 3.55Å; A278-A286 WeakPolarHBondContact CA-O 3.33Å; A278-A286 VanDerWaalsContact CB-O 3.24Å; A278-A286 WeakPolarHBondContact CB-O 3.47Å; A278-V287 HydrophobicContact CB-CG2 4.25Å
279	C	61.8	Low	66.1	Low	4 Å²	4	27.9 Å²	27.9	3%	0.027	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148	161.8	169.1	71.1	0	0	0	0	109.6	V285 A286 L334 S336	C279-V285 CarbonylContact O-C 3.52Å; C279-V285 VanDerWaalsContact O-CA 3.31Å; C279-V285 WeakPolarHBondContact O-CA 3.48Å; C279-A286 PolarHBondContact N-O 2.74Å; C279-A286 PolarHBondContact O-N 3.14Å; C279-L334 HydrophobicContact CB-CB 4.22Å; C279-L334 HydrophobicContact CB-CD2 4.14Å; C279-L334 HydrophobicContact CB-CG 4.27Å; C279-L334 WeakPolarHBondContact CB-O 3.35Å; C279-L334 WeakPolarHBondContact SG-CD2 3.46Å; C279-S336 VanDerWaalsContact SG-CB 3.57Å
280	S	60.9	Low	66.4	Low	28 Å²	28	23.3 Å²	23.3	20%	0.196	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	140.2	179.9	68.3	0	0	0	0	111.6	F201 A284 S336	F201-S280 VanDerWaalsContact CB-OG 3.29Å; F201-S280 WeakPolarHBondContact CB-OG 3.47Å; F201-S280 WeakPolarHBondContact CD1-OG 3.15Å; F201-S280 WeakPolarHBondContact CG-OG 3.48Å; S280-A284 CarbonylContact C-O 3.6Å; S280-A284 WeakPolarHBondContact CA-O 3.38Å; S280-A284 WeakPolarHBondContact CB-O 3.17Å; S280-S336 PolarHBondContact O-OG 3.33Å; S280-S336 VanDerWaalsContact O-OG 3.08Å
281	S	54.2	Low	66.8	Low	5 Å²	5	20.3 Å²	20.3	4%	0.035	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	139.7	167.8	138.1	0	0	0	0	110.1	G283 A284 A337 D338 L340 P341	S281-G283 PolarHBondContact O-N 3.34Å; S281-A284 PolarHBondContact N-O 2.96Å; S281-A284 PolarHBondContact O-N 3.35Å; S281-A337 WeakPolarHBondContact CB-O 3.37Å; S281-A337 PolarHBondContact OG-O 3.46Å; S281-D338 WeakPolarHBondContact OG-CA 3.4Å; S281-D338 PolarHBondContact OG-O 3.08Å; S281-L340 PolarHBondContact OG-N 3.19Å; S281-P341 WeakPolarHBondContact O-CG 3.24Å; S281-P341 WeakPolarHBondContact OG-CD 2.93Å
282	G	49.3	Very low	67	Low	68 Å²	68	22.9 Å²	22.9	70%	0.701	15%	0.148	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.6	31.9	169.9	0	0	0	0	0	116.4
283	G	55.9	Low	66.8	Low	35 Å²	35	20 Å²	20	36%	0.361	13%	0.127	S	C	.	.	T	Hydrogen-bonded Turn	trans	91.9	-1.6	-179	0	0	0	0	0	115.6	S281 C308	S281-G283 PolarHBondContact O-N 3.34Å; G283-C308 PolarHBondContact O-N 3.33Å
284	A	56.6	Low	66.4	Low	2 Å²	2	22.6 Å²	22.6	2%	0.017	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	147.3	170.6	0	0	0	0	0	111.2	S280 S281 L305 F306 P341	S280-A284 CarbonylContact C-O 3.6Å; S280-A284 WeakPolarHBondContact CA-O 3.38Å; S280-A284 WeakPolarHBondContact CB-O 3.17Å; S281-A284 PolarHBondContact N-O 2.96Å; S281-A284 PolarHBondContact O-N 3.35Å; A284-L305 HydrophobicContact CB-CD1 4.24Å; A284-L305 HydrophobicContact CB-CD2 4.35Å; A284-L305 HydrophobicContact CB-CG 4.3Å; A284-F306 CarbonylContact C-O 3.58Å; A284-F306 WeakPolarHBondContact CA-O 3.3Å; A284-P341 HydrophobicContact CB-CG 4.47Å
285	V	63.4	Low	65.9	Low	1 Å²	1	21.1 Å²	21.1	1%	0.006	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	117.7	173.1	179.3	0	0	0	0	108	L213 V215 A278 C279 V287 F306 C308	L213-V285 HydrophobicContact CD1-CG2 3.98Å; V215-V285 HydrophobicContact CG2-CG1 4.08Å; A278-V285 HydrophobicContact CB-CG1 4.43Å; C279-V285 CarbonylContact O-C 3.52Å; C279-V285 VanDerWaalsContact O-CA 3.31Å; C279-V285 WeakPolarHBondContact O-CA 3.48Å; V285-V287 HydrophobicContact CG1-CG2 3.91Å; V285-F306 HydrophobicContact CB-CB 4.36Å; V285-F306 PolarHBondContact N-O 3.27Å; V285-F306 PolarHBondContact O-N 3.13Å; V285-C308 VanDerWaalsContact CG2-SG 3.58Å
286	A	62	Low	65.1	Low	2 Å²	2	30.2 Å²	30.2	2%	0.017	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	133.9	168.1	0	0	0	0	0	108.9	A278 C279 V303 S304 L320 L334 L340	A278-A286 CarbonylContact C-O 3.55Å; A278-A286 WeakPolarHBondContact CA-O 3.33Å; A278-A286 VanDerWaalsContact CB-O 3.24Å; A278-A286 WeakPolarHBondContact CB-O 3.47Å; C279-A286 PolarHBondContact N-O 2.74Å; C279-A286 PolarHBondContact O-N 3.14Å; A286-V303 HydrophobicContact CB-CG1 4.01Å; A286-S304 CarbonylContact C-O 3.46Å; A286-S304 WeakPolarHBondContact CA-O 3.36Å; A286-L320 HydrophobicContact CB-CD1 4.37Å; A286-L334 HydrophobicContact CB-CD2 3.61Å; A286-L334 WeakPolarHBondContact O-CD2 3.42Å; A286-L340 HydrophobicContact CB-CD1 4.43Å
287	V	69.3	Low	65.1	Low	0 Å²	0	30.2 Å²	30.2	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	115.8	-177.3	-176.5	0	0	0	0	108.1	L220 L239 V275 A278 V285 V303 S304 F306	L220-V287 HydrophobicContact CD2-CG2 4.06Å; L239-V287 HydrophobicContact CD1-CG1 4.37Å; V275-V287 HydrophobicContact CB-CG1 4.34Å; V275-V287 HydrophobicContact CG1-CG1 3.6Å; V275-V287 HydrophobicContact CG2-CG1 3.88Å; A278-V287 HydrophobicContact CB-CG2 4.25Å; V285-V287 HydrophobicContact CG1-CG2 3.91Å; V287-V303 CarbonylContact O-C 3.6Å; V287-V303 WeakPolarHBondContact O-CA 3.49Å; V287-S304 PolarHBondContact N-O 3Å; V287-S304 PolarHBondContact O-N 3Å; V287-F306 HydrophobicContact CB-CD2 4.23Å; V287-F306 HydrophobicContact CB-CE2 3.86Å; V287-F306 HydrophobicContact CG2-CD2 3.55Å; V287-F306 HydrophobicContact CG2-CE2 3.57Å
288	L	67.7	Low	65.2	Low	6 Å²	6	31.6 Å²	31.6	3%	0.031	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	120.3	168.9	178.1	65.9	0	0	0	109	L276 D277 H301 V303 I332 L334	L276-L288 HydrophobicContact CB-CD2 3.93Å; L276-L288 HydrophobicContact CB-CG 3.98Å; L276-L288 HydrophobicContact CD1-CD2 4.18Å; L276-L288 HydrophobicContact CD1-CG 4.17Å; L276-L288 PolarHBondContact N-O 3.29Å; D277-L288 PolarHBondContact N-O 2.87Å; D277-L288 WeakPolarHBondContact O-CA 3.43Å; D277-L288 PolarHBondContact O-N 2.63Å; L288-H301 HydrophobicContact CD1-CB 4.49Å; L288-V303 HydrophobicContact CB-CG2 4.21Å; L288-V303 HydrophobicContact CD1-CG2 3.58Å; L288-V303 HydrophobicContact CG-CG2 4.5Å; L288-I332 HydrophobicContact CD2-CB 4.21Å; L288-I332 HydrophobicContact CD2-CG2 3.51Å; L288-L334 HydrophobicContact CB-CD1 4.34Å
289	S	73	Confident	65.4	Low	1 Å²	1	33.3 Å²	33.3	1%	0.007	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	141.5	-177.1	-58.3	0	0	0	0	111	K274 H301 V302	K274-S289 CarbonylContact O-C 3.6Å; K274-S289 WeakPolarHBondContact O-CA 3.22Å; S289-H301 CarbonylContact O-C 3.33Å; S289-H301 WeakPolarHBondContact O-CA 3.36Å; S289-V302 PolarHBondContact N-O 3.18Å; S289-V302 PolarHBondContact O-N 3.28Å
290	E	74.3	Confident	65.8	Low	16 Å²	16	33.2 Å²	33.2	8%	0.075	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	111.1	166.3	-168.5	-174.9	150.7	0	0	107.8	V273 K274 L276 H292 I299 F300	V273-E290 WeakPolarHBondContact CA-O 3.15Å; K274-E290 HydrophobicContact CB-CB 4.26Å; K274-E290 PolarHBondContact N-O 3.42Å; K274-E290 IonicContact NZ-OE2 3.23Å; K274-E290 PolarHBondContact O-N 3.48Å; L276-E290 HydrophobicContact CD1-CB 4.06Å; L276-E290 HydrophobicContact CD2-CB 4.2Å; L276-E290 HydrophobicContact CG-CB 4.07Å; E290-H292 IonicContact OE1-CE1 3.8Å; E290-H292 PolarHBondContact OE1-CE1 3.13Å; E290-H292 IonicContact OE1-NE2 2.89Å; E290-H292 PolarHBondContact OE1-NE2 3.44Å; E290-I299 HydrophobicContact CG-CG2 3.3Å; E290-F300 CarbonylContact C-O 3.54Å; E290-F300 WeakPolarHBondContact CA-O 3.28Å
291	V	78.8	Confident	65.9	Low	0 Å²	0	32.1 Å²	32.1	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	120.8	-176.6	-176	0	0	0	0	108.9	F248 V271 F300 V302	F248-V291 HydrophobicContact CD1-CG1 4.48Å; F248-V291 HydrophobicContact CD1-CG2 4.04Å; F248-V291 HydrophobicContact CD2-CG1 4.16Å; F248-V291 HydrophobicContact CD2-CG2 4.25Å; F248-V291 HydrophobicContact CE1-CG2 3.62Å; F248-V291 HydrophobicContact CE2-CG2 3.87Å; F248-V291 HydrophobicContact CG-CG1 4.17Å; F248-V291 HydrophobicContact CG-CG2 4.37Å; F248-V291 HydrophobicContact CZ-CG2 3.53Å; V271-V291 HydrophobicContact CG1-CG1 3.6Å; V291-F300 HydrophobicContact CB-CB 4.33Å; V291-F300 PolarHBondContact N-O 2.78Å; V291-F300 PolarHBondContact O-N 2.78Å; V291-V302 HydrophobicContact CB-CG2 4.3Å; V291-V302 HydrophobicContact CG2-CB 4.07Å; V291-V302 HydrophobicContact CG2-CG2 3.69Å
292	H	79.8	Confident	66.4	Low	59 Å²	59	31.9 Å²	31.9	27%	0.273	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	109.2	173.9	-57.5	69.7	0	0	0	108.5	V271 S272 E290	V271-H292 CarbonylContact C-O 3.54Å; V271-H292 WeakPolarHBondContact CA-O 3.4Å; S272-H292 PolarHBondContact N-O 3.24Å; S272-H292 PolarHBondContact O-N 2.86Å; S272-H292 WeakPolarHBondContact OG-CB 3.32Å; S272-H292 PolarHBondContact OG-ND1 3.17Å; E290-H292 IonicContact OE1-CE1 3.8Å; E290-H292 PolarHBondContact OE1-CE1 3.13Å; E290-H292 IonicContact OE1-NE2 2.89Å; E290-H292 PolarHBondContact OE1-NE2 3.44Å
293	P	71.8	Confident	67.1	Low	1 Å²	1	28.8 Å²	28.8	1%	0.006	18%	0.178	C	C	.	.			trans	-67.1	-64.9	-178.5	-18.3	31.3	0	0	0	111.1	L252 L256 W260 V297 F300	L252-P293 HydrophobicContact CD1-CB 4.34Å; L252-P293 HydrophobicContact CD2-CB 4.28Å; L252-P293 HydrophobicContact CD2-CG 3.8Å; L256-P293 HydrophobicContact CD1-CB 4.45Å; W260-P293 HydrophobicContact CE3-CB 4.37Å; W260-P293 HydrophobicContact CZ3-CB 3.84Å; P293-V297 HydrophobicContact CB-CB 4.28Å; P293-V297 HydrophobicContact CB-CG1 4.14Å; P293-V297 HydrophobicContact CG-CB 4.25Å; P293-V297 HydrophobicContact CG-CG1 3.8Å; P293-F300 HydrophobicContact CG-CD2 3.91Å; P293-F300 HydrophobicContact CG-CE2 3.88Å
294	I	69.2	Low	67.5	Low	64 Å²	64	27.1 Å²	27.1	33%	0.328	16%	0.161	S	C	.	.	S	Bend	trans	-161	133.6	177.7	-54.9	179.5	0	0	0	109.9	W260 Q267 H296 V297	W260-I294 HydrophobicContact CZ3-CD1 4.48Å; W260-I294 HydrophobicContact CZ3-CG1 4.46Å; Q267-I294 HydrophobicContact CB-CD1 4Å; I294-H296 PolarHBondContact O-N 2.97Å; I294-V297 WeakPolarHBondContact O-CG2 3.32Å; I294-V297 PolarHBondContact O-N 3.39Å
295	G	63.9	Low	67.6	Low	80 Å²	80	27.4 Å²	27.4	83%	0.825	16%	0.162	S	C	*	.	T	Hydrogen-bonded Turn	trans	52	-93.9	159.3	0	0	0	0	0	116.7
296	H	58.6	Low	67.7	Low	200 Å²	200	27.3 Å²	27.3	93%	0.926	16%	0.162	S	C	*	.	T	Hydrogen-bonded Turn	trans	-107.3	4.1	-174.2	-69.1	-71.5	0	0	0	114.4	I294	I294-H296 PolarHBondContact O-N 2.97Å
297	V	65.9	Low	67.7	Low	53 Å²	53	28.7 Å²	28.7	32%	0.321	17%	0.168	S	C	.	.	S	Bend	trans	-73.2	146.4	176.2	-176.6	0	0	0	0	109.8	L256 P293 I294 F300	L256-V297 HydrophobicContact CD1-CG1 3.9Å; L256-V297 HydrophobicContact CD2-CG1 3.77Å; P293-V297 HydrophobicContact CB-CB 4.28Å; P293-V297 HydrophobicContact CB-CG1 4.14Å; P293-V297 HydrophobicContact CG-CB 4.25Å; P293-V297 HydrophobicContact CG-CG1 3.8Å; I294-V297 WeakPolarHBondContact O-CG2 3.32Å; I294-V297 PolarHBondContact O-N 3.39Å; V297-F300 HydrophobicContact CG1-CE2 4.45Å
298	A	66.5	Low	67.4	Low	36 Å²	36	29 Å²	29	30%	0.298	17%	0.17	S	C	.	.	P	Polyproline II helix	trans	-55.7	141.2	179.4	0	0	0	0	0	112.1	F300 Q324	A298-F300 WeakPolarHBondContact O-CD2 3.46Å; A298-F300 WeakPolarHBondContact O-CE2 3.35Å; A298-Q324 HydrophobicContact CB-CG 3.6Å; A298-Q324 VanDerWaalsContact CB-NE2 3.26Å
299	I	69.9	Low	67.1	Low	39 Å²	39	32.3 Å²	32.3	20%	0.2	18%	0.184	C	C	.	.	P	Polyproline II helix	trans	-73.5	133.3	174.2	-59.6	172.4	0	0	0	108.2	E290 P327	E290-I299 HydrophobicContact CG-CG2 3.3Å; I299-P327 HydrophobicContact CD1-CB 4.42Å
300	F	70.8	Confident	66.7	Low	2 Å²	2	35.1 Å²	35.1	1%	0.009	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	129	175.4	-64.2	-81.6	0	0	0	110.4	F251 L252 Q255 L256 E290 V291 P293 V297 A298 V302 H322 M323 Q324	F251-F300 HydrophobicContact CE1-CB 4.39Å; F251-F300 HydrophobicContact CE1-CD1 4.49Å; F251-F300 HydrophobicContact CE1-CG 4.22Å; F251-F300 HydrophobicContact CZ-CB 4.43Å; F251-F300 AromaticContact CZ-CD1 3.99Å; F251-F300 HydrophobicContact CZ-CD1 3.99Å; F251-F300 HydrophobicContact CZ-CE1 4.43Å; F251-F300 HydrophobicContact CZ-CG 4.16Å; L252-F300 HydrophobicContact CD2-CD2 4.09Å; L252-F300 HydrophobicContact CD2-CE2 3.97Å; Q255-F300 HydrophobicContact CB-CZ 4.34Å; Q255-F300 HydrophobicContact CG-CE1 4.5Å; L256-F300 HydrophobicContact CD2-CZ 4.38Å; E290-F300 CarbonylContact C-O 3.54Å; E290-F300 WeakPolarHBondContact CA-O 3.28Å; V291-F300 HydrophobicContact CB-CB 4.33Å; V291-F300 PolarHBondContact N-O 2.78Å; V291-F300 PolarHBondContact O-N 2.78Å; P293-F300 HydrophobicContact CG-CD2 3.91Å; P293-F300 HydrophobicContact CG-CE2 3.88Å; V297-F300 HydrophobicContact CG1-CE2 4.45Å; A298-F300 WeakPolarHBondContact O-CD2 3.46Å; A298-F300 WeakPolarHBondContact O-CE2 3.35Å; F300-V302 HydrophobicContact CB-CG2 3.87Å; F300-H322 AromaticContact CD1-CD2 3.9Å; F300-M323 WeakPolarHBondContact CA-O 3.44Å; F300-Q324 HydrophobicContact CD1-CB 4.32Å; F300-Q324 HydrophobicContact CE1-CB 4.15Å; F300-Q324 HydrophobicContact CE1-CG 4.17Å
301	H	62	Low	66	Low	4 Å²	4	45.1 Å²	45.1	2%	0.019	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	114.4	164.1	-67.3	-79.8	0	0	0	108.1	L276 L288 S289 H322 M323	L276-H301 VanDerWaalsContact CD1-ND1 3.28Å; L276-H301 WeakPolarHBondContact CD1-ND1 3.39Å; L288-H301 HydrophobicContact CD1-CB 4.49Å; S289-H301 CarbonylContact O-C 3.33Å; S289-H301 WeakPolarHBondContact O-CA 3.36Å; H301-H322 CarbonylContact O-C 3.51Å; H301-H322 WeakPolarHBondContact O-CA 3.1Å; H301-M323 HydrophobicContact CB-CB 4.49Å; H301-M323 HydrophobicContact CB-CE 4.24Å; H301-M323 PolarHBondContact N-O 3.29Å; H301-M323 PolarHBondContact O-N 3.15Å
302	V	66.8	Low	65.2	Low	0 Å²	0	46 Å²	46	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	132.5	-174.4	-171.9	0	0	0	0	109.6	F248 F251 S289 V291 F300 I319 F321 H322	F248-V302 HydrophobicContact CD1-CG1 4.45Å; F248-V302 HydrophobicContact CE1-CB 4.02Å; F248-V302 HydrophobicContact CE1-CG1 3.78Å; F248-V302 HydrophobicContact CE1-CG2 4.27Å; F251-V302 HydrophobicContact CE1-CG2 3.96Å; F251-V302 HydrophobicContact CZ-CG2 4.18Å; S289-V302 PolarHBondContact N-O 3.18Å; S289-V302 PolarHBondContact O-N 3.28Å; V291-V302 HydrophobicContact CB-CG2 4.3Å; V291-V302 HydrophobicContact CG2-CB 4.07Å; V291-V302 HydrophobicContact CG2-CG2 3.69Å; F300-V302 HydrophobicContact CB-CG2 3.87Å; V302-I319 HydrophobicContact CG1-CB 4.26Å; V302-I319 HydrophobicContact CG1-CD1 4.39Å; V302-I319 HydrophobicContact CG1-CG1 3.96Å; V302-I319 HydrophobicContact CG1-CG2 3.46Å; V302-I319 VanDerWaalsContact CG1-CG2 3.46Å; V302-F321 WeakPolarHBondContact CA-O 3.35Å; V302-H322 HydrophobicContact CG2-CB 4.07Å
303	V	62.1	Low	64.4	Low	3 Å²	3	45.5 Å²	45.5	2%	0.018	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	119.5	167.6	179	0	0	0	0	109.2	A286 V287 L288 L320 F321 L334	A286-V303 HydrophobicContact CB-CG1 4.01Å; V287-V303 CarbonylContact O-C 3.6Å; V287-V303 WeakPolarHBondContact O-CA 3.49Å; L288-V303 HydrophobicContact CB-CG2 4.21Å; L288-V303 HydrophobicContact CD1-CG2 3.58Å; L288-V303 HydrophobicContact CG-CG2 4.5Å; V303-L320 HydrophobicContact CB-CB 4.38Å; V303-L320 HydrophobicContact CG1-CB 4.31Å; V303-L320 HydrophobicContact CG1-CD1 3.73Å; V303-L320 WeakPolarHBondContact O-CB 3.5Å; V303-L320 PolarHBondContact O-N 3.23Å; V303-F321 HydrophobicContact CB-CD1 3.81Å; V303-F321 HydrophobicContact CB-CE1 3.43Å; V303-F321 VanDerWaalsContact CB-CE1 3.43Å; V303-F321 HydrophobicContact CB-CZ 3.88Å; V303-F321 HydrophobicContact CG1-CE1 4.14Å; V303-F321 HydrophobicContact CG2-CD1 4.05Å; V303-F321 HydrophobicContact CG2-CE1 3.21Å; V303-F321 HydrophobicContact CG2-CE2 3.92Å; V303-F321 HydrophobicContact CG2-CZ 3.14Å; V303-F321 PolarHBondContact N-O 3.17Å; V303-L334 HydrophobicContact CG1-CD1 4.46Å; V303-L334 HydrophobicContact CG1-CD2 4.31Å; V303-L334 HydrophobicContact CG2-CD1 3.97Å
304	S	66.1	Low	64	Low	1 Å²	1	46.1 Å²	46.1	1%	0.007	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	129.9	178.9	-59.7	0	0	0	0	110.2	A286 V287 Q318	A286-S304 CarbonylContact C-O 3.46Å; A286-S304 WeakPolarHBondContact CA-O 3.36Å; V287-S304 PolarHBondContact N-O 3Å; V287-S304 PolarHBondContact O-N 3Å; S304-Q318 CarbonylContact C-O 3.42Å; S304-Q318 WeakPolarHBondContact CA-O 3.18Å
305	L	58.8	Low	63.4	Low	7 Å²	7	52.5 Å²	52.5	4%	0.037	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	125.7	176.5	-167	111.4	0	0	0	110.9	A284 P317 Q318 L320 L340	A284-L305 HydrophobicContact CB-CD1 4.24Å; A284-L305 HydrophobicContact CB-CD2 4.35Å; A284-L305 HydrophobicContact CB-CG 4.3Å; L305-P317 VanDerWaalsContact O-CA 3.26Å; L305-P317 WeakPolarHBondContact O-CA 3.29Å; L305-P317 WeakPolarHBondContact O-CB 3.17Å; L305-Q318 PolarHBondContact N-O 2.97Å; L305-Q318 PolarHBondContact O-N 2.97Å; L305-Q318 VanDerWaalsContact O-N 3.09Å; L305-L320 HydrophobicContact CB-CD1 3.79Å; L305-L320 HydrophobicContact CB-CD2 4.33Å; L305-L320 HydrophobicContact CB-CG 3.9Å; L305-L320 HydrophobicContact CD1-CD1 3.72Å; L305-L320 HydrophobicContact CD1-CD2 4.4Å; L305-L320 HydrophobicContact CD1-CG 4.43Å; L305-L320 HydrophobicContact CG-CD1 4.39Å; L305-L340 HydrophobicContact CD1-CD2 4.46Å
306	F	65.2	Low	63.1	Low	0 Å²	0	52.6 Å²	52.6	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	117.4	179.1	-65.9	-96.4	0	0	0	109.8	L220 Y237 L239 I247 A284 V285 V287 C308 P314 P317	L220-F306 HydrophobicContact CD1-CB 4.17Å; L220-F306 HydrophobicContact CD1-CD1 3.35Å; L220-F306 HydrophobicContact CD1-CD2 3.88Å; L220-F306 HydrophobicContact CD1-CE1 3.63Å; L220-F306 HydrophobicContact CD1-CE2 4.09Å; L220-F306 HydrophobicContact CD1-CG 3.52Å; L220-F306 HydrophobicContact CD1-CZ 4.01Å; Y237-F306 HydrophobicContact CD1-CE1 4.09Å; Y237-F306 AromaticContact CE1-CE1 3.94Å; Y237-F306 HydrophobicContact CE1-CE1 3.94Å; L239-F306 HydrophobicContact CD2-CE1 3.86Å; L239-F306 HydrophobicContact CD2-CE2 4.19Å; L239-F306 HydrophobicContact CD2-CZ 3.35Å; I247-F306 HydrophobicContact CD1-CE1 4.34Å; I247-F306 HydrophobicContact CD1-CZ 4.17Å; A284-F306 CarbonylContact C-O 3.58Å; A284-F306 WeakPolarHBondContact CA-O 3.3Å; V285-F306 HydrophobicContact CB-CB 4.36Å; V285-F306 PolarHBondContact N-O 3.27Å; V285-F306 PolarHBondContact O-N 3.13Å; V287-F306 HydrophobicContact CB-CD2 4.23Å; V287-F306 HydrophobicContact CB-CE2 3.86Å; V287-F306 HydrophobicContact CG2-CD2 3.55Å; V287-F306 HydrophobicContact CG2-CE2 3.57Å; F306-C308 PolarHBondContact O-N 3.26Å; F306-P314 HydrophobicContact CB-CG 3.89Å; F306-P314 HydrophobicContact CD1-CG 3.67Å; F306-P314 HydrophobicContact CG-CG 4.26Å; F306-P317 HydrophobicContact CD1-CB 3.66Å; F306-P317 HydrophobicContact CD1-CG 4.24Å; F306-P317 HydrophobicContact CD2-CB 4.35Å; F306-P317 HydrophobicContact CE1-CB 3.45Å; F306-P317 VanDerWaalsContact CE1-CB 3.45Å; F306-P317 HydrophobicContact CE1-CG 3.62Å; F306-P317 HydrophobicContact CE2-CB 4.2Å; F306-P317 HydrophobicContact CG-CB 4.09Å; F306-P317 HydrophobicContact CZ-CB 3.72Å; F306-P317 HydrophobicContact CZ-CG 3.96Å
307	Q	61.5	Low	63.3	Low	31 Å²	31	43.9 Å²	43.9	15%	0.145	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	119	168	-78.4	164	13	0	0	110.3	F309 P314 W535	Q307-F309 HydrophobicContact CB-CD2 4.45Å; Q307-F309 HydrophobicContact CB-CE2 3.75Å; Q307-F309 HydrophobicContact CB-CZ 4.2Å; Q307-P314 WeakPolarHBondContact O-CB 3.46Å; Q307-P314 WeakPolarHBondContact O-CD 3.44Å; Q307-P314 WeakPolarHBondContact O-CG 3.5Å; Q307-W535 HydrophobicContact CG-CE3 4Å; Q307-W535 HydrophobicContact CG-CZ3 3.96Å; Q307-W535 VanDerWaalsContact NE2-CG 3.28Å
308	C	62.4	Low	62.8	Low	6 Å²	6	44.9 Å²	44.9	4%	0.041	23%	0.228	C	C	.	.			trans	-103.3	113.9	-173.1	-64	0	0	0	0	109.6	L213 W235 G283 V285 F306	L213-C308 HydrophobicContact CD1-CB 3.55Å; L213-C308 HydrophobicContact CD2-CB 3.92Å; L213-C308 HydrophobicContact CG-CB 4.37Å; W235-C308 HydrophobicContact CH2-CB 4.3Å; W235-C308 HydrophobicContact CZ2-CB 4.01Å; G283-C308 PolarHBondContact O-N 3.33Å; V285-C308 VanDerWaalsContact CG2-SG 3.58Å; F306-C308 PolarHBondContact O-N 3.26Å
309	F	62.4	Low	62.3	Low	75 Å²	75	45.2 Å²	45.2	33%	0.329	22%	0.224	S	C	.	.	B	Isolated β-bridge	trans	-115	159.4	175.9	-60.6	-73.7	0	0	0	111	W235 Q307 R311	W235-F309 PolarHBondContact NE1-O 2.74Å; Q307-F309 HydrophobicContact CB-CD2 4.45Å; Q307-F309 HydrophobicContact CB-CE2 3.75Å; Q307-F309 HydrophobicContact CB-CZ 4.2Å; F309-R311 PolarHBondContact O-N 2.92Å
310	E	63.3	Low	61	Low	61 Å²	61	45.4 Å²	45.4	29%	0.285	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-32.4	175.5	-63.1	-157.9	155.2	0	0	113	V205 L211 K224 L234 G312	V205-E310 HydrophobicContact CG1-CG 4.46Å; L211-E310 HydrophobicContact CD1-CG 3.69Å; L211-E310 HydrophobicContact CD2-CG 3.98Å; L211-E310 HydrophobicContact CG-CG 4.23Å; K224-E310 VanDerWaalsContact CE-OE1 3.31Å; K224-E310 WeakPolarHBondContact CE-OE1 3.38Å; K224-E310 IonicContact NZ-OE1 3.36Å; K224-E310 PolarHBondContact NZ-OE1 3.03Å; K224-E310 IonicContact NZ-OE2 3.34Å; K224-E310 PolarHBondContact NZ-OE2 3.46Å; L234-E310 HydrophobicContact CD1-CB 4.39Å; E310-G312 PolarHBondContact O-N 3.23Å
311	R	61	Low	59.9	Low	225 Å²	225	48.4 Å²	48.4	85%	0.849	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.4	-11.9	-168	-66.8	-170.8	-176.1	-177.7	2.8	114.8	F309	F309-R311 PolarHBondContact O-N 2.92Å
312	G	61.9	Low	59.2	Low	19 Å²	19	49.4 Å²	49.4	20%	0.196	24%	0.244	C	C	.	.	B	Isolated β-bridge	trans	160.9	168.6	-178.9	0	0	0	0	0	113.1	W235 E310	W235-G312 PolarHBondContact NE1-O 3.16Å; E310-G312 PolarHBondContact O-N 3.23Å
313	P	63	Low	58.4	Low	48 Å²	48	50.9 Å²	50.9	31%	0.312	25%	0.251	S	S	.	.			trans	-67.4	154.7	173.8	30.8	-32.6	0	0	0	110.6	W235 Y237 E315	W235-P313 HydrophobicContact CD2-CB 4.1Å; W235-P313 HydrophobicContact CE3-CB 3.8Å; W235-P313 HydrophobicContact CZ3-CB 4.14Å; Y237-P313 HydrophobicContact CD2-CB 3.68Å; Y237-P313 HydrophobicContact CD2-CG 4.12Å; Y237-P313 HydrophobicContact CG-CB 4.22Å; P313-E315 PolarHBondContact O-N 3.14Å
314	P	62.6	Low	57.9	Low	15 Å²	15	56.8 Å²	56.8	10%	0.097	28%	0.278	C	S	.	.			trans	-62.6	135	175.5	25.1	-31.7	0	0	0	110.9	F306 Q307	F306-P314 HydrophobicContact CB-CG 3.89Å; F306-P314 HydrophobicContact CD1-CG 3.67Å; F306-P314 HydrophobicContact CG-CG 4.26Å; Q307-P314 WeakPolarHBondContact O-CB 3.46Å; Q307-P314 WeakPolarHBondContact O-CD 3.44Å; Q307-P314 WeakPolarHBondContact O-CG 3.5Å
315	E	57.9	Low	57.1	Low	198 Å²	198	58.6 Å²	58.6	93%	0.925	30%	0.297	S	S	*	.	S	Bend	trans	-71	-31.2	-179.4	-69.1	-176.2	167.7	0	0	112.6	P313	P313-E315 PolarHBondContact O-N 3.14Å
316	S	57.5	Low	56.3	Low	82 Å²	82	66 Å²	66	57%	0.573	33%	0.332	S	S	*	.	S	Bend	trans	-139.5	95	-179.1	60.3	0	0	0	0	110.6
317	P	62.3	Low	55.3	Low	17 Å²	17	69.9 Å²	69.9	11%	0.11	36%	0.356	C	S	.	.			trans	-68.2	143.3	170.4	30.7	-33.3	0	0	0	109.6	I247 L305 F306	I247-P317 HydrophobicContact CB-CG 4.24Å; I247-P317 HydrophobicContact CD1-CG 3.43Å; I247-P317 VanDerWaalsContact CD1-CG 3.43Å; I247-P317 HydrophobicContact CG1-CG 3.35Å; I247-P317 HydrophobicContact CG2-CG 3.97Å; L305-P317 VanDerWaalsContact O-CA 3.26Å; L305-P317 WeakPolarHBondContact O-CA 3.29Å; L305-P317 WeakPolarHBondContact O-CB 3.17Å; F306-P317 HydrophobicContact CD1-CB 3.66Å; F306-P317 HydrophobicContact CD1-CG 4.24Å; F306-P317 HydrophobicContact CD2-CB 4.35Å; F306-P317 HydrophobicContact CE1-CB 3.45Å; F306-P317 VanDerWaalsContact CE1-CB 3.45Å; F306-P317 HydrophobicContact CE1-CG 3.62Å; F306-P317 HydrophobicContact CE2-CB 4.2Å; F306-P317 HydrophobicContact CG-CB 4.09Å; F306-P317 HydrophobicContact CZ-CB 3.72Å; F306-P317 HydrophobicContact CZ-CG 3.96Å
318	Q	54.7	Low	54.2	Low	73 Å²	73	75.1 Å²	75.1	34%	0.341	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	135.3	-179.3	-69.7	-177.9	-8.9	0	0	109.9	S304 L305 L320 Y346	S304-Q318 CarbonylContact C-O 3.42Å; S304-Q318 WeakPolarHBondContact CA-O 3.18Å; L305-Q318 PolarHBondContact N-O 2.97Å; L305-Q318 PolarHBondContact O-N 2.97Å; L305-Q318 VanDerWaalsContact O-N 3.09Å; Q318-L320 PolarHBondContact O-N 3.12Å; Q318-Y346 PolarHBondContact OE1-OH 3.36Å
319	I	55.3	Low	53.3	Low	43 Å²	43	75.9 Å²	75.9	22%	0.221	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	115.8	172.1	-67.9	165.6	0	0	0	107.6	I247 F248 F251 V302	I247-I319 HydrophobicContact CG2-CD1 4.38Å; I247-I319 HydrophobicContact CG2-CG1 4.34Å; I247-I319 WeakPolarHBondContact O-CD1 3.41Å; F248-I319 HydrophobicContact CD1-CD1 3.74Å; F248-I319 HydrophobicContact CD1-CG1 4.44Å; F248-I319 HydrophobicContact CE1-CD1 4.16Å; F248-I319 HydrophobicContact CE1-CG1 4.38Å; F251-I319 HydrophobicContact CB-CD1 3.33Å; F251-I319 HydrophobicContact CD1-CD1 4.16Å; F251-I319 HydrophobicContact CD2-CD1 4.33Å; F251-I319 HydrophobicContact CG-CD1 3.68Å; V302-I319 HydrophobicContact CG1-CB 4.26Å; V302-I319 HydrophobicContact CG1-CD1 4.39Å; V302-I319 HydrophobicContact CG1-CG1 3.96Å; V302-I319 HydrophobicContact CG1-CG2 3.46Å; V302-I319 VanDerWaalsContact CG1-CG2 3.46Å
320	L	43.5	Very low	52.1	Low	43 Å²	43	77.1 Å²	77.1	23%	0.225	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	-42.2	-179.8	-73.9	169	0	0	0	111.6	A286 V303 L305 Q318 Y346	A286-L320 HydrophobicContact CB-CD1 4.37Å; V303-L320 HydrophobicContact CB-CB 4.38Å; V303-L320 HydrophobicContact CG1-CB 4.31Å; V303-L320 HydrophobicContact CG1-CD1 3.73Å; V303-L320 WeakPolarHBondContact O-CB 3.5Å; V303-L320 PolarHBondContact O-N 3.23Å; L305-L320 HydrophobicContact CB-CD1 3.79Å; L305-L320 HydrophobicContact CB-CD2 4.33Å; L305-L320 HydrophobicContact CB-CG 3.9Å; L305-L320 HydrophobicContact CD1-CD1 3.72Å; L305-L320 HydrophobicContact CD1-CD2 4.4Å; L305-L320 HydrophobicContact CD1-CG 4.43Å; L305-L320 HydrophobicContact CG-CD1 4.39Å; Q318-L320 PolarHBondContact O-N 3.12Å; L320-Y346 HydrophobicContact CD2-CD1 4.43Å; L320-Y346 HydrophobicContact CD2-CE1 3.65Å
321	F	47.8	Very low	51	Low	65 Å²	65	80.3 Å²	80.3	29%	0.285	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-166.7	163.9	176	68.7	-90.5	0	0	0	111.2	V302 V303 M323	V302-F321 WeakPolarHBondContact CA-O 3.35Å; V303-F321 HydrophobicContact CB-CD1 3.81Å; V303-F321 HydrophobicContact CB-CE1 3.43Å; V303-F321 VanDerWaalsContact CB-CE1 3.43Å; V303-F321 HydrophobicContact CB-CZ 3.88Å; V303-F321 HydrophobicContact CG1-CE1 4.14Å; V303-F321 HydrophobicContact CG2-CD1 4.05Å; V303-F321 HydrophobicContact CG2-CE1 3.21Å; V303-F321 HydrophobicContact CG2-CE2 3.92Å; V303-F321 HydrophobicContact CG2-CZ 3.14Å; V303-F321 PolarHBondContact N-O 3.17Å; F321-M323 HydrophobicContact CD2-CG 4.4Å; F321-M323 HydrophobicContact CE2-CG 4.46Å
322	H	48.1	Very low	50.3	Low	26 Å²	26	72 Å²	72	12%	0.12	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	157.4	170.7	71.4	-68.3	0	0	0	112.6	F251 Q255 F300 H301 V302	F251-H322 HydrophobicContact CE2-CB 3.54Å; F251-H322 AromaticContact CE2-CD2 3.54Å; F251-H322 AromaticContact CE2-CE1 3.87Å; F251-H322 AromaticContact CE2-CG 3.26Å; F251-H322 AromaticContact CE2-ND1 3.52Å; F251-H322 AromaticContact CE2-NE2 3.91Å; F251-H322 HydrophobicContact CZ-CB 3.45Å; F251-H322 VanDerWaalsContact CZ-CB 3.45Å; F251-H322 AromaticContact CZ-CD2 3.58Å; F251-H322 AromaticContact CZ-CG 3.51Å; Q255-H322 PolarHBondContact NE2-CE1 2.66Å; Q255-H322 PolarHBondContact OE1-CE1 2.92Å; Q255-H322 PolarHBondContact OE1-NE2 3.38Å; F300-H322 AromaticContact CD1-CD2 3.9Å; H301-H322 CarbonylContact O-C 3.51Å; H301-H322 WeakPolarHBondContact O-CA 3.1Å; V302-H322 HydrophobicContact CG2-CB 4.07Å
323	M	49.7	Very low	49.6	Very low	31 Å²	31	77 Å²	77	15%	0.153	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	141.2	169.1	-57.6	-173.2	-56.2	0	0	110.7	F300 H301 F321 L329 V368	F300-M323 WeakPolarHBondContact CA-O 3.44Å; H301-M323 HydrophobicContact CB-CB 4.49Å; H301-M323 HydrophobicContact CB-CE 4.24Å; H301-M323 PolarHBondContact N-O 3.29Å; H301-M323 PolarHBondContact O-N 3.15Å; F321-M323 HydrophobicContact CD2-CG 4.4Å; F321-M323 HydrophobicContact CE2-CG 4.46Å; M323-L329 HydrophobicContact CE-CD1 4.18Å; M323-V368 HydrophobicContact CE-CB 3.93Å; M323-V368 HydrophobicContact CE-CG1 4.3Å; M323-V368 HydrophobicContact SD-CB 3.37Å; M323-V368 WeakPolarHBondContact SD-CB 3.26Å; M323-V368 HydrophobicContact SD-CG1 3.09Å; M323-V368 WeakPolarHBondContact SD-CG1 3.25Å; M323-V368 HydrophobicContact SD-CG2 4.32Å
324	Q	52	Low	48.9	Very low	127 Å²	127	75.8 Å²	75.8	59%	0.593	40%	0.404	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105.7	112.6	174	-169.3	-177	10.2	0	0	108.5	A298 F300	A298-Q324 HydrophobicContact CB-CG 3.6Å; A298-Q324 VanDerWaalsContact CB-NE2 3.26Å; F300-Q324 HydrophobicContact CD1-CB 4.32Å; F300-Q324 HydrophobicContact CE1-CB 4.15Å; F300-Q324 HydrophobicContact CE1-CG 4.17Å
325	G	48.5	Very low	48.1	Very low	39 Å²	39	79 Å²	79	40%	0.402	43%	0.426	S	S	.	.			trans	169.9	164.2	-175.7	0	0	0	0	0	115.2
326	Q	41.7	Very low	47.3	Very low	163 Å²	163	71.8 Å²	71.8	76%	0.762	40%	0.398	S	S	*	.			trans	-57.1	147.3	-161.4	-69.5	-150.7	-16.1	0	0	116.2	E328	Q326-E328 PolarHBondContact O-N 3.22Å
327	P	43.4	Very low	46.5	Very low	80 Å²	80	70.7 Å²	70.7	52%	0.519	39%	0.394	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.5	9.4	-167.9	29.1	-36.8	0	0	0	116.4	I299 L329	I299-P327 HydrophobicContact CD1-CB 4.42Å; P327-L329 VanDerWaalsContact C-N 3.28Å; P327-L329 PolarHBondContact O-N 3.19Å
328	E	39.9	Very low	45.1	Very low	142 Å²	142	74.6 Å²	74.6	66%	0.664	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.7	11.1	-177.3	-70.6	-166.4	166.6	0	0	114.4	Q326 S330	Q326-E328 PolarHBondContact O-N 3.22Å; E328-S330 PolarHBondContact O-N 3Å
329	L	42.6	Very low	44.2	Very low	21 Å²	21	77.9 Å²	77.9	11%	0.11	42%	0.423	C	S	.	.			trans	-70.2	28.5	180	-76	162.2	0	0	0	114.5	M323 P327 I332 N366	M323-L329 HydrophobicContact CE-CD1 4.18Å; P327-L329 VanDerWaalsContact C-N 3.28Å; P327-L329 PolarHBondContact O-N 3.19Å; L329-I332 HydrophobicContact CB-CD1 3.65Å; L329-I332 HydrophobicContact CB-CG1 4.39Å; L329-I332 HydrophobicContact CD1-CD1 4.5Å; L329-I332 HydrophobicContact CD2-CD1 3.69Å; L329-I332 HydrophobicContact CG-CD1 4.12Å; L329-I332 WeakPolarHBondContact O-CB 3.25Å; L329-I332 WeakPolarHBondContact O-CD1 3.39Å; L329-I332 WeakPolarHBondContact O-CG1 3.37Å; L329-I332 PolarHBondContact O-N 2.99Å; L329-I332 VanDerWaalsContact O-N 3.13Å; L329-N366 WeakPolarHBondContact CD2-O 3.25Å
330	S	36.7	Very low	43.2	Very low	102 Å²	102	77.5 Å²	77.5	71%	0.713	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.1	132	175.3	73.7	0	0	0	0	111.5	E328	E328-S330 PolarHBondContact O-N 3Å
331	P	41.3	Very low	42.6	Very low	128 Å²	128	76.2 Å²	76.2	83%	0.831	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	cis	-102.5	100.5	9.3	34.4	-25.9	0	0	0	112.8
332	I	46.2	Very low	41.7	Very low	50 Å²	50	73.6 Å²	73.6	26%	0.256	41%	0.405	S	S	.	.			trans	-71.8	136.5	161.2	-74.9	172.7	0	0	0	109.5	L288 L329	L288-I332 HydrophobicContact CD2-CB 4.21Å; L288-I332 HydrophobicContact CD2-CG2 3.51Å; L329-I332 HydrophobicContact CB-CD1 3.65Å; L329-I332 HydrophobicContact CB-CG1 4.39Å; L329-I332 HydrophobicContact CD1-CD1 4.5Å; L329-I332 HydrophobicContact CD2-CD1 3.69Å; L329-I332 HydrophobicContact CG-CD1 4.12Å; L329-I332 WeakPolarHBondContact O-CB 3.25Å; L329-I332 WeakPolarHBondContact O-CD1 3.39Å; L329-I332 WeakPolarHBondContact O-CG1 3.37Å; L329-I332 PolarHBondContact O-N 2.99Å; L329-I332 VanDerWaalsContact O-N 3.13Å
333	R	47.5	Very low	40.7	Very low	123 Å²	123	74.2 Å²	74.2	46%	0.464	42%	0.418	S	S	.	.			trans	-114.9	137.2	168.1	-77	-85	-171.9	164.6	1.9	109.6	D76 D277	D76-R333 VanDerWaalsContact CG-NH2 3.34Å; D76-R333 IonicContact OD1-CZ 2.64Å; D76-R333 IonicContact OD1-NH1 2.76Å; D76-R333 PolarHBondContact OD1-NH1 2.82Å; D76-R333 IonicContact OD1-NH2 3.07Å; D76-R333 PolarHBondContact OD1-NH2 2.79Å; D76-R333 IonicContact OD2-CZ 2.79Å; D76-R333 VanDerWaalsContact OD2-CZ 3.32Å; D76-R333 IonicContact OD2-NH1 3.92Å; D76-R333 PolarHBondContact OD2-NH1 3.25Å; D76-R333 IonicContact OD2-NH2 2.81Å; D76-R333 PolarHBondContact OD2-NH2 2.98Å; D277-R333 WeakPolarHBondContact OD2-CA 3.22Å; D277-R333 WeakPolarHBondContact OD2-CD 3.07Å
334	L	48.8	Very low	39.6	Very low	23 Å²	23	76.1 Å²	76.1	12%	0.12	43%	0.428	C	S	.	.	P	Polyproline II helix	trans	-87.9	117.1	171.9	-153.8	75.7	0	0	0	108.3	D277 C279 A286 L288 V303	D277-L334 HydrophobicContact CB-CB 4.34Å; D277-L334 PolarHBondContact OD2-N 3.45Å; C279-L334 HydrophobicContact CB-CB 4.22Å; C279-L334 HydrophobicContact CB-CD2 4.14Å; C279-L334 HydrophobicContact CB-CG 4.27Å; C279-L334 WeakPolarHBondContact CB-O 3.35Å; C279-L334 WeakPolarHBondContact SG-CD2 3.46Å; A286-L334 HydrophobicContact CB-CD2 3.61Å; A286-L334 WeakPolarHBondContact O-CD2 3.42Å; L288-L334 HydrophobicContact CB-CD1 4.34Å; V303-L334 HydrophobicContact CG1-CD1 4.46Å; V303-L334 HydrophobicContact CG1-CD2 4.31Å; V303-L334 HydrophobicContact CG2-CD1 3.97Å
335	C	44	Very low	38.5	Very low	83 Å²	83	72 Å²	72	56%	0.561	42%	0.416	S	S	*	.	P	Polyproline II helix	trans	-101.4	119.7	175.4	-66.7	0	0	0	0	109.1
336	S	42.7	Very low	37.5	Very low	47 Å²	47	75.7 Å²	75.7	33%	0.329	42%	0.419	S	S	.	.	P	Polyproline II helix	trans	-84.2	125	166.1	51.2	0	0	0	0	109	C279 S280 L340	C279-S336 VanDerWaalsContact SG-CB 3.57Å; S280-S336 PolarHBondContact O-OG 3.33Å; S280-S336 VanDerWaalsContact O-OG 3.08Å; S336-L340 VanDerWaalsContact CB-CD1 3.49Å
337	A	39.6	Very low	36.8	Very low	59 Å²	59	71.2 Å²	71.2	49%	0.488	41%	0.406	S	S	.	.	P	Polyproline II helix	trans	-82	157	150.2	0	0	0	0	0	107.7	S281 W339	S281-A337 WeakPolarHBondContact CB-O 3.37Å; S281-A337 PolarHBondContact OG-O 3.46Å; A337-W339 VanDerWaalsContact CB-CD1 3.44Å; A337-W339 HydrophobicContact CB-CG 4.49Å; A337-W339 PolarHBondContact O-N 3.49Å
338	D	33.6	Very low	35.9	Very low	98 Å²	98	71.5 Å²	71.5	52%	0.524	41%	0.409	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.4	4	-177.5	-76.8	-34.4	0	0	0	114.6	S281	S281-D338 WeakPolarHBondContact OG-CA 3.4Å; S281-D338 PolarHBondContact OG-O 3.08Å
339	W	35.5	Very low	35.2	Very low	142 Å²	142	73 Å²	73	54%	0.538	41%	0.414	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.2	8.6	-172.1	-42.6	99.8	0	0	0	115.2	A337 S342 H461	A337-W339 VanDerWaalsContact CB-CD1 3.44Å; A337-W339 HydrophobicContact CB-CG 4.49Å; A337-W339 PolarHBondContact O-N 3.49Å; W339-S342 PolarHBondContact O-N 3.5Å; W339-S342 PolarHBondContact O-OG 3.3Å; W339-H461 HydrophobicContact CE3-CB 4.24Å; W339-H461 AromaticContact CE3-CD2 3.41Å; W339-H461 VanDerWaalsContact CE3-CD2 3.41Å; W339-H461 AromaticContact CE3-CG 3.99Å; W339-H461 HydrophobicContact CZ3-CB 3.95Å; W339-H461 AromaticContact CZ3-CD2 3.48Å; W339-H461 VanDerWaalsContact CZ3-CD2 3.48Å; W339-H461 WeakPolarHBondContact CZ3-CD2 3.34Å
340	L	33.7	Very low	34.3	Very low	36 Å²	36	75.5 Å²	75.5	19%	0.188	43%	0.43	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-35	-175	-82.9	167.2	0	0	0	115.4	S281 A286 L305 S336	S281-L340 PolarHBondContact OG-N 3.19Å; A286-L340 HydrophobicContact CB-CD1 4.43Å; L305-L340 HydrophobicContact CD1-CD2 4.46Å; S336-L340 VanDerWaalsContact CB-CD1 3.49Å
341	P	31.2	Very low	33.9	Very low	16 Å²	16	74.8 Å²	74.8	10%	0.104	42%	0.418	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.4	-9.7	-180	-3.1	18.9	0	0	0	114	S281 A284 W535	S281-P341 WeakPolarHBondContact O-CG 3.24Å; S281-P341 WeakPolarHBondContact OG-CD 2.93Å; A284-P341 HydrophobicContact CB-CG 4.47Å; P341-W535 HydrophobicContact CB-CH2 3.6Å; P341-W535 HydrophobicContact CB-CZ2 3.55Å; P341-W535 WeakPolarHBondContact O-CZ2 3.42Å; P341-W535 PolarHBondContact O-NE1 2.96Å
342	S	29.1	Very low	33	Very low	10 Å²	10	76.4 Å²	76.4	7%	0.07	41%	0.414	C	S	.	.	S	Bend	trans	-104.7	88.7	-169	55.8	0	0	0	0	113	W339 I344 H461	W339-S342 PolarHBondContact O-N 3.5Å; W339-S342 PolarHBondContact O-OG 3.3Å; S342-I344 PolarHBondContact O-N 3.06Å; S342-H461 VanDerWaalsContact CB-ND1 3.32Å; S342-H461 WeakPolarHBondContact CB-ND1 3.45Å; S342-H461 PolarHBondContact O-CE1 3.23Å; S342-H461 PolarHBondContact OG-CE1 2.81Å; S342-H461 PolarHBondContact OG-ND1 2.69Å
343	G	27.9	Very low	32	Very low	38 Å²	38	77.6 Å²	77.6	39%	0.392	43%	0.426	S	S	.	.			trans	72.3	23.8	153.7	0	0	0	0	0	117.5	A345	G343-A345 PolarHBondContact O-N 2.83Å
344	I	26.7	Very low	30.8	Very low	71 Å²	71	76.2 Å²	76.2	36%	0.364	44%	0.435	S	S	.	.	P	Polyproline II helix	trans	-76.3	124.9	175.3	-59.6	178.2	0	0	0	109.5	S342 Y346 T372	S342-I344 PolarHBondContact O-N 3.06Å; I344-Y346 WeakPolarHBondContact O-CD2 3.33Å; I344-Y346 WeakPolarHBondContact O-CE2 3.3Å; I344-T372 HydrophobicContact CG2-CG2 4.04Å; I344-T372 WeakPolarHBondContact CG2-OG1 3.3Å
345	A	28.6	Very low	29.6	Very low	42 Å²	42	79.2 Å²	79.2	35%	0.347	45%	0.451	S	S	.	.	P	Polyproline II helix	trans	-58.2	136.3	-173.7	0	0	0	0	0	113.7	G343 T372	G343-A345 PolarHBondContact O-N 2.83Å; A345-T372 VanDerWaalsContact O-CB 3.3Å; A345-T372 WeakPolarHBondContact O-CB 3.24Å; A345-T372 WeakPolarHBondContact O-CG2 3.27Å
346	Y	27.7	Very low	28.8	Very low	115 Å²	115	79.1 Å²	79.1	45%	0.451	44%	0.444	S	S	.	.	P	Polyproline II helix	trans	-102.6	128.3	175.2	-61.7	-91.1	0	0	0	109.8	Q318 L320 I344	Q318-Y346 PolarHBondContact OE1-OH 3.36Å; L320-Y346 HydrophobicContact CD2-CD1 4.43Å; L320-Y346 HydrophobicContact CD2-CE1 3.65Å; I344-Y346 WeakPolarHBondContact O-CD2 3.33Å; I344-Y346 WeakPolarHBondContact O-CE2 3.3Å
347	S	26.1	Very low	28	Very low	69 Å²	69	82.8 Å²	82.8	48%	0.483	46%	0.46	S	S	.	.			trans	-117.3	126.3	162.8	167	0	0	0	0	107.9	K349	S347-K349 PolarHBondContact O-N 3.28Å; S347-K349 PolarHBondContact OG-N 3.22Å; S347-K349 VanDerWaalsContact OG-N 3.07Å
348	S	24.8	Very low	27.6	Very low	86 Å²	86	86.8 Å²	86.8	60%	0.601	48%	0.478	S	S	*	.			trans	-73.8	-9.5	169.2	60.8	0	0	0	0	112.8	V350	S348-V350 PolarHBondContact O-N 2.92Å
349	K	24.1	Very low	27.5	Very low	173 Å²	173	86.5 Å²	86.5	75%	0.752	48%	0.48	S	S	*	.	S	Bend	trans	-80.2	124.5	-176	-67.8	-172.7	177.6	-177.1	0	112.2	S347 L351	S347-K349 PolarHBondContact O-N 3.28Å; S347-K349 PolarHBondContact OG-N 3.22Å; S347-K349 VanDerWaalsContact OG-N 3.07Å; K349-L351 PolarHBondContact O-N 3.24Å
350	V	24	Very low	27.2	Very low	74 Å²	74	86.3 Å²	86.3	45%	0.448	49%	0.485	S	S	.	.			trans	-46.7	121.2	172.4	-173.8	0	0	0	0	112	S348	S348-V350 PolarHBondContact O-N 2.92Å
351	L	28	Very low	27	Very low	88 Å²	88	89.8 Å²	89.8	46%	0.461	51%	0.51	S	S	.	.			trans	-87.5	103.5	162.9	-92.7	153.6	0	0	0	108.7	K349	K349-L351 PolarHBondContact O-N 3.24Å
352	Q	23.3	Very low	27	Very low	161 Å²	161	97.7 Å²	97.7	75%	0.752	55%	0.545	S	S	*	.			trans	-88.6	103.9	163.6	-155.5	176.7	4.6	0	0	107.5	S354	Q352-S354 PolarHBondContact O-N 3.15Å
353	C	25	Very low	26.9	Very low	76 Å²	76	100.7 Å²	100.7	51%	0.514	57%	0.565	S	S	.	*			trans	-76.3	87.1	178.2	-157.7	0	0	0	0	109.3
354	S	21.6	Very low	26.7	Very low	93 Å²	93	105.8 Å²	105.8	65%	0.65	58%	0.582	S	S	*	*			trans	-102.7	58.7	163.1	67.3	0	0	0	0	109.3	Q352	Q352-S354 PolarHBondContact O-N 3.15Å
355	I	24.4	Very low	26.7	Very low	87 Å²	87	106.4 Å²	106.4	45%	0.446	59%	0.589	S	S	.	*			trans	-95.9	111.6	166.1	-38.7	171.3	0	0	0	105.1	F387	I355-F387 HydrophobicContact CD1-CD1 3.71Å; I355-F387 HydrophobicContact CD1-CE1 3.41Å; I355-F387 VanDerWaalsContact CD1-CE1 3.41Å; I355-F387 HydrophobicContact CG1-CD1 4.24Å; I355-F387 HydrophobicContact CG1-CE1 3.56Å; I355-F387 HydrophobicContact CG1-CZ 4.42Å; I355-F387 HydrophobicContact CG2-CE1 4.15Å
356	I	27.7	Very low	26.5	Very low	81 Å²	81	109 Å²	109	42%	0.415	60%	0.597	S	S	.	*				162.4	118.4	113.7	-75	166.5	0	0	0	108.4	T358 C363 V365	I356-T358 PolarHBondContact O-N 3.36Å; I356-C363 HydrophobicContact CD1-CB 3.55Å; I356-C363 HydrophobicContact CG2-CB 4.4Å; I356-V365 HydrophobicContact CD1-CG2 4.32Å
357	D	26	Very low	26.4	Very low	124 Å²	124	107.8 Å²	107.8	66%	0.663	60%	0.598	S	S	*	*			trans	-42.6	119.9	163.5	-156.3	-4.9	0	0	0	110.7	T359	D357-T359 PolarHBondContact O-N 3.1Å
358	T	29.5	Very low	26.4	Very low	143 Å²	143	107 Å²	107	88%	0.877	59%	0.591	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.6	14.5	-171.8	45.5	0	0	0	0	114.7	I356	I356-T358 PolarHBondContact O-N 3.36Å
359	T	32.4	Very low	26.6	Very low	91 Å²	91	106.8 Å²	106.8	56%	0.558	58%	0.582	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.9	-15.9	-178.1	53.3	0	0	0	0	113.5	D357	D357-T359 PolarHBondContact O-N 3.1Å
360	H	29.1	Very low	26.8	Very low	139 Å²	139	102.7 Å²	102.7	64%	0.644	57%	0.567	S	S	*	*			trans	-116.9	99	175.3	-70.9	-62.2	0	0	0	112.8	E362	H360-E362 PolarHBondContact O-N 3.2Å; H360-E362 VanDerWaalsContact O-N 3.08Å
361	P	30.7	Very low	26.9	Very low	109 Å²	109	100.3 Å²	100.3	71%	0.708	56%	0.558	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.3	1.3	-176	29	-34.2	0	0	0	114.7
362	E	29.9	Very low	26.9	Very low	182 Å²	182	99 Å²	99	85%	0.85	55%	0.554	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85	-10.2	179	-60.8	-158.9	-168.5	0	0	114	H360 I364	H360-E362 PolarHBondContact O-N 3.2Å; H360-E362 VanDerWaalsContact O-N 3.08Å; E362-I364 PolarHBondContact O-N 3.01Å
363	C	26.5	Very low	26.9	Very low	73 Å²	73	92.7 Å²	92.7	49%	0.493	53%	0.531	S	S	.	.			trans	-99.5	62.5	176.2	-75.2	0	0	0	0	111.9	I356 V365	I356-C363 HydrophobicContact CD1-CB 3.55Å; I356-C363 HydrophobicContact CG2-CB 4.4Å; C363-V365 HydrophobicContact CB-CG2 4.25Å; C363-V365 PolarHBondContact O-N 3.45Å
364	I	24.1	Very low	26.9	Very low	144 Å²	144	96.4 Å²	96.4	74%	0.738	54%	0.539	S	S	*	.			trans	-83.2	91.4	162.9	-55.6	171.9	0	0	0	106.1	E362 N366	E362-I364 PolarHBondContact O-N 3.01Å; I364-N366 PolarHBondContact O-N 3.4Å
365	V	26.7	Very low	27.1	Very low	85 Å²	85	98.1 Å²	98.1	52%	0.515	53%	0.534	S	S	.	.			trans	-90.1	94.6	-172.4	-174.8	0	0	0	0	109.8	I356 C363 D367	I356-V365 HydrophobicContact CD1-CG2 4.32Å; C363-V365 HydrophobicContact CB-CG2 4.25Å; C363-V365 PolarHBondContact O-N 3.45Å; V365-D367 VanDerWaalsContact C-N 3.29Å; V365-D367 WeakPolarHBondContact CG1-O 3.47Å
366	N	25.1	Very low	27.1	Very low	97 Å²	97	100.3 Å²	100.3	52%	0.519	55%	0.546	S	S	.	.			trans	-87.2	10.6	165.4	-87.7	3.6	0	0	0	112.9	L329 I364	L329-N366 WeakPolarHBondContact CD2-O 3.25Å; I364-N366 PolarHBondContact O-N 3.4Å
367	D	24.9	Very low	27.1	Very low	89 Å²	89	104.4 Å²	104.4	48%	0.476	56%	0.563	S	S	.	*			trans	-135.6	118	-172.2	-61.2	-47.7	0	0	0	111.8	V365 A401	V365-D367 VanDerWaalsContact C-N 3.29Å; V365-D367 WeakPolarHBondContact CG1-O 3.47Å; D367-A401 HydrophobicContact CB-CB 4.24Å; D367-A401 WeakPolarHBondContact OD2-CB 3.23Å
368	V	26.3	Very low	27	Very low	53 Å²	53	107 Å²	107	32%	0.321	57%	0.571	S	S	.	*			trans	-122.9	113.8	-174.1	-172.7	0	0	0	0	114	M323	M323-V368 HydrophobicContact CE-CB 3.93Å; M323-V368 HydrophobicContact CE-CG1 4.3Å; M323-V368 HydrophobicContact SD-CB 3.37Å; M323-V368 WeakPolarHBondContact SD-CB 3.26Å; M323-V368 HydrophobicContact SD-CG1 3.09Å; M323-V368 WeakPolarHBondContact SD-CG1 3.25Å; M323-V368 HydrophobicContact SD-CG2 4.32Å
369	I	29.4	Very low	26.8	Very low	80 Å²	80	109 Å²	109	41%	0.41	57%	0.571	S	S	.	*			trans	50.2	134	130.5	-48.4	170.8	0	0	0	122.9
370	I	27.6	Very low	26.5	Very low	88 Å²	88	115.9 Å²	115.9	45%	0.451	59%	0.586	S	S	.	*			trans	-132.7	126.2	160.4	-60.5	171.4	0	0	0	108.2
371	G	27.1	Very low	26.5	Very low	24 Å²	24	115 Å²	115	25%	0.247	60%	0.596	C	S	.	*			trans	160.7	122.6	167.2	0	0	0	0	0	114.6
372	T	27	Very low	26.3	Very low	61 Å²	61	114.4 Å²	114.4	37%	0.374	59%	0.591	S	S	.	*			trans	-100.6	129.7	-179.1	55	0	0	0	0	111.2	I344 A345	I344-T372 HydrophobicContact CG2-CG2 4.04Å; I344-T372 WeakPolarHBondContact CG2-OG1 3.3Å; A345-T372 VanDerWaalsContact O-CB 3.3Å; A345-T372 WeakPolarHBondContact O-CB 3.24Å; A345-T372 WeakPolarHBondContact O-CG2 3.27Å
373	G	24.9	Very low	26.1	Very low	27 Å²	27	112.3 Å²	112.3	28%	0.278	59%	0.592	S	S	.	*			trans	-167.9	129.3	170.9	0	0	0	0	0	111.1	S388	G373-S388 WeakPolarHBondContact O-CA 3.38Å; G373-S388 VanDerWaalsContact O-CB 3.22Å; G373-S388 WeakPolarHBondContact O-CB 3.32Å
374	K	24.3	Very low	26	Very low	155 Å²	155	114.9 Å²	114.9	67%	0.674	60%	0.601	S	S	*	*			trans	-89	126.2	179.9	-169.7	-176.9	179.1	-170.9	0	109.2
375	F	26.5	Very low	26	Very low	128 Å²	128	110.6 Å²	110.6	56%	0.561	58%	0.584	S	S	*	*			trans	-98.8	134.4	171.7	-150.8	-91.7	0	0	0	109.6	Q377	F375-Q377 HydrophobicContact CD1-CB 3.96Å; F375-Q377 HydrophobicContact CE1-CB 3.76Å; F375-Q377 HydrophobicContact CE1-CG 3.94Å
376	I	24.4	Very low	26	Very low	133 Å²	133	116.4 Å²	116.4	68%	0.682	60%	0.598	S	S	*	*			trans	-113.5	118.2	165.6	-63.1	163.4	0	0	0	104.8
377	Q	26.3	Very low	25.9	Very low	167 Å²	167	117 Å²	117	78%	0.78	60%	0.596	S	S	*	*			trans	-118.3	130.8	166.4	-148.9	175.5	4.6	0	0	109.6	F375	F375-Q377 HydrophobicContact CD1-CB 3.96Å; F375-Q377 HydrophobicContact CE1-CB 3.76Å; F375-Q377 HydrophobicContact CE1-CG 3.94Å
378	E	25.1	Very low	26	Very low	178 Å²	178	114.3 Å²	114.3	83%	0.832	58%	0.584	S	S	*	*			trans	-64.3	146.9	170.1	-70.7	174.4	158.5	0	0	111	R380	E378-R380 PolarHBondContact O-N 2.99Å
379	E	24.2	Very low	26	Very low	186 Å²	186	114.5 Å²	114.5	87%	0.869	59%	0.585	S	S	*	*			trans	-30.2	119.6	-177.8	-61.4	176.7	151.1	0	0	115.8
380	R	27	Very low	26	Very low	235 Å²	235	111.2 Å²	111.2	89%	0.887	57%	0.571	S	S	*	*			trans	-165.3	114.2	134.7	-104.8	161.9	-165.5	-160.8	5.8	111.6	E378 T382	E378-R380 PolarHBondContact O-N 2.99Å; R380-T382 PolarHBondContact O-N 3.42Å
381	S	29	Very low	26.1	Very low	120 Å²	120	110.8 Å²	110.8	84%	0.839	57%	0.569	S	S	*	*			trans	-26.9	82.2	168.9	52.8	0	0	0	0	117.1
382	T	26.8	Very low	26.1	Very low	98 Å²	98	113.8 Å²	113.8	60%	0.601	58%	0.579	S	S	*	*			trans	-155.5	141.5	145.4	42	0	0	0	0	109.2	R380 L384	R380-T382 PolarHBondContact O-N 3.42Å; T382-L384 VanDerWaalsContact C-N 3.31Å; T382-L384 PolarHBondContact O-N 3.36Å
383	P	25.8	Very low	26.1	Very low	137 Å²	137	117.4 Å²	117.4	89%	0.89	60%	0.595	S	S	*	*			trans	-79.1	82.9	-178	32.5	-31	0	0	0	108.8
384	L	23.7	Very low	26.5	Very low	128 Å²	128	119.6 Å²	119.6	67%	0.67	60%	0.601	S	S	*	*			trans	-101.8	128	175.9	-85.1	156.7	0	0	0	110.3	T382	T382-L384 VanDerWaalsContact C-N 3.31Å; T382-L384 PolarHBondContact O-N 3.36Å
385	S	24.9	Very low	26.7	Very low	54 Å²	54	117.7 Å²	117.7	38%	0.378	59%	0.59	S	S	.	*			trans	-41	126.5	-179.4	44.2	0	0	0	0	113.8	F387	S385-F387 WeakPolarHBondContact O-CD2 3.37Å; S385-F387 WeakPolarHBondContact O-CE2 3.18Å; S385-F387 WeakPolarHBondContact OG-CE2 3.42Å; S385-F387 WeakPolarHBondContact OG-CZ 3.23Å
386	Y	26.4	Very low	27.2	Very low	206 Å²	206	113.3 Å²	113.3	81%	0.808	57%	0.571	S	S	*	*			trans	-75.7	121.4	178.7	-57.2	-85.4	0	0	0	110.5
387	F	23	Very low	27.7	Very low	110 Å²	110	107.6 Å²	107.6	48%	0.482	54%	0.544	S	S	.	.			trans	-106.7	127.8	177	-60.6	-92.6	0	0	0	110.1	I355 S385	I355-F387 HydrophobicContact CD1-CD1 3.71Å; I355-F387 HydrophobicContact CD1-CE1 3.41Å; I355-F387 VanDerWaalsContact CD1-CE1 3.41Å; I355-F387 HydrophobicContact CG1-CD1 4.24Å; I355-F387 HydrophobicContact CG1-CE1 3.56Å; I355-F387 HydrophobicContact CG1-CZ 4.42Å; I355-F387 HydrophobicContact CG2-CE1 4.15Å; S385-F387 WeakPolarHBondContact O-CD2 3.37Å; S385-F387 WeakPolarHBondContact O-CE2 3.18Å; S385-F387 WeakPolarHBondContact OG-CE2 3.42Å; S385-F387 WeakPolarHBondContact OG-CZ 3.23Å
388	S	26.3	Very low	28.1	Very low	33 Å²	33	101 Å²	101	23%	0.231	52%	0.516	C	S	.	.			trans	-117.3	129.4	171.9	-36.7	0	0	0	0	109.2	G373	G373-S388 WeakPolarHBondContact O-CA 3.38Å; G373-S388 VanDerWaalsContact O-CB 3.22Å; G373-S388 WeakPolarHBondContact O-CB 3.32Å
389	V	25.5	Very low	28.6	Very low	56 Å²	56	96.7 Å²	96.7	34%	0.339	49%	0.492	S	S	.	.			trans	-146	137.9	-174.6	-174.3	0	0	0	0	109.9	I396	V389-I396 HydrophobicContact CB-CD1 4.36Å; V389-I396 HydrophobicContact CB-CG1 4.37Å; V389-I396 HydrophobicContact CG1-CB 3.88Å; V389-I396 HydrophobicContact CG1-CD1 3.87Å; V389-I396 HydrophobicContact CG1-CG1 3.6Å; V389-I396 HydrophobicContact CG1-CG2 3.16Å
390	G	30.4	Very low	28.8	Very low	12 Å²	12	91.5 Å²	91.5	12%	0.124	47%	0.47	C	S	.	.			trans	-83.6	142.6	176.7	0	0	0	0	0	112.9	I396 A397	G390-I396 WeakPolarHBondContact O-CA 3.49Å; G390-A397 PolarHBondContact O-N 2.95Å
391	I	28.8	Very low	29	Very low	78 Å²	78	81.9 Å²	81.9	40%	0.4	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	125.8	-176.5	-57.2	173	0	0	0	110	R395 I396 R421	I391-R395 CarbonylContact C-O 3.56Å; I391-R395 WeakPolarHBondContact CA-O 3.22Å; I391-I396 HydrophobicContact CG1-CG1 4.38Å; I391-R421 VanDerWaalsContact CG2-NH1 3.3Å
392	I	28.7	Very low	28.8	Very low	88 Å²	88	82.4 Å²	82.4	45%	0.451	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	124	167.8	-58.2	178.3	0	0	0	107.6	N394 R395 A397 L407	I392-N394 PolarHBondContact O-N 3.3Å; I392-R395 PolarHBondContact N-O 3.15Å; I392-R395 PolarHBondContact O-N 3.49Å; I392-A397 HydrophobicContact CB-CB 4.16Å; I392-A397 HydrophobicContact CD1-CB 3.53Å; I392-A397 HydrophobicContact CG1-CB 3.68Å; I392-L407 HydrophobicContact CB-CD2 4.4Å
393	D	27.2	Very low	28.8	Very low	136 Å²	136	84.5 Å²	84.5	73%	0.727	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	43.6	58.9	179.1	-70.4	-14.8	0	0	0	115	R395	D393-R395 PolarHBondContact O-N 3.32Å
394	N	32.5	Very low	29	Very low	73 Å²	73	78 Å²	78	39%	0.39	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	60	11	-178.7	-68.9	-6.2	0	0	0	115.4	I392 R421	I392-N394 PolarHBondContact O-N 3.3Å; N394-R421 WeakPolarHBondContact OD1-CD 3.45Å; N394-R421 PolarHBondContact OD1-NE 3.36Å
395	R	27.9	Very low	29.4	Very low	116 Å²	116	76.4 Å²	76.4	44%	0.438	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	138.3	175.2	-59.4	179.3	-168.6	-177.4	-0.8	108.9	I391 I392 D393 A397 L407 T409	I391-R395 CarbonylContact C-O 3.56Å; I391-R395 WeakPolarHBondContact CA-O 3.22Å; I392-R395 PolarHBondContact N-O 3.15Å; I392-R395 PolarHBondContact O-N 3.49Å; D393-R395 PolarHBondContact O-N 3.32Å; R395-A397 PolarHBondContact O-N 2.98Å; R395-L407 HydrophobicContact CB-CB 3.84Å; R395-L407 HydrophobicContact CB-CD2 3.88Å; R395-L407 HydrophobicContact CB-CG 4.39Å; R395-L407 HydrophobicContact CG-CB 4.31Å; R395-T409 HydrophobicContact CG-CG2 4.38Å
396	I	36.7	Very low	29.7	Very low	35 Å²	35	74.9 Å²	74.9	18%	0.179	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	124.1	169.4	-81.3	168.9	0	0	0	107.4	V389 G390 I391 V398 L407 L408 F410	V389-I396 HydrophobicContact CB-CD1 4.36Å; V389-I396 HydrophobicContact CB-CG1 4.37Å; V389-I396 HydrophobicContact CG1-CB 3.88Å; V389-I396 HydrophobicContact CG1-CD1 3.87Å; V389-I396 HydrophobicContact CG1-CG1 3.6Å; V389-I396 HydrophobicContact CG1-CG2 3.16Å; G390-I396 WeakPolarHBondContact O-CA 3.49Å; I391-I396 HydrophobicContact CG1-CG1 4.38Å; I396-V398 HydrophobicContact CG2-CG2 3.36Å; I396-L407 WeakPolarHBondContact O-CA 3.35Å; I396-L408 HydrophobicContact CB-CB 4.22Å; I396-L408 HydrophobicContact CG2-CB 4.34Å; I396-L408 HydrophobicContact CG2-CD1 3.89Å; I396-L408 HydrophobicContact CG2-CG 4.4Å; I396-L408 PolarHBondContact O-N 3.33Å; I396-F410 HydrophobicContact CD1-CZ 4.34Å
397	A	35.5	Very low	29.9	Very low	14 Å²	14	67.9 Å²	67.9	12%	0.116	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	102.3	174.3	0	0	0	0	0	109	G390 I392 R395 L405 L407	G390-A397 PolarHBondContact O-N 2.95Å; I392-A397 HydrophobicContact CB-CB 4.16Å; I392-A397 HydrophobicContact CD1-CB 3.53Å; I392-A397 HydrophobicContact CG1-CB 3.68Å; R395-A397 PolarHBondContact O-N 2.98Å; A397-L405 HydrophobicContact CB-CD1 4.37Å; A397-L407 HydrophobicContact CB-CD2 4.2Å
398	V	34	Very low	30.2	Very low	29 Å²	29	66.8 Å²	66.8	18%	0.176	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	128.5	171.6	-169.2	0	0	0	0	108.5	I396 L400 T406 L408	I396-V398 HydrophobicContact CG2-CG2 3.36Å; V398-L400 HydrophobicContact CG1-CD2 4.07Å; V398-L400 HydrophobicContact CG1-CG 3.94Å; V398-T406 PolarHBondContact N-O 3.16Å; V398-T406 VanDerWaalsContact N-O 3.08Å; V398-T406 PolarHBondContact O-N 3.41Å; V398-L408 HydrophobicContact CG2-CD1 3.95Å
399	Y	35.5	Very low	30.3	Very low	86 Å²	86	69.5 Å²	69.5	34%	0.337	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	106.4	164.9	-166.3	-89.1	0	0	0	109.4	M1 G404 L405	M1-Y399 WeakPolarHBondContact CE-OH 3.34Å; Y399-G404 VanDerWaalsContact CD2-C 3.5Å; Y399-L405 HydrophobicContact CD2-CB 4.33Å
400	L	29.8	Very low	30.7	Very low	77 Å²	77	72.9 Å²	72.9	40%	0.403	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	128.2	171.4	-66.6	164.4	0	0	0	107.5	V398 K402 R403 G404	V398-L400 HydrophobicContact CG1-CD2 4.07Å; V398-L400 HydrophobicContact CG1-CG 3.94Å; L400-K402 PolarHBondContact O-N 3.31Å; L400-K402 VanDerWaalsContact O-N 3.13Å; L400-R403 HydrophobicContact CB-CB 3.95Å; L400-R403 HydrophobicContact CB-CG 4.43Å; L400-R403 HydrophobicContact CD1-CB 4.12Å; L400-R403 HydrophobicContact CD1-CG 4.03Å; L400-R403 CarbonylContact O-C 3.51Å; L400-R403 PolarHBondContact O-N 3.42Å; L400-G404 PolarHBondContact N-O 2.91Å; L400-G404 VanDerWaalsContact N-O 3.07Å; L400-G404 VanDerWaalsContact O-CA 3.29Å; L400-G404 WeakPolarHBondContact O-CA 3.44Å; L400-G404 PolarHBondContact O-N 3.17Å
401	A	29.6	Very low	30.6	Very low	34 Å²	34	80.6 Å²	80.6	28%	0.281	40%	0.396	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-34	174.9	0	0	0	0	0	112	D367	D367-A401 HydrophobicContact CB-CB 4.24Å; D367-A401 WeakPolarHBondContact OD2-CB 3.23Å
402	K	25.9	Very low	30.7	Very low	130 Å²	130	84.5 Å²	84.5	57%	0.565	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.9	-8.1	164.8	81.7	81.5	166	170.8	0	118.2	R2 P5 L400	R2-K402 HydrophobicContact CB-CB 4.13Å; P5-K402 WeakPolarHBondContact CB-O 3.45Å; P5-K402 HydrophobicContact CG-CB 4.09Å; P5-K402 WeakPolarHBondContact CG-O 3.34Å; L400-K402 PolarHBondContact O-N 3.31Å; L400-K402 VanDerWaalsContact O-N 3.13Å
403	R	26.1	Very low	30.7	Very low	142 Å²	142	85.6 Å²	85.6	54%	0.536	43%	0.425	S	S	.	.	T	Hydrogen-bonded Turn	trans	-148.3	6.8	178.9	-56.2	-148.7	140	156.5	-4.5	116.5	P5 V6 L400 T406	P5-R403 CarbonylContact C-O 3.39Å; P5-R403 HydrophobicContact CB-CB 3.92Å; P5-R403 HydrophobicContact CB-CG 3.84Å; P5-R403 HydrophobicContact CG-CB 4.44Å; P5-R403 WeakPolarHBondContact O-CA 3.41Å; P5-R403 VanDerWaalsContact O-CB 3.31Å; P5-R403 WeakPolarHBondContact O-CB 3.28Å; V6-R403 VanDerWaalsContact CA-O 3.25Å; V6-R403 WeakPolarHBondContact CA-O 3.26Å; V6-R403 WeakPolarHBondContact CG2-O 3.32Å; V6-R403 PolarHBondContact N-O 3.1Å; L400-R403 HydrophobicContact CB-CB 3.95Å; L400-R403 HydrophobicContact CB-CG 4.43Å; L400-R403 HydrophobicContact CD1-CB 4.12Å; L400-R403 HydrophobicContact CD1-CG 4.03Å; L400-R403 CarbonylContact O-C 3.51Å; L400-R403 PolarHBondContact O-N 3.42Å; R403-T406 WeakPolarHBondContact CB-OG1 3.17Å; R403-T406 PolarHBondContact O-OG1 3.46Å
404	G	31	Very low	31	Very low	1 Å²	1	83.3 Å²	83.3	1%	0.01	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	41.1	-147.6	-161.9	0	0	0	0	0	112.4	Y399 L400 T406	Y399-G404 VanDerWaalsContact CD2-C 3.5Å; L400-G404 PolarHBondContact N-O 2.91Å; L400-G404 VanDerWaalsContact N-O 3.07Å; L400-G404 VanDerWaalsContact O-CA 3.29Å; L400-G404 WeakPolarHBondContact O-CA 3.44Å; L400-G404 PolarHBondContact O-N 3.17Å; G404-T406 PolarHBondContact O-N 3.27Å; G404-T406 PolarHBondContact O-OG1 3.17Å
405	L	32.6	Very low	31	Very low	94 Å²	94	87.9 Å²	87.9	49%	0.492	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	103.2	177.6	-172.1	84.4	0	0	0	108.9	A397 Y399	A397-L405 HydrophobicContact CB-CD1 4.37Å; Y399-L405 HydrophobicContact CD2-CB 4.33Å
406	T	30.8	Very low	31.1	Very low	22 Å²	22	87.3 Å²	87.3	14%	0.135	44%	0.44	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	116.8	175.8	-54.4	0	0	0	0	108.2	V398 R403 G404 L408	V398-T406 PolarHBondContact N-O 3.16Å; V398-T406 VanDerWaalsContact N-O 3.08Å; V398-T406 PolarHBondContact O-N 3.41Å; R403-T406 WeakPolarHBondContact CB-OG1 3.17Å; R403-T406 PolarHBondContact O-OG1 3.46Å; G404-T406 PolarHBondContact O-N 3.27Å; G404-T406 PolarHBondContact O-OG1 3.17Å; T406-L408 HydrophobicContact CG2-CD2 4.39Å; T406-L408 PolarHBondContact O-N 3.11Å
407	L	30.4	Very low	30.7	Very low	60 Å²	60	94 Å²	94	31%	0.314	47%	0.468	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	105.3	169.4	-65.8	166.2	0	0	0	107.3	I392 R395 I396 A397 T409	I392-L407 HydrophobicContact CB-CD2 4.4Å; R395-L407 HydrophobicContact CB-CB 3.84Å; R395-L407 HydrophobicContact CB-CD2 3.88Å; R395-L407 HydrophobicContact CB-CG 4.39Å; R395-L407 HydrophobicContact CG-CB 4.31Å; I396-L407 WeakPolarHBondContact O-CA 3.35Å; A397-L407 HydrophobicContact CB-CD2 4.2Å; L407-T409 PolarHBondContact O-N 2.83Å
408	L	29	Very low	30.4	Very low	86 Å²	86	101 Å²	101	45%	0.45	50%	0.497	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	121.7	174.3	-67.6	172	0	0	0	108.9	I396 V398 T406	I396-L408 HydrophobicContact CB-CB 4.22Å; I396-L408 HydrophobicContact CG2-CB 4.34Å; I396-L408 HydrophobicContact CG2-CD1 3.89Å; I396-L408 HydrophobicContact CG2-CG 4.4Å; I396-L408 PolarHBondContact O-N 3.33Å; V398-L408 HydrophobicContact CG2-CD1 3.95Å; T406-L408 HydrophobicContact CG2-CD2 4.39Å; T406-L408 PolarHBondContact O-N 3.11Å
409	T	27.8	Very low	30.3	Very low	91 Å²	91	105.9 Å²	105.9	56%	0.558	52%	0.522	S	S	*	.			trans	-97.4	131.2	170.9	51.1	0	0	0	0	109.2	R395 L407 E411	R395-T409 HydrophobicContact CG-CG2 4.38Å; L407-T409 PolarHBondContact O-N 2.83Å; T409-E411 PolarHBondContact O-N 3.3Å
410	F	35.1	Very low	30.3	Very low	126 Å²	126	105.4 Å²	105.4	55%	0.553	53%	0.528	S	S	*	.			trans	-65.9	112.3	176.9	-60.4	-85.3	0	0	0	110.4	I396 N412	I396-F410 HydrophobicContact CD1-CZ 4.34Å; F410-N412 PolarHBondContact O-N 2.86Å
411	E	27.7	Very low	30.9	Very low	174 Å²	174	105 Å²	105	81%	0.813	52%	0.521	S	S	*	.			trans	-78.4	115.3	163.2	-78.2	-169.3	161.3	0	0	108.7	T409 D413	T409-E411 PolarHBondContact O-N 3.3Å; E411-D413 VanDerWaalsContact C-N 3.33Å; E411-D413 PolarHBondContact O-N 3.38Å
412	N	31.6	Very low	31.1	Very low	160 Å²	160	107.2 Å²	107.2	86%	0.856	53%	0.528	S	S	*	.	S	Bend	trans	50.3	18.3	152.1	-71.6	-16.8	0	0	0	121.8	F410 S414	F410-N412 PolarHBondContact O-N 2.86Å; N412-S414 PolarHBondContact O-N 3.28Å
413	D	28	Very low	31.4	Very low	112 Å²	112	104.6 Å²	104.6	60%	0.599	53%	0.526	S	S	*	.			trans	-87.9	101.5	166	-84.6	-27.7	0	0	0	111.6	E411 E415 F416	E411-D413 VanDerWaalsContact C-N 3.33Å; E411-D413 PolarHBondContact O-N 3.38Å; D413-E415 PolarHBondContact O-N 2.85Å; D413-E415 VanDerWaalsContact O-N 3.17Å; D413-F416 HydrophobicContact CB-CD2 4.09Å; D413-F416 PolarHBondContact O-N 3.03Å
414	S	33.7	Very low	31.7	Very low	88 Å²	88	103.3 Å²	103.3	62%	0.615	53%	0.527	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-18.1	177	43.3	0	0	0	0	114.1	N412	N412-S414 PolarHBondContact O-N 3.28Å
415	E	31.6	Very low	32.1	Very low	168 Å²	168	107.6 Å²	107.6	79%	0.785	55%	0.549	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.5	-26.6	178.5	-67.6	-169.1	162.1	0	0	112.9	D413	D413-E415 PolarHBondContact O-N 2.85Å; D413-E415 VanDerWaalsContact O-N 3.17Å
416	F	30.9	Very low	32.2	Very low	105 Å²	105	111.1 Å²	111.1	46%	0.461	56%	0.56	S	S	.	*	G	3₁₀ helix	trans	-81.6	-17.8	-179.7	-82.8	-83.3	0	0	0	114.3	D413 H418 L419 T420	D413-F416 HydrophobicContact CB-CD2 4.09Å; D413-F416 PolarHBondContact O-N 3.03Å; F416-H418 PolarHBondContact O-N 3.39Å; F416-L419 PolarHBondContact O-N 3.3Å; F416-T420 PolarHBondContact O-OG1 2.98Å
417	K	27.5	Very low	32.6	Very low	176 Å²	176	113.1 Å²	113.1	77%	0.765	57%	0.565	S	S	*	*	G	3₁₀ helix	trans	-64.1	-22.6	179	-84	-176.3	175.7	176.5	0	113.7
418	H	29.5	Very low	33	Very low	159 Å²	159	111.8 Å²	111.8	74%	0.736	56%	0.558	S	S	*	*	G	3₁₀ helix	trans	-87.2	-18.6	-178.1	-71.1	-71.9	0	0	0	113.7	F416	F416-H418 PolarHBondContact O-N 3.39Å
419	L	33.3	Very low	33.6	Very low	133 Å²	133	110.9 Å²	110.9	70%	0.696	57%	0.57	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.5	-23.9	-169.2	-118.6	85.3	0	0	0	115.7	F416	F416-L419 PolarHBondContact O-N 3.3Å
420	T	34.5	Very low	34.7	Very low	75 Å²	75	108.5 Å²	108.5	46%	0.46	55%	0.553	S	S	.	*	S	Bend	trans	-124.6	108.2	-168.6	35.4	0	0	0	0	113.1	F416 D422	F416-T420 PolarHBondContact O-OG1 2.98Å; T420-D422 PolarHBondContact O-N 3.25Å; T420-D422 VanDerWaalsContact O-N 3.08Å
421	R	41.7	Very low	35.7	Very low	68 Å²	68	106.6 Å²	106.6	26%	0.257	54%	0.542	S	S	.	.	S	Bend	trans	82.5	-37.8	148	-155.7	160	174	162.3	6.4	118.8	I391 N394 C423 M424 I425	I391-R421 VanDerWaalsContact CG2-NH1 3.3Å; N394-R421 WeakPolarHBondContact OD1-CD 3.45Å; N394-R421 PolarHBondContact OD1-NE 3.36Å; R421-C423 PolarHBondContact O-N 3.13Å; R421-M424 PolarHBondContact O-N 2.97Å; R421-M424 VanDerWaalsContact O-N 3.14Å; R421-I425 HydrophobicContact CG-CD1 3.6Å; R421-I425 HydrophobicContact CG-CG1 4.14Å; R421-I425 PolarHBondContact O-N 3.17Å; R421-I425 VanDerWaalsContact O-N 3.09Å
422	D	33.5	Very low	37.2	Very low	82 Å²	82	101.1 Å²	101.1	44%	0.439	52%	0.523	S	S	.	.	H	α-helix	trans	-65.6	-25.6	178.1	-97.4	19.2	0	0	0	113	T420 K426	T420-D422 PolarHBondContact O-N 3.25Å; T420-D422 VanDerWaalsContact O-N 3.08Å; D422-K426 WeakPolarHBondContact O-CB 3.42Å; D422-K426 IonicContact OD2-NZ 3.83Å
423	C	32.6	Very low	38.9	Very low	75 Å²	75	99.6 Å²	99.6	51%	0.507	51%	0.511	S	S	.	.	H	α-helix	trans	-81.4	-26.7	173.5	-74.7	0	0	0	0	114.2	R421 R427	R421-C423 PolarHBondContact O-N 3.13Å; C423-R427 WeakPolarHBondContact O-CD 2.87Å; C423-R427 WeakPolarHBondContact O-CG 3.33Å
424	M	33.5	Very low	40.9	Very low	115 Å²	115	97.2 Å²	97.2	57%	0.567	51%	0.507	S	S	*	.	H	α-helix	trans	-84.7	-43.7	179.8	-71.9	-173.6	-172.9	0	0	111.8	R421 R427 L428	R421-M424 PolarHBondContact O-N 2.97Å; R421-M424 VanDerWaalsContact O-N 3.14Å; M424-R427 PolarHBondContact O-N 3.21Å; M424-L428 WeakPolarHBondContact O-CG 3.47Å
425	I	37.9	Very low	42.9	Very low	91 Å²	91	97.2 Å²	97.2	47%	0.467	50%	0.497	S	S	.	.	H	α-helix	trans	-76.9	-34.4	-174.6	-63.9	-179.2	0	0	0	112.3	R421 R427	R421-I425 HydrophobicContact CG-CD1 3.6Å; R421-I425 HydrophobicContact CG-CG1 4.14Å; R421-I425 PolarHBondContact O-N 3.17Å; R421-I425 VanDerWaalsContact O-N 3.09Å; I425-R427 PolarHBondContact O-N 3.16Å
426	K	36	Very low	45.1	Very low	168 Å²	168	89.7 Å²	89.7	73%	0.73	46%	0.462	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.8	-11.5	177.2	-75	-179.8	177.7	164.3	0	114	D422	D422-K426 WeakPolarHBondContact O-CB 3.42Å; D422-K426 IonicContact OD2-NZ 3.83Å
427	R	38.8	Very low	47.5	Very low	64 Å²	64	89.9 Å²	89.9	24%	0.242	47%	0.465	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.1	-11.7	-177.1	-72.9	-174.5	-178	170.7	4.2	114.8	C423 M424 I425 G429 S503 T504	C423-R427 WeakPolarHBondContact O-CD 2.87Å; C423-R427 WeakPolarHBondContact O-CG 3.33Å; M424-R427 PolarHBondContact O-N 3.21Å; I425-R427 PolarHBondContact O-N 3.16Å; R427-G429 PolarHBondContact O-N 2.93Å; R427-S503 PolarHBondContact NH1-O 2.91Å; R427-T504 PolarHBondContact NH1-O 2.94Å; R427-T504 VanDerWaalsContact NH1-O 3.08Å; R427-T504 PolarHBondContact NH2-O 3.44Å
428	L	39.2	Very low	50.2	Low	31 Å²	31	86 Å²	86	16%	0.162	46%	0.456	C	S	.	.			trans	-70.1	26.6	-175.9	-80.2	161.7	0	0	0	115.5	M424 I430 N458 T501	M424-L428 WeakPolarHBondContact O-CG 3.47Å; L428-I430 HydrophobicContact CD2-CD1 4.11Å; L428-I430 HydrophobicContact CD2-CG1 4.35Å; L428-I430 PolarHBondContact O-N 3.36Å; L428-N458 WeakPolarHBondContact CD1-OD1 3.3Å; L428-T501 HydrophobicContact CD2-CG2 3.6Å
429	G	41.6	Very low	52.8	Low	68 Å²	68	79.1 Å²	79.1	70%	0.701	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.3	46.6	161.3	0	0	0	0	0	112.5	R427 R431	R427-G429 PolarHBondContact O-N 2.93Å; G429-R431 PolarHBondContact O-N 2.82Å
430	I	51	Low	55.2	Low	40 Å²	40	74 Å²	74	21%	0.205	40%	0.397	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-41.7	168.5	-54.7	179.1	0	0	0	108.7	L428 L454 E497 F498 T501	L428-I430 HydrophobicContact CD2-CD1 4.11Å; L428-I430 HydrophobicContact CD2-CG1 4.35Å; L428-I430 PolarHBondContact O-N 3.36Å; I430-L454 HydrophobicContact CD1-CD2 3.87Å; I430-E497 HydrophobicContact CG2-CB 4.47Å; I430-E497 HydrophobicContact CG2-CG 3.23Å; I430-E497 WeakPolarHBondContact CG2-O 3.44Å; I430-F498 HydrophobicContact CD1-CD1 4.04Å; I430-F498 HydrophobicContact CD1-CE1 4.13Å; I430-T501 HydrophobicContact CD1-CG2 3.44Å; I430-T501 VanDerWaalsContact CD1-CG2 3.44Å; I430-T501 HydrophobicContact CG1-CG2 3.35Å
431	R	54.8	Low	57.6	Low	86 Å²	86	75.9 Å²	75.9	33%	0.325	41%	0.409	S	S	.	.	S	Bend	trans	-144.6	153.2	176.4	-72.9	-175	-168.5	-134.4	-2.6	109.7	G429 E435 E497	G429-R431 PolarHBondContact O-N 2.82Å; R431-E435 VanDerWaalsContact CA-OE2 3.26Å; R431-E435 WeakPolarHBondContact CA-OE2 3.37Å; R431-E435 HydrophobicContact CB-CB 3.96Å; R431-E435 VanDerWaalsContact CB-OE2 3.29Å; R431-E435 WeakPolarHBondContact CB-OE2 3.47Å; R431-E435 HydrophobicContact CG-CB 4.45Å; R431-E497 IonicContact CZ-OE1 3.16Å; R431-E497 IonicContact NE-OE1 3.76Å; R431-E497 PolarHBondContact NE-OE1 3.06Å; R431-E497 IonicContact NH2-OE1 3.17Å; R431-E497 PolarHBondContact NH2-OE1 3.01Å; R431-E497 VanDerWaalsContact NH2-OE1 3.08Å
432	S	60.6	Low	59.7	Low	59 Å²	59	73.8 Å²	73.8	41%	0.413	40%	0.404	S	S	.	.			trans	-63.6	153.4	170.8	66.3	0	0	0	0	110.9	A434 E435 N436	S432-A434 PolarHBondContact O-N 3.23Å; S432-E435 PolarHBondContact N-OE2 2.9Å; S432-E435 WeakPolarHBondContact O-CB 3.36Å; S432-E435 PolarHBondContact O-N 3.39Å; S432-E435 VanDerWaalsContact OG-CG 3.32Å; S432-E435 WeakPolarHBondContact OG-CG 3.37Å; S432-E435 PolarHBondContact OG-N 3.3Å; S432-E435 PolarHBondContact OG-OE2 3.22Å; S432-N436 PolarHBondContact O-N 3.43Å; S432-N436 VanDerWaalsContact O-N 3.12Å
433	E	67	Low	62.2	Low	129 Å²	129	73.8 Å²	73.8	60%	0.603	42%	0.415	S	S	*	.	H	α-helix	trans	-55.8	-35.6	174.8	-169	166.1	-158.5	0	0	111.6	E435 N436 E437	E433-E435 PolarHBondContact O-N 3.46Å; E433-N436 PolarHBondContact O-N 2.67Å; E433-E437 WeakPolarHBondContact O-CG 3.25Å; E433-E437 PolarHBondContact O-N 3.4Å
434	A	68.8	Low	64.8	Low	61 Å²	61	78.7 Å²	78.7	50%	0.504	42%	0.423	S	S	.	.	H	α-helix	trans	-61.6	-39.7	173.7	0	0	0	0	0	113.3	S432 E437 T438	S432-A434 PolarHBondContact O-N 3.23Å; A434-E437 PolarHBondContact O-N 2.89Å; A434-T438 WeakPolarHBondContact O-CG2 3.44Å; A434-T438 PolarHBondContact O-N 3.13Å; A434-T438 VanDerWaalsContact O-N 3.14Å
435	E	76.7	Confident	67.4	Low	89 Å²	89	75.4 Å²	75.4	42%	0.416	41%	0.411	S	S	.	.	H	α-helix	trans	-68	-38	175.3	-75.4	165.3	157.3	0	0	111.4	R431 S432 E433 E437 T438 L439	R431-E435 VanDerWaalsContact CA-OE2 3.26Å; R431-E435 WeakPolarHBondContact CA-OE2 3.37Å; R431-E435 HydrophobicContact CB-CB 3.96Å; R431-E435 VanDerWaalsContact CB-OE2 3.29Å; R431-E435 WeakPolarHBondContact CB-OE2 3.47Å; R431-E435 HydrophobicContact CG-CB 4.45Å; S432-E435 PolarHBondContact N-OE2 2.9Å; S432-E435 WeakPolarHBondContact O-CB 3.36Å; S432-E435 PolarHBondContact O-N 3.39Å; S432-E435 VanDerWaalsContact OG-CG 3.32Å; S432-E435 WeakPolarHBondContact OG-CG 3.37Å; S432-E435 PolarHBondContact OG-N 3.3Å; S432-E435 PolarHBondContact OG-OE2 3.22Å; E433-E435 PolarHBondContact O-N 3.46Å; E435-E437 VanDerWaalsContact C-N 3.33Å; E435-E437 PolarHBondContact O-N 3.02Å; E435-T438 PolarHBondContact O-N 3.03Å; E435-T438 PolarHBondContact O-OG1 3.26Å; E435-L439 PolarHBondContact O-N 2.99Å; E435-L439 VanDerWaalsContact O-N 3.17Å
436	N	78.6	Confident	69.9	Low	10 Å²	10	73 Å²	73	5%	0.053	40%	0.397	C	S	.	.	H	α-helix	trans	-63.2	-40.5	174.4	-67.1	-23.6	0	0	0	111.3	S432 E433 T438 L439 L440 V451 L454 Y455	S432-N436 PolarHBondContact O-N 3.43Å; S432-N436 VanDerWaalsContact O-N 3.12Å; E433-N436 PolarHBondContact O-N 2.67Å; N436-T438 VanDerWaalsContact C-N 3.3Å; N436-T438 PolarHBondContact O-N 3.06Å; N436-L439 PolarHBondContact O-N 3.2Å; N436-L440 PolarHBondContact O-N 2.86Å; N436-V451 HydrophobicContact CB-CG2 4.03Å; N436-V451 WeakPolarHBondContact O-CG2 3.26Å; N436-L454 WeakPolarHBondContact OD1-CD1 3.39Å; N436-Y455 HydrophobicContact CB-CE1 4.17Å
437	E	79.9	Confident	72.4	Confident	109 Å²	109	66.3 Å²	66.3	51%	0.509	37%	0.369	S	S	.	.	H	α-helix	trans	-60.3	-37.8	173.4	-72.3	-177.3	171.7	0	0	112.4	E433 A434 E435 L439 L440 V441	E433-E437 WeakPolarHBondContact O-CG 3.25Å; E433-E437 PolarHBondContact O-N 3.4Å; A434-E437 PolarHBondContact O-N 2.89Å; E435-E437 VanDerWaalsContact C-N 3.33Å; E435-E437 PolarHBondContact O-N 3.02Å; E437-L439 PolarHBondContact O-N 3.08Å; E437-L440 WeakPolarHBondContact O-CB 3.09Å; E437-L440 PolarHBondContact O-N 2.79Å; E437-V441 PolarHBondContact O-N 3.36Å
438	T	84.9	Confident	74.7	Confident	94 Å²	94	65.1 Å²	65.1	58%	0.577	37%	0.365	S	S	*	.	H	α-helix	trans	-64.9	-38.1	175.6	66.2	0	0	0	0	112.8	A434 E435 N436 V441 S442	A434-T438 WeakPolarHBondContact O-CG2 3.44Å; A434-T438 PolarHBondContact O-N 3.13Å; A434-T438 VanDerWaalsContact O-N 3.14Å; E435-T438 PolarHBondContact O-N 3.03Å; E435-T438 PolarHBondContact O-OG1 3.26Å; N436-T438 VanDerWaalsContact C-N 3.3Å; N436-T438 PolarHBondContact O-N 3.06Å; T438-V441 PolarHBondContact O-N 2.84Å; T438-S442 PolarHBondContact O-N 3.31Å; T438-S442 VanDerWaalsContact O-N 3.16Å
439	L	83.8	Confident	77.1	Confident	15 Å²	15	63.6 Å²	63.6	8%	0.079	36%	0.357	C	S	.	.	H	α-helix	trans	-69.9	-36.3	176.4	-65.2	173	0	0	0	111.6	E435 N436 E437 V441 S442 D447 V451 L454	E435-L439 PolarHBondContact O-N 2.99Å; E435-L439 VanDerWaalsContact O-N 3.17Å; N436-L439 PolarHBondContact O-N 3.2Å; E437-L439 PolarHBondContact O-N 3.08Å; L439-V441 VanDerWaalsContact C-N 3.26Å; L439-V441 PolarHBondContact O-N 3.36Å; L439-S442 WeakPolarHBondContact O-CB 3.48Å; L439-S442 PolarHBondContact O-N 3.19Å; L439-D447 HydrophobicContact CD2-CB 3.8Å; L439-V451 HydrophobicContact CB-CB 3.75Å; L439-V451 HydrophobicContact CB-CG1 4.4Å; L439-V451 HydrophobicContact CB-CG2 3.87Å; L439-V451 HydrophobicContact CD1-CB 4.42Å; L439-V451 HydrophobicContact CD1-CG2 4.41Å; L439-L454 HydrophobicContact CD1-CD1 4.37Å
440	L	83	Confident	79.3	Confident	25 Å²	25	60.7 Å²	60.7	13%	0.131	33%	0.325	C	S	.	.	H	α-helix	trans	-58.6	-38.1	175.9	-173.9	63.1	0	0	0	111.9	N436 E437 V451 Y455 T466 A467	N436-L440 PolarHBondContact O-N 2.86Å; E437-L440 WeakPolarHBondContact O-CB 3.09Å; E437-L440 PolarHBondContact O-N 2.79Å; L440-V451 HydrophobicContact CB-CG1 4.45Å; L440-V451 HydrophobicContact CD1-CG1 4.3Å; L440-Y455 HydrophobicContact CB-CE2 4.45Å; L440-Y455 HydrophobicContact CD1-CE2 4.14Å; L440-Y455 HydrophobicContact CD2-CE2 4.4Å; L440-T466 HydrophobicContact CD1-CG2 4.06Å; L440-T466 HydrophobicContact CD2-CG2 4.28Å; L440-T466 HydrophobicContact CG-CG2 4.37Å; L440-A467 HydrophobicContact CD1-CB 3.62Å
441	V	85.3	Confident	81	Confident	115 Å²	115	58.8 Å²	58.8	70%	0.697	32%	0.315	S	S	*	.	H	α-helix	trans	-87.4	-14.1	179.7	-175.5	0	0	0	0	112.9	E437 T438 L439 R448	E437-V441 PolarHBondContact O-N 3.36Å; T438-V441 PolarHBondContact O-N 2.84Å; L439-V441 VanDerWaalsContact C-N 3.26Å; L439-V441 PolarHBondContact O-N 3.36Å; V441-R448 PolarHBondContact O-NH2 3.39Å
442	S	86.7	Confident	82.4	Confident	23 Å²	23	54.7 Å²	54.7	16%	0.161	30%	0.3	C	S	.	.			trans	-54.6	141.9	-176.6	-178.3	0	0	0	0	113.3	T438 L439 R444 D447 R448	T438-S442 PolarHBondContact O-N 3.31Å; T438-S442 VanDerWaalsContact O-N 3.16Å; L439-S442 WeakPolarHBondContact O-CB 3.48Å; L439-S442 PolarHBondContact O-N 3.19Å; S442-R444 VanDerWaalsContact C-N 3.26Å; S442-R444 PolarHBondContact OG-N 3.37Å; S442-R444 VanDerWaalsContact OG-N 3.16Å; S442-D447 WeakPolarHBondContact CB-OD2 3.35Å; S442-D447 PolarHBondContact OG-OD2 3.37Å; S442-R448 PolarHBondContact O-NE 2.86Å; S442-R448 PolarHBondContact O-NH2 3.35Å
443	A	85.9	Confident	83.6	Confident	82 Å²	82	51.9 Å²	51.9	68%	0.678	28%	0.28	S	S	*	.	S	Bend	trans	-80.3	-5.7	174.3	0	0	0	0	0	113.1
444	R	87.9	Confident	84.3	Confident	178 Å²	178	46 Å²	46	67%	0.672	25%	0.253	S	S	*	.	S	Bend	trans	-85.7	127.4	179	-63.2	179.6	177.9	174.9	0.3	109.6	S442 F446 D447 R448	S442-R444 VanDerWaalsContact C-N 3.26Å; S442-R444 PolarHBondContact OG-N 3.37Å; S442-R444 VanDerWaalsContact OG-N 3.16Å; R444-F446 PolarHBondContact O-N 3.16Å; R444-D447 HydrophobicContact CB-CB 4.25Å; R444-D447 WeakPolarHBondContact CB-OD2 3.25Å; R444-D447 WeakPolarHBondContact CD-OD2 3.1Å; R444-D447 PolarHBondContact O-N 3.38Å; R444-R448 PolarHBondContact O-N 2.86Å
445	P	87.8	Confident	84.6	Confident	46 Å²	46	43.2 Å²	43.2	30%	0.299	23%	0.229	S	C	.	.	H	α-helix	trans	-59.5	-34.1	179	-22.6	30.1	0	0	0	113.5	F449 L471 L474 V475 L484	P445-F449 WeakPolarHBondContact O-CB 3.17Å; P445-F449 PolarHBondContact O-N 3.13Å; P445-L471 HydrophobicContact CB-CD1 3.97Å; P445-L471 WeakPolarHBondContact O-CD1 3.26Å; P445-L474 HydrophobicContact CB-CB 4.47Å; P445-L474 HydrophobicContact CG-CB 4.12Å; P445-V475 HydrophobicContact CB-CG2 4.04Å; P445-L484 HydrophobicContact CB-CD1 4.18Å; P445-L484 HydrophobicContact CB-CD2 4.23Å
446	F	90.2	Very high	84.4	Confident	40 Å²	40	40.4 Å²	40.4	18%	0.175	22%	0.216	C	C	.	.	H	α-helix	trans	-66.4	-41.3	178.8	-176.1	-104.3	0	0	0	112.8	R444 R448 F449 H450 L484 R487 M488 L491	R444-F446 PolarHBondContact O-N 3.16Å; F446-R448 VanDerWaalsContact C-N 3.32Å; F446-R448 PolarHBondContact O-N 3.42Å; F446-F449 PolarHBondContact O-N 3.18Å; F446-F449 VanDerWaalsContact O-N 3.16Å; F446-H450 VanDerWaalsContact O-CB 3.31Å; F446-H450 WeakPolarHBondContact O-CB 3.31Å; F446-H450 PolarHBondContact O-N 3.2Å; F446-L484 HydrophobicContact CB-CD2 3.85Å; F446-L484 HydrophobicContact CD2-CD2 4.07Å; F446-L484 HydrophobicContact CG-CD2 4.49Å; F446-R487 HydrophobicContact CD2-CB 3.76Å; F446-R487 HydrophobicContact CE2-CB 3.41Å; F446-R487 VanDerWaalsContact CE2-CB 3.41Å; F446-R487 HydrophobicContact CZ-CB 4.14Å; F446-M488 HydrophobicContact CE2-CB 4.23Å; F446-M488 HydrophobicContact CE2-SD 4.46Å; F446-M488 HydrophobicContact CZ-SD 4.32Å; F446-L491 HydrophobicContact CE1-CD2 4.47Å; F446-L491 HydrophobicContact CZ-CB 4.47Å; F446-L491 HydrophobicContact CZ-CD2 4.13Å
447	D	88.3	Confident	83.8	Confident	29 Å²	29	41 Å²	41	16%	0.155	22%	0.219	C	C	.	.	H	α-helix	trans	-62.3	-40.8	179.5	-60.2	0.8	0	0	0	111.2	L439 S442 R444 H450 V451	L439-D447 HydrophobicContact CD2-CB 3.8Å; S442-D447 WeakPolarHBondContact CB-OD2 3.35Å; S442-D447 PolarHBondContact OG-OD2 3.37Å; R444-D447 HydrophobicContact CB-CB 4.25Å; R444-D447 WeakPolarHBondContact CB-OD2 3.25Å; R444-D447 WeakPolarHBondContact CD-OD2 3.1Å; R444-D447 PolarHBondContact O-N 3.38Å; D447-H450 PolarHBondContact O-N 3.34Å; D447-V451 WeakPolarHBondContact O-CB 3.33Å; D447-V451 PolarHBondContact O-N 2.92Å
448	R	87.2	Confident	83.1	Confident	38 Å²	38	38.9 Å²	38.9	14%	0.143	21%	0.211	C	C	.	.	H	α-helix	trans	-68.8	-35.8	174.9	-66.4	-163.4	-175.1	-168.7	-16.2	113.1	V441 S442 R444 F446 V451 A452 G470 L471 L474	V441-R448 PolarHBondContact O-NH2 3.39Å; S442-R448 PolarHBondContact O-NE 2.86Å; S442-R448 PolarHBondContact O-NH2 3.35Å; R444-R448 PolarHBondContact O-N 2.86Å; F446-R448 VanDerWaalsContact C-N 3.32Å; F446-R448 PolarHBondContact O-N 3.42Å; R448-V451 WeakPolarHBondContact O-CG1 3.28Å; R448-A452 VanDerWaalsContact O-CB 3.3Å; R448-A452 WeakPolarHBondContact O-CB 3.42Å; R448-A452 PolarHBondContact O-N 3.47Å; R448-G470 PolarHBondContact NH1-O 3.36Å; R448-L471 HydrophobicContact CB-CB 4.25Å; R448-L471 HydrophobicContact CB-CD1 4.15Å; R448-L474 HydrophobicContact CG-CD1 4.29Å
449	F	89.5	Confident	81.8	Confident	0 Å²	0	39.4 Å²	39.4	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-68.2	-43.3	175	-177.6	-98.9	0	0	0	111.6	P445 F446 A452 F453 L471 L484 A485 M488 F526 F529 L530 F533	P445-F449 WeakPolarHBondContact O-CB 3.17Å; P445-F449 PolarHBondContact O-N 3.13Å; F446-F449 PolarHBondContact O-N 3.18Å; F446-F449 VanDerWaalsContact O-N 3.16Å; F449-A452 WeakPolarHBondContact O-CB 3.32Å; F449-A452 PolarHBondContact O-N 2.95Å; F449-F453 PolarHBondContact O-N 3.01Å; F449-F453 VanDerWaalsContact O-N 3.13Å; F449-L471 HydrophobicContact CB-CD1 4.38Å; F449-L471 HydrophobicContact CB-CD2 4.13Å; F449-L471 HydrophobicContact CD2-CD2 3.89Å; F449-L484 HydrophobicContact CB-CB 4.4Å; F449-L484 HydrophobicContact CB-CD1 4.11Å; F449-L484 HydrophobicContact CD1-CB 4.04Å; F449-L484 HydrophobicContact CD2-CB 4.24Å; F449-L484 HydrophobicContact CD2-CD1 4.42Å; F449-L484 HydrophobicContact CE1-CB 4.36Å; F449-L484 HydrophobicContact CG-CB 3.97Å; F449-L484 HydrophobicContact CG-CD1 4.34Å; F449-A485 HydrophobicContact CZ-CB 4.34Å; F449-M488 HydrophobicContact CD1-CB 4.17Å; F449-M488 HydrophobicContact CD1-CG 4.45Å; F449-M488 HydrophobicContact CE1-CB 3.63Å; F449-M488 HydrophobicContact CE1-CG 3.96Å; F449-F526 AromaticContact CE1-CE2 3.89Å; F449-F526 HydrophobicContact CE1-CE2 3.89Å; F449-F526 AromaticContact CE1-CZ 3.81Å; F449-F526 HydrophobicContact CE1-CZ 3.81Å; F449-F526 AromaticContact CZ-CE2 3.95Å; F449-F526 HydrophobicContact CZ-CE2 3.95Å; F449-F526 AromaticContact CZ-CZ 3.86Å; F449-F526 HydrophobicContact CZ-CZ 3.86Å; F449-F529 HydrophobicContact CD2-CE1 4.45Å; F449-F529 HydrophobicContact CD2-CZ 4.45Å; F449-F529 HydrophobicContact CE1-CE1 4.3Å; F449-F529 AromaticContact CE2-CE1 3.67Å; F449-F529 HydrophobicContact CE2-CE1 3.67Å; F449-F529 HydrophobicContact CE2-CZ 4.07Å; F449-F529 AromaticContact CZ-CE1 3.6Å; F449-F529 HydrophobicContact CZ-CE1 3.6Å; F449-F529 HydrophobicContact CZ-CZ 4.35Å; F449-L530 HydrophobicContact CE2-CD2 4.46Å; F449-L530 HydrophobicContact CZ-CD2 3.89Å; F449-F533 HydrophobicContact CD2-CD2 4.25Å; F449-F533 HydrophobicContact CD2-CE1 4.4Å; F449-F533 AromaticContact CD2-CE2 3.57Å; F449-F533 HydrophobicContact CD2-CE2 3.57Å; F449-F533 AromaticContact CD2-CZ 3.66Å; F449-F533 HydrophobicContact CD2-CZ 3.66Å; F449-F533 HydrophobicContact CE2-CD1 4.12Å; F449-F533 AromaticContact CE2-CD2 3.86Å; F449-F533 HydrophobicContact CE2-CD2 3.86Å; F449-F533 AromaticContact CE2-CE1 3.84Å; F449-F533 HydrophobicContact CE2-CE1 3.84Å; F449-F533 AromaticContact CE2-CE2 3.55Å; F449-F533 HydrophobicContact CE2-CE2 3.55Å; F449-F533 HydrophobicContact CE2-CG 4.12Å; F449-F533 AromaticContact CE2-CZ 3.54Å; F449-F533 HydrophobicContact CE2-CZ 3.54Å
450	H	88.6	Confident	80.8	Confident	6 Å²	6	40.9 Å²	40.9	3%	0.028	21%	0.214	C	C	.	.	H	α-helix	trans	-62.1	-51	176	-177.1	-172.3	0	0	0	110.7	F446 D447 A452 F453 L454 M488 L491 E497 F498	F446-H450 VanDerWaalsContact O-CB 3.31Å; F446-H450 WeakPolarHBondContact O-CB 3.31Å; F446-H450 PolarHBondContact O-N 3.2Å; D447-H450 PolarHBondContact O-N 3.34Å; H450-A452 VanDerWaalsContact C-N 3.26Å; H450-A452 PolarHBondContact O-N 3.05Å; H450-F453 WeakPolarHBondContact O-CA 3.35Å; H450-F453 WeakPolarHBondContact O-CB 3.36Å; H450-F453 PolarHBondContact O-N 2.8Å; H450-L454 PolarHBondContact O-N 3.02Å; H450-M488 HydrophobicContact CB-SD 4.35Å; H450-L491 VanDerWaalsContact CE1-CD2 3.5Å; H450-L491 WeakPolarHBondContact CE1-CD2 3.39Å; H450-E497 IonicContact CE1-OE1 3.84Å; H450-E497 PolarHBondContact CE1-OE1 2.64Å; H450-E497 IonicContact CE1-OE2 2.96Å; H450-E497 PolarHBondContact CE1-OE2 2.81Å; H450-E497 IonicContact NE2-OE1 3.37Å; H450-E497 IonicContact NE2-OE2 3.08Å; H450-F498 AromaticContact NE2-CZ 3.78Å
451	V	86.5	Confident	79.6	Confident	0 Å²	0	42.1 Å²	42.1	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-65.2	-30.8	179.5	85.8	0	0	0	0	112.4	N436 L439 L440 D447 R448 F453 L454 Y455 A467	N436-V451 HydrophobicContact CB-CG2 4.03Å; N436-V451 WeakPolarHBondContact O-CG2 3.26Å; L439-V451 HydrophobicContact CB-CB 3.75Å; L439-V451 HydrophobicContact CB-CG1 4.4Å; L439-V451 HydrophobicContact CB-CG2 3.87Å; L439-V451 HydrophobicContact CD1-CB 4.42Å; L439-V451 HydrophobicContact CD1-CG2 4.41Å; L440-V451 HydrophobicContact CB-CG1 4.45Å; L440-V451 HydrophobicContact CD1-CG1 4.3Å; D447-V451 WeakPolarHBondContact O-CB 3.33Å; D447-V451 PolarHBondContact O-N 2.92Å; R448-V451 WeakPolarHBondContact O-CG1 3.28Å; V451-F453 VanDerWaalsContact C-N 3.32Å; V451-F453 PolarHBondContact O-N 3.38Å; V451-L454 PolarHBondContact O-N 3.33Å; V451-Y455 HydrophobicContact CB-CD2 4.47Å; V451-Y455 HydrophobicContact CB-CE2 4.32Å; V451-Y455 HydrophobicContact CG1-CD2 4.3Å; V451-Y455 HydrophobicContact CG1-CE2 4.16Å; V451-Y455 HydrophobicContact CG2-CD2 3.79Å; V451-Y455 HydrophobicContact CG2-CE2 3.35Å; V451-Y455 WeakPolarHBondContact O-CB 3.43Å; V451-Y455 WeakPolarHBondContact O-CD2 3.45Å; V451-Y455 PolarHBondContact O-N 2.88Å; V451-A467 HydrophobicContact CG1-CB 3.73Å
452	A	84.4	Confident	78.7	Confident	0 Å²	0	44 Å²	44	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-61.7	-41.2	171.2	0	0	0	0	0	111.2	R448 F449 H450 F456 Y464 A467 L468 F529	R448-A452 VanDerWaalsContact O-CB 3.3Å; R448-A452 WeakPolarHBondContact O-CB 3.42Å; R448-A452 PolarHBondContact O-N 3.47Å; F449-A452 WeakPolarHBondContact O-CB 3.32Å; F449-A452 PolarHBondContact O-N 2.95Å; H450-A452 VanDerWaalsContact C-N 3.26Å; H450-A452 PolarHBondContact O-N 3.05Å; A452-F456 VanDerWaalsContact O-CB 3.29Å; A452-F456 WeakPolarHBondContact O-CB 3.28Å; A452-F456 PolarHBondContact O-N 3.36Å; A452-Y464 HydrophobicContact CB-CD2 4.38Å; A452-Y464 VanDerWaalsContact O-CD2 3.24Å; A452-Y464 WeakPolarHBondContact O-CD2 3.24Å; A452-A467 HydrophobicContact CB-CB 3.85Å; A452-L468 HydrophobicContact CB-CD2 3.93Å; A452-L468 HydrophobicContact CB-CG 4.39Å; A452-F529 HydrophobicContact CB-CE2 4.23Å; A452-F529 HydrophobicContact CB-CZ 4.29Å
453	F	84.5	Confident	78	Confident	0 Å²	0	44.7 Å²	44.7	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-65.4	-41.4	173.4	-177.8	-117.3	0	0	0	112.3	F449 H450 V451 Y455 F456 L457 M488 I492 F498 I525 F526 F529	F449-F453 PolarHBondContact O-N 3.01Å; F449-F453 VanDerWaalsContact O-N 3.13Å; H450-F453 WeakPolarHBondContact O-CA 3.35Å; H450-F453 WeakPolarHBondContact O-CB 3.36Å; H450-F453 PolarHBondContact O-N 2.8Å; V451-F453 VanDerWaalsContact C-N 3.32Å; V451-F453 PolarHBondContact O-N 3.38Å; F453-Y455 PolarHBondContact O-N 2.87Å; F453-F456 HydrophobicContact CD2-CD1 4.25Å; F453-F456 HydrophobicContact CE2-CD1 4.31Å; F453-F456 WeakPolarHBondContact O-CB 3.21Å; F453-F456 PolarHBondContact O-N 3.35Å; F453-L457 HydrophobicContact CD1-CD1 4.01Å; F453-L457 HydrophobicContact CD1-CG 4.43Å; F453-L457 HydrophobicContact CE1-CD1 3.66Å; F453-L457 HydrophobicContact CE1-CD2 4.48Å; F453-L457 HydrophobicContact CE1-CG 4.16Å; F453-L457 HydrophobicContact CE2-CD2 4.17Å; F453-L457 HydrophobicContact CE2-CG 4.24Å; F453-L457 HydrophobicContact CZ-CD1 3.99Å; F453-L457 HydrophobicContact CZ-CD2 3.96Å; F453-L457 HydrophobicContact CZ-CG 4.06Å; F453-L457 WeakPolarHBondContact O-CG 3.5Å; F453-L457 PolarHBondContact O-N 3.28Å; F453-M488 HydrophobicContact CB-CE 4.16Å; F453-M488 HydrophobicContact CD1-CE 3.23Å; F453-M488 HydrophobicContact CE1-CE 3.83Å; F453-M488 HydrophobicContact CG-CE 3.97Å; F453-I492 HydrophobicContact CE1-CD1 4.43Å; F453-F498 AromaticContact CD1-CE1 3.81Å; F453-F498 HydrophobicContact CD1-CE1 3.81Å; F453-F498 HydrophobicContact CD1-CZ 4.11Å; F453-F498 HydrophobicContact CE1-CD1 4.05Å; F453-F498 AromaticContact CE1-CE1 3.56Å; F453-F498 HydrophobicContact CE1-CE1 3.56Å; F453-F498 HydrophobicContact CE1-CZ 4.08Å; F453-I525 HydrophobicContact CE2-CG2 4.29Å; F453-F526 AromaticContact CD2-CD2 3.83Å; F453-F526 HydrophobicContact CD2-CD2 3.83Å; F453-F526 HydrophobicContact CE2-CB 4.02Å; F453-F526 AromaticContact CE2-CD2 3.81Å; F453-F526 HydrophobicContact CE2-CD2 3.81Å; F453-F526 HydrophobicContact CE2-CG 4.43Å; F453-F526 HydrophobicContact CG-CD2 4.22Å; F453-F526 HydrophobicContact CZ-CB 3.96Å; F453-F526 HydrophobicContact CZ-CD2 4.16Å; F453-F529 HydrophobicContact CB-CD2 4.38Å; F453-F529 HydrophobicContact CB-CE1 4.49Å; F453-F529 HydrophobicContact CB-CE2 4.13Å; F453-F529 HydrophobicContact CB-CZ 4.21Å; F453-F529 HydrophobicContact CD2-CB 3.72Å; F453-F529 HydrophobicContact CD2-CD1 4.04Å; F453-F529 AromaticContact CD2-CD2 3.86Å; F453-F529 HydrophobicContact CD2-CD2 3.86Å; F453-F529 HydrophobicContact CD2-CE2 4.44Å; F453-F529 AromaticContact CD2-CG 3.61Å; F453-F529 HydrophobicContact CD2-CG 3.61Å; F453-F529 HydrophobicContact CE2-CB 3.9Å; F453-F529 HydrophobicContact CE2-CG 4.3Å
454	L	81.5	Confident	77.4	Confident	6 Å²	6	41 Å²	41	3%	0.031	19%	0.191	C	C	.	.	H	α-helix	trans	-61.9	-44.3	176.3	-63.8	177	0	0	0	112.3	I430 N436 L439 H450 V451 F456 L457 N458 F498	I430-L454 HydrophobicContact CD1-CD2 3.87Å; N436-L454 WeakPolarHBondContact OD1-CD1 3.39Å; L439-L454 HydrophobicContact CD1-CD1 4.37Å; H450-L454 PolarHBondContact O-N 3.02Å; V451-L454 PolarHBondContact O-N 3.33Å; L454-F456 VanDerWaalsContact C-N 3.3Å; L454-F456 PolarHBondContact O-N 3.29Å; L454-L457 PolarHBondContact O-N 3.25Å; L454-N458 WeakPolarHBondContact O-CB 3.15Å; L454-N458 PolarHBondContact O-N 3.29Å; L454-F498 HydrophobicContact CD2-CE1 3.97Å; L454-F498 HydrophobicContact CD2-CZ 4.42Å
455	Y	76.4	Confident	76.6	Confident	3 Å²	3	35 Å²	35	1%	0.012	17%	0.171	C	C	.	.	H	α-helix	trans	-68.7	-29.8	175.3	-71.4	-50	0	0	0	112.7	N436 L440 V451 F453 N458 H459 N460 N463	N436-Y455 HydrophobicContact CB-CE1 4.17Å; L440-Y455 HydrophobicContact CB-CE2 4.45Å; L440-Y455 HydrophobicContact CD1-CE2 4.14Å; L440-Y455 HydrophobicContact CD2-CE2 4.4Å; V451-Y455 HydrophobicContact CB-CD2 4.47Å; V451-Y455 HydrophobicContact CB-CE2 4.32Å; V451-Y455 HydrophobicContact CG1-CD2 4.3Å; V451-Y455 HydrophobicContact CG1-CE2 4.16Å; V451-Y455 HydrophobicContact CG2-CD2 3.79Å; V451-Y455 HydrophobicContact CG2-CE2 3.35Å; V451-Y455 WeakPolarHBondContact O-CB 3.43Å; V451-Y455 WeakPolarHBondContact O-CD2 3.45Å; V451-Y455 PolarHBondContact O-N 2.88Å; F453-Y455 PolarHBondContact O-N 2.87Å; Y455-N458 PolarHBondContact O-N 3.03Å; Y455-H459 PolarHBondContact O-N 3.38Å; Y455-N460 HydrophobicContact CD1-CB 3.83Å; Y455-N460 HydrophobicContact CG-CB 4.47Å; Y455-N460 PolarHBondContact O-N 3.44Å; Y455-N463 HydrophobicContact CD1-CB 3.77Å; Y455-N463 HydrophobicContact CD2-CB 3.63Å; Y455-N463 HydrophobicContact CE1-CB 3.65Å; Y455-N463 HydrophobicContact CE2-CB 3.52Å; Y455-N463 HydrophobicContact CG-CB 3.76Å
456	F	70.7	Confident	76.1	Confident	29 Å²	29	36.5 Å²	36.5	13%	0.127	18%	0.179	C	C	.	.	H	α-helix	trans	-63.4	-46.7	170	175.2	-96.1	0	0	0	111.4	A452 F453 L454 N458 H459 Y464 I525 F529	A452-F456 VanDerWaalsContact O-CB 3.29Å; A452-F456 WeakPolarHBondContact O-CB 3.28Å; A452-F456 PolarHBondContact O-N 3.36Å; F453-F456 HydrophobicContact CD2-CD1 4.25Å; F453-F456 HydrophobicContact CE2-CD1 4.31Å; F453-F456 WeakPolarHBondContact O-CB 3.21Å; F453-F456 PolarHBondContact O-N 3.35Å; L454-F456 VanDerWaalsContact C-N 3.3Å; L454-F456 PolarHBondContact O-N 3.29Å; F456-N458 VanDerWaalsContact C-N 3.31Å; F456-N458 PolarHBondContact O-N 3.43Å; F456-H459 PolarHBondContact O-N 3.44Å; F456-H459 VanDerWaalsContact O-N 3.13Å; F456-Y464 HydrophobicContact CB-CD2 3.97Å; F456-Y464 HydrophobicContact CB-CE2 3.89Å; F456-Y464 HydrophobicContact CD2-CE2 4.23Å; F456-Y464 HydrophobicContact CG-CE2 4.5Å; F456-I525 HydrophobicContact CE1-CG2 3.95Å; F456-F529 HydrophobicContact CB-CD2 3.79Å; F456-F529 HydrophobicContact CB-CE2 4.3Å; F456-F529 HydrophobicContact CD1-CB 3.86Å; F456-F529 HydrophobicContact CD1-CD2 4.05Å; F456-F529 HydrophobicContact CD1-CG 4.42Å; F456-F529 HydrophobicContact CD2-CD2 4.18Å; F456-F529 HydrophobicContact CE1-CB 3.81Å; F456-F529 HydrophobicContact CG-CB 4.34Å; F456-F529 AromaticContact CG-CD2 3.75Å; F456-F529 HydrophobicContact CG-CD2 3.75Å; F456-F529 HydrophobicContact CZ-CB 4.25Å
457	L	67.9	Low	75.6	Confident	23 Å²	23	34.6 Å²	34.6	12%	0.12	17%	0.171	C	C	.	.	H	α-helix	trans	-60.7	-39.1	174.7	-68.5	176.3	0	0	0	112.3	F453 L454 H459 F498 F502 I525	F453-L457 HydrophobicContact CD1-CD1 4.01Å; F453-L457 HydrophobicContact CD1-CG 4.43Å; F453-L457 HydrophobicContact CE1-CD1 3.66Å; F453-L457 HydrophobicContact CE1-CD2 4.48Å; F453-L457 HydrophobicContact CE1-CG 4.16Å; F453-L457 HydrophobicContact CE2-CD2 4.17Å; F453-L457 HydrophobicContact CE2-CG 4.24Å; F453-L457 HydrophobicContact CZ-CD1 3.99Å; F453-L457 HydrophobicContact CZ-CD2 3.96Å; F453-L457 HydrophobicContact CZ-CG 4.06Å; F453-L457 WeakPolarHBondContact O-CG 3.5Å; F453-L457 PolarHBondContact O-N 3.28Å; L454-L457 PolarHBondContact O-N 3.25Å; L457-H459 VanDerWaalsContact C-N 3.25Å; L457-H459 PolarHBondContact O-N 3.1Å; L457-F498 HydrophobicContact CD1-CD1 4.13Å; L457-F498 HydrophobicContact CD1-CE1 4.04Å; L457-F502 HydrophobicContact CD2-CZ 4.15Å; L457-I525 HydrophobicContact CD2-CG2 3.59Å
458	N	64.5	Low	75.2	Confident	65 Å²	65	33.2 Å²	33.2	35%	0.348	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.3	-3.3	178.2	-72	-18.4	0	0	0	113.9	L428 L454 Y455 F456 N460	L428-N458 WeakPolarHBondContact CD1-OD1 3.3Å; L454-N458 WeakPolarHBondContact O-CB 3.15Å; L454-N458 PolarHBondContact O-N 3.29Å; Y455-N458 PolarHBondContact O-N 3.03Å; F456-N458 VanDerWaalsContact C-N 3.31Å; F456-N458 PolarHBondContact O-N 3.43Å; N458-N460 HydrophobicContact CB-CB 4.5Å; N458-N460 PolarHBondContact O-N 2.99Å; N458-N460 VanDerWaalsContact O-N 3.15Å
459	H	56.8	Low	74.8	Confident	105 Å²	105	34.9 Å²	34.9	49%	0.486	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.3	27.2	-170.5	-55	-71.8	0	0	0	114.1	Y455 F456 L457 H461	Y455-H459 PolarHBondContact O-N 3.38Å; F456-H459 PolarHBondContact O-N 3.44Å; F456-H459 VanDerWaalsContact O-N 3.13Å; L457-H459 VanDerWaalsContact C-N 3.25Å; L457-H459 PolarHBondContact O-N 3.1Å; H459-H461 PolarHBondContact O-CD2 3.15Å; H459-H461 PolarHBondContact O-N 3.43Å
460	N	63.7	Low	74.3	Confident	45 Å²	45	35.2 Å²	35.2	24%	0.241	18%	0.179	C	C	.	.			trans	-86.3	89.1	175.8	-174.8	-26.6	0	0	0	109.4	Y455 N458 N463 Y464	Y455-N460 HydrophobicContact CD1-CB 3.83Å; Y455-N460 HydrophobicContact CG-CB 4.47Å; Y455-N460 PolarHBondContact O-N 3.44Å; N458-N460 HydrophobicContact CB-CB 4.5Å; N458-N460 PolarHBondContact O-N 2.99Å; N458-N460 VanDerWaalsContact O-N 3.15Å; N460-N463 PolarHBondContact ND2-ND2 3.35Å; N460-N463 PolarHBondContact OD1-N 2.96Å; N460-Y464 WeakPolarHBondContact O-CB 3.49Å; N460-Y464 PolarHBondContact O-N 3.47Å
461	H	57.7	Low	74.1	Confident	51 Å²	51	35 Å²	35	24%	0.236	18%	0.177	C	C	.	.	H	α-helix	trans	-69.6	-36.6	-172.2	-65.5	-60.4	0	0	0	114.4	W339 S342 H459 Y464 Q465	W339-H461 HydrophobicContact CE3-CB 4.24Å; W339-H461 AromaticContact CE3-CD2 3.41Å; W339-H461 VanDerWaalsContact CE3-CD2 3.41Å; W339-H461 AromaticContact CE3-CG 3.99Å; W339-H461 HydrophobicContact CZ3-CB 3.95Å; W339-H461 AromaticContact CZ3-CD2 3.48Å; W339-H461 VanDerWaalsContact CZ3-CD2 3.48Å; W339-H461 WeakPolarHBondContact CZ3-CD2 3.34Å; S342-H461 VanDerWaalsContact CB-ND1 3.32Å; S342-H461 WeakPolarHBondContact CB-ND1 3.45Å; S342-H461 PolarHBondContact O-CE1 3.23Å; S342-H461 PolarHBondContact OG-CE1 2.81Å; S342-H461 PolarHBondContact OG-ND1 2.69Å; H459-H461 PolarHBondContact O-CD2 3.15Å; H459-H461 PolarHBondContact O-N 3.43Å; H461-Y464 WeakPolarHBondContact O-CB 3.41Å; H461-Y464 PolarHBondContact O-N 2.98Å; H461-Q465 WeakPolarHBondContact O-CG 3.39Å; H461-Q465 PolarHBondContact O-N 3.21Å
462	E	65.6	Low	73.8	Confident	155 Å²	155	37 Å²	37	72%	0.724	19%	0.194	S	C	*	.	H	α-helix	trans	-62.6	-49.1	-179.8	-67.8	-173.2	167.9	0	0	110.7	Q465 T466	E462-Q465 PolarHBondContact O-N 2.68Å; E462-T466 WeakPolarHBondContact O-CB 3.4Å; E462-T466 PolarHBondContact O-N 3.44Å; E462-T466 PolarHBondContact O-OG1 3.09Å
463	N	73.3	Confident	73.6	Confident	37 Å²	37	44.6 Å²	44.6	20%	0.198	23%	0.23	C	C	.	.	H	α-helix	trans	-73.4	-32.5	178.5	-70.4	-24.3	0	0	0	112.3	Y455 N460 T466 A467	Y455-N463 HydrophobicContact CD1-CB 3.77Å; Y455-N463 HydrophobicContact CD2-CB 3.63Å; Y455-N463 HydrophobicContact CE1-CB 3.65Å; Y455-N463 HydrophobicContact CE2-CB 3.52Å; Y455-N463 HydrophobicContact CG-CB 3.76Å; N460-N463 PolarHBondContact ND2-ND2 3.35Å; N460-N463 PolarHBondContact OD1-N 2.96Å; N463-T466 PolarHBondContact O-N 2.98Å; N463-A467 WeakPolarHBondContact O-CB 3.48Å; N463-A467 PolarHBondContact O-N 2.78Å
464	Y	72.8	Confident	73.4	Confident	6 Å²	6	47.1 Å²	47.1	2%	0.024	24%	0.243	C	C	.	.	H	α-helix	trans	-57	-50.4	170.7	171.4	-103.1	0	0	0	111.9	A452 F456 N460 H461 T466 A467 L468 F529	A452-Y464 HydrophobicContact CB-CD2 4.38Å; A452-Y464 VanDerWaalsContact O-CD2 3.24Å; A452-Y464 WeakPolarHBondContact O-CD2 3.24Å; F456-Y464 HydrophobicContact CB-CD2 3.97Å; F456-Y464 HydrophobicContact CB-CE2 3.89Å; F456-Y464 HydrophobicContact CD2-CE2 4.23Å; F456-Y464 HydrophobicContact CG-CE2 4.5Å; N460-Y464 WeakPolarHBondContact O-CB 3.49Å; N460-Y464 PolarHBondContact O-N 3.47Å; H461-Y464 WeakPolarHBondContact O-CB 3.41Å; H461-Y464 PolarHBondContact O-N 2.98Å; Y464-T466 VanDerWaalsContact C-N 3.35Å; Y464-A467 PolarHBondContact O-N 3.21Å; Y464-L468 HydrophobicContact CD1-CD1 4.05Å; Y464-L468 HydrophobicContact CE1-CD1 3.41Å; Y464-L468 VanDerWaalsContact CE1-CD1 3.41Å; Y464-L468 HydrophobicContact CE1-CG 4.4Å; Y464-L468 HydrophobicContact CE2-CD1 3.97Å; Y464-L468 HydrophobicContact CE2-CG 4.32Å; Y464-L468 WeakPolarHBondContact O-CG 3.38Å; Y464-L468 PolarHBondContact O-N 2.83Å; Y464-F529 HydrophobicContact CE2-CD2 4.19Å; Y464-F529 AromaticContact CE2-CE2 3.8Å; Y464-F529 HydrophobicContact CE2-CE2 3.8Å
465	Q	70.4	Confident	73.2	Confident	52 Å²	52	47.9 Å²	47.9	24%	0.243	25%	0.248	C	C	.	.	H	α-helix	trans	-64.7	-41.8	178.2	-68.8	-60.9	-20.7	0	0	111.3	H461 E462 A467 L468 D469	H461-Q465 WeakPolarHBondContact O-CG 3.39Å; H461-Q465 PolarHBondContact O-N 3.21Å; E462-Q465 PolarHBondContact O-N 2.68Å; Q465-A467 VanDerWaalsContact C-N 3.29Å; Q465-A467 PolarHBondContact O-N 3.25Å; Q465-L468 PolarHBondContact O-N 3.19Å; Q465-D469 WeakPolarHBondContact O-CB 3.32Å; Q465-D469 PolarHBondContact O-N 3.46Å
466	T	76.8	Confident	72.7	Confident	76 Å²	76	53.7 Å²	53.7	47%	0.466	28%	0.283	S	S	.	.	H	α-helix	trans	-58.5	-41.4	175.6	-55.6	0	0	0	0	111.7	L440 E462 N463 Y464 G470	L440-T466 HydrophobicContact CD1-CG2 4.06Å; L440-T466 HydrophobicContact CD2-CG2 4.28Å; L440-T466 HydrophobicContact CG-CG2 4.37Å; E462-T466 WeakPolarHBondContact O-CB 3.4Å; E462-T466 PolarHBondContact O-N 3.44Å; E462-T466 PolarHBondContact O-OG1 3.09Å; N463-T466 PolarHBondContact O-N 2.98Å; Y464-T466 VanDerWaalsContact C-N 3.35Å; T466-G470 PolarHBondContact O-N 2.9Å
467	A	80.4	Confident	72.8	Confident	0 Å²	0	55.6 Å²	55.6	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-65.2	-43.2	176.4	0	0	0	0	0	112.1	L440 V451 A452 N463 Y464 Q465 G470 L471	L440-A467 HydrophobicContact CD1-CB 3.62Å; V451-A467 HydrophobicContact CG1-CB 3.73Å; A452-A467 HydrophobicContact CB-CB 3.85Å; N463-A467 WeakPolarHBondContact O-CB 3.48Å; N463-A467 PolarHBondContact O-N 2.78Å; Y464-A467 PolarHBondContact O-N 3.21Å; Q465-A467 VanDerWaalsContact C-N 3.29Å; Q465-A467 PolarHBondContact O-N 3.25Å; A467-G470 PolarHBondContact O-N 3.14Å; A467-L471 WeakPolarHBondContact O-CB 3.38Å; A467-L471 PolarHBondContact O-N 3.48Å
468	L	80.8	Confident	73	Confident	1 Å²	1	61 Å²	61	1%	0.005	32%	0.316	C	S	.	.	H	α-helix	trans	-68.4	-42.9	178.6	-69.8	-177.4	0	0	0	113	A452 Y464 Q465 G470 L471 A472 F533 R536 F537	A452-L468 HydrophobicContact CB-CD2 3.93Å; A452-L468 HydrophobicContact CB-CG 4.39Å; Y464-L468 HydrophobicContact CD1-CD1 4.05Å; Y464-L468 HydrophobicContact CE1-CD1 3.41Å; Y464-L468 VanDerWaalsContact CE1-CD1 3.41Å; Y464-L468 HydrophobicContact CE1-CG 4.4Å; Y464-L468 HydrophobicContact CE2-CD1 3.97Å; Y464-L468 HydrophobicContact CE2-CG 4.32Å; Y464-L468 WeakPolarHBondContact O-CG 3.38Å; Y464-L468 PolarHBondContact O-N 2.83Å; Q465-L468 PolarHBondContact O-N 3.19Å; L468-G470 VanDerWaalsContact C-N 3.28Å; L468-G470 PolarHBondContact O-N 2.94Å; L468-L471 PolarHBondContact O-N 3.13Å; L468-A472 WeakPolarHBondContact O-CB 3.17Å; L468-A472 PolarHBondContact O-N 3.35Å; L468-F533 HydrophobicContact CD2-CD2 3.72Å; L468-F533 HydrophobicContact CD2-CE2 3.71Å; L468-R536 HydrophobicContact CD1-CG 4.24Å; L468-F537 HydrophobicContact CD2-CE2 4.33Å
469	D	78.4	Confident	73.5	Confident	73 Å²	73	61.3 Å²	61.3	39%	0.39	32%	0.315	S	S	.	.	H	α-helix	trans	-62.3	-42.4	174.9	-74.1	-17	0	0	0	110.4	Q465 L471 A472 Q473 R536	Q465-D469 WeakPolarHBondContact O-CB 3.32Å; Q465-D469 PolarHBondContact O-N 3.46Å; D469-L471 VanDerWaalsContact C-N 3.34Å; D469-L471 PolarHBondContact O-N 2.93Å; D469-A472 PolarHBondContact O-N 2.74Å; D469-Q473 WeakPolarHBondContact O-CG 3.45Å; D469-Q473 PolarHBondContact O-N 2.62Å; D469-R536 IonicContact OD1-CZ 3.45Å; D469-R536 IonicContact OD1-NH2 3.01Å; D469-R536 PolarHBondContact OD1-NH2 3.1Å
470	G	78.8	Confident	74.7	Confident	7 Å²	7	60 Å²	60	7%	0.072	31%	0.309	C	S	.	.	H	α-helix	trans	-61.6	-39.2	172.6	0	0	0	0	0	113.3	R448 T466 A467 L468 Q473	R448-G470 PolarHBondContact NH1-O 3.36Å; T466-G470 PolarHBondContact O-N 2.9Å; A467-G470 PolarHBondContact O-N 3.14Å; L468-G470 VanDerWaalsContact C-N 3.28Å; L468-G470 PolarHBondContact O-N 2.94Å; G470-Q473 PolarHBondContact O-N 2.83Å
471	L	84.6	Confident	75.7	Confident	0 Å²	0	58.4 Å²	58.4	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-69.1	-40.1	177.6	-176.1	68.9	0	0	0	111.8	P445 R448 F449 A467 L468 D469 Q473 L474 V475 L484 F533 F537	P445-L471 HydrophobicContact CB-CD1 3.97Å; P445-L471 WeakPolarHBondContact O-CD1 3.26Å; R448-L471 HydrophobicContact CB-CB 4.25Å; R448-L471 HydrophobicContact CB-CD1 4.15Å; F449-L471 HydrophobicContact CB-CD1 4.38Å; F449-L471 HydrophobicContact CB-CD2 4.13Å; F449-L471 HydrophobicContact CD2-CD2 3.89Å; A467-L471 WeakPolarHBondContact O-CB 3.38Å; A467-L471 PolarHBondContact O-N 3.48Å; L468-L471 PolarHBondContact O-N 3.13Å; D469-L471 VanDerWaalsContact C-N 3.34Å; D469-L471 PolarHBondContact O-N 2.93Å; L471-Q473 PolarHBondContact O-N 3.37Å; L471-Q473 VanDerWaalsContact O-N 3.17Å; L471-L474 PolarHBondContact O-N 3.11Å; L471-V475 HydrophobicContact CD1-CG2 3.64Å; L471-V475 HydrophobicContact CG-CG2 3.91Å; L471-V475 PolarHBondContact O-N 3.38Å; L471-L484 HydrophobicContact CD1-CD1 3.89Å; L471-L484 HydrophobicContact CD2-CD1 4.39Å; L471-F533 HydrophobicContact CD2-CE2 3.57Å; L471-F533 HydrophobicContact CD2-CZ 3.61Å; L471-F537 HydrophobicContact CD2-CZ 4.19Å; L471-F537 HydrophobicContact CG-CZ 4.49Å
472	A	79.6	Confident	76.9	Confident	43 Å²	43	56.9 Å²	56.9	36%	0.355	29%	0.294	S	S	.	.	H	α-helix	trans	-60.6	-23.8	177.9	0	0	0	0	0	113	L468 D469 F537	L468-A472 WeakPolarHBondContact O-CB 3.17Å; L468-A472 PolarHBondContact O-N 3.35Å; D469-A472 PolarHBondContact O-N 2.74Å; A472-F537 HydrophobicContact CB-CE1 3.96Å; A472-F537 HydrophobicContact CB-CZ 4.21Å
473	Q	79.5	Confident	77.9	Confident	159 Å²	159	55.7 Å²	55.7	74%	0.743	29%	0.287	S	S	*	.	H	α-helix	trans	-79.9	-27	173.6	-65.8	173	5.6	0	0	113.4	D469 G470 L471	D469-Q473 WeakPolarHBondContact O-CG 3.45Å; D469-Q473 PolarHBondContact O-N 2.62Å; G470-Q473 PolarHBondContact O-N 2.83Å; L471-Q473 PolarHBondContact O-N 3.37Å; L471-Q473 VanDerWaalsContact O-N 3.17Å
474	L	80.3	Confident	78.6	Confident	54 Å²	54	54.5 Å²	54.5	28%	0.283	28%	0.28	S	S	.	.	H	α-helix	trans	-93.6	-28.5	-175.4	-65	177.2	0	0	0	113.3	P445 R448 L471	P445-L474 HydrophobicContact CB-CB 4.47Å; P445-L474 HydrophobicContact CG-CB 4.12Å; R448-L474 HydrophobicContact CG-CD1 4.29Å; L471-L474 PolarHBondContact O-N 3.11Å
475	V	77.4	Confident	79.4	Confident	21 Å²	21	54.2 Å²	54.2	13%	0.127	28%	0.279	C	S	.	.			trans	-94.1	123.2	-175.2	-179.6	0	0	0	0	110.9	P445 L471 T477 Q480 L481 L484	P445-V475 HydrophobicContact CB-CG2 4.04Å; L471-V475 HydrophobicContact CD1-CG2 3.64Å; L471-V475 HydrophobicContact CG-CG2 3.91Å; L471-V475 PolarHBondContact O-N 3.38Å; V475-T477 WeakPolarHBondContact CG1-O 3.5Å; V475-Q480 HydrophobicContact CG1-CB 3.77Å; V475-L481 HydrophobicContact CB-CD2 4.08Å; V475-L481 HydrophobicContact CG1-CD2 3.57Å; V475-L481 HydrophobicContact CG1-CG 3.75Å; V475-L481 HydrophobicContact CG2-CD2 4.12Å; V475-L484 HydrophobicContact CG2-CD1 4Å
476	V	65.9	Low	80.3	Confident	126 Å²	126	57.1 Å²	57.1	76%	0.764	29%	0.289	S	S	*	.			trans	-100.4	-32.7	-175.9	-175.9	0	0	0	0	111.9
477	T	74.4	Confident	80.9	Confident	68 Å²	68	60.9 Å²	60.9	42%	0.417	29%	0.294	S	S	.	.			trans	-124.5	149.3	-172.1	67.4	0	0	0	0	113	V475 K479 Q480	V475-T477 WeakPolarHBondContact CG1-O 3.5Å; T477-K479 PolarHBondContact O-N 3.24Å; T477-Q480 WeakPolarHBondContact O-CB 3.4Å; T477-Q480 PolarHBondContact O-N 3.16Å; T477-Q480 VanDerWaalsContact O-N 3.09Å; T477-Q480 WeakPolarHBondContact OG1-CG 3.38Å
478	R	71.3	Confident	81.5	Confident	137 Å²	137	60.9 Å²	60.9	52%	0.517	29%	0.294	S	S	.	.	H	α-helix	trans	-59.2	-35.7	176.1	-64.8	179.8	-178.6	170.2	-1.1	112.5	Q480 L481 V482 N541	R478-Q480 VanDerWaalsContact C-N 3.27Å; R478-Q480 PolarHBondContact O-N 3.34Å; R478-L481 WeakPolarHBondContact O-CB 3.4Å; R478-L481 PolarHBondContact O-N 3.3Å; R478-L481 VanDerWaalsContact O-N 3.13Å; R478-V482 PolarHBondContact O-N 3.2Å; R478-N541 PolarHBondContact O-ND2 2.86Å
479	K	75.3	Confident	82	Confident	72 Å²	72	60.9 Å²	60.9	31%	0.313	29%	0.294	S	S	.	.	H	α-helix	trans	-59.8	-35.7	175.9	-67.9	-176.3	-178.2	173.7	0	112.2	T477 V482 K483 E668	T477-K479 PolarHBondContact O-N 3.24Å; K479-V482 PolarHBondContact O-N 3.25Å; K479-K483 WeakPolarHBondContact O-CG 3.2Å; K479-K483 PolarHBondContact O-N 3.16Å; K479-K483 VanDerWaalsContact O-N 3.09Å; K479-E668 IonicContact NZ-OE1 2.72Å; K479-E668 PolarHBondContact NZ-OE1 3.44Å; K479-E668 IonicContact NZ-OE2 2.65Å; K479-E668 PolarHBondContact NZ-OE2 3.4Å
480	Q	81.8	Confident	82.4	Confident	78 Å²	78	58.3 Å²	58.3	36%	0.364	29%	0.285	S	S	.	.	H	α-helix	trans	-64.8	-41.3	176	-76.3	173.2	-17.7	0	0	111.2	V475 T477 R478 V482 K483 L484	V475-Q480 HydrophobicContact CG1-CB 3.77Å; T477-Q480 WeakPolarHBondContact O-CB 3.4Å; T477-Q480 PolarHBondContact O-N 3.16Å; T477-Q480 VanDerWaalsContact O-N 3.09Å; T477-Q480 WeakPolarHBondContact OG1-CG 3.38Å; R478-Q480 VanDerWaalsContact C-N 3.27Å; R478-Q480 PolarHBondContact O-N 3.34Å; Q480-V482 VanDerWaalsContact C-N 3.34Å; Q480-V482 PolarHBondContact O-N 3.21Å; Q480-K483 WeakPolarHBondContact O-CB 3.39Å; Q480-K483 PolarHBondContact O-N 3.08Å; Q480-K483 VanDerWaalsContact O-N 3.15Å; Q480-L484 WeakPolarHBondContact O-CG 3.49Å; Q480-L484 PolarHBondContact O-N 2.82Å
481	L	84	Confident	82.8	Confident	11 Å²	11	59.6 Å²	59.6	6%	0.058	29%	0.29	C	S	.	.	H	α-helix	trans	-61.3	-40.2	178.3	-59.8	172.6	0	0	0	112.4	V475 R478 L484 A485 F533 F537 Y545	V475-L481 HydrophobicContact CB-CD2 4.08Å; V475-L481 HydrophobicContact CG1-CD2 3.57Å; V475-L481 HydrophobicContact CG1-CG 3.75Å; V475-L481 HydrophobicContact CG2-CD2 4.12Å; R478-L481 WeakPolarHBondContact O-CB 3.4Å; R478-L481 PolarHBondContact O-N 3.3Å; R478-L481 VanDerWaalsContact O-N 3.13Å; L481-L484 PolarHBondContact O-N 3.31Å; L481-A485 PolarHBondContact O-N 3.07Å; L481-F533 HydrophobicContact CB-CE1 4.37Å; L481-F533 HydrophobicContact CD2-CE1 3.93Å; L481-F533 HydrophobicContact CD2-CZ 3.78Å; L481-F537 HydrophobicContact CD1-CB 3.95Å; L481-F537 HydrophobicContact CD1-CD1 3.9Å; L481-F537 HydrophobicContact CD1-CG 4Å; L481-F537 HydrophobicContact CD2-CD1 4.2Å; L481-F537 HydrophobicContact CD2-CE1 4.23Å; L481-Y545 VanDerWaalsContact CB-OH 3.31Å; L481-Y545 WeakPolarHBondContact CB-OH 3.2Å
482	V	83.4	Confident	83	Confident	18 Å²	18	59.6 Å²	59.6	11%	0.109	29%	0.29	C	S	.	.	H	α-helix	trans	-65.4	-41.8	174.8	-178.8	0	0	0	0	111.1	R478 K479 Q480 L484 A485 Y486 N541 T544 Y545	R478-V482 PolarHBondContact O-N 3.2Å; K479-V482 PolarHBondContact O-N 3.25Å; Q480-V482 VanDerWaalsContact C-N 3.34Å; Q480-V482 PolarHBondContact O-N 3.21Å; V482-L484 VanDerWaalsContact C-N 3.28Å; V482-L484 PolarHBondContact O-N 2.91Å; V482-A485 PolarHBondContact O-N 3.47Å; V482-Y486 PolarHBondContact O-N 3Å; V482-N541 HydrophobicContact CG2-CB 4.19Å; V482-N541 WeakPolarHBondContact CG2-ND2 3.48Å; V482-T544 HydrophobicContact CG1-CG2 3.77Å; V482-T544 HydrophobicContact CG2-CG2 4.04Å; V482-Y545 HydrophobicContact CG2-CE1 4.36Å
483	K	86.1	Confident	83.3	Confident	131 Å²	131	57.5 Å²	57.5	57%	0.57	27%	0.273	S	S	*	.	H	α-helix	trans	-62.1	-33.9	175.2	-72.9	179	179	-172.9	0	112.9	K479 Q480 R487	K479-K483 WeakPolarHBondContact O-CG 3.2Å; K479-K483 PolarHBondContact O-N 3.16Å; K479-K483 VanDerWaalsContact O-N 3.09Å; Q480-K483 WeakPolarHBondContact O-CB 3.39Å; Q480-K483 PolarHBondContact O-N 3.08Å; Q480-K483 VanDerWaalsContact O-N 3.15Å; K483-R487 WeakPolarHBondContact O-CB 3.25Å; K483-R487 VanDerWaalsContact O-CG 3.31Å; K483-R487 WeakPolarHBondContact O-CG 3.43Å; K483-R487 PolarHBondContact O-N 2.95Å
484	L	89.3	Confident	83.6	Confident	11 Å²	11	52.4 Å²	52.4	6%	0.058	25%	0.251	C	S	.	.	H	α-helix	trans	-66.3	-46.4	175	-66.2	179.1	0	0	0	111.2	P445 F446 F449 L471 V475 Q480 L481 V482 Y486 R487 M488	P445-L484 HydrophobicContact CB-CD1 4.18Å; P445-L484 HydrophobicContact CB-CD2 4.23Å; F446-L484 HydrophobicContact CB-CD2 3.85Å; F446-L484 HydrophobicContact CD2-CD2 4.07Å; F446-L484 HydrophobicContact CG-CD2 4.49Å; F449-L484 HydrophobicContact CB-CB 4.4Å; F449-L484 HydrophobicContact CB-CD1 4.11Å; F449-L484 HydrophobicContact CD1-CB 4.04Å; F449-L484 HydrophobicContact CD2-CB 4.24Å; F449-L484 HydrophobicContact CD2-CD1 4.42Å; F449-L484 HydrophobicContact CE1-CB 4.36Å; F449-L484 HydrophobicContact CG-CB 3.97Å; F449-L484 HydrophobicContact CG-CD1 4.34Å; L471-L484 HydrophobicContact CD1-CD1 3.89Å; L471-L484 HydrophobicContact CD2-CD1 4.39Å; V475-L484 HydrophobicContact CG2-CD1 4Å; Q480-L484 WeakPolarHBondContact O-CG 3.49Å; Q480-L484 PolarHBondContact O-N 2.82Å; L481-L484 PolarHBondContact O-N 3.31Å; V482-L484 VanDerWaalsContact C-N 3.28Å; V482-L484 PolarHBondContact O-N 2.91Å; L484-Y486 PolarHBondContact O-N 3.28Å; L484-R487 PolarHBondContact O-N 3.42Å; L484-M488 WeakPolarHBondContact O-CB 3.2Å; L484-M488 PolarHBondContact O-N 3.17Å
485	A	89	Confident	83.7	Confident	0 Å²	0	52.1 Å²	52.1	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-60.5	-44.4	174.8	0	0	0	0	0	111.8	F449 L481 V482 R487 M488 C489 F526 L530 Y545 L548	F449-A485 HydrophobicContact CZ-CB 4.34Å; L481-A485 PolarHBondContact O-N 3.07Å; V482-A485 PolarHBondContact O-N 3.47Å; A485-R487 PolarHBondContact O-N 3Å; A485-M488 WeakPolarHBondContact O-CB 3.42Å; A485-M488 PolarHBondContact O-N 3.08Å; A485-M488 VanDerWaalsContact O-N 3.14Å; A485-C489 PolarHBondContact O-N 3.13Å; A485-C489 PolarHBondContact O-SG 2.73Å; A485-F526 HydrophobicContact CB-CZ 4.32Å; A485-L530 HydrophobicContact CB-CD1 4.2Å; A485-L530 HydrophobicContact CB-CD2 3.96Å; A485-Y545 HydrophobicContact CB-CD1 3.71Å; A485-Y545 HydrophobicContact CB-CE1 3.6Å; A485-L548 HydrophobicContact CB-CD2 3.8Å
486	Y	89	Confident	83.6	Confident	114 Å²	114	54.6 Å²	54.6	45%	0.447	26%	0.264	S	S	.	.	H	α-helix	trans	-58.7	-45.6	176.3	177.7	-92.1	0	0	0	112.4	V482 L484 M488 C489 G490 L548 R608	V482-Y486 PolarHBondContact O-N 3Å; L484-Y486 PolarHBondContact O-N 3.28Å; Y486-M488 VanDerWaalsContact C-N 3.29Å; Y486-M488 PolarHBondContact O-N 3.25Å; Y486-C489 PolarHBondContact O-N 3.34Å; Y486-G490 PolarHBondContact O-N 2.91Å; Y486-L548 HydrophobicContact CD2-CD1 3.68Å; Y486-R608 PolarHBondContact OH-NH1 3.34Å
487	R	90	Very high	84.1	Confident	154 Å²	154	50.5 Å²	50.5	58%	0.581	24%	0.236	S	C	*	.	H	α-helix	trans	-64.2	-35.2	176.1	-74.9	177.8	-179.2	-167.5	-1.3	112.4	F446 K483 L484 A485 G490 L491	F446-R487 HydrophobicContact CD2-CB 3.76Å; F446-R487 HydrophobicContact CE2-CB 3.41Å; F446-R487 VanDerWaalsContact CE2-CB 3.41Å; F446-R487 HydrophobicContact CZ-CB 4.14Å; K483-R487 WeakPolarHBondContact O-CB 3.25Å; K483-R487 VanDerWaalsContact O-CG 3.31Å; K483-R487 WeakPolarHBondContact O-CG 3.43Å; K483-R487 PolarHBondContact O-N 2.95Å; L484-R487 PolarHBondContact O-N 3.42Å; A485-R487 PolarHBondContact O-N 3Å; R487-G490 PolarHBondContact O-N 3.37Å; R487-L491 PolarHBondContact O-N 3Å
488	M	91.9	Very high	84	Confident	0 Å²	0	47.3 Å²	47.3	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-71.1	-39.7	177.7	-169.3	69.3	-166.3	0	0	111.6	F446 F449 H450 F453 L484 A485 Y486 G490 L491 I492 F498 F526	F446-M488 HydrophobicContact CE2-CB 4.23Å; F446-M488 HydrophobicContact CE2-SD 4.46Å; F446-M488 HydrophobicContact CZ-SD 4.32Å; F449-M488 HydrophobicContact CD1-CB 4.17Å; F449-M488 HydrophobicContact CD1-CG 4.45Å; F449-M488 HydrophobicContact CE1-CB 3.63Å; F449-M488 HydrophobicContact CE1-CG 3.96Å; H450-M488 HydrophobicContact CB-SD 4.35Å; F453-M488 HydrophobicContact CB-CE 4.16Å; F453-M488 HydrophobicContact CD1-CE 3.23Å; F453-M488 HydrophobicContact CE1-CE 3.83Å; F453-M488 HydrophobicContact CG-CE 3.97Å; L484-M488 WeakPolarHBondContact O-CB 3.2Å; L484-M488 PolarHBondContact O-N 3.17Å; A485-M488 WeakPolarHBondContact O-CB 3.42Å; A485-M488 PolarHBondContact O-N 3.08Å; A485-M488 VanDerWaalsContact O-N 3.14Å; Y486-M488 VanDerWaalsContact C-N 3.29Å; Y486-M488 PolarHBondContact O-N 3.25Å; M488-G490 VanDerWaalsContact C-N 3.31Å; M488-G490 PolarHBondContact O-N 3.2Å; M488-L491 HydrophobicContact CE-CD2 4.26Å; M488-L491 WeakPolarHBondContact O-CB 3.49Å; M488-L491 PolarHBondContact O-N 3.4Å; M488-L491 HydrophobicContact SD-CD2 3.93Å; M488-I492 HydrophobicContact CE-CD1 4.27Å; M488-I492 HydrophobicContact CE-CG1 4.26Å; M488-I492 HydrophobicContact CG-CD1 4.22Å; M488-I492 VanDerWaalsContact O-CG1 3.31Å; M488-I492 WeakPolarHBondContact O-CG1 3.45Å; M488-I492 PolarHBondContact O-N 3.41Å; M488-F498 HydrophobicContact CE-CE1 4.25Å; M488-F498 HydrophobicContact CE-CE2 3.91Å; M488-F498 HydrophobicContact CE-CZ 3.41Å; M488-F498 VanDerWaalsContact CE-CZ 3.41Å; M488-F526 HydrophobicContact CB-CE1 4.19Å; M488-F526 HydrophobicContact CB-CE2 4.05Å; M488-F526 HydrophobicContact CB-CZ 3.61Å; M488-F526 HydrophobicContact CG-CD2 4.1Å; M488-F526 HydrophobicContact CG-CE1 4.23Å; M488-F526 HydrophobicContact CG-CE2 3.49Å; M488-F526 VanDerWaalsContact CG-CE2 3.49Å; M488-F526 HydrophobicContact CG-CZ 3.57Å
489	C	91.1	Very high	84	Confident	1 Å²	1	41.2 Å²	41.2	1%	0.007	20%	0.195	C	C	.	.	H	α-helix	trans	-58.3	-44.1	169.5	-72.5	0	0	0	0	111.6	A485 Y486 I492 L493 L523 F526	A485-C489 PolarHBondContact O-N 3.13Å; A485-C489 PolarHBondContact O-SG 2.73Å; Y486-C489 PolarHBondContact O-N 3.34Å; C489-I492 PolarHBondContact O-N 3.14Å; C489-L493 WeakPolarHBondContact O-CB 3.21Å; C489-L493 VanDerWaalsContact O-CG 3.29Å; C489-L493 WeakPolarHBondContact O-CG 3.49Å; C489-L493 PolarHBondContact O-N 2.91Å; C489-L523 HydrophobicContact CB-CD2 4.49Å; C489-F526 VanDerWaalsContact SG-CE1 3.58Å
490	G	88.1	Confident	83.5	Confident	19 Å²	19	39.9 Å²	39.9	20%	0.196	20%	0.201	C	C	.	.	H	α-helix	trans	-60	-44.4	173.6	0	0	0	0	0	112.4	Y486 R487 M488 I492 L493 D494	Y486-G490 PolarHBondContact O-N 2.91Å; R487-G490 PolarHBondContact O-N 3.37Å; M488-G490 VanDerWaalsContact C-N 3.31Å; M488-G490 PolarHBondContact O-N 3.2Å; G490-I492 PolarHBondContact O-N 2.81Å; G490-L493 PolarHBondContact O-N 3.3Å; G490-D494 VanDerWaalsContact O-CB 3.3Å; G490-D494 WeakPolarHBondContact O-CB 3.37Å; G490-D494 PolarHBondContact O-N 3.08Å
491	L	87.8	Confident	82.6	Confident	34 Å²	34	36.5 Å²	36.5	18%	0.178	19%	0.186	C	C	.	.	H	α-helix	trans	-59.1	-44.4	174.9	-174.4	71.3	0	0	0	112	F446 H450 R487 M488 T495 E497 F498	F446-L491 HydrophobicContact CE1-CD2 4.47Å; F446-L491 HydrophobicContact CZ-CB 4.47Å; F446-L491 HydrophobicContact CZ-CD2 4.13Å; H450-L491 VanDerWaalsContact CE1-CD2 3.5Å; H450-L491 WeakPolarHBondContact CE1-CD2 3.39Å; R487-L491 PolarHBondContact O-N 3Å; M488-L491 HydrophobicContact CE-CD2 4.26Å; M488-L491 WeakPolarHBondContact O-CB 3.49Å; M488-L491 PolarHBondContact O-N 3.4Å; M488-L491 HydrophobicContact SD-CD2 3.93Å; L491-T495 HydrophobicContact CD1-CG2 3.78Å; L491-T495 WeakPolarHBondContact O-CB 3.48Å; L491-T495 PolarHBondContact O-N 3.24Å; L491-T495 PolarHBondContact O-OG1 2.93Å; L491-E497 WeakPolarHBondContact CD2-OE2 3.31Å; L491-F498 HydrophobicContact CD2-CE2 4.21Å; L491-F498 HydrophobicContact CG-CE2 4.29Å
492	I	87.6	Confident	81.5	Confident	0 Å²	0	37.2 Å²	37.2	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-66.5	-39.3	178.2	-66.7	164.8	0	0	0	111.6	F453 M488 C489 G490 F498 K519 A522 L523 F526	F453-I492 HydrophobicContact CE1-CD1 4.43Å; M488-I492 HydrophobicContact CE-CD1 4.27Å; M488-I492 HydrophobicContact CE-CG1 4.26Å; M488-I492 HydrophobicContact CG-CD1 4.22Å; M488-I492 VanDerWaalsContact O-CG1 3.31Å; M488-I492 WeakPolarHBondContact O-CG1 3.45Å; M488-I492 PolarHBondContact O-N 3.41Å; C489-I492 PolarHBondContact O-N 3.14Å; G490-I492 PolarHBondContact O-N 2.81Å; I492-F498 HydrophobicContact CB-CD2 4.35Å; I492-F498 HydrophobicContact CG1-CD2 3.75Å; I492-F498 HydrophobicContact CG1-CE2 3.76Å; I492-F498 HydrophobicContact CG1-CG 4.47Å; I492-F498 HydrophobicContact CG1-CZ 4.49Å; I492-K519 WeakPolarHBondContact O-CG 3.1Å; I492-A522 HydrophobicContact CG2-CB 3.68Å; I492-L523 HydrophobicContact CB-CD2 4.23Å; I492-L523 HydrophobicContact CD1-CD2 4.13Å; I492-L523 HydrophobicContact CG2-CD2 3.92Å; I492-L523 HydrophobicContact CG2-CG 3.87Å; I492-F526 HydrophobicContact CD1-CB 3.82Å; I492-F526 HydrophobicContact CD1-CD1 4.03Å; I492-F526 HydrophobicContact CD1-CD2 4.26Å; I492-F526 HydrophobicContact CD1-CG 3.77Å
493	L	86.7	Confident	80.4	Confident	0 Å²	0	37.1 Å²	37.1	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-76.2	-40.5	-177.6	-76.6	-178.1	0	0	0	113.2	C489 G490 K519 L523 C552 L556 V604	C489-L493 WeakPolarHBondContact O-CB 3.21Å; C489-L493 VanDerWaalsContact O-CG 3.29Å; C489-L493 WeakPolarHBondContact O-CG 3.49Å; C489-L493 PolarHBondContact O-N 2.91Å; G490-L493 PolarHBondContact O-N 3.3Å; L493-K519 WeakPolarHBondContact O-CD 3.28Å; L493-K519 WeakPolarHBondContact O-CE 3.21Å; L493-K519 PolarHBondContact O-NZ 3.27Å; L493-L523 HydrophobicContact CD2-CD1 3.92Å; L493-C552 HydrophobicContact CD1-CB 3.81Å; L493-C552 VanDerWaalsContact CD1-SG 3.59Å; L493-C552 HydrophobicContact CD2-CB 4.47Å; L493-C552 HydrophobicContact CG-CB 4.37Å; L493-L556 HydrophobicContact CD2-CD1 3.87Å; L493-L556 HydrophobicContact CD2-CD2 3.88Å; L493-L556 HydrophobicContact CD2-CG 3.62Å; L493-V604 HydrophobicContact CB-CB 4.22Å; L493-V604 HydrophobicContact CD2-CB 4.08Å; L493-V604 HydrophobicContact CD2-CG1 4Å
494	D	86.2	Confident	78.8	Confident	52 Å²	52	37.3 Å²	37.3	28%	0.278	20%	0.201	S	C	.	.	H	α-helix	trans	-104.6	-1.8	-166.3	-55.1	-35.6	0	0	0	113.2	G490 Q602 E603 V604 S605	G490-D494 VanDerWaalsContact O-CB 3.3Å; G490-D494 WeakPolarHBondContact O-CB 3.37Å; G490-D494 PolarHBondContact O-N 3.08Å; D494-Q602 CarbonylContact C-O 3.55Å; D494-Q602 WeakPolarHBondContact CA-O 3.42Å; D494-E603 HydrophobicContact CB-CG 4.48Å; D494-E603 VanDerWaalsContact OD1-C 3.24Å; D494-E603 WeakPolarHBondContact OD1-CA 3.46Å; D494-V604 PolarHBondContact OD1-N 3.09Å; D494-S605 WeakPolarHBondContact OD1-CB 3.4Å; D494-S605 PolarHBondContact OD1-N 3.35Å; D494-S605 PolarHBondContact OD1-OG 3.48Å; D494-S605 VanDerWaalsContact OD2-CB 3.25Å; D494-S605 WeakPolarHBondContact OD2-CB 3.46Å; D494-S605 PolarHBondContact OD2-OG 2.75Å
495	T	81.6	Confident	76.9	Confident	48 Å²	48	38.4 Å²	38.4	29%	0.294	22%	0.215	S	C	.	.			trans	-128.2	157.1	175.9	78.2	0	0	0	0	112.1	L491 E497 K519	L491-T495 HydrophobicContact CD1-CG2 3.78Å; L491-T495 WeakPolarHBondContact O-CB 3.48Å; L491-T495 PolarHBondContact O-N 3.24Å; L491-T495 PolarHBondContact O-OG1 2.93Å; T495-E497 VanDerWaalsContact C-N 3.27Å; T495-E497 PolarHBondContact O-N 2.73Å; T495-E497 WeakPolarHBondContact OG1-CB 3.37Å; T495-K519 WeakPolarHBondContact O-CE 3.26Å
496	D	76	Confident	74.8	Confident	73 Å²	73	45.5 Å²	45.5	39%	0.39	25%	0.252	S	S	.	.	S	Bend	trans	-90.7	12	177.6	-61.8	-26.8	0	0	0	112.9	F498 V499 K519	D496-F498 PolarHBondContact O-N 3.07Å; D496-F498 VanDerWaalsContact O-N 3.13Å; D496-V499 HydrophobicContact CB-CB 4.14Å; D496-V499 HydrophobicContact CB-CG2 4.03Å; D496-V499 WeakPolarHBondContact O-CB 3.38Å; D496-V499 PolarHBondContact O-N 3.49Å; D496-K519 IonicContact OD1-NZ 3.43Å
497	E	74.8	Confident	72.9	Confident	39 Å²	39	46.2 Å²	46.2	18%	0.182	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.2	-35.7	-176.1	-172.8	165.7	-157.7	0	0	112	I430 R431 H450 L491 T495	I430-E497 HydrophobicContact CG2-CB 4.47Å; I430-E497 HydrophobicContact CG2-CG 3.23Å; I430-E497 WeakPolarHBondContact CG2-O 3.44Å; R431-E497 IonicContact CZ-OE1 3.16Å; R431-E497 IonicContact NE-OE1 3.76Å; R431-E497 PolarHBondContact NE-OE1 3.06Å; R431-E497 IonicContact NH2-OE1 3.17Å; R431-E497 PolarHBondContact NH2-OE1 3.01Å; R431-E497 VanDerWaalsContact NH2-OE1 3.08Å; H450-E497 IonicContact CE1-OE1 3.84Å; H450-E497 PolarHBondContact CE1-OE1 2.64Å; H450-E497 IonicContact CE1-OE2 2.96Å; H450-E497 PolarHBondContact CE1-OE2 2.81Å; H450-E497 IonicContact NE2-OE1 3.37Å; H450-E497 IonicContact NE2-OE2 3.08Å; L491-E497 WeakPolarHBondContact CD2-OE2 3.31Å; T495-E497 VanDerWaalsContact C-N 3.27Å; T495-E497 PolarHBondContact O-N 2.73Å; T495-E497 WeakPolarHBondContact OG1-CB 3.37Å
498	F	74.3	Confident	71.3	Confident	1 Å²	1	44.6 Å²	44.6	0%	0.004	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.7	-9.6	-179.7	-58.7	-79.7	0	0	0	113.8	I430 H450 F453 L454 L457 M488 L491 I492 D496 G500 T501 F502 A522	I430-F498 HydrophobicContact CD1-CD1 4.04Å; I430-F498 HydrophobicContact CD1-CE1 4.13Å; H450-F498 AromaticContact NE2-CZ 3.78Å; F453-F498 AromaticContact CD1-CE1 3.81Å; F453-F498 HydrophobicContact CD1-CE1 3.81Å; F453-F498 HydrophobicContact CD1-CZ 4.11Å; F453-F498 HydrophobicContact CE1-CD1 4.05Å; F453-F498 AromaticContact CE1-CE1 3.56Å; F453-F498 HydrophobicContact CE1-CE1 3.56Å; F453-F498 HydrophobicContact CE1-CZ 4.08Å; L454-F498 HydrophobicContact CD2-CE1 3.97Å; L454-F498 HydrophobicContact CD2-CZ 4.42Å; L457-F498 HydrophobicContact CD1-CD1 4.13Å; L457-F498 HydrophobicContact CD1-CE1 4.04Å; M488-F498 HydrophobicContact CE-CE1 4.25Å; M488-F498 HydrophobicContact CE-CE2 3.91Å; M488-F498 HydrophobicContact CE-CZ 3.41Å; M488-F498 VanDerWaalsContact CE-CZ 3.41Å; L491-F498 HydrophobicContact CD2-CE2 4.21Å; L491-F498 HydrophobicContact CG-CE2 4.29Å; I492-F498 HydrophobicContact CB-CD2 4.35Å; I492-F498 HydrophobicContact CG1-CD2 3.75Å; I492-F498 HydrophobicContact CG1-CE2 3.76Å; I492-F498 HydrophobicContact CG1-CG 4.47Å; I492-F498 HydrophobicContact CG1-CZ 4.49Å; D496-F498 PolarHBondContact O-N 3.07Å; D496-F498 VanDerWaalsContact O-N 3.13Å; F498-G500 PolarHBondContact O-N 2.93Å; F498-T501 PolarHBondContact O-N 3.22Å; F498-T501 PolarHBondContact O-OG1 2.92Å; F498-F502 HydrophobicContact CB-CD2 4.5Å; F498-F502 HydrophobicContact CB-CE2 4.3Å; F498-F502 WeakPolarHBondContact O-CD2 3.41Å; F498-A522 HydrophobicContact CB-CB 3.94Å; F498-A522 HydrophobicContact CG-CB 4.44Å
499	V	71.1	Confident	69.9	Low	10 Å²	10	51.3 Å²	51.3	6%	0.061	31%	0.312	C	S	.	.	H	α-helix	trans	-66	-45.4	-171.5	172	0	0	0	0	111.2	D496 T501 F502 S503 M510 Q515 K519	D496-V499 HydrophobicContact CB-CB 4.14Å; D496-V499 HydrophobicContact CB-CG2 4.03Å; D496-V499 WeakPolarHBondContact O-CB 3.38Å; D496-V499 PolarHBondContact O-N 3.49Å; V499-T501 PolarHBondContact O-N 3.45Å; V499-T501 VanDerWaalsContact O-N 3.12Å; V499-F502 PolarHBondContact O-N 3.33Å; V499-S503 WeakPolarHBondContact O-CB 3.38Å; V499-S503 PolarHBondContact O-N 3.21Å; V499-S503 PolarHBondContact O-OG 3.48Å; V499-M510 HydrophobicContact CG1-CE 3.09Å; V499-M510 HydrophobicContact CG1-SD 4.47Å; V499-Q515 HydrophobicContact CG1-CB 4.19Å; V499-Q515 HydrophobicContact CG1-CG 4Å; V499-Q515 HydrophobicContact CG2-CB 4.49Å; V499-K519 HydrophobicContact CG2-CG 3.99Å
500	G	64.2	Low	68.8	Low	43 Å²	43	52.9 Å²	52.9	44%	0.443	32%	0.319	S	S	.	.	H	α-helix	trans	-65	-14.7	178.2	0	0	0	0	0	114.7	F498	F498-G500 PolarHBondContact O-N 2.93Å
501	T	62.1	Low	68.3	Low	7 Å²	7	55.8 Å²	55.8	4%	0.043	34%	0.335	C	S	.	.	H	α-helix	trans	-85	-30.8	-178.8	68.3	0	0	0	0	113.4	L428 I430 F498 V499	L428-T501 HydrophobicContact CD2-CG2 3.6Å; I430-T501 HydrophobicContact CD1-CG2 3.44Å; I430-T501 VanDerWaalsContact CD1-CG2 3.44Å; I430-T501 HydrophobicContact CG1-CG2 3.35Å; F498-T501 PolarHBondContact O-N 3.22Å; F498-T501 PolarHBondContact O-OG1 2.92Å; V499-T501 PolarHBondContact O-N 3.45Å; V499-T501 VanDerWaalsContact O-N 3.12Å
502	F	62.3	Low	68	Low	26 Å²	26	55.3 Å²	55.3	11%	0.114	33%	0.332	C	S	.	.	H	α-helix	trans	-109.9	-4.1	-175.2	-59.5	-63.4	0	0	0	113.6	L457 F498 V499 K521 A522 I525	L457-F502 HydrophobicContact CD2-CZ 4.15Å; F498-F502 HydrophobicContact CB-CD2 4.5Å; F498-F502 HydrophobicContact CB-CE2 4.3Å; F498-F502 WeakPolarHBondContact O-CD2 3.41Å; V499-F502 PolarHBondContact O-N 3.33Å; F502-K521 HydrophobicContact CB-CB 4.25Å; F502-K521 HydrophobicContact CB-CD 4.33Å; F502-K521 HydrophobicContact CD1-CB 4.4Å; F502-K521 HydrophobicContact CG-CB 4.16Å; F502-A522 HydrophobicContact CD2-CB 3.86Å; F502-A522 HydrophobicContact CE2-CB 3.56Å; F502-I525 HydrophobicContact CD1-CD1 4.14Å; F502-I525 HydrophobicContact CE1-CD1 3.21Å; F502-I525 HydrophobicContact CZ-CD1 3.47Å; F502-I525 VanDerWaalsContact CZ-CD1 3.47Å
503	S	59.6	Low	67.6	Low	16 Å²	16	58.6 Å²	58.6	11%	0.112	36%	0.355	C	S	.	.			trans	-74.4	147.1	174.4	65.4	0	0	0	0	112.3	R427 V499 G505 M510	R427-S503 PolarHBondContact NH1-O 2.91Å; V499-S503 WeakPolarHBondContact O-CB 3.38Å; V499-S503 PolarHBondContact O-N 3.21Å; V499-S503 PolarHBondContact O-OG 3.48Å; S503-G505 PolarHBondContact OG-O 3.33Å; S503-M510 WeakPolarHBondContact CB-SD 3.4Å
504	T	52.7	Low	67.2	Low	136 Å²	136	59.7 Å²	59.7	83%	0.834	36%	0.364	S	S	*	.	S	Bend	trans	-80.7	-29.8	172.8	52.3	0	0	0	0	111.8	R427	R427-T504 PolarHBondContact NH1-O 2.94Å; R427-T504 VanDerWaalsContact NH1-O 3.08Å; R427-T504 PolarHBondContact NH2-O 3.44Å
505	G	49.2	Very low	67	Low	34 Å²	34	58.5 Å²	58.5	35%	0.351	36%	0.357	S	S	.	.			trans	-86	150.7	-178	0	0	0	0	0	115.5	S503	S503-G505 PolarHBondContact OG-O 3.33Å
506	L	43.8	Very low	67.2	Low	148 Å²	148	56.3 Å²	56.3	78%	0.775	34%	0.344	S	S	*	.			trans	-91.9	-0.8	172.8	-81.7	164.9	0	0	0	113.1
507	D	50.5	Low	67.6	Low	130 Å²	130	58 Å²	58	70%	0.695	35%	0.349	S	S	*	.			trans	-83.8	138.9	-169.1	-62	-37.1	0	0	0	111.6	D509	D507-D509 PolarHBondContact O-N 3.42Å
508	S	55.5	Low	67.8	Low	119 Å²	119	56.3 Å²	56.3	83%	0.832	34%	0.341	S	S	*	.	S	Bend	trans	-62	-18.8	174.5	55.2	0	0	0	0	113.3
509	D	62.1	Low	68.4	Low	142 Å²	142	56.3 Å²	56.3	76%	0.759	34%	0.341	S	S	*	.	S	Bend	trans	-108	55.6	-172.8	-63.5	1.2	0	0	0	110	D507	D507-D509 PolarHBondContact O-N 3.42Å
510	M	69.8	Low	69	Low	33 Å²	33	56.4 Å²	56.4	16%	0.163	34%	0.344	C	S	.	.			trans	-72.4	131.3	-179.4	-163.5	175.2	69.1	0	0	110.8	V499 S503 A514 Q515	V499-M510 HydrophobicContact CG1-CE 3.09Å; V499-M510 HydrophobicContact CG1-SD 4.47Å; S503-M510 WeakPolarHBondContact CB-SD 3.4Å; M510-A514 VanDerWaalsContact CE-C 3.46Å; M510-A514 HydrophobicContact CE-CB 4.02Å; M510-A514 HydrophobicContact CG-CB 3.81Å; M510-A514 HydrophobicContact SD-CB 3.76Å; M510-Q515 HydrophobicContact CE-CB 3.89Å; M510-Q515 HydrophobicContact CE-CG 3.32Å; M510-Q515 VanDerWaalsContact CE-N 3.29Å; M510-Q515 PolarHBondContact O-NE2 2.92Å
511	P	76.7	Confident	69.8	Low	81 Å²	81	57.7 Å²	57.7	53%	0.526	34%	0.338	S	S	.	.			trans	-61.7	146.6	177.9	26.3	-35.5	0	0	0	111	S513 A514 Q515	P511-S513 PolarHBondContact O-N 3.45Å; P511-A514 HydrophobicContact CG-CB 4.07Å; P511-A514 PolarHBondContact O-N 2.9Å; P511-Q515 PolarHBondContact O-N 3.43Å
512	I	81	Confident	70.7	Confident	24 Å²	24	57.4 Å²	57.4	12%	0.123	34%	0.336	C	S	.	.	H	α-helix	trans	-61.4	-31.3	-173.8	-158.5	149.3	0	0	0	113.6	A514 Q515 L516 D598 L601	I512-A514 VanDerWaalsContact C-N 3.32Å; I512-A514 PolarHBondContact O-N 3.31Å; I512-Q515 WeakPolarHBondContact O-CA 3.48Å; I512-Q515 WeakPolarHBondContact O-CB 3.36Å; I512-Q515 PolarHBondContact O-N 3.17Å; I512-L516 WeakPolarHBondContact O-CG 3.42Å; I512-L516 PolarHBondContact O-N 3.18Å; I512-D598 VanDerWaalsContact CD1-CA 3.49Å; I512-D598 HydrophobicContact CD1-CB 4.07Å; I512-D598 WeakPolarHBondContact CD1-O 3.17Å; I512-L601 HydrophobicContact CD1-CB 3.41Å; I512-L601 VanDerWaalsContact CD1-CB 3.41Å; I512-L601 HydrophobicContact CD1-CD1 4.07Å; I512-L601 HydrophobicContact CD1-CG 4.42Å; I512-L601 HydrophobicContact CG1-CB 4.1Å
513	S	79.6	Confident	71.8	Confident	68 Å²	68	56.1 Å²	56.1	48%	0.476	33%	0.331	S	S	.	.	H	α-helix	trans	-58.9	-42.4	174.3	53.1	0	0	0	0	112.3	P511 Q515 L516 E517	P511-S513 PolarHBondContact O-N 3.45Å; S513-Q515 VanDerWaalsContact C-N 3.31Å; S513-L516 PolarHBondContact O-N 3.44Å; S513-E517 PolarHBondContact O-N 2.89Å
514	A	79.3	Confident	72.8	Confident	24 Å²	24	60 Å²	60	20%	0.198	35%	0.347	C	S	.	.	H	α-helix	trans	-71.9	-27.5	175.8	0	0	0	0	0	111.9	M510 P511 I512 S518	M510-A514 VanDerWaalsContact CE-C 3.46Å; M510-A514 HydrophobicContact CE-CB 4.02Å; M510-A514 HydrophobicContact CG-CB 3.81Å; M510-A514 HydrophobicContact SD-CB 3.76Å; P511-A514 HydrophobicContact CG-CB 4.07Å; P511-A514 PolarHBondContact O-N 2.9Å; I512-A514 VanDerWaalsContact C-N 3.32Å; I512-A514 PolarHBondContact O-N 3.31Å; A514-S518 WeakPolarHBondContact O-CB 3.38Å; A514-S518 PolarHBondContact O-N 3.45Å; A514-S518 PolarHBondContact O-OG 3.09Å
515	Q	81.7	Confident	73.9	Confident	26 Å²	26	55.7 Å²	55.7	12%	0.121	32%	0.318	C	S	.	.	H	α-helix	trans	-67	-47.7	173.7	-59.5	178.3	10.8	0	0	110	V499 M510 P511 I512 S513 E517 S518 K519	V499-Q515 HydrophobicContact CG1-CB 4.19Å; V499-Q515 HydrophobicContact CG1-CG 4Å; V499-Q515 HydrophobicContact CG2-CB 4.49Å; M510-Q515 HydrophobicContact CE-CB 3.89Å; M510-Q515 HydrophobicContact CE-CG 3.32Å; M510-Q515 VanDerWaalsContact CE-N 3.29Å; M510-Q515 PolarHBondContact O-NE2 2.92Å; P511-Q515 PolarHBondContact O-N 3.43Å; I512-Q515 WeakPolarHBondContact O-CA 3.48Å; I512-Q515 WeakPolarHBondContact O-CB 3.36Å; I512-Q515 PolarHBondContact O-N 3.17Å; S513-Q515 VanDerWaalsContact C-N 3.31Å; Q515-E517 PolarHBondContact O-N 2.89Å; Q515-S518 WeakPolarHBondContact O-CB 3.48Å; Q515-S518 PolarHBondContact O-N 3.48Å; Q515-K519 WeakPolarHBondContact O-CG 3.5Å; Q515-K519 PolarHBondContact O-N 3.29Å
516	L	85.8	Confident	75.6	Confident	2 Å²	2	54 Å²	54	1%	0.01	30%	0.301	C	S	.	.	H	α-helix	trans	-60.8	-42.8	176.6	-64	174.3	0	0	0	111.8	I512 S513 S518 K519 G520 L556 A559 V560 V604	I512-L516 WeakPolarHBondContact O-CG 3.42Å; I512-L516 PolarHBondContact O-N 3.18Å; S513-L516 PolarHBondContact O-N 3.44Å; L516-S518 VanDerWaalsContact C-N 3.33Å; L516-S518 PolarHBondContact O-N 3.03Å; L516-K519 PolarHBondContact O-N 3.41Å; L516-G520 PolarHBondContact O-N 3.05Å; L516-L556 HydrophobicContact CB-CD2 4.41Å; L516-L556 HydrophobicContact CD2-CD2 3.8Å; L516-A559 HydrophobicContact CD1-CB 3.96Å; L516-A559 HydrophobicContact CD2-CB 4.01Å; L516-V560 HydrophobicContact CB-CG2 3.9Å; L516-V560 HydrophobicContact CD1-CG2 3.95Å; L516-V604 HydrophobicContact CD2-CG2 3.57Å
517	E	82.9	Confident	77.3	Confident	109 Å²	109	48.2 Å²	48.2	51%	0.509	27%	0.273	S	S	.	.	H	α-helix	trans	-61.8	-41.4	175.5	-165.9	-167	151.5	0	0	111.7	S513 Q515 G520 K521	S513-E517 PolarHBondContact O-N 2.89Å; Q515-E517 PolarHBondContact O-N 2.89Å; E517-G520 PolarHBondContact O-N 3.03Å; E517-K521 WeakPolarHBondContact O-CG 3.33Å; E517-K521 PolarHBondContact O-N 2.9Å; E517-K521 WeakPolarHBondContact OE1-CE 3.4Å; E517-K521 IonicContact OE1-NZ 3.22Å; E517-K521 PolarHBondContact OE1-NZ 2.85Å
518	S	80.3	Confident	78.1	Confident	3 Å²	3	46.3 Å²	46.3	2%	0.021	26%	0.26	C	S	.	.	H	α-helix	trans	-65.7	-41.1	177.2	-60	0	0	0	0	112	A514 Q515 L516 G520 K521 A522	A514-S518 WeakPolarHBondContact O-CB 3.38Å; A514-S518 PolarHBondContact O-N 3.45Å; A514-S518 PolarHBondContact O-OG 3.09Å; Q515-S518 WeakPolarHBondContact O-CB 3.48Å; Q515-S518 PolarHBondContact O-N 3.48Å; L516-S518 VanDerWaalsContact C-N 3.33Å; L516-S518 PolarHBondContact O-N 3.03Å; S518-G520 VanDerWaalsContact C-N 3.31Å; S518-G520 PolarHBondContact O-N 3.44Å; S518-K521 PolarHBondContact O-N 3.45Å; S518-A522 WeakPolarHBondContact O-CB 2.97Å; S518-A522 PolarHBondContact O-N 2.83Å
519	K	86.8	Confident	79.1	Confident	1 Å²	1	40.6 Å²	40.6	0%	0.004	22%	0.22	C	C	.	.	H	α-helix	trans	-63	-37.6	172.8	-69.8	178.9	175.7	-179.1	0	111.4	I492 L493 T495 D496 V499 Q515 L516 A522 L523 L556 Q602 V604	I492-K519 WeakPolarHBondContact O-CG 3.1Å; L493-K519 WeakPolarHBondContact O-CD 3.28Å; L493-K519 WeakPolarHBondContact O-CE 3.21Å; L493-K519 PolarHBondContact O-NZ 3.27Å; T495-K519 WeakPolarHBondContact O-CE 3.26Å; D496-K519 IonicContact OD1-NZ 3.43Å; V499-K519 HydrophobicContact CG2-CG 3.99Å; Q515-K519 WeakPolarHBondContact O-CG 3.5Å; Q515-K519 PolarHBondContact O-N 3.29Å; L516-K519 PolarHBondContact O-N 3.41Å; K519-A522 WeakPolarHBondContact O-CB 3.44Å; K519-A522 PolarHBondContact O-N 2.89Å; K519-L523 PolarHBondContact O-N 3.38Å; K519-L556 HydrophobicContact CB-CD1 4.15Å; K519-L556 HydrophobicContact CB-CD2 3.92Å; K519-Q602 PolarHBondContact NZ-O 3.13Å; K519-V604 HydrophobicContact CD-CG2 4.31Å
520	G	84.2	Confident	79.9	Confident	12 Å²	12	33.9 Å²	33.9	12%	0.124	18%	0.184	C	C	.	.	H	α-helix	trans	-60.5	-50.5	173.5	0	0	0	0	0	112.2	L516 E517 S518 A522 L523 E524	L516-G520 PolarHBondContact O-N 3.05Å; E517-G520 PolarHBondContact O-N 3.03Å; S518-G520 VanDerWaalsContact C-N 3.31Å; S518-G520 PolarHBondContact O-N 3.44Å; G520-A522 VanDerWaalsContact C-N 3.3Å; G520-A522 PolarHBondContact O-N 2.98Å; G520-L523 PolarHBondContact O-N 2.96Å; G520-L523 VanDerWaalsContact O-N 3.12Å; G520-E524 PolarHBondContact O-N 3.4Å
521	K	80	Confident	79.9	Confident	71 Å²	71	35 Å²	35	31%	0.309	19%	0.191	S	C	.	.	H	α-helix	trans	-59.2	-40.6	175.2	-69.9	172.8	-174.3	166.5	0	112.2	F502 E517 S518 L523 E524 I525	F502-K521 HydrophobicContact CB-CB 4.25Å; F502-K521 HydrophobicContact CB-CD 4.33Å; F502-K521 HydrophobicContact CD1-CB 4.4Å; F502-K521 HydrophobicContact CG-CB 4.16Å; E517-K521 WeakPolarHBondContact O-CG 3.33Å; E517-K521 PolarHBondContact O-N 2.9Å; E517-K521 WeakPolarHBondContact OE1-CE 3.4Å; E517-K521 IonicContact OE1-NZ 3.22Å; E517-K521 PolarHBondContact OE1-NZ 2.85Å; S518-K521 PolarHBondContact O-N 3.45Å; K521-L523 VanDerWaalsContact C-N 3.35Å; K521-L523 PolarHBondContact O-N 3.18Å; K521-E524 PolarHBondContact O-N 2.8Å; K521-I525 WeakPolarHBondContact O-CG1 3.45Å; K521-I525 PolarHBondContact O-N 2.94Å
522	A	80.3	Confident	79.3	Confident	0 Å²	0	31.7 Å²	31.7	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-61.3	-42	175.5	0	0	0	0	0	112.1	I492 F498 F502 S518 K519 G520 F526	I492-A522 HydrophobicContact CG2-CB 3.68Å; F498-A522 HydrophobicContact CB-CB 3.94Å; F498-A522 HydrophobicContact CG-CB 4.44Å; F502-A522 HydrophobicContact CD2-CB 3.86Å; F502-A522 HydrophobicContact CE2-CB 3.56Å; S518-A522 WeakPolarHBondContact O-CB 2.97Å; S518-A522 PolarHBondContact O-N 2.83Å; K519-A522 WeakPolarHBondContact O-CB 3.44Å; K519-A522 PolarHBondContact O-N 2.89Å; G520-A522 VanDerWaalsContact C-N 3.3Å; G520-A522 PolarHBondContact O-N 2.98Å; A522-F526 VanDerWaalsContact O-CB 3.22Å; A522-F526 WeakPolarHBondContact O-CB 3.35Å; A522-F526 PolarHBondContact O-N 3.24Å
523	L	85.4	Confident	78.9	Confident	0 Å²	0	30.5 Å²	30.5	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-67.8	-37.5	175.7	-76.6	179.4	0	0	0	113.1	C489 I492 L493 K519 G520 K521 F526 S527 V549 C552 L553 L556	C489-L523 HydrophobicContact CB-CD2 4.49Å; I492-L523 HydrophobicContact CB-CD2 4.23Å; I492-L523 HydrophobicContact CD1-CD2 4.13Å; I492-L523 HydrophobicContact CG2-CD2 3.92Å; I492-L523 HydrophobicContact CG2-CG 3.87Å; L493-L523 HydrophobicContact CD2-CD1 3.92Å; K519-L523 PolarHBondContact O-N 3.38Å; G520-L523 PolarHBondContact O-N 2.96Å; G520-L523 VanDerWaalsContact O-N 3.12Å; K521-L523 VanDerWaalsContact C-N 3.35Å; K521-L523 PolarHBondContact O-N 3.18Å; L523-F526 CarbonylContact O-C 3.33Å; L523-F526 PolarHBondContact O-N 2.85Å; L523-S527 PolarHBondContact O-N 3.48Å; L523-V549 HydrophobicContact CB-CG1 4.24Å; L523-C552 HydrophobicContact CD1-CB 3.51Å; L523-C552 HydrophobicContact CD2-CB 4.2Å; L523-L553 HydrophobicContact CB-CD2 3.91Å; L523-L553 HydrophobicContact CB-CG 4.36Å; L523-L553 HydrophobicContact CD1-CD2 4.1Å; L523-L553 HydrophobicContact CD1-CG 4.31Å; L523-L556 HydrophobicContact CD1-CD1 3.53Å; L523-L556 HydrophobicContact CG-CD1 4.47Å
524	E	81.1	Confident	78.3	Confident	98 Å²	98	27.5 Å²	27.5	46%	0.458	14%	0.144	S	C	.	.	H	α-helix	trans	-61.1	-47.7	174.7	-71.8	-176.7	176.4	0	0	111.1	G520 K521 F526 S527 E528	G520-E524 PolarHBondContact O-N 3.4Å; K521-E524 PolarHBondContact O-N 2.8Å; E524-F526 VanDerWaalsContact C-N 3.3Å; E524-F526 PolarHBondContact O-N 2.95Å; E524-S527 WeakPolarHBondContact O-CB 3.49Å; E524-S527 PolarHBondContact O-N 3.26Å; E524-S527 VanDerWaalsContact O-N 3.16Å; E524-E528 PolarHBondContact O-N 3.48Å; E524-E528 VanDerWaalsContact O-N 3.15Å
525	I	75.3	Confident	77.4	Confident	44 Å²	44	28 Å²	28	23%	0.226	14%	0.141	C	C	.	.	H	α-helix	trans	-67.6	-34.4	176.4	-64.2	164.9	0	0	0	110.9	F453 F456 L457 F502 K521 S527 E528 F529	F453-I525 HydrophobicContact CE2-CG2 4.29Å; F456-I525 HydrophobicContact CE1-CG2 3.95Å; L457-I525 HydrophobicContact CD2-CG2 3.59Å; F502-I525 HydrophobicContact CD1-CD1 4.14Å; F502-I525 HydrophobicContact CE1-CD1 3.21Å; F502-I525 HydrophobicContact CZ-CD1 3.47Å; F502-I525 VanDerWaalsContact CZ-CD1 3.47Å; K521-I525 WeakPolarHBondContact O-CG1 3.45Å; K521-I525 PolarHBondContact O-N 2.94Å; I525-S527 VanDerWaalsContact C-N 3.31Å; I525-S527 PolarHBondContact O-N 3.43Å; I525-E528 WeakPolarHBondContact O-CB 3.13Å; I525-E528 PolarHBondContact O-N 3.1Å; I525-F529 PolarHBondContact O-N 3.2Å
526	F	84.6	Confident	76.6	Confident	0 Å²	0	29.8 Å²	29.8	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-65	-36.1	173	-175.1	-119.9	0	0	0	112.1	F449 F453 A485 M488 C489 I492 A522 L523 E524 E528 F529 L530 V549	F449-F526 AromaticContact CE1-CE2 3.89Å; F449-F526 HydrophobicContact CE1-CE2 3.89Å; F449-F526 AromaticContact CE1-CZ 3.81Å; F449-F526 HydrophobicContact CE1-CZ 3.81Å; F449-F526 AromaticContact CZ-CE2 3.95Å; F449-F526 HydrophobicContact CZ-CE2 3.95Å; F449-F526 AromaticContact CZ-CZ 3.86Å; F449-F526 HydrophobicContact CZ-CZ 3.86Å; F453-F526 AromaticContact CD2-CD2 3.83Å; F453-F526 HydrophobicContact CD2-CD2 3.83Å; F453-F526 HydrophobicContact CE2-CB 4.02Å; F453-F526 AromaticContact CE2-CD2 3.81Å; F453-F526 HydrophobicContact CE2-CD2 3.81Å; F453-F526 HydrophobicContact CE2-CG 4.43Å; F453-F526 HydrophobicContact CG-CD2 4.22Å; F453-F526 HydrophobicContact CZ-CB 3.96Å; F453-F526 HydrophobicContact CZ-CD2 4.16Å; A485-F526 HydrophobicContact CB-CZ 4.32Å; M488-F526 HydrophobicContact CB-CE1 4.19Å; M488-F526 HydrophobicContact CB-CE2 4.05Å; M488-F526 HydrophobicContact CB-CZ 3.61Å; M488-F526 HydrophobicContact CG-CD2 4.1Å; M488-F526 HydrophobicContact CG-CE1 4.23Å; M488-F526 HydrophobicContact CG-CE2 3.49Å; M488-F526 VanDerWaalsContact CG-CE2 3.49Å; M488-F526 HydrophobicContact CG-CZ 3.57Å; C489-F526 VanDerWaalsContact SG-CE1 3.58Å; I492-F526 HydrophobicContact CD1-CB 3.82Å; I492-F526 HydrophobicContact CD1-CD1 4.03Å; I492-F526 HydrophobicContact CD1-CD2 4.26Å; I492-F526 HydrophobicContact CD1-CG 3.77Å; A522-F526 VanDerWaalsContact O-CB 3.22Å; A522-F526 WeakPolarHBondContact O-CB 3.35Å; A522-F526 PolarHBondContact O-N 3.24Å; L523-F526 CarbonylContact O-C 3.33Å; L523-F526 PolarHBondContact O-N 2.85Å; E524-F526 VanDerWaalsContact C-N 3.3Å; E524-F526 PolarHBondContact O-N 2.95Å; F526-E528 VanDerWaalsContact C-N 3.3Å; F526-E528 PolarHBondContact O-N 2.93Å; F526-F529 HydrophobicContact CD2-CB 4.47Å; F526-F529 AromaticContact CD2-CD1 3.74Å; F526-F529 HydrophobicContact CD2-CD1 3.74Å; F526-F529 HydrophobicContact CD2-CE1 4.42Å; F526-F529 HydrophobicContact CD2-CG 4.42Å; F526-F529 AromaticContact CE2-CD1 3.54Å; F526-F529 HydrophobicContact CE2-CD1 3.54Å; F526-F529 AromaticContact CE2-CE1 3.82Å; F526-F529 HydrophobicContact CE2-CE1 3.82Å; F526-F529 WeakPolarHBondContact O-CB 3.47Å; F526-F529 PolarHBondContact O-N 2.93Å; F526-L530 HydrophobicContact CD1-CD1 3.92Å; F526-L530 HydrophobicContact CD1-CG 4.27Å; F526-L530 HydrophobicContact CD2-CG 4.47Å; F526-L530 HydrophobicContact CE1-CD1 3.46Å; F526-L530 VanDerWaalsContact CE1-CD1 3.46Å; F526-L530 HydrophobicContact CE1-CD2 4.31Å; F526-L530 HydrophobicContact CE1-CG 3.89Å; F526-L530 HydrophobicContact CE2-CD2 4.12Å; F526-L530 HydrophobicContact CE2-CG 4.06Å; F526-L530 HydrophobicContact CZ-CD1 3.79Å; F526-L530 HydrophobicContact CZ-CD2 3.75Å; F526-L530 HydrophobicContact CZ-CG 3.75Å; F526-L530 WeakPolarHBondContact O-CB 3.07Å; F526-L530 WeakPolarHBondContact O-CG 3.48Å; F526-L530 PolarHBondContact O-N 3.02Å; F526-V549 HydrophobicContact CD1-CG2 4.11Å
527	S	79.9	Confident	75.8	Confident	25 Å²	25	31.7 Å²	31.7	18%	0.175	16%	0.155	C	C	.	.	H	α-helix	trans	-57.8	-44.5	170.4	-159.3	0	0	0	0	111.1	L523 E524 I525 L530 N531	L523-S527 PolarHBondContact O-N 3.48Å; E524-S527 WeakPolarHBondContact O-CB 3.49Å; E524-S527 PolarHBondContact O-N 3.26Å; E524-S527 VanDerWaalsContact O-N 3.16Å; I525-S527 VanDerWaalsContact C-N 3.31Å; I525-S527 PolarHBondContact O-N 3.43Å; S527-L530 PolarHBondContact O-N 3.05Å; S527-N531 VanDerWaalsContact O-CG 3.24Å; S527-N531 PolarHBondContact O-N 2.99Å; S527-N531 PolarHBondContact O-ND2 3.11Å
528	E	67.1	Low	74.8	Confident	90 Å²	90	31.9 Å²	31.9	42%	0.421	15%	0.154	S	C	.	.	H	α-helix	trans	-63.6	-45.1	176.1	-63.9	-178.5	176.8	0	0	111.9	E524 I525 F526 L530 N531 G532	E524-E528 PolarHBondContact O-N 3.48Å; E524-E528 VanDerWaalsContact O-N 3.15Å; I525-E528 WeakPolarHBondContact O-CB 3.13Å; I525-E528 PolarHBondContact O-N 3.1Å; F526-E528 VanDerWaalsContact C-N 3.3Å; F526-E528 PolarHBondContact O-N 2.93Å; E528-L530 VanDerWaalsContact C-N 3.31Å; E528-L530 PolarHBondContact O-N 3.05Å; E528-N531 WeakPolarHBondContact O-CB 3.46Å; E528-N531 PolarHBondContact O-N 2.89Å; E528-G532 PolarHBondContact O-N 3.2Å; E528-G532 VanDerWaalsContact O-N 3.1Å
529	F	76.3	Confident	73.9	Confident	0 Å²	0	34.1 Å²	34.1	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-57.2	-44.1	172.4	165.8	-92.3	0	0	0	111.4	F449 A452 F453 F456 Y464 I525 F526 N531 G532 F533	F449-F529 HydrophobicContact CD2-CE1 4.45Å; F449-F529 HydrophobicContact CD2-CZ 4.45Å; F449-F529 HydrophobicContact CE1-CE1 4.3Å; F449-F529 AromaticContact CE2-CE1 3.67Å; F449-F529 HydrophobicContact CE2-CE1 3.67Å; F449-F529 HydrophobicContact CE2-CZ 4.07Å; F449-F529 AromaticContact CZ-CE1 3.6Å; F449-F529 HydrophobicContact CZ-CE1 3.6Å; F449-F529 HydrophobicContact CZ-CZ 4.35Å; A452-F529 HydrophobicContact CB-CE2 4.23Å; A452-F529 HydrophobicContact CB-CZ 4.29Å; F453-F529 HydrophobicContact CB-CD2 4.38Å; F453-F529 HydrophobicContact CB-CE1 4.49Å; F453-F529 HydrophobicContact CB-CE2 4.13Å; F453-F529 HydrophobicContact CB-CZ 4.21Å; F453-F529 HydrophobicContact CD2-CB 3.72Å; F453-F529 HydrophobicContact CD2-CD1 4.04Å; F453-F529 AromaticContact CD2-CD2 3.86Å; F453-F529 HydrophobicContact CD2-CD2 3.86Å; F453-F529 HydrophobicContact CD2-CE2 4.44Å; F453-F529 AromaticContact CD2-CG 3.61Å; F453-F529 HydrophobicContact CD2-CG 3.61Å; F453-F529 HydrophobicContact CE2-CB 3.9Å; F453-F529 HydrophobicContact CE2-CG 4.3Å; F456-F529 HydrophobicContact CB-CD2 3.79Å; F456-F529 HydrophobicContact CB-CE2 4.3Å; F456-F529 HydrophobicContact CD1-CB 3.86Å; F456-F529 HydrophobicContact CD1-CD2 4.05Å; F456-F529 HydrophobicContact CD1-CG 4.42Å; F456-F529 HydrophobicContact CD2-CD2 4.18Å; F456-F529 HydrophobicContact CE1-CB 3.81Å; F456-F529 HydrophobicContact CG-CB 4.34Å; F456-F529 AromaticContact CG-CD2 3.75Å; F456-F529 HydrophobicContact CG-CD2 3.75Å; F456-F529 HydrophobicContact CZ-CB 4.25Å; Y464-F529 HydrophobicContact CE2-CD2 4.19Å; Y464-F529 AromaticContact CE2-CE2 3.8Å; Y464-F529 HydrophobicContact CE2-CE2 3.8Å; I525-F529 PolarHBondContact O-N 3.2Å; F526-F529 HydrophobicContact CD2-CB 4.47Å; F526-F529 AromaticContact CD2-CD1 3.74Å; F526-F529 HydrophobicContact CD2-CD1 3.74Å; F526-F529 HydrophobicContact CD2-CE1 4.42Å; F526-F529 HydrophobicContact CD2-CG 4.42Å; F526-F529 AromaticContact CE2-CD1 3.54Å; F526-F529 HydrophobicContact CE2-CD1 3.54Å; F526-F529 AromaticContact CE2-CE1 3.82Å; F526-F529 HydrophobicContact CE2-CE1 3.82Å; F526-F529 WeakPolarHBondContact O-CB 3.47Å; F526-F529 PolarHBondContact O-N 2.93Å; F529-N531 VanDerWaalsContact C-N 3.35Å; F529-N531 PolarHBondContact O-N 2.95Å; F529-G532 CarbonylContact O-C 3.58Å; F529-G532 WeakPolarHBondContact O-CA 3.27Å; F529-G532 PolarHBondContact O-N 3.38Å; F529-G532 VanDerWaalsContact O-N 3.16Å; F529-F533 HydrophobicContact CE1-CB 4.21Å; F529-F533 HydrophobicContact CE1-CD2 4.2Å; F529-F533 HydrophobicContact CE1-CG 4.36Å; F529-F533 AromaticContact CZ-CD2 3.97Å; F529-F533 HydrophobicContact CZ-CD2 3.97Å; F529-F533 WeakPolarHBondContact O-CB 3.38Å; F529-F533 PolarHBondContact O-N 3.01Å
530	L	80.7	Confident	72.6	Confident	1 Å²	1	36.2 Å²	36.2	1%	0.005	19%	0.185	C	C	.	.	H	α-helix	trans	-67.4	-33.2	179.9	-75.4	-178.8	0	0	0	112.6	F449 A485 F526 S527 E528 G532 F533 A534 Y545 V549	F449-L530 HydrophobicContact CE2-CD2 4.46Å; F449-L530 HydrophobicContact CZ-CD2 3.89Å; A485-L530 HydrophobicContact CB-CD1 4.2Å; A485-L530 HydrophobicContact CB-CD2 3.96Å; F526-L530 HydrophobicContact CD1-CD1 3.92Å; F526-L530 HydrophobicContact CD1-CG 4.27Å; F526-L530 HydrophobicContact CD2-CG 4.47Å; F526-L530 HydrophobicContact CE1-CD1 3.46Å; F526-L530 VanDerWaalsContact CE1-CD1 3.46Å; F526-L530 HydrophobicContact CE1-CD2 4.31Å; F526-L530 HydrophobicContact CE1-CG 3.89Å; F526-L530 HydrophobicContact CE2-CD2 4.12Å; F526-L530 HydrophobicContact CE2-CG 4.06Å; F526-L530 HydrophobicContact CZ-CD1 3.79Å; F526-L530 HydrophobicContact CZ-CD2 3.75Å; F526-L530 HydrophobicContact CZ-CG 3.75Å; F526-L530 WeakPolarHBondContact O-CB 3.07Å; F526-L530 WeakPolarHBondContact O-CG 3.48Å; F526-L530 PolarHBondContact O-N 3.02Å; S527-L530 PolarHBondContact O-N 3.05Å; E528-L530 VanDerWaalsContact C-N 3.31Å; E528-L530 PolarHBondContact O-N 3.05Å; L530-G532 VanDerWaalsContact C-N 3.32Å; L530-F533 PolarHBondContact O-N 3.18Å; L530-A534 WeakPolarHBondContact O-CB 3.4Å; L530-A534 PolarHBondContact O-N 3.29Å; L530-Y545 HydrophobicContact CB-CD2 4.36Å; L530-Y545 HydrophobicContact CB-CG 4.23Å; L530-Y545 HydrophobicContact CD1-CD1 4.03Å; L530-Y545 HydrophobicContact CD1-CG 3.99Å; L530-Y545 HydrophobicContact CD2-CD1 4.08Å; L530-Y545 HydrophobicContact CD2-CD2 4.42Å; L530-Y545 HydrophobicContact CD2-CE1 4.28Å; L530-Y545 HydrophobicContact CD2-CG 4.17Å; L530-Y545 HydrophobicContact CG-CG 4.38Å; L530-V549 HydrophobicContact CD1-CG2 3.81Å
531	N	69.4	Low	72.1	Confident	57 Å²	57	35.9 Å²	35.9	31%	0.305	18%	0.181	S	C	.	.	H	α-helix	trans	-62.1	-43.9	170.9	-66.5	-35.6	0	0	0	110.6	S527 E528 F529 W535 L542	S527-N531 VanDerWaalsContact O-CG 3.24Å; S527-N531 PolarHBondContact O-N 2.99Å; S527-N531 PolarHBondContact O-ND2 3.11Å; E528-N531 WeakPolarHBondContact O-CB 3.46Å; E528-N531 PolarHBondContact O-N 2.89Å; F529-N531 VanDerWaalsContact C-N 3.35Å; F529-N531 PolarHBondContact O-N 2.95Å; N531-W535 PolarHBondContact O-N 3.31Å; N531-L542 HydrophobicContact CB-CD1 4.46Å; N531-L542 WeakPolarHBondContact OD1-CD1 3.4Å
532	G	63.4	Low	72	Confident	10 Å²	10	34.3 Å²	34.3	10%	0.103	18%	0.175	C	C	.	.	H	α-helix	trans	-58.5	-49.7	170.1	0	0	0	0	0	112.9	E528 F529 L530 A534 W535 R536	E528-G532 PolarHBondContact O-N 3.2Å; E528-G532 VanDerWaalsContact O-N 3.1Å; F529-G532 CarbonylContact O-C 3.58Å; F529-G532 WeakPolarHBondContact O-CA 3.27Å; F529-G532 PolarHBondContact O-N 3.38Å; F529-G532 VanDerWaalsContact O-N 3.16Å; L530-G532 VanDerWaalsContact C-N 3.32Å; G532-A534 PolarHBondContact O-N 3.09Å; G532-W535 VanDerWaalsContact C-CD1 3.43Å; G532-W535 VanDerWaalsContact CA-CD1 3.5Å; G532-W535 PolarHBondContact O-N 3.29Å; G532-W535 PolarHBondContact O-NE1 2.96Å; G532-W535 VanDerWaalsContact O-NE1 3.08Å; G532-R536 PolarHBondContact O-N 3.26Å
533	F	71.8	Confident	72	Confident	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-64.1	-43.8	-177.7	-172.9	-95.4	0	0	0	111.9	F449 L468 L471 L481 F529 L530 W535 R536 F537 Y545	F449-F533 HydrophobicContact CD2-CD2 4.25Å; F449-F533 HydrophobicContact CD2-CE1 4.4Å; F449-F533 AromaticContact CD2-CE2 3.57Å; F449-F533 HydrophobicContact CD2-CE2 3.57Å; F449-F533 AromaticContact CD2-CZ 3.66Å; F449-F533 HydrophobicContact CD2-CZ 3.66Å; F449-F533 HydrophobicContact CE2-CD1 4.12Å; F449-F533 AromaticContact CE2-CD2 3.86Å; F449-F533 HydrophobicContact CE2-CD2 3.86Å; F449-F533 AromaticContact CE2-CE1 3.84Å; F449-F533 HydrophobicContact CE2-CE1 3.84Å; F449-F533 AromaticContact CE2-CE2 3.55Å; F449-F533 HydrophobicContact CE2-CE2 3.55Å; F449-F533 HydrophobicContact CE2-CG 4.12Å; F449-F533 AromaticContact CE2-CZ 3.54Å; F449-F533 HydrophobicContact CE2-CZ 3.54Å; L468-F533 HydrophobicContact CD2-CD2 3.72Å; L468-F533 HydrophobicContact CD2-CE2 3.71Å; L471-F533 HydrophobicContact CD2-CE2 3.57Å; L471-F533 HydrophobicContact CD2-CZ 3.61Å; L481-F533 HydrophobicContact CB-CE1 4.37Å; L481-F533 HydrophobicContact CD2-CE1 3.93Å; L481-F533 HydrophobicContact CD2-CZ 3.78Å; F529-F533 HydrophobicContact CE1-CB 4.21Å; F529-F533 HydrophobicContact CE1-CD2 4.2Å; F529-F533 HydrophobicContact CE1-CG 4.36Å; F529-F533 AromaticContact CZ-CD2 3.97Å; F529-F533 HydrophobicContact CZ-CD2 3.97Å; F529-F533 WeakPolarHBondContact O-CB 3.38Å; F529-F533 PolarHBondContact O-N 3.01Å; L530-F533 PolarHBondContact O-N 3.18Å; F533-W535 VanDerWaalsContact C-N 3.29Å; F533-W535 PolarHBondContact O-N 3.11Å; F533-R536 WeakPolarHBondContact O-CB 3.45Å; F533-R536 PolarHBondContact O-N 3.42Å; F533-R536 VanDerWaalsContact O-N 3.11Å; F533-F537 AromaticContact CD1-CD2 3.97Å; F533-F537 HydrophobicContact CD1-CD2 3.97Å; F533-F537 HydrophobicContact CD1-CE2 4.47Å; F533-F537 HydrophobicContact CD2-CD2 4.05Å; F533-F537 AromaticContact CD2-CE2 3.83Å; F533-F537 HydrophobicContact CD2-CE2 3.83Å; F533-F537 AromaticContact CE1-CD2 3.64Å; F533-F537 HydrophobicContact CE1-CD2 3.64Å; F533-F537 AromaticContact CE1-CE2 3.97Å; F533-F537 HydrophobicContact CE1-CE2 3.97Å; F533-F537 HydrophobicContact CE1-CG 4.31Å; F533-F537 AromaticContact CE2-CD2 3.74Å; F533-F537 HydrophobicContact CE2-CD2 3.74Å; F533-F537 AromaticContact CE2-CE2 3.24Å; F533-F537 HydrophobicContact CE2-CE2 3.24Å; F533-F537 HydrophobicContact CE2-CZ 4.11Å; F533-F537 HydrophobicContact CG-CD2 4.16Å; F533-F537 HydrophobicContact CG-CE2 4.41Å; F533-F537 AromaticContact CZ-CD2 3.52Å; F533-F537 HydrophobicContact CZ-CD2 3.52Å; F533-F537 AromaticContact CZ-CE2 3.32Å; F533-F537 HydrophobicContact CZ-CE2 3.32Å; F533-F537 HydrophobicContact CZ-CG 4.37Å; F533-F537 HydrophobicContact CZ-CZ 4.01Å; F533-F537 WeakPolarHBondContact O-CD2 3.39Å; F533-F537 PolarHBondContact O-N 3.34Å; F533-F537 VanDerWaalsContact O-N 3.14Å; F533-Y545 HydrophobicContact CD1-CE2 4.25Å
534	A	68.9	Low	71.8	Confident	4 Å²	4	37.4 Å²	37.4	3%	0.033	19%	0.191	C	C	.	.	H	α-helix	trans	-57.1	-44.3	178.4	0	0	0	0	0	110.7	L530 G532 R536 F537 K538 A539 L542 Y545	L530-A534 WeakPolarHBondContact O-CB 3.4Å; L530-A534 PolarHBondContact O-N 3.29Å; G532-A534 PolarHBondContact O-N 3.09Å; A534-R536 VanDerWaalsContact C-N 3.32Å; A534-R536 PolarHBondContact O-N 3.32Å; A534-F537 CarbonylContact O-C 3.59Å; A534-F537 PolarHBondContact O-N 3.14Å; A534-K538 PolarHBondContact O-N 2.99Å; A534-A539 WeakPolarHBondContact O-CA 3.21Å; A534-A539 PolarHBondContact O-N 3.4Å; A534-L542 HydrophobicContact CB-CB 4.25Å; A534-L542 HydrophobicContact CB-CD1 3.92Å; A534-Y545 HydrophobicContact CB-CD2 4.03Å; A534-Y545 HydrophobicContact CB-CE2 4.07Å
535	W	60	Low	71.9	Confident	36 Å²	36	33 Å²	33	14%	0.136	17%	0.17	C	C	.	.	H	α-helix	trans	-58.7	-46.4	177.5	89.6	-119.2	0	0	0	111.3	Q307 P341 N531 G532 F533 F537 K538	Q307-W535 HydrophobicContact CG-CE3 4Å; Q307-W535 HydrophobicContact CG-CZ3 3.96Å; Q307-W535 VanDerWaalsContact NE2-CG 3.28Å; P341-W535 HydrophobicContact CB-CH2 3.6Å; P341-W535 HydrophobicContact CB-CZ2 3.55Å; P341-W535 WeakPolarHBondContact O-CZ2 3.42Å; P341-W535 PolarHBondContact O-NE1 2.96Å; N531-W535 PolarHBondContact O-N 3.31Å; G532-W535 VanDerWaalsContact C-CD1 3.43Å; G532-W535 VanDerWaalsContact CA-CD1 3.5Å; G532-W535 PolarHBondContact O-N 3.29Å; G532-W535 PolarHBondContact O-NE1 2.96Å; G532-W535 VanDerWaalsContact O-NE1 3.08Å; F533-W535 VanDerWaalsContact C-N 3.29Å; F533-W535 PolarHBondContact O-N 3.11Å; W535-F537 PolarHBondContact O-N 3.48Å; W535-K538 PolarHBondContact O-N 2.99Å
536	R	63.5	Low	72.3	Confident	62 Å²	62	34.8 Å²	34.8	23%	0.234	18%	0.176	C	C	.	.	H	α-helix	trans	-60.4	-32.7	-177.6	-177.2	69.9	179.6	77.9	-0.4	112	L468 D469 G532 F533 A534	L468-R536 HydrophobicContact CD1-CG 4.24Å; D469-R536 IonicContact OD1-CZ 3.45Å; D469-R536 IonicContact OD1-NH2 3.01Å; D469-R536 PolarHBondContact OD1-NH2 3.1Å; G532-R536 PolarHBondContact O-N 3.26Å; F533-R536 WeakPolarHBondContact O-CB 3.45Å; F533-R536 PolarHBondContact O-N 3.42Å; F533-R536 VanDerWaalsContact O-N 3.11Å; A534-R536 VanDerWaalsContact C-N 3.32Å; A534-R536 PolarHBondContact O-N 3.32Å
537	F	70.1	Confident	72.3	Confident	42 Å²	42	36 Å²	36	18%	0.184	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103	21.2	179.9	-68.4	-87.4	0	0	0	114	L468 L471 A472 L481 F533 A534 W535	L468-F537 HydrophobicContact CD2-CE2 4.33Å; L471-F537 HydrophobicContact CD2-CZ 4.19Å; L471-F537 HydrophobicContact CG-CZ 4.49Å; A472-F537 HydrophobicContact CB-CE1 3.96Å; A472-F537 HydrophobicContact CB-CZ 4.21Å; L481-F537 HydrophobicContact CD1-CB 3.95Å; L481-F537 HydrophobicContact CD1-CD1 3.9Å; L481-F537 HydrophobicContact CD1-CG 4Å; L481-F537 HydrophobicContact CD2-CD1 4.2Å; L481-F537 HydrophobicContact CD2-CE1 4.23Å; F533-F537 AromaticContact CD1-CD2 3.97Å; F533-F537 HydrophobicContact CD1-CD2 3.97Å; F533-F537 HydrophobicContact CD1-CE2 4.47Å; F533-F537 HydrophobicContact CD2-CD2 4.05Å; F533-F537 AromaticContact CD2-CE2 3.83Å; F533-F537 HydrophobicContact CD2-CE2 3.83Å; F533-F537 AromaticContact CE1-CD2 3.64Å; F533-F537 HydrophobicContact CE1-CD2 3.64Å; F533-F537 AromaticContact CE1-CE2 3.97Å; F533-F537 HydrophobicContact CE1-CE2 3.97Å; F533-F537 HydrophobicContact CE1-CG 4.31Å; F533-F537 AromaticContact CE2-CD2 3.74Å; F533-F537 HydrophobicContact CE2-CD2 3.74Å; F533-F537 AromaticContact CE2-CE2 3.24Å; F533-F537 HydrophobicContact CE2-CE2 3.24Å; F533-F537 HydrophobicContact CE2-CZ 4.11Å; F533-F537 HydrophobicContact CG-CD2 4.16Å; F533-F537 HydrophobicContact CG-CE2 4.41Å; F533-F537 AromaticContact CZ-CD2 3.52Å; F533-F537 HydrophobicContact CZ-CD2 3.52Å; F533-F537 AromaticContact CZ-CE2 3.32Å; F533-F537 HydrophobicContact CZ-CE2 3.32Å; F533-F537 HydrophobicContact CZ-CG 4.37Å; F533-F537 HydrophobicContact CZ-CZ 4.01Å; F533-F537 WeakPolarHBondContact O-CD2 3.39Å; F533-F537 PolarHBondContact O-N 3.34Å; F533-F537 VanDerWaalsContact O-N 3.14Å; A534-F537 CarbonylContact O-C 3.59Å; A534-F537 PolarHBondContact O-N 3.14Å; W535-F537 PolarHBondContact O-N 3.48Å
538	K	62.5	Low	72.6	Confident	114 Å²	114	36.1 Å²	36.1	50%	0.496	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	71.5	45.7	174.4	-51.4	-178.1	177	-176.9	0	116.5	A534 W535 T540	A534-K538 PolarHBondContact O-N 2.99Å; W535-K538 PolarHBondContact O-N 2.99Å; K538-T540 VanDerWaalsContact O-CG2 3.29Å; K538-T540 WeakPolarHBondContact O-CG2 3.12Å; K538-T540 PolarHBondContact O-N 3.27Å
539	A	60.4	Low	73.6	Confident	49 Å²	49	31.8 Å²	31.8	41%	0.405	16%	0.161	S	C	.	.	S	Bend	trans	52.8	-5.6	164.2	0	0	0	0	0	119.2	A534 N541 L542	A534-A539 WeakPolarHBondContact O-CA 3.21Å; A534-A539 PolarHBondContact O-N 3.4Å; A539-N541 VanDerWaalsContact C-N 3.29Å; A539-N541 PolarHBondContact O-N 2.66Å; A539-L542 WeakPolarHBondContact O-CB 3.33Å; A539-L542 PolarHBondContact O-N 3.29Å
540	T	60.2	Low	74.1	Confident	46 Å²	46	32.8 Å²	32.8	28%	0.282	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-29.4	-167.5	60.6	0	0	0	0	114.3	K538	K538-T540 VanDerWaalsContact O-CG2 3.29Å; K538-T540 WeakPolarHBondContact O-CG2 3.12Å; K538-T540 PolarHBondContact O-N 3.27Å
541	N	74.1	Confident	74.4	Confident	5 Å²	5	33.9 Å²	33.9	3%	0.027	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.2	10.3	-175.1	-58.7	-4.3	0	0	0	112.6	R478 V482 A539 H543 T544 Y545	R478-N541 PolarHBondContact O-ND2 2.86Å; V482-N541 HydrophobicContact CG2-CB 4.19Å; V482-N541 WeakPolarHBondContact CG2-ND2 3.48Å; A539-N541 VanDerWaalsContact C-N 3.29Å; A539-N541 PolarHBondContact O-N 2.66Å; N541-H543 PolarHBondContact O-N 2.85Å; N541-T544 WeakPolarHBondContact O-CB 3.48Å; N541-T544 PolarHBondContact O-N 2.87Å; N541-Y545 HydrophobicContact CB-CD2 4.04Å; N541-Y545 HydrophobicContact CB-CE1 4.23Å; N541-Y545 HydrophobicContact CB-CE2 3.53Å; N541-Y545 PolarHBondContact ND2-OH 2.96Å; N541-Y545 WeakPolarHBondContact O-CD2 3.18Å; N541-Y545 VanDerWaalsContact O-CG 3.28Å; N541-Y545 PolarHBondContact O-N 3.31Å
542	L	77.2	Confident	75.4	Confident	37 Å²	37	31.2 Å²	31.2	19%	0.194	16%	0.161	C	C	.	.	H	α-helix	trans	-58.3	-48	-172.3	-178.5	65.8	0	0	0	112.2	N531 A534 A539 T544 Y545 K546	N531-L542 HydrophobicContact CB-CD1 4.46Å; N531-L542 WeakPolarHBondContact OD1-CD1 3.4Å; A534-L542 HydrophobicContact CB-CB 4.25Å; A534-L542 HydrophobicContact CB-CD1 3.92Å; A539-L542 WeakPolarHBondContact O-CB 3.33Å; A539-L542 PolarHBondContact O-N 3.29Å; L542-T544 VanDerWaalsContact C-N 3.33Å; L542-T544 PolarHBondContact O-N 3.31Å; L542-Y545 PolarHBondContact O-N 3Å; L542-K546 WeakPolarHBondContact O-CG 3.47Å; L542-K546 PolarHBondContact O-N 3.42Å
543	H	79.5	Confident	76.7	Confident	55 Å²	55	32.9 Å²	32.9	26%	0.255	17%	0.167	S	C	.	.	H	α-helix	trans	-61.4	-44.2	177.3	-63.9	113.2	0	0	0	111.1	N541 Y545 K546 L547 V659 E662	N541-H543 PolarHBondContact O-N 2.85Å; H543-Y545 VanDerWaalsContact C-N 3.33Å; H543-Y545 PolarHBondContact O-N 3.28Å; H543-K546 PolarHBondContact O-N 2.76Å; H543-L547 PolarHBondContact O-N 3.45Å; H543-V659 HydrophobicContact CB-CB 4.37Å; H543-V659 HydrophobicContact CB-CG2 3.84Å; H543-V659 WeakPolarHBondContact O-CG2 3.26Å; H543-E662 IonicContact CE1-OE2 3.32Å; H543-E662 PolarHBondContact CE1-OE2 2.93Å; H543-E662 IonicContact CG-OE2 2.68Å; H543-E662 IonicContact ND1-OE2 3.76Å; H543-E662 PolarHBondContact ND1-OE2 2.77Å; H543-E662 IonicContact NE2-OE2 3.6Å
544	T	81.6	Confident	77.5	Confident	11 Å²	11	33 Å²	33	7%	0.067	17%	0.168	C	C	.	.	H	α-helix	trans	-58.2	-42.2	176.2	-49.5	0	0	0	0	112.7	V482 N541 L542 L548 D663 L666	V482-T544 HydrophobicContact CG1-CG2 3.77Å; V482-T544 HydrophobicContact CG2-CG2 4.04Å; N541-T544 WeakPolarHBondContact O-CB 3.48Å; N541-T544 PolarHBondContact O-N 2.87Å; L542-T544 VanDerWaalsContact C-N 3.33Å; L542-T544 PolarHBondContact O-N 3.31Å; T544-L548 WeakPolarHBondContact O-CB 3.19Å; T544-L548 PolarHBondContact O-N 2.95Å; T544-D663 PolarHBondContact OG1-OD2 3.3Å; T544-L666 HydrophobicContact CG2-CD1 3.73Å; T544-L666 HydrophobicContact CG2-CD2 4.18Å; T544-L666 VanDerWaalsContact OG1-CD1 3.31Å; T544-L666 WeakPolarHBondContact OG1-CD1 3.2Å
545	Y	82.7	Confident	78.5	Confident	4 Å²	4	32.9 Å²	32.9	2%	0.016	17%	0.167	C	C	.	.	H	α-helix	trans	-65.7	-43.1	175.6	-69.6	-36.1	0	0	0	112.6	L481 V482 A485 L530 F533 A534 N541 L542 H543 L548 V549	L481-Y545 VanDerWaalsContact CB-OH 3.31Å; L481-Y545 WeakPolarHBondContact CB-OH 3.2Å; V482-Y545 HydrophobicContact CG2-CE1 4.36Å; A485-Y545 HydrophobicContact CB-CD1 3.71Å; A485-Y545 HydrophobicContact CB-CE1 3.6Å; L530-Y545 HydrophobicContact CB-CD2 4.36Å; L530-Y545 HydrophobicContact CB-CG 4.23Å; L530-Y545 HydrophobicContact CD1-CD1 4.03Å; L530-Y545 HydrophobicContact CD1-CG 3.99Å; L530-Y545 HydrophobicContact CD2-CD1 4.08Å; L530-Y545 HydrophobicContact CD2-CD2 4.42Å; L530-Y545 HydrophobicContact CD2-CE1 4.28Å; L530-Y545 HydrophobicContact CD2-CG 4.17Å; L530-Y545 HydrophobicContact CG-CG 4.38Å; F533-Y545 HydrophobicContact CD1-CE2 4.25Å; A534-Y545 HydrophobicContact CB-CD2 4.03Å; A534-Y545 HydrophobicContact CB-CE2 4.07Å; N541-Y545 HydrophobicContact CB-CD2 4.04Å; N541-Y545 HydrophobicContact CB-CE1 4.23Å; N541-Y545 HydrophobicContact CB-CE2 3.53Å; N541-Y545 PolarHBondContact ND2-OH 2.96Å; N541-Y545 WeakPolarHBondContact O-CD2 3.18Å; N541-Y545 VanDerWaalsContact O-CG 3.28Å; N541-Y545 PolarHBondContact O-N 3.31Å; L542-Y545 PolarHBondContact O-N 3Å; H543-Y545 VanDerWaalsContact C-N 3.33Å; H543-Y545 PolarHBondContact O-N 3.28Å; Y545-L548 PolarHBondContact O-N 3.22Å; Y545-V549 WeakPolarHBondContact O-CG2 3.31Å; Y545-V549 PolarHBondContact O-N 3.47Å
546	K	83.8	Confident	79.9	Confident	82 Å²	82	31.6 Å²	31.6	36%	0.357	16%	0.163	S	C	.	.	H	α-helix	trans	-60.1	-53.4	175.7	-71.3	176.4	178.7	178.8	0	110.7	L542 H543 L548 V549 D550	L542-K546 WeakPolarHBondContact O-CG 3.47Å; L542-K546 PolarHBondContact O-N 3.42Å; H543-K546 PolarHBondContact O-N 2.76Å; K546-L548 VanDerWaalsContact C-N 3.26Å; K546-L548 PolarHBondContact O-N 3.47Å; K546-V549 PolarHBondContact O-N 3.01Å; K546-V549 VanDerWaalsContact O-N 3.1Å; K546-D550 VanDerWaalsContact C-OD2 3.28Å; K546-D550 WeakPolarHBondContact O-CB 3.4Å; K546-D550 PolarHBondContact O-N 2.91Å
547	L	84.9	Confident	81.1	Confident	27 Å²	27	33.3 Å²	33.3	14%	0.141	17%	0.174	C	C	.	.	H	α-helix	trans	-55.4	-41.8	178.7	-179	67.4	0	0	0	112.5	H543 D550 A551 L652 R655 A656 V659	H543-L547 PolarHBondContact O-N 3.45Å; L547-D550 PolarHBondContact O-N 3.3Å; L547-A551 WeakPolarHBondContact O-CB 3.33Å; L547-A551 PolarHBondContact O-N 3.41Å; L547-L652 HydrophobicContact CD1-CD2 3.71Å; L547-R655 HydrophobicContact CD1-CB 4.09Å; L547-A656 HydrophobicContact CD1-CB 4.36Å; L547-V659 HydrophobicContact CB-CG2 3.62Å; L547-V659 HydrophobicContact CD2-CB 3.99Å; L547-V659 HydrophobicContact CD2-CG1 4.02Å; L547-V659 HydrophobicContact CD2-CG2 3.84Å; L547-V659 HydrophobicContact CG-CG2 4.23Å
548	L	87.5	Confident	81.9	Confident	26 Å²	26	31.4 Å²	31.4	14%	0.136	17%	0.166	C	C	.	.	H	α-helix	trans	-61.4	-50.2	176.8	173.7	66.4	0	0	0	111.9	A485 Y486 T544 Y545 K546 D550 A551 C552	A485-L548 HydrophobicContact CB-CD2 3.8Å; Y486-L548 HydrophobicContact CD2-CD1 3.68Å; T544-L548 WeakPolarHBondContact O-CB 3.19Å; T544-L548 PolarHBondContact O-N 2.95Å; Y545-L548 PolarHBondContact O-N 3.22Å; K546-L548 VanDerWaalsContact C-N 3.26Å; K546-L548 PolarHBondContact O-N 3.47Å; L548-D550 VanDerWaalsContact C-N 3.32Å; L548-A551 PolarHBondContact O-N 3.1Å; L548-C552 PolarHBondContact O-N 3.01Å; L548-C552 VanDerWaalsContact O-N 3.13Å; L548-C552 PolarHBondContact O-SG 3.18Å; L548-C552 VanDerWaalsContact O-SG 3.39Å
549	V	88.1	Confident	83.2	Confident	0 Å²	0	26 Å²	26	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-64.8	-41	179.7	174.1	0	0	0	0	110.7	L523 F526 L530 Y545 K546 A551 C552 L553	L523-V549 HydrophobicContact CB-CG1 4.24Å; F526-V549 HydrophobicContact CD1-CG2 4.11Å; L530-V549 HydrophobicContact CD1-CG2 3.81Å; Y545-V549 WeakPolarHBondContact O-CG2 3.31Å; Y545-V549 PolarHBondContact O-N 3.47Å; K546-V549 PolarHBondContact O-N 3.01Å; K546-V549 VanDerWaalsContact O-N 3.1Å; V549-A551 VanDerWaalsContact C-N 3.35Å; V549-A551 PolarHBondContact O-N 3.4Å; V549-C552 CarbonylContact O-C 3.54Å; V549-C552 WeakPolarHBondContact O-CB 3.46Å; V549-C552 PolarHBondContact O-N 3.07Å; V549-C552 VanDerWaalsContact O-N 3.12Å; V549-L553 HydrophobicContact CG1-CD1 4.06Å; V549-L553 HydrophobicContact CG1-CG 4.29Å; V549-L553 WeakPolarHBondContact O-CG 3.5Å; V549-L553 PolarHBondContact O-N 2.94Å
550	D	86.3	Confident	84.5	Confident	20 Å²	20	26.5 Å²	26.5	11%	0.107	14%	0.14	C	C	.	.	H	α-helix	trans	-63.6	-39.2	178.3	-64.5	-46.8	0	0	0	112.3	K546 L547 L548 C552 L553 A554 L652 R655	K546-D550 VanDerWaalsContact C-OD2 3.28Å; K546-D550 WeakPolarHBondContact O-CB 3.4Å; K546-D550 PolarHBondContact O-N 2.91Å; L547-D550 PolarHBondContact O-N 3.3Å; L548-D550 VanDerWaalsContact C-N 3.32Å; D550-C552 VanDerWaalsContact C-N 3.3Å; D550-C552 PolarHBondContact O-N 3.28Å; D550-L553 PolarHBondContact O-N 2.67Å; D550-A554 WeakPolarHBondContact O-CB 3.48Å; D550-A554 PolarHBondContact O-N 2.88Å; D550-L652 HydrophobicContact CB-CD2 4.47Å; D550-R655 VanDerWaalsContact CG-CZ 3.48Å; D550-R655 IonicContact OD1-CZ 2.78Å; D550-R655 IonicContact OD1-NH1 3.98Å; D550-R655 PolarHBondContact OD1-NH1 3.01Å; D550-R655 IonicContact OD1-NH2 2.78Å; D550-R655 WeakPolarHBondContact OD2-CD 3.33Å; D550-R655 IonicContact OD2-CZ 3.5Å; D550-R655 IonicContact OD2-NE 3.77Å; D550-R655 PolarHBondContact OD2-NE 3.11Å; D550-R655 IonicContact OD2-NH1 2.73Å; D550-R655 PolarHBondContact OD2-NH1 3.37Å; D550-R655 IonicContact OD2-NH2 3.96Å
551	A	87.4	Confident	85.7	Confident	25 Å²	25	25.6 Å²	25.6	21%	0.207	13%	0.133	C	C	.	.	H	α-helix	trans	-63.3	-38	173	0	0	0	0	0	112	L547 L548 V549 L555 L652	L547-A551 WeakPolarHBondContact O-CB 3.33Å; L547-A551 PolarHBondContact O-N 3.41Å; L548-A551 PolarHBondContact O-N 3.1Å; V549-A551 VanDerWaalsContact C-N 3.35Å; V549-A551 PolarHBondContact O-N 3.4Å; A551-L555 WeakPolarHBondContact O-CG 3.22Å; A551-L555 PolarHBondContact O-N 2.78Å; A551-L555 VanDerWaalsContact O-N 3.09Å; A551-L652 HydrophobicContact CB-CD1 4.34Å; A551-L652 HydrophobicContact CB-CD2 3.79Å
552	C	89.7	Confident	86.3	Confident	0 Å²	0	26 Å²	26	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-69.8	-37.3	174.7	-69.4	0	0	0	0	112.6	L493 L523 L548 V549 D550 L555 L556	L493-C552 HydrophobicContact CD1-CB 3.81Å; L493-C552 VanDerWaalsContact CD1-SG 3.59Å; L493-C552 HydrophobicContact CD2-CB 4.47Å; L493-C552 HydrophobicContact CG-CB 4.37Å; L523-C552 HydrophobicContact CD1-CB 3.51Å; L523-C552 HydrophobicContact CD2-CB 4.2Å; L548-C552 PolarHBondContact O-N 3.01Å; L548-C552 VanDerWaalsContact O-N 3.13Å; L548-C552 PolarHBondContact O-SG 3.18Å; L548-C552 VanDerWaalsContact O-SG 3.39Å; V549-C552 CarbonylContact O-C 3.54Å; V549-C552 WeakPolarHBondContact O-CB 3.46Å; V549-C552 PolarHBondContact O-N 3.07Å; V549-C552 VanDerWaalsContact O-N 3.12Å; D550-C552 VanDerWaalsContact C-N 3.3Å; D550-C552 PolarHBondContact O-N 3.28Å; C552-L555 WeakPolarHBondContact O-CB 3.44Å; C552-L555 PolarHBondContact O-N 2.87Å; C552-L556 PolarHBondContact O-N 3.15Å
553	L	90.3	Very high	86.4	Confident	45 Å²	45	26.3 Å²	26.3	24%	0.236	14%	0.14	C	C	.	.	H	α-helix	trans	-65.6	-40.5	172.8	-72.1	171.8	0	0	0	111.6	L523 V549 D550 L555 L556 E557	L523-L553 HydrophobicContact CB-CD2 3.91Å; L523-L553 HydrophobicContact CB-CG 4.36Å; L523-L553 HydrophobicContact CD1-CD2 4.1Å; L523-L553 HydrophobicContact CD1-CG 4.31Å; V549-L553 HydrophobicContact CG1-CD1 4.06Å; V549-L553 HydrophobicContact CG1-CG 4.29Å; V549-L553 WeakPolarHBondContact O-CG 3.5Å; V549-L553 PolarHBondContact O-N 2.94Å; D550-L553 PolarHBondContact O-N 2.67Å; L553-L555 VanDerWaalsContact C-N 3.31Å; L553-L555 PolarHBondContact O-N 3.16Å; L553-L556 WeakPolarHBondContact O-CB 3.38Å; L553-L556 PolarHBondContact O-N 2.89Å; L553-E557 PolarHBondContact O-N 3.37Å
554	A	88.8	Confident	86.3	Confident	3 Å²	3	27.5 Å²	27.5	3%	0.025	16%	0.155	C	C	.	.	H	α-helix	trans	-62.7	-36.9	174.4	0	0	0	0	0	112.3	D550 E557 A558 P647 F648	D550-A554 WeakPolarHBondContact O-CB 3.48Å; D550-A554 PolarHBondContact O-N 2.88Å; A554-E557 PolarHBondContact O-N 3.08Å; A554-A558 WeakPolarHBondContact O-CB 3.35Å; A554-A558 PolarHBondContact O-N 3.38Å; A554-P647 HydrophobicContact CB-CB 4.03Å; A554-F648 HydrophobicContact CB-CD1 3.91Å; A554-F648 HydrophobicContact CB-CE1 3.92Å; A554-F648 HydrophobicContact CB-CG 4.32Å; A554-F648 HydrophobicContact CB-CZ 4.36Å
555	L	90.2	Very high	85.9	Confident	2 Å²	2	29.7 Å²	29.7	1%	0.01	17%	0.166	C	C	.	.	H	α-helix	trans	-63.8	-41.6	172.7	-72.5	162	0	0	0	112.1	A551 C552 L553 A558 A559 V604 M607 R608 F648	A551-L555 WeakPolarHBondContact O-CG 3.22Å; A551-L555 PolarHBondContact O-N 2.78Å; A551-L555 VanDerWaalsContact O-N 3.09Å; C552-L555 WeakPolarHBondContact O-CB 3.44Å; C552-L555 PolarHBondContact O-N 2.87Å; L553-L555 VanDerWaalsContact C-N 3.31Å; L553-L555 PolarHBondContact O-N 3.16Å; L555-A558 PolarHBondContact O-N 3Å; L555-A559 WeakPolarHBondContact O-CB 3.45Å; L555-A559 PolarHBondContact O-N 3.28Å; L555-V604 HydrophobicContact CB-CG1 4.22Å; L555-M607 HydrophobicContact CD2-CB 3.63Å; L555-R608 HydrophobicContact CD1-CG 3.67Å; L555-R608 VanDerWaalsContact CD1-NE 3.31Å; L555-R608 HydrophobicContact CD2-CB 4.35Å; L555-R608 HydrophobicContact CD2-CG 3.5Å; L555-R608 VanDerWaalsContact CD2-CG 3.5Å; L555-R608 HydrophobicContact CG-CG 4.24Å; L555-F648 HydrophobicContact CD2-CE1 3.91Å; L555-F648 HydrophobicContact CD2-CZ 3.66Å; L555-F648 HydrophobicContact CG-CE1 3.96Å; L555-F648 HydrophobicContact CG-CZ 4.02Å
556	L	89	Confident	85.4	Confident	8 Å²	8	39.2 Å²	39.2	4%	0.042	21%	0.211	C	C	.	.	H	α-helix	trans	-66.5	-41.9	174.9	-76.4	170.2	0	0	0	112.1	L493 L516 K519 L523 C552 L553 A558 A559 V560 V604	L493-L556 HydrophobicContact CD2-CD1 3.87Å; L493-L556 HydrophobicContact CD2-CD2 3.88Å; L493-L556 HydrophobicContact CD2-CG 3.62Å; L516-L556 HydrophobicContact CB-CD2 4.41Å; L516-L556 HydrophobicContact CD2-CD2 3.8Å; K519-L556 HydrophobicContact CB-CD1 4.15Å; K519-L556 HydrophobicContact CB-CD2 3.92Å; L523-L556 HydrophobicContact CD1-CD1 3.53Å; L523-L556 HydrophobicContact CG-CD1 4.47Å; C552-L556 PolarHBondContact O-N 3.15Å; L553-L556 WeakPolarHBondContact O-CB 3.38Å; L553-L556 PolarHBondContact O-N 2.89Å; L556-A558 VanDerWaalsContact C-N 3.32Å; L556-A558 PolarHBondContact O-N 3.15Å; L556-A559 WeakPolarHBondContact O-CB 3.3Å; L556-A559 PolarHBondContact O-N 2.85Å; L556-V560 VanDerWaalsContact O-CG2 3.3Å; L556-V560 WeakPolarHBondContact O-CG2 3.44Å; L556-V560 PolarHBondContact O-N 3.45Å; L556-V604 HydrophobicContact CD2-CB 4.37Å; L556-V604 HydrophobicContact CD2-CG1 3.84Å; L556-V604 HydrophobicContact CD2-CG2 3.93Å; L556-V604 HydrophobicContact CG-CG1 4.22Å
557	E	88.4	Confident	85.1	Confident	98 Å²	98	37.2 Å²	37.2	46%	0.458	20%	0.201	S	C	.	.	H	α-helix	trans	-61.6	-43.3	176.9	-169.6	177.2	169.9	0	0	110.7	L553 A554 A559 V560 I561 P647	L553-E557 PolarHBondContact O-N 3.37Å; A554-E557 PolarHBondContact O-N 3.08Å; E557-A559 PolarHBondContact O-N 3.49Å; E557-V560 PolarHBondContact O-N 2.92Å; E557-I561 HydrophobicContact CG-CD1 4.44Å; E557-I561 VanDerWaalsContact O-CG1 3.29Å; E557-I561 WeakPolarHBondContact O-CG1 2.88Å; E557-I561 PolarHBondContact O-N 2.96Å; E557-P647 HydrophobicContact CB-CB 4.13Å; E557-P647 HydrophobicContact CB-CG 4.08Å; E557-P647 HydrophobicContact CG-CB 4.22Å; E557-P647 HydrophobicContact CG-CG 3.77Å
558	A	88.3	Confident	84.7	Confident	2 Å²	2	40 Å²	40	2%	0.017	21%	0.213	C	C	.	.	H	α-helix	trans	-61.5	-41.3	173.2	0	0	0	0	0	112.4	A554 L555 L556 I561 L562 M607 L644 F648	A554-A558 WeakPolarHBondContact O-CB 3.35Å; A554-A558 PolarHBondContact O-N 3.38Å; L555-A558 PolarHBondContact O-N 3Å; L556-A558 VanDerWaalsContact C-N 3.32Å; L556-A558 PolarHBondContact O-N 3.15Å; A558-I561 PolarHBondContact O-N 3.44Å; A558-L562 PolarHBondContact O-N 3.39Å; A558-L562 VanDerWaalsContact O-N 3.12Å; A558-M607 HydrophobicContact CB-CE 3.72Å; A558-L644 HydrophobicContact CB-CD2 4.12Å; A558-L644 WeakPolarHBondContact O-CD2 3.36Å; A558-F648 HydrophobicContact CB-CE2 3.9Å; A558-F648 HydrophobicContact CB-CZ 4.32Å
559	A	89.1	Confident	84.3	Confident	0 Å²	0	46.2 Å²	46.2	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-62.1	-41.2	173.9	0	0	0	0	0	112.2	L516 L555 L556 E557 L562 C563 L601 V604 M607	L516-A559 HydrophobicContact CD1-CB 3.96Å; L516-A559 HydrophobicContact CD2-CB 4.01Å; L555-A559 WeakPolarHBondContact O-CB 3.45Å; L555-A559 PolarHBondContact O-N 3.28Å; L556-A559 WeakPolarHBondContact O-CB 3.3Å; L556-A559 PolarHBondContact O-N 2.85Å; E557-A559 PolarHBondContact O-N 3.49Å; A559-L562 WeakPolarHBondContact O-CB 3.46Å; A559-L562 PolarHBondContact O-N 3.5Å; A559-C563 PolarHBondContact O-N 2.66Å; A559-C563 VanDerWaalsContact O-N 3.14Å; A559-C563 PolarHBondContact O-SG 2.92Å; A559-C563 VanDerWaalsContact O-SG 3.42Å; A559-L601 HydrophobicContact CB-CD2 3.8Å; A559-V604 HydrophobicContact CB-CG1 4.28Å; A559-M607 HydrophobicContact CB-CG 4.16Å; A559-M607 HydrophobicContact CB-SD 4.44Å
560	V	87.4	Confident	83.8	Confident	60 Å²	60	48.7 Å²	48.7	36%	0.364	25%	0.254	S	S	.	.	H	α-helix	trans	-65.7	-39.6	176.8	170.6	0	0	0	0	111.3	L516 L556 E557 L562 C563 S564	L516-V560 HydrophobicContact CB-CG2 3.9Å; L516-V560 HydrophobicContact CD1-CG2 3.95Å; L556-V560 VanDerWaalsContact O-CG2 3.3Å; L556-V560 WeakPolarHBondContact O-CG2 3.44Å; L556-V560 PolarHBondContact O-N 3.45Å; E557-V560 PolarHBondContact O-N 2.92Å; V560-L562 VanDerWaalsContact C-N 3.26Å; V560-L562 PolarHBondContact O-N 3.17Å; V560-C563 PolarHBondContact O-N 3.26Å; V560-S564 VanDerWaalsContact O-CB 3.27Å; V560-S564 WeakPolarHBondContact O-CB 3.15Å; V560-S564 PolarHBondContact O-N 3.06Å; V560-S564 PolarHBondContact O-OG 2.84Å
561	I	86.1	Confident	83.6	Confident	28 Å²	28	47.8 Å²	47.8	14%	0.144	25%	0.25	C	C	.	.	H	α-helix	trans	-60.2	-38.6	174.5	-71.1	167.9	0	0	0	111	E557 A558 N565 K643 L644 P647	E557-I561 HydrophobicContact CG-CD1 4.44Å; E557-I561 VanDerWaalsContact O-CG1 3.29Å; E557-I561 WeakPolarHBondContact O-CG1 2.88Å; E557-I561 PolarHBondContact O-N 2.96Å; A558-I561 PolarHBondContact O-N 3.44Å; I561-N565 PolarHBondContact O-ND2 2.83Å; I561-K643 VanDerWaalsContact CD1-O 3.31Å; I561-K643 WeakPolarHBondContact CD1-O 3.17Å; I561-K643 HydrophobicContact CG2-CB 3.77Å; I561-L644 HydrophobicContact CB-CD2 4.36Å; I561-L644 HydrophobicContact CG2-CD2 4.08Å; I561-P647 HydrophobicContact CD1-CG 4.12Å
562	L	85.5	Confident	83.3	Confident	12 Å²	12	47.8 Å²	47.8	6%	0.063	25%	0.248	C	C	.	.	H	α-helix	trans	-66.5	-37.9	177.8	-165.5	61.1	0	0	0	111.9	A558 A559 V560 W567 I575 M579 L601 M607 F610 L640	A558-L562 PolarHBondContact O-N 3.39Å; A558-L562 VanDerWaalsContact O-N 3.12Å; A559-L562 WeakPolarHBondContact O-CB 3.46Å; A559-L562 PolarHBondContact O-N 3.5Å; V560-L562 VanDerWaalsContact C-N 3.26Å; V560-L562 PolarHBondContact O-N 3.17Å; L562-W567 PolarHBondContact O-NE1 3.41Å; L562-I575 HydrophobicContact CD1-CD1 3.81Å; L562-I575 HydrophobicContact CD1-CG1 4.27Å; L562-I575 HydrophobicContact CD1-CG2 4.18Å; L562-M579 HydrophobicContact CD2-CE 3.35Å; L562-M579 HydrophobicContact CG-CE 4.28Å; L562-L601 HydrophobicContact CD2-CD2 4.43Å; L562-M607 HydrophobicContact CD2-SD 4.27Å; L562-F610 HydrophobicContact CD1-CE1 4.42Å; L562-F610 HydrophobicContact CD1-CZ 4.09Å; L562-F610 HydrophobicContact CD2-CE2 4.12Å; L562-F610 HydrophobicContact CD2-CZ 4.07Å; L562-L640 HydrophobicContact CD1-CD1 4.43Å
563	C	80.6	Confident	83	Confident	44 Å²	44	52 Å²	52	30%	0.297	27%	0.267	S	S	.	.	H	α-helix	trans	-77.7	-37	178.8	-69.7	0	0	0	0	115.3	A559 V560 L601	A559-C563 PolarHBondContact O-N 2.66Å; A559-C563 VanDerWaalsContact O-N 3.14Å; A559-C563 PolarHBondContact O-SG 2.92Å; A559-C563 VanDerWaalsContact O-SG 3.42Å; V560-C563 PolarHBondContact O-N 3.26Å; C563-L601 WeakPolarHBondContact SG-CD1 3.37Å
564	S	77.3	Confident	82.8	Confident	81 Å²	81	49.9 Å²	49.9	57%	0.566	26%	0.256	S	S	*	.	H	α-helix	trans	-80.9	-20.4	-166.9	51.8	0	0	0	0	113.9	V560	V560-S564 VanDerWaalsContact O-CB 3.27Å; V560-S564 WeakPolarHBondContact O-CB 3.15Å; V560-S564 PolarHBondContact O-N 3.06Å; V560-S564 PolarHBondContact O-OG 2.84Å
565	N	72.2	Confident	82.6	Confident	57 Å²	57	50.3 Å²	50.3	31%	0.305	26%	0.258	S	S	.	.	S	Bend	trans	-103.2	134.9	-174.8	-66	-62.2	0	0	0	111.3	I561 W567	I561-N565 PolarHBondContact O-ND2 2.83Å; N565-W567 HydrophobicContact CB-CD2 4.24Å; N565-W567 HydrophobicContact CB-CH2 4.15Å; N565-W567 HydrophobicContact CB-CZ2 3.47Å; N565-W567 VanDerWaalsContact CB-CZ2 3.47Å; N565-W567 PolarHBondContact O-N 3.48Å; N565-W567 PolarHBondContact O-NE1 3.41Å
566	E	72.8	Confident	82.2	Confident	203 Å²	203	51.1 Å²	51.1	95%	0.949	26%	0.262	S	S	*	.			trans	-79.2	104.9	167.5	-67.7	-174.3	170.5	0	0	109.1
567	W	76.3	Confident	82	Confident	40 Å²	40	54.1 Å²	54.1	15%	0.152	28%	0.277	C	S	.	.			trans	-84.3	154.9	177.6	-58.2	106.4	0	0	0	111.4	L562 N565 I571 S572 I575 L640 K643	L562-W567 PolarHBondContact O-NE1 3.41Å; N565-W567 HydrophobicContact CB-CD2 4.24Å; N565-W567 HydrophobicContact CB-CH2 4.15Å; N565-W567 HydrophobicContact CB-CZ2 3.47Å; N565-W567 VanDerWaalsContact CB-CZ2 3.47Å; N565-W567 PolarHBondContact O-N 3.48Å; N565-W567 PolarHBondContact O-NE1 3.41Å; W567-I571 HydrophobicContact CB-CB 4.24Å; W567-I571 HydrophobicContact CB-CG2 4.2Å; W567-I571 HydrophobicContact CE3-CD1 4.38Å; W567-I571 HydrophobicContact CG-CG2 4.5Å; W567-S572 PolarHBondContact O-OG 3.42Å; W567-I575 HydrophobicContact CB-CD1 4.44Å; W567-I575 HydrophobicContact CG-CD1 4.11Å; W567-L640 HydrophobicContact CD2-CD1 4.29Å; W567-L640 HydrophobicContact CE3-CB 4.36Å; W567-L640 HydrophobicContact CE3-CD1 4.47Å; W567-L640 HydrophobicContact CH2-CB 3.88Å; W567-L640 HydrophobicContact CH2-CD1 3.48Å; W567-L640 VanDerWaalsContact CH2-CD1 3.48Å; W567-L640 HydrophobicContact CH2-CG 4.27Å; W567-L640 HydrophobicContact CZ2-CD1 3.26Å; W567-L640 HydrophobicContact CZ2-CG 4.41Å; W567-L640 HydrophobicContact CZ3-CB 3.81Å; W567-L640 HydrophobicContact CZ3-CD1 4.11Å; W567-L640 HydrophobicContact CZ3-CG 4.5Å; W567-K643 HydrophobicContact CH2-CD 4.04Å
568	Q	78	Confident	81.9	Confident	86 Å²	86	49.5 Å²	49.5	40%	0.402	26%	0.255	S	S	.	.			trans	-58.2	154.3	172.8	-66.5	-173.3	-17.3	0	0	111.1	I570 I571 S572	Q568-I570 VanDerWaalsContact C-N 3.29Å; Q568-I570 PolarHBondContact O-N 3.22Å; Q568-I571 HydrophobicContact CB-CD1 3.95Å; Q568-I571 HydrophobicContact CB-CG1 4.18Å; Q568-I571 HydrophobicContact CG-CD1 4.36Å; Q568-I571 PolarHBondContact O-N 3.37Å; Q568-S572 PolarHBondContact O-N 2.74Å; Q568-S572 PolarHBondContact O-OG 3.38Å
569	E	77.6	Confident	81.8	Confident	157 Å²	157	49.4 Å²	49.4	73%	0.734	25%	0.254	S	S	*	.	H	α-helix	trans	-56.7	-41.6	-174.6	-172	171.3	-166.4	0	0	112.6	S572 E573	E569-S572 WeakPolarHBondContact O-CB 3.34Å; E569-S572 PolarHBondContact O-N 2.94Å; E569-E573 PolarHBondContact O-N 2.89Å
570	I	78	Confident	81.5	Confident	51 Å²	51	51.1 Å²	51.1	26%	0.262	26%	0.261	S	S	.	.	H	α-helix	trans	-68.1	-43.3	179.3	-57.7	172	0	0	0	111.3	Q568 S572 E573 I574 F625 I633	Q568-I570 VanDerWaalsContact C-N 3.29Å; Q568-I570 PolarHBondContact O-N 3.22Å; I570-S572 VanDerWaalsContact C-N 3.26Å; I570-S572 PolarHBondContact O-N 2.89Å; I570-E573 WeakPolarHBondContact O-CB 3.36Å; I570-E573 PolarHBondContact O-N 3.48Å; I570-E573 VanDerWaalsContact O-N 3.11Å; I570-I574 HydrophobicContact CG2-CD1 4.44Å; I570-I574 WeakPolarHBondContact O-CG1 3.21Å; I570-I574 PolarHBondContact O-N 2.91Å; I570-F625 HydrophobicContact CD1-CE1 4.4Å; I570-F625 HydrophobicContact CG2-CE2 4.32Å; I570-F625 HydrophobicContact CG2-CZ 4.16Å; I570-I633 HydrophobicContact CD1-CD1 4.06Å; I570-I633 HydrophobicContact CD1-CG1 4.11Å; I570-I633 HydrophobicContact CG2-CD1 3.84Å; I570-I633 HydrophobicContact CG2-CG1 3.94Å; I570-I633 HydrophobicContact CG2-CG2 4.32Å
571	I	82.9	Confident	81.4	Confident	2 Å²	2	52.5 Å²	52.5	1%	0.01	27%	0.273	C	S	.	.	H	α-helix	trans	-63	-40.1	176	-55.2	169.8	0	0	0	109.8	W567 Q568 E573 I574 I575 F614 T636 L640	W567-I571 HydrophobicContact CB-CB 4.24Å; W567-I571 HydrophobicContact CB-CG2 4.2Å; W567-I571 HydrophobicContact CE3-CD1 4.38Å; W567-I571 HydrophobicContact CG-CG2 4.5Å; Q568-I571 HydrophobicContact CB-CD1 3.95Å; Q568-I571 HydrophobicContact CB-CG1 4.18Å; Q568-I571 HydrophobicContact CG-CD1 4.36Å; Q568-I571 PolarHBondContact O-N 3.37Å; I571-E573 PolarHBondContact O-N 3.16Å; I571-I574 PolarHBondContact O-N 3.47Å; I571-I574 VanDerWaalsContact O-N 3.16Å; I571-I575 HydrophobicContact CG2-CD1 3.84Å; I571-I575 HydrophobicContact CG2-CG1 4.23Å; I571-I575 WeakPolarHBondContact O-CB 3.35Å; I571-I575 WeakPolarHBondContact O-CG1 3.47Å; I571-I575 PolarHBondContact O-N 2.93Å; I571-F614 HydrophobicContact CG2-CE2 4.41Å; I571-F614 HydrophobicContact CG2-CZ 4.49Å; I571-T636 HydrophobicContact CD1-CG2 4.35Å; I571-T636 WeakPolarHBondContact CD1-OG1 3.17Å; I571-L640 HydrophobicContact CG2-CD2 3.85Å
572	S	81.8	Confident	81.2	Confident	24 Å²	24	53.5 Å²	53.5	17%	0.168	28%	0.278	C	S	.	.	H	α-helix	trans	-61.7	-32.8	176.7	-57	0	0	0	0	112	W567 Q568 E569 I570 E576 R593	W567-S572 PolarHBondContact O-OG 3.42Å; Q568-S572 PolarHBondContact O-N 2.74Å; Q568-S572 PolarHBondContact O-OG 3.38Å; E569-S572 WeakPolarHBondContact O-CB 3.34Å; E569-S572 PolarHBondContact O-N 2.94Å; I570-S572 VanDerWaalsContact C-N 3.26Å; I570-S572 PolarHBondContact O-N 2.89Å; S572-E576 WeakPolarHBondContact O-CB 3.48Å; S572-E576 PolarHBondContact O-N 3.19Å; S572-R593 VanDerWaalsContact CB-NH1 3.35Å
573	E	83.2	Confident	81.1	Confident	89 Å²	89	54.7 Å²	54.7	42%	0.416	28%	0.284	S	S	.	.	H	α-helix	trans	-70	-43.4	173.1	-169.1	171.1	-161.2	0	0	112	E569 I570 I571 I575 E576 M577 M621	E569-E573 PolarHBondContact O-N 2.89Å; I570-E573 WeakPolarHBondContact O-CB 3.36Å; I570-E573 PolarHBondContact O-N 3.48Å; I570-E573 VanDerWaalsContact O-N 3.11Å; I571-E573 PolarHBondContact O-N 3.16Å; E573-I575 VanDerWaalsContact C-N 3.35Å; E573-I575 PolarHBondContact O-N 3.2Å; E573-E576 PolarHBondContact O-N 3.26Å; E573-M577 WeakPolarHBondContact O-CG 3.31Å; E573-M577 PolarHBondContact O-N 2.97Å; E573-M621 HydrophobicContact CB-CE 4.43Å; E573-M621 HydrophobicContact CG-CE 3.85Å
574	I	84.2	Confident	81	Confident	0 Å²	0	60.6 Å²	60.6	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-61.3	-43.7	173.9	-61.7	168.1	0	0	0	110.8	I570 I571 E576 M577 T578 F614 A617 E618 M621 I633	I570-I574 HydrophobicContact CG2-CD1 4.44Å; I570-I574 WeakPolarHBondContact O-CG1 3.21Å; I570-I574 PolarHBondContact O-N 2.91Å; I571-I574 PolarHBondContact O-N 3.47Å; I571-I574 VanDerWaalsContact O-N 3.16Å; I574-E576 VanDerWaalsContact C-N 3.32Å; I574-E576 PolarHBondContact O-N 3.18Å; I574-M577 PolarHBondContact O-N 3.4Å; I574-T578 WeakPolarHBondContact O-CB 3.33Å; I574-T578 PolarHBondContact O-N 2.94Å; I574-T578 PolarHBondContact O-OG1 3.25Å; I574-F614 HydrophobicContact CB-CE2 4.12Å; I574-F614 HydrophobicContact CG2-CD2 3.75Å; I574-F614 HydrophobicContact CG2-CE2 3.49Å; I574-F614 VanDerWaalsContact CG2-CE2 3.49Å; I574-F614 HydrophobicContact CG2-CG 4.49Å; I574-F614 HydrophobicContact CG2-CZ 4.05Å; I574-A617 HydrophobicContact CG2-CB 3.96Å; I574-E618 HydrophobicContact CG2-CB 4.33Å; I574-M621 HydrophobicContact CG1-CB 4.22Å; I574-M621 HydrophobicContact CG1-CG 4.1Å; I574-I633 HydrophobicContact CD1-CG2 3.89Å
575	I	85.7	Confident	80.5	Confident	13 Å²	13	60.2 Å²	60.2	7%	0.067	30%	0.298	C	S	.	.	H	α-helix	trans	-59	-46	175.1	-67.9	166.1	0	0	0	109.9	L562 W567 I571 E573 T578 M579 F610 F614 L640	L562-I575 HydrophobicContact CD1-CD1 3.81Å; L562-I575 HydrophobicContact CD1-CG1 4.27Å; L562-I575 HydrophobicContact CD1-CG2 4.18Å; W567-I575 HydrophobicContact CB-CD1 4.44Å; W567-I575 HydrophobicContact CG-CD1 4.11Å; I571-I575 HydrophobicContact CG2-CD1 3.84Å; I571-I575 HydrophobicContact CG2-CG1 4.23Å; I571-I575 WeakPolarHBondContact O-CB 3.35Å; I571-I575 WeakPolarHBondContact O-CG1 3.47Å; I571-I575 PolarHBondContact O-N 2.93Å; E573-I575 VanDerWaalsContact C-N 3.35Å; E573-I575 PolarHBondContact O-N 3.2Å; I575-T578 WeakPolarHBondContact O-CB 3.43Å; I575-T578 PolarHBondContact O-N 3.08Å; I575-M579 HydrophobicContact CG2-CE 3.55Å; I575-M579 HydrophobicContact CG2-CG 4.45Å; I575-M579 HydrophobicContact CG2-SD 4.02Å; I575-M579 WeakPolarHBondContact O-CG 3.26Å; I575-M579 PolarHBondContact O-N 3.41Å; I575-F610 HydrophobicContact CG1-CZ 4.21Å; I575-F610 HydrophobicContact CG2-CE2 4.22Å; I575-F610 HydrophobicContact CG2-CZ 4.11Å; I575-F614 HydrophobicContact CG1-CD2 4.36Å; I575-F614 HydrophobicContact CG1-CE2 4.06Å; I575-L640 HydrophobicContact CD1-CD2 4.15Å; I575-L640 HydrophobicContact CG1-CD2 4.3Å
576	E	82.6	Confident	79.8	Confident	18 Å²	18	67.6 Å²	67.6	8%	0.084	33%	0.327	C	S	.	.	H	α-helix	trans	-64.3	-44.4	179.7	-175.6	176.3	167.4	0	0	112.1	S572 E573 I574 T578 M579 R580 R593 I596	S572-E576 WeakPolarHBondContact O-CB 3.48Å; S572-E576 PolarHBondContact O-N 3.19Å; E573-E576 PolarHBondContact O-N 3.26Å; I574-E576 VanDerWaalsContact C-N 3.32Å; I574-E576 PolarHBondContact O-N 3.18Å; E576-T578 VanDerWaalsContact C-N 3.3Å; E576-T578 PolarHBondContact O-N 3.39Å; E576-M579 PolarHBondContact O-N 3.36Å; E576-R580 WeakPolarHBondContact O-CB 3.47Å; E576-R580 VanDerWaalsContact O-CG 3.24Å; E576-R580 WeakPolarHBondContact O-CG 3.08Å; E576-R580 PolarHBondContact O-N 2.89Å; E576-R580 IonicContact OE1-CZ 3.35Å; E576-R580 IonicContact OE1-NE 3Å; E576-R580 PolarHBondContact OE1-NE 2.67Å; E576-R580 IonicContact OE1-NH2 3.74Å; E576-R580 PolarHBondContact OE1-NH2 3.22Å; E576-R593 IonicContact OE2-CZ 3.49Å; E576-R593 IonicContact OE2-NE 3.73Å; E576-R593 PolarHBondContact OE2-NE 3.26Å; E576-R593 IonicContact OE2-NH2 2.99Å; E576-I596 HydrophobicContact CG-CD1 4.27Å
577	M	83.7	Confident	79.1	Confident	72 Å²	72	60.8 Å²	60.8	36%	0.355	30%	0.302	S	S	.	.	H	α-helix	trans	-59.6	-42.5	174.1	-74.4	176	64.2	0	0	111.7	E573 I574 R580 S581 A617 M621	E573-M577 WeakPolarHBondContact O-CG 3.31Å; E573-M577 PolarHBondContact O-N 2.97Å; I574-M577 PolarHBondContact O-N 3.4Å; M577-R580 PolarHBondContact O-N 3.49Å; M577-S581 WeakPolarHBondContact O-CB 3.28Å; M577-S581 PolarHBondContact O-N 3.1Å; M577-A617 HydrophobicContact CB-CB 4.38Å; M577-M621 HydrophobicContact CE-CG 3.91Å; M577-M621 HydrophobicContact CE-SD 3.91Å; M577-M621 HydrophobicContact SD-CE 3.84Å; M577-M621 HydrophobicContact SD-CG 3.69Å; M577-M621 HydrophobicContact SD-SD 3.44Å
578	T	85.8	Confident	78	Confident	0 Å²	0	66.1 Å²	66.1	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-61.1	-51.1	177	-58.7	0	0	0	0	111.2	I574 I575 E576 R580 S581 L582 F610 G613 F614 A617	I574-T578 WeakPolarHBondContact O-CB 3.33Å; I574-T578 PolarHBondContact O-N 2.94Å; I574-T578 PolarHBondContact O-OG1 3.25Å; I575-T578 WeakPolarHBondContact O-CB 3.43Å; I575-T578 PolarHBondContact O-N 3.08Å; E576-T578 VanDerWaalsContact C-N 3.3Å; E576-T578 PolarHBondContact O-N 3.39Å; T578-R580 VanDerWaalsContact C-N 3.34Å; T578-R580 PolarHBondContact O-N 3.13Å; T578-S581 PolarHBondContact O-N 3.41Å; T578-L582 HydrophobicContact CG2-CD1 4.04Å; T578-L582 WeakPolarHBondContact O-CG 3.34Å; T578-L582 PolarHBondContact O-N 2.96Å; T578-F610 HydrophobicContact CG2-CD2 3.8Å; T578-F610 HydrophobicContact CG2-CE2 3.79Å; T578-F610 HydrophobicContact CG2-CG 4.48Å; T578-F610 HydrophobicContact CG2-CZ 4.45Å; T578-G613 VanDerWaalsContact CG2-C 3.48Å; T578-F614 HydrophobicContact CG2-CB 4.21Å; T578-F614 VanDerWaalsContact CG2-N 3.34Å; T578-F614 VanDerWaalsContact OG1-CA 3.31Å; T578-F614 WeakPolarHBondContact OG1-CA 3.42Å; T578-A617 WeakPolarHBondContact OG1-CB 3.21Å
579	M	86	Confident	76.6	Confident	1 Å²	1	64.8 Å²	64.8	1%	0.005	33%	0.331	C	S	.	.	H	α-helix	trans	-61.4	-42.6	179	-70.8	177.1	176.6	0	0	111.6	L562 I575 E576 S581 L582 L583 I596 T597 F600 F610	L562-M579 HydrophobicContact CD2-CE 3.35Å; L562-M579 HydrophobicContact CG-CE 4.28Å; I575-M579 HydrophobicContact CG2-CE 3.55Å; I575-M579 HydrophobicContact CG2-CG 4.45Å; I575-M579 HydrophobicContact CG2-SD 4.02Å; I575-M579 WeakPolarHBondContact O-CG 3.26Å; I575-M579 PolarHBondContact O-N 3.41Å; E576-M579 PolarHBondContact O-N 3.36Å; M579-S581 PolarHBondContact O-N 3.27Å; M579-L582 PolarHBondContact O-N 3.49Å; M579-L583 WeakPolarHBondContact O-CB 3.31Å; M579-L583 VanDerWaalsContact O-CG 3.25Å; M579-L583 WeakPolarHBondContact O-CG 3.24Å; M579-L583 PolarHBondContact O-N 3.16Å; M579-I596 HydrophobicContact CB-CG2 3.92Å; M579-T597 HydrophobicContact CE-CG2 4.21Å; M579-T597 HydrophobicContact SD-CG2 4.45Å; M579-F600 HydrophobicContact CB-CB 4.32Å; M579-F600 HydrophobicContact CB-CD2 4.26Å; M579-F600 HydrophobicContact CB-CG 4.23Å; M579-F600 HydrophobicContact CE-CD1 3.74Å; M579-F600 HydrophobicContact CE-CE1 4.3Å; M579-F600 HydrophobicContact CE-CG 4.35Å; M579-F600 HydrophobicContact CG-CB 4.05Å; M579-F600 HydrophobicContact CG-CD1 3.89Å; M579-F600 HydrophobicContact CG-CD2 4.08Å; M579-F600 HydrophobicContact CG-CE1 4.35Å; M579-F600 HydrophobicContact CG-CG 3.73Å; M579-F600 HydrophobicContact SD-CB 4.04Å; M579-F600 HydrophobicContact SD-CD1 4.19Å; M579-F600 HydrophobicContact SD-CG 4.2Å; M579-F610 HydrophobicContact CE-CE2 4.19Å; M579-F610 HydrophobicContact CG-CE2 4.2Å
580	R	83.3	Confident	75.4	Confident	36 Å²	36	62 Å²	62	14%	0.136	33%	0.329	C	S	.	.	H	α-helix	trans	-61.4	-43.4	176.1	-75	172.5	179.2	-139.1	3.6	112.4	E576 M577 T578 L582 L583 E584 M585 D588 T589 S590 I596	E576-R580 WeakPolarHBondContact O-CB 3.47Å; E576-R580 VanDerWaalsContact O-CG 3.24Å; E576-R580 WeakPolarHBondContact O-CG 3.08Å; E576-R580 PolarHBondContact O-N 2.89Å; E576-R580 IonicContact OE1-CZ 3.35Å; E576-R580 IonicContact OE1-NE 3Å; E576-R580 PolarHBondContact OE1-NE 2.67Å; E576-R580 IonicContact OE1-NH2 3.74Å; E576-R580 PolarHBondContact OE1-NH2 3.22Å; M577-R580 PolarHBondContact O-N 3.49Å; T578-R580 VanDerWaalsContact C-N 3.34Å; T578-R580 PolarHBondContact O-N 3.13Å; R580-L582 VanDerWaalsContact C-N 3.33Å; R580-L583 PolarHBondContact O-N 2.94Å; R580-E584 PolarHBondContact O-N 2.82Å; R580-M585 PolarHBondContact O-N 3.2Å; R580-M585 VanDerWaalsContact O-N 3.11Å; R580-D588 IonicContact NH1-OD1 3.8Å; R580-T589 PolarHBondContact NH2-O 2.97Å; R580-S590 VanDerWaalsContact NH2-CA 3.33Å; R580-I596 HydrophobicContact CG-CD1 4.06Å; R580-I596 HydrophobicContact CG-CG2 4.33Å
581	S	84.9	Confident	74.2	Confident	88 Å²	88	63.7 Å²	63.7	62%	0.615	35%	0.345	S	S	*	.	H	α-helix	trans	-62.9	-41.2	177.4	-176.3	0	0	0	0	111.4	M577 T578 M579 E584	M577-S581 WeakPolarHBondContact O-CB 3.28Å; M577-S581 PolarHBondContact O-N 3.1Å; T578-S581 PolarHBondContact O-N 3.41Å; M579-S581 PolarHBondContact O-N 3.27Å; S581-E584 PolarHBondContact O-N 3.41Å
582	L	83	Confident	73.2	Confident	50 Å²	50	69.1 Å²	69.1	26%	0.262	37%	0.367	S	S	.	.	H	α-helix	trans	-73.6	-31.2	179.8	-69.2	174.9	0	0	0	113	T578 M579 R580 E584 F600 F609 F610	T578-L582 HydrophobicContact CG2-CD1 4.04Å; T578-L582 WeakPolarHBondContact O-CG 3.34Å; T578-L582 PolarHBondContact O-N 2.96Å; M579-L582 PolarHBondContact O-N 3.49Å; R580-L582 VanDerWaalsContact C-N 3.33Å; L582-E584 VanDerWaalsContact C-N 3.26Å; L582-E584 PolarHBondContact O-N 3.36Å; L582-F600 HydrophobicContact CB-CE2 4Å; L582-F600 HydrophobicContact CD1-CE2 3.77Å; L582-F600 HydrophobicContact CD1-CZ 3.99Å; L582-F609 HydrophobicContact CD1-CB 4.39Å; L582-F609 HydrophobicContact CD2-CB 3.73Å; L582-F610 HydrophobicContact CD1-CB 4.46Å
583	L	82.6	Confident	72.3	Confident	36 Å²	36	72.6 Å²	72.6	19%	0.188	38%	0.376	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.7	2.3	174.7	-66.8	173.5	0	0	0	113.4	M579 R580 M585 I596 I599 F600	M579-L583 WeakPolarHBondContact O-CB 3.31Å; M579-L583 VanDerWaalsContact O-CG 3.25Å; M579-L583 WeakPolarHBondContact O-CG 3.24Å; M579-L583 PolarHBondContact O-N 3.16Å; R580-L583 PolarHBondContact O-N 2.94Å; L583-M585 HydrophobicContact CB-CG 3.82Å; L583-M585 HydrophobicContact CB-SD 4.32Å; L583-M585 HydrophobicContact CD1-SD 4.21Å; L583-M585 PolarHBondContact O-N 3.29Å; L583-I596 HydrophobicContact CD1-CG2 4.32Å; L583-I599 HydrophobicContact CD1-CG2 4.05Å; L583-I599 HydrophobicContact CD2-CG2 4.26Å; L583-F600 HydrophobicContact CD1-CB 4.17Å; L583-F600 HydrophobicContact CD2-CD2 4.33Å; L583-F600 HydrophobicContact CG-CD2 4.2Å
584	E	78.6	Confident	71.5	Confident	169 Å²	169	78.5 Å²	78.5	79%	0.79	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.1	27.5	-175.5	-57.5	-173.8	169.3	0	0	114.1	R580 S581 L582 K586	R580-E584 PolarHBondContact O-N 2.82Å; S581-E584 PolarHBondContact O-N 3.41Å; L582-E584 VanDerWaalsContact C-N 3.26Å; L582-E584 PolarHBondContact O-N 3.36Å; E584-K586 PolarHBondContact O-N 2.9Å
585	M	67	Low	71	Confident	73 Å²	73	83.3 Å²	83.3	36%	0.36	42%	0.417	S	S	.	.			trans	-77.9	107.4	-177.6	-67.4	-170.5	83.3	0	0	110.6	R580 L583 S587	R580-M585 PolarHBondContact O-N 3.2Å; R580-M585 VanDerWaalsContact O-N 3.11Å; L583-M585 HydrophobicContact CB-CG 3.82Å; L583-M585 HydrophobicContact CB-SD 4.32Å; L583-M585 HydrophobicContact CD1-SD 4.21Å; L583-M585 PolarHBondContact O-N 3.29Å; M585-S587 VanDerWaalsContact C-N 3.32Å; M585-S587 PolarHBondContact O-N 3.23Å
586	K	57.6	Low	70.6	Confident	212 Å²	212	83 Å²	83	92%	0.922	42%	0.415	S	S	*	.			trans	-79.4	-4	-179.6	-65.1	-173.8	179.1	179.5	0	115.2	E584	E584-K586 PolarHBondContact O-N 2.9Å
587	S	58.4	Low	70.4	Confident	59 Å²	59	84 Å²	84	41%	0.413	42%	0.423	S	S	.	.			trans	-99.4	126.9	-172.9	56.5	0	0	0	0	113.2	M585 T589	M585-S587 VanDerWaalsContact C-N 3.32Å; M585-S587 PolarHBondContact O-N 3.23Å; S587-T589 VanDerWaalsContact C-N 3.26Å; S587-T589 PolarHBondContact O-N 3.17Å
588	D	52.5	Low	70.1	Confident	153 Å²	153	83.6 Å²	83.6	82%	0.818	42%	0.422	S	S	*	.			trans	-73.1	72.9	169.1	-77.1	-29.9	0	0	0	111.7	R580	R580-D588 IonicContact NH1-OD1 3.8Å
589	T	49.3	Very low	69.9	Low	57 Å²	57	87 Å²	87	35%	0.35	44%	0.44	S	S	.	.			trans	-105.8	75.6	167.9	46.8	0	0	0	0	109.1	R580 S587 S591	R580-T589 PolarHBondContact NH2-O 2.97Å; S587-T589 VanDerWaalsContact C-N 3.26Å; S587-T589 PolarHBondContact O-N 3.17Å; T589-S591 PolarHBondContact O-N 3.1Å; T589-S591 VanDerWaalsContact O-N 3.09Å
590	S	52.1	Low	69.7	Low	100 Å²	100	87 Å²	87	70%	0.699	44%	0.44	S	S	*	.	G	3₁₀ helix	trans	-58	-12.2	172.5	53.5	0	0	0	0	114.2	R580 Y592	R580-S590 VanDerWaalsContact NH2-CA 3.33Å; S590-Y592 VanDerWaalsContact C-N 3.26Å; S590-Y592 PolarHBondContact O-N 2.71Å
591	S	53.1	Low	69.7	Low	85 Å²	85	85.3 Å²	85.3	59%	0.594	43%	0.433	S	S	*	.	G	3₁₀ helix	trans	-76.4	0.6	-175.8	55.1	0	0	0	0	115.6	T589	T589-S591 PolarHBondContact O-N 3.1Å; T589-S591 VanDerWaalsContact O-N 3.09Å
592	Y	62.4	Low	69.5	Low	117 Å²	117	84.6 Å²	84.6	46%	0.459	42%	0.42	S	S	.	.	G	3₁₀ helix	trans	-138.2	41.9	-171.9	-60.5	-72.6	0	0	0	114.9	S590 R594 Q595 I596	S590-Y592 VanDerWaalsContact C-N 3.26Å; S590-Y592 PolarHBondContact O-N 2.71Å; Y592-R594 VanDerWaalsContact C-N 3.27Å; Y592-R594 PolarHBondContact O-N 2.89Å; Y592-R594 VanDerWaalsContact O-N 3.15Å; Y592-Q595 HydrophobicContact CD1-CG 4.17Å; Y592-Q595 VanDerWaalsContact CD1-NE2 3.34Å; Y592-Q595 HydrophobicContact CG-CG 4.47Å; Y592-Q595 PolarHBondContact O-N 3.25Å; Y592-I596 PolarHBondContact O-N 3.43Å; Y592-I596 VanDerWaalsContact O-N 3.1Å
593	R	62.2	Low	69.6	Low	96 Å²	96	86.7 Å²	86.7	36%	0.362	43%	0.428	S	S	.	.	H	α-helix	trans	-46.5	-45.2	178	-179	-179.2	-75.9	-177.1	-4	114	S572 E576 I596 T597	S572-R593 VanDerWaalsContact CB-NH1 3.35Å; E576-R593 IonicContact OE2-CZ 3.49Å; E576-R593 IonicContact OE2-NE 3.73Å; E576-R593 PolarHBondContact OE2-NE 3.26Å; E576-R593 IonicContact OE2-NH2 2.99Å; R593-I596 PolarHBondContact O-N 3.42Å; R593-T597 PolarHBondContact O-N 2.9Å; R593-T597 VanDerWaalsContact O-N 3.09Å; R593-T597 PolarHBondContact O-OG1 3.38Å
594	R	65.5	Low	69.7	Low	213 Å²	213	85 Å²	85	80%	0.804	42%	0.419	S	S	*	.	H	α-helix	trans	-61.6	-43.6	177	-75.5	-173.6	-175.4	166.2	1.2	112.2	Y592 I596 T597 D598	Y592-R594 VanDerWaalsContact C-N 3.27Å; Y592-R594 PolarHBondContact O-N 2.89Å; Y592-R594 VanDerWaalsContact O-N 3.15Å; R594-I596 VanDerWaalsContact C-N 3.35Å; R594-I596 PolarHBondContact O-N 2.92Å; R594-T597 PolarHBondContact O-N 3.33Å; R594-D598 WeakPolarHBondContact O-CB 3.32Å; R594-D598 PolarHBondContact O-N 3.43Å; R594-D598 VanDerWaalsContact O-OD2 3.13Å
595	Q	75.3	Confident	70.1	Confident	101 Å²	101	77.7 Å²	77.7	47%	0.472	39%	0.388	S	S	.	.	H	α-helix	trans	-65.1	-38.5	179.6	-60.7	179.4	-11.8	0	0	112	Y592 D598 I599	Y592-Q595 HydrophobicContact CD1-CG 4.17Å; Y592-Q595 VanDerWaalsContact CD1-NE2 3.34Å; Y592-Q595 HydrophobicContact CG-CG 4.47Å; Y592-Q595 PolarHBondContact O-N 3.25Å; Q595-D598 PolarHBondContact O-N 3.41Å; Q595-I599 WeakPolarHBondContact O-CB 3.48Å; Q595-I599 WeakPolarHBondContact O-CD1 3.36Å; Q595-I599 WeakPolarHBondContact O-CG1 3.4Å; Q595-I599 PolarHBondContact O-N 2.73Å
596	I	75.8	Confident	71	Confident	7 Å²	7	76 Å²	76	4%	0.036	38%	0.38	C	S	.	.	H	α-helix	trans	-64.3	-45.5	177.2	-62.9	171.7	0	0	0	110.4	E576 M579 R580 L583 Y592 R593 R594 D598 I599 F600	E576-I596 HydrophobicContact CG-CD1 4.27Å; M579-I596 HydrophobicContact CB-CG2 3.92Å; R580-I596 HydrophobicContact CG-CD1 4.06Å; R580-I596 HydrophobicContact CG-CG2 4.33Å; L583-I596 HydrophobicContact CD1-CG2 4.32Å; Y592-I596 PolarHBondContact O-N 3.43Å; Y592-I596 VanDerWaalsContact O-N 3.1Å; R593-I596 PolarHBondContact O-N 3.42Å; R594-I596 VanDerWaalsContact C-N 3.35Å; R594-I596 PolarHBondContact O-N 2.92Å; I596-D598 VanDerWaalsContact C-N 3.3Å; I596-D598 PolarHBondContact O-N 3.45Å; I596-I599 PolarHBondContact O-N 3.49Å; I596-F600 WeakPolarHBondContact O-CB 3.36Å; I596-F600 PolarHBondContact O-N 3.36Å
597	T	79	Confident	72.4	Confident	39 Å²	39	66.4 Å²	66.4	24%	0.239	34%	0.339	C	S	.	.	H	α-helix	trans	-61	-43.4	176.9	-53.1	0	0	0	0	110.5	M579 R593 R594 F600 L601	M579-T597 HydrophobicContact CE-CG2 4.21Å; M579-T597 HydrophobicContact SD-CG2 4.45Å; R593-T597 PolarHBondContact O-N 2.9Å; R593-T597 VanDerWaalsContact O-N 3.09Å; R593-T597 PolarHBondContact O-OG1 3.38Å; R594-T597 PolarHBondContact O-N 3.33Å; T597-F600 PolarHBondContact O-N 3.42Å; T597-L601 HydrophobicContact CG2-CD1 3.66Å; T597-L601 WeakPolarHBondContact O-CB 3.49Å; T597-L601 WeakPolarHBondContact O-CD1 3.33Å; T597-L601 VanDerWaalsContact O-CG 3.24Å; T597-L601 WeakPolarHBondContact O-CG 3.1Å; T597-L601 PolarHBondContact O-N 2.86Å
598	D	78.5	Confident	73.7	Confident	64 Å²	64	66 Å²	66	34%	0.342	33%	0.328	S	S	.	.	H	α-helix	trans	-65.4	-45.7	179.7	-66.3	-25.8	0	0	0	111.9	I512 R594 Q595 I596 L601 Q602	I512-D598 VanDerWaalsContact CD1-CA 3.49Å; I512-D598 HydrophobicContact CD1-CB 4.07Å; I512-D598 WeakPolarHBondContact CD1-O 3.17Å; R594-D598 WeakPolarHBondContact O-CB 3.32Å; R594-D598 PolarHBondContact O-N 3.43Å; R594-D598 VanDerWaalsContact O-OD2 3.13Å; Q595-D598 PolarHBondContact O-N 3.41Å; I596-D598 VanDerWaalsContact C-N 3.3Å; I596-D598 PolarHBondContact O-N 3.45Å; D598-L601 PolarHBondContact O-N 2.95Å; D598-Q602 VanDerWaalsContact O-CG 3.27Å; D598-Q602 WeakPolarHBondContact O-CG 3.31Å; D598-Q602 PolarHBondContact O-N 2.96Å
599	I	80.9	Confident	75.4	Confident	72 Å²	72	62.9 Å²	62.9	37%	0.369	31%	0.307	S	S	.	.	H	α-helix	trans	-62.1	-45.1	177.3	-68.8	162.3	0	0	0	110.9	L583 Q595 I596 L601 Q602	L583-I599 HydrophobicContact CD1-CG2 4.05Å; L583-I599 HydrophobicContact CD2-CG2 4.26Å; Q595-I599 WeakPolarHBondContact O-CB 3.48Å; Q595-I599 WeakPolarHBondContact O-CD1 3.36Å; Q595-I599 WeakPolarHBondContact O-CG1 3.4Å; Q595-I599 PolarHBondContact O-N 2.73Å; I596-I599 PolarHBondContact O-N 3.49Å; I599-L601 VanDerWaalsContact C-N 3.34Å; I599-L601 PolarHBondContact O-N 3.41Å; I599-Q602 WeakPolarHBondContact O-CB 3.26Å; I599-Q602 PolarHBondContact O-N 3.48Å
600	F	82.2	Confident	77.3	Confident	0 Å²	0	60.3 Å²	60.3	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-63	-42.4	-179.5	-178.4	-98.8	0	0	0	111.9	M579 L582 L583 I596 T597 Q602 E603 N606 M607 F610	M579-F600 HydrophobicContact CB-CB 4.32Å; M579-F600 HydrophobicContact CB-CD2 4.26Å; M579-F600 HydrophobicContact CB-CG 4.23Å; M579-F600 HydrophobicContact CE-CD1 3.74Å; M579-F600 HydrophobicContact CE-CE1 4.3Å; M579-F600 HydrophobicContact CE-CG 4.35Å; M579-F600 HydrophobicContact CG-CB 4.05Å; M579-F600 HydrophobicContact CG-CD1 3.89Å; M579-F600 HydrophobicContact CG-CD2 4.08Å; M579-F600 HydrophobicContact CG-CE1 4.35Å; M579-F600 HydrophobicContact CG-CG 3.73Å; M579-F600 HydrophobicContact SD-CB 4.04Å; M579-F600 HydrophobicContact SD-CD1 4.19Å; M579-F600 HydrophobicContact SD-CG 4.2Å; L582-F600 HydrophobicContact CB-CE2 4Å; L582-F600 HydrophobicContact CD1-CE2 3.77Å; L582-F600 HydrophobicContact CD1-CZ 3.99Å; L583-F600 HydrophobicContact CD1-CB 4.17Å; L583-F600 HydrophobicContact CD2-CD2 4.33Å; L583-F600 HydrophobicContact CG-CD2 4.2Å; I596-F600 WeakPolarHBondContact O-CB 3.36Å; I596-F600 PolarHBondContact O-N 3.36Å; T597-F600 PolarHBondContact O-N 3.42Å; F600-Q602 VanDerWaalsContact C-N 3.34Å; F600-E603 CarbonylContact O-C 3.53Å; F600-E603 PolarHBondContact O-N 3.07Å; F600-N606 HydrophobicContact CD2-CB 4.25Å; F600-N606 HydrophobicContact CE2-CB 3.59Å; F600-N606 HydrophobicContact CZ-CB 3.93Å; F600-M607 HydrophobicContact CE1-CG 4.34Å; F600-M607 HydrophobicContact CE1-SD 3.6Å; F600-M607 VanDerWaalsContact CE1-SD 3.6Å; F600-M607 HydrophobicContact CZ-SD 4.35Å; F600-F610 AromaticContact CE1-CD2 3.84Å; F600-F610 HydrophobicContact CE1-CD2 3.84Å; F600-F610 HydrophobicContact CZ-CB 4.19Å; F600-F610 AromaticContact CZ-CD2 3.81Å; F600-F610 HydrophobicContact CZ-CD2 3.81Å; F600-F610 HydrophobicContact CZ-CG 4.45Å
601	L	82.4	Confident	79.1	Confident	0 Å²	0	56.1 Å²	56.1	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-81.4	-12.2	-178.3	-68.2	171.1	0	0	0	113.6	I512 A559 L562 C563 T597 D598 I599 E603 V604 M607	I512-L601 HydrophobicContact CD1-CB 3.41Å; I512-L601 VanDerWaalsContact CD1-CB 3.41Å; I512-L601 HydrophobicContact CD1-CD1 4.07Å; I512-L601 HydrophobicContact CD1-CG 4.42Å; I512-L601 HydrophobicContact CG1-CB 4.1Å; A559-L601 HydrophobicContact CB-CD2 3.8Å; L562-L601 HydrophobicContact CD2-CD2 4.43Å; C563-L601 WeakPolarHBondContact SG-CD1 3.37Å; T597-L601 HydrophobicContact CG2-CD1 3.66Å; T597-L601 WeakPolarHBondContact O-CB 3.49Å; T597-L601 WeakPolarHBondContact O-CD1 3.33Å; T597-L601 VanDerWaalsContact O-CG 3.24Å; T597-L601 WeakPolarHBondContact O-CG 3.1Å; T597-L601 PolarHBondContact O-N 2.86Å; D598-L601 PolarHBondContact O-N 2.95Å; I599-L601 VanDerWaalsContact C-N 3.34Å; I599-L601 PolarHBondContact O-N 3.41Å; L601-E603 VanDerWaalsContact C-N 3.29Å; L601-V604 WeakPolarHBondContact O-CG2 3.5Å; L601-M607 HydrophobicContact CD2-SD 4.35Å
602	Q	81.9	Confident	80.9	Confident	74 Å²	74	58.5 Å²	58.5	35%	0.346	26%	0.257	S	S	.	.	H	α-helix	trans	-64.5	-37.3	164	-80.5	170.9	-7.7	0	0	110.9	D494 K519 D598 I599 F600	D494-Q602 CarbonylContact C-O 3.55Å; D494-Q602 WeakPolarHBondContact CA-O 3.42Å; K519-Q602 PolarHBondContact NZ-O 3.13Å; D598-Q602 VanDerWaalsContact O-CG 3.27Å; D598-Q602 WeakPolarHBondContact O-CG 3.31Å; D598-Q602 PolarHBondContact O-N 2.96Å; I599-Q602 WeakPolarHBondContact O-CB 3.26Å; I599-Q602 PolarHBondContact O-N 3.48Å; F600-Q602 VanDerWaalsContact C-N 3.34Å
603	E	83.9	Confident	82	Confident	93 Å²	93	53.6 Å²	53.6	44%	0.435	24%	0.242	S	C	.	.	S	Bend	trans	-99.2	69.9	174.2	-65.4	-173.8	178.2	0	0	111.7	D494 F600 L601 S605 N606	D494-E603 HydrophobicContact CB-CG 4.48Å; D494-E603 VanDerWaalsContact OD1-C 3.24Å; D494-E603 WeakPolarHBondContact OD1-CA 3.46Å; F600-E603 CarbonylContact O-C 3.53Å; F600-E603 PolarHBondContact O-N 3.07Å; L601-E603 VanDerWaalsContact C-N 3.29Å; E603-S605 PolarHBondContact O-N 3.29Å; E603-N606 VanDerWaalsContact CB-ND2 3.31Å; E603-N606 WeakPolarHBondContact CB-ND2 3.43Å; E603-N606 WeakPolarHBondContact O-CB 3.25Å; E603-N606 PolarHBondContact O-N 3.5Å; E603-N606 PolarHBondContact OE2-ND2 3.41Å
604	V	85.7	Confident	83.4	Confident	0 Å²	0	49 Å²	49	0%	0	23%	0.225	C	C	.	.	G	3₁₀ helix	trans	-57.1	-26.5	-174.3	-177.9	0	0	0	0	112.8	L493 D494 L516 K519 L555 L556 A559 L601 N606 M607	L493-V604 HydrophobicContact CB-CB 4.22Å; L493-V604 HydrophobicContact CD2-CB 4.08Å; L493-V604 HydrophobicContact CD2-CG1 4Å; D494-V604 PolarHBondContact OD1-N 3.09Å; L516-V604 HydrophobicContact CD2-CG2 3.57Å; K519-V604 HydrophobicContact CD-CG2 4.31Å; L555-V604 HydrophobicContact CB-CG1 4.22Å; L556-V604 HydrophobicContact CD2-CB 4.37Å; L556-V604 HydrophobicContact CD2-CG1 3.84Å; L556-V604 HydrophobicContact CD2-CG2 3.93Å; L556-V604 HydrophobicContact CG-CG1 4.22Å; A559-V604 HydrophobicContact CB-CG1 4.28Å; L601-V604 WeakPolarHBondContact O-CG2 3.5Å; V604-N606 PolarHBondContact O-N 3.03Å; V604-N606 VanDerWaalsContact O-N 3.13Å; V604-M607 HydrophobicContact CG1-CG 4.35Å; V604-M607 WeakPolarHBondContact O-CB 3.39Å; V604-M607 WeakPolarHBondContact O-CG 3.32Å; V604-M607 PolarHBondContact O-N 2.87Å
605	S	85.7	Confident	84.5	Confident	17 Å²	17	39 Å²	39	12%	0.119	19%	0.187	C	C	.	.	G	3₁₀ helix	trans	-56.5	-28.1	175.1	-67.4	0	0	0	0	113.2	D494 E603 M607 R608	D494-S605 WeakPolarHBondContact OD1-CB 3.4Å; D494-S605 PolarHBondContact OD1-N 3.35Å; D494-S605 PolarHBondContact OD1-OG 3.48Å; D494-S605 VanDerWaalsContact OD2-CB 3.25Å; D494-S605 WeakPolarHBondContact OD2-CB 3.46Å; D494-S605 PolarHBondContact OD2-OG 2.75Å; E603-S605 PolarHBondContact O-N 3.29Å; S605-M607 PolarHBondContact O-N 3.09Å; S605-R608 WeakPolarHBondContact O-CB 3.46Å; S605-R608 VanDerWaalsContact O-CG 3.31Å; S605-R608 WeakPolarHBondContact O-CG 3.42Å; S605-R608 PolarHBondContact O-N 2.76Å
606	N	86.8	Confident	85.1	Confident	36 Å²	36	36.9 Å²	36.9	19%	0.193	18%	0.182	C	C	.	.	G	3₁₀ helix	trans	-67.4	-17.3	177.5	-67.3	-29.5	0	0	0	113	F600 E603 V604 R608 F609 F610	F600-N606 HydrophobicContact CD2-CB 4.25Å; F600-N606 HydrophobicContact CE2-CB 3.59Å; F600-N606 HydrophobicContact CZ-CB 3.93Å; E603-N606 VanDerWaalsContact CB-ND2 3.31Å; E603-N606 WeakPolarHBondContact CB-ND2 3.43Å; E603-N606 WeakPolarHBondContact O-CB 3.25Å; E603-N606 PolarHBondContact O-N 3.5Å; E603-N606 PolarHBondContact OE2-ND2 3.41Å; V604-N606 PolarHBondContact O-N 3.03Å; V604-N606 VanDerWaalsContact O-N 3.13Å; N606-R608 PolarHBondContact O-N 3.46Å; N606-F609 PolarHBondContact O-N 2.93Å; N606-F610 PolarHBondContact O-N 3.49Å
607	M	86.9	Confident	85.5	Confident	12 Å²	12	36.9 Å²	36.9	6%	0.059	18%	0.184	C	C	.	.	H	α-helix	trans	-56.1	-23.9	172.3	-75.2	-65	-66.7	0	0	112.9	L555 A558 A559 L562 F600 L601 V604 S605 F609 F610 L644	L555-M607 HydrophobicContact CD2-CB 3.63Å; A558-M607 HydrophobicContact CB-CE 3.72Å; A559-M607 HydrophobicContact CB-CG 4.16Å; A559-M607 HydrophobicContact CB-SD 4.44Å; L562-M607 HydrophobicContact CD2-SD 4.27Å; F600-M607 HydrophobicContact CE1-CG 4.34Å; F600-M607 HydrophobicContact CE1-SD 3.6Å; F600-M607 VanDerWaalsContact CE1-SD 3.6Å; F600-M607 HydrophobicContact CZ-SD 4.35Å; L601-M607 HydrophobicContact CD2-SD 4.35Å; V604-M607 HydrophobicContact CG1-CG 4.35Å; V604-M607 WeakPolarHBondContact O-CB 3.39Å; V604-M607 WeakPolarHBondContact O-CG 3.32Å; V604-M607 PolarHBondContact O-N 2.87Å; S605-M607 PolarHBondContact O-N 3.09Å; M607-F609 PolarHBondContact O-N 3.24Å; M607-F610 WeakPolarHBondContact O-CB 3.38Å; M607-F610 PolarHBondContact O-N 3.49Å; M607-F610 HydrophobicContact SD-CB 4.26Å; M607-F610 HydrophobicContact SD-CG 4.35Å; M607-L644 HydrophobicContact CE-CD2 4.36Å
608	R	85.5	Confident	85.9	Confident	49 Å²	49	35 Å²	35	19%	0.185	17%	0.173	C	C	.	.	H	α-helix	trans	-59.2	-34.2	175.7	-66.4	176.9	-176.3	172.9	2.2	112.8	Y486 L555 S605 N606	Y486-R608 PolarHBondContact OH-NH1 3.34Å; L555-R608 HydrophobicContact CD1-CG 3.67Å; L555-R608 VanDerWaalsContact CD1-NE 3.31Å; L555-R608 HydrophobicContact CD2-CB 4.35Å; L555-R608 HydrophobicContact CD2-CG 3.5Å; L555-R608 VanDerWaalsContact CD2-CG 3.5Å; L555-R608 HydrophobicContact CG-CG 4.24Å; S605-R608 WeakPolarHBondContact O-CB 3.46Å; S605-R608 VanDerWaalsContact O-CG 3.31Å; S605-R608 WeakPolarHBondContact O-CG 3.42Å; S605-R608 PolarHBondContact O-N 2.76Å; N606-R608 PolarHBondContact O-N 3.46Å
609	F	87.9	Confident	86.2	Confident	89 Å²	89	33.8 Å²	33.8	39%	0.39	17%	0.169	S	C	.	.	H	α-helix	trans	-97.3	-5.9	-179.2	-53.6	-61.8	0	0	0	112.8	L582 N606 M607 L611 R612 G613	L582-F609 HydrophobicContact CD1-CB 4.39Å; L582-F609 HydrophobicContact CD2-CB 3.73Å; N606-F609 PolarHBondContact O-N 2.93Å; M607-F609 PolarHBondContact O-N 3.24Å; F609-L611 PolarHBondContact O-N 3.26Å; F609-R612 PolarHBondContact O-N 3Å; F609-G613 PolarHBondContact O-N 3.37Å
610	F	90.6	Very high	86.5	Confident	2 Å²	2	35 Å²	35	1%	0.009	18%	0.176	C	C	.	.	H	α-helix	trans	-59.2	-49.5	-174.9	-176.7	-94.6	0	0	0	112.3	L562 I575 T578 M579 L582 F600 N606 M607 R612 G613 F614 L644	L562-F610 HydrophobicContact CD1-CE1 4.42Å; L562-F610 HydrophobicContact CD1-CZ 4.09Å; L562-F610 HydrophobicContact CD2-CE2 4.12Å; L562-F610 HydrophobicContact CD2-CZ 4.07Å; I575-F610 HydrophobicContact CG1-CZ 4.21Å; I575-F610 HydrophobicContact CG2-CE2 4.22Å; I575-F610 HydrophobicContact CG2-CZ 4.11Å; T578-F610 HydrophobicContact CG2-CD2 3.8Å; T578-F610 HydrophobicContact CG2-CE2 3.79Å; T578-F610 HydrophobicContact CG2-CG 4.48Å; T578-F610 HydrophobicContact CG2-CZ 4.45Å; M579-F610 HydrophobicContact CE-CE2 4.19Å; M579-F610 HydrophobicContact CG-CE2 4.2Å; L582-F610 HydrophobicContact CD1-CB 4.46Å; F600-F610 AromaticContact CE1-CD2 3.84Å; F600-F610 HydrophobicContact CE1-CD2 3.84Å; F600-F610 HydrophobicContact CZ-CB 4.19Å; F600-F610 AromaticContact CZ-CD2 3.81Å; F600-F610 HydrophobicContact CZ-CD2 3.81Å; F600-F610 HydrophobicContact CZ-CG 4.45Å; N606-F610 PolarHBondContact O-N 3.49Å; M607-F610 WeakPolarHBondContact O-CB 3.38Å; M607-F610 PolarHBondContact O-N 3.49Å; M607-F610 HydrophobicContact SD-CB 4.26Å; M607-F610 HydrophobicContact SD-CG 4.35Å; F610-R612 VanDerWaalsContact C-N 3.32Å; F610-R612 PolarHBondContact O-N 3.13Å; F610-G613 PolarHBondContact O-N 3.43Å; F610-F614 HydrophobicContact CD1-CB 4.47Å; F610-F614 HydrophobicContact CE1-CB 4.16Å; F610-F614 HydrophobicContact CE1-CD2 4.23Å; F610-F614 HydrophobicContact CE1-CG 4.39Å; F610-F614 HydrophobicContact CZ-CD2 4.18Å; F610-F614 VanDerWaalsContact O-CB 3.26Å; F610-F614 WeakPolarHBondContact O-CB 3.43Å; F610-F614 PolarHBondContact O-N 3.36Å; F610-L644 HydrophobicContact CD1-CD1 4.01Å; F610-L644 HydrophobicContact CE1-CD1 3.77Å
611	L	89.9	Confident	86.4	Confident	12 Å²	12	35.6 Å²	35.6	6%	0.063	18%	0.179	C	C	.	.	H	α-helix	trans	-62	-41.5	-176.3	-174.3	66.7	0	0	0	112	F609 F614 V615 I641 V645 L681 P684 Q685	F609-L611 PolarHBondContact O-N 3.26Å; L611-F614 PolarHBondContact O-N 3.16Å; L611-V615 WeakPolarHBondContact O-CG2 3.29Å; L611-V615 PolarHBondContact O-N 2.99Å; L611-V615 VanDerWaalsContact O-N 3.07Å; L611-I641 HydrophobicContact CD1-CB 4.31Å; L611-I641 HydrophobicContact CD1-CD1 4.41Å; L611-I641 HydrophobicContact CD1-CG1 3.78Å; L611-I641 HydrophobicContact CD1-CG2 3.97Å; L611-V645 HydrophobicContact CD2-CG2 3.84Å; L611-L681 HydrophobicContact CD2-CD1 3.97Å; L611-L681 WeakPolarHBondContact CD2-O 3.24Å; L611-P684 HydrophobicContact CD2-CB 3.98Å; L611-P684 HydrophobicContact CG-CB 3.75Å; L611-P684 HydrophobicContact CG-CG 4.42Å; L611-Q685 HydrophobicContact CD2-CG 4.38Å
612	R	89.2	Confident	86.3	Confident	136 Å²	136	35.9 Å²	35.9	51%	0.513	18%	0.181	S	C	.	.	H	α-helix	trans	-63	-47.1	175.6	-179.4	178.9	171.8	-173.1	-1.5	111.7	F609 F610 F614 C616 P684	F609-R612 PolarHBondContact O-N 3Å; F610-R612 VanDerWaalsContact C-N 3.32Å; F610-R612 PolarHBondContact O-N 3.13Å; R612-F614 VanDerWaalsContact C-N 3.3Å; R612-F614 PolarHBondContact O-N 2.85Å; R612-C616 PolarHBondContact O-N 3.32Å; R612-C616 PolarHBondContact O-SG 2.85Å; R612-P684 HydrophobicContact CB-CG 3.84Å; R612-P684 HydrophobicContact CG-CG 4.41Å
613	G	86.5	Confident	86.1	Confident	14 Å²	14	39.2 Å²	39.2	14%	0.144	20%	0.196	C	C	.	.	H	α-helix	trans	-62.6	-38.8	176.4	0	0	0	0	0	112.2	T578 F609 F610 C616 A617	T578-G613 VanDerWaalsContact CG2-C 3.48Å; F609-G613 PolarHBondContact O-N 3.37Å; F610-G613 PolarHBondContact O-N 3.43Å; G613-C616 PolarHBondContact O-N 3.36Å; G613-A617 WeakPolarHBondContact O-CB 3.47Å; G613-A617 PolarHBondContact O-N 3.03Å
614	F	91.4	Very high	85.8	Confident	0 Å²	0	42.1 Å²	42.1	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-63.2	-48.1	-179.7	-179.1	-91.6	0	0	0	112	I571 I574 I575 T578 F610 L611 R612 C616 A617 E618 L640 I641	I571-F614 HydrophobicContact CG2-CE2 4.41Å; I571-F614 HydrophobicContact CG2-CZ 4.49Å; I574-F614 HydrophobicContact CB-CE2 4.12Å; I574-F614 HydrophobicContact CG2-CD2 3.75Å; I574-F614 HydrophobicContact CG2-CE2 3.49Å; I574-F614 VanDerWaalsContact CG2-CE2 3.49Å; I574-F614 HydrophobicContact CG2-CG 4.49Å; I574-F614 HydrophobicContact CG2-CZ 4.05Å; I575-F614 HydrophobicContact CG1-CD2 4.36Å; I575-F614 HydrophobicContact CG1-CE2 4.06Å; T578-F614 HydrophobicContact CG2-CB 4.21Å; T578-F614 VanDerWaalsContact CG2-N 3.34Å; T578-F614 VanDerWaalsContact OG1-CA 3.31Å; T578-F614 WeakPolarHBondContact OG1-CA 3.42Å; F610-F614 HydrophobicContact CD1-CB 4.47Å; F610-F614 HydrophobicContact CE1-CB 4.16Å; F610-F614 HydrophobicContact CE1-CD2 4.23Å; F610-F614 HydrophobicContact CE1-CG 4.39Å; F610-F614 HydrophobicContact CZ-CD2 4.18Å; F610-F614 VanDerWaalsContact O-CB 3.26Å; F610-F614 WeakPolarHBondContact O-CB 3.43Å; F610-F614 PolarHBondContact O-N 3.36Å; L611-F614 PolarHBondContact O-N 3.16Å; R612-F614 VanDerWaalsContact C-N 3.3Å; R612-F614 PolarHBondContact O-N 2.85Å; F614-C616 VanDerWaalsContact C-N 3.29Å; F614-C616 PolarHBondContact O-N 3.45Å; F614-A617 PolarHBondContact O-N 3.44Å; F614-E618 VanDerWaalsContact O-CB 3.26Å; F614-E618 WeakPolarHBondContact O-CB 3.17Å; F614-E618 PolarHBondContact O-N 3.35Å; F614-L640 HydrophobicContact CD2-CD2 4.32Å; F614-L640 HydrophobicContact CE1-CD2 4.37Å; F614-L640 HydrophobicContact CE2-CD2 3.62Å; F614-L640 HydrophobicContact CZ-CD2 3.66Å; F614-I641 HydrophobicContact CD1-CD1 4.13Å; F614-I641 HydrophobicContact CD1-CG1 4.15Å; F614-I641 HydrophobicContact CE1-CD1 4.01Å; F614-I641 HydrophobicContact CE1-CG1 4.06Å
615	V	88.8	Confident	85.2	Confident	3 Å²	3	44.4 Å²	44.4	2%	0.018	22%	0.22	C	C	.	.	H	α-helix	trans	-67.2	-32.5	179.4	177	0	0	0	0	111.7	L611 S619 I641 P684 Q687 H688 L691	L611-V615 WeakPolarHBondContact O-CG2 3.29Å; L611-V615 PolarHBondContact O-N 2.99Å; L611-V615 VanDerWaalsContact O-N 3.07Å; V615-S619 WeakPolarHBondContact O-CB 3.36Å; V615-S619 PolarHBondContact O-N 3.47Å; V615-I641 HydrophobicContact CG2-CD1 4.09Å; V615-P684 HydrophobicContact CB-CB 4.47Å; V615-P684 HydrophobicContact CG2-CB 4.03Å; V615-Q687 HydrophobicContact CG1-CB 3.68Å; V615-H688 HydrophobicContact CG1-CB 4.15Å; V615-H688 HydrophobicContact CG2-CB 3.98Å; V615-L691 HydrophobicContact CG1-CD1 4.37Å
616	C	87.4	Confident	84.6	Confident	55 Å²	55	51.7 Å²	51.7	37%	0.372	25%	0.249	S	C	.	.	H	α-helix	trans	-65.8	-50.1	172.7	-63	0	0	0	0	111.1	R612 G613 F614 E618 S619 D620	R612-C616 PolarHBondContact O-N 3.32Å; R612-C616 PolarHBondContact O-SG 2.85Å; G613-C616 PolarHBondContact O-N 3.36Å; F614-C616 VanDerWaalsContact C-N 3.29Å; F614-C616 PolarHBondContact O-N 3.45Å; C616-E618 VanDerWaalsContact C-N 3.3Å; C616-E618 PolarHBondContact O-N 3.5Å; C616-S619 WeakPolarHBondContact O-CB 3.41Å; C616-S619 PolarHBondContact O-N 3.22Å; C616-D620 PolarHBondContact O-N 3.46Å
617	A	85.6	Confident	83.7	Confident	8 Å²	8	53.9 Å²	53.9	7%	0.066	26%	0.261	C	S	.	.	H	α-helix	trans	-64	-35.6	178.5	0	0	0	0	0	112.4	I574 M577 T578 G613 F614 D620 M621	I574-A617 HydrophobicContact CG2-CB 3.96Å; M577-A617 HydrophobicContact CB-CB 4.38Å; T578-A617 WeakPolarHBondContact OG1-CB 3.21Å; G613-A617 WeakPolarHBondContact O-CB 3.47Å; G613-A617 PolarHBondContact O-N 3.03Å; F614-A617 PolarHBondContact O-N 3.44Å; A617-D620 PolarHBondContact O-N 2.88Å; A617-M621 WeakPolarHBondContact O-CB 3.34Å; A617-M621 VanDerWaalsContact O-CG 3.25Å; A617-M621 WeakPolarHBondContact O-CG 3.38Å; A617-M621 PolarHBondContact O-N 3.48Å
618	E	86.8	Confident	82.7	Confident	0 Å²	0	55.3 Å²	55.3	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-62.3	-47.7	172.8	177.9	-175.8	-147.8	0	0	111	I574 F614 C616 D620 M621 L622 S637 H688	I574-E618 HydrophobicContact CG2-CB 4.33Å; F614-E618 VanDerWaalsContact O-CB 3.26Å; F614-E618 WeakPolarHBondContact O-CB 3.17Å; F614-E618 PolarHBondContact O-N 3.35Å; C616-E618 VanDerWaalsContact C-N 3.3Å; C616-E618 PolarHBondContact O-N 3.5Å; E618-D620 VanDerWaalsContact C-N 3.33Å; E618-D620 PolarHBondContact O-N 3.42Å; E618-M621 PolarHBondContact O-N 3.3Å; E618-L622 HydrophobicContact CG-CD1 3.71Å; E618-L622 HydrophobicContact CG-CG 4.1Å; E618-L622 VanDerWaalsContact O-CB 3.31Å; E618-L622 WeakPolarHBondContact O-CB 3.49Å; E618-L622 WeakPolarHBondContact O-CG 3.48Å; E618-L622 PolarHBondContact O-N 2.78Å; E618-S637 WeakPolarHBondContact OE1-CB 3.35Å; E618-S637 PolarHBondContact OE1-OG 3.49Å; E618-H688 IonicContact OE1-CE1 3.89Å; E618-H688 PolarHBondContact OE1-CE1 3.46Å; E618-H688 IonicContact OE1-ND1 2.66Å; E618-H688 PolarHBondContact OE1-ND1 3.04Å; E618-H688 IonicContact OE2-CE1 3.34Å; E618-H688 PolarHBondContact OE2-CE1 3.05Å; E618-H688 IonicContact OE2-CG 2.92Å; E618-H688 IonicContact OE2-ND1 3.32Å; E618-H688 PolarHBondContact OE2-ND1 3.4Å
619	S	85.3	Confident	82.1	Confident	38 Å²	38	58.3 Å²	58.3	27%	0.266	30%	0.295	S	S	.	.	H	α-helix	trans	-56.9	-48	176.6	-171	0	0	0	0	111.2	V615 C616 L622 E623	V615-S619 WeakPolarHBondContact O-CB 3.36Å; V615-S619 PolarHBondContact O-N 3.47Å; C616-S619 WeakPolarHBondContact O-CB 3.41Å; C616-S619 PolarHBondContact O-N 3.22Å; S619-L622 PolarHBondContact O-N 2.75Å; S619-E623 PolarHBondContact O-N 3.38Å
620	D	85.3	Confident	81.7	Confident	98 Å²	98	56.6 Å²	56.6	52%	0.524	29%	0.286	S	S	.	.	H	α-helix	trans	-63.3	-43	-179.2	-65.4	-20	0	0	0	111.5	C616 A617 E618 E623	C616-D620 PolarHBondContact O-N 3.46Å; A617-D620 PolarHBondContact O-N 2.88Å; E618-D620 VanDerWaalsContact C-N 3.33Å; E618-D620 PolarHBondContact O-N 3.42Å; D620-E623 PolarHBondContact O-N 3.39Å
621	M	80.7	Confident	81	Confident	11 Å²	11	57 Å²	57	5%	0.054	29%	0.288	C	S	.	.	H	α-helix	trans	-71.7	-38.2	179.9	-74.2	-72.1	-88.7	0	0	112.5	E573 I574 M577 A617 E618 E623 E624 F625	E573-M621 HydrophobicContact CB-CE 4.43Å; E573-M621 HydrophobicContact CG-CE 3.85Å; I574-M621 HydrophobicContact CG1-CB 4.22Å; I574-M621 HydrophobicContact CG1-CG 4.1Å; M577-M621 HydrophobicContact CE-CG 3.91Å; M577-M621 HydrophobicContact CE-SD 3.91Å; M577-M621 HydrophobicContact SD-CE 3.84Å; M577-M621 HydrophobicContact SD-CG 3.69Å; M577-M621 HydrophobicContact SD-SD 3.44Å; A617-M621 WeakPolarHBondContact O-CB 3.34Å; A617-M621 VanDerWaalsContact O-CG 3.25Å; A617-M621 WeakPolarHBondContact O-CG 3.38Å; A617-M621 PolarHBondContact O-N 3.48Å; E618-M621 PolarHBondContact O-N 3.3Å; M621-E623 PolarHBondContact O-N 2.76Å; M621-E624 PolarHBondContact O-N 3.11Å; M621-F625 WeakPolarHBondContact O-CD2 3.34Å
622	L	79.8	Confident	80.5	Confident	7 Å²	7	61 Å²	61	4%	0.037	31%	0.309	C	S	.	.	H	α-helix	trans	-60.5	-28.8	178.6	-77.5	174	0	0	0	112.1	E618 S619 E624 F625 R630 I633 L691	E618-L622 HydrophobicContact CG-CD1 3.71Å; E618-L622 HydrophobicContact CG-CG 4.1Å; E618-L622 VanDerWaalsContact O-CB 3.31Å; E618-L622 WeakPolarHBondContact O-CB 3.49Å; E618-L622 WeakPolarHBondContact O-CG 3.48Å; E618-L622 PolarHBondContact O-N 2.78Å; S619-L622 PolarHBondContact O-N 2.75Å; L622-E624 PolarHBondContact O-N 3.27Å; L622-F625 PolarHBondContact O-N 3.35Å; L622-R630 HydrophobicContact CD2-CB 3.92Å; L622-R630 HydrophobicContact CD2-CG 4.09Å; L622-R630 WeakPolarHBondContact O-CD 3.49Å; L622-R630 PolarHBondContact O-NE 2.98Å; L622-R630 PolarHBondContact O-NH2 3.32Å; L622-I633 HydrophobicContact CD2-CB 4.14Å; L622-I633 HydrophobicContact CD2-CG2 4.06Å; L622-L691 HydrophobicContact CD1-CD1 4.46Å
623	E	77.8	Confident	80.2	Confident	143 Å²	143	54.8 Å²	54.8	67%	0.668	29%	0.286	S	S	*	.	H	α-helix	trans	-60.9	-30.5	175.2	-69	-170.3	173.4	0	0	112.9	S619 D620 M621 R630	S619-E623 PolarHBondContact O-N 3.38Å; D620-E623 PolarHBondContact O-N 3.39Å; M621-E623 PolarHBondContact O-N 2.76Å; E623-R630 PolarHBondContact O-NH2 3.39Å
624	E	77.8	Confident	80.1	Confident	155 Å²	155	54.1 Å²	54.1	72%	0.724	28%	0.279	S	S	*	.	H	α-helix	trans	-80	-26.5	-175.4	-57.2	-166.5	163.2	0	0	114.1	M621 L622	M621-E624 PolarHBondContact O-N 3.11Å; L622-E624 PolarHBondContact O-N 3.27Å
625	F	74.4	Confident	79.7	Confident	48 Å²	48	56.4 Å²	56.4	21%	0.211	29%	0.291	C	S	.	.	S	Bend	trans	-88	163.6	-175	-67.3	-81.4	0	0	0	113.3	I570 M621 L622 E629 R630 I633	I570-F625 HydrophobicContact CD1-CE1 4.4Å; I570-F625 HydrophobicContact CG2-CE2 4.32Å; I570-F625 HydrophobicContact CG2-CZ 4.16Å; M621-F625 WeakPolarHBondContact O-CD2 3.34Å; L622-F625 PolarHBondContact O-N 3.35Å; F625-E629 HydrophobicContact CB-CB 4.39Å; F625-E629 HydrophobicContact CD1-CB 4.45Å; F625-R630 HydrophobicContact CB-CG 3.92Å; F625-R630 PolarHBondContact O-NE 3.22Å; F625-R630 PolarHBondContact O-NH2 2.94Å; F625-R630 VanDerWaalsContact O-NH2 3.15Å; F625-I633 HydrophobicContact CB-CD1 4.45Å; F625-I633 HydrophobicContact CD1-CD1 4.21Å; F625-I633 HydrophobicContact CD2-CD1 3.69Å; F625-I633 HydrophobicContact CE1-CD1 4.42Å; F625-I633 HydrophobicContact CE2-CD1 3.96Å; F625-I633 HydrophobicContact CG-CD1 3.85Å; F625-I633 HydrophobicContact CZ-CD1 4.32Å
626	K	72	Confident	79.4	Confident	169 Å²	169	57.2 Å²	57.2	74%	0.735	30%	0.296	S	S	*	.			trans	-82.8	151.5	171.4	-64.5	178.8	-176.5	171.9	0	111	G628 E629 R630	K626-G628 PolarHBondContact O-N 3.11Å; K626-E629 PolarHBondContact O-N 2.61Å; K626-R630 PolarHBondContact O-N 3.45Å; K626-R630 VanDerWaalsContact O-N 3.16Å
627	N	67.8	Low	79.4	Confident	82 Å²	82	54.6 Å²	54.6	44%	0.439	28%	0.278	S	S	.	.	H	α-helix	trans	-46.7	-33.6	-174	-58.5	20.9	0	0	0	115.3
628	G	66	Low	79.4	Confident	42 Å²	42	54.4 Å²	54.4	43%	0.433	28%	0.276	S	S	.	.	H	α-helix	trans	-71.1	-35.9	-179.9	0	0	0	0	0	114.7	K626	K626-G628 PolarHBondContact O-N 3.11Å
629	E	73.9	Confident	79.3	Confident	112 Å²	112	59 Å²	59	52%	0.523	30%	0.298	S	S	.	.	H	α-helix	trans	-83.1	-35.9	178.9	-71.4	167.4	176	0	0	110.7	F625 K626 L631 L632 I633	F625-E629 HydrophobicContact CB-CB 4.39Å; F625-E629 HydrophobicContact CD1-CB 4.45Å; K626-E629 PolarHBondContact O-N 2.61Å; E629-L631 PolarHBondContact O-N 3.36Å; E629-L632 PolarHBondContact O-N 2.85Å; E629-L632 VanDerWaalsContact O-N 3.08Å; E629-I633 WeakPolarHBondContact O-CG1 3.16Å; E629-I633 PolarHBondContact O-N 3.22Å; E629-I633 VanDerWaalsContact O-N 3.1Å
630	R	78.8	Confident	79.4	Confident	54 Å²	54	57.2 Å²	57.2	20%	0.204	29%	0.285	C	S	.	.	H	α-helix	trans	-50	-44.3	173.8	-69.2	-174.1	-169.9	-161.8	-11.6	112.7	L622 E623 F625 K626 L632 I633 W634 E695	L622-R630 HydrophobicContact CD2-CB 3.92Å; L622-R630 HydrophobicContact CD2-CG 4.09Å; L622-R630 WeakPolarHBondContact O-CD 3.49Å; L622-R630 PolarHBondContact O-NE 2.98Å; L622-R630 PolarHBondContact O-NH2 3.32Å; E623-R630 PolarHBondContact O-NH2 3.39Å; F625-R630 HydrophobicContact CB-CG 3.92Å; F625-R630 PolarHBondContact O-NE 3.22Å; F625-R630 PolarHBondContact O-NH2 2.94Å; F625-R630 VanDerWaalsContact O-NH2 3.15Å; K626-R630 PolarHBondContact O-N 3.45Å; K626-R630 VanDerWaalsContact O-N 3.16Å; R630-L632 PolarHBondContact O-N 2.98Å; R630-I633 PolarHBondContact O-N 2.92Å; R630-W634 WeakPolarHBondContact O-CB 3.49Å; R630-W634 PolarHBondContact O-N 3.13Å; R630-E695 WeakPolarHBondContact CD-OE1 3.43Å; R630-E695 IonicContact NH1-OE1 2.98Å; R630-E695 PolarHBondContact NH1-OE1 2.93Å; R630-E695 VanDerWaalsContact NH1-OE1 3.16Å
631	L	75.2	Confident	79.6	Confident	11 Å²	11	52.5 Å²	52.5	6%	0.058	26%	0.26	C	S	.	.	H	α-helix	trans	-59.2	-47.7	178.8	173.5	59.2	0	0	0	112.9	E629 I633 W634 L635 K704 L708	E629-L631 PolarHBondContact O-N 3.36Å; L631-I633 VanDerWaalsContact C-N 3.31Å; L631-I633 PolarHBondContact O-N 2.85Å; L631-W634 PolarHBondContact O-N 3.21Å; L631-L635 HydrophobicContact CD1-CD1 3.93Å; L631-L635 HydrophobicContact CD1-CG 4.05Å; L631-L635 HydrophobicContact CG-CD1 4.05Å; L631-L635 WeakPolarHBondContact O-CB 3.41Å; L631-L635 WeakPolarHBondContact O-CG 3.45Å; L631-L635 PolarHBondContact O-N 2.77Å; L631-K704 HydrophobicContact CD2-CB 3.71Å; L631-K704 HydrophobicContact CD2-CD 3.63Å; L631-K704 HydrophobicContact CD2-CG 3.82Å; L631-L708 HydrophobicContact CD1-CD1 3.6Å; L631-L708 HydrophobicContact CD1-CD2 3.08Å; L631-L708 HydrophobicContact CD1-CG 3.31Å
632	L	79.6	Confident	80	Confident	96 Å²	96	53.2 Å²	53.2	50%	0.503	26%	0.264	S	S	.	.	H	α-helix	trans	-66.3	-38.6	-178	-177.5	65.1	0	0	0	111	E629 R630 T636	E629-L632 PolarHBondContact O-N 2.85Å; E629-L632 VanDerWaalsContact O-N 3.08Å; R630-L632 PolarHBondContact O-N 2.98Å; L632-T636 WeakPolarHBondContact O-CG2 3.29Å; L632-T636 PolarHBondContact O-N 3.06Å; L632-T636 PolarHBondContact O-OG1 3.4Å
633	I	82.2	Confident	80.3	Confident	4 Å²	4	56.2 Å²	56.2	2%	0.021	28%	0.277	C	S	.	.	H	α-helix	trans	-63.5	-49.3	175.7	-62.5	163	0	0	0	109.5	I570 I574 L622 F625 E629 R630 L631 L635 T636 S637	I570-I633 HydrophobicContact CD1-CD1 4.06Å; I570-I633 HydrophobicContact CD1-CG1 4.11Å; I570-I633 HydrophobicContact CG2-CD1 3.84Å; I570-I633 HydrophobicContact CG2-CG1 3.94Å; I570-I633 HydrophobicContact CG2-CG2 4.32Å; I574-I633 HydrophobicContact CD1-CG2 3.89Å; L622-I633 HydrophobicContact CD2-CB 4.14Å; L622-I633 HydrophobicContact CD2-CG2 4.06Å; F625-I633 HydrophobicContact CB-CD1 4.45Å; F625-I633 HydrophobicContact CD1-CD1 4.21Å; F625-I633 HydrophobicContact CD2-CD1 3.69Å; F625-I633 HydrophobicContact CE1-CD1 4.42Å; F625-I633 HydrophobicContact CE2-CD1 3.96Å; F625-I633 HydrophobicContact CG-CD1 3.85Å; F625-I633 HydrophobicContact CZ-CD1 4.32Å; E629-I633 WeakPolarHBondContact O-CG1 3.16Å; E629-I633 PolarHBondContact O-N 3.22Å; E629-I633 VanDerWaalsContact O-N 3.1Å; R630-I633 PolarHBondContact O-N 2.92Å; L631-I633 VanDerWaalsContact C-N 3.31Å; L631-I633 PolarHBondContact O-N 2.85Å; I633-L635 PolarHBondContact O-N 3.49Å; I633-T636 PolarHBondContact O-N 3.03Å; I633-T636 PolarHBondContact O-OG1 3.07Å; I633-S637 WeakPolarHBondContact O-CB 3.34Å; I633-S637 PolarHBondContact O-N 2.87Å; I633-S637 PolarHBondContact O-OG 2.68Å; I633-S637 VanDerWaalsContact O-OG 3.13Å
634	W	85.3	Confident	80.8	Confident	1 Å²	1	49.7 Å²	49.7	0%	0.004	25%	0.246	C	C	.	.	H	α-helix	trans	-61.7	-41.9	-179.9	-176.4	84	0	0	0	112.8	R630 L631 T636 S637 T638 H688 L708 A711 L712	R630-W634 WeakPolarHBondContact O-CB 3.49Å; R630-W634 PolarHBondContact O-N 3.13Å; L631-W634 PolarHBondContact O-N 3.21Å; W634-T636 VanDerWaalsContact C-N 3.31Å; W634-T636 PolarHBondContact O-N 3Å; W634-S637 WeakPolarHBondContact O-CB 3.33Å; W634-S637 PolarHBondContact O-N 3.01Å; W634-T638 HydrophobicContact CH2-CG2 4.24Å; W634-T638 WeakPolarHBondContact CH2-OG1 3.39Å; W634-T638 VanDerWaalsContact CZ2-OG1 3.25Å; W634-T638 WeakPolarHBondContact CZ2-OG1 3.33Å; W634-T638 WeakPolarHBondContact CZ3-OG1 3.41Å; W634-T638 WeakPolarHBondContact O-CB 3.31Å; W634-T638 PolarHBondContact O-N 3.19Å; W634-T638 PolarHBondContact O-OG1 3.47Å; W634-H688 AromaticContact CD1-CE1 3.53Å; W634-H688 AromaticContact CE2-CE1 3.82Å; W634-H688 AromaticContact CE2-NE2 3.58Å; W634-H688 AromaticContact CZ2-NE2 3.69Å; W634-H688 AromaticContact NE1-CD2 3.93Å; W634-H688 AromaticContact NE1-CE1 3.26Å; W634-H688 PolarHBondContact NE1-CE1 3.02Å; W634-H688 VanDerWaalsContact NE1-CE1 3.26Å; W634-H688 AromaticContact NE1-ND1 3.69Å; W634-H688 AromaticContact NE1-NE2 3.44Å; W634-H688 PolarHBondContact NE1-NE2 3.3Å; W634-H688 PolarHBondContact NE1-O 3.41Å; W634-H688 VanDerWaalsContact NE1-O 3.08Å; W634-L708 HydrophobicContact CE3-CD2 3.55Å; W634-L708 HydrophobicContact CZ3-CD2 3.67Å; W634-A711 HydrophobicContact CZ3-CB 4.21Å; W634-L712 HydrophobicContact CH2-CB 4.41Å; W634-L712 HydrophobicContact CH2-CD1 4.27Å; W634-L712 HydrophobicContact CH2-CD2 3.22Å; W634-L712 HydrophobicContact CH2-CG 3.31Å; W634-L712 HydrophobicContact CZ2-CD2 3.3Å; W634-L712 HydrophobicContact CZ2-CG 3.93Å; W634-L712 HydrophobicContact CZ3-CD2 4.33Å; W634-L712 HydrophobicContact CZ3-CG 4.04Å
635	L	83.6	Confident	81.3	Confident	47 Å²	47	42.4 Å²	42.4	25%	0.246	21%	0.212	C	C	.	.	H	α-helix	trans	-62	-39.5	177.4	-76	171.3	0	0	0	112.3	L631 I633 T638 E639 L708 A711	L631-L635 HydrophobicContact CD1-CD1 3.93Å; L631-L635 HydrophobicContact CD1-CG 4.05Å; L631-L635 HydrophobicContact CG-CD1 4.05Å; L631-L635 WeakPolarHBondContact O-CB 3.41Å; L631-L635 WeakPolarHBondContact O-CG 3.45Å; L631-L635 PolarHBondContact O-N 2.77Å; I633-L635 PolarHBondContact O-N 3.49Å; L635-T638 WeakPolarHBondContact O-CB 3.47Å; L635-T638 PolarHBondContact O-N 3.09Å; L635-E639 PolarHBondContact O-N 3.24Å; L635-L708 HydrophobicContact CD2-CD2 4.35Å; L635-A711 HydrophobicContact CD2-CB 3.35Å
636	T	82.7	Confident	81.9	Confident	20 Å²	20	42.4 Å²	42.4	12%	0.123	22%	0.216	C	C	.	.	H	α-helix	trans	-78.8	-34.3	-179.9	53.8	0	0	0	0	112.3	I571 L632 I633 W634 T638 E639 L640	I571-T636 HydrophobicContact CD1-CG2 4.35Å; I571-T636 WeakPolarHBondContact CD1-OG1 3.17Å; L632-T636 WeakPolarHBondContact O-CG2 3.29Å; L632-T636 PolarHBondContact O-N 3.06Å; L632-T636 PolarHBondContact O-OG1 3.4Å; I633-T636 PolarHBondContact O-N 3.03Å; I633-T636 PolarHBondContact O-OG1 3.07Å; W634-T636 VanDerWaalsContact C-N 3.31Å; W634-T636 PolarHBondContact O-N 3Å; T636-T638 VanDerWaalsContact C-N 3.3Å; T636-T638 PolarHBondContact O-N 3.07Å; T636-E639 PolarHBondContact O-N 3.21Å; T636-L640 PolarHBondContact O-N 3.24Å
637	S	86.5	Confident	82.4	Confident	0 Å²	0	34.4 Å²	34.4	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-57.8	-41.8	164.8	-68	0	0	0	0	112.1	E618 I633 W634 E639 L640 I641	E618-S637 WeakPolarHBondContact OE1-CB 3.35Å; E618-S637 PolarHBondContact OE1-OG 3.49Å; I633-S637 WeakPolarHBondContact O-CB 3.34Å; I633-S637 PolarHBondContact O-N 2.87Å; I633-S637 PolarHBondContact O-OG 2.68Å; I633-S637 VanDerWaalsContact O-OG 3.13Å; W634-S637 WeakPolarHBondContact O-CB 3.33Å; W634-S637 PolarHBondContact O-N 3.01Å; S637-E639 VanDerWaalsContact C-N 3.31Å; S637-E639 PolarHBondContact O-N 2.94Å; S637-L640 PolarHBondContact O-N 2.82Å; S637-I641 WeakPolarHBondContact O-CB 3.41Å; S637-I641 VanDerWaalsContact O-CG1 3.3Å; S637-I641 WeakPolarHBondContact O-CG1 3.49Å; S637-I641 PolarHBondContact O-N 3.23Å
638	T	86.1	Confident	83.2	Confident	4 Å²	4	31.9 Å²	31.9	3%	0.025	17%	0.167	C	C	.	.	H	α-helix	trans	-59.4	-42.8	176.3	-61.7	0	0	0	0	111	W634 L635 T636 N642 H688 L715	W634-T638 HydrophobicContact CH2-CG2 4.24Å; W634-T638 WeakPolarHBondContact CH2-OG1 3.39Å; W634-T638 VanDerWaalsContact CZ2-OG1 3.25Å; W634-T638 WeakPolarHBondContact CZ2-OG1 3.33Å; W634-T638 WeakPolarHBondContact CZ3-OG1 3.41Å; W634-T638 WeakPolarHBondContact O-CB 3.31Å; W634-T638 PolarHBondContact O-N 3.19Å; W634-T638 PolarHBondContact O-OG1 3.47Å; L635-T638 WeakPolarHBondContact O-CB 3.47Å; L635-T638 PolarHBondContact O-N 3.09Å; T636-T638 VanDerWaalsContact C-N 3.3Å; T636-T638 PolarHBondContact O-N 3.07Å; T638-N642 WeakPolarHBondContact CG2-ND2 3.25Å; T638-N642 WeakPolarHBondContact O-CB 3.39Å; T638-N642 VanDerWaalsContact O-CG 3.26Å; T638-N642 PolarHBondContact O-N 3.19Å; T638-N642 PolarHBondContact O-ND2 3.21Å; T638-H688 WeakPolarHBondContact CA-NE2 2.93Å; T638-H688 PolarHBondContact OG1-NE2 3.19Å; T638-L715 HydrophobicContact CG2-CB 4.46Å; T638-L715 HydrophobicContact CG2-CD1 3.92Å
639	E	84.7	Confident	83.9	Confident	97 Å²	97	31 Å²	31	45%	0.453	15%	0.151	S	C	.	.	H	α-helix	trans	-63	-45.7	176.4	-169.7	-173.8	162.9	0	0	111.6	L635 T636 S637 N642 K643	L635-E639 PolarHBondContact O-N 3.24Å; T636-E639 PolarHBondContact O-N 3.21Å; S637-E639 VanDerWaalsContact C-N 3.31Å; S637-E639 PolarHBondContact O-N 2.94Å; E639-N642 PolarHBondContact O-N 2.84Å; E639-K643 WeakPolarHBondContact O-CG 3.17Å; E639-K643 PolarHBondContact O-N 3.16Å; E639-K643 VanDerWaalsContact OE1-CE 3.26Å; E639-K643 WeakPolarHBondContact OE1-CE 3.35Å; E639-K643 IonicContact OE1-NZ 2.63Å; E639-K643 PolarHBondContact OE1-NZ 3.44Å
640	L	87.7	Confident	83.9	Confident	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-59.8	-53.1	176.7	171.8	62.7	0	0	0	111.4	L562 W567 I571 I575 F614 T636 S637 N642 K643 L644	L562-L640 HydrophobicContact CD1-CD1 4.43Å; W567-L640 HydrophobicContact CD2-CD1 4.29Å; W567-L640 HydrophobicContact CE3-CB 4.36Å; W567-L640 HydrophobicContact CE3-CD1 4.47Å; W567-L640 HydrophobicContact CH2-CB 3.88Å; W567-L640 HydrophobicContact CH2-CD1 3.48Å; W567-L640 VanDerWaalsContact CH2-CD1 3.48Å; W567-L640 HydrophobicContact CH2-CG 4.27Å; W567-L640 HydrophobicContact CZ2-CD1 3.26Å; W567-L640 HydrophobicContact CZ2-CG 4.41Å; W567-L640 HydrophobicContact CZ3-CB 3.81Å; W567-L640 HydrophobicContact CZ3-CD1 4.11Å; W567-L640 HydrophobicContact CZ3-CG 4.5Å; I571-L640 HydrophobicContact CG2-CD2 3.85Å; I575-L640 HydrophobicContact CD1-CD2 4.15Å; I575-L640 HydrophobicContact CG1-CD2 4.3Å; F614-L640 HydrophobicContact CD2-CD2 4.32Å; F614-L640 HydrophobicContact CE1-CD2 4.37Å; F614-L640 HydrophobicContact CE2-CD2 3.62Å; F614-L640 HydrophobicContact CZ-CD2 3.66Å; T636-L640 PolarHBondContact O-N 3.24Å; S637-L640 PolarHBondContact O-N 2.82Å; L640-N642 VanDerWaalsContact C-N 3.26Å; L640-N642 PolarHBondContact O-N 2.91Å; L640-K643 PolarHBondContact O-N 2.97Å; L640-L644 HydrophobicContact CD1-CD1 3.79Å; L640-L644 HydrophobicContact CD1-CD2 4.42Å; L640-L644 HydrophobicContact CD1-CG 3.91Å; L640-L644 HydrophobicContact CG-CD1 3.9Å; L640-L644 HydrophobicContact CG-CG 4.38Å; L640-L644 WeakPolarHBondContact O-CG 3.34Å; L640-L644 PolarHBondContact O-N 2.93Å
641	I	89.5	Confident	83.5	Confident	0 Å²	0	29.8 Å²	29.8	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-57.1	-44	179	-69.8	171.2	0	0	0	110.2	L611 F614 V615 S637 K643 L644 V645 Q685 H688 L715	L611-I641 HydrophobicContact CD1-CB 4.31Å; L611-I641 HydrophobicContact CD1-CD1 4.41Å; L611-I641 HydrophobicContact CD1-CG1 3.78Å; L611-I641 HydrophobicContact CD1-CG2 3.97Å; F614-I641 HydrophobicContact CD1-CD1 4.13Å; F614-I641 HydrophobicContact CD1-CG1 4.15Å; F614-I641 HydrophobicContact CE1-CD1 4.01Å; F614-I641 HydrophobicContact CE1-CG1 4.06Å; V615-I641 HydrophobicContact CG2-CD1 4.09Å; S637-I641 WeakPolarHBondContact O-CB 3.41Å; S637-I641 VanDerWaalsContact O-CG1 3.3Å; S637-I641 WeakPolarHBondContact O-CG1 3.49Å; S637-I641 PolarHBondContact O-N 3.23Å; I641-K643 VanDerWaalsContact C-N 3.3Å; I641-K643 PolarHBondContact O-N 3.21Å; I641-L644 PolarHBondContact O-N 2.89Å; I641-V645 HydrophobicContact CG2-CG2 4.03Å; I641-V645 WeakPolarHBondContact O-CB 3.26Å; I641-V645 WeakPolarHBondContact O-CG2 3.18Å; I641-V645 PolarHBondContact O-N 2.91Å; I641-Q685 HydrophobicContact CG2-CG 4.19Å; I641-H688 HydrophobicContact CD1-CB 3.92Å; I641-H688 WeakPolarHBondContact CD1-ND1 3.33Å; I641-L715 HydrophobicContact CG2-CD1 4.46Å
642	N	87.7	Confident	83.5	Confident	26 Å²	26	30 Å²	30	14%	0.139	16%	0.159	C	C	.	.	H	α-helix	trans	-63.6	-33.7	178.6	-83.2	-38.3	0	0	0	113.3	T638 E639 L640 V646 R718	T638-N642 WeakPolarHBondContact CG2-ND2 3.25Å; T638-N642 WeakPolarHBondContact O-CB 3.39Å; T638-N642 VanDerWaalsContact O-CG 3.26Å; T638-N642 PolarHBondContact O-N 3.19Å; T638-N642 PolarHBondContact O-ND2 3.21Å; E639-N642 PolarHBondContact O-N 2.84Å; L640-N642 VanDerWaalsContact C-N 3.26Å; L640-N642 PolarHBondContact O-N 2.91Å; N642-V646 WeakPolarHBondContact O-CG2 3.41Å; N642-R718 PolarHBondContact O-NH1 3.46Å; N642-R718 PolarHBondContact OD1-NH1 2.83Å
643	K	86.9	Confident	83	Confident	69 Å²	69	26.7 Å²	26.7	30%	0.3	14%	0.142	S	C	.	.	H	α-helix	trans	-73.2	-41.7	173.6	-71.3	174	-176.4	168.3	0	111.3	I561 W567 E639 L640 I641 V645 P647	I561-K643 VanDerWaalsContact CD1-O 3.31Å; I561-K643 WeakPolarHBondContact CD1-O 3.17Å; I561-K643 HydrophobicContact CG2-CB 3.77Å; W567-K643 HydrophobicContact CH2-CD 4.04Å; E639-K643 WeakPolarHBondContact O-CG 3.17Å; E639-K643 PolarHBondContact O-N 3.16Å; E639-K643 VanDerWaalsContact OE1-CE 3.26Å; E639-K643 WeakPolarHBondContact OE1-CE 3.35Å; E639-K643 IonicContact OE1-NZ 2.63Å; E639-K643 PolarHBondContact OE1-NZ 3.44Å; L640-K643 PolarHBondContact O-N 2.97Å; I641-K643 VanDerWaalsContact C-N 3.3Å; I641-K643 PolarHBondContact O-N 3.21Å; K643-V645 PolarHBondContact O-N 3.28Å; K643-P647 WeakPolarHBondContact O-CD 3.34Å
644	L	87.9	Confident	82.5	Confident	7 Å²	7	28.8 Å²	28.8	4%	0.037	16%	0.164	C	C	.	.	H	α-helix	trans	-67.1	-32.9	-178.7	-69.1	176.6	0	0	0	113.9	A558 I561 M607 F610 L640 I641 F648	A558-L644 HydrophobicContact CB-CD2 4.12Å; A558-L644 WeakPolarHBondContact O-CD2 3.36Å; I561-L644 HydrophobicContact CB-CD2 4.36Å; I561-L644 HydrophobicContact CG2-CD2 4.08Å; M607-L644 HydrophobicContact CE-CD2 4.36Å; F610-L644 HydrophobicContact CD1-CD1 4.01Å; F610-L644 HydrophobicContact CE1-CD1 3.77Å; L640-L644 HydrophobicContact CD1-CD1 3.79Å; L640-L644 HydrophobicContact CD1-CD2 4.42Å; L640-L644 HydrophobicContact CD1-CG 3.91Å; L640-L644 HydrophobicContact CG-CD1 3.9Å; L640-L644 HydrophobicContact CG-CG 4.38Å; L640-L644 WeakPolarHBondContact O-CG 3.34Å; L640-L644 PolarHBondContact O-N 2.93Å; I641-L644 PolarHBondContact O-N 2.89Å; L644-F648 WeakPolarHBondContact O-CD2 3.37Å; L644-F648 WeakPolarHBondContact O-CE2 3.4Å
645	V	87.8	Confident	81.9	Confident	1 Å²	1	33.4 Å²	33.4	1%	0.006	18%	0.182	C	C	.	.	H	α-helix	trans	-83.7	-28.2	-174.1	169.1	0	0	0	0	113	L611 I641 K643 F648 Q649 L681 Q685	L611-V645 HydrophobicContact CD2-CG2 3.84Å; I641-V645 HydrophobicContact CG2-CG2 4.03Å; I641-V645 WeakPolarHBondContact O-CB 3.26Å; I641-V645 WeakPolarHBondContact O-CG2 3.18Å; I641-V645 PolarHBondContact O-N 2.91Å; K643-V645 PolarHBondContact O-N 3.28Å; V645-F648 PolarHBondContact O-N 2.85Å; V645-F648 VanDerWaalsContact O-N 3.11Å; V645-Q649 HydrophobicContact CG1-CG 3.81Å; V645-Q649 PolarHBondContact O-N 3.39Å; V645-Q649 VanDerWaalsContact O-N 3.16Å; V645-L681 HydrophobicContact CB-CD1 4.44Å; V645-L681 HydrophobicContact CG1-CD1 4.28Å; V645-L681 HydrophobicContact CG1-CD2 4.4Å; V645-L681 HydrophobicContact CG1-CG 4.44Å; V645-L681 HydrophobicContact CG2-CD1 3.94Å; V645-Q685 HydrophobicContact CG2-CG 4.1Å
646	V	87.4	Confident	81.6	Confident	48 Å²	48	31.9 Å²	31.9	29%	0.291	18%	0.175	S	C	.	.	H	α-helix	trans	-54	-47	-175.5	161.5	0	0	0	0	113.4	N642 F648 Q649 T650 R718	N642-V646 WeakPolarHBondContact O-CG2 3.41Å; V646-F648 VanDerWaalsContact C-N 3.26Å; V646-F648 PolarHBondContact O-N 2.8Å; V646-Q649 PolarHBondContact O-N 2.93Å; V646-T650 HydrophobicContact CG1-CG2 4.22Å; V646-T650 WeakPolarHBondContact O-CB 3.36Å; V646-T650 WeakPolarHBondContact O-CG2 3.37Å; V646-T650 PolarHBondContact O-N 3.18Å; V646-T650 VanDerWaalsContact O-N 3.11Å; V646-T650 PolarHBondContact O-OG1 3.15Å; V646-R718 VanDerWaalsContact CG2-NH2 3.33Å
647	P	83.3	Confident	81.2	Confident	1 Å²	1	35.6 Å²	35.6	1%	0.006	19%	0.19	C	C	.	.	H	α-helix	trans	-54.6	-42	177.8	-28.1	36.4	0	0	0	112.5	A554 E557 I561 K643 T650 T651	A554-P647 HydrophobicContact CB-CB 4.03Å; E557-P647 HydrophobicContact CB-CB 4.13Å; E557-P647 HydrophobicContact CB-CG 4.08Å; E557-P647 HydrophobicContact CG-CB 4.22Å; E557-P647 HydrophobicContact CG-CG 3.77Å; I561-P647 HydrophobicContact CD1-CG 4.12Å; K643-P647 WeakPolarHBondContact O-CD 3.34Å; P647-T650 PolarHBondContact O-OG1 3.2Å; P647-T651 WeakPolarHBondContact O-CB 3.37Å; P647-T651 WeakPolarHBondContact O-CG2 3.33Å; P647-T651 PolarHBondContact O-N 3.01Å; P647-T651 PolarHBondContact O-OG1 2.88Å
648	F	84.2	Confident	80.6	Confident	30 Å²	30	40.5 Å²	40.5	13%	0.132	21%	0.213	C	C	.	.	H	α-helix	trans	-71.3	-45.3	-178.3	-62.6	-84.5	0	0	0	113	A554 L555 A558 L644 V645 V646 L652 L681	A554-F648 HydrophobicContact CB-CD1 3.91Å; A554-F648 HydrophobicContact CB-CE1 3.92Å; A554-F648 HydrophobicContact CB-CG 4.32Å; A554-F648 HydrophobicContact CB-CZ 4.36Å; L555-F648 HydrophobicContact CD2-CE1 3.91Å; L555-F648 HydrophobicContact CD2-CZ 3.66Å; L555-F648 HydrophobicContact CG-CE1 3.96Å; L555-F648 HydrophobicContact CG-CZ 4.02Å; A558-F648 HydrophobicContact CB-CE2 3.9Å; A558-F648 HydrophobicContact CB-CZ 4.32Å; L644-F648 WeakPolarHBondContact O-CD2 3.37Å; L644-F648 WeakPolarHBondContact O-CE2 3.4Å; V645-F648 PolarHBondContact O-N 2.85Å; V645-F648 VanDerWaalsContact O-N 3.11Å; V646-F648 VanDerWaalsContact C-N 3.26Å; V646-F648 PolarHBondContact O-N 2.8Å; F648-L652 HydrophobicContact CB-CD1 4.16Å; F648-L652 HydrophobicContact CD1-CD1 3.7Å; F648-L652 HydrophobicContact CG-CD1 4.42Å; F648-L652 WeakPolarHBondContact O-CB 3.5Å; F648-L652 WeakPolarHBondContact O-CG 3.21Å; F648-L652 PolarHBondContact O-N 3.48Å; F648-L681 HydrophobicContact CB-CD1 4.25Å; F648-L681 HydrophobicContact CB-CD2 3.7Å; F648-L681 HydrophobicContact CD2-CD1 4.05Å; F648-L681 HydrophobicContact CG-CD1 4.19Å; F648-L681 HydrophobicContact CG-CD2 4.42Å
649	Q	81	Confident	80	Confident	22 Å²	22	40.4 Å²	40.4	10%	0.103	21%	0.212	C	C	.	.	H	α-helix	trans	-74.2	-34.4	-174.6	-76.3	172.8	-11.2	0	0	113.2	V645 V646 I653 Y677 L681 S722	V645-Q649 HydrophobicContact CG1-CG 3.81Å; V645-Q649 PolarHBondContact O-N 3.39Å; V645-Q649 VanDerWaalsContact O-N 3.16Å; V646-Q649 PolarHBondContact O-N 2.93Å; Q649-I653 HydrophobicContact CB-CD1 4.3Å; Q649-I653 HydrophobicContact CG-CD1 4.28Å; Q649-Y677 WeakPolarHBondContact CG-OH 3.36Å; Q649-L681 HydrophobicContact CG-CD2 4.22Å; Q649-S722 PolarHBondContact NE2-OG 3.14Å
650	T	73.4	Confident	79.5	Confident	100 Å²	100	36 Å²	36	61%	0.613	19%	0.192	S	C	*	.	H	α-helix	trans	-73.9	-38.2	179.7	53.6	0	0	0	0	112.7	V646 P647	V646-T650 HydrophobicContact CG1-CG2 4.22Å; V646-T650 WeakPolarHBondContact O-CB 3.36Å; V646-T650 WeakPolarHBondContact O-CG2 3.37Å; V646-T650 PolarHBondContact O-N 3.18Å; V646-T650 VanDerWaalsContact O-N 3.11Å; V646-T650 PolarHBondContact O-OG1 3.15Å; P647-T650 PolarHBondContact O-OG1 3.2Å
651	T	70.4	Confident	78.7	Confident	41 Å²	41	39.2 Å²	39.2	25%	0.252	21%	0.214	S	C	.	.	H	α-helix	trans	-94.2	-40.1	-173.5	62.7	0	0	0	0	113.4	P647 R655	P647-T651 WeakPolarHBondContact O-CB 3.37Å; P647-T651 WeakPolarHBondContact O-CG2 3.33Å; P647-T651 PolarHBondContact O-N 3.01Å; P647-T651 PolarHBondContact O-OG1 2.88Å; T651-R655 WeakPolarHBondContact O-CD 3.42Å; T651-R655 WeakPolarHBondContact O-CG 3.43Å
652	L	75.2	Confident	77.7	Confident	17 Å²	17	44.8 Å²	44.8	9%	0.089	24%	0.24	C	C	.	.	H	α-helix	trans	-86.6	-39.7	-168.1	-61.1	174.6	0	0	0	113.8	L547 D550 A551 F648 G654 R655 A656 Y677	L547-L652 HydrophobicContact CD1-CD2 3.71Å; D550-L652 HydrophobicContact CB-CD2 4.47Å; A551-L652 HydrophobicContact CB-CD1 4.34Å; A551-L652 HydrophobicContact CB-CD2 3.79Å; F648-L652 HydrophobicContact CB-CD1 4.16Å; F648-L652 HydrophobicContact CD1-CD1 3.7Å; F648-L652 HydrophobicContact CG-CD1 4.42Å; F648-L652 WeakPolarHBondContact O-CB 3.5Å; F648-L652 WeakPolarHBondContact O-CG 3.21Å; F648-L652 PolarHBondContact O-N 3.48Å; L652-G654 PolarHBondContact O-N 3.4Å; L652-R655 PolarHBondContact O-N 3.19Å; L652-A656 WeakPolarHBondContact O-CA 3.49Å; L652-A656 WeakPolarHBondContact O-CB 3.4Å; L652-A656 PolarHBondContact O-N 3.41Å; L652-Y677 HydrophobicContact CD1-CE2 4.45Å
653	I	70.6	Confident	76.8	Confident	26 Å²	26	44 Å²	44	13%	0.133	24%	0.236	C	C	.	.	H	α-helix	trans	-61.8	-47.8	-174.4	-62.5	176.5	0	0	0	110.7	Q649 R655 K657 Y677 E725	Q649-I653 HydrophobicContact CB-CD1 4.3Å; Q649-I653 HydrophobicContact CG-CD1 4.28Å; I653-R655 PolarHBondContact O-N 3.25Å; I653-K657 PolarHBondContact O-N 3.34Å; I653-Y677 WeakPolarHBondContact CD1-OH 3.5Å; I653-Y677 HydrophobicContact CG1-CE1 4.5Å; I653-Y677 WeakPolarHBondContact CG1-OH 3.43Å; I653-E725 HydrophobicContact CG2-CB 4.24Å
654	G	70.8	Confident	75.7	Confident	48 Å²	48	47.2 Å²	47.2	50%	0.495	25%	0.252	S	S	.	.	H	α-helix	trans	-60.5	-47.3	178.8	0	0	0	0	0	112.5	L652 K657	L652-G654 PolarHBondContact O-N 3.4Å; G654-K657 PolarHBondContact O-N 3.41Å
655	R	73.5	Confident	74.5	Confident	98 Å²	98	48.2 Å²	48.2	37%	0.37	26%	0.26	S	S	.	.	H	α-helix	trans	-73.2	-35	-178.9	-70.9	176.9	171.6	161.5	-16.3	113.1	L547 D550 T651 L652 I653 K657 E658 V659	L547-R655 HydrophobicContact CD1-CB 4.09Å; D550-R655 VanDerWaalsContact CG-CZ 3.48Å; D550-R655 IonicContact OD1-CZ 2.78Å; D550-R655 IonicContact OD1-NH1 3.98Å; D550-R655 PolarHBondContact OD1-NH1 3.01Å; D550-R655 IonicContact OD1-NH2 2.78Å; D550-R655 WeakPolarHBondContact OD2-CD 3.33Å; D550-R655 IonicContact OD2-CZ 3.5Å; D550-R655 IonicContact OD2-NE 3.77Å; D550-R655 PolarHBondContact OD2-NE 3.11Å; D550-R655 IonicContact OD2-NH1 2.73Å; D550-R655 PolarHBondContact OD2-NH1 3.37Å; D550-R655 IonicContact OD2-NH2 3.96Å; T651-R655 WeakPolarHBondContact O-CD 3.42Å; T651-R655 WeakPolarHBondContact O-CG 3.43Å; L652-R655 PolarHBondContact O-N 3.19Å; I653-R655 PolarHBondContact O-N 3.25Å; R655-K657 PolarHBondContact O-N 2.58Å; R655-E658 WeakPolarHBondContact O-CB 3.28Å; R655-E658 PolarHBondContact O-N 2.91Å; R655-E658 VanDerWaalsContact O-N 3.13Å; R655-V659 WeakPolarHBondContact O-CG2 3.49Å; R655-V659 PolarHBondContact O-N 3.35Å
656	A	75.8	Confident	73.5	Confident	14 Å²	14	48.8 Å²	48.8	12%	0.116	26%	0.263	C	S	.	.	H	α-helix	trans	-60.8	-36.5	176.8	0	0	0	0	0	111.1	L547 L652 E658 V659 L660	L547-A656 HydrophobicContact CD1-CB 4.36Å; L652-A656 WeakPolarHBondContact O-CA 3.49Å; L652-A656 WeakPolarHBondContact O-CB 3.4Å; L652-A656 PolarHBondContact O-N 3.41Å; A656-E658 PolarHBondContact O-N 2.88Å; A656-V659 PolarHBondContact O-N 2.8Å; A656-L660 HydrophobicContact CB-CD1 4.4Å; A656-L660 VanDerWaalsContact O-CB 3.26Å; A656-L660 WeakPolarHBondContact O-CB 3.3Å; A656-L660 WeakPolarHBondContact O-CG 3.4Å; A656-L660 PolarHBondContact O-N 3.05Å
657	K	74.2	Confident	72.6	Confident	98 Å²	98	51.5 Å²	51.5	43%	0.426	27%	0.268	S	S	.	.	H	α-helix	trans	-59.3	-45	173.5	-176.8	165.5	-172.8	153	0	112	I653 G654 R655 S661 L729 E732	I653-K657 PolarHBondContact O-N 3.34Å; G654-K657 PolarHBondContact O-N 3.41Å; R655-K657 PolarHBondContact O-N 2.58Å; K657-S661 VanDerWaalsContact O-CB 3.28Å; K657-S661 WeakPolarHBondContact O-CB 3.42Å; K657-S661 PolarHBondContact O-N 2.79Å; K657-S661 PolarHBondContact O-OG 3.35Å; K657-L729 HydrophobicContact CB-CD1 4.08Å; K657-L729 HydrophobicContact CD-CD1 4.45Å; K657-L729 HydrophobicContact CG-CD1 3.89Å; K657-E732 WeakPolarHBondContact CE-OE2 3.18Å; K657-E732 IonicContact NZ-OE1 3.75Å; K657-E732 PolarHBondContact NZ-OE1 2.85Å; K657-E732 VanDerWaalsContact NZ-OE1 3.07Å; K657-E732 IonicContact NZ-OE2 3.61Å; K657-E732 PolarHBondContact NZ-OE2 3.28Å
658	E	74.2	Confident	71.8	Confident	103 Å²	103	58.4 Å²	58.4	48%	0.481	30%	0.3	S	S	.	.	H	α-helix	trans	-64.5	-48.6	177.2	-61.6	174.6	172.6	0	0	111.2	R655 A656 S661 E662	R655-E658 WeakPolarHBondContact O-CB 3.28Å; R655-E658 PolarHBondContact O-N 2.91Å; R655-E658 VanDerWaalsContact O-N 3.13Å; A656-E658 PolarHBondContact O-N 2.88Å; E658-S661 PolarHBondContact O-OG 3.07Å; E658-S661 VanDerWaalsContact O-OG 3.1Å; E658-E662 WeakPolarHBondContact O-CB 3.5Å; E658-E662 WeakPolarHBondContact O-CG 3.49Å; E658-E662 PolarHBondContact O-N 3.37Å
659	V	74.4	Confident	71.3	Confident	3 Å²	3	60.4 Å²	60.4	2%	0.018	31%	0.311	C	S	.	.	H	α-helix	trans	-65.1	-49.5	-176.5	-179	0	0	0	0	112	H543 L547 R655 A656 S661 D663 L666	H543-V659 HydrophobicContact CB-CB 4.37Å; H543-V659 HydrophobicContact CB-CG2 3.84Å; H543-V659 WeakPolarHBondContact O-CG2 3.26Å; L547-V659 HydrophobicContact CB-CG2 3.62Å; L547-V659 HydrophobicContact CD2-CB 3.99Å; L547-V659 HydrophobicContact CD2-CG1 4.02Å; L547-V659 HydrophobicContact CD2-CG2 3.84Å; L547-V659 HydrophobicContact CG-CG2 4.23Å; R655-V659 WeakPolarHBondContact O-CG2 3.49Å; R655-V659 PolarHBondContact O-N 3.35Å; A656-V659 PolarHBondContact O-N 2.8Å; V659-S661 VanDerWaalsContact C-N 3.28Å; V659-S661 PolarHBondContact O-N 3.29Å; V659-D663 PolarHBondContact O-N 2.79Å; V659-D663 VanDerWaalsContact O-N 3.16Å; V659-L666 HydrophobicContact CG1-CD1 3.92Å
660	L	73.5	Confident	71.3	Confident	4 Å²	4	59.7 Å²	59.7	2%	0.021	31%	0.307	C	S	.	.	H	α-helix	trans	-71.8	-26.1	-173.5	-63.4	173.1	0	0	0	111.5	A656 R670 L674 L729 L733	A656-L660 HydrophobicContact CB-CD1 4.4Å; A656-L660 VanDerWaalsContact O-CB 3.26Å; A656-L660 WeakPolarHBondContact O-CB 3.3Å; A656-L660 WeakPolarHBondContact O-CG 3.4Å; A656-L660 PolarHBondContact O-N 3.05Å; L660-R670 HydrophobicContact CD2-CB 4.5Å; L660-R670 HydrophobicContact CD2-CG 3.96Å; L660-R670 PolarHBondContact O-NE 3.26Å; L660-R670 PolarHBondContact O-NH2 3.06Å; L660-L674 HydrophobicContact CD1-CD2 4.03Å; L660-L729 HydrophobicContact CD1-CD2 4.1Å; L660-L733 HydrophobicContact CB-CD1 3.99Å; L660-L733 HydrophobicContact CB-CD2 4.13Å; L660-L733 HydrophobicContact CD1-CD1 4.1Å
661	S	70.7	Confident	71.5	Confident	67 Å²	67	55.5 Å²	55.5	47%	0.469	28%	0.282	S	S	.	.	H	α-helix	trans	-80.2	-40.1	177.2	59.8	0	0	0	0	113.1	K657 E658 V659	K657-S661 VanDerWaalsContact O-CB 3.28Å; K657-S661 WeakPolarHBondContact O-CB 3.42Å; K657-S661 PolarHBondContact O-N 2.79Å; K657-S661 PolarHBondContact O-OG 3.35Å; E658-S661 PolarHBondContact O-OG 3.07Å; E658-S661 VanDerWaalsContact O-OG 3.1Å; V659-S661 VanDerWaalsContact C-N 3.28Å; V659-S661 PolarHBondContact O-N 3.29Å
662	E	69.4	Low	72	Confident	118 Å²	118	57.1 Å²	57.1	55%	0.551	30%	0.295	S	S	*	.	H	α-helix	trans	-87.5	-39.7	-172.9	-65.8	-172.9	174.4	0	0	114.6	H543 E658 Q664	H543-E662 IonicContact CE1-OE2 3.32Å; H543-E662 PolarHBondContact CE1-OE2 2.93Å; H543-E662 IonicContact CG-OE2 2.68Å; H543-E662 IonicContact ND1-OE2 3.76Å; H543-E662 PolarHBondContact ND1-OE2 2.77Å; H543-E662 IonicContact NE2-OE2 3.6Å; E658-E662 WeakPolarHBondContact O-CB 3.5Å; E658-E662 WeakPolarHBondContact O-CG 3.49Å; E658-E662 PolarHBondContact O-N 3.37Å; E662-Q664 PolarHBondContact O-N 2.6Å
663	D	68.4	Low	72.2	Confident	10 Å²	10	59.2 Å²	59.2	5%	0.053	31%	0.309	C	S	.	.			trans	-88.6	93.4	-172.7	-166.3	-10.8	0	0	0	111.8	T544 V659 S665 L666	T544-D663 PolarHBondContact OG1-OD2 3.3Å; V659-D663 PolarHBondContact O-N 2.79Å; V659-D663 VanDerWaalsContact O-N 3.16Å; D663-S665 PolarHBondContact O-N 3.43Å; D663-S665 VanDerWaalsContact O-N 3.09Å; D663-S665 WeakPolarHBondContact OD1-CB 3.16Å; D663-S665 PolarHBondContact OD1-N 2.96Å; D663-S665 PolarHBondContact OD1-OG 3.16Å; D663-S665 PolarHBondContact OD2-OG 3.01Å; D663-L666 HydrophobicContact CB-CD1 4.17Å; D663-L666 HydrophobicContact CB-CG 4.28Å; D663-L666 PolarHBondContact O-N 2.95Å
664	Q	64.5	Low	72.9	Confident	135 Å²	135	58.3 Å²	58.3	63%	0.631	30%	0.304	S	S	*	.	G	3₁₀ helix	trans	-60.2	-20.4	178.6	-64.4	-175.1	-12.4	0	0	114	E662 L666 W667	E662-Q664 PolarHBondContact O-N 2.6Å; Q664-L666 PolarHBondContact O-N 2.89Å; Q664-W667 HydrophobicContact CB-CZ2 3.97Å; Q664-W667 HydrophobicContact CG-CZ2 3.67Å; Q664-W667 VanDerWaalsContact O-CD1 3.25Å; Q664-W667 VanDerWaalsContact O-CG 3.25Å; Q664-W667 PolarHBondContact O-N 2.73Å
665	S	62.9	Low	73.6	Confident	29 Å²	29	58.1 Å²	58.1	20%	0.203	29%	0.294	C	S	.	.	G	3₁₀ helix	trans	-72.7	-12.2	-177.5	74.5	0	0	0	0	113.9	D663	D663-S665 PolarHBondContact O-N 3.43Å; D663-S665 VanDerWaalsContact O-N 3.09Å; D663-S665 WeakPolarHBondContact OD1-CB 3.16Å; D663-S665 PolarHBondContact OD1-N 2.96Å; D663-S665 PolarHBondContact OD1-OG 3.16Å; D663-S665 PolarHBondContact OD2-OG 3.01Å
666	L	66.7	Low	74	Confident	12 Å²	12	57.4 Å²	57.4	6%	0.063	29%	0.294	C	S	.	.	G	3₁₀ helix	trans	-100.7	7.7	-178.6	-56	-179.6	0	0	0	114.1	T544 V659 D663 Q664 E668 M669 R670	T544-L666 HydrophobicContact CG2-CD1 3.73Å; T544-L666 HydrophobicContact CG2-CD2 4.18Å; T544-L666 VanDerWaalsContact OG1-CD1 3.31Å; T544-L666 WeakPolarHBondContact OG1-CD1 3.2Å; V659-L666 HydrophobicContact CG1-CD1 3.92Å; D663-L666 HydrophobicContact CB-CD1 4.17Å; D663-L666 HydrophobicContact CB-CG 4.28Å; D663-L666 PolarHBondContact O-N 2.95Å; Q664-L666 PolarHBondContact O-N 2.89Å; L666-E668 VanDerWaalsContact C-N 3.29Å; L666-E668 PolarHBondContact O-N 3.46Å; L666-M669 HydrophobicContact CD2-CE 3.27Å; L666-M669 HydrophobicContact CG-CE 4.48Å; L666-M669 WeakPolarHBondContact O-CA 3.27Å; L666-M669 PolarHBondContact O-N 3.36Å; L666-R670 PolarHBondContact O-N 2.76Å
667	W	67.6	Low	74.5	Confident	105 Å²	105	58.4 Å²	58.4	40%	0.398	30%	0.295	S	S	.	.	H	α-helix	trans	-49.2	-47.2	-176.3	-73.4	-0.9	0	0	0	113.4	Q664 M669 R670	Q664-W667 HydrophobicContact CB-CZ2 3.97Å; Q664-W667 HydrophobicContact CG-CZ2 3.67Å; Q664-W667 VanDerWaalsContact O-CD1 3.25Å; Q664-W667 VanDerWaalsContact O-CG 3.25Å; Q664-W667 PolarHBondContact O-N 2.73Å; W667-M669 PolarHBondContact O-N 2.79Å; W667-R670 VanDerWaalsContact NE1-NH2 3.19Å; W667-R670 WeakPolarHBondContact O-CB 3.37Å; W667-R670 PolarHBondContact O-N 3.46Å
668	E	67.4	Low	75.1	Confident	146 Å²	146	53.9 Å²	53.9	68%	0.682	28%	0.276	S	S	*	.	H	α-helix	trans	-62.7	-23.8	177.4	-67.7	166.9	-141.6	0	0	114.2	K479 L666	K479-E668 IonicContact NZ-OE1 2.72Å; K479-E668 PolarHBondContact NZ-OE1 3.44Å; K479-E668 IonicContact NZ-OE2 2.65Å; K479-E668 PolarHBondContact NZ-OE2 3.4Å; L666-E668 VanDerWaalsContact C-N 3.29Å; L666-E668 PolarHBondContact O-N 3.46Å
669	M	72.6	Confident	75.7	Confident	73 Å²	73	51.9 Å²	51.9	36%	0.36	27%	0.268	S	S	.	.	H	α-helix	trans	-95.8	-9.7	-179	-67.7	-167.3	-69.5	0	0	113	L666 W667 A671 S672 V673	L666-M669 HydrophobicContact CD2-CE 3.27Å; L666-M669 HydrophobicContact CG-CE 4.48Å; L666-M669 WeakPolarHBondContact O-CA 3.27Å; L666-M669 PolarHBondContact O-N 3.36Å; W667-M669 PolarHBondContact O-N 2.79Å; M669-A671 PolarHBondContact O-N 2.95Å; M669-S672 PolarHBondContact O-N 2.91Å; M669-V673 WeakPolarHBondContact O-CG2 3.09Å; M669-V673 PolarHBondContact O-N 3.33Å
670	R	80.3	Confident	76.2	Confident	7 Å²	7	52.8 Å²	52.8	3%	0.026	27%	0.273	C	S	.	.	H	α-helix	trans	-54.1	-53.9	-177.6	-72.5	177.2	170	176.6	-5.4	111.5	L660 L666 W667 S672 V673 L674 S736 L743	L660-R670 HydrophobicContact CD2-CB 4.5Å; L660-R670 HydrophobicContact CD2-CG 3.96Å; L660-R670 PolarHBondContact O-NE 3.26Å; L660-R670 PolarHBondContact O-NH2 3.06Å; L666-R670 PolarHBondContact O-N 2.76Å; W667-R670 VanDerWaalsContact NE1-NH2 3.19Å; W667-R670 WeakPolarHBondContact O-CB 3.37Å; W667-R670 PolarHBondContact O-N 3.46Å; R670-S672 PolarHBondContact O-N 3.32Å; R670-V673 PolarHBondContact O-N 3.17Å; R670-L674 WeakPolarHBondContact O-CG 3.22Å; R670-L674 PolarHBondContact O-N 3.11Å; R670-L674 VanDerWaalsContact O-N 3.16Å; R670-S736 PolarHBondContact NH1-OG 3.5Å; R670-L743 HydrophobicContact CB-CD2 4.5Å
671	A	78	Confident	76.9	Confident	11 Å²	11	53.3 Å²	53.3	9%	0.091	28%	0.276	C	S	.	.	H	α-helix	trans	-60.2	-47.9	178.6	0	0	0	0	0	111.2	M669 V673 L674 T675 D742 L743	M669-A671 PolarHBondContact O-N 2.95Å; A671-V673 VanDerWaalsContact C-N 3.32Å; A671-V673 PolarHBondContact O-N 2.87Å; A671-L674 PolarHBondContact O-N 3.4Å; A671-T675 WeakPolarHBondContact O-CB 3.11Å; A671-T675 PolarHBondContact O-N 3.07Å; A671-T675 PolarHBondContact O-OG1 3.37Å; A671-D742 HydrophobicContact CB-CB 3.64Å; A671-L743 HydrophobicContact CB-CD2 3.97Å; A671-L743 HydrophobicContact CB-CG 4.39Å
672	S	81.3	Confident	77.8	Confident	75 Å²	75	50.1 Å²	50.1	52%	0.524	25%	0.254	S	S	.	.	H	α-helix	trans	-58.6	-39.5	179.7	-176.9	0	0	0	0	113.6	M669 R670 Q676	M669-S672 PolarHBondContact O-N 2.91Å; R670-S672 PolarHBondContact O-N 3.32Å; S672-Q676 VanDerWaalsContact O-CB 3.24Å; S672-Q676 WeakPolarHBondContact O-CB 3.39Å; S672-Q676 PolarHBondContact O-N 2.95Å
673	V	80	Confident	78.7	Confident	62 Å²	62	48.6 Å²	48.6	38%	0.376	25%	0.247	S	C	.	.	H	α-helix	trans	-68.8	-43	179.3	172.7	0	0	0	0	110.6	M669 R670 A671 Q676 Y677	M669-V673 WeakPolarHBondContact O-CG2 3.09Å; M669-V673 PolarHBondContact O-N 3.33Å; R670-V673 PolarHBondContact O-N 3.17Å; A671-V673 VanDerWaalsContact C-N 3.32Å; A671-V673 PolarHBondContact O-N 2.87Å; V673-Q676 PolarHBondContact O-N 2.98Å; V673-Y677 WeakPolarHBondContact O-CB 3.12Å; V673-Y677 PolarHBondContact O-N 3.35Å
674	L	84.3	Confident	79.7	Confident	7 Å²	7	48.1 Å²	48.1	4%	0.037	24%	0.244	C	C	.	.	H	α-helix	trans	-66.8	-44.9	177.3	-62.6	179	0	0	0	111.5	L660 R670 A671 Q676 Y677 V678 V726 L729 A730 L733 L743 F746	L660-L674 HydrophobicContact CD1-CD2 4.03Å; R670-L674 WeakPolarHBondContact O-CG 3.22Å; R670-L674 PolarHBondContact O-N 3.11Å; R670-L674 VanDerWaalsContact O-N 3.16Å; A671-L674 PolarHBondContact O-N 3.4Å; L674-Q676 VanDerWaalsContact C-N 3.32Å; L674-Q676 PolarHBondContact O-N 2.87Å; L674-Y677 PolarHBondContact O-N 3.31Å; L674-V678 WeakPolarHBondContact O-CG2 3.05Å; L674-V678 PolarHBondContact O-N 2.95Å; L674-V726 HydrophobicContact CD2-CG1 4.29Å; L674-L729 HydrophobicContact CD2-CD2 4.23Å; L674-A730 HydrophobicContact CD1-CB 4Å; L674-L733 HydrophobicContact CD1-CD1 4.3Å; L674-L743 HydrophobicContact CD1-CD2 3.97Å; L674-F746 HydrophobicContact CB-CE1 4.19Å; L674-F746 HydrophobicContact CB-CE2 4.11Å; L674-F746 HydrophobicContact CB-CZ 3.87Å; L674-F746 HydrophobicContact CD1-CE1 4.48Å
675	T	85.1	Confident	81	Confident	44 Å²	44	41.7 Å²	41.7	27%	0.27	21%	0.214	S	C	.	.	H	α-helix	trans	-58.6	-44.1	174.6	-58.3	0	0	0	0	111.2	A671 V678 N679 F746	A671-T675 WeakPolarHBondContact O-CB 3.11Å; A671-T675 PolarHBondContact O-N 3.07Å; A671-T675 PolarHBondContact O-OG1 3.37Å; T675-V678 PolarHBondContact O-N 3.32Å; T675-N679 WeakPolarHBondContact CG2-ND2 3.37Å; T675-N679 WeakPolarHBondContact O-CB 3.37Å; T675-N679 PolarHBondContact O-N 3.41Å; T675-N679 PolarHBondContact O-ND2 3.48Å; T675-F746 WeakPolarHBondContact OG1-CD2 3.46Å
676	Q	83.5	Confident	82.2	Confident	82 Å²	82	41 Å²	41	38%	0.383	21%	0.209	S	C	.	.	H	α-helix	trans	-64.3	-44.2	177.7	-172.6	174.2	4	0	0	111.6	S672 V673 L674 V678 N679 D680	S672-Q676 VanDerWaalsContact O-CB 3.24Å; S672-Q676 WeakPolarHBondContact O-CB 3.39Å; S672-Q676 PolarHBondContact O-N 2.95Å; V673-Q676 PolarHBondContact O-N 2.98Å; L674-Q676 VanDerWaalsContact C-N 3.32Å; L674-Q676 PolarHBondContact O-N 2.87Å; Q676-V678 VanDerWaalsContact C-N 3.33Å; Q676-V678 PolarHBondContact O-N 3.24Å; Q676-N679 PolarHBondContact O-N 3.23Å; Q676-D680 WeakPolarHBondContact CG-OD2 3.4Å; Q676-D680 PolarHBondContact NE2-OD2 2.89Å; Q676-D680 VanDerWaalsContact NE2-OD2 3.12Å; Q676-D680 VanDerWaalsContact O-CB 3.28Å; Q676-D680 WeakPolarHBondContact O-CB 3.35Å; Q676-D680 PolarHBondContact O-N 2.93Å
677	Y	85.7	Confident	83.2	Confident	35 Å²	35	43.9 Å²	43.9	14%	0.137	22%	0.222	C	C	.	.	H	α-helix	trans	-60.6	-42	176.7	-173.6	-95.6	0	0	0	112.3	Q649 L652 I653 V673 L674 L681 L682 V726	Q649-Y677 WeakPolarHBondContact CG-OH 3.36Å; L652-Y677 HydrophobicContact CD1-CE2 4.45Å; I653-Y677 WeakPolarHBondContact CD1-OH 3.5Å; I653-Y677 HydrophobicContact CG1-CE1 4.5Å; I653-Y677 WeakPolarHBondContact CG1-OH 3.43Å; V673-Y677 WeakPolarHBondContact O-CB 3.12Å; V673-Y677 PolarHBondContact O-N 3.35Å; L674-Y677 PolarHBondContact O-N 3.31Å; Y677-L681 HydrophobicContact CD2-CD2 4.3Å; Y677-L681 HydrophobicContact CE1-CD2 4.14Å; Y677-L681 HydrophobicContact CE2-CD2 3.5Å; Y677-L681 VanDerWaalsContact CE2-CD2 3.5Å; Y677-L681 VanDerWaalsContact CZ-CD2 3.4Å; Y677-L681 VanDerWaalsContact O-CB 3.27Å; Y677-L681 WeakPolarHBondContact O-CB 3.13Å; Y677-L681 PolarHBondContact O-N 2.63Å; Y677-L681 VanDerWaalsContact O-N 3.09Å; Y677-L681 WeakPolarHBondContact OH-CD2 3.45Å; Y677-L682 HydrophobicContact CD1-CD1 4Å; Y677-L682 HydrophobicContact CD1-CG 4.16Å; Y677-L682 HydrophobicContact CE1-CD1 3.87Å; Y677-L682 HydrophobicContact CE1-CD2 4.23Å; Y677-L682 HydrophobicContact CE1-CG 3.93Å; Y677-L682 PolarHBondContact O-N 3.47Å; Y677-V726 HydrophobicContact CD1-CG2 3.9Å; Y677-V726 HydrophobicContact CE1-CG2 3.89Å
678	V	86.6	Confident	84.3	Confident	3 Å²	3	38.9 Å²	38.9	2%	0.018	20%	0.203	C	C	.	.	I	π-helix	trans	-64.1	-51.3	175.3	172.2	0	0	0	0	110.8	L674 T675 Q676 D680 L682 Q683 F723 V726 F746	L674-V678 WeakPolarHBondContact O-CG2 3.05Å; L674-V678 PolarHBondContact O-N 2.95Å; T675-V678 PolarHBondContact O-N 3.32Å; Q676-V678 VanDerWaalsContact C-N 3.33Å; Q676-V678 PolarHBondContact O-N 3.24Å; V678-D680 PolarHBondContact O-N 3.14Å; V678-L682 HydrophobicContact CG2-CD1 4.13Å; V678-L682 CarbonylContact O-C 3.54Å; V678-L682 PolarHBondContact O-N 2.61Å; V678-Q683 WeakPolarHBondContact O-CB 3.32Å; V678-Q683 PolarHBondContact O-N 3.34Å; V678-F723 HydrophobicContact CG1-CE2 4.11Å; V678-V726 HydrophobicContact CG2-CG1 4.16Å; V678-F746 HydrophobicContact CB-CE2 4.18Å; V678-F746 HydrophobicContact CG2-CE2 3.61Å; V678-F746 HydrophobicContact CG2-CZ 3.52Å
679	N	87.9	Confident	85.2	Confident	61 Å²	61	32 Å²	32	33%	0.326	17%	0.17	S	C	.	.	I	π-helix	trans	-68.5	-37.4	-173.3	-68.6	-10.7	0	0	0	113.3	T675 Q676 Q683 P684	T675-N679 WeakPolarHBondContact CG2-ND2 3.37Å; T675-N679 WeakPolarHBondContact O-CB 3.37Å; T675-N679 PolarHBondContact O-N 3.41Å; T675-N679 PolarHBondContact O-ND2 3.48Å; Q676-N679 PolarHBondContact O-N 3.23Å; N679-Q683 PolarHBondContact OD1-OE1 3.4Å; N679-P684 WeakPolarHBondContact O-CD 3.47Å
680	D	84.8	Confident	85.9	Confident	23 Å²	23	30.3 Å²	30.3	12%	0.123	16%	0.163	C	C	.	.	I	π-helix	trans	-88.5	-28.3	-174.7	-66.7	-15.3	0	0	0	112	Q676 V678	Q676-D680 WeakPolarHBondContact CG-OD2 3.4Å; Q676-D680 PolarHBondContact NE2-OD2 2.89Å; Q676-D680 VanDerWaalsContact NE2-OD2 3.12Å; Q676-D680 VanDerWaalsContact O-CB 3.28Å; Q676-D680 WeakPolarHBondContact O-CB 3.35Å; Q676-D680 PolarHBondContact O-N 2.93Å; V678-D680 PolarHBondContact O-N 3.14Å
681	L	87	Confident	86	Confident	14 Å²	14	31.1 Å²	31.1	7%	0.073	17%	0.168	C	C	.	.	I	π-helix	trans	-117.6	-51.7	-174.1	-166	75.5	0	0	0	114.3	L611 V645 F648 Q649 Y677 Q685	L611-L681 HydrophobicContact CD2-CD1 3.97Å; L611-L681 WeakPolarHBondContact CD2-O 3.24Å; V645-L681 HydrophobicContact CB-CD1 4.44Å; V645-L681 HydrophobicContact CG1-CD1 4.28Å; V645-L681 HydrophobicContact CG1-CD2 4.4Å; V645-L681 HydrophobicContact CG1-CG 4.44Å; V645-L681 HydrophobicContact CG2-CD1 3.94Å; F648-L681 HydrophobicContact CB-CD1 4.25Å; F648-L681 HydrophobicContact CB-CD2 3.7Å; F648-L681 HydrophobicContact CD2-CD1 4.05Å; F648-L681 HydrophobicContact CG-CD1 4.19Å; F648-L681 HydrophobicContact CG-CD2 4.42Å; Q649-L681 HydrophobicContact CG-CD2 4.22Å; Y677-L681 HydrophobicContact CD2-CD2 4.3Å; Y677-L681 HydrophobicContact CE1-CD2 4.14Å; Y677-L681 HydrophobicContact CE2-CD2 3.5Å; Y677-L681 VanDerWaalsContact CE2-CD2 3.5Å; Y677-L681 VanDerWaalsContact CZ-CD2 3.4Å; Y677-L681 VanDerWaalsContact O-CB 3.27Å; Y677-L681 WeakPolarHBondContact O-CB 3.13Å; Y677-L681 PolarHBondContact O-N 2.63Å; Y677-L681 VanDerWaalsContact O-N 3.09Å; Y677-L681 WeakPolarHBondContact OH-CD2 3.45Å; L681-Q685 WeakPolarHBondContact O-CG 3.14Å; L681-Q685 PolarHBondContact O-NE2 2.77Å
682	L	89	Confident	86.1	Confident	0 Å²	0	30.6 Å²	30.6	0%	0	16%	0.163	C	C	.	.	I	π-helix	trans	-82.8	-40.6	-171.1	-62.2	179.9	0	0	0	113.1	Y677 V678 Q685 V686 F723 V726	Y677-L682 HydrophobicContact CD1-CD1 4Å; Y677-L682 HydrophobicContact CD1-CG 4.16Å; Y677-L682 HydrophobicContact CE1-CD1 3.87Å; Y677-L682 HydrophobicContact CE1-CD2 4.23Å; Y677-L682 HydrophobicContact CE1-CG 3.93Å; Y677-L682 PolarHBondContact O-N 3.47Å; V678-L682 HydrophobicContact CG2-CD1 4.13Å; V678-L682 CarbonylContact O-C 3.54Å; V678-L682 PolarHBondContact O-N 2.61Å; L682-Q685 WeakPolarHBondContact O-CB 3.19Å; L682-Q685 PolarHBondContact O-N 3.06Å; L682-V686 WeakPolarHBondContact O-CG2 3.48Å; L682-V686 PolarHBondContact O-N 2.83Å; L682-F723 HydrophobicContact CB-CD2 4Å; L682-F723 HydrophobicContact CB-CE2 4.39Å; L682-F723 HydrophobicContact CD1-CB 4.29Å; L682-F723 HydrophobicContact CD1-CD2 3.84Å; L682-F723 HydrophobicContact CD1-CG 4.32Å; L682-V726 HydrophobicContact CD1-CG2 4.28Å
683	Q	89.3	Confident	86.1	Confident	86 Å²	86	27.2 Å²	27.2	40%	0.402	14%	0.139	S	C	.	.	H	α-helix	trans	-63.6	-41.8	179.3	-174.1	178.5	13.6	0	0	112.2	V678 N679 Q685 V686 Q687	V678-Q683 WeakPolarHBondContact O-CB 3.32Å; V678-Q683 PolarHBondContact O-N 3.34Å; N679-Q683 PolarHBondContact OD1-OE1 3.4Å; Q683-Q685 VanDerWaalsContact C-N 3.34Å; Q683-Q685 PolarHBondContact O-N 3.47Å; Q683-V686 PolarHBondContact O-N 3.12Å; Q683-Q687 WeakPolarHBondContact O-CG 3.44Å; Q683-Q687 PolarHBondContact O-N 3.23Å
684	P	89.7	Confident	86.1	Confident	1 Å²	1	29.9 Å²	29.9	1%	0.006	15%	0.148	C	C	.	.	H	α-helix	trans	-61.3	-39.2	171	-27.2	38	0	0	0	113	L611 R612 V615 N679 V686 Q687 H688	L611-P684 HydrophobicContact CD2-CB 3.98Å; L611-P684 HydrophobicContact CG-CB 3.75Å; L611-P684 HydrophobicContact CG-CG 4.42Å; R612-P684 HydrophobicContact CB-CG 3.84Å; R612-P684 HydrophobicContact CG-CG 4.41Å; V615-P684 HydrophobicContact CB-CB 4.47Å; V615-P684 HydrophobicContact CG2-CB 4.03Å; N679-P684 WeakPolarHBondContact O-CD 3.47Å; P684-V686 VanDerWaalsContact C-N 3.33Å; P684-V686 PolarHBondContact O-N 2.61Å; P684-Q687 PolarHBondContact O-N 3.31Å; P684-H688 WeakPolarHBondContact O-CB 3.2Å; P684-H688 PolarHBondContact O-N 3.19Å
685	Q	90.5	Very high	85.6	Confident	0 Å²	0	30.4 Å²	30.4	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-63.1	-39.6	174.2	-78.6	171.6	77.8	0	0	112.2	L611 I641 V645 L681 L682 Q683 A689 T719	L611-Q685 HydrophobicContact CD2-CG 4.38Å; I641-Q685 HydrophobicContact CG2-CG 4.19Å; V645-Q685 HydrophobicContact CG2-CG 4.1Å; L681-Q685 WeakPolarHBondContact O-CG 3.14Å; L681-Q685 PolarHBondContact O-NE2 2.77Å; L682-Q685 WeakPolarHBondContact O-CB 3.19Å; L682-Q685 PolarHBondContact O-N 3.06Å; Q683-Q685 VanDerWaalsContact C-N 3.34Å; Q683-Q685 PolarHBondContact O-N 3.47Å; Q685-A689 WeakPolarHBondContact O-CB 3.32Å; Q685-A689 PolarHBondContact O-N 2.73Å; Q685-T719 HydrophobicContact CB-CG2 3.96Å; Q685-T719 PolarHBondContact OE1-OG1 3.18Å
686	V	89	Confident	84.9	Confident	14 Å²	14	28.5 Å²	28.5	9%	0.085	14%	0.138	C	C	.	.	H	α-helix	trans	-62.6	-50.3	173.9	172.6	0	0	0	0	109.7	L682 Q683 P684 H688 A689 L690 T719 T753	L682-V686 WeakPolarHBondContact O-CG2 3.48Å; L682-V686 PolarHBondContact O-N 2.83Å; Q683-V686 PolarHBondContact O-N 3.12Å; P684-V686 VanDerWaalsContact C-N 3.33Å; P684-V686 PolarHBondContact O-N 2.61Å; V686-H688 VanDerWaalsContact C-N 3.33Å; V686-H688 PolarHBondContact O-N 2.76Å; V686-A689 WeakPolarHBondContact O-CB 3.35Å; V686-A689 PolarHBondContact O-N 2.82Å; V686-A689 VanDerWaalsContact O-N 3.11Å; V686-L690 HydrophobicContact CG1-CD1 4.39Å; V686-L690 HydrophobicContact CG1-CG 4.35Å; V686-L690 VanDerWaalsContact O-CG 3.32Å; V686-L690 WeakPolarHBondContact O-CG 3.31Å; V686-L690 PolarHBondContact O-N 2.71Å; V686-T719 HydrophobicContact CG2-CG2 3.77Å; V686-T753 HydrophobicContact CG1-CG2 4.09Å; V686-T753 HydrophobicContact CG2-CG2 4.12Å
687	Q	88.6	Confident	84.3	Confident	73 Å²	73	27.7 Å²	27.7	34%	0.341	15%	0.145	S	C	.	.	H	α-helix	trans	-56.9	-45.3	178.2	-74	175.3	-22.7	0	0	112.1	V615 Q683 P684 A689 L690 L691	V615-Q687 HydrophobicContact CG1-CB 3.68Å; Q683-Q687 WeakPolarHBondContact O-CG 3.44Å; Q683-Q687 PolarHBondContact O-N 3.23Å; P684-Q687 PolarHBondContact O-N 3.31Å; Q687-A689 PolarHBondContact O-N 2.86Å; Q687-L690 WeakPolarHBondContact O-CB 3.34Å; Q687-L690 PolarHBondContact O-N 2.81Å; Q687-L690 VanDerWaalsContact O-N 3.17Å; Q687-L691 WeakPolarHBondContact O-CG 3.21Å; Q687-L691 PolarHBondContact O-N 3.48Å
688	H	89.9	Confident	83.7	Confident	0 Å²	0	28.3 Å²	28.3	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-63.3	-39.7	176	-178.8	73.9	0	0	0	112.7	V615 E618 W634 T638 I641 P684 V686 L690 L691 G692	V615-H688 HydrophobicContact CG1-CB 4.15Å; V615-H688 HydrophobicContact CG2-CB 3.98Å; E618-H688 IonicContact OE1-CE1 3.89Å; E618-H688 PolarHBondContact OE1-CE1 3.46Å; E618-H688 IonicContact OE1-ND1 2.66Å; E618-H688 PolarHBondContact OE1-ND1 3.04Å; E618-H688 IonicContact OE2-CE1 3.34Å; E618-H688 PolarHBondContact OE2-CE1 3.05Å; E618-H688 IonicContact OE2-CG 2.92Å; E618-H688 IonicContact OE2-ND1 3.32Å; E618-H688 PolarHBondContact OE2-ND1 3.4Å; W634-H688 AromaticContact CD1-CE1 3.53Å; W634-H688 AromaticContact CE2-CE1 3.82Å; W634-H688 AromaticContact CE2-NE2 3.58Å; W634-H688 AromaticContact CZ2-NE2 3.69Å; W634-H688 AromaticContact NE1-CD2 3.93Å; W634-H688 AromaticContact NE1-CE1 3.26Å; W634-H688 PolarHBondContact NE1-CE1 3.02Å; W634-H688 VanDerWaalsContact NE1-CE1 3.26Å; W634-H688 AromaticContact NE1-ND1 3.69Å; W634-H688 AromaticContact NE1-NE2 3.44Å; W634-H688 PolarHBondContact NE1-NE2 3.3Å; W634-H688 PolarHBondContact NE1-O 3.41Å; W634-H688 VanDerWaalsContact NE1-O 3.08Å; T638-H688 WeakPolarHBondContact CA-NE2 2.93Å; T638-H688 PolarHBondContact OG1-NE2 3.19Å; I641-H688 HydrophobicContact CD1-CB 3.92Å; I641-H688 WeakPolarHBondContact CD1-ND1 3.33Å; P684-H688 WeakPolarHBondContact O-CB 3.2Å; P684-H688 PolarHBondContact O-N 3.19Å; V686-H688 VanDerWaalsContact C-N 3.33Å; V686-H688 PolarHBondContact O-N 2.76Å; H688-L690 VanDerWaalsContact C-N 3.31Å; H688-L690 PolarHBondContact O-N 3.09Å; H688-L691 PolarHBondContact O-N 3.04Å; H688-G692 PolarHBondContact O-N 3.4Å; H688-G692 VanDerWaalsContact O-N 3.1Å
689	A	86.4	Confident	82.8	Confident	0 Å²	0	28.7 Å²	28.7	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-62.3	-39.6	173.3	0	0	0	0	0	111.8	Q685 V686 Q687 G692 I693 L715 L716 L757	Q685-A689 WeakPolarHBondContact O-CB 3.32Å; Q685-A689 PolarHBondContact O-N 2.73Å; V686-A689 WeakPolarHBondContact O-CB 3.35Å; V686-A689 PolarHBondContact O-N 2.82Å; V686-A689 VanDerWaalsContact O-N 3.11Å; Q687-A689 PolarHBondContact O-N 2.86Å; A689-G692 PolarHBondContact O-N 3.32Å; A689-I693 VanDerWaalsContact O-CG1 3.3Å; A689-I693 WeakPolarHBondContact O-CG1 3.35Å; A689-I693 PolarHBondContact O-N 3.23Å; A689-L715 HydrophobicContact CB-CD2 3.59Å; A689-L716 HydrophobicContact CB-CD2 3.87Å; A689-L757 HydrophobicContact CB-CD1 4.09Å
690	L	86.8	Confident	81.7	Confident	39 Å²	39	30.2 Å²	30.2	20%	0.204	18%	0.178	C	C	.	.	H	α-helix	trans	-64.7	-41.5	177.3	-66.2	-172.2	0	0	0	112.1	V686 Q687 H688 G692 I693 Q694 L757	V686-L690 HydrophobicContact CG1-CD1 4.39Å; V686-L690 HydrophobicContact CG1-CG 4.35Å; V686-L690 VanDerWaalsContact O-CG 3.32Å; V686-L690 WeakPolarHBondContact O-CG 3.31Å; V686-L690 PolarHBondContact O-N 2.71Å; Q687-L690 WeakPolarHBondContact O-CB 3.34Å; Q687-L690 PolarHBondContact O-N 2.81Å; Q687-L690 VanDerWaalsContact O-N 3.17Å; H688-L690 VanDerWaalsContact C-N 3.31Å; H688-L690 PolarHBondContact O-N 3.09Å; L690-G692 VanDerWaalsContact C-N 3.29Å; L690-G692 PolarHBondContact O-N 3.26Å; L690-I693 HydrophobicContact CD2-CD1 4.23Å; L690-I693 PolarHBondContact O-N 3.1Å; L690-Q694 WeakPolarHBondContact O-CG 3.45Å; L690-Q694 PolarHBondContact O-N 3.03Å; L690-L757 HydrophobicContact CD2-CD1 3.55Å; L690-L757 HydrophobicContact CG-CD1 4.42Å
691	L	83.2	Confident	81.1	Confident	24 Å²	24	31.4 Å²	31.4	13%	0.126	19%	0.189	C	C	.	.	H	α-helix	trans	-58.7	-43.4	172.7	-67.1	173.3	0	0	0	110.9	V615 L622 Q687 H688 I693 Q694 E695	V615-L691 HydrophobicContact CG1-CD1 4.37Å; L622-L691 HydrophobicContact CD1-CD1 4.46Å; Q687-L691 WeakPolarHBondContact O-CG 3.21Å; Q687-L691 PolarHBondContact O-N 3.48Å; H688-L691 PolarHBondContact O-N 3.04Å; L691-I693 VanDerWaalsContact C-N 3.34Å; L691-I693 PolarHBondContact O-N 3.13Å; L691-Q694 PolarHBondContact O-N 3.38Å; L691-E695 WeakPolarHBondContact O-CG 3.4Å; L691-E695 PolarHBondContact O-N 3.23Å
692	G	80.5	Confident	80.4	Confident	0 Å²	0	39.4 Å²	39.4	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-61.8	-39.5	175.2	0	0	0	0	0	113.3	H688 A689 L690 E695 M696	H688-G692 PolarHBondContact O-N 3.4Å; H688-G692 VanDerWaalsContact O-N 3.1Å; A689-G692 PolarHBondContact O-N 3.32Å; L690-G692 VanDerWaalsContact C-N 3.29Å; L690-G692 PolarHBondContact O-N 3.26Å; G692-E695 PolarHBondContact O-N 2.84Å; G692-M696 WeakPolarHBondContact O-CB 3.29Å; G692-M696 WeakPolarHBondContact O-CG 3.47Å; G692-M696 PolarHBondContact O-N 3.46Å
693	I	81.1	Confident	79.6	Confident	4 Å²	4	47.1 Å²	47.1	2%	0.021	26%	0.259	C	S	.	.	H	α-helix	trans	-65.4	-41.8	175.6	-68	166.8	0	0	0	111.3	A689 L690 L691 M696 A697 L757 L761 V764	A689-I693 VanDerWaalsContact O-CG1 3.3Å; A689-I693 WeakPolarHBondContact O-CG1 3.35Å; A689-I693 PolarHBondContact O-N 3.23Å; L690-I693 HydrophobicContact CD2-CD1 4.23Å; L690-I693 PolarHBondContact O-N 3.1Å; L691-I693 VanDerWaalsContact C-N 3.34Å; L691-I693 PolarHBondContact O-N 3.13Å; I693-M696 HydrophobicContact CB-CE 4.34Å; I693-M696 HydrophobicContact CG1-CE 3.97Å; I693-M696 WeakPolarHBondContact O-CB 3.33Å; I693-M696 PolarHBondContact O-N 3.47Å; I693-A697 PolarHBondContact O-N 3.12Å; I693-A697 VanDerWaalsContact O-N 3.11Å; I693-L757 HydrophobicContact CD1-CD1 3.89Å; I693-L761 HydrophobicContact CD1-CB 4.41Å; I693-L761 HydrophobicContact CD1-CD1 4.46Å; I693-L761 HydrophobicContact CG1-CD1 4.31Å; I693-V764 HydrophobicContact CG2-CB 4.34Å; I693-V764 HydrophobicContact CG2-CG2 3.53Å
694	Q	79.7	Confident	78.7	Confident	117 Å²	117	47.1 Å²	47.1	55%	0.547	26%	0.257	S	S	.	.	H	α-helix	trans	-65.2	-43	176.3	-70.1	174.1	4.2	0	0	112	L690 L691 M696 A697 S698	L690-Q694 WeakPolarHBondContact O-CG 3.45Å; L690-Q694 PolarHBondContact O-N 3.03Å; L691-Q694 PolarHBondContact O-N 3.38Å; Q694-M696 VanDerWaalsContact C-N 3.33Å; Q694-M696 PolarHBondContact O-N 3.5Å; Q694-A697 WeakPolarHBondContact O-CB 3.19Å; Q694-A697 PolarHBondContact O-N 3.09Å; Q694-S698 PolarHBondContact O-N 3.25Å; Q694-S698 VanDerWaalsContact O-N 3.16Å
695	E	74	Confident	77.8	Confident	18 Å²	18	52 Å²	52	8%	0.084	28%	0.276	C	S	.	.	H	α-helix	trans	-68.8	-31.1	177	-70.1	-59	155.5	0	0	112.3	R630 L691 G692 S698 C699	R630-E695 WeakPolarHBondContact CD-OE1 3.43Å; R630-E695 IonicContact NH1-OE1 2.98Å; R630-E695 PolarHBondContact NH1-OE1 2.93Å; R630-E695 VanDerWaalsContact NH1-OE1 3.16Å; L691-E695 WeakPolarHBondContact O-CG 3.4Å; L691-E695 PolarHBondContact O-N 3.23Å; G692-E695 PolarHBondContact O-N 2.84Å; E695-S698 PolarHBondContact O-N 3.06Å; E695-S698 PolarHBondContact O-OG 3.26Å; E695-S698 PolarHBondContact OE2-OG 2.98Å; E695-C699 PolarHBondContact O-N 3.45Å; E695-C699 VanDerWaalsContact O-N 3.13Å; E695-C699 PolarHBondContact O-SG 2.91Å
696	M	69.4	Low	77	Confident	5 Å²	5	54.4 Å²	54.4	3%	0.025	30%	0.295	C	S	.	.	H	α-helix	trans	-62.4	-41.8	168.9	-81.9	-165	-57.4	0	0	112.7	G692 I693 Q694 S698 C699 L708 L712 L761 V764	G692-M696 WeakPolarHBondContact O-CB 3.29Å; G692-M696 WeakPolarHBondContact O-CG 3.47Å; G692-M696 PolarHBondContact O-N 3.46Å; I693-M696 HydrophobicContact CB-CE 4.34Å; I693-M696 HydrophobicContact CG1-CE 3.97Å; I693-M696 WeakPolarHBondContact O-CB 3.33Å; I693-M696 PolarHBondContact O-N 3.47Å; Q694-M696 VanDerWaalsContact C-N 3.33Å; Q694-M696 PolarHBondContact O-N 3.5Å; M696-S698 PolarHBondContact O-N 3.19Å; M696-C699 PolarHBondContact O-N 3.39Å; M696-L708 HydrophobicContact CB-CD1 4.3Å; M696-L708 HydrophobicContact CG-CB 3.67Å; M696-L708 HydrophobicContact CG-CD1 3.44Å; M696-L708 VanDerWaalsContact CG-CD1 3.44Å; M696-L708 HydrophobicContact CG-CD2 4.42Å; M696-L708 HydrophobicContact CG-CG 4.03Å; M696-L708 HydrophobicContact SD-CB 3.95Å; M696-L712 HydrophobicContact CE-CD1 3.14Å; M696-L712 HydrophobicContact CG-CD1 4.07Å; M696-L712 HydrophobicContact SD-CD1 3.4Å; M696-L712 WeakPolarHBondContact SD-CD1 3.25Å; M696-L761 HydrophobicContact CE-CD1 4.1Å; M696-V764 HydrophobicContact CB-CG1 3.95Å
697	A	70.2	Confident	76.3	Confident	65 Å²	65	57.9 Å²	57.9	54%	0.537	31%	0.313	S	S	.	.	H	α-helix	trans	-63.8	-31.7	177.2	0	0	0	0	0	112	I693 Q694 V764	I693-A697 PolarHBondContact O-N 3.12Å; I693-A697 VanDerWaalsContact O-N 3.11Å; Q694-A697 WeakPolarHBondContact O-CB 3.19Å; Q694-A697 PolarHBondContact O-N 3.09Å; A697-V764 HydrophobicContact CB-CG1 4.16Å; A697-V764 HydrophobicContact CB-CG2 4.06Å
698	S	73.2	Confident	75.6	Confident	48 Å²	48	54.4 Å²	54.4	34%	0.336	30%	0.297	S	S	.	.	H	α-helix	trans	-78.4	-22.8	177.6	93.4	0	0	0	0	113.5	Q694 E695 M696	Q694-S698 PolarHBondContact O-N 3.25Å; Q694-S698 VanDerWaalsContact O-N 3.16Å; E695-S698 PolarHBondContact O-N 3.06Å; E695-S698 PolarHBondContact O-OG 3.26Å; E695-S698 PolarHBondContact OE2-OG 2.98Å; M696-S698 PolarHBondContact O-N 3.19Å
699	C	68.6	Low	74.9	Confident	11 Å²	11	55.8 Å²	55.8	7%	0.074	31%	0.307	C	S	.	.			trans	-74.9	125.1	-176.1	-80.2	0	0	0	0	112.5	E695 M696 R705	E695-C699 PolarHBondContact O-N 3.45Å; E695-C699 VanDerWaalsContact O-N 3.13Å; E695-C699 PolarHBondContact O-SG 2.91Å; M696-C699 PolarHBondContact O-N 3.39Å; C699-R705 HydrophobicContact CB-CG 4.19Å; C699-R705 PolarHBondContact O-NE 3.44Å; C699-R705 PolarHBondContact O-NH2 3.44Å
700	A	64.6	Low	74.6	Confident	92 Å²	92	62.8 Å²	62.8	76%	0.76	34%	0.34	S	S	*	.			trans	-86.6	-26.8	177.5	0	0	0	0	0	114.6
701	S	73.1	Confident	74.3	Confident	49 Å²	49	62 Å²	62	34%	0.343	34%	0.339	S	S	.	.			trans	-87.1	133.1	-172.8	57.1	0	0	0	0	112.9	E703 K704 R705	S701-E703 PolarHBondContact O-N 2.98Å; S701-K704 VanDerWaalsContact OG-CB 3.27Å; S701-K704 WeakPolarHBondContact OG-CB 3.42Å; S701-K704 VanDerWaalsContact OG-CD 3.3Å; S701-K704 WeakPolarHBondContact OG-CD 3.31Å; S701-K704 VanDerWaalsContact OG-CG 3.24Å; S701-K704 WeakPolarHBondContact OG-CG 3.35Å; S701-R705 WeakPolarHBondContact O-CG 3.25Å; S701-R705 PolarHBondContact O-N 3.37Å
702	K	71.8	Confident	74.2	Confident	182 Å²	182	60.9 Å²	60.9	79%	0.791	33%	0.333	S	S	*	.	H	α-helix	trans	-62.7	-38.9	178.6	-69.7	-174.2	176.8	-175.5	0	114	R705 A706	K702-R705 PolarHBondContact O-N 2.72Å; K702-A706 PolarHBondContact O-N 2.9Å; K702-A706 VanDerWaalsContact O-N 3.09Å
703	E	71.9	Confident	74.2	Confident	162 Å²	162	62.9 Å²	62.9	76%	0.757	35%	0.347	S	S	*	.	H	α-helix	trans	-62.7	-51.6	-179.8	-68.5	174.1	179	0	0	111.3	S701 R705 A706 D707	S701-E703 PolarHBondContact O-N 2.98Å; E703-R705 VanDerWaalsContact C-N 3.27Å; E703-R705 PolarHBondContact O-N 3.26Å; E703-A706 WeakPolarHBondContact O-CA 3.36Å; E703-A706 WeakPolarHBondContact O-CB 3.24Å; E703-A706 PolarHBondContact O-N 3.29Å; E703-D707 PolarHBondContact O-N 3.42Å; E703-D707 VanDerWaalsContact O-N 3.08Å
704	K	69.9	Low	74.4	Confident	85 Å²	85	65.6 Å²	65.6	37%	0.37	37%	0.365	S	S	.	.	H	α-helix	trans	-60.9	-33.1	176.5	-63.3	-176.5	172.4	-167.5	0	113.6	L631 S701 A706 L708	L631-K704 HydrophobicContact CD2-CB 3.71Å; L631-K704 HydrophobicContact CD2-CD 3.63Å; L631-K704 HydrophobicContact CD2-CG 3.82Å; S701-K704 VanDerWaalsContact OG-CB 3.27Å; S701-K704 WeakPolarHBondContact OG-CB 3.42Å; S701-K704 VanDerWaalsContact OG-CD 3.3Å; S701-K704 WeakPolarHBondContact OG-CD 3.31Å; S701-K704 VanDerWaalsContact OG-CG 3.24Å; S701-K704 WeakPolarHBondContact OG-CG 3.35Å; K704-A706 VanDerWaalsContact C-N 3.32Å; K704-L708 WeakPolarHBondContact O-CB 3.41Å; K704-L708 VanDerWaalsContact O-CG 3.28Å; K704-L708 WeakPolarHBondContact O-CG 3.08Å; K704-L708 PolarHBondContact O-N 2.87Å
705	R	70.8	Confident	74.6	Confident	105 Å²	105	60 Å²	60	40%	0.396	34%	0.339	S	S	.	.	H	α-helix	trans	-66.5	-35.1	173.5	-73.1	-177.2	-168.5	159.8	-1.5	111.9	C699 S701 K702 E703 S709	C699-R705 HydrophobicContact CB-CG 4.19Å; C699-R705 PolarHBondContact O-NE 3.44Å; C699-R705 PolarHBondContact O-NH2 3.44Å; S701-R705 WeakPolarHBondContact O-CG 3.25Å; S701-R705 PolarHBondContact O-N 3.37Å; K702-R705 PolarHBondContact O-N 2.72Å; E703-R705 VanDerWaalsContact C-N 3.27Å; E703-R705 PolarHBondContact O-N 3.26Å; R705-S709 WeakPolarHBondContact O-CB 3.2Å; R705-S709 PolarHBondContact O-N 3.42Å; R705-S709 PolarHBondContact O-OG 3.29Å
706	A	74.7	Confident	75.1	Confident	49 Å²	49	59.3 Å²	59.3	41%	0.405	34%	0.336	S	S	.	.	H	α-helix	trans	-67	-48.3	175.5	0	0	0	0	0	110.9	K702 E703 K704 L708 S709 E710	K702-A706 PolarHBondContact O-N 2.9Å; K702-A706 VanDerWaalsContact O-N 3.09Å; E703-A706 WeakPolarHBondContact O-CA 3.36Å; E703-A706 WeakPolarHBondContact O-CB 3.24Å; E703-A706 PolarHBondContact O-N 3.29Å; K704-A706 VanDerWaalsContact C-N 3.32Å; A706-L708 VanDerWaalsContact C-N 3.31Å; A706-L708 PolarHBondContact O-N 2.92Å; A706-S709 PolarHBondContact O-N 3.19Å; A706-S709 VanDerWaalsContact O-N 3.08Å; A706-S709 PolarHBondContact O-OG 2.83Å; A706-E710 PolarHBondContact O-N 2.87Å
707	D	74.1	Confident	76	Confident	87 Å²	87	61.5 Å²	61.5	47%	0.465	35%	0.346	S	S	.	.	H	α-helix	trans	-59	-42.4	177.1	-58.5	-23.1	0	0	0	111.7	E703 E710 A711	E703-D707 PolarHBondContact O-N 3.42Å; E703-D707 VanDerWaalsContact O-N 3.08Å; D707-E710 PolarHBondContact O-N 3.18Å; D707-A711 PolarHBondContact O-N 2.77Å
708	L	74.1	Confident	76.7	Confident	0 Å²	0	61.7 Å²	61.7	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-60.1	-46	173.1	-81.7	169.1	0	0	0	112.3	L631 W634 L635 M696 K704 A706 E710 A711 L712	L631-L708 HydrophobicContact CD1-CD1 3.6Å; L631-L708 HydrophobicContact CD1-CD2 3.08Å; L631-L708 HydrophobicContact CD1-CG 3.31Å; W634-L708 HydrophobicContact CE3-CD2 3.55Å; W634-L708 HydrophobicContact CZ3-CD2 3.67Å; L635-L708 HydrophobicContact CD2-CD2 4.35Å; M696-L708 HydrophobicContact CB-CD1 4.3Å; M696-L708 HydrophobicContact CG-CB 3.67Å; M696-L708 HydrophobicContact CG-CD1 3.44Å; M696-L708 VanDerWaalsContact CG-CD1 3.44Å; M696-L708 HydrophobicContact CG-CD2 4.42Å; M696-L708 HydrophobicContact CG-CG 4.03Å; M696-L708 HydrophobicContact SD-CB 3.95Å; K704-L708 WeakPolarHBondContact O-CB 3.41Å; K704-L708 VanDerWaalsContact O-CG 3.28Å; K704-L708 WeakPolarHBondContact O-CG 3.08Å; K704-L708 PolarHBondContact O-N 2.87Å; A706-L708 VanDerWaalsContact C-N 3.31Å; A706-L708 PolarHBondContact O-N 2.92Å; L708-E710 VanDerWaalsContact C-N 3.28Å; L708-E710 PolarHBondContact O-N 2.78Å; L708-A711 PolarHBondContact O-N 2.77Å; L708-L712 VanDerWaalsContact O-CB 3.25Å; L708-L712 WeakPolarHBondContact O-CB 3.41Å; L708-L712 WeakPolarHBondContact O-CG 3.17Å; L708-L712 PolarHBondContact O-N 2.81Å
709	S	74.3	Confident	77.3	Confident	29 Å²	29	59.5 Å²	59.5	20%	0.203	32%	0.317	C	S	.	.	H	α-helix	trans	-64.5	-35.5	179.5	73.7	0	0	0	0	112.1	R705 A706 S713	R705-S709 WeakPolarHBondContact O-CB 3.2Å; R705-S709 PolarHBondContact O-N 3.42Å; R705-S709 PolarHBondContact O-OG 3.29Å; A706-S709 PolarHBondContact O-N 3.19Å; A706-S709 VanDerWaalsContact O-N 3.08Å; A706-S709 PolarHBondContact O-OG 2.83Å; S709-S713 VanDerWaalsContact O-CB 3.25Å; S709-S713 WeakPolarHBondContact O-CB 3.02Å; S709-S713 PolarHBondContact O-N 3.07Å
710	E	80.5	Confident	78.1	Confident	147 Å²	147	59 Å²	59	69%	0.687	31%	0.314	S	S	*	.	H	α-helix	trans	-68.8	-40.1	176.6	-172.5	174.4	178.7	0	0	111.5	A706 D707 L708 P714	A706-E710 PolarHBondContact O-N 2.87Å; D707-E710 PolarHBondContact O-N 3.18Å; L708-E710 VanDerWaalsContact C-N 3.28Å; L708-E710 PolarHBondContact O-N 2.78Å; E710-P714 WeakPolarHBondContact O-CD 3.24Å
711	A	79.8	Confident	79.2	Confident	24 Å²	24	59.2 Å²	59.2	20%	0.198	30%	0.298	C	S	.	.	H	α-helix	trans	-75.1	-35.7	176.8	0	0	0	0	0	113.6	W634 L635 D707 L708 P714	W634-A711 HydrophobicContact CZ3-CB 4.21Å; L635-A711 HydrophobicContact CD2-CB 3.35Å; D707-A711 PolarHBondContact O-N 2.77Å; L708-A711 PolarHBondContact O-N 2.77Å; A711-P714 VanDerWaalsContact O-CD 3.31Å; A711-P714 WeakPolarHBondContact O-CD 3.43Å; A711-P714 WeakPolarHBondContact O-CG 3.09Å
712	L	81.8	Confident	79.7	Confident	0 Å²	0	57.1 Å²	57.1	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-72.1	-36.6	177.2	-83	167.9	0	0	0	112.9	W634 M696 L708 L715 L716	W634-L712 HydrophobicContact CH2-CB 4.41Å; W634-L712 HydrophobicContact CH2-CD1 4.27Å; W634-L712 HydrophobicContact CH2-CD2 3.22Å; W634-L712 HydrophobicContact CH2-CG 3.31Å; W634-L712 HydrophobicContact CZ2-CD2 3.3Å; W634-L712 HydrophobicContact CZ2-CG 3.93Å; W634-L712 HydrophobicContact CZ3-CD2 4.33Å; W634-L712 HydrophobicContact CZ3-CG 4.04Å; M696-L712 HydrophobicContact CE-CD1 3.14Å; M696-L712 HydrophobicContact CG-CD1 4.07Å; M696-L712 HydrophobicContact SD-CD1 3.4Å; M696-L712 WeakPolarHBondContact SD-CD1 3.25Å; L708-L712 VanDerWaalsContact O-CB 3.25Å; L708-L712 WeakPolarHBondContact O-CB 3.41Å; L708-L712 WeakPolarHBondContact O-CG 3.17Å; L708-L712 PolarHBondContact O-N 2.81Å; L712-L715 PolarHBondContact O-N 3.35Å; L712-L716 HydrophobicContact CB-CD1 4.23Å; L712-L716 WeakPolarHBondContact O-CB 3.49Å; L712-L716 WeakPolarHBondContact O-CG 3.33Å; L712-L716 PolarHBondContact O-N 2.94Å
713	S	81.5	Confident	80.4	Confident	41 Å²	41	48.6 Å²	48.6	29%	0.287	25%	0.246	S	C	.	.	H	α-helix	trans	-51.4	-52.5	-178.7	-179.6	0	0	0	0	113.8	S709 L715 H717	S709-S713 VanDerWaalsContact O-CB 3.25Å; S709-S713 WeakPolarHBondContact O-CB 3.02Å; S709-S713 PolarHBondContact O-N 3.07Å; S713-L715 PolarHBondContact O-N 3.43Å; S713-H717 WeakPolarHBondContact O-CB 3.46Å; S713-H717 PolarHBondContact O-N 3.48Å
714	P	83.7	Confident	81.1	Confident	62 Å²	62	42.4 Å²	42.4	40%	0.403	22%	0.218	S	C	.	.	H	α-helix	trans	-66.9	-35.9	178.8	26.3	-34.8	0	0	0	112.6	E710 A711 R718	E710-P714 WeakPolarHBondContact O-CD 3.24Å; A711-P714 VanDerWaalsContact O-CD 3.31Å; A711-P714 WeakPolarHBondContact O-CD 3.43Å; A711-P714 WeakPolarHBondContact O-CG 3.09Å; P714-R718 WeakPolarHBondContact O-CB 3.4Å; P714-R718 PolarHBondContact O-N 2.86Å
715	L	84.7	Confident	81.8	Confident	0 Å²	0	41.8 Å²	41.8	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-66.2	-52.9	177.6	-177	137	0	0	0	110.8	T638 I641 A689 L712 S713 H717 R718 T719	T638-L715 HydrophobicContact CG2-CB 4.46Å; T638-L715 HydrophobicContact CG2-CD1 3.92Å; I641-L715 HydrophobicContact CG2-CD1 4.46Å; A689-L715 HydrophobicContact CB-CD2 3.59Å; L712-L715 PolarHBondContact O-N 3.35Å; S713-L715 PolarHBondContact O-N 3.43Å; L715-H717 VanDerWaalsContact C-N 3.32Å; L715-H717 PolarHBondContact O-N 3.4Å; L715-R718 PolarHBondContact O-N 3.47Å; L715-T719 WeakPolarHBondContact O-CB 3.14Å; L715-T719 PolarHBondContact O-N 3.33Å; L715-T719 PolarHBondContact O-OG1 2.84Å
716	L	85	Confident	82.5	Confident	2 Å²	2	37.1 Å²	37.1	1%	0.01	20%	0.199	C	C	.	.	H	α-helix	trans	-58.6	-44.9	175.9	-71.8	173.4	0	0	0	111.2	A689 L712 R718 T719 I720 L757 L761 L769 L773	A689-L716 HydrophobicContact CB-CD2 3.87Å; L712-L716 HydrophobicContact CB-CD1 4.23Å; L712-L716 WeakPolarHBondContact O-CB 3.49Å; L712-L716 WeakPolarHBondContact O-CG 3.33Å; L712-L716 PolarHBondContact O-N 2.94Å; L716-R718 VanDerWaalsContact C-N 3.31Å; L716-R718 PolarHBondContact O-N 3.19Å; L716-T719 PolarHBondContact O-N 2.81Å; L716-I720 HydrophobicContact CB-CD1 4.46Å; L716-I720 VanDerWaalsContact O-CB 3.26Å; L716-I720 WeakPolarHBondContact O-CB 3.16Å; L716-I720 WeakPolarHBondContact O-CD1 3.34Å; L716-I720 WeakPolarHBondContact O-CG1 3.4Å; L716-I720 PolarHBondContact O-N 2.84Å; L716-L757 HydrophobicContact CD2-CD1 3.99Å; L716-L757 HydrophobicContact CD2-CD2 3.77Å; L716-L757 HydrophobicContact CD2-CG 4Å; L716-L761 HydrophobicContact CD1-CD1 4.42Å; L716-L761 HydrophobicContact CD1-CD2 4.13Å; L716-L769 HydrophobicContact CD1-CD2 4.3Å; L716-L773 HydrophobicContact CB-CD1 3.78Å; L716-L773 HydrophobicContact CD1-CD1 4.01Å
717	H	86.8	Confident	83	Confident	52 Å²	52	35.8 Å²	35.8	24%	0.241	19%	0.185	C	C	.	.	H	α-helix	trans	-55.6	-48.8	176.7	-177	59.3	0	0	0	110.8	S713 L715 K721 L773 K776 Y777	S713-H717 WeakPolarHBondContact O-CB 3.46Å; S713-H717 PolarHBondContact O-N 3.48Å; L715-H717 VanDerWaalsContact C-N 3.32Å; L715-H717 PolarHBondContact O-N 3.4Å; H717-K721 WeakPolarHBondContact O-CB 3.34Å; H717-K721 PolarHBondContact O-N 3.36Å; H717-L773 HydrophobicContact CB-CD2 4.15Å; H717-K776 WeakPolarHBondContact CE1-CE 3.27Å; H717-K776 PolarHBondContact CE1-NZ 3.39Å; H717-K776 PolarHBondContact NE2-NZ 2.83Å; H717-Y777 AromaticContact CE1-CE2 4Å; H717-Y777 AromaticContact CE1-CZ 3.45Å; H717-Y777 VanDerWaalsContact CE1-CZ 3.45Å; H717-Y777 PolarHBondContact CE1-OH 3.28Å; H717-Y777 AromaticContact ND1-CE2 3.53Å; H717-Y777 AromaticContact ND1-CZ 3.43Å; H717-Y777 PolarHBondContact ND1-OH 3.15Å; H717-Y777 PolarHBondContact O-OH 3.19Å
718	R	85.8	Confident	83.4	Confident	68 Å²	68	37.4 Å²	37.4	26%	0.257	19%	0.188	S	C	.	.	H	α-helix	trans	-68	-45.2	-178.5	178.7	-178.4	-73.4	175.5	-7	113	N642 V646 P714 L715 L716 K721 S722	N642-R718 PolarHBondContact O-NH1 3.46Å; N642-R718 PolarHBondContact OD1-NH1 2.83Å; V646-R718 VanDerWaalsContact CG2-NH2 3.33Å; P714-R718 WeakPolarHBondContact O-CB 3.4Å; P714-R718 PolarHBondContact O-N 2.86Å; L715-R718 PolarHBondContact O-N 3.47Å; L716-R718 VanDerWaalsContact C-N 3.31Å; L716-R718 PolarHBondContact O-N 3.19Å; R718-K721 PolarHBondContact O-N 2.93Å; R718-S722 WeakPolarHBondContact O-CB 3.46Å; R718-S722 PolarHBondContact O-N 3.42Å; R718-S722 PolarHBondContact O-OG 3Å
719	T	85.5	Confident	83.8	Confident	2 Å²	2	38.1 Å²	38.1	1%	0.012	19%	0.192	C	C	.	.	H	α-helix	trans	-62.9	-50.1	178.7	-55	0	0	0	0	110.3	Q685 V686 L715 L716 K721 S722 F723	Q685-T719 HydrophobicContact CB-CG2 3.96Å; Q685-T719 PolarHBondContact OE1-OG1 3.18Å; V686-T719 HydrophobicContact CG2-CG2 3.77Å; L715-T719 WeakPolarHBondContact O-CB 3.14Å; L715-T719 PolarHBondContact O-N 3.33Å; L715-T719 PolarHBondContact O-OG1 2.84Å; L716-T719 PolarHBondContact O-N 2.81Å; T719-K721 VanDerWaalsContact C-N 3.34Å; T719-K721 PolarHBondContact O-N 2.78Å; T719-S722 PolarHBondContact O-N 3.04Å; T719-F723 VanDerWaalsContact O-CB 3.28Å; T719-F723 WeakPolarHBondContact O-CB 3.15Å; T719-F723 PolarHBondContact O-N 3.45Å
720	I	86.3	Confident	84.3	Confident	2 Å²	2	36.7 Å²	36.7	1%	0.01	18%	0.182	C	C	.	.	H	α-helix	trans	-62.2	-43	179.3	-65.4	168	0	0	0	110.6	L716 S722 F723 L724 V754 L757 L758 L773 Y777	L716-I720 HydrophobicContact CB-CD1 4.46Å; L716-I720 VanDerWaalsContact O-CB 3.26Å; L716-I720 WeakPolarHBondContact O-CB 3.16Å; L716-I720 WeakPolarHBondContact O-CD1 3.34Å; L716-I720 WeakPolarHBondContact O-CG1 3.4Å; L716-I720 PolarHBondContact O-N 2.84Å; I720-S722 PolarHBondContact O-N 3.18Å; I720-F723 PolarHBondContact O-N 3.46Å; I720-L724 HydrophobicContact CG2-CD1 3.68Å; I720-L724 HydrophobicContact CG2-CG 4.18Å; I720-L724 WeakPolarHBondContact O-CB 3.36Å; I720-L724 VanDerWaalsContact O-CG 3.28Å; I720-L724 WeakPolarHBondContact O-CG 3.3Å; I720-L724 PolarHBondContact O-N 3.12Å; I720-V754 HydrophobicContact CG1-CG1 4.43Å; I720-V754 HydrophobicContact CG2-CG1 3.98Å; I720-L757 HydrophobicContact CG1-CD2 4.25Å; I720-L758 HydrophobicContact CD1-CD2 3.97Å; I720-L758 HydrophobicContact CD1-CG 4.41Å; I720-L773 HydrophobicContact CD1-CB 4.42Å; I720-L773 HydrophobicContact CD1-CD1 4.17Å; I720-Y777 HydrophobicContact CB-CD2 4.13Å; I720-Y777 HydrophobicContact CB-CE2 3.91Å; I720-Y777 HydrophobicContact CG2-CD1 4.47Å; I720-Y777 HydrophobicContact CG2-CD2 3.38Å; I720-Y777 HydrophobicContact CG2-CE2 3.64Å; I720-Y777 HydrophobicContact CG2-CG 3.82Å
721	K	87	Confident	84.4	Confident	96 Å²	96	34.9 Å²	34.9	42%	0.417	17%	0.174	S	C	.	.	H	α-helix	trans	-53.6	-56	175.9	-163.9	176.3	163.6	-177.4	0	111.3	H717 R718 T719 F723 L724 E725 Y777	H717-K721 WeakPolarHBondContact O-CB 3.34Å; H717-K721 PolarHBondContact O-N 3.36Å; R718-K721 PolarHBondContact O-N 2.93Å; T719-K721 VanDerWaalsContact C-N 3.34Å; T719-K721 PolarHBondContact O-N 2.78Å; K721-F723 VanDerWaalsContact C-N 3.31Å; K721-F723 PolarHBondContact O-N 3.22Å; K721-L724 PolarHBondContact O-N 3.22Å; K721-E725 WeakPolarHBondContact CE-OE1 3.36Å; K721-E725 IonicContact NZ-OE1 3.27Å; K721-E725 WeakPolarHBondContact O-CB 3.42Å; K721-E725 WeakPolarHBondContact O-CG 3.47Å; K721-E725 PolarHBondContact O-N 3.13Å; K721-Y777 HydrophobicContact CB-CE1 4.12Å; K721-Y777 WeakPolarHBondContact CB-OH 3.41Å; K721-Y777 HydrophobicContact CG-CE1 4.2Å
722	S	84.4	Confident	84.5	Confident	4 Å²	4	38.2 Å²	38.2	3%	0.028	19%	0.185	C	C	.	.	H	α-helix	trans	-66	-38.8	-173.1	-54.1	0	0	0	0	110.7	Q649 R718 T719 I720 E725 V726	Q649-S722 PolarHBondContact NE2-OG 3.14Å; R718-S722 WeakPolarHBondContact O-CB 3.46Å; R718-S722 PolarHBondContact O-N 3.42Å; R718-S722 PolarHBondContact O-OG 3Å; T719-S722 PolarHBondContact O-N 3.04Å; I720-S722 PolarHBondContact O-N 3.18Å; S722-E725 PolarHBondContact O-N 2.75Å; S722-V726 WeakPolarHBondContact O-CB 3.44Å; S722-V726 VanDerWaalsContact O-CG2 3.24Å; S722-V726 WeakPolarHBondContact O-CG2 3.23Å; S722-V726 PolarHBondContact O-N 2.88Å
723	F	86.6	Confident	84.3	Confident	4 Å²	4	38.5 Å²	38.5	2%	0.018	19%	0.186	C	C	.	.	H	α-helix	trans	-64.9	-45.8	177.1	-151.2	-78	0	0	0	111.8	V678 L682 T719 I720 K721 V726 L727 N750 T753 V754	V678-F723 HydrophobicContact CG1-CE2 4.11Å; L682-F723 HydrophobicContact CB-CD2 4Å; L682-F723 HydrophobicContact CB-CE2 4.39Å; L682-F723 HydrophobicContact CD1-CB 4.29Å; L682-F723 HydrophobicContact CD1-CD2 3.84Å; L682-F723 HydrophobicContact CD1-CG 4.32Å; T719-F723 VanDerWaalsContact O-CB 3.28Å; T719-F723 WeakPolarHBondContact O-CB 3.15Å; T719-F723 PolarHBondContact O-N 3.45Å; I720-F723 PolarHBondContact O-N 3.46Å; K721-F723 VanDerWaalsContact C-N 3.31Å; K721-F723 PolarHBondContact O-N 3.22Å; F723-V726 PolarHBondContact O-N 3.24Å; F723-L727 HydrophobicContact CD1-CD1 3.69Å; F723-L727 HydrophobicContact CD1-CG 3.97Å; F723-L727 HydrophobicContact CE1-CD1 3.81Å; F723-L727 HydrophobicContact CE1-CD2 4.38Å; F723-L727 HydrophobicContact CE1-CG 4.08Å; F723-L727 WeakPolarHBondContact O-CG 3.24Å; F723-L727 PolarHBondContact O-N 3.47Å; F723-N750 HydrophobicContact CE1-CB 3.7Å; F723-N750 VanDerWaalsContact CE1-O 3.26Å; F723-N750 WeakPolarHBondContact CE1-O 3.47Å; F723-N750 HydrophobicContact CZ-CB 3.63Å; F723-N750 WeakPolarHBondContact CZ-OD1 3.48Å; F723-T753 HydrophobicContact CE2-CG2 4.08Å; F723-T753 HydrophobicContact CZ-CG2 3.99Å; F723-V754 HydrophobicContact CB-CG2 4.07Å; F723-V754 HydrophobicContact CD1-CG2 3.5Å; F723-V754 HydrophobicContact CE1-CG2 4.13Å; F723-V754 HydrophobicContact CG-CG2 3.92Å
724	L	85.4	Confident	84.1	Confident	31 Å²	31	37.1 Å²	37.1	16%	0.162	18%	0.177	C	C	.	.	H	α-helix	trans	-67.8	-36.5	177.5	-69	175.3	0	0	0	112.6	I720 K721 V726 L727 K728 V754 Y777	I720-L724 HydrophobicContact CG2-CD1 3.68Å; I720-L724 HydrophobicContact CG2-CG 4.18Å; I720-L724 WeakPolarHBondContact O-CB 3.36Å; I720-L724 VanDerWaalsContact O-CG 3.28Å; I720-L724 WeakPolarHBondContact O-CG 3.3Å; I720-L724 PolarHBondContact O-N 3.12Å; K721-L724 PolarHBondContact O-N 3.22Å; L724-V726 VanDerWaalsContact C-N 3.34Å; L724-L727 PolarHBondContact O-N 3.39Å; L724-K728 WeakPolarHBondContact O-CB 3.33Å; L724-K728 VanDerWaalsContact O-CG 3.23Å; L724-K728 WeakPolarHBondContact O-CG 3.22Å; L724-K728 PolarHBondContact O-N 3.43Å; L724-V754 HydrophobicContact CD2-CG2 4.36Å; L724-Y777 HydrophobicContact CD1-CD1 3.86Å; L724-Y777 HydrophobicContact CD1-CG 3.83Å
725	E	84.9	Confident	83.8	Confident	73 Å²	73	40.6 Å²	40.6	34%	0.341	19%	0.192	S	C	.	.	H	α-helix	trans	-63.4	-41.3	174	-76.4	174.7	178.6	0	0	111.4	I653 K721 S722 L729	I653-E725 HydrophobicContact CG2-CB 4.24Å; K721-E725 WeakPolarHBondContact CE-OE1 3.36Å; K721-E725 IonicContact NZ-OE1 3.27Å; K721-E725 WeakPolarHBondContact O-CB 3.42Å; K721-E725 WeakPolarHBondContact O-CG 3.47Å; K721-E725 PolarHBondContact O-N 3.13Å; S722-E725 PolarHBondContact O-N 2.75Å; E725-L729 WeakPolarHBondContact O-CB 3.47Å; E725-L729 PolarHBondContact O-N 3.26Å
726	V	85.7	Confident	83.2	Confident	7 Å²	7	44 Å²	44	4%	0.042	22%	0.216	C	C	.	.	H	α-helix	trans	-66.1	-43.4	175.1	167.9	0	0	0	0	111.8	L674 Y677 V678 L682 S722 F723 L724 L729 A730 F746	L674-V726 HydrophobicContact CD2-CG1 4.29Å; Y677-V726 HydrophobicContact CD1-CG2 3.9Å; Y677-V726 HydrophobicContact CE1-CG2 3.89Å; V678-V726 HydrophobicContact CG2-CG1 4.16Å; L682-V726 HydrophobicContact CD1-CG2 4.28Å; S722-V726 WeakPolarHBondContact O-CB 3.44Å; S722-V726 VanDerWaalsContact O-CG2 3.24Å; S722-V726 WeakPolarHBondContact O-CG2 3.23Å; S722-V726 PolarHBondContact O-N 2.88Å; F723-V726 PolarHBondContact O-N 3.24Å; L724-V726 VanDerWaalsContact C-N 3.34Å; V726-L729 PolarHBondContact O-N 3.45Å; V726-A730 PolarHBondContact O-N 3.08Å; V726-F746 HydrophobicContact CG1-CE1 4.1Å; V726-F746 HydrophobicContact CG1-CZ 3.78Å
727	L	84.7	Confident	82.3	Confident	20 Å²	20	45.4 Å²	45.4	11%	0.105	22%	0.223	C	C	.	.	H	α-helix	trans	-64	-43.2	177.2	-74.1	177.5	0	0	0	112.1	F723 L724 L729 A730 E731 F746 N750	F723-L727 HydrophobicContact CD1-CD1 3.69Å; F723-L727 HydrophobicContact CD1-CG 3.97Å; F723-L727 HydrophobicContact CE1-CD1 3.81Å; F723-L727 HydrophobicContact CE1-CD2 4.38Å; F723-L727 HydrophobicContact CE1-CG 4.08Å; F723-L727 WeakPolarHBondContact O-CG 3.24Å; F723-L727 PolarHBondContact O-N 3.47Å; L724-L727 PolarHBondContact O-N 3.39Å; L727-L729 VanDerWaalsContact C-N 3.33Å; L727-L729 PolarHBondContact O-N 2.82Å; L727-A730 WeakPolarHBondContact O-CB 3.5Å; L727-A730 PolarHBondContact O-N 3.35Å; L727-E731 PolarHBondContact O-N 2.78Å; L727-F746 HydrophobicContact CD2-CE1 4.43Å; L727-N750 HydrophobicContact CD2-CB 3.89Å
728	K	83.9	Confident	80.9	Confident	122 Å²	122	47.1 Å²	47.1	53%	0.53	24%	0.239	S	C	.	.	H	α-helix	trans	-61.8	-41.9	174.2	-74.9	173.5	-177	178.5	0	111.6	L724 A730 E731 E732	L724-K728 WeakPolarHBondContact O-CB 3.33Å; L724-K728 VanDerWaalsContact O-CG 3.23Å; L724-K728 WeakPolarHBondContact O-CG 3.22Å; L724-K728 PolarHBondContact O-N 3.43Å; K728-A730 VanDerWaalsContact C-N 3.34Å; K728-E731 WeakPolarHBondContact O-CB 3.34Å; K728-E731 PolarHBondContact O-N 3.45Å; K728-E732 WeakPolarHBondContact O-CG 3.32Å; K728-E732 PolarHBondContact O-N 3.15Å
729	L	82.1	Confident	79.6	Confident	14 Å²	14	47.7 Å²	47.7	7%	0.073	26%	0.259	C	S	.	.	H	α-helix	trans	-62.6	-42.9	175.2	-177.5	63.3	0	0	0	111.1	K657 L660 L674 E725 V726 L727 E731 E732 L733	K657-L729 HydrophobicContact CB-CD1 4.08Å; K657-L729 HydrophobicContact CD-CD1 4.45Å; K657-L729 HydrophobicContact CG-CD1 3.89Å; L660-L729 HydrophobicContact CD1-CD2 4.1Å; L674-L729 HydrophobicContact CD2-CD2 4.23Å; E725-L729 WeakPolarHBondContact O-CB 3.47Å; E725-L729 PolarHBondContact O-N 3.26Å; V726-L729 PolarHBondContact O-N 3.45Å; L727-L729 VanDerWaalsContact C-N 3.33Å; L727-L729 PolarHBondContact O-N 2.82Å; L729-E731 VanDerWaalsContact C-N 3.28Å; L729-E731 PolarHBondContact O-N 3.47Å; L729-E732 PolarHBondContact O-N 2.84Å; L729-L733 HydrophobicContact CD1-CD1 4.28Å; L729-L733 HydrophobicContact CD1-CG 4.35Å; L729-L733 HydrophobicContact CG-CD1 3.98Å; L729-L733 HydrophobicContact CG-CG 4.47Å; L729-L733 WeakPolarHBondContact O-CB 3.42Å; L729-L733 WeakPolarHBondContact O-CG 3.5Å; L729-L733 PolarHBondContact O-N 3.13Å
730	A	83.4	Confident	78.6	Confident	0 Å²	0	48.6 Å²	48.6	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-60.4	-38.8	175.1	0	0	0	0	0	111.8	L674 V726 L727 K728 L733 A734 F746 Q747	L674-A730 HydrophobicContact CD1-CB 4Å; V726-A730 PolarHBondContact O-N 3.08Å; L727-A730 WeakPolarHBondContact O-CB 3.5Å; L727-A730 PolarHBondContact O-N 3.35Å; K728-A730 VanDerWaalsContact C-N 3.34Å; A730-L733 PolarHBondContact O-N 2.92Å; A730-A734 VanDerWaalsContact O-CB 3.28Å; A730-A734 WeakPolarHBondContact O-CB 3.42Å; A730-A734 PolarHBondContact O-N 3.25Å; A730-F746 HydrophobicContact CB-CD1 3.99Å; A730-F746 HydrophobicContact CB-CE1 3.95Å; A730-Q747 HydrophobicContact CB-CG 4.06Å
731	E	82.7	Confident	78.1	Confident	109 Å²	109	54 Å²	54	51%	0.509	29%	0.293	S	S	.	.	H	α-helix	trans	-66.1	-49.1	176.4	-167.7	-176.2	176.4	0	0	112.2	L727 K728 L729 L733 A734 L735 Q747	L727-E731 PolarHBondContact O-N 2.78Å; K728-E731 WeakPolarHBondContact O-CB 3.34Å; K728-E731 PolarHBondContact O-N 3.45Å; L729-E731 VanDerWaalsContact C-N 3.28Å; L729-E731 PolarHBondContact O-N 3.47Å; E731-L733 PolarHBondContact O-N 2.82Å; E731-A734 PolarHBondContact O-N 2.83Å; E731-L735 WeakPolarHBondContact O-CG 3.33Å; E731-L735 PolarHBondContact O-N 3.46Å; E731-Q747 VanDerWaalsContact N-NE2 3.19Å
732	E	81.9	Confident	77.7	Confident	93 Å²	93	54.2 Å²	54.2	44%	0.435	30%	0.3	S	S	.	.	H	α-helix	trans	-56.2	-41	174.9	-72.7	178.2	-175	0	0	111.2	K657 K728 L729 S736	K657-E732 WeakPolarHBondContact CE-OE2 3.18Å; K657-E732 IonicContact NZ-OE1 3.75Å; K657-E732 PolarHBondContact NZ-OE1 2.85Å; K657-E732 VanDerWaalsContact NZ-OE1 3.07Å; K657-E732 IonicContact NZ-OE2 3.61Å; K657-E732 PolarHBondContact NZ-OE2 3.28Å; K728-E732 WeakPolarHBondContact O-CG 3.32Å; K728-E732 PolarHBondContact O-N 3.15Å; L729-E732 PolarHBondContact O-N 2.84Å; E732-S736 PolarHBondContact O-N 3.09Å
733	L	78.7	Confident	77.5	Confident	6 Å²	6	54.2 Å²	54.2	3%	0.031	30%	0.299	C	S	.	.	H	α-helix	trans	-71.5	-39.8	178.4	-67.3	171.2	0	0	0	112.4	L660 L674 L729 A730 E731 L735 S736 D737 L743	L660-L733 HydrophobicContact CB-CD1 3.99Å; L660-L733 HydrophobicContact CB-CD2 4.13Å; L660-L733 HydrophobicContact CD1-CD1 4.1Å; L674-L733 HydrophobicContact CD1-CD1 4.3Å; L729-L733 HydrophobicContact CD1-CD1 4.28Å; L729-L733 HydrophobicContact CD1-CG 4.35Å; L729-L733 HydrophobicContact CG-CD1 3.98Å; L729-L733 HydrophobicContact CG-CG 4.47Å; L729-L733 WeakPolarHBondContact O-CB 3.42Å; L729-L733 WeakPolarHBondContact O-CG 3.5Å; L729-L733 PolarHBondContact O-N 3.13Å; A730-L733 PolarHBondContact O-N 2.92Å; E731-L733 PolarHBondContact O-N 2.82Å; L733-L735 VanDerWaalsContact C-N 3.32Å; L733-L735 PolarHBondContact O-N 3.31Å; L733-S736 WeakPolarHBondContact O-CB 3.46Å; L733-S736 PolarHBondContact O-N 3.47Å; L733-S736 VanDerWaalsContact O-N 3.14Å; L733-S736 PolarHBondContact O-OG 2.95Å; L733-D737 PolarHBondContact O-N 3.48Å; L733-D737 VanDerWaalsContact O-N 3.11Å; L733-L743 HydrophobicContact CB-CD1 3.82Å
734	A	77.9	Confident	77.1	Confident	12 Å²	12	59.5 Å²	59.5	10%	0.099	32%	0.319	C	S	.	.	H	α-helix	trans	-67.6	-30.9	177.2	0	0	0	0	0	112.6	A730 E731 S736 D737 L743	A730-A734 VanDerWaalsContact O-CB 3.28Å; A730-A734 WeakPolarHBondContact O-CB 3.42Å; A730-A734 PolarHBondContact O-N 3.25Å; E731-A734 PolarHBondContact O-N 2.83Å; A734-S736 VanDerWaalsContact C-N 3.32Å; A734-D737 CarbonylContact O-C 3.44Å; A734-L743 HydrophobicContact CB-CB 4.31Å; A734-L743 HydrophobicContact CB-CD1 4.47Å
735	L	77	Confident	76.9	Confident	136 Å²	136	60.4 Å²	60.4	71%	0.712	33%	0.328	S	S	*	.	H	α-helix	trans	-67.4	-34	171.2	-70.9	168	0	0	0	111.9	E731 L733	E731-L735 WeakPolarHBondContact O-CG 3.33Å; E731-L735 PolarHBondContact O-N 3.46Å; L733-L735 VanDerWaalsContact C-N 3.32Å; L733-L735 PolarHBondContact O-N 3.31Å
736	S	71.5	Confident	76.9	Confident	72 Å²	72	57 Å²	57	50%	0.503	31%	0.312	S	S	.	.	H	α-helix	trans	-74.8	-29.3	178.4	78.9	0	0	0	0	113.5	R670 E732 L733 A734	R670-S736 PolarHBondContact NH1-OG 3.5Å; E732-S736 PolarHBondContact O-N 3.09Å; L733-S736 WeakPolarHBondContact O-CB 3.46Å; L733-S736 PolarHBondContact O-N 3.47Å; L733-S736 VanDerWaalsContact O-N 3.14Å; L733-S736 PolarHBondContact O-OG 2.95Å; A734-S736 VanDerWaalsContact C-N 3.32Å
737	D	67.1	Low	76.6	Confident	30 Å²	30	58.4 Å²	58.4	16%	0.16	32%	0.318	C	S	.	.			trans	-133.9	89.3	-180	-173.8	4.8	0	0	0	111	L733 A734 A739 S740	L733-D737 PolarHBondContact O-N 3.48Å; L733-D737 VanDerWaalsContact O-N 3.11Å; A734-D737 CarbonylContact O-C 3.44Å; D737-A739 PolarHBondContact O-N 3.07Å; D737-A739 VanDerWaalsContact O-N 3.09Å; D737-A739 PolarHBondContact OD1-N 3.39Å; D737-S740 PolarHBondContact O-N 3.37Å; D737-S740 PolarHBondContact O-OG 2.87Å
738	P	57.3	Low	76.4	Confident	88 Å²	88	63.7 Å²	63.7	57%	0.571	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.5	-6.7	-176	26.6	-33.6	0	0	0	114.2	R744	P738-R744 PolarHBondContact O-NH2 3.07Å
739	A	58.2	Low	76.3	Confident	81 Å²	81	64.3 Å²	64.3	67%	0.669	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.9	-7	-178.8	0	0	0	0	0	113.8	D737 D741	D737-A739 PolarHBondContact O-N 3.07Å; D737-A739 VanDerWaalsContact O-N 3.09Å; D737-A739 PolarHBondContact OD1-N 3.39Å; A739-D741 PolarHBondContact O-N 3.13Å; A739-D741 VanDerWaalsContact O-N 3.13Å
740	S	64.8	Low	76.3	Confident	20 Å²	20	64.4 Å²	64.4	14%	0.14	35%	0.351	C	S	.	.			trans	-82.9	89.3	179.2	69.8	0	0	0	0	111.4	D737 D742 L743	D737-S740 PolarHBondContact O-N 3.37Å; D737-S740 PolarHBondContact O-OG 2.87Å; S740-D742 PolarHBondContact O-N 2.9Å; S740-L743 PolarHBondContact O-N 3.4Å; S740-L743 WeakPolarHBondContact OG-CD1 3.5Å
741	D	75	Confident	76	Confident	115 Å²	115	67.9 Å²	67.9	62%	0.615	37%	0.37	S	S	*	.	H	α-helix	trans	-58	-30.6	170.4	-74.8	-26	0	0	0	111.3	A739 L743 R744 S745	A739-D741 PolarHBondContact O-N 3.13Å; A739-D741 VanDerWaalsContact O-N 3.13Å; D741-L743 PolarHBondContact O-N 3.31Å; D741-R744 PolarHBondContact O-N 3.15Å; D741-S745 PolarHBondContact O-N 3.36Å; D741-S745 PolarHBondContact O-OG 3.24Å
742	D	79.8	Confident	76	Confident	102 Å²	102	65.1 Å²	65.1	55%	0.545	36%	0.362	S	S	.	.	H	α-helix	trans	-64.2	-34.2	-179.4	-57.1	-32.2	0	0	0	114.2	A671 S740 S745 F746	A671-D742 HydrophobicContact CB-CB 3.64Å; S740-D742 PolarHBondContact O-N 2.9Å; D742-S745 WeakPolarHBondContact CA-OG 3.32Å; D742-S745 PolarHBondContact O-OG 2.98Å; D742-F746 WeakPolarHBondContact O-CB 3.45Å; D742-F746 PolarHBondContact O-N 3.43Å; D742-F746 VanDerWaalsContact O-N 3.1Å
743	L	79.8	Confident	76	Confident	3 Å²	3	62.3 Å²	62.3	2%	0.016	35%	0.352	C	S	.	.	H	α-helix	trans	-74.6	-36.1	176.9	-74.4	178	0	0	0	111.3	R670 A671 L674 L733 A734 S740 D741 F746 Q747	R670-L743 HydrophobicContact CB-CD2 4.5Å; A671-L743 HydrophobicContact CB-CD2 3.97Å; A671-L743 HydrophobicContact CB-CG 4.39Å; L674-L743 HydrophobicContact CD1-CD2 3.97Å; L733-L743 HydrophobicContact CB-CD1 3.82Å; A734-L743 HydrophobicContact CB-CB 4.31Å; A734-L743 HydrophobicContact CB-CD1 4.47Å; S740-L743 PolarHBondContact O-N 3.4Å; S740-L743 WeakPolarHBondContact OG-CD1 3.5Å; D741-L743 PolarHBondContact O-N 3.31Å; L743-F746 PolarHBondContact O-N 3.14Å; L743-Q747 WeakPolarHBondContact O-CG 3.31Å; L743-Q747 PolarHBondContact O-N 3.12Å
744	R	78.2	Confident	76.2	Confident	115 Å²	115	62.4 Å²	62.4	43%	0.434	35%	0.353	S	S	.	.	H	α-helix	trans	-69	-39.4	176	-69.2	-176.4	-177.8	148.3	7	111.4	P738 D741 Q747 L748	P738-R744 PolarHBondContact O-NH2 3.07Å; D741-R744 PolarHBondContact O-N 3.15Å; R744-Q747 PolarHBondContact O-N 3.37Å; R744-L748 VanDerWaalsContact O-CG 3.3Å; R744-L748 WeakPolarHBondContact O-CG 3.31Å; R744-L748 PolarHBondContact O-N 2.88Å
745	S	81.5	Confident	76.4	Confident	50 Å²	50	65.1 Å²	65.1	35%	0.35	36%	0.362	S	S	.	.	H	α-helix	trans	-63.5	-42.8	173.7	60	0	0	0	0	111.4	D741 D742 Q747 L748 E749	D741-S745 PolarHBondContact O-N 3.36Å; D741-S745 PolarHBondContact O-OG 3.24Å; D742-S745 WeakPolarHBondContact CA-OG 3.32Å; D742-S745 PolarHBondContact O-OG 2.98Å; S745-Q747 VanDerWaalsContact C-N 3.33Å; S745-Q747 PolarHBondContact O-N 2.92Å; S745-L748 PolarHBondContact O-N 2.92Å; S745-E749 WeakPolarHBondContact O-CG 3.49Å; S745-E749 PolarHBondContact O-N 3.07Å
746	F	84.1	Confident	76.7	Confident	3 Å²	3	62.1 Å²	62.1	1%	0.013	35%	0.347	C	S	.	.	H	α-helix	trans	-58.4	-42.5	174.4	170	-93.7	0	0	0	112.5	L674 T675 V678 V726 L727 A730 D742 L743 N750	L674-F746 HydrophobicContact CB-CE1 4.19Å; L674-F746 HydrophobicContact CB-CE2 4.11Å; L674-F746 HydrophobicContact CB-CZ 3.87Å; L674-F746 HydrophobicContact CD1-CE1 4.48Å; T675-F746 WeakPolarHBondContact OG1-CD2 3.46Å; V678-F746 HydrophobicContact CB-CE2 4.18Å; V678-F746 HydrophobicContact CG2-CE2 3.61Å; V678-F746 HydrophobicContact CG2-CZ 3.52Å; V726-F746 HydrophobicContact CG1-CE1 4.1Å; V726-F746 HydrophobicContact CG1-CZ 3.78Å; L727-F746 HydrophobicContact CD2-CE1 4.43Å; A730-F746 HydrophobicContact CB-CD1 3.99Å; A730-F746 HydrophobicContact CB-CE1 3.95Å; D742-F746 WeakPolarHBondContact O-CB 3.45Å; D742-F746 PolarHBondContact O-N 3.43Å; D742-F746 VanDerWaalsContact O-N 3.1Å; L743-F746 PolarHBondContact O-N 3.14Å; F746-N750 VanDerWaalsContact CD2-ND2 3.3Å; F746-N750 WeakPolarHBondContact CD2-ND2 3.36Å; F746-N750 WeakPolarHBondContact CE2-ND2 3.45Å; F746-N750 WeakPolarHBondContact O-CB 3.19Å; F746-N750 PolarHBondContact O-N 2.93Å; F746-N750 PolarHBondContact O-ND2 3.19Å
747	Q	79.9	Confident	77.3	Confident	35 Å²	35	58.9 Å²	58.9	16%	0.164	32%	0.324	C	S	.	.	H	α-helix	trans	-63.3	-49.1	175.3	-73	176.8	-43.8	0	0	111.4	A730 E731 L743 R744 S745 E749 N750 D751	A730-Q747 HydrophobicContact CB-CG 4.06Å; E731-Q747 VanDerWaalsContact N-NE2 3.19Å; L743-Q747 WeakPolarHBondContact O-CG 3.31Å; L743-Q747 PolarHBondContact O-N 3.12Å; R744-Q747 PolarHBondContact O-N 3.37Å; S745-Q747 VanDerWaalsContact C-N 3.33Å; S745-Q747 PolarHBondContact O-N 2.92Å; Q747-E749 VanDerWaalsContact C-N 3.27Å; Q747-E749 PolarHBondContact O-N 2.84Å; Q747-N750 PolarHBondContact O-N 2.85Å; Q747-N750 VanDerWaalsContact O-N 3.09Å; Q747-D751 VanDerWaalsContact O-CB 3.23Å; Q747-D751 WeakPolarHBondContact O-CB 3.44Å; Q747-D751 VanDerWaalsContact O-CG 3.26Å; Q747-D751 PolarHBondContact O-N 2.71Å
748	L	80.5	Confident	78.1	Confident	132 Å²	132	57.5 Å²	57.5	69%	0.691	32%	0.317	S	S	*	.	H	α-helix	trans	-59.5	-36.7	-179.5	-72.9	169	0	0	0	113	R744 S745	R744-L748 VanDerWaalsContact O-CG 3.3Å; R744-L748 WeakPolarHBondContact O-CG 3.31Å; R744-L748 PolarHBondContact O-N 2.88Å; S745-L748 PolarHBondContact O-N 2.92Å
749	E	81.1	Confident	79.3	Confident	134 Å²	134	56.2 Å²	56.2	63%	0.626	30%	0.302	S	S	*	.	H	α-helix	trans	-70.1	-31.9	177.6	-73.5	175.2	-179.3	0	0	112.9	S745 Q747	S745-E749 WeakPolarHBondContact O-CG 3.49Å; S745-E749 PolarHBondContact O-N 3.07Å; Q747-E749 VanDerWaalsContact C-N 3.27Å; Q747-E749 PolarHBondContact O-N 2.84Å
750	N	82.3	Confident	80.3	Confident	17 Å²	17	55.9 Å²	55.9	9%	0.091	29%	0.286	C	S	.	.	H	α-helix	trans	-104.2	-16.3	-171.3	-72.6	-59.6	0	0	0	113.9	F723 L727 F746 Q747 S752 T753	F723-N750 HydrophobicContact CE1-CB 3.7Å; F723-N750 VanDerWaalsContact CE1-O 3.26Å; F723-N750 WeakPolarHBondContact CE1-O 3.47Å; F723-N750 HydrophobicContact CZ-CB 3.63Å; F723-N750 WeakPolarHBondContact CZ-OD1 3.48Å; L727-N750 HydrophobicContact CD2-CB 3.89Å; F746-N750 VanDerWaalsContact CD2-ND2 3.3Å; F746-N750 WeakPolarHBondContact CD2-ND2 3.36Å; F746-N750 WeakPolarHBondContact CE2-ND2 3.45Å; F746-N750 WeakPolarHBondContact O-CB 3.19Å; F746-N750 PolarHBondContact O-N 2.93Å; F746-N750 PolarHBondContact O-ND2 3.19Å; Q747-N750 PolarHBondContact O-N 2.85Å; Q747-N750 VanDerWaalsContact O-N 3.09Å; N750-S752 PolarHBondContact O-N 3.34Å; N750-S752 VanDerWaalsContact O-N 3.14Å; N750-T753 PolarHBondContact O-N 2.9Å; N750-T753 VanDerWaalsContact O-N 3.08Å; N750-T753 PolarHBondContact O-OG1 3.48Å
751	D	77.6	Confident	81.1	Confident	72 Å²	72	55 Å²	55	39%	0.385	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-24.8	-176.7	-100	17	0	0	0	114.4	Q747 K755	Q747-D751 VanDerWaalsContact O-CB 3.23Å; Q747-D751 WeakPolarHBondContact O-CB 3.44Å; Q747-D751 VanDerWaalsContact O-CG 3.26Å; Q747-D751 PolarHBondContact O-N 2.71Å; D751-K755 WeakPolarHBondContact O-CE 3.32Å; D751-K755 PolarHBondContact O-NZ 2.77Å
752	S	82.2	Confident	81.1	Confident	51 Å²	51	49.9 Å²	49.9	36%	0.357	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.1	-26.4	177.2	81.2	0	0	0	0	112.5	N750 V754 K755 D756	N750-S752 PolarHBondContact O-N 3.34Å; N750-S752 VanDerWaalsContact O-N 3.14Å; S752-V754 PolarHBondContact O-N 3.34Å; S752-K755 CarbonylContact O-C 3.57Å; S752-K755 WeakPolarHBondContact O-CA 3.18Å; S752-K755 WeakPolarHBondContact O-CB 3.42Å; S752-K755 PolarHBondContact O-N 3.22Å; S752-D756 VanDerWaalsContact CB-OD2 3.25Å; S752-D756 WeakPolarHBondContact CB-OD2 3.47Å; S752-D756 WeakPolarHBondContact O-CB 3.29Å; S752-D756 PolarHBondContact O-N 3.48Å; S752-D756 PolarHBondContact OG-OD2 3.47Å
753	T	82.6	Confident	81	Confident	34 Å²	34	50.9 Å²	50.9	21%	0.209	26%	0.258	C	S	.	.	H	α-helix	trans	-58.1	-44	-167.2	-47.7	0	0	0	0	113.1	V686 F723 N750 K755 L757	V686-T753 HydrophobicContact CG1-CG2 4.09Å; V686-T753 HydrophobicContact CG2-CG2 4.12Å; F723-T753 HydrophobicContact CE2-CG2 4.08Å; F723-T753 HydrophobicContact CZ-CG2 3.99Å; N750-T753 PolarHBondContact O-N 2.9Å; N750-T753 VanDerWaalsContact O-N 3.08Å; N750-T753 PolarHBondContact O-OG1 3.48Å; T753-K755 VanDerWaalsContact C-N 3.34Å; T753-L757 WeakPolarHBondContact O-CB 3.41Å; T753-L757 PolarHBondContact O-N 3.39Å
754	V	82.7	Confident	80.7	Confident	9 Å²	9	52.3 Å²	52.3	6%	0.055	27%	0.267	C	S	.	.	H	α-helix	trans	-65.8	-38.6	176.8	177.2	0	0	0	0	111.3	I720 F723 L724 S752 L758 V779	I720-V754 HydrophobicContact CG1-CG1 4.43Å; I720-V754 HydrophobicContact CG2-CG1 3.98Å; F723-V754 HydrophobicContact CB-CG2 4.07Å; F723-V754 HydrophobicContact CD1-CG2 3.5Å; F723-V754 HydrophobicContact CE1-CG2 4.13Å; F723-V754 HydrophobicContact CG-CG2 3.92Å; L724-V754 HydrophobicContact CD2-CG2 4.36Å; S752-V754 PolarHBondContact O-N 3.34Å; V754-L758 HydrophobicContact CG1-CD1 4.16Å; V754-L758 WeakPolarHBondContact O-CG 3.48Å; V754-L758 PolarHBondContact O-N 3.37Å; V754-L758 VanDerWaalsContact O-N 3.14Å; V754-V779 HydrophobicContact CG1-CG2 4.4Å
755	K	81.5	Confident	80.2	Confident	69 Å²	69	53.4 Å²	53.4	30%	0.3	28%	0.282	S	S	.	.	H	α-helix	trans	-68.4	-46.4	179.2	-60.3	169	-172.2	150.6	0	110.1	D751 S752 T753 L757 L758 F759 V779 V782	D751-K755 WeakPolarHBondContact O-CE 3.32Å; D751-K755 PolarHBondContact O-NZ 2.77Å; S752-K755 CarbonylContact O-C 3.57Å; S752-K755 WeakPolarHBondContact O-CA 3.18Å; S752-K755 WeakPolarHBondContact O-CB 3.42Å; S752-K755 PolarHBondContact O-N 3.22Å; T753-K755 VanDerWaalsContact C-N 3.34Å; K755-L757 VanDerWaalsContact C-N 3.34Å; K755-L757 PolarHBondContact O-N 3.46Å; K755-L758 PolarHBondContact O-N 3.39Å; K755-F759 HydrophobicContact CB-CD2 4.27Å; K755-F759 HydrophobicContact CB-CE2 3.99Å; K755-F759 WeakPolarHBondContact O-CB 3.15Å; K755-F759 WeakPolarHBondContact O-CD2 3.41Å; K755-F759 WeakPolarHBondContact O-CG 3.43Å; K755-F759 PolarHBondContact O-N 3.46Å; K755-V779 HydrophobicContact CG-CG1 4.47Å; K755-V782 HydrophobicContact CB-CG2 4.25Å; K755-V782 HydrophobicContact CG-CG2 4.39Å
756	D	83.8	Confident	79.7	Confident	72 Å²	72	53.5 Å²	53.5	39%	0.385	28%	0.277	S	S	.	.	H	α-helix	trans	-61.5	-42.8	179.4	-61.5	-26.9	0	0	0	110.9	S752 L758 F759 Q760	S752-D756 VanDerWaalsContact CB-OD2 3.25Å; S752-D756 WeakPolarHBondContact CB-OD2 3.47Å; S752-D756 WeakPolarHBondContact O-CB 3.29Å; S752-D756 PolarHBondContact O-N 3.48Å; S752-D756 PolarHBondContact OG-OD2 3.47Å; D756-L758 PolarHBondContact O-N 2.83Å; D756-F759 PolarHBondContact O-N 2.75Å; D756-Q760 WeakPolarHBondContact O-CG 3.41Å; D756-Q760 PolarHBondContact O-N 2.95Å
757	L	83.1	Confident	79	Confident	4 Å²	4	57.9 Å²	57.9	2%	0.021	30%	0.296	C	S	.	.	H	α-helix	trans	-60.4	-44.5	174.8	-178.9	62.5	0	0	0	112.1	A689 L690 I693 L716 I720 T753 K755 L761	A689-L757 HydrophobicContact CB-CD1 4.09Å; L690-L757 HydrophobicContact CD2-CD1 3.55Å; L690-L757 HydrophobicContact CG-CD1 4.42Å; I693-L757 HydrophobicContact CD1-CD1 3.89Å; L716-L757 HydrophobicContact CD2-CD1 3.99Å; L716-L757 HydrophobicContact CD2-CD2 3.77Å; L716-L757 HydrophobicContact CD2-CG 4Å; I720-L757 HydrophobicContact CG1-CD2 4.25Å; T753-L757 WeakPolarHBondContact O-CB 3.41Å; T753-L757 PolarHBondContact O-N 3.39Å; K755-L757 VanDerWaalsContact C-N 3.34Å; K755-L757 PolarHBondContact O-N 3.46Å; L757-L761 PolarHBondContact O-N 2.77Å; L757-L761 VanDerWaalsContact O-N 3.13Å
758	L	83.4	Confident	78.9	Confident	2 Å²	2	62.1 Å²	62.1	1%	0.01	32%	0.32	C	S	.	.	H	α-helix	trans	-71.8	-34.2	178.7	-71.4	171.3	0	0	0	112.8	I720 V754 K755 D756 L761 L762 C770 L773 A774 V779 V782	I720-L758 HydrophobicContact CD1-CD2 3.97Å; I720-L758 HydrophobicContact CD1-CG 4.41Å; V754-L758 HydrophobicContact CG1-CD1 4.16Å; V754-L758 WeakPolarHBondContact O-CG 3.48Å; V754-L758 PolarHBondContact O-N 3.37Å; V754-L758 VanDerWaalsContact O-N 3.14Å; K755-L758 PolarHBondContact O-N 3.39Å; D756-L758 PolarHBondContact O-N 2.83Å; L758-L761 WeakPolarHBondContact O-CB 3.31Å; L758-L761 PolarHBondContact O-N 3.41Å; L758-L762 PolarHBondContact O-N 3.1Å; L758-C770 PolarHBondContact O-SG 2.99Å; L758-L773 HydrophobicContact CD2-CB 4.1Å; L758-L773 HydrophobicContact CD2-CD1 4.49Å; L758-A774 HydrophobicContact CD1-CB 4.37Å; L758-V779 HydrophobicContact CD1-CB 4.08Å; L758-V779 HydrophobicContact CD1-CG1 3.98Å; L758-V779 HydrophobicContact CD1-CG2 4.02Å; L758-V782 HydrophobicContact CB-CG1 3.93Å; L758-V782 HydrophobicContact CB-CG2 4.04Å; L758-V782 HydrophobicContact CD1-CB 4.45Å; L758-V782 HydrophobicContact CD1-CG1 4.39Å; L758-V782 HydrophobicContact CD1-CG2 4.08Å
759	F	82.5	Confident	78.8	Confident	60 Å²	60	56.4 Å²	56.4	26%	0.263	29%	0.29	S	S	.	.	H	α-helix	trans	-66.8	-42.9	174.1	-73.5	-47.8	0	0	0	111.7	K755 D756 L761 L762 D763 V782 K785	K755-F759 HydrophobicContact CB-CD2 4.27Å; K755-F759 HydrophobicContact CB-CE2 3.99Å; K755-F759 WeakPolarHBondContact O-CB 3.15Å; K755-F759 WeakPolarHBondContact O-CD2 3.41Å; K755-F759 WeakPolarHBondContact O-CG 3.43Å; K755-F759 PolarHBondContact O-N 3.46Å; D756-F759 PolarHBondContact O-N 2.75Å; F759-L761 PolarHBondContact O-N 3.36Å; F759-L762 WeakPolarHBondContact O-CB 3.3Å; F759-L762 PolarHBondContact O-N 3.16Å; F759-D763 PolarHBondContact O-N 3.08Å; F759-V782 HydrophobicContact CE1-CB 4.34Å; F759-V782 HydrophobicContact CE1-CG1 4.3Å; F759-V782 HydrophobicContact CE1-CG2 4.07Å; F759-V782 HydrophobicContact CE2-CG2 4.24Å; F759-V782 HydrophobicContact CZ-CG2 3.9Å; F759-K785 HydrophobicContact CE1-CB 3.74Å; F759-K785 HydrophobicContact CE1-CG 3.87Å; F759-K785 HydrophobicContact CZ-CB 4.26Å
760	Q	80.8	Confident	78.9	Confident	74 Å²	74	50 Å²	50	35%	0.346	26%	0.26	S	S	.	.	H	α-helix	trans	-62.9	-33.9	174.2	-70.6	-174	25.1	0	0	112.1	D756 L762 D763	D756-Q760 WeakPolarHBondContact O-CG 3.41Å; D756-Q760 PolarHBondContact O-N 2.95Å; Q760-L762 VanDerWaalsContact C-N 3.34Å; Q760-D763 PolarHBondContact O-N 3.49Å
761	L	80.3	Confident	78.9	Confident	2 Å²	2	50.1 Å²	50.1	1%	0.01	26%	0.261	C	S	.	.	H	α-helix	trans	-66.3	-36.2	172.7	-173.9	67.4	0	0	0	112.4	I693 M696 L716 L757 L758 F759 V764 M766 L769 C770 L773	I693-L761 HydrophobicContact CD1-CB 4.41Å; I693-L761 HydrophobicContact CD1-CD1 4.46Å; I693-L761 HydrophobicContact CG1-CD1 4.31Å; M696-L761 HydrophobicContact CE-CD1 4.1Å; L716-L761 HydrophobicContact CD1-CD1 4.42Å; L716-L761 HydrophobicContact CD1-CD2 4.13Å; L757-L761 PolarHBondContact O-N 2.77Å; L757-L761 VanDerWaalsContact O-N 3.13Å; L758-L761 WeakPolarHBondContact O-CB 3.31Å; L758-L761 PolarHBondContact O-N 3.41Å; F759-L761 PolarHBondContact O-N 3.36Å; L761-V764 PolarHBondContact O-N 2.75Å; L761-M766 HydrophobicContact CD1-CB 4.25Å; L761-M766 HydrophobicContact CG-CB 4.47Å; L761-L769 HydrophobicContact CD1-CD2 4.49Å; L761-L769 HydrophobicContact CD2-CB 4.49Å; L761-L769 HydrophobicContact CD2-CD2 4.28Å; L761-L769 HydrophobicContact CD2-CG 4.17Å; L761-C770 HydrophobicContact CD2-CB 3.89Å; L761-C770 HydrophobicContact CG-CB 4.24Å; L761-L773 HydrophobicContact CD2-CD1 4.34Å
762	L	76.4	Confident	79.1	Confident	8 Å²	8	52.3 Å²	52.3	4%	0.042	27%	0.269	C	S	.	.	H	α-helix	trans	-67.4	-37.1	176.9	-174.8	62.7	0	0	0	112	L758 F759 Q760 V764 D765 K767 I786	L758-L762 PolarHBondContact O-N 3.1Å; F759-L762 WeakPolarHBondContact O-CB 3.3Å; F759-L762 PolarHBondContact O-N 3.16Å; Q760-L762 VanDerWaalsContact C-N 3.34Å; L762-V764 PolarHBondContact O-N 3.26Å; L762-D765 PolarHBondContact O-N 3.16Å; L762-K767 HydrophobicContact CD1-CG 3.89Å; L762-I786 HydrophobicContact CD1-CD1 4.42Å; L762-I786 HydrophobicContact CD1-CG1 3.91Å; L762-I786 HydrophobicContact CD2-CG1 3.6Å; L762-I786 HydrophobicContact CG-CG1 4.38Å
763	D	75.8	Confident	79.1	Confident	122 Å²	122	50.2 Å²	50.2	65%	0.652	25%	0.254	S	S	*	.	H	α-helix	trans	-65.2	-21.6	177.3	-69.8	-23.3	0	0	0	112.9	F759 Q760 D765	F759-D763 PolarHBondContact O-N 3.08Å; Q760-D763 PolarHBondContact O-N 3.49Å; D763-D765 VanDerWaalsContact C-N 3.29Å; D763-D765 PolarHBondContact O-N 2.93Å
764	V	74.4	Confident	79.1	Confident	33 Å²	33	48.6 Å²	48.6	20%	0.2	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.8	22.2	178.6	-176.6	0	0	0	0	112.5	I693 M696 A697 L761 L762 M766	I693-V764 HydrophobicContact CG2-CB 4.34Å; I693-V764 HydrophobicContact CG2-CG2 3.53Å; M696-V764 HydrophobicContact CB-CG1 3.95Å; A697-V764 HydrophobicContact CB-CG1 4.16Å; A697-V764 HydrophobicContact CB-CG2 4.06Å; L761-V764 PolarHBondContact O-N 2.75Å; L762-V764 PolarHBondContact O-N 3.26Å; V764-M766 PolarHBondContact O-N 3.32Å; V764-M766 VanDerWaalsContact O-N 3.15Å
765	D	68.3	Low	79.1	Confident	139 Å²	139	51.8 Å²	51.8	74%	0.743	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.1	11.8	177.1	-76	-37.6	0	0	0	116	L762 D763 K767	L762-D765 PolarHBondContact O-N 3.16Å; D763-D765 VanDerWaalsContact C-N 3.29Å; D763-D765 PolarHBondContact O-N 2.93Å; D765-K767 PolarHBondContact O-N 3.23Å
766	M	69.8	Low	79.1	Confident	52 Å²	52	54.8 Å²	54.8	26%	0.256	27%	0.271	S	S	.	.			trans	-92.7	62.1	179.6	-71.8	-63.1	-64.2	0	0	112.7	L761 V764 D768 L769 C770	L761-M766 HydrophobicContact CD1-CB 4.25Å; L761-M766 HydrophobicContact CG-CB 4.47Å; V764-M766 PolarHBondContact O-N 3.32Å; V764-M766 VanDerWaalsContact O-N 3.15Å; M766-D768 VanDerWaalsContact C-N 3.33Å; M766-D768 PolarHBondContact O-N 3.41Å; M766-L769 HydrophobicContact CE-CB 4.32Å; M766-C770 WeakPolarHBondContact O-CB 3.37Å; M766-C770 PolarHBondContact O-N 2.69Å
767	K	70.6	Confident	78.9	Confident	94 Å²	94	53.1 Å²	53.1	41%	0.409	26%	0.26	S	S	.	.	H	α-helix	trans	-57.6	-43	-178.5	-69	173.7	179.9	176.4	0	112.6	L762 D765 C770 V771 T790	L762-K767 HydrophobicContact CD1-CG 3.89Å; D765-K767 PolarHBondContact O-N 3.23Å; K767-C770 PolarHBondContact O-N 2.8Å; K767-V771 WeakPolarHBondContact O-CB 3.38Å; K767-V771 WeakPolarHBondContact O-CG2 3.22Å; K767-V771 PolarHBondContact O-N 3.13Å; K767-T790 HydrophobicContact CD-CG2 3.72Å; K767-T790 HydrophobicContact CG-CG2 4.45Å
768	D	78	Confident	78.8	Confident	125 Å²	125	56 Å²	56	67%	0.668	28%	0.275	S	S	*	.	H	α-helix	trans	-65.5	-45.4	-173.9	-62.3	-32.7	0	0	0	112.7	M766 V771 Q772	M766-D768 VanDerWaalsContact C-N 3.33Å; M766-D768 PolarHBondContact O-N 3.41Å; D768-V771 PolarHBondContact O-N 2.95Å; D768-Q772 WeakPolarHBondContact O-CB 3.46Å; D768-Q772 VanDerWaalsContact O-CG 3.22Å; D768-Q772 WeakPolarHBondContact O-CG 3.5Å; D768-Q772 PolarHBondContact O-N 2.87Å
769	L	78.1	Confident	78.6	Confident	12 Å²	12	56.5 Å²	56.5	6%	0.063	28%	0.279	C	S	.	.	H	α-helix	trans	-68	-40.7	178.5	-178	62	0	0	0	111.2	L716 L761 M766 Q772 L773	L716-L769 HydrophobicContact CD1-CD2 4.3Å; L761-L769 HydrophobicContact CD1-CD2 4.49Å; L761-L769 HydrophobicContact CD2-CB 4.49Å; L761-L769 HydrophobicContact CD2-CD2 4.28Å; L761-L769 HydrophobicContact CD2-CG 4.17Å; M766-L769 HydrophobicContact CE-CB 4.32Å; L769-Q772 PolarHBondContact O-N 2.83Å; L769-L773 HydrophobicContact CD1-CD1 4.2Å; L769-L773 HydrophobicContact CD1-CG 4.28Å; L769-L773 HydrophobicContact CG-CD1 4.12Å; L769-L773 WeakPolarHBondContact O-CG 3.44Å; L769-L773 PolarHBondContact O-N 2.9Å
770	C	82.3	Confident	78.6	Confident	0 Å²	0	54.7 Å²	54.7	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-62.4	-45.2	176.5	-171.3	0	0	0	0	111.3	L758 L761 M766 K767 L773 A774 I786	L758-C770 PolarHBondContact O-SG 2.99Å; L761-C770 HydrophobicContact CD2-CB 3.89Å; L761-C770 HydrophobicContact CG-CB 4.24Å; M766-C770 WeakPolarHBondContact O-CB 3.37Å; M766-C770 PolarHBondContact O-N 2.69Å; K767-C770 PolarHBondContact O-N 2.8Å; C770-L773 PolarHBondContact O-N 3.42Å; C770-A774 WeakPolarHBondContact O-CB 3.35Å; C770-A774 PolarHBondContact O-N 3.29Å; C770-I786 HydrophobicContact CB-CD1 4.48Å
771	V	81.6	Confident	78.4	Confident	18 Å²	18	53.7 Å²	53.7	11%	0.109	27%	0.27	C	S	.	.	H	α-helix	trans	-62	-46.2	175.1	170.7	0	0	0	0	111.1	K767 D768 L773 A774 E775 I786 L795	K767-V771 WeakPolarHBondContact O-CB 3.38Å; K767-V771 WeakPolarHBondContact O-CG2 3.22Å; K767-V771 PolarHBondContact O-N 3.13Å; D768-V771 PolarHBondContact O-N 2.95Å; V771-L773 PolarHBondContact O-N 3.03Å; V771-A774 PolarHBondContact O-N 3.48Å; V771-E775 WeakPolarHBondContact O-CB 3.43Å; V771-E775 PolarHBondContact O-N 2.91Å; V771-I786 HydrophobicContact CG2-CD1 4.04Å; V771-I786 HydrophobicContact CG2-CG2 4Å; V771-L795 HydrophobicContact CG1-CD1 3.7Å; V771-L795 HydrophobicContact CG1-CD2 4.01Å; V771-L795 HydrophobicContact CG2-CD2 3.85Å
772	Q	82.2	Confident	78.4	Confident	119 Å²	119	53.6 Å²	53.6	56%	0.556	27%	0.27	S	S	*	.	H	α-helix	trans	-59.4	-44.6	178.6	-75.7	173.8	28.9	0	0	112.5	D768 L769 K776	D768-Q772 WeakPolarHBondContact O-CB 3.46Å; D768-Q772 VanDerWaalsContact O-CG 3.22Å; D768-Q772 WeakPolarHBondContact O-CG 3.5Å; D768-Q772 PolarHBondContact O-N 2.87Å; L769-Q772 PolarHBondContact O-N 2.83Å; Q772-K776 WeakPolarHBondContact O-CB 3.4Å; Q772-K776 PolarHBondContact O-N 2.67Å
773	L	81.8	Confident	78.5	Confident	6 Å²	6	53.2 Å²	53.2	3%	0.031	27%	0.268	C	S	.	.	H	α-helix	trans	-70.2	-44.2	178.9	-69.9	173.3	0	0	0	111.5	L716 H717 I720 L758 L761 L769 C770 V771 K776 Y777	L716-L773 HydrophobicContact CB-CD1 3.78Å; L716-L773 HydrophobicContact CD1-CD1 4.01Å; H717-L773 HydrophobicContact CB-CD2 4.15Å; I720-L773 HydrophobicContact CD1-CB 4.42Å; I720-L773 HydrophobicContact CD1-CD1 4.17Å; L758-L773 HydrophobicContact CD2-CB 4.1Å; L758-L773 HydrophobicContact CD2-CD1 4.49Å; L761-L773 HydrophobicContact CD2-CD1 4.34Å; L769-L773 HydrophobicContact CD1-CD1 4.2Å; L769-L773 HydrophobicContact CD1-CG 4.28Å; L769-L773 HydrophobicContact CG-CD1 4.12Å; L769-L773 WeakPolarHBondContact O-CG 3.44Å; L769-L773 PolarHBondContact O-N 2.9Å; C770-L773 PolarHBondContact O-N 3.42Å; V771-L773 PolarHBondContact O-N 3.03Å; L773-K776 PolarHBondContact O-N 3.36Å; L773-Y777 HydrophobicContact CD2-CE2 4.33Å; L773-Y777 WeakPolarHBondContact O-CB 3.47Å; L773-Y777 VanDerWaalsContact O-CD2 3.24Å; L773-Y777 WeakPolarHBondContact O-CD2 3.36Å; L773-Y777 PolarHBondContact O-N 2.8Å; L773-Y777 VanDerWaalsContact O-N 3.1Å
774	A	83.1	Confident	78.4	Confident	0 Å²	0	47.4 Å²	47.4	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-67.7	-36.8	179.9	0	0	0	0	0	112.3	L758 C770 V771 D778 V779 V782 L783	L758-A774 HydrophobicContact CD1-CB 4.37Å; C770-A774 WeakPolarHBondContact O-CB 3.35Å; C770-A774 PolarHBondContact O-N 3.29Å; V771-A774 PolarHBondContact O-N 3.48Å; A774-D778 WeakPolarHBondContact O-CA 3.26Å; A774-D778 PolarHBondContact O-N 3.16Å; A774-V779 HydrophobicContact CB-CB 4.3Å; A774-V779 PolarHBondContact O-N 3.46Å; A774-V782 HydrophobicContact CB-CG1 4.35Å; A774-L783 HydrophobicContact CB-CD2 3.64Å; A774-L783 HydrophobicContact CB-CG 3.8Å
775	E	82.2	Confident	78.5	Confident	76 Å²	76	48.6 Å²	48.6	36%	0.355	24%	0.239	S	C	.	.	H	α-helix	trans	-68.8	-45.1	173.9	-172.8	174	-175.2	0	0	110.9	V771 Y777 D778 R798	V771-E775 WeakPolarHBondContact O-CB 3.43Å; V771-E775 PolarHBondContact O-N 2.91Å; E775-Y777 PolarHBondContact O-N 3.45Å; E775-D778 PolarHBondContact O-N 2.8Å; E775-R798 IonicContact OE1-NH1 2.91Å; E775-R798 PolarHBondContact OE1-NH1 3.35Å; E775-R798 IonicContact OE2-NH1 2.66Å; E775-R798 PolarHBondContact OE2-NH1 3.42Å
776	K	82.1	Confident	78.8	Confident	133 Å²	133	42.1 Å²	42.1	58%	0.578	20%	0.204	S	C	*	.	H	α-helix	trans	-62.3	-30.8	179.4	-173.3	172.4	-169.3	179	0	113.4	H717 Q772 L773	H717-K776 WeakPolarHBondContact CE1-CE 3.27Å; H717-K776 PolarHBondContact CE1-NZ 3.39Å; H717-K776 PolarHBondContact NE2-NZ 2.83Å; Q772-K776 WeakPolarHBondContact O-CB 3.4Å; Q772-K776 PolarHBondContact O-N 2.67Å; L773-K776 PolarHBondContact O-N 3.36Å
777	Y	80.1	Confident	78.9	Confident	37 Å²	37	39.9 Å²	39.9	15%	0.145	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109	8	-176.7	-70	-58.6	0	0	0	114.5	H717 I720 K721 L724 L773 E775 V779	H717-Y777 AromaticContact CE1-CE2 4Å; H717-Y777 AromaticContact CE1-CZ 3.45Å; H717-Y777 VanDerWaalsContact CE1-CZ 3.45Å; H717-Y777 PolarHBondContact CE1-OH 3.28Å; H717-Y777 AromaticContact ND1-CE2 3.53Å; H717-Y777 AromaticContact ND1-CZ 3.43Å; H717-Y777 PolarHBondContact ND1-OH 3.15Å; H717-Y777 PolarHBondContact O-OH 3.19Å; I720-Y777 HydrophobicContact CB-CD2 4.13Å; I720-Y777 HydrophobicContact CB-CE2 3.91Å; I720-Y777 HydrophobicContact CG2-CD1 4.47Å; I720-Y777 HydrophobicContact CG2-CD2 3.38Å; I720-Y777 HydrophobicContact CG2-CE2 3.64Å; I720-Y777 HydrophobicContact CG2-CG 3.82Å; K721-Y777 HydrophobicContact CB-CE1 4.12Å; K721-Y777 WeakPolarHBondContact CB-OH 3.41Å; K721-Y777 HydrophobicContact CG-CE1 4.2Å; L724-Y777 HydrophobicContact CD1-CD1 3.86Å; L724-Y777 HydrophobicContact CD1-CG 3.83Å; L773-Y777 HydrophobicContact CD2-CE2 4.33Å; L773-Y777 WeakPolarHBondContact O-CB 3.47Å; L773-Y777 VanDerWaalsContact O-CD2 3.24Å; L773-Y777 WeakPolarHBondContact O-CD2 3.36Å; L773-Y777 PolarHBondContact O-N 2.8Å; L773-Y777 VanDerWaalsContact O-N 3.1Å; E775-Y777 PolarHBondContact O-N 3.45Å; Y777-V779 VanDerWaalsContact C-N 3.29Å; Y777-V779 PolarHBondContact O-N 3.33Å
778	D	79.8	Confident	79	Confident	64 Å²	64	37.1 Å²	37.1	34%	0.342	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.9	39.5	179	-57.2	-56.7	0	0	0	113.7	A774 E775 F780 K804	A774-D778 WeakPolarHBondContact O-CA 3.26Å; A774-D778 PolarHBondContact O-N 3.16Å; E775-D778 PolarHBondContact O-N 2.8Å; D778-F780 HydrophobicContact CB-CE1 4.33Å; D778-F780 HydrophobicContact CB-CE2 3.88Å; D778-F780 HydrophobicContact CB-CZ 3.7Å; D778-F780 WeakPolarHBondContact O-CD2 3.29Å; D778-F780 PolarHBondContact O-N 3.49Å; D778-K804 HydrophobicContact CB-CD 4.49Å; D778-K804 IonicContact OD2-NZ 3.63Å; D778-K804 PolarHBondContact OD2-NZ 2.79Å
779	V	81.3	Confident	78.8	Confident	13 Å²	13	36.4 Å²	36.4	8%	0.079	18%	0.182	C	C	.	.			trans	-82.3	71.8	178.8	-168	0	0	0	0	110	V754 K755 L758 A774 Y777 P781 V782 L783	V754-V779 HydrophobicContact CG1-CG2 4.4Å; K755-V779 HydrophobicContact CG-CG1 4.47Å; L758-V779 HydrophobicContact CD1-CB 4.08Å; L758-V779 HydrophobicContact CD1-CG1 3.98Å; L758-V779 HydrophobicContact CD1-CG2 4.02Å; A774-V779 HydrophobicContact CB-CB 4.3Å; A774-V779 PolarHBondContact O-N 3.46Å; Y777-V779 VanDerWaalsContact C-N 3.29Å; Y777-V779 PolarHBondContact O-N 3.33Å; V779-P781 VanDerWaalsContact C-CD 3.49Å; V779-V782 HydrophobicContact CG1-CB 4.06Å; V779-V782 HydrophobicContact CG1-CG2 3.68Å; V779-V782 PolarHBondContact O-N 3.28Å; V779-L783 PolarHBondContact O-N 3.12Å
780	F	80.4	Confident	78.3	Confident	22 Å²	22	37.2 Å²	37.2	10%	0.096	19%	0.187	C	C	.	.	H	α-helix	trans	-57.5	-36.7	-173.2	-60.5	-55.7	0	0	0	116.3	D778 V782 L783 A784 K804 D807 F808 S811	D778-F780 HydrophobicContact CB-CE1 4.33Å; D778-F780 HydrophobicContact CB-CE2 3.88Å; D778-F780 HydrophobicContact CB-CZ 3.7Å; D778-F780 WeakPolarHBondContact O-CD2 3.29Å; D778-F780 PolarHBondContact O-N 3.49Å; F780-V782 VanDerWaalsContact C-N 3.3Å; F780-V782 PolarHBondContact O-N 2.96Å; F780-L783 HydrophobicContact CD1-CD1 4.13Å; F780-L783 PolarHBondContact O-N 2.98Å; F780-A784 WeakPolarHBondContact O-CB 3.03Å; F780-A784 PolarHBondContact O-N 3.48Å; F780-K804 HydrophobicContact CE1-CB 4.5Å; F780-K804 HydrophobicContact CE2-CB 4.23Å; F780-K804 HydrophobicContact CE2-CD 4.39Å; F780-K804 HydrophobicContact CZ-CB 3.6Å; F780-K804 HydrophobicContact CZ-CD 4.02Å; F780-K804 HydrophobicContact CZ-CG 4.49Å; F780-D807 HydrophobicContact CD2-CB 3.57Å; F780-D807 HydrophobicContact CE2-CB 3.4Å; F780-D807 HydrophobicContact CZ-CB 4.27Å; F780-F808 HydrophobicContact CB-CD2 4.27Å; F780-F808 HydrophobicContact CD1-CB 3.65Å; F780-F808 AromaticContact CD1-CD2 3.89Å; F780-F808 HydrophobicContact CD1-CD2 3.89Å; F780-F808 HydrophobicContact CD1-CG 4.22Å; F780-F808 HydrophobicContact CE1-CB 4.04Å; F780-F808 HydrophobicContact CG-CB 4.14Å; F780-F808 HydrophobicContact CG-CD2 4.46Å; F780-S811 VanDerWaalsContact CB-OG 3.23Å; F780-S811 WeakPolarHBondContact CB-OG 3.2Å
781	P	78.5	Confident	77.6	Confident	52 Å²	52	40.4 Å²	40.4	34%	0.338	21%	0.209	S	C	.	.	H	α-helix	trans	-61.8	-36.9	177	-26.3	36.3	0	0	0	113.4	V779 K785	V779-P781 VanDerWaalsContact C-CD 3.49Å; P781-K785 PolarHBondContact O-N 3.41Å; P781-K785 VanDerWaalsContact O-N 3.16Å
782	V	78.4	Confident	77.1	Confident	0 Å²	0	42.8 Å²	42.8	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-71.7	-46.3	177	174.9	0	0	0	0	109.6	K755 L758 F759 A774 V779 F780 A784 K785 I786	K755-V782 HydrophobicContact CB-CG2 4.25Å; K755-V782 HydrophobicContact CG-CG2 4.39Å; L758-V782 HydrophobicContact CB-CG1 3.93Å; L758-V782 HydrophobicContact CB-CG2 4.04Å; L758-V782 HydrophobicContact CD1-CB 4.45Å; L758-V782 HydrophobicContact CD1-CG1 4.39Å; L758-V782 HydrophobicContact CD1-CG2 4.08Å; F759-V782 HydrophobicContact CE1-CB 4.34Å; F759-V782 HydrophobicContact CE1-CG1 4.3Å; F759-V782 HydrophobicContact CE1-CG2 4.07Å; F759-V782 HydrophobicContact CE2-CG2 4.24Å; F759-V782 HydrophobicContact CZ-CG2 3.9Å; A774-V782 HydrophobicContact CB-CG1 4.35Å; V779-V782 HydrophobicContact CG1-CB 4.06Å; V779-V782 HydrophobicContact CG1-CG2 3.68Å; V779-V782 PolarHBondContact O-N 3.28Å; F780-V782 VanDerWaalsContact C-N 3.3Å; F780-V782 PolarHBondContact O-N 2.96Å; V782-A784 VanDerWaalsContact C-N 3.3Å; V782-A784 PolarHBondContact O-N 3.45Å; V782-K785 PolarHBondContact O-N 3.05Å; V782-K785 VanDerWaalsContact O-N 3.13Å; V782-I786 HydrophobicContact CG1-CD1 3.84Å; V782-I786 HydrophobicContact CG1-CG1 4.34Å; V782-I786 VanDerWaalsContact O-CG1 3.32Å; V782-I786 WeakPolarHBondContact O-CG1 3.41Å; V782-I786 PolarHBondContact O-N 3.26Å
783	L	80.3	Confident	76.4	Confident	1 Å²	1	41 Å²	41	1%	0.005	22%	0.215	C	C	.	.	H	α-helix	trans	-58.2	-41.7	176.2	-68.8	171.9	0	0	0	112.2	A774 V779 F780 I786 C787 L799 F808	A774-L783 HydrophobicContact CB-CD2 3.64Å; A774-L783 HydrophobicContact CB-CG 3.8Å; V779-L783 PolarHBondContact O-N 3.12Å; F780-L783 HydrophobicContact CD1-CD1 4.13Å; F780-L783 PolarHBondContact O-N 2.98Å; L783-I786 PolarHBondContact O-N 3.27Å; L783-C787 WeakPolarHBondContact O-CB 3.37Å; L783-C787 PolarHBondContact O-N 3.19Å; L783-C787 PolarHBondContact O-SG 3.5Å; L783-L799 HydrophobicContact CB-CD1 3.98Å; L783-L799 HydrophobicContact CD1-CD1 4.09Å; L783-L799 HydrophobicContact CD1-CD2 3.9Å; L783-L799 HydrophobicContact CD2-CD1 4.41Å; L783-L799 HydrophobicContact CG-CD1 4.39Å; L783-F808 HydrophobicContact CB-CE2 4.12Å
784	A	73.8	Confident	76.1	Confident	0 Å²	0	48 Å²	48	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-60.9	-45.4	175.9	0	0	0	0	0	110.9	F780 V782 C787 A788 F808 V812 L815 L825	F780-A784 WeakPolarHBondContact O-CB 3.03Å; F780-A784 PolarHBondContact O-N 3.48Å; V782-A784 VanDerWaalsContact C-N 3.3Å; V782-A784 PolarHBondContact O-N 3.45Å; A784-C787 PolarHBondContact O-N 2.75Å; A784-A788 PolarHBondContact O-N 3.06Å; A784-F808 HydrophobicContact CB-CE2 4.24Å; A784-V812 HydrophobicContact CB-CG2 3.88Å; A784-L815 HydrophobicContact CB-CD2 3.99Å; A784-L825 WeakPolarHBondContact O-CD1 3.31Å
785	K	76.3	Confident	75.6	Confident	58 Å²	58	48 Å²	48	25%	0.252	25%	0.248	S	C	.	.	H	α-helix	trans	-67.6	-38.2	177.9	-168.1	68.5	-173.6	175.8	0	113.1	F759 P781 V782 A788 Q789 L815 E819	F759-K785 HydrophobicContact CE1-CB 3.74Å; F759-K785 HydrophobicContact CE1-CG 3.87Å; F759-K785 HydrophobicContact CZ-CB 4.26Å; P781-K785 PolarHBondContact O-N 3.41Å; P781-K785 VanDerWaalsContact O-N 3.16Å; V782-K785 PolarHBondContact O-N 3.05Å; V782-K785 VanDerWaalsContact O-N 3.13Å; K785-A788 VanDerWaalsContact O-CB 3.26Å; K785-A788 WeakPolarHBondContact O-CB 3.47Å; K785-A788 PolarHBondContact O-N 3.37Å; K785-A788 VanDerWaalsContact O-N 3.17Å; K785-Q789 PolarHBondContact O-N 3.37Å; K785-L815 HydrophobicContact CB-CD2 4.45Å; K785-L815 HydrophobicContact CD-CD1 3.93Å; K785-L815 HydrophobicContact CD-CD2 4.24Å; K785-E819 IonicContact NZ-OE1 3.71Å; K785-E819 PolarHBondContact NZ-OE1 2.89Å
786	I	74.2	Confident	75	Confident	2 Å²	2	44.6 Å²	44.6	1%	0.01	23%	0.231	C	C	.	.	H	α-helix	trans	-58.7	-51.6	173.2	-68.9	168.5	0	0	0	109.2	L762 C770 V771 V782 L783 A788 Q789 T790 L795	L762-I786 HydrophobicContact CD1-CD1 4.42Å; L762-I786 HydrophobicContact CD1-CG1 3.91Å; L762-I786 HydrophobicContact CD2-CG1 3.6Å; L762-I786 HydrophobicContact CG-CG1 4.38Å; C770-I786 HydrophobicContact CB-CD1 4.48Å; V771-I786 HydrophobicContact CG2-CD1 4.04Å; V771-I786 HydrophobicContact CG2-CG2 4Å; V782-I786 HydrophobicContact CG1-CD1 3.84Å; V782-I786 HydrophobicContact CG1-CG1 4.34Å; V782-I786 VanDerWaalsContact O-CG1 3.32Å; V782-I786 WeakPolarHBondContact O-CG1 3.41Å; V782-I786 PolarHBondContact O-N 3.26Å; L783-I786 PolarHBondContact O-N 3.27Å; I786-A788 PolarHBondContact O-N 2.98Å; I786-Q789 PolarHBondContact O-N 3.49Å; I786-T790 HydrophobicContact CG2-CG2 3.91Å; I786-T790 WeakPolarHBondContact O-CB 3.48Å; I786-T790 WeakPolarHBondContact O-CG2 3.37Å; I786-T790 PolarHBondContact O-N 3.24Å; I786-T790 PolarHBondContact O-OG1 2.68Å; I786-L795 HydrophobicContact CG2-CD2 4.27Å
787	C	72.7	Confident	74.6	Confident	6 Å²	6	41.1 Å²	41.1	4%	0.041	22%	0.219	C	C	.	.	H	α-helix	trans	-57.9	-34.2	177.3	-66.5	0	0	0	0	112.2	L783 A784 S791 F796 L825	L783-C787 WeakPolarHBondContact O-CB 3.37Å; L783-C787 PolarHBondContact O-N 3.19Å; L783-C787 PolarHBondContact O-SG 3.5Å; A784-C787 PolarHBondContact O-N 2.75Å; C787-S791 PolarHBondContact O-N 2.89Å; C787-F796 HydrophobicContact CB-CD2 4.26Å; C787-L825 HydrophobicContact CB-CD2 3.76Å
788	A	71.8	Confident	74.4	Confident	36 Å²	36	45.5 Å²	45.5	30%	0.298	24%	0.236	S	C	.	.	H	α-helix	trans	-64.4	-44.7	175.1	0	0	0	0	0	112.3	A784 K785 I786 L815 L825	A784-A788 PolarHBondContact O-N 3.06Å; K785-A788 VanDerWaalsContact O-CB 3.26Å; K785-A788 WeakPolarHBondContact O-CB 3.47Å; K785-A788 PolarHBondContact O-N 3.37Å; K785-A788 VanDerWaalsContact O-N 3.17Å; I786-A788 PolarHBondContact O-N 2.98Å; A788-L815 HydrophobicContact CB-CD2 4.18Å; A788-L825 HydrophobicContact CB-CD1 3.36Å; A788-L825 HydrophobicContact CB-CG 4.33Å
789	Q	72.8	Confident	74	Confident	110 Å²	110	43.3 Å²	43.3	51%	0.514	22%	0.224	S	C	.	.	H	α-helix	trans	-82.6	-37.1	-174.9	-72.4	180	-23.7	0	0	113.5	K785 I786	K785-Q789 PolarHBondContact O-N 3.37Å; I786-Q789 PolarHBondContact O-N 3.49Å
790	T	68.2	Low	73.5	Confident	28 Å²	28	43.8 Å²	43.8	17%	0.172	23%	0.226	C	C	.	.	H	α-helix	trans	-90.1	-17.6	-174	63.5	0	0	0	0	113.3	K767 I786 D792	K767-T790 HydrophobicContact CD-CG2 3.72Å; K767-T790 HydrophobicContact CG-CG2 4.45Å; I786-T790 HydrophobicContact CG2-CG2 3.91Å; I786-T790 WeakPolarHBondContact O-CB 3.48Å; I786-T790 WeakPolarHBondContact O-CG2 3.37Å; I786-T790 PolarHBondContact O-N 3.24Å; I786-T790 PolarHBondContact O-OG1 2.68Å; T790-D792 PolarHBondContact O-N 3.34Å; T790-D792 VanDerWaalsContact O-N 3.17Å; T790-D792 WeakPolarHBondContact OG1-CB 3.49Å; T790-D792 PolarHBondContact OG1-N 3.32Å
791	S	67.6	Low	73.1	Confident	68 Å²	68	50.3 Å²	50.3	48%	0.476	26%	0.256	S	S	.	.			trans	52.2	29	-171.5	57.2	0	0	0	0	113.6	C787 I793	C787-S791 PolarHBondContact O-N 2.89Å; S791-I793 PolarHBondContact O-N 3.45Å; S791-I793 VanDerWaalsContact O-N 3.16Å
792	D	70.6	Confident	72.7	Confident	67 Å²	67	49.4 Å²	49.4	36%	0.358	26%	0.256	S	S	.	.			trans	-76	101.8	-180	-171.7	-15.7	0	0	0	111	T790 E794 L795 F796	T790-D792 PolarHBondContact O-N 3.34Å; T790-D792 VanDerWaalsContact O-N 3.17Å; T790-D792 WeakPolarHBondContact OG1-CB 3.49Å; T790-D792 PolarHBondContact OG1-N 3.32Å; D792-E794 VanDerWaalsContact C-N 3.33Å; D792-E794 PolarHBondContact OD1-N 2.91Å; D792-L795 HydrophobicContact CB-CB 4.21Å; D792-L795 PolarHBondContact OD1-N 3.29Å; D792-L795 VanDerWaalsContact OD1-N 3.15Å; D792-F796 PolarHBondContact O-N 3.09Å
793	I	68.7	Low	72.4	Confident	81 Å²	81	57.9 Å²	57.9	42%	0.415	30%	0.302	S	S	.	.	H	α-helix	trans	-70.5	-30.4	-178.9	-60.6	169.9	0	0	0	111.2	S791 N797 Y828	S791-I793 PolarHBondContact O-N 3.45Å; S791-I793 VanDerWaalsContact O-N 3.16Å; I793-N797 WeakPolarHBondContact O-CB 3.36Å; I793-N797 VanDerWaalsContact O-CG 3.24Å; I793-N797 PolarHBondContact O-N 3.02Å; I793-N797 PolarHBondContact O-ND2 2.79Å; I793-N797 VanDerWaalsContact O-ND2 3.15Å; I793-Y828 WeakPolarHBondContact CG2-OH 3.38Å
794	E	74.4	Confident	71.9	Confident	153 Å²	153	62.5 Å²	62.5	72%	0.715	32%	0.322	S	S	*	.	H	α-helix	trans	-73.9	-44.5	-176.4	-64.6	-173.1	175.3	0	0	111.3	D792 F796 N797 R798	D792-E794 VanDerWaalsContact C-N 3.33Å; D792-E794 PolarHBondContact OD1-N 2.91Å; E794-F796 VanDerWaalsContact C-N 3.32Å; E794-F796 PolarHBondContact O-N 2.92Å; E794-N797 PolarHBondContact O-N 3.19Å; E794-R798 WeakPolarHBondContact O-CG 3.43Å; E794-R798 PolarHBondContact O-N 2.84Å
795	L	73	Confident	71.6	Confident	2 Å²	2	64 Å²	64	1%	0.01	33%	0.332	C	S	.	.	H	α-helix	trans	-58.9	-45.8	172.5	178.5	62.6	0	0	0	110.9	V771 I786 D792 N797 R798 L799	V771-L795 HydrophobicContact CG1-CD1 3.7Å; V771-L795 HydrophobicContact CG1-CD2 4.01Å; V771-L795 HydrophobicContact CG2-CD2 3.85Å; I786-L795 HydrophobicContact CG2-CD2 4.27Å; D792-L795 HydrophobicContact CB-CB 4.21Å; D792-L795 PolarHBondContact OD1-N 3.29Å; D792-L795 VanDerWaalsContact OD1-N 3.15Å; L795-N797 PolarHBondContact O-N 3.22Å; L795-R798 PolarHBondContact O-N 2.98Å; L795-L799 HydrophobicContact CD1-CD1 4.28Å; L795-L799 HydrophobicContact CD1-CG 4.34Å; L795-L799 HydrophobicContact CG-CD1 4.14Å; L795-L799 WeakPolarHBondContact O-CG 3.36Å; L795-L799 PolarHBondContact O-N 2.84Å
796	F	70.7	Confident	71.4	Confident	3 Å²	3	66.1 Å²	66.1	1%	0.013	34%	0.343	C	S	.	.	H	α-helix	trans	-59.5	-45.5	178.7	-170.4	-88.3	0	0	0	112	C787 D792 E794 R798 L799 L800 F808 V812 L825 Y828	C787-F796 HydrophobicContact CB-CD2 4.26Å; D792-F796 PolarHBondContact O-N 3.09Å; E794-F796 VanDerWaalsContact C-N 3.32Å; E794-F796 PolarHBondContact O-N 2.92Å; F796-R798 VanDerWaalsContact C-N 3.34Å; F796-R798 PolarHBondContact O-N 3.09Å; F796-L799 PolarHBondContact O-N 3.39Å; F796-L800 HydrophobicContact CE1-CD1 4.08Å; F796-L800 HydrophobicContact CZ-CD1 4.35Å; F796-L800 WeakPolarHBondContact O-CB 3.34Å; F796-L800 PolarHBondContact O-N 2.68Å; F796-F808 AromaticContact CD2-CE1 3.81Å; F796-F808 HydrophobicContact CD2-CE1 3.81Å; F796-F808 AromaticContact CD2-CZ 3.81Å; F796-F808 HydrophobicContact CD2-CZ 3.81Å; F796-F808 AromaticContact CE2-CE1 3.47Å; F796-F808 HydrophobicContact CE2-CE1 3.47Å; F796-F808 VanDerWaalsContact CE2-CE1 3.47Å; F796-F808 AromaticContact CE2-CZ 3.73Å; F796-F808 HydrophobicContact CE2-CZ 3.73Å; F796-F808 HydrophobicContact CZ-CE1 4.02Å; F796-V812 HydrophobicContact CE2-CG2 4.4Å; F796-L825 HydrophobicContact CD2-CD2 3.74Å; F796-L825 HydrophobicContact CE2-CD2 3.57Å; F796-Y828 AromaticContact CD1-CD1 3.95Å; F796-Y828 HydrophobicContact CD1-CD1 3.95Å; F796-Y828 AromaticContact CD1-CD2 3.96Å; F796-Y828 HydrophobicContact CD1-CD2 3.96Å; F796-Y828 HydrophobicContact CD1-CE1 4.26Å; F796-Y828 HydrophobicContact CD1-CE2 4.26Å; F796-Y828 AromaticContact CD1-CG 3.82Å; F796-Y828 HydrophobicContact CD1-CG 3.82Å; F796-Y828 AromaticContact CE1-CD1 3.55Å; F796-Y828 HydrophobicContact CE1-CD1 3.55Å; F796-Y828 AromaticContact CE1-CD2 3.87Å; F796-Y828 HydrophobicContact CE1-CD2 3.87Å; F796-Y828 HydrophobicContact CE1-CE1 4.3Å; F796-Y828 AromaticContact CE1-CG 3.32Å; F796-Y828 HydrophobicContact CE1-CG 3.32Å; F796-Y828 HydrophobicContact CG-CD2 4.47Å; F796-Y828 HydrophobicContact CZ-CD1 4.42Å; F796-Y828 HydrophobicContact CZ-CD2 4.27Å; F796-Y828 AromaticContact CZ-CG 3.8Å; F796-Y828 HydrophobicContact CZ-CG 3.8Å
797	N	72.2	Confident	71.3	Confident	61 Å²	61	70 Å²	70	33%	0.326	36%	0.364	S	S	.	.	H	α-helix	trans	-63.5	-38.1	177.3	-74.5	-29.4	0	0	0	112.4	I793 E794 L795 L800 H801	I793-N797 WeakPolarHBondContact O-CB 3.36Å; I793-N797 VanDerWaalsContact O-CG 3.24Å; I793-N797 PolarHBondContact O-N 3.02Å; I793-N797 PolarHBondContact O-ND2 2.79Å; I793-N797 VanDerWaalsContact O-ND2 3.15Å; E794-N797 PolarHBondContact O-N 3.19Å; L795-N797 PolarHBondContact O-N 3.22Å; N797-L800 PolarHBondContact O-N 3.33Å; N797-H801 PolarHBondContact O-CD2 3.34Å; N797-H801 PolarHBondContact O-N 2.74Å; N797-H801 VanDerWaalsContact O-N 3.1Å
798	R	76.6	Confident	71.4	Confident	129 Å²	129	69.7 Å²	69.7	49%	0.487	36%	0.362	S	S	.	.	H	α-helix	trans	-61.6	-46.1	174.5	-76.4	-169	-71.5	136.4	-8.1	111.8	E775 E794 L795 F796 L800 H801 G802	E775-R798 IonicContact OE1-NH1 2.91Å; E775-R798 PolarHBondContact OE1-NH1 3.35Å; E775-R798 IonicContact OE2-NH1 2.66Å; E775-R798 PolarHBondContact OE2-NH1 3.42Å; E794-R798 WeakPolarHBondContact O-CG 3.43Å; E794-R798 PolarHBondContact O-N 2.84Å; L795-R798 PolarHBondContact O-N 2.98Å; F796-R798 VanDerWaalsContact C-N 3.34Å; F796-R798 PolarHBondContact O-N 3.09Å; R798-L800 VanDerWaalsContact C-N 3.32Å; R798-L800 PolarHBondContact O-N 2.81Å; R798-H801 PolarHBondContact O-N 2.84Å; R798-G802 PolarHBondContact O-N 2.94Å
799	L	72.1	Confident	71.4	Confident	17 Å²	17	69 Å²	69	9%	0.089	35%	0.353	C	S	.	.	H	α-helix	trans	-66.3	-34.6	178.8	-64.9	174.2	0	0	0	112.3	L783 L795 F796 G802 F808	L783-L799 HydrophobicContact CB-CD1 3.98Å; L783-L799 HydrophobicContact CD1-CD1 4.09Å; L783-L799 HydrophobicContact CD1-CD2 3.9Å; L783-L799 HydrophobicContact CD2-CD1 4.41Å; L783-L799 HydrophobicContact CG-CD1 4.39Å; L795-L799 HydrophobicContact CD1-CD1 4.28Å; L795-L799 HydrophobicContact CD1-CG 4.34Å; L795-L799 HydrophobicContact CG-CD1 4.14Å; L795-L799 WeakPolarHBondContact O-CG 3.36Å; L795-L799 PolarHBondContact O-N 2.84Å; F796-L799 PolarHBondContact O-N 3.39Å; L799-G802 PolarHBondContact O-N 3.17Å; L799-F808 HydrophobicContact CB-CD1 4.03Å; L799-F808 HydrophobicContact CB-CE1 3.97Å; L799-F808 HydrophobicContact CB-CG 4.33Å; L799-F808 HydrophobicContact CB-CZ 4.24Å; L799-F808 HydrophobicContact CD1-CD2 4.22Å; L799-F808 HydrophobicContact CD1-CE1 4.37Å; L799-F808 HydrophobicContact CD1-CE2 3.7Å; L799-F808 HydrophobicContact CD1-CZ 3.79Å
800	L	70.1	Confident	71.5	Confident	23 Å²	23	67.7 Å²	67.7	12%	0.12	35%	0.349	C	S	.	.	H	α-helix	trans	-70.5	-32.8	178	-159.4	82.6	0	0	0	113	F796 N797 R798 G802 S805 L809 H832	F796-L800 HydrophobicContact CE1-CD1 4.08Å; F796-L800 HydrophobicContact CZ-CD1 4.35Å; F796-L800 WeakPolarHBondContact O-CB 3.34Å; F796-L800 PolarHBondContact O-N 2.68Å; N797-L800 PolarHBondContact O-N 3.33Å; R798-L800 VanDerWaalsContact C-N 3.32Å; R798-L800 PolarHBondContact O-N 2.81Å; L800-G802 VanDerWaalsContact C-N 3.33Å; L800-S805 VanDerWaalsContact O-CB 3.25Å; L800-S805 WeakPolarHBondContact O-CB 3.43Å; L800-L809 HydrophobicContact CD1-CD1 4.45Å; L800-L809 HydrophobicContact CD1-CD2 3.91Å; L800-L809 HydrophobicContact CD1-CG 4.31Å; L800-H832 HydrophobicContact CD1-CB 4.18Å
801	H	71.5	Confident	71.5	Confident	160 Å²	160	67.3 Å²	67.3	74%	0.741	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.2	-3.9	176.7	-74.3	-58	0	0	0	114	N797 R798	N797-H801 PolarHBondContact O-CD2 3.34Å; N797-H801 PolarHBondContact O-N 2.74Å; N797-H801 VanDerWaalsContact O-N 3.1Å; R798-H801 PolarHBondContact O-N 2.84Å
802	G	71.2	Confident	71.7	Confident	33 Å²	33	64.1 Å²	64.1	34%	0.34	33%	0.325	S	S	.	.	S	Bend	trans	-77	162.5	178.5	0	0	0	0	0	114.4	R798 L799 L800 K804 S805	R798-G802 PolarHBondContact O-N 2.94Å; L799-G802 PolarHBondContact O-N 3.17Å; L800-G802 VanDerWaalsContact C-N 3.33Å; G802-K804 PolarHBondContact O-N 3Å; G802-S805 WeakPolarHBondContact O-CB 2.86Å; G802-S805 PolarHBondContact O-N 2.97Å; G802-S805 PolarHBondContact O-OG 3.35Å
803	D	71.7	Confident	71.7	Confident	178 Å²	178	62 Å²	62	95%	0.952	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-27.6	-179	-69.8	-23.4	0	0	0	113.3
804	K	69.5	Low	71.9	Confident	98 Å²	98	63 Å²	63	43%	0.426	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.2	27.7	-179.2	-62	-176.3	-179.6	179.3	0	113.7	D778 F780 G802 Q806 D807 F808	D778-K804 HydrophobicContact CB-CD 4.49Å; D778-K804 IonicContact OD2-NZ 3.63Å; D778-K804 PolarHBondContact OD2-NZ 2.79Å; F780-K804 HydrophobicContact CE1-CB 4.5Å; F780-K804 HydrophobicContact CE2-CB 4.23Å; F780-K804 HydrophobicContact CE2-CD 4.39Å; F780-K804 HydrophobicContact CZ-CB 3.6Å; F780-K804 HydrophobicContact CZ-CD 4.02Å; F780-K804 HydrophobicContact CZ-CG 4.49Å; G802-K804 PolarHBondContact O-N 3Å; K804-Q806 PolarHBondContact O-N 3.11Å; K804-Q806 VanDerWaalsContact O-N 3.13Å; K804-D807 PolarHBondContact O-N 3.43Å; K804-F808 PolarHBondContact O-N 3.12Å
805	S	68.5	Low	71.8	Confident	32 Å²	32	57 Å²	57	22%	0.224	29%	0.293	C	S	.	.	H	α-helix	trans	-57.7	-26.9	-178.7	53.1	0	0	0	0	114.2	L800 G802 L809	L800-S805 VanDerWaalsContact O-CB 3.25Å; L800-S805 WeakPolarHBondContact O-CB 3.43Å; G802-S805 WeakPolarHBondContact O-CB 2.86Å; G802-S805 PolarHBondContact O-N 2.97Å; G802-S805 PolarHBondContact O-OG 3.35Å; S805-L809 WeakPolarHBondContact O-CB 3.45Å; S805-L809 VanDerWaalsContact O-CG 3.22Å; S805-L809 WeakPolarHBondContact O-CG 3.41Å; S805-L809 PolarHBondContact O-N 3.38Å
806	Q	71.3	Confident	71.6	Confident	101 Å²	101	56.9 Å²	56.9	47%	0.472	29%	0.292	S	S	.	.	H	α-helix	trans	-69.6	-47.6	177.1	-70.2	-166.1	6	0	0	112.8	K804 F808 L809 D810	K804-Q806 PolarHBondContact O-N 3.11Å; K804-Q806 VanDerWaalsContact O-N 3.13Å; Q806-F808 PolarHBondContact O-N 3.14Å; Q806-L809 CarbonylContact O-C 3.59Å; Q806-L809 PolarHBondContact O-N 2.95Å; Q806-D810 PolarHBondContact O-N 3.32Å
807	D	72	Confident	71.4	Confident	84 Å²	84	59 Å²	59	45%	0.449	31%	0.308	S	S	.	.	H	α-helix	trans	-61.3	-35.4	178.9	-57.5	-21	0	0	0	111.3	F780 K804 S811	F780-D807 HydrophobicContact CD2-CB 3.57Å; F780-D807 HydrophobicContact CE2-CB 3.4Å; F780-D807 HydrophobicContact CZ-CB 4.27Å; K804-D807 PolarHBondContact O-N 3.43Å; D807-S811 PolarHBondContact O-N 2.87Å; D807-S811 VanDerWaalsContact O-N 3.08Å; D807-S811 PolarHBondContact O-OG 3.18Å
808	F	75.7	Confident	71.3	Confident	0 Å²	0	65.6 Å²	65.6	0%	0	33%	0.328	C	S	.	.	H	α-helix	trans	-65.8	-47.7	171.4	178.6	-113.8	0	0	0	112.2	F780 L783 A784 F796 L799 K804 Q806 D810 S811 V812	F780-F808 HydrophobicContact CB-CD2 4.27Å; F780-F808 HydrophobicContact CD1-CB 3.65Å; F780-F808 AromaticContact CD1-CD2 3.89Å; F780-F808 HydrophobicContact CD1-CD2 3.89Å; F780-F808 HydrophobicContact CD1-CG 4.22Å; F780-F808 HydrophobicContact CE1-CB 4.04Å; F780-F808 HydrophobicContact CG-CB 4.14Å; F780-F808 HydrophobicContact CG-CD2 4.46Å; L783-F808 HydrophobicContact CB-CE2 4.12Å; A784-F808 HydrophobicContact CB-CE2 4.24Å; F796-F808 AromaticContact CD2-CE1 3.81Å; F796-F808 HydrophobicContact CD2-CE1 3.81Å; F796-F808 AromaticContact CD2-CZ 3.81Å; F796-F808 HydrophobicContact CD2-CZ 3.81Å; F796-F808 AromaticContact CE2-CE1 3.47Å; F796-F808 HydrophobicContact CE2-CE1 3.47Å; F796-F808 VanDerWaalsContact CE2-CE1 3.47Å; F796-F808 AromaticContact CE2-CZ 3.73Å; F796-F808 HydrophobicContact CE2-CZ 3.73Å; F796-F808 HydrophobicContact CZ-CE1 4.02Å; L799-F808 HydrophobicContact CB-CD1 4.03Å; L799-F808 HydrophobicContact CB-CE1 3.97Å; L799-F808 HydrophobicContact CB-CG 4.33Å; L799-F808 HydrophobicContact CB-CZ 4.24Å; L799-F808 HydrophobicContact CD1-CD2 4.22Å; L799-F808 HydrophobicContact CD1-CE1 4.37Å; L799-F808 HydrophobicContact CD1-CE2 3.7Å; L799-F808 HydrophobicContact CD1-CZ 3.79Å; K804-F808 PolarHBondContact O-N 3.12Å; Q806-F808 PolarHBondContact O-N 3.14Å; F808-D810 VanDerWaalsContact C-N 3.28Å; F808-D810 PolarHBondContact O-N 3.44Å; F808-S811 WeakPolarHBondContact O-CB 3.15Å; F808-S811 PolarHBondContact O-N 3.48Å; F808-V812 HydrophobicContact CD1-CG2 4.25Å; F808-V812 HydrophobicContact CD2-CG2 4.28Å; F808-V812 HydrophobicContact CE1-CG2 3.85Å; F808-V812 HydrophobicContact CE2-CG2 3.88Å; F808-V812 HydrophobicContact CG-CG2 4.46Å; F808-V812 HydrophobicContact CZ-CG2 3.66Å; F808-V812 VanDerWaalsContact O-CG2 3.31Å; F808-V812 WeakPolarHBondContact O-CG2 3.42Å; F808-V812 PolarHBondContact O-N 3.14Å
809	L	71.6	Confident	70.8	Confident	21 Å²	21	61.2 Å²	61.2	11%	0.11	31%	0.313	C	S	.	.	H	α-helix	trans	-61.6	-36.7	177.8	-76.1	170.6	0	0	0	112.2	L800 S805 Q806 V812 N813 H832	L800-L809 HydrophobicContact CD1-CD1 4.45Å; L800-L809 HydrophobicContact CD1-CD2 3.91Å; L800-L809 HydrophobicContact CD1-CG 4.31Å; S805-L809 WeakPolarHBondContact O-CB 3.45Å; S805-L809 VanDerWaalsContact O-CG 3.22Å; S805-L809 WeakPolarHBondContact O-CG 3.41Å; S805-L809 PolarHBondContact O-N 3.38Å; Q806-L809 CarbonylContact O-C 3.59Å; Q806-L809 PolarHBondContact O-N 2.95Å; L809-V812 PolarHBondContact O-N 2.9Å; L809-N813 WeakPolarHBondContact O-CB 3.32Å; L809-N813 PolarHBondContact O-N 3.21Å; L809-N813 PolarHBondContact O-ND2 2.85Å; L809-N813 VanDerWaalsContact O-ND2 3.1Å; L809-H832 HydrophobicContact CD2-CB 4.34Å
810	D	74	Confident	70.2	Confident	82 Å²	82	65.6 Å²	65.6	44%	0.439	34%	0.341	S	S	.	.	H	α-helix	trans	-65.7	-43.3	175.2	-69.4	-19.2	0	0	0	111	Q806 F808 V812 N813 D814	Q806-D810 PolarHBondContact O-N 3.32Å; F808-D810 VanDerWaalsContact C-N 3.28Å; F808-D810 PolarHBondContact O-N 3.44Å; D810-V812 VanDerWaalsContact C-N 3.31Å; D810-V812 PolarHBondContact O-N 3.01Å; D810-N813 WeakPolarHBondContact O-CB 3.45Å; D810-N813 PolarHBondContact O-N 2.93Å; D810-N813 VanDerWaalsContact O-N 3.17Å; D810-D814 PolarHBondContact O-N 3.37Å
811	S	69.5	Low	69.7	Low	21 Å²	21	68.9 Å²	68.9	15%	0.147	36%	0.362	C	S	.	.	H	α-helix	trans	-62.9	-36.2	173	-61.2	0	0	0	0	112.9	F780 D807 F808 L815	F780-S811 VanDerWaalsContact CB-OG 3.23Å; F780-S811 WeakPolarHBondContact CB-OG 3.2Å; D807-S811 PolarHBondContact O-N 2.87Å; D807-S811 VanDerWaalsContact O-N 3.08Å; D807-S811 PolarHBondContact O-OG 3.18Å; F808-S811 WeakPolarHBondContact O-CB 3.15Å; F808-S811 PolarHBondContact O-N 3.48Å; S811-L815 WeakPolarHBondContact O-CB 2.73Å; S811-L815 PolarHBondContact O-N 2.97Å
812	V	71.8	Confident	69.2	Low	0 Å²	0	66.2 Å²	66.2	0%	0	35%	0.348	C	S	.	.	H	α-helix	trans	-67.6	-41.1	173.9	171.9	0	0	0	0	110.6	A784 F796 F808 L809 D810 L815 C816 L825 A829	A784-V812 HydrophobicContact CB-CG2 3.88Å; F796-V812 HydrophobicContact CE2-CG2 4.4Å; F808-V812 HydrophobicContact CD1-CG2 4.25Å; F808-V812 HydrophobicContact CD2-CG2 4.28Å; F808-V812 HydrophobicContact CE1-CG2 3.85Å; F808-V812 HydrophobicContact CE2-CG2 3.88Å; F808-V812 HydrophobicContact CG-CG2 4.46Å; F808-V812 HydrophobicContact CZ-CG2 3.66Å; F808-V812 VanDerWaalsContact O-CG2 3.31Å; F808-V812 WeakPolarHBondContact O-CG2 3.42Å; F808-V812 PolarHBondContact O-N 3.14Å; L809-V812 PolarHBondContact O-N 2.9Å; D810-V812 VanDerWaalsContact C-N 3.31Å; D810-V812 PolarHBondContact O-N 3.01Å; V812-L815 PolarHBondContact O-N 3.07Å; V812-C816 WeakPolarHBondContact O-CB 3.19Å; V812-C816 PolarHBondContact O-N 3.2Å; V812-C816 PolarHBondContact O-SG 3.11Å; V812-L825 HydrophobicContact CG1-CB 4.48Å; V812-A829 HydrophobicContact CG1-CB 4.01Å
813	N	70.7	Confident	69	Low	23 Å²	23	66.1 Å²	66.1	12%	0.123	35%	0.347	C	S	.	.	H	α-helix	trans	-63.1	-44.8	176.6	-70.7	-33.3	0	0	0	111.2	L809 D810 L815 C816 S817	L809-N813 WeakPolarHBondContact O-CB 3.32Å; L809-N813 PolarHBondContact O-N 3.21Å; L809-N813 PolarHBondContact O-ND2 2.85Å; L809-N813 VanDerWaalsContact O-ND2 3.1Å; D810-N813 WeakPolarHBondContact O-CB 3.45Å; D810-N813 PolarHBondContact O-N 2.93Å; D810-N813 VanDerWaalsContact O-N 3.17Å; N813-L815 VanDerWaalsContact C-N 3.34Å; N813-L815 PolarHBondContact O-N 3.2Å; N813-C816 PolarHBondContact O-N 2.82Å; N813-S817 PolarHBondContact O-N 2.84Å
814	D	72.2	Confident	68.8	Low	102 Å²	102	61.2 Å²	61.2	55%	0.545	32%	0.32	S	S	.	.	H	α-helix	trans	-60.1	-43.1	175	-81.6	-6.8	0	0	0	111.6	D810 S817	D810-D814 PolarHBondContact O-N 3.37Å; D814-S817 PolarHBondContact O-N 3Å; D814-S817 PolarHBondContact O-OG 3.08Å
815	L	70.9	Confident	68.7	Low	26 Å²	26	56.9 Å²	56.9	14%	0.136	30%	0.302	C	S	.	.	H	α-helix	trans	-64.7	-45.7	175.7	-176.9	65.3	0	0	0	111.7	A784 K785 A788 S811 V812 N813 S817 R818 E819 L825	A784-L815 HydrophobicContact CB-CD2 3.99Å; K785-L815 HydrophobicContact CB-CD2 4.45Å; K785-L815 HydrophobicContact CD-CD1 3.93Å; K785-L815 HydrophobicContact CD-CD2 4.24Å; A788-L815 HydrophobicContact CB-CD2 4.18Å; S811-L815 WeakPolarHBondContact O-CB 2.73Å; S811-L815 PolarHBondContact O-N 2.97Å; V812-L815 PolarHBondContact O-N 3.07Å; N813-L815 VanDerWaalsContact C-N 3.34Å; N813-L815 PolarHBondContact O-N 3.2Å; L815-S817 PolarHBondContact O-N 3.44Å; L815-R818 PolarHBondContact O-N 2.73Å; L815-E819 HydrophobicContact CD1-CG 4.42Å; L815-E819 PolarHBondContact O-N 3.29Å; L815-E819 VanDerWaalsContact O-N 3.13Å; L815-L825 HydrophobicContact CD2-CD1 3.97Å
816	C	68.8	Low	68.7	Low	0 Å²	0	55.5 Å²	55.5	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-62.2	-30.3	178.1	-68.6	0	0	0	0	112.3	V812 N813 R818	V812-C816 WeakPolarHBondContact O-CB 3.19Å; V812-C816 PolarHBondContact O-N 3.2Å; V812-C816 PolarHBondContact O-SG 3.11Å; N813-C816 PolarHBondContact O-N 2.82Å; C816-R818 VanDerWaalsContact C-N 3.25Å; C816-R818 PolarHBondContact O-N 2.89Å
817	S	66.7	Low	68.5	Low	48 Å²	48	54 Å²	54	34%	0.336	29%	0.285	S	S	.	.	H	α-helix	trans	-68.1	-25.5	175.8	77	0	0	0	0	113.3	N813 D814 L815 E838	N813-S817 PolarHBondContact O-N 2.84Å; D814-S817 PolarHBondContact O-N 3Å; D814-S817 PolarHBondContact O-OG 3.08Å; L815-S817 PolarHBondContact O-N 3.44Å; S817-E838 WeakPolarHBondContact CA-O 3.36Å
818	R	70.2	Confident	68.3	Low	199 Å²	199	51.7 Å²	51.7	75%	0.751	27%	0.27	S	S	*	.	H	α-helix	trans	-92.2	-27.9	-179	-63.9	179.4	-173.2	-161.5	2.5	113.1	L815 C816	L815-R818 PolarHBondContact O-N 2.73Å; C816-R818 VanDerWaalsContact C-N 3.25Å; C816-R818 PolarHBondContact O-N 2.89Å
819	E	66.8	Low	68	Low	38 Å²	38	51.7 Å²	51.7	18%	0.178	27%	0.27	C	S	.	.			trans	-80	142.7	-178.5	-69.8	-171.2	165.3	0	0	112.2	K785 L815 H826	K785-E819 IonicContact NZ-OE1 3.71Å; K785-E819 PolarHBondContact NZ-OE1 2.89Å; L815-E819 HydrophobicContact CD1-CG 4.42Å; L815-E819 PolarHBondContact O-N 3.29Å; L815-E819 VanDerWaalsContact O-N 3.13Å; E819-H826 IonicContact OE2-CE1 3.09Å
820	T	60.2	Low	68	Low	108 Å²	108	50.9 Å²	50.9	66%	0.663	27%	0.266	S	S	*	.	S	Bend	trans	-90.8	-19.2	177.9	55.6	0	0	0	0	112.7
821	T	59.4	Low	67.8	Low	93 Å²	93	51.2 Å²	51.2	57%	0.571	26%	0.263	S	S	*	.	S	Bend	trans	-104.9	123.2	-171.7	50.5	0	0	0	0	111.6	G823 H826	T821-G823 PolarHBondContact O-N 3.47Å; T821-H826 PolarHBondContact O-CE1 3.42Å; T821-H826 PolarHBondContact O-NE2 2.92Å
822	F	60.2	Low	67.8	Low	103 Å²	103	54.7 Å²	54.7	45%	0.452	28%	0.277	S	S	.	.			trans	-64.9	117.3	171.7	-176.3	-99.9	0	0	0	110.8	H826 E827 I830 T845 L848	F822-H826 HydrophobicContact CD2-CB 3.33Å; F822-H826 AromaticContact CD2-CD2 3.99Å; F822-H826 AromaticContact CD2-CG 3.85Å; F822-H826 HydrophobicContact CE2-CB 3.33Å; F822-H826 HydrophobicContact CG-CB 4.22Å; F822-H826 HydrophobicContact CZ-CB 4.17Å; F822-E827 HydrophobicContact CZ-CB 4.28Å; F822-I830 HydrophobicContact CE2-CD1 4.05Å; F822-T845 HydrophobicContact CD2-CG2 3.2Å; F822-T845 HydrophobicContact CE2-CG2 3.48Å; F822-T845 VanDerWaalsContact CE2-CG2 3.48Å; F822-T845 HydrophobicContact CG-CG2 4.05Å; F822-L848 HydrophobicContact CE2-CD2 4.46Å; F822-L848 HydrophobicContact CZ-CD2 3.85Å
823	G	68.1	Low	67.5	Low	31 Å²	31	55 Å²	55	32%	0.32	28%	0.281	S	S	.	.			trans	-124.8	-177.3	178.2	0	0	0	0	0	113.5	T821 L825 H826 E827	T821-G823 PolarHBondContact O-N 3.47Å; G823-L825 PolarHBondContact O-N 2.88Å; G823-H826 PolarHBondContact N-ND1 3.43Å; G823-H826 VanDerWaalsContact N-ND1 3.19Å; G823-H826 VanDerWaalsContact O-CB 3.28Å; G823-H826 WeakPolarHBondContact O-CB 3.46Å; G823-H826 PolarHBondContact O-N 3.22Å; G823-E827 PolarHBondContact O-N 2.83Å
824	I	67.2	Low	67.2	Low	76 Å²	76	63.2 Å²	63.2	39%	0.39	31%	0.31	S	S	.	.	H	α-helix	trans	-54.2	-39.8	179.5	-66.9	168.5	0	0	0	111.7	H826 E827 Y828	I824-H826 PolarHBondContact O-N 2.83Å; I824-E827 WeakPolarHBondContact O-CB 3.08Å; I824-E827 PolarHBondContact O-N 3.28Å; I824-Y828 HydrophobicContact CG2-CD2 3.59Å; I824-Y828 HydrophobicContact CG2-CE2 3.28Å; I824-Y828 WeakPolarHBondContact O-CD2 3.46Å; I824-Y828 PolarHBondContact O-N 3.03Å; I824-Y828 VanDerWaalsContact O-N 3.12Å
825	L	66.8	Low	66.9	Low	7 Å²	7	65 Å²	65	4%	0.037	32%	0.315	C	S	.	.	H	α-helix	trans	-57.7	-36.5	175.3	-73.2	-175	0	0	0	113.5	A784 C787 A788 F796 V812 L815 G823 Y828 A829	A784-L825 WeakPolarHBondContact O-CD1 3.31Å; C787-L825 HydrophobicContact CB-CD2 3.76Å; A788-L825 HydrophobicContact CB-CD1 3.36Å; A788-L825 HydrophobicContact CB-CG 4.33Å; F796-L825 HydrophobicContact CD2-CD2 3.74Å; F796-L825 HydrophobicContact CE2-CD2 3.57Å; V812-L825 HydrophobicContact CG1-CB 4.48Å; L815-L825 HydrophobicContact CD2-CD1 3.97Å; G823-L825 PolarHBondContact O-N 2.88Å; L825-Y828 PolarHBondContact O-N 2.86Å; L825-A829 VanDerWaalsContact O-CB 3.28Å; L825-A829 WeakPolarHBondContact O-CB 3.46Å; L825-A829 PolarHBondContact O-N 3.29Å
826	H	69.3	Low	66.7	Low	2 Å²	2	67.5 Å²	67.5	1%	0.009	33%	0.325	C	S	.	.	H	α-helix	trans	-69.5	-39.3	-179.4	-61.7	59	0	0	0	110.1	E819 T821 F822 G823 I824 Y828 A829 I830 M839	E819-H826 IonicContact OE2-CE1 3.09Å; T821-H826 PolarHBondContact O-CE1 3.42Å; T821-H826 PolarHBondContact O-NE2 2.92Å; F822-H826 HydrophobicContact CD2-CB 3.33Å; F822-H826 AromaticContact CD2-CD2 3.99Å; F822-H826 AromaticContact CD2-CG 3.85Å; F822-H826 HydrophobicContact CE2-CB 3.33Å; F822-H826 HydrophobicContact CG-CB 4.22Å; F822-H826 HydrophobicContact CZ-CB 4.17Å; G823-H826 PolarHBondContact N-ND1 3.43Å; G823-H826 VanDerWaalsContact N-ND1 3.19Å; G823-H826 VanDerWaalsContact O-CB 3.28Å; G823-H826 WeakPolarHBondContact O-CB 3.46Å; G823-H826 PolarHBondContact O-N 3.22Å; I824-H826 PolarHBondContact O-N 2.83Å; H826-Y828 VanDerWaalsContact C-N 3.34Å; H826-Y828 PolarHBondContact O-N 3.27Å; H826-A829 PolarHBondContact O-N 3.18Å; H826-I830 WeakPolarHBondContact O-CB 3.48Å; H826-I830 WeakPolarHBondContact O-CD1 3.41Å; H826-I830 WeakPolarHBondContact O-CG1 3.42Å; H826-I830 PolarHBondContact O-N 3.36Å; H826-M839 HydrophobicContact CB-CE 4.07Å; H826-M839 WeakPolarHBondContact CD2-CE 3.24Å
827	E	67	Low	66.6	Low	70 Å²	70	67.9 Å²	67.9	33%	0.327	33%	0.327	S	S	.	.	H	α-helix	trans	-61.1	-43.6	174.3	-171.9	-179.7	173.2	0	0	111.4	F822 G823 I824 I830 K831 L848	F822-E827 HydrophobicContact CZ-CB 4.28Å; G823-E827 PolarHBondContact O-N 2.83Å; I824-E827 WeakPolarHBondContact O-CB 3.08Å; I824-E827 PolarHBondContact O-N 3.28Å; E827-I830 PolarHBondContact O-N 3.33Å; E827-K831 HydrophobicContact CG-CD 4.32Å; E827-K831 WeakPolarHBondContact O-CB 3.31Å; E827-K831 WeakPolarHBondContact O-CG 3.38Å; E827-K831 PolarHBondContact O-N 2.87Å; E827-K831 VanDerWaalsContact OE1-CE 3.23Å; E827-K831 WeakPolarHBondContact OE1-CE 3.48Å; E827-K831 IonicContact OE1-NZ 3.03Å; E827-K831 PolarHBondContact OE1-NZ 2.78Å; E827-L848 HydrophobicContact CG-CD2 4.23Å
828	Y	67.8	Low	66.4	Low	36 Å²	36	73.6 Å²	73.6	14%	0.141	35%	0.349	C	S	.	.	H	α-helix	trans	-70.4	-42.6	177.6	-75.1	-69.8	0	0	0	113.4	I793 F796 I824 L825 H826 I830 K831 H832	I793-Y828 WeakPolarHBondContact CG2-OH 3.38Å; F796-Y828 AromaticContact CD1-CD1 3.95Å; F796-Y828 HydrophobicContact CD1-CD1 3.95Å; F796-Y828 AromaticContact CD1-CD2 3.96Å; F796-Y828 HydrophobicContact CD1-CD2 3.96Å; F796-Y828 HydrophobicContact CD1-CE1 4.26Å; F796-Y828 HydrophobicContact CD1-CE2 4.26Å; F796-Y828 AromaticContact CD1-CG 3.82Å; F796-Y828 HydrophobicContact CD1-CG 3.82Å; F796-Y828 AromaticContact CE1-CD1 3.55Å; F796-Y828 HydrophobicContact CE1-CD1 3.55Å; F796-Y828 AromaticContact CE1-CD2 3.87Å; F796-Y828 HydrophobicContact CE1-CD2 3.87Å; F796-Y828 HydrophobicContact CE1-CE1 4.3Å; F796-Y828 AromaticContact CE1-CG 3.32Å; F796-Y828 HydrophobicContact CE1-CG 3.32Å; F796-Y828 HydrophobicContact CG-CD2 4.47Å; F796-Y828 HydrophobicContact CZ-CD1 4.42Å; F796-Y828 HydrophobicContact CZ-CD2 4.27Å; F796-Y828 AromaticContact CZ-CG 3.8Å; F796-Y828 HydrophobicContact CZ-CG 3.8Å; I824-Y828 HydrophobicContact CG2-CD2 3.59Å; I824-Y828 HydrophobicContact CG2-CE2 3.28Å; I824-Y828 WeakPolarHBondContact O-CD2 3.46Å; I824-Y828 PolarHBondContact O-N 3.03Å; I824-Y828 VanDerWaalsContact O-N 3.12Å; L825-Y828 PolarHBondContact O-N 2.86Å; H826-Y828 VanDerWaalsContact C-N 3.34Å; H826-Y828 PolarHBondContact O-N 3.27Å; Y828-I830 PolarHBondContact O-N 3.47Å; Y828-K831 PolarHBondContact O-N 2.83Å; Y828-K831 VanDerWaalsContact O-N 3.14Å; Y828-H832 PolarHBondContact O-CD2 3.35Å; Y828-H832 PolarHBondContact O-N 2.82Å
829	A	69.8	Low	66.1	Low	0 Å²	0	65.3 Å²	65.3	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-57.6	-38.9	174.4	0	0	0	0	0	110.9	V812 L825 H826 G833	V812-A829 HydrophobicContact CG1-CB 4.01Å; L825-A829 VanDerWaalsContact O-CB 3.28Å; L825-A829 WeakPolarHBondContact O-CB 3.46Å; L825-A829 PolarHBondContact O-N 3.29Å; H826-A829 PolarHBondContact O-N 3.18Å; A829-G833 WeakPolarHBondContact O-CA 3.13Å; A829-G833 PolarHBondContact O-N 3.27Å
830	I	70.7	Confident	65.8	Low	4 Å²	4	70.6 Å²	70.6	2%	0.021	34%	0.344	C	S	.	.	H	α-helix	trans	-70.9	-40.5	176	-71.3	168.1	0	0	0	112.1	F822 H826 E827 Y828 P837 M839 L848 Y849	F822-I830 HydrophobicContact CE2-CD1 4.05Å; H826-I830 WeakPolarHBondContact O-CB 3.48Å; H826-I830 WeakPolarHBondContact O-CD1 3.41Å; H826-I830 WeakPolarHBondContact O-CG1 3.42Å; H826-I830 PolarHBondContact O-N 3.36Å; E827-I830 PolarHBondContact O-N 3.33Å; Y828-I830 PolarHBondContact O-N 3.47Å; I830-P837 HydrophobicContact CG1-CG 3.91Å; I830-M839 HydrophobicContact CD1-CE 4.29Å; I830-L848 HydrophobicContact CD1-CD2 4.04Å; I830-L848 HydrophobicContact CG2-CB 4.44Å; I830-L848 HydrophobicContact CG2-CD2 4.28Å; I830-L848 HydrophobicContact CG2-CG 4.03Å; I830-Y849 HydrophobicContact CG2-CD2 4.26Å
831	K	70.5	Confident	65.9	Low	89 Å²	89	71 Å²	71	39%	0.387	33%	0.333	S	S	.	.	H	α-helix	trans	-68.5	-37.6	-179.9	-78	176.8	-175.5	169.7	0	113.4	E827 Y828 V852	E827-K831 HydrophobicContact CG-CD 4.32Å; E827-K831 WeakPolarHBondContact O-CB 3.31Å; E827-K831 WeakPolarHBondContact O-CG 3.38Å; E827-K831 PolarHBondContact O-N 2.87Å; E827-K831 VanDerWaalsContact OE1-CE 3.23Å; E827-K831 WeakPolarHBondContact OE1-CE 3.48Å; E827-K831 IonicContact OE1-NZ 3.03Å; E827-K831 PolarHBondContact OE1-NZ 2.78Å; Y828-K831 PolarHBondContact O-N 2.83Å; Y828-K831 VanDerWaalsContact O-N 3.14Å; K831-V852 HydrophobicContact CG-CG2 4.13Å
832	H	68.6	Low	65.8	Low	93 Å²	93	69.4 Å²	69.4	43%	0.431	33%	0.325	S	S	.	.	H	α-helix	trans	-112.9	-13.9	-171.6	-62.2	-73.7	0	0	0	114.2	L800 L809 Y828	L800-H832 HydrophobicContact CD1-CB 4.18Å; L809-H832 HydrophobicContact CD2-CB 4.34Å; Y828-H832 PolarHBondContact O-CD2 3.35Å; Y828-H832 PolarHBondContact O-N 2.82Å
833	G	65.4	Low	66	Low	8 Å²	8	66.4 Å²	66.4	8%	0.082	31%	0.31	C	S	.	.			trans	-72.6	138.9	-178	0	0	0	0	0	113.7	A829 R853	A829-G833 WeakPolarHBondContact O-CA 3.13Å; A829-G833 PolarHBondContact O-N 3.27Å; G833-R853 PolarHBondContact O-NH2 3.39Å
834	R	65	Low	65.9	Low	195 Å²	195	67.6 Å²	67.6	74%	0.736	31%	0.308	S	S	*	.	S	Bend	trans	-74.6	-39.9	170	-69.7	-175.3	177.3	-173.9	-0.2	111.5	R853	R834-R853 PolarHBondContact O-NH2 2.94Å
835	Q	66.4	Low	66.1	Low	140 Å²	140	64.3 Å²	64.3	65%	0.654	29%	0.291	S	S	*	.	S	Bend	trans	-95.3	153.6	-178.6	-61.2	-171.1	11.5	0	0	111.2
836	K	66.3	Low	66.7	Low	78 Å²	78	65 Å²	65	34%	0.339	30%	0.295	S	S	.	.	P	Polyproline II helix	trans	-75.6	126.4	173.3	177.2	-176.6	175.2	172.1	0	108	E838 D846 Y849	K836-E838 PolarHBondContact O-N 3.47Å; K836-D846 WeakPolarHBondContact CE-OD1 3.29Å; K836-D846 IonicContact NZ-OD1 3.48Å; K836-D846 PolarHBondContact NZ-OD1 3.5Å; K836-D846 IonicContact NZ-OD2 3.29Å; K836-D846 PolarHBondContact NZ-OD2 2.95Å; K836-Y849 HydrophobicContact CB-CE2 4.28Å
837	P	65.4	Low	67.4	Low	8 Å²	8	68.2 Å²	68.2	5%	0.052	31%	0.307	C	S	.	.	P	Polyproline II helix	trans	-63.5	124.9	173.2	24.7	-32.9	0	0	0	110.3	I830 M839	I830-P837 HydrophobicContact CG1-CG 3.91Å; P837-M839 HydrophobicContact CB-CE 3.85Å; P837-M839 HydrophobicContact CB-CG 4.48Å; P837-M839 HydrophobicContact CG-CE 3.6Å; P837-M839 PolarHBondContact O-N 2.97Å
838	E	62.5	Low	68.2	Low	167 Å²	167	65.9 Å²	65.9	78%	0.78	30%	0.296	S	S	*	.			trans	-78.7	100.1	173.1	-68.7	-168.4	166.5	0	0	109.3	S817 K836	S817-E838 WeakPolarHBondContact CA-O 3.36Å; K836-E838 PolarHBondContact O-N 3.47Å
839	M	63.9	Low	68.8	Low	25 Å²	25	65.2 Å²	65.2	12%	0.123	29%	0.294	C	S	.	.			trans	-103.3	147.7	177.6	-60.6	-179.8	-164.4	0	0	111.2	H826 I830 P837 R841 C842 T845	H826-M839 HydrophobicContact CB-CE 4.07Å; H826-M839 WeakPolarHBondContact CD2-CE 3.24Å; I830-M839 HydrophobicContact CD1-CE 4.29Å; P837-M839 HydrophobicContact CB-CE 3.85Å; P837-M839 HydrophobicContact CB-CG 4.48Å; P837-M839 HydrophobicContact CG-CE 3.6Å; P837-M839 PolarHBondContact O-N 2.97Å; M839-R841 PolarHBondContact O-N 2.87Å; M839-C842 PolarHBondContact O-N 3.43Å; M839-T845 HydrophobicContact CE-CG2 4.09Å; M839-T845 HydrophobicContact SD-CG2 3.63Å; M839-T845 PolarHBondContact SD-OG1 3.04Å
840	Q	60.7	Low	69.6	Low	150 Å²	150	67.4 Å²	67.4	70%	0.701	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.6	-33.7	174.2	-73.9	-175.3	-3.9	0	0	113
841	R	62.4	Low	70.3	Confident	117 Å²	117	72.6 Å²	72.6	44%	0.442	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.6	61.3	172.7	-65.4	-172.8	-179.6	-170.3	-0.5	111.7	M839 W843 H844 E872	M839-R841 PolarHBondContact O-N 2.87Å; R841-W843 PolarHBondContact O-N 2.83Å; R841-H844 PolarHBondContact O-N 2.68Å; R841-H844 VanDerWaalsContact O-N 3.13Å; R841-E872 IonicContact CZ-OE1 3.53Å; R841-E872 IonicContact NH1-OE1 2.77Å; R841-E872 PolarHBondContact NH1-OE1 2.8Å; R841-E872 IonicContact NH1-OE2 3.82Å; R841-E872 IonicContact NH2-OE1 2.63Å; R841-E872 PolarHBondContact NH2-OE1 2.83Å
842	C	57.4	Low	71	Confident	58 Å²	58	71 Å²	71	39%	0.392	32%	0.32	S	S	.	.	G	3₁₀ helix	trans	-45.5	-34	-178.1	54.3	0	0	0	0	115.4	M839 H844 T845 D846	M839-C842 PolarHBondContact O-N 3.43Å; C842-H844 VanDerWaalsContact C-N 3.29Å; C842-H844 PolarHBondContact O-N 3.34Å; C842-T845 PolarHBondContact O-N 3.47Å; C842-D846 PolarHBondContact O-N 3.09Å
843	W	64.6	Low	71.7	Confident	40 Å²	40	71.7 Å²	71.7	15%	0.152	32%	0.318	C	S	.	.	G	3₁₀ helix	trans	-67.3	-21.7	-176.2	56.9	-96.9	0	0	0	115	R841 T845 V865 A866 N869 E870	R841-W843 PolarHBondContact O-N 2.83Å; W843-T845 VanDerWaalsContact C-N 3.33Å; W843-T845 PolarHBondContact O-N 3.03Å; W843-V865 HydrophobicContact CB-CG1 3.83Å; W843-A866 VanDerWaalsContact CE3-CA 3.44Å; W843-A866 HydrophobicContact CE3-CB 3.74Å; W843-A866 HydrophobicContact CZ3-CB 4.22Å; W843-A866 WeakPolarHBondContact CZ3-O 3.32Å; W843-A866 WeakPolarHBondContact O-CB 3.38Å; W843-N869 HydrophobicContact CD2-CB 3.96Å; W843-N869 HydrophobicContact CE3-CB 4.37Å; W843-N869 HydrophobicContact CG-CB 4.32Å; W843-N869 HydrophobicContact CH2-CB 4.26Å; W843-N869 HydrophobicContact CZ2-CB 3.95Å; W843-N869 HydrophobicContact CZ3-CB 4.46Å; W843-E870 HydrophobicContact CH2-CB 4.45Å
844	H	67.4	Low	72.6	Confident	57 Å²	57	78 Å²	78	26%	0.264	35%	0.345	S	S	.	.	G	3₁₀ helix	trans	-73.2	-20.8	180	-79.3	-56	0	0	0	114.2	R841 C842 W847 E870	R841-H844 PolarHBondContact O-N 2.68Å; R841-H844 VanDerWaalsContact O-N 3.13Å; C842-H844 VanDerWaalsContact C-N 3.29Å; C842-H844 PolarHBondContact O-N 3.34Å; H844-W847 VanDerWaalsContact O-CD1 3.25Å; H844-W847 PolarHBondContact O-NE1 3.44Å; H844-E870 IonicContact CE1-OE2 2.79Å
845	T	70.7	Confident	73.7	Confident	6 Å²	6	72.5 Å²	72.5	4%	0.037	33%	0.328	C	S	.	.	T	Hydrogen-bonded Turn	trans	-126.9	-18	-166.5	57.6	0	0	0	0	113.6	F822 M839 C842 W843 W847 L848 Y849	F822-T845 HydrophobicContact CD2-CG2 3.2Å; F822-T845 HydrophobicContact CE2-CG2 3.48Å; F822-T845 VanDerWaalsContact CE2-CG2 3.48Å; F822-T845 HydrophobicContact CG-CG2 4.05Å; M839-T845 HydrophobicContact CE-CG2 4.09Å; M839-T845 HydrophobicContact SD-CG2 3.63Å; M839-T845 PolarHBondContact SD-OG1 3.04Å; C842-T845 PolarHBondContact O-N 3.47Å; W843-T845 VanDerWaalsContact C-N 3.33Å; W843-T845 PolarHBondContact O-N 3.03Å; T845-W847 PolarHBondContact O-N 2.89Å; T845-W847 VanDerWaalsContact O-N 3.14Å; T845-L848 WeakPolarHBondContact O-CB 3.47Å; T845-L848 PolarHBondContact O-N 2.92Å; T845-Y849 PolarHBondContact O-N 3.47Å
846	D	78.7	Confident	74.8	Confident	22 Å²	22	69 Å²	69	12%	0.118	31%	0.31	C	S	.	.	H	α-helix	trans	-51.3	-38.8	177.6	-79.6	0.8	0	0	0	112.9	K836 C842 L848 Y849 Y850 A862	K836-D846 WeakPolarHBondContact CE-OD1 3.29Å; K836-D846 IonicContact NZ-OD1 3.48Å; K836-D846 PolarHBondContact NZ-OD1 3.5Å; K836-D846 IonicContact NZ-OD2 3.29Å; K836-D846 PolarHBondContact NZ-OD2 2.95Å; C842-D846 PolarHBondContact O-N 3.09Å; D846-L848 VanDerWaalsContact C-N 3.28Å; D846-L848 PolarHBondContact O-N 3.19Å; D846-Y849 PolarHBondContact O-N 3.36Å; D846-Y850 HydrophobicContact CB-CD2 4.44Å; D846-Y850 HydrophobicContact CB-CE2 4.16Å; D846-Y850 WeakPolarHBondContact O-CD2 3.49Å; D846-Y850 PolarHBondContact O-N 3.1Å; D846-Y850 VanDerWaalsContact O-N 3.08Å; D846-A862 HydrophobicContact CB-CB 3.68Å
847	W	85.1	Confident	75.8	Confident	69 Å²	69	67.8 Å²	67.8	26%	0.261	31%	0.314	S	S	.	.	H	α-helix	trans	-62.6	-36.2	179.7	65.9	-91.1	0	0	0	112.3	H844 T845 W851 C859 A862 L863	H844-W847 VanDerWaalsContact O-CD1 3.25Å; H844-W847 PolarHBondContact O-NE1 3.44Å; T845-W847 PolarHBondContact O-N 2.89Å; T845-W847 VanDerWaalsContact O-N 3.14Å; W847-W851 WeakPolarHBondContact O-CB 3.41Å; W847-W851 PolarHBondContact O-N 3.15Å; W847-C859 PolarHBondContact O-SG 3.35Å; W847-A862 HydrophobicContact CB-CB 3.91Å; W847-L863 HydrophobicContact CB-CD1 4.49Å; W847-L863 HydrophobicContact CB-CD2 3.64Å; W847-L863 HydrophobicContact CB-CG 3.59Å; W847-L863 HydrophobicContact CD2-CD2 3.85Å; W847-L863 HydrophobicContact CE3-CD2 4.35Å; W847-L863 HydrophobicContact CG-CD2 3.51Å; W847-L863 HydrophobicContact CG-CG 4.06Å
848	L	82.5	Confident	76.9	Confident	21 Å²	21	70.8 Å²	70.8	11%	0.11	33%	0.329	C	S	.	.	H	α-helix	trans	-69.8	-40	179.3	-176.7	66.9	0	0	0	110.6	F822 E827 I830 T845 D846 W851 V852	F822-L848 HydrophobicContact CE2-CD2 4.46Å; F822-L848 HydrophobicContact CZ-CD2 3.85Å; E827-L848 HydrophobicContact CG-CD2 4.23Å; I830-L848 HydrophobicContact CD1-CD2 4.04Å; I830-L848 HydrophobicContact CG2-CB 4.44Å; I830-L848 HydrophobicContact CG2-CD2 4.28Å; I830-L848 HydrophobicContact CG2-CG 4.03Å; T845-L848 WeakPolarHBondContact O-CB 3.47Å; T845-L848 PolarHBondContact O-N 2.92Å; D846-L848 VanDerWaalsContact C-N 3.28Å; D846-L848 PolarHBondContact O-N 3.19Å; L848-W851 WeakPolarHBondContact O-CB 3.5Å; L848-W851 PolarHBondContact O-N 3.23Å; L848-V852 WeakPolarHBondContact O-CG2 3.5Å; L848-V852 PolarHBondContact O-N 3.05Å
849	Y	81.7	Confident	78.1	Confident	23 Å²	23	62.9 Å²	62.9	9%	0.09	29%	0.292	C	S	.	.	H	α-helix	trans	-60.4	-49.2	175.6	177.7	-92.9	0	0	0	112.3	I830 K836 T845 D846 W851 R853	I830-Y849 HydrophobicContact CG2-CD2 4.26Å; K836-Y849 HydrophobicContact CB-CE2 4.28Å; T845-Y849 PolarHBondContact O-N 3.47Å; D846-Y849 PolarHBondContact O-N 3.36Å; Y849-W851 VanDerWaalsContact C-N 3.32Å; Y849-W851 PolarHBondContact O-N 2.75Å; Y849-R853 PolarHBondContact O-N 2.84Å; Y849-R853 PolarHBondContact OH-NH1 3.2Å; Y849-R853 PolarHBondContact OH-NH2 3.42Å; Y849-R853 VanDerWaalsContact OH-NH2 3.13Å
850	Y	86.1	Confident	79.4	Confident	46 Å²	46	61.7 Å²	61.7	18%	0.18	29%	0.286	C	S	.	.	H	α-helix	trans	-69.1	-31.8	176.8	-64.2	-55.7	0	0	0	112.6	D846 R853 Q854 E855 L858 A862	D846-Y850 HydrophobicContact CB-CD2 4.44Å; D846-Y850 HydrophobicContact CB-CE2 4.16Å; D846-Y850 WeakPolarHBondContact O-CD2 3.49Å; D846-Y850 PolarHBondContact O-N 3.1Å; D846-Y850 VanDerWaalsContact O-N 3.08Å; Y850-R853 PolarHBondContact O-N 2.93Å; Y850-Q854 PolarHBondContact O-N 3.03Å; Y850-Q854 VanDerWaalsContact O-N 3.17Å; Y850-E855 HydrophobicContact CD1-CB 4.23Å; Y850-E855 VanDerWaalsContact CD1-OE2 3.31Å; Y850-E855 WeakPolarHBondContact CD1-OE2 3.39Å; Y850-E855 PolarHBondContact O-N 2.71Å; Y850-L858 HydrophobicContact CD1-CB 3.57Å; Y850-L858 HydrophobicContact CD1-CD1 3.92Å; Y850-L858 HydrophobicContact CD1-CG 4.4Å; Y850-L858 HydrophobicContact CD2-CB 3.79Å; Y850-L858 HydrophobicContact CE1-CB 3.82Å; Y850-L858 HydrophobicContact CE1-CD1 3.65Å; Y850-L858 HydrophobicContact CE1-CG 4.33Å; Y850-L858 HydrophobicContact CE2-CB 4.03Å; Y850-L858 HydrophobicContact CG-CB 3.57Å; Y850-A862 HydrophobicContact CD2-CB 4.14Å; Y850-A862 HydrophobicContact CE2-CB 4.45Å
851	W	86.2	Confident	80.8	Confident	113 Å²	113	61.5 Å²	61.5	43%	0.428	28%	0.279	S	S	.	.	H	α-helix	trans	-62	-50.4	175.6	173.9	-96.7	0	0	0	112	W847 L848 Y849 R853 Q854 Y856 V887 L890	W847-W851 WeakPolarHBondContact O-CB 3.41Å; W847-W851 PolarHBondContact O-N 3.15Å; L848-W851 WeakPolarHBondContact O-CB 3.5Å; L848-W851 PolarHBondContact O-N 3.23Å; Y849-W851 VanDerWaalsContact C-N 3.32Å; Y849-W851 PolarHBondContact O-N 2.75Å; W851-R853 PolarHBondContact O-N 3Å; W851-Q854 PolarHBondContact O-N 3.36Å; W851-Y856 HydrophobicContact CE3-CD1 4.28Å; W851-Y856 HydrophobicContact CE3-CE1 4.1Å; W851-Y856 HydrophobicContact CZ3-CD1 4.27Å; W851-Y856 AromaticContact CZ3-CE1 3.97Å; W851-Y856 HydrophobicContact CZ3-CE1 3.97Å; W851-V887 HydrophobicContact CE3-CG2 4.24Å; W851-V887 HydrophobicContact CZ3-CG2 4.1Å; W851-L890 HydrophobicContact CH2-CD1 3.95Å; W851-L890 HydrophobicContact CZ3-CD1 3.68Å
852	V	83.3	Confident	82	Confident	56 Å²	56	56.3 Å²	56.3	34%	0.339	26%	0.261	S	S	.	.	H	α-helix	trans	-61	-36.3	179.9	173.4	0	0	0	0	111.3	K831 L848 Q854	K831-V852 HydrophobicContact CG-CG2 4.13Å; L848-V852 WeakPolarHBondContact O-CG2 3.5Å; L848-V852 PolarHBondContact O-N 3.05Å; V852-Q854 VanDerWaalsContact C-N 3.27Å; V852-Q854 PolarHBondContact O-N 2.8Å
853	R	84	Confident	83.6	Confident	106 Å²	106	53.7 Å²	53.7	40%	0.4	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.3	2.5	177.4	-66.2	-173.8	175.9	-156.9	1.8	114.6	G833 R834 Y849 Y850 W851 E855	G833-R853 PolarHBondContact O-NH2 3.39Å; R834-R853 PolarHBondContact O-NH2 2.94Å; Y849-R853 PolarHBondContact O-N 2.84Å; Y849-R853 PolarHBondContact OH-NH1 3.2Å; Y849-R853 PolarHBondContact OH-NH2 3.42Å; Y849-R853 VanDerWaalsContact OH-NH2 3.13Å; Y850-R853 PolarHBondContact O-N 2.93Å; W851-R853 PolarHBondContact O-N 3Å; R853-E855 HydrophobicContact CB-CG 4.29Å; R853-E855 PolarHBondContact O-N 2.85Å
854	Q	84.3	Confident	84.7	Confident	140 Å²	140	51.8 Å²	51.8	65%	0.654	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.1	23.2	-178.3	-51.7	179.4	9.7	0	0	114.1	Y850 W851 V852 Y856	Y850-Q854 PolarHBondContact O-N 3.03Å; Y850-Q854 VanDerWaalsContact O-N 3.17Å; W851-Q854 PolarHBondContact O-N 3.36Å; V852-Q854 VanDerWaalsContact C-N 3.27Å; V852-Q854 PolarHBondContact O-N 2.8Å; Q854-Y856 VanDerWaalsContact C-N 3.31Å; Q854-Y856 HydrophobicContact CB-CE2 4.19Å; Q854-Y856 WeakPolarHBondContact O-CD2 3.1Å; Q854-Y856 PolarHBondContact O-N 2.8Å; Q854-Y856 VanDerWaalsContact O-N 3.12Å
855	E	87.3	Confident	85.7	Confident	81 Å²	81	51 Å²	51	38%	0.379	24%	0.235	S	C	.	.			trans	-88	67	177	-68	179.8	-175.5	0	0	110.3	Y850 R853 A857 L858 C859	Y850-E855 HydrophobicContact CD1-CB 4.23Å; Y850-E855 VanDerWaalsContact CD1-OE2 3.31Å; Y850-E855 WeakPolarHBondContact CD1-OE2 3.39Å; Y850-E855 PolarHBondContact O-N 2.71Å; R853-E855 HydrophobicContact CB-CG 4.29Å; R853-E855 PolarHBondContact O-N 2.85Å; E855-A857 VanDerWaalsContact C-N 3.27Å; E855-A857 PolarHBondContact O-N 3.13Å; E855-A857 VanDerWaalsContact O-N 3.15Å; E855-L858 HydrophobicContact CB-CB 4.45Å; E855-L858 HydrophobicContact CB-CD1 4.45Å; E855-L858 PolarHBondContact O-N 3.08Å; E855-L858 VanDerWaalsContact O-N 3.1Å; E855-L858 WeakPolarHBondContact OE2-CD1 3.48Å; E855-C859 PolarHBondContact O-N 2.99Å
856	Y	89.5	Confident	86.4	Confident	67 Å²	67	51.1 Å²	51.1	26%	0.263	24%	0.237	S	C	.	.	H	α-helix	trans	-59.4	-31.1	-169.7	-56.5	-62.6	0	0	0	114.8	W851 Q854 C859 L860 V887 L890	W851-Y856 HydrophobicContact CE3-CD1 4.28Å; W851-Y856 HydrophobicContact CE3-CE1 4.1Å; W851-Y856 HydrophobicContact CZ3-CD1 4.27Å; W851-Y856 AromaticContact CZ3-CE1 3.97Å; W851-Y856 HydrophobicContact CZ3-CE1 3.97Å; Q854-Y856 VanDerWaalsContact C-N 3.31Å; Q854-Y856 HydrophobicContact CB-CE2 4.19Å; Q854-Y856 WeakPolarHBondContact O-CD2 3.1Å; Q854-Y856 PolarHBondContact O-N 2.8Å; Q854-Y856 VanDerWaalsContact O-N 3.12Å; Y856-C859 PolarHBondContact O-N 3.32Å; Y856-L860 WeakPolarHBondContact O-CB 3.35Å; Y856-L860 PolarHBondContact O-N 2.77Å; Y856-V887 HydrophobicContact CD1-CG1 4.5Å; Y856-V887 WeakPolarHBondContact O-CG1 3.37Å; Y856-L890 HydrophobicContact CD1-CB 4.21Å; Y856-L890 HydrophobicContact CD1-CD1 3.94Å; Y856-L890 HydrophobicContact CD2-CB 4.22Å; Y856-L890 HydrophobicContact CE1-CD1 3.77Å; Y856-L890 HydrophobicContact CG-CB 4.06Å
857	A	87.7	Confident	86.8	Confident	52 Å²	52	50.1 Å²	50.1	43%	0.43	23%	0.232	S	C	.	.	H	α-helix	trans	-66	-41.6	177.4	0	0	0	0	0	112.3	E855 R861	E855-A857 VanDerWaalsContact C-N 3.27Å; E855-A857 PolarHBondContact O-N 3.13Å; E855-A857 VanDerWaalsContact O-N 3.15Å; A857-R861 PolarHBondContact O-N 2.69Å; A857-R861 VanDerWaalsContact O-N 3.16Å
858	L	88.1	Confident	86.7	Confident	71 Å²	71	51.2 Å²	51.2	37%	0.372	24%	0.24	S	C	.	.	H	α-helix	trans	-74.8	-34.6	176.3	-65.5	175.1	0	0	0	111.2	Y850 E855 R861 A862	Y850-L858 HydrophobicContact CD1-CB 3.57Å; Y850-L858 HydrophobicContact CD1-CD1 3.92Å; Y850-L858 HydrophobicContact CD1-CG 4.4Å; Y850-L858 HydrophobicContact CD2-CB 3.79Å; Y850-L858 HydrophobicContact CE1-CB 3.82Å; Y850-L858 HydrophobicContact CE1-CD1 3.65Å; Y850-L858 HydrophobicContact CE1-CG 4.33Å; Y850-L858 HydrophobicContact CE2-CB 4.03Å; Y850-L858 HydrophobicContact CG-CB 3.57Å; E855-L858 HydrophobicContact CB-CB 4.45Å; E855-L858 HydrophobicContact CB-CD1 4.45Å; E855-L858 PolarHBondContact O-N 3.08Å; E855-L858 VanDerWaalsContact O-N 3.1Å; E855-L858 WeakPolarHBondContact OE2-CD1 3.48Å; L858-R861 PolarHBondContact O-N 3.25Å; L858-A862 WeakPolarHBondContact O-CB 3.45Å; L858-A862 PolarHBondContact O-N 2.73Å
859	C	89.5	Confident	86.8	Confident	0 Å²	0	53.8 Å²	53.8	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-59.2	-46.8	171.4	-175	0	0	0	0	111.8	W847 E855 Y856 R861 A862 L863 V887	W847-C859 PolarHBondContact O-SG 3.35Å; E855-C859 PolarHBondContact O-N 2.99Å; Y856-C859 PolarHBondContact O-N 3.32Å; C859-R861 PolarHBondContact O-N 3.22Å; C859-A862 PolarHBondContact O-N 2.97Å; C859-L863 WeakPolarHBondContact O-CG 3.41Å; C859-L863 PolarHBondContact O-N 3.46Å; C859-V887 HydrophobicContact CB-CG1 4.09Å
860	L	90.5	Very high	86.9	Confident	1 Å²	1	53.3 Å²	53.3	1%	0.005	25%	0.252	C	S	.	.	H	α-helix	trans	-60	-45.8	175.3	174.9	61.5	0	0	0	111.5	Y856 A862 L863 L864 A884 V887 R888 I891 L898	Y856-L860 WeakPolarHBondContact O-CB 3.35Å; Y856-L860 PolarHBondContact O-N 2.77Å; L860-A862 VanDerWaalsContact C-N 3.32Å; L860-A862 PolarHBondContact O-N 3.43Å; L860-L863 PolarHBondContact O-N 3.49Å; L860-L864 HydrophobicContact CD1-CD1 4.2Å; L860-L864 HydrophobicContact CD1-CG 4.22Å; L860-L864 HydrophobicContact CG-CD1 4.16Å; L860-L864 WeakPolarHBondContact O-CG 3.33Å; L860-L864 PolarHBondContact O-N 3.31Å; L860-A884 HydrophobicContact CD1-CB 3.79Å; L860-A884 WeakPolarHBondContact CD1-O 3.47Å; L860-V887 HydrophobicContact CB-CG1 4.1Å; L860-R888 HydrophobicContact CD1-CB 4.34Å; L860-R888 HydrophobicContact CD2-CB 4.22Å; L860-I891 HydrophobicContact CB-CD1 3.81Å; L860-I891 HydrophobicContact CD2-CD1 3.51Å; L860-I891 HydrophobicContact CG-CD1 4.3Å; L860-L898 HydrophobicContact CD2-CB 4.07Å; L860-L898 HydrophobicContact CD2-CD1 4.21Å
861	R	90.1	Very high	86.6	Confident	146 Å²	146	55.8 Å²	55.8	55%	0.551	27%	0.272	S	S	*	.	H	α-helix	trans	-59.7	-43.6	176.9	-179.5	177	171.4	153.7	-2.4	111.6	A857 L858 C859 L864 V865 L898	A857-R861 PolarHBondContact O-N 2.69Å; A857-R861 VanDerWaalsContact O-N 3.16Å; L858-R861 PolarHBondContact O-N 3.25Å; C859-R861 PolarHBondContact O-N 3.22Å; R861-L864 PolarHBondContact O-N 3.12Å; R861-V865 VanDerWaalsContact O-CG2 3.29Å; R861-V865 WeakPolarHBondContact O-CG2 3.38Å; R861-V865 PolarHBondContact O-N 2.88Å; R861-L898 HydrophobicContact CB-CD2 4.05Å; R861-L898 HydrophobicContact CG-CD2 4.32Å
862	A	87.5	Confident	86.2	Confident	7 Å²	7	54 Å²	54	6%	0.058	27%	0.269	C	S	.	.	H	α-helix	trans	-64.2	-43.6	178	0	0	0	0	0	112.1	D846 W847 Y850 L858 C859 L860 L864 V865 A866	D846-A862 HydrophobicContact CB-CB 3.68Å; W847-A862 HydrophobicContact CB-CB 3.91Å; Y850-A862 HydrophobicContact CD2-CB 4.14Å; Y850-A862 HydrophobicContact CE2-CB 4.45Å; L858-A862 WeakPolarHBondContact O-CB 3.45Å; L858-A862 PolarHBondContact O-N 2.73Å; C859-A862 PolarHBondContact O-N 2.97Å; L860-A862 VanDerWaalsContact C-N 3.32Å; L860-A862 PolarHBondContact O-N 3.43Å; A862-L864 VanDerWaalsContact C-N 3.34Å; A862-L864 PolarHBondContact O-N 3.01Å; A862-V865 PolarHBondContact O-N 2.81Å; A862-A866 WeakPolarHBondContact O-CB 3.39Å; A862-A866 PolarHBondContact O-N 3.17Å
863	L	90.2	Very high	86.2	Confident	3 Å²	3	52.3 Å²	52.3	2%	0.016	26%	0.259	C	S	.	.	H	α-helix	trans	-63.7	-37.3	175.6	-72.7	169	0	0	0	112.7	W847 C859 L860 A866 A867 Q883 A884 V887	W847-L863 HydrophobicContact CB-CD1 4.49Å; W847-L863 HydrophobicContact CB-CD2 3.64Å; W847-L863 HydrophobicContact CB-CG 3.59Å; W847-L863 HydrophobicContact CD2-CD2 3.85Å; W847-L863 HydrophobicContact CE3-CD2 4.35Å; W847-L863 HydrophobicContact CG-CD2 3.51Å; W847-L863 HydrophobicContact CG-CG 4.06Å; C859-L863 WeakPolarHBondContact O-CG 3.41Å; C859-L863 PolarHBondContact O-N 3.46Å; L860-L863 PolarHBondContact O-N 3.49Å; L863-A866 PolarHBondContact O-N 3.38Å; L863-A867 WeakPolarHBondContact O-CB 3.41Å; L863-A867 PolarHBondContact O-N 3.24Å; L863-Q883 HydrophobicContact CD1-CB 4.05Å; L863-Q883 HydrophobicContact CD2-CB 4.26Å; L863-A884 HydrophobicContact CB-CB 3.95Å; L863-A884 HydrophobicContact CD1-CB 4.38Å; L863-V887 HydrophobicContact CD1-CB 4.33Å; L863-V887 HydrophobicContact CD1-CG2 3.72Å
864	L	89	Confident	86.1	Confident	0 Å²	0	47.9 Å²	47.9	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-67.2	-44.2	175	-72.7	173.4	0	0	0	111.7	L860 R861 A862 A866 A867 E868 A884 L898 R901 L902	L860-L864 HydrophobicContact CD1-CD1 4.2Å; L860-L864 HydrophobicContact CD1-CG 4.22Å; L860-L864 HydrophobicContact CG-CD1 4.16Å; L860-L864 WeakPolarHBondContact O-CG 3.33Å; L860-L864 PolarHBondContact O-N 3.31Å; R861-L864 PolarHBondContact O-N 3.12Å; A862-L864 VanDerWaalsContact C-N 3.34Å; A862-L864 PolarHBondContact O-N 3.01Å; L864-A866 PolarHBondContact O-N 2.89Å; L864-A867 PolarHBondContact O-N 2.9Å; L864-E868 WeakPolarHBondContact O-CB 3.5Å; L864-E868 VanDerWaalsContact O-CG 3.26Å; L864-E868 WeakPolarHBondContact O-CG 3.36Å; L864-E868 PolarHBondContact O-N 2.93Å; L864-A884 HydrophobicContact CD2-CB 4.47Å; L864-L898 HydrophobicContact CD1-CB 4.47Å; L864-L898 HydrophobicContact CD1-CD2 4.11Å; L864-R901 HydrophobicContact CD1-CB 4.04Å; L864-L902 HydrophobicContact CD2-CB 4.11Å; L864-L902 HydrophobicContact CD2-CD1 3.89Å
865	V	88	Confident	86.1	Confident	41 Å²	41	45.4 Å²	45.4	25%	0.248	23%	0.232	C	C	.	.	H	α-helix	trans	-61.1	-37.7	173.5	172.9	0	0	0	0	110.6	W843 R861 A862 E868 N869	W843-V865 HydrophobicContact CB-CG1 3.83Å; R861-V865 VanDerWaalsContact O-CG2 3.29Å; R861-V865 WeakPolarHBondContact O-CG2 3.38Å; R861-V865 PolarHBondContact O-N 2.88Å; A862-V865 PolarHBondContact O-N 2.81Å; V865-E868 PolarHBondContact O-N 3.07Å; V865-N869 WeakPolarHBondContact CG1-ND2 3.14Å; V865-N869 WeakPolarHBondContact O-CB 3.41Å; V865-N869 PolarHBondContact O-N 3.46Å; V865-N869 PolarHBondContact O-ND2 3.38Å
866	A	85.9	Confident	86	Confident	8 Å²	8	47.9 Å²	47.9	7%	0.066	24%	0.238	C	C	.	.	H	α-helix	trans	-65.7	-42.4	175.7	0	0	0	0	0	112.6	W843 A862 L863 L864 E870	W843-A866 VanDerWaalsContact CE3-CA 3.44Å; W843-A866 HydrophobicContact CE3-CB 3.74Å; W843-A866 HydrophobicContact CZ3-CB 4.22Å; W843-A866 WeakPolarHBondContact CZ3-O 3.32Å; W843-A866 WeakPolarHBondContact O-CB 3.38Å; A862-A866 WeakPolarHBondContact O-CB 3.39Å; A862-A866 PolarHBondContact O-N 3.17Å; L863-A866 PolarHBondContact O-N 3.38Å; L864-A866 PolarHBondContact O-N 2.89Å; A866-E870 WeakPolarHBondContact O-CB 3.33Å; A866-E870 PolarHBondContact O-N 2.79Å
867	A	86.1	Confident	85.8	Confident	2 Å²	2	45.2 Å²	45.2	2%	0.017	23%	0.227	C	C	.	.	H	α-helix	trans	-67.9	-35.9	175.4	0	0	0	0	0	112.5	L863 L864 Q877 A880	L863-A867 WeakPolarHBondContact O-CB 3.41Å; L863-A867 PolarHBondContact O-N 3.24Å; L864-A867 PolarHBondContact O-N 2.9Å; A867-Q877 HydrophobicContact CB-CG 4.31Å; A867-Q877 WeakPolarHBondContact O-CG 3.12Å; A867-Q877 PolarHBondContact O-NE2 3.06Å; A867-A880 HydrophobicContact CB-CB 4.18Å
868	E	84.1	Confident	85.9	Confident	92 Å²	92	48 Å²	48	43%	0.43	23%	0.227	S	C	.	.	H	α-helix	trans	-73.7	-33.3	179.4	-73.7	169.1	-167.3	0	0	113	L864 V865 R901	L864-E868 WeakPolarHBondContact O-CB 3.5Å; L864-E868 VanDerWaalsContact O-CG 3.26Å; L864-E868 WeakPolarHBondContact O-CG 3.36Å; L864-E868 PolarHBondContact O-N 2.93Å; V865-E868 PolarHBondContact O-N 3.07Å; E868-R901 IonicContact OE1-CZ 3.4Å; E868-R901 VanDerWaalsContact OE1-CZ 3.32Å; E868-R901 IonicContact OE1-NE 3.37Å; E868-R901 PolarHBondContact OE1-NE 3.34Å; E868-R901 IonicContact OE1-NH2 3.29Å; E868-R901 PolarHBondContact OE1-NH2 3.44Å; E868-R901 IonicContact OE2-CZ 3.6Å; E868-R901 IonicContact OE2-NE 2.62Å; E868-R901 IonicContact OE2-NH2 2.96Å; E868-R901 PolarHBondContact OE2-NH2 3.32Å
869	N	83.5	Confident	85.9	Confident	75 Å²	75	47.8 Å²	47.8	40%	0.401	23%	0.228	S	C	.	.	H	α-helix	trans	-91.6	-4.1	179.9	-69.9	-24.6	0	0	0	114	W843 V865 T871	W843-N869 HydrophobicContact CD2-CB 3.96Å; W843-N869 HydrophobicContact CE3-CB 4.37Å; W843-N869 HydrophobicContact CG-CB 4.32Å; W843-N869 HydrophobicContact CH2-CB 4.26Å; W843-N869 HydrophobicContact CZ2-CB 3.95Å; W843-N869 HydrophobicContact CZ3-CB 4.46Å; V865-N869 WeakPolarHBondContact CG1-ND2 3.14Å; V865-N869 WeakPolarHBondContact O-CB 3.41Å; V865-N869 PolarHBondContact O-N 3.46Å; V865-N869 PolarHBondContact O-ND2 3.38Å; N869-T871 PolarHBondContact O-N 2.87Å
870	E	83.3	Confident	85.8	Confident	12 Å²	12	48.4 Å²	48.4	6%	0.056	23%	0.233	C	C	.	.			trans	-72	114.8	177.7	-178.4	58.8	-117	0	0	110.3	W843 H844 A866 E872 S873 R876 Q877 P932	W843-E870 HydrophobicContact CH2-CB 4.45Å; H844-E870 IonicContact CE1-OE2 2.79Å; A866-E870 WeakPolarHBondContact O-CB 3.33Å; A866-E870 PolarHBondContact O-N 2.79Å; E870-E872 WeakPolarHBondContact OE1-CA 3.48Å; E870-E872 WeakPolarHBondContact OE1-CB 3.46Å; E870-E872 PolarHBondContact OE1-N 2.81Å; E870-S873 WeakPolarHBondContact CG-O 3.36Å; E870-S873 PolarHBondContact OE1-N 3.16Å; E870-S873 VanDerWaalsContact OE1-N 3.07Å; E870-R876 HydrophobicContact CG-CB 4Å; E870-Q877 HydrophobicContact CB-CB 4.23Å; E870-Q877 HydrophobicContact CG-CB 4.04Å; E870-P932 HydrophobicContact CG-CG 4.33Å; E870-P932 WeakPolarHBondContact O-CB 3.25Å; E870-P932 WeakPolarHBondContact O-CG 3.39Å
871	T	79.6	Confident	85.7	Confident	98 Å²	98	48.8 Å²	48.8	60%	0.601	24%	0.236	S	C	*	.			trans	-117.9	-6.4	-178.9	59	0	0	0	0	113.3	N869	N869-T871 PolarHBondContact O-N 2.87Å
872	E	79.6	Confident	85.7	Confident	77 Å²	77	44.2 Å²	44.2	36%	0.36	23%	0.226	S	C	.	.	S	Bend	trans	-98.4	-37.1	-172	-62	175.5	-173.2	0	0	111.7	R841 E870 R876	R841-E872 IonicContact CZ-OE1 3.53Å; R841-E872 IonicContact NH1-OE1 2.77Å; R841-E872 PolarHBondContact NH1-OE1 2.8Å; R841-E872 IonicContact NH1-OE2 3.82Å; R841-E872 IonicContact NH2-OE1 2.63Å; R841-E872 PolarHBondContact NH2-OE1 2.83Å; E870-E872 WeakPolarHBondContact OE1-CA 3.48Å; E870-E872 WeakPolarHBondContact OE1-CB 3.46Å; E870-E872 PolarHBondContact OE1-N 2.81Å; E872-R876 IonicContact OE2-NH1 2.73Å; E872-R876 PolarHBondContact OE2-NH1 2.65Å
873	S	82.6	Confident	85.9	Confident	19 Å²	19	47 Å²	47	13%	0.133	24%	0.238	C	C	.	.			trans	-143.6	122.5	-174.1	179.9	0	0	0	0	114.4	E870 E875 R876 Q877	E870-S873 WeakPolarHBondContact CG-O 3.36Å; E870-S873 PolarHBondContact OE1-N 3.16Å; E870-S873 VanDerWaalsContact OE1-N 3.07Å; S873-E875 VanDerWaalsContact C-N 3.28Å; S873-E875 PolarHBondContact O-N 3.4Å; S873-E875 PolarHBondContact OG-N 3.49Å; S873-R876 PolarHBondContact O-N 2.76Å; S873-R876 PolarHBondContact OG-N 2.9Å; S873-Q877 PolarHBondContact O-N 2.91Å; S873-Q877 VanDerWaalsContact O-N 3.15Å
874	L	82.8	Confident	85.9	Confident	13 Å²	13	46.9 Å²	46.9	7%	0.068	24%	0.237	C	C	.	.	H	α-helix	trans	-58.9	-38.8	172	179.6	57.3	0	0	0	112.6	R876 Q877 R878 V909 Q912 V913 E930	L874-R876 PolarHBondContact O-N 2.79Å; L874-Q877 PolarHBondContact O-N 3.48Å; L874-R878 WeakPolarHBondContact O-CB 3.23Å; L874-R878 PolarHBondContact O-N 3.13Å; L874-V909 HydrophobicContact CD1-CG1 4.45Å; L874-Q912 HydrophobicContact CD1-CB 4Å; L874-Q912 HydrophobicContact CD2-CB 4.29Å; L874-V913 HydrophobicContact CD2-CG2 4.49Å; L874-E930 HydrophobicContact CB-CB 4.46Å; L874-E930 WeakPolarHBondContact CB-O 3.4Å; L874-E930 HydrophobicContact CD2-CB 4.44Å; L874-E930 PolarHBondContact N-O 2.66Å
875	E	83.2	Confident	86	Confident	89 Å²	89	50.9 Å²	50.9	42%	0.416	26%	0.256	S	S	.	.	H	α-helix	trans	-63.7	-40.5	178.9	-74.2	-64.8	153.1	0	0	111.6	S873 R878 V879	S873-E875 VanDerWaalsContact C-N 3.28Å; S873-E875 PolarHBondContact O-N 3.4Å; S873-E875 PolarHBondContact OG-N 3.49Å; E875-R878 PolarHBondContact O-N 3.48Å; E875-R878 IonicContact OE1-CZ 2.83Å; E875-R878 VanDerWaalsContact OE1-CZ 3.29Å; E875-R878 IonicContact OE1-NH1 3.42Å; E875-R878 PolarHBondContact OE1-NH1 3.38Å; E875-R878 IonicContact OE1-NH2 3.56Å; E875-R878 PolarHBondContact OE1-NH2 2.97Å; E875-R878 IonicContact OE2-CZ 3.68Å; E875-R878 IonicContact OE2-NE 3.44Å; E875-R878 IonicContact OE2-NH1 2.71Å; E875-R878 PolarHBondContact OE2-NH1 3.29Å; E875-R878 IonicContact OE2-NH2 2.64Å; E875-R878 PolarHBondContact OE2-NH2 2.62Å; E875-V879 VanDerWaalsContact O-CG2 3.3Å; E875-V879 WeakPolarHBondContact O-CG2 3.48Å; E875-V879 PolarHBondContact O-N 3.18Å
876	R	84.6	Confident	86.2	Confident	132 Å²	132	54 Å²	54	50%	0.498	27%	0.27	S	S	.	.	H	α-helix	trans	-64.1	-44.1	174.4	-70.8	-177.2	-176.6	163.6	0.9	111.8	E870 E872 S873 L874 R878 V879 A880	E870-R876 HydrophobicContact CG-CB 4Å; E872-R876 IonicContact OE2-NH1 2.73Å; E872-R876 PolarHBondContact OE2-NH1 2.65Å; S873-R876 PolarHBondContact O-N 2.76Å; S873-R876 PolarHBondContact OG-N 2.9Å; L874-R876 PolarHBondContact O-N 2.79Å; R876-R878 VanDerWaalsContact C-N 3.28Å; R876-R878 PolarHBondContact O-N 2.99Å; R876-V879 PolarHBondContact O-N 2.77Å; R876-A880 WeakPolarHBondContact O-CB 3.29Å; R876-A880 PolarHBondContact O-N 2.97Å
877	Q	86.6	Confident	86.3	Confident	11 Å²	11	54 Å²	54	5%	0.051	27%	0.269	C	S	.	.	H	α-helix	trans	-58.5	-43.3	176	-172.8	176.8	46.5	0	0	111.1	A867 E870 S873 L874 L881 V909	A867-Q877 HydrophobicContact CB-CG 4.31Å; A867-Q877 WeakPolarHBondContact O-CG 3.12Å; A867-Q877 PolarHBondContact O-NE2 3.06Å; E870-Q877 HydrophobicContact CB-CB 4.23Å; E870-Q877 HydrophobicContact CG-CB 4.04Å; S873-Q877 PolarHBondContact O-N 2.91Å; S873-Q877 VanDerWaalsContact O-N 3.15Å; L874-Q877 PolarHBondContact O-N 3.48Å; Q877-L881 WeakPolarHBondContact O-CB 3.34Å; Q877-L881 PolarHBondContact O-N 2.98Å; Q877-V909 HydrophobicContact CG-CG2 3.84Å
878	R	88.8	Confident	86.5	Confident	111 Å²	111	56.6 Å²	56.6	42%	0.419	28%	0.279	S	S	.	.	H	α-helix	trans	-64.4	-43.4	176.6	-168.3	179.4	79.3	-157.9	2.2	112.4	L874 E875 R876 L881 S882 V909	L874-R878 WeakPolarHBondContact O-CB 3.23Å; L874-R878 PolarHBondContact O-N 3.13Å; E875-R878 PolarHBondContact O-N 3.48Å; E875-R878 IonicContact OE1-CZ 2.83Å; E875-R878 VanDerWaalsContact OE1-CZ 3.29Å; E875-R878 IonicContact OE1-NH1 3.42Å; E875-R878 PolarHBondContact OE1-NH1 3.38Å; E875-R878 IonicContact OE1-NH2 3.56Å; E875-R878 PolarHBondContact OE1-NH2 2.97Å; E875-R878 IonicContact OE2-CZ 3.68Å; E875-R878 IonicContact OE2-NE 3.44Å; E875-R878 IonicContact OE2-NH1 2.71Å; E875-R878 PolarHBondContact OE2-NH1 3.29Å; E875-R878 IonicContact OE2-NH2 2.64Å; E875-R878 PolarHBondContact OE2-NH2 2.62Å; R876-R878 VanDerWaalsContact C-N 3.28Å; R876-R878 PolarHBondContact O-N 2.99Å; R878-L881 PolarHBondContact O-N 2.91Å; R878-S882 PolarHBondContact O-N 2.79Å; R878-V909 HydrophobicContact CB-CG1 4.29Å; R878-V909 HydrophobicContact CG-CG1 4.3Å
879	V	88.3	Confident	86.8	Confident	66 Å²	66	62.1 Å²	62.1	40%	0.4	30%	0.296	S	S	.	.	H	α-helix	trans	-63.2	-48.9	177.5	171.2	0	0	0	0	110.5	E875 R876 L881 S882 Q883	E875-V879 VanDerWaalsContact O-CG2 3.3Å; E875-V879 WeakPolarHBondContact O-CG2 3.48Å; E875-V879 PolarHBondContact O-N 3.18Å; R876-V879 PolarHBondContact O-N 2.77Å; V879-L881 PolarHBondContact O-N 3.24Å; V879-S882 PolarHBondContact O-N 3.07Å; V879-S882 VanDerWaalsContact O-N 3.11Å; V879-S882 PolarHBondContact O-OG 3.08Å; V879-Q883 WeakPolarHBondContact O-CG 2.96Å; V879-Q883 PolarHBondContact O-N 3.43Å
880	A	88.3	Confident	87	Confident	13 Å²	13	62.4 Å²	62.4	11%	0.107	30%	0.297	C	S	.	.	H	α-helix	trans	-56.9	-40.7	177.1	0	0	0	0	0	111.6	A867 R876 Q883 A884	A867-A880 HydrophobicContact CB-CB 4.18Å; R876-A880 WeakPolarHBondContact O-CB 3.29Å; R876-A880 PolarHBondContact O-N 2.97Å; A880-Q883 PolarHBondContact O-N 3.27Å; A880-A884 WeakPolarHBondContact O-CB 3.15Å; A880-A884 PolarHBondContact O-N 2.77Å
881	L	88.6	Confident	87.2	Confident	10 Å²	10	62.9 Å²	62.9	5%	0.052	30%	0.3	C	S	.	.	H	α-helix	trans	-68.1	-40.8	176.6	-171.8	70.2	0	0	0	113	Q877 R878 V879 Q883 A884 Q885 L902 A905 Q906 V909	Q877-L881 WeakPolarHBondContact O-CB 3.34Å; Q877-L881 PolarHBondContact O-N 2.98Å; R878-L881 PolarHBondContact O-N 2.91Å; V879-L881 PolarHBondContact O-N 3.24Å; L881-Q883 VanDerWaalsContact C-N 3.28Å; L881-Q883 PolarHBondContact O-N 2.81Å; L881-A884 WeakPolarHBondContact O-CB 3.13Å; L881-A884 PolarHBondContact O-N 3.41Å; L881-Q885 WeakPolarHBondContact O-CG 3.21Å; L881-Q885 PolarHBondContact O-N 3.48Å; L881-L902 HydrophobicContact CD1-CD1 3.66Å; L881-A905 HydrophobicContact CD1-CB 3.7Å; L881-Q906 HydrophobicContact CD1-CG 4.1Å; L881-Q906 HydrophobicContact CD2-CB 4.3Å; L881-Q906 HydrophobicContact CD2-CG 3.76Å; L881-Q906 HydrophobicContact CG-CG 4.13Å; L881-V909 HydrophobicContact CD2-CB 4.13Å; L881-V909 HydrophobicContact CD2-CG2 4.06Å
882	S	89.1	Confident	87.3	Confident	49 Å²	49	64.8 Å²	64.8	34%	0.343	31%	0.311	S	S	.	.	H	α-helix	trans	-63.3	-37.2	175.6	74.5	0	0	0	0	111.6	R878 V879 Q885 L886	R878-S882 PolarHBondContact O-N 2.79Å; V879-S882 PolarHBondContact O-N 3.07Å; V879-S882 VanDerWaalsContact O-N 3.11Å; V879-S882 PolarHBondContact O-OG 3.08Å; S882-Q885 WeakPolarHBondContact O-CB 2.71Å; S882-Q885 PolarHBondContact O-N 3.34Å; S882-L886 WeakPolarHBondContact O-CG 3.31Å; S882-L886 PolarHBondContact O-N 3.29Å
883	Q	91.6	Very high	87.4	Confident	67 Å²	67	70 Å²	70	31%	0.313	33%	0.333	S	S	.	.	H	α-helix	trans	-67.6	-42.3	172.7	-68.9	172.5	-17.9	0	0	111.1	L863 V879 A880 L881 Q885 L886 V887	L863-Q883 HydrophobicContact CD1-CB 4.05Å; L863-Q883 HydrophobicContact CD2-CB 4.26Å; V879-Q883 WeakPolarHBondContact O-CG 2.96Å; V879-Q883 PolarHBondContact O-N 3.43Å; A880-Q883 PolarHBondContact O-N 3.27Å; L881-Q883 VanDerWaalsContact C-N 3.28Å; L881-Q883 PolarHBondContact O-N 2.81Å; Q883-Q885 VanDerWaalsContact C-N 3.27Å; Q883-Q885 PolarHBondContact O-N 2.9Å; Q883-L886 WeakPolarHBondContact O-CB 3.25Å; Q883-L886 PolarHBondContact O-N 3.18Å; Q883-V887 WeakPolarHBondContact O-CG2 3.37Å; Q883-V887 PolarHBondContact O-N 3.48Å
884	A	90.3	Very high	87	Confident	0 Å²	0	72 Å²	72	0%	0	35%	0.345	C	S	.	.	H	α-helix	trans	-58	-40.5	175.4	0	0	0	0	0	111.5	L860 L863 L864 A880 L881 L886 V887 R888 L902	L860-A884 HydrophobicContact CD1-CB 3.79Å; L860-A884 WeakPolarHBondContact CD1-O 3.47Å; L863-A884 HydrophobicContact CB-CB 3.95Å; L863-A884 HydrophobicContact CD1-CB 4.38Å; L864-A884 HydrophobicContact CD2-CB 4.47Å; A880-A884 WeakPolarHBondContact O-CB 3.15Å; A880-A884 PolarHBondContact O-N 2.77Å; L881-A884 WeakPolarHBondContact O-CB 3.13Å; L881-A884 PolarHBondContact O-N 3.41Å; A884-L886 VanDerWaalsContact C-N 3.35Å; A884-L886 PolarHBondContact O-N 3.47Å; A884-V887 PolarHBondContact O-N 2.87Å; A884-R888 VanDerWaalsContact O-CB 3.26Å; A884-R888 WeakPolarHBondContact O-CB 3.46Å; A884-R888 PolarHBondContact O-N 3.48Å; A884-L902 HydrophobicContact CB-CD1 3.94Å
885	Q	90.7	Very high	87	Confident	83 Å²	83	75.7 Å²	75.7	39%	0.388	37%	0.365	S	S	.	.	H	α-helix	trans	-61.6	-40.5	174.1	-72.1	174.2	-15.1	0	0	112.7	L881 S882 Q883 R889 L902 Q906	L881-Q885 WeakPolarHBondContact O-CG 3.21Å; L881-Q885 PolarHBondContact O-N 3.48Å; S882-Q885 WeakPolarHBondContact O-CB 2.71Å; S882-Q885 PolarHBondContact O-N 3.34Å; Q883-Q885 VanDerWaalsContact C-N 3.27Å; Q883-Q885 PolarHBondContact O-N 2.9Å; Q885-R889 PolarHBondContact O-N 3.46Å; Q885-L902 HydrophobicContact CG-CD1 4.33Å; Q885-Q906 VanDerWaalsContact CG-NE2 3.34Å
886	L	91.7	Very high	87	Confident	107 Å²	107	78 Å²	78	56%	0.56	38%	0.376	S	S	*	.	H	α-helix	trans	-67.6	-47.2	177.3	-67.9	172	0	0	0	111.2	S882 Q883 A884 R888 R889	S882-L886 WeakPolarHBondContact O-CG 3.31Å; S882-L886 PolarHBondContact O-N 3.29Å; Q883-L886 WeakPolarHBondContact O-CB 3.25Å; Q883-L886 PolarHBondContact O-N 3.18Å; A884-L886 VanDerWaalsContact C-N 3.35Å; A884-L886 PolarHBondContact O-N 3.47Å; L886-R888 VanDerWaalsContact C-N 3.28Å; L886-R888 PolarHBondContact O-N 2.7Å; L886-R889 WeakPolarHBondContact O-CB 3.37Å; L886-R889 PolarHBondContact O-N 3.41Å; L886-R889 VanDerWaalsContact O-N 3.13Å
887	V	89.8	Confident	87	Confident	7 Å²	7	76 Å²	76	4%	0.042	37%	0.372	C	S	.	.	H	α-helix	trans	-61.6	-38.5	177.7	176.2	0	0	0	0	111	W851 Y856 C859 L860 L863 Q883 A884 R889 L890	W851-V887 HydrophobicContact CE3-CG2 4.24Å; W851-V887 HydrophobicContact CZ3-CG2 4.1Å; Y856-V887 HydrophobicContact CD1-CG1 4.5Å; Y856-V887 WeakPolarHBondContact O-CG1 3.37Å; C859-V887 HydrophobicContact CB-CG1 4.09Å; L860-V887 HydrophobicContact CB-CG1 4.1Å; L863-V887 HydrophobicContact CD1-CB 4.33Å; L863-V887 HydrophobicContact CD1-CG2 3.72Å; Q883-V887 WeakPolarHBondContact O-CG2 3.37Å; Q883-V887 PolarHBondContact O-N 3.48Å; A884-V887 PolarHBondContact O-N 2.87Å; V887-R889 PolarHBondContact O-N 3.42Å; V887-L890 WeakPolarHBondContact O-CB 2.93Å; V887-L890 PolarHBondContact O-N 3.13Å
888	R	90.2	Very high	86.9	Confident	58 Å²	58	76.3 Å²	76.3	22%	0.219	37%	0.374	C	S	.	.	H	α-helix	trans	-58.1	-30.8	176.8	176.2	56	-175.4	75.5	12	113.4	L860 A884 L886 L890 I891 D899 L902	L860-R888 HydrophobicContact CD1-CB 4.34Å; L860-R888 HydrophobicContact CD2-CB 4.22Å; A884-R888 VanDerWaalsContact O-CB 3.26Å; A884-R888 WeakPolarHBondContact O-CB 3.46Å; A884-R888 PolarHBondContact O-N 3.48Å; L886-R888 VanDerWaalsContact C-N 3.28Å; L886-R888 PolarHBondContact O-N 2.7Å; R888-L890 VanDerWaalsContact C-N 3.27Å; R888-L890 PolarHBondContact O-N 3.39Å; R888-I891 PolarHBondContact O-N 2.8Å; R888-D899 WeakPolarHBondContact CD-OD1 3.46Å; R888-D899 IonicContact CZ-OD1 3.65Å; R888-D899 IonicContact CZ-OD2 3.21Å; R888-D899 VanDerWaalsContact NE-CG 3.34Å; R888-D899 IonicContact NE-OD1 3.28Å; R888-D899 PolarHBondContact NE-OD1 3.02Å; R888-D899 IonicContact NE-OD2 3.36Å; R888-D899 PolarHBondContact NE-OD2 2.79Å; R888-D899 IonicContact NH2-OD1 2.68Å; R888-D899 PolarHBondContact NH2-OD1 3.08Å; R888-D899 IonicContact NH2-OD2 3Å; R888-D899 PolarHBondContact NH2-OD2 2.95Å; R888-L902 HydrophobicContact CB-CD2 4.02Å; R888-L902 HydrophobicContact CG-CD2 3.92Å
889	R	89.6	Confident	86.8	Confident	207 Å²	207	72.6 Å²	72.6	78%	0.781	36%	0.362	S	S	*	.	H	α-helix	trans	-70.9	-22	175.7	-66.5	178.7	179.6	-177.4	0.7	113.1	Q885 L886 V887	Q885-R889 PolarHBondContact O-N 3.46Å; L886-R889 WeakPolarHBondContact O-CB 3.37Å; L886-R889 PolarHBondContact O-N 3.41Å; L886-R889 VanDerWaalsContact O-N 3.13Å; V887-R889 PolarHBondContact O-N 3.42Å
890	L	88.7	Confident	86.7	Confident	82 Å²	82	75.7 Å²	75.7	43%	0.429	37%	0.367	S	S	.	.	H	α-helix	trans	-84.3	-14.2	178.4	-56.9	175.2	0	0	0	112.5	W851 Y856 V887 R888	W851-L890 HydrophobicContact CH2-CD1 3.95Å; W851-L890 HydrophobicContact CZ3-CD1 3.68Å; Y856-L890 HydrophobicContact CD1-CB 4.21Å; Y856-L890 HydrophobicContact CD1-CD1 3.94Å; Y856-L890 HydrophobicContact CD2-CB 4.22Å; Y856-L890 HydrophobicContact CE1-CD1 3.77Å; Y856-L890 HydrophobicContact CG-CB 4.06Å; V887-L890 WeakPolarHBondContact O-CB 2.93Å; V887-L890 PolarHBondContact O-N 3.13Å; R888-L890 VanDerWaalsContact C-N 3.27Å; R888-L890 PolarHBondContact O-N 3.39Å
891	I	87	Confident	86.6	Confident	22 Å²	22	77.6 Å²	77.6	11%	0.113	37%	0.372	C	S	.	.			trans	-84.8	117.4	-179.3	-59.7	170.3	0	0	0	109.9	L860 R888 K893	L860-I891 HydrophobicContact CB-CD1 3.81Å; L860-I891 HydrophobicContact CD2-CD1 3.51Å; L860-I891 HydrophobicContact CG-CD1 4.3Å; R888-I891 PolarHBondContact O-N 2.8Å; I891-K893 VanDerWaalsContact CG2-O 3.26Å; I891-K893 WeakPolarHBondContact CG2-O 3.46Å
892	T	81.9	Confident	86.5	Confident	138 Å²	138	77.6 Å²	77.6	85%	0.847	37%	0.372	S	S	*	.	S	Bend	trans	-77.2	-32.1	-179.7	53.1	0	0	0	0	113.7
893	K	81.4	Confident	86.5	Confident	186 Å²	186	81.4 Å²	81.4	81%	0.809	38%	0.382	S	S	*	.	S	Bend	trans	-118	93.5	175.4	-70.6	-175	-179.3	179.7	0	109.6	I891	I891-K893 VanDerWaalsContact CG2-O 3.26Å; I891-K893 WeakPolarHBondContact CG2-O 3.46Å
894	P	72.9	Confident	86.2	Confident	61 Å²	61	78.7 Å²	78.7	40%	0.396	37%	0.371	S	S	.	.			trans	-74.2	135.4	-178.6	30.4	-34.5	0	0	0	111.9
895	D	83.3	Confident	86	Confident	90 Å²	90	79.3 Å²	79.3	48%	0.481	38%	0.376	S	S	.	.			trans	-76.2	121.6	167.1	-174.5	-12.8	0	0	0	108.4	E897 L898 D899	D895-E897 PolarHBondContact O-N 3.18Å; D895-E897 WeakPolarHBondContact OD1-CB 3.31Å; D895-E897 PolarHBondContact OD1-N 3.48Å; D895-L898 HydrophobicContact CB-CB 4.13Å; D895-L898 HydrophobicContact CB-CD1 3.92Å; D895-L898 HydrophobicContact CB-CG 3.93Å; D895-L898 PolarHBondContact O-N 3.13Å; D895-D899 PolarHBondContact O-N 2.63Å
896	E	84	Confident	85.9	Confident	138 Å²	138	78.4 Å²	78.4	65%	0.645	37%	0.372	S	S	*	.	H	α-helix	trans	-57	-32.3	179.3	-69.1	-166.2	169	0	0	112.1	D899 R900	E896-D899 PolarHBondContact O-N 3.04Å; E896-R900 WeakPolarHBondContact O-CG 3.48Å; E896-R900 PolarHBondContact O-N 3.42Å; E896-R900 IonicContact OE2-NH2 2.68Å
897	E	84.4	Confident	85.7	Confident	91 Å²	91	75.7 Å²	75.7	43%	0.425	36%	0.355	S	S	.	.	H	α-helix	trans	-72	-41	-179.8	-175.3	56.2	-156.5	0	0	111.6	D895 D899 R900 R901	D895-E897 PolarHBondContact O-N 3.18Å; D895-E897 WeakPolarHBondContact OD1-CB 3.31Å; D895-E897 PolarHBondContact OD1-N 3.48Å; E897-D899 VanDerWaalsContact C-N 3.28Å; E897-D899 PolarHBondContact O-N 3Å; E897-R900 PolarHBondContact O-N 3.2Å; E897-R900 IonicContact OE2-CZ 3.86Å; E897-R900 IonicContact OE2-NH1 3.33Å; E897-R900 PolarHBondContact OE2-NH1 3.12Å; E897-R901 WeakPolarHBondContact O-CG 3.46Å; E897-R901 PolarHBondContact O-N 3.5Å
898	L	84.4	Confident	85.5	Confident	17 Å²	17	76.2 Å²	76.2	9%	0.089	36%	0.358	C	S	.	.	H	α-helix	trans	-65	-35.4	174.1	-66.5	178.2	0	0	0	111.4	L860 R861 L864 D895 R901 L902	L860-L898 HydrophobicContact CD2-CB 4.07Å; L860-L898 HydrophobicContact CD2-CD1 4.21Å; R861-L898 HydrophobicContact CB-CD2 4.05Å; R861-L898 HydrophobicContact CG-CD2 4.32Å; L864-L898 HydrophobicContact CD1-CB 4.47Å; L864-L898 HydrophobicContact CD1-CD2 4.11Å; D895-L898 HydrophobicContact CB-CB 4.13Å; D895-L898 HydrophobicContact CB-CD1 3.92Å; D895-L898 HydrophobicContact CB-CG 3.93Å; D895-L898 PolarHBondContact O-N 3.13Å; L898-R901 PolarHBondContact O-N 3.04Å; L898-L902 VanDerWaalsContact O-CB 3.31Å; L898-L902 WeakPolarHBondContact O-CB 3.19Å; L898-L902 PolarHBondContact O-N 2.94Å
899	D	86.2	Confident	85.2	Confident	32 Å²	32	73.9 Å²	73.9	17%	0.171	35%	0.35	C	S	.	.	H	α-helix	trans	-67.5	-39.8	174.6	-89.8	-27	0	0	0	113.2	R888 D895 E896 E897 L902 K903	R888-D899 WeakPolarHBondContact CD-OD1 3.46Å; R888-D899 IonicContact CZ-OD1 3.65Å; R888-D899 IonicContact CZ-OD2 3.21Å; R888-D899 VanDerWaalsContact NE-CG 3.34Å; R888-D899 IonicContact NE-OD1 3.28Å; R888-D899 PolarHBondContact NE-OD1 3.02Å; R888-D899 IonicContact NE-OD2 3.36Å; R888-D899 PolarHBondContact NE-OD2 2.79Å; R888-D899 IonicContact NH2-OD1 2.68Å; R888-D899 PolarHBondContact NH2-OD1 3.08Å; R888-D899 IonicContact NH2-OD2 3Å; R888-D899 PolarHBondContact NH2-OD2 2.95Å; D895-D899 PolarHBondContact O-N 2.63Å; E896-D899 PolarHBondContact O-N 3.04Å; E897-D899 VanDerWaalsContact C-N 3.28Å; E897-D899 PolarHBondContact O-N 3Å; D899-L902 PolarHBondContact O-N 3.36Å; D899-K903 WeakPolarHBondContact O-CG 3.45Å; D899-K903 PolarHBondContact O-N 3.27Å
900	R	85.6	Confident	85	Confident	131 Å²	131	66 Å²	66	49%	0.494	33%	0.333	S	S	.	.	H	α-helix	trans	-61.8	-47.2	172.4	-76.2	-175.5	-132.1	146.9	-5.5	110.8	E896 E897 L902 K903 A904	E896-R900 WeakPolarHBondContact O-CG 3.48Å; E896-R900 PolarHBondContact O-N 3.42Å; E896-R900 IonicContact OE2-NH2 2.68Å; E897-R900 PolarHBondContact O-N 3.2Å; E897-R900 IonicContact OE2-CZ 3.86Å; E897-R900 IonicContact OE2-NH1 3.33Å; E897-R900 PolarHBondContact OE2-NH1 3.12Å; R900-L902 VanDerWaalsContact C-N 3.34Å; R900-L902 PolarHBondContact O-N 2.94Å; R900-K903 PolarHBondContact O-N 2.83Å; R900-A904 VanDerWaalsContact O-CB 3.27Å; R900-A904 WeakPolarHBondContact O-CB 3.5Å; R900-A904 PolarHBondContact O-N 3.35Å
901	R	86.5	Confident	84.7	Confident	54 Å²	54	62.5 Å²	62.5	20%	0.204	32%	0.316	C	S	.	.	H	α-helix	trans	-61.1	-39.9	176.3	-73.9	179.5	66.1	-175.3	1.4	112.9	L864 E868 E897 L898 A904 A905	L864-R901 HydrophobicContact CD1-CB 4.04Å; E868-R901 IonicContact OE1-CZ 3.4Å; E868-R901 VanDerWaalsContact OE1-CZ 3.32Å; E868-R901 IonicContact OE1-NE 3.37Å; E868-R901 PolarHBondContact OE1-NE 3.34Å; E868-R901 IonicContact OE1-NH2 3.29Å; E868-R901 PolarHBondContact OE1-NH2 3.44Å; E868-R901 IonicContact OE2-CZ 3.6Å; E868-R901 IonicContact OE2-NE 2.62Å; E868-R901 IonicContact OE2-NH2 2.96Å; E868-R901 PolarHBondContact OE2-NH2 3.32Å; E897-R901 WeakPolarHBondContact O-CG 3.46Å; E897-R901 PolarHBondContact O-N 3.5Å; L898-R901 PolarHBondContact O-N 3.04Å; R901-A904 WeakPolarHBondContact O-CB 3.31Å; R901-A904 PolarHBondContact O-N 3.03Å; R901-A905 WeakPolarHBondContact O-CB 3.37Å; R901-A905 PolarHBondContact O-N 3.08Å
902	L	87.5	Confident	84.6	Confident	10 Å²	10	61.8 Å²	61.8	5%	0.052	31%	0.312	C	S	.	.	H	α-helix	trans	-64.5	-44.8	176	179.9	63.2	0	0	0	111.9	L864 L881 A884 Q885 R888 L898 D899 R900 A904 A905 Q906	L864-L902 HydrophobicContact CD2-CB 4.11Å; L864-L902 HydrophobicContact CD2-CD1 3.89Å; L881-L902 HydrophobicContact CD1-CD1 3.66Å; A884-L902 HydrophobicContact CB-CD1 3.94Å; Q885-L902 HydrophobicContact CG-CD1 4.33Å; R888-L902 HydrophobicContact CB-CD2 4.02Å; R888-L902 HydrophobicContact CG-CD2 3.92Å; L898-L902 VanDerWaalsContact O-CB 3.31Å; L898-L902 WeakPolarHBondContact O-CB 3.19Å; L898-L902 PolarHBondContact O-N 2.94Å; D899-L902 PolarHBondContact O-N 3.36Å; R900-L902 VanDerWaalsContact C-N 3.34Å; R900-L902 PolarHBondContact O-N 2.94Å; L902-A904 VanDerWaalsContact C-N 3.33Å; L902-A905 PolarHBondContact O-N 3.04Å; L902-Q906 WeakPolarHBondContact O-CB 3.46Å; L902-Q906 WeakPolarHBondContact O-CG 3.41Å; L902-Q906 PolarHBondContact O-N 3.07Å
903	K	88.1	Confident	84.7	Confident	128 Å²	128	57.4 Å²	57.4	56%	0.557	29%	0.285	S	S	*	.	H	α-helix	trans	-63.8	-39.7	174.9	-72.7	172	-177.3	174.8	0	111.9	D899 R900 Q906 F907 L966	D899-K903 WeakPolarHBondContact O-CG 3.45Å; D899-K903 PolarHBondContact O-N 3.27Å; R900-K903 PolarHBondContact O-N 2.83Å; K903-Q906 PolarHBondContact O-N 2.95Å; K903-F907 PolarHBondContact O-N 2.77Å; K903-L966 HydrophobicContact CB-CD2 4.35Å
904	A	86.2	Confident	84.7	Confident	10 Å²	10	53 Å²	53	8%	0.083	27%	0.266	C	S	.	.	H	α-helix	trans	-58.7	-53.7	175	0	0	0	0	0	112.1	R900 R901 L902 Q906 F907 L908 L966 I968	R900-A904 VanDerWaalsContact O-CB 3.27Å; R900-A904 WeakPolarHBondContact O-CB 3.5Å; R900-A904 PolarHBondContact O-N 3.35Å; R901-A904 WeakPolarHBondContact O-CB 3.31Å; R901-A904 PolarHBondContact O-N 3.03Å; L902-A904 VanDerWaalsContact C-N 3.33Å; A904-Q906 VanDerWaalsContact C-N 3.3Å; A904-Q906 PolarHBondContact O-N 3.36Å; A904-F907 PolarHBondContact O-N 3.15Å; A904-L908 PolarHBondContact O-N 3.14Å; A904-L966 HydrophobicContact CB-CB 4.2Å; A904-I968 HydrophobicContact CB-CD1 3.38Å; A904-I968 HydrophobicContact CB-CG1 3.54Å; A904-I968 VanDerWaalsContact O-CD1 3.31Å; A904-I968 WeakPolarHBondContact O-CD1 3.36Å
905	A	86.5	Confident	84.9	Confident	13 Å²	13	50.2 Å²	50.2	11%	0.107	25%	0.248	C	C	.	.	H	α-helix	trans	-62.1	-37.5	177.8	0	0	0	0	0	112.2	L881 R901 L902 L908 V909	L881-A905 HydrophobicContact CD1-CB 3.7Å; R901-A905 WeakPolarHBondContact O-CB 3.37Å; R901-A905 PolarHBondContact O-N 3.08Å; L902-A905 PolarHBondContact O-N 3.04Å; A905-L908 PolarHBondContact O-N 3.22Å; A905-V909 WeakPolarHBondContact O-CG2 3.02Å; A905-V909 PolarHBondContact O-N 3.39Å
906	Q	88.6	Confident	84.5	Confident	65 Å²	65	46.1 Å²	46.1	30%	0.304	23%	0.226	S	C	.	.	H	α-helix	trans	-61.4	-45.4	173.8	-75.9	167.5	10.4	0	0	113.3	L881 Q885 L902 K903 A904 G910	L881-Q906 HydrophobicContact CD1-CG 4.1Å; L881-Q906 HydrophobicContact CD2-CB 4.3Å; L881-Q906 HydrophobicContact CD2-CG 3.76Å; L881-Q906 HydrophobicContact CG-CG 4.13Å; Q885-Q906 VanDerWaalsContact CG-NE2 3.34Å; L902-Q906 WeakPolarHBondContact O-CB 3.46Å; L902-Q906 WeakPolarHBondContact O-CG 3.41Å; L902-Q906 PolarHBondContact O-N 3.07Å; K903-Q906 PolarHBondContact O-N 2.95Å; A904-Q906 VanDerWaalsContact C-N 3.3Å; A904-Q906 PolarHBondContact O-N 3.36Å; Q906-G910 PolarHBondContact O-N 3.32Å
907	F	86.5	Confident	84.2	Confident	49 Å²	49	43.9 Å²	43.9	22%	0.215	22%	0.219	C	C	.	.	H	α-helix	trans	-62.3	-46.7	178	-176.6	-105	0	0	0	110.8	K903 A904 V909 G910 C911 T959 R962 M963 L966	K903-F907 PolarHBondContact O-N 2.77Å; A904-F907 PolarHBondContact O-N 3.15Å; F907-V909 PolarHBondContact O-N 3.22Å; F907-G910 PolarHBondContact O-N 3.03Å; F907-C911 PolarHBondContact O-N 3.19Å; F907-C911 PolarHBondContact O-SG 3.22Å; F907-C911 VanDerWaalsContact O-SG 3.35Å; F907-T959 HydrophobicContact CE1-CG2 4.08Å; F907-T959 HydrophobicContact CZ-CG2 4.23Å; F907-R962 HydrophobicContact CD1-CG 4.14Å; F907-R962 HydrophobicContact CD2-CG 4.01Å; F907-R962 HydrophobicContact CE1-CB 3.8Å; F907-R962 HydrophobicContact CE1-CG 3.72Å; F907-R962 HydrophobicContact CE2-CB 4.21Å; F907-R962 HydrophobicContact CE2-CG 3.58Å; F907-R962 HydrophobicContact CG-CG 4.28Å; F907-R962 HydrophobicContact CZ-CB 3.57Å; F907-R962 HydrophobicContact CZ-CG 3.42Å; F907-R962 VanDerWaalsContact CZ-CG 3.42Å; F907-M963 HydrophobicContact CD1-CG 4.12Å; F907-M963 HydrophobicContact CE1-CE 4.39Å; F907-M963 HydrophobicContact CE1-CG 3.84Å; F907-L966 HydrophobicContact CB-CD1 3.59Å; F907-L966 HydrophobicContact CD1-CD1 3.85Å; F907-L966 HydrophobicContact CG-CD1 3.74Å
908	L	85.4	Confident	83.5	Confident	19 Å²	19	41.1 Å²	41.1	10%	0.099	21%	0.208	C	C	.	.	H	α-helix	trans	-59.8	-49.5	179.6	-176.2	66.7	0	0	0	112.4	A904 A905 G910 C911 Q912 P935 V938 M963	A904-L908 PolarHBondContact O-N 3.14Å; A905-L908 PolarHBondContact O-N 3.22Å; L908-G910 VanDerWaalsContact C-N 3.28Å; L908-G910 PolarHBondContact O-N 3.43Å; L908-C911 PolarHBondContact O-N 2.98Å; L908-Q912 WeakPolarHBondContact O-CG 3.37Å; L908-Q912 PolarHBondContact O-N 3.34Å; L908-Q912 VanDerWaalsContact O-N 3.08Å; L908-P935 HydrophobicContact CD1-CB 4.33Å; L908-P935 HydrophobicContact CD1-CG 4.14Å; L908-P935 HydrophobicContact CD2-CG 4.28Å; L908-V938 HydrophobicContact CD1-CG2 3.94Å; L908-M963 HydrophobicContact CD1-CE 3.66Å
909	V	84.8	Confident	82.7	Confident	8 Å²	8	44.2 Å²	44.2	5%	0.048	22%	0.222	C	C	.	.	H	α-helix	trans	-63.7	-36.8	177.1	173.9	0	0	0	0	110.9	L874 Q877 R878 L881 A905 F907 Q912 V913	L874-V909 HydrophobicContact CD1-CG1 4.45Å; Q877-V909 HydrophobicContact CG-CG2 3.84Å; R878-V909 HydrophobicContact CB-CG1 4.29Å; R878-V909 HydrophobicContact CG-CG1 4.3Å; L881-V909 HydrophobicContact CD2-CB 4.13Å; L881-V909 HydrophobicContact CD2-CG2 4.06Å; A905-V909 WeakPolarHBondContact O-CG2 3.02Å; A905-V909 PolarHBondContact O-N 3.39Å; F907-V909 PolarHBondContact O-N 3.22Å; V909-Q912 PolarHBondContact O-N 3.14Å; V909-V913 HydrophobicContact CG1-CG2 4.32Å; V909-V913 WeakPolarHBondContact O-CG2 3.35Å; V909-V913 PolarHBondContact O-N 3.17Å
910	G	84.6	Confident	81.4	Confident	42 Å²	42	50.3 Å²	50.3	43%	0.433	24%	0.243	S	C	.	.	H	α-helix	trans	-58.5	-46.9	174.4	0	0	0	0	0	112.9	Q906 F907 L908 V913 F914	Q906-G910 PolarHBondContact O-N 3.32Å; F907-G910 PolarHBondContact O-N 3.03Å; L908-G910 VanDerWaalsContact C-N 3.28Å; L908-G910 PolarHBondContact O-N 3.43Å; G910-V913 PolarHBondContact O-N 2.9Å; G910-F914 PolarHBondContact O-N 3.34Å; G910-F914 VanDerWaalsContact O-N 3.08Å
911	C	83.7	Confident	80.1	Confident	9 Å²	9	49 Å²	49	6%	0.061	25%	0.253	C	S	.	.	H	α-helix	trans	-62.3	-42.1	175.2	-64.7	0	0	0	0	112.1	F907 L908 F914 L915 V938 Y942	F907-C911 PolarHBondContact O-N 3.19Å; F907-C911 PolarHBondContact O-SG 3.22Å; F907-C911 VanDerWaalsContact O-SG 3.35Å; L908-C911 PolarHBondContact O-N 2.98Å; C911-F914 WeakPolarHBondContact O-CB 3.5Å; C911-F914 PolarHBondContact O-N 3.11Å; C911-L915 WeakPolarHBondContact O-CG 3.42Å; C911-L915 PolarHBondContact O-N 3.36Å; C911-V938 HydrophobicContact CB-CG1 3.77Å; C911-Y942 HydrophobicContact CB-CE2 4.32Å
912	Q	84.5	Confident	78.5	Confident	6 Å²	6	50.2 Å²	50.2	3%	0.028	28%	0.275	C	S	.	.	H	α-helix	trans	-65.1	-41.7	179.5	-69.7	175.6	20.6	0	0	112.4	L874 L908 V909 F914 L915 G916 L933 V938	L874-Q912 HydrophobicContact CD1-CB 4Å; L874-Q912 HydrophobicContact CD2-CB 4.29Å; L908-Q912 WeakPolarHBondContact O-CG 3.37Å; L908-Q912 PolarHBondContact O-N 3.34Å; L908-Q912 VanDerWaalsContact O-N 3.08Å; V909-Q912 PolarHBondContact O-N 3.14Å; Q912-F914 VanDerWaalsContact C-N 3.32Å; Q912-F914 PolarHBondContact O-N 3.17Å; Q912-L915 PolarHBondContact O-N 3.37Å; Q912-G916 PolarHBondContact O-N 3Å; Q912-L933 HydrophobicContact CG-CB 4.22Å; Q912-L933 PolarHBondContact NE2-O 3.35Å; Q912-V938 HydrophobicContact CG-CG2 3.77Å
913	V	82.9	Confident	76.7	Confident	47 Å²	47	53.5 Å²	53.5	29%	0.285	30%	0.299	S	S	.	.	H	α-helix	trans	-64.2	-39	175.2	171.3	0	0	0	0	111.2	L874 V909 G910 G916 N917	L874-V913 HydrophobicContact CD2-CG2 4.49Å; V909-V913 HydrophobicContact CG1-CG2 4.32Å; V909-V913 WeakPolarHBondContact O-CG2 3.35Å; V909-V913 PolarHBondContact O-N 3.17Å; G910-V913 PolarHBondContact O-N 2.9Å; V913-G916 PolarHBondContact O-N 3.09Å; V913-N917 VanDerWaalsContact O-CG 3.31Å; V913-N917 PolarHBondContact O-N 2.84Å; V913-N917 PolarHBondContact O-ND2 3.49Å
914	F	81.9	Confident	74.7	Confident	94 Å²	94	56.8 Å²	56.8	41%	0.412	32%	0.317	S	S	.	.	H	α-helix	trans	-61.8	-49.6	174.5	-179.8	-94.6	0	0	0	111.5	G910 C911 Q912 G916 N917 V918 Y942 F952	G910-F914 PolarHBondContact O-N 3.34Å; G910-F914 VanDerWaalsContact O-N 3.08Å; C911-F914 WeakPolarHBondContact O-CB 3.5Å; C911-F914 PolarHBondContact O-N 3.11Å; Q912-F914 VanDerWaalsContact C-N 3.32Å; Q912-F914 PolarHBondContact O-N 3.17Å; F914-G916 VanDerWaalsContact C-N 3.35Å; F914-G916 PolarHBondContact O-N 3.47Å; F914-N917 PolarHBondContact O-N 3.17Å; F914-V918 HydrophobicContact CD1-CG2 4.21Å; F914-V918 HydrophobicContact CE1-CG2 3.86Å; F914-V918 HydrophobicContact CZ-CG2 4.05Å; F914-V918 WeakPolarHBondContact O-CG2 3.26Å; F914-V918 PolarHBondContact O-N 2.72Å; F914-Y942 AromaticContact CD1-CE1 3.86Å; F914-Y942 HydrophobicContact CD1-CE1 3.86Å; F914-Y942 WeakPolarHBondContact CD1-OH 3.3Å; F914-Y942 AromaticContact CE1-CE1 3.91Å; F914-Y942 HydrophobicContact CE1-CE1 3.91Å; F914-F952 HydrophobicContact CE1-CE1 4.05Å
915	L	78.2	Confident	72.5	Confident	2 Å²	2	61.9 Å²	61.9	1%	0.01	35%	0.347	C	S	.	.	H	α-helix	trans	-57.7	-44.4	176.1	-75.3	171.4	0	0	0	112.3	C911 Q912 N917 V918 Q919 L933 V938 K941 Y942 I945	C911-L915 WeakPolarHBondContact O-CG 3.42Å; C911-L915 PolarHBondContact O-N 3.36Å; Q912-L915 PolarHBondContact O-N 3.37Å; L915-N917 VanDerWaalsContact C-N 3.34Å; L915-N917 PolarHBondContact O-N 2.85Å; L915-V918 PolarHBondContact O-N 2.89Å; L915-Q919 WeakPolarHBondContact O-CG 3.37Å; L915-Q919 PolarHBondContact O-N 3.1Å; L915-L933 HydrophobicContact CD1-CD1 4.08Å; L915-V938 HydrophobicContact CD1-CB 4.35Å; L915-V938 HydrophobicContact CD1-CG1 3.87Å; L915-V938 HydrophobicContact CD1-CG2 4.47Å; L915-K941 HydrophobicContact CD1-CB 4.06Å; L915-K941 HydrophobicContact CD1-CG 4.41Å; L915-K941 HydrophobicContact CD2-CB 4.39Å; L915-K941 HydrophobicContact CD2-CG 4.29Å; L915-Y942 HydrophobicContact CD1-CD2 4.21Å; L915-Y942 HydrophobicContact CD1-CE2 3.98Å; L915-Y942 HydrophobicContact CD2-CD1 3.66Å; L915-Y942 HydrophobicContact CD2-CD2 4.2Å; L915-Y942 HydrophobicContact CD2-CE1 3.66Å; L915-Y942 HydrophobicContact CD2-CE2 4.15Å; L915-Y942 HydrophobicContact CD2-CG 3.96Å; L915-Y942 HydrophobicContact CG-CD2 4.46Å; L915-Y942 HydrophobicContact CG-CE1 4.15Å; L915-Y942 HydrophobicContact CG-CE2 4.03Å; L915-I945 HydrophobicContact CD2-CD1 3.59Å
916	G	75.2	Confident	70.2	Confident	3 Å²	3	69 Å²	69	3%	0.031	38%	0.378	C	S	.	.	H	α-helix	trans	-60.9	-40.2	177	0	0	0	0	0	112.8	Q912 V913 F914 Q919 R920	Q912-G916 PolarHBondContact O-N 3Å; V913-G916 PolarHBondContact O-N 3.09Å; F914-G916 VanDerWaalsContact C-N 3.35Å; F914-G916 PolarHBondContact O-N 3.47Å; G916-Q919 PolarHBondContact O-N 2.6Å; G916-R920 WeakPolarHBondContact O-CG 3.46Å; G916-R920 PolarHBondContact O-N 3.42Å
917	N	76.2	Confident	68.1	Low	92 Å²	92	75.4 Å²	75.4	49%	0.492	41%	0.408	S	S	.	.	H	α-helix	trans	-65.9	-39.7	175.5	-72.1	-26.9	0	0	0	112.7	V913 F914 L915 R920 S921	V913-N917 VanDerWaalsContact O-CG 3.31Å; V913-N917 PolarHBondContact O-N 2.84Å; V913-N917 PolarHBondContact O-ND2 3.49Å; F914-N917 PolarHBondContact O-N 3.17Å; L915-N917 VanDerWaalsContact C-N 3.34Å; L915-N917 PolarHBondContact O-N 2.85Å; N917-R920 PolarHBondContact O-N 3.44Å; N917-S921 PolarHBondContact O-N 2.94Å
918	V	70.6	Confident	65.8	Low	32 Å²	32	80.3 Å²	80.3	19%	0.194	43%	0.431	C	S	.	.	H	α-helix	trans	-63.4	-43.1	176.2	174.7	0	0	0	0	110.6	F914 L915 S921 A922 I945 F952	F914-V918 HydrophobicContact CD1-CG2 4.21Å; F914-V918 HydrophobicContact CE1-CG2 3.86Å; F914-V918 HydrophobicContact CZ-CG2 4.05Å; F914-V918 WeakPolarHBondContact O-CG2 3.26Å; F914-V918 PolarHBondContact O-N 2.72Å; L915-V918 PolarHBondContact O-N 2.89Å; V918-S921 PolarHBondContact O-N 3.16Å; V918-S921 PolarHBondContact O-OG 2.86Å; V918-A922 PolarHBondContact O-N 2.83Å; V918-I945 HydrophobicContact CG1-CD1 4.23Å; V918-I945 HydrophobicContact CG1-CG2 4.49Å; V918-F952 HydrophobicContact CG1-CZ 4.17Å; V918-F952 HydrophobicContact CG2-CZ 4.49Å
919	Q	66.6	Low	64.2	Low	82 Å²	82	83.6 Å²	83.6	38%	0.383	46%	0.456	S	S	.	.	H	α-helix	trans	-66.4	-39	177.9	-69.6	-171.8	-53.9	0	0	113.5	L915 G916 S921 A922 S923	L915-Q919 WeakPolarHBondContact O-CG 3.37Å; L915-Q919 PolarHBondContact O-N 3.1Å; G916-Q919 PolarHBondContact O-N 2.6Å; Q919-S921 PolarHBondContact O-N 3.42Å; Q919-A922 CarbonylContact O-C 3.52Å; Q919-A922 WeakPolarHBondContact O-CA 3.49Å; Q919-A922 PolarHBondContact O-N 3.48Å; Q919-S923 PolarHBondContact O-N 3.09Å
920	R	60.5	Low	63.5	Low	160 Å²	160	86 Å²	86	60%	0.604	47%	0.466	S	S	*	.	H	α-helix	trans	-63.1	-30.2	175.9	-73.9	178.4	-164.9	179	6	112.8	G916 N917 A922 E930	G916-R920 WeakPolarHBondContact O-CG 3.46Å; G916-R920 PolarHBondContact O-N 3.42Å; N917-R920 PolarHBondContact O-N 3.44Å; R920-A922 VanDerWaalsContact C-N 3.26Å; R920-A922 PolarHBondContact O-N 3.15Å; R920-E930 IonicContact CZ-OE1 3.36Å; R920-E930 IonicContact NE-OE1 3.61Å; R920-E930 PolarHBondContact NE-OE1 3.22Å; R920-E930 IonicContact NH2-OE1 3.86Å; R920-E930 PolarHBondContact NH2-OE1 3.37Å
921	S	57	Low	63.2	Low	103 Å²	103	91.6 Å²	91.6	72%	0.72	48%	0.479	S	S	*	.	H	α-helix	trans	-71	-20.9	171.3	63.8	0	0	0	0	113.7	N917 V918 Q919	N917-S921 PolarHBondContact O-N 2.94Å; V918-S921 PolarHBondContact O-N 3.16Å; V918-S921 PolarHBondContact O-OG 2.86Å; Q919-S921 PolarHBondContact O-N 3.42Å
922	A	53.3	Low	63.1	Low	80 Å²	80	92.1 Å²	92.1	66%	0.661	48%	0.482	S	S	*	.	H	α-helix	trans	-99.8	-19	-176.6	0	0	0	0	0	114.4	V918 Q919 R920	V918-A922 PolarHBondContact O-N 2.83Å; Q919-A922 CarbonylContact O-C 3.52Å; Q919-A922 WeakPolarHBondContact O-CA 3.49Å; Q919-A922 PolarHBondContact O-N 3.48Å; R920-A922 VanDerWaalsContact C-N 3.26Å; R920-A922 PolarHBondContact O-N 3.15Å
923	S	50.5	Low	63	Low	80 Å²	80	94.9 Å²	94.9	56%	0.559	50%	0.497	S	S	*	.			trans	-146.1	108.7	-177.6	-69	0	0	0	0	112.4	Q919 T925	Q919-S923 PolarHBondContact O-N 3.09Å; S923-T925 PolarHBondContact O-N 3.49Å
924	E	44.9	Very low	63	Low	197 Å²	197	96.7 Å²	96.7	92%	0.921	51%	0.508	S	S	*	.			trans	-74.1	66.4	170.4	-68.2	-176.8	159.9	0	0	111
925	T	41.1	Very low	63	Low	117 Å²	117	93.6 Å²	93.6	72%	0.718	50%	0.497	S	S	*	.			trans	-153.5	116.8	168.1	30.7	0	0	0	0	114.6	S923	S923-T925 PolarHBondContact O-N 3.49Å
926	Q	37	Very low	63.1	Low	163 Å²	163	96.5 Å²	96.5	76%	0.762	51%	0.511	S	S	*	.			trans	66.2	124.8	148.6	-64.5	-172.2	-14.6	0	0	121.4	H928	Q926-H928 VanDerWaalsContact C-N 3.26Å; Q926-H928 PolarHBondContact O-N 2.96Å
927	E	44.4	Very low	63.4	Low	198 Å²	198	97 Å²	97	93%	0.925	52%	0.515	S	S	*	.			trans	-64	62.5	175.9	-61.3	174.7	143.6	0	0	113.6
928	H	39.5	Very low	63.8	Low	152 Å²	152	92.6 Å²	92.6	70%	0.704	49%	0.492	S	S	*	.			trans	-90.1	119.6	163.7	-72.3	-0.3	0	0	0	108.6	Q926 E930	Q926-H928 VanDerWaalsContact C-N 3.26Å; Q926-H928 PolarHBondContact O-N 2.96Å; H928-E930 PolarHBondContact O-N 2.74Å
929	S	50.6	Low	64.3	Low	88 Å²	88	91.1 Å²	91.1	62%	0.615	48%	0.483	S	S	*	.			trans	-42.8	109	176.5	54.4	0	0	0	0	110.3	K931	S929-K931 PolarHBondContact O-N 2.84Å
930	E	69.9	Low	65.1	Low	59 Å²	59	91.9 Å²	91.9	28%	0.276	49%	0.487	S	S	.	.	P	Polyproline II helix	trans	-59.7	123.3	-179.5	-71.8	165.8	-145.5	0	0	108.6	L874 R920 H928	L874-E930 HydrophobicContact CB-CB 4.46Å; L874-E930 WeakPolarHBondContact CB-O 3.4Å; L874-E930 HydrophobicContact CD2-CB 4.44Å; L874-E930 PolarHBondContact N-O 2.66Å; R920-E930 IonicContact CZ-OE1 3.36Å; R920-E930 IonicContact NE-OE1 3.61Å; R920-E930 PolarHBondContact NE-OE1 3.22Å; R920-E930 IonicContact NH2-OE1 3.86Å; R920-E930 PolarHBondContact NH2-OE1 3.37Å; H928-E930 PolarHBondContact O-N 2.74Å
931	K	79.5	Confident	66.1	Low	160 Å²	160	86.8 Å²	86.8	70%	0.696	47%	0.469	S	S	*	.	P	Polyproline II helix	trans	-70.7	135.9	176.4	-70	-178	-179.4	178.7	0	108.8	S929 L933	S929-K931 PolarHBondContact O-N 2.84Å; K931-L933 PolarHBondContact O-N 3.18Å
932	P	81.7	Confident	67.3	Low	20 Å²	20	82 Å²	82	13%	0.13	44%	0.435	C	S	.	.	P	Polyproline II helix	trans	-51.9	128	170.1	-26.6	35.6	0	0	0	110.9	E870	E870-P932 HydrophobicContact CG-CG 4.33Å; E870-P932 WeakPolarHBondContact O-CB 3.25Å; E870-P932 WeakPolarHBondContact O-CG 3.39Å
933	L	82.1	Confident	68.5	Low	64 Å²	64	78.8 Å²	78.8	34%	0.335	41%	0.407	S	S	.	.	P	Polyproline II helix	trans	-84.7	142	177.4	-68	170.5	0	0	0	110.1	Q912 L915 K931 V938 K941	Q912-L933 HydrophobicContact CG-CB 4.22Å; Q912-L933 PolarHBondContact NE2-O 3.35Å; L915-L933 HydrophobicContact CD1-CD1 4.08Å; K931-L933 PolarHBondContact O-N 3.18Å; L933-V938 HydrophobicContact CB-CG2 3.67Å; L933-V938 HydrophobicContact CD1-CG2 4.26Å; L933-K941 HydrophobicContact CD1-CB 4.5Å
934	T	82.9	Confident	69.9	Low	85 Å²	85	79.7 Å²	79.7	52%	0.521	40%	0.402	S	S	.	.	P	Polyproline II helix	trans	-64.3	157.4	166.8	62.9	0	0	0	0	109.6	Q936 G937 V938	T934-Q936 PolarHBondContact O-N 3.35Å; T934-Q936 VanDerWaalsContact O-N 3.15Å; T934-G937 CarbonylContact O-C 3.53Å; T934-G937 WeakPolarHBondContact O-CA 3.13Å; T934-G937 PolarHBondContact O-N 3.28Å; T934-G937 PolarHBondContact OG1-N 2.85Å; T934-V938 PolarHBondContact O-N 3.03Å
935	P	80.7	Confident	71.5	Confident	29 Å²	29	71.6 Å²	71.6	19%	0.188	36%	0.364	C	S	.	.	H	α-helix	trans	-50.4	-39	173.1	-28	34.5	0	0	0	112.8	L908 V938 V939 M963 I968 F969	L908-P935 HydrophobicContact CD1-CB 4.33Å; L908-P935 HydrophobicContact CD1-CG 4.14Å; L908-P935 HydrophobicContact CD2-CG 4.28Å; P935-V938 PolarHBondContact O-N 2.88Å; P935-V939 PolarHBondContact O-N 2.84Å; P935-M963 HydrophobicContact CB-SD 3.84Å; P935-I968 HydrophobicContact CB-CG2 4.27Å; P935-I968 HydrophobicContact CG-CG2 3.55Å; P935-F969 HydrophobicContact CB-CD2 3.75Å; P935-F969 HydrophobicContact CB-CE2 4.09Å
936	Q	81.3	Confident	73.1	Confident	63 Å²	63	66 Å²	66	29%	0.294	33%	0.33	S	S	.	.	H	α-helix	trans	-66.8	-44.3	175	-70	172.2	-19.7	0	0	111.9	T934 V938 V939 Q940 F969 E971 V975	T934-Q936 PolarHBondContact O-N 3.35Å; T934-Q936 VanDerWaalsContact O-N 3.15Å; Q936-V938 VanDerWaalsContact C-N 3.28Å; Q936-V938 PolarHBondContact O-N 2.93Å; Q936-V939 PolarHBondContact O-N 2.8Å; Q936-Q940 WeakPolarHBondContact O-CG 3.49Å; Q936-Q940 PolarHBondContact O-N 3.02Å; Q936-F969 HydrophobicContact CB-CE2 4.35Å; Q936-F969 HydrophobicContact CG-CE2 3.77Å; Q936-F969 HydrophobicContact CG-CZ 4.07Å; Q936-E971 PolarHBondContact NE2-O 3.48Å; Q936-E971 VanDerWaalsContact NE2-O 3.09Å; Q936-V975 HydrophobicContact CG-CG2 4.33Å
937	G	81.9	Confident	74.8	Confident	12 Å²	12	62.6 Å²	62.6	12%	0.124	32%	0.317	C	S	.	.	H	α-helix	trans	-62.2	-33.9	176.8	0	0	0	0	0	113	T934 K941	T934-G937 CarbonylContact O-C 3.53Å; T934-G937 WeakPolarHBondContact O-CA 3.13Å; T934-G937 PolarHBondContact O-N 3.28Å; T934-G937 PolarHBondContact OG1-N 2.85Å; G937-K941 VanDerWaalsContact O-CB 3.3Å; G937-K941 WeakPolarHBondContact O-CB 3.36Å; G937-K941 PolarHBondContact O-N 2.92Å
938	V	83.5	Confident	76.1	Confident	0 Å²	0	60.6 Å²	60.6	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-62.4	-50.6	173.6	171	0	0	0	0	110.6	L908 C911 Q912 L915 L933 T934 P935 Q936 K941 Y942 T959 M963	L908-V938 HydrophobicContact CD1-CG2 3.94Å; C911-V938 HydrophobicContact CB-CG1 3.77Å; Q912-V938 HydrophobicContact CG-CG2 3.77Å; L915-V938 HydrophobicContact CD1-CB 4.35Å; L915-V938 HydrophobicContact CD1-CG1 3.87Å; L915-V938 HydrophobicContact CD1-CG2 4.47Å; L933-V938 HydrophobicContact CB-CG2 3.67Å; L933-V938 HydrophobicContact CD1-CG2 4.26Å; T934-V938 PolarHBondContact O-N 3.03Å; P935-V938 PolarHBondContact O-N 2.88Å; Q936-V938 VanDerWaalsContact C-N 3.28Å; Q936-V938 PolarHBondContact O-N 2.93Å; V938-K941 PolarHBondContact O-N 3.41Å; V938-Y942 HydrophobicContact CG1-CD2 3.8Å; V938-Y942 HydrophobicContact CG1-CE2 3.55Å; V938-Y942 WeakPolarHBondContact O-CD2 3.46Å; V938-Y942 PolarHBondContact O-N 3.37Å; V938-T959 HydrophobicContact CG1-CG2 4.26Å; V938-M963 HydrophobicContact CB-CE 4.02Å; V938-M963 HydrophobicContact CG1-CE 3.74Å
939	V	82	Confident	77.9	Confident	1 Å²	1	56.9 Å²	56.9	1%	0.006	30%	0.298	C	S	.	.	H	α-helix	trans	-63	-45	178.6	179.2	0	0	0	0	110.8	P935 Q936 K941 Y942 M943 A956 A960 M963 F969 V975	P935-V939 PolarHBondContact O-N 2.84Å; Q936-V939 PolarHBondContact O-N 2.8Å; V939-K941 VanDerWaalsContact C-N 3.28Å; V939-K941 PolarHBondContact O-N 3.03Å; V939-Y942 WeakPolarHBondContact O-CB 3.16Å; V939-Y942 PolarHBondContact O-N 3.45Å; V939-M943 HydrophobicContact CG1-CG 4.43Å; V939-M943 VanDerWaalsContact O-CG 3.23Å; V939-M943 WeakPolarHBondContact O-CG 3.16Å; V939-M943 PolarHBondContact O-N 2.95Å; V939-A956 HydrophobicContact CG1-CB 4.47Å; V939-A960 HydrophobicContact CG1-CB 4.45Å; V939-A960 HydrophobicContact CG2-CB 4Å; V939-M963 HydrophobicContact CG2-SD 4.34Å; V939-F969 HydrophobicContact CG2-CE2 4.19Å; V939-F969 HydrophobicContact CG2-CZ 4.11Å; V939-V975 HydrophobicContact CB-CG1 4.06Å; V939-V975 HydrophobicContact CG1-CG1 3.69Å
940	Q	82.2	Confident	79	Confident	98 Å²	98	56.4 Å²	56.4	46%	0.458	29%	0.289	S	S	.	.	H	α-helix	trans	-58.9	-39.5	175.7	-74.3	175.2	-10	0	0	112.2	Q936 M943 E944 V975	Q936-Q940 WeakPolarHBondContact O-CG 3.49Å; Q936-Q940 PolarHBondContact O-N 3.02Å; Q940-M943 CarbonylContact O-C 3.5Å; Q940-M943 WeakPolarHBondContact O-CA 3.47Å; Q940-M943 WeakPolarHBondContact O-CB 3.41Å; Q940-M943 PolarHBondContact O-N 3.21Å; Q940-M943 VanDerWaalsContact O-N 3.14Å; Q940-E944 WeakPolarHBondContact O-CG 3.39Å; Q940-E944 PolarHBondContact O-N 3.35Å; Q940-V975 HydrophobicContact CG-CG1 4.5Å
941	K	82.7	Confident	79.1	Confident	54 Å²	54	56.5 Å²	56.5	24%	0.235	30%	0.296	C	S	.	.	H	α-helix	trans	-68.5	-39.2	178.2	-158.9	72.3	-167.5	164	0	112.6	L915 L933 G937 V938 V939 M943 E944 I945	L915-K941 HydrophobicContact CD1-CB 4.06Å; L915-K941 HydrophobicContact CD1-CG 4.41Å; L915-K941 HydrophobicContact CD2-CB 4.39Å; L915-K941 HydrophobicContact CD2-CG 4.29Å; L933-K941 HydrophobicContact CD1-CB 4.5Å; G937-K941 VanDerWaalsContact O-CB 3.3Å; G937-K941 WeakPolarHBondContact O-CB 3.36Å; G937-K941 PolarHBondContact O-N 2.92Å; V938-K941 PolarHBondContact O-N 3.41Å; V939-K941 VanDerWaalsContact C-N 3.28Å; V939-K941 PolarHBondContact O-N 3.03Å; K941-M943 VanDerWaalsContact C-N 3.26Å; K941-M943 PolarHBondContact O-N 2.84Å; K941-E944 WeakPolarHBondContact CD-OE2 2.89Å; K941-E944 WeakPolarHBondContact CE-OE2 3.48Å; K941-E944 IonicContact NZ-OE2 3.06Å; K941-E944 PolarHBondContact NZ-OE2 3.08Å; K941-E944 PolarHBondContact O-N 3.34Å; K941-I945 VanDerWaalsContact O-CG1 3.31Å; K941-I945 WeakPolarHBondContact O-CG1 3.47Å; K941-I945 PolarHBondContact O-N 2.96Å
942	Y	82.5	Confident	79.2	Confident	3 Å²	3	50.1 Å²	50.1	1%	0.012	27%	0.268	C	S	.	.	H	α-helix	trans	-59	-40.6	169.1	-79.4	-66.2	0	0	0	111.6	C911 F914 L915 V938 V939 I945 A946 F952 E955 T959	C911-Y942 HydrophobicContact CB-CE2 4.32Å; F914-Y942 AromaticContact CD1-CE1 3.86Å; F914-Y942 HydrophobicContact CD1-CE1 3.86Å; F914-Y942 WeakPolarHBondContact CD1-OH 3.3Å; F914-Y942 AromaticContact CE1-CE1 3.91Å; F914-Y942 HydrophobicContact CE1-CE1 3.91Å; L915-Y942 HydrophobicContact CD1-CD2 4.21Å; L915-Y942 HydrophobicContact CD1-CE2 3.98Å; L915-Y942 HydrophobicContact CD2-CD1 3.66Å; L915-Y942 HydrophobicContact CD2-CD2 4.2Å; L915-Y942 HydrophobicContact CD2-CE1 3.66Å; L915-Y942 HydrophobicContact CD2-CE2 4.15Å; L915-Y942 HydrophobicContact CD2-CG 3.96Å; L915-Y942 HydrophobicContact CG-CD2 4.46Å; L915-Y942 HydrophobicContact CG-CE1 4.15Å; L915-Y942 HydrophobicContact CG-CE2 4.03Å; V938-Y942 HydrophobicContact CG1-CD2 3.8Å; V938-Y942 HydrophobicContact CG1-CE2 3.55Å; V938-Y942 WeakPolarHBondContact O-CD2 3.46Å; V938-Y942 PolarHBondContact O-N 3.37Å; V939-Y942 WeakPolarHBondContact O-CB 3.16Å; V939-Y942 PolarHBondContact O-N 3.45Å; Y942-I945 PolarHBondContact O-N 2.66Å; Y942-A946 WeakPolarHBondContact O-CB 3.41Å; Y942-A946 PolarHBondContact O-N 2.76Å; Y942-F952 AromaticContact CD1-CD1 3.83Å; Y942-F952 HydrophobicContact CD1-CD1 3.83Å; Y942-F952 HydrophobicContact CD1-CE1 4.44Å; Y942-F952 HydrophobicContact CE1-CD1 4.25Å; Y942-F952 HydrophobicContact CE1-CE1 4.49Å; Y942-E955 HydrophobicContact CD1-CB 4.5Å; Y942-E955 HydrophobicContact CD1-CG 4.22Å; Y942-E955 HydrophobicContact CE1-CG 3.79Å; Y942-T959 HydrophobicContact CD2-CG2 4.44Å; Y942-T959 HydrophobicContact CE2-CG2 4.06Å
943	M	77.8	Confident	79.1	Confident	12 Å²	12	49.7 Å²	49.7	6%	0.059	26%	0.264	C	S	.	.	H	α-helix	trans	-68.9	-32.4	177.4	-67.2	-62	-56.5	0	0	113.7	V939 Q940 K941 A946 D947 Y953 A956 A979 K982	V939-M943 HydrophobicContact CG1-CG 4.43Å; V939-M943 VanDerWaalsContact O-CG 3.23Å; V939-M943 WeakPolarHBondContact O-CG 3.16Å; V939-M943 PolarHBondContact O-N 2.95Å; Q940-M943 CarbonylContact O-C 3.5Å; Q940-M943 WeakPolarHBondContact O-CA 3.47Å; Q940-M943 WeakPolarHBondContact O-CB 3.41Å; Q940-M943 PolarHBondContact O-N 3.21Å; Q940-M943 VanDerWaalsContact O-N 3.14Å; K941-M943 VanDerWaalsContact C-N 3.26Å; K941-M943 PolarHBondContact O-N 2.84Å; M943-A946 PolarHBondContact O-N 3.26Å; M943-D947 PolarHBondContact O-N 2.87Å; M943-Y953 HydrophobicContact CE-CD1 3.46Å; M943-Y953 VanDerWaalsContact CE-CD1 3.46Å; M943-Y953 HydrophobicContact CE-CE1 3.3Å; M943-Y953 HydrophobicContact SD-CD1 3.84Å; M943-Y953 HydrophobicContact SD-CE1 4.23Å; M943-A956 HydrophobicContact CG-CB 4.09Å; M943-A956 HydrophobicContact SD-CB 3.6Å; M943-A956 VanDerWaalsContact SD-CB 3.6Å; M943-A979 VanDerWaalsContact CE-CA 3.47Å; M943-A979 HydrophobicContact CE-CB 3.96Å; M943-A979 HydrophobicContact CG-CB 4.33Å; M943-A979 HydrophobicContact SD-CB 3.59Å; M943-A979 VanDerWaalsContact SD-CB 3.59Å; M943-K982 HydrophobicContact CE-CB 3.66Å; M943-K982 HydrophobicContact CE-CD 3.49Å; M943-K982 VanDerWaalsContact CE-CD 3.49Å; M943-K982 HydrophobicContact CE-CG 4.14Å
944	E	79.5	Confident	78.9	Confident	99 Å²	99	48.3 Å²	48.3	46%	0.463	26%	0.26	S	S	.	.	H	α-helix	trans	-68.6	-41.4	172.7	-74.7	175.2	-169.4	0	0	111.3	Q940 K941 A946 D947	Q940-E944 WeakPolarHBondContact O-CG 3.39Å; Q940-E944 PolarHBondContact O-N 3.35Å; K941-E944 WeakPolarHBondContact CD-OE2 2.89Å; K941-E944 WeakPolarHBondContact CE-OE2 3.48Å; K941-E944 IonicContact NZ-OE2 3.06Å; K941-E944 PolarHBondContact NZ-OE2 3.08Å; K941-E944 PolarHBondContact O-N 3.34Å; E944-A946 VanDerWaalsContact C-N 3.25Å; E944-A946 PolarHBondContact O-N 2.87Å; E944-D947 WeakPolarHBondContact O-CB 3.21Å; E944-D947 PolarHBondContact O-N 3.03Å
945	I	78.3	Confident	78.8	Confident	26 Å²	26	47.9 Å²	47.9	13%	0.133	25%	0.252	C	S	.	.	H	α-helix	trans	-68.1	-31.7	174.9	-60.6	164.3	0	0	0	110.2	L915 V918 K941 Y942 D947 D948 D949 F952	L915-I945 HydrophobicContact CD2-CD1 3.59Å; V918-I945 HydrophobicContact CG1-CD1 4.23Å; V918-I945 HydrophobicContact CG1-CG2 4.49Å; K941-I945 VanDerWaalsContact O-CG1 3.31Å; K941-I945 WeakPolarHBondContact O-CG1 3.47Å; K941-I945 PolarHBondContact O-N 2.96Å; Y942-I945 PolarHBondContact O-N 2.66Å; I945-D947 PolarHBondContact O-N 3.19Å; I945-D948 PolarHBondContact O-N 2.9Å; I945-D949 PolarHBondContact O-N 3.06Å; I945-F952 HydrophobicContact CB-CG 4.38Å; I945-F952 HydrophobicContact CG2-CD1 4.1Å; I945-F952 HydrophobicContact CG2-CD2 3.61Å; I945-F952 HydrophobicContact CG2-CE1 4.07Å; I945-F952 HydrophobicContact CG2-CE2 3.62Å; I945-F952 HydrophobicContact CG2-CG 3.84Å; I945-F952 HydrophobicContact CG2-CZ 3.83Å
946	A	75.9	Confident	78.9	Confident	0 Å²	0	46.5 Å²	46.5	0%	0	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-19	176	0	0	0	0	0	114.1	Y942 M943 E944 D948 D949 F952 Y953	Y942-A946 WeakPolarHBondContact O-CB 3.41Å; Y942-A946 PolarHBondContact O-N 2.76Å; M943-A946 PolarHBondContact O-N 3.26Å; E944-A946 VanDerWaalsContact C-N 3.25Å; E944-A946 PolarHBondContact O-N 2.87Å; A946-D948 PolarHBondContact O-N 3.15Å; A946-D949 WeakPolarHBondContact CA-O 3.28Å; A946-F952 HydrophobicContact CB-CB 3.74Å; A946-Y953 HydrophobicContact CB-CD1 3.92Å; A946-Y953 HydrophobicContact CB-CD2 3.79Å; A946-Y953 HydrophobicContact CB-CE1 3.94Å; A946-Y953 HydrophobicContact CB-CE2 3.79Å; A946-Y953 HydrophobicContact CB-CG 3.84Å; A946-Y953 VanDerWaalsContact O-CE2 3.23Å; A946-Y953 WeakPolarHBondContact O-CE2 3.33Å
947	D	71.5	Confident	79	Confident	92 Å²	92	43.9 Å²	43.9	49%	0.492	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-21.8	171	-64.4	-31.9	0	0	0	111	M943 E944 I945 Y953 K982	M943-D947 PolarHBondContact O-N 2.87Å; E944-D947 WeakPolarHBondContact O-CB 3.21Å; E944-D947 PolarHBondContact O-N 3.03Å; I945-D947 PolarHBondContact O-N 3.19Å; D947-Y953 PolarHBondContact OD1-OH 3.12Å; D947-K982 IonicContact OD1-NZ 2.79Å; D947-K982 PolarHBondContact OD1-NZ 3.39Å; D947-K982 VanDerWaalsContact OD1-NZ 3.09Å; D947-K982 IonicContact OD2-NZ 3.36Å; D947-K982 PolarHBondContact OD2-NZ 3.48Å
948	D	73	Confident	79.1	Confident	155 Å²	155	49 Å²	49	83%	0.829	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-100.5	-36.1	175.1	-69	-39.9	0	0	0	113.7	I945 A946	I945-D948 PolarHBondContact O-N 2.9Å; A946-D948 PolarHBondContact O-N 3.15Å
949	D	76.9	Confident	79.1	Confident	74 Å²	74	49 Å²	49	40%	0.396	25%	0.248	S	C	.	.			trans	-133.2	107	179.1	177.8	-8.1	0	0	0	111.6	I945 A946 S951 F952	I945-D949 PolarHBondContact O-N 3.06Å; A946-D949 WeakPolarHBondContact CA-O 3.28Å; D949-S951 PolarHBondContact O-N 3.44Å; D949-S951 VanDerWaalsContact OD1-CB 3.31Å; D949-S951 WeakPolarHBondContact OD1-CB 3.49Å; D949-S951 PolarHBondContact OD1-N 2.95Å; D949-S951 PolarHBondContact OD1-OG 3.19Å; D949-S951 PolarHBondContact OD2-OG 2.87Å; D949-F952 HydrophobicContact CB-CD2 3.72Å; D949-F952 HydrophobicContact CB-CE2 3.94Å; D949-F952 WeakPolarHBondContact O-CD2 3.4Å; D949-F952 PolarHBondContact O-N 2.89Å
950	D	72.8	Confident	79.2	Confident	79 Å²	79	49.1 Å²	49.1	42%	0.422	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.8	-23.4	-176.7	-71.3	-23.1	0	0	0	114.9	F952 Y953 L1006	D950-F952 PolarHBondContact O-N 2.99Å; D950-Y953 HydrophobicContact CB-CD2 4.46Å; D950-Y953 WeakPolarHBondContact O-CD2 3.04Å; D950-Y953 PolarHBondContact O-N 3.37Å; D950-L1006 HydrophobicContact CB-CD1 3.86Å; D950-L1006 HydrophobicContact CB-CD2 3.71Å; D950-L1006 HydrophobicContact CB-CG 4.43Å
951	S	72.7	Confident	79.2	Confident	61 Å²	61	48.1 Å²	48.1	43%	0.427	25%	0.246	S	C	.	.	H	α-helix	trans	-63.7	-23.8	178.5	67.3	0	0	0	0	113.1	D949 Y953 S954	D949-S951 PolarHBondContact O-N 3.44Å; D949-S951 VanDerWaalsContact OD1-CB 3.31Å; D949-S951 WeakPolarHBondContact OD1-CB 3.49Å; D949-S951 PolarHBondContact OD1-N 2.95Å; D949-S951 PolarHBondContact OD1-OG 3.19Å; D949-S951 PolarHBondContact OD2-OG 2.87Å; S951-Y953 VanDerWaalsContact C-N 3.31Å; S951-Y953 PolarHBondContact O-N 3.44Å; S951-S954 PolarHBondContact O-N 2.92Å; S951-S954 PolarHBondContact O-OG 3.01Å
952	F	80.6	Confident	79.2	Confident	26 Å²	26	50.4 Å²	50.4	11%	0.114	25%	0.253	C	S	.	.	H	α-helix	trans	-75.7	-15.1	179.6	-72.9	-86.9	0	0	0	113.8	F914 V918 Y942 I945 A946 D949 D950 E955 A956	F914-F952 HydrophobicContact CE1-CE1 4.05Å; V918-F952 HydrophobicContact CG1-CZ 4.17Å; V918-F952 HydrophobicContact CG2-CZ 4.49Å; Y942-F952 AromaticContact CD1-CD1 3.83Å; Y942-F952 HydrophobicContact CD1-CD1 3.83Å; Y942-F952 HydrophobicContact CD1-CE1 4.44Å; Y942-F952 HydrophobicContact CE1-CD1 4.25Å; Y942-F952 HydrophobicContact CE1-CE1 4.49Å; I945-F952 HydrophobicContact CB-CG 4.38Å; I945-F952 HydrophobicContact CG2-CD1 4.1Å; I945-F952 HydrophobicContact CG2-CD2 3.61Å; I945-F952 HydrophobicContact CG2-CE1 4.07Å; I945-F952 HydrophobicContact CG2-CE2 3.62Å; I945-F952 HydrophobicContact CG2-CG 3.84Å; I945-F952 HydrophobicContact CG2-CZ 3.83Å; A946-F952 HydrophobicContact CB-CB 3.74Å; D949-F952 HydrophobicContact CB-CD2 3.72Å; D949-F952 HydrophobicContact CB-CE2 3.94Å; D949-F952 WeakPolarHBondContact O-CD2 3.4Å; D949-F952 PolarHBondContact O-N 2.89Å; D950-F952 PolarHBondContact O-N 2.99Å; F952-E955 PolarHBondContact O-N 2.74Å; F952-A956 VanDerWaalsContact O-CB 3.29Å; F952-A956 WeakPolarHBondContact O-CB 3.17Å; F952-A956 PolarHBondContact O-N 2.85Å
953	Y	80.5	Confident	79.3	Confident	10 Å²	10	50.3 Å²	50.3	4%	0.039	25%	0.253	C	S	.	.	H	α-helix	trans	-62.7	-43.1	170.9	-74	-72	0	0	0	111.6	M943 A946 D947 D950 S951 A956 L957 K982 L983 A986 L1006	M943-Y953 HydrophobicContact CE-CD1 3.46Å; M943-Y953 VanDerWaalsContact CE-CD1 3.46Å; M943-Y953 HydrophobicContact CE-CE1 3.3Å; M943-Y953 HydrophobicContact SD-CD1 3.84Å; M943-Y953 HydrophobicContact SD-CE1 4.23Å; A946-Y953 HydrophobicContact CB-CD1 3.92Å; A946-Y953 HydrophobicContact CB-CD2 3.79Å; A946-Y953 HydrophobicContact CB-CE1 3.94Å; A946-Y953 HydrophobicContact CB-CE2 3.79Å; A946-Y953 HydrophobicContact CB-CG 3.84Å; A946-Y953 VanDerWaalsContact O-CE2 3.23Å; A946-Y953 WeakPolarHBondContact O-CE2 3.33Å; D947-Y953 PolarHBondContact OD1-OH 3.12Å; D950-Y953 HydrophobicContact CB-CD2 4.46Å; D950-Y953 WeakPolarHBondContact O-CD2 3.04Å; D950-Y953 PolarHBondContact O-N 3.37Å; S951-Y953 VanDerWaalsContact C-N 3.31Å; S951-Y953 PolarHBondContact O-N 3.44Å; Y953-A956 PolarHBondContact O-N 3.12Å; Y953-L957 PolarHBondContact O-N 3.46Å; Y953-L957 VanDerWaalsContact O-N 3.12Å; Y953-K982 HydrophobicContact CE1-CB 3.71Å; Y953-L983 HydrophobicContact CD1-CB 4.09Å; Y953-L983 HydrophobicContact CD2-CD1 4.4Å; Y953-L983 HydrophobicContact CG-CB 4.36Å; Y953-L983 HydrophobicContact CG-CD1 4.06Å; Y953-A986 HydrophobicContact CE2-CB 3.81Å; Y953-L1006 HydrophobicContact CD2-CD2 3.97Å
954	S	76.9	Confident	79.5	Confident	35 Å²	35	52.9 Å²	52.9	25%	0.245	27%	0.269	C	S	.	.	H	α-helix	trans	-64.9	-40.7	174.8	36.7	0	0	0	0	112.1	S951 L957 Y958	S951-S954 PolarHBondContact O-N 2.92Å; S951-S954 PolarHBondContact O-OG 3.01Å; S954-L957 PolarHBondContact O-N 3Å; S954-Y958 VanDerWaalsContact O-CB 3.27Å; S954-Y958 WeakPolarHBondContact O-CB 3.47Å; S954-Y958 PolarHBondContact O-N 2.82Å
955	E	81.9	Confident	79.7	Confident	77 Å²	77	54 Å²	54	36%	0.36	27%	0.274	S	S	.	.	H	α-helix	trans	-66.3	-39.3	178.3	-163.1	65	-156.9	0	0	111.5	Y942 F952 T959	Y942-E955 HydrophobicContact CD1-CB 4.5Å; Y942-E955 HydrophobicContact CD1-CG 4.22Å; Y942-E955 HydrophobicContact CE1-CG 3.79Å; F952-E955 PolarHBondContact O-N 2.74Å; E955-T959 WeakPolarHBondContact O-CB 3.48Å; E955-T959 PolarHBondContact O-N 3.27Å; E955-T959 PolarHBondContact O-OG1 2.75Å
956	A	82.5	Confident	79.8	Confident	0 Å²	0	54.5 Å²	54.5	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-61	-48.2	175.9	0	0	0	0	0	111.6	V939 M943 F952 Y953 A960	V939-A956 HydrophobicContact CG1-CB 4.47Å; M943-A956 HydrophobicContact CG-CB 4.09Å; M943-A956 HydrophobicContact SD-CB 3.6Å; M943-A956 VanDerWaalsContact SD-CB 3.6Å; F952-A956 VanDerWaalsContact O-CB 3.29Å; F952-A956 WeakPolarHBondContact O-CB 3.17Å; F952-A956 PolarHBondContact O-N 2.85Å; Y953-A956 PolarHBondContact O-N 3.12Å; A956-A960 VanDerWaalsContact O-CB 3.31Å; A956-A960 WeakPolarHBondContact O-CB 3.15Å; A956-A960 PolarHBondContact O-N 3.49Å
957	L	83.7	Confident	80	Confident	8 Å²	8	57 Å²	57	4%	0.042	30%	0.303	C	S	.	.	H	α-helix	trans	-70.3	-40.2	179.9	-71.8	170.9	0	0	0	112.2	Y953 S954 A960 L961 A979 W980 L983 T1010 L1014	Y953-L957 PolarHBondContact O-N 3.46Å; Y953-L957 VanDerWaalsContact O-N 3.12Å; S954-L957 PolarHBondContact O-N 3Å; L957-A960 PolarHBondContact O-N 3.2Å; L957-L961 WeakPolarHBondContact O-CB 3.06Å; L957-L961 PolarHBondContact O-N 3.08Å; L957-A979 HydrophobicContact CD2-CB 3.74Å; L957-A979 HydrophobicContact CG-CB 4.37Å; L957-W980 HydrophobicContact CD1-CD2 4.1Å; L957-W980 HydrophobicContact CD1-CE3 4.17Å; L957-W980 HydrophobicContact CD1-CH2 4.15Å; L957-W980 HydrophobicContact CD1-CZ2 4.06Å; L957-W980 HydrophobicContact CD1-CZ3 4.2Å; L957-W980 HydrophobicContact CD2-CD2 4.39Å; L957-W980 HydrophobicContact CD2-CG 4.4Å; L957-L983 HydrophobicContact CD1-CD2 3.76Å; L957-T1010 HydrophobicContact CD1-CG2 3.77Å; L957-L1014 HydrophobicContact CB-CD1 3.9Å; L957-L1014 HydrophobicContact CB-CD2 4.01Å; L957-L1014 HydrophobicContact CB-CG 4.47Å; L957-L1014 HydrophobicContact CD1-CD1 4.04Å
958	Y	83.1	Confident	80.1	Confident	119 Å²	119	54.7 Å²	54.7	47%	0.467	29%	0.29	S	S	.	.	H	α-helix	trans	-64.1	-44	175.3	179.7	-97.6	0	0	0	111.2	S954 A960 L961 R962	S954-Y958 VanDerWaalsContact O-CB 3.27Å; S954-Y958 WeakPolarHBondContact O-CB 3.47Å; S954-Y958 PolarHBondContact O-N 2.82Å; Y958-A960 PolarHBondContact O-N 3.05Å; Y958-L961 PolarHBondContact O-N 2.95Å; Y958-R962 WeakPolarHBondContact O-CB 3.42Å; Y958-R962 PolarHBondContact O-N 3.09Å
959	T	84.3	Confident	80	Confident	1 Å²	1	48 Å²	48	1%	0.006	25%	0.254	C	S	.	.	H	α-helix	trans	-60.9	-45.8	174.9	-64.2	0	0	0	0	110.9	F907 V938 Y942 E955 R962 M963	F907-T959 HydrophobicContact CE1-CG2 4.08Å; F907-T959 HydrophobicContact CZ-CG2 4.23Å; V938-T959 HydrophobicContact CG1-CG2 4.26Å; Y942-T959 HydrophobicContact CD2-CG2 4.44Å; Y942-T959 HydrophobicContact CE2-CG2 4.06Å; E955-T959 WeakPolarHBondContact O-CB 3.48Å; E955-T959 PolarHBondContact O-N 3.27Å; E955-T959 PolarHBondContact O-OG1 2.75Å; T959-R962 PolarHBondContact O-N 3.32Å; T959-M963 HydrophobicContact CG2-CE 3.64Å; T959-M963 HydrophobicContact CG2-SD 4.32Å; T959-M963 VanDerWaalsContact O-CG 3.29Å; T959-M963 WeakPolarHBondContact O-CG 3.35Å; T959-M963 PolarHBondContact O-N 3.49Å
960	A	83.4	Confident	79.6	Confident	2 Å²	2	55.5 Å²	55.5	2%	0.017	28%	0.276	C	S	.	.	H	α-helix	trans	-60.4	-45.7	176.2	0	0	0	0	0	111.9	V939 A956 L957 Y958 R962 M963 V964 I976	V939-A960 HydrophobicContact CG1-CB 4.45Å; V939-A960 HydrophobicContact CG2-CB 4Å; A956-A960 VanDerWaalsContact O-CB 3.31Å; A956-A960 WeakPolarHBondContact O-CB 3.15Å; A956-A960 PolarHBondContact O-N 3.49Å; L957-A960 PolarHBondContact O-N 3.2Å; Y958-A960 PolarHBondContact O-N 3.05Å; A960-R962 VanDerWaalsContact C-N 3.33Å; A960-R962 PolarHBondContact O-N 3.18Å; A960-M963 PolarHBondContact O-N 3.22Å; A960-V964 WeakPolarHBondContact O-CG2 3.46Å; A960-V964 PolarHBondContact O-N 3.49Å; A960-I976 HydrophobicContact CB-CG1 4.35Å
961	L	83.4	Confident	79.2	Confident	78 Å²	78	58.8 Å²	58.8	41%	0.408	29%	0.289	S	S	.	.	H	α-helix	trans	-58.3	-46.2	176.3	-175.9	70.1	0	0	0	111.1	L957 Y958 M963 V964 E965 L1014	L957-L961 WeakPolarHBondContact O-CB 3.06Å; L957-L961 PolarHBondContact O-N 3.08Å; Y958-L961 PolarHBondContact O-N 2.95Å; L961-M963 VanDerWaalsContact C-N 3.34Å; L961-M963 PolarHBondContact O-N 3.25Å; L961-V964 WeakPolarHBondContact O-CB 3.48Å; L961-V964 PolarHBondContact O-N 2.88Å; L961-V964 VanDerWaalsContact O-N 3.13Å; L961-E965 PolarHBondContact O-N 3.24Å; L961-L1014 HydrophobicContact CD2-CD2 4.41Å
962	R	82.8	Confident	78.8	Confident	102 Å²	102	57.6 Å²	57.6	39%	0.385	28%	0.279	S	S	.	.	H	α-helix	trans	-65.8	-35.7	178.9	-170.8	55.9	170.8	-177.9	-2.3	112.6	F907 Y958 T959 A960 V964 E965 L966	F907-R962 HydrophobicContact CD1-CG 4.14Å; F907-R962 HydrophobicContact CD2-CG 4.01Å; F907-R962 HydrophobicContact CE1-CB 3.8Å; F907-R962 HydrophobicContact CE1-CG 3.72Å; F907-R962 HydrophobicContact CE2-CB 4.21Å; F907-R962 HydrophobicContact CE2-CG 3.58Å; F907-R962 HydrophobicContact CG-CG 4.28Å; F907-R962 HydrophobicContact CZ-CB 3.57Å; F907-R962 HydrophobicContact CZ-CG 3.42Å; F907-R962 VanDerWaalsContact CZ-CG 3.42Å; Y958-R962 WeakPolarHBondContact O-CB 3.42Å; Y958-R962 PolarHBondContact O-N 3.09Å; T959-R962 PolarHBondContact O-N 3.32Å; A960-R962 VanDerWaalsContact C-N 3.33Å; A960-R962 PolarHBondContact O-N 3.18Å; R962-V964 VanDerWaalsContact C-N 3.31Å; R962-E965 WeakPolarHBondContact CD-OE2 3.4Å; R962-E965 IonicContact CZ-OE2 2.86Å; R962-E965 IonicContact NE-OE2 3.86Å; R962-E965 IonicContact NH1-OE2 2.95Å; R962-E965 PolarHBondContact NH1-OE2 3.05Å; R962-E965 PolarHBondContact O-N 3.13Å; R962-L966 HydrophobicContact CG-CD1 4.18Å; R962-L966 WeakPolarHBondContact O-CB 3.12Å; R962-L966 VanDerWaalsContact O-CG 3.31Å; R962-L966 WeakPolarHBondContact O-CG 3.43Å; R962-L966 PolarHBondContact O-N 3.21Å; R962-L966 VanDerWaalsContact O-N 3.09Å
963	M	83.9	Confident	78.4	Confident	0 Å²	0	64 Å²	64	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-66.5	-32.1	173.1	-70.3	-178.4	177.4	0	0	112.6	F907 L908 P935 V938 V939 T959 A960 L961 G967 I968 F969	F907-M963 HydrophobicContact CD1-CG 4.12Å; F907-M963 HydrophobicContact CE1-CE 4.39Å; F907-M963 HydrophobicContact CE1-CG 3.84Å; L908-M963 HydrophobicContact CD1-CE 3.66Å; P935-M963 HydrophobicContact CB-SD 3.84Å; V938-M963 HydrophobicContact CB-CE 4.02Å; V938-M963 HydrophobicContact CG1-CE 3.74Å; V939-M963 HydrophobicContact CG2-SD 4.34Å; T959-M963 HydrophobicContact CG2-CE 3.64Å; T959-M963 HydrophobicContact CG2-SD 4.32Å; T959-M963 VanDerWaalsContact O-CG 3.29Å; T959-M963 WeakPolarHBondContact O-CG 3.35Å; T959-M963 PolarHBondContact O-N 3.49Å; A960-M963 PolarHBondContact O-N 3.22Å; L961-M963 VanDerWaalsContact C-N 3.34Å; L961-M963 PolarHBondContact O-N 3.25Å; M963-G967 PolarHBondContact O-N 2.97Å; M963-I968 PolarHBondContact O-N 2.93Å; M963-F969 HydrophobicContact CB-CB 3.95Å; M963-F969 HydrophobicContact CB-CD2 4.37Å; M963-F969 HydrophobicContact CB-CG 4.3Å; M963-F969 PolarHBondContact O-N 3.36Å; M963-F969 HydrophobicContact SD-CD2 4.16Å; M963-F969 HydrophobicContact SD-CE2 4.48Å
964	V	82.7	Confident	78.4	Confident	66 Å²	66	71 Å²	71	40%	0.4	34%	0.343	S	S	.	.	H	α-helix	trans	-68.1	-46.4	173	171.4	0	0	0	0	110.7	A960 L961 R962 L966 G967 F969 T972 I976	A960-V964 WeakPolarHBondContact O-CG2 3.46Å; A960-V964 PolarHBondContact O-N 3.49Å; L961-V964 WeakPolarHBondContact O-CB 3.48Å; L961-V964 PolarHBondContact O-N 2.88Å; L961-V964 VanDerWaalsContact O-N 3.13Å; R962-V964 VanDerWaalsContact C-N 3.31Å; V964-L966 PolarHBondContact O-N 3.23Å; V964-G967 PolarHBondContact O-N 3.4Å; V964-F969 HydrophobicContact CG2-CB 3.98Å; V964-F969 HydrophobicContact CG2-CD1 4.13Å; V964-T972 HydrophobicContact CG2-CG2 4.25Å; V964-I976 HydrophobicContact CG2-CD1 4.49Å
965	E	81.8	Confident	78.4	Confident	122 Å²	122	70.1 Å²	70.1	57%	0.57	34%	0.336	S	S	*	.	H	α-helix	trans	-58.9	-35.6	176	-69.4	-177.3	156	0	0	112.8	L961 R962 G967	L961-E965 PolarHBondContact O-N 3.24Å; R962-E965 WeakPolarHBondContact CD-OE2 3.4Å; R962-E965 IonicContact CZ-OE2 2.86Å; R962-E965 IonicContact NE-OE2 3.86Å; R962-E965 IonicContact NH1-OE2 2.95Å; R962-E965 PolarHBondContact NH1-OE2 3.05Å; R962-E965 PolarHBondContact O-N 3.13Å; E965-G967 VanDerWaalsContact C-N 3.29Å
966	L	82.5	Confident	78.4	Confident	38 Å²	38	68.3 Å²	68.3	20%	0.199	33%	0.328	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.8	-3.1	178	-67.4	169	0	0	0	113.3	K903 A904 F907 R962 V964 I968	K903-L966 HydrophobicContact CB-CD2 4.35Å; A904-L966 HydrophobicContact CB-CB 4.2Å; F907-L966 HydrophobicContact CB-CD1 3.59Å; F907-L966 HydrophobicContact CD1-CD1 3.85Å; F907-L966 HydrophobicContact CG-CD1 3.74Å; R962-L966 HydrophobicContact CG-CD1 4.18Å; R962-L966 WeakPolarHBondContact O-CB 3.12Å; R962-L966 VanDerWaalsContact O-CG 3.31Å; R962-L966 WeakPolarHBondContact O-CG 3.43Å; R962-L966 PolarHBondContact O-N 3.21Å; R962-L966 VanDerWaalsContact O-N 3.09Å; V964-L966 PolarHBondContact O-N 3.23Å; L966-I968 VanDerWaalsContact C-N 3.31Å; L966-I968 HydrophobicContact CB-CD1 4Å; L966-I968 HydrophobicContact CB-CG1 3.87Å; L966-I968 HydrophobicContact CD1-CD1 4.46Å; L966-I968 PolarHBondContact O-N 3.47Å
967	G	78.3	Confident	78.4	Confident	53 Å²	53	74.3 Å²	74.3	55%	0.546	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.1	17.1	177	0	0	0	0	0	115.3	M963 V964 E965	M963-G967 PolarHBondContact O-N 2.97Å; V964-G967 PolarHBondContact O-N 3.4Å; E965-G967 VanDerWaalsContact C-N 3.29Å
968	I	75	Confident	78.3	Confident	43 Å²	43	78.7 Å²	78.7	22%	0.221	38%	0.381	C	S	.	.			trans	-86.4	-33.3	-177.3	-40.7	176.9	0	0	0	111	A904 P935 M963 L966 R970	A904-I968 HydrophobicContact CB-CD1 3.38Å; A904-I968 HydrophobicContact CB-CG1 3.54Å; A904-I968 VanDerWaalsContact O-CD1 3.31Å; A904-I968 WeakPolarHBondContact O-CD1 3.36Å; P935-I968 HydrophobicContact CB-CG2 4.27Å; P935-I968 HydrophobicContact CG-CG2 3.55Å; M963-I968 PolarHBondContact O-N 2.93Å; L966-I968 VanDerWaalsContact C-N 3.31Å; L966-I968 HydrophobicContact CB-CD1 4Å; L966-I968 HydrophobicContact CB-CG1 3.87Å; L966-I968 HydrophobicContact CD1-CD1 4.46Å; L966-I968 PolarHBondContact O-N 3.47Å; I968-R970 PolarHBondContact O-N 2.95Å
969	F	70.9	Confident	78.3	Confident	15 Å²	15	73.1 Å²	73.1	7%	0.066	36%	0.359	C	S	.	.			trans	-88.3	98.9	-173.4	-142.1	-126.8	0	0	0	109.8	P935 Q936 V939 M963 V964 T972 V975 I976	P935-F969 HydrophobicContact CB-CD2 3.75Å; P935-F969 HydrophobicContact CB-CE2 4.09Å; Q936-F969 HydrophobicContact CB-CE2 4.35Å; Q936-F969 HydrophobicContact CG-CE2 3.77Å; Q936-F969 HydrophobicContact CG-CZ 4.07Å; V939-F969 HydrophobicContact CG2-CE2 4.19Å; V939-F969 HydrophobicContact CG2-CZ 4.11Å; M963-F969 HydrophobicContact CB-CB 3.95Å; M963-F969 HydrophobicContact CB-CD2 4.37Å; M963-F969 HydrophobicContact CB-CG 4.3Å; M963-F969 PolarHBondContact O-N 3.36Å; M963-F969 HydrophobicContact SD-CD2 4.16Å; M963-F969 HydrophobicContact SD-CE2 4.48Å; V964-F969 HydrophobicContact CG2-CB 3.98Å; V964-F969 HydrophobicContact CG2-CD1 4.13Å; F969-T972 VanDerWaalsContact C-CG2 3.44Å; F969-T972 HydrophobicContact CB-CG2 3.74Å; F969-T972 VanDerWaalsContact CD1-CB 3.5Å; F969-T972 HydrophobicContact CD1-CG2 3.13Å; F969-T972 HydrophobicContact CE1-CG2 3.92Å; F969-T972 HydrophobicContact CG-CG2 3.7Å; F969-T972 WeakPolarHBondContact O-CG2 3.45Å; F969-V975 HydrophobicContact CZ-CB 4.18Å; F969-V975 HydrophobicContact CZ-CG1 4.2Å; F969-I976 HydrophobicContact CD1-CD1 4.35Å; F969-I976 HydrophobicContact CE1-CD1 4.25Å; F969-I976 HydrophobicContact CE1-CG1 4.11Å
970	R	67.1	Low	78.3	Confident	230 Å²	230	76.2 Å²	76.2	87%	0.868	37%	0.371	S	S	*	.	S	Bend	trans	-92.8	-35.2	-175.2	-68	-172.3	179.3	-174.7	1.1	114.7	I968	I968-R970 PolarHBondContact O-N 2.95Å
971	E	65.2	Low	78.4	Confident	149 Å²	149	78.3 Å²	78.3	70%	0.696	39%	0.389	S	S	*	.	S	Bend	trans	-116.9	87.8	179.9	-74.4	179.3	-179.8	0	0	109.1	Q936	Q936-E971 PolarHBondContact NE2-O 3.48Å; Q936-E971 VanDerWaalsContact NE2-O 3.09Å
972	T	63.8	Low	78.4	Confident	35 Å²	35	78.1 Å²	78.1	22%	0.215	38%	0.384	C	S	.	.			trans	-109.3	-31.3	-158.4	65.9	0	0	0	0	113.3	V964 F969 Q974 V975 I976	V964-T972 HydrophobicContact CG2-CG2 4.25Å; F969-T972 VanDerWaalsContact C-CG2 3.44Å; F969-T972 HydrophobicContact CB-CG2 3.74Å; F969-T972 VanDerWaalsContact CD1-CB 3.5Å; F969-T972 HydrophobicContact CD1-CG2 3.13Å; F969-T972 HydrophobicContact CE1-CG2 3.92Å; F969-T972 HydrophobicContact CG-CG2 3.7Å; F969-T972 WeakPolarHBondContact O-CG2 3.45Å; T972-Q974 PolarHBondContact O-N 3.38Å; T972-V975 PolarHBondContact O-N 3.43Å; T972-I976 VanDerWaalsContact O-CB 3.3Å; T972-I976 WeakPolarHBondContact O-CB 3.42Å; T972-I976 VanDerWaalsContact O-CG1 3.27Å; T972-I976 WeakPolarHBondContact O-CG1 3.47Å; T972-I976 PolarHBondContact O-N 3.18Å
973	E	72.3	Confident	78.4	Confident	160 Å²	160	73.2 Å²	73.2	75%	0.748	37%	0.366	S	S	*	.	H	α-helix	trans	-59.9	-45.7	-168.7	-71.4	-172.9	169.8	0	0	112.2	M977	E973-M977 WeakPolarHBondContact O-CB 3.35Å; E973-M977 WeakPolarHBondContact O-CG 3.48Å; E973-M977 PolarHBondContact O-N 3.35Å
974	Q	79.9	Confident	78.4	Confident	159 Å²	159	76 Å²	76	74%	0.743	38%	0.383	S	S	*	.	H	α-helix	trans	-66.2	-49.7	-177.8	-70.2	-179	-6.9	0	0	112.5	T972 I976 M977 D978	T972-Q974 PolarHBondContact O-N 3.38Å; Q974-I976 PolarHBondContact O-N 2.71Å; Q974-M977 PolarHBondContact O-N 3.23Å; Q974-D978 WeakPolarHBondContact O-CB 3.48Å; Q974-D978 PolarHBondContact O-N 3.33Å
975	V	78.4	Confident	78.4	Confident	15 Å²	15	79.7 Å²	79.7	9%	0.091	40%	0.399	C	S	.	.	H	α-helix	trans	-67.5	-38.3	-177.1	-177.4	0	0	0	0	111.5	Q936 V939 Q940 F969 T972 A979	Q936-V975 HydrophobicContact CG-CG2 4.33Å; V939-V975 HydrophobicContact CB-CG1 4.06Å; V939-V975 HydrophobicContact CG1-CG1 3.69Å; Q940-V975 HydrophobicContact CG-CG1 4.5Å; F969-V975 HydrophobicContact CZ-CB 4.18Å; F969-V975 HydrophobicContact CZ-CG1 4.2Å; T972-V975 PolarHBondContact O-N 3.43Å; V975-A979 WeakPolarHBondContact O-CB 3.25Å; V975-A979 PolarHBondContact O-N 3.16Å
976	I	80.9	Confident	78.3	Confident	40 Å²	40	75.5 Å²	75.5	21%	0.205	39%	0.385	C	S	.	.	H	α-helix	trans	-69.2	-42.3	175.9	-67.1	174.4	0	0	0	110.4	A960 V964 F969 T972 Q974 A979 W980	A960-I976 HydrophobicContact CB-CG1 4.35Å; V964-I976 HydrophobicContact CG2-CD1 4.49Å; F969-I976 HydrophobicContact CD1-CD1 4.35Å; F969-I976 HydrophobicContact CE1-CD1 4.25Å; F969-I976 HydrophobicContact CE1-CG1 4.11Å; T972-I976 VanDerWaalsContact O-CB 3.3Å; T972-I976 WeakPolarHBondContact O-CB 3.42Å; T972-I976 VanDerWaalsContact O-CG1 3.27Å; T972-I976 WeakPolarHBondContact O-CG1 3.47Å; T972-I976 PolarHBondContact O-N 3.18Å; Q974-I976 PolarHBondContact O-N 2.71Å; I976-A979 PolarHBondContact O-N 2.78Å; I976-W980 PolarHBondContact O-N 3.17Å
977	M	82.3	Confident	78.3	Confident	125 Å²	125	73.9 Å²	73.9	62%	0.616	38%	0.377	S	S	*	.	H	α-helix	trans	-63.2	-41.3	175.5	-76	-65.5	-64.5	0	0	111.7	E973 Q974 A979 W980 A981	E973-M977 WeakPolarHBondContact O-CB 3.35Å; E973-M977 WeakPolarHBondContact O-CG 3.48Å; E973-M977 PolarHBondContact O-N 3.35Å; Q974-M977 PolarHBondContact O-N 3.23Å; M977-A979 VanDerWaalsContact C-N 3.33Å; M977-W980 PolarHBondContact O-N 3.45Å; M977-A981 WeakPolarHBondContact O-CB 3.43Å; M977-A981 PolarHBondContact O-N 2.82Å
978	D	83	Confident	78.3	Confident	101 Å²	101	79.9 Å²	79.9	54%	0.54	39%	0.391	S	S	.	.	H	α-helix	trans	-63.6	-40.7	174.9	-74.2	-12	0	0	0	111	Q974 A981 K982	Q974-D978 WeakPolarHBondContact O-CB 3.48Å; Q974-D978 PolarHBondContact O-N 3.33Å; D978-A981 PolarHBondContact O-N 2.88Å; D978-K982 WeakPolarHBondContact O-CB 3.44Å; D978-K982 WeakPolarHBondContact O-CG 3.4Å; D978-K982 PolarHBondContact O-N 2.97Å
979	A	82	Confident	78.7	Confident	1 Å²	1	83.3 Å²	83.3	1%	0.008	40%	0.401	C	S	.	.	H	α-helix	trans	-62.7	-46	175.7	0	0	0	0	0	112.3	M943 L957 V975 I976 M977 L983	M943-A979 VanDerWaalsContact CE-CA 3.47Å; M943-A979 HydrophobicContact CE-CB 3.96Å; M943-A979 HydrophobicContact CG-CB 4.33Å; M943-A979 HydrophobicContact SD-CB 3.59Å; M943-A979 VanDerWaalsContact SD-CB 3.59Å; L957-A979 HydrophobicContact CD2-CB 3.74Å; L957-A979 HydrophobicContact CG-CB 4.37Å; V975-A979 WeakPolarHBondContact O-CB 3.25Å; V975-A979 PolarHBondContact O-N 3.16Å; I976-A979 PolarHBondContact O-N 2.78Å; M977-A979 VanDerWaalsContact C-N 3.33Å; A979-L983 VanDerWaalsContact O-CB 3.29Å; A979-L983 WeakPolarHBondContact O-CB 3.26Å; A979-L983 PolarHBondContact O-N 2.93Å
980	W	85.4	Confident	79.1	Confident	66 Å²	66	84.7 Å²	84.7	25%	0.25	41%	0.411	C	S	.	.	H	α-helix	trans	-64	-42.2	173.6	-81	114.4	0	0	0	112.6	L957 I976 M977 L983 V984 F1007 L1011 L1014	L957-W980 HydrophobicContact CD1-CD2 4.1Å; L957-W980 HydrophobicContact CD1-CE3 4.17Å; L957-W980 HydrophobicContact CD1-CH2 4.15Å; L957-W980 HydrophobicContact CD1-CZ2 4.06Å; L957-W980 HydrophobicContact CD1-CZ3 4.2Å; L957-W980 HydrophobicContact CD2-CD2 4.39Å; L957-W980 HydrophobicContact CD2-CG 4.4Å; I976-W980 PolarHBondContact O-N 3.17Å; M977-W980 PolarHBondContact O-N 3.45Å; W980-L983 HydrophobicContact CE3-CD2 3.8Å; W980-L983 HydrophobicContact CZ3-CD2 3.72Å; W980-L983 PolarHBondContact O-N 3.47Å; W980-V984 WeakPolarHBondContact O-CB 3.42Å; W980-V984 VanDerWaalsContact O-CG2 3.25Å; W980-V984 WeakPolarHBondContact O-CG2 3.45Å; W980-V984 PolarHBondContact O-N 3.18Å; W980-F1007 HydrophobicContact CE3-CD2 4.27Å; W980-F1007 AromaticContact CE3-CE2 3.63Å; W980-F1007 HydrophobicContact CE3-CE2 3.63Å; W980-F1007 HydrophobicContact CE3-CZ 4.44Å; W980-F1007 HydrophobicContact CZ3-CD2 4.04Å; W980-F1007 AromaticContact CZ3-CE2 3.48Å; W980-F1007 HydrophobicContact CZ3-CE2 3.48Å; W980-F1007 VanDerWaalsContact CZ3-CE2 3.48Å; W980-F1007 HydrophobicContact CZ3-CZ 4.03Å; W980-L1011 HydrophobicContact CH2-CD1 4Å; W980-L1014 HydrophobicContact CH2-CD1 3.7Å; W980-L1014 HydrophobicContact CZ2-CD1 3.67Å
981	A	84.4	Confident	79.1	Confident	47 Å²	47	81 Å²	81	39%	0.388	41%	0.414	S	S	.	.	H	α-helix	trans	-64.4	-47	-179.9	0	0	0	0	0	111.2	M977 D978 V984 I985	M977-A981 WeakPolarHBondContact O-CB 3.43Å; M977-A981 PolarHBondContact O-N 2.82Å; D978-A981 PolarHBondContact O-N 2.88Å; A981-V984 PolarHBondContact O-N 3.12Å; A981-I985 VanDerWaalsContact O-CG1 3.26Å; A981-I985 WeakPolarHBondContact O-CG1 3.47Å; A981-I985 PolarHBondContact O-N 3.18Å
982	K	83.3	Confident	79.2	Confident	73 Å²	73	75.9 Å²	75.9	32%	0.317	40%	0.402	S	S	.	.	H	α-helix	trans	-61.9	-43.6	174.7	-76.3	-173.1	158.9	-148.2	0	111.7	M943 D947 Y953 D978 V984 I985 A986	M943-K982 HydrophobicContact CE-CB 3.66Å; M943-K982 HydrophobicContact CE-CD 3.49Å; M943-K982 VanDerWaalsContact CE-CD 3.49Å; M943-K982 HydrophobicContact CE-CG 4.14Å; D947-K982 IonicContact OD1-NZ 2.79Å; D947-K982 PolarHBondContact OD1-NZ 3.39Å; D947-K982 VanDerWaalsContact OD1-NZ 3.09Å; D947-K982 IonicContact OD2-NZ 3.36Å; D947-K982 PolarHBondContact OD2-NZ 3.48Å; Y953-K982 HydrophobicContact CE1-CB 3.71Å; D978-K982 WeakPolarHBondContact O-CB 3.44Å; D978-K982 WeakPolarHBondContact O-CG 3.4Å; D978-K982 PolarHBondContact O-N 2.97Å; K982-V984 VanDerWaalsContact C-N 3.34Å; K982-V984 PolarHBondContact O-N 3.22Å; K982-I985 PolarHBondContact O-N 2.78Å; K982-A986 WeakPolarHBondContact O-CB 3.29Å; K982-A986 PolarHBondContact O-N 2.91Å
983	L	84.1	Confident	79.4	Confident	0 Å²	0	79.7 Å²	79.7	0%	0	44%	0.437	C	S	.	.	H	α-helix	trans	-59	-43.2	175.1	173.3	63.6	0	0	0	112	Y953 L957 A979 W980 I985 A986 T987 L1006 F1007 T1010	Y953-L983 HydrophobicContact CD1-CB 4.09Å; Y953-L983 HydrophobicContact CD2-CD1 4.4Å; Y953-L983 HydrophobicContact CG-CB 4.36Å; Y953-L983 HydrophobicContact CG-CD1 4.06Å; L957-L983 HydrophobicContact CD1-CD2 3.76Å; A979-L983 VanDerWaalsContact O-CB 3.29Å; A979-L983 WeakPolarHBondContact O-CB 3.26Å; A979-L983 PolarHBondContact O-N 2.93Å; W980-L983 HydrophobicContact CE3-CD2 3.8Å; W980-L983 HydrophobicContact CZ3-CD2 3.72Å; W980-L983 PolarHBondContact O-N 3.47Å; L983-I985 VanDerWaalsContact C-N 3.34Å; L983-A986 PolarHBondContact O-N 3.38Å; L983-T987 WeakPolarHBondContact O-CB 3.39Å; L983-T987 PolarHBondContact O-N 2.83Å; L983-T987 PolarHBondContact O-OG1 3.06Å; L983-L1006 HydrophobicContact CD1-CD2 3.66Å; L983-L1006 HydrophobicContact CD1-CG 3.69Å; L983-F1007 HydrophobicContact CD2-CD2 4.16Å; L983-F1007 HydrophobicContact CG-CD2 4.25Å; L983-T1010 HydrophobicContact CD2-CG2 3.71Å
984	V	84.1	Confident	79.6	Confident	58 Å²	58	76.3 Å²	76.3	35%	0.352	42%	0.424	S	S	.	.	H	α-helix	trans	-65.1	-37.7	177.6	166.4	0	0	0	0	111.7	W980 A981 K982 W989 F1007	W980-V984 WeakPolarHBondContact O-CB 3.42Å; W980-V984 VanDerWaalsContact O-CG2 3.25Å; W980-V984 WeakPolarHBondContact O-CG2 3.45Å; W980-V984 PolarHBondContact O-N 3.18Å; A981-V984 PolarHBondContact O-N 3.12Å; K982-V984 VanDerWaalsContact C-N 3.34Å; K982-V984 PolarHBondContact O-N 3.22Å; V984-W989 HydrophobicContact CG1-CZ2 4.06Å; V984-W989 PolarHBondContact O-NE1 3.29Å; V984-F1007 HydrophobicContact CG2-CD2 3.73Å; V984-F1007 HydrophobicContact CG2-CE2 3.66Å
985	I	82.6	Confident	79.3	Confident	143 Å²	143	73.7 Å²	73.7	73%	0.733	42%	0.421	S	S	*	.	H	α-helix	trans	-70.1	-44.2	176.5	-68.2	164.8	0	0	0	111.2	A981 K982 L983 T987	A981-I985 VanDerWaalsContact O-CG1 3.26Å; A981-I985 WeakPolarHBondContact O-CG1 3.47Å; A981-I985 PolarHBondContact O-N 3.18Å; K982-I985 PolarHBondContact O-N 2.78Å; L983-I985 VanDerWaalsContact C-N 3.34Å; I985-T987 PolarHBondContact O-N 3.41Å
986	A	79.3	Confident	79.2	Confident	34 Å²	34	76.1 Å²	76.1	28%	0.281	44%	0.442	S	S	.	.	H	α-helix	trans	-68.3	-24.6	178.8	0	0	0	0	0	112.5	Y953 K982 L983 E988 L1006	Y953-A986 HydrophobicContact CE2-CB 3.81Å; K982-A986 WeakPolarHBondContact O-CB 3.29Å; K982-A986 PolarHBondContact O-N 2.91Å; L983-A986 PolarHBondContact O-N 3.38Å; A986-E988 PolarHBondContact O-N 3.2Å; A986-L1006 HydrophobicContact CB-CD2 4.49Å
987	T	82.2	Confident	78.8	Confident	4 Å²	4	78.7 Å²	78.7	3%	0.025	46%	0.46	C	S	.	.	S	Bend	trans	-72.2	119.6	180	-63	0	0	0	0	111.6	L983 I985 W989 T1005 L1006 F1007	L983-T987 WeakPolarHBondContact O-CB 3.39Å; L983-T987 PolarHBondContact O-N 2.83Å; L983-T987 PolarHBondContact O-OG1 3.06Å; I985-T987 PolarHBondContact O-N 3.41Å; T987-W989 HydrophobicContact CG2-CD2 4.44Å; T987-W989 HydrophobicContact CG2-CZ2 4.19Å; T987-W989 PolarHBondContact O-N 2.81Å; T987-W989 PolarHBondContact O-NE1 3.42Å; T987-T1005 HydrophobicContact CG2-CG2 4.21Å; T987-L1006 HydrophobicContact CG2-CB 4.49Å; T987-F1007 HydrophobicContact CG2-CB 3.8Å; T987-F1007 WeakPolarHBondContact OG1-CB 3.17Å; T987-F1007 PolarHBondContact OG1-N 2.8Å; T987-F1007 VanDerWaalsContact OG1-N 3.15Å
988	E	79	Confident	78.5	Confident	180 Å²	180	73.6 Å²	73.6	84%	0.841	44%	0.436	S	S	*	.			trans	-68	115.5	168.6	-66.5	-171.9	166.2	0	0	111.2	A986	A986-E988 PolarHBondContact O-N 3.2Å
989	W	82.3	Confident	78.1	Confident	114 Å²	114	71 Å²	71	43%	0.432	43%	0.429	S	S	.	.			trans	-90.1	127.9	179	-62.3	94.4	0	0	0	111.2	V984 T987 T991 F1007	V984-W989 HydrophobicContact CG1-CZ2 4.06Å; V984-W989 PolarHBondContact O-NE1 3.29Å; T987-W989 HydrophobicContact CG2-CD2 4.44Å; T987-W989 HydrophobicContact CG2-CZ2 4.19Å; T987-W989 PolarHBondContact O-N 2.81Å; T987-W989 PolarHBondContact O-NE1 3.42Å; W989-T991 PolarHBondContact O-N 3.34Å; W989-F1007 HydrophobicContact CH2-CB 4.15Å; W989-F1007 HydrophobicContact CH2-CD1 4.02Å; W989-F1007 AromaticContact CH2-CG 4Å; W989-F1007 HydrophobicContact CH2-CG 4Å; W989-F1007 HydrophobicContact CZ2-CB 4.42Å; W989-F1007 HydrophobicContact CZ2-CG 4.44Å
990	P	78.6	Confident	77.8	Confident	45 Å²	45	78.3 Å²	78.3	29%	0.292	47%	0.465	S	S	.	.			trans	-65.4	118.4	179.6	24	-31.7	0	0	0	111.7	G992 A1001 M1002	P990-G992 PolarHBondContact O-N 3.03Å; P990-A1001 HydrophobicContact CB-CB 3.7Å; P990-A1001 HydrophobicContact CG-CB 3.88Å; P990-M1002 HydrophobicContact CG-CG 3.8Å
991	T	68.3	Low	77.5	Confident	151 Å²	151	77.4 Å²	77.4	93%	0.926	47%	0.471	S	S	*	.			trans	-93.5	67.6	177.3	49.1	0	0	0	0	111.4	W989	W989-T991 PolarHBondContact O-N 3.34Å
992	G	67.3	Low	77.2	Confident	43 Å²	43	79.3 Å²	79.3	44%	0.443	47%	0.473	S	S	.	.			trans	-106.5	137.4	-179.8	0	0	0	0	0	113.7	P990 D994 S998	P990-G992 PolarHBondContact O-N 3.03Å; G992-D994 VanDerWaalsContact C-N 3.27Å; G992-D994 PolarHBondContact O-N 3.06Å; G992-S998 VanDerWaalsContact CA-OG 3.31Å; G992-S998 WeakPolarHBondContact CA-OG 3.49Å; G992-S998 PolarHBondContact N-OG 3.07Å; G992-S998 PolarHBondContact O-OG 3.32Å; G992-S998 VanDerWaalsContact O-OG 3.1Å
993	A	67.6	Low	77	Confident	114 Å²	114	84.8 Å²	84.8	94%	0.942	49%	0.492	S	S	*	.	S	Bend	trans	-69.2	-20.5	174.9	0	0	0	0	0	113.9
994	D	77.2	Confident	76.7	Confident	89 Å²	89	86.7 Å²	86.7	48%	0.476	51%	0.511	S	S	.	.	S	Bend	trans	-97.8	114.4	178.4	-167.5	-17.5	0	0	0	110.8	G992 A996 V997 S998	G992-D994 VanDerWaalsContact C-N 3.27Å; G992-D994 PolarHBondContact O-N 3.06Å; D994-A996 PolarHBondContact O-N 2.92Å; D994-A996 PolarHBondContact OD1-N 2.92Å; D994-V997 HydrophobicContact CB-CB 4.43Å; D994-V997 HydrophobicContact CB-CG2 4.21Å; D994-V997 PolarHBondContact O-N 2.83Å; D994-S998 PolarHBondContact O-N 3.37Å; D994-S998 VanDerWaalsContact O-N 3.11Å; D994-S998 PolarHBondContact O-OG 2.8Å
995	P	74.1	Confident	76.6	Confident	105 Å²	105	84.6 Å²	84.6	68%	0.682	50%	0.498	S	S	*	.	H	α-helix	trans	-56.1	-33	-178.2	-23.5	32	0	0	0	114	A999	P995-A999 VanDerWaalsContact O-CB 3.3Å; P995-A999 WeakPolarHBondContact O-CB 3.25Å; P995-A999 PolarHBondContact O-N 3.03Å
996	A	75.4	Confident	76.4	Confident	65 Å²	65	79.4 Å²	79.4	54%	0.537	47%	0.472	S	S	.	.	H	α-helix	trans	-72.5	-41.7	-175.7	0	0	0	0	0	112.3	D994 A999 M1000	D994-A996 PolarHBondContact O-N 2.92Å; D994-A996 PolarHBondContact OD1-N 2.92Å; A996-A999 PolarHBondContact O-N 2.81Å; A996-M1000 PolarHBondContact O-N 3.4Å
997	V	73.3	Confident	76.6	Confident	94 Å²	94	80.2 Å²	80.2	57%	0.57	47%	0.469	S	S	*	.	H	α-helix	trans	-69.5	-43.4	177	-178.9	0	0	0	0	110	D994 A999 M1000 A1001	D994-V997 HydrophobicContact CB-CB 4.43Å; D994-V997 HydrophobicContact CB-CG2 4.21Å; D994-V997 PolarHBondContact O-N 2.83Å; V997-A999 VanDerWaalsContact C-N 3.3Å; V997-A999 PolarHBondContact O-N 3.49Å; V997-M1000 PolarHBondContact O-N 2.96Å; V997-A1001 WeakPolarHBondContact O-CB 3.42Å; V997-A1001 PolarHBondContact O-N 3.49Å
998	S	75.3	Confident	76.7	Confident	18 Å²	18	80.9 Å²	80.9	13%	0.126	48%	0.475	C	S	.	.	H	α-helix	trans	-59.9	-39	175.2	-62	0	0	0	0	111.9	G992 D994 A1001 M1002	G992-S998 VanDerWaalsContact CA-OG 3.31Å; G992-S998 WeakPolarHBondContact CA-OG 3.49Å; G992-S998 PolarHBondContact N-OG 3.07Å; G992-S998 PolarHBondContact O-OG 3.32Å; G992-S998 VanDerWaalsContact O-OG 3.1Å; D994-S998 PolarHBondContact O-N 3.37Å; D994-S998 VanDerWaalsContact O-N 3.11Å; D994-S998 PolarHBondContact O-OG 2.8Å; S998-A1001 PolarHBondContact O-N 3.31Å; S998-M1002 WeakPolarHBondContact O-CB 3.45Å; S998-M1002 WeakPolarHBondContact O-CG 3.44Å; S998-M1002 PolarHBondContact O-N 2.86Å
999	A	74.8	Confident	76.7	Confident	47 Å²	47	79.9 Å²	79.9	39%	0.388	46%	0.464	S	S	.	.	H	α-helix	trans	-67.5	-38.6	177.2	0	0	0	0	0	113.9	P995 A996 V997 M1002	P995-A999 VanDerWaalsContact O-CB 3.3Å; P995-A999 WeakPolarHBondContact O-CB 3.25Å; P995-A999 PolarHBondContact O-N 3.03Å; A996-A999 PolarHBondContact O-N 2.81Å; V997-A999 VanDerWaalsContact C-N 3.3Å; V997-A999 PolarHBondContact O-N 3.49Å; A999-M1002 HydrophobicContact CB-CE 4.41Å; A999-M1002 PolarHBondContact O-N 3.43Å
1000	M	76.3	Confident	76.6	Confident	155 Å²	155	74.5 Å²	74.5	76%	0.764	44%	0.444	S	S	*	.	H	α-helix	trans	-67.9	-43.2	173.3	-79.1	-168.1	-175.4	0	0	111.6	A996 V997 M1002 R1003	A996-M1000 PolarHBondContact O-N 3.4Å; V997-M1000 PolarHBondContact O-N 2.96Å; M1000-M1002 VanDerWaalsContact C-N 3.27Å; M1000-M1002 PolarHBondContact O-N 3Å; M1000-R1003 PolarHBondContact O-N 3.22Å; M1000-R1003 VanDerWaalsContact O-N 3.17Å
1001	A	77.8	Confident	76.7	Confident	46 Å²	46	76.9 Å²	76.9	38%	0.38	45%	0.453	S	S	.	.	H	α-helix	trans	-61.5	-36.9	176	0	0	0	0	0	111.6	P990 V997 S998 R1003 G1004	P990-A1001 HydrophobicContact CB-CB 3.7Å; P990-A1001 HydrophobicContact CG-CB 3.88Å; V997-A1001 WeakPolarHBondContact O-CB 3.42Å; V997-A1001 PolarHBondContact O-N 3.49Å; S998-A1001 PolarHBondContact O-N 3.31Å; A1001-R1003 PolarHBondContact O-N 2.99Å; A1001-G1004 PolarHBondContact O-N 2.67Å
1002	M	79	Confident	77.2	Confident	87 Å²	87	76.5 Å²	76.5	43%	0.429	44%	0.441	S	S	.	.	H	α-helix	trans	-57.5	-32.7	175.3	-85.7	-161.5	-70.7	0	0	113.3	P990 S998 A999 M1000 G1004 T1005 A1008	P990-M1002 HydrophobicContact CG-CG 3.8Å; S998-M1002 WeakPolarHBondContact O-CB 3.45Å; S998-M1002 WeakPolarHBondContact O-CG 3.44Å; S998-M1002 PolarHBondContact O-N 2.86Å; A999-M1002 HydrophobicContact CB-CE 4.41Å; A999-M1002 PolarHBondContact O-N 3.43Å; M1000-M1002 VanDerWaalsContact C-N 3.27Å; M1000-M1002 PolarHBondContact O-N 3Å; M1002-G1004 PolarHBondContact O-N 2.65Å; M1002-T1005 PolarHBondContact O-N 3.44Å; M1002-T1005 PolarHBondContact O-OG1 3.14Å; M1002-A1008 WeakPolarHBondContact O-CB 3.32Å
1003	R	78	Confident	77.5	Confident	189 Å²	189	77.8 Å²	77.8	71%	0.713	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67	-21.7	177.4	-70.6	-174.9	176.9	-179.4	-1	113.4	M1000 A1001	M1000-R1003 PolarHBondContact O-N 3.22Å; M1000-R1003 VanDerWaalsContact O-N 3.17Å; A1001-R1003 PolarHBondContact O-N 2.99Å
1004	G	77.9	Confident	77.7	Confident	39 Å²	39	76.3 Å²	76.3	40%	0.402	42%	0.423	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.1	-7.6	-179.5	0	0	0	0	0	114.2	A1001 M1002 R1009	A1001-G1004 PolarHBondContact O-N 2.67Å; M1002-G1004 PolarHBondContact O-N 2.65Å; G1004-R1009 PolarHBondContact O-NE 3.47Å; G1004-R1009 PolarHBondContact O-NH2 3.01Å
1005	T	82.2	Confident	77.7	Confident	14 Å²	14	75.7 Å²	75.7	9%	0.086	42%	0.421	C	S	.	.	S	Bend	trans	-71.6	155.8	-173.7	66.3	0	0	0	0	111.9	T987 M1002 F1007 A1008 R1009	T987-T1005 HydrophobicContact CG2-CG2 4.21Å; M1002-T1005 PolarHBondContact O-N 3.44Å; M1002-T1005 PolarHBondContact O-OG1 3.14Å; T1005-F1007 VanDerWaalsContact C-N 3.32Å; T1005-F1007 PolarHBondContact O-N 3.07Å; T1005-A1008 PolarHBondContact O-N 3.13Å; T1005-A1008 VanDerWaalsContact O-N 3.15Å; T1005-A1008 WeakPolarHBondContact OG1-CB 3.44Å; T1005-A1008 PolarHBondContact OG1-N 3.28Å; T1005-R1009 WeakPolarHBondContact O-CG 3.42Å; T1005-R1009 PolarHBondContact O-N 3.18Å
1006	L	78.8	Confident	77.9	Confident	34 Å²	34	74.1 Å²	74.1	18%	0.178	41%	0.407	C	S	.	.	H	α-helix	trans	-54.1	-49.3	175.7	-175.5	69.1	0	0	0	110.9	D950 Y953 L983 A986 T987 A1008 R1009 T1010	D950-L1006 HydrophobicContact CB-CD1 3.86Å; D950-L1006 HydrophobicContact CB-CD2 3.71Å; D950-L1006 HydrophobicContact CB-CG 4.43Å; Y953-L1006 HydrophobicContact CD2-CD2 3.97Å; L983-L1006 HydrophobicContact CD1-CD2 3.66Å; L983-L1006 HydrophobicContact CD1-CG 3.69Å; A986-L1006 HydrophobicContact CB-CD2 4.49Å; T987-L1006 HydrophobicContact CG2-CB 4.49Å; L1006-A1008 VanDerWaalsContact C-N 3.35Å; L1006-A1008 PolarHBondContact O-N 2.82Å; L1006-R1009 PolarHBondContact O-N 3.21Å; L1006-T1010 WeakPolarHBondContact O-CB 3.28Å; L1006-T1010 PolarHBondContact O-N 3.36Å; L1006-T1010 PolarHBondContact O-OG1 3.18Å
1007	F	84.1	Confident	78	Confident	51 Å²	51	74.6 Å²	74.6	22%	0.224	40%	0.4	C	S	.	.	H	α-helix	trans	-51.6	-48.2	174.1	-175.9	-92.7	0	0	0	113.4	W980 L983 V984 T987 W989 T1005 T1010 L1011	W980-F1007 HydrophobicContact CE3-CD2 4.27Å; W980-F1007 AromaticContact CE3-CE2 3.63Å; W980-F1007 HydrophobicContact CE3-CE2 3.63Å; W980-F1007 HydrophobicContact CE3-CZ 4.44Å; W980-F1007 HydrophobicContact CZ3-CD2 4.04Å; W980-F1007 AromaticContact CZ3-CE2 3.48Å; W980-F1007 HydrophobicContact CZ3-CE2 3.48Å; W980-F1007 VanDerWaalsContact CZ3-CE2 3.48Å; W980-F1007 HydrophobicContact CZ3-CZ 4.03Å; L983-F1007 HydrophobicContact CD2-CD2 4.16Å; L983-F1007 HydrophobicContact CG-CD2 4.25Å; V984-F1007 HydrophobicContact CG2-CD2 3.73Å; V984-F1007 HydrophobicContact CG2-CE2 3.66Å; T987-F1007 HydrophobicContact CG2-CB 3.8Å; T987-F1007 WeakPolarHBondContact OG1-CB 3.17Å; T987-F1007 PolarHBondContact OG1-N 2.8Å; T987-F1007 VanDerWaalsContact OG1-N 3.15Å; W989-F1007 HydrophobicContact CH2-CB 4.15Å; W989-F1007 HydrophobicContact CH2-CD1 4.02Å; W989-F1007 AromaticContact CH2-CG 4Å; W989-F1007 HydrophobicContact CH2-CG 4Å; W989-F1007 HydrophobicContact CZ2-CB 4.42Å; W989-F1007 HydrophobicContact CZ2-CG 4.44Å; T1005-F1007 VanDerWaalsContact C-N 3.32Å; T1005-F1007 PolarHBondContact O-N 3.07Å; F1007-T1010 PolarHBondContact O-N 2.93Å; F1007-L1011 HydrophobicContact CE1-CD2 4.3Å; F1007-L1011 VanDerWaalsContact O-CB 3.31Å; F1007-L1011 WeakPolarHBondContact O-CB 3.46Å; F1007-L1011 PolarHBondContact O-N 3.35Å
1008	A	82.5	Confident	78.3	Confident	18 Å²	18	73.5 Å²	73.5	15%	0.149	39%	0.39	C	S	.	.	H	α-helix	trans	-69.2	-36.2	-178	0	0	0	0	0	112.8	M1002 T1005 L1006 Q1012	M1002-A1008 WeakPolarHBondContact O-CB 3.32Å; T1005-A1008 PolarHBondContact O-N 3.13Å; T1005-A1008 VanDerWaalsContact O-N 3.15Å; T1005-A1008 WeakPolarHBondContact OG1-CB 3.44Å; T1005-A1008 PolarHBondContact OG1-N 3.28Å; L1006-A1008 VanDerWaalsContact C-N 3.35Å; L1006-A1008 PolarHBondContact O-N 2.82Å; A1008-Q1012 WeakPolarHBondContact O-CB 3.4Å; A1008-Q1012 WeakPolarHBondContact O-CG 3.21Å; A1008-Q1012 PolarHBondContact O-N 3.3Å
1009	R	80.7	Confident	78.5	Confident	159 Å²	159	76.9 Å²	76.9	60%	0.6	41%	0.406	S	S	*	.	H	α-helix	trans	-66.1	-45	174.6	-70.3	177.8	-175.5	174.4	5	111.3	G1004 T1005 L1006 L1011 Q1012 A1013	G1004-R1009 PolarHBondContact O-NE 3.47Å; G1004-R1009 PolarHBondContact O-NH2 3.01Å; T1005-R1009 WeakPolarHBondContact O-CG 3.42Å; T1005-R1009 PolarHBondContact O-N 3.18Å; L1006-R1009 PolarHBondContact O-N 3.21Å; R1009-L1011 VanDerWaalsContact C-N 3.35Å; R1009-Q1012 PolarHBondContact O-N 3.2Å; R1009-A1013 WeakPolarHBondContact O-CB 3.34Å; R1009-A1013 PolarHBondContact O-N 3.26Å
1010	T	79	Confident	78.8	Confident	2 Å²	2	78.9 Å²	78.9	1%	0.012	41%	0.407	C	S	.	.	H	α-helix	trans	-62.8	-42.7	176.4	-56.7	0	0	0	0	111.2	L957 L983 L1006 F1007 Q1012 A1013 L1014	L957-T1010 HydrophobicContact CD1-CG2 3.77Å; L983-T1010 HydrophobicContact CD2-CG2 3.71Å; L1006-T1010 WeakPolarHBondContact O-CB 3.28Å; L1006-T1010 PolarHBondContact O-N 3.36Å; L1006-T1010 PolarHBondContact O-OG1 3.18Å; F1007-T1010 PolarHBondContact O-N 2.93Å; T1010-Q1012 VanDerWaalsContact C-N 3.3Å; T1010-Q1012 PolarHBondContact O-N 3.15Å; T1010-A1013 PolarHBondContact O-N 2.84Å; T1010-L1014 HydrophobicContact CG2-CD1 4.09Å; T1010-L1014 WeakPolarHBondContact O-CG 3.25Å; T1010-L1014 PolarHBondContact O-N 2.88Å
1011	L	81.5	Confident	78.9	Confident	94 Å²	94	73.5 Å²	73.5	49%	0.492	38%	0.382	S	S	.	.	H	α-helix	trans	-65.1	-29.5	175.5	-170.5	72.5	0	0	0	113.4	W980 F1007 R1009	W980-L1011 HydrophobicContact CH2-CD1 4Å; F1007-L1011 HydrophobicContact CE1-CD2 4.3Å; F1007-L1011 VanDerWaalsContact O-CB 3.31Å; F1007-L1011 WeakPolarHBondContact O-CB 3.46Å; F1007-L1011 PolarHBondContact O-N 3.35Å; R1009-L1011 VanDerWaalsContact C-N 3.35Å
1012	Q	79.2	Confident	79	Confident	144 Å²	144	75.6 Å²	75.6	67%	0.673	38%	0.382	S	S	*	.	H	α-helix	trans	-78.1	-28.3	174.3	-79	176.9	3.5	0	0	113.1	A1008 R1009 T1010	A1008-Q1012 WeakPolarHBondContact O-CB 3.4Å; A1008-Q1012 WeakPolarHBondContact O-CG 3.21Å; A1008-Q1012 PolarHBondContact O-N 3.3Å; R1009-Q1012 PolarHBondContact O-N 3.2Å; T1010-Q1012 VanDerWaalsContact C-N 3.3Å; T1010-Q1012 PolarHBondContact O-N 3.15Å
1013	A	73.1	Confident	79	Confident	70 Å²	70	74.7 Å²	74.7	58%	0.579	38%	0.378	S	S	*	.	H	α-helix	trans	-79.8	-34.7	-179.7	0	0	0	0	0	112.4	R1009 T1010	R1009-A1013 WeakPolarHBondContact O-CB 3.34Å; R1009-A1013 PolarHBondContact O-N 3.26Å; T1010-A1013 PolarHBondContact O-N 2.84Å
1014	L	71.1	Confident	79.1	Confident	82 Å²	82	64.3 Å²	64.3	43%	0.429	35%	0.348	S	S	.	.			trans	-71.4	0	168.1	-66.7	169.5	0	0	0	110.9	L957 L961 W980 T1010	L957-L1014 HydrophobicContact CB-CD1 3.9Å; L957-L1014 HydrophobicContact CB-CD2 4.01Å; L957-L1014 HydrophobicContact CB-CG 4.47Å; L957-L1014 HydrophobicContact CD1-CD1 4.04Å; L961-L1014 HydrophobicContact CD2-CD2 4.41Å; W980-L1014 HydrophobicContact CH2-CD1 3.7Å; W980-L1014 HydrophobicContact CZ2-CD1 3.67Å; T1010-L1014 HydrophobicContact CG2-CD1 4.09Å; T1010-L1014 WeakPolarHBondContact O-CG 3.25Å; T1010-L1014 PolarHBondContact O-N 2.88Å

Retrieved 1,014 of 1,014 residues in 309.6 ms (Link to these results)

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