A0A077Z4G0_TRITR Loading...

DNA primase

AlphaFold DB , UniProt , Accession A0A077Z4G0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 1,059 aa.

						>A0A077Z4G0_TRITR|A0A077Z4G0
MSSDEYEDDKLAFSITRIRNIMKSSPEIGSISHDAVVTMAKCTELFIESLLRSAYQKRADPKVVMYDDVAAAVQGSPQLDYLHEFIPSKIRFEFYPMELAQRLGKQYAELFAYIEALTNAYDDEMSSQIQFSSNVLHRWNTCDQENQALKSLIRNYERDVASIRQHYGESKAELLEARSQVAALVATNQLLLSEKNVLEEQVNAVRCILTEESDSLPEKSRKRLEFLTEKSSSNTERASGVSEAGIDFDHTDDSSDDRPTGAVPANLNGSDTTPKVSRKRSNSMGAEDRSQFFSKYNFDTKYKRSKDDLEMNNKPEPEEGMANTKTLTLQPNGLSRASNASDHSSLNKSASVPRLLPLKDVETTPVARQIVMAKSIPDINATPKAVNRMAPVATPRKKHMFFSKTVLRSEVCDVCEKKINFGRVLLRCLDCRTQLHQECRNNAIQPCVPRTPNSKNPKGKLVDYVPTTEPYVPHIVVHLIGEIERRGLDYVGIYRVPGTDSKVKDLLERFLFGRGVPNLKLVDDVSVLTGCLKKFFQQLKEPLIPYTSRGEFFRAATENSDLTVQMQKIHQAITELPLPSRDTLAFLILHLQKVNAQSAANKMPISNLARIFGPTILGSPSETMSVPEMVEESTKQEKVFAEMSEEFDVNALYEFLPIYYKRLFPYKSVIKWLSYGSITYFQRREFAFVLNGGIYLRYKSFNNQAELEKEVRSNVPEKIDIGAVFNMKPSEGRNKADLRAEEKELVFDIDMTDYDDVRTCCSGGSMCNKCWLFIVVAIRIIDETLSEDFGFEHRLWIYSGRRGVHCWVCDERARRLLGSVRAAIADYMSLFPCVGSQKRQMLGNGPGLHPYVERAAQRCTEMFPTLLAQQGWLDNKDNWIRILKLIPDEDSVKASVAKDFEKFASPADRWRSLELIEASQQLPESCKFFIKGIVLSLCYPRLDVNVTRGVNHLLKGPFCVHPKTGKICVPIDMSNLDAFNPESVPRLDELRCELFELDRNKTEDGSNTAEPVGAKPLDYKRTTLQPYIAVFDRFISSMSSILPSANQAHSLQKLEANIT
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	38.5	Very low	53.2	Low	216 Å²	216	119.9 Å²	119.9	100%	1.064	61%	0.614	S	S	*	*				0	127.3	0	-65.2	171.7	72.6	0	0	105.8
2	S	37.1	Very low	55.1	Low	75 Å²	75	117.1 Å²	117.1	52%	0.524	62%	0.622	S	S	.	*			trans	-72.6	152.7	-175.3	28.8	0	0	0	0	111.6	D4	S2-D4 PolarHBondContact O-N 2.75Å
3	S	45.4	Very low	56.8	Low	92 Å²	92	113.8 Å²	113.8	64%	0.643	60%	0.599	S	S	*	*	G	3₁₀ helix	trans	-67.4	-15.1	-177.5	38.5	0	0	0	0	114.9
4	D	47.5	Very low	58.6	Low	141 Å²	141	110.7 Å²	110.7	75%	0.754	59%	0.592	S	S	*	*	G	3₁₀ helix	trans	-100.2	10.3	-154.4	-50.3	-18.8	0	0	0	114.1	S2	S2-D4 PolarHBondContact O-N 2.75Å
5	E	51.6	Low	60.2	Low	149 Å²	149	104.6 Å²	104.6	70%	0.696	56%	0.559	S	S	*	*	G	3₁₀ helix	trans	-110.3	-0.6	-174.1	-68.6	-170.2	150.4	0	0	115.4
6	Y	54	Low	61.7	Low	111 Å²	111	103.1 Å²	103.1	44%	0.435	56%	0.555	S	S	.	*			trans	-105.7	91.4	-178.4	-67.5	-75.9	0	0	0	112.3	V37 K41	Y6-V37 HydrophobicContact CG-CG1 4.11Å; Y6-K41 HydrophobicContact CE1-CD 4.27Å
7	E	56.1	Low	63	Low	118 Å²	118	107.9 Å²	107.9	55%	0.551	56%	0.563	S	S	*	*			trans	-68.8	130.7	162.4	-69.5	170.6	144.6	0	0	109.9	D9 K10	E7-D9 PolarHBondContact O-N 2.93Å; E7-D9 VanDerWaalsContact O-N 3.07Å; E7-K10 HydrophobicContact CB-CD 4.48Å; E7-K10 PolarHBondContact O-N 3.04Å; E7-K10 VanDerWaalsContact O-N 3.07Å; E7-K10 VanDerWaalsContact OE2-CE 3.25Å; E7-K10 WeakPolarHBondContact OE2-CE 3.39Å; E7-K10 IonicContact OE2-NZ 3.92Å; E7-K10 PolarHBondContact OE2-NZ 3.32Å
8	D	57	Low	64.3	Low	82 Å²	82	102.6 Å²	102.6	44%	0.439	54%	0.535	S	S	.	.	G	3₁₀ helix	trans	-52.9	-30.7	178.9	-88.7	4.6	0	0	0	112.9	K10 L11 I15 H33	D8-K10 PolarHBondContact O-N 3Å; D8-K10 VanDerWaalsContact O-N 3.15Å; D8-L11 PolarHBondContact O-N 3.46Å; D8-I15 HydrophobicContact CB-CD1 3.89Å; D8-I15 WeakPolarHBondContact OD1-CD1 3.33Å; D8-I15 WeakPolarHBondContact OD2-CD1 3.28Å; D8-H33 IonicContact OD1-CE1 3.39Å; D8-H33 PolarHBondContact OD1-CE1 3.39Å; D8-H33 IonicContact OD1-NE2 3.15Å; D8-H33 IonicContact OD2-NE2 2.9Å
9	D	60.1	Low	65.6	Low	162 Å²	162	100.8 Å²	100.8	87%	0.866	52%	0.521	S	S	*	.	G	3₁₀ helix	trans	-68.9	-5.9	-179.2	-66.9	-25.1	0	0	0	114.6	E7	E7-D9 PolarHBondContact O-N 2.93Å; E7-D9 VanDerWaalsContact O-N 3.07Å
10	K	67.6	Low	66.6	Low	145 Å²	145	100.6 Å²	100.6	63%	0.63	52%	0.521	S	S	*	.	G	3₁₀ helix	trans	-104.5	1.9	-178.6	-73.2	172.4	177.5	152.6	0	114.9	E7 D8	E7-K10 HydrophobicContact CB-CD 4.48Å; E7-K10 PolarHBondContact O-N 3.04Å; E7-K10 VanDerWaalsContact O-N 3.07Å; E7-K10 VanDerWaalsContact OE2-CE 3.25Å; E7-K10 WeakPolarHBondContact OE2-CE 3.39Å; E7-K10 IonicContact OE2-NZ 3.92Å; E7-K10 PolarHBondContact OE2-NZ 3.32Å; D8-K10 PolarHBondContact O-N 3Å; D8-K10 VanDerWaalsContact O-N 3.15Å
11	L	70.5	Confident	67.6	Low	28 Å²	28	100.9 Å²	100.9	15%	0.147	52%	0.522	C	S	.	.			trans	-90.6	133.6	177	-71.2	168.4	0	0	0	111.7	D8 F13 I15 V37 A40 K41 E44	D8-L11 PolarHBondContact O-N 3.46Å; L11-F13 VanDerWaalsContact C-N 3.34Å; L11-I15 HydrophobicContact CD1-CD1 3.94Å; L11-I15 HydrophobicContact CD1-CG1 3.88Å; L11-V37 HydrophobicContact CD1-CG1 4.34Å; L11-V37 HydrophobicContact CD1-CG2 4.37Å; L11-A40 HydrophobicContact CD1-CB 4.05Å; L11-A40 HydrophobicContact CD2-CB 3.86Å; L11-A40 HydrophobicContact CG-CB 4.47Å; L11-K41 HydrophobicContact CD2-CD 4.41Å; L11-E44 WeakPolarHBondContact CA-OE1 3.49Å
12	A	75.6	Confident	69.9	Low	86 Å²	86	91.9 Å²	91.9	71%	0.711	48%	0.478	S	S	*	.	S	Bend	trans	-77.2	-21.1	176.7	0	0	0	0	0	112.8	E44	A12-E44 HydrophobicContact CB-CG 4.27Å; A12-E44 PolarHBondContact N-OE1 3.48Å
13	F	77.4	Confident	72.2	Confident	74 Å²	74	94.7 Å²	94.7	33%	0.325	48%	0.48	S	S	.	.	S	Bend	trans	-103.5	134.6	176.1	-67.8	-74.6	0	0	0	112.6	L11 I15 I18 T43 E44 I47	L11-F13 VanDerWaalsContact C-N 3.34Å; F13-I15 PolarHBondContact O-N 3.1Å; F13-I15 VanDerWaalsContact O-N 3.08Å; F13-I18 HydrophobicContact CB-CD1 3.53Å; F13-I18 HydrophobicContact CB-CG1 4.26Å; F13-I18 HydrophobicContact CG-CD1 4.12Å; F13-T43 HydrophobicContact CD2-CG2 4.17Å; F13-T43 HydrophobicContact CE2-CG2 3.91Å; F13-T43 HydrophobicContact CZ-CG2 4.21Å; F13-E44 HydrophobicContact CD2-CG 3.57Å; F13-E44 HydrophobicContact CE2-CB 4.44Å; F13-E44 HydrophobicContact CE2-CG 3.65Å; F13-I47 HydrophobicContact CE1-CD1 4.31Å; F13-I47 HydrophobicContact CE2-CD1 4.02Å; F13-I47 HydrophobicContact CZ-CD1 3.43Å; F13-I47 VanDerWaalsContact CZ-CD1 3.43Å
14	S	82.8	Confident	74.1	Confident	71 Å²	71	94.9 Å²	94.9	50%	0.497	48%	0.482	S	S	.	.			trans	-57.5	115.1	172.5	177.4	0	0	0	0	111.3	T16 R17 I18	S14-T16 PolarHBondContact O-N 2.97Å; S14-R17 WeakPolarHBondContact O-CA 3.38Å; S14-R17 WeakPolarHBondContact O-CB 3.37Å; S14-R17 PolarHBondContact O-N 3.38Å; S14-I18 PolarHBondContact O-N 2.99Å
15	I	82.4	Confident	75.8	Confident	19 Å²	19	90.2 Å²	90.2	10%	0.097	46%	0.46	C	S	.	.	H	α-helix	trans	-51.3	-40.3	174.3	-60.4	177.1	0	0	0	110.7	D8 L11 F13 R17 I18 R19 V36	D8-I15 HydrophobicContact CB-CD1 3.89Å; D8-I15 WeakPolarHBondContact OD1-CD1 3.33Å; D8-I15 WeakPolarHBondContact OD2-CD1 3.28Å; L11-I15 HydrophobicContact CD1-CD1 3.94Å; L11-I15 HydrophobicContact CD1-CG1 3.88Å; F13-I15 PolarHBondContact O-N 3.1Å; F13-I15 VanDerWaalsContact O-N 3.08Å; I15-R17 PolarHBondContact O-N 3.07Å; I15-I18 PolarHBondContact O-N 3.15Å; I15-R19 VanDerWaalsContact CG2-NH2 3.26Å; I15-R19 WeakPolarHBondContact O-CB 3.35Å; I15-R19 PolarHBondContact O-N 3.18Å; I15-V36 HydrophobicContact CB-CG1 4.42Å; I15-V36 HydrophobicContact CG2-CB 4.37Å; I15-V36 HydrophobicContact CG2-CG1 3.59Å; I15-V36 WeakPolarHBondContact O-CG1 3.42Å
16	T	84	Confident	77.1	Confident	81 Å²	81	89.4 Å²	89.4	50%	0.497	47%	0.468	S	S	.	.	H	α-helix	trans	-62.1	-40.8	175.8	-57.8	0	0	0	0	112.5	S14 N20	S14-T16 PolarHBondContact O-N 2.97Å; T16-N20 PolarHBondContact O-N 3.24Å; T16-N20 PolarHBondContact O-ND2 2.89Å; T16-N20 PolarHBondContact O-OD1 2.82Å
17	R	84.2	Confident	78.4	Confident	185 Å²	185	92.6 Å²	92.6	70%	0.698	49%	0.487	S	S	*	.	H	α-helix	trans	-69.8	-42.9	179.4	-168.5	170.3	-177.9	162.6	-0.8	111.6	S14 I15 N20 I21	S14-R17 WeakPolarHBondContact O-CA 3.38Å; S14-R17 WeakPolarHBondContact O-CB 3.37Å; S14-R17 PolarHBondContact O-N 3.38Å; I15-R17 PolarHBondContact O-N 3.07Å; R17-N20 PolarHBondContact O-N 2.99Å; R17-I21 HydrophobicContact CG-CD1 4.4Å; R17-I21 WeakPolarHBondContact O-CG1 3.49Å; R17-I21 PolarHBondContact O-N 3.17Å
18	I	86.4	Confident	79.4	Confident	12 Å²	12	90.3 Å²	90.3	6%	0.062	48%	0.477	C	S	.	.	H	α-helix	trans	-67.3	-41.7	176.8	-69	-173.5	0	0	0	111.1	F13 S14 I15 N20 I21 M22 V36 M39 A40	F13-I18 HydrophobicContact CB-CD1 3.53Å; F13-I18 HydrophobicContact CB-CG1 4.26Å; F13-I18 HydrophobicContact CG-CD1 4.12Å; S14-I18 PolarHBondContact O-N 2.99Å; I15-I18 PolarHBondContact O-N 3.15Å; I18-N20 VanDerWaalsContact C-N 3.26Å; I18-N20 PolarHBondContact O-N 3.5Å; I18-I21 PolarHBondContact O-N 2.9Å; I18-I21 VanDerWaalsContact O-N 3.15Å; I18-M22 HydrophobicContact CG2-CG 4.33Å; I18-M22 HydrophobicContact CG2-SD 3.96Å; I18-M22 WeakPolarHBondContact O-CG 3.36Å; I18-M22 PolarHBondContact O-N 3.29Å; I18-V36 HydrophobicContact CB-CG1 4.26Å; I18-V36 HydrophobicContact CG2-CG1 4.02Å; I18-M39 HydrophobicContact CG2-CB 3.94Å; I18-M39 HydrophobicContact CG2-CG 3.75Å; I18-A40 VanDerWaalsContact CD1-CA 3.43Å; I18-A40 HydrophobicContact CD1-CB 3.66Å
19	R	88.2	Confident	80.2	Confident	68 Å²	68	90.5 Å²	90.5	26%	0.257	50%	0.499	S	S	.	.	H	α-helix	trans	-56.6	-39	172.3	-173	179.7	-67.5	122.4	-2.5	112.2	I15 K23 V36	I15-R19 VanDerWaalsContact CG2-NH2 3.26Å; I15-R19 WeakPolarHBondContact O-CB 3.35Å; I15-R19 PolarHBondContact O-N 3.18Å; R19-K23 WeakPolarHBondContact O-CB 3.46Å; R19-K23 VanDerWaalsContact O-CG 3.26Å; R19-K23 WeakPolarHBondContact O-CG 3.47Å; R19-K23 PolarHBondContact O-N 3.18Å; R19-V36 HydrophobicContact CB-CG1 4.13Å; R19-V36 HydrophobicContact CB-CG2 4.17Å; R19-V36 HydrophobicContact CG-CG2 4.28Å
20	N	86.5	Confident	81.4	Confident	97 Å²	97	88 Å²	88	52%	0.519	49%	0.494	S	S	.	.	H	α-helix	trans	-70.4	-37.7	176.9	-71.4	-9.1	0	0	0	112.9	T16 R17 I18 K23 S24	T16-N20 PolarHBondContact O-N 3.24Å; T16-N20 PolarHBondContact O-ND2 2.89Å; T16-N20 PolarHBondContact O-OD1 2.82Å; R17-N20 PolarHBondContact O-N 2.99Å; I18-N20 VanDerWaalsContact C-N 3.26Å; I18-N20 PolarHBondContact O-N 3.5Å; N20-K23 PolarHBondContact O-N 3.18Å; N20-S24 PolarHBondContact O-N 3.15Å; N20-S24 VanDerWaalsContact O-N 3.15Å
21	I	86.5	Confident	82.1	Confident	106 Å²	106	83.1 Å²	83.1	54%	0.544	47%	0.474	S	S	.	.	H	α-helix	trans	-66.4	-44.3	174.5	-66.4	163.8	0	0	0	110.7	R17 I18 K23 S24	R17-I21 HydrophobicContact CG-CD1 4.4Å; R17-I21 WeakPolarHBondContact O-CG1 3.49Å; R17-I21 PolarHBondContact O-N 3.17Å; I18-I21 PolarHBondContact O-N 2.9Å; I18-I21 VanDerWaalsContact O-N 3.15Å; I21-K23 VanDerWaalsContact C-N 3.27Å; I21-K23 PolarHBondContact O-N 2.94Å; I21-S24 PolarHBondContact O-N 2.88Å; I21-S24 VanDerWaalsContact O-N 3.11Å; I21-S24 PolarHBondContact O-OG 2.87Å
22	M	86.9	Confident	83	Confident	28 Å²	28	85 Å²	85	14%	0.138	49%	0.49	C	S	.	.	H	α-helix	trans	-62.6	-36.3	175.2	-66.6	174.3	77.6	0	0	111.5	I18 S24 S25 I31 A35 V36 M39	I18-M22 HydrophobicContact CG2-CG 4.33Å; I18-M22 HydrophobicContact CG2-SD 3.96Å; I18-M22 WeakPolarHBondContact O-CG 3.36Å; I18-M22 PolarHBondContact O-N 3.29Å; M22-S24 VanDerWaalsContact C-N 3.29Å; M22-S24 PolarHBondContact O-N 2.71Å; M22-S25 PolarHBondContact O-N 2.92Å; M22-I31 HydrophobicContact CB-CD1 3.53Å; M22-I31 HydrophobicContact CE-CG2 3.59Å; M22-I31 HydrophobicContact SD-CG2 4.17Å; M22-A35 HydrophobicContact CE-CB 4.22Å; M22-V36 HydrophobicContact SD-CG2 4.15Å; M22-M39 HydrophobicContact CE-CB 4.39Å; M22-M39 HydrophobicContact CG-CG 4.36Å; M22-M39 HydrophobicContact SD-CB 3.86Å; M22-M39 HydrophobicContact SD-CG 4Å
23	K	85.7	Confident	83.5	Confident	134 Å²	134	85 Å²	85	58%	0.583	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72	-12	174.3	-77.2	-177.2	176.5	-171.2	0	115.1	R19 N20 I21 S25 I31	R19-K23 WeakPolarHBondContact O-CB 3.46Å; R19-K23 VanDerWaalsContact O-CG 3.26Å; R19-K23 WeakPolarHBondContact O-CG 3.47Å; R19-K23 PolarHBondContact O-N 3.18Å; N20-K23 PolarHBondContact O-N 3.18Å; I21-K23 VanDerWaalsContact C-N 3.27Å; I21-K23 PolarHBondContact O-N 2.94Å; K23-S25 VanDerWaalsContact C-N 3.28Å; K23-I31 HydrophobicContact CG-CD1 3.65Å
24	S	85.7	Confident	83.9	Confident	96 Å²	96	86.2 Å²	86.2	67%	0.671	49%	0.485	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.2	-8.1	174.8	68	0	0	0	0	113.2	N20 I21 M22	N20-S24 PolarHBondContact O-N 3.15Å; N20-S24 VanDerWaalsContact O-N 3.15Å; I21-S24 PolarHBondContact O-N 2.88Å; I21-S24 VanDerWaalsContact O-N 3.11Å; I21-S24 PolarHBondContact O-OG 2.87Å; M22-S24 VanDerWaalsContact C-N 3.29Å; M22-S24 PolarHBondContact O-N 2.71Å
25	S	82	Confident	84.1	Confident	42 Å²	42	84.5 Å²	84.5	29%	0.294	48%	0.475	S	S	.	.	S	Bend	trans	-78.3	122.9	167.5	-178.6	0	0	0	0	110.2	M22 K23 E27 I28	M22-S25 PolarHBondContact O-N 2.92Å; K23-S25 VanDerWaalsContact C-N 3.28Å; S25-E27 PolarHBondContact O-N 3.4Å; S25-E27 VanDerWaalsContact O-N 3.14Å; S25-I28 PolarHBondContact O-N 3.09Å
26	P	79.4	Confident	84.4	Confident	133 Å²	133	83.6 Å²	83.6	86%	0.864	47%	0.47	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.3	-11.6	179.3	28.9	-35.2	0	0	0	113.5
27	E	82.3	Confident	84.5	Confident	178 Å²	178	80.3 Å²	80.3	83%	0.832	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.9	-9.3	-179.2	-58.5	-177.2	170.1	0	0	113.2	S25	S25-E27 PolarHBondContact O-N 3.4Å; S25-E27 VanDerWaalsContact O-N 3.14Å
28	I	76.8	Confident	84.6	Confident	70 Å²	70	75.5 Å²	75.5	36%	0.359	44%	0.441	S	S	.	.			trans	-103.6	92.2	-170.1	-61.9	-175	0	0	0	111.1	S25 I31	S25-I28 PolarHBondContact O-N 3.09Å; I28-I31 HydrophobicContact CG2-CD1 3.87Å; I28-I31 HydrophobicContact CG2-CG1 3.35Å
29	G	74.5	Confident	84.7	Confident	86 Å²	86	79 Å²	79	89%	0.887	46%	0.458	S	S	*	.	S	Bend	trans	-73.9	-27.4	-178.9	0	0	0	0	0	115.5
30	S	83.5	Confident	84.6	Confident	110 Å²	110	75.8 Å²	75.8	77%	0.769	45%	0.446	S	S	*	.			trans	-154.8	156.5	173.2	70.5	0	0	0	0	110.9
31	I	83.7	Confident	84.6	Confident	42 Å²	42	74.4 Å²	74.4	22%	0.215	44%	0.436	C	S	.	.			trans	-137.2	123.4	-177	-50.6	164.9	0	0	0	108.2	M22 K23 I28 A35 V36	M22-I31 HydrophobicContact CB-CD1 3.53Å; M22-I31 HydrophobicContact CE-CG2 3.59Å; M22-I31 HydrophobicContact SD-CG2 4.17Å; K23-I31 HydrophobicContact CG-CD1 3.65Å; I28-I31 HydrophobicContact CG2-CD1 3.87Å; I28-I31 HydrophobicContact CG2-CG1 3.35Å; I31-A35 HydrophobicContact CG2-CB 3.96Å; I31-V36 HydrophobicContact CG2-CG2 3.61Å
32	S	88.2	Confident	84.7	Confident	68 Å²	68	72.7 Å²	72.7	48%	0.476	43%	0.432	S	S	.	.			trans	-71.7	159.7	173.7	63.1	0	0	0	0	111.5	D34 A35 V36	S32-D34 VanDerWaalsContact C-N 3.32Å; S32-D34 PolarHBondContact O-N 3.47Å; S32-A35 PolarHBondContact O-N 3.18Å; S32-A35 VanDerWaalsContact OG-CB 3.31Å; S32-A35 WeakPolarHBondContact OG-CB 3.37Å; S32-A35 PolarHBondContact OG-N 3.38Å; S32-V36 PolarHBondContact O-N 2.93Å
33	H	85.9	Confident	84.7	Confident	84 Å²	84	73.4 Å²	73.4	39%	0.389	44%	0.438	S	S	.	.	H	α-helix	trans	-57.2	-49.5	174.7	-164.1	-95.7	0	0	0	111.1	D8 A35 V36 V37	D8-H33 IonicContact OD1-CE1 3.39Å; D8-H33 PolarHBondContact OD1-CE1 3.39Å; D8-H33 IonicContact OD1-NE2 3.15Å; D8-H33 IonicContact OD2-NE2 2.9Å; H33-A35 VanDerWaalsContact C-N 3.25Å; H33-A35 PolarHBondContact O-N 3.3Å; H33-V36 WeakPolarHBondContact O-CA 3.4Å; H33-V36 WeakPolarHBondContact O-CB 3.39Å; H33-V36 PolarHBondContact O-N 3.06Å; H33-V37 PolarHBondContact O-N 3.21Å
34	D	86	Confident	84.7	Confident	101 Å²	101	68.1 Å²	68.1	54%	0.54	42%	0.416	S	S	.	.	H	α-helix	trans	-57.4	-35.5	-179.8	-46	-15.4	0	0	0	112.6	S32 V37 T38	S32-D34 VanDerWaalsContact C-N 3.32Å; S32-D34 PolarHBondContact O-N 3.47Å; D34-V37 PolarHBondContact O-N 3.38Å; D34-T38 WeakPolarHBondContact O-CB 3.5Å; D34-T38 PolarHBondContact O-N 2.77Å; D34-T38 PolarHBondContact O-OG1 3.29Å
35	A	87.6	Confident	84.8	Confident	34 Å²	34	68 Å²	68	28%	0.281	41%	0.407	S	S	.	.	H	α-helix	trans	-67.3	-36.7	175.9	0	0	0	0	0	112.1	M22 I31 S32 H33 M39	M22-A35 HydrophobicContact CE-CB 4.22Å; I31-A35 HydrophobicContact CG2-CB 3.96Å; S32-A35 PolarHBondContact O-N 3.18Å; S32-A35 VanDerWaalsContact OG-CB 3.31Å; S32-A35 WeakPolarHBondContact OG-CB 3.37Å; S32-A35 PolarHBondContact OG-N 3.38Å; H33-A35 VanDerWaalsContact C-N 3.25Å; H33-A35 PolarHBondContact O-N 3.3Å; A35-M39 VanDerWaalsContact O-CB 3.24Å; A35-M39 WeakPolarHBondContact O-CB 3.48Å; A35-M39 PolarHBondContact O-N 3.19Å
36	V	87.8	Confident	85.1	Confident	0 Å²	0	69.7 Å²	69.7	0%	0	41%	0.409	C	S	.	.	H	α-helix	trans	-70.2	-44.4	175	-173.2	0	0	0	0	110.9	I15 I18 R19 M22 I31 S32 H33 M39 A40	I15-V36 HydrophobicContact CB-CG1 4.42Å; I15-V36 HydrophobicContact CG2-CB 4.37Å; I15-V36 HydrophobicContact CG2-CG1 3.59Å; I15-V36 WeakPolarHBondContact O-CG1 3.42Å; I18-V36 HydrophobicContact CB-CG1 4.26Å; I18-V36 HydrophobicContact CG2-CG1 4.02Å; R19-V36 HydrophobicContact CB-CG1 4.13Å; R19-V36 HydrophobicContact CB-CG2 4.17Å; R19-V36 HydrophobicContact CG-CG2 4.28Å; M22-V36 HydrophobicContact SD-CG2 4.15Å; I31-V36 HydrophobicContact CG2-CG2 3.61Å; S32-V36 PolarHBondContact O-N 2.93Å; H33-V36 WeakPolarHBondContact O-CA 3.4Å; H33-V36 WeakPolarHBondContact O-CB 3.39Å; H33-V36 PolarHBondContact O-N 3.06Å; V36-M39 PolarHBondContact O-N 3.35Å; V36-A40 WeakPolarHBondContact O-CB 3.48Å; V36-A40 PolarHBondContact O-N 2.91Å
37	V	85.9	Confident	85.5	Confident	12 Å²	12	66.3 Å²	66.3	7%	0.073	38%	0.383	C	S	.	.	H	α-helix	trans	-62.1	-45.4	176.9	170.9	0	0	0	0	111.1	Y6 L11 H33 D34 A40 K41	Y6-V37 HydrophobicContact CG-CG1 4.11Å; L11-V37 HydrophobicContact CD1-CG1 4.34Å; L11-V37 HydrophobicContact CD1-CG2 4.37Å; H33-V37 PolarHBondContact O-N 3.21Å; D34-V37 PolarHBondContact O-N 3.38Å; V37-A40 WeakPolarHBondContact O-CB 3.44Å; V37-A40 PolarHBondContact O-N 2.8Å; V37-K41 PolarHBondContact O-N 2.79Å
38	T	86.8	Confident	85.7	Confident	84 Å²	84	62 Å²	62	52%	0.515	36%	0.363	S	S	.	.	H	α-helix	trans	-61.7	-45.4	175.8	-57.9	0	0	0	0	110.9	D34 A40 K41 C42	D34-T38 WeakPolarHBondContact O-CB 3.5Å; D34-T38 PolarHBondContact O-N 2.77Å; D34-T38 PolarHBondContact O-OG1 3.29Å; T38-A40 VanDerWaalsContact C-N 3.32Å; T38-A40 PolarHBondContact O-N 3.49Å; T38-K41 PolarHBondContact O-N 3.2Å; T38-C42 WeakPolarHBondContact O-CB 3.4Å; T38-C42 PolarHBondContact O-N 3.36Å; T38-C42 PolarHBondContact O-SG 3.04Å
39	M	88.8	Confident	86.2	Confident	86 Å²	86	62.3 Å²	62.3	42%	0.424	37%	0.371	S	S	.	.	H	α-helix	trans	-63.1	-38.5	177.5	-172	58.9	64.9	0	0	112	I18 M22 A35 V36 T43	I18-M39 HydrophobicContact CG2-CB 3.94Å; I18-M39 HydrophobicContact CG2-CG 3.75Å; M22-M39 HydrophobicContact CE-CB 4.39Å; M22-M39 HydrophobicContact CG-CG 4.36Å; M22-M39 HydrophobicContact SD-CB 3.86Å; M22-M39 HydrophobicContact SD-CG 4Å; A35-M39 VanDerWaalsContact O-CB 3.24Å; A35-M39 WeakPolarHBondContact O-CB 3.48Å; A35-M39 PolarHBondContact O-N 3.19Å; V36-M39 PolarHBondContact O-N 3.35Å; M39-T43 WeakPolarHBondContact O-CB 3.35Å; M39-T43 PolarHBondContact O-N 3.49Å; M39-T43 PolarHBondContact O-OG1 3.49Å
40	A	86.5	Confident	86.8	Confident	0 Å²	0	59.1 Å²	59.1	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-59.7	-50.7	173	0	0	0	0	0	111.5	L11 I18 V36 V37 T38 C42 T43 E44	L11-A40 HydrophobicContact CD1-CB 4.05Å; L11-A40 HydrophobicContact CD2-CB 3.86Å; L11-A40 HydrophobicContact CG-CB 4.47Å; I18-A40 VanDerWaalsContact CD1-CA 3.43Å; I18-A40 HydrophobicContact CD1-CB 3.66Å; V36-A40 WeakPolarHBondContact O-CB 3.48Å; V36-A40 PolarHBondContact O-N 2.91Å; V37-A40 WeakPolarHBondContact O-CB 3.44Å; V37-A40 PolarHBondContact O-N 2.8Å; T38-A40 VanDerWaalsContact C-N 3.32Å; T38-A40 PolarHBondContact O-N 3.49Å; A40-C42 PolarHBondContact O-N 2.96Å; A40-T43 WeakPolarHBondContact O-CB 3.49Å; A40-T43 PolarHBondContact O-N 3.28Å; A40-T43 VanDerWaalsContact O-N 3.13Å; A40-E44 WeakPolarHBondContact O-CG 3.36Å; A40-E44 PolarHBondContact O-N 3.1Å
41	K	85.5	Confident	86.9	Confident	69 Å²	69	57.6 Å²	57.6	30%	0.3	32%	0.317	S	S	.	.	H	α-helix	trans	-64.8	-39.3	179.3	-160.2	72.8	-152.3	165	0	113	Y6 L11 V37 T38 T43 E44 L45	Y6-K41 HydrophobicContact CE1-CD 4.27Å; L11-K41 HydrophobicContact CD2-CD 4.41Å; V37-K41 PolarHBondContact O-N 2.79Å; T38-K41 PolarHBondContact O-N 3.2Å; K41-T43 VanDerWaalsContact C-N 3.31Å; K41-T43 PolarHBondContact O-N 3.14Å; K41-E44 WeakPolarHBondContact CD-OE2 3.43Å; K41-E44 WeakPolarHBondContact CE-OE2 3.4Å; K41-E44 IonicContact NZ-OE2 2.84Å; K41-E44 PolarHBondContact NZ-OE2 3.43Å; K41-E44 PolarHBondContact O-N 3.32Å; K41-L45 HydrophobicContact CG-CD1 4.36Å; K41-L45 WeakPolarHBondContact O-CG 3.42Å; K41-L45 PolarHBondContact O-N 3.03Å
42	C	88.5	Confident	87	Confident	69 Å²	69	62.9 Å²	62.9	47%	0.466	33%	0.334	S	S	.	.	H	α-helix	trans	-61.8	-38.5	173	-71.9	0	0	0	0	112.1	T38 A40 F46	T38-C42 WeakPolarHBondContact O-CB 3.4Å; T38-C42 PolarHBondContact O-N 3.36Å; T38-C42 PolarHBondContact O-SG 3.04Å; A40-C42 PolarHBondContact O-N 2.96Å; C42-F46 VanDerWaalsContact O-CB 3.27Å; C42-F46 WeakPolarHBondContact O-CB 3.43Å; C42-F46 PolarHBondContact O-N 2.97Å
43	T	87.2	Confident	86.8	Confident	43 Å²	43	61.6 Å²	61.6	26%	0.264	33%	0.325	S	S	.	.	H	α-helix	trans	-67	-41.1	177.5	-55.9	0	0	0	0	111.6	F13 M39 A40 K41 F46 I47	F13-T43 HydrophobicContact CD2-CG2 4.17Å; F13-T43 HydrophobicContact CE2-CG2 3.91Å; F13-T43 HydrophobicContact CZ-CG2 4.21Å; M39-T43 WeakPolarHBondContact O-CB 3.35Å; M39-T43 PolarHBondContact O-N 3.49Å; M39-T43 PolarHBondContact O-OG1 3.49Å; A40-T43 WeakPolarHBondContact O-CB 3.49Å; A40-T43 PolarHBondContact O-N 3.28Å; A40-T43 VanDerWaalsContact O-N 3.13Å; K41-T43 VanDerWaalsContact C-N 3.31Å; K41-T43 PolarHBondContact O-N 3.14Å; T43-F46 PolarHBondContact O-N 3.19Å; T43-I47 HydrophobicContact CG2-CD1 3.94Å; T43-I47 WeakPolarHBondContact O-CG1 3.29Å; T43-I47 PolarHBondContact O-N 2.98Å
44	E	85.4	Confident	86.8	Confident	24 Å²	24	57.6 Å²	57.6	11%	0.112	31%	0.306	C	S	.	.	H	α-helix	trans	-59.8	-52.2	173.3	-67.2	172.4	-171.8	0	0	111.8	L11 A12 F13 A40 K41 F46 I47 E48	L11-E44 WeakPolarHBondContact CA-OE1 3.49Å; A12-E44 HydrophobicContact CB-CG 4.27Å; A12-E44 PolarHBondContact N-OE1 3.48Å; F13-E44 HydrophobicContact CD2-CG 3.57Å; F13-E44 HydrophobicContact CE2-CB 4.44Å; F13-E44 HydrophobicContact CE2-CG 3.65Å; A40-E44 WeakPolarHBondContact O-CG 3.36Å; A40-E44 PolarHBondContact O-N 3.1Å; K41-E44 WeakPolarHBondContact CD-OE2 3.43Å; K41-E44 WeakPolarHBondContact CE-OE2 3.4Å; K41-E44 IonicContact NZ-OE2 2.84Å; K41-E44 PolarHBondContact NZ-OE2 3.43Å; K41-E44 PolarHBondContact O-N 3.32Å; E44-F46 VanDerWaalsContact C-N 3.29Å; E44-F46 PolarHBondContact O-N 3.33Å; E44-I47 PolarHBondContact O-N 3.38Å; E44-E48 WeakPolarHBondContact O-CB 3.45Å; E44-E48 PolarHBondContact O-N 3.09Å
45	L	87.6	Confident	86.6	Confident	93 Å²	93	57.8 Å²	57.8	49%	0.487	30%	0.3	S	S	.	.	H	α-helix	trans	-63.2	-36	-179.3	-68.6	170.2	0	0	0	112.1	K41 S49	K41-L45 HydrophobicContact CG-CD1 4.36Å; K41-L45 WeakPolarHBondContact O-CG 3.42Å; K41-L45 PolarHBondContact O-N 3.03Å; L45-S49 VanDerWaalsContact O-CB 3.27Å; L45-S49 WeakPolarHBondContact O-CB 3.24Å; L45-S49 PolarHBondContact O-N 3.44Å
46	F	90	Very high	86.2	Confident	77 Å²	77	64 Å²	64	34%	0.338	32%	0.323	S	S	.	.	H	α-helix	trans	-64.2	-48.1	174.5	179.1	-99.3	0	0	0	111.9	C42 T43 E44 S49 L50 L79 Y81 L82	C42-F46 VanDerWaalsContact O-CB 3.27Å; C42-F46 WeakPolarHBondContact O-CB 3.43Å; C42-F46 PolarHBondContact O-N 2.97Å; T43-F46 PolarHBondContact O-N 3.19Å; E44-F46 VanDerWaalsContact C-N 3.29Å; E44-F46 PolarHBondContact O-N 3.33Å; F46-S49 PolarHBondContact O-N 3.47Å; F46-L50 HydrophobicContact CE1-CD2 4.38Å; F46-L50 WeakPolarHBondContact O-CB 3.37Å; F46-L50 PolarHBondContact O-N 2.97Å; F46-L79 HydrophobicContact CE2-CD2 3.79Å; F46-L79 HydrophobicContact CZ-CD2 3.81Å; F46-Y81 WeakPolarHBondContact CZ-OH 3.25Å; F46-L82 HydrophobicContact CE1-CD1 4.16Å; F46-L82 HydrophobicContact CZ-CD1 3.82Å
47	I	87.1	Confident	85.4	Confident	63 Å²	63	69.6 Å²	69.6	32%	0.323	35%	0.348	S	S	.	.	H	α-helix	trans	-66.6	-39.8	179.1	-71.6	167.2	0	0	0	110.9	F13 T43 E44 S49 L50 L51	F13-I47 HydrophobicContact CE1-CD1 4.31Å; F13-I47 HydrophobicContact CE2-CD1 4.02Å; F13-I47 HydrophobicContact CZ-CD1 3.43Å; F13-I47 VanDerWaalsContact CZ-CD1 3.43Å; T43-I47 HydrophobicContact CG2-CD1 3.94Å; T43-I47 WeakPolarHBondContact O-CG1 3.29Å; T43-I47 PolarHBondContact O-N 2.98Å; E44-I47 PolarHBondContact O-N 3.38Å; I47-S49 PolarHBondContact O-N 3.46Å; I47-L50 PolarHBondContact O-N 3.36Å; I47-L51 HydrophobicContact CG2-CD1 3.85Å; I47-L51 HydrophobicContact CG2-CG 4.32Å; I47-L51 WeakPolarHBondContact O-CB 3.48Å; I47-L51 VanDerWaalsContact O-CG 3.28Å; I47-L51 WeakPolarHBondContact O-CG 3.4Å; I47-L51 PolarHBondContact O-N 3.45Å
48	E	86.4	Confident	84.6	Confident	88 Å²	88	72.8 Å²	72.8	41%	0.411	36%	0.359	S	S	.	.	H	α-helix	trans	-61.5	-43.9	174.4	-163.2	-166.8	148.5	0	0	111.5	E44 L51 R52	E44-E48 WeakPolarHBondContact O-CB 3.45Å; E44-E48 PolarHBondContact O-N 3.09Å; E48-L51 PolarHBondContact O-N 2.99Å; E48-R52 WeakPolarHBondContact O-CB 3.43Å; E48-R52 WeakPolarHBondContact O-CG 3.38Å; E48-R52 PolarHBondContact O-N 3.23Å; E48-R52 IonicContact OE1-CZ 3.83Å; E48-R52 IonicContact OE1-NE 3.72Å; E48-R52 PolarHBondContact OE1-NE 3.07Å; E48-R52 IonicContact OE1-NH2 2.98Å; E48-R52 PolarHBondContact OE1-NH2 3.47Å
49	S	86.5	Confident	83.6	Confident	76 Å²	76	74 Å²	74	53%	0.531	38%	0.377	S	S	.	.	H	α-helix	trans	-62.7	-44.2	175.5	-173.2	0	0	0	0	112.3	L45 F46 I47 R52 S53	L45-S49 VanDerWaalsContact O-CB 3.27Å; L45-S49 WeakPolarHBondContact O-CB 3.24Å; L45-S49 PolarHBondContact O-N 3.44Å; F46-S49 PolarHBondContact O-N 3.47Å; I47-S49 PolarHBondContact O-N 3.46Å; S49-R52 PolarHBondContact O-N 3.49Å; S49-S53 PolarHBondContact O-N 2.94Å
50	L	87.3	Confident	82.4	Confident	19 Å²	19	73.9 Å²	73.9	10%	0.099	38%	0.378	C	S	.	.	H	α-helix	trans	-63.3	-44.8	177.3	-178.1	61.1	0	0	0	111.7	F46 I47 S53 A54 V69 A72 V73 L79 I86	F46-L50 HydrophobicContact CE1-CD2 4.38Å; F46-L50 WeakPolarHBondContact O-CB 3.37Å; F46-L50 PolarHBondContact O-N 2.97Å; I47-L50 PolarHBondContact O-N 3.36Å; L50-S53 WeakPolarHBondContact O-CB 3.44Å; L50-S53 PolarHBondContact O-N 3.36Å; L50-A54 PolarHBondContact O-N 2.69Å; L50-V69 HydrophobicContact CD1-CG1 4.44Å; L50-V69 HydrophobicContact CD2-CG1 3.92Å; L50-V69 HydrophobicContact CG-CG1 4.09Å; L50-A72 HydrophobicContact CD1-CB 4.09Å; L50-V73 HydrophobicContact CD1-CG2 4.15Å; L50-L79 HydrophobicContact CD1-CD1 3.8Å; L50-I86 HydrophobicContact CD2-CD1 4.42Å
51	L	86.7	Confident	81.2	Confident	78 Å²	78	77.8 Å²	77.8	41%	0.408	40%	0.404	S	S	.	.	H	α-helix	trans	-66.2	-38	176.1	-71.3	173.4	0	0	0	111.9	I47 E48 S53 A54 Y55 V64 V69	I47-L51 HydrophobicContact CG2-CD1 3.85Å; I47-L51 HydrophobicContact CG2-CG 4.32Å; I47-L51 WeakPolarHBondContact O-CB 3.48Å; I47-L51 VanDerWaalsContact O-CG 3.28Å; I47-L51 WeakPolarHBondContact O-CG 3.4Å; I47-L51 PolarHBondContact O-N 3.45Å; E48-L51 PolarHBondContact O-N 2.99Å; L51-S53 VanDerWaalsContact C-N 3.35Å; L51-A54 PolarHBondContact O-N 3.37Å; L51-Y55 WeakPolarHBondContact O-CB 3.32Å; L51-Y55 PolarHBondContact O-N 2.72Å; L51-V64 HydrophobicContact CD2-CG1 4.25Å; L51-V69 HydrophobicContact CD2-CG2 4.34Å
52	R	84.6	Confident	80.5	Confident	153 Å²	153	83.3 Å²	83.3	58%	0.577	43%	0.427	S	S	*	.	H	α-helix	trans	-62.2	-40.2	172.3	-76.1	168.7	178.7	-90.2	5.3	111.9	E48 S49 Y55 Q56	E48-R52 WeakPolarHBondContact O-CB 3.43Å; E48-R52 WeakPolarHBondContact O-CG 3.38Å; E48-R52 PolarHBondContact O-N 3.23Å; E48-R52 IonicContact OE1-CZ 3.83Å; E48-R52 IonicContact OE1-NE 3.72Å; E48-R52 PolarHBondContact OE1-NE 3.07Å; E48-R52 IonicContact OE1-NH2 2.98Å; E48-R52 PolarHBondContact OE1-NH2 3.47Å; S49-R52 PolarHBondContact O-N 3.49Å; R52-Y55 PolarHBondContact O-N 3.24Å; R52-Q56 WeakPolarHBondContact O-CG 3.46Å; R52-Q56 PolarHBondContact O-N 3.44Å
53	S	84.9	Confident	79.9	Confident	40 Å²	40	82.9 Å²	82.9	28%	0.28	42%	0.423	S	S	.	.	H	α-helix	trans	-65.4	-41.7	175.5	-175.9	0	0	0	0	112.5	S49 L50 L51	S49-S53 PolarHBondContact O-N 2.94Å; L50-S53 WeakPolarHBondContact O-CB 3.44Å; L50-S53 PolarHBondContact O-N 3.36Å; L51-S53 VanDerWaalsContact C-N 3.35Å
54	A	84.8	Confident	79.5	Confident	0 Å²	0	83 Å²	83	0%	0	42%	0.423	C	S	.	.	H	α-helix	trans	-65.6	-40.5	173	0	0	0	0	0	112.2	L50 L51 K57 V64 D68 V69 A72	L50-A54 PolarHBondContact O-N 2.69Å; L51-A54 PolarHBondContact O-N 3.37Å; A54-K57 PolarHBondContact O-N 3.41Å; A54-V64 HydrophobicContact CB-CG1 3.64Å; A54-D68 HydrophobicContact CB-CB 4.13Å; A54-V69 HydrophobicContact CB-CG2 4.17Å; A54-A72 HydrophobicContact CB-CB 4.07Å
55	Y	82.8	Confident	79.4	Confident	106 Å²	106	86.3 Å²	86.3	42%	0.416	44%	0.44	S	S	.	.	H	α-helix	trans	-65	-41.2	179.1	-173.6	-92.1	0	0	0	112.9	L51 R52 K57 R58 P61 V64	L51-Y55 WeakPolarHBondContact O-CB 3.32Å; L51-Y55 PolarHBondContact O-N 2.72Å; R52-Y55 PolarHBondContact O-N 3.24Å; Y55-K57 PolarHBondContact O-N 3.43Å; Y55-K57 VanDerWaalsContact O-N 3.07Å; Y55-R58 PolarHBondContact O-N 3.2Å; Y55-P61 VanDerWaalsContact CE2-O 3.26Å; Y55-P61 WeakPolarHBondContact CE2-O 3.46Å; Y55-P61 VanDerWaalsContact OH-CA 3.24Å; Y55-P61 WeakPolarHBondContact OH-CA 3.32Å; Y55-P61 WeakPolarHBondContact OH-CB 3.35Å; Y55-P61 PolarHBondContact OH-O 2.99Å; Y55-V64 HydrophobicContact CD2-CG2 4.01Å
56	Q	78.6	Confident	79.2	Confident	164 Å²	164	87.2 Å²	87.2	77%	0.766	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-17.4	178.4	-79.6	177.4	0.2	0	0	114.2	R52	R52-Q56 WeakPolarHBondContact O-CG 3.46Å; R52-Q56 PolarHBondContact O-N 3.44Å
57	K	71.3	Confident	78.9	Confident	117 Å²	117	86.9 Å²	86.9	51%	0.509	44%	0.439	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.2	-0.5	178.5	-64.3	-179.3	-177.9	-172.9	0	113.6	A54 Y55 A71	A54-K57 PolarHBondContact O-N 3.41Å; Y55-K57 PolarHBondContact O-N 3.43Å; Y55-K57 VanDerWaalsContact O-N 3.07Å; K57-A71 PolarHBondContact NZ-O 3.19Å
58	R	68.7	Low	78.9	Confident	80 Å²	80	85.2 Å²	85.2	30%	0.302	43%	0.431	S	S	.	.			trans	-106.9	153	-177.3	-90.9	-170.5	165.6	-128.4	-14.9	114.5	Y55 V63 D68	Y55-R58 PolarHBondContact O-N 3.2Å; R58-V63 WeakPolarHBondContact CD-O 3.4Å; R58-V63 PolarHBondContact NE-O 3.01Å; R58-V63 PolarHBondContact NH1-O 2.92Å; R58-D68 IonicContact CZ-OD1 3.09Å; R58-D68 IonicContact CZ-OD2 2.66Å; R58-D68 VanDerWaalsContact CZ-OD2 3.25Å; R58-D68 IonicContact NE-OD1 2.62Å; R58-D68 PolarHBondContact NE-OD1 3.19Å; R58-D68 IonicContact NE-OD2 2.79Å; R58-D68 PolarHBondContact NE-OD2 3.09Å; R58-D68 IonicContact NH2-OD1 2.71Å; R58-D68 IonicContact NH2-OD2 2.74Å; R58-D68 PolarHBondContact NH2-OD2 3.35Å
59	A	66.7	Low	78.9	Confident	110 Å²	110	82 Å²	82	91%	0.909	42%	0.418	S	S	*	.	S	Bend	trans	-92	-17.3	171.1	0	0	0	0	0	113.9
60	D	62.8	Low	78.9	Confident	83 Å²	83	78.5 Å²	78.5	44%	0.444	39%	0.393	S	S	.	.			trans	-101.1	116.4	178	-178.7	-11.1	0	0	0	110.4	K62	D60-K62 PolarHBondContact O-N 3.48Å; D60-K62 VanDerWaalsContact O-N 3.14Å; D60-K62 PolarHBondContact OD1-N 3.12Å; D60-K62 VanDerWaalsContact OD1-N 3.14Å
61	P	61.4	Low	78.8	Confident	82 Å²	82	79.5 Å²	79.5	53%	0.532	40%	0.404	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77	10.1	-172.7	32	-37	0	0	0	115.5	Y55	Y55-P61 VanDerWaalsContact CE2-O 3.26Å; Y55-P61 WeakPolarHBondContact CE2-O 3.46Å; Y55-P61 VanDerWaalsContact OH-CA 3.24Å; Y55-P61 WeakPolarHBondContact OH-CA 3.32Å; Y55-P61 WeakPolarHBondContact OH-CB 3.35Å; Y55-P61 PolarHBondContact OH-O 2.99Å
62	K	71.4	Confident	78.8	Confident	184 Å²	184	75.8 Å²	75.8	80%	0.8	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-121.1	-11.3	-173.7	-68.6	-173.2	178.8	-179.3	0	117.5	D60	D60-K62 PolarHBondContact O-N 3.48Å; D60-K62 VanDerWaalsContact O-N 3.14Å; D60-K62 PolarHBondContact OD1-N 3.12Å; D60-K62 VanDerWaalsContact OD1-N 3.14Å
63	V	76	Confident	79	Confident	60 Å²	60	68.6 Å²	68.6	36%	0.364	36%	0.358	S	S	.	.			trans	-141.8	130.7	-176.2	-173.2	0	0	0	0	111.6	R58 M65	R58-V63 WeakPolarHBondContact CD-O 3.4Å; R58-V63 PolarHBondContact NE-O 3.01Å; R58-V63 PolarHBondContact NH1-O 2.92Å; V63-M65 HydrophobicContact CG1-CE 3.69Å; V63-M65 HydrophobicContact CG1-SD 4.01Å
64	V	78.2	Confident	78.9	Confident	46 Å²	46	71 Å²	71	28%	0.279	36%	0.364	S	S	.	.			trans	-108.6	127.2	167.3	179.1	0	0	0	0	108.1	L51 A54 Y55 D68 V69	L51-V64 HydrophobicContact CD2-CG1 4.25Å; A54-V64 HydrophobicContact CB-CG1 3.64Å; Y55-V64 HydrophobicContact CD2-CG2 4.01Å; V64-D68 HydrophobicContact CG1-CB 4.14Å; V64-V69 HydrophobicContact CG1-CG2 3.87Å
65	M	83	Confident	78.8	Confident	94 Å²	94	73.4 Å²	73.4	46%	0.463	39%	0.39	S	S	.	.			trans	-97.5	161.9	175.4	-56.9	-70.2	-175.5	0	0	111	V63 D67 D68 V69	V63-M65 HydrophobicContact CG1-CE 3.69Å; V63-M65 HydrophobicContact CG1-SD 4.01Å; M65-D67 PolarHBondContact O-N 3.03Å; M65-D68 WeakPolarHBondContact CA-OD2 3.42Å; M65-D68 WeakPolarHBondContact CB-OD2 3.5Å; M65-D68 PolarHBondContact N-OD2 3.04Å; M65-D68 WeakPolarHBondContact O-CB 3.28Å; M65-D68 PolarHBondContact O-N 3.18Å; M65-V69 PolarHBondContact O-N 2.97Å
66	Y	84.7	Confident	78.9	Confident	111 Å²	111	69.8 Å²	69.8	44%	0.435	38%	0.38	S	S	.	.	H	α-helix	trans	-55.4	-38	176.1	-173.5	-92.3	0	0	0	113	D68 V69 A70 I86 P87	Y66-D68 VanDerWaalsContact C-N 3.29Å; Y66-D68 PolarHBondContact O-N 3.47Å; Y66-V69 PolarHBondContact O-N 3.19Å; Y66-V69 VanDerWaalsContact O-N 3.14Å; Y66-A70 PolarHBondContact O-N 3.36Å; Y66-I86 HydrophobicContact CE2-CG2 4.26Å; Y66-I86 WeakPolarHBondContact OH-CA 3.3Å; Y66-P87 WeakPolarHBondContact CE1-O 3.41Å
67	D	84	Confident	79.2	Confident	70 Å²	70	68 Å²	68	37%	0.374	38%	0.383	S	S	.	.	H	α-helix	trans	-67.3	-28.1	178.3	-59.8	-52.7	0	0	0	112.2	M65 A71 K89	M65-D67 PolarHBondContact O-N 3.03Å; D67-A71 VanDerWaalsContact O-CB 3.3Å; D67-A71 WeakPolarHBondContact O-CB 3.45Å; D67-A71 PolarHBondContact O-N 3.38Å; D67-K89 IonicContact OD2-NZ 3.54Å; D67-K89 PolarHBondContact OD2-NZ 3.13Å
68	D	86.1	Confident	79.8	Confident	28 Å²	28	70.2 Å²	70.2	15%	0.15	40%	0.395	C	S	.	.	H	α-helix	trans	-72.2	-34.9	172.3	-51	-74.4	0	0	0	111.4	A54 R58 V64 M65 Y66 A71 A72	A54-D68 HydrophobicContact CB-CB 4.13Å; R58-D68 IonicContact CZ-OD1 3.09Å; R58-D68 IonicContact CZ-OD2 2.66Å; R58-D68 VanDerWaalsContact CZ-OD2 3.25Å; R58-D68 IonicContact NE-OD1 2.62Å; R58-D68 PolarHBondContact NE-OD1 3.19Å; R58-D68 IonicContact NE-OD2 2.79Å; R58-D68 PolarHBondContact NE-OD2 3.09Å; R58-D68 IonicContact NH2-OD1 2.71Å; R58-D68 IonicContact NH2-OD2 2.74Å; R58-D68 PolarHBondContact NH2-OD2 3.35Å; V64-D68 HydrophobicContact CG1-CB 4.14Å; M65-D68 WeakPolarHBondContact CA-OD2 3.42Å; M65-D68 WeakPolarHBondContact CB-OD2 3.5Å; M65-D68 PolarHBondContact N-OD2 3.04Å; M65-D68 WeakPolarHBondContact O-CB 3.28Å; M65-D68 PolarHBondContact O-N 3.18Å; Y66-D68 VanDerWaalsContact C-N 3.29Å; Y66-D68 PolarHBondContact O-N 3.47Å; D68-A71 PolarHBondContact O-N 3.08Å; D68-A72 WeakPolarHBondContact O-CB 3.48Å; D68-A72 PolarHBondContact O-N 3.12Å
69	V	87	Confident	80.6	Confident	22 Å²	22	67.5 Å²	67.5	13%	0.133	39%	0.386	C	S	.	.	H	α-helix	trans	-69.9	-43.9	174.6	-175.5	0	0	0	0	110.6	L50 L51 A54 V64 M65 Y66 A71 A72 V73 I86	L50-V69 HydrophobicContact CD1-CG1 4.44Å; L50-V69 HydrophobicContact CD2-CG1 3.92Å; L50-V69 HydrophobicContact CG-CG1 4.09Å; L51-V69 HydrophobicContact CD2-CG2 4.34Å; A54-V69 HydrophobicContact CB-CG2 4.17Å; V64-V69 HydrophobicContact CG1-CG2 3.87Å; M65-V69 PolarHBondContact O-N 2.97Å; Y66-V69 PolarHBondContact O-N 3.19Å; Y66-V69 VanDerWaalsContact O-N 3.14Å; V69-A71 VanDerWaalsContact C-N 3.3Å; V69-A71 PolarHBondContact O-N 3.17Å; V69-A72 WeakPolarHBondContact O-CB 3.33Å; V69-A72 PolarHBondContact O-N 3.16Å; V69-V73 WeakPolarHBondContact O-CG2 3.49Å; V69-V73 PolarHBondContact O-N 3.04Å; V69-I86 HydrophobicContact CG1-CD1 4.33Å; V69-I86 HydrophobicContact CG1-CG2 4.2Å
70	A	86.7	Confident	81.4	Confident	2 Å²	2	67.9 Å²	67.9	2%	0.017	37%	0.373	C	S	.	.	H	α-helix	trans	-59.1	-41.4	172.3	0	0	0	0	0	111.4	Y66 A72 V73 Q74 I86	Y66-A70 PolarHBondContact O-N 3.36Å; A70-A72 VanDerWaalsContact C-N 3.33Å; A70-A72 PolarHBondContact O-N 3.48Å; A70-V73 PolarHBondContact O-N 3.06Å; A70-Q74 WeakPolarHBondContact O-CB 3.42Å; A70-Q74 VanDerWaalsContact O-CG 3.31Å; A70-Q74 WeakPolarHBondContact O-CG 3.33Å; A70-Q74 PolarHBondContact O-N 3.34Å; A70-I86 HydrophobicContact CB-CG2 4.23Å
71	A	84.9	Confident	82.6	Confident	40 Å²	40	70.3 Å²	70.3	33%	0.331	38%	0.377	S	S	.	.	H	α-helix	trans	-70.5	-22.7	174.1	0	0	0	0	0	114	K57 D67 D68 V69 G75	K57-A71 PolarHBondContact NZ-O 3.19Å; D67-A71 VanDerWaalsContact O-CB 3.3Å; D67-A71 WeakPolarHBondContact O-CB 3.45Å; D67-A71 PolarHBondContact O-N 3.38Å; D68-A71 PolarHBondContact O-N 3.08Å; V69-A71 VanDerWaalsContact C-N 3.3Å; V69-A71 PolarHBondContact O-N 3.17Å; A71-G75 PolarHBondContact O-N 3.4Å
72	A	86.5	Confident	83.7	Confident	0 Å²	0	67.5 Å²	67.5	0%	0	36%	0.357	C	S	.	.	H	α-helix	trans	-74.3	-42.1	170.4	0	0	0	0	0	111.4	L50 A54 D68 V69 A70 G75	L50-A72 HydrophobicContact CD1-CB 4.09Å; A54-A72 HydrophobicContact CB-CB 4.07Å; D68-A72 WeakPolarHBondContact O-CB 3.48Å; D68-A72 PolarHBondContact O-N 3.12Å; V69-A72 WeakPolarHBondContact O-CB 3.33Å; V69-A72 PolarHBondContact O-N 3.16Å; A70-A72 VanDerWaalsContact C-N 3.33Å; A70-A72 PolarHBondContact O-N 3.48Å; A72-G75 PolarHBondContact O-N 2.85Å
73	V	88	Confident	84.1	Confident	2 Å²	2	63.9 Å²	63.9	1%	0.012	34%	0.343	C	S	.	.	H	α-helix	trans	-62.5	-56.7	173.6	170.3	0	0	0	0	111	L50 V69 A70 G75 S76 L79 L82 I86	L50-V73 HydrophobicContact CD1-CG2 4.15Å; V69-V73 WeakPolarHBondContact O-CG2 3.49Å; V69-V73 PolarHBondContact O-N 3.04Å; A70-V73 PolarHBondContact O-N 3.06Å; V73-G75 PolarHBondContact O-N 3.05Å; V73-G75 VanDerWaalsContact O-N 3.11Å; V73-S76 PolarHBondContact O-N 2.9Å; V73-L79 HydrophobicContact CG1-CB 4.35Å; V73-L82 HydrophobicContact CG1-CB 3.78Å; V73-L82 HydrophobicContact CG2-CB 4.16Å; V73-L82 HydrophobicContact CG2-CD1 4.27Å; V73-I86 HydrophobicContact CG2-CB 4.28Å; V73-I86 HydrophobicContact CG2-CD1 3.97Å; V73-I86 HydrophobicContact CG2-CG2 4.4Å
74	Q	83.1	Confident	84.2	Confident	89 Å²	89	69.2 Å²	69.2	42%	0.416	36%	0.364	S	S	.	.	H	α-helix	trans	-61.1	-22.2	179.2	-71	175.8	-6.4	0	0	113.5	A70 H83 S88	A70-Q74 WeakPolarHBondContact O-CB 3.42Å; A70-Q74 VanDerWaalsContact O-CG 3.31Å; A70-Q74 WeakPolarHBondContact O-CG 3.33Å; A70-Q74 PolarHBondContact O-N 3.34Å; Q74-H83 PolarHBondContact NE2-NE2 2.87Å; Q74-S88 PolarHBondContact NE2-OG 3.4Å
75	G	82.2	Confident	84.4	Confident	52 Å²	52	73.9 Å²	73.9	54%	0.536	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.9	1.6	177.4	0	0	0	0	0	115.1	A71 A72 V73	A71-G75 PolarHBondContact O-N 3.4Å; A72-G75 PolarHBondContact O-N 2.85Å; V73-G75 PolarHBondContact O-N 3.05Å; V73-G75 VanDerWaalsContact O-N 3.11Å
76	S	84.8	Confident	84.3	Confident	30 Å²	30	70.8 Å²	70.8	21%	0.21	37%	0.366	C	S	.	.			trans	-129.7	113.5	-177	-177.2	0	0	0	0	111.7	V73 Q78 L79	V73-S76 PolarHBondContact O-N 2.9Å; S76-Q78 PolarHBondContact O-N 3.2Å; S76-Q78 PolarHBondContact OG-N 3.46Å; S76-L79 PolarHBondContact O-N 3.05Å
77	P	85.1	Confident	83.8	Confident	126 Å²	126	67.7 Å²	67.7	82%	0.818	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.9	-19.1	174.4	-25.2	34.7	0	0	0	114.2	L79	P77-L79 VanDerWaalsContact C-N 3.34Å
78	Q	84.7	Confident	83.1	Confident	164 Å²	164	67.1 Å²	67.1	77%	0.766	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.9	-13.6	178.1	-63	169	-3.8	0	0	112.7	S76 Y81	S76-Q78 PolarHBondContact O-N 3.2Å; S76-Q78 PolarHBondContact OG-N 3.46Å; Q78-Y81 WeakPolarHBondContact O-CE1 3.44Å
79	L	86.4	Confident	81.9	Confident	23 Å²	23	72.6 Å²	72.6	12%	0.12	38%	0.383	C	S	.	.	S	Bend	trans	-111.6	8.6	-176.8	-59.5	-178.2	0	0	0	113.1	F46 L50 V73 S76 P77 Y81 L82	F46-L79 HydrophobicContact CE2-CD2 3.79Å; F46-L79 HydrophobicContact CZ-CD2 3.81Å; L50-L79 HydrophobicContact CD1-CD1 3.8Å; V73-L79 HydrophobicContact CG1-CB 4.35Å; S76-L79 PolarHBondContact O-N 3.05Å; P77-L79 VanDerWaalsContact C-N 3.34Å; L79-Y81 HydrophobicContact CD2-CE1 4.25Å; L79-Y81 PolarHBondContact O-N 3.48Å; L79-Y81 VanDerWaalsContact O-N 3.12Å; L79-L82 HydrophobicContact CD2-CD1 4.34Å; L79-L82 WeakPolarHBondContact O-CB 3.02Å; L79-L82 PolarHBondContact O-N 3.16Å
80	D	82.7	Confident	80.5	Confident	117 Å²	117	78.7 Å²	78.7	63%	0.626	41%	0.413	S	S	*	.	G	3₁₀ helix	trans	-55.4	-33.4	-176.3	-163.1	43.7	0	0	0	112.6	L82 H83	D80-L82 PolarHBondContact O-N 2.84Å; D80-L82 VanDerWaalsContact O-N 3.08Å; D80-H83 VanDerWaalsContact O-CB 3.25Å; D80-H83 WeakPolarHBondContact O-CB 3.47Å; D80-H83 PolarHBondContact O-N 3.34Å
81	Y	87	Confident	78.9	Confident	135 Å²	135	86.7 Å²	86.7	53%	0.529	44%	0.443	S	S	.	.	G	3₁₀ helix	trans	-60.8	-16	173.5	76	-87.2	0	0	0	114.8	F46 Q78 L79 F85	F46-Y81 WeakPolarHBondContact CZ-OH 3.25Å; Q78-Y81 WeakPolarHBondContact O-CE1 3.44Å; L79-Y81 HydrophobicContact CD2-CE1 4.25Å; L79-Y81 PolarHBondContact O-N 3.48Å; L79-Y81 VanDerWaalsContact O-N 3.12Å; Y81-F85 WeakPolarHBondContact O-CD2 3.43Å
82	L	86	Confident	77.1	Confident	22 Å²	22	92.9 Å²	92.9	12%	0.115	46%	0.463	C	S	.	.	G	3₁₀ helix	trans	-89.5	-4.3	174.4	-66.5	179.8	0	0	0	113.4	F46 V73 L79 D80 E84 F85 I86	F46-L82 HydrophobicContact CE1-CD1 4.16Å; F46-L82 HydrophobicContact CZ-CD1 3.82Å; V73-L82 HydrophobicContact CG1-CB 3.78Å; V73-L82 HydrophobicContact CG2-CB 4.16Å; V73-L82 HydrophobicContact CG2-CD1 4.27Å; L79-L82 HydrophobicContact CD2-CD1 4.34Å; L79-L82 WeakPolarHBondContact O-CB 3.02Å; L79-L82 PolarHBondContact O-N 3.16Å; D80-L82 PolarHBondContact O-N 2.84Å; D80-L82 VanDerWaalsContact O-N 3.08Å; L82-E84 VanDerWaalsContact C-N 3.32Å; L82-E84 PolarHBondContact O-N 3.19Å; L82-F85 HydrophobicContact CD2-CD2 4.48Å; L82-F85 CarbonylContact O-C 3.6Å; L82-F85 PolarHBondContact O-N 3.04Å; L82-I86 HydrophobicContact CB-CD1 4.4Å; L82-I86 HydrophobicContact CD1-CD1 4.25Å; L82-I86 PolarHBondContact O-N 2.97Å
83	H	78.9	Confident	75.6	Confident	109 Å²	109	98.9 Å²	98.9	51%	0.505	49%	0.491	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-37.4	-176.6	-166.1	-87	0	0	0	113.1	Q74 D80 F85	Q74-H83 PolarHBondContact NE2-NE2 2.87Å; D80-H83 VanDerWaalsContact O-CB 3.25Å; D80-H83 WeakPolarHBondContact O-CB 3.47Å; D80-H83 PolarHBondContact O-N 3.34Å; H83-F85 VanDerWaalsContact C-N 3.32Å; H83-F85 PolarHBondContact O-N 3.36Å
84	E	77.9	Confident	74	Confident	171 Å²	171	106.6 Å²	106.6	80%	0.799	52%	0.524	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.5	-29.6	173	-71.3	-168.4	128.4	0	0	113.3	L82	L82-E84 VanDerWaalsContact C-N 3.32Å; L82-E84 PolarHBondContact O-N 3.19Å
85	F	82.2	Confident	72.3	Confident	145 Å²	145	109.7 Å²	109.7	64%	0.636	53%	0.533	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.3	-22.9	-174.6	-58.3	-76.8	0	0	0	113.3	Y81 L82 H83	Y81-F85 WeakPolarHBondContact O-CD2 3.43Å; L82-F85 HydrophobicContact CD2-CD2 4.48Å; L82-F85 CarbonylContact O-C 3.6Å; L82-F85 PolarHBondContact O-N 3.04Å; H83-F85 VanDerWaalsContact C-N 3.32Å; H83-F85 PolarHBondContact O-N 3.36Å
86	I	82.5	Confident	70.8	Confident	29 Å²	29	111.7 Å²	111.7	15%	0.149	54%	0.537	C	S	.	.	S	Bend	trans	-130.9	60.7	-179.9	-46.5	-177.2	0	0	0	109.7	L50 Y66 V69 A70 V73 L82	L50-I86 HydrophobicContact CD2-CD1 4.42Å; Y66-I86 HydrophobicContact CE2-CG2 4.26Å; Y66-I86 WeakPolarHBondContact OH-CA 3.3Å; V69-I86 HydrophobicContact CG1-CD1 4.33Å; V69-I86 HydrophobicContact CG1-CG2 4.2Å; A70-I86 HydrophobicContact CB-CG2 4.23Å; V73-I86 HydrophobicContact CG2-CB 4.28Å; V73-I86 HydrophobicContact CG2-CD1 3.97Å; V73-I86 HydrophobicContact CG2-CG2 4.4Å; L82-I86 HydrophobicContact CB-CD1 4.4Å; L82-I86 HydrophobicContact CD1-CD1 4.25Å; L82-I86 PolarHBondContact O-N 2.97Å
87	P	72.6	Confident	69.2	Low	46 Å²	46	117.2 Å²	117.2	30%	0.299	56%	0.561	S	S	.	*			trans	-70.8	143.8	179.6	30	-36.4	0	0	0	111.5	Y66 K89	Y66-P87 WeakPolarHBondContact CE1-O 3.41Å; P87-K89 PolarHBondContact O-N 2.84Å
88	S	69.8	Low	67.7	Low	57 Å²	57	119.5 Å²	119.5	40%	0.399	56%	0.561	S	S	.	*			trans	-57.9	132.7	164	49	0	0	0	0	110	Q74 I90	Q74-S88 PolarHBondContact NE2-OG 3.4Å; S88-I90 PolarHBondContact O-N 3.28Å; S88-I90 VanDerWaalsContact O-N 3.1Å
89	K	62	Low	66	Low	144 Å²	144	116.3 Å²	116.3	63%	0.626	55%	0.549	S	S	*	.			trans	-42.5	115.4	-174.8	-87.3	175.1	178	159.1	0	113.2	D67 P87 R91	D67-K89 IonicContact OD2-NZ 3.54Å; D67-K89 PolarHBondContact OD2-NZ 3.13Å; P87-K89 PolarHBondContact O-N 2.84Å; K89-R91 PolarHBondContact O-N 3.12Å
90	I	56.3	Low	64.2	Low	150 Å²	150	116.5 Å²	116.5	77%	0.769	55%	0.554	S	S	*	*			trans	-64.3	121.1	171.5	-57.6	175.3	0	0	0	108	S88	S88-I90 PolarHBondContact O-N 3.28Å; S88-I90 VanDerWaalsContact O-N 3.1Å
91	R	53.2	Low	62.9	Low	170 Å²	170	118 Å²	118	64%	0.642	56%	0.557	S	S	*	*			trans	-82.6	144.2	177.5	-63.8	-175	174.5	-172.9	-2.1	110.9	K89 E93 F94	K89-R91 PolarHBondContact O-N 3.12Å; R91-E93 HydrophobicContact CB-CG 3.84Å; R91-E93 WeakPolarHBondContact CD-OE1 3.4Å; R91-E93 IonicContact CZ-OE1 3.32Å; R91-E93 IonicContact NE-OE1 2.94Å; R91-E93 IonicContact NH1-OE1 2.91Å; R91-E93 PolarHBondContact NH1-OE1 3.16Å; R91-E93 PolarHBondContact O-N 3.05Å; R91-E93 VanDerWaalsContact O-N 3.09Å; R91-F94 HydrophobicContact CB-CE2 4.48Å
92	F	46.5	Very low	61.5	Low	170 Å²	170	121.2 Å²	121.2	75%	0.746	57%	0.568	S	S	*	*	G	3₁₀ helix	trans	-61.2	-19.1	-176.7	-171.4	-99.8	0	0	0	114.3	F94	F92-F94 PolarHBondContact O-N 3.04Å; F92-F94 VanDerWaalsContact O-N 3.07Å
93	E	55.6	Low	60	Low	126 Å²	126	123.3 Å²	123.3	59%	0.589	58%	0.579	S	S	*	*	G	3₁₀ helix	trans	-67.1	-2.6	-175.3	55.8	-166.8	160.8	0	0	115.9	R91	R91-E93 HydrophobicContact CB-CG 3.84Å; R91-E93 WeakPolarHBondContact CD-OE1 3.4Å; R91-E93 IonicContact CZ-OE1 3.32Å; R91-E93 IonicContact NE-OE1 2.94Å; R91-E93 IonicContact NH1-OE1 2.91Å; R91-E93 PolarHBondContact NH1-OE1 3.16Å; R91-E93 PolarHBondContact O-N 3.05Å; R91-E93 VanDerWaalsContact O-N 3.09Å
94	F	55.2	Low	59.1	Low	163 Å²	163	119.8 Å²	119.8	72%	0.715	57%	0.572	S	S	*	*	G	3₁₀ helix	trans	-105.6	8	-178.6	-63.2	-75.6	0	0	0	115.6	R91 F92	R91-F94 HydrophobicContact CB-CE2 4.48Å; F92-F94 PolarHBondContact O-N 3.04Å; F92-F94 VanDerWaalsContact O-N 3.07Å
95	Y	46.6	Very low	58.6	Low	154 Å²	154	118.5 Å²	118.5	60%	0.604	56%	0.564	S	S	*	*	S	Bend	trans	-90.8	138.2	-179.3	-113.1	-100.3	0	0	0	113.5	M97 L99	Y95-M97 PolarHBondContact O-N 3.29Å; Y95-L99 HydrophobicContact CE1-CD2 4.29Å
96	P	51	Low	57.7	Low	95 Å²	95	117.8 Å²	117.8	62%	0.617	56%	0.563	S	S	*	*			trans	-60	128.5	-178.5	-25.7	34.8	0	0	0	114.6	E98 L99 A100	P96-E98 PolarHBondContact O-N 3.45Å; P96-L99 PolarHBondContact O-N 3.4Å; P96-A100 PolarHBondContact O-N 3.16Å
97	M	51.5	Low	56.8	Low	145 Å²	145	122.5 Å²	122.5	71%	0.714	58%	0.579	S	S	*	*	H	α-helix	trans	-58.1	-34.8	-167.7	-77.7	-154.6	-56.5	0	0	116	Y95 L99 A100 Q101	Y95-M97 PolarHBondContact O-N 3.29Å; M97-L99 VanDerWaalsContact C-N 3.32Å; M97-L99 PolarHBondContact O-N 3.3Å; M97-A100 CarbonylContact O-C 3.13Å; M97-A100 PolarHBondContact O-N 3.37Å; M97-A100 VanDerWaalsContact O-N 3.15Å; M97-Q101 PolarHBondContact O-N 2.98Å
98	E	52.7	Low	56.7	Low	174 Å²	174	123.2 Å²	123.2	81%	0.813	59%	0.589	S	S	*	*	H	α-helix	trans	-69.6	-31	-176.2	-66.8	-176.3	134.7	0	0	112.5	P96	P96-E98 PolarHBondContact O-N 3.45Å
99	L	49.3	Very low	56.8	Low	97 Å²	97	126.1 Å²	126.1	51%	0.508	60%	0.596	S	S	.	*	H	α-helix	trans	-76	-38.9	169.5	-159.1	75.5	0	0	0	110.3	Y95 P96 M97 Q101 R102 L103	Y95-L99 HydrophobicContact CE1-CD2 4.29Å; P96-L99 PolarHBondContact O-N 3.4Å; M97-L99 VanDerWaalsContact C-N 3.32Å; M97-L99 PolarHBondContact O-N 3.3Å; L99-Q101 VanDerWaalsContact C-N 3.33Å; L99-Q101 PolarHBondContact O-N 2.85Å; L99-R102 PolarHBondContact O-N 2.94Å; L99-L103 HydrophobicContact CD2-CD1 3.96Å; L99-L103 HydrophobicContact CG-CD1 3.84Å; L99-L103 WeakPolarHBondContact O-CB 3.48Å; L99-L103 PolarHBondContact O-N 3.15Å
100	A	49.7	Very low	57.1	Low	28 Å²	28	123.4 Å²	123.4	23%	0.231	59%	0.588	C	S	.	*	H	α-helix	trans	-65.2	-27.4	179.5	0	0	0	0	0	114	P96 M97 G104	P96-A100 PolarHBondContact O-N 3.16Å; M97-A100 CarbonylContact O-C 3.13Å; M97-A100 PolarHBondContact O-N 3.37Å; M97-A100 VanDerWaalsContact O-N 3.15Å; A100-G104 WeakPolarHBondContact O-CA 3.36Å; A100-G104 PolarHBondContact O-N 3.1Å
101	Q	55.5	Low	57.9	Low	147 Å²	147	122.4 Å²	122.4	69%	0.687	58%	0.579	S	S	*	*	H	α-helix	trans	-74.9	-40.2	174.1	-75.4	-176.1	-5.4	0	0	112.8	M97 L99 K105	M97-Q101 PolarHBondContact O-N 2.98Å; L99-Q101 VanDerWaalsContact C-N 3.33Å; L99-Q101 PolarHBondContact O-N 2.85Å; Q101-K105 PolarHBondContact O-N 3.45Å
102	R	56.7	Low	58.8	Low	204 Å²	204	117 Å²	117	77%	0.77	57%	0.57	S	S	*	*	H	α-helix	trans	-70	-47	174.6	-82.7	-176.1	173.8	172.3	0.3	111.8	L99 G104 Q106	L99-R102 PolarHBondContact O-N 2.94Å; R102-G104 VanDerWaalsContact C-N 3.32Å; R102-Q106 PolarHBondContact O-N 3.29Å
103	L	53.3	Low	60.1	Low	65 Å²	65	115.9 Å²	115.9	34%	0.34	56%	0.562	S	S	.	*	H	α-helix	trans	-61.2	-42	172	-80.5	165.8	0	0	0	110.8	L99 K105 Q106 Y107	L99-L103 HydrophobicContact CD2-CD1 3.96Å; L99-L103 HydrophobicContact CG-CD1 3.84Å; L99-L103 WeakPolarHBondContact O-CB 3.48Å; L99-L103 PolarHBondContact O-N 3.15Å; L103-K105 VanDerWaalsContact C-N 3.33Å; L103-K105 PolarHBondContact O-N 3.29Å; L103-Q106 CarbonylContact O-C 3.58Å; L103-Q106 PolarHBondContact O-N 3.19Å; L103-Q106 VanDerWaalsContact O-N 3.17Å; L103-Y107 HydrophobicContact CB-CD2 4.42Å; L103-Y107 HydrophobicContact CD2-CD2 4.41Å; L103-Y107 HydrophobicContact CD2-CE2 4.34Å; L103-Y107 VanDerWaalsContact O-CB 3.28Å; L103-Y107 WeakPolarHBondContact O-CB 3.35Å; L103-Y107 PolarHBondContact O-N 3.09Å
104	G	61.5	Low	60.7	Low	35 Å²	35	113.5 Å²	113.5	36%	0.361	55%	0.553	S	S	.	*	H	α-helix	trans	-60.7	-36.9	-178.1	0	0	0	0	0	113.7	A100 R102 A108	A100-G104 WeakPolarHBondContact O-CA 3.36Å; A100-G104 PolarHBondContact O-N 3.1Å; R102-G104 VanDerWaalsContact C-N 3.32Å; G104-A108 VanDerWaalsContact O-CB 3.3Å; G104-A108 WeakPolarHBondContact O-CB 3.4Å; G104-A108 PolarHBondContact O-N 3.05Å
105	K	66.7	Low	61.4	Low	145 Å²	145	111.6 Å²	111.6	63%	0.63	55%	0.546	S	S	*	.	H	α-helix	trans	-69.5	-44.1	173.9	-164.3	-179	178.9	-170	0	112	Q101 L103 Y107 A108 E109	Q101-K105 PolarHBondContact O-N 3.45Å; L103-K105 VanDerWaalsContact C-N 3.33Å; L103-K105 PolarHBondContact O-N 3.29Å; K105-Y107 VanDerWaalsContact C-N 3.34Å; K105-A108 PolarHBondContact O-N 3.34Å; K105-E109 WeakPolarHBondContact CE-OE1 3.39Å; K105-E109 WeakPolarHBondContact O-CG 3.15Å; K105-E109 PolarHBondContact O-N 3.35Å
106	Q	63	Low	62.6	Low	130 Å²	130	107.1 Å²	107.1	61%	0.607	54%	0.541	S	S	*	.	H	α-helix	trans	-66.5	-35.7	175.4	-69.7	-176.3	-36.7	0	0	112.3	R102 L103 L110	R102-Q106 PolarHBondContact O-N 3.29Å; L103-Q106 CarbonylContact O-C 3.58Å; L103-Q106 PolarHBondContact O-N 3.19Å; L103-Q106 VanDerWaalsContact O-N 3.17Å; Q106-L110 WeakPolarHBondContact O-CB 3.48Å; Q106-L110 PolarHBondContact O-N 2.95Å
107	Y	64.2	Low	63.1	Low	127 Å²	127	106.2 Å²	106.2	50%	0.498	53%	0.53	S	S	.	.	H	α-helix	trans	-69.6	-35.4	174.3	-103.4	-96.8	0	0	0	111.6	L103 K105 L110 F111	L103-Y107 HydrophobicContact CB-CD2 4.42Å; L103-Y107 HydrophobicContact CD2-CD2 4.41Å; L103-Y107 HydrophobicContact CD2-CE2 4.34Å; L103-Y107 VanDerWaalsContact O-CB 3.28Å; L103-Y107 WeakPolarHBondContact O-CB 3.35Å; L103-Y107 PolarHBondContact O-N 3.09Å; K105-Y107 VanDerWaalsContact C-N 3.34Å; Y107-L110 PolarHBondContact O-N 3.42Å; Y107-F111 HydrophobicContact CD1-CD2 4.23Å; Y107-F111 HydrophobicContact CD1-CE2 4.34Å; Y107-F111 WeakPolarHBondContact O-CA 3.08Å; Y107-F111 VanDerWaalsContact O-CB 3.24Å; Y107-F111 WeakPolarHBondContact O-CB 3.49Å; Y107-F111 PolarHBondContact O-N 3.11Å
108	A	70	Confident	63.7	Low	61 Å²	61	102.6 Å²	102.6	50%	0.504	52%	0.517	S	S	.	.	H	α-helix	trans	-69.3	-41.9	175.3	0	0	0	0	0	111.6	G104 K105 F111 A112	G104-A108 VanDerWaalsContact O-CB 3.3Å; G104-A108 WeakPolarHBondContact O-CB 3.4Å; G104-A108 PolarHBondContact O-N 3.05Å; K105-A108 PolarHBondContact O-N 3.34Å; A108-F111 PolarHBondContact O-N 2.86Å; A108-A112 WeakPolarHBondContact O-CB 3.31Å; A108-A112 PolarHBondContact O-N 3.29Å
109	E	73.4	Confident	64.3	Low	118 Å²	118	98.8 Å²	98.8	55%	0.551	50%	0.502	S	S	*	.	H	α-helix	trans	-63.8	-41.2	172.8	-71.3	167.9	-167.9	0	0	111.1	K105 Y113	K105-E109 WeakPolarHBondContact CE-OE1 3.39Å; K105-E109 WeakPolarHBondContact O-CG 3.15Å; K105-E109 PolarHBondContact O-N 3.35Å; E109-Y113 WeakPolarHBondContact O-CB 3.49Å; E109-Y113 PolarHBondContact O-N 3.41Å
110	L	68.2	Low	64.9	Low	88 Å²	88	96.5 Å²	96.5	46%	0.461	50%	0.497	S	S	.	.	H	α-helix	trans	-70.9	-36.4	175.4	-167.7	71.8	0	0	0	112.8	Q106 Y107 Y113 I114	Q106-L110 WeakPolarHBondContact O-CB 3.48Å; Q106-L110 PolarHBondContact O-N 2.95Å; Y107-L110 PolarHBondContact O-N 3.42Å; L110-Y113 PolarHBondContact O-N 3.02Å; L110-I114 HydrophobicContact CD2-CD1 4.26Å; L110-I114 HydrophobicContact CG-CD1 3.87Å; L110-I114 HydrophobicContact CG-CG1 4.43Å; L110-I114 WeakPolarHBondContact O-CB 3.23Å; L110-I114 VanDerWaalsContact O-CG1 3.23Å; L110-I114 WeakPolarHBondContact O-CG1 3.39Å; L110-I114 PolarHBondContact O-N 3.13Å
111	F	71.3	Confident	65.4	Low	128 Å²	128	102.8 Å²	102.8	56%	0.561	52%	0.516	S	S	*	.	H	α-helix	trans	-68.1	-43.3	175	-112.3	-90	0	0	0	110.8	Y107 A108 Y113 I114 E115	Y107-F111 HydrophobicContact CD1-CD2 4.23Å; Y107-F111 HydrophobicContact CD1-CE2 4.34Å; Y107-F111 WeakPolarHBondContact O-CA 3.08Å; Y107-F111 VanDerWaalsContact O-CB 3.24Å; Y107-F111 WeakPolarHBondContact O-CB 3.49Å; Y107-F111 PolarHBondContact O-N 3.11Å; A108-F111 PolarHBondContact O-N 2.86Å; F111-Y113 PolarHBondContact O-N 2.94Å; F111-I114 CarbonylContact O-C 3.57Å; F111-I114 PolarHBondContact O-N 3.34Å; F111-E115 WeakPolarHBondContact O-CB 3.34Å; F111-E115 PolarHBondContact O-N 3.23Å
112	A	73.9	Confident	65.9	Low	57 Å²	57	99.7 Å²	99.7	47%	0.471	50%	0.504	S	S	.	.	H	α-helix	trans	-61.6	-36.3	174.2	0	0	0	0	0	111.5	A108 A116	A108-A112 WeakPolarHBondContact O-CB 3.31Å; A108-A112 PolarHBondContact O-N 3.29Å; A112-A116 WeakPolarHBondContact O-CB 3.35Å; A112-A116 PolarHBondContact O-N 3.14Å
113	Y	72.4	Confident	66.2	Low	147 Å²	147	95.5 Å²	95.5	58%	0.576	50%	0.497	S	S	*	.	H	α-helix	trans	-70.9	-40.5	173.9	-175.1	-112.2	0	0	0	113	E109 L110 F111 L117	E109-Y113 WeakPolarHBondContact O-CB 3.49Å; E109-Y113 PolarHBondContact O-N 3.41Å; L110-Y113 PolarHBondContact O-N 3.02Å; F111-Y113 PolarHBondContact O-N 2.94Å; Y113-L117 HydrophobicContact CD1-CD1 3.77Å; Y113-L117 HydrophobicContact CE1-CD1 3.35Å; Y113-L117 HydrophobicContact CE1-CG 4.32Å; Y113-L117 HydrophobicContact CE2-CD1 4.36Å; Y113-L117 HydrophobicContact CG-CD1 4.44Å; Y113-L117 VanDerWaalsContact O-CB 3.29Å; Y113-L117 WeakPolarHBondContact O-CB 3.44Å; Y113-L117 WeakPolarHBondContact O-CG 3.31Å; Y113-L117 PolarHBondContact O-N 3.46Å
114	I	69.1	Low	66.8	Low	75 Å²	75	98.2 Å²	98.2	39%	0.385	51%	0.508	S	S	.	.	H	α-helix	trans	-69	-38.6	175.5	-73.1	168.2	0	0	0	111	L110 F111 L117 T118	L110-I114 HydrophobicContact CD2-CD1 4.26Å; L110-I114 HydrophobicContact CG-CD1 3.87Å; L110-I114 HydrophobicContact CG-CG1 4.43Å; L110-I114 WeakPolarHBondContact O-CB 3.23Å; L110-I114 VanDerWaalsContact O-CG1 3.23Å; L110-I114 WeakPolarHBondContact O-CG1 3.39Å; L110-I114 PolarHBondContact O-N 3.13Å; F111-I114 CarbonylContact O-C 3.57Å; F111-I114 PolarHBondContact O-N 3.34Å; I114-L117 CarbonylContact O-C 3.5Å; I114-L117 PolarHBondContact O-N 3.49Å; I114-T118 VanDerWaalsContact O-CB 3.26Å; I114-T118 WeakPolarHBondContact O-CB 3.43Å; I114-T118 PolarHBondContact O-N 3.39Å; I114-T118 PolarHBondContact O-OG1 3.39Å
115	E	70.2	Confident	67.1	Low	123 Å²	123	101 Å²	101	58%	0.575	51%	0.512	S	S	*	.	H	α-helix	trans	-71.7	-38.5	177.6	-171.2	171.6	-140.7	0	0	110.6	F111 T118 N119	F111-E115 WeakPolarHBondContact O-CB 3.34Å; F111-E115 PolarHBondContact O-N 3.23Å; E115-T118 PolarHBondContact O-N 3.02Å; E115-N119 WeakPolarHBondContact O-CB 3.44Å; E115-N119 VanDerWaalsContact O-CG 3.29Å; E115-N119 PolarHBondContact O-N 2.95Å; E115-N119 PolarHBondContact O-ND2 2.94Å
116	A	70.2	Confident	67.1	Low	60 Å²	60	97.2 Å²	97.2	50%	0.496	50%	0.504	S	S	.	.	H	α-helix	trans	-63.1	-42.3	167.8	0	0	0	0	0	112.1	A112 A120	A112-A116 WeakPolarHBondContact O-CB 3.35Å; A112-A116 PolarHBondContact O-N 3.14Å; A116-A120 WeakPolarHBondContact O-CB 3.45Å; A116-A120 PolarHBondContact O-N 3.43Å
117	L	62.6	Low	67.5	Low	76 Å²	76	94.5 Å²	94.5	40%	0.398	50%	0.5	S	S	.	.	H	α-helix	trans	-66.4	-35.6	173.7	-86.3	169.1	0	0	0	112.8	Y113 I114 Y121	Y113-L117 HydrophobicContact CD1-CD1 3.77Å; Y113-L117 HydrophobicContact CE1-CD1 3.35Å; Y113-L117 HydrophobicContact CE1-CG 4.32Å; Y113-L117 HydrophobicContact CE2-CD1 4.36Å; Y113-L117 HydrophobicContact CG-CD1 4.44Å; Y113-L117 VanDerWaalsContact O-CB 3.29Å; Y113-L117 WeakPolarHBondContact O-CB 3.44Å; Y113-L117 WeakPolarHBondContact O-CG 3.31Å; Y113-L117 PolarHBondContact O-N 3.46Å; I114-L117 CarbonylContact O-C 3.5Å; I114-L117 PolarHBondContact O-N 3.49Å; L117-Y121 VanDerWaalsContact O-CB 3.3Å; L117-Y121 WeakPolarHBondContact O-CB 3.31Å; L117-Y121 PolarHBondContact O-N 3.21Å
118	T	63.5	Low	67.7	Low	69 Å²	69	94.3 Å²	94.3	42%	0.423	50%	0.503	S	S	.	.	H	α-helix	trans	-76.4	-42.2	-178.2	-55.5	0	0	0	0	110.2	I114 E115 A120 Y121 D122	I114-T118 VanDerWaalsContact O-CB 3.26Å; I114-T118 WeakPolarHBondContact O-CB 3.43Å; I114-T118 PolarHBondContact O-N 3.39Å; I114-T118 PolarHBondContact O-OG1 3.39Å; E115-T118 PolarHBondContact O-N 3.02Å; T118-A120 VanDerWaalsContact C-N 3.33Å; T118-Y121 CarbonylContact O-C 3.52Å; T118-Y121 PolarHBondContact O-N 3.07Å; T118-Y121 VanDerWaalsContact O-N 3.15Å; T118-D122 WeakPolarHBondContact O-CB 3.17Å; T118-D122 PolarHBondContact O-N 3.46Å
119	N	65.7	Low	67.8	Low	95 Å²	95	95.9 Å²	95.9	51%	0.508	50%	0.503	S	S	.	.	H	α-helix	trans	-63.1	-40.5	170.5	-70.6	-48.4	0	0	0	111.1	E115 Y121 D122 D123	E115-N119 WeakPolarHBondContact O-CB 3.44Å; E115-N119 VanDerWaalsContact O-CG 3.29Å; E115-N119 PolarHBondContact O-N 2.95Å; E115-N119 PolarHBondContact O-ND2 2.94Å; N119-Y121 VanDerWaalsContact C-N 3.34Å; N119-Y121 PolarHBondContact O-N 3.16Å; N119-D122 PolarHBondContact O-N 3.3Å; N119-D123 WeakPolarHBondContact O-CB 3.42Å; N119-D123 PolarHBondContact O-N 3.13Å
120	A	61.8	Low	67.8	Low	49 Å²	49	96.3 Å²	96.3	41%	0.405	51%	0.505	S	S	.	.	H	α-helix	trans	-62.9	-38.8	171.4	0	0	0	0	0	112.1	A116 T118 E124	A116-A120 WeakPolarHBondContact O-CB 3.45Å; A116-A120 PolarHBondContact O-N 3.43Å; T118-A120 VanDerWaalsContact C-N 3.33Å; A120-E124 WeakPolarHBondContact O-CB 3.47Å; A120-E124 PolarHBondContact O-N 3.47Å
121	Y	60.8	Low	68.1	Low	160 Å²	160	98.1 Å²	98.1	63%	0.627	51%	0.509	S	S	*	.	H	α-helix	trans	-70.4	-34.1	176.2	-120.5	-102	0	0	0	113	L117 T118 N119 M125	L117-Y121 VanDerWaalsContact O-CB 3.3Å; L117-Y121 WeakPolarHBondContact O-CB 3.31Å; L117-Y121 PolarHBondContact O-N 3.21Å; T118-Y121 CarbonylContact O-C 3.52Å; T118-Y121 PolarHBondContact O-N 3.07Å; T118-Y121 VanDerWaalsContact O-N 3.15Å; N119-Y121 VanDerWaalsContact C-N 3.34Å; N119-Y121 PolarHBondContact O-N 3.16Å; Y121-M125 WeakPolarHBondContact O-CA 3.36Å; Y121-M125 WeakPolarHBondContact O-CB 3.48Å; Y121-M125 PolarHBondContact O-N 2.96Å
122	D	65	Low	68	Low	82 Å²	82	94.8 Å²	94.8	44%	0.439	50%	0.502	S	S	.	.	H	α-helix	trans	-75.9	-36.5	176.6	-87.8	-24.3	0	0	0	111.1	T118 N119 S126	T118-D122 WeakPolarHBondContact O-CB 3.17Å; T118-D122 PolarHBondContact O-N 3.46Å; N119-D122 PolarHBondContact O-N 3.3Å; D122-S126 WeakPolarHBondContact O-CA 3.44Å; D122-S126 WeakPolarHBondContact O-CB 3.3Å; D122-S126 PolarHBondContact O-N 2.88Å; D122-S126 PolarHBondContact O-OG 3.26Å
123	D	64.1	Low	67.9	Low	116 Å²	116	95.1 Å²	95.1	62%	0.62	50%	0.5	S	S	*	.	H	α-helix	trans	-67.7	-42.1	170	-82.7	-21.4	0	0	0	111.4	N119 S127	N119-D123 WeakPolarHBondContact O-CB 3.42Å; N119-D123 PolarHBondContact O-N 3.13Å; D123-S127 VanDerWaalsContact O-CB 3.22Å; D123-S127 WeakPolarHBondContact O-CB 3.37Å; D123-S127 PolarHBondContact O-N 2.96Å; D123-S127 PolarHBondContact O-OG 3.01Å
124	E	65	Low	68.2	Low	121 Å²	121	92.6 Å²	92.6	57%	0.565	50%	0.497	S	S	*	.	H	α-helix	trans	-69.4	-43.9	177.6	-171.8	164.3	-149.8	0	0	111.1	A120 S127 Q128	A120-E124 WeakPolarHBondContact O-CB 3.47Å; A120-E124 PolarHBondContact O-N 3.47Å; E124-S127 CarbonylContact O-C 3.58Å; E124-S127 WeakPolarHBondContact O-CB 3.13Å; E124-S127 PolarHBondContact O-N 3.29Å; E124-Q128 VanDerWaalsContact O-CB 3.27Å; E124-Q128 WeakPolarHBondContact O-CB 3.3Å; E124-Q128 PolarHBondContact O-N 3.19Å
125	M	67.7	Low	68.5	Low	93 Å²	93	92 Å²	92	46%	0.458	50%	0.496	S	S	.	.	H	α-helix	trans	-69.6	-37.7	175.7	-169.7	174.6	74.9	0	0	111.8	Y121 S127 Q128 I129	Y121-M125 WeakPolarHBondContact O-CA 3.36Å; Y121-M125 WeakPolarHBondContact O-CB 3.48Å; Y121-M125 PolarHBondContact O-N 2.96Å; M125-S127 VanDerWaalsContact C-N 3.34Å; M125-Q128 CarbonylContact O-C 3.47Å; M125-Q128 PolarHBondContact O-N 2.84Å; M125-I129 HydrophobicContact CE-CD1 4.42Å; M125-I129 HydrophobicContact CG-CD1 3.99Å; M125-I129 HydrophobicContact CG-CG1 4.37Å; M125-I129 WeakPolarHBondContact O-CB 3.23Å; M125-I129 VanDerWaalsContact O-CG1 3.26Å; M125-I129 WeakPolarHBondContact O-CG1 3.35Å; M125-I129 PolarHBondContact O-N 3Å
126	S	67.6	Low	68.8	Low	66 Å²	66	91.1 Å²	91.1	46%	0.462	50%	0.495	S	S	.	.	H	α-helix	trans	-62.4	-43.5	171.2	-65.9	0	0	0	0	110.9	D122 Q128 I129 Q130	D122-S126 WeakPolarHBondContact O-CA 3.44Å; D122-S126 WeakPolarHBondContact O-CB 3.3Å; D122-S126 PolarHBondContact O-N 2.88Å; D122-S126 PolarHBondContact O-OG 3.26Å; S126-Q128 VanDerWaalsContact C-N 3.28Å; S126-Q128 PolarHBondContact O-N 3.11Å; S126-I129 PolarHBondContact O-N 3.29Å; S126-Q130 VanDerWaalsContact O-CB 3.28Å; S126-Q130 WeakPolarHBondContact O-CB 3.48Å; S126-Q130 PolarHBondContact O-N 2.98Å
127	S	70.3	Confident	69.3	Low	73 Å²	73	94.3 Å²	94.3	51%	0.51	50%	0.5	S	S	.	.	H	α-helix	trans	-60.9	-37	172.7	-62.1	0	0	0	0	111.9	D123 E124 M125 F131	D123-S127 VanDerWaalsContact O-CB 3.22Å; D123-S127 WeakPolarHBondContact O-CB 3.37Å; D123-S127 PolarHBondContact O-N 2.96Å; D123-S127 PolarHBondContact O-OG 3.01Å; E124-S127 CarbonylContact O-C 3.58Å; E124-S127 WeakPolarHBondContact O-CB 3.13Å; E124-S127 PolarHBondContact O-N 3.29Å; M125-S127 VanDerWaalsContact C-N 3.34Å; S127-F131 WeakPolarHBondContact O-CB 3.24Å; S127-F131 PolarHBondContact O-N 3.48Å
128	Q	69.9	Low	70.1	Confident	123 Å²	123	97 Å²	97	58%	0.575	50%	0.504	S	S	*	.	H	α-helix	trans	-76.8	-33.3	-179.7	-154.5	165.9	35.1	0	0	112.8	E124 M125 S126 S132	E124-Q128 VanDerWaalsContact O-CB 3.27Å; E124-Q128 WeakPolarHBondContact O-CB 3.3Å; E124-Q128 PolarHBondContact O-N 3.19Å; M125-Q128 CarbonylContact O-C 3.47Å; M125-Q128 PolarHBondContact O-N 2.84Å; S126-Q128 VanDerWaalsContact C-N 3.28Å; S126-Q128 PolarHBondContact O-N 3.11Å; Q128-S132 VanDerWaalsContact O-CB 3.29Å; Q128-S132 WeakPolarHBondContact O-CB 3.38Å; Q128-S132 PolarHBondContact O-N 3.08Å; Q128-S132 PolarHBondContact O-OG 3.02Å
129	I	70.6	Confident	71	Confident	95 Å²	95	102.2 Å²	102.2	49%	0.487	52%	0.516	S	S	.	.	H	α-helix	trans	-69.3	-43.4	170.3	-71.1	165.5	0	0	0	110.3	M125 S126 S132 S133	M125-I129 HydrophobicContact CE-CD1 4.42Å; M125-I129 HydrophobicContact CG-CD1 3.99Å; M125-I129 HydrophobicContact CG-CG1 4.37Å; M125-I129 WeakPolarHBondContact O-CB 3.23Å; M125-I129 VanDerWaalsContact O-CG1 3.26Å; M125-I129 WeakPolarHBondContact O-CG1 3.35Å; M125-I129 PolarHBondContact O-N 3Å; S126-I129 PolarHBondContact O-N 3.29Å; I129-S132 PolarHBondContact O-N 3.47Å; I129-S133 WeakPolarHBondContact O-CB 3.38Å; I129-S133 PolarHBondContact O-N 2.83Å; I129-S133 PolarHBondContact O-OG 3.42Å
130	Q	73	Confident	71.7	Confident	127 Å²	127	102 Å²	102	59%	0.593	52%	0.515	S	S	*	.	H	α-helix	trans	-67.4	-39.8	176.3	-168	171.4	7.6	0	0	111.1	S126 S133 N134	S126-Q130 VanDerWaalsContact O-CB 3.28Å; S126-Q130 WeakPolarHBondContact O-CB 3.48Å; S126-Q130 PolarHBondContact O-N 2.98Å; Q130-S133 PolarHBondContact O-N 2.96Å; Q130-N134 WeakPolarHBondContact O-CB 3.5Å; Q130-N134 PolarHBondContact O-N 2.94Å; Q130-N134 PolarHBondContact O-ND2 3.39Å
131	F	74.7	Confident	72.7	Confident	126 Å²	126	102 Å²	102	55%	0.553	51%	0.511	S	S	*	.	H	α-helix	trans	-59.1	-48.9	169.7	176.8	-97.3	0	0	0	111.6	S127 S133 N134 V135	S127-F131 WeakPolarHBondContact O-CB 3.24Å; S127-F131 PolarHBondContact O-N 3.48Å; F131-S133 VanDerWaalsContact C-N 3.31Å; F131-S133 PolarHBondContact O-N 2.66Å; F131-N134 WeakPolarHBondContact O-CB 3.4Å; F131-N134 PolarHBondContact O-N 2.74Å; F131-N134 VanDerWaalsContact O-N 3.17Å; F131-V135 HydrophobicContact CD1-CG2 4.14Å; F131-V135 HydrophobicContact CE1-CG2 3.76Å; F131-V135 HydrophobicContact CE2-CG2 4.23Å; F131-V135 HydrophobicContact CZ-CG2 3.81Å; F131-V135 WeakPolarHBondContact O-CG2 3.48Å; F131-V135 PolarHBondContact O-N 2.66Å
132	S	69.5	Low	73.7	Confident	58 Å²	58	97.2 Å²	97.2	41%	0.406	50%	0.499	S	S	.	.	H	α-helix	trans	-61.6	-39.3	178.5	-60.7	0	0	0	0	112.1	Q128 I129 V135 L136	Q128-S132 VanDerWaalsContact O-CB 3.29Å; Q128-S132 WeakPolarHBondContact O-CB 3.38Å; Q128-S132 PolarHBondContact O-N 3.08Å; Q128-S132 PolarHBondContact O-OG 3.02Å; I129-S132 PolarHBondContact O-N 3.47Å; S132-V135 PolarHBondContact O-N 2.63Å; S132-L136 WeakPolarHBondContact O-CB 3.19Å; S132-L136 WeakPolarHBondContact O-CG 3.47Å; S132-L136 PolarHBondContact O-N 2.9Å
133	S	73	Confident	74.6	Confident	63 Å²	63	96.2 Å²	96.2	44%	0.441	49%	0.494	S	S	.	.	H	α-helix	trans	-66.1	-41.4	174.6	-58.7	0	0	0	0	112	I129 Q130 F131 L136 H137	I129-S133 WeakPolarHBondContact O-CB 3.38Å; I129-S133 PolarHBondContact O-N 2.83Å; I129-S133 PolarHBondContact O-OG 3.42Å; Q130-S133 PolarHBondContact O-N 2.96Å; F131-S133 VanDerWaalsContact C-N 3.31Å; F131-S133 PolarHBondContact O-N 2.66Å; S133-L136 PolarHBondContact O-N 3.48Å; S133-H137 WeakPolarHBondContact O-CB 3.37Å; S133-H137 PolarHBondContact O-N 2.82Å
134	N	78.3	Confident	75.6	Confident	95 Å²	95	96.1 Å²	96.1	51%	0.508	49%	0.49	S	S	.	.	H	α-helix	trans	-64.7	-38.5	174.3	-72.5	-25.3	0	0	0	111.9	Q130 F131 R138	Q130-N134 WeakPolarHBondContact O-CB 3.5Å; Q130-N134 PolarHBondContact O-N 2.94Å; Q130-N134 PolarHBondContact O-ND2 3.39Å; F131-N134 WeakPolarHBondContact O-CB 3.4Å; F131-N134 PolarHBondContact O-N 2.74Å; F131-N134 VanDerWaalsContact O-N 3.17Å; N134-R138 WeakPolarHBondContact O-CB 3.28Å; N134-R138 PolarHBondContact O-N 3.06Å
135	V	75.1	Confident	76.6	Confident	62 Å²	62	96 Å²	96	38%	0.376	49%	0.489	S	S	.	.	H	α-helix	trans	-64	-47.5	173.9	168.7	0	0	0	0	110.8	F131 S132 R138 W139	F131-V135 HydrophobicContact CD1-CG2 4.14Å; F131-V135 HydrophobicContact CE1-CG2 3.76Å; F131-V135 HydrophobicContact CE2-CG2 4.23Å; F131-V135 HydrophobicContact CZ-CG2 3.81Å; F131-V135 WeakPolarHBondContact O-CG2 3.48Å; F131-V135 PolarHBondContact O-N 2.66Å; S132-V135 PolarHBondContact O-N 2.63Å; V135-R138 PolarHBondContact O-N 3.47Å; V135-W139 WeakPolarHBondContact O-CB 3.13Å; V135-W139 PolarHBondContact O-N 2.78Å
136	L	76.1	Confident	77.4	Confident	104 Å²	104	94.9 Å²	94.9	55%	0.545	49%	0.485	S	S	.	.	H	α-helix	trans	-60.8	-45.6	176.7	-76.8	166.6	0	0	0	112.4	S132 S133 R138 W139 N140	S132-L136 WeakPolarHBondContact O-CB 3.19Å; S132-L136 WeakPolarHBondContact O-CG 3.47Å; S132-L136 PolarHBondContact O-N 2.9Å; S133-L136 PolarHBondContact O-N 3.48Å; L136-R138 PolarHBondContact O-N 3.16Å; L136-W139 HydrophobicContact CD2-CE3 4.13Å; L136-W139 HydrophobicContact CD2-CZ3 4.35Å; L136-W139 PolarHBondContact O-N 3.09Å; L136-N140 PolarHBondContact O-N 2.74Å
137	H	79.9	Confident	78.3	Confident	128 Å²	128	97.2 Å²	97.2	59%	0.593	49%	0.489	S	S	*	.	H	α-helix	trans	-63	-44.3	177.9	-176.3	31.2	0	0	0	111.4	S133 N140 T141	S133-H137 WeakPolarHBondContact O-CB 3.37Å; S133-H137 PolarHBondContact O-N 2.82Å; H137-N140 PolarHBondContact O-N 3.26Å; H137-T141 PolarHBondContact O-N 2.89Å; H137-T141 PolarHBondContact O-OG1 3.44Å
138	R	80.7	Confident	79.1	Confident	131 Å²	131	96.7 Å²	96.7	49%	0.494	49%	0.489	S	S	.	.	H	α-helix	trans	-69.2	-32.2	179.4	-164.9	172.4	-177.8	131.2	-8.3	112.8	N134 V135 L136 C142 N844	N134-R138 WeakPolarHBondContact O-CB 3.28Å; N134-R138 PolarHBondContact O-N 3.06Å; V135-R138 PolarHBondContact O-N 3.47Å; L136-R138 PolarHBondContact O-N 3.16Å; R138-C142 VanDerWaalsContact O-CB 3.24Å; R138-C142 WeakPolarHBondContact O-CB 3.35Å; R138-C142 PolarHBondContact O-N 2.85Å; R138-N844 WeakPolarHBondContact CD-ND2 3.39Å; R138-N844 PolarHBondContact NE-OD1 3.27Å; R138-N844 PolarHBondContact NH1-OD1 2.94Å; R138-N844 PolarHBondContact NH2-OD1 3.48Å
139	W	81.2	Confident	79.8	Confident	179 Å²	179	95.4 Å²	95.4	68%	0.678	49%	0.486	S	S	*	.	H	α-helix	trans	-63.2	-46.3	169.7	177.6	19.5	0	0	0	111	V135 L136 T141 C142 D143	V135-W139 WeakPolarHBondContact O-CB 3.13Å; V135-W139 PolarHBondContact O-N 2.78Å; L136-W139 HydrophobicContact CD2-CE3 4.13Å; L136-W139 HydrophobicContact CD2-CZ3 4.35Å; L136-W139 PolarHBondContact O-N 3.09Å; W139-T141 PolarHBondContact O-N 2.94Å; W139-C142 CarbonylContact O-C 3.59Å; W139-C142 WeakPolarHBondContact O-CB 3.35Å; W139-C142 PolarHBondContact O-N 2.81Å; W139-D143 PolarHBondContact O-N 2.95Å
140	N	81.3	Confident	80.6	Confident	90 Å²	90	96.3 Å²	96.3	48%	0.481	49%	0.486	S	S	.	.	H	α-helix	trans	-62.4	-42.8	178.1	-165.5	-7	0	0	0	112.1	L136 H137 C142 D143 Q144	L136-N140 PolarHBondContact O-N 2.74Å; H137-N140 PolarHBondContact O-N 3.26Å; N140-C142 PolarHBondContact O-N 3.43Å; N140-D143 PolarHBondContact O-N 2.71Å; N140-Q144 WeakPolarHBondContact O-CG 3.29Å; N140-Q144 PolarHBondContact O-N 3.25Å; N140-Q144 PolarHBondContact OD1-NE2 2.86Å
141	T	83.2	Confident	81.3	Confident	51 Å²	51	93.2 Å²	93.2	31%	0.313	48%	0.479	S	S	.	.	H	α-helix	trans	-60.9	-43.8	172.5	-53.9	0	0	0	0	111.8	H137 W139 D143 Q144 E145	H137-T141 PolarHBondContact O-N 2.89Å; H137-T141 PolarHBondContact O-OG1 3.44Å; W139-T141 PolarHBondContact O-N 2.94Å; T141-D143 VanDerWaalsContact C-N 3.33Å; T141-D143 PolarHBondContact O-N 3.18Å; T141-Q144 PolarHBondContact O-N 2.86Å; T141-E145 WeakPolarHBondContact O-CG 3.37Å; T141-E145 PolarHBondContact O-N 3.38Å
142	C	81.3	Confident	81.9	Confident	58 Å²	58	90.9 Å²	90.9	39%	0.392	47%	0.471	S	S	.	.	H	α-helix	trans	-64.7	-34.1	177.2	-172.4	0	0	0	0	112.4	R138 W139 N140 N146	R138-C142 VanDerWaalsContact O-CB 3.24Å; R138-C142 WeakPolarHBondContact O-CB 3.35Å; R138-C142 PolarHBondContact O-N 2.85Å; W139-C142 CarbonylContact O-C 3.59Å; W139-C142 WeakPolarHBondContact O-CB 3.35Å; W139-C142 PolarHBondContact O-N 2.81Å; N140-C142 PolarHBondContact O-N 3.43Å; C142-N146 WeakPolarHBondContact O-CB 3.27Å; C142-N146 PolarHBondContact O-N 3.39Å; C142-N146 PolarHBondContact O-ND2 3.18Å
143	D	83.7	Confident	82.7	Confident	62 Å²	62	92.3 Å²	92.3	33%	0.332	47%	0.474	S	S	.	.	H	α-helix	trans	-68.1	-42.3	173.7	-170	67.9	0	0	0	111.5	W139 N140 T141 E145 N146 Q147	W139-D143 PolarHBondContact O-N 2.95Å; N140-D143 PolarHBondContact O-N 2.71Å; T141-D143 VanDerWaalsContact C-N 3.33Å; T141-D143 PolarHBondContact O-N 3.18Å; D143-E145 PolarHBondContact O-N 3.01Å; D143-N146 CarbonylContact O-C 3.51Å; D143-N146 WeakPolarHBondContact O-CB 3.42Å; D143-N146 PolarHBondContact O-N 3.47Å; D143-N146 VanDerWaalsContact O-N 3.16Å; D143-Q147 WeakPolarHBondContact O-CG 3.47Å; D143-Q147 PolarHBondContact O-N 3.25Å; D143-Q147 PolarHBondContact OD2-NE2 2.81Å
144	Q	86	Confident	83.4	Confident	114 Å²	114	96.9 Å²	96.9	53%	0.533	48%	0.481	S	S	.	.	H	α-helix	trans	-61.3	-43	174.2	-67.5	172.9	26.3	0	0	112.1	N140 T141 Q147 A148	N140-Q144 WeakPolarHBondContact O-CG 3.29Å; N140-Q144 PolarHBondContact O-N 3.25Å; N140-Q144 PolarHBondContact OD1-NE2 2.86Å; T141-Q144 PolarHBondContact O-N 2.86Å; Q144-Q147 PolarHBondContact O-N 3.24Å; Q144-A148 PolarHBondContact O-N 3.26Å
145	E	85.6	Confident	83.9	Confident	118 Å²	118	95.2 Å²	95.2	55%	0.551	47%	0.472	S	S	*	.	H	α-helix	trans	-62.1	-41.9	172.7	-72.2	177.4	167.8	0	0	111.5	T141 D143 Q147 A148 L149	T141-E145 WeakPolarHBondContact O-CG 3.37Å; T141-E145 PolarHBondContact O-N 3.38Å; D143-E145 PolarHBondContact O-N 3.01Å; E145-Q147 PolarHBondContact O-N 2.77Å; E145-A148 PolarHBondContact O-N 3.02Å; E145-L149 WeakPolarHBondContact O-CB 3.5Å; E145-L149 VanDerWaalsContact O-CG 3.31Å; E145-L149 WeakPolarHBondContact O-CG 3.46Å; E145-L149 PolarHBondContact O-N 2.98Å
146	N	84.9	Confident	84.4	Confident	69 Å²	69	99 Å²	99	37%	0.369	48%	0.481	S	S	.	.	H	α-helix	trans	-63.5	-37.9	174.1	-89.7	-77.6	0	0	0	113	C142 D143 K150	C142-N146 WeakPolarHBondContact O-CB 3.27Å; C142-N146 PolarHBondContact O-N 3.39Å; C142-N146 PolarHBondContact O-ND2 3.18Å; D143-N146 CarbonylContact O-C 3.51Å; D143-N146 WeakPolarHBondContact O-CB 3.42Å; D143-N146 PolarHBondContact O-N 3.47Å; D143-N146 VanDerWaalsContact O-N 3.16Å; N146-K150 WeakPolarHBondContact O-CB 3.44Å; N146-K150 WeakPolarHBondContact O-CD 3.32Å; N146-K150 VanDerWaalsContact O-CG 3.23Å; N146-K150 WeakPolarHBondContact O-CG 3.45Å; N146-K150 PolarHBondContact O-N 3.33Å
147	Q	85.8	Confident	85	Confident	115 Å²	115	99.8 Å²	99.8	54%	0.537	48%	0.482	S	S	.	.	H	α-helix	trans	-66	-41.4	174.7	-70.1	-177.5	32.4	0	0	111.3	D143 Q144 E145 K150 S151	D143-Q147 WeakPolarHBondContact O-CG 3.47Å; D143-Q147 PolarHBondContact O-N 3.25Å; D143-Q147 PolarHBondContact OD2-NE2 2.81Å; Q144-Q147 PolarHBondContact O-N 3.24Å; E145-Q147 PolarHBondContact O-N 2.77Å; Q147-K150 PolarHBondContact O-N 2.79Å; Q147-S151 PolarHBondContact O-N 3.26Å; Q147-S151 VanDerWaalsContact O-N 3.1Å
148	A	87.5	Confident	85.4	Confident	62 Å²	62	100.8 Å²	100.8	51%	0.512	48%	0.48	S	S	.	.	H	α-helix	trans	-63.8	-45.1	174.1	0	0	0	0	0	112	Q144 E145 S151 L152	Q144-A148 PolarHBondContact O-N 3.26Å; E145-A148 PolarHBondContact O-N 3.02Å; A148-S151 WeakPolarHBondContact O-CB 3.39Å; A148-S151 PolarHBondContact O-N 3.31Å; A148-S151 VanDerWaalsContact O-N 3.16Å; A148-L152 PolarHBondContact O-N 3.31Å
149	L	85.4	Confident	85.7	Confident	96 Å²	96	98.6 Å²	98.6	50%	0.503	48%	0.478	S	S	.	.	H	α-helix	trans	-62.3	-41.8	175.7	-73.3	170.1	0	0	0	112.1	E145 S151 L152 I153	E145-L149 WeakPolarHBondContact O-CB 3.5Å; E145-L149 VanDerWaalsContact O-CG 3.31Å; E145-L149 WeakPolarHBondContact O-CG 3.46Å; E145-L149 PolarHBondContact O-N 2.98Å; L149-S151 VanDerWaalsContact C-N 3.28Å; L149-S151 PolarHBondContact O-N 3.14Å; L149-L152 PolarHBondContact O-N 3.23Å; L149-L152 VanDerWaalsContact O-N 3.15Å; L149-I153 VanDerWaalsContact O-CG1 3.31Å; L149-I153 WeakPolarHBondContact O-CG1 3.26Å; L149-I153 PolarHBondContact O-N 2.9Å
150	K	86.3	Confident	85.9	Confident	114 Å²	114	92 Å²	92	50%	0.496	46%	0.458	S	S	.	.	H	α-helix	trans	-58.8	-38.3	172.7	-77	165.6	-177.4	169	0	112.2	N146 Q147 R154	N146-K150 WeakPolarHBondContact O-CB 3.44Å; N146-K150 WeakPolarHBondContact O-CD 3.32Å; N146-K150 VanDerWaalsContact O-CG 3.23Å; N146-K150 WeakPolarHBondContact O-CG 3.45Å; N146-K150 PolarHBondContact O-N 3.33Å; Q147-K150 PolarHBondContact O-N 2.79Å; K150-R154 WeakPolarHBondContact O-CG 3.12Å; K150-R154 PolarHBondContact O-N 3.27Å
151	S	88.2	Confident	86.1	Confident	63 Å²	63	90.5 Å²	90.5	44%	0.441	46%	0.458	S	S	.	.	H	α-helix	trans	-68.6	-39.3	175	-164.7	0	0	0	0	112.2	Q147 A148 L149 R154 N155	Q147-S151 PolarHBondContact O-N 3.26Å; Q147-S151 VanDerWaalsContact O-N 3.1Å; A148-S151 WeakPolarHBondContact O-CB 3.39Å; A148-S151 PolarHBondContact O-N 3.31Å; A148-S151 VanDerWaalsContact O-N 3.16Å; L149-S151 VanDerWaalsContact C-N 3.28Å; L149-S151 PolarHBondContact O-N 3.14Å; S151-R154 PolarHBondContact O-N 3.49Å; S151-N155 PolarHBondContact O-N 3.14Å
152	L	87.9	Confident	86.4	Confident	76 Å²	76	91.1 Å²	91.1	40%	0.398	46%	0.464	S	S	.	.	H	α-helix	trans	-67.8	-40.6	177.7	-172.1	65	0	0	0	112.3	A148 L149 R154 N155 Y156	A148-L152 PolarHBondContact O-N 3.31Å; L149-L152 PolarHBondContact O-N 3.23Å; L149-L152 VanDerWaalsContact O-N 3.15Å; L152-R154 VanDerWaalsContact C-N 3.34Å; L152-R154 PolarHBondContact O-N 2.85Å; L152-N155 WeakPolarHBondContact O-CB 3.47Å; L152-N155 PolarHBondContact O-N 3.47Å; L152-Y156 HydrophobicContact CD1-CE2 3.99Å; L152-Y156 HydrophobicContact CD2-CE2 3.9Å; L152-Y156 HydrophobicContact CG-CD2 4.02Å; L152-Y156 HydrophobicContact CG-CE2 3.59Å; L152-Y156 WeakPolarHBondContact O-CD2 3.39Å; L152-Y156 PolarHBondContact O-N 3.36Å
153	I	85.6	Confident	86.6	Confident	89 Å²	89	93.7 Å²	93.7	46%	0.456	47%	0.473	S	S	.	.	H	α-helix	trans	-57.7	-46.4	173.6	-70.4	163.9	0	0	0	110.4	L149 N155 Y156 E157	L149-I153 VanDerWaalsContact O-CG1 3.31Å; L149-I153 WeakPolarHBondContact O-CG1 3.26Å; L149-I153 PolarHBondContact O-N 2.9Å; I153-N155 PolarHBondContact O-N 3.07Å; I153-N155 VanDerWaalsContact O-N 3.16Å; I153-Y156 PolarHBondContact O-N 2.62Å; I153-Y156 VanDerWaalsContact O-N 3.12Å; I153-E157 HydrophobicContact CG2-CG 4.19Å; I153-E157 WeakPolarHBondContact O-CG 3.43Å; I153-E157 PolarHBondContact O-N 3.09Å
154	R	87.2	Confident	86.7	Confident	158 Å²	158	97.5 Å²	97.5	60%	0.596	48%	0.483	S	S	*	.	H	α-helix	trans	-63.9	-17.3	175.6	-67.5	178.7	-161.5	162.6	3.5	114.8	K150 S151 L152 E157 R158	K150-R154 WeakPolarHBondContact O-CG 3.12Å; K150-R154 PolarHBondContact O-N 3.27Å; S151-R154 PolarHBondContact O-N 3.49Å; L152-R154 VanDerWaalsContact C-N 3.34Å; L152-R154 PolarHBondContact O-N 2.85Å; R154-E157 WeakPolarHBondContact CA-OE2 3.29Å; R154-R158 VanDerWaalsContact O-CZ 3.26Å; R154-R158 PolarHBondContact O-NE 3.4Å; R154-R158 VanDerWaalsContact O-NE 3.15Å; R154-R158 PolarHBondContact O-NH2 3.5Å
155	N	88.5	Confident	86.7	Confident	61 Å²	61	98 Å²	98	33%	0.326	49%	0.485	S	S	.	.	H	α-helix	trans	-80.2	-52.2	169.8	-69.7	-28.1	0	0	0	109.3	S151 L152 I153 E157 R158 D159	S151-N155 PolarHBondContact O-N 3.14Å; L152-N155 WeakPolarHBondContact O-CB 3.47Å; L152-N155 PolarHBondContact O-N 3.47Å; I153-N155 PolarHBondContact O-N 3.07Å; I153-N155 VanDerWaalsContact O-N 3.16Å; N155-E157 VanDerWaalsContact C-N 3.29Å; N155-E157 PolarHBondContact O-N 3.1Å; N155-R158 WeakPolarHBondContact O-CA 3.26Å; N155-R158 WeakPolarHBondContact O-CB 3.35Å; N155-R158 PolarHBondContact O-N 3.35Å; N155-R158 PolarHBondContact OD1-NH1 2.84Å; N155-R158 PolarHBondContact OD1-NH2 3.36Å; N155-D159 PolarHBondContact O-N 2.99Å
156	Y	87.2	Confident	86.8	Confident	141 Å²	141	97.6 Å²	97.6	55%	0.553	48%	0.483	S	S	*	.	H	α-helix	trans	-59.4	-35.6	177.8	-70.6	-52.4	0	0	0	113.5	L152 I153 R158 D159 V160	L152-Y156 HydrophobicContact CD1-CE2 3.99Å; L152-Y156 HydrophobicContact CD2-CE2 3.9Å; L152-Y156 HydrophobicContact CG-CD2 4.02Å; L152-Y156 HydrophobicContact CG-CE2 3.59Å; L152-Y156 WeakPolarHBondContact O-CD2 3.39Å; L152-Y156 PolarHBondContact O-N 3.36Å; I153-Y156 PolarHBondContact O-N 2.62Å; I153-Y156 VanDerWaalsContact O-N 3.12Å; Y156-R158 VanDerWaalsContact C-N 3.27Å; Y156-R158 PolarHBondContact O-N 3.06Å; Y156-D159 PolarHBondContact O-N 2.91Å; Y156-V160 WeakPolarHBondContact O-CB 3.14Å; Y156-V160 VanDerWaalsContact O-CG2 3.32Å; Y156-V160 WeakPolarHBondContact O-CG2 3.44Å; Y156-V160 PolarHBondContact O-N 3.39Å
157	E	87.4	Confident	86.8	Confident	121 Å²	121	99.2 Å²	99.2	57%	0.565	49%	0.485	S	S	*	.	H	α-helix	trans	-59.6	-35.8	173.3	-74.5	171.2	159.9	0	0	112.5	I153 R154 N155 A161	I153-E157 HydrophobicContact CG2-CG 4.19Å; I153-E157 WeakPolarHBondContact O-CG 3.43Å; I153-E157 PolarHBondContact O-N 3.09Å; R154-E157 WeakPolarHBondContact CA-OE2 3.29Å; N155-E157 VanDerWaalsContact C-N 3.29Å; N155-E157 PolarHBondContact O-N 3.1Å; E157-A161 WeakPolarHBondContact O-CB 3.35Å; E157-A161 PolarHBondContact O-N 2.91Å; E157-A161 VanDerWaalsContact O-N 3.16Å
158	R	89.1	Confident	86.7	Confident	149 Å²	149	95.6 Å²	95.6	56%	0.562	48%	0.479	S	S	*	.	H	α-helix	trans	-73.1	-40.1	173.7	-93.1	177.3	-77.3	122.1	-1.5	112	R154 N155 Y156 A161 S162	R154-R158 VanDerWaalsContact O-CZ 3.26Å; R154-R158 PolarHBondContact O-NE 3.4Å; R154-R158 VanDerWaalsContact O-NE 3.15Å; R154-R158 PolarHBondContact O-NH2 3.5Å; N155-R158 WeakPolarHBondContact O-CA 3.26Å; N155-R158 WeakPolarHBondContact O-CB 3.35Å; N155-R158 PolarHBondContact O-N 3.35Å; N155-R158 PolarHBondContact OD1-NH1 2.84Å; N155-R158 PolarHBondContact OD1-NH2 3.36Å; Y156-R158 VanDerWaalsContact C-N 3.27Å; Y156-R158 PolarHBondContact O-N 3.06Å; R158-A161 PolarHBondContact O-N 2.86Å; R158-S162 PolarHBondContact O-N 3.39Å
159	D	87.2	Confident	86.7	Confident	84 Å²	84	96.8 Å²	96.8	45%	0.449	47%	0.473	S	S	.	.	H	α-helix	trans	-66.2	-43.1	179	-59.6	-24.6	0	0	0	110.9	N155 Y156 A161 S162 I163	N155-D159 PolarHBondContact O-N 2.99Å; Y156-D159 PolarHBondContact O-N 2.91Å; D159-A161 PolarHBondContact O-N 2.86Å; D159-S162 WeakPolarHBondContact O-CB 3.34Å; D159-S162 PolarHBondContact O-N 3.08Å; D159-I163 WeakPolarHBondContact O-CG1 3.35Å; D159-I163 PolarHBondContact O-N 3.28Å
160	V	84.8	Confident	86.6	Confident	40 Å²	40	95.4 Å²	95.4	24%	0.242	47%	0.472	C	S	.	.	H	α-helix	trans	-62.3	-40.1	173.7	170.3	0	0	0	0	111.6	Y156 S162 I163 R164	Y156-V160 WeakPolarHBondContact O-CB 3.14Å; Y156-V160 VanDerWaalsContact O-CG2 3.32Å; Y156-V160 WeakPolarHBondContact O-CG2 3.44Å; Y156-V160 PolarHBondContact O-N 3.39Å; V160-S162 VanDerWaalsContact C-N 3.33Å; V160-S162 PolarHBondContact O-N 3.2Å; V160-I163 PolarHBondContact O-N 2.83Å; V160-R164 HydrophobicContact CG1-CG 4.39Å; V160-R164 WeakPolarHBondContact O-CB 3.42Å; V160-R164 WeakPolarHBondContact O-CG 3.33Å; V160-R164 PolarHBondContact O-N 3.17Å
161	A	86	Confident	86.6	Confident	59 Å²	59	92.5 Å²	92.5	49%	0.488	46%	0.459	S	S	.	.	H	α-helix	trans	-61.4	-41.2	174.6	0	0	0	0	0	112.1	E157 R158 D159 Q165	E157-A161 WeakPolarHBondContact O-CB 3.35Å; E157-A161 PolarHBondContact O-N 2.91Å; E157-A161 VanDerWaalsContact O-N 3.16Å; R158-A161 PolarHBondContact O-N 2.86Å; D159-A161 PolarHBondContact O-N 2.86Å; A161-Q165 PolarHBondContact O-N 3.4Å
162	S	88.2	Confident	86.4	Confident	64 Å²	64	92.3 Å²	92.3	45%	0.448	46%	0.461	S	S	.	.	H	α-helix	trans	-64.8	-44.2	175	-166.2	0	0	0	0	112.4	R158 D159 V160 Q165 H166	R158-S162 PolarHBondContact O-N 3.39Å; D159-S162 WeakPolarHBondContact O-CB 3.34Å; D159-S162 PolarHBondContact O-N 3.08Å; V160-S162 VanDerWaalsContact C-N 3.33Å; V160-S162 PolarHBondContact O-N 3.2Å; S162-Q165 PolarHBondContact O-N 2.69Å; S162-H166 PolarHBondContact O-N 2.98Å
163	I	86.4	Confident	86.4	Confident	112 Å²	112	95.4 Å²	95.4	57%	0.574	47%	0.474	S	S	*	.	H	α-helix	trans	-63.9	-42.6	178	-69	164.9	0	0	0	111.2	D159 V160 Q165 H166 Y167	D159-I163 WeakPolarHBondContact O-CG1 3.35Å; D159-I163 PolarHBondContact O-N 3.28Å; V160-I163 PolarHBondContact O-N 2.83Å; I163-Q165 VanDerWaalsContact C-N 3.3Å; I163-Q165 PolarHBondContact O-N 2.94Å; I163-H166 PolarHBondContact O-N 3.32Å; I163-Y167 WeakPolarHBondContact O-CB 3.15Å; I163-Y167 PolarHBondContact O-N 2.9Å
164	R	86.3	Confident	86.4	Confident	142 Å²	142	95.2 Å²	95.2	54%	0.536	47%	0.473	S	S	.	.	H	α-helix	trans	-62.7	-34.9	176.8	-77.1	178.4	175.9	168	-0.5	112.7	V160 G168 D256	V160-R164 HydrophobicContact CG1-CG 4.39Å; V160-R164 WeakPolarHBondContact O-CB 3.42Å; V160-R164 WeakPolarHBondContact O-CG 3.33Å; V160-R164 PolarHBondContact O-N 3.17Å; R164-G168 PolarHBondContact O-N 3.18Å; R164-D256 IonicContact CZ-OD2 3.72Å; R164-D256 IonicContact NE-OD2 2.82Å; R164-D256 PolarHBondContact NE-OD2 2.89Å; R164-D256 IonicContact NH2-OD2 3.79Å; R164-D256 PolarHBondContact NH2-OD2 3.22Å
165	Q	85.8	Confident	86.2	Confident	124 Å²	124	93 Å²	93	58%	0.579	47%	0.473	S	S	*	.	H	α-helix	trans	-62.8	-52.7	173.2	-174.9	-175.8	-30.5	0	0	110.9	A161 S162 I163 Y167 G168 E169	A161-Q165 PolarHBondContact O-N 3.4Å; S162-Q165 PolarHBondContact O-N 2.69Å; I163-Q165 VanDerWaalsContact C-N 3.3Å; I163-Q165 PolarHBondContact O-N 2.94Å; Q165-Y167 VanDerWaalsContact C-N 3.29Å; Q165-Y167 PolarHBondContact O-N 3.26Å; Q165-G168 PolarHBondContact O-N 3.44Å; Q165-E169 PolarHBondContact NE2-OE1 3.1Å; Q165-E169 PolarHBondContact O-N 3.07Å
166	H	87.3	Confident	86.1	Confident	111 Å²	111	96.1 Å²	96.1	51%	0.514	49%	0.485	S	S	.	.	H	α-helix	trans	-63.2	-32.3	178.4	-77	-40.9	0	0	0	113.7	S162 I163 E169 S170	S162-H166 PolarHBondContact O-N 2.98Å; I163-H166 PolarHBondContact O-N 3.32Å; H166-E169 IonicContact CE1-OE2 3.49Å; H166-E169 IonicContact CG-OE2 2.72Å; H166-E169 IonicContact ND1-OE2 3.71Å; H166-E169 PolarHBondContact ND1-OE2 2.67Å; H166-E169 PolarHBondContact O-N 3.01Å; H166-S170 WeakPolarHBondContact O-CB 3.06Å; H166-S170 PolarHBondContact O-N 3.23Å; H166-S170 PolarHBondContact O-OG 2.95Å
167	Y	84.4	Confident	86.1	Confident	102 Å²	102	91.6 Å²	91.6	40%	0.4	48%	0.477	S	S	.	.	H	α-helix	trans	-64.8	-41.4	171.6	174.7	-100.4	0	0	0	111.7	I163 Q165 S170 K171 D252	I163-Y167 WeakPolarHBondContact O-CB 3.15Å; I163-Y167 PolarHBondContact O-N 2.9Å; Q165-Y167 VanDerWaalsContact C-N 3.29Å; Q165-Y167 PolarHBondContact O-N 3.26Å; Y167-S170 PolarHBondContact O-N 3.34Å; Y167-K171 HydrophobicContact CE1-CD 3.96Å; Y167-K171 VanDerWaalsContact O-CB 3.24Å; Y167-K171 WeakPolarHBondContact O-CB 3.21Å; Y167-K171 PolarHBondContact O-N 2.86Å; Y167-D252 PolarHBondContact OH-OD1 3.02Å
168	G	84.4	Confident	86	Confident	40 Å²	40	90.3 Å²	90.3	41%	0.412	47%	0.467	S	S	.	.	H	α-helix	trans	-61.2	-43.9	174.5	0	0	0	0	0	113	R164 Q165 K171 A172	R164-G168 PolarHBondContact O-N 3.18Å; Q165-G168 PolarHBondContact O-N 3.44Å; G168-K171 PolarHBondContact O-N 2.94Å; G168-A172 PolarHBondContact O-N 3.26Å; G168-A172 VanDerWaalsContact O-N 3.16Å
169	E	87.5	Confident	85.8	Confident	86 Å²	86	87.2 Å²	87.2	40%	0.402	47%	0.468	S	S	.	.	H	α-helix	trans	-59.7	-51.3	174	-68	162.7	-179.1	0	0	110.7	Q165 H166 K171 A172 E173	Q165-E169 PolarHBondContact NE2-OE1 3.1Å; Q165-E169 PolarHBondContact O-N 3.07Å; H166-E169 IonicContact CE1-OE2 3.49Å; H166-E169 IonicContact CG-OE2 2.72Å; H166-E169 IonicContact ND1-OE2 3.71Å; H166-E169 PolarHBondContact ND1-OE2 2.67Å; H166-E169 PolarHBondContact O-N 3.01Å; E169-K171 VanDerWaalsContact C-N 3.35Å; E169-K171 PolarHBondContact O-N 2.87Å; E169-A172 WeakPolarHBondContact O-CB 3.5Å; E169-A172 PolarHBondContact O-N 2.86Å; E169-E173 PolarHBondContact O-N 2.96Å
170	S	84.1	Confident	85.9	Confident	68 Å²	68	88.6 Å²	88.6	48%	0.476	47%	0.472	S	S	.	.	H	α-helix	trans	-63.8	-35.5	179.9	-54.2	0	0	0	0	113.4	H166 Y167 E173 L174	H166-S170 WeakPolarHBondContact O-CB 3.06Å; H166-S170 PolarHBondContact O-N 3.23Å; H166-S170 PolarHBondContact O-OG 2.95Å; Y167-S170 PolarHBondContact O-N 3.34Å; S170-E173 PolarHBondContact O-N 3.31Å; S170-L174 WeakPolarHBondContact O-CB 3.35Å; S170-L174 PolarHBondContact O-N 2.92Å
171	K	85.4	Confident	85.9	Confident	52 Å²	52	90.4 Å²	90.4	23%	0.226	48%	0.483	C	S	.	.	H	α-helix	trans	-67.9	-35.6	177.3	179	163.1	174.6	156.6	0	111.5	Y167 G168 E169 L175 D252 D253	Y167-K171 HydrophobicContact CE1-CD 3.96Å; Y167-K171 VanDerWaalsContact O-CB 3.24Å; Y167-K171 WeakPolarHBondContact O-CB 3.21Å; Y167-K171 PolarHBondContact O-N 2.86Å; G168-K171 PolarHBondContact O-N 2.94Å; E169-K171 VanDerWaalsContact C-N 3.35Å; E169-K171 PolarHBondContact O-N 2.87Å; K171-L175 PolarHBondContact O-N 3.3Å; K171-L175 VanDerWaalsContact O-N 3.12Å; K171-D252 WeakPolarHBondContact CE-OD1 3.26Å; K171-D252 WeakPolarHBondContact CE-OD2 3.17Å; K171-D252 IonicContact NZ-OD1 3.71Å; K171-D252 PolarHBondContact NZ-OD1 3.15Å; K171-D252 IonicContact NZ-OD2 2.78Å; K171-D252 PolarHBondContact NZ-OD2 3.11Å; K171-D252 VanDerWaalsContact NZ-OD2 3.09Å; K171-D253 IonicContact NZ-OD1 3.65Å; K171-D253 PolarHBondContact NZ-OD1 3.17Å
172	A	84.4	Confident	85.8	Confident	59 Å²	59	90.3 Å²	90.3	49%	0.488	48%	0.483	S	S	.	.	H	α-helix	trans	-66	-46.6	173.6	0	0	0	0	0	111.8	G168 E169 L174 L175 E176	G168-A172 PolarHBondContact O-N 3.26Å; G168-A172 VanDerWaalsContact O-N 3.16Å; E169-A172 WeakPolarHBondContact O-CB 3.5Å; E169-A172 PolarHBondContact O-N 2.86Å; A172-L174 VanDerWaalsContact C-N 3.33Å; A172-L174 PolarHBondContact O-N 2.91Å; A172-L175 WeakPolarHBondContact O-CB 3.48Å; A172-L175 PolarHBondContact O-N 2.96Å; A172-E176 PolarHBondContact O-N 2.68Å; A172-E176 VanDerWaalsContact O-N 3.08Å
173	E	88.1	Confident	85.7	Confident	142 Å²	142	90 Å²	90	66%	0.664	48%	0.484	S	S	*	.	H	α-helix	trans	-58.8	-41.9	175.9	-68	-178	175.2	0	0	112.3	E169 S170 L175 E176 A177	E169-E173 PolarHBondContact O-N 2.96Å; S170-E173 PolarHBondContact O-N 3.31Å; E173-L175 PolarHBondContact O-N 3.29Å; E173-E176 PolarHBondContact O-N 3.47Å; E173-A177 WeakPolarHBondContact O-CB 3.41Å; E173-A177 PolarHBondContact O-N 3.33Å
174	L	84.3	Confident	85.8	Confident	84 Å²	84	90.2 Å²	90.2	44%	0.44	49%	0.486	S	S	.	.	H	α-helix	trans	-63.8	-39.2	176.6	179.6	62.5	0	0	0	112.6	S170 A172 R178	S170-L174 WeakPolarHBondContact O-CB 3.35Å; S170-L174 PolarHBondContact O-N 2.92Å; A172-L174 VanDerWaalsContact C-N 3.33Å; A172-L174 PolarHBondContact O-N 2.91Å; L174-R178 HydrophobicContact CD1-CG 4.44Å; L174-R178 WeakPolarHBondContact O-CB 3.44Å; L174-R178 VanDerWaalsContact O-CG 3.28Å; L174-R178 WeakPolarHBondContact O-CG 3.39Å; L174-R178 PolarHBondContact O-N 3.33Å
175	L	82.9	Confident	85.8	Confident	111 Å²	111	86.2 Å²	86.2	58%	0.581	48%	0.477	S	S	*	.	H	α-helix	trans	-64.2	-42.3	177.3	-115.4	147.8	0	0	0	111.4	K171 A172 E173 S179	K171-L175 PolarHBondContact O-N 3.3Å; K171-L175 VanDerWaalsContact O-N 3.12Å; A172-L175 WeakPolarHBondContact O-CB 3.48Å; A172-L175 PolarHBondContact O-N 2.96Å; E173-L175 PolarHBondContact O-N 3.29Å; L175-S179 PolarHBondContact O-N 3.09Å
176	E	87.5	Confident	85.8	Confident	127 Å²	127	82.8 Å²	82.8	59%	0.593	47%	0.469	S	S	*	.	H	α-helix	trans	-66.1	-47.8	175.6	-172	172.6	168.4	0	0	111.8	A172 E173 R178 S179 Q180	A172-E176 PolarHBondContact O-N 2.68Å; A172-E176 VanDerWaalsContact O-N 3.08Å; E173-E176 PolarHBondContact O-N 3.47Å; E176-R178 VanDerWaalsContact C-N 3.28Å; E176-R178 PolarHBondContact O-N 2.91Å; E176-S179 WeakPolarHBondContact O-CB 3.22Å; E176-S179 PolarHBondContact O-N 3.32Å; E176-S179 VanDerWaalsContact O-N 3.09Å; E176-Q180 WeakPolarHBondContact O-CG 3.4Å; E176-Q180 PolarHBondContact O-N 2.86Å
177	A	87.2	Confident	85.9	Confident	46 Å²	46	81.1 Å²	81.1	38%	0.38	47%	0.467	S	S	.	.	H	α-helix	trans	-58	-39.4	177.6	0	0	0	0	0	112.5	E173 Q180 V181	E173-A177 WeakPolarHBondContact O-CB 3.41Å; E173-A177 PolarHBondContact O-N 3.33Å; A177-Q180 PolarHBondContact O-N 3.18Å; A177-V181 WeakPolarHBondContact O-CG2 3.44Å; A177-V181 PolarHBondContact O-N 3.16Å
178	R	85.5	Confident	86	Confident	95 Å²	95	81 Å²	81	36%	0.358	47%	0.473	S	S	.	.	H	α-helix	trans	-64.7	-39.9	175.2	-78.8	169.6	157.9	-161.3	-14.4	112.9	L174 E176 Q180 V181 A182 T251	L174-R178 HydrophobicContact CD1-CG 4.44Å; L174-R178 WeakPolarHBondContact O-CB 3.44Å; L174-R178 VanDerWaalsContact O-CG 3.28Å; L174-R178 WeakPolarHBondContact O-CG 3.39Å; L174-R178 PolarHBondContact O-N 3.33Å; E176-R178 VanDerWaalsContact C-N 3.28Å; E176-R178 PolarHBondContact O-N 2.91Å; R178-Q180 VanDerWaalsContact C-N 3.34Å; R178-V181 PolarHBondContact O-N 3Å; R178-A182 PolarHBondContact O-N 3Å; R178-T251 VanDerWaalsContact CZ-OG1 3.27Å; R178-T251 PolarHBondContact NH1-OG1 3.2Å; R178-T251 PolarHBondContact NH2-OG1 2.83Å
179	S	84.4	Confident	86.1	Confident	84 Å²	84	85.2 Å²	85.2	59%	0.587	48%	0.482	S	S	*	.	H	α-helix	trans	-61.6	-42.9	175	-167.8	0	0	0	0	111.5	L175 E176 A182 A183	L175-S179 PolarHBondContact O-N 3.09Å; E176-S179 WeakPolarHBondContact O-CB 3.22Å; E176-S179 PolarHBondContact O-N 3.32Å; E176-S179 VanDerWaalsContact O-N 3.09Å; S179-A182 PolarHBondContact O-N 3.26Å; S179-A183 PolarHBondContact O-N 3.39Å; S179-A183 VanDerWaalsContact O-N 3.11Å
180	Q	88.3	Confident	86.1	Confident	113 Å²	113	86.5 Å²	86.5	53%	0.528	49%	0.492	S	S	.	.	H	α-helix	trans	-62.7	-42.6	175.4	-63.7	175.9	17.1	0	0	112.2	E176 A177 R178 A183 L184	E176-Q180 WeakPolarHBondContact O-CG 3.4Å; E176-Q180 PolarHBondContact O-N 2.86Å; A177-Q180 PolarHBondContact O-N 3.18Å; R178-Q180 VanDerWaalsContact C-N 3.34Å; Q180-A183 PolarHBondContact O-N 2.95Å; Q180-L184 WeakPolarHBondContact O-CG 3.47Å; Q180-L184 PolarHBondContact O-N 3.41Å; Q180-L184 VanDerWaalsContact O-N 3.14Å
181	V	86.2	Confident	86.3	Confident	77 Å²	77	87.9 Å²	87.9	47%	0.467	49%	0.493	S	S	.	.	H	α-helix	trans	-64.5	-42.4	175.8	171.9	0	0	0	0	111.8	A177 R178 A183 L184 V185	A177-V181 WeakPolarHBondContact O-CG2 3.44Å; A177-V181 PolarHBondContact O-N 3.16Å; R178-V181 PolarHBondContact O-N 3Å; V181-A183 VanDerWaalsContact C-N 3.33Å; V181-A183 PolarHBondContact O-N 2.84Å; V181-L184 PolarHBondContact O-N 2.96Å; V181-V185 HydrophobicContact CG1-CG2 4.37Å; V181-V185 WeakPolarHBondContact O-CG2 2.99Å; V181-V185 PolarHBondContact O-N 2.7Å
182	A	83.1	Confident	86.4	Confident	58 Å²	58	89.9 Å²	89.9	48%	0.479	51%	0.506	S	S	.	.	H	α-helix	trans	-60.3	-41.7	177.6	0	0	0	0	0	112.1	R178 S179 V185 A186	R178-A182 PolarHBondContact O-N 3Å; S179-A182 PolarHBondContact O-N 3.26Å; A182-V185 PolarHBondContact O-N 3.43Å; A182-A186 PolarHBondContact O-N 3.23Å
183	A	87.2	Confident	86.5	Confident	58 Å²	58	90.1 Å²	90.1	48%	0.479	50%	0.504	S	S	.	.	H	α-helix	trans	-63	-40.3	175	0	0	0	0	0	112.8	S179 Q180 V181 T187	S179-A183 PolarHBondContact O-N 3.39Å; S179-A183 VanDerWaalsContact O-N 3.11Å; Q180-A183 PolarHBondContact O-N 2.95Å; V181-A183 VanDerWaalsContact C-N 3.33Å; V181-A183 PolarHBondContact O-N 2.84Å; A183-T187 PolarHBondContact O-N 3.23Å; A183-T187 VanDerWaalsContact O-N 3.09Å; A183-T187 PolarHBondContact O-OG1 3.4Å
184	L	88.2	Confident	86.5	Confident	116 Å²	116	88.9 Å²	88.9	61%	0.607	50%	0.498	S	S	*	.	H	α-helix	trans	-66	-39.2	175.2	-73.4	169.2	0	0	0	112.5	Q180 V181 T187 N188	Q180-L184 WeakPolarHBondContact O-CG 3.47Å; Q180-L184 PolarHBondContact O-N 3.41Å; Q180-L184 VanDerWaalsContact O-N 3.14Å; V181-L184 PolarHBondContact O-N 2.96Å; L184-T187 PolarHBondContact O-N 3.09Å; L184-N188 PolarHBondContact O-N 3.14Å
185	V	86.6	Confident	86.7	Confident	58 Å²	58	89.4 Å²	89.4	35%	0.352	50%	0.497	S	S	.	.	H	α-helix	trans	-65	-45.3	176.8	171.2	0	0	0	0	111.2	V181 A182 T187 N188 Q189	V181-V185 HydrophobicContact CG1-CG2 4.37Å; V181-V185 WeakPolarHBondContact O-CG2 2.99Å; V181-V185 PolarHBondContact O-N 2.7Å; A182-V185 PolarHBondContact O-N 3.43Å; V185-T187 VanDerWaalsContact C-N 3.29Å; V185-T187 PolarHBondContact O-N 3.27Å; V185-N188 PolarHBondContact O-N 3.14Å; V185-Q189 WeakPolarHBondContact O-CG 3.29Å; V185-Q189 PolarHBondContact O-N 3.18Å
186	A	85.4	Confident	86.8	Confident	51 Å²	51	88.3 Å²	88.3	42%	0.421	49%	0.491	S	S	.	.	H	α-helix	trans	-60.1	-39.8	175.8	0	0	0	0	0	112.1	A182 Q189 L190	A182-A186 PolarHBondContact O-N 3.23Å; A186-Q189 PolarHBondContact O-N 3.39Å; A186-L190 PolarHBondContact O-N 3.03Å
187	T	88.6	Confident	86.8	Confident	77 Å²	77	85.9 Å²	85.9	47%	0.472	49%	0.485	S	S	.	.	H	α-helix	trans	-64.4	-41.9	175.6	-53.2	0	0	0	0	111.7	A183 L184 V185 Q189 L190 L191	A183-T187 PolarHBondContact O-N 3.23Å; A183-T187 VanDerWaalsContact O-N 3.09Å; A183-T187 PolarHBondContact O-OG1 3.4Å; L184-T187 PolarHBondContact O-N 3.09Å; V185-T187 VanDerWaalsContact C-N 3.29Å; V185-T187 PolarHBondContact O-N 3.27Å; T187-Q189 PolarHBondContact O-N 2.96Å; T187-L190 WeakPolarHBondContact O-CB 3.41Å; T187-L190 PolarHBondContact O-N 2.86Å; T187-L191 HydrophobicContact CG2-CD1 4.43Å; T187-L191 WeakPolarHBondContact O-CG 3.37Å; T187-L191 PolarHBondContact O-N 3.15Å; T187-L191 VanDerWaalsContact O-N 3.1Å
188	N	87	Confident	86.7	Confident	99 Å²	99	88.7 Å²	88.7	53%	0.529	49%	0.493	S	S	.	.	H	α-helix	trans	-64.3	-38.2	176.5	-109.8	-44.3	0	0	0	112.8	L184 V185 L190 L191 L192	L184-N188 PolarHBondContact O-N 3.14Å; V185-N188 PolarHBondContact O-N 3.14Å; N188-L190 VanDerWaalsContact C-N 3.33Å; N188-L190 PolarHBondContact O-N 3.47Å; N188-L191 PolarHBondContact O-N 3.35Å; N188-L192 WeakPolarHBondContact O-CB 3.44Å; N188-L192 WeakPolarHBondContact O-CG 3.35Å; N188-L192 PolarHBondContact O-N 2.97Å
189	Q	85.8	Confident	86.6	Confident	128 Å²	128	88.5 Å²	88.5	60%	0.598	50%	0.496	S	S	*	.	H	α-helix	trans	-64.5	-37.4	176.5	-72.4	177.5	-11.5	0	0	112.3	V185 A186 T187 L192 S193	V185-Q189 WeakPolarHBondContact O-CG 3.29Å; V185-Q189 PolarHBondContact O-N 3.18Å; A186-Q189 PolarHBondContact O-N 3.39Å; T187-Q189 PolarHBondContact O-N 2.96Å; Q189-L192 PolarHBondContact O-N 2.89Å; Q189-S193 PolarHBondContact O-N 2.97Å; Q189-S193 VanDerWaalsContact O-N 3.14Å
190	L	88.2	Confident	86.5	Confident	114 Å²	114	91.3 Å²	91.3	60%	0.597	50%	0.5	S	S	*	.	H	α-helix	trans	-63.6	-46	172.7	-104.3	157.4	0	0	0	112.1	A186 T187 N188 L192 S193 E194	A186-L190 PolarHBondContact O-N 3.03Å; T187-L190 WeakPolarHBondContact O-CB 3.41Å; T187-L190 PolarHBondContact O-N 2.86Å; N188-L190 VanDerWaalsContact C-N 3.33Å; N188-L190 PolarHBondContact O-N 3.47Å; L190-L192 VanDerWaalsContact C-N 3.31Å; L190-L192 PolarHBondContact O-N 3.36Å; L190-S193 PolarHBondContact O-N 2.71Å; L190-S193 PolarHBondContact O-OG 2.94Å; L190-E194 PolarHBondContact O-N 3.5Å; L190-E194 VanDerWaalsContact O-N 3.13Å
191	L	88.3	Confident	86.3	Confident	97 Å²	97	91.2 Å²	91.2	51%	0.508	50%	0.5	S	S	.	.	H	α-helix	trans	-65.4	-33.4	177.2	-68.4	170.2	0	0	0	112.8	T187 N188 K195	T187-L191 HydrophobicContact CG2-CD1 4.43Å; T187-L191 WeakPolarHBondContact O-CG 3.37Å; T187-L191 PolarHBondContact O-N 3.15Å; T187-L191 VanDerWaalsContact O-N 3.1Å; N188-L191 PolarHBondContact O-N 3.35Å; L191-K195 WeakPolarHBondContact O-CB 3.3Å; L191-K195 PolarHBondContact O-N 3.33Å
192	L	87.5	Confident	86	Confident	94 Å²	94	90.7 Å²	90.7	49%	0.492	50%	0.496	S	S	.	.	H	α-helix	trans	-69.9	-34.7	175.6	-75.8	169.6	0	0	0	112.8	N188 Q189 L190 N196	N188-L192 WeakPolarHBondContact O-CB 3.44Å; N188-L192 WeakPolarHBondContact O-CG 3.35Å; N188-L192 PolarHBondContact O-N 2.97Å; Q189-L192 PolarHBondContact O-N 2.89Å; L190-L192 VanDerWaalsContact C-N 3.31Å; L190-L192 PolarHBondContact O-N 3.36Å; L192-N196 VanDerWaalsContact O-CG 3.31Å; L192-N196 PolarHBondContact O-N 2.86Å; L192-N196 VanDerWaalsContact O-N 3.13Å; L192-N196 PolarHBondContact O-OD1 3.38Å
193	S	85.6	Confident	85.9	Confident	63 Å²	63	91.8 Å²	91.8	44%	0.441	49%	0.494	S	S	.	.	H	α-helix	trans	-71.7	-40.7	175.4	68.1	0	0	0	0	111.6	Q189 L190 K195 N196 V197	Q189-S193 PolarHBondContact O-N 2.97Å; Q189-S193 VanDerWaalsContact O-N 3.14Å; L190-S193 PolarHBondContact O-N 2.71Å; L190-S193 PolarHBondContact O-OG 2.94Å; S193-K195 PolarHBondContact O-N 2.86Å; S193-N196 PolarHBondContact O-N 3.39Å; S193-V197 WeakPolarHBondContact O-CG2 3.39Å; S193-V197 PolarHBondContact O-N 2.78Å; S193-V197 VanDerWaalsContact O-N 3.16Å
194	E	88.9	Confident	85.5	Confident	116 Å²	116	91.6 Å²	91.6	54%	0.542	49%	0.492	S	S	.	.	H	α-helix	trans	-59.5	-43.3	171.2	-71	-174.5	159.5	0	0	112.2	L190 N196 V197 L198	L190-E194 PolarHBondContact O-N 3.5Å; L190-E194 VanDerWaalsContact O-N 3.13Å; E194-N196 PolarHBondContact O-N 3.15Å; E194-V197 PolarHBondContact O-N 3.32Å; E194-L198 WeakPolarHBondContact O-CG 3.38Å; E194-L198 PolarHBondContact O-N 2.82Å; E194-L198 VanDerWaalsContact O-N 3.09Å
195	K	88.4	Confident	85	Confident	96 Å²	96	89 Å²	89	42%	0.417	48%	0.481	S	S	.	.	H	α-helix	trans	-56.2	-48.7	174.8	-177.3	-165.7	173.5	-93.7	0	111.8	L191 S193 V197 L198 E199	L191-K195 WeakPolarHBondContact O-CB 3.3Å; L191-K195 PolarHBondContact O-N 3.33Å; S193-K195 PolarHBondContact O-N 2.86Å; K195-V197 VanDerWaalsContact C-N 3.35Å; K195-V197 PolarHBondContact O-N 2.79Å; K195-L198 PolarHBondContact O-N 3.17Å; K195-E199 VanDerWaalsContact CE-OE1 3.29Å; K195-E199 WeakPolarHBondContact CE-OE1 3.35Å; K195-E199 IonicContact NZ-OE1 3.77Å; K195-E199 PolarHBondContact NZ-OE1 2.64Å; K195-E199 IonicContact NZ-OE2 3.24Å; K195-E199 PolarHBondContact NZ-OE2 2.79Å; K195-E199 PolarHBondContact O-N 2.82Å
196	N	84.4	Confident	84.6	Confident	87 Å²	87	91.2 Å²	91.2	47%	0.465	48%	0.483	S	S	.	.	H	α-helix	trans	-63.2	-41.1	-177.5	-71.4	-7.7	0	0	0	111.7	L192 S193 E194 L198 E199 E200	L192-N196 VanDerWaalsContact O-CG 3.31Å; L192-N196 PolarHBondContact O-N 2.86Å; L192-N196 VanDerWaalsContact O-N 3.13Å; L192-N196 PolarHBondContact O-OD1 3.38Å; S193-N196 PolarHBondContact O-N 3.39Å; E194-N196 PolarHBondContact O-N 3.15Å; N196-L198 VanDerWaalsContact C-N 3.32Å; N196-L198 PolarHBondContact O-N 2.82Å; N196-E199 PolarHBondContact O-N 3.06Å; N196-E200 PolarHBondContact O-N 3.35Å
197	V	87.4	Confident	84.2	Confident	76 Å²	76	92.1 Å²	92.1	46%	0.461	49%	0.486	S	S	.	.	H	α-helix	trans	-61.6	-39.9	175.5	173.1	0	0	0	0	111.4	S193 E194 K195 Q201	S193-V197 WeakPolarHBondContact O-CG2 3.39Å; S193-V197 PolarHBondContact O-N 2.78Å; S193-V197 VanDerWaalsContact O-N 3.16Å; E194-V197 PolarHBondContact O-N 3.32Å; K195-V197 VanDerWaalsContact C-N 3.35Å; K195-V197 PolarHBondContact O-N 2.79Å; V197-Q201 WeakPolarHBondContact O-CG 3.47Å; V197-Q201 PolarHBondContact O-N 3.4Å
198	L	85.2	Confident	83.6	Confident	105 Å²	105	93.2 Å²	93.2	55%	0.55	49%	0.488	S	S	.	.	H	α-helix	trans	-67.9	-38.5	175.6	-70	169.4	0	0	0	112.4	E194 K195 N196 Q201 V202	E194-L198 WeakPolarHBondContact O-CG 3.38Å; E194-L198 PolarHBondContact O-N 2.82Å; E194-L198 VanDerWaalsContact O-N 3.09Å; K195-L198 PolarHBondContact O-N 3.17Å; N196-L198 VanDerWaalsContact C-N 3.32Å; N196-L198 PolarHBondContact O-N 2.82Å; L198-Q201 PolarHBondContact O-N 2.69Å; L198-V202 WeakPolarHBondContact O-CG2 3.24Å; L198-V202 PolarHBondContact O-N 3.25Å
199	E	84	Confident	82.9	Confident	91 Å²	91	89.3 Å²	89.3	43%	0.425	47%	0.467	S	S	.	.	H	α-helix	trans	-66.3	-38.2	175.4	-75.9	-178.7	154.8	0	0	112.5	K195 N196 V202 N203	K195-E199 VanDerWaalsContact CE-OE1 3.29Å; K195-E199 WeakPolarHBondContact CE-OE1 3.35Å; K195-E199 IonicContact NZ-OE1 3.77Å; K195-E199 PolarHBondContact NZ-OE1 2.64Å; K195-E199 IonicContact NZ-OE2 3.24Å; K195-E199 PolarHBondContact NZ-OE2 2.79Å; K195-E199 PolarHBondContact O-N 2.82Å; N196-E199 PolarHBondContact O-N 3.06Å; E199-V202 PolarHBondContact O-N 3.11Å; E199-N203 WeakPolarHBondContact O-CB 3.28Å; E199-N203 PolarHBondContact O-N 3.03Å; E199-N203 PolarHBondContact O-ND2 3Å
200	E	82.3	Confident	82.2	Confident	144 Å²	144	87.8 Å²	87.8	67%	0.673	47%	0.466	S	S	*	.	H	α-helix	trans	-62.1	-45.3	171.3	-75	-172.9	161.7	0	0	111.9	N196 V202 N203 A204	N196-E200 PolarHBondContact O-N 3.35Å; E200-V202 PolarHBondContact O-N 2.71Å; E200-N203 PolarHBondContact O-N 3.33Å; E200-A204 WeakPolarHBondContact O-CB 3.35Å; E200-A204 PolarHBondContact O-N 2.88Å
201	Q	83	Confident	81.3	Confident	111 Å²	111	90.4 Å²	90.4	52%	0.519	48%	0.475	S	S	.	.	H	α-helix	trans	-60.9	-43.6	176.6	-73.3	175.9	6.8	0	0	112.3	V197 L198 N203 A204 V205	V197-Q201 WeakPolarHBondContact O-CG 3.47Å; V197-Q201 PolarHBondContact O-N 3.4Å; L198-Q201 PolarHBondContact O-N 2.69Å; Q201-N203 VanDerWaalsContact C-N 3.35Å; Q201-N203 PolarHBondContact O-N 3.3Å; Q201-A204 PolarHBondContact O-N 3.4Å; Q201-V205 WeakPolarHBondContact O-CG2 3.44Å; Q201-V205 PolarHBondContact O-N 3.3Å
202	V	81.5	Confident	80.2	Confident	65 Å²	65	91.3 Å²	91.3	39%	0.394	48%	0.477	S	S	.	.	H	α-helix	trans	-63.8	-39.7	176.7	169.6	0	0	0	0	111.6	L198 E199 E200 V205 R206	L198-V202 WeakPolarHBondContact O-CG2 3.24Å; L198-V202 PolarHBondContact O-N 3.25Å; E199-V202 PolarHBondContact O-N 3.11Å; E200-V202 PolarHBondContact O-N 2.71Å; V202-V205 PolarHBondContact O-N 3.41Å; V202-R206 PolarHBondContact O-N 3.35Å
203	N	79.4	Confident	78.8	Confident	82 Å²	82	89.2 Å²	89.2	44%	0.439	47%	0.47	S	S	.	.	H	α-helix	trans	-70.3	-36.9	176.9	-74.8	-30.2	0	0	0	112.6	E199 E200 Q201 V205 R206 C207	E199-N203 WeakPolarHBondContact O-CB 3.28Å; E199-N203 PolarHBondContact O-N 3.03Å; E199-N203 PolarHBondContact O-ND2 3Å; E200-N203 PolarHBondContact O-N 3.33Å; Q201-N203 VanDerWaalsContact C-N 3.35Å; Q201-N203 PolarHBondContact O-N 3.3Å; N203-V205 VanDerWaalsContact C-N 3.34Å; N203-V205 PolarHBondContact O-N 3.05Å; N203-R206 WeakPolarHBondContact O-CB 3.35Å; N203-R206 PolarHBondContact O-N 3.1Å; N203-R206 PolarHBondContact OD1-NH1 3.06Å; N203-C207 PolarHBondContact O-N 2.7Å; N203-C207 PolarHBondContact O-SG 3.13Å
204	A	79.5	Confident	77.7	Confident	53 Å²	53	93.7 Å²	93.7	44%	0.438	49%	0.489	S	S	.	.	H	α-helix	trans	-60.5	-42.9	172.5	0	0	0	0	0	111.9	E200 Q201 R206 C207 I208	E200-A204 WeakPolarHBondContact O-CB 3.35Å; E200-A204 PolarHBondContact O-N 2.88Å; Q201-A204 PolarHBondContact O-N 3.4Å; A204-R206 VanDerWaalsContact C-N 3.34Å; A204-R206 PolarHBondContact O-N 2.91Å; A204-C207 PolarHBondContact O-N 2.69Å; A204-I208 WeakPolarHBondContact O-CG1 3.46Å; A204-I208 PolarHBondContact O-N 3.17Å
205	V	79	Confident	76.8	Confident	61 Å²	61	91.9 Å²	91.9	37%	0.37	49%	0.489	S	S	.	.	H	α-helix	trans	-64	-37.6	174.5	175.9	0	0	0	0	111.6	Q201 V202 N203 L209 L227	Q201-V205 WeakPolarHBondContact O-CG2 3.44Å; Q201-V205 PolarHBondContact O-N 3.3Å; V202-V205 PolarHBondContact O-N 3.41Å; N203-V205 VanDerWaalsContact C-N 3.34Å; N203-V205 PolarHBondContact O-N 3.05Å; V205-L209 HydrophobicContact CG1-CD1 3.93Å; V205-L209 WeakPolarHBondContact O-CD1 3.24Å; V205-L209 WeakPolarHBondContact O-CG 3.3Å; V205-L209 PolarHBondContact O-N 3.23Å; V205-L209 VanDerWaalsContact O-N 3.09Å; V205-L227 HydrophobicContact CG1-CD1 3.77Å
206	R	78.1	Confident	75.7	Confident	106 Å²	106	89.4 Å²	89.4	40%	0.4	48%	0.48	S	S	.	.	H	α-helix	trans	-61.5	-44.6	172.8	-81.2	-177.3	174.6	138.3	-0.8	112.8	V202 N203 A204 I208 L209 T210 L227	V202-R206 PolarHBondContact O-N 3.35Å; N203-R206 WeakPolarHBondContact O-CB 3.35Å; N203-R206 PolarHBondContact O-N 3.1Å; N203-R206 PolarHBondContact OD1-NH1 3.06Å; A204-R206 VanDerWaalsContact C-N 3.34Å; A204-R206 PolarHBondContact O-N 2.91Å; R206-I208 PolarHBondContact O-N 3.06Å; R206-L209 PolarHBondContact O-N 2.92Å; R206-T210 PolarHBondContact O-N 2.66Å; R206-T210 PolarHBondContact O-OG1 2.73Å; R206-T210 VanDerWaalsContact O-OG1 3.12Å; R206-L227 PolarHBondContact NE-O 3.06Å
207	C	76.9	Confident	75.1	Confident	70 Å²	70	89.3 Å²	89.3	47%	0.473	49%	0.485	S	S	.	.	H	α-helix	trans	-58.6	-47.8	178.5	-72.1	0	0	0	0	111.6	N203 A204 L209 T210 E211	N203-C207 PolarHBondContact O-N 2.7Å; N203-C207 PolarHBondContact O-SG 3.13Å; A204-C207 PolarHBondContact O-N 2.69Å; C207-L209 VanDerWaalsContact C-N 3.29Å; C207-L209 PolarHBondContact O-N 3.07Å; C207-T210 WeakPolarHBondContact CA-OG1 3.29Å; C207-T210 PolarHBondContact O-N 3.22Å; C207-T210 VanDerWaalsContact O-N 3.11Å; C207-T210 PolarHBondContact O-OG1 2.9Å; C207-E211 PolarHBondContact O-N 3.11Å
208	I	75.3	Confident	74.3	Confident	99 Å²	99	90.4 Å²	90.4	51%	0.508	49%	0.485	S	S	.	.	H	α-helix	trans	-57.6	-43.2	176.2	-64.3	165.1	0	0	0	110.7	A204 R206 T210 E211 E212	A204-I208 WeakPolarHBondContact O-CG1 3.46Å; A204-I208 PolarHBondContact O-N 3.17Å; R206-I208 PolarHBondContact O-N 3.06Å; I208-T210 VanDerWaalsContact C-N 3.32Å; I208-T210 PolarHBondContact O-N 3.1Å; I208-E211 PolarHBondContact O-N 3.42Å; I208-E212 PolarHBondContact O-N 3.16Å
209	L	71.4	Confident	74	Confident	18 Å²	18	94 Å²	94	9%	0.094	50%	0.496	C	S	.	.	H	α-helix	trans	-66.8	-28.4	178.4	-76.6	165.1	0	0	0	114.3	V205 R206 C207 L216 L224 L227 T228	V205-L209 HydrophobicContact CG1-CD1 3.93Å; V205-L209 WeakPolarHBondContact O-CD1 3.24Å; V205-L209 WeakPolarHBondContact O-CG 3.3Å; V205-L209 PolarHBondContact O-N 3.23Å; V205-L209 VanDerWaalsContact O-N 3.09Å; R206-L209 PolarHBondContact O-N 2.92Å; C207-L209 VanDerWaalsContact C-N 3.29Å; C207-L209 PolarHBondContact O-N 3.07Å; L209-L216 HydrophobicContact CD2-CD1 3.63Å; L209-L224 HydrophobicContact CD1-CB 3.87Å; L209-L224 HydrophobicContact CD2-CB 3.66Å; L209-L224 HydrophobicContact CD2-CD1 3.73Å; L209-L224 HydrophobicContact CD2-CG 4.28Å; L209-L224 HydrophobicContact CG-CB 4.43Å; L209-L227 HydrophobicContact CD1-CB 3.93Å; L209-L227 HydrophobicContact CD1-CD1 3.75Å; L209-L227 HydrophobicContact CD1-CG 4.49Å; L209-T228 HydrophobicContact CB-CG2 4.19Å
210	T	72.1	Confident	73.5	Confident	96 Å²	96	92 Å²	92	59%	0.589	49%	0.492	S	S	*	.	H	α-helix	trans	-83.7	-31	176	43.8	0	0	0	0	113.8	R206 C207 I208	R206-T210 PolarHBondContact O-N 2.66Å; R206-T210 PolarHBondContact O-OG1 2.73Å; R206-T210 VanDerWaalsContact O-OG1 3.12Å; C207-T210 WeakPolarHBondContact CA-OG1 3.29Å; C207-T210 PolarHBondContact O-N 3.22Å; C207-T210 VanDerWaalsContact O-N 3.11Å; C207-T210 PolarHBondContact O-OG1 2.9Å; I208-T210 VanDerWaalsContact C-N 3.32Å; I208-T210 PolarHBondContact O-N 3.1Å
211	E	69.1	Low	72.9	Confident	168 Å²	168	89.3 Å²	89.3	79%	0.785	48%	0.476	S	S	*	.	H	α-helix	trans	-89.3	-34.9	-177.2	-67.8	-176.6	174.9	0	0	112.8	C207 I208	C207-E211 PolarHBondContact O-N 3.11Å; I208-E211 PolarHBondContact O-N 3.42Å
212	E	65.3	Low	72.3	Confident	116 Å²	116	90.3 Å²	90.3	54%	0.542	48%	0.478	S	S	.	.	S	Bend	trans	-107.1	26.3	-179.1	-63.4	-160.3	170.1	0	0	114.1	I208 D214 S215	I208-E212 PolarHBondContact O-N 3.16Å; E212-D214 PolarHBondContact O-N 3.4Å; E212-S215 PolarHBondContact O-N 2.93Å; E212-S215 PolarHBondContact O-OG 3.41Å; E212-S215 PolarHBondContact OE2-OG 3.27Å
213	S	58.7	Low	72	Confident	50 Å²	50	96.7 Å²	96.7	35%	0.35	50%	0.495	S	S	.	.	T	Hydrogen-bonded Turn	trans	-37.5	-45.4	176.4	160.7	0	0	0	0	113.9
214	D	62.8	Low	71.5	Confident	157 Å²	157	95.3 Å²	95.3	84%	0.84	49%	0.488	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.6	-6.5	-167.5	-59.4	-2.7	0	0	0	113.1	E212	E212-D214 PolarHBondContact O-N 3.4Å
215	S	68	Low	70.9	Confident	78 Å²	78	96.4 Å²	96.4	55%	0.545	48%	0.484	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.4	-23.1	175.3	85.7	0	0	0	0	112.6	E212	E212-S215 PolarHBondContact O-N 2.93Å; E212-S215 PolarHBondContact O-OG 3.41Å; E212-S215 PolarHBondContact OE2-OG 3.27Å
216	L	66.3	Low	70.8	Confident	44 Å²	44	99.8 Å²	99.8	23%	0.23	49%	0.494	C	S	.	.	S	Bend	trans	-77.5	127.9	-172.5	-79.8	161.5	0	0	0	112	L209 E218	L209-L216 HydrophobicContact CD2-CD1 3.63Å; L216-E218 PolarHBondContact O-N 3.47Å
217	P	72.6	Confident	70.3	Confident	85 Å²	85	95.9 Å²	95.9	55%	0.552	48%	0.481	S	S	*	.			trans	-55.1	137.4	171.5	-24.9	33.8	0	0	0	111	K219 S220 R221	P217-K219 PolarHBondContact O-N 3.35Å; P217-S220 WeakPolarHBondContact O-CA 3.42Å; P217-S220 WeakPolarHBondContact O-CB 3.37Å; P217-S220 PolarHBondContact O-N 3.29Å; P217-R221 PolarHBondContact O-N 3.33Å
218	E	70.7	Confident	69.6	Low	99 Å²	99	96 Å²	96	46%	0.463	48%	0.48	S	S	.	.	H	α-helix	trans	-50.8	-32.3	-175	-171.2	62.1	-162.1	0	0	113.6	L216 R221 K222	L216-E218 PolarHBondContact O-N 3.47Å; E218-R221 PolarHBondContact O-N 2.74Å; E218-R221 IonicContact OE1-CZ 3.78Å; E218-R221 IonicContact OE1-NE 3.38Å; E218-R221 IonicContact OE1-NH2 2.61Å; E218-R221 PolarHBondContact OE1-NH2 3.11Å; E218-R221 IonicContact OE2-CZ 2.71Å; E218-R221 IonicContact OE2-NE 3.92Å; E218-R221 PolarHBondContact OE2-NE 3.29Å; E218-R221 IonicContact OE2-NH2 3.68Å; E218-R221 PolarHBondContact OE2-NH2 3.26Å; E218-K222 PolarHBondContact O-N 2.87Å
219	K	77.2	Confident	68.6	Low	180 Å²	180	97.3 Å²	97.3	78%	0.783	48%	0.483	S	S	*	.	H	α-helix	trans	-70	-29.3	177.1	-152.4	179.4	-170.6	-179.5	0	113.5	P217 R223	P217-K219 PolarHBondContact O-N 3.35Å; K219-R223 WeakPolarHBondContact O-CG 3.21Å
220	S	74.7	Confident	67.7	Low	49 Å²	49	105.9 Å²	105.9	34%	0.343	52%	0.52	S	S	.	.	H	α-helix	trans	-81.2	-43.1	171.5	-59.3	0	0	0	0	110.6	P217 K222 R223 L224	P217-S220 WeakPolarHBondContact O-CA 3.42Å; P217-S220 WeakPolarHBondContact O-CB 3.37Å; P217-S220 PolarHBondContact O-N 3.29Å; S220-K222 PolarHBondContact O-N 3.18Å; S220-R223 PolarHBondContact O-N 2.87Å; S220-L224 WeakPolarHBondContact O-CG 3.32Å; S220-L224 PolarHBondContact O-N 3.35Å; S220-L224 VanDerWaalsContact O-N 3.15Å
221	R	68.6	Low	66.2	Low	88 Å²	88	106.5 Å²	106.5	33%	0.332	53%	0.528	S	S	.	.	H	α-helix	trans	-53	-50.8	177	-153.7	174.6	70.7	79.4	10.4	111.1	P217 E218 R223 L224 E225	P217-R221 PolarHBondContact O-N 3.33Å; E218-R221 PolarHBondContact O-N 2.74Å; E218-R221 IonicContact OE1-CZ 3.78Å; E218-R221 IonicContact OE1-NE 3.38Å; E218-R221 IonicContact OE1-NH2 2.61Å; E218-R221 PolarHBondContact OE1-NH2 3.11Å; E218-R221 IonicContact OE2-CZ 2.71Å; E218-R221 IonicContact OE2-NE 3.92Å; E218-R221 PolarHBondContact OE2-NE 3.29Å; E218-R221 IonicContact OE2-NH2 3.68Å; E218-R221 PolarHBondContact OE2-NH2 3.26Å; R221-R223 VanDerWaalsContact C-N 3.32Å; R221-R223 PolarHBondContact O-N 3.08Å; R221-L224 CarbonylContact O-C 3.57Å; R221-L224 PolarHBondContact O-N 3.05Å; R221-L224 VanDerWaalsContact O-N 3.1Å; R221-E225 PolarHBondContact O-N 2.92Å
222	K	71.5	Confident	64.6	Low	133 Å²	133	103.3 Å²	103.3	58%	0.578	52%	0.524	S	S	*	.	H	α-helix	trans	-63.4	-27	174.2	-75.5	-168.9	171.2	-173.5	0	115.7	E218 S220 L224	E218-K222 PolarHBondContact O-N 2.87Å; S220-K222 PolarHBondContact O-N 3.18Å; K222-L224 VanDerWaalsContact C-N 3.29Å
223	R	74.5	Confident	63.1	Low	199 Å²	199	103.1 Å²	103.1	75%	0.751	54%	0.536	S	S	*	.	H	α-helix	trans	-79.2	-14.8	175.9	-73.7	-177.4	80.9	179.4	6.8	112.8	K219 S220 R221 F226	K219-R223 WeakPolarHBondContact O-CG 3.21Å; S220-R223 PolarHBondContact O-N 2.87Å; R221-R223 VanDerWaalsContact C-N 3.32Å; R221-R223 PolarHBondContact O-N 3.08Å; R223-F226 WeakPolarHBondContact O-CD1 3.44Å; R223-F226 VanDerWaalsContact O-CE1 3.28Å; R223-F226 WeakPolarHBondContact O-CE1 3.26Å
224	L	69.4	Low	62	Low	53 Å²	53	108.1 Å²	108.1	28%	0.277	56%	0.558	S	S	.	*	H	α-helix	trans	-114.4	-2.9	-177.3	-62.4	169.4	0	0	0	112.5	L209 S220 R221 K222 F226 L227	L209-L224 HydrophobicContact CD1-CB 3.87Å; L209-L224 HydrophobicContact CD2-CB 3.66Å; L209-L224 HydrophobicContact CD2-CD1 3.73Å; L209-L224 HydrophobicContact CD2-CG 4.28Å; L209-L224 HydrophobicContact CG-CB 4.43Å; S220-L224 WeakPolarHBondContact O-CG 3.32Å; S220-L224 PolarHBondContact O-N 3.35Å; S220-L224 VanDerWaalsContact O-N 3.15Å; R221-L224 CarbonylContact O-C 3.57Å; R221-L224 PolarHBondContact O-N 3.05Å; R221-L224 VanDerWaalsContact O-N 3.1Å; K222-L224 VanDerWaalsContact C-N 3.29Å; L224-F226 PolarHBondContact O-N 3.4Å; L224-L227 HydrophobicContact CD2-CD1 3.9Å; L224-L227 WeakPolarHBondContact O-CB 3.24Å; L224-L227 PolarHBondContact O-N 3.11Å
225	E	67.7	Low	60.4	Low	75 Å²	75	105.6 Å²	105.6	35%	0.35	55%	0.549	S	S	.	.	H	α-helix	trans	-56.3	-31.8	179.5	-156.8	156.9	-142.8	0	0	112.5	R221 L227 T228 E229	R221-E225 PolarHBondContact O-N 2.92Å; E225-L227 PolarHBondContact O-N 3.02Å; E225-T228 PolarHBondContact O-N 2.74Å; E225-T228 PolarHBondContact O-OG1 3.34Å; E225-T228 VanDerWaalsContact O-OG1 3.07Å; E225-E229 PolarHBondContact O-N 2.97Å
226	F	76.1	Confident	58.7	Low	132 Å²	132	109.2 Å²	109.2	58%	0.579	56%	0.557	S	S	*	*	H	α-helix	trans	-65	-16.2	174.2	82.2	-86.8	0	0	0	114.6	R223 L224	R223-F226 WeakPolarHBondContact O-CD1 3.44Å; R223-F226 VanDerWaalsContact O-CE1 3.28Å; R223-F226 WeakPolarHBondContact O-CE1 3.26Å; L224-F226 PolarHBondContact O-N 3.4Å
227	L	66.6	Low	57	Low	25 Å²	25	118.3 Å²	118.3	13%	0.131	59%	0.589	C	S	.	*	H	α-helix	trans	-87.3	-24.4	176.8	-65.1	169.9	0	0	0	112.3	V205 R206 L209 L224 E225	V205-L227 HydrophobicContact CG1-CD1 3.77Å; R206-L227 PolarHBondContact NE-O 3.06Å; L209-L227 HydrophobicContact CD1-CB 3.93Å; L209-L227 HydrophobicContact CD1-CD1 3.75Å; L209-L227 HydrophobicContact CD1-CG 4.49Å; L224-L227 HydrophobicContact CD2-CD1 3.9Å; L224-L227 WeakPolarHBondContact O-CB 3.24Å; L224-L227 PolarHBondContact O-N 3.11Å; E225-L227 PolarHBondContact O-N 3.02Å
228	T	62.5	Low	55.1	Low	73 Å²	73	119.1 Å²	119.1	45%	0.448	60%	0.602	S	S	.	*	H	α-helix	trans	-97.3	-23.3	178.3	42.1	0	0	0	0	113.4	L209 E225 K230	L209-T228 HydrophobicContact CB-CG2 4.19Å; E225-T228 PolarHBondContact O-N 2.74Å; E225-T228 PolarHBondContact O-OG1 3.34Å; E225-T228 VanDerWaalsContact O-OG1 3.07Å; T228-K230 PolarHBondContact O-N 3.24Å
229	E	55.7	Low	53.5	Low	126 Å²	126	119.7 Å²	119.7	59%	0.589	62%	0.617	S	S	*	*	S	Bend	trans	-59.5	117.9	170.5	-78.6	-171	154.2	0	0	111.2	E225 S231	E225-E229 PolarHBondContact O-N 2.97Å; E229-S231 VanDerWaalsContact C-N 3.25Å; E229-S231 PolarHBondContact O-N 2.94Å; E229-S231 PolarHBondContact O-OG 3.01Å
230	K	50.7	Low	51.4	Low	198 Å²	198	114.8 Å²	114.8	86%	0.861	62%	0.618	S	S	*	*			trans	-72.9	82.9	168.7	-78	-175.5	175.9	177.9	0	109.5	T228 S232	T228-K230 PolarHBondContact O-N 3.24Å; K230-S232 PolarHBondContact O-N 2.92Å; K230-S232 PolarHBondContact O-OG 3.37Å
231	S	41.4	Very low	49.5	Very low	109 Å²	109	119 Å²	119	76%	0.762	64%	0.641	S	S	*	*			trans	-53.3	99.7	174.8	-46	0	0	0	0	110.7	E229	E229-S231 VanDerWaalsContact C-N 3.25Å; E229-S231 PolarHBondContact O-N 2.94Å; E229-S231 PolarHBondContact O-OG 3.01Å
232	S	36.5	Very low	48	Very low	101 Å²	101	119.3 Å²	119.3	71%	0.706	66%	0.657	S	S	*	*			trans	-88.4	139.4	171.3	-58.6	0	0	0	0	108.1	K230	K230-S232 PolarHBondContact O-N 2.92Å; K230-S232 PolarHBondContact O-OG 3.37Å
233	S	32.8	Very low	46.1	Very low	111 Å²	111	122.7 Å²	122.7	78%	0.776	67%	0.674	S	S	*	*			trans	65.4	112.7	-178.7	67	0	0	0	0	117.3
234	N	34.9	Very low	44.3	Very low	155 Å²	155	116.5 Å²	116.5	83%	0.829	67%	0.666	S	S	*	*			trans	137.2	126.2	158.3	-79.2	-12.3	0	0	0	108.3
235	T	29.7	Very low	42.7	Very low	105 Å²	105	117.6 Å²	117.6	64%	0.644	69%	0.69	S	S	*	*			cis	-170.9	163.8	-11.6	-20.5	0	0	0	0	103.6
236	E	33.2	Very low	41.2	Very low	154 Å²	154	119.9 Å²	119.9	72%	0.72	70%	0.703	S	S	*	*			trans	69.8	122.3	153.3	-67.5	168.7	-144.3	0	0	121.3
237	R	30.4	Very low	39.4	Very low	235 Å²	235	119.3 Å²	119.3	89%	0.887	71%	0.707	S	S	*	*			trans	55.8	80.2	140.5	-66.2	176.1	167.7	165.4	-4.9	118.2
238	A	33.2	Very low	38.1	Very low	102 Å²	102	124.4 Å²	124.4	84%	0.843	73%	0.728	S	S	*	*			trans	-115.9	91.2	142.7	0	0	0	0	0	109
239	S	36.8	Very low	37.2	Very low	110 Å²	110	127.4 Å²	127.4	77%	0.769	74%	0.741	S	S	*	*			trans	-67.5	128.1	163.8	46.9	0	0	0	0	108.4	V241	S239-V241 PolarHBondContact O-N 2.87Å; S239-V241 VanDerWaalsContact O-N 3.13Å
240	G	32.4	Very low	36.4	Very low	77 Å²	77	129.2 Å²	129.2	79%	0.794	75%	0.749	S	S	*	*			trans	-55	119.2	-176.2	0	0	0	0	0	111.9	S242	G240-S242 PolarHBondContact O-N 3.25Å; G240-S242 VanDerWaalsContact O-N 3.08Å
241	V	35.6	Very low	35.9	Very low	139 Å²	139	122.9 Å²	122.9	84%	0.842	73%	0.727	S	S	*	*			trans	-66	104.8	164	175.6	0	0	0	0	106.4	S239 E243	S239-V241 PolarHBondContact O-N 2.87Å; S239-V241 VanDerWaalsContact O-N 3.13Å; V241-E243 PolarHBondContact O-N 3.31Å
242	S	36.4	Very low	35.7	Very low	93 Å²	93	121.7 Å²	121.7	65%	0.65	71%	0.712	S	S	*	*			trans	-66.7	126.8	162.3	52	0	0	0	0	108.1	G240 A244	G240-S242 PolarHBondContact O-N 3.25Å; G240-S242 VanDerWaalsContact O-N 3.08Å; S242-A244 PolarHBondContact O-N 3.28Å
243	E	32	Very low	35.7	Very low	204 Å²	204	123.1 Å²	123.1	95%	0.953	71%	0.712	S	S	*	*			trans	-64.9	79.6	163.2	-72.4	176.8	117.8	0	0	109.3	V241	V241-E243 PolarHBondContact O-N 3.31Å
244	A	37.4	Very low	36	Very low	70 Å²	70	123 Å²	123	58%	0.579	71%	0.711	S	S	*	*			trans	-116.8	97	164.8	0	0	0	0	0	105.5	S242 I246	S242-A244 PolarHBondContact O-N 3.28Å; A244-I246 PolarHBondContact O-N 3.15Å
245	G	33.9	Very low	36.1	Very low	76 Å²	76	118.8 Å²	118.8	78%	0.784	69%	0.694	S	S	*	*			trans	-54.9	126.2	169.7	0	0	0	0	0	108.4	D247	G245-D247 VanDerWaalsContact C-N 3.35Å; G245-D247 PolarHBondContact O-N 2.76Å
246	I	37.2	Very low	36.5	Very low	122 Å²	122	117.9 Å²	117.9	63%	0.626	69%	0.685	S	S	*	*			trans	-73.6	95.7	-179.7	-53.8	172.4	0	0	0	107	A244 F248	A244-I246 PolarHBondContact O-N 3.15Å; I246-F248 HydrophobicContact CB-CD2 4.3Å; I246-F248 HydrophobicContact CB-CE2 3.87Å; I246-F248 HydrophobicContact CG2-CD2 3.77Å; I246-F248 HydrophobicContact CG2-CE1 4.29Å; I246-F248 HydrophobicContact CG2-CE2 3.35Å; I246-F248 HydrophobicContact CG2-CG 4.41Å; I246-F248 HydrophobicContact CG2-CZ 3.65Å; I246-F248 VanDerWaalsContact O-CD2 3.31Å; I246-F248 WeakPolarHBondContact O-CD2 3.42Å
247	D	39.4	Very low	36.8	Very low	121 Å²	121	116 Å²	116	65%	0.647	68%	0.68	S	S	*	*			trans	-70.5	125.8	167.9	-168.8	-8.8	0	0	0	108.7	G245 D249	G245-D247 VanDerWaalsContact C-N 3.35Å; G245-D247 PolarHBondContact O-N 2.76Å; D247-D249 PolarHBondContact OD1-N 3.06Å; D247-D249 VanDerWaalsContact OD1-N 3.08Å
248	F	38	Very low	36.8	Very low	132 Å²	132	114.7 Å²	114.7	58%	0.579	68%	0.675	S	S	*	*			trans	-104.3	2	-175.6	-86	-81.3	0	0	0	112.9	I246 H250	I246-F248 HydrophobicContact CB-CD2 4.3Å; I246-F248 HydrophobicContact CB-CE2 3.87Å; I246-F248 HydrophobicContact CG2-CD2 3.77Å; I246-F248 HydrophobicContact CG2-CE1 4.29Å; I246-F248 HydrophobicContact CG2-CE2 3.35Å; I246-F248 HydrophobicContact CG2-CG 4.41Å; I246-F248 HydrophobicContact CG2-CZ 3.65Å; I246-F248 VanDerWaalsContact O-CD2 3.31Å; I246-F248 WeakPolarHBondContact O-CD2 3.42Å; F248-H250 VanDerWaalsContact C-N 3.32Å; F248-H250 PolarHBondContact O-N 3.07Å
249	D	43.2	Very low	36.9	Very low	135 Å²	135	116.1 Å²	116.1	72%	0.722	68%	0.676	S	S	*	*			trans	-90.9	37.4	-171.2	-156.2	15.2	0	0	0	114.8	D247	D247-D249 PolarHBondContact OD1-N 3.06Å; D247-D249 VanDerWaalsContact OD1-N 3.08Å
250	H	38.8	Very low	36.8	Very low	165 Å²	165	116.9 Å²	116.9	76%	0.764	68%	0.676	S	S	*	*			trans	-129	69.2	178.7	-74.7	-3.8	0	0	0	112.4	F248	F248-H250 VanDerWaalsContact C-N 3.32Å; F248-H250 PolarHBondContact O-N 3.07Å
251	T	40.9	Very low	36.7	Very low	64 Å²	64	117.1 Å²	117.1	39%	0.393	68%	0.678	S	S	.	*			trans	-165	145.8	163.9	19.8	0	0	0	0	111.8	R178	R178-T251 VanDerWaalsContact CZ-OG1 3.27Å; R178-T251 PolarHBondContact NH1-OG1 3.2Å; R178-T251 PolarHBondContact NH2-OG1 2.83Å
252	D	37.7	Very low	36.6	Very low	85 Å²	85	114.8 Å²	114.8	46%	0.455	67%	0.674	S	S	.	*			trans	64.1	133.2	171.6	-70.6	-35.2	0	0	0	115.9	Y167 K171	Y167-D252 PolarHBondContact OH-OD1 3.02Å; K171-D252 WeakPolarHBondContact CE-OD1 3.26Å; K171-D252 WeakPolarHBondContact CE-OD2 3.17Å; K171-D252 IonicContact NZ-OD1 3.71Å; K171-D252 PolarHBondContact NZ-OD1 3.15Å; K171-D252 IonicContact NZ-OD2 2.78Å; K171-D252 PolarHBondContact NZ-OD2 3.11Å; K171-D252 VanDerWaalsContact NZ-OD2 3.09Å
253	D	37.2	Very low	36.4	Very low	130 Å²	130	117 Å²	117	70%	0.695	68%	0.683	S	S	*	*			cis	-130.8	166.6	-1.7	-60	-68.9	0	0	0	108	K171	K171-D253 IonicContact NZ-OD1 3.65Å; K171-D253 PolarHBondContact NZ-OD1 3.17Å
254	S	38.8	Very low	36.3	Very low	108 Å²	108	112.9 Å²	112.9	76%	0.755	67%	0.674	S	S	*	*			cis	-150.4	151.2	13.4	179.6	0	0	0	0	109.8
255	S	36.2	Very low	36.1	Very low	68 Å²	68	114.3 Å²	114.3	48%	0.476	69%	0.686	S	S	.	*			trans	-76.9	-177.6	173.2	59.3	0	0	0	0	114.1
256	D	38.5	Very low	36.1	Very low	85 Å²	85	118.3 Å²	118.3	46%	0.455	69%	0.689	S	S	.	*			trans	107	117.4	165.5	-55.6	9	0	0	0	113.2	R164	R164-D256 IonicContact CZ-OD2 3.72Å; R164-D256 IonicContact NE-OD2 2.82Å; R164-D256 PolarHBondContact NE-OD2 2.89Å; R164-D256 IonicContact NH2-OD2 3.79Å; R164-D256 PolarHBondContact NH2-OD2 3.22Å
257	D	38.1	Very low	35.8	Very low	115 Å²	115	120.2 Å²	120.2	62%	0.615	70%	0.7	S	S	*	*			cis	-152	132.8	-9.5	-105.6	-41.7	0	0	0	108.9
258	R	31.5	Very low	35.4	Very low	207 Å²	207	122.6 Å²	122.6	78%	0.781	71%	0.712	S	S	*	*			trans	-139.3	112.9	161	-82.7	-164.5	-176.4	-169.3	4.1	109.5	T260	R258-T260 VanDerWaalsContact C-N 3.35Å; R258-T260 PolarHBondContact O-N 2.84Å
259	P	34.6	Very low	35.1	Very low	133 Å²	133	120 Å²	120	86%	0.864	72%	0.723	S	S	*	*			trans	-77.2	84.2	174.8	30.8	-33.4	0	0	0	110.4	G261	P259-G261 PolarHBondContact O-N 2.75Å
260	T	35.3	Very low	34.5	Very low	126 Å²	126	118.5 Å²	118.5	77%	0.773	72%	0.723	S	S	*	*			trans	-83.5	87.4	165.1	49.7	0	0	0	0	109.8	R258 A262	R258-T260 VanDerWaalsContact C-N 3.35Å; R258-T260 PolarHBondContact O-N 2.84Å; T260-A262 PolarHBondContact O-N 3.28Å
261	G	30.5	Very low	34.2	Very low	81 Å²	81	117.1 Å²	117.1	84%	0.835	72%	0.721	S	S	*	*			trans	-66.4	95.8	171	0	0	0	0	0	111.6	P259	P259-G261 PolarHBondContact O-N 2.75Å
262	A	33.1	Very low	33.9	Very low	91 Å²	91	120 Å²	120	75%	0.752	74%	0.739	S	S	*	*			trans	-105.7	101.7	162.8	0	0	0	0	0	108.2	T260	T260-A262 PolarHBondContact O-N 3.28Å
263	V	31.9	Very low	33.4	Very low	139 Å²	139	122.1 Å²	122.1	84%	0.842	76%	0.755	S	S	*	*			trans	-67.6	132.4	178.1	178	0	0	0	0	109.4
264	P	30.1	Very low	33.2	Very low	117 Å²	117	121.2 Å²	121.2	76%	0.76	76%	0.756	S	S	*	*			trans	-71.6	140.1	-176.9	-14.7	29.3	0	0	0	112.3
265	A	34.4	Very low	32.8	Very low	100 Å²	100	125.2 Å²	125.2	83%	0.826	76%	0.76	S	S	*	*			trans	-83.1	116	171.5	0	0	0	0	0	111.3
266	N	32.2	Very low	32.5	Very low	160 Å²	160	128 Å²	128	86%	0.856	77%	0.774	S	S	*	*			trans	15.1	120.1	157.3	-75.2	-21.6	0	0	0	119.5
267	L	31.7	Very low	32.2	Very low	162 Å²	162	128.5 Å²	128.5	85%	0.848	78%	0.784	S	S	*	*			trans	-121.8	134.3	146.2	-81.3	170.5	0	0	0	110
268	N	31.9	Very low	31.9	Very low	171 Å²	171	133.6 Å²	133.6	91%	0.914	80%	0.795	S	S	*	*			trans	111.4	125.8	168.4	-60.7	-22.9	0	0	0	115.8
269	G	31	Very low	32.1	Very low	78 Å²	78	131.7 Å²	131.7	80%	0.804	79%	0.792	S	S	*	*			trans	144.1	83.3	-178.7	0	0	0	0	0	111.2
270	S	30.3	Very low	32	Very low	103 Å²	103	135.5 Å²	135.5	72%	0.72	79%	0.789	S	S	*	*			trans	-58.1	135.5	171.1	46.8	0	0	0	0	111.9
271	D	33	Very low	31.9	Very low	137 Å²	137	133.8 Å²	133.8	73%	0.733	78%	0.782	S	S	*	*				-177.8	143.5	103.7	-96.1	-34.4	0	0	0	114.8
272	T	33.7	Very low	31.9	Very low	125 Å²	125	137.3 Å²	137.3	77%	0.767	78%	0.782	S	S	*	*			trans	37.9	122.5	153.9	60.1	0	0	0	0	121.8
273	T	26.7	Very low	32.1	Very low	129 Å²	129	137.7 Å²	137.7	79%	0.791	78%	0.779	S	S	*	*			trans	-60.6	170.4	154.3	63.8	0	0	0	0	111.5
274	P	34.2	Very low	32.1	Very low	110 Å²	110	140.3 Å²	140.3	71%	0.714	79%	0.785	S	S	*	*			cis	-145.4	174.5	16.6	42.5	-22.1	0	0	0	118.7
275	K	29.8	Very low	32.2	Very low	193 Å²	193	138.5 Å²	138.5	84%	0.839	79%	0.787	S	S	*	*			trans	45.1	116.5	148.3	-75.1	-178.5	178.8	175.7	0	121.6
276	V	29.4	Very low	32.2	Very low	126 Å²	126	137.8 Å²	137.8	76%	0.764	78%	0.781	S	S	*	*				84.8	123.1	129.2	175.5	0	0	0	0	120.1
277	S	33.4	Very low	32.1	Very low	96 Å²	96	139 Å²	139	67%	0.671	78%	0.782	S	S	*	*			trans	103.7	116	144.5	72.8	0	0	0	0	122.4
278	R	32.1	Very low	32.1	Very low	222 Å²	222	137 Å²	137	84%	0.838	77%	0.772	S	S	*	*				73	119.8	128.2	-73.4	176.5	174.1	164.7	-0.4	121.7
279	K	34.9	Very low	32	Very low	167 Å²	167	138.4 Å²	138.4	73%	0.726	76%	0.764	S	S	*	*				90	112	125.9	-81.2	-176.4	173.5	-178.5	0	120.6
280	R	31.5	Very low	31.8	Very low	213 Å²	213	139.3 Å²	139.3	80%	0.804	76%	0.759	S	S	*	*				74.7	111.1	119.9	-79.7	-170.9	172.9	-175.4	-3.9	121
281	S	34.2	Very low	31.7	Very low	89 Å²	89	142.3 Å²	142.3	62%	0.622	76%	0.761	S	S	*	*				89	130.9	109.9	71.9	0	0	0	0	121.5
282	N	31	Very low	31.4	Very low	155 Å²	155	144.5 Å²	144.5	83%	0.829	77%	0.765	S	S	*	*			trans	72	151.8	150.2	-59.7	3.8	0	0	0	115.2
283	S	36.8	Very low	31.1	Very low	100 Å²	100	147.8 Å²	147.8	70%	0.699	77%	0.769	S	S	*	*			cis	-164.1	150.1	11	28.1	0	0	0	0	112.2
284	M	32.3	Very low	31.1	Very low	194 Å²	194	146.5 Å²	146.5	96%	0.956	77%	0.765	S	S	*	*			trans	53.4	145	138.5	-60.2	-171.9	79.5	0	0	123.3
285	G	32.2	Very low	30.8	Very low	78 Å²	78	148.9 Å²	148.9	80%	0.804	76%	0.764	S	S	*	*			trans	102.9	140.5	160.1	0	0	0	0	0	113.6
286	A	32.7	Very low	30.8	Very low	86 Å²	86	147.7 Å²	147.7	71%	0.711	76%	0.755	S	S	*	*			cis	178.7	158.2	-14.8	0	0	0	0	0	105.3
287	E	31.6	Very low	30.7	Very low	184 Å²	184	147.9 Å²	147.9	86%	0.86	75%	0.752	S	S	*	*			trans	64	103.8	147.5	-74.4	169.1	-159.9	0	0	121.5
288	D	30.7	Very low	30.6	Very low	121 Å²	121	152.9 Å²	152.9	65%	0.647	76%	0.762	S	S	*	*				104	144.9	106.7	-149.7	19.6	0	0	0	120.7
289	R	30.1	Very low	30.5	Very low	200 Å²	200	148.7 Å²	148.7	76%	0.755	76%	0.757	S	S	*	*			trans	48.5	103.1	161.8	-80	152.4	-149.5	-151.9	0.3	122.1
290	S	27.5	Very low	30.5	Very low	98 Å²	98	144.6 Å²	144.6	69%	0.685	75%	0.745	S	S	*	*				14.1	121.2	116.4	62.2	0	0	0	0	119.6
291	Q	27.8	Very low	30.5	Very low	165 Å²	165	142.7 Å²	142.7	77%	0.771	74%	0.743	S	S	*	*				171.5	169.1	128.2	-95.2	171.3	7.4	0	0	110.2
292	F	27.5	Very low	30.5	Very low	184 Å²	184	148.3 Å²	148.3	81%	0.807	75%	0.752	S	S	*	*			trans	67.4	113.8	178.2	-58.4	-83.8	0	0	0	114.5
293	F	26.9	Very low	30.6	Very low	194 Å²	194	148.3 Å²	148.3	85%	0.851	75%	0.745	S	S	*	*			cis	60.2	106.2	25.8	-115.1	-71.6	0	0	0	114.2
294	S	25.9	Very low	30.4	Very low	102 Å²	102	154.6 Å²	154.6	71%	0.713	75%	0.753	S	S	*	*			trans	52.2	103.1	156.2	-175.6	0	0	0	0	118.4
295	K	29.3	Very low	30.5	Very low	159 Å²	159	150 Å²	150	69%	0.691	74%	0.74	S	S	*	*			trans	-148.3	116.8	142.6	-87.1	-145.7	173.6	-174.2	0	115.3
296	Y	28.9	Very low	30.6	Very low	168 Å²	168	154.1 Å²	154.1	66%	0.659	74%	0.736	S	S	*	*				81.1	121.5	126.8	-70.9	-154.6	0	0	0	116.7
297	N	26.7	Very low	30.8	Very low	131 Å²	131	155 Å²	155	70%	0.701	73%	0.729	S	S	*	*				75.1	108.3	68.4	-77.8	-10.1	0	0	0	113.7
298	F	32.6	Very low	31.1	Very low	200 Å²	200	152.4 Å²	152.4	88%	0.877	72%	0.721	S	S	*	*			trans	-163.9	97.4	144.1	-110.7	-78.8	0	0	0	104.8
299	D	29.9	Very low	31.4	Very low	135 Å²	135	152.9 Å²	152.9	72%	0.722	72%	0.722	S	S	*	*			cis	72.5	133.7	47.9	-153.9	7.1	0	0	0	114.4
300	T	33.1	Very low	31.5	Very low	80 Å²	80	151 Å²	151	49%	0.491	72%	0.722	S	S	.	*			trans	87.1	101.5	166.9	66.3	0	0	0	0	123.5
301	K	33.4	Very low	31.8	Very low	174 Å²	174	153.1 Å²	153.1	76%	0.757	72%	0.723	S	S	*	*				70	119	123	-61.6	163.3	-169.7	160.9	0	119.9
302	Y	32.7	Very low	32	Very low	207 Å²	207	150.7 Å²	150.7	81%	0.812	72%	0.715	S	S	*	*				169	152.6	99.4	-98.9	-89.3	0	0	0	108.8
303	K	34	Very low	32.4	Very low	155 Å²	155	148.6 Å²	148.6	67%	0.674	71%	0.712	S	S	*	*			cis	-179.9	126.3	-37	-153.4	179.9	-172.2	178.9	0	105.9
304	R	31.7	Very low	32.5	Very low	232 Å²	232	148.7 Å²	148.7	88%	0.875	71%	0.713	S	S	*	*			trans	67.8	156.3	160.6	-75.7	173	169.6	-170.7	-8.1	116.9
305	S	34.7	Very low	33	Very low	96 Å²	96	149.5 Å²	149.5	67%	0.671	72%	0.715	S	S	*	*			cis	-171.6	125.8	2.4	150.5	0	0	0	0	107
306	K	34.7	Very low	33	Very low	165 Å²	165	150.5 Å²	150.5	72%	0.717	72%	0.722	S	S	*	*				103.7	143.7	76.7	-163.6	-161.4	169.6	-80.2	0	110.9
307	D	37.7	Very low	33.3	Very low	106 Å²	106	147.7 Å²	147.7	57%	0.567	72%	0.724	S	S	*	*			trans	80.5	142.8	171	-54.6	-38.9	0	0	0	116.3
308	D	36.9	Very low	33.4	Very low	129 Å²	129	149.8 Å²	149.8	69%	0.69	73%	0.73	S	S	*	*			cis	-155.1	176.6	-1.5	-129.9	-26.7	0	0	0	117.5
309	L	37.5	Very low	33.1	Very low	130 Å²	130	149.4 Å²	149.4	68%	0.681	73%	0.731	S	S	*	*			trans	-38.7	168.2	164.3	-68.7	158	0	0	0	119.1
310	E	31.2	Very low	33.2	Very low	161 Å²	161	146.9 Å²	146.9	75%	0.752	74%	0.737	S	S	*	*			cis	-176.2	174.8	-21.9	-156.2	176.1	-133.8	0	0	109.4
311	M	34.1	Very low	33	Very low	142 Å²	142	151.3 Å²	151.3	70%	0.7	75%	0.754	S	S	*	*			trans	85.9	114.1	154.6	-62.7	-104.6	-79.4	0	0	124.2
312	N	33.3	Very low	32.9	Very low	114 Å²	114	147.7 Å²	147.7	61%	0.61	76%	0.757	S	S	*	*				90.5	124.3	124.9	-75.3	-11.5	0	0	0	126.7
313	N	34.3	Very low	32.7	Very low	140 Å²	140	144.1 Å²	144.1	75%	0.749	75%	0.752	S	S	*	*			trans	86.7	110.5	134.3	-65.8	-23.4	0	0	0	124.6
314	K	29.9	Very low	32.5	Very low	197 Å²	197	142.6 Å²	142.6	86%	0.857	76%	0.756	S	S	*	*			trans	-8.3	168	135.8	-71.4	-178.8	176.3	-177.7	0	120.3
315	P	35.8	Very low	32.5	Very low	118 Å²	118	140.7 Å²	140.7	77%	0.766	75%	0.754	S	S	*	*			cis	-137.7	-166.5	-28.8	38.5	-18	0	0	0	114.4
316	E	29.4	Very low	32	Very low	181 Å²	181	142 Å²	142	85%	0.846	76%	0.758	S	S	*	*			trans	-39.7	159	168.7	-84.6	-177.3	-169	0	0	117.5
317	P	34.8	Very low	31.7	Very low	108 Å²	108	142 Å²	142	70%	0.701	77%	0.765	S	S	*	*				-156.1	178.4	54.3	45.3	-23.6	0	0	0	121
318	E	29.2	Very low	31.1	Very low	175 Å²	175	142.4 Å²	142.4	82%	0.818	77%	0.771	S	S	*	*			trans	48.4	137.7	141.3	-74.1	177.6	171.7	0	0	126.1
319	E	27.5	Very low	30.8	Very low	193 Å²	193	144 Å²	144	90%	0.902	78%	0.779	S	S	*	*			trans	54.4	126.3	148.1	-61.7	-163.1	159.5	0	0	123
320	G	31	Very low	30.3	Very low	82 Å²	82	146.7 Å²	146.7	85%	0.845	79%	0.788	S	S	*	*			trans	-166.6	76.9	174.3	0	0	0	0	0	113.4
321	M	28.4	Very low	30.5	Very low	172 Å²	172	143.8 Å²	143.8	85%	0.847	78%	0.783	S	S	*	*			trans	-77.1	130.6	-177.3	174	161.6	49	0	0	113.1
322	A	32.6	Very low	30.4	Very low	98 Å²	98	145.2 Å²	145.2	81%	0.81	79%	0.794	S	S	*	*			trans	-135	113.4	170.9	0	0	0	0	0	112.2
323	N	28.8	Very low	30.3	Very low	132 Å²	132	142.9 Å²	142.9	71%	0.706	80%	0.797	S	S	*	*			trans	-71.4	161.9	174	-64.3	-61.5	0	0	0	111.6
324	T	29.6	Very low	30.1	Very low	124 Å²	124	144.1 Å²	144.1	76%	0.761	80%	0.802	S	S	*	*				165.4	150.4	96.3	-42.1	0	0	0	0	111.8
325	K	30.2	Very low	30.2	Very low	192 Å²	192	139.7 Å²	139.7	84%	0.835	80%	0.796	S	S	*	*			trans	90.5	73.2	159.2	-55	-166.1	179.4	174.4	0	119
326	T	25.7	Very low	29.7	Very low	124 Å²	124	145.5 Å²	145.5	76%	0.761	80%	0.803	S	S	*	*			trans	-45.2	142.8	137.7	-44.4	0	0	0	0	112.4	T328	T326-T328 WeakPolarHBondContact CG2-OG1 3.39Å
327	L	27.9	Very low	29.8	Very low	164 Å²	164	142 Å²	142	86%	0.859	80%	0.804	S	S	*	*			trans	-128.1	101.9	158.5	-106.8	168.5	0	0	0	109.4
328	T	26.1	Very low	29.5	Very low	114 Å²	114	141.6 Å²	141.6	70%	0.699	81%	0.805	S	S	*	*			trans	-102.2	125	171	-12.2	0	0	0	0	108.2	T326	T326-T328 WeakPolarHBondContact CG2-OG1 3.39Å
329	L	30.1	Very low	29.6	Very low	163 Å²	163	141.8 Å²	141.8	85%	0.853	81%	0.811	S	S	*	*			trans	-127.8	114.6	164.9	-80.9	169.4	0	0	0	109.1
330	Q	26.6	Very low	29.7	Very low	186 Å²	186	137 Å²	137	87%	0.869	81%	0.805	S	S	*	*			trans	-109.1	163.1	169	-97.4	-161.5	4.2	0	0	109.7
331	P	34.9	Very low	29.8	Very low	101 Å²	101	138.7 Å²	138.7	66%	0.656	80%	0.803	S	S	*	*			trans	-97.5	163.4	-144.7	37.4	-37.9	0	0	0	114.5
332	N	32.3	Very low	29.8	Very low	172 Å²	172	137.6 Å²	137.6	92%	0.92	80%	0.801	S	S	*	*			trans	177.8	146.8	132.4	-91.6	-31.1	0	0	0	110.9
333	G	31.3	Very low	29.8	Very low	65 Å²	65	142.3 Å²	142.3	67%	0.67	81%	0.806	S	S	*	*			trans	132.4	84.2	155.8	0	0	0	0	0	119.2
334	L	30.9	Very low	29.9	Very low	166 Å²	166	140.5 Å²	140.5	87%	0.869	80%	0.803	S	S	*	*			trans	69.7	113.7	131	-65.1	160.3	0	0	0	121.9
335	S	30.8	Very low	30.1	Very low	104 Å²	104	140 Å²	140	73%	0.727	81%	0.805	S	S	*	*				90.8	90.8	123.4	-60.1	0	0	0	0	122.1
336	R	26	Very low	30.2	Very low	240 Å²	240	138.7 Å²	138.7	91%	0.906	81%	0.806	S	S	*	*				59.5	102.6	118.5	-173.1	-179.8	174	173.8	-2.6	119
337	A	31.3	Very low	30.4	Very low	106 Å²	106	140.2 Å²	140.2	88%	0.876	81%	0.81	S	S	*	*			trans	-139.2	132.3	137.8	0	0	0	0	0	109.4
338	S	28.6	Very low	30.6	Very low	101 Å²	101	141.9 Å²	141.9	71%	0.706	81%	0.81	S	S	*	*			trans	-103	136.4	-175.7	49.9	0	0	0	0	111.3
339	N	32	Very low	30.7	Very low	178 Å²	178	142.2 Å²	142.2	95%	0.952	82%	0.817	S	S	*	*			trans	-148	135.6	149.8	-92.4	-29.3	0	0	0	108.7
340	A	28.7	Very low	30.8	Very low	93 Å²	93	138.9 Å²	138.9	77%	0.769	81%	0.813	S	S	*	*			trans	-112.6	152.2	-174.3	0	0	0	0	0	111
341	S	32.5	Very low	30.9	Very low	117 Å²	117	135.4 Å²	135.4	82%	0.818	81%	0.809	S	S	*	*			trans	-142.2	104.5	162.4	57.4	0	0	0	0	108.4
342	D	27.9	Very low	30.6	Very low	150 Å²	150	137.1 Å²	137.1	80%	0.802	82%	0.817	S	S	*	*			trans	-67.6	140.5	-179.5	-67.3	-68.4	0	0	0	112.3
343	H	33	Very low	30.6	Very low	196 Å²	196	134.3 Å²	134.3	91%	0.907	81%	0.809	S	S	*	*			trans	-124.2	103.4	151.7	-98.8	-84.5	0	0	0	109.1
344	S	32.2	Very low	30.4	Very low	94 Å²	94	142.8 Å²	142.8	66%	0.657	82%	0.82	S	S	*	*			trans	-73.6	128.2	-175.5	58.3	0	0	0	0	112.3	L346	S344-L346 PolarHBondContact O-N 3.02Å
345	S	32.4	Very low	30.4	Very low	113 Å²	113	142.9 Å²	142.9	79%	0.79	82%	0.821	S	S	*	*			trans	-68.7	111.1	173.4	51.3	0	0	0	0	112	N347	S345-N347 PolarHBondContact O-N 2.86Å
346	L	33.2	Very low	30.3	Very low	165 Å²	165	145.2 Å²	145.2	86%	0.864	83%	0.825	S	S	*	*			trans	-81.2	59	-179.2	-72.4	173.2	0	0	0	113.1	S344	S344-L346 PolarHBondContact O-N 3.02Å
347	N	30.3	Very low	30.4	Very low	156 Å²	156	139.6 Å²	139.6	83%	0.834	82%	0.819	S	S	*	*			trans	-105.2	65	169.1	-96	-37.7	0	0	0	111.3	S345	S345-N347 PolarHBondContact O-N 2.86Å
348	K	31.3	Very low	30.4	Very low	200 Å²	200	143 Å²	143	87%	0.87	82%	0.822	S	S	*	*			trans	-144.8	118.5	172.2	-101.4	172.9	-176.8	170.9	0	113.3
349	S	27.9	Very low	30.6	Very low	120 Å²	120	147.6 Å²	147.6	84%	0.839	83%	0.829	S	S	*	*			trans	75.1	100.1	147.7	-53.8	0	0	0	0	120.7
350	A	31.6	Very low	30.5	Very low	94 Å²	94	146.4 Å²	146.4	78%	0.777	82%	0.822	S	S	*	*			trans	-159	96.7	137.4	0	0	0	0	0	113.9
351	S	30	Very low	30.7	Very low	112 Å²	112	149 Å²	149	78%	0.783	83%	0.829	S	S	*	*			trans	55.8	90.8	156	61.8	0	0	0	0	120.5
352	V	29	Very low	30.5	Very low	137 Å²	137	151.5 Å²	151.5	83%	0.83	83%	0.827	S	S	*	*			trans	-109.5	125.6	143.7	179.7	0	0	0	0	107.7	R354	V352-R354 PolarHBondContact O-N 3.36Å
353	P	31.4	Very low	30.9	Very low	113 Å²	113	151.3 Å²	151.3	73%	0.734	83%	0.832	S	S	*	*			trans	-68	117.6	179.8	-19.1	32	0	0	0	111.9	L355	P353-L355 PolarHBondContact O-N 3.21Å
354	R	26.9	Very low	31	Very low	243 Å²	243	148.3 Å²	148.3	92%	0.917	83%	0.828	S	S	*	*			trans	-64.7	122	160.4	-79.4	-179.2	169.3	-176.3	-3.7	108.5	V352	V352-R354 PolarHBondContact O-N 3.36Å
355	L	30.5	Very low	31.4	Very low	168 Å²	168	149.1 Å²	149.1	88%	0.88	83%	0.831	S	S	*	*			trans	-105.8	141.4	159.6	-77	172.4	0	0	0	109.4	P353	P353-L355 PolarHBondContact O-N 3.21Å
356	L	29.8	Very low	31.5	Very low	154 Å²	154	150.7 Å²	150.7	81%	0.806	84%	0.835	S	S	*	*	P	Polyproline II helix	trans	-84.6	150.3	-158.4	-66.7	156.9	0	0	0	112.7
357	P	26.9	Very low	31.4	Very low	122 Å²	122	146.9 Å²	146.9	79%	0.792	83%	0.827	S	S	*	*	P	Polyproline II helix	trans	-76.7	130.4	168.8	32	-32.1	0	0	0	110.5
358	L	32.4	Very low	31.6	Very low	177 Å²	177	151 Å²	151	93%	0.927	83%	0.831	S	S	*	*	P	Polyproline II helix	trans	-102.9	141.9	170.2	-87.3	164	0	0	0	110.3
359	K	32.9	Very low	31.6	Very low	198 Å²	198	150.2 Å²	150.2	86%	0.861	83%	0.831	S	S	*	*	P	Polyproline II helix	trans	-79.9	164.4	-169.5	-70.8	179.5	173.1	-178.4	0	113.8
360	D	29.3	Very low	31.5	Very low	152 Å²	152	152.5 Å²	152.5	81%	0.813	83%	0.831	S	S	*	*	P	Polyproline II helix	trans	-64.5	144	-177	-40.8	-91.5	0	0	0	114.7
361	V	33.4	Very low	31.4	Very low	149 Å²	149	154.1 Å²	154.1	90%	0.903	83%	0.832	S	S	*	*			trans	-142.9	138.9	144.1	-179.7	0	0	0	0	108
362	E	28.2	Very low	31.3	Very low	169 Å²	169	157.8 Å²	157.8	79%	0.79	84%	0.838	S	S	*	*			trans	-85.2	149.4	-169.9	-56.3	166.8	125.5	0	0	113.7
363	T	35.6	Very low	31.4	Very low	146 Å²	146	155.5 Å²	155.5	90%	0.896	83%	0.834	S	S	*	*				-178.1	152.2	121.2	25.2	0	0	0	0	112.1
364	T	35.3	Very low	31.3	Very low	133 Å²	133	159.8 Å²	159.8	82%	0.816	84%	0.841	S	S	*	*			trans	-115.7	-173.2	-156.5	48.8	0	0	0	0	113.4
365	P	40.1	Very low	31.5	Very low	111 Å²	111	154 Å²	154	72%	0.721	84%	0.838	S	S	*	*				-136.8	176.9	-54	38.8	-23.1	0	0	0	113.4
366	V	34.5	Very low	31.6	Very low	145 Å²	145	153.9 Å²	153.9	88%	0.879	84%	0.837	S	S	*	*			trans	175.1	134.4	136.6	169.4	0	0	0	0	106.9
367	A	31.8	Very low	31.9	Very low	85 Å²	85	151.8 Å²	151.8	70%	0.702	83%	0.832	S	S	*	*			cis	177	125.7	-31.6	0	0	0	0	0	106.9
368	R	35.4	Very low	32.1	Very low	243 Å²	243	153.6 Å²	153.6	92%	0.917	84%	0.835	S	S	*	*			trans	145.2	68.9	163.2	-85.8	174.9	178.2	-170.9	-0	110.5
369	Q	29.6	Very low	32	Very low	184 Å²	184	151.9 Å²	151.9	86%	0.86	83%	0.826	S	S	*	*				72.6	94.6	95.5	-81.8	-175.6	-24.7	0	0	116.1
370	I	26.2	Very low	31.8	Very low	167 Å²	167	150.3 Å²	150.3	86%	0.856	83%	0.827	S	S	*	*			trans	-118.2	143.2	144.9	-70.1	172	0	0	0	105.6
371	V	31	Very low	31.8	Very low	129 Å²	129	148 Å²	148	78%	0.782	83%	0.828	S	S	*	*			trans	-107.9	129.6	-178.9	177.9	0	0	0	0	110.3
372	M	27.3	Very low	31.5	Very low	188 Å²	188	146.9 Å²	146.9	93%	0.926	82%	0.822	S	S	*	*			trans	-138.3	137.8	162.5	-85.6	-153.4	171.1	0	0	110.8
373	A	29.8	Very low	31.6	Very low	90 Å²	90	145 Å²	145	74%	0.744	83%	0.825	S	S	*	*			trans	-165.4	153.2	164	0	0	0	0	0	107.7
374	K	30.4	Very low	31.4	Very low	203 Å²	203	147.1 Å²	147.1	88%	0.883	82%	0.821	S	S	*	*			cis	-167.9	143.7	-17.7	-107.5	178.3	-178.9	179	0	104.4
375	S	29.9	Very low	31.2	Very low	122 Å²	122	145.2 Å²	145.2	85%	0.853	82%	0.819	S	S	*	*			trans	-150.1	145.7	170.5	46.8	0	0	0	0	112.3
376	I	32.6	Very low	31	Very low	164 Å²	164	143.2 Å²	143.2	84%	0.841	81%	0.805	S	S	*	*			trans	-125.8	178.4	175.6	-20.5	179.4	0	0	0	107.4
377	P	37.9	Very low	30.7	Very low	111 Å²	111	139.6 Å²	139.6	72%	0.721	78%	0.78	S	S	*	*				-106.4	174.7	-115	40.3	-25.8	0	0	0	114.1
378	D	30.5	Very low	30.8	Very low	160 Å²	160	136.4 Å²	136.4	86%	0.856	75%	0.75	S	S	*	*			trans	-150.3	154.3	140.2	-147.1	-11.3	0	0	0	113
379	I	29.3	Very low	30.5	Very low	141 Å²	141	126.8 Å²	126.8	72%	0.723	72%	0.716	S	S	*	*			trans	-113.8	93.3	-175.3	-61.6	166.8	0	0	0	107.2
380	N	29.1	Very low	30.5	Very low	165 Å²	165	119.2 Å²	119.2	88%	0.882	69%	0.685	S	S	*	*			trans	169.3	86.5	156.9	-88.3	-34.1	0	0	0	111.3
381	A	29.5	Very low	30.9	Very low	102 Å²	102	113.5 Å²	113.5	84%	0.843	66%	0.659	S	S	*	*			trans	-153.3	127.4	166.7	0	0	0	0	0	112.2
382	T	28	Very low	31.3	Very low	126 Å²	126	109.3 Å²	109.3	77%	0.773	63%	0.633	S	S	*	*	P	Polyproline II helix	trans	-68.9	141	174.1	36.2	0	0	0	0	111.7	K384	T382-K384 PolarHBondContact O-N 2.73Å
383	P	30.2	Very low	31.6	Very low	130 Å²	130	104.5 Å²	104.5	84%	0.844	62%	0.623	S	S	*	*	P	Polyproline II helix	trans	-73.4	116.5	179.3	29.4	-33	0	0	0	110.7
384	K	31	Very low	32.3	Very low	190 Å²	190	103.7 Å²	103.7	83%	0.826	61%	0.61	S	S	*	*	P	Polyproline II helix	trans	-75.2	124.2	170.8	-68.6	179.7	178.3	176.9	0	109.4	T382	T382-K384 PolarHBondContact O-N 2.73Å
385	A	30.4	Very low	33	Very low	93 Å²	93	96.4 Å²	96.4	77%	0.769	58%	0.583	S	S	*	*	P	Polyproline II helix	trans	-65.2	148	171.2	0	0	0	0	0	110.6
386	V	35.5	Very low	34.3	Very low	69 Å²	69	101.5 Å²	101.5	42%	0.418	58%	0.583	S	S	.	*			trans	-132.3	105.6	-176.6	-151.5	0	0	0	0	113.8	R388 R999	V386-R388 PolarHBondContact O-N 3.06Å; V386-R999 HydrophobicContact CG1-CB 3.65Å; V386-R999 HydrophobicContact CG1-CG 3.52Å
387	N	29.8	Very low	35.9	Very low	69 Å²	69	97.8 Å²	97.8	37%	0.369	56%	0.561	S	S	.	*			trans	-76.3	115.4	173.5	-68.3	-1	0	0	0	110	T574	N387-T574 HydrophobicContact CB-CG2 4.43Å; N387-T574 PolarHBondContact ND2-OG1 2.88Å
388	R	32.4	Very low	37.8	Very low	19 Å²	19	100.7 Å²	100.7	7%	0.072	56%	0.563	C	S	.	*			trans	-129.4	92	158.5	-83.8	-163	-162.7	164.3	7.2	108.4	V386 E469 R581 E996 R999 N1000 E1003	V386-R388 PolarHBondContact O-N 3.06Å; R388-E469 IonicContact NH1-OE2 3.73Å; R388-R581 PolarHBondContact O-NH1 3.14Å; R388-R581 PolarHBondContact O-NH2 3.25Å; R388-E996 HydrophobicContact CB-CG 4.45Å; R388-E996 HydrophobicContact CG-CB 4.26Å; R388-E996 HydrophobicContact CG-CG 3.96Å; R388-R999 VanDerWaalsContact CD-CZ 3.49Å; R388-R999 HydrophobicContact CG-CB 4.23Å; R388-R999 VanDerWaalsContact NE-CZ 3.32Å; R388-R999 VanDerWaalsContact NH1-NH2 3.14Å; R388-N1000 PolarHBondContact NH2-ND2 3.27Å; R388-N1000 PolarHBondContact NH2-OD1 2.91Å; R388-E1003 IonicContact NH2-OE2 3.43Å
389	M	30.2	Very low	40.3	Very low	40 Å²	40	94.3 Å²	94.3	20%	0.197	53%	0.527	C	S	.	.			trans	-96.5	131	150.8	-69.2	-174.5	76.2	0	0	106.1	I573 T574 R581 A585 C992	M389-I573 HydrophobicContact CE-CG2 3.63Å; M389-I573 HydrophobicContact SD-CB 4.43Å; M389-I573 HydrophobicContact SD-CG2 3.53Å; M389-I573 VanDerWaalsContact SD-CG2 3.53Å; M389-T574 HydrophobicContact SD-CG2 4.16Å; M389-R581 HydrophobicContact CE-CG 4.35Å; M389-R581 HydrophobicContact CG-CG 4.16Å; M389-R581 HydrophobicContact SD-CG 4.23Å; M389-A585 HydrophobicContact CE-CB 4.05Å; M389-C992 VanDerWaalsContact O-CA 3.3Å; M389-C992 WeakPolarHBondContact O-CA 3.42Å; M389-C992 WeakPolarHBondContact O-CB 3.21Å; M389-C992 PolarHBondContact O-SG 3.15Å
390	A	29.2	Very low	43	Very low	25 Å²	25	93 Å²	93	21%	0.207	52%	0.52	C	S	.	.			trans	-135.1	147.6	155.2	0	0	0	0	0	109.3	V392 C992 E996	A390-V392 PolarHBondContact O-N 3.05Å; A390-C992 HydrophobicContact CB-CB 3.89Å; A390-E996 HydrophobicContact CB-CG 4.03Å
391	P	34.8	Very low	45.9	Very low	48 Å²	48	87.1 Å²	87.1	31%	0.312	49%	0.486	S	S	.	.			trans	-68.7	109.9	-177.1	4.2	7.9	0	0	0	107.6	A393 E989	P391-A393 PolarHBondContact O-N 2.93Å; P391-E989 HydrophobicContact CG-CB 3.91Å; P391-E989 HydrophobicContact CG-CG 3.61Å
392	V	39	Very low	48.9	Very low	40 Å²	40	86.1 Å²	86.1	24%	0.242	46%	0.463	C	S	.	.			trans	-65	95.6	-178.7	177.8	0	0	0	0	108.8	A390 T394 P470	A390-V392 PolarHBondContact O-N 3.05Å; V392-T394 PolarHBondContact O-N 3.43Å; V392-T394 VanDerWaalsContact O-N 3.14Å; V392-P470 HydrophobicContact CB-CB 4.34Å; V392-P470 HydrophobicContact CG1-CB 3.65Å; V392-P470 HydrophobicContact CG1-CG 3.58Å; V392-P470 HydrophobicContact CG2-CB 3.69Å
393	A	33.9	Very low	51.9	Low	87 Å²	87	84 Å²	84	72%	0.719	45%	0.453	S	S	*	.			trans	-53.3	121.5	167.9	0	0	0	0	0	108.3	P391 P395	P391-A393 PolarHBondContact O-N 2.93Å; A393-P395 WeakPolarHBondContact O-CD 3.01Å
394	T	44.6	Very low	54.6	Low	74 Å²	74	82.4 Å²	82.4	45%	0.454	43%	0.433	S	S	.	.			trans	-49.2	117.7	-175.7	45.8	0	0	0	0	110	V392 R396 F586	V392-T394 PolarHBondContact O-N 3.43Å; V392-T394 VanDerWaalsContact O-N 3.14Å; T394-R396 PolarHBondContact O-N 2.82Å; T394-F586 HydrophobicContact CG2-CE2 4.08Å; T394-F586 HydrophobicContact CG2-CZ 4.43Å
395	P	44.7	Very low	57.4	Low	49 Å²	49	76.9 Å²	76.9	32%	0.318	42%	0.416	S	S	.	.			trans	-70.3	98.2	-171.3	25.6	-33.6	0	0	0	109.7	A393 K397 P446	A393-P395 WeakPolarHBondContact O-CD 3.01Å; P395-K397 PolarHBondContact O-N 2.87Å; P395-P446 WeakPolarHBondContact O-CB 3.37Å
396	R	57.1	Low	60.1	Low	229 Å²	229	72.6 Å²	72.6	86%	0.864	38%	0.38	S	S	*	.			trans	-72.2	38.8	170	-66.6	-172.6	176.9	-171.6	0.2	111.7	T394 K398	T394-R396 PolarHBondContact O-N 2.82Å; R396-K398 PolarHBondContact O-N 3.41Å
397	K	67.1	Low	62.5	Low	87 Å²	87	75.7 Å²	75.7	38%	0.378	39%	0.393	S	S	.	.	P	Polyproline II helix	trans	-68.2	124.6	179.8	-169.9	172.6	-179.8	178.9	0	108.8	P395 D430 C447	P395-K397 PolarHBondContact O-N 2.87Å; K397-D430 WeakPolarHBondContact CE-OD2 3.32Å; K397-D430 IonicContact NZ-OD1 2.68Å; K397-D430 PolarHBondContact NZ-OD1 2.94Å; K397-D430 IonicContact NZ-OD2 3.71Å; K397-D430 PolarHBondContact NZ-OD2 2.91Å; K397-C447 HydrophobicContact CB-CB 4.36Å; K397-C447 HydrophobicContact CG-CB 4.4Å; K397-C447 WeakPolarHBondContact O-CB 3.35Å; K397-C447 PolarHBondContact O-N 2.75Å
398	K	78	Confident	65.1	Low	172 Å²	172	82.8 Å²	82.8	75%	0.748	42%	0.415	S	S	*	.	P	Polyproline II helix	trans	-80.3	149.1	171.7	-65.9	177	179.5	176	0	109.3	R396 M400	R396-K398 PolarHBondContact O-N 3.41Å; K398-M400 PolarHBondContact O-N 3.2Å
399	H	82.8	Confident	67.5	Low	25 Å²	25	84.6 Å²	84.6	12%	0.116	43%	0.43	C	S	.	.	P	Polyproline II helix	trans	-62.9	129.9	176.1	-65.2	-62.7	0	0	0	112.1	F401 C428 C431 I444 Q445 C447	H399-F401 HydrophobicContact CB-CD2 3.85Å; H399-F401 HydrophobicContact CB-CE1 4.18Å; H399-F401 HydrophobicContact CB-CE2 3.32Å; H399-F401 HydrophobicContact CB-CG 4.48Å; H399-F401 HydrophobicContact CB-CZ 3.48Å; H399-F401 VanDerWaalsContact CB-CZ 3.48Å; H399-F401 AromaticContact CD2-CZ 3.74Å; H399-F401 AromaticContact CG-CE2 3.95Å; H399-F401 AromaticContact CG-CZ 3.67Å; H399-C428 HydrophobicContact CB-CB 4.36Å; H399-C431 PolarHBondContact CE1-SG 2.99Å; H399-C431 PolarHBondContact ND1-SG 3.37Å; H399-I444 PolarHBondContact NE2-O 2.61Å; H399-Q445 PolarHBondContact CD2-NE2 3.12Å; H399-Q445 PolarHBondContact NE2-NE2 3.24Å; H399-C447 WeakPolarHBondContact ND1-CB 3.35Å; H399-C447 PolarHBondContact ND1-SG 3.02Å
400	M	86.2	Confident	70.2	Confident	115 Å²	115	85 Å²	85	57%	0.567	43%	0.432	S	S	*	.			trans	-91.3	107.9	163.2	-65.4	-175.7	68.7	0	0	109.5	K398 C428 L429	K398-M400 PolarHBondContact O-N 3.2Å; M400-C428 CarbonylContact O-C 3.53Å; M400-C428 VanDerWaalsContact O-CA 3.25Å; M400-C428 WeakPolarHBondContact O-CA 3.39Å; M400-C428 PolarHBondContact O-SG 2.67Å; M400-L429 HydrophobicContact CB-CD1 4.28Å; M400-L429 PolarHBondContact O-N 2.84Å
401	F	90.4	Very high	73	Confident	40 Å²	40	86.4 Å²	86.4	18%	0.175	44%	0.438	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	139.9	-178.4	-70.9	-71.8	0	0	0	112.6	H399 L426 R427 C428 T433 L435 R440 A443	H399-F401 HydrophobicContact CB-CD2 3.85Å; H399-F401 HydrophobicContact CB-CE1 4.18Å; H399-F401 HydrophobicContact CB-CE2 3.32Å; H399-F401 HydrophobicContact CB-CG 4.48Å; H399-F401 HydrophobicContact CB-CZ 3.48Å; H399-F401 VanDerWaalsContact CB-CZ 3.48Å; H399-F401 AromaticContact CD2-CZ 3.74Å; H399-F401 AromaticContact CG-CE2 3.95Å; H399-F401 AromaticContact CG-CZ 3.67Å; F401-L426 HydrophobicContact CB-CB 4.24Å; F401-L426 HydrophobicContact CD1-CB 3.88Å; F401-L426 HydrophobicContact CG-CB 4.19Å; F401-R427 WeakPolarHBondContact CA-O 3.48Å; F401-C428 HydrophobicContact CD1-CB 4.08Å; F401-C428 HydrophobicContact CE1-CB 3.94Å; F401-T433 HydrophobicContact CE1-CG2 3.95Å; F401-T433 HydrophobicContact CZ-CG2 4.27Å; F401-L435 HydrophobicContact CE1-CD1 4.44Å; F401-L435 HydrophobicContact CE1-CD2 3.88Å; F401-L435 HydrophobicContact CE1-CG 4.11Å; F401-L435 HydrophobicContact CZ-CD2 3.7Å; F401-L435 HydrophobicContact CZ-CG 4.37Å; F401-R440 HydrophobicContact CD2-CG 4.28Å; F401-R440 HydrophobicContact CE2-CG 4.19Å; F401-A443 HydrophobicContact CE2-CB 4.45Å; F401-A443 HydrophobicContact CZ-CB 3.96Å
402	F	90.6	Very high	75.6	Confident	81 Å²	81	84.1 Å²	84.1	36%	0.355	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	151.7	161.3	76.3	-84.7	0	0	0	110.7	K404 L426 R427 L429	F402-K404 HydrophobicContact CE2-CB 4.07Å; F402-L426 CarbonylContact O-C 3.59Å; F402-L426 WeakPolarHBondContact O-CA 3.34Å; F402-R427 HydrophobicContact CD1-CB 4.25Å; F402-R427 WeakPolarHBondContact CD1-O 3.24Å; F402-R427 HydrophobicContact CE1-CB 3.69Å; F402-R427 HydrophobicContact CE1-CG 3.93Å; F402-R427 HydrophobicContact CZ-CB 3.89Å; F402-R427 HydrophobicContact CZ-CG 4.22Å; F402-R427 PolarHBondContact N-O 2.87Å; F402-R427 PolarHBondContact O-N 2.89Å; F402-L429 HydrophobicContact CD1-CD2 3.46Å; F402-L429 VanDerWaalsContact CD1-CD2 3.46Å; F402-L429 HydrophobicContact CD1-CG 4.04Å; F402-L429 HydrophobicContact CE1-CD2 3.95Å; F402-L429 HydrophobicContact CG-CD2 4.26Å
403	S	91.5	Very high	77.9	Confident	81 Å²	81	83.4 Å²	83.4	57%	0.566	42%	0.417	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.2	139.7	178.1	-61	0	0	0	0	111.2	L425 L426	S403-L425 WeakPolarHBondContact CA-O 3.45Å; S403-L426 WeakPolarHBondContact OG-CD2 3.17Å
404	K	87.5	Confident	80.3	Confident	98 Å²	98	80.7 Å²	80.7	43%	0.426	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	135.1	174.4	-174.3	-179	177.7	-178.1	0	111.4	F402 L425	F402-K404 HydrophobicContact CE2-CB 4.07Å; K404-L425 HydrophobicContact CB-CD1 4.08Å; K404-L425 HydrophobicContact CB-CG 4.28Å; K404-L425 PolarHBondContact N-O 2.78Å; K404-L425 PolarHBondContact O-N 3.49Å
405	T	90.2	Very high	82.4	Confident	74 Å²	74	79.3 Å²	79.3	45%	0.454	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	132.2	171.2	-49.5	0	0	0	0	111	L407	T405-L407 PolarHBondContact O-N 3.4Å
406	V	86.9	Confident	84.3	Confident	3 Å²	3	83.7 Å²	83.7	2%	0.018	40%	0.401	C	S	.	.			trans	-78.8	99.5	-176.2	-179.9	0	0	0	0	109.9	R408 I419 N420 F421 G422 R423 L425	V406-R408 WeakPolarHBondContact CG1-O 3.39Å; V406-I419 HydrophobicContact CG2-CB 4.24Å; V406-I419 HydrophobicContact CG2-CG2 3.51Å; V406-N420 WeakPolarHBondContact CB-O 3.47Å; V406-F421 WeakPolarHBondContact O-CA 3.42Å; V406-G422 PolarHBondContact O-N 2.97Å; V406-R423 WeakPolarHBondContact CB-O 3.34Å; V406-R423 WeakPolarHBondContact CG2-O 3.46Å; V406-R423 PolarHBondContact N-O 2.99Å; V406-L425 HydrophobicContact CG2-CB 3.95Å; V406-L425 HydrophobicContact CG2-CD2 3.81Å; V406-L425 HydrophobicContact CG2-CG 4.06Å
407	L	85.5	Confident	85.8	Confident	133 Å²	133	79.9 Å²	79.9	70%	0.696	39%	0.391	S	S	*	.	S	Bend	trans	-83.7	-13.8	177.1	-59.1	-179.6	0	0	0	113.8	T405 F421	T405-L407 PolarHBondContact O-N 3.4Å; L407-F421 WeakPolarHBondContact O-CD2 3.34Å; L407-F421 WeakPolarHBondContact O-CE2 3.49Å
408	R	83.8	Confident	86.9	Confident	219 Å²	219	81.8 Å²	81.8	83%	0.826	40%	0.399	S	S	*	.	S	Bend	trans	-150.1	139	175.5	-170.8	175.2	-172	147.3	2.1	106.8	V406 E410	V406-R408 WeakPolarHBondContact CG1-O 3.39Å; R408-E410 PolarHBondContact O-N 3.24Å
409	S	83.7	Confident	87.5	Confident	56 Å²	56	73.6 Å²	73.6	39%	0.392	36%	0.363	S	S	.	.			trans	-56.5	125	-172.2	-56.9	0	0	0	0	112.9	K418 I419	S409-K418 WeakPolarHBondContact OG-CE 3.01Å; S409-I419 WeakPolarHBondContact CA-O 3.43Å
410	E	86.8	Confident	87.8	Confident	50 Å²	50	76.8 Å²	76.8	23%	0.234	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	176	175.3	-70.6	-82.8	-159.7	0	0	109.4	R408 K418 I419 L425 R427 Q434	R408-E410 PolarHBondContact O-N 3.24Å; E410-K418 WeakPolarHBondContact O-CA 3.26Å; E410-I419 HydrophobicContact CB-CB 4.42Å; E410-I419 HydrophobicContact CB-CD1 4.48Å; E410-I419 PolarHBondContact N-O 3.47Å; E410-I419 PolarHBondContact O-N 2.92Å; E410-L425 HydrophobicContact CB-CD2 4.14Å; E410-L425 HydrophobicContact CG-CD2 3.83Å; E410-R427 IonicContact OE1-NH2 3.83Å; E410-R427 PolarHBondContact OE1-NH2 3.28Å; E410-Q434 PolarHBondContact OE2-NE2 2.8Å; E410-Q434 PolarHBondContact OE2-OE1 2.95Å
411	V	88.3	Confident	88	Confident	54 Å²	54	78.3 Å²	78.3	33%	0.327	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	140.8	173.1	179.8	0	0	0	0	108.2	E416 Q434	V411-E416 WeakPolarHBondContact CG1-O 3.4Å; V411-Q434 PolarHBondContact O-NE2 2.78Å
412	C	89.9	Confident	87.7	Confident	0 Å²	0	78.6 Å²	78.6	0%	0	40%	0.399	C	S	.	.			trans	-80	125.7	176.6	174.7	0	0	0	0	110.9	V414 E416 K417 I419 L435 H436	C412-V414 PolarHBondContact O-N 3.39Å; C412-V414 VanDerWaalsContact O-N 3.14Å; C412-V414 PolarHBondContact SG-N 2.74Å; C412-E416 VanDerWaalsContact O-CA 3.23Å; C412-E416 WeakPolarHBondContact O-CA 3.27Å; C412-E416 PolarHBondContact O-N 2.76Å; C412-K417 PolarHBondContact N-O 3.13Å; C412-I419 HydrophobicContact CB-CD1 4.21Å; C412-I419 HydrophobicContact CB-CG1 4.17Å; C412-L435 VanDerWaalsContact SG-CA 3.5Å; C412-L435 VanDerWaalsContact SG-CB 3.6Å; C412-H436 WeakPolarHBondContact CB-CE1 3.3Å; C412-H436 WeakPolarHBondContact CB-ND1 3.45Å; C412-H436 PolarHBondContact SG-ND1 3.26Å
413	D	85.7	Confident	87.7	Confident	24 Å²	24	83.1 Å²	83.1	13%	0.128	41%	0.414	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-10.2	-179.8	-63.3	-14.8	0	0	0	113.5	T433 Q434	D413-T433 WeakPolarHBondContact CB-OG1 3.26Å; D413-T433 WeakPolarHBondContact OD2-CA 3.28Å; D413-T433 WeakPolarHBondContact OD2-CB 3.3Å; D413-T433 PolarHBondContact OD2-OG1 3.37Å; D413-Q434 WeakPolarHBondContact CB-O 3.43Å; D413-Q434 PolarHBondContact N-O 2.92Å; D413-Q434 PolarHBondContact OD2-N 3.23Å
414	V	86.2	Confident	87.5	Confident	31 Å²	31	81.9 Å²	81.9	19%	0.188	40%	0.403	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.7	-42.6	-174.1	174.9	0	0	0	0	113	C412 L435 C439 N442	C412-V414 PolarHBondContact O-N 3.39Å; C412-V414 VanDerWaalsContact O-N 3.14Å; C412-V414 PolarHBondContact SG-N 2.74Å; V414-L435 HydrophobicContact CG2-CB 4.01Å; V414-L435 HydrophobicContact CG2-CD2 3.7Å; V414-C439 HydrophobicContact CB-CB 4.06Å; V414-C439 HydrophobicContact CG1-CB 4.07Å; V414-N442 HydrophobicContact CG1-CB 3.48Å; V414-N442 VanDerWaalsContact CG1-CB 3.48Å; V414-N442 WeakPolarHBondContact CG1-O 3.37Å
415	C	86.9	Confident	87.8	Confident	44 Å²	44	77.3 Å²	77.3	30%	0.297	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115.2	1.2	-177.3	73.6	0	0	0	0	113.5	K417 H436	C415-K417 PolarHBondContact O-N 3.09Å; C415-H436 PolarHBondContact SG-CE1 3.02Å; C415-H436 PolarHBondContact SG-ND1 3.43Å
416	E	84.5	Confident	87.9	Confident	141 Å²	141	74.1 Å²	74.1	66%	0.659	36%	0.363	S	S	*	.			trans	59	3.4	178.8	-57.1	-178.2	176.7	0	0	115.2	V411 C412	V411-E416 WeakPolarHBondContact CG1-O 3.4Å; C412-E416 VanDerWaalsContact O-CA 3.23Å; C412-E416 WeakPolarHBondContact O-CA 3.27Å; C412-E416 PolarHBondContact O-N 2.76Å
417	K	88.9	Confident	88	Confident	150 Å²	150	76.8 Å²	76.8	65%	0.652	37%	0.373	S	S	*	.			trans	-81.7	151.6	176.4	-65	173.8	-172.9	179.6	0	111.6	C412 C415 H436	C412-K417 PolarHBondContact N-O 3.13Å; C415-K417 PolarHBondContact O-N 3.09Å; K417-H436 PolarHBondContact O-CE1 3.16Å
418	K	91.2	Very high	88.2	Confident	126 Å²	126	70.5 Å²	70.5	55%	0.548	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63	136.8	177.5	-165.6	174.5	-178.5	-179.9	0	111.3	S409 E410 H436	S409-K418 WeakPolarHBondContact OG-CE 3.01Å; E410-K418 WeakPolarHBondContact O-CA 3.26Å; K418-H436 PolarHBondContact O-NE2 2.83Å; K418-H436 VanDerWaalsContact O-NE2 3.16Å
419	I	90.6	Very high	88.3	Confident	0 Å²	0	65.2 Å²	65.2	0%	0	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	114	166.9	-42.8	-178.4	0	0	0	106.8	V406 S409 E410 C412 R423 L425	V406-I419 HydrophobicContact CG2-CB 4.24Å; V406-I419 HydrophobicContact CG2-CG2 3.51Å; S409-I419 WeakPolarHBondContact CA-O 3.43Å; E410-I419 HydrophobicContact CB-CB 4.42Å; E410-I419 HydrophobicContact CB-CD1 4.48Å; E410-I419 PolarHBondContact N-O 3.47Å; E410-I419 PolarHBondContact O-N 2.92Å; C412-I419 HydrophobicContact CB-CD1 4.21Å; C412-I419 HydrophobicContact CB-CG1 4.17Å; I419-R423 HydrophobicContact CG2-CB 4.18Å; I419-L425 HydrophobicContact CD1-CB 3.72Å; I419-L425 HydrophobicContact CG2-CB 4.4Å
420	N	89.4	Confident	88.1	Confident	92 Å²	92	64.5 Å²	64.5	49%	0.492	32%	0.319	S	S	.	.			trans	-75.5	157.6	-172.6	-72.1	-26.4	0	0	0	112.5	V406 R423	V406-N420 WeakPolarHBondContact CB-O 3.47Å; N420-R423 HydrophobicContact CB-CG 4.36Å; N420-R423 WeakPolarHBondContact O-CB 3.06Å; N420-R423 PolarHBondContact O-N 3.38Å
421	F	90	Very high	87.9	Confident	147 Å²	147	62.5 Å²	62.5	65%	0.645	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.7	140.6	175.8	177.7	-93.7	0	0	0	111.4	V406 L407 R423	V406-F421 WeakPolarHBondContact O-CA 3.42Å; L407-F421 WeakPolarHBondContact O-CD2 3.34Å; L407-F421 WeakPolarHBondContact O-CE2 3.49Å; F421-R423 PolarHBondContact O-N 2.76Å
422	G	83.6	Confident	87.7	Confident	46 Å²	46	66.2 Å²	66.2	47%	0.474	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.9	-8.8	-179.8	0	0	0	0	0	115.6	V406	V406-G422 PolarHBondContact O-N 2.97Å
423	R	91.3	Very high	87.6	Confident	177 Å²	177	67 Å²	67	67%	0.668	32%	0.324	S	S	*	.	P	Polyproline II helix	trans	-77.6	162.5	172.3	-63.8	-66	-178	166.8	-1.4	111.3	V406 I419 N420 F421	V406-R423 WeakPolarHBondContact CB-O 3.34Å; V406-R423 WeakPolarHBondContact CG2-O 3.46Å; V406-R423 PolarHBondContact N-O 2.99Å; I419-R423 HydrophobicContact CG2-CB 4.18Å; N420-R423 HydrophobicContact CB-CG 4.36Å; N420-R423 WeakPolarHBondContact O-CB 3.06Å; N420-R423 PolarHBondContact O-N 3.38Å; F421-R423 PolarHBondContact O-N 2.76Å
424	V	87.8	Confident	87.8	Confident	55 Å²	55	66.6 Å²	66.6	33%	0.333	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	127.8	172.7	-179.8	0	0	0	0	109.1
425	L	92.5	Very high	88.1	Confident	2 Å²	2	65.1 Å²	65.1	1%	0.01	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	150.2	162.9	71.4	80.4	0	0	0	109.6	S403 K404 V406 E410 I419 R427 Q434	S403-L425 WeakPolarHBondContact CA-O 3.45Å; K404-L425 HydrophobicContact CB-CD1 4.08Å; K404-L425 HydrophobicContact CB-CG 4.28Å; K404-L425 PolarHBondContact N-O 2.78Å; K404-L425 PolarHBondContact O-N 3.49Å; V406-L425 HydrophobicContact CG2-CB 3.95Å; V406-L425 HydrophobicContact CG2-CD2 3.81Å; V406-L425 HydrophobicContact CG2-CG 4.06Å; E410-L425 HydrophobicContact CB-CD2 4.14Å; E410-L425 HydrophobicContact CG-CD2 3.83Å; I419-L425 HydrophobicContact CD1-CB 3.72Å; I419-L425 HydrophobicContact CG2-CB 4.4Å; L425-R427 HydrophobicContact CD1-CB 3.7Å; L425-Q434 HydrophobicContact CD1-CB 4.41Å
426	L	92	Very high	88.4	Confident	6 Å²	6	64.2 Å²	64.2	3%	0.031	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	135	163	-58.7	177.5	0	0	0	108.2	F401 F402 S403 Q434 L435 Q437 R440	F401-L426 HydrophobicContact CB-CB 4.24Å; F401-L426 HydrophobicContact CD1-CB 3.88Å; F401-L426 HydrophobicContact CG-CB 4.19Å; F402-L426 CarbonylContact O-C 3.59Å; F402-L426 WeakPolarHBondContact O-CA 3.34Å; S403-L426 WeakPolarHBondContact OG-CD2 3.17Å; L426-Q434 CarbonylContact O-C 3.53Å; L426-Q434 VanDerWaalsContact O-CA 3.25Å; L426-Q434 WeakPolarHBondContact O-CA 3.49Å; L426-L435 HydrophobicContact CB-CD1 3.74Å; L426-L435 HydrophobicContact CB-CG 4.46Å; L426-L435 HydrophobicContact CD1-CD1 3.81Å; L426-L435 HydrophobicContact CG-CD1 4.2Å; L426-L435 PolarHBondContact N-O 3.15Å; L426-L435 PolarHBondContact O-N 2.94Å; L426-Q437 HydrophobicContact CD1-CG 4.5Å; L426-R440 HydrophobicContact CD1-CB 3.92Å; L426-R440 HydrophobicContact CD1-CG 4.07Å
427	R	90.5	Very high	88.7	Confident	59 Å²	59	63.3 Å²	63.3	22%	0.223	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	133.5	173.6	-173.5	173.9	-70.4	-178.9	-0.9	110.3	F401 F402 E410 L425 T433 Q434	F401-R427 WeakPolarHBondContact CA-O 3.48Å; F402-R427 HydrophobicContact CD1-CB 4.25Å; F402-R427 WeakPolarHBondContact CD1-O 3.24Å; F402-R427 HydrophobicContact CE1-CB 3.69Å; F402-R427 HydrophobicContact CE1-CG 3.93Å; F402-R427 HydrophobicContact CZ-CB 3.89Å; F402-R427 HydrophobicContact CZ-CG 4.22Å; F402-R427 PolarHBondContact N-O 2.87Å; F402-R427 PolarHBondContact O-N 2.89Å; E410-R427 IonicContact OE1-NH2 3.83Å; E410-R427 PolarHBondContact OE1-NH2 3.28Å; L425-R427 HydrophobicContact CD1-CB 3.7Å; R427-T433 CarbonylContact C-O 3.56Å; R427-T433 VanDerWaalsContact CA-O 3.29Å; R427-T433 WeakPolarHBondContact CA-O 3.09Å; R427-Q434 HydrophobicContact CB-CB 4.48Å; R427-Q434 HydrophobicContact CG-CB 4.42Å
428	C	88.6	Confident	88.8	Confident	2 Å²	2	63.2 Å²	63.2	1%	0.014	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	138.9	177.7	-176.9	0	0	0	0	110.8	H399 M400 F401 D430 R432 T433 C447	H399-C428 HydrophobicContact CB-CB 4.36Å; M400-C428 CarbonylContact O-C 3.53Å; M400-C428 VanDerWaalsContact O-CA 3.25Å; M400-C428 WeakPolarHBondContact O-CA 3.39Å; M400-C428 PolarHBondContact O-SG 2.67Å; F401-C428 HydrophobicContact CD1-CB 4.08Å; F401-C428 HydrophobicContact CE1-CB 3.94Å; C428-D430 PolarHBondContact SG-N 3.4Å; C428-R432 VanDerWaalsContact O-CA 3.24Å; C428-R432 WeakPolarHBondContact O-CA 3.42Å; C428-R432 PolarHBondContact O-N 2.8Å; C428-T433 HydrophobicContact CB-CG2 3.94Å; C428-T433 PolarHBondContact N-O 2.74Å; C428-C447 VanDerWaalsContact SG-SG 3.68Å
429	L	85.2	Confident	88.8	Confident	108 Å²	108	57.8 Å²	57.8	57%	0.565	28%	0.279	S	S	*	.	S	Bend	trans	-69	-37.3	176.2	-66.1	170.2	0	0	0	112.1	M400 F402	M400-L429 HydrophobicContact CB-CD1 4.28Å; M400-L429 PolarHBondContact O-N 2.84Å; F402-L429 HydrophobicContact CD1-CD2 3.46Å; F402-L429 VanDerWaalsContact CD1-CD2 3.46Å; F402-L429 HydrophobicContact CD1-CG 4.04Å; F402-L429 HydrophobicContact CE1-CD2 3.95Å; F402-L429 HydrophobicContact CG-CD2 4.26Å
430	D	80.1	Confident	88.8	Confident	41 Å²	41	64.3 Å²	64.3	22%	0.219	30%	0.304	C	S	.	.	S	Bend	trans	-84	-71	-175.7	-60.3	-71.2	0	0	0	112.6	K397 C428 R432 P449	K397-D430 WeakPolarHBondContact CE-OD2 3.32Å; K397-D430 IonicContact NZ-OD1 2.68Å; K397-D430 PolarHBondContact NZ-OD1 2.94Å; K397-D430 IonicContact NZ-OD2 3.71Å; K397-D430 PolarHBondContact NZ-OD2 2.91Å; C428-D430 PolarHBondContact SG-N 3.4Å; D430-R432 VanDerWaalsContact C-N 3.28Å; D430-R432 PolarHBondContact O-N 3.47Å; D430-P449 HydrophobicContact CB-CG 4.5Å
431	C	83	Confident	88.7	Confident	8 Å²	8	67 Å²	67	5%	0.054	32%	0.318	C	S	.	.	S	Bend	trans	-81.8	-4.1	-174.9	75.6	0	0	0	0	114.1	H399 T433 V448 R450	H399-C431 PolarHBondContact CE1-SG 2.99Å; H399-C431 PolarHBondContact ND1-SG 3.37Å; C431-T433 PolarHBondContact O-N 2.83Å; C431-T433 VanDerWaalsContact O-N 3.09Å; C431-T433 WeakPolarHBondContact SG-CG2 3.17Å; C431-T433 PolarHBondContact SG-N 2.88Å; C431-T433 VanDerWaalsContact SG-N 3.43Å; C431-V448 WeakPolarHBondContact CB-O 3.32Å; C431-R450 PolarHBondContact O-NE 3.14Å; C431-R450 PolarHBondContact O-NH2 2.97Å
432	R	84.6	Confident	88.5	Confident	131 Å²	131	65.8 Å²	65.8	49%	0.494	32%	0.318	S	S	.	.			trans	59.8	10.3	-176.6	-53.8	-177.5	179.7	-173.1	-1.1	116.1	C428 D430	C428-R432 VanDerWaalsContact O-CA 3.24Å; C428-R432 WeakPolarHBondContact O-CA 3.42Å; C428-R432 PolarHBondContact O-N 2.8Å; D430-R432 VanDerWaalsContact C-N 3.28Å; D430-R432 PolarHBondContact O-N 3.47Å
433	T	86.8	Confident	88.5	Confident	18 Å²	18	63.9 Å²	63.9	11%	0.11	30%	0.298	C	S	.	.			trans	-60.7	140.7	177.9	-166.6	0	0	0	0	110.9	F401 D413 R427 C428 C431	F401-T433 HydrophobicContact CE1-CG2 3.95Å; F401-T433 HydrophobicContact CZ-CG2 4.27Å; D413-T433 WeakPolarHBondContact CB-OG1 3.26Å; D413-T433 WeakPolarHBondContact OD2-CA 3.28Å; D413-T433 WeakPolarHBondContact OD2-CB 3.3Å; D413-T433 PolarHBondContact OD2-OG1 3.37Å; R427-T433 CarbonylContact C-O 3.56Å; R427-T433 VanDerWaalsContact CA-O 3.29Å; R427-T433 WeakPolarHBondContact CA-O 3.09Å; C428-T433 HydrophobicContact CB-CG2 3.94Å; C428-T433 PolarHBondContact N-O 2.74Å; C431-T433 PolarHBondContact O-N 2.83Å; C431-T433 VanDerWaalsContact O-N 3.09Å; C431-T433 WeakPolarHBondContact SG-CG2 3.17Å; C431-T433 PolarHBondContact SG-N 2.88Å; C431-T433 VanDerWaalsContact SG-N 3.43Å
434	Q	90.5	Very high	88.2	Confident	15 Å²	15	57.7 Å²	57.7	7%	0.07	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	138.7	-178.9	62.5	174.5	-2.6	0	0	112	E410 V411 D413 L425 L426 R427	E410-Q434 PolarHBondContact OE2-NE2 2.8Å; E410-Q434 PolarHBondContact OE2-OE1 2.95Å; V411-Q434 PolarHBondContact O-NE2 2.78Å; D413-Q434 WeakPolarHBondContact CB-O 3.43Å; D413-Q434 PolarHBondContact N-O 2.92Å; D413-Q434 PolarHBondContact OD2-N 3.23Å; L425-Q434 HydrophobicContact CD1-CB 4.41Å; L426-Q434 CarbonylContact O-C 3.53Å; L426-Q434 VanDerWaalsContact O-CA 3.25Å; L426-Q434 WeakPolarHBondContact O-CA 3.49Å; R427-Q434 HydrophobicContact CB-CB 4.48Å; R427-Q434 HydrophobicContact CG-CB 4.42Å
435	L	91.6	Very high	87.8	Confident	0 Å²	0	59.9 Å²	59.9	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	159.6	-173.2	51.8	82	0	0	0	113.2	F401 C412 V414 L426 C439 R440 A443	F401-L435 HydrophobicContact CE1-CD1 4.44Å; F401-L435 HydrophobicContact CE1-CD2 3.88Å; F401-L435 HydrophobicContact CE1-CG 4.11Å; F401-L435 HydrophobicContact CZ-CD2 3.7Å; F401-L435 HydrophobicContact CZ-CG 4.37Å; C412-L435 VanDerWaalsContact SG-CA 3.5Å; C412-L435 VanDerWaalsContact SG-CB 3.6Å; V414-L435 HydrophobicContact CG2-CB 4.01Å; V414-L435 HydrophobicContact CG2-CD2 3.7Å; L426-L435 HydrophobicContact CB-CD1 3.74Å; L426-L435 HydrophobicContact CB-CG 4.46Å; L426-L435 HydrophobicContact CD1-CD1 3.81Å; L426-L435 HydrophobicContact CG-CD1 4.2Å; L426-L435 PolarHBondContact N-O 3.15Å; L426-L435 PolarHBondContact O-N 2.94Å; L435-C439 HydrophobicContact CB-CB 4.03Å; L435-C439 HydrophobicContact CD1-CB 4.4Å; L435-R440 HydrophobicContact CD1-CB 4.27Å; L435-A443 HydrophobicContact CD2-CB 3.6Å
436	H	93.3	Very high	87.4	Confident	25 Å²	25	61.5 Å²	61.5	12%	0.116	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.5	151.5	167.9	-57.6	91.1	0	0	0	110.4	C412 C415 K417 K418 E438 C439	C412-H436 WeakPolarHBondContact CB-CE1 3.3Å; C412-H436 WeakPolarHBondContact CB-ND1 3.45Å; C412-H436 PolarHBondContact SG-ND1 3.26Å; C415-H436 PolarHBondContact SG-CE1 3.02Å; C415-H436 PolarHBondContact SG-ND1 3.43Å; K417-H436 PolarHBondContact O-CE1 3.16Å; K418-H436 PolarHBondContact O-NE2 2.83Å; K418-H436 VanDerWaalsContact O-NE2 3.16Å; H436-E438 HydrophobicContact CB-CG 4.04Å; H436-E438 WeakPolarHBondContact CB-OE2 3.27Å; H436-E438 PolarHBondContact O-N 2.83Å; H436-C439 HydrophobicContact CB-CB 4.25Å; H436-C439 WeakPolarHBondContact O-CB 3.4Å; H436-C439 PolarHBondContact O-N 3.14Å
437	Q	90.9	Very high	87	Confident	122 Å²	122	61.3 Å²	61.3	57%	0.57	29%	0.294	S	S	*	.	G	3₁₀ helix	trans	-57.2	-38.7	-179.5	-170.7	170.5	-10.5	0	0	112.4	L426 C439 R440	L426-Q437 HydrophobicContact CD1-CG 4.5Å; Q437-C439 VanDerWaalsContact C-N 3.31Å; Q437-C439 PolarHBondContact O-N 3.2Å; Q437-R440 WeakPolarHBondContact O-CB 3.38Å; Q437-R440 PolarHBondContact O-N 3.32Å
438	E	91.4	Very high	86.7	Confident	148 Å²	148	59 Å²	59	69%	0.692	29%	0.286	S	S	*	.	G	3₁₀ helix	trans	-68.4	-22	173.8	61.1	-91.7	-147.6	0	0	114.4	H436 R440	H436-E438 HydrophobicContact CB-CG 4.04Å; H436-E438 WeakPolarHBondContact CB-OE2 3.27Å; H436-E438 PolarHBondContact O-N 2.83Å; E438-R440 VanDerWaalsContact C-N 3.3Å; E438-R440 PolarHBondContact O-N 3.47Å
439	C	91.1	Very high	86.2	Confident	12 Å²	12	60.5 Å²	60.5	8%	0.081	30%	0.297	C	S	.	.	G	3₁₀ helix	trans	-83.2	-2	180	-72.4	0	0	0	0	113.7	V414 L435 H436 Q437 N441 N442 A443	V414-C439 HydrophobicContact CB-CB 4.06Å; V414-C439 HydrophobicContact CG1-CB 4.07Å; L435-C439 HydrophobicContact CB-CB 4.03Å; L435-C439 HydrophobicContact CD1-CB 4.4Å; H436-C439 HydrophobicContact CB-CB 4.25Å; H436-C439 WeakPolarHBondContact O-CB 3.4Å; H436-C439 PolarHBondContact O-N 3.14Å; Q437-C439 VanDerWaalsContact C-N 3.31Å; Q437-C439 PolarHBondContact O-N 3.2Å; C439-N441 VanDerWaalsContact C-N 3.3Å; C439-N441 PolarHBondContact O-N 3.27Å; C439-N442 PolarHBondContact O-N 2.9Å; C439-A443 PolarHBondContact O-N 3.43Å
440	R	90.2	Very high	85.7	Confident	136 Å²	136	57.8 Å²	57.8	51%	0.513	28%	0.279	S	S	.	.	G	3₁₀ helix	trans	-53.2	-42.2	-173.4	-176.6	178.6	179	154.3	0.1	113.8	F401 L426 L435 Q437 E438 N442 A443	F401-R440 HydrophobicContact CD2-CG 4.28Å; F401-R440 HydrophobicContact CE2-CG 4.19Å; L426-R440 HydrophobicContact CD1-CB 3.92Å; L426-R440 HydrophobicContact CD1-CG 4.07Å; L435-R440 HydrophobicContact CD1-CB 4.27Å; Q437-R440 WeakPolarHBondContact O-CB 3.38Å; Q437-R440 PolarHBondContact O-N 3.32Å; E438-R440 VanDerWaalsContact C-N 3.3Å; E438-R440 PolarHBondContact O-N 3.47Å; R440-N442 VanDerWaalsContact C-N 3.26Å; R440-N442 PolarHBondContact O-N 2.96Å; R440-A443 WeakPolarHBondContact O-CB 3.43Å; R440-A443 PolarHBondContact O-N 3.23Å
441	N	87.3	Confident	85.3	Confident	150 Å²	150	57.7 Å²	57.7	80%	0.802	28%	0.28	S	S	*	.	G	3₁₀ helix	trans	-75.5	-16.8	-176.3	-64.1	-10.7	0	0	0	112.9	C439	C439-N441 VanDerWaalsContact C-N 3.3Å; C439-N441 PolarHBondContact O-N 3.27Å
442	N	85.5	Confident	84	Confident	120 Å²	120	59.7 Å²	59.7	64%	0.642	29%	0.292	S	S	*	.	G	3₁₀ helix	trans	-98.1	6.9	178.8	-67.9	-25.4	0	0	0	112.4	V414 C439 R440 I444	V414-N442 HydrophobicContact CG1-CB 3.48Å; V414-N442 VanDerWaalsContact CG1-CB 3.48Å; V414-N442 WeakPolarHBondContact CG1-O 3.37Å; C439-N442 PolarHBondContact O-N 2.9Å; R440-N442 VanDerWaalsContact C-N 3.26Å; R440-N442 PolarHBondContact O-N 2.96Å; N442-I444 PolarHBondContact O-N 2.96Å
443	A	85.2	Confident	82.5	Confident	7 Å²	7	59.8 Å²	59.8	6%	0.058	30%	0.303	C	S	.	.			trans	-63.6	125.1	177.5	0	0	0	0	0	111.7	F401 L435 C439 R440 Q445	F401-A443 HydrophobicContact CE2-CB 4.45Å; F401-A443 HydrophobicContact CZ-CB 3.96Å; L435-A443 HydrophobicContact CD2-CB 3.6Å; C439-A443 PolarHBondContact O-N 3.43Å; R440-A443 WeakPolarHBondContact O-CB 3.43Å; R440-A443 PolarHBondContact O-N 3.23Å; A443-Q445 PolarHBondContact O-N 3.24Å; A443-Q445 PolarHBondContact O-NE2 2.93Å
444	I	84.9	Confident	80.9	Confident	46 Å²	46	61.3 Å²	61.3	24%	0.236	31%	0.314	C	S	.	.			trans	-51.9	130.7	-178.9	-63.3	169	0	0	0	110.5	H399 N442 V516	H399-I444 PolarHBondContact NE2-O 2.61Å; N442-I444 PolarHBondContact O-N 2.96Å; I444-V516 HydrophobicContact CD1-CB 3.97Å; I444-V516 HydrophobicContact CD1-CG1 4.16Å; I444-V516 WeakPolarHBondContact CD1-O 3.47Å; I444-V516 HydrophobicContact CG2-CG1 4.17Å
445	Q	79.7	Confident	79.4	Confident	102 Å²	102	69.3 Å²	69.3	48%	0.477	35%	0.349	S	S	.	.	S	Bend	trans	-110.7	154.5	176.8	-63.2	-52	-64.2	0	0	110.4	H399 A443	H399-Q445 PolarHBondContact CD2-NE2 3.12Å; H399-Q445 PolarHBondContact NE2-NE2 3.24Å; A443-Q445 PolarHBondContact O-N 3.24Å; A443-Q445 PolarHBondContact O-NE2 2.93Å
446	P	82.7	Confident	78	Confident	36 Å²	36	76 Å²	76	23%	0.234	38%	0.384	C	S	.	.	S	Bend	cis	-73	171.5	-8.1	30.5	-34.1	0	0	0	113	P395 V448 V477 H478	P395-P446 WeakPolarHBondContact O-CB 3.37Å; P446-V448 HydrophobicContact CG-CG2 3.94Å; P446-V448 PolarHBondContact O-N 3.41Å; P446-V477 HydrophobicContact CG-CG1 4.31Å; P446-H478 PolarHBondContact O-CE1 2.83Å; P446-H478 VanDerWaalsContact O-CE1 3.28Å
447	C	84.9	Confident	76.9	Confident	1 Å²	1	76.3 Å²	76.3	1%	0.007	39%	0.389	C	S	.	.			trans	-76.5	105.6	169	-175.6	0	0	0	0	110.4	K397 H399 C428	K397-C447 HydrophobicContact CB-CB 4.36Å; K397-C447 HydrophobicContact CG-CB 4.4Å; K397-C447 WeakPolarHBondContact O-CB 3.35Å; K397-C447 PolarHBondContact O-N 2.75Å; H399-C447 WeakPolarHBondContact ND1-CB 3.35Å; H399-C447 PolarHBondContact ND1-SG 3.02Å; C428-C447 VanDerWaalsContact SG-SG 3.68Å
448	V	82.6	Confident	76.1	Confident	10 Å²	10	78.7 Å²	78.7	6%	0.061	40%	0.397	C	S	.	.			trans	-109.9	122.1	177.3	-167.8	0	0	0	0	109.9	C431 P446 H474 V477	C431-V448 WeakPolarHBondContact CB-O 3.32Å; P446-V448 HydrophobicContact CG-CG2 3.94Å; P446-V448 PolarHBondContact O-N 3.41Å; V448-H474 HydrophobicContact CB-CB 4.13Å; V448-H474 HydrophobicContact CG1-CB 3.77Å; V448-V477 HydrophobicContact CG1-CB 4.45Å; V448-V477 HydrophobicContact CG1-CG2 4.31Å; V448-V477 HydrophobicContact CG2-CB 4.12Å; V448-V477 HydrophobicContact CG2-CG1 3.68Å
449	P	77.8	Confident	75.8	Confident	35 Å²	35	72.2 Å²	72.2	23%	0.227	37%	0.37	C	S	.	.	P	Polyproline II helix	trans	-60.1	138.1	175	-20.5	31.7	0	0	0	111.5	D430 P466	D430-P449 HydrophobicContact CB-CG 4.5Å; P449-P466 HydrophobicContact CB-CB 4.06Å
450	R	76.5	Confident	75.7	Confident	51 Å²	51	74.9 Å²	74.9	19%	0.192	38%	0.38	C	S	.	.	P	Polyproline II helix	trans	-97.8	151.5	176.1	-70.3	-174.9	-77.1	174.6	-6.8	110.3	C431 H474 R514	C431-R450 PolarHBondContact O-NE 3.14Å; C431-R450 PolarHBondContact O-NH2 2.97Å; R450-H474 HydrophobicContact CG-CB 4.41Å; R450-R514 PolarHBondContact NH1-O 2.91Å
451	T	71.1	Confident	75.7	Confident	39 Å²	39	69 Å²	69	24%	0.239	36%	0.359	C	S	.	.	P	Polyproline II helix	trans	-56.4	123.4	175.8	-43.3	0	0	0	0	110.8	N453 Y464 V465	T451-N453 PolarHBondContact O-N 3.44Å; T451-Y464 VanDerWaalsContact OG1-CA 3.32Å; T451-Y464 WeakPolarHBondContact OG1-CA 3.36Å; T451-Y464 PolarHBondContact OG1-O 2.84Å; T451-V465 WeakPolarHBondContact CB-O 3.35Å; T451-V465 WeakPolarHBondContact CG2-O 3.2Å; T451-V465 PolarHBondContact OG1-N 3.39Å; T451-V465 PolarHBondContact OG1-O 2.88Å
452	P	55.2	Low	75.8	Confident	49 Å²	49	65.9 Å²	65.9	32%	0.318	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73	117.8	178.7	27.5	-31.4	0	0	0	110.9	T467	P452-T467 HydrophobicContact CG-CG2 3.51Å
453	N	53.3	Low	75.9	Confident	134 Å²	134	61.8 Å²	61.8	72%	0.717	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.6	47.7	169.8	-83.7	-2.4	0	0	0	117.6	T451 K455	T451-N453 PolarHBondContact O-N 3.44Å; N453-K455 VanDerWaalsContact C-N 3.3Å; N453-K455 PolarHBondContact O-N 2.66Å
454	S	54	Low	76.1	Confident	49 Å²	49	63 Å²	63	34%	0.343	33%	0.326	S	S	.	.			trans	-79.9	77.9	159.8	-153.8	0	0	0	0	110.9	N456 P457	S454-N456 PolarHBondContact O-N 2.68Å; S454-P457 VanDerWaalsContact OG-CA 3.29Å; S454-P457 WeakPolarHBondContact OG-CA 3.32Å; S454-P457 WeakPolarHBondContact OG-CB 3.22Å
455	K	57.3	Low	76.2	Confident	183 Å²	183	61.1 Å²	61.1	80%	0.796	32%	0.317	S	S	*	.	S	Bend	trans	-70.7	-7.9	179.5	-87	-167.5	176.7	-176	0	114.5	N453	N453-K455 VanDerWaalsContact C-N 3.3Å; N453-K455 PolarHBondContact O-N 2.66Å
456	N	64.3	Low	76.4	Confident	140 Å²	140	56.6 Å²	56.6	75%	0.749	30%	0.297	S	S	*	.	S	Bend	trans	-168.2	97.4	165	-89.5	-30.2	0	0	0	105.9	S454	S454-N456 PolarHBondContact O-N 2.68Å
457	P	68.8	Low	76.2	Confident	32 Å²	32	59.7 Å²	59.7	21%	0.208	32%	0.315	C	S	.	.			trans	-61.7	140.3	176.8	25	-32.8	0	0	0	110	S454 G459 D463 Y464	S454-P457 VanDerWaalsContact OG-CA 3.29Å; S454-P457 WeakPolarHBondContact OG-CA 3.32Å; S454-P457 WeakPolarHBondContact OG-CB 3.22Å; P457-G459 PolarHBondContact O-N 3.01Å; P457-D463 HydrophobicContact CB-CB 3.83Å; P457-Y464 HydrophobicContact CB-CE1 3.6Å; P457-Y464 HydrophobicContact CG-CE1 3.85Å
458	K	75.2	Confident	75.5	Confident	172 Å²	172	63.6 Å²	63.6	75%	0.748	34%	0.339	S	S	*	.			trans	-89.8	15.2	-179.8	-64.5	-178.6	178.7	178.3	0	112.2	K460 D463	K458-K460 VanDerWaalsContact C-N 3.28Å; K458-K460 PolarHBondContact O-N 3.36Å; K458-D463 WeakPolarHBondContact CA-OD2 3.26Å; K458-D463 PolarHBondContact N-OD2 3.15Å
459	G	84.2	Confident	74.7	Confident	12 Å²	12	66.2 Å²	66.2	12%	0.124	35%	0.351	C	S	.	.	S	Bend	trans	75.2	5.7	-177.2	0	0	0	0	0	114.6	P457 D463 L539 K540	P457-G459 PolarHBondContact O-N 3.01Å; G459-D463 PolarHBondContact N-OD2 3.35Å; G459-L539 CarbonylContact O-C 3.52Å; G459-L539 WeakPolarHBondContact O-CA 3.48Å; G459-K540 PolarHBondContact O-N 3.33Å
460	K	88.8	Confident	74.4	Confident	68 Å²	68	66.7 Å²	66.7	30%	0.296	35%	0.354	S	S	.	.			trans	-84	146.4	176.5	-70.9	-165.7	169.9	-111.7	0	110.1	K458 V462 D463 Y464 E541	K458-K460 VanDerWaalsContact C-N 3.28Å; K458-K460 PolarHBondContact O-N 3.36Å; K460-V462 HydrophobicContact CB-CG1 4.01Å; K460-V462 PolarHBondContact O-N 3.42Å; K460-V462 VanDerWaalsContact O-N 3.15Å; K460-D463 PolarHBondContact N-OD2 3.46Å; K460-D463 VanDerWaalsContact O-CB 3.24Å; K460-D463 WeakPolarHBondContact O-CB 3.45Å; K460-D463 PolarHBondContact O-N 2.61Å; K460-Y464 VanDerWaalsContact O-CD2 3.28Å; K460-Y464 WeakPolarHBondContact O-CD2 3.24Å; K460-Y464 WeakPolarHBondContact O-CE2 3.15Å; K460-E541 IonicContact NZ-OE1 2.64Å; K460-E541 PolarHBondContact NZ-OE1 3.44Å; K460-E541 IonicContact NZ-OE2 2.95Å; K460-E541 PolarHBondContact NZ-OE2 3.04Å
461	L	90.9	Very high	74.7	Confident	13 Å²	13	66.9 Å²	66.9	7%	0.068	36%	0.355	C	S	.	.	G	3₁₀ helix	trans	-53.4	-38.9	179.3	-178.2	58.5	0	0	0	112.8	D463 Y464 V465 P473 F535 L539 L543 P579	L461-D463 PolarHBondContact O-N 3.02Å; L461-D463 VanDerWaalsContact O-N 3.15Å; L461-Y464 PolarHBondContact O-N 2.86Å; L461-V465 HydrophobicContact CG-CG1 4.45Å; L461-P473 HydrophobicContact CD1-CG 3.55Å; L461-F535 HydrophobicContact CD1-CE1 4.49Å; L461-F535 HydrophobicContact CD1-CZ 4.41Å; L461-L539 HydrophobicContact CB-CD1 4.33Å; L461-L539 HydrophobicContact CD1-CD1 4.2Å; L461-L543 HydrophobicContact CD2-CD1 3.65Å; L461-P579 HydrophobicContact CD2-CB 4.17Å; L461-P579 WeakPolarHBondContact CD2-O 3.4Å; L461-P579 HydrophobicContact CG-CB 4.19Å
462	V	88.3	Confident	75.5	Confident	84 Å²	84	65.2 Å²	65.2	51%	0.509	35%	0.345	S	S	.	.	G	3₁₀ helix	trans	-59.9	-21.3	176.8	71.2	0	0	0	0	113.9	K460 Y464 V465	K460-V462 HydrophobicContact CB-CG1 4.01Å; K460-V462 PolarHBondContact O-N 3.42Å; K460-V462 VanDerWaalsContact O-N 3.15Å; V462-Y464 PolarHBondContact O-N 2.79Å; V462-V465 HydrophobicContact CG2-CG2 4.42Å
463	D	88.1	Confident	77.3	Confident	34 Å²	34	62.9 Å²	62.9	18%	0.182	33%	0.33	C	S	.	.	G	3₁₀ helix	trans	-74	-8.4	176.9	-56.5	-35.7	0	0	0	112.9	P457 K458 G459 K460 L461	P457-D463 HydrophobicContact CB-CB 3.83Å; K458-D463 WeakPolarHBondContact CA-OD2 3.26Å; K458-D463 PolarHBondContact N-OD2 3.15Å; G459-D463 PolarHBondContact N-OD2 3.35Å; K460-D463 PolarHBondContact N-OD2 3.46Å; K460-D463 VanDerWaalsContact O-CB 3.24Å; K460-D463 WeakPolarHBondContact O-CB 3.45Å; K460-D463 PolarHBondContact O-N 2.61Å; L461-D463 PolarHBondContact O-N 3.02Å; L461-D463 VanDerWaalsContact O-N 3.15Å
464	Y	89.7	Confident	79	Confident	32 Å²	32	57.6 Å²	57.6	13%	0.125	30%	0.3	C	S	.	.	S	Bend	trans	-123.9	-4.5	-171.9	-53.2	-69.6	0	0	0	115.3	T451 P457 K460 L461 V462 P473 L511 F535 L539	T451-Y464 VanDerWaalsContact OG1-CA 3.32Å; T451-Y464 WeakPolarHBondContact OG1-CA 3.36Å; T451-Y464 PolarHBondContact OG1-O 2.84Å; P457-Y464 HydrophobicContact CB-CE1 3.6Å; P457-Y464 HydrophobicContact CG-CE1 3.85Å; K460-Y464 VanDerWaalsContact O-CD2 3.28Å; K460-Y464 WeakPolarHBondContact O-CD2 3.24Å; K460-Y464 WeakPolarHBondContact O-CE2 3.15Å; L461-Y464 PolarHBondContact O-N 2.86Å; V462-Y464 PolarHBondContact O-N 2.79Å; Y464-P473 WeakPolarHBondContact O-CA 3.34Å; Y464-P473 WeakPolarHBondContact O-CB 3.2Å; Y464-L511 HydrophobicContact CD1-CD2 4.09Å; Y464-L511 HydrophobicContact CE1-CD2 3.57Å; Y464-F535 HydrophobicContact CD1-CE2 4.37Å; Y464-F535 AromaticContact CD2-CE2 3.91Å; Y464-F535 HydrophobicContact CD2-CE2 3.91Å; Y464-F535 HydrophobicContact CD2-CZ 4.04Å; Y464-F535 HydrophobicContact CE2-CE2 4.25Å; Y464-F535 AromaticContact CG-CE2 3.97Å; Y464-F535 HydrophobicContact CG-CE2 3.97Å; Y464-F535 HydrophobicContact CG-CZ 4.15Å; Y464-L539 HydrophobicContact CD2-CD2 4.04Å; Y464-L539 HydrophobicContact CE2-CD2 3.85Å
465	V	87.8	Confident	80.9	Confident	7 Å²	7	55.4 Å²	55.4	4%	0.042	29%	0.285	C	S	.	.	S	Bend	trans	-91.3	156	-179.3	-61	0	0	0	0	112.8	T451 L461 V462 Y471 P473 P579	T451-V465 WeakPolarHBondContact CB-O 3.35Å; T451-V465 WeakPolarHBondContact CG2-O 3.2Å; T451-V465 PolarHBondContact OG1-N 3.39Å; T451-V465 PolarHBondContact OG1-O 2.88Å; L461-V465 HydrophobicContact CG-CG1 4.45Å; V462-V465 HydrophobicContact CG2-CG2 4.42Å; V465-Y471 WeakPolarHBondContact CG1-O 3.17Å; V465-Y471 HydrophobicContact CG2-CD1 4.34Å; V465-P473 HydrophobicContact CG1-CG 3.91Å; V465-P579 HydrophobicContact CG1-CB 4.07Å; V465-P579 HydrophobicContact CG2-CB 4.47Å; V465-P579 HydrophobicContact CG2-CG 4.43Å
466	P	83.7	Confident	82.7	Confident	8 Å²	8	46.7 Å²	46.7	5%	0.052	25%	0.247	C	C	.	.			trans	-63.8	163.8	168.9	29	-37.8	0	0	0	112.2	P449 T468 P470 Y471 V472	P449-P466 HydrophobicContact CB-CB 4.06Å; P466-T468 WeakPolarHBondContact CG-O 3.34Å; P466-T468 PolarHBondContact O-N 2.74Å; P466-P470 VanDerWaalsContact CG-O 3.26Å; P466-P470 WeakPolarHBondContact CG-O 3.35Å; P466-Y471 WeakPolarHBondContact O-CD1 3.4Å; P466-V472 VanDerWaalsContact CD-O 3.25Å; P466-V472 WeakPolarHBondContact CD-O 3.29Å
467	T	78.7	Confident	83.9	Confident	101 Å²	101	40.6 Å²	40.6	62%	0.62	22%	0.215	S	C	*	.	S	Bend	trans	-77.6	-6.7	174.8	44	0	0	0	0	114.2	P452	P452-T467 HydrophobicContact CG-CG2 3.51Å
468	T	70	Confident	85.1	Confident	82 Å²	82	39.7 Å²	39.7	50%	0.503	21%	0.208	S	C	.	.	S	Bend	trans	-126.2	144	-176.5	53.4	0	0	0	0	109.5	P466	P466-T468 WeakPolarHBondContact CG-O 3.34Å; P466-T468 PolarHBondContact O-N 2.74Å
469	E	64.5	Low	86	Confident	66 Å²	66	31.5 Å²	31.5	31%	0.308	17%	0.172	S	C	.	.	S	Bend	trans	-51.6	143.4	168.7	-69.6	174.4	165	0	0	110.1	R388 Y471 R999	R388-E469 IonicContact NH1-OE2 3.73Å; E469-Y471 HydrophobicContact CB-CE2 4.37Å; E469-Y471 HydrophobicContact CG-CD2 3.77Å; E469-Y471 HydrophobicContact CG-CE2 3.26Å; E469-R999 IonicContact OE1-CZ 2.7Å; E469-R999 IonicContact OE1-NH1 3.41Å; E469-R999 PolarHBondContact OE1-NH1 3.28Å; E469-R999 IonicContact OE1-NH2 2.82Å; E469-R999 PolarHBondContact OE1-NH2 3.27Å; E469-R999 IonicContact OE2-NH2 3.34Å; E469-R999 PolarHBondContact OE2-NH2 2.76Å
470	P	71.8	Confident	86.5	Confident	44 Å²	44	31.1 Å²	31.1	29%	0.286	17%	0.167	S	C	.	.	S	Bend	cis	-77	137.1	-3.6	34.3	-37.1	0	0	0	112.1	V392 P466 V472	V392-P470 HydrophobicContact CB-CB 4.34Å; V392-P470 HydrophobicContact CG1-CB 3.65Å; V392-P470 HydrophobicContact CG1-CG 3.58Å; V392-P470 HydrophobicContact CG2-CB 3.69Å; P466-P470 VanDerWaalsContact CG-O 3.26Å; P466-P470 WeakPolarHBondContact CG-O 3.35Å; P470-V472 HydrophobicContact CB-CG2 4.3Å; P470-V472 PolarHBondContact O-N 3.06Å
471	Y	83.8	Confident	86.6	Confident	55 Å²	55	29.8 Å²	29.8	22%	0.216	17%	0.173	C	C	.	.			trans	-80.1	53.4	-175.4	-64.2	-69	0	0	0	113.3	V465 P466 E469 L578 D582 T583	V465-Y471 WeakPolarHBondContact CG1-O 3.17Å; V465-Y471 HydrophobicContact CG2-CD1 4.34Å; P466-Y471 WeakPolarHBondContact O-CD1 3.4Å; E469-Y471 HydrophobicContact CB-CE2 4.37Å; E469-Y471 HydrophobicContact CG-CD2 3.77Å; E469-Y471 HydrophobicContact CG-CE2 3.26Å; Y471-L578 HydrophobicContact CD2-CB 3.8Å; Y471-L578 HydrophobicContact CE2-CB 4.12Å; Y471-L578 HydrophobicContact CE2-CD1 3.99Å; Y471-D582 WeakPolarHBondContact CD2-OD2 3.29Å; Y471-D582 PolarHBondContact N-OD2 3.39Å; Y471-T583 PolarHBondContact O-OG1 3.46Å
472	V	87.6	Confident	86.7	Confident	5 Å²	5	30 Å²	30	3%	0.03	17%	0.174	C	C	.	.			trans	-104.4	129.6	-179	-172.8	0	0	0	0	110.6	P466 P470 H474 V476 V477 D582 F586	P466-V472 VanDerWaalsContact CD-O 3.25Å; P466-V472 WeakPolarHBondContact CD-O 3.29Å; P470-V472 HydrophobicContact CB-CG2 4.3Å; P470-V472 PolarHBondContact O-N 3.06Å; V472-H474 PolarHBondContact O-N 2.89Å; V472-V476 HydrophobicContact CG1-CB 4.15Å; V472-V476 HydrophobicContact CG1-CG1 4.06Å; V472-V477 HydrophobicContact CB-CG2 4.12Å; V472-V477 HydrophobicContact CG1-CG2 3.68Å; V472-D582 HydrophobicContact CG2-CB 4.18Å; V472-F586 HydrophobicContact CG1-CB 4.19Å; V472-F586 HydrophobicContact CG1-CD1 3.98Å; V472-F586 HydrophobicContact CG1-CG 4.01Å; V472-F586 HydrophobicContact CG2-CB 4.04Å; V472-F586 HydrophobicContact CG2-CG 4.33Å
473	P	92.2	Very high	87.1	Confident	0 Å²	0	26 Å²	26	0%	0	15%	0.149	C	C	.	.			trans	-60.8	136.2	177.6	-24.5	33.5	0	0	0	112.9	L461 Y464 V465 I475 V476 V477 F535 T583	L461-P473 HydrophobicContact CD1-CG 3.55Å; Y464-P473 WeakPolarHBondContact O-CA 3.34Å; Y464-P473 WeakPolarHBondContact O-CB 3.2Å; V465-P473 HydrophobicContact CG1-CG 3.91Å; P473-I475 HydrophobicContact CB-CG2 3.83Å; P473-I475 PolarHBondContact O-N 3.47Å; P473-I475 VanDerWaalsContact O-N 3.15Å; P473-V476 HydrophobicContact CB-CG2 4.12Å; P473-V476 HydrophobicContact CG-CG2 4.27Å; P473-V476 WeakPolarHBondContact O-CB 3.31Å; P473-V476 PolarHBondContact O-N 3.05Å; P473-V477 PolarHBondContact O-N 2.58Å; P473-F535 HydrophobicContact CB-CE1 4.25Å; P473-F535 HydrophobicContact CB-CZ 3.98Å; P473-F535 HydrophobicContact CG-CE1 4.1Å; P473-F535 HydrophobicContact CG-CZ 3.95Å; P473-T583 WeakPolarHBondContact CD-OG1 3.33Å
474	H	90	Very high	87.3	Confident	22 Å²	22	26.8 Å²	26.8	10%	0.102	15%	0.152	C	C	.	.	H	α-helix	trans	-57.8	-32.6	-179.2	77.1	-68	0	0	0	113.7	V448 R450 V472 V476 V477 H478 F510	V448-H474 HydrophobicContact CB-CB 4.13Å; V448-H474 HydrophobicContact CG1-CB 3.77Å; R450-H474 HydrophobicContact CG-CB 4.41Å; V472-H474 PolarHBondContact O-N 2.89Å; H474-V476 VanDerWaalsContact C-N 3.35Å; H474-V476 PolarHBondContact O-N 3.47Å; H474-V477 PolarHBondContact O-N 2.67Å; H474-H478 WeakPolarHBondContact O-CB 3.28Å; H474-H478 PolarHBondContact O-CD2 3.38Å; H474-H478 PolarHBondContact O-N 2.81Å; H474-F510 AromaticContact NE2-CD1 3.96Å
475	I	93.3	Very high	87.4	Confident	3 Å²	3	32.3 Å²	32.3	2%	0.015	17%	0.172	C	C	.	.	H	α-helix	trans	-58	-44.7	172.3	-179	174.5	0	0	0	111.8	P473 L479 L507 F510 F535	P473-I475 HydrophobicContact CB-CG2 3.83Å; P473-I475 PolarHBondContact O-N 3.47Å; P473-I475 VanDerWaalsContact O-N 3.15Å; I475-L479 HydrophobicContact CD1-CD1 4.26Å; I475-L479 HydrophobicContact CG1-CD1 3.67Å; I475-L479 HydrophobicContact CG1-CG 4.27Å; I475-L479 VanDerWaalsContact O-CB 3.3Å; I475-L479 WeakPolarHBondContact O-CB 3.39Å; I475-L479 VanDerWaalsContact O-CG 3.27Å; I475-L479 WeakPolarHBondContact O-CG 3.27Å; I475-L479 PolarHBondContact O-N 3.34Å; I475-L507 HydrophobicContact CD1-CD1 3.54Å; I475-F510 HydrophobicContact CB-CB 4.39Å; I475-F510 HydrophobicContact CB-CD1 3.77Å; I475-F510 HydrophobicContact CB-CE1 4.12Å; I475-F510 HydrophobicContact CB-CG 4.09Å; I475-F510 HydrophobicContact CD1-CB 3.68Å; I475-F510 HydrophobicContact CD1-CD1 4.38Å; I475-F510 HydrophobicContact CD1-CD2 3.98Å; I475-F510 HydrophobicContact CD1-CG 3.79Å; I475-F510 HydrophobicContact CG1-CB 4.07Å; I475-F510 HydrophobicContact CG1-CD1 3.8Å; I475-F510 HydrophobicContact CG1-CD2 3.87Å; I475-F510 HydrophobicContact CG1-CE1 4.1Å; I475-F510 HydrophobicContact CG1-CE2 4.16Å; I475-F510 HydrophobicContact CG1-CG 3.67Å; I475-F510 HydrophobicContact CG1-CZ 4.27Å; I475-F535 HydrophobicContact CD1-CB 4.06Å; I475-F535 HydrophobicContact CD1-CD2 3.94Å; I475-F535 HydrophobicContact CD1-CG 4.05Å; I475-F535 HydrophobicContact CG2-CD1 4.17Å; I475-F535 HydrophobicContact CG2-CD2 3.94Å; I475-F535 HydrophobicContact CG2-CE1 4Å; I475-F535 HydrophobicContact CG2-CE2 3.76Å; I475-F535 HydrophobicContact CG2-CG 4.14Å; I475-F535 HydrophobicContact CG2-CZ 3.79Å
476	V	94.4	Very high	87.7	Confident	0 Å²	0	35 Å²	35	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-64.2	-48.2	178.1	175.9	0	0	0	0	110	V472 P473 H474 H478 I480 L532 F535 F536 T583 F586	V472-V476 HydrophobicContact CG1-CB 4.15Å; V472-V476 HydrophobicContact CG1-CG1 4.06Å; P473-V476 HydrophobicContact CB-CG2 4.12Å; P473-V476 HydrophobicContact CG-CG2 4.27Å; P473-V476 WeakPolarHBondContact O-CB 3.31Å; P473-V476 PolarHBondContact O-N 3.05Å; H474-V476 VanDerWaalsContact C-N 3.35Å; H474-V476 PolarHBondContact O-N 3.47Å; V476-H478 PolarHBondContact O-N 2.97Å; V476-I480 HydrophobicContact CG1-CD1 3.72Å; V476-I480 VanDerWaalsContact O-CB 3.29Å; V476-I480 WeakPolarHBondContact O-CB 3.42Å; V476-I480 WeakPolarHBondContact O-CG1 3.48Å; V476-I480 PolarHBondContact O-N 2.75Å; V476-L532 HydrophobicContact CB-CD1 4.32Å; V476-L532 HydrophobicContact CG1-CD1 4.25Å; V476-L532 HydrophobicContact CG2-CD1 4.08Å; V476-F535 HydrophobicContact CG2-CD1 3.89Å; V476-F535 HydrophobicContact CG2-CE1 3.67Å; V476-F536 HydrophobicContact CG1-CZ 4.37Å; V476-F536 HydrophobicContact CG2-CE1 4.32Å; V476-F536 HydrophobicContact CG2-CE2 4.37Å; V476-F536 HydrophobicContact CG2-CZ 3.75Å; V476-T583 HydrophobicContact CG2-CG2 4.36Å; V476-F586 HydrophobicContact CG1-CD1 3.84Å; V476-F586 HydrophobicContact CG1-CE1 4.19Å
477	V	90.8	Very high	88	Confident	12 Å²	12	34.7 Å²	34.7	7%	0.073	18%	0.179	C	C	.	.	H	α-helix	trans	-60.8	-45.3	-179.6	-177	0	0	0	0	112.1	P446 V448 V472 P473 H474 G481 F586	P446-V477 HydrophobicContact CG-CG1 4.31Å; V448-V477 HydrophobicContact CG1-CB 4.45Å; V448-V477 HydrophobicContact CG1-CG2 4.31Å; V448-V477 HydrophobicContact CG2-CB 4.12Å; V448-V477 HydrophobicContact CG2-CG1 3.68Å; V472-V477 HydrophobicContact CB-CG2 4.12Å; V472-V477 HydrophobicContact CG1-CG2 3.68Å; P473-V477 PolarHBondContact O-N 2.58Å; H474-V477 PolarHBondContact O-N 2.67Å; V477-G481 PolarHBondContact O-N 2.92Å; V477-F586 HydrophobicContact CB-CZ 4.36Å; V477-F586 HydrophobicContact CG1-CZ 4.21Å; V477-F586 HydrophobicContact CG2-CE1 4.3Å; V477-F586 HydrophobicContact CG2-CZ 4.16Å
478	H	92.6	Very high	88.7	Confident	14 Å²	14	31 Å²	31	7%	0.065	16%	0.156	C	C	.	.	H	α-helix	trans	-73.1	-41.1	-178.8	-74.3	-64.4	0	0	0	113.1	P446 H474 V476 E482 F510 V516 L519	P446-H478 PolarHBondContact O-CE1 2.83Å; P446-H478 VanDerWaalsContact O-CE1 3.28Å; H474-H478 WeakPolarHBondContact O-CB 3.28Å; H474-H478 PolarHBondContact O-CD2 3.38Å; H474-H478 PolarHBondContact O-N 2.81Å; V476-H478 PolarHBondContact O-N 2.97Å; H478-E482 PolarHBondContact O-N 3.06Å; H478-E482 VanDerWaalsContact O-N 3.12Å; H478-F510 HydrophobicContact CB-CE1 4.26Å; H478-F510 HydrophobicContact CB-CZ 4.24Å; H478-V516 HydrophobicContact CB-CG1 4.26Å; H478-L519 HydrophobicContact CB-CD1 4.2Å; H478-L519 VanDerWaalsContact O-CD1 3.31Å; H478-L519 WeakPolarHBondContact O-CD1 3.22Å
479	L	95.7	Very high	89.8	Confident	0 Å²	0	31.9 Å²	31.9	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-64	-49.7	176.5	-73.3	174.4	0	0	0	111.2	I475 G481 E482 I483 L506 F510 L519 L528 C531 L532	I475-L479 HydrophobicContact CD1-CD1 4.26Å; I475-L479 HydrophobicContact CG1-CD1 3.67Å; I475-L479 HydrophobicContact CG1-CG 4.27Å; I475-L479 VanDerWaalsContact O-CB 3.3Å; I475-L479 WeakPolarHBondContact O-CB 3.39Å; I475-L479 VanDerWaalsContact O-CG 3.27Å; I475-L479 WeakPolarHBondContact O-CG 3.27Å; I475-L479 PolarHBondContact O-N 3.34Å; L479-G481 PolarHBondContact O-N 3.34Å; L479-E482 PolarHBondContact O-N 3.37Å; L479-I483 WeakPolarHBondContact O-CB 3.32Å; L479-I483 WeakPolarHBondContact O-CD1 3.5Å; L479-I483 WeakPolarHBondContact O-CG1 3.32Å; L479-I483 PolarHBondContact O-N 3.35Å; L479-L506 HydrophobicContact CD2-CD2 4.33Å; L479-F510 HydrophobicContact CD1-CE2 4.46Å; L479-F510 HydrophobicContact CD2-CE2 3.87Å; L479-F510 HydrophobicContact CD2-CZ 4.28Å; L479-F510 HydrophobicContact CG-CE2 4.02Å; L479-F510 HydrophobicContact CG-CZ 4.15Å; L479-L519 HydrophobicContact CD2-CD1 4.18Å; L479-L519 HydrophobicContact CD2-CD2 4.27Å; L479-L528 HydrophobicContact CD2-CB 4.35Å; L479-L528 HydrophobicContact CD2-CD2 3.93Å; L479-C531 HydrophobicContact CD1-CB 4.11Å; L479-C531 HydrophobicContact CD2-CB 4.41Å; L479-L532 HydrophobicContact CB-CD1 4.36Å; L479-L532 HydrophobicContact CD1-CB 3.98Å; L479-L532 HydrophobicContact CD1-CD1 4.17Å
480	I	94.8	Very high	91.2	Very high	3 Å²	3	32.5 Å²	32.5	2%	0.015	16%	0.158	C	C	.	.	H	α-helix	trans	-61.1	-45.2	178.2	-76.1	176.8	0	0	0	110.9	V476 E482 I483 E484 L532 F586 L587 H590	V476-I480 HydrophobicContact CG1-CD1 3.72Å; V476-I480 VanDerWaalsContact O-CB 3.29Å; V476-I480 WeakPolarHBondContact O-CB 3.42Å; V476-I480 WeakPolarHBondContact O-CG1 3.48Å; V476-I480 PolarHBondContact O-N 2.75Å; I480-E482 VanDerWaalsContact C-N 3.28Å; I480-E482 PolarHBondContact O-N 3.05Å; I480-I483 PolarHBondContact O-N 3.24Å; I480-E484 HydrophobicContact CG2-CG 4.26Å; I480-E484 WeakPolarHBondContact CG2-OE1 3.4Å; I480-E484 WeakPolarHBondContact O-CB 3.23Å; I480-E484 WeakPolarHBondContact O-CG 3.44Å; I480-E484 PolarHBondContact O-N 3.36Å; I480-L532 HydrophobicContact CD1-CD2 4.14Å; I480-L532 HydrophobicContact CG1-CD2 3.76Å; I480-F586 HydrophobicContact CB-CE1 4Å; I480-F586 HydrophobicContact CD1-CD1 3.82Å; I480-F586 HydrophobicContact CD1-CE1 3.8Å; I480-F586 HydrophobicContact CG1-CE1 4.45Å; I480-F586 HydrophobicContact CG2-CE1 3.88Å; I480-F586 HydrophobicContact CG2-CZ 4.35Å; I480-L587 HydrophobicContact CD1-CD1 4.23Å; I480-H590 HydrophobicContact CD1-CB 3.92Å; I480-H590 HydrophobicContact CG1-CB 4.34Å; I480-H590 HydrophobicContact CG2-CB 3.85Å
481	G	89.6	Confident	92.3	Very high	40 Å²	40	34.7 Å²	34.7	41%	0.412	17%	0.17	S	C	.	.	H	α-helix	trans	-59.3	-35.8	178.3	0	0	0	0	0	113.8	V477 L479 R485	V477-G481 PolarHBondContact O-N 2.92Å; L479-G481 PolarHBondContact O-N 3.34Å; G481-R485 WeakPolarHBondContact O-CB 3.48Å; G481-R485 PolarHBondContact O-N 2.98Å
482	E	93.7	Very high	92.8	Very high	19 Å²	19	32 Å²	32	9%	0.089	16%	0.159	C	C	.	.	H	α-helix	trans	-79.7	-35.3	176	-176.9	65	-168.8	0	0	112.7	H478 L479 I480 R485 R486 L519 L528	H478-E482 PolarHBondContact O-N 3.06Å; H478-E482 VanDerWaalsContact O-N 3.12Å; L479-E482 PolarHBondContact O-N 3.37Å; I480-E482 VanDerWaalsContact C-N 3.28Å; I480-E482 PolarHBondContact O-N 3.05Å; E482-R485 WeakPolarHBondContact O-CB 3.44Å; E482-R485 PolarHBondContact O-N 3.39Å; E482-R485 IonicContact OE1-CZ 2.8Å; E482-R485 IonicContact OE1-NE 3.07Å; E482-R485 PolarHBondContact OE1-NE 3.09Å; E482-R485 IonicContact OE1-NH2 3.28Å; E482-R485 PolarHBondContact OE1-NH2 3.09Å; E482-R485 IonicContact OE2-CZ 2.7Å; E482-R485 IonicContact OE2-NE 2.82Å; E482-R485 PolarHBondContact OE2-NE 3.18Å; E482-R485 IonicContact OE2-NH2 3.24Å; E482-R486 PolarHBondContact O-N 2.77Å; E482-R486 VanDerWaalsContact OE1-CD 3.29Å; E482-R486 WeakPolarHBondContact OE1-CD 3.15Å; E482-R486 IonicContact OE1-NE 3.2Å; E482-R486 PolarHBondContact OE1-NE 3.29Å; E482-L519 HydrophobicContact CB-CB 4.27Å; E482-L519 HydrophobicContact CB-CD1 3.79Å; E482-L519 HydrophobicContact CG-CB 3.85Å; E482-L519 HydrophobicContact CG-CD1 4.28Å; E482-L528 HydrophobicContact CB-CD1 4.09Å; E482-L528 HydrophobicContact CG-CD1 3.52Å
483	I	95.8	Very high	93.2	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-64.3	-45.3	174.3	-68.1	162.8	0	0	0	110.3	L479 I480 R485 R486 G487 I493 L528 T529	L479-I483 WeakPolarHBondContact O-CB 3.32Å; L479-I483 WeakPolarHBondContact O-CD1 3.5Å; L479-I483 WeakPolarHBondContact O-CG1 3.32Å; L479-I483 PolarHBondContact O-N 3.35Å; I480-I483 PolarHBondContact O-N 3.24Å; I483-R485 PolarHBondContact O-N 3.17Å; I483-R486 PolarHBondContact O-N 3.1Å; I483-G487 WeakPolarHBondContact O-CA 3Å; I483-G487 PolarHBondContact O-N 3.22Å; I483-I493 HydrophobicContact CG2-CD1 3.6Å; I483-L528 HydrophobicContact CD1-CB 4.07Å; I483-L528 HydrophobicContact CG1-CB 3.81Å; I483-L528 HydrophobicContact CG1-CD1 4.13Å; I483-T529 HydrophobicContact CD1-CG2 3.84Å; I483-T529 HydrophobicContact CG1-CG2 4.22Å; I483-T529 HydrophobicContact CG2-CG2 4.33Å
484	E	92.9	Very high	93.5	Very high	49 Å²	49	31.9 Å²	31.9	23%	0.229	16%	0.158	C	C	.	.	H	α-helix	trans	-61.2	-31.5	175.6	-71.9	-173.6	-174.5	0	0	112.6	I480 R486 L488 H590 K593	I480-E484 HydrophobicContact CG2-CG 4.26Å; I480-E484 WeakPolarHBondContact CG2-OE1 3.4Å; I480-E484 WeakPolarHBondContact O-CB 3.23Å; I480-E484 WeakPolarHBondContact O-CG 3.44Å; I480-E484 PolarHBondContact O-N 3.36Å; E484-R486 PolarHBondContact O-N 3.09Å; E484-L488 HydrophobicContact CB-CD1 4.47Å; E484-L488 HydrophobicContact CG-CD2 4.31Å; E484-H590 VanDerWaalsContact CG-ND1 3.28Å; E484-H590 WeakPolarHBondContact CG-ND1 3.3Å; E484-H590 IonicContact OE1-CG 3.28Å; E484-H590 IonicContact OE1-ND1 2.72Å; E484-H590 PolarHBondContact OE1-ND1 2.9Å; E484-K593 HydrophobicContact CG-CD 4.45Å; E484-K593 VanDerWaalsContact OE1-CD 3.28Å; E484-K593 WeakPolarHBondContact OE1-CD 3.43Å; E484-K593 IonicContact OE1-NZ 3.69Å; E484-K593 PolarHBondContact OE1-NZ 2.94Å; E484-K593 IonicContact OE2-NZ 3.76Å; E484-K593 PolarHBondContact OE2-NZ 2.95Å
485	R	91.9	Very high	93.7	Very high	148 Å²	148	36.4 Å²	36.4	56%	0.558	18%	0.175	S	C	*	.	H	α-helix	trans	-70.1	-27	-178.4	-164	-171.8	66.3	71.9	-9	114	G481 E482 I483	G481-R485 WeakPolarHBondContact O-CB 3.48Å; G481-R485 PolarHBondContact O-N 2.98Å; E482-R485 WeakPolarHBondContact O-CB 3.44Å; E482-R485 PolarHBondContact O-N 3.39Å; E482-R485 IonicContact OE1-CZ 2.8Å; E482-R485 IonicContact OE1-NE 3.07Å; E482-R485 PolarHBondContact OE1-NE 3.09Å; E482-R485 IonicContact OE1-NH2 3.28Å; E482-R485 PolarHBondContact OE1-NH2 3.09Å; E482-R485 IonicContact OE2-CZ 2.7Å; E482-R485 IonicContact OE2-NE 2.82Å; E482-R485 PolarHBondContact OE2-NE 3.18Å; E482-R485 IonicContact OE2-NH2 3.24Å; I483-R485 PolarHBondContact O-N 3.17Å
486	R	93.3	Very high	93.8	Very high	65 Å²	65	38.6 Å²	38.6	25%	0.245	19%	0.188	C	C	.	.	H	α-helix	trans	-153.3	5.8	-167.7	76.3	-171.2	179.6	87	1.2	117	E482 I483 E484 V522 D523 V525	E482-R486 PolarHBondContact O-N 2.77Å; E482-R486 VanDerWaalsContact OE1-CD 3.29Å; E482-R486 WeakPolarHBondContact OE1-CD 3.15Å; E482-R486 IonicContact OE1-NE 3.2Å; E482-R486 PolarHBondContact OE1-NE 3.29Å; I483-R486 PolarHBondContact O-N 3.1Å; E484-R486 PolarHBondContact O-N 3.09Å; R486-V522 PolarHBondContact NH2-O 2.89Å; R486-D523 PolarHBondContact NH1-O 3.18Å; R486-V525 HydrophobicContact CG-CG2 4.4Å
487	G	90.2	Very high	93.8	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	22%	0.22	C	C	.	.			trans	-130	-4.5	-170.7	0	0	0	0	0	115.4	I483 D489 Y490 I493	I483-G487 WeakPolarHBondContact O-CA 3Å; I483-G487 PolarHBondContact O-N 3.22Å; G487-D489 PolarHBondContact O-N 2.83Å; G487-Y490 WeakPolarHBondContact O-CB 3.25Å; G487-Y490 PolarHBondContact O-N 2.83Å; G487-I493 WeakPolarHBondContact O-CD1 3.37Å
488	L	92.9	Very high	93.9	Very high	25 Å²	25	43.7 Å²	43.7	13%	0.131	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-23.5	-176.9	-66.5	177.9	0	0	0	113.5	E484 K593 V594 Q597 N601	E484-L488 HydrophobicContact CB-CD1 4.47Å; E484-L488 HydrophobicContact CG-CD2 4.31Å; L488-K593 HydrophobicContact CD2-CB 4.46Å; L488-V594 HydrophobicContact CD2-CG2 3.8Å; L488-Q597 HydrophobicContact CB-CG 4.43Å; L488-Q597 WeakPolarHBondContact O-CB 3.35Å; L488-Q597 PolarHBondContact O-OE1 2.8Å; L488-N601 WeakPolarHBondContact O-CB 3.36Å; L488-N601 PolarHBondContact O-ND2 2.83Å
489	D	93.3	Very high	94.1	Very high	99 Å²	99	46.3 Å²	46.3	53%	0.529	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.8	-7	175.7	60	-22.9	0	0	0	113.6	G487 V491 A600	G487-D489 PolarHBondContact O-N 2.83Å; D489-V491 PolarHBondContact O-N 2.76Å; D489-A600 HydrophobicContact CB-CB 4.39Å
490	Y	94.4	Very high	94	Very high	80 Å²	80	49.8 Å²	49.8	31%	0.314	26%	0.26	S	S	.	.			trans	-65.2	115.9	-175.3	-172.6	-85.4	0	0	0	111.7	G487 G492 I493 V496 V525 S526 N601	G487-Y490 WeakPolarHBondContact O-CB 3.25Å; G487-Y490 PolarHBondContact O-N 2.83Å; Y490-G492 PolarHBondContact O-N 3.37Å; Y490-G492 VanDerWaalsContact O-N 3.17Å; Y490-I493 HydrophobicContact CD1-CB 4.47Å; Y490-I493 WeakPolarHBondContact O-CB 3.29Å; Y490-I493 PolarHBondContact O-N 3.41Å; Y490-V496 HydrophobicContact CE1-CB 4.28Å; Y490-V496 HydrophobicContact CE1-CG1 4.5Å; Y490-V496 HydrophobicContact CE1-CG2 4.44Å; Y490-V525 HydrophobicContact CD2-CB 4.03Å; Y490-V525 HydrophobicContact CD2-CG2 4.17Å; Y490-V525 HydrophobicContact CE2-CB 4.31Å; Y490-V525 HydrophobicContact CG-CB 4.24Å; Y490-V525 HydrophobicContact CG-CG1 4.29Å; Y490-S526 WeakPolarHBondContact CE1-OG 3.32Å; Y490-S526 PolarHBondContact OH-OG 2.84Å; Y490-S526 VanDerWaalsContact OH-OG 3.05Å; Y490-N601 WeakPolarHBondContact O-CB 3.44Å
491	V	95.6	Very high	94.1	Very high	89 Å²	89	53.4 Å²	53.4	54%	0.539	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.1	119	-175.2	-179	0	0	0	0	111.4	D489 N601 K602	D489-V491 PolarHBondContact O-N 2.76Å; V491-N601 CarbonylContact C-O 3.49Å; V491-N601 WeakPolarHBondContact CA-O 3.4Å; V491-K602 HydrophobicContact CG1-CG 4.12Å
492	G	93.8	Very high	94.4	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	74.5	27.3	-175.5	0	0	0	0	0	113.9	Y490 Y494 R495 V496 N601	Y490-G492 PolarHBondContact O-N 3.37Å; Y490-G492 VanDerWaalsContact O-N 3.17Å; G492-Y494 PolarHBondContact O-N 3.48Å; G492-R495 CarbonylContact O-C 3.47Å; G492-R495 WeakPolarHBondContact O-CA 3.34Å; G492-R495 WeakPolarHBondContact O-CB 3.42Å; G492-R495 PolarHBondContact O-N 2.82Å; G492-V496 WeakPolarHBondContact O-CG2 3.13Å; G492-V496 PolarHBondContact O-N 3.02Å; G492-N601 PolarHBondContact N-O 3.46Å
493	I	96.6	Very high	94.6	Very high	1 Å²	1	56.5 Å²	56.5	1%	0.005	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-43.4	135.9	169.3	-177	169.4	0	0	0	111.4	I483 G487 Y490 R495 T529 V594 N601 M603	I483-I493 HydrophobicContact CG2-CD1 3.6Å; G487-I493 WeakPolarHBondContact O-CD1 3.37Å; Y490-I493 HydrophobicContact CD1-CB 4.47Å; Y490-I493 WeakPolarHBondContact O-CB 3.29Å; Y490-I493 PolarHBondContact O-N 3.41Å; I493-R495 PolarHBondContact O-N 3.05Å; I493-T529 HydrophobicContact CD1-CG2 4.29Å; I493-T529 HydrophobicContact CG1-CG2 3.84Å; I493-V594 HydrophobicContact CD1-CG2 4.24Å; I493-V594 HydrophobicContact CG2-CG1 3.54Å; I493-N601 HydrophobicContact CG2-CB 3.95Å; I493-M603 HydrophobicContact CG2-CB 4.13Å; I493-M603 HydrophobicContact CG2-CG 3.8Å; I493-M603 WeakPolarHBondContact O-CE 3.06Å; I493-M603 WeakPolarHBondContact O-CG 3.28Å
494	Y	97	Very high	94.6	Very high	1 Å²	1	61 Å²	61	0%	0.004	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	61.9	-26.4	-168.2	-62.4	-72.3	0	0	0	117.2	G492 T529 L532 K533 H590 L591 V594 L608 F612	G492-Y494 PolarHBondContact O-N 3.48Å; Y494-T529 HydrophobicContact CD1-CG2 3.84Å; Y494-T529 HydrophobicContact CD2-CG2 4.49Å; Y494-T529 HydrophobicContact CE1-CG2 3.64Å; Y494-T529 HydrophobicContact CE2-CG2 4.32Å; Y494-T529 HydrophobicContact CG-CG2 4.24Å; Y494-L532 HydrophobicContact CE1-CD2 4.01Å; Y494-L532 WeakPolarHBondContact OH-CD2 3.41Å; Y494-K533 HydrophobicContact CD1-CD 4.2Å; Y494-K533 HydrophobicContact CD1-CG 4.13Å; Y494-K533 PolarHBondContact O-NZ 2.96Å; Y494-H590 AromaticContact CE2-NE2 3.55Å; Y494-H590 AromaticContact CZ-NE2 3.58Å; Y494-H590 PolarHBondContact OH-CD2 3.31Å; Y494-H590 PolarHBondContact OH-NE2 2.96Å; Y494-L591 HydrophobicContact CD2-CD2 4.06Å; Y494-L591 HydrophobicContact CE2-CD2 3.72Å; Y494-V594 HydrophobicContact CE2-CG2 4.26Å; Y494-L608 HydrophobicContact CD2-CD2 4.37Å; Y494-F612 AromaticContact CD1-CE2 3.79Å; Y494-F612 HydrophobicContact CD1-CE2 3.79Å; Y494-F612 AromaticContact CD1-CZ 3.55Å; Y494-F612 HydrophobicContact CD1-CZ 3.55Å; Y494-F612 AromaticContact CD2-CE2 3.9Å; Y494-F612 HydrophobicContact CD2-CE2 3.9Å; Y494-F612 HydrophobicContact CD2-CZ 4.26Å; Y494-F612 HydrophobicContact CE1-CE2 4.24Å; Y494-F612 AromaticContact CE1-CZ 3.66Å; Y494-F612 HydrophobicContact CE1-CZ 3.66Å; Y494-F612 HydrophobicContact CE2-CE2 4.33Å; Y494-F612 HydrophobicContact CE2-CZ 4.34Å; Y494-F612 AromaticContact CG-CE2 3.63Å; Y494-F612 HydrophobicContact CG-CE2 3.63Å; Y494-F612 AromaticContact CG-CZ 3.9Å; Y494-F612 HydrophobicContact CG-CZ 3.9Å
495	R	95.9	Very high	94.7	Very high	117 Å²	117	61.8 Å²	61.8	44%	0.442	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.5	-43.1	175.1	-174.5	176.8	67.6	-137.1	-3.3	112.1	G492 I493 K602 M603 N607 I611	G492-R495 CarbonylContact O-C 3.47Å; G492-R495 WeakPolarHBondContact O-CA 3.34Å; G492-R495 WeakPolarHBondContact O-CB 3.42Å; G492-R495 PolarHBondContact O-N 2.82Å; I493-R495 PolarHBondContact O-N 3.05Å; R495-K602 PolarHBondContact NH1-O 2.77Å; R495-K602 VanDerWaalsContact NH1-O 3.11Å; R495-M603 HydrophobicContact CB-CE 3.88Å; R495-M603 HydrophobicContact CB-SD 3.69Å; R495-M603 PolarHBondContact NH1-SD 2.77Å; R495-N607 PolarHBondContact NH1-ND2 3.44Å; R495-I611 HydrophobicContact CB-CD1 3.92Å
496	V	95.2	Very high	94.8	Very high	48 Å²	48	55 Å²	55	29%	0.291	29%	0.288	S	S	.	.	S	Bend	trans	-72.2	128	177.6	178.8	0	0	0	0	109.6	Y490 G492 S526	Y490-V496 HydrophobicContact CE1-CB 4.28Å; Y490-V496 HydrophobicContact CE1-CG1 4.5Å; Y490-V496 HydrophobicContact CE1-CG2 4.44Å; G492-V496 WeakPolarHBondContact O-CG2 3.13Å; G492-V496 PolarHBondContact O-N 3.02Å; V496-S526 WeakPolarHBondContact CG1-OG 3.46Å
497	P	93.5	Very high	94.9	Very high	106 Å²	106	52.1 Å²	52.1	69%	0.688	28%	0.277	S	S	*	.	P	Polyproline II helix	trans	-83.8	133.1	177.6	32.1	-33	0	0	0	111.8
498	G	93.1	Very high	95	Very high	14 Å²	14	57.6 Å²	57.6	14%	0.144	30%	0.302	C	S	.	.	P	Polyproline II helix	trans	-76.3	167.3	166.1	0	0	0	0	0	112.2	D500 S526	G498-D500 PolarHBondContact O-N 3.2Å; G498-D500 VanDerWaalsContact O-N 3.12Å; G498-S526 VanDerWaalsContact CA-C 3.48Å; G498-S526 WeakPolarHBondContact CA-O 3.19Å; G498-S526 PolarHBondContact N-O 3.41Å
499	T	96.3	Very high	94.8	Very high	69 Å²	69	62.3 Å²	62.3	42%	0.423	32%	0.319	S	S	.	.			trans	-60.2	113.7	177.6	-40.7	0	0	0	0	111.2	S501 K502 V503	T499-S501 VanDerWaalsContact C-N 3.27Å; T499-S501 PolarHBondContact O-N 2.89Å; T499-S501 VanDerWaalsContact O-N 3.13Å; T499-K502 HydrophobicContact CG2-CG 4.5Å; T499-K502 WeakPolarHBondContact O-CA 3.22Å; T499-K502 WeakPolarHBondContact O-CB 3.45Å; T499-K502 PolarHBondContact O-N 2.85Å; T499-V503 WeakPolarHBondContact O-CG2 3.11Å; T499-V503 PolarHBondContact O-N 2.86Å
500	D	94.3	Very high	94.7	Very high	73 Å²	73	58.1 Å²	58.1	39%	0.39	30%	0.295	S	S	.	.	H	α-helix	trans	-57.3	-33.9	-171.6	176.5	65	0	0	0	114.1	G498 V503 K504 K534	G498-D500 PolarHBondContact O-N 3.2Å; G498-D500 VanDerWaalsContact O-N 3.12Å; D500-V503 PolarHBondContact O-N 3.4Å; D500-K504 WeakPolarHBondContact O-CB 3.28Å; D500-K504 WeakPolarHBondContact O-CG 3.23Å; D500-K504 PolarHBondContact O-N 2.77Å; D500-K504 WeakPolarHBondContact OD2-CD 3.48Å; D500-K504 WeakPolarHBondContact OD2-CE 3.43Å; D500-K504 IonicContact OD2-NZ 2.66Å; D500-K504 PolarHBondContact OD2-NZ 3.43Å; D500-K534 IonicContact OD1-NZ 3.77Å; D500-K534 PolarHBondContact OD1-NZ 3.26Å
501	S	96.7	Very high	94.3	Very high	79 Å²	79	56.1 Å²	56.1	55%	0.552	29%	0.29	S	S	*	.	H	α-helix	trans	-62.4	-43.7	173.9	54.6	0	0	0	0	112.6	T499 V503 K504 D505	T499-S501 VanDerWaalsContact C-N 3.27Å; T499-S501 PolarHBondContact O-N 2.89Å; T499-S501 VanDerWaalsContact O-N 3.13Å; S501-V503 VanDerWaalsContact C-N 3.35Å; S501-K504 PolarHBondContact O-N 2.72Å; S501-D505 WeakPolarHBondContact O-CB 3.44Å; S501-D505 PolarHBondContact O-N 2.88Å
502	K	96.8	Very high	93.8	Very high	118 Å²	118	58.9 Å²	58.9	51%	0.513	30%	0.295	S	S	.	.	H	α-helix	trans	-67.3	-35.3	174.3	-64.5	-176.6	177.2	179.8	0	112	T499 L506 V527	T499-K502 HydrophobicContact CG2-CG 4.5Å; T499-K502 WeakPolarHBondContact O-CA 3.22Å; T499-K502 WeakPolarHBondContact O-CB 3.45Å; T499-K502 PolarHBondContact O-N 2.85Å; K502-L506 VanDerWaalsContact O-CB 3.3Å; K502-L506 WeakPolarHBondContact O-CB 3.26Å; K502-L506 PolarHBondContact O-N 2.93Å; K502-V527 HydrophobicContact CB-CG1 3.98Å; K502-V527 HydrophobicContact CB-CG2 3.87Å; K502-V527 HydrophobicContact CD-CG2 4.15Å
503	V	96.8	Very high	93	Very high	6 Å²	6	60.6 Å²	60.6	4%	0.036	31%	0.313	C	S	.	.	H	α-helix	trans	-65.7	-45	176.1	176.2	0	0	0	0	111	T499 D500 S501 L507 V527 G530 C531 K534	T499-V503 WeakPolarHBondContact O-CG2 3.11Å; T499-V503 PolarHBondContact O-N 2.86Å; D500-V503 PolarHBondContact O-N 3.4Å; S501-V503 VanDerWaalsContact C-N 3.35Å; V503-L507 WeakPolarHBondContact O-CB 2.89Å; V503-L507 PolarHBondContact O-N 2.61Å; V503-V527 HydrophobicContact CG2-CB 4.42Å; V503-V527 HydrophobicContact CG2-CG1 4.19Å; V503-V527 HydrophobicContact CG2-CG2 4.43Å; V503-G530 VanDerWaalsContact CG1-C 3.48Å; V503-C531 HydrophobicContact CG1-CB 4.36Å; V503-K534 HydrophobicContact CG1-CB 4.15Å; V503-K534 HydrophobicContact CG1-CD 3.68Å
504	K	95.7	Very high	91.7	Very high	95 Å²	95	69.2 Å²	69.2	41%	0.413	35%	0.345	S	S	.	.	H	α-helix	trans	-61.3	-51.7	175.1	-76.9	167.7	172.1	160.1	0	111.7	D500 S501 L506 L507 E508 K534	D500-K504 WeakPolarHBondContact O-CB 3.28Å; D500-K504 WeakPolarHBondContact O-CG 3.23Å; D500-K504 PolarHBondContact O-N 2.77Å; D500-K504 WeakPolarHBondContact OD2-CD 3.48Å; D500-K504 WeakPolarHBondContact OD2-CE 3.43Å; D500-K504 IonicContact OD2-NZ 2.66Å; D500-K504 PolarHBondContact OD2-NZ 3.43Å; S501-K504 PolarHBondContact O-N 2.72Å; K504-L506 PolarHBondContact O-N 3.1Å; K504-L507 PolarHBondContact O-N 3.14Å; K504-L507 VanDerWaalsContact O-N 3.16Å; K504-E508 WeakPolarHBondContact O-CG 3.26Å; K504-E508 PolarHBondContact O-N 2.68Å; K504-K534 HydrophobicContact CG-CD 4.48Å
505	D	94.9	Very high	90.6	Very high	65 Å²	65	69.8 Å²	69.8	35%	0.348	35%	0.352	S	S	.	.	H	α-helix	trans	-56.7	-47.5	177.6	170.3	42.8	0	0	0	112	S501 L507 E508 R509	S501-D505 WeakPolarHBondContact O-CB 3.44Å; S501-D505 PolarHBondContact O-N 2.88Å; D505-L507 VanDerWaalsContact C-N 3.33Å; D505-L507 PolarHBondContact O-N 3.42Å; D505-E508 PolarHBondContact O-N 3.08Å; D505-R509 VanDerWaalsContact CG-NH2 3.33Å; D505-R509 VanDerWaalsContact O-CG 3.25Å; D505-R509 WeakPolarHBondContact O-CG 3.3Å; D505-R509 PolarHBondContact O-N 3.21Å; D505-R509 IonicContact OD1-CZ 2.84Å; D505-R509 IonicContact OD1-NE 3.79Å; D505-R509 PolarHBondContact OD1-NE 2.81Å; D505-R509 IonicContact OD1-NH2 3.42Å; D505-R509 PolarHBondContact OD1-NH2 3.25Å; D505-R509 VanDerWaalsContact OD1-NH2 3.15Å; D505-R509 IonicContact OD2-CZ 3.51Å; D505-R509 IonicContact OD2-NE 2.72Å; D505-R509 PolarHBondContact OD2-NE 3.11Å; D505-R509 IonicContact OD2-NH2 2.82Å; D505-R509 PolarHBondContact OD2-NH2 3.29Å
506	L	95.3	Very high	90	Very high	6 Å²	6	65.2 Å²	65.2	3%	0.031	34%	0.337	C	S	.	.	H	α-helix	trans	-61.9	-40.3	176.8	-178.1	59.6	0	0	0	112.5	L479 K502 K504 R509 F510 P517 L519 V522 V527 L528 C531	L479-L506 HydrophobicContact CD2-CD2 4.33Å; K502-L506 VanDerWaalsContact O-CB 3.3Å; K502-L506 WeakPolarHBondContact O-CB 3.26Å; K502-L506 PolarHBondContact O-N 2.93Å; K504-L506 PolarHBondContact O-N 3.1Å; L506-R509 PolarHBondContact O-N 2.82Å; L506-F510 HydrophobicContact CD1-CD2 4.24Å; L506-F510 HydrophobicContact CD1-CE2 4.08Å; L506-F510 HydrophobicContact CG-CD2 4.31Å; L506-F510 HydrophobicContact CG-CE2 4.29Å; L506-F510 WeakPolarHBondContact O-CD2 3.29Å; L506-F510 PolarHBondContact O-N 2.89Å; L506-P517 HydrophobicContact CD1-CB 3.94Å; L506-P517 HydrophobicContact CD1-CG 4.25Å; L506-L519 HydrophobicContact CD1-CD2 3.93Å; L506-L519 HydrophobicContact CD2-CD2 4.49Å; L506-V522 HydrophobicContact CD1-CG2 4.32Å; L506-V522 HydrophobicContact CD2-CG1 4.44Å; L506-V522 HydrophobicContact CD2-CG2 4.38Å; L506-V527 HydrophobicContact CD2-CG1 4.08Å; L506-L528 HydrophobicContact CD2-CD2 3.78Å; L506-C531 HydrophobicContact CD2-CB 3.93Å; L506-C531 HydrophobicContact CG-CB 4.38Å
507	L	94.1	Very high	89.6	Confident	4 Å²	4	63.7 Å²	63.7	2%	0.021	33%	0.328	C	S	.	.	H	α-helix	trans	-66.7	-46.1	177.7	-176.8	56.1	0	0	0	111.4	I475 V503 K504 D505 R509 F510 L511 K534 F535	I475-L507 HydrophobicContact CD1-CD1 3.54Å; V503-L507 WeakPolarHBondContact O-CB 2.89Å; V503-L507 PolarHBondContact O-N 2.61Å; K504-L507 PolarHBondContact O-N 3.14Å; K504-L507 VanDerWaalsContact O-N 3.16Å; D505-L507 VanDerWaalsContact C-N 3.33Å; D505-L507 PolarHBondContact O-N 3.42Å; L507-R509 VanDerWaalsContact C-N 3.29Å; L507-R509 PolarHBondContact O-N 2.87Å; L507-F510 WeakPolarHBondContact O-CB 3.49Å; L507-F510 PolarHBondContact O-N 2.64Å; L507-L511 HydrophobicContact CD1-CD1 3.99Å; L507-L511 HydrophobicContact CD1-CD2 4.41Å; L507-L511 HydrophobicContact CD1-CG 4.02Å; L507-L511 HydrophobicContact CG-CD1 3.91Å; L507-L511 HydrophobicContact CG-CG 4.31Å; L507-L511 WeakPolarHBondContact O-CG 3.18Å; L507-L511 PolarHBondContact O-N 2.7Å; L507-K534 HydrophobicContact CD2-CB 4.07Å; L507-K534 HydrophobicContact CD2-CD 3.99Å; L507-K534 HydrophobicContact CD2-CG 3.83Å; L507-F535 HydrophobicContact CD1-CB 4.03Å; L507-F535 HydrophobicContact CD1-CD2 4.35Å
508	E	92.1	Very high	89.2	Confident	114 Å²	114	61.5 Å²	61.5	53%	0.533	31%	0.311	S	S	.	.	H	α-helix	trans	-58.2	-40.1	175.3	-74.7	174.5	-162.8	0	0	112	K504 D505 F510 L511 F512	K504-E508 WeakPolarHBondContact O-CG 3.26Å; K504-E508 PolarHBondContact O-N 2.68Å; D505-E508 PolarHBondContact O-N 3.08Å; E508-F510 VanDerWaalsContact C-N 3.33Å; E508-F510 PolarHBondContact O-N 3.36Å; E508-L511 PolarHBondContact O-N 3.34Å; E508-F512 HydrophobicContact CB-CD2 4.4Å; E508-F512 PolarHBondContact O-N 3.43Å
509	R	90.1	Very high	89.1	Confident	125 Å²	125	61.5 Å²	61.5	47%	0.472	31%	0.307	S	S	.	.	H	α-helix	trans	-64.1	-32.9	174.4	-67.5	172.6	-165.6	-150.2	12.7	113.2	D505 L506 L507 G513 P517	D505-R509 VanDerWaalsContact CG-NH2 3.33Å; D505-R509 VanDerWaalsContact O-CG 3.25Å; D505-R509 WeakPolarHBondContact O-CG 3.3Å; D505-R509 PolarHBondContact O-N 3.21Å; D505-R509 IonicContact OD1-CZ 2.84Å; D505-R509 IonicContact OD1-NE 3.79Å; D505-R509 PolarHBondContact OD1-NE 2.81Å; D505-R509 IonicContact OD1-NH2 3.42Å; D505-R509 PolarHBondContact OD1-NH2 3.25Å; D505-R509 VanDerWaalsContact OD1-NH2 3.15Å; D505-R509 IonicContact OD2-CZ 3.51Å; D505-R509 IonicContact OD2-NE 2.72Å; D505-R509 PolarHBondContact OD2-NE 3.11Å; D505-R509 IonicContact OD2-NH2 2.82Å; D505-R509 PolarHBondContact OD2-NH2 3.29Å; L506-R509 PolarHBondContact O-N 2.82Å; L507-R509 VanDerWaalsContact C-N 3.29Å; L507-R509 PolarHBondContact O-N 2.87Å; R509-G513 WeakPolarHBondContact O-CA 3.15Å; R509-G513 PolarHBondContact O-N 2.72Å; R509-G513 VanDerWaalsContact O-N 3.1Å; R509-P517 HydrophobicContact CB-CB 4.5Å; R509-P517 HydrophobicContact CB-CG 3.76Å
510	F	89.9	Confident	88.5	Confident	10 Å²	10	65.4 Å²	65.4	4%	0.044	32%	0.318	C	S	.	.	H	α-helix	trans	-73.8	-39.8	172.5	-91.6	-74.2	0	0	0	113	H474 I475 H478 L479 L506 L507 E508 V516 P517 L519	H474-F510 AromaticContact NE2-CD1 3.96Å; I475-F510 HydrophobicContact CB-CB 4.39Å; I475-F510 HydrophobicContact CB-CD1 3.77Å; I475-F510 HydrophobicContact CB-CE1 4.12Å; I475-F510 HydrophobicContact CB-CG 4.09Å; I475-F510 HydrophobicContact CD1-CB 3.68Å; I475-F510 HydrophobicContact CD1-CD1 4.38Å; I475-F510 HydrophobicContact CD1-CD2 3.98Å; I475-F510 HydrophobicContact CD1-CG 3.79Å; I475-F510 HydrophobicContact CG1-CB 4.07Å; I475-F510 HydrophobicContact CG1-CD1 3.8Å; I475-F510 HydrophobicContact CG1-CD2 3.87Å; I475-F510 HydrophobicContact CG1-CE1 4.1Å; I475-F510 HydrophobicContact CG1-CE2 4.16Å; I475-F510 HydrophobicContact CG1-CG 3.67Å; I475-F510 HydrophobicContact CG1-CZ 4.27Å; H478-F510 HydrophobicContact CB-CE1 4.26Å; H478-F510 HydrophobicContact CB-CZ 4.24Å; L479-F510 HydrophobicContact CD1-CE2 4.46Å; L479-F510 HydrophobicContact CD2-CE2 3.87Å; L479-F510 HydrophobicContact CD2-CZ 4.28Å; L479-F510 HydrophobicContact CG-CE2 4.02Å; L479-F510 HydrophobicContact CG-CZ 4.15Å; L506-F510 HydrophobicContact CD1-CD2 4.24Å; L506-F510 HydrophobicContact CD1-CE2 4.08Å; L506-F510 HydrophobicContact CG-CD2 4.31Å; L506-F510 HydrophobicContact CG-CE2 4.29Å; L506-F510 WeakPolarHBondContact O-CD2 3.29Å; L506-F510 PolarHBondContact O-N 2.89Å; L507-F510 WeakPolarHBondContact O-CB 3.49Å; L507-F510 PolarHBondContact O-N 2.64Å; E508-F510 VanDerWaalsContact C-N 3.33Å; E508-F510 PolarHBondContact O-N 3.36Å; F510-V516 HydrophobicContact CE1-CG1 3.97Å; F510-V516 HydrophobicContact CZ-CG1 4.46Å; F510-P517 HydrophobicContact CD1-CG 4.3Å; F510-P517 HydrophobicContact CD2-CG 3.9Å; F510-P517 HydrophobicContact CE1-CG 4.47Å; F510-P517 HydrophobicContact CE2-CG 4.08Å; F510-P517 HydrophobicContact CG-CG 4.02Å; F510-P517 HydrophobicContact CZ-CG 4.37Å; F510-L519 HydrophobicContact CE2-CD2 3.77Å; F510-L519 HydrophobicContact CZ-CD1 4.29Å; F510-L519 HydrophobicContact CZ-CD2 3.86Å; F510-L519 HydrophobicContact CZ-CG 4.46Å
511	L	87.6	Confident	88.1	Confident	39 Å²	39	67.8 Å²	67.8	20%	0.204	33%	0.33	C	S	.	.	H	α-helix	trans	-79.4	-36.3	-173.9	-63.4	-179.9	0	0	0	113.1	Y464 L507 E508 F535	Y464-L511 HydrophobicContact CD1-CD2 4.09Å; Y464-L511 HydrophobicContact CE1-CD2 3.57Å; L507-L511 HydrophobicContact CD1-CD1 3.99Å; L507-L511 HydrophobicContact CD1-CD2 4.41Å; L507-L511 HydrophobicContact CD1-CG 4.02Å; L507-L511 HydrophobicContact CG-CD1 3.91Å; L507-L511 HydrophobicContact CG-CG 4.31Å; L507-L511 WeakPolarHBondContact O-CG 3.18Å; L507-L511 PolarHBondContact O-N 2.7Å; E508-L511 PolarHBondContact O-N 3.34Å; L511-F535 HydrophobicContact CD2-CD2 4.43Å; L511-F535 HydrophobicContact CD2-CE2 4.45Å
512	F	83.7	Confident	87.9	Confident	146 Å²	146	65.5 Å²	65.5	64%	0.64	31%	0.313	S	S	*	.	H	α-helix	trans	-122.9	-5.3	-172.4	-51.4	-65.9	0	0	0	113.9	E508	E508-F512 HydrophobicContact CB-CD2 4.4Å; E508-F512 PolarHBondContact O-N 3.43Å
513	G	76.7	Confident	87.5	Confident	37 Å²	37	66.5 Å²	66.5	38%	0.381	32%	0.324	S	S	.	.			trans	-70.9	160.7	177.9	0	0	0	0	0	114	R509	R509-G513 WeakPolarHBondContact O-CA 3.15Å; R509-G513 PolarHBondContact O-N 2.72Å; R509-G513 VanDerWaalsContact O-N 3.1Å
514	R	70.5	Confident	87.4	Confident	181 Å²	181	68.4 Å²	68.4	68%	0.683	33%	0.334	S	S	*	.	S	Bend	trans	-79.6	-22.2	-179.4	-62.7	-173.6	-179	-152.4	1.5	113.4	R450	R450-R514 PolarHBondContact NH1-O 2.91Å
515	G	73	Confident	87.3	Confident	13 Å²	13	64.3 Å²	64.3	13%	0.134	32%	0.317	C	S	.	.	S	Bend	trans	-138.5	-177.6	-177.8	0	0	0	0	0	111.6
516	V	83.7	Confident	87.4	Confident	21 Å²	21	61.3 Å²	61.3	13%	0.127	30%	0.301	C	S	.	.			trans	-76.5	131.4	169.5	-179.5	0	0	0	0	108	I444 H478 F510	I444-V516 HydrophobicContact CD1-CB 3.97Å; I444-V516 HydrophobicContact CD1-CG1 4.16Å; I444-V516 WeakPolarHBondContact CD1-O 3.47Å; I444-V516 HydrophobicContact CG2-CG1 4.17Å; H478-V516 HydrophobicContact CB-CG1 4.26Å; F510-V516 HydrophobicContact CE1-CG1 3.97Å; F510-V516 HydrophobicContact CZ-CG1 4.46Å
517	P	86.7	Confident	87.5	Confident	17 Å²	17	61 Å²	61	11%	0.11	30%	0.3	C	S	.	.			trans	-61.2	142.4	176.5	-23.3	34.8	0	0	0	111.9	L506 R509 F510 L519	L506-P517 HydrophobicContact CD1-CB 3.94Å; L506-P517 HydrophobicContact CD1-CG 4.25Å; R509-P517 HydrophobicContact CB-CB 4.5Å; R509-P517 HydrophobicContact CB-CG 3.76Å; F510-P517 HydrophobicContact CD1-CG 4.3Å; F510-P517 HydrophobicContact CD2-CG 3.9Å; F510-P517 HydrophobicContact CE1-CG 4.47Å; F510-P517 HydrophobicContact CE2-CG 4.08Å; F510-P517 HydrophobicContact CG-CG 4.02Å; F510-P517 HydrophobicContact CZ-CG 4.37Å; P517-L519 HydrophobicContact CB-CD2 4.32Å; P517-L519 PolarHBondContact O-N 2.72Å
518	N	85.9	Confident	87.7	Confident	60 Å²	60	60.9 Å²	60.9	32%	0.321	30%	0.299	S	S	.	.			trans	-74	88.7	175	-176	5.7	0	0	0	110.8	K520 L521	N518-K520 PolarHBondContact O-N 3.37Å; N518-K520 WeakPolarHBondContact OD1-CB 3.26Å; N518-K520 PolarHBondContact OD1-N 3.23Å; N518-L521 HydrophobicContact CB-CD1 4.16Å; N518-L521 HydrophobicContact CB-CG 4.34Å; N518-L521 WeakPolarHBondContact O-CB 3.37Å; N518-L521 PolarHBondContact O-N 3.13Å
519	L	90.1	Very high	88	Confident	13 Å²	13	55.5 Å²	55.5	7%	0.068	27%	0.273	C	S	.	.	G	3₁₀ helix	trans	-60.7	-16.9	-175.3	-54.9	-176.6	0	0	0	114.5	H478 L479 E482 L506 F510 P517 L521 V522 L528	H478-L519 HydrophobicContact CB-CD1 4.2Å; H478-L519 VanDerWaalsContact O-CD1 3.31Å; H478-L519 WeakPolarHBondContact O-CD1 3.22Å; L479-L519 HydrophobicContact CD2-CD1 4.18Å; L479-L519 HydrophobicContact CD2-CD2 4.27Å; E482-L519 HydrophobicContact CB-CB 4.27Å; E482-L519 HydrophobicContact CB-CD1 3.79Å; E482-L519 HydrophobicContact CG-CB 3.85Å; E482-L519 HydrophobicContact CG-CD1 4.28Å; L506-L519 HydrophobicContact CD1-CD2 3.93Å; L506-L519 HydrophobicContact CD2-CD2 4.49Å; F510-L519 HydrophobicContact CE2-CD2 3.77Å; F510-L519 HydrophobicContact CZ-CD1 4.29Å; F510-L519 HydrophobicContact CZ-CD2 3.86Å; F510-L519 HydrophobicContact CZ-CG 4.46Å; P517-L519 HydrophobicContact CB-CD2 4.32Å; P517-L519 PolarHBondContact O-N 2.72Å; L519-L521 PolarHBondContact O-N 3.02Å; L519-V522 PolarHBondContact O-N 3.26Å; L519-V522 VanDerWaalsContact O-N 3.12Å; L519-L528 HydrophobicContact CB-CD2 4.48Å; L519-L528 HydrophobicContact CD2-CD2 4.17Å
520	K	84.4	Confident	88.3	Confident	151 Å²	151	50 Å²	50	66%	0.657	26%	0.256	S	S	*	.	G	3₁₀ helix	trans	-66.2	-16.5	173.8	-59.1	-178.8	179.1	-178.9	0	113.5	N518 V522	N518-K520 PolarHBondContact O-N 3.37Å; N518-K520 WeakPolarHBondContact OD1-CB 3.26Å; N518-K520 PolarHBondContact OD1-N 3.23Å; K520-V522 VanDerWaalsContact C-N 3.34Å
521	L	86.2	Confident	88.7	Confident	124 Å²	124	49.6 Å²	49.6	65%	0.649	25%	0.254	S	S	*	.	G	3₁₀ helix	trans	-89.4	1.1	175.5	-57.7	177.3	0	0	0	112.9	N518 L519	N518-L521 HydrophobicContact CB-CD1 4.16Å; N518-L521 HydrophobicContact CB-CG 4.34Å; N518-L521 WeakPolarHBondContact O-CB 3.37Å; N518-L521 PolarHBondContact O-N 3.13Å; L519-L521 PolarHBondContact O-N 3.02Å
522	V	91.1	Very high	89.1	Confident	30 Å²	30	47.7 Å²	47.7	18%	0.182	25%	0.245	C	C	.	.			trans	-106.7	83	179.8	-175.2	0	0	0	0	108.2	R486 L506 L519 K520 D524 V527 L528	R486-V522 PolarHBondContact NH2-O 2.89Å; L506-V522 HydrophobicContact CD1-CG2 4.32Å; L506-V522 HydrophobicContact CD2-CG1 4.44Å; L506-V522 HydrophobicContact CD2-CG2 4.38Å; L519-V522 PolarHBondContact O-N 3.26Å; L519-V522 VanDerWaalsContact O-N 3.12Å; K520-V522 VanDerWaalsContact C-N 3.34Å; V522-D524 VanDerWaalsContact C-N 3.25Å; V522-D524 PolarHBondContact O-N 3.22Å; V522-V527 HydrophobicContact CG1-CB 3.89Å; V522-V527 HydrophobicContact CG1-CG1 3.69Å; V522-L528 HydrophobicContact CB-CD2 4.05Å; V522-L528 HydrophobicContact CG1-CD2 3.88Å; V522-L528 HydrophobicContact CG1-CG 4.39Å
523	D	89.8	Confident	89.8	Confident	139 Å²	139	42.3 Å²	42.3	74%	0.743	22%	0.221	S	C	*	.			trans	-59.6	-34.8	-171.8	-54.2	-47.9	0	0	0	113.3	R486 V525	R486-D523 PolarHBondContact NH1-O 3.18Å; D523-V525 PolarHBondContact O-N 2.96Å
524	D	93.3	Very high	90.7	Very high	47 Å²	47	42.1 Å²	42.1	25%	0.251	21%	0.209	S	C	.	.			trans	-79.7	114.7	-177.3	-176.5	11.9	0	0	0	113	V522 S526 V527	V522-D524 VanDerWaalsContact C-N 3.25Å; V522-D524 PolarHBondContact O-N 3.22Å; D524-S526 PolarHBondContact O-N 3.33Å; D524-S526 WeakPolarHBondContact OD1-CA 3.37Å; D524-S526 WeakPolarHBondContact OD1-CB 3.24Å; D524-S526 PolarHBondContact OD1-N 3.41Å; D524-S526 PolarHBondContact OD1-OG 2.93Å; D524-V527 HydrophobicContact CB-CB 4.39Å; D524-V527 HydrophobicContact CB-CG2 4.02Å; D524-V527 PolarHBondContact O-N 2.67Å; D524-V527 VanDerWaalsContact O-N 3.14Å
525	V	95.3	Very high	91.9	Very high	8 Å²	8	33.7 Å²	33.7	5%	0.048	18%	0.178	C	C	.	.	H	α-helix	trans	-61.2	-30.3	173.3	180	0	0	0	0	111.5	R486 Y490 D523 V527 L528 T529	R486-V525 HydrophobicContact CG-CG2 4.4Å; Y490-V525 HydrophobicContact CD2-CB 4.03Å; Y490-V525 HydrophobicContact CD2-CG2 4.17Å; Y490-V525 HydrophobicContact CE2-CB 4.31Å; Y490-V525 HydrophobicContact CG-CB 4.24Å; Y490-V525 HydrophobicContact CG-CG1 4.29Å; D523-V525 PolarHBondContact O-N 2.96Å; V525-V527 PolarHBondContact O-N 2.64Å; V525-L528 PolarHBondContact O-N 3.11Å; V525-T529 HydrophobicContact CG1-CG2 4.17Å; V525-T529 WeakPolarHBondContact O-CG2 3.37Å; V525-T529 PolarHBondContact O-N 3.36Å; V525-T529 PolarHBondContact O-OG1 2.94Å
526	S	96.6	Very high	93	Very high	2 Å²	2	33.2 Å²	33.2	1%	0.014	17%	0.172	C	C	.	.	H	α-helix	trans	-67.9	-25.3	177.8	-54.9	0	0	0	0	112.2	Y490 V496 G498 D524 T529 G530	Y490-S526 WeakPolarHBondContact CE1-OG 3.32Å; Y490-S526 PolarHBondContact OH-OG 2.84Å; Y490-S526 VanDerWaalsContact OH-OG 3.05Å; V496-S526 WeakPolarHBondContact CG1-OG 3.46Å; G498-S526 VanDerWaalsContact CA-C 3.48Å; G498-S526 WeakPolarHBondContact CA-O 3.19Å; G498-S526 PolarHBondContact N-O 3.41Å; D524-S526 PolarHBondContact O-N 3.33Å; D524-S526 WeakPolarHBondContact OD1-CA 3.37Å; D524-S526 WeakPolarHBondContact OD1-CB 3.24Å; D524-S526 PolarHBondContact OD1-N 3.41Å; D524-S526 PolarHBondContact OD1-OG 2.93Å; S526-T529 WeakPolarHBondContact CA-OG1 3.11Å; S526-T529 PolarHBondContact O-OG1 3.32Å; S526-G530 WeakPolarHBondContact O-CA 3.39Å; S526-G530 PolarHBondContact O-N 2.67Å
527	V	97.6	Very high	93.5	Very high	1 Å²	1	37.8 Å²	37.8	1%	0.006	19%	0.192	C	C	.	.	H	α-helix	trans	-74	-41.1	170.6	173.2	0	0	0	0	111.5	K502 V503 L506 V522 D524 V525 G530 C531	K502-V527 HydrophobicContact CB-CG1 3.98Å; K502-V527 HydrophobicContact CB-CG2 3.87Å; K502-V527 HydrophobicContact CD-CG2 4.15Å; V503-V527 HydrophobicContact CG2-CB 4.42Å; V503-V527 HydrophobicContact CG2-CG1 4.19Å; V503-V527 HydrophobicContact CG2-CG2 4.43Å; L506-V527 HydrophobicContact CD2-CG1 4.08Å; V522-V527 HydrophobicContact CG1-CB 3.89Å; V522-V527 HydrophobicContact CG1-CG1 3.69Å; D524-V527 HydrophobicContact CB-CB 4.39Å; D524-V527 HydrophobicContact CB-CG2 4.02Å; D524-V527 PolarHBondContact O-N 2.67Å; D524-V527 VanDerWaalsContact O-N 3.14Å; V525-V527 PolarHBondContact O-N 2.64Å; V527-G530 PolarHBondContact O-N 3.37Å; V527-C531 VanDerWaalsContact O-CB 3.31Å; V527-C531 WeakPolarHBondContact O-CB 3.46Å; V527-C531 PolarHBondContact O-N 2.83Å
528	L	97.4	Very high	93.7	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-63.9	-49.2	177.1	-63.1	-170.2	0	0	0	111.9	L479 E482 I483 L506 L519 V522 V525 G530 C531 L532	L479-L528 HydrophobicContact CD2-CB 4.35Å; L479-L528 HydrophobicContact CD2-CD2 3.93Å; E482-L528 HydrophobicContact CB-CD1 4.09Å; E482-L528 HydrophobicContact CG-CD1 3.52Å; I483-L528 HydrophobicContact CD1-CB 4.07Å; I483-L528 HydrophobicContact CG1-CB 3.81Å; I483-L528 HydrophobicContact CG1-CD1 4.13Å; L506-L528 HydrophobicContact CD2-CD2 3.78Å; L519-L528 HydrophobicContact CB-CD2 4.48Å; L519-L528 HydrophobicContact CD2-CD2 4.17Å; V522-L528 HydrophobicContact CB-CD2 4.05Å; V522-L528 HydrophobicContact CG1-CD2 3.88Å; V522-L528 HydrophobicContact CG1-CG 4.39Å; V525-L528 PolarHBondContact O-N 3.11Å; L528-G530 VanDerWaalsContact C-N 3.35Å; L528-C531 WeakPolarHBondContact O-CB 3.18Å; L528-C531 PolarHBondContact O-N 2.83Å; L528-L532 PolarHBondContact O-N 3.39Å
529	T	97.5	Very high	94	Very high	1 Å²	1	40 Å²	40	1%	0.006	20%	0.199	C	C	.	.	H	α-helix	trans	-66.3	-36.9	177.9	54.6	0	0	0	0	112	I483 I493 Y494 V525 S526 L532 K533	I483-T529 HydrophobicContact CD1-CG2 3.84Å; I483-T529 HydrophobicContact CG1-CG2 4.22Å; I483-T529 HydrophobicContact CG2-CG2 4.33Å; I493-T529 HydrophobicContact CD1-CG2 4.29Å; I493-T529 HydrophobicContact CG1-CG2 3.84Å; Y494-T529 HydrophobicContact CD1-CG2 3.84Å; Y494-T529 HydrophobicContact CD2-CG2 4.49Å; Y494-T529 HydrophobicContact CE1-CG2 3.64Å; Y494-T529 HydrophobicContact CE2-CG2 4.32Å; Y494-T529 HydrophobicContact CG-CG2 4.24Å; V525-T529 HydrophobicContact CG1-CG2 4.17Å; V525-T529 WeakPolarHBondContact O-CG2 3.37Å; V525-T529 PolarHBondContact O-N 3.36Å; V525-T529 PolarHBondContact O-OG1 2.94Å; S526-T529 WeakPolarHBondContact CA-OG1 3.11Å; S526-T529 PolarHBondContact O-OG1 3.32Å; T529-L532 PolarHBondContact O-N 3.22Å; T529-K533 WeakPolarHBondContact O-CG 2.89Å; T529-K533 PolarHBondContact O-N 3.05Å; T529-K533 VanDerWaalsContact O-N 3.11Å
530	G	97.5	Very high	94	Very high	11 Å²	11	46.4 Å²	46.4	11%	0.113	23%	0.227	C	C	.	.	H	α-helix	trans	-59.4	-44.3	169.6	0	0	0	0	0	112.6	V503 S526 V527 L528 K533 K534	V503-G530 VanDerWaalsContact CG1-C 3.48Å; S526-G530 WeakPolarHBondContact O-CA 3.39Å; S526-G530 PolarHBondContact O-N 2.67Å; V527-G530 PolarHBondContact O-N 3.37Å; L528-G530 VanDerWaalsContact C-N 3.35Å; G530-K533 PolarHBondContact O-N 2.92Å; G530-K534 VanDerWaalsContact O-CB 3.28Å; G530-K534 WeakPolarHBondContact O-CB 3.42Å; G530-K534 PolarHBondContact O-N 2.99Å
531	C	97.5	Very high	94.3	Very high	0 Å²	0	43 Å²	43	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-64	-43.7	178.6	-172.9	0	0	0	0	111.8	L479 V503 L506 V527 L528 K534 F535	L479-C531 HydrophobicContact CD1-CB 4.11Å; L479-C531 HydrophobicContact CD2-CB 4.41Å; V503-C531 HydrophobicContact CG1-CB 4.36Å; L506-C531 HydrophobicContact CD2-CB 3.93Å; L506-C531 HydrophobicContact CG-CB 4.38Å; V527-C531 VanDerWaalsContact O-CB 3.31Å; V527-C531 WeakPolarHBondContact O-CB 3.46Å; V527-C531 PolarHBondContact O-N 2.83Å; L528-C531 WeakPolarHBondContact O-CB 3.18Å; L528-C531 PolarHBondContact O-N 2.83Å; C531-K534 PolarHBondContact O-N 3.22Å; C531-F535 PolarHBondContact O-N 3.47Å
532	L	97.4	Very high	94.6	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-61.8	-47.3	177.5	-173.8	66.1	0	0	0	111.8	V476 L479 I480 Y494 L528 T529 K534 F535 F536 L587	V476-L532 HydrophobicContact CB-CD1 4.32Å; V476-L532 HydrophobicContact CG1-CD1 4.25Å; V476-L532 HydrophobicContact CG2-CD1 4.08Å; L479-L532 HydrophobicContact CB-CD1 4.36Å; L479-L532 HydrophobicContact CD1-CB 3.98Å; L479-L532 HydrophobicContact CD1-CD1 4.17Å; I480-L532 HydrophobicContact CD1-CD2 4.14Å; I480-L532 HydrophobicContact CG1-CD2 3.76Å; Y494-L532 HydrophobicContact CE1-CD2 4.01Å; Y494-L532 WeakPolarHBondContact OH-CD2 3.41Å; L528-L532 PolarHBondContact O-N 3.39Å; T529-L532 PolarHBondContact O-N 3.22Å; L532-K534 PolarHBondContact O-N 3.45Å; L532-F535 PolarHBondContact O-N 3.23Å; L532-F536 HydrophobicContact CD1-CD2 4.48Å; L532-F536 HydrophobicContact CD1-CE2 3.79Å; L532-F536 HydrophobicContact CG-CD2 4.41Å; L532-F536 HydrophobicContact CG-CE2 3.99Å; L532-F536 VanDerWaalsContact O-CD2 3.23Å; L532-F536 WeakPolarHBondContact O-CD2 3.25Å; L532-F536 PolarHBondContact O-N 3.47Å; L532-L587 HydrophobicContact CD2-CD1 4.3Å
533	K	96.8	Very high	94.7	Very high	32 Å²	32	36.1 Å²	36.1	14%	0.139	18%	0.177	C	C	.	.	H	α-helix	trans	-59.9	-45.7	175.2	-70.2	-177.5	-61.5	176.2	0	111.5	Y494 T529 G530 F535 F536 Q537 I611 F612	Y494-K533 HydrophobicContact CD1-CD 4.2Å; Y494-K533 HydrophobicContact CD1-CG 4.13Å; Y494-K533 PolarHBondContact O-NZ 2.96Å; T529-K533 WeakPolarHBondContact O-CG 2.89Å; T529-K533 PolarHBondContact O-N 3.05Å; T529-K533 VanDerWaalsContact O-N 3.11Å; G530-K533 PolarHBondContact O-N 2.92Å; K533-F535 VanDerWaalsContact C-N 3.34Å; K533-F535 PolarHBondContact O-N 3.11Å; K533-F536 PolarHBondContact O-N 3.35Å; K533-Q537 VanDerWaalsContact O-CG 3.27Å; K533-Q537 WeakPolarHBondContact O-CG 3.43Å; K533-Q537 PolarHBondContact O-N 3.08Å; K533-I611 HydrophobicContact CD-CG2 3.67Å; K533-F612 HydrophobicContact CG-CZ 4.36Å
534	K	95.6	Very high	94.9	Very high	33 Å²	33	29.5 Å²	29.5	14%	0.143	14%	0.141	C	C	.	.	H	α-helix	trans	-65.8	-34.4	-177.5	-161.6	176.9	-163.9	102.1	0	112.6	D500 V503 K504 L507 G530 C531 L532 Q537 Q538	D500-K534 IonicContact OD1-NZ 3.77Å; D500-K534 PolarHBondContact OD1-NZ 3.26Å; V503-K534 HydrophobicContact CG1-CB 4.15Å; V503-K534 HydrophobicContact CG1-CD 3.68Å; K504-K534 HydrophobicContact CG-CD 4.48Å; L507-K534 HydrophobicContact CD2-CB 4.07Å; L507-K534 HydrophobicContact CD2-CD 3.99Å; L507-K534 HydrophobicContact CD2-CG 3.83Å; G530-K534 VanDerWaalsContact O-CB 3.28Å; G530-K534 WeakPolarHBondContact O-CB 3.42Å; G530-K534 PolarHBondContact O-N 2.99Å; C531-K534 PolarHBondContact O-N 3.22Å; L532-K534 PolarHBondContact O-N 3.45Å; K534-Q537 PolarHBondContact O-N 3.03Å; K534-Q538 HydrophobicContact CG-CG 4.42Å; K534-Q538 WeakPolarHBondContact O-CB 3.37Å; K534-Q538 WeakPolarHBondContact O-CG 3.35Å; K534-Q538 PolarHBondContact O-N 2.93Å
535	F	96	Very high	94.7	Very high	5 Å²	5	27.9 Å²	27.9	2%	0.022	13%	0.133	C	C	.	.	H	α-helix	trans	-58.2	-51.2	172.1	171.1	-106.5	0	0	0	111.6	L461 Y464 P473 I475 V476 L507 L511 C531 L532 K533 Q538 L539	L461-F535 HydrophobicContact CD1-CE1 4.49Å; L461-F535 HydrophobicContact CD1-CZ 4.41Å; Y464-F535 HydrophobicContact CD1-CE2 4.37Å; Y464-F535 AromaticContact CD2-CE2 3.91Å; Y464-F535 HydrophobicContact CD2-CE2 3.91Å; Y464-F535 HydrophobicContact CD2-CZ 4.04Å; Y464-F535 HydrophobicContact CE2-CE2 4.25Å; Y464-F535 AromaticContact CG-CE2 3.97Å; Y464-F535 HydrophobicContact CG-CE2 3.97Å; Y464-F535 HydrophobicContact CG-CZ 4.15Å; P473-F535 HydrophobicContact CB-CE1 4.25Å; P473-F535 HydrophobicContact CB-CZ 3.98Å; P473-F535 HydrophobicContact CG-CE1 4.1Å; P473-F535 HydrophobicContact CG-CZ 3.95Å; I475-F535 HydrophobicContact CD1-CB 4.06Å; I475-F535 HydrophobicContact CD1-CD2 3.94Å; I475-F535 HydrophobicContact CD1-CG 4.05Å; I475-F535 HydrophobicContact CG2-CD1 4.17Å; I475-F535 HydrophobicContact CG2-CD2 3.94Å; I475-F535 HydrophobicContact CG2-CE1 4Å; I475-F535 HydrophobicContact CG2-CE2 3.76Å; I475-F535 HydrophobicContact CG2-CG 4.14Å; I475-F535 HydrophobicContact CG2-CZ 3.79Å; V476-F535 HydrophobicContact CG2-CD1 3.89Å; V476-F535 HydrophobicContact CG2-CE1 3.67Å; L507-F535 HydrophobicContact CD1-CB 4.03Å; L507-F535 HydrophobicContact CD1-CD2 4.35Å; L511-F535 HydrophobicContact CD2-CD2 4.43Å; L511-F535 HydrophobicContact CD2-CE2 4.45Å; C531-F535 PolarHBondContact O-N 3.47Å; L532-F535 PolarHBondContact O-N 3.23Å; K533-F535 VanDerWaalsContact C-N 3.34Å; K533-F535 PolarHBondContact O-N 3.11Å; F535-Q538 PolarHBondContact O-N 3.47Å; F535-L539 HydrophobicContact CE2-CD2 4.34Å; F535-L539 HydrophobicContact CZ-CD2 4.19Å; F535-L539 PolarHBondContact O-N 2.93Å
536	F	96.2	Very high	94.5	Very high	2 Å²	2	33.7 Å²	33.7	1%	0.009	16%	0.155	C	C	.	.	H	α-helix	trans	-64.4	-40.6	178	-70.2	-62.8	0	0	0	112.7	V476 L532 K533 Q538 L539 L543 T583 L587 T615	V476-F536 HydrophobicContact CG1-CZ 4.37Å; V476-F536 HydrophobicContact CG2-CE1 4.32Å; V476-F536 HydrophobicContact CG2-CE2 4.37Å; V476-F536 HydrophobicContact CG2-CZ 3.75Å; L532-F536 HydrophobicContact CD1-CD2 4.48Å; L532-F536 HydrophobicContact CD1-CE2 3.79Å; L532-F536 HydrophobicContact CG-CD2 4.41Å; L532-F536 HydrophobicContact CG-CE2 3.99Å; L532-F536 VanDerWaalsContact O-CD2 3.23Å; L532-F536 WeakPolarHBondContact O-CD2 3.25Å; L532-F536 PolarHBondContact O-N 3.47Å; K533-F536 PolarHBondContact O-N 3.35Å; F536-Q538 VanDerWaalsContact C-N 3.27Å; F536-Q538 PolarHBondContact O-N 2.98Å; F536-L539 HydrophobicContact CD1-CD1 4.05Å; F536-L539 WeakPolarHBondContact O-CB 3.46Å; F536-L539 PolarHBondContact O-N 3.2Å; F536-L543 HydrophobicContact CD1-CB 4.24Å; F536-L543 HydrophobicContact CD1-CD2 4.16Å; F536-L543 HydrophobicContact CE1-CD1 4.19Å; F536-L543 HydrophobicContact CE1-CD2 3.81Å; F536-L543 HydrophobicContact CE1-CG 4.42Å; F536-L543 HydrophobicContact CZ-CD2 4.33Å; F536-T583 HydrophobicContact CE1-CG2 3.69Å; F536-T583 HydrophobicContact CZ-CG2 3.9Å; F536-L587 HydrophobicContact CD2-CD2 4.48Å; F536-L587 HydrophobicContact CE2-CD1 4.19Å; F536-L587 HydrophobicContact CE2-CD2 3.9Å; F536-L587 HydrophobicContact CZ-CD2 4.06Å; F536-T615 HydrophobicContact CB-CG2 3.82Å
537	Q	93.7	Very high	94.1	Very high	117 Å²	117	39.8 Å²	39.8	55%	0.547	19%	0.192	S	C	.	.	H	α-helix	trans	-66.5	-24	177.7	-70.5	168.1	-9.4	0	0	114	K533 K534 T615	K533-Q537 VanDerWaalsContact O-CG 3.27Å; K533-Q537 WeakPolarHBondContact O-CG 3.43Å; K533-Q537 PolarHBondContact O-N 3.08Å; K534-Q537 PolarHBondContact O-N 3.03Å; Q537-T615 HydrophobicContact CG-CG2 4.2Å; Q537-T615 PolarHBondContact NE2-OG1 2.87Å
538	Q	91.7	Very high	93.7	Very high	109 Å²	109	40.7 Å²	40.7	51%	0.509	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.7	-0.3	177.6	-74.5	-171.7	-11.4	0	0	113.8	K534 F535 F536	K534-Q538 HydrophobicContact CG-CG 4.42Å; K534-Q538 WeakPolarHBondContact O-CB 3.37Å; K534-Q538 WeakPolarHBondContact O-CG 3.35Å; K534-Q538 PolarHBondContact O-N 2.93Å; F535-Q538 PolarHBondContact O-N 3.47Å; F536-Q538 VanDerWaalsContact C-N 3.27Å; F536-Q538 PolarHBondContact O-N 2.98Å
539	L	92.6	Very high	93.3	Very high	15 Å²	15	41.9 Å²	41.9	8%	0.079	20%	0.203	C	C	.	.	S	Bend	trans	-67.1	138.5	171.3	-61.6	176	0	0	0	110	G459 L461 Y464 F535 F536 E541	G459-L539 CarbonylContact O-C 3.52Å; G459-L539 WeakPolarHBondContact O-CA 3.48Å; L461-L539 HydrophobicContact CB-CD1 4.33Å; L461-L539 HydrophobicContact CD1-CD1 4.2Å; Y464-L539 HydrophobicContact CD2-CD2 4.04Å; Y464-L539 HydrophobicContact CE2-CD2 3.85Å; F535-L539 HydrophobicContact CE2-CD2 4.34Å; F535-L539 HydrophobicContact CZ-CD2 4.19Å; F535-L539 PolarHBondContact O-N 2.93Å; F536-L539 HydrophobicContact CD1-CD1 4.05Å; F536-L539 WeakPolarHBondContact O-CB 3.46Å; F536-L539 PolarHBondContact O-N 3.2Å; L539-E541 WeakPolarHBondContact CB-O 3.49Å; L539-E541 PolarHBondContact O-N 3.06Å
540	K	90	Very high	92.8	Very high	147 Å²	147	43.9 Å²	43.9	64%	0.639	22%	0.224	S	C	*	.	S	Bend	trans	-61.3	-29.9	178.7	179.7	171.5	-179.3	173.6	0	112.6	G459	G459-K540 PolarHBondContact O-N 3.33Å
541	E	89.9	Confident	92.3	Very high	80 Å²	80	46.7 Å²	46.7	37%	0.374	23%	0.234	S	C	.	.	S	Bend	trans	-127.1	136.5	169.6	-71.9	157.6	175.7	0	0	106.4	K460 L539	K460-E541 IonicContact NZ-OE1 2.64Å; K460-E541 PolarHBondContact NZ-OE1 3.44Å; K460-E541 IonicContact NZ-OE2 2.95Å; K460-E541 PolarHBondContact NZ-OE2 3.04Å; L539-E541 WeakPolarHBondContact CB-O 3.49Å; L539-E541 PolarHBondContact O-N 3.06Å
542	P	93.5	Very high	91.9	Very high	9 Å²	9	46.7 Å²	46.7	6%	0.058	23%	0.234	C	C	.	.			trans	-60.9	162.1	178.5	23.7	-32.2	0	0	0	111.9	I544 Y546	P542-I544 VanDerWaalsContact C-N 3.25Å; P542-I544 WeakPolarHBondContact CG-O 3.48Å; P542-I544 CarbonylContact O-C 3.53Å; P542-I544 PolarHBondContact O-N 3.41Å; P542-Y546 HydrophobicContact CG-CD1 4.17Å; P542-Y546 HydrophobicContact CG-CD2 4.2Å; P542-Y546 HydrophobicContact CG-CE1 3.82Å; P542-Y546 HydrophobicContact CG-CE2 3.86Å; P542-Y546 HydrophobicContact CG-CG 4.34Å
543	L	93.8	Very high	91.5	Very high	1 Å²	1	47.9 Å²	47.9	1%	0.005	24%	0.239	C	C	.	.	S	Bend	trans	-53.3	-42.6	-174.6	177	59.4	0	0	0	112.4	L461 F536 P545 S580 T583 L584 L587 I616	L461-L543 HydrophobicContact CD2-CD1 3.65Å; F536-L543 HydrophobicContact CD1-CB 4.24Å; F536-L543 HydrophobicContact CD1-CD2 4.16Å; F536-L543 HydrophobicContact CE1-CD1 4.19Å; F536-L543 HydrophobicContact CE1-CD2 3.81Å; F536-L543 HydrophobicContact CE1-CG 4.42Å; F536-L543 HydrophobicContact CZ-CD2 4.33Å; L543-P545 WeakPolarHBondContact O-CD 3.35Å; L543-S580 WeakPolarHBondContact O-CB 3.48Å; L543-S580 PolarHBondContact O-OG 3.25Å; L543-T583 HydrophobicContact CD1-CG2 3.91Å; L543-L584 HydrophobicContact CD2-CB 4.12Å; L543-L584 HydrophobicContact CD2-CD1 3.92Å; L543-L584 HydrophobicContact CG-CB 4.3Å; L543-L584 HydrophobicContact CG-CD1 4.46Å; L543-L587 HydrophobicContact CD2-CD2 3.95Å; L543-I616 HydrophobicContact CB-CB 4.14Å; L543-I616 HydrophobicContact CD2-CB 4.27Å; L543-I616 HydrophobicContact CD2-CG2 4.05Å; L543-I616 PolarHBondContact N-O 3.32Å
544	I	92.1	Very high	91.1	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	25%	0.253	C	S	.	.	S	Bend	trans	-92	107.2	162.4	-63.5	172.3	0	0	0	106.6	P542 F552 L576 L584 I616 L617 M643	P542-I544 VanDerWaalsContact C-N 3.25Å; P542-I544 WeakPolarHBondContact CG-O 3.48Å; P542-I544 CarbonylContact O-C 3.53Å; P542-I544 PolarHBondContact O-N 3.41Å; I544-F552 HydrophobicContact CD1-CD1 4.26Å; I544-F552 HydrophobicContact CD1-CE1 4.09Å; I544-F552 HydrophobicContact CD1-CE2 4.48Å; I544-F552 HydrophobicContact CD1-CZ 4.21Å; I544-F552 HydrophobicContact CG2-CD2 3.64Å; I544-F552 HydrophobicContact CG2-CE2 3.73Å; I544-F552 HydrophobicContact CG2-CG 4.32Å; I544-F552 HydrophobicContact CG2-CZ 4.45Å; I544-L576 HydrophobicContact CG1-CD1 4.38Å; I544-L576 HydrophobicContact CG2-CD2 4.3Å; I544-L584 HydrophobicContact CD1-CD1 4.48Å; I544-L584 HydrophobicContact CD1-CD2 4.21Å; I544-L584 HydrophobicContact CG1-CD2 4.07Å; I544-I616 HydrophobicContact CD1-CD1 4.33Å; I544-I616 HydrophobicContact CD1-CG1 4.29Å; I544-I616 PolarHBondContact N-O 2.88Å; I544-L617 HydrophobicContact CB-CD2 3.91Å; I544-L617 HydrophobicContact CD1-CD2 3.72Å; I544-L617 HydrophobicContact CD1-CG 4.08Å; I544-L617 HydrophobicContact CG1-CD2 4.41Å; I544-L617 HydrophobicContact CG2-CD2 3.72Å; I544-M643 HydrophobicContact CD1-CE 4.08Å; I544-M643 HydrophobicContact CD1-SD 4.31Å
545	P	90.8	Very high	90.6	Very high	13 Å²	13	50.4 Å²	50.4	8%	0.084	25%	0.248	C	C	.	.			trans	-62.6	150.8	-174.5	-23.3	35.1	0	0	0	112.2	L543 T547 S548 R549 P577	L543-P545 WeakPolarHBondContact O-CD 3.35Å; P545-T547 PolarHBondContact O-N 3.4Å; P545-S548 PolarHBondContact O-N 2.97Å; P545-R549 PolarHBondContact O-N 3.08Å; P545-R549 VanDerWaalsContact O-N 3.07Å; P545-P577 HydrophobicContact CG-CG 4.46Å
546	Y	90.1	Very high	90	Very high	129 Å²	129	50.1 Å²	50.1	51%	0.506	25%	0.247	S	C	.	.	H	α-helix	trans	-54	-30.1	179	-64	-64.2	0	0	0	113.6	P542 S548 R549	P542-Y546 HydrophobicContact CG-CD1 4.17Å; P542-Y546 HydrophobicContact CG-CD2 4.2Å; P542-Y546 HydrophobicContact CG-CE1 3.82Å; P542-Y546 HydrophobicContact CG-CE2 3.86Å; P542-Y546 HydrophobicContact CG-CG 4.34Å; Y546-S548 VanDerWaalsContact C-N 3.3Å; Y546-S548 PolarHBondContact O-N 2.96Å; Y546-R549 WeakPolarHBondContact O-CB 3.25Å; Y546-R549 PolarHBondContact O-N 3.33Å
547	T	87.8	Confident	89.4	Confident	130 Å²	130	52.6 Å²	52.6	80%	0.798	26%	0.262	S	S	*	.	H	α-helix	trans	-66.6	-25.9	175.3	52.2	0	0	0	0	114.2	P545	P545-T547 PolarHBondContact O-N 3.4Å
548	S	88.9	Confident	88.6	Confident	21 Å²	21	50.3 Å²	50.3	15%	0.147	25%	0.251	C	S	.	.	H	α-helix	trans	-98.9	-21.3	178.1	-56.4	0	0	0	0	112.2	P545 Y546 G550 E551 F552	P545-S548 PolarHBondContact O-N 2.97Å; Y546-S548 VanDerWaalsContact C-N 3.3Å; Y546-S548 PolarHBondContact O-N 2.96Å; S548-G550 PolarHBondContact O-N 2.95Å; S548-G550 VanDerWaalsContact O-N 3.12Å; S548-E551 WeakPolarHBondContact O-CB 3.05Å; S548-E551 PolarHBondContact O-N 3.11Å; S548-F552 WeakPolarHBondContact O-CD2 3.43Å; S548-F552 PolarHBondContact O-N 3.29Å
549	R	89	Confident	87.3	Confident	25 Å²	25	53.6 Å²	53.6	9%	0.094	27%	0.272	C	S	.	.	H	α-helix	trans	-51.3	-37.1	-176.3	-168	-178.5	-165.3	-137.3	5	113.9	P545 Y546 E551 F552 F553 L617 E632	P545-R549 PolarHBondContact O-N 3.08Å; P545-R549 VanDerWaalsContact O-N 3.07Å; Y546-R549 WeakPolarHBondContact O-CB 3.25Å; Y546-R549 PolarHBondContact O-N 3.33Å; R549-E551 PolarHBondContact O-N 3.16Å; R549-F552 PolarHBondContact O-N 3.29Å; R549-F553 HydrophobicContact CG-CD2 4.23Å; R549-F553 HydrophobicContact CG-CE1 4.27Å; R549-F553 HydrophobicContact CG-CE2 3.92Å; R549-F553 HydrophobicContact CG-CZ 3.95Å; R549-F553 WeakPolarHBondContact O-CG 3.42Å; R549-F553 PolarHBondContact O-N 3.42Å; R549-L617 HydrophobicContact CG-CD2 4.05Å; R549-L617 PolarHBondContact NE-O 3.23Å; R549-E632 VanDerWaalsContact CZ-CD 3.5Å; R549-E632 IonicContact CZ-OE1 2.66Å; R549-E632 IonicContact CZ-OE2 3.57Å; R549-E632 IonicContact NH1-OE1 2.8Å; R549-E632 PolarHBondContact NH1-OE1 2.82Å; R549-E632 IonicContact NH1-OE2 3.93Å; R549-E632 PolarHBondContact NH1-OE2 2.68Å; R549-E632 IonicContact NH2-OE1 3.43Å; R549-E632 PolarHBondContact NH2-OE1 3.34Å; R549-E632 IonicContact NH2-OE2 2.66Å
550	G	87.2	Confident	86	Confident	42 Å²	42	54.7 Å²	54.7	43%	0.433	28%	0.281	S	S	.	.	H	α-helix	trans	-62.9	-37.2	177.9	0	0	0	0	0	113.8	S548 R554	S548-G550 PolarHBondContact O-N 2.95Å; S548-G550 VanDerWaalsContact O-N 3.12Å; G550-R554 VanDerWaalsContact O-CB 3.3Å; G550-R554 WeakPolarHBondContact O-CB 3.4Å; G550-R554 PolarHBondContact O-N 2.86Å
551	E	87.5	Confident	84.8	Confident	71 Å²	71	52.6 Å²	52.6	33%	0.332	28%	0.277	S	S	.	.	H	α-helix	trans	-67.9	-44.7	177.2	-59.6	-58.5	113.9	0	0	111	S548 R549 R554 A555 A572	S548-E551 WeakPolarHBondContact O-CB 3.05Å; S548-E551 PolarHBondContact O-N 3.11Å; R549-E551 PolarHBondContact O-N 3.16Å; E551-R554 VanDerWaalsContact CD-NH1 3.34Å; E551-R554 PolarHBondContact O-N 3.2Å; E551-R554 IonicContact OE1-CZ 2.69Å; E551-R554 IonicContact OE1-NH1 3.89Å; E551-R554 PolarHBondContact OE1-NH1 3.48Å; E551-R554 IonicContact OE1-NH2 3.44Å; E551-R554 IonicContact OE2-CZ 3.92Å; E551-R554 IonicContact OE2-NH1 2.67Å; E551-R554 PolarHBondContact OE2-NH1 3.24Å; E551-R554 IonicContact OE2-NH2 2.87Å; E551-R554 PolarHBondContact OE2-NH2 3.17Å; E551-A555 VanDerWaalsContact O-CB 3.24Å; E551-A555 WeakPolarHBondContact O-CB 3.22Å; E551-A555 PolarHBondContact O-N 3.22Å; E551-A572 HydrophobicContact CB-CB 4.09Å
552	F	88.9	Confident	83.4	Confident	0 Å²	0	52.3 Å²	52.3	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-61.6	-47.4	174.8	-78.2	-89.9	0	0	0	112.2	I544 S548 R549 A555 A556 A572 I573 L576 V639 M643	I544-F552 HydrophobicContact CD1-CD1 4.26Å; I544-F552 HydrophobicContact CD1-CE1 4.09Å; I544-F552 HydrophobicContact CD1-CE2 4.48Å; I544-F552 HydrophobicContact CD1-CZ 4.21Å; I544-F552 HydrophobicContact CG2-CD2 3.64Å; I544-F552 HydrophobicContact CG2-CE2 3.73Å; I544-F552 HydrophobicContact CG2-CG 4.32Å; I544-F552 HydrophobicContact CG2-CZ 4.45Å; S548-F552 WeakPolarHBondContact O-CD2 3.43Å; S548-F552 PolarHBondContact O-N 3.29Å; R549-F552 PolarHBondContact O-N 3.29Å; F552-A555 PolarHBondContact O-N 2.75Å; F552-A556 WeakPolarHBondContact O-CB 3.38Å; F552-A556 PolarHBondContact O-N 3.42Å; F552-A572 HydrophobicContact CD1-CB 4.28Å; F552-A572 HydrophobicContact CD2-CB 3.87Å; F552-A572 HydrophobicContact CE1-CB 4.14Å; F552-A572 HydrophobicContact CE2-CB 3.69Å; F552-A572 HydrophobicContact CG-CB 4.16Å; F552-A572 HydrophobicContact CZ-CB 3.84Å; F552-I573 HydrophobicContact CE1-CD1 4.49Å; F552-I573 HydrophobicContact CE1-CG1 3.57Å; F552-I573 HydrophobicContact CZ-CB 4.4Å; F552-I573 HydrophobicContact CZ-CG1 3.7Å; F552-L576 HydrophobicContact CE2-CD1 4.26Å; F552-L576 HydrophobicContact CE2-CD2 4Å; F552-L576 HydrophobicContact CE2-CG 4.1Å; F552-L576 HydrophobicContact CZ-CD1 3.87Å; F552-L576 HydrophobicContact CZ-CD2 4.44Å; F552-L576 HydrophobicContact CZ-CG 4.12Å; F552-V639 HydrophobicContact CB-CG1 4.06Å; F552-V639 HydrophobicContact CB-CG2 4.1Å; F552-V639 HydrophobicContact CD1-CG1 3.88Å; F552-V639 HydrophobicContact CG-CG1 4.37Å; F552-V639 WeakPolarHBondContact O-CG2 3.35Å; F552-M643 HydrophobicContact CD1-SD 3.69Å; F552-M643 HydrophobicContact CE1-CE 4.19Å; F552-M643 HydrophobicContact CE1-SD 3.58Å; F552-M643 VanDerWaalsContact CE1-SD 3.58Å
553	F	90.5	Very high	81.5	Confident	24 Å²	24	53.3 Å²	53.3	11%	0.105	28%	0.283	C	S	.	.	H	α-helix	trans	-60.3	-47.8	176.4	-76.5	-8.7	0	0	0	111.5	R549 A555 A556 T557 L617 E632 K635 Q636 V639	R549-F553 HydrophobicContact CG-CD2 4.23Å; R549-F553 HydrophobicContact CG-CE1 4.27Å; R549-F553 HydrophobicContact CG-CE2 3.92Å; R549-F553 HydrophobicContact CG-CZ 3.95Å; R549-F553 WeakPolarHBondContact O-CG 3.42Å; R549-F553 PolarHBondContact O-N 3.42Å; F553-A555 PolarHBondContact O-N 2.78Å; F553-A556 PolarHBondContact O-N 3.36Å; F553-T557 WeakPolarHBondContact O-CB 3.49Å; F553-T557 WeakPolarHBondContact O-CG2 3.31Å; F553-T557 PolarHBondContact O-N 2.9Å; F553-T557 PolarHBondContact O-OG1 2.78Å; F553-L617 HydrophobicContact CE1-CD1 4.42Å; F553-E632 HydrophobicContact CE2-CG 3.93Å; F553-E632 HydrophobicContact CZ-CG 3.84Å; F553-K635 HydrophobicContact CD1-CB 3.86Å; F553-K635 HydrophobicContact CD2-CD 4.41Å; F553-K635 HydrophobicContact CE1-CB 3.85Å; F553-K635 HydrophobicContact CG-CB 4.26Å; F553-K635 HydrophobicContact CG-CD 4.47Å; F553-K635 HydrophobicContact CZ-CB 4.24Å; F553-Q636 HydrophobicContact CE1-CG 3.74Å; F553-Q636 HydrophobicContact CZ-CG 3.78Å; F553-V639 HydrophobicContact CD1-CG2 3.89Å; F553-V639 HydrophobicContact CE1-CG2 4.46Å
554	R	88.3	Confident	80.1	Confident	115 Å²	115	55.8 Å²	55.8	43%	0.434	30%	0.298	S	S	.	.	H	α-helix	trans	-59	-48.4	178.1	-171.3	170.1	78.2	-109.1	-3.8	111.1	G550 E551 A556 T557 E558	G550-R554 VanDerWaalsContact O-CB 3.3Å; G550-R554 WeakPolarHBondContact O-CB 3.4Å; G550-R554 PolarHBondContact O-N 2.86Å; E551-R554 VanDerWaalsContact CD-NH1 3.34Å; E551-R554 PolarHBondContact O-N 3.2Å; E551-R554 IonicContact OE1-CZ 2.69Å; E551-R554 IonicContact OE1-NH1 3.89Å; E551-R554 PolarHBondContact OE1-NH1 3.48Å; E551-R554 IonicContact OE1-NH2 3.44Å; E551-R554 IonicContact OE2-CZ 3.92Å; E551-R554 IonicContact OE2-NH1 2.67Å; E551-R554 PolarHBondContact OE2-NH1 3.24Å; E551-R554 IonicContact OE2-NH2 2.87Å; E551-R554 PolarHBondContact OE2-NH2 3.17Å; R554-A556 VanDerWaalsContact C-N 3.35Å; R554-A556 PolarHBondContact O-N 2.95Å; R554-T557 PolarHBondContact O-N 3.15Å; R554-E558 WeakPolarHBondContact CD-OE1 3.31Å; R554-E558 VanDerWaalsContact CG-CD 3.44Å; R554-E558 HydrophobicContact CG-CG 3.89Å; R554-E558 WeakPolarHBondContact CG-OE1 3.23Å; R554-E558 IonicContact NE-OE1 3.62Å; R554-E558 WeakPolarHBondContact O-CB 3.27Å; R554-E558 WeakPolarHBondContact O-CG 3.44Å; R554-E558 PolarHBondContact O-N 3.09Å
555	A	84.6	Confident	78.8	Confident	3 Å²	3	56.9 Å²	56.9	3%	0.025	30%	0.304	C	S	.	.	H	α-helix	trans	-56.3	-44.7	178	0	0	0	0	0	112.9	E551 F552 F553 Q565 K568 I569	E551-A555 VanDerWaalsContact O-CB 3.24Å; E551-A555 WeakPolarHBondContact O-CB 3.22Å; E551-A555 PolarHBondContact O-N 3.22Å; F552-A555 PolarHBondContact O-N 2.75Å; F553-A555 PolarHBondContact O-N 2.78Å; A555-Q565 VanDerWaalsContact O-CG 3.29Å; A555-Q565 WeakPolarHBondContact O-CG 3.47Å; A555-Q565 PolarHBondContact O-NE2 3.15Å; A555-K568 HydrophobicContact CB-CB 3.48Å; A555-K568 VanDerWaalsContact CB-CB 3.48Å; A555-I569 HydrophobicContact CB-CG1 3.58Å
556	A	83.5	Confident	77.4	Confident	0 Å²	0	57.8 Å²	57.8	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-85.5	-0.3	-178	0	0	0	0	0	115.5	F552 F553 R554 Q565 I569 K638 V639	F552-A556 WeakPolarHBondContact O-CB 3.38Å; F552-A556 PolarHBondContact O-N 3.42Å; F553-A556 PolarHBondContact O-N 3.36Å; R554-A556 VanDerWaalsContact C-N 3.35Å; R554-A556 PolarHBondContact O-N 2.95Å; A556-Q565 PolarHBondContact O-NE2 2.71Å; A556-I569 HydrophobicContact CB-CD1 4.15Å; A556-K638 HydrophobicContact CB-CB 4.34Å; A556-V639 HydrophobicContact CB-CB 4.29Å; A556-V639 HydrophobicContact CB-CG2 3.45Å; A556-V639 VanDerWaalsContact CB-CG2 3.45Å
557	T	82.6	Confident	76	Confident	53 Å²	53	55.6 Å²	55.6	33%	0.325	30%	0.301	S	S	.	.	H	α-helix	trans	-126.2	-17.2	-179.9	64.3	0	0	0	0	115.4	F553 R554 N559 K635	F553-T557 WeakPolarHBondContact O-CB 3.49Å; F553-T557 WeakPolarHBondContact O-CG2 3.31Å; F553-T557 PolarHBondContact O-N 2.9Å; F553-T557 PolarHBondContact O-OG1 2.78Å; R554-T557 PolarHBondContact O-N 3.15Å; T557-N559 PolarHBondContact O-N 2.76Å; T557-K635 HydrophobicContact CG2-CB 4.36Å; T557-K635 HydrophobicContact CG2-CD 4.12Å; T557-K635 HydrophobicContact CG2-CG 3.72Å
558	E	78.5	Confident	75.5	Confident	70 Å²	70	52.3 Å²	52.3	33%	0.327	28%	0.276	S	S	.	.	S	Bend	trans	-62.2	133.7	171.9	-79.5	176.6	169.9	0	0	110.4	R554 S560 Q565 K568	R554-E558 WeakPolarHBondContact CD-OE1 3.31Å; R554-E558 VanDerWaalsContact CG-CD 3.44Å; R554-E558 HydrophobicContact CG-CG 3.89Å; R554-E558 WeakPolarHBondContact CG-OE1 3.23Å; R554-E558 IonicContact NE-OE1 3.62Å; R554-E558 WeakPolarHBondContact O-CB 3.27Å; R554-E558 WeakPolarHBondContact O-CG 3.44Å; R554-E558 PolarHBondContact O-N 3.09Å; E558-S560 PolarHBondContact O-N 2.91Å; E558-Q565 PolarHBondContact O-NE2 3.08Å; E558-K568 WeakPolarHBondContact OE2-CE 3.3Å; E558-K568 IonicContact OE2-NZ 3.91Å; E558-K568 PolarHBondContact OE2-NZ 3.17Å
559	N	64	Low	75	Confident	178 Å²	178	51.6 Å²	51.6	95%	0.952	27%	0.27	S	S	*	.			trans	-73.6	67.6	172.4	-71.7	-19.1	0	0	0	109.9	T557	T557-N559 PolarHBondContact O-N 2.76Å
560	S	63.8	Low	74	Confident	38 Å²	38	53.3 Å²	53.3	27%	0.266	28%	0.28	S	S	.	.	S	Bend	trans	-110.6	163.5	167.8	55.4	0	0	0	0	110.2	E558 K568	E558-S560 PolarHBondContact O-N 2.91Å; S560-K568 PolarHBondContact OG-NZ 3.34Å
561	D	65.2	Low	73.3	Confident	103 Å²	103	56.2 Å²	56.2	55%	0.551	28%	0.282	S	S	*	.			trans	-48.1	144	168.2	-170.7	-75.2	0	0	0	111.2	T563 V564 Q565	D561-T563 PolarHBondContact O-N 3.18Å; D561-T563 VanDerWaalsContact O-N 3.17Å; D561-T563 WeakPolarHBondContact OD1-CB 3.47Å; D561-T563 PolarHBondContact OD1-N 3.31Å; D561-T563 PolarHBondContact OD1-OG1 2.96Å; D561-V564 HydrophobicContact CB-CG2 4.31Å; D561-V564 WeakPolarHBondContact O-CB 3.2Å; D561-V564 PolarHBondContact O-N 3.06Å; D561-Q565 PolarHBondContact O-N 2.92Å
562	L	61.7	Low	73	Confident	73 Å²	73	53.1 Å²	53.1	38%	0.382	27%	0.268	S	S	.	.	H	α-helix	trans	-53	-38.1	-179.9	-170.2	69	0	0	0	111.3	V564 Q565 M566 E642	L562-V564 VanDerWaalsContact C-N 3.34Å; L562-V564 PolarHBondContact O-N 3.44Å; L562-Q565 WeakPolarHBondContact O-CB 3.36Å; L562-Q565 PolarHBondContact O-N 3.2Å; L562-M566 HydrophobicContact CG-CG 4.44Å; L562-M566 HydrophobicContact CG-SD 4.3Å; L562-M566 WeakPolarHBondContact O-CB 3.36Å; L562-M566 WeakPolarHBondContact O-CG 3.06Å; L562-M566 PolarHBondContact O-N 3.48Å; L562-E642 VanDerWaalsContact CD1-OE2 3.25Å; L562-E642 WeakPolarHBondContact CD1-OE2 3.49Å
563	T	51.9	Low	72.4	Confident	30 Å²	30	54 Å²	54	18%	0.184	27%	0.273	C	S	.	.	H	α-helix	trans	-53.3	-49.5	173.2	-48.5	0	0	0	0	112.1	D561 M566 Q567 N650	D561-T563 PolarHBondContact O-N 3.18Å; D561-T563 VanDerWaalsContact O-N 3.17Å; D561-T563 WeakPolarHBondContact OD1-CB 3.47Å; D561-T563 PolarHBondContact OD1-N 3.31Å; D561-T563 PolarHBondContact OD1-OG1 2.96Å; T563-M566 PolarHBondContact O-N 3.09Å; T563-Q567 WeakPolarHBondContact O-CB 3.31Å; T563-Q567 WeakPolarHBondContact O-CG 3.48Å; T563-Q567 PolarHBondContact O-N 3.4Å; T563-N650 HydrophobicContact CG2-CB 3.5Å; T563-N650 VanDerWaalsContact CG2-CB 3.5Å; T563-N650 WeakPolarHBondContact OG1-CB 3.33Å
564	V	65	Low	71.4	Confident	53 Å²	53	53.6 Å²	53.6	32%	0.321	27%	0.272	S	S	.	.	H	α-helix	trans	-73	-34.6	-175.8	175.4	0	0	0	0	110.4	D561 L562 K568	D561-V564 HydrophobicContact CB-CG2 4.31Å; D561-V564 WeakPolarHBondContact O-CB 3.2Å; D561-V564 PolarHBondContact O-N 3.06Å; L562-V564 VanDerWaalsContact C-N 3.34Å; L562-V564 PolarHBondContact O-N 3.44Å; V564-K568 HydrophobicContact CG1-CD 4.2Å; V564-K568 VanDerWaalsContact CG1-CE 3.47Å; V564-K568 WeakPolarHBondContact O-CB 3.37Å; V564-K568 WeakPolarHBondContact O-CD 3.33Å; V564-K568 WeakPolarHBondContact O-CG 3.45Å; V564-K568 PolarHBondContact O-N 3.11Å
565	Q	64.7	Low	71	Confident	24 Å²	24	53.4 Å²	53.4	11%	0.112	28%	0.276	C	S	.	.	H	α-helix	trans	-62.1	-50.8	171.6	170	146.7	94.8	0	0	111.2	A555 A556 E558 D561 L562 Q567 K568 I569 E642	A555-Q565 VanDerWaalsContact O-CG 3.29Å; A555-Q565 WeakPolarHBondContact O-CG 3.47Å; A555-Q565 PolarHBondContact O-NE2 3.15Å; A556-Q565 PolarHBondContact O-NE2 2.71Å; E558-Q565 PolarHBondContact O-NE2 3.08Å; D561-Q565 PolarHBondContact O-N 2.92Å; L562-Q565 WeakPolarHBondContact O-CB 3.36Å; L562-Q565 PolarHBondContact O-N 3.2Å; Q565-Q567 PolarHBondContact O-N 3.46Å; Q565-K568 PolarHBondContact O-N 2.76Å; Q565-I569 HydrophobicContact CG-CD1 4.26Å; Q565-I569 WeakPolarHBondContact O-CG1 3.35Å; Q565-I569 PolarHBondContact O-N 3.45Å; Q565-E642 HydrophobicContact CG-CG 4.4Å
566	M	61.6	Low	70.9	Confident	31 Å²	31	53.6 Å²	53.6	15%	0.153	28%	0.277	C	S	.	.	H	α-helix	trans	-64.7	-38.3	177.3	-66.9	-172.2	91.9	0	0	112.5	L562 T563 I569 H570 D648	L562-M566 HydrophobicContact CG-CG 4.44Å; L562-M566 HydrophobicContact CG-SD 4.3Å; L562-M566 WeakPolarHBondContact O-CB 3.36Å; L562-M566 WeakPolarHBondContact O-CG 3.06Å; L562-M566 PolarHBondContact O-N 3.48Å; T563-M566 PolarHBondContact O-N 3.09Å; M566-I569 PolarHBondContact O-N 3.26Å; M566-H570 WeakPolarHBondContact O-CB 3.49Å; M566-H570 PolarHBondContact O-N 3.22Å; M566-D648 HydrophobicContact CE-CB 3.84Å; M566-D648 HydrophobicContact SD-CB 3.67Å; M566-D648 VanDerWaalsContact SD-CG 3.52Å
567	Q	61.7	Low	71	Confident	83 Å²	83	56.7 Å²	56.7	39%	0.388	30%	0.297	S	S	.	.	H	α-helix	trans	-60.1	-46.1	172.3	-80.5	178.9	-25.4	0	0	112.4	T563 Q565 H570 Q571 E654	T563-Q567 WeakPolarHBondContact O-CB 3.31Å; T563-Q567 WeakPolarHBondContact O-CG 3.48Å; T563-Q567 PolarHBondContact O-N 3.4Å; Q565-Q567 PolarHBondContact O-N 3.46Å; Q567-H570 PolarHBondContact O-N 2.83Å; Q567-Q571 WeakPolarHBondContact O-CB 3.34Å; Q567-Q571 PolarHBondContact O-N 3.34Å; Q567-E654 PolarHBondContact NE2-OE2 2.98Å
568	K	76.4	Confident	70.8	Confident	62 Å²	62	57.1 Å²	57.1	27%	0.27	30%	0.297	S	S	.	.	H	α-helix	trans	-64.8	-39.3	176.9	-71.4	165.3	-175.9	169	0	112	A555 E558 S560 V564 Q565 Q571 A572	A555-K568 HydrophobicContact CB-CB 3.48Å; A555-K568 VanDerWaalsContact CB-CB 3.48Å; E558-K568 WeakPolarHBondContact OE2-CE 3.3Å; E558-K568 IonicContact OE2-NZ 3.91Å; E558-K568 PolarHBondContact OE2-NZ 3.17Å; S560-K568 PolarHBondContact OG-NZ 3.34Å; V564-K568 HydrophobicContact CG1-CD 4.2Å; V564-K568 VanDerWaalsContact CG1-CE 3.47Å; V564-K568 WeakPolarHBondContact O-CB 3.37Å; V564-K568 WeakPolarHBondContact O-CD 3.33Å; V564-K568 WeakPolarHBondContact O-CG 3.45Å; V564-K568 PolarHBondContact O-N 3.11Å; Q565-K568 PolarHBondContact O-N 2.76Å; K568-Q571 PolarHBondContact O-N 2.77Å; K568-A572 WeakPolarHBondContact O-CB 3.42Å; K568-A572 PolarHBondContact O-N 3.2Å
569	I	78.5	Confident	71.2	Confident	5 Å²	5	55 Å²	55	3%	0.026	29%	0.289	C	S	.	.	H	α-helix	trans	-64.3	-46.7	174.2	-71.5	174.8	0	0	0	110.5	A555 A556 Q565 M566 Q571 A572 I573 E642 M643	A555-I569 HydrophobicContact CB-CG1 3.58Å; A556-I569 HydrophobicContact CB-CD1 4.15Å; Q565-I569 HydrophobicContact CG-CD1 4.26Å; Q565-I569 WeakPolarHBondContact O-CG1 3.35Å; Q565-I569 PolarHBondContact O-N 3.45Å; M566-I569 PolarHBondContact O-N 3.26Å; I569-Q571 VanDerWaalsContact C-N 3.33Å; I569-Q571 PolarHBondContact O-N 3.5Å; I569-A572 PolarHBondContact O-N 3.47Å; I569-I573 HydrophobicContact CG2-CD1 4.01Å; I569-I573 VanDerWaalsContact O-CG1 3.32Å; I569-I573 WeakPolarHBondContact O-CG1 3.27Å; I569-I573 PolarHBondContact O-N 2.87Å; I569-E642 HydrophobicContact CD1-CB 3.27Å; I569-E642 HydrophobicContact CD1-CG 3.76Å; I569-M643 HydrophobicContact CG2-CG 3.41Å; I569-M643 VanDerWaalsContact CG2-CG 3.41Å; I569-M643 HydrophobicContact CG2-SD 4.34Å
570	H	67.4	Low	72.4	Confident	62 Å²	62	46.9 Å²	46.9	29%	0.287	25%	0.246	S	C	.	.	H	α-helix	trans	-59.9	-43	176.4	-180	-80.9	0	0	0	111.5	M566 Q567 I573 T574 R991	M566-H570 WeakPolarHBondContact O-CB 3.49Å; M566-H570 PolarHBondContact O-N 3.22Å; Q567-H570 PolarHBondContact O-N 2.83Å; H570-I573 PolarHBondContact O-N 2.93Å; H570-T574 WeakPolarHBondContact O-CG2 3.46Å; H570-T574 PolarHBondContact O-N 2.61Å; H570-T574 PolarHBondContact O-OG1 2.66Å; H570-R991 PolarHBondContact CE1-NH1 3.48Å; H570-R991 VanDerWaalsContact CE1-NH1 3.35Å; H570-R991 PolarHBondContact NE2-NH1 2.87Å; H570-R991 PolarHBondContact NE2-NH2 2.82Å
571	Q	73	Confident	73.3	Confident	103 Å²	103	45.3 Å²	45.3	48%	0.481	24%	0.235	S	C	.	.	H	α-helix	trans	-57.2	-51.6	172.9	-178.4	179.8	-13	0	0	111	Q567 K568 I569 I573 T574 E575	Q567-Q571 WeakPolarHBondContact O-CB 3.34Å; Q567-Q571 PolarHBondContact O-N 3.34Å; K568-Q571 PolarHBondContact O-N 2.77Å; I569-Q571 VanDerWaalsContact C-N 3.33Å; I569-Q571 PolarHBondContact O-N 3.5Å; Q571-I573 VanDerWaalsContact C-N 3.27Å; Q571-I573 PolarHBondContact O-N 2.85Å; Q571-T574 WeakPolarHBondContact CA-OG1 3.43Å; Q571-T574 PolarHBondContact O-N 3.31Å; Q571-T574 PolarHBondContact O-OG1 3.36Å; Q571-E575 VanDerWaalsContact CG-OE1 3.31Å; Q571-E575 WeakPolarHBondContact CG-OE1 3.38Å; Q571-E575 PolarHBondContact NE2-OE1 2.95Å; Q571-E575 WeakPolarHBondContact O-CG 3.4Å; Q571-E575 PolarHBondContact O-N 2.94Å
572	A	80.4	Confident	73.9	Confident	6 Å²	6	41 Å²	41	5%	0.05	21%	0.211	C	C	.	.	H	α-helix	trans	-58.3	-36.1	178.3	0	0	0	0	0	112.7	E551 F552 K568 I569 L576	E551-A572 HydrophobicContact CB-CB 4.09Å; F552-A572 HydrophobicContact CD1-CB 4.28Å; F552-A572 HydrophobicContact CD2-CB 3.87Å; F552-A572 HydrophobicContact CE1-CB 4.14Å; F552-A572 HydrophobicContact CE2-CB 3.69Å; F552-A572 HydrophobicContact CG-CB 4.16Å; F552-A572 HydrophobicContact CZ-CB 3.84Å; K568-A572 WeakPolarHBondContact O-CB 3.42Å; K568-A572 PolarHBondContact O-N 3.2Å; I569-A572 PolarHBondContact O-N 3.47Å; A572-L576 PolarHBondContact O-N 3.33Å
573	I	77.9	Confident	75.2	Confident	18 Å²	18	37.5 Å²	37.5	9%	0.092	19%	0.193	C	C	.	.	H	α-helix	trans	-67	-42.5	172.2	-61.9	166.4	0	0	0	111.2	M389 F552 I569 H570 Q571 E575 L576 R581 L584 M643	M389-I573 HydrophobicContact CE-CG2 3.63Å; M389-I573 HydrophobicContact SD-CB 4.43Å; M389-I573 HydrophobicContact SD-CG2 3.53Å; M389-I573 VanDerWaalsContact SD-CG2 3.53Å; F552-I573 HydrophobicContact CE1-CD1 4.49Å; F552-I573 HydrophobicContact CE1-CG1 3.57Å; F552-I573 HydrophobicContact CZ-CB 4.4Å; F552-I573 HydrophobicContact CZ-CG1 3.7Å; I569-I573 HydrophobicContact CG2-CD1 4.01Å; I569-I573 VanDerWaalsContact O-CG1 3.32Å; I569-I573 WeakPolarHBondContact O-CG1 3.27Å; I569-I573 PolarHBondContact O-N 2.87Å; H570-I573 PolarHBondContact O-N 2.93Å; Q571-I573 VanDerWaalsContact C-N 3.27Å; Q571-I573 PolarHBondContact O-N 2.85Å; I573-E575 PolarHBondContact O-N 3.28Å; I573-L576 HydrophobicContact CG2-CD1 4.5Å; I573-L576 WeakPolarHBondContact O-CB 3.36Å; I573-L576 PolarHBondContact O-N 2.89Å; I573-R581 HydrophobicContact CG2-CG 4.09Å; I573-R581 WeakPolarHBondContact O-CG 3.25Å; I573-L584 HydrophobicContact CG1-CD2 4.48Å; I573-L584 HydrophobicContact CG2-CD2 4.49Å; I573-M643 HydrophobicContact CD1-CE 4.3Å; I573-M643 HydrophobicContact CD1-CG 4.25Å
574	T	68.8	Low	77	Confident	15 Å²	15	36 Å²	36	9%	0.092	19%	0.185	C	C	.	.	H	α-helix	trans	-66	-27.9	178.8	57	0	0	0	0	113.5	N387 M389 H570 Q571 L576	N387-T574 HydrophobicContact CB-CG2 4.43Å; N387-T574 PolarHBondContact ND2-OG1 2.88Å; M389-T574 HydrophobicContact SD-CG2 4.16Å; H570-T574 WeakPolarHBondContact O-CG2 3.46Å; H570-T574 PolarHBondContact O-N 2.61Å; H570-T574 PolarHBondContact O-OG1 2.66Å; Q571-T574 WeakPolarHBondContact CA-OG1 3.43Å; Q571-T574 PolarHBondContact O-N 3.31Å; Q571-T574 PolarHBondContact O-OG1 3.36Å; T574-L576 VanDerWaalsContact C-N 3.34Å
575	E	80.1	Confident	77.5	Confident	111 Å²	111	34.6 Å²	34.6	52%	0.519	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82	-7	176.5	-67.6	178.6	-165.7	0	0	113.8	Q571 I573	Q571-E575 VanDerWaalsContact CG-OE1 3.31Å; Q571-E575 WeakPolarHBondContact CG-OE1 3.38Å; Q571-E575 PolarHBondContact NE2-OE1 2.95Å; Q571-E575 WeakPolarHBondContact O-CG 3.4Å; Q571-E575 PolarHBondContact O-N 2.94Å; I573-E575 PolarHBondContact O-N 3.28Å
576	L	81.6	Confident	78.3	Confident	7 Å²	7	34.3 Å²	34.3	4%	0.037	18%	0.176	C	C	.	.	S	Bend	trans	-65.4	149	174.5	-75	174.6	0	0	0	112.4	I544 F552 A572 I573 T574 L578 R581 L584	I544-L576 HydrophobicContact CG1-CD1 4.38Å; I544-L576 HydrophobicContact CG2-CD2 4.3Å; F552-L576 HydrophobicContact CE2-CD1 4.26Å; F552-L576 HydrophobicContact CE2-CD2 4Å; F552-L576 HydrophobicContact CE2-CG 4.1Å; F552-L576 HydrophobicContact CZ-CD1 3.87Å; F552-L576 HydrophobicContact CZ-CD2 4.44Å; F552-L576 HydrophobicContact CZ-CG 4.12Å; A572-L576 PolarHBondContact O-N 3.33Å; I573-L576 HydrophobicContact CG2-CD1 4.5Å; I573-L576 WeakPolarHBondContact O-CB 3.36Å; I573-L576 PolarHBondContact O-N 2.89Å; T574-L576 VanDerWaalsContact C-N 3.34Å; L576-L578 PolarHBondContact O-N 2.97Å; L576-R581 HydrophobicContact CB-CB 3.96Å; L576-L584 HydrophobicContact CD1-CD2 3.45Å; L576-L584 VanDerWaalsContact CD1-CD2 3.45Å
577	P	87.2	Confident	79.6	Confident	66 Å²	66	32.9 Å²	32.9	43%	0.429	17%	0.169	S	C	.	.			trans	-53.2	137.5	168.4	-24.5	33.9	0	0	0	111.6	P545 P579 S580 R581	P545-P577 HydrophobicContact CG-CG 4.46Å; P577-P579 VanDerWaalsContact C-CD 3.46Å; P577-P579 VanDerWaalsContact C-N 3.34Å; P577-P579 VanDerWaalsContact O-N 3.13Å; P577-S580 WeakPolarHBondContact O-CA 3.28Å; P577-S580 WeakPolarHBondContact O-CB 3.36Å; P577-S580 PolarHBondContact O-N 3.46Å; P577-R581 PolarHBondContact O-N 2.76Å
578	L	77.4	Confident	80.8	Confident	62 Å²	62	29.8 Å²	29.8	33%	0.325	16%	0.156	S	C	.	.	H	α-helix	trans	-48.6	-44.6	-174.7	-49.7	174.8	0	0	0	114	Y471 L576 S580 R581 D582	Y471-L578 HydrophobicContact CD2-CB 3.8Å; Y471-L578 HydrophobicContact CE2-CB 4.12Å; Y471-L578 HydrophobicContact CE2-CD1 3.99Å; L576-L578 PolarHBondContact O-N 2.97Å; L578-S580 PolarHBondContact O-N 3.07Å; L578-R581 VanDerWaalsContact CD2-CZ 3.49Å; L578-R581 PolarHBondContact O-N 2.72Å; L578-D582 WeakPolarHBondContact O-CB 3.4Å; L578-D582 VanDerWaalsContact O-CG 3.27Å; L578-D582 PolarHBondContact O-N 2.88Å
579	P	87.1	Confident	80.8	Confident	24 Å²	24	29.7 Å²	29.7	16%	0.156	16%	0.158	C	C	.	.	H	α-helix	trans	-58.1	-43.4	174.6	-27.4	38.6	0	0	0	114	L461 V465 P577 T583	L461-P579 HydrophobicContact CD2-CB 4.17Å; L461-P579 WeakPolarHBondContact CD2-O 3.4Å; L461-P579 HydrophobicContact CG-CB 4.19Å; V465-P579 HydrophobicContact CG1-CB 4.07Å; V465-P579 HydrophobicContact CG2-CB 4.47Å; V465-P579 HydrophobicContact CG2-CG 4.43Å; P577-P579 VanDerWaalsContact C-CD 3.46Å; P577-P579 VanDerWaalsContact C-N 3.34Å; P577-P579 VanDerWaalsContact O-N 3.13Å; P579-T583 WeakPolarHBondContact O-CB 3.33Å; P579-T583 PolarHBondContact O-N 3.25Å; P579-T583 PolarHBondContact O-OG1 2.97Å
580	S	88.5	Confident	81.2	Confident	8 Å²	8	29.5 Å²	29.5	6%	0.056	16%	0.157	C	C	.	.	H	α-helix	trans	-66	-49.5	178.1	-76.7	0	0	0	0	110.9	L543 P577 L578 T583 L584	L543-S580 WeakPolarHBondContact O-CB 3.48Å; L543-S580 PolarHBondContact O-OG 3.25Å; P577-S580 WeakPolarHBondContact O-CA 3.28Å; P577-S580 WeakPolarHBondContact O-CB 3.36Å; P577-S580 PolarHBondContact O-N 3.46Å; L578-S580 PolarHBondContact O-N 3.07Å; S580-T583 PolarHBondContact O-N 3.01Å; S580-L584 WeakPolarHBondContact O-CB 3.3Å; S580-L584 PolarHBondContact O-N 2.9Å
581	R	83	Confident	82.3	Confident	5 Å²	5	26.6 Å²	26.6	2%	0.019	14%	0.143	C	C	.	.	H	α-helix	trans	-60.8	-50.3	-178.5	-173.1	-163	68.2	-168.4	-0.1	112.6	R388 M389 I573 L576 P577 L578 T583 L584 A585	R388-R581 PolarHBondContact O-NH1 3.14Å; R388-R581 PolarHBondContact O-NH2 3.25Å; M389-R581 HydrophobicContact CE-CG 4.35Å; M389-R581 HydrophobicContact CG-CG 4.16Å; M389-R581 HydrophobicContact SD-CG 4.23Å; I573-R581 HydrophobicContact CG2-CG 4.09Å; I573-R581 WeakPolarHBondContact O-CG 3.25Å; L576-R581 HydrophobicContact CB-CB 3.96Å; P577-R581 PolarHBondContact O-N 2.76Å; L578-R581 VanDerWaalsContact CD2-CZ 3.49Å; L578-R581 PolarHBondContact O-N 2.72Å; R581-T583 PolarHBondContact O-N 3.42Å; R581-L584 PolarHBondContact O-N 2.91Å; R581-A585 WeakPolarHBondContact O-CB 3.4Å; R581-A585 PolarHBondContact O-N 3.35Å
582	D	78.7	Confident	82.8	Confident	12 Å²	12	24.5 Å²	24.5	6%	0.064	13%	0.133	C	C	.	.	H	α-helix	trans	-65.2	-41.7	-178.4	-68.2	6.9	0	0	0	111	Y471 V472 L578 F586	Y471-D582 WeakPolarHBondContact CD2-OD2 3.29Å; Y471-D582 PolarHBondContact N-OD2 3.39Å; V472-D582 HydrophobicContact CG2-CB 4.18Å; L578-D582 WeakPolarHBondContact O-CB 3.4Å; L578-D582 VanDerWaalsContact O-CG 3.27Å; L578-D582 PolarHBondContact O-N 2.88Å; D582-F586 WeakPolarHBondContact O-CB 3.47Å; D582-F586 PolarHBondContact O-N 3.29Å; D582-F586 VanDerWaalsContact O-N 3.08Å
583	T	88.5	Confident	83	Confident	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-68.2	-38.7	177.5	-57.4	0	0	0	0	112	Y471 P473 V476 F536 L543 P579 S580 R581 F586 L587	Y471-T583 PolarHBondContact O-OG1 3.46Å; P473-T583 WeakPolarHBondContact CD-OG1 3.33Å; V476-T583 HydrophobicContact CG2-CG2 4.36Å; F536-T583 HydrophobicContact CE1-CG2 3.69Å; F536-T583 HydrophobicContact CZ-CG2 3.9Å; L543-T583 HydrophobicContact CD1-CG2 3.91Å; P579-T583 WeakPolarHBondContact O-CB 3.33Å; P579-T583 PolarHBondContact O-N 3.25Å; P579-T583 PolarHBondContact O-OG1 2.97Å; S580-T583 PolarHBondContact O-N 3.01Å; R581-T583 PolarHBondContact O-N 3.42Å; T583-F586 PolarHBondContact O-N 2.69Å; T583-L587 WeakPolarHBondContact O-CB 3.41Å; T583-L587 PolarHBondContact O-N 2.67Å
584	L	88.6	Confident	83.7	Confident	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-65.1	-46.8	176.2	178.1	65.1	0	0	0	111.6	L543 I544 I573 L576 S580 R581 F586 L587 I588 I616 M643	L543-L584 HydrophobicContact CD2-CB 4.12Å; L543-L584 HydrophobicContact CD2-CD1 3.92Å; L543-L584 HydrophobicContact CG-CB 4.3Å; L543-L584 HydrophobicContact CG-CD1 4.46Å; I544-L584 HydrophobicContact CD1-CD1 4.48Å; I544-L584 HydrophobicContact CD1-CD2 4.21Å; I544-L584 HydrophobicContact CG1-CD2 4.07Å; I573-L584 HydrophobicContact CG1-CD2 4.48Å; I573-L584 HydrophobicContact CG2-CD2 4.49Å; L576-L584 HydrophobicContact CD1-CD2 3.45Å; L576-L584 VanDerWaalsContact CD1-CD2 3.45Å; S580-L584 WeakPolarHBondContact O-CB 3.3Å; S580-L584 PolarHBondContact O-N 2.9Å; R581-L584 PolarHBondContact O-N 2.91Å; L584-F586 VanDerWaalsContact C-N 3.33Å; L584-F586 PolarHBondContact O-N 2.91Å; L584-L587 PolarHBondContact O-N 3.18Å; L584-I588 HydrophobicContact CD1-CD1 3.94Å; L584-I588 HydrophobicContact CD1-CG1 4.26Å; L584-I588 HydrophobicContact CG-CD1 3.85Å; L584-I588 WeakPolarHBondContact O-CG1 3.47Å; L584-I588 PolarHBondContact O-N 3.49Å; L584-I616 HydrophobicContact CD1-CD1 4.05Å; L584-M643 HydrophobicContact CD1-CE 3.8Å; L584-M643 HydrophobicContact CD2-CE 3.73Å; L584-M643 HydrophobicContact CG-CE 4.06Å
585	A	76.5	Confident	84.7	Confident	23 Å²	23	28 Å²	28	19%	0.19	15%	0.147	C	C	.	.	H	α-helix	trans	-59	-44.7	175.3	0	0	0	0	0	111.6	M389 R581 L587 I588 L589	M389-A585 HydrophobicContact CE-CB 4.05Å; R581-A585 WeakPolarHBondContact O-CB 3.4Å; R581-A585 PolarHBondContact O-N 3.35Å; A585-L587 VanDerWaalsContact C-N 3.31Å; A585-L587 PolarHBondContact O-N 3.14Å; A585-I588 PolarHBondContact O-N 2.87Å; A585-L589 VanDerWaalsContact O-CG 3.31Å; A585-L589 WeakPolarHBondContact O-CG 3.28Å; A585-L589 PolarHBondContact O-N 3.06Å; A585-L589 VanDerWaalsContact O-N 3.11Å
586	F	80.9	Confident	84.9	Confident	17 Å²	17	26.6 Å²	26.6	8%	0.075	15%	0.154	C	C	.	.	H	α-helix	trans	-62.8	-36.2	176.6	-167.8	-91.9	0	0	0	112.8	T394 V472 V476 V477 I480 D582 T583 L584 H590	T394-F586 HydrophobicContact CG2-CE2 4.08Å; T394-F586 HydrophobicContact CG2-CZ 4.43Å; V472-F586 HydrophobicContact CG1-CB 4.19Å; V472-F586 HydrophobicContact CG1-CD1 3.98Å; V472-F586 HydrophobicContact CG1-CG 4.01Å; V472-F586 HydrophobicContact CG2-CB 4.04Å; V472-F586 HydrophobicContact CG2-CG 4.33Å; V476-F586 HydrophobicContact CG1-CD1 3.84Å; V476-F586 HydrophobicContact CG1-CE1 4.19Å; V477-F586 HydrophobicContact CB-CZ 4.36Å; V477-F586 HydrophobicContact CG1-CZ 4.21Å; V477-F586 HydrophobicContact CG2-CE1 4.3Å; V477-F586 HydrophobicContact CG2-CZ 4.16Å; I480-F586 HydrophobicContact CB-CE1 4Å; I480-F586 HydrophobicContact CD1-CD1 3.82Å; I480-F586 HydrophobicContact CD1-CE1 3.8Å; I480-F586 HydrophobicContact CG1-CE1 4.45Å; I480-F586 HydrophobicContact CG2-CE1 3.88Å; I480-F586 HydrophobicContact CG2-CZ 4.35Å; D582-F586 WeakPolarHBondContact O-CB 3.47Å; D582-F586 PolarHBondContact O-N 3.29Å; D582-F586 VanDerWaalsContact O-N 3.08Å; T583-F586 PolarHBondContact O-N 2.69Å; L584-F586 VanDerWaalsContact C-N 3.33Å; L584-F586 PolarHBondContact O-N 2.91Å; F586-H590 PolarHBondContact O-N 2.98Å
587	L	90.3	Very high	85.2	Confident	1 Å²	1	30 Å²	30	1%	0.005	17%	0.17	C	C	.	.	H	α-helix	trans	-71	-45.5	176.1	-179.6	62.6	0	0	0	112.5	I480 L532 F536 L543 T583 L584 A585 L589 H590 L591 F612 I616	I480-L587 HydrophobicContact CD1-CD1 4.23Å; L532-L587 HydrophobicContact CD2-CD1 4.3Å; F536-L587 HydrophobicContact CD2-CD2 4.48Å; F536-L587 HydrophobicContact CE2-CD1 4.19Å; F536-L587 HydrophobicContact CE2-CD2 3.9Å; F536-L587 HydrophobicContact CZ-CD2 4.06Å; L543-L587 HydrophobicContact CD2-CD2 3.95Å; T583-L587 WeakPolarHBondContact O-CB 3.41Å; T583-L587 PolarHBondContact O-N 2.67Å; L584-L587 PolarHBondContact O-N 3.18Å; A585-L587 VanDerWaalsContact C-N 3.31Å; A585-L587 PolarHBondContact O-N 3.14Å; L587-L589 PolarHBondContact O-N 3.04Å; L587-H590 WeakPolarHBondContact O-CB 3.4Å; L587-H590 PolarHBondContact O-N 3.1Å; L587-L591 HydrophobicContact CD1-CD1 4Å; L587-L591 HydrophobicContact CD1-CG 4.25Å; L587-L591 HydrophobicContact CG-CD1 3.9Å; L587-L591 HydrophobicContact CG-CG 4.48Å; L587-L591 WeakPolarHBondContact O-CG 3.48Å; L587-L591 PolarHBondContact O-N 2.79Å; L587-F612 HydrophobicContact CD1-CE1 4.01Å; L587-F612 HydrophobicContact CD2-CD1 4.14Å; L587-F612 HydrophobicContact CD2-CE1 4.21Å; L587-I616 HydrophobicContact CD2-CG2 3.82Å
588	I	85.4	Confident	85.4	Confident	19 Å²	19	28.7 Å²	28.7	10%	0.097	16%	0.163	C	C	.	.	H	α-helix	trans	-61.7	-46.5	-180	-69	166	0	0	0	110.7	L584 A585 H590 L591 Q592 M643	L584-I588 HydrophobicContact CD1-CD1 3.94Å; L584-I588 HydrophobicContact CD1-CG1 4.26Å; L584-I588 HydrophobicContact CG-CD1 3.85Å; L584-I588 WeakPolarHBondContact O-CG1 3.47Å; L584-I588 PolarHBondContact O-N 3.49Å; A585-I588 PolarHBondContact O-N 2.87Å; I588-H590 PolarHBondContact O-N 3.44Å; I588-L591 PolarHBondContact O-N 2.82Å; I588-Q592 HydrophobicContact CG2-CG 4.31Å; I588-Q592 WeakPolarHBondContact O-CG 3.19Å; I588-Q592 PolarHBondContact O-N 2.7Å; I588-M643 HydrophobicContact CD1-CB 4.25Å; I588-M643 HydrophobicContact CD1-CE 3.61Å; I588-M643 WeakPolarHBondContact CG2-O 3.42Å
589	L	77.3	Confident	86	Confident	60 Å²	60	29.6 Å²	29.6	31%	0.314	18%	0.179	S	C	.	.	H	α-helix	trans	-57.5	-33.3	176.9	-71.9	170.5	0	0	0	112.6	A585 L587 K593	A585-L589 VanDerWaalsContact O-CG 3.31Å; A585-L589 WeakPolarHBondContact O-CG 3.28Å; A585-L589 PolarHBondContact O-N 3.06Å; A585-L589 VanDerWaalsContact O-N 3.11Å; L587-L589 PolarHBondContact O-N 3.04Å; L589-K593 WeakPolarHBondContact O-CG 3.44Å
590	H	86.8	Confident	86.3	Confident	1 Å²	1	30.8 Å²	30.8	1%	0.005	19%	0.191	C	C	.	.	H	α-helix	trans	-70.1	-45.8	172.6	173.7	61.1	0	0	0	112.1	I480 E484 Y494 F586 L587 I588 Q592 K593 V594	I480-H590 HydrophobicContact CD1-CB 3.92Å; I480-H590 HydrophobicContact CG1-CB 4.34Å; I480-H590 HydrophobicContact CG2-CB 3.85Å; E484-H590 VanDerWaalsContact CG-ND1 3.28Å; E484-H590 WeakPolarHBondContact CG-ND1 3.3Å; E484-H590 IonicContact OE1-CG 3.28Å; E484-H590 IonicContact OE1-ND1 2.72Å; E484-H590 PolarHBondContact OE1-ND1 2.9Å; Y494-H590 AromaticContact CE2-NE2 3.55Å; Y494-H590 AromaticContact CZ-NE2 3.58Å; Y494-H590 PolarHBondContact OH-CD2 3.31Å; Y494-H590 PolarHBondContact OH-NE2 2.96Å; F586-H590 PolarHBondContact O-N 2.98Å; L587-H590 WeakPolarHBondContact O-CB 3.4Å; L587-H590 PolarHBondContact O-N 3.1Å; I588-H590 PolarHBondContact O-N 3.44Å; H590-Q592 VanDerWaalsContact C-N 3.32Å; H590-Q592 PolarHBondContact O-N 2.81Å; H590-K593 WeakPolarHBondContact O-CB 3.42Å; H590-K593 PolarHBondContact O-N 3.21Å; H590-K593 VanDerWaalsContact O-N 3.13Å; H590-V594 PolarHBondContact O-N 3.29Å; H590-V594 VanDerWaalsContact O-N 3.12Å
591	L	90.9	Very high	86.6	Confident	1 Å²	1	30.4 Å²	30.4	1%	0.005	19%	0.188	C	C	.	.	H	α-helix	trans	-69.5	-29.2	-177.2	-63.1	174.6	0	0	0	112.4	Y494 L587 I588 V594 N595 L608 F612 F640	Y494-L591 HydrophobicContact CD2-CD2 4.06Å; Y494-L591 HydrophobicContact CE2-CD2 3.72Å; L587-L591 HydrophobicContact CD1-CD1 4Å; L587-L591 HydrophobicContact CD1-CG 4.25Å; L587-L591 HydrophobicContact CG-CD1 3.9Å; L587-L591 HydrophobicContact CG-CG 4.48Å; L587-L591 WeakPolarHBondContact O-CG 3.48Å; L587-L591 PolarHBondContact O-N 2.79Å; I588-L591 PolarHBondContact O-N 2.82Å; L591-V594 WeakPolarHBondContact O-CB 3.26Å; L591-V594 PolarHBondContact O-N 3.36Å; L591-N595 PolarHBondContact O-N 2.88Å; L591-L608 HydrophobicContact CB-CD1 4.39Å; L591-L608 HydrophobicContact CD2-CD2 4.41Å; L591-F612 HydrophobicContact CD1-CB 4.32Å; L591-F612 HydrophobicContact CD1-CD1 3.89Å; L591-F612 HydrophobicContact CD1-CD2 3.63Å; L591-F612 HydrophobicContact CD1-CE1 4.08Å; L591-F612 HydrophobicContact CD1-CE2 3.83Å; L591-F612 HydrophobicContact CD1-CG 3.66Å; L591-F612 HydrophobicContact CD1-CZ 4.03Å; L591-F612 HydrophobicContact CD2-CD2 3.97Å; L591-F612 HydrophobicContact CD2-CE2 3.42Å; L591-F612 VanDerWaalsContact CD2-CE2 3.42Å; L591-F612 HydrophobicContact CD2-CZ 3.76Å; L591-F612 HydrophobicContact CG-CD2 4.48Å; L591-F612 HydrophobicContact CG-CE2 4.3Å; L591-F640 HydrophobicContact CB-CZ 4.22Å; L591-F640 HydrophobicContact CD1-CE2 3.65Å; L591-F640 HydrophobicContact CD1-CZ 3.55Å; L591-F640 HydrophobicContact CG-CZ 4.48Å
592	Q	83.5	Confident	87.1	Confident	58 Å²	58	35.6 Å²	35.6	27%	0.271	21%	0.211	S	C	.	.	H	α-helix	trans	-62.6	-41.2	168.3	-74.7	177.8	-35.2	0	0	112.3	I588 H590 V594 N595 A596 S644 E645	I588-Q592 HydrophobicContact CG2-CG 4.31Å; I588-Q592 WeakPolarHBondContact O-CG 3.19Å; I588-Q592 PolarHBondContact O-N 2.7Å; H590-Q592 VanDerWaalsContact C-N 3.32Å; H590-Q592 PolarHBondContact O-N 2.81Å; Q592-V594 VanDerWaalsContact C-N 3.32Å; Q592-V594 PolarHBondContact O-N 2.72Å; Q592-N595 PolarHBondContact O-N 2.7Å; Q592-A596 WeakPolarHBondContact O-CB 3.18Å; Q592-A596 PolarHBondContact O-N 3.25Å; Q592-S644 WeakPolarHBondContact CG-O 3.25Å; Q592-S644 PolarHBondContact NE2-O 3.41Å; Q592-E645 PolarHBondContact NE2-O 3.46Å; Q592-E645 VanDerWaalsContact NE2-O 3.16Å
593	K	85	Confident	87.8	Confident	82 Å²	82	35 Å²	35	36%	0.357	21%	0.208	S	C	.	.	H	α-helix	trans	-64.6	-35.6	173.3	-63.4	165.7	-169.4	166.9	0	112.4	E484 L488 L589 H590 A596 Q597	E484-K593 HydrophobicContact CG-CD 4.45Å; E484-K593 VanDerWaalsContact OE1-CD 3.28Å; E484-K593 WeakPolarHBondContact OE1-CD 3.43Å; E484-K593 IonicContact OE1-NZ 3.69Å; E484-K593 PolarHBondContact OE1-NZ 2.94Å; E484-K593 IonicContact OE2-NZ 3.76Å; E484-K593 PolarHBondContact OE2-NZ 2.95Å; L488-K593 HydrophobicContact CD2-CB 4.46Å; L589-K593 WeakPolarHBondContact O-CG 3.44Å; H590-K593 WeakPolarHBondContact O-CB 3.42Å; H590-K593 PolarHBondContact O-N 3.21Å; H590-K593 VanDerWaalsContact O-N 3.13Å; K593-A596 PolarHBondContact O-N 3.27Å; K593-Q597 PolarHBondContact O-N 2.8Å
594	V	91.7	Very high	88	Confident	0 Å²	0	37.1 Å²	37.1	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-64.3	-46.8	173.3	174.9	0	0	0	0	110.3	L488 I493 Y494 H590 L591 Q592 A596 Q597 S598 N601 M603 L608	L488-V594 HydrophobicContact CD2-CG2 3.8Å; I493-V594 HydrophobicContact CD1-CG2 4.24Å; I493-V594 HydrophobicContact CG2-CG1 3.54Å; Y494-V594 HydrophobicContact CE2-CG2 4.26Å; H590-V594 PolarHBondContact O-N 3.29Å; H590-V594 VanDerWaalsContact O-N 3.12Å; L591-V594 WeakPolarHBondContact O-CB 3.26Å; L591-V594 PolarHBondContact O-N 3.36Å; Q592-V594 VanDerWaalsContact C-N 3.32Å; Q592-V594 PolarHBondContact O-N 2.72Å; V594-A596 VanDerWaalsContact C-N 3.32Å; V594-A596 PolarHBondContact O-N 2.92Å; V594-Q597 CarbonylContact O-C 3.55Å; V594-Q597 PolarHBondContact O-N 2.92Å; V594-Q597 VanDerWaalsContact O-N 3.09Å; V594-S598 PolarHBondContact O-N 3.49Å; V594-N601 PolarHBondContact O-ND2 2.87Å; V594-M603 HydrophobicContact CG1-CB 4.26Å; V594-L608 HydrophobicContact CB-CD1 4.31Å; V594-L608 HydrophobicContact CG1-CD1 4.1Å; V594-L608 HydrophobicContact CG1-CD2 4.08Å
595	N	89.1	Confident	88	Confident	32 Å²	32	38.3 Å²	38.3	17%	0.171	23%	0.227	C	C	.	.	H	α-helix	trans	-60.6	-38.5	175.4	178.3	69.3	0	0	0	112.9	L591 Q592 Q597 S598 P604 I605 L608	L591-N595 PolarHBondContact O-N 2.88Å; Q592-N595 PolarHBondContact O-N 2.7Å; N595-Q597 PolarHBondContact O-N 3.36Å; N595-S598 WeakPolarHBondContact O-CB 3.39Å; N595-S598 PolarHBondContact O-N 3.11Å; N595-S598 PolarHBondContact O-OG 2.8Å; N595-P604 VanDerWaalsContact OD1-CA 3.27Å; N595-P604 WeakPolarHBondContact OD1-CA 3.42Å; N595-I605 HydrophobicContact CB-CD1 4.19Å; N595-I605 HydrophobicContact CB-CG1 3.85Å; N595-I605 WeakPolarHBondContact ND2-CD1 2.86Å; N595-I605 PolarHBondContact OD1-N 2.87Å; N595-L608 HydrophobicContact CB-CD1 4.27Å
596	A	84	Confident	88.6	Confident	81 Å²	81	40.8 Å²	40.8	67%	0.669	24%	0.243	S	C	*	.	H	α-helix	trans	-61.4	-23.4	176	0	0	0	0	0	113.2	Q592 K593 V594	Q592-A596 WeakPolarHBondContact O-CB 3.18Å; Q592-A596 PolarHBondContact O-N 3.25Å; K593-A596 PolarHBondContact O-N 3.27Å; V594-A596 VanDerWaalsContact C-N 3.32Å; V594-A596 PolarHBondContact O-N 2.92Å
597	Q	89.6	Confident	89.2	Confident	78 Å²	78	42.5 Å²	42.5	36%	0.364	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.2	16	171.5	-64.4	-158.4	1	0	0	114	L488 K593 V594 N595 A599 A600 N601	L488-Q597 HydrophobicContact CB-CG 4.43Å; L488-Q597 WeakPolarHBondContact O-CB 3.35Å; L488-Q597 PolarHBondContact O-OE1 2.8Å; K593-Q597 PolarHBondContact O-N 2.8Å; V594-Q597 CarbonylContact O-C 3.55Å; V594-Q597 PolarHBondContact O-N 2.92Å; V594-Q597 VanDerWaalsContact O-N 3.09Å; N595-Q597 PolarHBondContact O-N 3.36Å; Q597-A599 PolarHBondContact O-N 3.03Å; Q597-A600 PolarHBondContact O-N 3.38Å; Q597-N601 VanDerWaalsContact O-CG 3.31Å; Q597-N601 PolarHBondContact O-N 2.75Å; Q597-N601 PolarHBondContact O-ND2 2.72Å
598	S	90.2	Very high	89.4	Confident	39 Å²	39	42.5 Å²	42.5	27%	0.273	25%	0.253	S	S	.	.	H	α-helix	trans	-53.9	-28.6	179.2	57.6	0	0	0	0	114.3	V594 N595 A600 N601 K602	V594-S598 PolarHBondContact O-N 3.49Å; N595-S598 WeakPolarHBondContact O-CB 3.39Å; N595-S598 PolarHBondContact O-N 3.11Å; N595-S598 PolarHBondContact O-OG 2.8Å; S598-A600 VanDerWaalsContact C-N 3.3Å; S598-A600 PolarHBondContact O-N 3.25Å; S598-N601 VanDerWaalsContact CA-OD1 3.31Å; S598-N601 WeakPolarHBondContact CA-OD1 3.31Å; S598-K602 VanDerWaalsContact O-CA 3.24Å; S598-K602 WeakPolarHBondContact O-CA 3.45Å; S598-K602 PolarHBondContact O-N 3.23Å
599	A	90.2	Very high	89.7	Confident	81 Å²	81	41.7 Å²	41.7	67%	0.669	25%	0.249	S	C	*	.	H	α-helix	trans	-58.8	-37.6	172.5	0	0	0	0	0	113.1	Q597 K602	Q597-A599 PolarHBondContact O-N 3.03Å; A599-K602 WeakPolarHBondContact O-CE 3.46Å; A599-K602 PolarHBondContact O-NZ 3.43Å
600	A	93	Very high	90.3	Very high	49 Å²	49	46 Å²	46	41%	0.405	26%	0.261	S	S	.	.	H	α-helix	trans	-87.9	-59.1	175.1	0	0	0	0	0	111.1	D489 Q597 S598 K602	D489-A600 HydrophobicContact CB-CB 4.39Å; Q597-A600 PolarHBondContact O-N 3.38Å; S598-A600 VanDerWaalsContact C-N 3.3Å; S598-A600 PolarHBondContact O-N 3.25Å; A600-K602 VanDerWaalsContact C-N 3.34Å; A600-K602 PolarHBondContact O-N 3.48Å
601	N	95.1	Very high	90.7	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-78.8	-9.9	-169.3	70.6	36.7	0	0	0	114.8	L488 Y490 V491 G492 I493 V594 Q597 S598 M603	L488-N601 WeakPolarHBondContact O-CB 3.36Å; L488-N601 PolarHBondContact O-ND2 2.83Å; Y490-N601 WeakPolarHBondContact O-CB 3.44Å; V491-N601 CarbonylContact C-O 3.49Å; V491-N601 WeakPolarHBondContact CA-O 3.4Å; G492-N601 PolarHBondContact N-O 3.46Å; I493-N601 HydrophobicContact CG2-CB 3.95Å; V594-N601 PolarHBondContact O-ND2 2.87Å; Q597-N601 VanDerWaalsContact O-CG 3.31Å; Q597-N601 PolarHBondContact O-N 2.75Å; Q597-N601 PolarHBondContact O-ND2 2.72Å; S598-N601 VanDerWaalsContact CA-OD1 3.31Å; S598-N601 WeakPolarHBondContact CA-OD1 3.31Å; N601-M603 VanDerWaalsContact C-N 3.29Å; N601-M603 PolarHBondContact O-N 3.35Å; N601-M603 WeakPolarHBondContact OD1-CA 3.47Å; N601-M603 VanDerWaalsContact OD1-CB 3.3Å; N601-M603 WeakPolarHBondContact OD1-CB 3.44Å; N601-M603 PolarHBondContact OD1-N 2.94Å
602	K	94.7	Very high	90.8	Very high	114 Å²	114	47.3 Å²	47.3	50%	0.496	27%	0.268	S	S	.	.			trans	59.5	32.3	179.5	-43.1	-54.6	-178	-176.3	0	114.6	V491 R495 S598 A599 A600 P604 N607	V491-K602 HydrophobicContact CG1-CG 4.12Å; R495-K602 PolarHBondContact NH1-O 2.77Å; R495-K602 VanDerWaalsContact NH1-O 3.11Å; S598-K602 VanDerWaalsContact O-CA 3.24Å; S598-K602 WeakPolarHBondContact O-CA 3.45Å; S598-K602 PolarHBondContact O-N 3.23Å; A599-K602 WeakPolarHBondContact O-CE 3.46Å; A599-K602 PolarHBondContact O-NZ 3.43Å; A600-K602 VanDerWaalsContact C-N 3.34Å; A600-K602 PolarHBondContact O-N 3.48Å; K602-P604 VanDerWaalsContact C-CD 3.5Å; K602-N607 PolarHBondContact O-ND2 3Å
603	M	93.6	Very high	91.2	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	26%	0.256	C	S	.	.			trans	-123.8	73.3	178.2	-64.5	-61.1	-60.2	0	0	112	I493 R495 V594 N601 N607 L608 I611	I493-M603 HydrophobicContact CG2-CB 4.13Å; I493-M603 HydrophobicContact CG2-CG 3.8Å; I493-M603 WeakPolarHBondContact O-CE 3.06Å; I493-M603 WeakPolarHBondContact O-CG 3.28Å; R495-M603 HydrophobicContact CB-CE 3.88Å; R495-M603 HydrophobicContact CB-SD 3.69Å; R495-M603 PolarHBondContact NH1-SD 2.77Å; V594-M603 HydrophobicContact CG1-CB 4.26Å; N601-M603 VanDerWaalsContact C-N 3.29Å; N601-M603 PolarHBondContact O-N 3.35Å; N601-M603 WeakPolarHBondContact OD1-CA 3.47Å; N601-M603 VanDerWaalsContact OD1-CB 3.3Å; N601-M603 WeakPolarHBondContact OD1-CB 3.44Å; N601-M603 PolarHBondContact OD1-N 2.94Å; M603-N607 HydrophobicContact CE-CB 3.63Å; M603-N607 HydrophobicContact SD-CB 4Å; M603-L608 HydrophobicContact CB-CD2 4.14Å; M603-L608 HydrophobicContact CB-CG 4.42Å; M603-L608 HydrophobicContact CE-CD2 3.84Å; M603-L608 HydrophobicContact CE-CG 4.43Å; M603-I611 HydrophobicContact CE-CD1 3.46Å; M603-I611 VanDerWaalsContact CE-CD1 3.46Å
604	P	91.5	Very high	91.5	Very high	43 Å²	43	42.6 Å²	42.6	28%	0.279	25%	0.251	S	S	.	.			trans	-63.9	165.2	166.8	30.1	-37.4	0	0	0	112	N595 K602 S606 N607 L608	N595-P604 VanDerWaalsContact OD1-CA 3.27Å; N595-P604 WeakPolarHBondContact OD1-CA 3.42Å; K602-P604 VanDerWaalsContact C-CD 3.5Å; P604-S606 PolarHBondContact O-N 2.87Å; P604-S606 VanDerWaalsContact O-N 3.15Å; P604-N607 HydrophobicContact CG-CB 4.32Å; P604-N607 WeakPolarHBondContact O-CA 3.26Å; P604-N607 WeakPolarHBondContact O-CB 3.37Å; P604-N607 PolarHBondContact O-N 3.13Å; P604-L608 PolarHBondContact O-N 3.36Å; P604-L608 VanDerWaalsContact O-N 3.08Å
605	I	88.9	Confident	91.6	Very high	25 Å²	25	42.8 Å²	42.8	13%	0.128	25%	0.252	C	S	.	.	H	α-helix	trans	-48.2	-41.5	178	-83.4	156.9	0	0	0	112.9	N595 N607 L608 A609 A641 S644	N595-I605 HydrophobicContact CB-CD1 4.19Å; N595-I605 HydrophobicContact CB-CG1 3.85Å; N595-I605 WeakPolarHBondContact ND2-CD1 2.86Å; N595-I605 PolarHBondContact OD1-N 2.87Å; I605-N607 VanDerWaalsContact C-N 3.34Å; I605-N607 PolarHBondContact O-N 2.82Å; I605-L608 CarbonylContact O-C 3.57Å; I605-L608 PolarHBondContact O-N 2.71Å; I605-L608 VanDerWaalsContact O-N 3.09Å; I605-A609 WeakPolarHBondContact O-CB 3.42Å; I605-A609 PolarHBondContact O-N 3.48Å; I605-A641 HydrophobicContact CG2-CB 4.1Å; I605-S644 WeakPolarHBondContact CD1-O 3.31Å
606	S	89.8	Confident	91.8	Very high	75 Å²	75	41.3 Å²	41.3	52%	0.524	24%	0.244	S	C	.	.	H	α-helix	trans	-58.8	-40.4	176	54.7	0	0	0	0	113.3	P604 R610	P604-S606 PolarHBondContact O-N 2.87Å; P604-S606 VanDerWaalsContact O-N 3.15Å; S606-R610 WeakPolarHBondContact O-CG 3.46Å; S606-R610 PolarHBondContact O-N 3.34Å
607	N	93.1	Very high	92.2	Very high	54 Å²	54	37.4 Å²	37.4	29%	0.289	21%	0.212	S	C	.	.	H	α-helix	trans	-72.6	-31.7	175.1	-78.4	-11.6	0	0	0	112.4	R495 K602 M603 P604 I605 I611	R495-N607 PolarHBondContact NH1-ND2 3.44Å; K602-N607 PolarHBondContact O-ND2 3Å; M603-N607 HydrophobicContact CE-CB 3.63Å; M603-N607 HydrophobicContact SD-CB 4Å; P604-N607 HydrophobicContact CG-CB 4.32Å; P604-N607 WeakPolarHBondContact O-CA 3.26Å; P604-N607 WeakPolarHBondContact O-CB 3.37Å; P604-N607 PolarHBondContact O-N 3.13Å; I605-N607 VanDerWaalsContact C-N 3.34Å; I605-N607 PolarHBondContact O-N 2.82Å; N607-I611 WeakPolarHBondContact O-CD1 3.31Å
608	L	93.7	Very high	92.2	Very high	0 Å²	0	34 Å²	34	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-72.3	-39	176.1	-64.3	172.2	0	0	0	111.2	Y494 L591 V594 N595 M603 P604 I605 R610 I611 F612 F640	Y494-L608 HydrophobicContact CD2-CD2 4.37Å; L591-L608 HydrophobicContact CB-CD1 4.39Å; L591-L608 HydrophobicContact CD2-CD2 4.41Å; V594-L608 HydrophobicContact CB-CD1 4.31Å; V594-L608 HydrophobicContact CG1-CD1 4.1Å; V594-L608 HydrophobicContact CG1-CD2 4.08Å; N595-L608 HydrophobicContact CB-CD1 4.27Å; M603-L608 HydrophobicContact CB-CD2 4.14Å; M603-L608 HydrophobicContact CB-CG 4.42Å; M603-L608 HydrophobicContact CE-CD2 3.84Å; M603-L608 HydrophobicContact CE-CG 4.43Å; P604-L608 PolarHBondContact O-N 3.36Å; P604-L608 VanDerWaalsContact O-N 3.08Å; I605-L608 CarbonylContact O-C 3.57Å; I605-L608 PolarHBondContact O-N 2.71Å; I605-L608 VanDerWaalsContact O-N 3.09Å; L608-R610 VanDerWaalsContact C-N 3.34Å; L608-R610 PolarHBondContact O-N 2.83Å; L608-I611 PolarHBondContact O-N 2.78Å; L608-F612 PolarHBondContact O-N 2.99Å; L608-F640 HydrophobicContact CB-CE1 3.81Å; L608-F640 HydrophobicContact CB-CZ 4.13Å
609	A	91.5	Very high	91.7	Very high	2 Å²	2	36.3 Å²	36.3	2%	0.017	21%	0.214	C	C	.	.	H	α-helix	trans	-55.7	-46	176.3	0	0	0	0	0	112.4	I605 I611 F612 G613 E637 F640	I605-A609 WeakPolarHBondContact O-CB 3.42Å; I605-A609 PolarHBondContact O-N 3.48Å; A609-I611 PolarHBondContact O-N 3.08Å; A609-I611 VanDerWaalsContact O-N 3.13Å; A609-F612 PolarHBondContact O-N 2.84Å; A609-G613 WeakPolarHBondContact O-CA 3.31Å; A609-G613 PolarHBondContact O-N 2.83Å; A609-E637 HydrophobicContact CB-CB 4.3Å; A609-E637 HydrophobicContact CB-CG 4.45Å; A609-F640 HydrophobicContact CB-CB 4.01Å; A609-F640 HydrophobicContact CB-CD1 3.53Å; A609-F640 HydrophobicContact CB-CE1 4.41Å; A609-F640 HydrophobicContact CB-CG 4.07Å
610	R	91.4	Very high	90.8	Very high	150 Å²	150	33.4 Å²	33.4	57%	0.566	19%	0.188	S	C	*	.	H	α-helix	trans	-59.1	-23.6	176.4	-68	-175.4	72.1	66	10.5	114.4	S606 L608 E637	S606-R610 WeakPolarHBondContact O-CG 3.46Å; S606-R610 PolarHBondContact O-N 3.34Å; L608-R610 VanDerWaalsContact C-N 3.34Å; L608-R610 PolarHBondContact O-N 2.83Å; R610-E637 VanDerWaalsContact CG-CD 3.47Å; R610-E637 HydrophobicContact CG-CG 4.02Å; R610-E637 WeakPolarHBondContact CG-OE2 3.43Å; R610-E637 IonicContact CZ-OE1 2.72Å; R610-E637 IonicContact CZ-OE2 3.56Å; R610-E637 IonicContact NH1-OE1 3.34Å; R610-E637 PolarHBondContact NH1-OE1 3.26Å; R610-E637 IonicContact NH1-OE2 3.38Å; R610-E637 PolarHBondContact NH1-OE2 3.06Å
611	I	93.9	Very high	89.8	Confident	31 Å²	31	33.9 Å²	33.9	16%	0.159	19%	0.189	C	C	.	.	H	α-helix	trans	-99.5	-46.4	-178.3	-61.4	165.1	0	0	0	110.4	R495 K533 M603 N607 L608 A609 T615	R495-I611 HydrophobicContact CB-CD1 3.92Å; K533-I611 HydrophobicContact CD-CG2 3.67Å; M603-I611 HydrophobicContact CE-CD1 3.46Å; M603-I611 VanDerWaalsContact CE-CD1 3.46Å; N607-I611 WeakPolarHBondContact O-CD1 3.31Å; L608-I611 PolarHBondContact O-N 2.78Å; A609-I611 PolarHBondContact O-N 3.08Å; A609-I611 VanDerWaalsContact O-N 3.13Å; I611-T615 WeakPolarHBondContact O-CB 3.34Å; I611-T615 PolarHBondContact O-OG1 3.06Å
612	F	94.1	Very high	88.7	Confident	0 Å²	0	43.1 Å²	43.1	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-86.5	-29.5	-172.2	-82	-80.4	0	0	0	113.7	Y494 K533 L587 L591 L608 A609 T615 I616 F640	Y494-F612 AromaticContact CD1-CE2 3.79Å; Y494-F612 HydrophobicContact CD1-CE2 3.79Å; Y494-F612 AromaticContact CD1-CZ 3.55Å; Y494-F612 HydrophobicContact CD1-CZ 3.55Å; Y494-F612 AromaticContact CD2-CE2 3.9Å; Y494-F612 HydrophobicContact CD2-CE2 3.9Å; Y494-F612 HydrophobicContact CD2-CZ 4.26Å; Y494-F612 HydrophobicContact CE1-CE2 4.24Å; Y494-F612 AromaticContact CE1-CZ 3.66Å; Y494-F612 HydrophobicContact CE1-CZ 3.66Å; Y494-F612 HydrophobicContact CE2-CE2 4.33Å; Y494-F612 HydrophobicContact CE2-CZ 4.34Å; Y494-F612 AromaticContact CG-CE2 3.63Å; Y494-F612 HydrophobicContact CG-CE2 3.63Å; Y494-F612 AromaticContact CG-CZ 3.9Å; Y494-F612 HydrophobicContact CG-CZ 3.9Å; K533-F612 HydrophobicContact CG-CZ 4.36Å; L587-F612 HydrophobicContact CD1-CE1 4.01Å; L587-F612 HydrophobicContact CD2-CD1 4.14Å; L587-F612 HydrophobicContact CD2-CE1 4.21Å; L591-F612 HydrophobicContact CD1-CB 4.32Å; L591-F612 HydrophobicContact CD1-CD1 3.89Å; L591-F612 HydrophobicContact CD1-CD2 3.63Å; L591-F612 HydrophobicContact CD1-CE1 4.08Å; L591-F612 HydrophobicContact CD1-CE2 3.83Å; L591-F612 HydrophobicContact CD1-CG 3.66Å; L591-F612 HydrophobicContact CD1-CZ 4.03Å; L591-F612 HydrophobicContact CD2-CD2 3.97Å; L591-F612 HydrophobicContact CD2-CE2 3.42Å; L591-F612 VanDerWaalsContact CD2-CE2 3.42Å; L591-F612 HydrophobicContact CD2-CZ 3.76Å; L591-F612 HydrophobicContact CG-CD2 4.48Å; L591-F612 HydrophobicContact CG-CE2 4.3Å; L608-F612 PolarHBondContact O-N 2.99Å; A609-F612 PolarHBondContact O-N 2.84Å; F612-T615 HydrophobicContact CD1-CG2 4.29Å; F612-T615 CarbonylContact O-C 3.55Å; F612-T615 WeakPolarHBondContact O-CA 3.23Å; F612-T615 PolarHBondContact O-N 3.43Å; F612-I616 HydrophobicContact CD1-CG2 4.18Å; F612-I616 WeakPolarHBondContact O-CG1 3.5Å; F612-I616 PolarHBondContact O-N 2.83Å; F612-F640 HydrophobicContact CB-CD2 3.6Å; F612-F640 HydrophobicContact CB-CE2 3.32Å; F612-F640 HydrophobicContact CB-CG 4.5Å; F612-F640 HydrophobicContact CB-CZ 4.02Å; F612-F640 HydrophobicContact CG-CE2 4.09Å
613	G	91.7	Very high	87.9	Confident	0 Å²	0	43.9 Å²	43.9	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-45.6	-64.9	172.7	0	0	0	0	0	112.9	A609 T615 I616 L617	A609-G613 WeakPolarHBondContact O-CA 3.31Å; A609-G613 PolarHBondContact O-N 2.83Å; G613-T615 VanDerWaalsContact C-N 3.29Å; G613-T615 PolarHBondContact O-N 3.43Å; G613-I616 PolarHBondContact O-N 3.05Å; G613-L617 VanDerWaalsContact O-CB 3.29Å; G613-L617 WeakPolarHBondContact O-CB 3.24Å; G613-L617 PolarHBondContact O-N 2.91Å
614	P	91.7	Very high	87.2	Confident	40 Å²	40	46.1 Å²	46.1	26%	0.26	26%	0.258	S	S	.	.	H	α-helix	trans	-66.4	-26.9	176.2	25.8	-34.6	0	0	0	113.6	G618	P614-G618 CarbonylContact O-C 3.35Å; P614-G618 VanDerWaalsContact O-CA 3.27Å; P614-G618 WeakPolarHBondContact O-CA 3.41Å; P614-G618 PolarHBondContact O-N 2.91Å; P614-G618 VanDerWaalsContact O-N 3.14Å
615	T	93.6	Very high	86.8	Confident	5 Å²	5	46.7 Å²	46.7	3%	0.031	26%	0.262	C	S	.	.	H	α-helix	trans	-71.3	-31.8	179	-62.4	0	0	0	0	113	F536 Q537 I611 F612 G613	F536-T615 HydrophobicContact CB-CG2 3.82Å; Q537-T615 HydrophobicContact CG-CG2 4.2Å; Q537-T615 PolarHBondContact NE2-OG1 2.87Å; I611-T615 WeakPolarHBondContact O-CB 3.34Å; I611-T615 PolarHBondContact O-OG1 3.06Å; F612-T615 HydrophobicContact CD1-CG2 4.29Å; F612-T615 CarbonylContact O-C 3.55Å; F612-T615 WeakPolarHBondContact O-CA 3.23Å; F612-T615 PolarHBondContact O-N 3.43Å; G613-T615 VanDerWaalsContact C-N 3.29Å; G613-T615 PolarHBondContact O-N 3.43Å
616	I	93.4	Very high	86.4	Confident	0 Å²	0	50.8 Å²	50.8	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-107.1	-23.1	-176.4	76.7	-174.5	0	0	0	113.9	L543 I544 L584 L587 F612 G613 F640	L543-I616 HydrophobicContact CB-CB 4.14Å; L543-I616 HydrophobicContact CD2-CB 4.27Å; L543-I616 HydrophobicContact CD2-CG2 4.05Å; L543-I616 PolarHBondContact N-O 3.32Å; I544-I616 HydrophobicContact CD1-CD1 4.33Å; I544-I616 HydrophobicContact CD1-CG1 4.29Å; I544-I616 PolarHBondContact N-O 2.88Å; L584-I616 HydrophobicContact CD1-CD1 4.05Å; L587-I616 HydrophobicContact CD2-CG2 3.82Å; F612-I616 HydrophobicContact CD1-CG2 4.18Å; F612-I616 WeakPolarHBondContact O-CG1 3.5Å; F612-I616 PolarHBondContact O-N 2.83Å; G613-I616 PolarHBondContact O-N 3.05Å; I616-F640 HydrophobicContact CD1-CD2 3.89Å; I616-F640 HydrophobicContact CD1-CE2 4.44Å
617	L	91.7	Very high	86	Confident	0 Å²	0	51.8 Å²	51.8	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-102.9	0.1	176.6	-67.6	149.7	0	0	0	112.9	I544 R549 F553 G613 Q636 V639	I544-L617 HydrophobicContact CB-CD2 3.91Å; I544-L617 HydrophobicContact CD1-CD2 3.72Å; I544-L617 HydrophobicContact CD1-CG 4.08Å; I544-L617 HydrophobicContact CG1-CD2 4.41Å; I544-L617 HydrophobicContact CG2-CD2 3.72Å; R549-L617 HydrophobicContact CG-CD2 4.05Å; R549-L617 PolarHBondContact NE-O 3.23Å; F553-L617 HydrophobicContact CE1-CD1 4.42Å; G613-L617 VanDerWaalsContact O-CB 3.29Å; G613-L617 WeakPolarHBondContact O-CB 3.24Å; G613-L617 PolarHBondContact O-N 2.91Å; L617-Q636 HydrophobicContact CB-CG 4.15Å; L617-Q636 HydrophobicContact CD1-CB 3.94Å; L617-Q636 HydrophobicContact CD1-CG 3.87Å; L617-V639 HydrophobicContact CD1-CB 4.04Å; L617-V639 HydrophobicContact CD1-CG1 3.82Å; L617-V639 HydrophobicContact CD2-CG1 4.39Å
618	G	88.5	Confident	85.5	Confident	7 Å²	7	53.6 Å²	53.6	7%	0.072	30%	0.3	C	S	.	.			trans	83.1	155.8	-175.3	0	0	0	0	0	113.3	P614 Q636	P614-G618 CarbonylContact O-C 3.35Å; P614-G618 VanDerWaalsContact O-CA 3.27Å; P614-G618 WeakPolarHBondContact O-CA 3.41Å; P614-G618 PolarHBondContact O-N 2.91Å; P614-G618 VanDerWaalsContact O-N 3.14Å; G618-Q636 PolarHBondContact O-NE2 3.16Å
619	S	79.7	Confident	84.9	Confident	86 Å²	86	57.1 Å²	57.1	60%	0.601	32%	0.317	S	S	*	.	P	Polyproline II helix	trans	-69.8	151	173.7	-59.4	0	0	0	0	111.5
620	P	71.4	Confident	84.5	Confident	20 Å²	20	61.2 Å²	61.2	13%	0.13	34%	0.342	C	S	.	.	P	Polyproline II helix	trans	-54.1	147.1	164.3	-23.6	34.1	0	0	0	111.7	M624 M629 E632	P620-M624 HydrophobicContact CB-SD 4.18Å; P620-M629 HydrophobicContact CB-CB 4.42Å; P620-M629 HydrophobicContact CB-CG 4.19Å; P620-E632 VanDerWaalsContact CA-OE1 3.31Å; P620-E632 WeakPolarHBondContact CA-OE1 3.46Å; P620-E632 HydrophobicContact CG-CB 4.49Å; P620-E632 HydrophobicContact CG-CG 4.44Å
621	S	73.9	Confident	84.2	Confident	59 Å²	59	59 Å²	59	41%	0.413	34%	0.338	S	S	.	.	P	Polyproline II helix	trans	-67.6	138.4	-178.8	-176.4	0	0	0	0	111.2	T623 M624	S621-T623 PolarHBondContact O-N 3.38Å; S621-T623 PolarHBondContact OG-N 2.8Å; S621-T623 PolarHBondContact OG-OG1 3.17Å; S621-M624 PolarHBondContact N-SD 3.24Å; S621-M624 WeakPolarHBondContact O-CB 3.3Å; S621-M624 PolarHBondContact O-N 2.89Å
622	E	70	Confident	83.7	Confident	195 Å²	195	58.9 Å²	58.9	91%	0.911	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-12	176	-62.9	-177.4	171.3	0	0	113.5
623	T	78.5	Confident	83.3	Confident	129 Å²	129	60.7 Å²	60.7	79%	0.791	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.6	-5.2	175.3	61.2	0	0	0	0	114.2	S621	S621-T623 PolarHBondContact O-N 3.38Å; S621-T623 PolarHBondContact OG-N 2.8Å; S621-T623 PolarHBondContact OG-OG1 3.17Å
624	M	80	Confident	83.1	Confident	48 Å²	48	64 Å²	64	24%	0.236	37%	0.37	C	S	.	.	S	Bend	trans	-82.3	148.7	-179.5	-67.1	170.2	75.4	0	0	111	P620 S621 E628 M629 E632	P620-M624 HydrophobicContact CB-SD 4.18Å; S621-M624 PolarHBondContact N-SD 3.24Å; S621-M624 WeakPolarHBondContact O-CB 3.3Å; S621-M624 PolarHBondContact O-N 2.89Å; M624-E628 HydrophobicContact CB-CB 4.19Å; M624-E628 HydrophobicContact CE-CB 3.78Å; M624-M629 HydrophobicContact CB-CG 3.87Å; M624-E632 HydrophobicContact CE-CB 4.15Å
625	S	83	Confident	82.9	Confident	54 Å²	54	64.9 Å²	64.9	38%	0.378	37%	0.369	S	S	.	.			trans	-71.4	157.2	172.3	68.5	0	0	0	0	111.4	P627 E628 M629	S625-P627 VanDerWaalsContact C-N 3.34Å; S625-E628 VanDerWaalsContact CB-OE2 3.26Å; S625-E628 WeakPolarHBondContact CB-OE2 3.44Å; S625-E628 PolarHBondContact N-OE2 3.36Å; S625-E628 PolarHBondContact O-N 3.1Å; S625-E628 VanDerWaalsContact OG-CD 3.25Å; S625-E628 WeakPolarHBondContact OG-CG 3.04Å; S625-E628 PolarHBondContact OG-OE2 3.29Å; S625-M629 WeakPolarHBondContact O-CG 3.16Å; S625-M629 PolarHBondContact O-N 2.95Å
626	V	80	Confident	82.7	Confident	111 Å²	111	64.7 Å²	64.7	67%	0.673	37%	0.368	S	S	*	.	H	α-helix	trans	-53.4	-42.5	-179.2	-179.5	0	0	0	0	112.9	M629 V630	V626-M629 PolarHBondContact O-N 3.21Å; V626-V630 WeakPolarHBondContact O-CG2 3.48Å; V626-V630 PolarHBondContact O-N 3.4Å; V626-V630 VanDerWaalsContact O-N 3.15Å
627	P	81.2	Confident	82.3	Confident	96 Å²	96	66.9 Å²	66.9	62%	0.623	38%	0.379	S	S	*	.	H	α-helix	trans	-60.4	-45.2	174.1	-24.6	35.8	0	0	0	113.6	S625 M629 V630 E631	S625-P627 VanDerWaalsContact C-N 3.34Å; P627-M629 VanDerWaalsContact C-N 3.33Å; P627-M629 PolarHBondContact O-N 3.15Å; P627-V630 PolarHBondContact O-N 2.86Å; P627-E631 PolarHBondContact O-N 3.2Å
628	E	82.8	Confident	82	Confident	93 Å²	93	71.9 Å²	71.9	44%	0.435	40%	0.4	S	S	.	.	H	α-helix	trans	-64.9	-37.2	-180	-65.8	166.4	125.1	0	0	111.7	M624 S625 E631 E632	M624-E628 HydrophobicContact CB-CB 4.19Å; M624-E628 HydrophobicContact CE-CB 3.78Å; S625-E628 VanDerWaalsContact CB-OE2 3.26Å; S625-E628 WeakPolarHBondContact CB-OE2 3.44Å; S625-E628 PolarHBondContact N-OE2 3.36Å; S625-E628 PolarHBondContact O-N 3.1Å; S625-E628 VanDerWaalsContact OG-CD 3.25Å; S625-E628 WeakPolarHBondContact OG-CG 3.04Å; S625-E628 PolarHBondContact OG-OE2 3.29Å; E628-E631 PolarHBondContact O-N 2.76Å; E628-E632 VanDerWaalsContact O-CB 3.32Å; E628-E632 WeakPolarHBondContact O-CB 3.44Å; E628-E632 PolarHBondContact O-N 3.41Å
629	M	82	Confident	81.7	Confident	73 Å²	73	71.6 Å²	71.6	36%	0.36	40%	0.397	S	S	.	.	H	α-helix	trans	-63.8	-39.2	174.2	-66.8	177.4	70.6	0	0	112.4	P620 M624 S625 V626 P627 S633	P620-M629 HydrophobicContact CB-CB 4.42Å; P620-M629 HydrophobicContact CB-CG 4.19Å; M624-M629 HydrophobicContact CB-CG 3.87Å; S625-M629 WeakPolarHBondContact O-CG 3.16Å; S625-M629 PolarHBondContact O-N 2.95Å; V626-M629 PolarHBondContact O-N 3.21Å; P627-M629 VanDerWaalsContact C-N 3.33Å; P627-M629 PolarHBondContact O-N 3.15Å; M629-S633 WeakPolarHBondContact O-CB 3.33Å; M629-S633 PolarHBondContact O-N 2.71Å; M629-S633 PolarHBondContact O-OG 3.45Å
630	V	82.1	Confident	81.9	Confident	89 Å²	89	67.6 Å²	67.6	54%	0.539	37%	0.369	S	S	.	.	H	α-helix	trans	-69.9	-43.5	177.3	171.7	0	0	0	0	110.7	V626 P627 S633 T634	V626-V630 WeakPolarHBondContact O-CG2 3.48Å; V626-V630 PolarHBondContact O-N 3.4Å; V626-V630 VanDerWaalsContact O-N 3.15Å; P627-V630 PolarHBondContact O-N 2.86Å; V630-S633 PolarHBondContact O-N 3.39Å; V630-T634 WeakPolarHBondContact O-CB 3.17Å; V630-T634 PolarHBondContact O-N 2.82Å; V630-T634 PolarHBondContact O-OG1 2.99Å
631	E	84.7	Confident	82.2	Confident	103 Å²	103	67.7 Å²	67.7	48%	0.481	37%	0.371	S	S	.	.	H	α-helix	trans	-61.2	-47.9	175.7	-166.7	-167.6	154	0	0	111	P627 E628 S633 T634 K635	P627-E631 PolarHBondContact O-N 3.2Å; E628-E631 PolarHBondContact O-N 2.76Å; E631-S633 PolarHBondContact O-N 3.07Å; E631-T634 WeakPolarHBondContact O-CB 3.34Å; E631-T634 PolarHBondContact O-N 3.5Å; E631-T634 VanDerWaalsContact O-N 3.14Å; E631-K635 WeakPolarHBondContact O-CG 3.3Å; E631-K635 PolarHBondContact O-N 3.26Å; E631-K635 WeakPolarHBondContact OE1-CE 3.49Å; E631-K635 IonicContact OE1-NZ 3.64Å; E631-K635 PolarHBondContact OE1-NZ 2.72Å
632	E	84.6	Confident	82.2	Confident	28 Å²	28	66.2 Å²	66.2	13%	0.131	36%	0.358	C	S	.	.	H	α-helix	trans	-64.2	-41.7	179.3	-173.6	162.5	105.7	0	0	112.2	R549 F553 P620 M624 E628 T634 K635 Q636	R549-E632 VanDerWaalsContact CZ-CD 3.5Å; R549-E632 IonicContact CZ-OE1 2.66Å; R549-E632 IonicContact CZ-OE2 3.57Å; R549-E632 IonicContact NH1-OE1 2.8Å; R549-E632 PolarHBondContact NH1-OE1 2.82Å; R549-E632 IonicContact NH1-OE2 3.93Å; R549-E632 PolarHBondContact NH1-OE2 2.68Å; R549-E632 IonicContact NH2-OE1 3.43Å; R549-E632 PolarHBondContact NH2-OE1 3.34Å; R549-E632 IonicContact NH2-OE2 2.66Å; F553-E632 HydrophobicContact CE2-CG 3.93Å; F553-E632 HydrophobicContact CZ-CG 3.84Å; P620-E632 VanDerWaalsContact CA-OE1 3.31Å; P620-E632 WeakPolarHBondContact CA-OE1 3.46Å; P620-E632 HydrophobicContact CG-CB 4.49Å; P620-E632 HydrophobicContact CG-CG 4.44Å; M624-E632 HydrophobicContact CE-CB 4.15Å; E628-E632 VanDerWaalsContact O-CB 3.32Å; E628-E632 WeakPolarHBondContact O-CB 3.44Å; E628-E632 PolarHBondContact O-N 3.41Å; E632-T634 VanDerWaalsContact C-N 3.28Å; E632-T634 PolarHBondContact O-N 2.83Å; E632-K635 WeakPolarHBondContact O-CB 3.2Å; E632-K635 PolarHBondContact O-N 2.98Å; E632-K635 VanDerWaalsContact O-N 3.15Å; E632-Q636 WeakPolarHBondContact O-CG 3.23Å; E632-Q636 PolarHBondContact O-N 3.07Å
633	S	85.5	Confident	82.4	Confident	39 Å²	39	57.7 Å²	57.7	27%	0.273	32%	0.318	S	S	.	.	H	α-helix	trans	-58.4	-41.5	172.6	-57.4	0	0	0	0	111.5	M629 V630 E631 K635 Q636 E637	M629-S633 WeakPolarHBondContact O-CB 3.33Å; M629-S633 PolarHBondContact O-N 2.71Å; M629-S633 PolarHBondContact O-OG 3.45Å; V630-S633 PolarHBondContact O-N 3.39Å; E631-S633 PolarHBondContact O-N 3.07Å; S633-K635 VanDerWaalsContact C-N 3.35Å; S633-K635 PolarHBondContact O-N 2.75Å; S633-Q636 WeakPolarHBondContact O-CB 3.15Å; S633-Q636 PolarHBondContact O-N 3.1Å; S633-E637 WeakPolarHBondContact O-CG 3.32Å; S633-E637 PolarHBondContact O-N 2.98Å
634	T	86.2	Confident	81.7	Confident	70 Å²	70	51.7 Å²	51.7	43%	0.429	28%	0.281	S	S	.	.	H	α-helix	trans	-62.7	-40.2	176.2	-52.4	0	0	0	0	111.7	V630 E631 E632 E637 K638	V630-T634 WeakPolarHBondContact O-CB 3.17Å; V630-T634 PolarHBondContact O-N 2.82Å; V630-T634 PolarHBondContact O-OG1 2.99Å; E631-T634 WeakPolarHBondContact O-CB 3.34Å; E631-T634 PolarHBondContact O-N 3.5Å; E631-T634 VanDerWaalsContact O-N 3.14Å; E632-T634 VanDerWaalsContact C-N 3.28Å; E632-T634 PolarHBondContact O-N 2.83Å; T634-E637 PolarHBondContact O-N 2.88Å; T634-K638 PolarHBondContact O-N 3.46Å
635	K	88.7	Confident	80.6	Confident	57 Å²	57	53.9 Å²	53.9	25%	0.248	29%	0.291	C	S	.	.	H	α-helix	trans	-64.2	-38.9	174.7	-64.7	178.8	-179.2	162.4	0	112	F553 T557 E631 E632 S633 K638 V639	F553-K635 HydrophobicContact CD1-CB 3.86Å; F553-K635 HydrophobicContact CD2-CD 4.41Å; F553-K635 HydrophobicContact CE1-CB 3.85Å; F553-K635 HydrophobicContact CG-CB 4.26Å; F553-K635 HydrophobicContact CG-CD 4.47Å; F553-K635 HydrophobicContact CZ-CB 4.24Å; T557-K635 HydrophobicContact CG2-CB 4.36Å; T557-K635 HydrophobicContact CG2-CD 4.12Å; T557-K635 HydrophobicContact CG2-CG 3.72Å; E631-K635 WeakPolarHBondContact O-CG 3.3Å; E631-K635 PolarHBondContact O-N 3.26Å; E631-K635 WeakPolarHBondContact OE1-CE 3.49Å; E631-K635 IonicContact OE1-NZ 3.64Å; E631-K635 PolarHBondContact OE1-NZ 2.72Å; E632-K635 WeakPolarHBondContact O-CB 3.2Å; E632-K635 PolarHBondContact O-N 2.98Å; E632-K635 VanDerWaalsContact O-N 3.15Å; S633-K635 VanDerWaalsContact C-N 3.35Å; S633-K635 PolarHBondContact O-N 2.75Å; K635-K638 PolarHBondContact O-N 2.81Å; K635-V639 WeakPolarHBondContact O-CG2 3.41Å; K635-V639 PolarHBondContact O-N 3.35Å
636	Q	88	Confident	79	Confident	1 Å²	1	59.1 Å²	59.1	1%	0.005	31%	0.309	C	S	.	.	H	α-helix	trans	-66.7	-40.6	175.7	-66.5	179.9	-45.6	0	0	113	F553 L617 G618 E632 S633 F640	F553-Q636 HydrophobicContact CE1-CG 3.74Å; F553-Q636 HydrophobicContact CZ-CG 3.78Å; L617-Q636 HydrophobicContact CB-CG 4.15Å; L617-Q636 HydrophobicContact CD1-CB 3.94Å; L617-Q636 HydrophobicContact CD1-CG 3.87Å; G618-Q636 PolarHBondContact O-NE2 3.16Å; E632-Q636 WeakPolarHBondContact O-CG 3.23Å; E632-Q636 PolarHBondContact O-N 3.07Å; S633-Q636 WeakPolarHBondContact O-CB 3.15Å; S633-Q636 PolarHBondContact O-N 3.1Å; Q636-F640 PolarHBondContact O-N 3.16Å
637	E	86.3	Confident	77.5	Confident	47 Å²	47	55.8 Å²	55.8	22%	0.22	29%	0.286	C	S	.	.	H	α-helix	trans	-62.3	-44.5	175.6	-73.9	176	-137.3	0	0	111	A609 R610 S633 T634 F640 A641	A609-E637 HydrophobicContact CB-CB 4.3Å; A609-E637 HydrophobicContact CB-CG 4.45Å; R610-E637 VanDerWaalsContact CG-CD 3.47Å; R610-E637 HydrophobicContact CG-CG 4.02Å; R610-E637 WeakPolarHBondContact CG-OE2 3.43Å; R610-E637 IonicContact CZ-OE1 2.72Å; R610-E637 IonicContact CZ-OE2 3.56Å; R610-E637 IonicContact NH1-OE1 3.34Å; R610-E637 PolarHBondContact NH1-OE1 3.26Å; R610-E637 IonicContact NH1-OE2 3.38Å; R610-E637 PolarHBondContact NH1-OE2 3.06Å; S633-E637 WeakPolarHBondContact O-CG 3.32Å; S633-E637 PolarHBondContact O-N 2.98Å; T634-E637 PolarHBondContact O-N 2.88Å; E637-F640 PolarHBondContact O-N 3.15Å; E637-A641 WeakPolarHBondContact O-CB 3.46Å; E637-A641 PolarHBondContact O-N 3.03Å
638	K	84.2	Confident	76	Confident	105 Å²	105	52.3 Å²	52.3	46%	0.457	26%	0.262	S	S	.	.	H	α-helix	trans	-59.5	-56.3	173.1	-75.1	-169.8	172.4	-162.3	0	112.3	A556 T634 K635 F640 A641 E642	A556-K638 HydrophobicContact CB-CB 4.34Å; T634-K638 PolarHBondContact O-N 3.46Å; K635-K638 PolarHBondContact O-N 2.81Å; K638-F640 PolarHBondContact O-N 3.19Å; K638-F640 VanDerWaalsContact O-N 3.16Å; K638-A641 WeakPolarHBondContact O-CB 3.35Å; K638-A641 PolarHBondContact O-N 3.02Å; K638-E642 WeakPolarHBondContact O-CG 3.48Å; K638-E642 PolarHBondContact O-N 3Å
639	V	83.9	Confident	74.4	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-49.9	-45.6	178.6	167.6	0	0	0	0	111.4	F552 F553 A556 L617 K635 M643	F552-V639 HydrophobicContact CB-CG1 4.06Å; F552-V639 HydrophobicContact CB-CG2 4.1Å; F552-V639 HydrophobicContact CD1-CG1 3.88Å; F552-V639 HydrophobicContact CG-CG1 4.37Å; F552-V639 WeakPolarHBondContact O-CG2 3.35Å; F553-V639 HydrophobicContact CD1-CG2 3.89Å; F553-V639 HydrophobicContact CE1-CG2 4.46Å; A556-V639 HydrophobicContact CB-CB 4.29Å; A556-V639 HydrophobicContact CB-CG2 3.45Å; A556-V639 VanDerWaalsContact CB-CG2 3.45Å; L617-V639 HydrophobicContact CD1-CB 4.04Å; L617-V639 HydrophobicContact CD1-CG1 3.82Å; L617-V639 HydrophobicContact CD2-CG1 4.39Å; K635-V639 WeakPolarHBondContact O-CG2 3.41Å; K635-V639 PolarHBondContact O-N 3.35Å; V639-M643 HydrophobicContact CG1-CG 4.47Å; V639-M643 HydrophobicContact CG1-SD 3.42Å; V639-M643 WeakPolarHBondContact CG1-SD 3.48Å; V639-M643 VanDerWaalsContact O-CB 3.28Å; V639-M643 WeakPolarHBondContact O-CB 3.48Å; V639-M643 WeakPolarHBondContact O-CG 3.32Å; V639-M643 PolarHBondContact O-N 2.72Å; V639-M643 VanDerWaalsContact O-N 3.13Å
640	F	83.5	Confident	72.9	Confident	2 Å²	2	49.7 Å²	49.7	1%	0.009	25%	0.254	C	S	.	.	H	α-helix	trans	-66.7	-41.4	179.1	-176.7	-81.3	0	0	0	112.9	L591 L608 A609 F612 I616 Q636 E637 K638 M643 S644	L591-F640 HydrophobicContact CB-CZ 4.22Å; L591-F640 HydrophobicContact CD1-CE2 3.65Å; L591-F640 HydrophobicContact CD1-CZ 3.55Å; L591-F640 HydrophobicContact CG-CZ 4.48Å; L608-F640 HydrophobicContact CB-CE1 3.81Å; L608-F640 HydrophobicContact CB-CZ 4.13Å; A609-F640 HydrophobicContact CB-CB 4.01Å; A609-F640 HydrophobicContact CB-CD1 3.53Å; A609-F640 HydrophobicContact CB-CE1 4.41Å; A609-F640 HydrophobicContact CB-CG 4.07Å; F612-F640 HydrophobicContact CB-CD2 3.6Å; F612-F640 HydrophobicContact CB-CE2 3.32Å; F612-F640 HydrophobicContact CB-CG 4.5Å; F612-F640 HydrophobicContact CB-CZ 4.02Å; F612-F640 HydrophobicContact CG-CE2 4.09Å; I616-F640 HydrophobicContact CD1-CD2 3.89Å; I616-F640 HydrophobicContact CD1-CE2 4.44Å; Q636-F640 PolarHBondContact O-N 3.16Å; E637-F640 PolarHBondContact O-N 3.15Å; K638-F640 PolarHBondContact O-N 3.19Å; K638-F640 VanDerWaalsContact O-N 3.16Å; F640-M643 PolarHBondContact O-N 2.92Å; F640-S644 WeakPolarHBondContact CE1-OG 3.35Å; F640-S644 WeakPolarHBondContact CZ-OG 3.29Å; F640-S644 VanDerWaalsContact O-CB 3.31Å; F640-S644 WeakPolarHBondContact O-CB 3.37Å; F640-S644 PolarHBondContact O-N 2.96Å; F640-S644 PolarHBondContact O-OG 3.47Å
641	A	77.1	Confident	71.7	Confident	22 Å²	22	46.2 Å²	46.2	18%	0.182	24%	0.235	C	C	.	.	H	α-helix	trans	-60.4	-55.7	179.8	0	0	0	0	0	110.9	I605 E637 K638 M643 S644 E645	I605-A641 HydrophobicContact CG2-CB 4.1Å; E637-A641 WeakPolarHBondContact O-CB 3.46Å; E637-A641 PolarHBondContact O-N 3.03Å; K638-A641 WeakPolarHBondContact O-CB 3.35Å; K638-A641 PolarHBondContact O-N 3.02Å; A641-M643 PolarHBondContact O-N 2.97Å; A641-S644 WeakPolarHBondContact O-CA 3.48Å; A641-S644 PolarHBondContact O-N 3.18Å; A641-E645 VanDerWaalsContact O-CG 3.29Å; A641-E645 WeakPolarHBondContact O-CG 3.38Å; A641-E645 PolarHBondContact O-N 3.16Å; A641-E645 VanDerWaalsContact O-N 3.15Å
642	E	74.1	Confident	70.7	Confident	29 Å²	29	41.3 Å²	41.3	14%	0.136	21%	0.212	C	C	.	.	H	α-helix	trans	-54.7	-39.3	177	-60.7	-56.5	135.8	0	0	112.6	L562 Q565 I569 K638 S644	L562-E642 VanDerWaalsContact CD1-OE2 3.25Å; L562-E642 WeakPolarHBondContact CD1-OE2 3.49Å; Q565-E642 HydrophobicContact CG-CG 4.4Å; I569-E642 HydrophobicContact CD1-CB 3.27Å; I569-E642 HydrophobicContact CD1-CG 3.76Å; K638-E642 WeakPolarHBondContact O-CG 3.48Å; K638-E642 PolarHBondContact O-N 3Å; E642-S644 PolarHBondContact O-N 3.42Å
643	M	74.1	Confident	69.8	Low	16 Å²	16	42.7 Å²	42.7	8%	0.079	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-12.2	177.3	-73.2	173.1	51.3	0	0	114.3	I544 F552 I569 I573 L584 I588 V639 F640 A641	I544-M643 HydrophobicContact CD1-CE 4.08Å; I544-M643 HydrophobicContact CD1-SD 4.31Å; F552-M643 HydrophobicContact CD1-SD 3.69Å; F552-M643 HydrophobicContact CE1-CE 4.19Å; F552-M643 HydrophobicContact CE1-SD 3.58Å; F552-M643 VanDerWaalsContact CE1-SD 3.58Å; I569-M643 HydrophobicContact CG2-CG 3.41Å; I569-M643 VanDerWaalsContact CG2-CG 3.41Å; I569-M643 HydrophobicContact CG2-SD 4.34Å; I573-M643 HydrophobicContact CD1-CE 4.3Å; I573-M643 HydrophobicContact CD1-CG 4.25Å; L584-M643 HydrophobicContact CD1-CE 3.8Å; L584-M643 HydrophobicContact CD2-CE 3.73Å; L584-M643 HydrophobicContact CG-CE 4.06Å; I588-M643 HydrophobicContact CD1-CB 4.25Å; I588-M643 HydrophobicContact CD1-CE 3.61Å; I588-M643 WeakPolarHBondContact CG2-O 3.42Å; V639-M643 HydrophobicContact CG1-CG 4.47Å; V639-M643 HydrophobicContact CG1-SD 3.42Å; V639-M643 WeakPolarHBondContact CG1-SD 3.48Å; V639-M643 VanDerWaalsContact O-CB 3.28Å; V639-M643 WeakPolarHBondContact O-CB 3.48Å; V639-M643 WeakPolarHBondContact O-CG 3.32Å; V639-M643 PolarHBondContact O-N 2.72Å; V639-M643 VanDerWaalsContact O-N 3.13Å; F640-M643 PolarHBondContact O-N 2.92Å; A641-M643 PolarHBondContact O-N 2.97Å
644	S	64.9	Low	69.1	Low	2 Å²	2	45.1 Å²	45.1	1%	0.014	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.5	-9.4	-173.4	-57.3	0	0	0	0	114.2	Q592 I605 F640 A641 E642	Q592-S644 WeakPolarHBondContact CG-O 3.25Å; Q592-S644 PolarHBondContact NE2-O 3.41Å; I605-S644 WeakPolarHBondContact CD1-O 3.31Å; F640-S644 WeakPolarHBondContact CE1-OG 3.35Å; F640-S644 WeakPolarHBondContact CZ-OG 3.29Å; F640-S644 VanDerWaalsContact O-CB 3.31Å; F640-S644 WeakPolarHBondContact O-CB 3.37Å; F640-S644 PolarHBondContact O-N 2.96Å; F640-S644 PolarHBondContact O-OG 3.47Å; A641-S644 WeakPolarHBondContact O-CA 3.48Å; A641-S644 PolarHBondContact O-N 3.18Å; E642-S644 PolarHBondContact O-N 3.42Å
645	E	55.4	Low	68.8	Low	95 Å²	95	42.2 Å²	42.2	44%	0.444	21%	0.205	S	C	.	.	S	Bend	trans	-63.4	162	-179.7	-60.6	-138.9	140.4	0	0	112.8	Q592 A641	Q592-E645 PolarHBondContact NE2-O 3.46Å; Q592-E645 VanDerWaalsContact NE2-O 3.16Å; A641-E645 VanDerWaalsContact O-CG 3.29Å; A641-E645 WeakPolarHBondContact O-CG 3.38Å; A641-E645 PolarHBondContact O-N 3.16Å; A641-E645 VanDerWaalsContact O-N 3.15Å
646	E	50.6	Low	68.6	Low	163 Å²	163	39.5 Å²	39.5	76%	0.762	19%	0.193	S	C	*	.	S	Bend	trans	-68.3	169.2	-179.8	-63.6	-171.1	156.8	0	0	111.5	D648	E646-D648 PolarHBondContact O-N 3.05Å
647	F	48.1	Very low	68.5	Low	41 Å²	41	41.9 Å²	41.9	18%	0.18	21%	0.209	C	C	.	.			trans	-41.4	112	-178.1	172.6	-91.1	0	0	0	111.9	V649 L652 L987 D988	F647-V649 PolarHBondContact O-N 3.24Å; F647-V649 VanDerWaalsContact O-N 3.1Å; F647-L652 HydrophobicContact CE1-CB 4.1Å; F647-L652 HydrophobicContact CE1-CD1 3.93Å; F647-L652 HydrophobicContact CZ-CB 4.16Å; F647-L652 HydrophobicContact CZ-CD1 3.87Å; F647-L987 HydrophobicContact CE2-CB 4.36Å; F647-L987 HydrophobicContact CZ-CB 4.44Å; F647-L987 HydrophobicContact CZ-CD2 4.5Å; F647-D988 HydrophobicContact CD2-CB 4.31Å; F647-D988 HydrophobicContact CE2-CB 4.23Å
648	D	49.4	Very low	68.5	Low	23 Å²	23	42.3 Å²	42.3	12%	0.123	21%	0.212	C	C	.	.			trans	-60.8	115.5	179.9	175.4	24.7	0	0	0	109.8	M566 E646 N650 A651 L652	M566-D648 HydrophobicContact CE-CB 3.84Å; M566-D648 HydrophobicContact SD-CB 3.67Å; M566-D648 VanDerWaalsContact SD-CG 3.52Å; E646-D648 PolarHBondContact O-N 3.05Å; D648-N650 PolarHBondContact O-N 2.88Å; D648-N650 VanDerWaalsContact OD1-CB 3.32Å; D648-N650 WeakPolarHBondContact OD1-CB 3.45Å; D648-N650 PolarHBondContact OD1-N 3.41Å; D648-N650 PolarHBondContact OD1-ND2 3.45Å; D648-A651 HydrophobicContact CB-CB 3.84Å; D648-A651 WeakPolarHBondContact O-CB 3.29Å; D648-A651 PolarHBondContact O-N 3.26Å; D648-A651 WeakPolarHBondContact OD2-CB 3.1Å; D648-A651 PolarHBondContact OD2-N 2.61Å; D648-L652 PolarHBondContact O-N 2.88Å
649	V	50.1	Low	68.9	Low	57 Å²	57	37.4 Å²	37.4	35%	0.345	19%	0.191	S	C	.	.	H	α-helix	trans	-64	-20.4	177.2	-177.7	0	0	0	0	110.5	F647 L652 Y653	F647-V649 PolarHBondContact O-N 3.24Å; F647-V649 VanDerWaalsContact O-N 3.1Å; V649-L652 WeakPolarHBondContact O-CB 3.45Å; V649-Y653 VanDerWaalsContact O-CE2 3.3Å; V649-Y653 WeakPolarHBondContact O-CE2 3.15Å
650	N	48.7	Very low	69.3	Low	54 Å²	54	37.4 Å²	37.4	29%	0.289	19%	0.191	S	C	.	.	H	α-helix	trans	-81.6	-38.4	176.9	-49.8	-67.7	0	0	0	112.1	T563 D648 L652 Y653	T563-N650 HydrophobicContact CG2-CB 3.5Å; T563-N650 VanDerWaalsContact CG2-CB 3.5Å; T563-N650 WeakPolarHBondContact OG1-CB 3.33Å; D648-N650 PolarHBondContact O-N 2.88Å; D648-N650 VanDerWaalsContact OD1-CB 3.32Å; D648-N650 WeakPolarHBondContact OD1-CB 3.45Å; D648-N650 PolarHBondContact OD1-N 3.41Å; D648-N650 PolarHBondContact OD1-ND2 3.45Å; N650-L652 PolarHBondContact O-N 3.45Å; N650-L652 VanDerWaalsContact O-N 3.15Å; N650-Y653 WeakPolarHBondContact O-CD2 3.4Å; N650-Y653 PolarHBondContact O-N 2.97Å
651	A	57.1	Low	69.6	Low	16 Å²	16	44 Å²	44	13%	0.132	22%	0.219	C	C	.	.	H	α-helix	trans	-57.6	-23.9	169	0	0	0	0	0	113.2	D648 Y653 E654 F655	D648-A651 HydrophobicContact CB-CB 3.84Å; D648-A651 WeakPolarHBondContact O-CB 3.29Å; D648-A651 PolarHBondContact O-N 3.26Å; D648-A651 WeakPolarHBondContact OD2-CB 3.1Å; D648-A651 PolarHBondContact OD2-N 2.61Å; A651-Y653 VanDerWaalsContact C-N 3.32Å; A651-Y653 PolarHBondContact O-N 3.45Å; A651-E654 PolarHBondContact O-N 3.14Å; A651-F655 HydrophobicContact CB-CD2 4.38Å; A651-F655 HydrophobicContact CB-CE2 3.64Å; A651-F655 HydrophobicContact CB-CZ 3.83Å; A651-F655 WeakPolarHBondContact O-CD2 3.42Å; A651-F655 WeakPolarHBondContact O-CE2 3.49Å; A651-F655 WeakPolarHBondContact O-CG 3.35Å; A651-F655 PolarHBondContact O-N 2.89Å
652	L	63.8	Low	70.2	Confident	1 Å²	1	45.4 Å²	45.4	1%	0.005	22%	0.22	C	C	.	.	H	α-helix	trans	-49.8	-50.9	167.3	-171	76.9	0	0	0	111.4	F647 D648 V649 N650 E654 F655 L656 E717 V960 P962 L987	F647-L652 HydrophobicContact CE1-CB 4.1Å; F647-L652 HydrophobicContact CE1-CD1 3.93Å; F647-L652 HydrophobicContact CZ-CB 4.16Å; F647-L652 HydrophobicContact CZ-CD1 3.87Å; D648-L652 PolarHBondContact O-N 2.88Å; V649-L652 WeakPolarHBondContact O-CB 3.45Å; N650-L652 PolarHBondContact O-N 3.45Å; N650-L652 VanDerWaalsContact O-N 3.15Å; L652-E654 VanDerWaalsContact C-N 3.32Å; L652-E654 PolarHBondContact O-N 2.96Å; L652-F655 PolarHBondContact O-N 3.48Å; L652-F655 VanDerWaalsContact O-N 3.15Å; L652-L656 HydrophobicContact CD1-CD1 4.41Å; L652-L656 HydrophobicContact CD1-CD2 4.45Å; L652-L656 HydrophobicContact CD1-CG 4.27Å; L652-L656 HydrophobicContact CD2-CD1 4.1Å; L652-L656 HydrophobicContact CG-CD1 3.74Å; L652-L656 HydrophobicContact CG-CG 3.98Å; L652-L656 WeakPolarHBondContact O-CB 3.41Å; L652-L656 VanDerWaalsContact O-CG 3.26Å; L652-L656 WeakPolarHBondContact O-CG 3.31Å; L652-L656 PolarHBondContact O-N 3.15Å; L652-E717 HydrophobicContact CD2-CG 4.24Å; L652-V960 HydrophobicContact CD1-CB 4.26Å; L652-V960 HydrophobicContact CD1-CG1 3.63Å; L652-P962 HydrophobicContact CD2-CB 3.68Å; L652-L987 HydrophobicContact CD1-CD2 3.79Å
653	Y	66.9	Low	71.1	Confident	57 Å²	57	44.1 Å²	44.1	22%	0.224	21%	0.214	C	C	.	.	H	α-helix	trans	-70.5	-27	-174.5	-52.3	-66.5	0	0	0	113.1	V649 N650 A651 P657 N691 E717	V649-Y653 VanDerWaalsContact O-CE2 3.3Å; V649-Y653 WeakPolarHBondContact O-CE2 3.15Å; N650-Y653 WeakPolarHBondContact O-CD2 3.4Å; N650-Y653 PolarHBondContact O-N 2.97Å; A651-Y653 VanDerWaalsContact C-N 3.32Å; A651-Y653 PolarHBondContact O-N 3.45Å; Y653-P657 WeakPolarHBondContact O-CD 3.48Å; Y653-N691 HydrophobicContact CD1-CB 4.33Å; Y653-N691 HydrophobicContact CE1-CB 3.66Å; Y653-N691 VanDerWaalsContact CZ-CG 3.41Å; Y653-N691 PolarHBondContact OH-OD1 3.4Å; Y653-N691 VanDerWaalsContact OH-OD1 3.13Å; Y653-E717 HydrophobicContact CE1-CG 3.85Å; Y653-E717 PolarHBondContact OH-OE1 3.38Å
654	E	69.3	Low	72.1	Confident	89 Å²	89	44.1 Å²	44.1	42%	0.416	21%	0.214	S	C	.	.	H	α-helix	trans	-70.3	-35.2	172.4	-167.4	-173.2	139	0	0	111.4	Q567 A651 L652	Q567-E654 PolarHBondContact NE2-OE2 2.98Å; A651-E654 PolarHBondContact O-N 3.14Å; L652-E654 VanDerWaalsContact C-N 3.32Å; L652-E654 PolarHBondContact O-N 2.96Å
655	F	80	Confident	73.5	Confident	10 Å²	10	44.3 Å²	44.3	4%	0.044	22%	0.215	C	C	.	.	H	α-helix	trans	-99.1	-25.6	-170.7	-49.7	-24.2	0	0	0	114.2	A651 L652 P657 I658 Y659 L987 R991	A651-F655 HydrophobicContact CB-CD2 4.38Å; A651-F655 HydrophobicContact CB-CE2 3.64Å; A651-F655 HydrophobicContact CB-CZ 3.83Å; A651-F655 WeakPolarHBondContact O-CD2 3.42Å; A651-F655 WeakPolarHBondContact O-CE2 3.49Å; A651-F655 WeakPolarHBondContact O-CG 3.35Å; A651-F655 PolarHBondContact O-N 2.89Å; L652-F655 PolarHBondContact O-N 3.48Å; L652-F655 VanDerWaalsContact O-N 3.15Å; F655-P657 VanDerWaalsContact C-CD 3.46Å; F655-P657 VanDerWaalsContact C-N 3.35Å; F655-I658 WeakPolarHBondContact O-CB 3.49Å; F655-I658 PolarHBondContact O-N 3.2Å; F655-Y659 PolarHBondContact O-N 3.27Å; F655-L987 HydrophobicContact CB-CD1 4.08Å; F655-L987 HydrophobicContact CB-CD2 3.73Å; F655-L987 HydrophobicContact CB-CG 3.76Å; F655-L987 HydrophobicContact CD2-CG 4.43Å; F655-R991 HydrophobicContact CD1-CG 4.38Å; F655-R991 VanDerWaalsContact CE1-NH1 3.26Å; F655-R991 HydrophobicContact CG-CG 4.43Å
656	L	85.4	Confident	75.4	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-52.1	-43.4	173.9	-79.6	174.1	0	0	0	112.9	L652 I658 Y659 Y660 V715 V960 L987	L652-L656 HydrophobicContact CD1-CD1 4.41Å; L652-L656 HydrophobicContact CD1-CD2 4.45Å; L652-L656 HydrophobicContact CD1-CG 4.27Å; L652-L656 HydrophobicContact CD2-CD1 4.1Å; L652-L656 HydrophobicContact CG-CD1 3.74Å; L652-L656 HydrophobicContact CG-CG 3.98Å; L652-L656 WeakPolarHBondContact O-CB 3.41Å; L652-L656 VanDerWaalsContact O-CG 3.26Å; L652-L656 WeakPolarHBondContact O-CG 3.31Å; L652-L656 PolarHBondContact O-N 3.15Å; L656-I658 VanDerWaalsContact C-N 3.27Å; L656-I658 PolarHBondContact O-N 2.91Å; L656-Y659 PolarHBondContact O-N 3.39Å; L656-Y660 HydrophobicContact CB-CD2 4.24Å; L656-Y660 HydrophobicContact CB-CE2 4.21Å; L656-Y660 HydrophobicContact CD2-CD2 4.41Å; L656-Y660 HydrophobicContact CD2-CE2 3.75Å; L656-Y660 HydrophobicContact CG-CE2 4.44Å; L656-Y660 WeakPolarHBondContact O-CB 3.4Å; L656-Y660 VanDerWaalsContact O-CD2 3.22Å; L656-Y660 WeakPolarHBondContact O-CD2 3.34Å; L656-Y660 PolarHBondContact O-N 2.6Å; L656-V715 HydrophobicContact CB-CG1 3.49Å; L656-V715 VanDerWaalsContact CB-CG1 3.49Å; L656-V715 HydrophobicContact CD1-CG1 4.31Å; L656-V960 HydrophobicContact CD2-CB 4Å; L656-V960 HydrophobicContact CD2-CG2 3.52Å; L656-L987 HydrophobicContact CD2-CD2 4.32Å; L656-L987 HydrophobicContact CG-CD2 4.3Å
657	P	86.1	Confident	77.4	Confident	51 Å²	51	39.7 Å²	39.7	33%	0.331	19%	0.19	S	C	.	.	H	α-helix	trans	-59.7	-34.7	175.5	-24	33.3	0	0	0	113.6	Y653 F655 K661 V715	Y653-P657 WeakPolarHBondContact O-CD 3.48Å; F655-P657 VanDerWaalsContact C-CD 3.46Å; F655-P657 VanDerWaalsContact C-N 3.35Å; P657-K661 WeakPolarHBondContact O-CB 3.45Å; P657-K661 PolarHBondContact O-N 2.93Å; P657-V715 HydrophobicContact CG-CG1 3.79Å; P657-V715 HydrophobicContact CG-CG2 4.13Å
658	I	86.8	Confident	79.6	Confident	55 Å²	55	38.1 Å²	38.1	28%	0.282	19%	0.185	S	C	.	.	H	α-helix	trans	-74.3	-44.6	178	-57.2	176.6	0	0	0	109.7	F655 L656 K661 R662 L994	F655-I658 WeakPolarHBondContact O-CB 3.49Å; F655-I658 PolarHBondContact O-N 3.2Å; L656-I658 VanDerWaalsContact C-N 3.27Å; L656-I658 PolarHBondContact O-N 2.91Å; I658-K661 PolarHBondContact O-N 2.79Å; I658-K661 VanDerWaalsContact O-N 3.12Å; I658-R662 WeakPolarHBondContact O-CB 3.42Å; I658-R662 PolarHBondContact O-N 3.44Å; I658-L994 HydrophobicContact CG2-CD1 3.8Å
659	Y	91.8	Very high	81.8	Confident	2 Å²	2	37.3 Å²	37.3	1%	0.008	18%	0.18	C	C	.	.	H	α-helix	trans	-58.3	-52.6	176.8	178.4	-100.9	0	0	0	112	F655 L656 K661 R662 L663 F664 F958 V960 I967 L987 L990 L1024	F655-Y659 PolarHBondContact O-N 3.27Å; L656-Y659 PolarHBondContact O-N 3.39Å; Y659-K661 PolarHBondContact O-N 2.98Å; Y659-R662 PolarHBondContact O-N 2.8Å; Y659-L663 HydrophobicContact CD2-CB 3.66Å; Y659-L663 HydrophobicContact CD2-CD1 3.79Å; Y659-L663 HydrophobicContact CD2-CG 4.34Å; Y659-L663 HydrophobicContact CE2-CB 3.78Å; Y659-L663 HydrophobicContact CE2-CD1 4.34Å; Y659-L663 HydrophobicContact CG-CB 4.44Å; Y659-L663 PolarHBondContact O-N 3.12Å; Y659-F664 HydrophobicContact CD1-CB 4.5Å; Y659-F664 HydrophobicContact CE1-CB 4.12Å; Y659-F664 AromaticContact CE1-CD2 3.86Å; Y659-F664 HydrophobicContact CE1-CD2 3.86Å; Y659-F664 HydrophobicContact CE1-CG 4.49Å; Y659-F664 PolarHBondContact O-N 3.27Å; Y659-F958 WeakPolarHBondContact CE1-O 3.33Å; Y659-F958 PolarHBondContact OH-O 3.46Å; Y659-V960 HydrophobicContact CD1-CG2 3.94Å; Y659-V960 HydrophobicContact CE1-CG2 3.94Å; Y659-V960 HydrophobicContact CG-CG2 4.43Å; Y659-I967 HydrophobicContact CD2-CD1 4.3Å; Y659-I967 HydrophobicContact CE2-CD1 3.63Å; Y659-I967 HydrophobicContact CE2-CG1 4.31Å; Y659-L987 HydrophobicContact CD2-CD1 3.91Å; Y659-L987 HydrophobicContact CG-CD1 3.9Å; Y659-L990 HydrophobicContact CE2-CD1 4.31Å; Y659-L1024 HydrophobicContact CE2-CD2 4.17Å
660	Y	92.6	Very high	84	Confident	0 Å²	0	35.3 Å²	35.3	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-67.6	-12.9	175.5	-71.3	-51.6	0	0	0	114	L656 F664 Y666 V711 P716 I719	L656-Y660 HydrophobicContact CB-CD2 4.24Å; L656-Y660 HydrophobicContact CB-CE2 4.21Å; L656-Y660 HydrophobicContact CD2-CD2 4.41Å; L656-Y660 HydrophobicContact CD2-CE2 3.75Å; L656-Y660 HydrophobicContact CG-CE2 4.44Å; L656-Y660 WeakPolarHBondContact O-CB 3.4Å; L656-Y660 VanDerWaalsContact O-CD2 3.22Å; L656-Y660 WeakPolarHBondContact O-CD2 3.34Å; L656-Y660 PolarHBondContact O-N 2.6Å; Y660-F664 HydrophobicContact CD1-CB 3.91Å; Y660-F664 HydrophobicContact CD1-CD2 4.06Å; Y660-F664 AromaticContact CD1-CG 3.94Å; Y660-F664 HydrophobicContact CD1-CG 3.94Å; Y660-F664 AromaticContact CE1-CD2 3.86Å; Y660-F664 HydrophobicContact CE1-CD2 3.86Å; Y660-F664 HydrophobicContact CE1-CE2 4.25Å; Y660-F664 HydrophobicContact CE1-CG 4.2Å; Y660-Y666 WeakPolarHBondContact O-CE2 3.49Å; Y660-Y666 PolarHBondContact O-OH 3.45Å; Y660-V711 HydrophobicContact CD1-CG1 3.33Å; Y660-V711 HydrophobicContact CD2-CG1 3.9Å; Y660-V711 HydrophobicContact CE1-CG1 3.69Å; Y660-V711 HydrophobicContact CE2-CG1 4.2Å; Y660-V711 HydrophobicContact CG-CG1 3.46Å; Y660-V711 VanDerWaalsContact CG-CG1 3.46Å; Y660-P716 HydrophobicContact CE2-CG 4.14Å; Y660-P716 VanDerWaalsContact CE2-O 3.26Å; Y660-P716 WeakPolarHBondContact CE2-O 3.4Å; Y660-P716 PolarHBondContact OH-O 3.23Å; Y660-I719 HydrophobicContact CE1-CD1 3.88Å
661	K	90	Very high	86.1	Confident	140 Å²	140	37.1 Å²	37.1	61%	0.609	17%	0.173	S	C	*	.	H	α-helix	trans	-92	-30	173.4	-177.6	179.3	177.2	-175.6	0	113.3	P657 I658 Y659	P657-K661 WeakPolarHBondContact O-CB 3.45Å; P657-K661 PolarHBondContact O-N 2.93Å; I658-K661 PolarHBondContact O-N 2.79Å; I658-K661 VanDerWaalsContact O-N 3.12Å; Y659-K661 PolarHBondContact O-N 2.98Å
662	R	89.6	Confident	88	Confident	52 Å²	52	36.4 Å²	36.4	20%	0.196	17%	0.167	C	C	.	.	H	α-helix	trans	-126.1	-24.5	-164.6	-60.3	-178.5	69.5	174.6	8.2	115.7	I658 Y659 L994 D998 D1018	I658-R662 WeakPolarHBondContact O-CB 3.42Å; I658-R662 PolarHBondContact O-N 3.44Å; Y659-R662 PolarHBondContact O-N 2.8Å; R662-L994 HydrophobicContact CB-CD1 4.27Å; R662-D998 IonicContact CZ-OD1 3.5Å; R662-D998 IonicContact CZ-OD2 2.75Å; R662-D998 VanDerWaalsContact CZ-OD2 3.28Å; R662-D998 IonicContact NH1-OD1 3.27Å; R662-D998 IonicContact NH1-OD2 3.27Å; R662-D998 PolarHBondContact NH1-OD2 2.94Å; R662-D998 VanDerWaalsContact NH2-CG 3.33Å; R662-D998 IonicContact NH2-OD1 2.83Å; R662-D998 PolarHBondContact NH2-OD1 3.02Å; R662-D998 IonicContact NH2-OD2 3.55Å; R662-D998 PolarHBondContact NH2-OD2 3.43Å; R662-D998 VanDerWaalsContact NH2-OD2 3.07Å; R662-D1018 IonicContact CZ-OD2 3.9Å; R662-D1018 VanDerWaalsContact CZ-OD2 3.24Å; R662-D1018 IonicContact NE-OD2 2.95Å; R662-D1018 PolarHBondContact NE-OD2 3.29Å; R662-D1018 VanDerWaalsContact NH2-CG 3.29Å; R662-D1018 IonicContact NH2-OD1 2.99Å; R662-D1018 PolarHBondContact NH2-OD1 2.67Å; R662-D1018 IonicContact NH2-OD2 2.81Å; R662-D1018 PolarHBondContact NH2-OD2 3.2Å
663	L	93.1	Very high	89.6	Confident	2 Å²	2	36.3 Å²	36.3	1%	0.01	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-121.1	-35	-167.1	-64.4	176.4	0	0	0	113.9	Y659 L990 L994 T1022 L1024	Y659-L663 HydrophobicContact CD2-CB 3.66Å; Y659-L663 HydrophobicContact CD2-CD1 3.79Å; Y659-L663 HydrophobicContact CD2-CG 4.34Å; Y659-L663 HydrophobicContact CE2-CB 3.78Å; Y659-L663 HydrophobicContact CE2-CD1 4.34Å; Y659-L663 HydrophobicContact CG-CB 4.44Å; Y659-L663 PolarHBondContact O-N 3.12Å; L663-L990 HydrophobicContact CD1-CB 3.79Å; L663-L990 HydrophobicContact CD1-CD1 4.39Å; L663-L994 HydrophobicContact CD1-CD1 3.7Å; L663-L994 HydrophobicContact CD1-CG 4.17Å; L663-L994 HydrophobicContact CD2-CD1 4.35Å; L663-L994 HydrophobicContact CD2-CD2 3.92Å; L663-L994 HydrophobicContact CD2-CG 4.29Å; L663-L994 HydrophobicContact CG-CD1 3.96Å; L663-L994 HydrophobicContact CG-CD2 4.4Å; L663-L994 HydrophobicContact CG-CG 4.41Å; L663-T1022 HydrophobicContact CD2-CG2 3.93Å; L663-L1024 HydrophobicContact CB-CD2 4.4Å
664	F	94.8	Very high	90.9	Very high	17 Å²	17	34.3 Å²	34.3	8%	0.075	16%	0.161	C	C	.	.	S	Bend	trans	-63	126.4	-178.5	-171.4	-94.1	0	0	0	111.6	Y659 Y660 Y666 V669 I719 F958	Y659-F664 HydrophobicContact CD1-CB 4.5Å; Y659-F664 HydrophobicContact CE1-CB 4.12Å; Y659-F664 AromaticContact CE1-CD2 3.86Å; Y659-F664 HydrophobicContact CE1-CD2 3.86Å; Y659-F664 HydrophobicContact CE1-CG 4.49Å; Y659-F664 PolarHBondContact O-N 3.27Å; Y660-F664 HydrophobicContact CD1-CB 3.91Å; Y660-F664 HydrophobicContact CD1-CD2 4.06Å; Y660-F664 AromaticContact CD1-CG 3.94Å; Y660-F664 HydrophobicContact CD1-CG 3.94Å; Y660-F664 AromaticContact CE1-CD2 3.86Å; Y660-F664 HydrophobicContact CE1-CD2 3.86Å; Y660-F664 HydrophobicContact CE1-CE2 4.25Å; Y660-F664 HydrophobicContact CE1-CG 4.2Å; F664-Y666 VanDerWaalsContact C-N 3.31Å; F664-Y666 HydrophobicContact CB-CD2 4.46Å; F664-Y666 HydrophobicContact CB-CE2 3.99Å; F664-Y666 AromaticContact CD1-CD1 3.59Å; F664-Y666 HydrophobicContact CD1-CD1 3.59Å; F664-Y666 AromaticContact CD1-CD2 3.88Å; F664-Y666 HydrophobicContact CD1-CD2 3.88Å; F664-Y666 AromaticContact CD1-CE1 3.55Å; F664-Y666 HydrophobicContact CD1-CE1 3.55Å; F664-Y666 AromaticContact CD1-CE2 3.84Å; F664-Y666 HydrophobicContact CD1-CE2 3.84Å; F664-Y666 AromaticContact CD1-CG 3.76Å; F664-Y666 HydrophobicContact CD1-CG 3.76Å; F664-Y666 AromaticContact CD1-CZ 3.69Å; F664-Y666 AromaticContact CE1-CD1 3.82Å; F664-Y666 HydrophobicContact CE1-CD1 3.82Å; F664-Y666 AromaticContact CE1-CE1 3.94Å; F664-Y666 HydrophobicContact CE1-CE1 3.94Å; F664-Y666 HydrophobicContact CE1-CG 4.28Å; F664-Y666 HydrophobicContact CG-CE2 4.39Å; F664-Y666 WeakPolarHBondContact O-CD2 3.47Å; F664-Y666 PolarHBondContact O-N 3.04Å; F664-V669 HydrophobicContact CE1-CG2 4.1Å; F664-V669 HydrophobicContact CZ-CG2 4.06Å; F664-I719 HydrophobicContact CZ-CD1 4.41Å; F664-F958 HydrophobicContact CD2-CB 3.92Å; F664-F958 WeakPolarHBondContact CD2-O 3.35Å; F664-F958 HydrophobicContact CE2-CB 3.78Å; F664-F958 WeakPolarHBondContact CE2-O 3.47Å
665	P	95	Very high	92	Very high	5 Å²	5	30.9 Å²	30.9	3%	0.032	14%	0.144	C	C	.	.			trans	-86.2	60.5	-168.4	34.5	-36.4	0	0	0	113.1	K667 S668 V669 F958 I1028	P665-K667 VanDerWaalsContact C-N 3.28Å; P665-K667 PolarHBondContact O-N 2.7Å; P665-K667 VanDerWaalsContact O-N 3.13Å; P665-S668 PolarHBondContact O-N 2.99Å; P665-V669 HydrophobicContact CG-CG2 4.3Å; P665-V669 PolarHBondContact O-N 3.13Å; P665-F958 HydrophobicContact CG-CB 4.23Å; P665-F958 HydrophobicContact CG-CD1 4.1Å; P665-F958 HydrophobicContact CG-CD2 3.45Å; P665-F958 VanDerWaalsContact CG-CD2 3.45Å; P665-F958 HydrophobicContact CG-CE1 4.37Å; P665-F958 HydrophobicContact CG-CE2 3.79Å; P665-F958 HydrophobicContact CG-CG 3.64Å; P665-F958 HydrophobicContact CG-CZ 4.22Å; P665-I1028 HydrophobicContact CB-CD1 4.09Å; P665-I1028 HydrophobicContact CB-CG1 4.34Å; P665-I1028 HydrophobicContact CB-CG2 4.42Å; P665-I1028 HydrophobicContact CG-CD1 4.25Å; P665-I1028 HydrophobicContact CG-CG1 4.27Å
666	Y	94.7	Very high	92.5	Very high	13 Å²	13	32.8 Å²	32.8	5%	0.051	17%	0.167	C	C	.	.	H	α-helix	trans	-46.8	-46.5	-176.2	-64.2	-84.3	0	0	0	114.1	Y660 F664 S668 V669 I670 L707 E708 V711	Y660-Y666 WeakPolarHBondContact O-CE2 3.49Å; Y660-Y666 PolarHBondContact O-OH 3.45Å; F664-Y666 VanDerWaalsContact C-N 3.31Å; F664-Y666 HydrophobicContact CB-CD2 4.46Å; F664-Y666 HydrophobicContact CB-CE2 3.99Å; F664-Y666 AromaticContact CD1-CD1 3.59Å; F664-Y666 HydrophobicContact CD1-CD1 3.59Å; F664-Y666 AromaticContact CD1-CD2 3.88Å; F664-Y666 HydrophobicContact CD1-CD2 3.88Å; F664-Y666 AromaticContact CD1-CE1 3.55Å; F664-Y666 HydrophobicContact CD1-CE1 3.55Å; F664-Y666 AromaticContact CD1-CE2 3.84Å; F664-Y666 HydrophobicContact CD1-CE2 3.84Å; F664-Y666 AromaticContact CD1-CG 3.76Å; F664-Y666 HydrophobicContact CD1-CG 3.76Å; F664-Y666 AromaticContact CD1-CZ 3.69Å; F664-Y666 AromaticContact CE1-CD1 3.82Å; F664-Y666 HydrophobicContact CE1-CD1 3.82Å; F664-Y666 AromaticContact CE1-CE1 3.94Å; F664-Y666 HydrophobicContact CE1-CE1 3.94Å; F664-Y666 HydrophobicContact CE1-CG 4.28Å; F664-Y666 HydrophobicContact CG-CE2 4.39Å; F664-Y666 WeakPolarHBondContact O-CD2 3.47Å; F664-Y666 PolarHBondContact O-N 3.04Å; Y666-S668 VanDerWaalsContact C-N 3.33Å; Y666-S668 PolarHBondContact O-N 3.4Å; Y666-V669 PolarHBondContact O-N 2.84Å; Y666-I670 WeakPolarHBondContact O-CB 3.35Å; Y666-I670 VanDerWaalsContact O-CG1 3.28Å; Y666-I670 WeakPolarHBondContact O-CG1 3.21Å; Y666-I670 PolarHBondContact O-N 2.88Å; Y666-L707 HydrophobicContact CD1-CD2 3.99Å; Y666-L707 HydrophobicContact CD1-CG 4.08Å; Y666-L707 HydrophobicContact CE1-CG 4.3Å; Y666-E708 HydrophobicContact CD1-CG 3.59Å; Y666-E708 HydrophobicContact CD2-CG 3.58Å; Y666-E708 HydrophobicContact CE1-CB 4.36Å; Y666-E708 HydrophobicContact CE1-CG 3.73Å; Y666-E708 HydrophobicContact CE2-CG 3.73Å; Y666-E708 HydrophobicContact CG-CG 3.5Å; Y666-V711 HydrophobicContact CE1-CB 4.2Å; Y666-V711 HydrophobicContact CE1-CG1 4.34Å; Y666-V711 HydrophobicContact CE1-CG2 4.32Å; Y666-V711 WeakPolarHBondContact OH-CG1 3.38Å
667	K	93.1	Very high	92.8	Very high	148 Å²	148	34.9 Å²	34.9	64%	0.643	18%	0.181	S	C	*	.	H	α-helix	trans	-57.9	-43.9	-179.7	-175.5	178.4	-179.8	177.9	0	112.2	P665 K671	P665-K667 VanDerWaalsContact C-N 3.28Å; P665-K667 PolarHBondContact O-N 2.7Å; P665-K667 VanDerWaalsContact O-N 3.13Å; K667-K671 VanDerWaalsContact O-CB 3.3Å; K667-K671 WeakPolarHBondContact O-CB 3.37Å; K667-K671 PolarHBondContact O-N 3.2Å
668	S	94.3	Very high	93	Very high	9 Å²	9	36.3 Å²	36.3	6%	0.063	19%	0.185	C	C	.	.	H	α-helix	trans	-72.7	-41.5	179.4	-54.5	0	0	0	0	110.9	P665 Y666 I670 K671 W672 D1032 I1035	P665-S668 PolarHBondContact O-N 2.99Å; Y666-S668 VanDerWaalsContact C-N 3.33Å; Y666-S668 PolarHBondContact O-N 3.4Å; S668-I670 VanDerWaalsContact C-N 3.33Å; S668-I670 PolarHBondContact O-N 3.02Å; S668-K671 PolarHBondContact O-N 2.72Å; S668-W672 PolarHBondContact O-N 2.83Å; S668-D1032 VanDerWaalsContact CB-OD1 3.29Å; S668-D1032 WeakPolarHBondContact CB-OD1 3.26Å; S668-D1032 PolarHBondContact OG-OD1 2.82Å; S668-I1035 VanDerWaalsContact O-CD1 3.22Å; S668-I1035 WeakPolarHBondContact O-CD1 3.34Å
669	V	95.4	Very high	93.3	Very high	5 Å²	5	37.7 Å²	37.7	3%	0.03	20%	0.196	C	C	.	.	H	α-helix	trans	-59.4	-42.5	176.2	172.7	0	0	0	0	111.6	F664 P665 Y666 W672 L673 F958 F1031	F664-V669 HydrophobicContact CE1-CG2 4.1Å; F664-V669 HydrophobicContact CZ-CG2 4.06Å; P665-V669 HydrophobicContact CG-CG2 4.3Å; P665-V669 PolarHBondContact O-N 3.13Å; Y666-V669 PolarHBondContact O-N 2.84Å; V669-W672 WeakPolarHBondContact O-CB 3.32Å; V669-W672 PolarHBondContact O-N 2.88Å; V669-L673 HydrophobicContact CG1-CD1 3.85Å; V669-L673 WeakPolarHBondContact O-CG 3.21Å; V669-L673 PolarHBondContact O-N 3.05Å; V669-F958 HydrophobicContact CG2-CD2 4.47Å; V669-F1031 HydrophobicContact CG2-CE1 4.04Å; V669-F1031 HydrophobicContact CG2-CZ 4.46Å
670	I	94.9	Very high	93.5	Very high	16 Å²	16	38.7 Å²	38.7	8%	0.082	20%	0.2	C	C	.	.	H	α-helix	trans	-73.4	-38.8	177.8	-64.2	167.1	0	0	0	111.2	Y666 S668 W672 L673 S674 F681 Q704 L707	Y666-I670 WeakPolarHBondContact O-CB 3.35Å; Y666-I670 VanDerWaalsContact O-CG1 3.28Å; Y666-I670 WeakPolarHBondContact O-CG1 3.21Å; Y666-I670 PolarHBondContact O-N 2.88Å; S668-I670 VanDerWaalsContact C-N 3.33Å; S668-I670 PolarHBondContact O-N 3.02Å; I670-W672 PolarHBondContact O-N 3.43Å; I670-L673 PolarHBondContact O-N 2.82Å; I670-S674 WeakPolarHBondContact O-CB 3.33Å; I670-S674 PolarHBondContact O-N 3.07Å; I670-S674 PolarHBondContact O-OG 3.07Å; I670-F681 HydrophobicContact CB-CE2 4.31Å; I670-F681 HydrophobicContact CD1-CZ 4.29Å; I670-F681 HydrophobicContact CG1-CE2 3.82Å; I670-F681 HydrophobicContact CG1-CZ 3.78Å; I670-F681 HydrophobicContact CG2-CD2 4.21Å; I670-F681 HydrophobicContact CG2-CE2 4.16Å; I670-F681 HydrophobicContact CG2-CG 4.44Å; I670-F681 HydrophobicContact CG2-CZ 4.34Å; I670-Q704 HydrophobicContact CD1-CB 3.39Å; I670-Q704 HydrophobicContact CD1-CG 3.62Å; I670-L707 HydrophobicContact CD1-CD2 4Å; I670-L707 HydrophobicContact CG1-CD2 3.99Å
671	K	94.2	Very high	93.6	Very high	92 Å²	92	38.7 Å²	38.7	40%	0.4	20%	0.2	S	C	.	.	H	α-helix	trans	-60.7	-35.7	175	-170.2	-173.8	169.7	-157.9	0	111.5	K667 S668 S674 I1035	K667-K671 VanDerWaalsContact O-CB 3.3Å; K667-K671 WeakPolarHBondContact O-CB 3.37Å; K667-K671 PolarHBondContact O-N 3.2Å; S668-K671 PolarHBondContact O-N 2.72Å; K671-S674 PolarHBondContact O-OG 3.46Å; K671-I1035 HydrophobicContact CB-CG2 4.09Å; K671-I1035 HydrophobicContact CD-CG2 3.49Å; K671-I1035 VanDerWaalsContact CD-CG2 3.49Å; K671-I1035 HydrophobicContact CG-CG2 3.59Å
672	W	96.1	Very high	94	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-65.2	-62.1	170	174.9	33.3	0	0	0	111.7	S668 V669 I670 S674 Y675 I721 L795 W807 C809 P957 F1031 I1035	S668-W672 PolarHBondContact O-N 2.83Å; V669-W672 WeakPolarHBondContact O-CB 3.32Å; V669-W672 PolarHBondContact O-N 2.88Å; I670-W672 PolarHBondContact O-N 3.43Å; W672-S674 VanDerWaalsContact C-N 3.28Å; W672-S674 PolarHBondContact O-N 3.36Å; W672-Y675 PolarHBondContact NE1-OH 3.37Å; W672-Y675 WeakPolarHBondContact O-CD2 3.43Å; W672-Y675 WeakPolarHBondContact O-CE2 3.49Å; W672-Y675 PolarHBondContact O-N 3.03Å; W672-I721 HydrophobicContact CH2-CD1 4.2Å; W672-I721 HydrophobicContact CZ3-CD1 3.74Å; W672-L795 HydrophobicContact CH2-CD2 4.33Å; W672-L795 HydrophobicContact CZ2-CD2 3.93Å; W672-W807 AromaticContact CH2-CD2 3.82Å; W672-W807 HydrophobicContact CH2-CD2 3.82Å; W672-W807 AromaticContact CH2-CE3 3.84Å; W672-W807 HydrophobicContact CH2-CE3 3.84Å; W672-W807 HydrophobicContact CH2-CG 4.18Å; W672-W807 HydrophobicContact CH2-CZ3 4.34Å; W672-W807 HydrophobicContact CZ2-CB 4.05Å; W672-W807 AromaticContact CZ2-CD2 3.98Å; W672-W807 HydrophobicContact CZ2-CD2 3.98Å; W672-W807 AromaticContact CZ2-CE3 3.92Å; W672-W807 HydrophobicContact CZ2-CE3 3.92Å; W672-W807 HydrophobicContact CZ2-CG 4.05Å; W672-C809 PolarHBondContact NE1-SG 2.93Å; W672-P957 HydrophobicContact CE3-CG 4.32Å; W672-P957 HydrophobicContact CH2-CG 3.79Å; W672-P957 HydrophobicContact CZ3-CG 3.52Å; W672-F1031 HydrophobicContact CB-CE2 4.46Å; W672-F1031 HydrophobicContact CB-CZ 3.96Å; W672-F1031 HydrophobicContact CD2-CE2 4.09Å; W672-F1031 AromaticContact CD2-CZ 4Å; W672-F1031 HydrophobicContact CD2-CZ 4Å; W672-F1031 HydrophobicContact CE3-CE2 4.06Å; W672-F1031 AromaticContact CE3-CZ 3.69Å; W672-F1031 HydrophobicContact CE3-CZ 3.69Å; W672-F1031 HydrophobicContact CG-CE2 4.32Å; W672-F1031 HydrophobicContact CG-CZ 4.18Å; W672-F1031 HydrophobicContact CZ3-CZ 4.5Å; W672-I1035 HydrophobicContact CB-CD1 4.14Å; W672-I1035 HydrophobicContact CB-CG1 4.01Å
673	L	96.6	Very high	94.4	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-71.9	-16.6	-168.3	-64.9	173.7	0	0	0	115	V669 I670 F681 F686 I721	V669-L673 HydrophobicContact CG1-CD1 3.85Å; V669-L673 WeakPolarHBondContact O-CG 3.21Å; V669-L673 PolarHBondContact O-N 3.05Å; I670-L673 PolarHBondContact O-N 2.82Å; L673-F681 HydrophobicContact CB-CD2 4.06Å; L673-F681 HydrophobicContact CB-CE2 4.33Å; L673-F686 HydrophobicContact CD1-CE1 3.77Å; L673-F686 HydrophobicContact CD1-CZ 3.61Å; L673-I721 HydrophobicContact CD1-CD1 4Å; L673-I721 HydrophobicContact CD1-CG1 4.49Å; L673-I721 HydrophobicContact CD1-CG2 4.34Å; L673-I721 HydrophobicContact CD2-CD1 4.31Å; L673-I721 HydrophobicContact CD2-CG2 3.93Å
674	S	94.9	Very high	94.6	Very high	14 Å²	14	34.5 Å²	34.5	10%	0.098	18%	0.182	C	C	.	.	H	α-helix	trans	-80.4	-25.1	174.2	57.6	0	0	0	0	113.8	I670 K671 W672 G676 S677	I670-S674 WeakPolarHBondContact O-CB 3.33Å; I670-S674 PolarHBondContact O-N 3.07Å; I670-S674 PolarHBondContact O-OG 3.07Å; K671-S674 PolarHBondContact O-OG 3.46Å; W672-S674 VanDerWaalsContact C-N 3.28Å; W672-S674 PolarHBondContact O-N 3.36Å; S674-G676 PolarHBondContact O-N 3.48Å; S674-S677 WeakPolarHBondContact CB-O 3.46Å; S674-S677 PolarHBondContact O-N 2.76Å
675	Y	93.6	Very high	94.7	Very high	18 Å²	18	33.7 Å²	33.7	7%	0.071	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	47.2	33.7	-171	-63.6	-86.2	0	0	0	113.4	W672 Y680 E744 C809 R814 M1038	W672-Y675 PolarHBondContact NE1-OH 3.37Å; W672-Y675 WeakPolarHBondContact O-CD2 3.43Å; W672-Y675 WeakPolarHBondContact O-CE2 3.49Å; W672-Y675 PolarHBondContact O-N 3.03Å; Y675-Y680 HydrophobicContact CD2-CD1 4.07Å; Y675-Y680 AromaticContact CD2-CE1 3.55Å; Y675-Y680 HydrophobicContact CD2-CE1 3.55Å; Y675-Y680 HydrophobicContact CE2-CE1 4.16Å; Y675-Y680 HydrophobicContact CG-CE1 4.46Å; Y675-E744 VanDerWaalsContact CE2-OE1 3.31Å; Y675-E744 WeakPolarHBondContact CE2-OE1 3.32Å; Y675-E744 WeakPolarHBondContact OH-CG 3.37Å; Y675-E744 PolarHBondContact OH-OE1 3.02Å; Y675-C809 HydrophobicContact CE1-CB 4.1Å; Y675-C809 WeakPolarHBondContact CE1-O 3.39Å; Y675-C809 WeakPolarHBondContact OH-CB 3.45Å; Y675-C809 PolarHBondContact OH-SG 3.15Å; Y675-C809 VanDerWaalsContact OH-SG 3.4Å; Y675-R814 VanDerWaalsContact CE1-NH1 3.3Å; Y675-M1038 HydrophobicContact CE1-SD 3.89Å
676	G	89.2	Confident	94.8	Very high	50 Å²	50	33.6 Å²	33.6	52%	0.515	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	88.4	-6.2	-178.4	0	0	0	0	0	115.3	S674 L1042	S674-G676 PolarHBondContact O-N 3.48Å; G676-L1042 VanDerWaalsContact N-CD2 3.3Å
677	S	91.2	Very high	94.9	Very high	44 Å²	44	33 Å²	33	31%	0.308	18%	0.175	S	C	.	.			trans	-117.9	122.7	178.1	173.3	0	0	0	0	112.8	S674 T679 Y680 F681	S674-S677 WeakPolarHBondContact CB-O 3.46Å; S674-S677 PolarHBondContact O-N 2.76Å; S677-T679 VanDerWaalsContact C-N 3.33Å; S677-T679 PolarHBondContact OG-N 3.38Å; S677-T679 PolarHBondContact OG-OG1 3.01Å; S677-Y680 PolarHBondContact O-N 3.03Å; S677-Y680 PolarHBondContact OG-N 3.48Å; S677-F681 PolarHBondContact O-N 3.04Å
678	I	91.4	Very high	95	Very high	81 Å²	81	25.9 Å²	25.9	42%	0.415	14%	0.144	S	C	.	.	H	α-helix	trans	-71.8	-28	175.9	-164.1	62.5	0	0	0	112.4	F681 Q682 N702	I678-F681 HydrophobicContact CD1-CB 4.38Å; I678-F681 HydrophobicContact CD1-CD1 4.07Å; I678-F681 PolarHBondContact O-N 3.24Å; I678-Q682 WeakPolarHBondContact O-CB 3.48Å; I678-Q682 WeakPolarHBondContact O-CG 3.45Å; I678-Q682 PolarHBondContact O-N 2.87Å; I678-N702 WeakPolarHBondContact CG1-O 3.31Å
679	T	93.1	Very high	94.7	Very high	83 Å²	83	26.3 Å²	26.3	51%	0.509	15%	0.147	S	C	.	.	H	α-helix	trans	-73.2	-30.4	175.5	57.5	0	0	0	0	111.5	S677 R683	S677-T679 VanDerWaalsContact C-N 3.33Å; S677-T679 PolarHBondContact OG-N 3.38Å; S677-T679 PolarHBondContact OG-OG1 3.01Å; T679-R683 PolarHBondContact O-N 3.34Å
680	Y	95.2	Very high	94.2	Very high	24 Å²	24	27.5 Å²	27.5	9%	0.094	15%	0.153	C	C	.	.	H	α-helix	trans	-65.9	-45	169.7	-168.2	-92.2	0	0	0	111.2	Y675 S677 Q682 R683 V724 E742 R814	Y675-Y680 HydrophobicContact CD2-CD1 4.07Å; Y675-Y680 AromaticContact CD2-CE1 3.55Å; Y675-Y680 HydrophobicContact CD2-CE1 3.55Å; Y675-Y680 HydrophobicContact CE2-CE1 4.16Å; Y675-Y680 HydrophobicContact CG-CE1 4.46Å; S677-Y680 PolarHBondContact O-N 3.03Å; S677-Y680 PolarHBondContact OG-N 3.48Å; Y680-Q682 PolarHBondContact O-N 3.11Å; Y680-R683 PolarHBondContact O-N 2.94Å; Y680-V724 HydrophobicContact CD1-CG2 4.05Å; Y680-V724 HydrophobicContact CD2-CG1 4.22Å; Y680-V724 HydrophobicContact CE1-CG2 3.56Å; Y680-V724 HydrophobicContact CE2-CB 4.47Å; Y680-V724 HydrophobicContact CE2-CG1 4.19Å; Y680-V724 HydrophobicContact CE2-CG2 4.22Å; Y680-V724 HydrophobicContact CG-CG1 4.5Å; Y680-E742 PolarHBondContact OH-OE2 2.93Å; Y680-R814 WeakPolarHBondContact OH-CD 3.19Å; Y680-R814 PolarHBondContact OH-NE 3.47Å
681	F	96.5	Very high	92.9	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-61.3	-41.3	173.8	179.7	-99.7	0	0	0	113.1	I670 L673 S677 I678 R683 R684 F686 F701 L707	I670-F681 HydrophobicContact CB-CE2 4.31Å; I670-F681 HydrophobicContact CD1-CZ 4.29Å; I670-F681 HydrophobicContact CG1-CE2 3.82Å; I670-F681 HydrophobicContact CG1-CZ 3.78Å; I670-F681 HydrophobicContact CG2-CD2 4.21Å; I670-F681 HydrophobicContact CG2-CE2 4.16Å; I670-F681 HydrophobicContact CG2-CG 4.44Å; I670-F681 HydrophobicContact CG2-CZ 4.34Å; L673-F681 HydrophobicContact CB-CD2 4.06Å; L673-F681 HydrophobicContact CB-CE2 4.33Å; S677-F681 PolarHBondContact O-N 3.04Å; I678-F681 HydrophobicContact CD1-CB 4.38Å; I678-F681 HydrophobicContact CD1-CD1 4.07Å; I678-F681 PolarHBondContact O-N 3.24Å; F681-R683 PolarHBondContact O-N 3.46Å; F681-R684 WeakPolarHBondContact O-CB 3.32Å; F681-R684 PolarHBondContact O-N 2.83Å; F681-F686 HydrophobicContact CE2-CE2 4.07Å; F681-F686 AromaticContact CE2-CZ 3.82Å; F681-F686 HydrophobicContact CE2-CZ 3.82Å; F681-F686 HydrophobicContact CZ-CE2 4.23Å; F681-F686 HydrophobicContact CZ-CZ 4.22Å; F681-F701 WeakPolarHBondContact CD1-O 3.46Å; F681-F701 HydrophobicContact CE1-CB 4.1Å; F681-F701 VanDerWaalsContact CE1-O 3.26Å; F681-F701 WeakPolarHBondContact CE1-O 3.49Å; F681-F701 HydrophobicContact CZ-CB 4.48Å; F681-L707 HydrophobicContact CZ-CD2 4.34Å
682	Q	97.3	Very high	91.5	Very high	43 Å²	43	30.3 Å²	30.3	20%	0.201	19%	0.189	C	C	.	.	H	α-helix	trans	-58	-28.5	178.5	-87.1	162.1	19.2	0	0	114.4	I678 Y680 S700 N702 K728	I678-Q682 WeakPolarHBondContact O-CB 3.48Å; I678-Q682 WeakPolarHBondContact O-CG 3.45Å; I678-Q682 PolarHBondContact O-N 2.87Å; Y680-Q682 PolarHBondContact O-N 3.11Å; Q682-S700 WeakPolarHBondContact O-CB 3.38Å; Q682-N702 HydrophobicContact CG-CB 4.27Å; Q682-N702 PolarHBondContact NE2-O 2.99Å; Q682-K728 HydrophobicContact CB-CD 4.27Å; Q682-K728 HydrophobicContact CB-CG 4.45Å; Q682-K728 WeakPolarHBondContact O-CG 3.42Å
683	R	97	Very high	90.3	Very high	62 Å²	62	32.5 Å²	32.5	23%	0.234	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.8	3.7	180	-56.7	-173.7	-55.3	148.3	15.8	113.5	T679 Y680 F681 V724 F725 N726 P729 E741	T679-R683 PolarHBondContact O-N 3.34Å; Y680-R683 PolarHBondContact O-N 2.94Å; F681-R683 PolarHBondContact O-N 3.46Å; R683-V724 HydrophobicContact CB-CG1 3.81Å; R683-V724 WeakPolarHBondContact O-CA 3.22Å; R683-F725 VanDerWaalsContact CB-O 3.3Å; R683-F725 WeakPolarHBondContact CB-O 3.43Å; R683-F725 VanDerWaalsContact CD-O 3.28Å; R683-F725 WeakPolarHBondContact CD-O 3.49Å; R683-F725 PolarHBondContact NE-O 3.25Å; R683-F725 PolarHBondContact NH1-O 3.32Å; R683-F725 VanDerWaalsContact NH1-O 3.14Å; R683-F725 PolarHBondContact O-N 3.04Å; R683-N726 WeakPolarHBondContact CD-O 3.21Å; R683-N726 PolarHBondContact NH1-O 2.66Å; R683-P729 WeakPolarHBondContact O-CD 3.2Å; R683-E741 IonicContact CZ-OE2 2.92Å; R683-E741 IonicContact NH1-OE2 3.68Å; R683-E741 PolarHBondContact NH1-OE2 3.36Å; R683-E741 IonicContact NH2-OE2 3.2Å; R683-E741 PolarHBondContact NH2-OE2 3.42Å
684	R	97.8	Very high	89.3	Confident	0 Å²	0	37.4 Å²	37.4	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	129.1	176.7	-177.9	63.7	66.3	157.7	10.5	111.4	F681 F686 S700 G722 A723 V724 E744	F681-R684 WeakPolarHBondContact O-CB 3.32Å; F681-R684 PolarHBondContact O-N 2.83Å; R684-F686 HydrophobicContact CB-CE2 4Å; R684-F686 HydrophobicContact CG-CD2 4.08Å; R684-F686 HydrophobicContact CG-CE2 3.6Å; R684-F686 HydrophobicContact CG-CZ 4.04Å; R684-S700 VanDerWaalsContact O-CB 3.26Å; R684-S700 WeakPolarHBondContact O-CB 3.42Å; R684-G722 WeakPolarHBondContact CD-O 3.49Å; R684-G722 PolarHBondContact NH1-O 2.89Å; R684-A723 WeakPolarHBondContact CA-O 3.1Å; R684-V724 VanDerWaalsContact CZ-CG2 3.44Å; R684-E744 IonicContact CZ-OE1 3.23Å; R684-E744 IonicContact CZ-OE2 3.21Å; R684-E744 IonicContact NH1-OE1 2.78Å; R684-E744 PolarHBondContact NH1-OE1 2.95Å; R684-E744 IonicContact NH1-OE2 2.8Å; R684-E744 PolarHBondContact NH1-OE2 3.27Å; R684-E744 IonicContact NH2-OE1 3.37Å; R684-E744 PolarHBondContact NH2-OE1 2.74Å; R684-E744 IonicContact NH2-OE2 2.8Å
685	E	97.8	Very high	88.9	Confident	0 Å²	0	41.3 Å²	41.3	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	132.5	164.5	177.9	179.5	-159.5	0	0	110.5	R697 Y698 K699 G722 A723 F725 P729 L953	E685-R697 VanDerWaalsContact CD-NH2 3.31Å; E685-R697 IonicContact OE1-CZ 2.69Å; E685-R697 VanDerWaalsContact OE1-CZ 3.32Å; E685-R697 IonicContact OE1-NE 3.62Å; E685-R697 PolarHBondContact OE1-NE 3.47Å; E685-R697 IonicContact OE1-NH2 3.72Å; E685-R697 PolarHBondContact OE1-NH2 2.96Å; E685-R697 IonicContact OE2-NH2 3.68Å; E685-R697 PolarHBondContact OE2-NH2 3.27Å; E685-Y698 PolarHBondContact OE1-N 3.37Å; E685-K699 CarbonylContact C-O 3.55Å; E685-K699 WeakPolarHBondContact CA-O 3.45Å; E685-G722 PolarHBondContact O-N 2.78Å; E685-A723 PolarHBondContact N-O 3.44Å; E685-F725 HydrophobicContact CB-CD2 4.16Å; E685-F725 HydrophobicContact CB-CE2 3.63Å; E685-P729 HydrophobicContact CB-CB 4.45Å; E685-P729 HydrophobicContact CB-CG 4.02Å; E685-L953 HydrophobicContact CG-CD2 4.23Å
686	F	97.5	Very high	88.7	Confident	3 Å²	3	43 Å²	43	1%	0.013	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	149.9	158.2	-66	-97.7	0	0	0	108.6	L673 F681 R684 F688 K699 F701 I719 D720 I721	L673-F686 HydrophobicContact CD1-CE1 3.77Å; L673-F686 HydrophobicContact CD1-CZ 3.61Å; F681-F686 HydrophobicContact CE2-CE2 4.07Å; F681-F686 AromaticContact CE2-CZ 3.82Å; F681-F686 HydrophobicContact CE2-CZ 3.82Å; F681-F686 HydrophobicContact CZ-CE2 4.23Å; F681-F686 HydrophobicContact CZ-CZ 4.22Å; R684-F686 HydrophobicContact CB-CE2 4Å; R684-F686 HydrophobicContact CG-CD2 4.08Å; R684-F686 HydrophobicContact CG-CE2 3.6Å; R684-F686 HydrophobicContact CG-CZ 4.04Å; F686-F688 HydrophobicContact CB-CE1 4.43Å; F686-K699 HydrophobicContact CB-CB 4.26Å; F686-K699 PolarHBondContact N-O 3.35Å; F686-K699 WeakPolarHBondContact O-CB 3.47Å; F686-K699 PolarHBondContact O-N 2.92Å; F686-K699 VanDerWaalsContact O-N 3.09Å; F686-F701 HydrophobicContact CB-CE2 3.84Å; F686-F701 HydrophobicContact CB-CZ 4.47Å; F686-F701 HydrophobicContact CD1-CE2 4.36Å; F686-F701 AromaticContact CD2-CD2 3.65Å; F686-F701 HydrophobicContact CD2-CD2 3.65Å; F686-F701 AromaticContact CD2-CE2 3.49Å; F686-F701 HydrophobicContact CD2-CE2 3.49Å; F686-F701 VanDerWaalsContact CD2-CE2 3.49Å; F686-F701 AromaticContact CE2-CD2 3.84Å; F686-F701 HydrophobicContact CE2-CD2 3.84Å; F686-F701 HydrophobicContact CE2-CE2 4.09Å; F686-F701 HydrophobicContact CG-CD2 4.25Å; F686-F701 AromaticContact CG-CE2 3.64Å; F686-F701 HydrophobicContact CG-CE2 3.64Å; F686-I719 HydrophobicContact CD1-CG2 3.99Å; F686-D720 WeakPolarHBondContact CA-O 3.49Å; F686-I721 HydrophobicContact CD1-CG1 4.34Å; F686-I721 HydrophobicContact CE1-CG1 4.24Å
687	A	95.5	Very high	88.9	Confident	0 Å²	0	45 Å²	45	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	137.6	164.7	0	0	0	0	0	110.8	Y695 L696 R697 D720 L953	A687-Y695 HydrophobicContact CB-CD1 4.23Å; A687-Y695 HydrophobicContact CB-CE1 3.45Å; A687-Y695 VanDerWaalsContact CB-CE1 3.45Å; A687-L696 VanDerWaalsContact CA-O 3.23Å; A687-L696 WeakPolarHBondContact CA-O 3.27Å; A687-R697 HydrophobicContact CB-CG 4.34Å; A687-D720 HydrophobicContact CB-CB 4.35Å; A687-D720 PolarHBondContact N-O 2.77Å; A687-D720 PolarHBondContact O-N 3.37Å; A687-L953 HydrophobicContact CB-CD1 3.69Å; A687-L953 HydrophobicContact CB-CD2 4.07Å
688	F	94.8	Very high	89	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	123.1	178.2	-69.8	-7.3	0	0	0	109.3	F686 L690 L696 F701 E710 V711 N714 P716 I719	F686-F688 HydrophobicContact CB-CE1 4.43Å; F688-L690 HydrophobicContact CB-CD2 4.02Å; F688-L696 HydrophobicContact CB-CB 4.31Å; F688-L696 PolarHBondContact N-O 2.89Å; F688-L696 PolarHBondContact O-N 3.26Å; F688-F701 HydrophobicContact CE1-CE2 4.47Å; F688-F701 HydrophobicContact CE1-CZ 4.15Å; F688-F701 HydrophobicContact CE2-CZ 4.18Å; F688-F701 HydrophobicContact CZ-CE1 4.43Å; F688-F701 HydrophobicContact CZ-CE2 4.17Å; F688-F701 AromaticContact CZ-CZ 3.53Å; F688-F701 HydrophobicContact CZ-CZ 3.53Å; F688-E710 HydrophobicContact CE2-CB 4.19Å; F688-V711 HydrophobicContact CE1-CG2 4.02Å; F688-V711 HydrophobicContact CE2-CG2 4.29Å; F688-V711 HydrophobicContact CZ-CG2 3.51Å; F688-N714 HydrophobicContact CD2-CB 4.05Å; F688-N714 HydrophobicContact CE2-CB 4.46Å; F688-P716 HydrophobicContact CB-CB 3.97Å; F688-P716 HydrophobicContact CD1-CB 4.42Å; F688-P716 HydrophobicContact CD1-CG 4.31Å; F688-P716 HydrophobicContact CD2-CG 4.49Å; F688-P716 HydrophobicContact CG-CB 4.11Å; F688-P716 HydrophobicContact CG-CG 4.23Å; F688-I719 HydrophobicContact CD1-CG1 4.1Å; F688-I719 HydrophobicContact CD1-CG2 4.18Å; F688-I719 HydrophobicContact CE1-CD1 4.48Å; F688-I719 HydrophobicContact CE1-CG1 4.16Å; F688-I719 HydrophobicContact CE1-CG2 4.01Å
689	V	87.9	Confident	89.2	Confident	18 Å²	18	45.3 Å²	45.3	11%	0.109	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	121.7	167.8	-163	0	0	0	0	107.8	I694 Y695 P716 E717 K718	V689-I694 WeakPolarHBondContact CA-O 3.42Å; V689-Y695 HydrophobicContact CB-CD2 4.39Å; V689-Y695 HydrophobicContact CG1-CD2 4.28Å; V689-Y695 HydrophobicContact CG2-CD2 3.48Å; V689-Y695 VanDerWaalsContact CG2-CD2 3.48Å; V689-Y695 HydrophobicContact CG2-CE2 3.32Å; V689-Y695 HydrophobicContact CG2-CG 4.45Å; V689-P716 CarbonylContact O-C 3.59Å; V689-P716 WeakPolarHBondContact O-CA 3.39Å; V689-E717 PolarHBondContact O-N 2.87Å; V689-K718 HydrophobicContact CB-CB 3.91Å; V689-K718 HydrophobicContact CG2-CB 3.84Å; V689-K718 HydrophobicContact CG2-CD 3.83Å; V689-K718 HydrophobicContact CG2-CG 4.36Å; V689-K718 PolarHBondContact N-O 3.49Å; V689-K718 PolarHBondContact O-N 2.91Å
690	L	84.9	Confident	89.4	Confident	30 Å²	30	41.6 Å²	41.6	16%	0.157	22%	0.221	C	C	.	.			trans	-102.5	175.6	178.9	-44.1	-172.9	0	0	0	110.4	F688 G693 I694 L696 N714 P716	F688-L690 HydrophobicContact CB-CD2 4.02Å; L690-G693 PolarHBondContact O-N 3.21Å; L690-I694 HydrophobicContact CB-CB 4.31Å; L690-I694 PolarHBondContact N-O 3.38Å; L690-L696 HydrophobicContact CD1-CD1 3.79Å; L690-L696 HydrophobicContact CD1-CG 4.26Å; L690-L696 HydrophobicContact CG-CD1 4.32Å; L690-L696 HydrophobicContact CG-CG 4.46Å; L690-N714 HydrophobicContact CD2-CB 3.99Å; L690-P716 HydrophobicContact CD2-CB 4.07Å
691	N	69.4	Low	89.5	Confident	95 Å²	95	40.6 Å²	40.6	51%	0.508	22%	0.217	S	C	.	.	G	3₁₀ helix	trans	-51.5	143.9	171.2	-165.6	-2.7	0	0	0	111.3	Y653 G693 E717	Y653-N691 HydrophobicContact CD1-CB 4.33Å; Y653-N691 HydrophobicContact CE1-CB 3.66Å; Y653-N691 VanDerWaalsContact CZ-CG 3.41Å; Y653-N691 PolarHBondContact OH-OD1 3.4Å; Y653-N691 VanDerWaalsContact OH-OD1 3.13Å; N691-G693 PolarHBondContact O-N 2.93Å; N691-E717 VanDerWaalsContact CA-OE1 3.28Å; N691-E717 WeakPolarHBondContact CA-OE1 3.39Å
692	G	64.4	Low	89.4	Confident	71 Å²	71	42.9 Å²	42.9	73%	0.732	23%	0.229	S	C	*	.	G	3₁₀ helix	trans	76	2.9	-171.3	0	0	0	0	0	114.5	I694	G692-I694 VanDerWaalsContact C-N 3.34Å
693	G	70	Confident	89.2	Confident	47 Å²	47	44.3 Å²	44.3	49%	0.485	24%	0.238	S	C	.	.	G	3₁₀ helix	trans	80.9	10.2	-178.8	0	0	0	0	0	114.6	L690 N691 Y695	L690-G693 PolarHBondContact O-N 3.21Å; N691-G693 PolarHBondContact O-N 2.93Å; G693-Y695 PolarHBondContact O-N 3.4Å
694	I	76.3	Confident	89	Confident	102 Å²	102	44.8 Å²	44.8	52%	0.523	24%	0.243	S	C	.	.			trans	-60.6	122.2	-179.9	-59.5	170.8	0	0	0	109.7	V689 L690 G692 L696	V689-I694 WeakPolarHBondContact CA-O 3.42Å; L690-I694 HydrophobicContact CB-CB 4.31Å; L690-I694 PolarHBondContact N-O 3.38Å; G692-I694 VanDerWaalsContact C-N 3.34Å; I694-L696 HydrophobicContact CG2-CD2 4.16Å
695	Y	85.4	Confident	88.8	Confident	97 Å²	97	48 Å²	48	38%	0.38	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	100.8	-168.2	-154.4	-78.7	0	0	0	111.9	A687 V689 G693 R697 D720 L953	A687-Y695 HydrophobicContact CB-CD1 4.23Å; A687-Y695 HydrophobicContact CB-CE1 3.45Å; A687-Y695 VanDerWaalsContact CB-CE1 3.45Å; V689-Y695 HydrophobicContact CB-CD2 4.39Å; V689-Y695 HydrophobicContact CG1-CD2 4.28Å; V689-Y695 HydrophobicContact CG2-CD2 3.48Å; V689-Y695 VanDerWaalsContact CG2-CD2 3.48Å; V689-Y695 HydrophobicContact CG2-CE2 3.32Å; V689-Y695 HydrophobicContact CG2-CG 4.45Å; G693-Y695 PolarHBondContact O-N 3.4Å; Y695-R697 HydrophobicContact CD1-CG 3.56Å; Y695-R697 HydrophobicContact CE1-CG 3.64Å; Y695-R697 PolarHBondContact O-N 3.1Å; Y695-D720 PolarHBondContact OH-OD2 3.21Å; Y695-L953 HydrophobicContact CE1-CD1 3.8Å; Y695-L953 WeakPolarHBondContact OH-CD1 3.5Å
696	L	90.6	Very high	88.7	Confident	54 Å²	54	50.8 Å²	50.8	28%	0.283	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	95.3	-178.4	-57.5	-174.5	0	0	0	111.5	A687 F688 L690 I694	A687-L696 VanDerWaalsContact CA-O 3.23Å; A687-L696 WeakPolarHBondContact CA-O 3.27Å; F688-L696 HydrophobicContact CB-CB 4.31Å; F688-L696 PolarHBondContact N-O 2.89Å; F688-L696 PolarHBondContact O-N 3.26Å; L690-L696 HydrophobicContact CD1-CD1 3.79Å; L690-L696 HydrophobicContact CD1-CG 4.26Å; L690-L696 HydrophobicContact CG-CD1 4.32Å; L690-L696 HydrophobicContact CG-CG 4.46Å; I694-L696 HydrophobicContact CG2-CD2 4.16Å
697	R	92.5	Very high	88.7	Confident	90 Å²	90	50.8 Å²	50.8	34%	0.34	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	172.2	177.3	-68.7	-155.3	64.5	158.8	2.3	114.7	E685 A687 Y695 K699 L953	E685-R697 VanDerWaalsContact CD-NH2 3.31Å; E685-R697 IonicContact OE1-CZ 2.69Å; E685-R697 VanDerWaalsContact OE1-CZ 3.32Å; E685-R697 IonicContact OE1-NE 3.62Å; E685-R697 PolarHBondContact OE1-NE 3.47Å; E685-R697 IonicContact OE1-NH2 3.72Å; E685-R697 PolarHBondContact OE1-NH2 2.96Å; E685-R697 IonicContact OE2-NH2 3.68Å; E685-R697 PolarHBondContact OE2-NH2 3.27Å; A687-R697 HydrophobicContact CB-CG 4.34Å; Y695-R697 HydrophobicContact CD1-CG 3.56Å; Y695-R697 HydrophobicContact CE1-CG 3.64Å; Y695-R697 PolarHBondContact O-N 3.1Å; R697-K699 PolarHBondContact O-N 3.44Å; R697-K699 VanDerWaalsContact O-N 3.1Å; R697-L953 HydrophobicContact CG-CD1 4.41Å
698	Y	93.9	Very high	88.6	Confident	81 Å²	81	53.3 Å²	53.3	32%	0.318	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	55.7	27.8	171.5	-53.7	-74.1	0	0	0	114.2	E685 F725 P729 S730 R733 L738	E685-Y698 PolarHBondContact OE1-N 3.37Å; Y698-F725 HydrophobicContact CE1-CZ 4.27Å; Y698-P729 HydrophobicContact CD1-CB 4.26Å; Y698-P729 CarbonylContact O-C 3.57Å; Y698-S730 VanDerWaalsContact O-CA 3.27Å; Y698-S730 WeakPolarHBondContact O-CA 3.48Å; Y698-S730 PolarHBondContact O-N 2.94Å; Y698-S730 VanDerWaalsContact O-N 3.09Å; Y698-R733 HydrophobicContact CG-CB 4.41Å; Y698-L738 HydrophobicContact CD1-CD2 4.07Å; Y698-L738 HydrophobicContact CE1-CD2 4.1Å
699	K	95.4	Very high	88.6	Confident	52 Å²	52	60.3 Å²	60.3	23%	0.226	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	143.7	167.1	-68	-79.4	-167.9	165.5	0	108.7	E685 F686 R697 F701 E710	E685-K699 CarbonylContact C-O 3.55Å; E685-K699 WeakPolarHBondContact CA-O 3.45Å; F686-K699 HydrophobicContact CB-CB 4.26Å; F686-K699 PolarHBondContact N-O 3.35Å; F686-K699 WeakPolarHBondContact O-CB 3.47Å; F686-K699 PolarHBondContact O-N 2.92Å; F686-K699 VanDerWaalsContact O-N 3.09Å; R697-K699 PolarHBondContact O-N 3.44Å; R697-K699 VanDerWaalsContact O-N 3.1Å; K699-F701 HydrophobicContact CB-CE1 4.31Å; K699-F701 HydrophobicContact CB-CE2 4.41Å; K699-F701 HydrophobicContact CB-CZ 3.77Å; K699-E710 IonicContact NZ-OE2 2.74Å; K699-E710 PolarHBondContact NZ-OE2 3.32Å
700	S	96.8	Very high	88.9	Confident	5 Å²	5	61.5 Å²	61.5	4%	0.035	33%	0.329	C	S	.	.			trans	-155	147.5	174.3	51.7	0	0	0	0	108.9	Q682 R684 S730	Q682-S700 WeakPolarHBondContact O-CB 3.38Å; R684-S700 VanDerWaalsContact O-CB 3.26Å; R684-S700 WeakPolarHBondContact O-CB 3.42Å; S700-S730 WeakPolarHBondContact OG-CB 3.42Å; S700-S730 PolarHBondContact OG-N 3.48Å; S700-S730 VanDerWaalsContact OG-N 3.09Å; S700-S730 PolarHBondContact OG-OG 3.36Å
701	F	96.9	Very high	89.3	Confident	3 Å²	3	60 Å²	60	1%	0.013	32%	0.322	C	S	.	.			trans	-130.9	142.1	-167	-47	-71.1	0	0	0	111.3	F681 F686 F688 K699 E706 L707 E710	F681-F701 WeakPolarHBondContact CD1-O 3.46Å; F681-F701 HydrophobicContact CE1-CB 4.1Å; F681-F701 VanDerWaalsContact CE1-O 3.26Å; F681-F701 WeakPolarHBondContact CE1-O 3.49Å; F681-F701 HydrophobicContact CZ-CB 4.48Å; F686-F701 HydrophobicContact CB-CE2 3.84Å; F686-F701 HydrophobicContact CB-CZ 4.47Å; F686-F701 HydrophobicContact CD1-CE2 4.36Å; F686-F701 AromaticContact CD2-CD2 3.65Å; F686-F701 HydrophobicContact CD2-CD2 3.65Å; F686-F701 AromaticContact CD2-CE2 3.49Å; F686-F701 HydrophobicContact CD2-CE2 3.49Å; F686-F701 VanDerWaalsContact CD2-CE2 3.49Å; F686-F701 AromaticContact CE2-CD2 3.84Å; F686-F701 HydrophobicContact CE2-CD2 3.84Å; F686-F701 HydrophobicContact CE2-CE2 4.09Å; F686-F701 HydrophobicContact CG-CD2 4.25Å; F686-F701 AromaticContact CG-CE2 3.64Å; F686-F701 HydrophobicContact CG-CE2 3.64Å; F688-F701 HydrophobicContact CE1-CE2 4.47Å; F688-F701 HydrophobicContact CE1-CZ 4.15Å; F688-F701 HydrophobicContact CE2-CZ 4.18Å; F688-F701 HydrophobicContact CZ-CE1 4.43Å; F688-F701 HydrophobicContact CZ-CE2 4.17Å; F688-F701 AromaticContact CZ-CZ 3.53Å; F688-F701 HydrophobicContact CZ-CZ 3.53Å; K699-F701 HydrophobicContact CB-CE1 4.31Å; K699-F701 HydrophobicContact CB-CE2 4.41Å; K699-F701 HydrophobicContact CB-CZ 3.77Å; F701-E706 HydrophobicContact CB-CB 4.38Å; F701-E706 HydrophobicContact CB-CG 4.39Å; F701-E706 HydrophobicContact CD1-CG 4.21Å; F701-L707 HydrophobicContact CB-CB 4.18Å; F701-L707 HydrophobicContact CD2-CB 4.04Å; F701-L707 HydrophobicContact CD2-CD1 3.48Å; F701-L707 VanDerWaalsContact CD2-CD1 3.48Å; F701-L707 HydrophobicContact CD2-CG 4.3Å; F701-L707 HydrophobicContact CE2-CD1 3.34Å; F701-L707 HydrophobicContact CG-CB 4.02Å; F701-L707 HydrophobicContact CG-CD1 4.21Å; F701-L707 HydrophobicContact CZ-CD1 3.99Å; F701-E710 HydrophobicContact CD1-CB 4.27Å; F701-E710 HydrophobicContact CD1-CG 4.18Å; F701-E710 HydrophobicContact CE1-CB 3.59Å; F701-E710 HydrophobicContact CE1-CG 3.73Å; F701-E710 HydrophobicContact CZ-CB 4.28Å
702	N	95.1	Very high	90.3	Very high	48 Å²	48	61.1 Å²	61.1	26%	0.257	32%	0.319	S	S	.	.	S	Bend	trans	-81	-24.1	-175.9	-58	-81.5	0	0	0	113.7	I678 Q682 E706 K728	I678-N702 WeakPolarHBondContact CG1-O 3.31Å; Q682-N702 HydrophobicContact CG-CB 4.27Å; Q682-N702 PolarHBondContact NE2-O 2.99Å; N702-E706 WeakPolarHBondContact CA-OE2 3.47Å; N702-E706 WeakPolarHBondContact CB-OE2 3.34Å; N702-E706 PolarHBondContact N-OE2 2.86Å; N702-E706 PolarHBondContact ND2-OE1 3.4Å; N702-E706 PolarHBondContact ND2-OE2 3.29Å; N702-K728 WeakPolarHBondContact OD1-CE 3.35Å; N702-K728 PolarHBondContact OD1-NZ 3.04Å
703	N	92.6	Very high	91.5	Very high	72 Å²	72	62 Å²	62	39%	0.385	31%	0.314	S	S	.	.	S	Bend	trans	-164.7	-179.8	-177.3	60.3	68.4	0	0	0	112	A705 E706 L707	N703-A705 PolarHBondContact O-N 3.35Å; N703-A705 WeakPolarHBondContact OD1-CB 3.36Å; N703-A705 PolarHBondContact OD1-N 2.78Å; N703-E706 PolarHBondContact O-N 3.09Å; N703-E706 PolarHBondContact OD1-N 2.9Å; N703-E706 VanDerWaalsContact OD1-N 3.13Å; N703-L707 PolarHBondContact O-N 3.23Å
704	Q	93.6	Very high	92.4	Very high	73 Å²	73	62 Å²	62	34%	0.341	30%	0.302	S	S	.	.	H	α-helix	trans	-60.5	-41.9	179.6	-176.9	174.3	-32.5	0	0	114.2	I670 E706 L707 E708	I670-Q704 HydrophobicContact CD1-CB 3.39Å; I670-Q704 HydrophobicContact CD1-CG 3.62Å; Q704-E706 VanDerWaalsContact C-N 3.28Å; Q704-E706 PolarHBondContact O-N 3.43Å; Q704-L707 PolarHBondContact O-N 2.85Å; Q704-E708 HydrophobicContact CG-CG 4.26Å; Q704-E708 WeakPolarHBondContact CG-OE1 3.29Å; Q704-E708 PolarHBondContact NE2-OE1 2.83Å; Q704-E708 WeakPolarHBondContact O-CB 3.26Å; Q704-E708 WeakPolarHBondContact O-CG 3.37Å; Q704-E708 PolarHBondContact O-N 3.19Å
705	A	94.3	Very high	93	Very high	67 Å²	67	58.7 Å²	58.7	55%	0.554	29%	0.287	S	S	*	.	H	α-helix	trans	-66.8	-32.8	-176.9	0	0	0	0	0	111.9	N703 K709	N703-A705 PolarHBondContact O-N 3.35Å; N703-A705 WeakPolarHBondContact OD1-CB 3.36Å; N703-A705 PolarHBondContact OD1-N 2.78Å; A705-K709 VanDerWaalsContact O-CB 3.24Å; A705-K709 WeakPolarHBondContact O-CB 3.18Å; A705-K709 PolarHBondContact O-N 3.07Å
706	E	96	Very high	93.2	Very high	58 Å²	58	54 Å²	54	27%	0.271	27%	0.269	S	S	.	.	H	α-helix	trans	-71.4	-46.4	175.5	-167.4	-179.1	167.3	0	0	112.2	F701 N702 N703 Q704 E708 K709 E710	F701-E706 HydrophobicContact CB-CB 4.38Å; F701-E706 HydrophobicContact CB-CG 4.39Å; F701-E706 HydrophobicContact CD1-CG 4.21Å; N702-E706 WeakPolarHBondContact CA-OE2 3.47Å; N702-E706 WeakPolarHBondContact CB-OE2 3.34Å; N702-E706 PolarHBondContact N-OE2 2.86Å; N702-E706 PolarHBondContact ND2-OE1 3.4Å; N702-E706 PolarHBondContact ND2-OE2 3.29Å; N703-E706 PolarHBondContact O-N 3.09Å; N703-E706 PolarHBondContact OD1-N 2.9Å; N703-E706 VanDerWaalsContact OD1-N 3.13Å; Q704-E706 VanDerWaalsContact C-N 3.28Å; Q704-E706 PolarHBondContact O-N 3.43Å; E706-E708 PolarHBondContact O-N 3.25Å; E706-K709 PolarHBondContact O-N 2.72Å; E706-E710 WeakPolarHBondContact O-CB 3.35Å; E706-E710 PolarHBondContact O-N 2.78Å
707	L	95.6	Very high	92.9	Very high	4 Å²	4	52.8 Å²	52.8	2%	0.021	26%	0.261	C	S	.	.	H	α-helix	trans	-59.1	-47	173.3	174.3	66.3	0	0	0	111.1	Y666 I670 F681 F701 N703 Q704 K709 E710 V711	Y666-L707 HydrophobicContact CD1-CD2 3.99Å; Y666-L707 HydrophobicContact CD1-CG 4.08Å; Y666-L707 HydrophobicContact CE1-CG 4.3Å; I670-L707 HydrophobicContact CD1-CD2 4Å; I670-L707 HydrophobicContact CG1-CD2 3.99Å; F681-L707 HydrophobicContact CZ-CD2 4.34Å; F701-L707 HydrophobicContact CB-CB 4.18Å; F701-L707 HydrophobicContact CD2-CB 4.04Å; F701-L707 HydrophobicContact CD2-CD1 3.48Å; F701-L707 VanDerWaalsContact CD2-CD1 3.48Å; F701-L707 HydrophobicContact CD2-CG 4.3Å; F701-L707 HydrophobicContact CE2-CD1 3.34Å; F701-L707 HydrophobicContact CG-CB 4.02Å; F701-L707 HydrophobicContact CG-CD1 4.21Å; F701-L707 HydrophobicContact CZ-CD1 3.99Å; N703-L707 PolarHBondContact O-N 3.23Å; Q704-L707 PolarHBondContact O-N 2.85Å; L707-K709 VanDerWaalsContact C-N 3.34Å; L707-K709 PolarHBondContact O-N 2.7Å; L707-E710 PolarHBondContact O-N 2.74Å; L707-V711 HydrophobicContact CD1-CG2 3.65Å; L707-V711 HydrophobicContact CG-CG2 4.23Å; L707-V711 WeakPolarHBondContact O-CB 3.47Å; L707-V711 VanDerWaalsContact O-CG2 3.29Å; L707-V711 WeakPolarHBondContact O-CG2 3.38Å; L707-V711 PolarHBondContact O-N 3.4Å
708	E	94.7	Very high	92.8	Very high	53 Å²	53	51.3 Å²	51.3	25%	0.248	26%	0.257	C	S	.	.	H	α-helix	trans	-59.4	-42.9	176.9	-80.7	-173.9	-154.7	0	0	112.2	Y666 Q704 E706 R712	Y666-E708 HydrophobicContact CD1-CG 3.59Å; Y666-E708 HydrophobicContact CD2-CG 3.58Å; Y666-E708 HydrophobicContact CE1-CB 4.36Å; Y666-E708 HydrophobicContact CE1-CG 3.73Å; Y666-E708 HydrophobicContact CE2-CG 3.73Å; Y666-E708 HydrophobicContact CG-CG 3.5Å; Q704-E708 HydrophobicContact CG-CG 4.26Å; Q704-E708 WeakPolarHBondContact CG-OE1 3.29Å; Q704-E708 PolarHBondContact NE2-OE1 2.83Å; Q704-E708 WeakPolarHBondContact O-CB 3.26Å; Q704-E708 WeakPolarHBondContact O-CG 3.37Å; Q704-E708 PolarHBondContact O-N 3.19Å; E706-E708 PolarHBondContact O-N 3.25Å; E708-R712 WeakPolarHBondContact O-CB 3.34Å; E708-R712 WeakPolarHBondContact O-CD 3.46Å; E708-R712 WeakPolarHBondContact O-CG 3.21Å; E708-R712 PolarHBondContact O-N 2.92Å
709	K	94.5	Very high	92.8	Very high	146 Å²	146	47.9 Å²	47.9	64%	0.635	24%	0.244	S	C	*	.	H	α-helix	trans	-62.9	-50	177.3	-178.4	-169.8	173.3	-164	0	110.9	A705 E706 L707 R712 S713	A705-K709 VanDerWaalsContact O-CB 3.24Å; A705-K709 WeakPolarHBondContact O-CB 3.18Å; A705-K709 PolarHBondContact O-N 3.07Å; E706-K709 PolarHBondContact O-N 2.72Å; L707-K709 VanDerWaalsContact C-N 3.34Å; L707-K709 PolarHBondContact O-N 2.7Å; K709-R712 PolarHBondContact O-N 3.11Å; K709-S713 WeakPolarHBondContact O-CB 3.42Å; K709-S713 PolarHBondContact O-N 3.21Å
710	E	94.3	Very high	92.9	Very high	43 Å²	43	45.4 Å²	45.4	20%	0.201	23%	0.234	C	C	.	.	H	α-helix	trans	-67.4	-44.9	-176.8	-78.1	-73.4	122.2	0	0	112	F688 K699 F701 E706 L707 R712 S713 N714	F688-E710 HydrophobicContact CE2-CB 4.19Å; K699-E710 IonicContact NZ-OE2 2.74Å; K699-E710 PolarHBondContact NZ-OE2 3.32Å; F701-E710 HydrophobicContact CD1-CB 4.27Å; F701-E710 HydrophobicContact CD1-CG 4.18Å; F701-E710 HydrophobicContact CE1-CB 3.59Å; F701-E710 HydrophobicContact CE1-CG 3.73Å; F701-E710 HydrophobicContact CZ-CB 4.28Å; E706-E710 WeakPolarHBondContact O-CB 3.35Å; E706-E710 PolarHBondContact O-N 2.78Å; L707-E710 PolarHBondContact O-N 2.74Å; E710-R712 PolarHBondContact O-N 3.15Å; E710-S713 PolarHBondContact O-N 3.21Å; E710-N714 PolarHBondContact O-N 3.4Å; E710-N714 PolarHBondContact O-ND2 2.84Å; E710-N714 PolarHBondContact OE2-ND2 2.81Å
711	V	93.7	Very high	92.9	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-61.5	-44.2	175.5	172.3	0	0	0	0	110.9	Y660 Y666 F688 L707 S713 V715 P716 I719	Y660-V711 HydrophobicContact CD1-CG1 3.33Å; Y660-V711 HydrophobicContact CD2-CG1 3.9Å; Y660-V711 HydrophobicContact CE1-CG1 3.69Å; Y660-V711 HydrophobicContact CE2-CG1 4.2Å; Y660-V711 HydrophobicContact CG-CG1 3.46Å; Y660-V711 VanDerWaalsContact CG-CG1 3.46Å; Y666-V711 HydrophobicContact CE1-CB 4.2Å; Y666-V711 HydrophobicContact CE1-CG1 4.34Å; Y666-V711 HydrophobicContact CE1-CG2 4.32Å; Y666-V711 WeakPolarHBondContact OH-CG1 3.38Å; F688-V711 HydrophobicContact CE1-CG2 4.02Å; F688-V711 HydrophobicContact CE2-CG2 4.29Å; F688-V711 HydrophobicContact CZ-CG2 3.51Å; L707-V711 HydrophobicContact CD1-CG2 3.65Å; L707-V711 HydrophobicContact CG-CG2 4.23Å; L707-V711 WeakPolarHBondContact O-CB 3.47Å; L707-V711 VanDerWaalsContact O-CG2 3.29Å; L707-V711 WeakPolarHBondContact O-CG2 3.38Å; L707-V711 PolarHBondContact O-N 3.4Å; V711-S713 VanDerWaalsContact C-N 3.31Å; V711-S713 PolarHBondContact O-N 2.99Å; V711-V715 WeakPolarHBondContact O-CA 3.46Å; V711-V715 PolarHBondContact O-N 2.93Å; V711-P716 HydrophobicContact CG1-CG 4.29Å; V711-P716 VanDerWaalsContact O-CD 3.32Å; V711-P716 WeakPolarHBondContact O-CD 3.42Å; V711-I719 HydrophobicContact CG1-CD1 4.11Å; V711-I719 HydrophobicContact CG2-CD1 3.96Å
712	R	90.4	Very high	92.9	Very high	118 Å²	118	45.2 Å²	45.2	45%	0.445	23%	0.232	S	C	.	.	H	α-helix	trans	-73.3	-20.3	179.1	-69.4	173	55.6	-152	-14.1	114.1	E708 K709 E710	E708-R712 WeakPolarHBondContact O-CB 3.34Å; E708-R712 WeakPolarHBondContact O-CD 3.46Å; E708-R712 WeakPolarHBondContact O-CG 3.21Å; E708-R712 PolarHBondContact O-N 2.92Å; K709-R712 PolarHBondContact O-N 3.11Å; E710-R712 PolarHBondContact O-N 3.15Å
713	S	89.6	Confident	93	Very high	90 Å²	90	43 Å²	43	63%	0.629	22%	0.22	S	C	*	.	H	α-helix	trans	-87.3	-35.3	177.3	-168	0	0	0	0	112.8	K709 E710 V711	K709-S713 WeakPolarHBondContact O-CB 3.42Å; K709-S713 PolarHBondContact O-N 3.21Å; E710-S713 PolarHBondContact O-N 3.21Å; V711-S713 VanDerWaalsContact C-N 3.31Å; V711-S713 PolarHBondContact O-N 2.99Å
714	N	87.9	Confident	93.3	Very high	45 Å²	45	39.5 Å²	39.5	24%	0.241	20%	0.202	C	C	.	.	H	α-helix	trans	-93.4	-23.4	-179	-64.8	-92.5	0	0	0	112.4	F688 L690 E710	F688-N714 HydrophobicContact CD2-CB 4.05Å; F688-N714 HydrophobicContact CE2-CB 4.46Å; L690-N714 HydrophobicContact CD2-CB 3.99Å; E710-N714 PolarHBondContact O-N 3.4Å; E710-N714 PolarHBondContact O-ND2 2.84Å; E710-N714 PolarHBondContact OE2-ND2 2.81Å
715	V	88.7	Confident	93.4	Very high	33 Å²	33	36.5 Å²	36.5	20%	0.2	19%	0.188	C	C	.	.			trans	49.9	59.7	-179.9	-165.4	0	0	0	0	112	L656 P657 V711	L656-V715 HydrophobicContact CB-CG1 3.49Å; L656-V715 VanDerWaalsContact CB-CG1 3.49Å; L656-V715 HydrophobicContact CD1-CG1 4.31Å; P657-V715 HydrophobicContact CG-CG1 3.79Å; P657-V715 HydrophobicContact CG-CG2 4.13Å; V711-V715 WeakPolarHBondContact O-CA 3.46Å; V711-V715 PolarHBondContact O-N 2.93Å
716	P	90.4	Very high	93.4	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	17%	0.168	C	C	.	.			trans	-64.3	143.8	-175.9	27.3	-34.4	0	0	0	112.3	Y660 F688 V689 L690 V711 K718 I719	Y660-P716 HydrophobicContact CE2-CG 4.14Å; Y660-P716 VanDerWaalsContact CE2-O 3.26Å; Y660-P716 WeakPolarHBondContact CE2-O 3.4Å; Y660-P716 PolarHBondContact OH-O 3.23Å; F688-P716 HydrophobicContact CB-CB 3.97Å; F688-P716 HydrophobicContact CD1-CB 4.42Å; F688-P716 HydrophobicContact CD1-CG 4.31Å; F688-P716 HydrophobicContact CD2-CG 4.49Å; F688-P716 HydrophobicContact CG-CB 4.11Å; F688-P716 HydrophobicContact CG-CG 4.23Å; V689-P716 CarbonylContact O-C 3.59Å; V689-P716 WeakPolarHBondContact O-CA 3.39Å; L690-P716 HydrophobicContact CD2-CB 4.07Å; V711-P716 HydrophobicContact CG1-CG 4.29Å; V711-P716 VanDerWaalsContact O-CD 3.32Å; V711-P716 WeakPolarHBondContact O-CD 3.42Å; P716-K718 VanDerWaalsContact C-N 3.33Å; P716-I719 HydrophobicContact CB-CG1 4.15Å; P716-I719 HydrophobicContact CG-CD1 3.95Å; P716-I719 HydrophobicContact CG-CG1 3.6Å
717	E	83.7	Confident	93.3	Very high	27 Å²	27	33.9 Å²	33.9	13%	0.126	17%	0.165	C	C	.	.	S	Bend	trans	-68.5	-37.4	165.6	-67.3	-179.2	-147.5	0	0	111.3	L652 Y653 V689 N691	L652-E717 HydrophobicContact CD2-CG 4.24Å; Y653-E717 HydrophobicContact CE1-CG 3.85Å; Y653-E717 PolarHBondContact OH-OE1 3.38Å; V689-E717 PolarHBondContact O-N 2.87Å; N691-E717 VanDerWaalsContact CA-OE1 3.28Å; N691-E717 WeakPolarHBondContact CA-OE1 3.39Å
718	K	89.9	Confident	93.3	Very high	60 Å²	60	35.8 Å²	35.8	26%	0.261	17%	0.173	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	132.1	-172.2	-167.5	-161.2	-172.8	-145.7	0	109	V689 P716 D720 K955	V689-K718 HydrophobicContact CB-CB 3.91Å; V689-K718 HydrophobicContact CG2-CB 3.84Å; V689-K718 HydrophobicContact CG2-CD 3.83Å; V689-K718 HydrophobicContact CG2-CG 4.36Å; V689-K718 PolarHBondContact N-O 3.49Å; V689-K718 PolarHBondContact O-N 2.91Å; P716-K718 VanDerWaalsContact C-N 3.33Å; K718-D720 WeakPolarHBondContact CD-OD1 3.4Å; K718-D720 WeakPolarHBondContact CE-OD1 3.32Å; K718-D720 WeakPolarHBondContact CE-OD2 3.34Å; K718-D720 IonicContact NZ-OD1 2.79Å; K718-D720 PolarHBondContact NZ-OD1 3.34Å; K718-D720 IonicContact NZ-OD2 2.69Å; K718-D720 PolarHBondContact NZ-OD2 3.2Å; K718-K955 HydrophobicContact CG-CB 4.49Å; K718-K955 HydrophobicContact CG-CD 4.35Å; K718-K955 HydrophobicContact CG-CG 3.86Å
719	I	95	Very high	93.3	Very high	8 Å²	8	33.2 Å²	33.2	4%	0.041	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	109.4	171.5	-57.8	171.9	0	0	0	106.9	Y660 F664 F686 F688 V711 P716 G956 C959	Y660-I719 HydrophobicContact CE1-CD1 3.88Å; F664-I719 HydrophobicContact CZ-CD1 4.41Å; F686-I719 HydrophobicContact CD1-CG2 3.99Å; F688-I719 HydrophobicContact CD1-CG1 4.1Å; F688-I719 HydrophobicContact CD1-CG2 4.18Å; F688-I719 HydrophobicContact CE1-CD1 4.48Å; F688-I719 HydrophobicContact CE1-CG1 4.16Å; F688-I719 HydrophobicContact CE1-CG2 4.01Å; V711-I719 HydrophobicContact CG1-CD1 4.11Å; V711-I719 HydrophobicContact CG2-CD1 3.96Å; P716-I719 HydrophobicContact CB-CG1 4.15Å; P716-I719 HydrophobicContact CG-CD1 3.95Å; P716-I719 HydrophobicContact CG-CG1 3.6Å; I719-G956 PolarHBondContact O-N 3.17Å; I719-C959 PolarHBondContact N-SG 2.69Å; I719-C959 VanDerWaalsContact N-SG 3.38Å; I719-C959 PolarHBondContact O-SG 3.37Å
720	D	96.3	Very high	93.2	Very high	1 Å²	1	29 Å²	29	1%	0.005	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	140.6	172.1	-68.9	-34.6	0	0	0	110	F686 A687 Y695 K718 L953 L954 K955	F686-D720 WeakPolarHBondContact CA-O 3.49Å; A687-D720 HydrophobicContact CB-CB 4.35Å; A687-D720 PolarHBondContact N-O 2.77Å; A687-D720 PolarHBondContact O-N 3.37Å; Y695-D720 PolarHBondContact OH-OD2 3.21Å; K718-D720 WeakPolarHBondContact CD-OD1 3.4Å; K718-D720 WeakPolarHBondContact CE-OD1 3.32Å; K718-D720 WeakPolarHBondContact CE-OD2 3.34Å; K718-D720 IonicContact NZ-OD1 2.79Å; K718-D720 PolarHBondContact NZ-OD1 3.34Å; K718-D720 IonicContact NZ-OD2 2.69Å; K718-D720 PolarHBondContact NZ-OD2 3.2Å; D720-L953 HydrophobicContact CB-CB 4.02Å; D720-L953 HydrophobicContact CB-CD2 4.11Å; D720-L954 WeakPolarHBondContact CA-O 3.43Å; D720-K955 WeakPolarHBondContact OD1-CA 3.47Å; D720-K955 PolarHBondContact OD1-N 3Å; D720-K955 VanDerWaalsContact OD1-N 3.1Å
721	I	97.8	Very high	93	Very high	4 Å²	4	32.1 Å²	32.1	2%	0.021	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	129.3	-179.8	-57.4	168.7	0	0	0	107.9	W672 L673 F686 W807 L954	W672-I721 HydrophobicContact CH2-CD1 4.2Å; W672-I721 HydrophobicContact CZ3-CD1 3.74Å; L673-I721 HydrophobicContact CD1-CD1 4Å; L673-I721 HydrophobicContact CD1-CG1 4.49Å; L673-I721 HydrophobicContact CD1-CG2 4.34Å; L673-I721 HydrophobicContact CD2-CD1 4.31Å; L673-I721 HydrophobicContact CD2-CG2 3.93Å; F686-I721 HydrophobicContact CD1-CG1 4.34Å; F686-I721 HydrophobicContact CE1-CG1 4.24Å; I721-W807 HydrophobicContact CB-CH2 3.92Å; I721-W807 HydrophobicContact CB-CZ3 4.26Å; I721-W807 HydrophobicContact CD1-CH2 4.46Å; I721-W807 HydrophobicContact CG2-CH2 4.5Å; I721-W807 HydrophobicContact CG2-CZ3 4.35Å; I721-L954 PolarHBondContact N-O 3.36Å; I721-L954 PolarHBondContact O-N 3.47Å
722	G	97	Very high	92.4	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	-159.6	-176.8	0	0	0	0	0	113.4	R684 E685	R684-G722 WeakPolarHBondContact CD-O 3.49Å; R684-G722 PolarHBondContact NH1-O 2.89Å; E685-G722 PolarHBondContact O-N 2.78Å
723	A	97.6	Very high	91.8	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	161.3	179.1	0	0	0	0	0	113.3	R684 E685 F725 A740 E742 K743 V950	R684-A723 WeakPolarHBondContact CA-O 3.1Å; E685-A723 PolarHBondContact N-O 3.44Å; A723-F725 HydrophobicContact CB-CD2 4.14Å; A723-F725 HydrophobicContact CB-CE2 3.77Å; A723-F725 HydrophobicContact CB-CZ 4.39Å; A723-F725 WeakPolarHBondContact O-CD2 3.48Å; A723-A740 HydrophobicContact CB-CB 3.51Å; A723-E742 CarbonylContact C-O 3.59Å; A723-E742 WeakPolarHBondContact CA-O 3.19Å; A723-K743 HydrophobicContact CB-CB 4.22Å; A723-V950 WeakPolarHBondContact CB-O 3.49Å
724	V	97.7	Very high	91.4	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	125.6	155.5	-176.7	0	0	0	0	108	Y680 R683 R684 E741 E742	Y680-V724 HydrophobicContact CD1-CG2 4.05Å; Y680-V724 HydrophobicContact CD2-CG1 4.22Å; Y680-V724 HydrophobicContact CE1-CG2 3.56Å; Y680-V724 HydrophobicContact CE2-CB 4.47Å; Y680-V724 HydrophobicContact CE2-CG1 4.19Å; Y680-V724 HydrophobicContact CE2-CG2 4.22Å; Y680-V724 HydrophobicContact CG-CG1 4.5Å; R683-V724 HydrophobicContact CB-CG1 3.81Å; R683-V724 WeakPolarHBondContact O-CA 3.22Å; R684-V724 VanDerWaalsContact CZ-CG2 3.44Å; V724-E741 PolarHBondContact O-N 2.79Å; V724-E742 HydrophobicContact CB-CB 4.4Å; V724-E742 PolarHBondContact N-O 2.92Å; V724-E742 PolarHBondContact O-N 2.95Å
725	F	96.7	Very high	91.3	Very high	10 Å²	10	40.7 Å²	40.7	4%	0.044	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	168.5	-177.9	-75.3	-104.2	0	0	0	111.8	R683 E685 Y698 A723 M727 P729 L738 R739 A740	R683-F725 VanDerWaalsContact CB-O 3.3Å; R683-F725 WeakPolarHBondContact CB-O 3.43Å; R683-F725 VanDerWaalsContact CD-O 3.28Å; R683-F725 WeakPolarHBondContact CD-O 3.49Å; R683-F725 PolarHBondContact NE-O 3.25Å; R683-F725 PolarHBondContact NH1-O 3.32Å; R683-F725 VanDerWaalsContact NH1-O 3.14Å; R683-F725 PolarHBondContact O-N 3.04Å; E685-F725 HydrophobicContact CB-CD2 4.16Å; E685-F725 HydrophobicContact CB-CE2 3.63Å; Y698-F725 HydrophobicContact CE1-CZ 4.27Å; A723-F725 HydrophobicContact CB-CD2 4.14Å; A723-F725 HydrophobicContact CB-CE2 3.77Å; A723-F725 HydrophobicContact CB-CZ 4.39Å; A723-F725 WeakPolarHBondContact O-CD2 3.48Å; F725-M727 VanDerWaalsContact C-N 3.25Å; F725-M727 VanDerWaalsContact CB-O 3.28Å; F725-M727 WeakPolarHBondContact CB-O 3.26Å; F725-M727 PolarHBondContact O-N 3.27Å; F725-P729 HydrophobicContact CB-CG 4.29Å; F725-P729 HydrophobicContact CD2-CG 3.7Å; F725-P729 HydrophobicContact CE2-CG 4.31Å; F725-P729 HydrophobicContact CG-CG 4.11Å; F725-L738 HydrophobicContact CB-CD1 3.87Å; F725-L738 HydrophobicContact CD1-CD1 3.44Å; F725-L738 VanDerWaalsContact CD1-CD1 3.44Å; F725-L738 HydrophobicContact CD1-CD2 4.28Å; F725-L738 HydrophobicContact CD1-CG 3.58Å; F725-L738 HydrophobicContact CE1-CD1 4.24Å; F725-L738 HydrophobicContact CE1-CD2 4.28Å; F725-L738 HydrophobicContact CE1-CG 3.93Å; F725-L738 HydrophobicContact CG-CD1 3.91Å; F725-L738 HydrophobicContact CG-CG 4.49Å; F725-R739 CarbonylContact C-O 3.59Å; F725-R739 VanDerWaalsContact CA-O 3.22Å; F725-R739 WeakPolarHBondContact CA-O 3.5Å; F725-R739 WeakPolarHBondContact CD1-O 3.24Å; F725-A740 HydrophobicContact CD1-CB 4.47Å; F725-A740 HydrophobicContact CE1-CB 4.22Å; F725-A740 HydrophobicContact CZ-CB 4.31Å
726	N	94.5	Very high	90.9	Very high	27 Å²	27	44.7 Å²	44.7	14%	0.144	23%	0.23	C	C	.	.	S	Bend	trans	-62.4	-31.7	173.7	63.5	-32.3	0	0	0	113.2	R683 D737 R739 E741	R683-N726 WeakPolarHBondContact CD-O 3.21Å; R683-N726 PolarHBondContact NH1-O 2.66Å; N726-D737 PolarHBondContact ND2-O 3.06Å; N726-D737 PolarHBondContact ND2-OD2 2.83Å; N726-D737 VanDerWaalsContact ND2-OD2 3.11Å; N726-D737 PolarHBondContact OD1-O 3.17Å; N726-R739 HydrophobicContact CB-CG 4Å; N726-R739 PolarHBondContact N-O 3.45Å; N726-R739 PolarHBondContact OD1-N 2.9Å; N726-R739 PolarHBondContact OD1-O 3.41Å; N726-E741 VanDerWaalsContact CA-CD 3.44Å; N726-E741 WeakPolarHBondContact CA-OE2 3.46Å; N726-E741 HydrophobicContact CB-CG 4.06Å; N726-E741 VanDerWaalsContact CB-OE1 3.29Å; N726-E741 WeakPolarHBondContact CB-OE1 3.28Å
727	M	93.7	Very high	90.8	Very high	43 Å²	43	48.9 Å²	48.9	21%	0.212	25%	0.253	C	S	.	.	S	Bend	trans	-132.4	175.9	175	65.8	-171	80.7	0	0	110.8	F725 P729 K735 D737 L738	F725-M727 VanDerWaalsContact C-N 3.25Å; F725-M727 VanDerWaalsContact CB-O 3.28Å; F725-M727 WeakPolarHBondContact CB-O 3.26Å; F725-M727 PolarHBondContact O-N 3.27Å; M727-P729 VanDerWaalsContact O-CD 3.31Å; M727-P729 WeakPolarHBondContact O-CD 3.38Å; M727-K735 HydrophobicContact SD-CB 4.45Å; M727-K735 HydrophobicContact SD-CD 3.69Å; M727-D737 HydrophobicContact CE-CB 4.41Å; M727-L738 HydrophobicContact CG-CD1 3.74Å
728	K	95.6	Very high	91.1	Very high	43 Å²	43	49.2 Å²	49.2	19%	0.187	26%	0.255	C	S	.	.			trans	-66.8	124.4	178	-54	-165.3	-146.5	151.8	0	110.8	Q682 N702 S730 E731 G732	Q682-K728 HydrophobicContact CB-CD 4.27Å; Q682-K728 HydrophobicContact CB-CG 4.45Å; Q682-K728 WeakPolarHBondContact O-CG 3.42Å; N702-K728 WeakPolarHBondContact OD1-CE 3.35Å; N702-K728 PolarHBondContact OD1-NZ 3.04Å; K728-S730 VanDerWaalsContact C-N 3.26Å; K728-S730 PolarHBondContact O-N 2.82Å; K728-E731 HydrophobicContact CB-CB 4.32Å; K728-E731 HydrophobicContact CB-CG 4.23Å; K728-E731 WeakPolarHBondContact CD-OE1 3.33Å; K728-E731 VanDerWaalsContact CE-OE1 3.29Å; K728-E731 WeakPolarHBondContact CE-OE1 3.49Å; K728-E731 IonicContact NZ-OE1 2.66Å; K728-E731 PolarHBondContact NZ-OE1 2.71Å; K728-E731 PolarHBondContact O-N 2.94Å; K728-G732 PolarHBondContact O-N 3.42Å
729	P	94.3	Very high	91.3	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-49.1	-41.5	177.5	-33.8	37.5	0	0	0	114.7	R683 E685 Y698 F725 M727 E731 G732 R733	R683-P729 WeakPolarHBondContact O-CD 3.2Å; E685-P729 HydrophobicContact CB-CB 4.45Å; E685-P729 HydrophobicContact CB-CG 4.02Å; Y698-P729 HydrophobicContact CD1-CB 4.26Å; Y698-P729 CarbonylContact O-C 3.57Å; F725-P729 HydrophobicContact CB-CG 4.29Å; F725-P729 HydrophobicContact CD2-CG 3.7Å; F725-P729 HydrophobicContact CE2-CG 4.31Å; F725-P729 HydrophobicContact CG-CG 4.11Å; M727-P729 VanDerWaalsContact O-CD 3.31Å; M727-P729 WeakPolarHBondContact O-CD 3.38Å; P729-E731 VanDerWaalsContact C-N 3.29Å; P729-E731 PolarHBondContact O-N 3.37Å; P729-G732 PolarHBondContact O-N 3.1Å; P729-R733 PolarHBondContact O-N 3.15Å
730	S	92	Very high	91.3	Very high	58 Å²	58	53.9 Å²	53.9	41%	0.406	28%	0.278	S	S	.	.	H	α-helix	trans	-65.9	-29.4	-178.8	59.5	0	0	0	0	113.9	Y698 S700 K728	Y698-S730 VanDerWaalsContact O-CA 3.27Å; Y698-S730 WeakPolarHBondContact O-CA 3.48Å; Y698-S730 PolarHBondContact O-N 2.94Å; Y698-S730 VanDerWaalsContact O-N 3.09Å; S700-S730 WeakPolarHBondContact OG-CB 3.42Å; S700-S730 PolarHBondContact OG-N 3.48Å; S700-S730 VanDerWaalsContact OG-N 3.09Å; S700-S730 PolarHBondContact OG-OG 3.36Å; K728-S730 VanDerWaalsContact C-N 3.26Å; K728-S730 PolarHBondContact O-N 2.82Å
731	E	90.5	Very high	91.2	Very high	108 Å²	108	57.4 Å²	57.4	51%	0.505	29%	0.294	S	S	.	.	H	α-helix	trans	-93.1	-19.9	178	-62.2	168.9	-168.5	0	0	112.2	K728 P729 K735	K728-E731 HydrophobicContact CB-CB 4.32Å; K728-E731 HydrophobicContact CB-CG 4.23Å; K728-E731 WeakPolarHBondContact CD-OE1 3.33Å; K728-E731 VanDerWaalsContact CE-OE1 3.29Å; K728-E731 WeakPolarHBondContact CE-OE1 3.49Å; K728-E731 IonicContact NZ-OE1 2.66Å; K728-E731 PolarHBondContact NZ-OE1 2.71Å; K728-E731 PolarHBondContact O-N 2.94Å; P729-E731 VanDerWaalsContact C-N 3.29Å; P729-E731 PolarHBondContact O-N 3.37Å; E731-K735 WeakPolarHBondContact O-CE 3.26Å
732	G	80.7	Confident	91.1	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-101.8	-12.8	-172	0	0	0	0	0	115.7	K728 P729 N734 K735	K728-G732 PolarHBondContact O-N 3.42Å; P729-G732 PolarHBondContact O-N 3.1Å; G732-N734 PolarHBondContact O-N 2.81Å; G732-K735 WeakPolarHBondContact O-CB 3.13Å; G732-K735 PolarHBondContact O-N 2.96Å
733	R	79.2	Confident	91.2	Very high	173 Å²	173	57.9 Å²	57.9	65%	0.653	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.6	-27.8	-169.9	62.1	165.9	-171.2	179.3	3.2	117	Y698 P729	Y698-R733 HydrophobicContact CG-CB 4.41Å; P729-R733 PolarHBondContact O-N 3.15Å
734	N	81.2	Confident	91.2	Very high	142 Å²	142	57.9 Å²	57.9	76%	0.759	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.6	8.1	-179.6	-64.9	4.7	0	0	0	113.1	G732	G732-N734 PolarHBondContact O-N 2.81Å
735	K	84.8	Confident	91.2	Very high	117 Å²	117	57.9 Å²	57.9	51%	0.509	30%	0.297	S	S	.	.			trans	-101.1	127.8	-177.7	-61.3	-177.9	-175.3	173.2	0	109.8	M727 E731 G732 D737 L738	M727-K735 HydrophobicContact SD-CB 4.45Å; M727-K735 HydrophobicContact SD-CD 3.69Å; E731-K735 WeakPolarHBondContact O-CE 3.26Å; G732-K735 WeakPolarHBondContact O-CB 3.13Å; G732-K735 PolarHBondContact O-N 2.96Å; K735-D737 PolarHBondContact O-N 3.14Å; K735-D737 VanDerWaalsContact O-N 3.15Å; K735-L738 WeakPolarHBondContact O-CB 3.19Å; K735-L738 PolarHBondContact O-N 2.76Å
736	A	81.4	Confident	91.3	Very high	117 Å²	117	57.4 Å²	57.4	97%	0.967	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-22.6	-177.9	0	0	0	0	0	114.6
737	D	88	Confident	91.4	Very high	88 Å²	88	56.1 Å²	56.1	47%	0.471	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.4	7	175.7	-174.8	48.1	0	0	0	113.4	N726 M727 K735 R739	N726-D737 PolarHBondContact ND2-O 3.06Å; N726-D737 PolarHBondContact ND2-OD2 2.83Å; N726-D737 VanDerWaalsContact ND2-OD2 3.11Å; N726-D737 PolarHBondContact OD1-O 3.17Å; M727-D737 HydrophobicContact CE-CB 4.41Å; K735-D737 PolarHBondContact O-N 3.14Å; K735-D737 VanDerWaalsContact O-N 3.15Å; D737-R739 PolarHBondContact O-N 3.09Å; D737-R739 IonicContact OD1-CZ 3.42Å; D737-R739 IonicContact OD1-NH1 2.83Å; D737-R739 PolarHBondContact OD1-NH1 3.26Å; D737-R739 IonicContact OD2-NH1 2.71Å
738	L	90.2	Very high	91.6	Very high	34 Å²	34	55.7 Å²	55.7	18%	0.178	29%	0.286	C	S	.	.			trans	-67.8	106.2	174.5	-179.5	67.4	0	0	0	110.3	Y698 F725 M727 K735	Y698-L738 HydrophobicContact CD1-CD2 4.07Å; Y698-L738 HydrophobicContact CE1-CD2 4.1Å; F725-L738 HydrophobicContact CB-CD1 3.87Å; F725-L738 HydrophobicContact CD1-CD1 3.44Å; F725-L738 VanDerWaalsContact CD1-CD1 3.44Å; F725-L738 HydrophobicContact CD1-CD2 4.28Å; F725-L738 HydrophobicContact CD1-CG 3.58Å; F725-L738 HydrophobicContact CE1-CD1 4.24Å; F725-L738 HydrophobicContact CE1-CD2 4.28Å; F725-L738 HydrophobicContact CE1-CG 3.93Å; F725-L738 HydrophobicContact CG-CD1 3.91Å; F725-L738 HydrophobicContact CG-CG 4.49Å; M727-L738 HydrophobicContact CG-CD1 3.74Å; K735-L738 WeakPolarHBondContact O-CB 3.19Å; K735-L738 PolarHBondContact O-N 2.76Å
739	R	92.8	Very high	91.6	Very high	133 Å²	133	53.6 Å²	53.6	50%	0.502	28%	0.277	S	S	.	.			trans	-129.1	142.1	-177.9	66.4	-175.1	-173.6	-123.6	4.6	112.5	F725 N726 D737 E741	F725-R739 CarbonylContact C-O 3.59Å; F725-R739 VanDerWaalsContact CA-O 3.22Å; F725-R739 WeakPolarHBondContact CA-O 3.5Å; F725-R739 WeakPolarHBondContact CD1-O 3.24Å; N726-R739 HydrophobicContact CB-CG 4Å; N726-R739 PolarHBondContact N-O 3.45Å; N726-R739 PolarHBondContact OD1-N 2.9Å; N726-R739 PolarHBondContact OD1-O 3.41Å; D737-R739 PolarHBondContact O-N 3.09Å; D737-R739 IonicContact OD1-CZ 3.42Å; D737-R739 IonicContact OD1-NH1 2.83Å; D737-R739 PolarHBondContact OD1-NH1 3.26Å; D737-R739 IonicContact OD2-NH1 2.71Å; R739-E741 IonicContact NH2-OE1 3.39Å
740	A	94.9	Very high	91.6	Very high	34 Å²	34	55.4 Å²	55.4	28%	0.281	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	126.3	171.9	0	0	0	0	0	109.9	A723 F725 V950 N951	A723-A740 HydrophobicContact CB-CB 3.51Å; F725-A740 HydrophobicContact CD1-CB 4.47Å; F725-A740 HydrophobicContact CE1-CB 4.22Å; F725-A740 HydrophobicContact CZ-CB 4.31Å; A740-V950 HydrophobicContact CB-CG1 4.14Å; A740-N951 HydrophobicContact CB-CB 4.29Å
741	E	94.4	Very high	91.7	Very high	74 Å²	74	52.6 Å²	52.6	35%	0.346	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	-43.8	-179.8	-61.7	-170.1	142.5	0	0	111.6	R683 V724 N726 R739	R683-E741 IonicContact CZ-OE2 2.92Å; R683-E741 IonicContact NH1-OE2 3.68Å; R683-E741 PolarHBondContact NH1-OE2 3.36Å; R683-E741 IonicContact NH2-OE2 3.2Å; R683-E741 PolarHBondContact NH2-OE2 3.42Å; V724-E741 PolarHBondContact O-N 2.79Å; N726-E741 VanDerWaalsContact CA-CD 3.44Å; N726-E741 WeakPolarHBondContact CA-OE2 3.46Å; N726-E741 HydrophobicContact CB-CG 4.06Å; N726-E741 VanDerWaalsContact CB-OE1 3.29Å; N726-E741 WeakPolarHBondContact CB-OE1 3.28Å; R739-E741 IonicContact NH2-OE1 3.39Å
742	E	96.8	Very high	91.6	Very high	14 Å²	14	49.3 Å²	49.3	7%	0.065	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	147.1	-176.8	-69.2	-174.1	-141.8	0	0	111.7	Y680 A723 V724 R814 R815	Y680-E742 PolarHBondContact OH-OE2 2.93Å; A723-E742 CarbonylContact C-O 3.59Å; A723-E742 WeakPolarHBondContact CA-O 3.19Å; V724-E742 HydrophobicContact CB-CB 4.4Å; V724-E742 PolarHBondContact N-O 2.92Å; V724-E742 PolarHBondContact O-N 2.95Å; E742-R814 WeakPolarHBondContact CA-O 3.37Å; E742-R814 HydrophobicContact CB-CB 4.32Å; E742-R814 IonicContact OE2-NE 2.87Å; E742-R815 HydrophobicContact CG-CG 3.97Å; E742-R815 IonicContact OE1-CZ 3.9Å; E742-R815 VanDerWaalsContact OE1-CZ 3.28Å; E742-R815 IonicContact OE1-NE 2.73Å; E742-R815 IonicContact OE1-NH1 3.88Å; E742-R815 PolarHBondContact OE1-NH1 3.37Å; E742-R815 IonicContact OE1-NH2 3.94Å
743	K	97.6	Very high	92.1	Very high	1 Å²	1	52.8 Å²	52.8	0%	0.004	27%	0.273	C	S	.	.			trans	-158.5	144.8	165.7	-165.9	178.9	66	68.7	0	109.9	A723 L745 V746 R814 R821 G949 V950 H952	A723-K743 HydrophobicContact CB-CB 4.22Å; K743-L745 PolarHBondContact O-N 3Å; K743-V746 VanDerWaalsContact NZ-CG2 3.28Å; K743-R814 PolarHBondContact N-O 3.28Å; K743-R814 VanDerWaalsContact O-CA 3.29Å; K743-R814 WeakPolarHBondContact O-CA 3.03Å; K743-R821 VanDerWaalsContact O-CZ 3.24Å; K743-R821 PolarHBondContact O-NH1 3.35Å; K743-R821 PolarHBondContact O-NH2 3.3Å; K743-G949 WeakPolarHBondContact CE-O 3.37Å; K743-V950 HydrophobicContact CB-CG1 4.42Å; K743-V950 VanDerWaalsContact CB-O 3.25Å; K743-V950 WeakPolarHBondContact CB-O 3.37Å; K743-V950 WeakPolarHBondContact CD-O 3.38Å; K743-V950 WeakPolarHBondContact CE-O 3.31Å; K743-H952 VanDerWaalsContact CD-O 3.32Å; K743-H952 WeakPolarHBondContact CD-O 3.44Å; K743-H952 WeakPolarHBondContact CE-O 3.42Å
744	E	98.2	Very high	92.7	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	24%	0.242	C	C	.	.			trans	-47	136.5	169.1	-60.4	67.4	-140.6	0	0	110	Y675 R684 V746 W807 V808 R814 R821	Y675-E744 VanDerWaalsContact CE2-OE1 3.31Å; Y675-E744 WeakPolarHBondContact CE2-OE1 3.32Å; Y675-E744 WeakPolarHBondContact OH-CG 3.37Å; Y675-E744 PolarHBondContact OH-OE1 3.02Å; R684-E744 IonicContact CZ-OE1 3.23Å; R684-E744 IonicContact CZ-OE2 3.21Å; R684-E744 IonicContact NH1-OE1 2.78Å; R684-E744 PolarHBondContact NH1-OE1 2.95Å; R684-E744 IonicContact NH1-OE2 2.8Å; R684-E744 PolarHBondContact NH1-OE2 3.27Å; R684-E744 IonicContact NH2-OE1 3.37Å; R684-E744 PolarHBondContact NH2-OE1 2.74Å; R684-E744 IonicContact NH2-OE2 2.8Å; E744-V746 HydrophobicContact CB-CG1 4.37Å; E744-W807 HydrophobicContact CB-CE3 3.98Å; E744-W807 HydrophobicContact CG-CE3 4.3Å; E744-V808 WeakPolarHBondContact CA-O 3.22Å; E744-V808 WeakPolarHBondContact CB-O 3.48Å; E744-R814 HydrophobicContact CG-CG 4.35Å; E744-R814 WeakPolarHBondContact OE1-CD 3.39Å; E744-R821 PolarHBondContact O-NH1 3.04Å
745	L	98.2	Very high	93.1	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74	127.7	170.7	171.8	73.1	0	0	0	106.8	K743 F747 L785 F791 V808 A813 L816 R821 I824 T947	K743-L745 PolarHBondContact O-N 3Å; L745-F747 HydrophobicContact CD1-CZ 4.44Å; L745-F747 HydrophobicContact CD2-CE2 3.94Å; L745-F747 HydrophobicContact CD2-CZ 4Å; L745-F747 HydrophobicContact CG-CE2 3.84Å; L745-F747 HydrophobicContact CG-CZ 4.11Å; L745-L785 HydrophobicContact CD2-CD2 4.49Å; L745-F791 HydrophobicContact CD2-CE2 3.92Å; L745-F791 HydrophobicContact CD2-CZ 4.32Å; L745-V808 HydrophobicContact CB-CB 4.12Å; L745-V808 PolarHBondContact N-O 3.37Å; L745-V808 WeakPolarHBondContact O-CB 2.96Å; L745-V808 PolarHBondContact O-N 2.94Å; L745-A813 HydrophobicContact CB-CB 4.25Å; L745-L816 HydrophobicContact CD2-CD1 4.15Å; L745-R821 HydrophobicContact CD1-CB 4.32Å; L745-R821 HydrophobicContact CD1-CG 4.06Å; L745-I824 HydrophobicContact CD2-CD1 4.01Å; L745-I824 HydrophobicContact CD2-CG2 4.28Å; L745-T947 HydrophobicContact CD1-CG2 3.63Å
746	V	98.1	Very high	93.3	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	149.9	-169.6	-68.2	0	0	0	0	111.5	K743 E744 C806 W807 V946 T947 L954	K743-V746 VanDerWaalsContact NZ-CG2 3.28Å; E744-V746 HydrophobicContact CB-CG1 4.37Å; V746-C806 WeakPolarHBondContact CA-O 3.46Å; V746-W807 HydrophobicContact CG1-CD2 3.81Å; V746-W807 HydrophobicContact CG1-CE3 3.58Å; V746-W807 HydrophobicContact CG1-CG 4.32Å; V746-W807 HydrophobicContact CG1-CH2 4.44Å; V746-W807 HydrophobicContact CG1-CZ3 3.92Å; V746-V946 HydrophobicContact CG2-CG1 3.93Å; V746-V946 WeakPolarHBondContact CG2-O 3.41Å; V746-T947 VanDerWaalsContact O-CA 3.26Å; V746-T947 WeakPolarHBondContact O-CA 3.3Å; V746-T947 VanDerWaalsContact O-CB 3.3Å; V746-T947 WeakPolarHBondContact O-CB 3.48Å; V746-T947 WeakPolarHBondContact O-CG2 3.25Å; V746-T947 PolarHBondContact O-OG1 2.96Å; V746-L954 HydrophobicContact CB-CD2 3.68Å; V746-L954 HydrophobicContact CG1-CD2 3.95Å; V746-L954 HydrophobicContact CG2-CD2 4.05Å
747	F	97.7	Very high	93.8	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	135.4	175.4	-59	-93.5	0	0	0	108.2	L745 L785 H805 C806 V808 I824 M828 L942 T947	L745-F747 HydrophobicContact CD1-CZ 4.44Å; L745-F747 HydrophobicContact CD2-CE2 3.94Å; L745-F747 HydrophobicContact CD2-CZ 4Å; L745-F747 HydrophobicContact CG-CE2 3.84Å; L745-F747 HydrophobicContact CG-CZ 4.11Å; F747-L785 HydrophobicContact CD2-CD1 4.23Å; F747-L785 HydrophobicContact CE2-CD1 3.86Å; F747-L785 HydrophobicContact CE2-CD2 3.68Å; F747-L785 HydrophobicContact CE2-CG 4.34Å; F747-L785 HydrophobicContact CZ-CD2 3.81Å; F747-H805 CarbonylContact O-C 3.36Å; F747-H805 VanDerWaalsContact O-CA 3.26Å; F747-H805 WeakPolarHBondContact O-CA 3.4Å; F747-C806 HydrophobicContact CB-CB 4.11Å; F747-C806 HydrophobicContact CD2-CB 4.11Å; F747-C806 PolarHBondContact N-O 3.13Å; F747-C806 VanDerWaalsContact N-O 3.14Å; F747-C806 PolarHBondContact O-N 2.86Å; F747-V808 HydrophobicContact CE2-CG2 4.13Å; F747-I824 HydrophobicContact CZ-CG2 4.07Å; F747-M828 HydrophobicContact CE1-CE 4.49Å; F747-M828 HydrophobicContact CE1-SD 3.87Å; F747-M828 HydrophobicContact CZ-SD 3.94Å; F747-L942 HydrophobicContact CD1-CD1 4.35Å; F747-L942 HydrophobicContact CD1-CD2 4.23Å; F747-T947 HydrophobicContact CD1-CG2 4.14Å; F747-T947 HydrophobicContact CE1-CG2 3.78Å; F747-T947 HydrophobicContact CZ-CG2 4.14Å
748	D	97	Very high	94	Very high	33 Å²	33	30.7 Å²	30.7	18%	0.176	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	138.8	171.8	-163.8	-6	0	0	0	108.9	H805 D943 V946	D748-H805 IonicContact OD1-CD2 3.89Å; D748-H805 PolarHBondContact OD1-CD2 3.28Å; D748-H805 VanDerWaalsContact OD1-CD2 3.26Å; D748-H805 IonicContact OD1-NE2 2.7Å; D748-H805 IonicContact OD2-CD2 3.89Å; D748-H805 IonicContact OD2-NE2 2.73Å; D748-D943 PolarHBondContact O-N 3.04Å; D748-V946 HydrophobicContact CB-CB 4.33Å; D748-V946 HydrophobicContact CB-CG1 4.14Å; D748-V946 HydrophobicContact CB-CG2 4.14Å
749	I	96.1	Very high	94.1	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	102.7	-175.5	-47.8	173.7	0	0	0	106.6	Y754 I774 A777 I781 W796 G803 V804 L942	I749-Y754 HydrophobicContact CG2-CE2 4.18Å; I749-I774 HydrophobicContact CB-CD1 4.43Å; I749-I774 HydrophobicContact CG2-CD1 3.71Å; I749-A777 HydrophobicContact CD1-CB 4.01Å; I749-A777 HydrophobicContact CG2-CB 4.27Å; I749-I781 HydrophobicContact CD1-CD1 3.32Å; I749-I781 HydrophobicContact CG1-CD1 4.18Å; I749-W796 HydrophobicContact CD1-CH2 4.03Å; I749-W796 HydrophobicContact CD1-CZ3 3.82Å; I749-G803 CarbonylContact O-C 3.56Å; I749-G803 WeakPolarHBondContact O-CA 3.49Å; I749-V804 HydrophobicContact CB-CG2 4.13Å; I749-V804 HydrophobicContact CD1-CG2 3.97Å; I749-V804 HydrophobicContact CG1-CG2 4.39Å; I749-V804 PolarHBondContact N-O 3.45Å; I749-V804 PolarHBondContact O-N 3.35Å; I749-L942 HydrophobicContact CG1-CD2 4.19Å
750	D	94.5	Very high	94	Very high	37 Å²	37	27.7 Å²	27.7	20%	0.198	16%	0.156	C	C	.	.			trans	-100.9	137.4	176.9	-166.1	-45.4	0	0	0	111	T752 D753 R802	D750-T752 PolarHBondContact O-N 3.44Å; D750-T752 PolarHBondContact OD1-N 2.99Å; D750-T752 PolarHBondContact OD1-OG1 2.98Å; D750-D753 WeakPolarHBondContact O-CB 3.44Å; D750-D753 PolarHBondContact O-N 2.93Å; D750-D753 VanDerWaalsContact O-N 3.1Å; D750-R802 WeakPolarHBondContact OD1-CD 3.25Å; D750-R802 VanDerWaalsContact OD1-CG 3.28Å; D750-R802 WeakPolarHBondContact OD1-CG 3.3Å; D750-R802 IonicContact OD1-CZ 3.47Å; D750-R802 VanDerWaalsContact OD1-CZ 3.23Å; D750-R802 IonicContact OD1-NE 2.66Å; D750-R802 PolarHBondContact OD1-NE 3.49Å; D750-R802 IonicContact OD1-NH2 3.74Å; D750-R802 PolarHBondContact OD1-NH2 3.43Å; D750-R802 IonicContact OD2-CZ 2.86Å; D750-R802 IonicContact OD2-NE 3.09Å; D750-R802 PolarHBondContact OD2-NE 3.25Å; D750-R802 IonicContact OD2-NH2 3.1Å; D750-R802 PolarHBondContact OD2-NH2 2.86Å
751	M	93.7	Very high	93.6	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	15%	0.151	C	C	.	.	G	3₁₀ helix	trans	-57.7	-24.4	173.5	-171.8	57.9	56.3	0	0	114.4	D753 Y754 R758 M766 C770 F773 I774 R802	M751-D753 PolarHBondContact O-N 3.03Å; M751-Y754 WeakPolarHBondContact O-CB 3.24Å; M751-Y754 PolarHBondContact O-N 3.21Å; M751-Y754 VanDerWaalsContact O-N 3.13Å; M751-R758 VanDerWaalsContact CG-CZ 3.48Å; M751-M766 HydrophobicContact CE-CG 4.3Å; M751-M766 HydrophobicContact CG-CG 4.21Å; M751-C770 HydrophobicContact CE-CB 4.29Å; M751-C770 WeakPolarHBondContact CE-O 3.28Å; M751-C770 HydrophobicContact SD-CB 3.71Å; M751-F773 HydrophobicContact CE-CB 4.38Å; M751-F773 HydrophobicContact SD-CD2 4.31Å; M751-I774 HydrophobicContact CE-CD1 3.94Å; M751-I774 HydrophobicContact CE-CG1 3.45Å; M751-I774 VanDerWaalsContact CE-CG1 3.45Å; M751-R802 HydrophobicContact CB-CB 3.94Å; M751-R802 HydrophobicContact CB-CG 4.32Å; M751-R802 WeakPolarHBondContact CB-O 3.35Å
752	T	88.6	Confident	92.9	Very high	39 Å²	39	27.7 Å²	27.7	24%	0.239	16%	0.162	C	C	.	.	G	3₁₀ helix	trans	-62.1	-30.2	173.9	19.9	0	0	0	0	113	D750 Y754 D755 G763 R802	D750-T752 PolarHBondContact O-N 3.44Å; D750-T752 PolarHBondContact OD1-N 2.99Å; D750-T752 PolarHBondContact OD1-OG1 2.98Å; T752-Y754 PolarHBondContact O-N 3.19Å; T752-D755 WeakPolarHBondContact O-CB 3.42Å; T752-D755 PolarHBondContact O-N 3.13Å; T752-G763 WeakPolarHBondContact CG2-O 3.25Å; T752-R802 VanDerWaalsContact OG1-CZ 3.22Å; T752-R802 PolarHBondContact OG1-NH2 3.05Å
753	D	90.6	Very high	92.1	Very high	72 Å²	72	28.1 Å²	28.1	39%	0.385	17%	0.17	S	C	.	.	G	3₁₀ helix	trans	-65.3	-14.3	179.2	-58.8	-46.9	0	0	0	111.3	D750 M751 R941	D750-D753 WeakPolarHBondContact O-CB 3.44Å; D750-D753 PolarHBondContact O-N 2.93Å; D750-D753 VanDerWaalsContact O-N 3.1Å; M751-D753 PolarHBondContact O-N 3.03Å; D753-R941 HydrophobicContact CB-CB 3.74Å; D753-R941 WeakPolarHBondContact O-CD 3.3Å; D753-R941 PolarHBondContact O-NH1 2.83Å
754	Y	92.7	Very high	91	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	19%	0.185	C	C	.	.	G	3₁₀ helix	trans	-95.4	6.7	176.6	-65.3	-96	0	0	0	114.5	I749 M751 T752 D756 V757 R758 F773 Y939 P940 R941	I749-Y754 HydrophobicContact CG2-CE2 4.18Å; M751-Y754 WeakPolarHBondContact O-CB 3.24Å; M751-Y754 PolarHBondContact O-N 3.21Å; M751-Y754 VanDerWaalsContact O-N 3.13Å; T752-Y754 PolarHBondContact O-N 3.19Å; Y754-D756 VanDerWaalsContact C-N 3.29Å; Y754-D756 PolarHBondContact O-N 2.69Å; Y754-V757 HydrophobicContact CD1-CG2 4.11Å; Y754-V757 VanDerWaalsContact O-CG2 3.3Å; Y754-V757 WeakPolarHBondContact O-CG2 3.46Å; Y754-V757 PolarHBondContact O-N 3.18Å; Y754-V757 VanDerWaalsContact O-N 3.11Å; Y754-R758 WeakPolarHBondContact O-CG 3.38Å; Y754-R758 PolarHBondContact O-N 3.44Å; Y754-F773 HydrophobicContact CD1-CB 3.93Å; Y754-F773 AromaticContact CD1-CD1 3.83Å; Y754-F773 HydrophobicContact CD1-CD1 3.83Å; Y754-F773 HydrophobicContact CD1-CD2 4.42Å; Y754-F773 HydrophobicContact CD1-CE1 4.44Å; Y754-F773 AromaticContact CD1-CG 3.82Å; Y754-F773 HydrophobicContact CD1-CG 3.82Å; Y754-F773 HydrophobicContact CE1-CB 3.88Å; Y754-F773 HydrophobicContact CE1-CD1 4.02Å; Y754-F773 HydrophobicContact CE1-CG 4.14Å; Y754-F773 HydrophobicContact CG-CB 4.32Å; Y754-F773 HydrophobicContact CG-CG 4.37Å; Y754-Y939 PolarHBondContact OH-O 3.47Å; Y754-P940 VanDerWaalsContact OH-CA 3.3Å; Y754-P940 WeakPolarHBondContact OH-CA 3.27Å; Y754-R941 HydrophobicContact CD1-CG 4.4Å; Y754-R941 HydrophobicContact CE1-CG 3.94Å; Y754-R941 HydrophobicContact CE2-CB 3.97Å; Y754-R941 HydrophobicContact CE2-CG 4.11Å; Y754-R941 PolarHBondContact OH-N 3.36Å; Y754-R941 VanDerWaalsContact OH-N 3.14Å
755	D	90	Very high	89.9	Confident	60 Å²	60	31.9 Å²	31.9	32%	0.321	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-25.7	-173.7	-91.3	-9.3	0	0	0	115.2	T752 R758 G763	T752-D755 WeakPolarHBondContact O-CB 3.42Å; T752-D755 PolarHBondContact O-N 3.13Å; D755-R758 IonicContact OD1-CZ 3.76Å; D755-R758 IonicContact OD1-NE 3.49Å; D755-R758 PolarHBondContact OD1-NE 2.92Å; D755-R758 IonicContact OD1-NH2 3.14Å; D755-R758 PolarHBondContact OD1-NH2 3.49Å; D755-G763 PolarHBondContact OD1-N 3.35Å; D755-G763 VanDerWaalsContact OD2-CA 3.29Å; D755-G763 WeakPolarHBondContact OD2-CA 3.36Å; D755-G763 PolarHBondContact OD2-N 2.74Å
756	D	88.2	Confident	89.3	Confident	94 Å²	94	33.9 Å²	33.9	50%	0.503	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-26	175.3	49.2	-72.3	0	0	0	114	Y754 R881 R941	Y754-D756 VanDerWaalsContact C-N 3.29Å; Y754-D756 PolarHBondContact O-N 2.69Å; D756-R881 PolarHBondContact O-NH1 3.28Å; D756-R881 VanDerWaalsContact O-NH1 3.17Å; D756-R941 IonicContact OD1-CZ 3.37Å; D756-R941 IonicContact OD1-NH1 3.43Å; D756-R941 PolarHBondContact OD1-NH1 3.14Å; D756-R941 IonicContact OD2-CZ 3.69Å; D756-R941 IonicContact OD2-NH1 3.7Å; D756-R941 PolarHBondContact OD2-NH1 2.79Å; D756-R941 IonicContact OD2-NH2 2.94Å; D756-R941 PolarHBondContact OD2-NH2 2.66Å; D756-R941 VanDerWaalsContact OD2-NH2 3.1Å
757	V	91	Very high	88.7	Confident	13 Å²	13	35.5 Å²	35.5	8%	0.079	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.8	-33.5	-177.3	-68.2	0	0	0	0	114	Y754 F773 W872 L937 R941	Y754-V757 HydrophobicContact CD1-CG2 4.11Å; Y754-V757 VanDerWaalsContact O-CG2 3.3Å; Y754-V757 WeakPolarHBondContact O-CG2 3.46Å; Y754-V757 PolarHBondContact O-N 3.18Å; Y754-V757 VanDerWaalsContact O-N 3.11Å; V757-F773 HydrophobicContact CG2-CE1 4.48Å; V757-F773 HydrophobicContact CG2-CZ 4.43Å; V757-W872 HydrophobicContact CB-CZ2 4.44Å; V757-W872 PolarHBondContact O-NE1 3.14Å; V757-L937 HydrophobicContact CB-CD2 4.31Å; V757-L937 HydrophobicContact CG1-CD2 3.79Å; V757-R941 VanDerWaalsContact CG1-NH2 3.28Å
758	R	92.7	Very high	88.2	Confident	7 Å²	7	39.1 Å²	39.1	3%	0.026	24%	0.241	C	C	.	.			trans	-76.6	142.7	178	75.7	-168.9	-177.8	136.1	-9.8	110.9	M751 Y754 D755 C761 G763 S765 C770 F773	M751-R758 VanDerWaalsContact CG-CZ 3.48Å; Y754-R758 WeakPolarHBondContact O-CG 3.38Å; Y754-R758 PolarHBondContact O-N 3.44Å; D755-R758 IonicContact OD1-CZ 3.76Å; D755-R758 IonicContact OD1-NE 3.49Å; D755-R758 PolarHBondContact OD1-NE 2.92Å; D755-R758 IonicContact OD1-NH2 3.14Å; D755-R758 PolarHBondContact OD1-NH2 3.49Å; R758-C761 VanDerWaalsContact NH1-CB 3.28Å; R758-G763 VanDerWaalsContact NH2-N 3.1Å; R758-G763 PolarHBondContact NH2-O 3.38Å; R758-S765 PolarHBondContact NH1-O 2.83Å; R758-S765 PolarHBondContact NH2-O 3.47Å; R758-C770 HydrophobicContact CB-CB 4.38Å; R758-F773 HydrophobicContact CB-CD2 4.47Å; R758-F773 HydrophobicContact CB-CE2 3.69Å; R758-F773 HydrophobicContact CB-CZ 4.37Å
759	T	92.5	Very high	88	Confident	64 Å²	64	42.2 Å²	42.2	39%	0.393	25%	0.253	S	S	.	.			trans	-118.1	-18.4	-178.1	64.5	0	0	0	0	112.7	Q870	T759-Q870 WeakPolarHBondContact CB-O 3.08Å; T759-Q870 VanDerWaalsContact CG2-O 3.29Å; T759-Q870 WeakPolarHBondContact CG2-O 3.28Å; T759-Q870 VanDerWaalsContact OG1-C 3.29Å; T759-Q870 WeakPolarHBondContact OG1-CA 3.35Å; T759-Q870 PolarHBondContact OG1-O 3.4Å; T759-Q870 PolarHBondContact OG1-OE1 3.49Å
760	C	89.7	Confident	87.9	Confident	39 Å²	39	42.2 Å²	42.2	26%	0.264	25%	0.253	S	S	.	.	S	Bend	trans	-82.6	-14	-175.1	67.9	0	0	0	0	114.6	K769 C770 Q870	C760-K769 HydrophobicContact CB-CB 4.18Å; C760-K769 HydrophobicContact CB-CD 3.86Å; C760-C770 VanDerWaalsContact SG-CB 3.58Å; C760-Q870 PolarHBondContact SG-NE2 3.44Å
761	C	87.2	Confident	87.9	Confident	25 Å²	25	41 Å²	41	17%	0.169	25%	0.246	C	C	.	.			trans	-155.2	164.7	-174.8	-75.1	0	0	0	0	109.2	R758 S765	R758-C761 VanDerWaalsContact NH1-CB 3.28Å; C761-S765 WeakPolarHBondContact CB-OG 3.5Å
762	S	79.5	Confident	88	Confident	84 Å²	84	42 Å²	42	59%	0.587	25%	0.251	S	S	*	.			trans	-146.4	154.7	172.6	59.3	0	0	0	0	112.4	G764 S765	S762-G764 PolarHBondContact O-N 3.04Å; S762-S765 PolarHBondContact N-OG 3.33Å; S762-S765 PolarHBondContact O-N 2.82Å; S762-S765 VanDerWaalsContact O-N 3.12Å; S762-S765 PolarHBondContact O-OG 3.5Å
763	G	79.7	Confident	88.3	Confident	22 Å²	22	40.1 Å²	40.1	23%	0.227	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.5	-121.3	174.6	0	0	0	0	0	114.2	T752 D755 R758 S765 R802	T752-G763 WeakPolarHBondContact CG2-O 3.25Å; D755-G763 PolarHBondContact OD1-N 3.35Å; D755-G763 VanDerWaalsContact OD2-CA 3.29Å; D755-G763 WeakPolarHBondContact OD2-CA 3.36Å; D755-G763 PolarHBondContact OD2-N 2.74Å; R758-G763 VanDerWaalsContact NH2-N 3.1Å; R758-G763 PolarHBondContact NH2-O 3.38Å; G763-S765 PolarHBondContact O-N 2.77Å; G763-R802 PolarHBondContact O-NH1 2.68Å
764	G	74.8	Confident	88.6	Confident	30 Å²	30	36.7 Å²	36.7	31%	0.309	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69	-11	-177.7	0	0	0	0	0	116.4	S762 R801	S762-G764 PolarHBondContact O-N 3.04Å; G764-R801 PolarHBondContact O-NE 3.42Å; G764-R801 VanDerWaalsContact O-NE 3.08Å; G764-R801 PolarHBondContact O-NH2 3.39Å
765	S	76.6	Confident	88.8	Confident	51 Å²	51	37 Å²	37	36%	0.357	22%	0.224	S	C	.	.			trans	-88	153.6	-175.8	66.7	0	0	0	0	112.5	R758 C761 S762 G763	R758-S765 PolarHBondContact NH1-O 2.83Å; R758-S765 PolarHBondContact NH2-O 3.47Å; C761-S765 WeakPolarHBondContact CB-OG 3.5Å; S762-S765 PolarHBondContact N-OG 3.33Å; S762-S765 PolarHBondContact O-N 2.82Å; S762-S765 VanDerWaalsContact O-N 3.12Å; S762-S765 PolarHBondContact O-OG 3.5Å; G763-S765 PolarHBondContact O-N 2.77Å
766	M	85.2	Confident	89.1	Confident	41 Å²	41	34.2 Å²	34.2	20%	0.202	21%	0.209	C	C	.	.			trans	-155.1	144.5	174.7	-174.4	-104.2	-75.8	0	0	109.2	M751 W771 Y798 R801 R802 P981	M751-M766 HydrophobicContact CE-CG 4.3Å; M751-M766 HydrophobicContact CG-CG 4.21Å; M766-W771 HydrophobicContact CE-CD2 4.33Å; M766-W771 HydrophobicContact CE-CE3 3.38Å; M766-W771 HydrophobicContact CE-CZ3 3.66Å; M766-W771 HydrophobicContact SD-CB 3.94Å; M766-W771 HydrophobicContact SD-CD2 4.28Å; M766-W771 HydrophobicContact SD-CE3 3.71Å; M766-W771 HydrophobicContact SD-CG 4.4Å; M766-Y798 HydrophobicContact CE-CE2 4.34Å; M766-R801 VanDerWaalsContact CE-O 3.31Å; M766-R801 WeakPolarHBondContact CE-O 3.47Å; M766-R802 HydrophobicContact CB-CB 4.19Å; M766-R802 HydrophobicContact CE-CB 4.44Å; M766-P981 HydrophobicContact CE-CB 3.74Å; M766-P981 HydrophobicContact CE-CG 3.69Å; M766-P981 HydrophobicContact SD-CB 4.35Å; M766-P981 HydrophobicContact SD-CG 4.06Å
767	C	84.7	Confident	89.5	Confident	34 Å²	34	29.8 Å²	29.8	23%	0.23	19%	0.185	C	C	.	.			trans	-139.6	171	173.4	74.5	0	0	0	0	110.4	K769 C770 W771	C767-K769 PolarHBondContact O-N 3.29Å; C767-C770 PolarHBondContact N-SG 3.48Å; C767-C770 VanDerWaalsContact N-SG 3.4Å; C767-C770 PolarHBondContact O-N 3.29Å; C767-C770 VanDerWaalsContact O-N 3.08Å; C767-C770 PolarHBondContact O-SG 2.96Å; C767-C770 VanDerWaalsContact O-SG 3.41Å; C767-W771 PolarHBondContact O-N 3.35Å
768	N	88.4	Confident	89.8	Confident	76 Å²	76	29.1 Å²	29.1	41%	0.406	18%	0.181	S	C	.	.	H	α-helix	trans	-54.3	-23.5	-178.5	-64.5	-49.9	0	0	0	114.5	N980 E982	N768-N980 PolarHBondContact OD1-OD1 2.92Å; N768-E982 PolarHBondContact ND2-OE2 2.84Å
769	K	91.4	Very high	89.9	Confident	98 Å²	98	32 Å²	32	43%	0.426	19%	0.192	S	C	.	.	H	α-helix	trans	-71	-45.7	175.4	-69.8	-176.9	167.4	-161.8	0	113.7	C760 C767 Q869 Q870	C760-K769 HydrophobicContact CB-CB 4.18Å; C760-K769 HydrophobicContact CB-CD 3.86Å; C767-K769 PolarHBondContact O-N 3.29Å; K769-Q869 VanDerWaalsContact CA-OE1 3.3Å; K769-Q869 HydrophobicContact CB-CB 4.28Å; K769-Q869 HydrophobicContact CD-CB 4.24Å; K769-Q869 HydrophobicContact CG-CB 4.14Å; K769-Q869 HydrophobicContact CG-CG 4.27Å; K769-Q869 PolarHBondContact NZ-O 3.27Å; K769-Q869 PolarHBondContact O-OE1 3Å; K769-Q870 PolarHBondContact O-NE2 2.99Å
770	C	94.2	Very high	90.1	Very high	0 Å²	0	29 Å²	29	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-85.7	-21.5	178.2	58.7	0	0	0	0	112.2	M751 R758 C760 C767 L772 F773	M751-C770 HydrophobicContact CE-CB 4.29Å; M751-C770 WeakPolarHBondContact CE-O 3.28Å; M751-C770 HydrophobicContact SD-CB 3.71Å; R758-C770 HydrophobicContact CB-CB 4.38Å; C760-C770 VanDerWaalsContact SG-CB 3.58Å; C767-C770 PolarHBondContact N-SG 3.48Å; C767-C770 VanDerWaalsContact N-SG 3.4Å; C767-C770 PolarHBondContact O-N 3.29Å; C767-C770 VanDerWaalsContact O-N 3.08Å; C767-C770 PolarHBondContact O-SG 2.96Å; C767-C770 VanDerWaalsContact O-SG 3.41Å; C770-L772 PolarHBondContact O-N 3.01Å; C770-F773 HydrophobicContact CB-CD2 3.94Å; C770-F773 HydrophobicContact CB-CE2 4.14Å; C770-F773 WeakPolarHBondContact O-CB 3.43Å; C770-F773 VanDerWaalsContact O-CD2 3.22Å; C770-F773 WeakPolarHBondContact O-CD2 3.29Å; C770-F773 PolarHBondContact O-N 3.48Å
771	W	94.7	Very high	90.5	Very high	11 Å²	11	27.1 Å²	27.1	4%	0.042	16%	0.161	C	C	.	.	H	α-helix	trans	-52.2	-28.9	171.1	-175.3	-116.8	0	0	0	113.1	M766 C767 F773 I774 V775 Y798 V804 F979 P981	M766-W771 HydrophobicContact CE-CD2 4.33Å; M766-W771 HydrophobicContact CE-CE3 3.38Å; M766-W771 HydrophobicContact CE-CZ3 3.66Å; M766-W771 HydrophobicContact SD-CB 3.94Å; M766-W771 HydrophobicContact SD-CD2 4.28Å; M766-W771 HydrophobicContact SD-CE3 3.71Å; M766-W771 HydrophobicContact SD-CG 4.4Å; C767-W771 PolarHBondContact O-N 3.35Å; W771-F773 PolarHBondContact O-N 3.11Å; W771-I774 HydrophobicContact CD2-CB 4.27Å; W771-I774 HydrophobicContact CE3-CB 3.92Å; W771-I774 HydrophobicContact CE3-CG1 3.79Å; W771-I774 HydrophobicContact CE3-CG2 4.29Å; W771-I774 HydrophobicContact CH2-CB 4.32Å; W771-I774 HydrophobicContact CH2-CG2 3.78Å; W771-I774 HydrophobicContact CZ2-CG2 4.14Å; W771-I774 HydrophobicContact CZ3-CB 3.97Å; W771-I774 HydrophobicContact CZ3-CG1 3.82Å; W771-I774 HydrophobicContact CZ3-CG2 3.85Å; W771-I774 WeakPolarHBondContact O-CA 3.43Å; W771-I774 WeakPolarHBondContact O-CB 3.35Å; W771-I774 PolarHBondContact O-N 2.98Å; W771-V775 PolarHBondContact O-N 3.25Å; W771-V775 VanDerWaalsContact O-N 3.16Å; W771-Y798 AromaticContact CH2-CD2 3.91Å; W771-Y798 HydrophobicContact CH2-CD2 3.91Å; W771-Y798 HydrophobicContact CH2-CE2 4.32Å; W771-Y798 HydrophobicContact CZ3-CD2 4.31Å; W771-Y798 HydrophobicContact CZ3-CE2 4.31Å; W771-V804 HydrophobicContact CH2-CG1 3.58Å; W771-V804 HydrophobicContact CZ2-CG1 4.39Å; W771-V804 HydrophobicContact CZ3-CG1 4.31Å; W771-F979 AromaticContact CE2-CD1 3.99Å; W771-F979 HydrophobicContact CH2-CD1 4.39Å; W771-F979 HydrophobicContact CH2-CE1 4.19Å; W771-F979 AromaticContact CZ2-CD1 3.47Å; W771-F979 HydrophobicContact CZ2-CD1 3.47Å; W771-F979 VanDerWaalsContact CZ2-CD1 3.47Å; W771-F979 AromaticContact CZ2-CE1 3.7Å; W771-F979 HydrophobicContact CZ2-CE1 3.7Å; W771-F979 PolarHBondContact NE1-O 2.96Å; W771-F979 VanDerWaalsContact NE1-O 3.1Å; W771-P981 HydrophobicContact CD2-CG 3.34Å; W771-P981 VanDerWaalsContact CE2-CG 3.44Å; W771-P981 HydrophobicContact CE3-CG 3.55Å; W771-P981 HydrophobicContact CG-CG 3.87Å; W771-P981 HydrophobicContact CH2-CG 3.91Å; W771-P981 HydrophobicContact CZ2-CG 3.76Å; W771-P981 HydrophobicContact CZ3-CG 3.82Å
772	L	95.1	Very high	91	Very high	22 Å²	22	26.9 Å²	26.9	12%	0.115	16%	0.158	C	C	.	.	H	α-helix	trans	-57.3	-28.4	174.6	-170	57.1	0	0	0	114	C770 I774 V775 V776 M862 T865 L866	C770-L772 PolarHBondContact O-N 3.01Å; L772-I774 VanDerWaalsContact C-N 3.34Å; L772-V775 HydrophobicContact CD1-CB 4.34Å; L772-V775 PolarHBondContact O-N 3.49Å; L772-V776 WeakPolarHBondContact O-CG2 3.34Å; L772-V776 PolarHBondContact O-N 3.36Å; L772-M862 HydrophobicContact CD1-CE 3.52Å; L772-M862 HydrophobicContact CD1-SD 3.75Å; L772-T865 HydrophobicContact CD2-CG2 3.56Å; L772-L866 HydrophobicContact CB-CD2 3.84Å; L772-L866 HydrophobicContact CD2-CD2 3.78Å; L772-L866 HydrophobicContact CD2-CG 3.73Å; L772-L866 HydrophobicContact CG-CD1 4.47Å; L772-L866 HydrophobicContact CG-CD2 3.82Å; L772-L866 HydrophobicContact CG-CG 3.96Å
773	F	96.2	Very high	91.8	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-63.2	-39.2	170.9	-67	-68.6	0	0	0	112.2	M751 Y754 V757 R758 C770 W771 V776 A777 L866 Q870 W872 L937	M751-F773 HydrophobicContact CE-CB 4.38Å; M751-F773 HydrophobicContact SD-CD2 4.31Å; Y754-F773 HydrophobicContact CD1-CB 3.93Å; Y754-F773 AromaticContact CD1-CD1 3.83Å; Y754-F773 HydrophobicContact CD1-CD1 3.83Å; Y754-F773 HydrophobicContact CD1-CD2 4.42Å; Y754-F773 HydrophobicContact CD1-CE1 4.44Å; Y754-F773 AromaticContact CD1-CG 3.82Å; Y754-F773 HydrophobicContact CD1-CG 3.82Å; Y754-F773 HydrophobicContact CE1-CB 3.88Å; Y754-F773 HydrophobicContact CE1-CD1 4.02Å; Y754-F773 HydrophobicContact CE1-CG 4.14Å; Y754-F773 HydrophobicContact CG-CB 4.32Å; Y754-F773 HydrophobicContact CG-CG 4.37Å; V757-F773 HydrophobicContact CG2-CE1 4.48Å; V757-F773 HydrophobicContact CG2-CZ 4.43Å; R758-F773 HydrophobicContact CB-CD2 4.47Å; R758-F773 HydrophobicContact CB-CE2 3.69Å; R758-F773 HydrophobicContact CB-CZ 4.37Å; C770-F773 HydrophobicContact CB-CD2 3.94Å; C770-F773 HydrophobicContact CB-CE2 4.14Å; C770-F773 WeakPolarHBondContact O-CB 3.43Å; C770-F773 VanDerWaalsContact O-CD2 3.22Å; C770-F773 WeakPolarHBondContact O-CD2 3.29Å; C770-F773 PolarHBondContact O-N 3.48Å; W771-F773 PolarHBondContact O-N 3.11Å; F773-V776 PolarHBondContact O-N 3.03Å; F773-A777 WeakPolarHBondContact O-CB 3.38Å; F773-A777 PolarHBondContact O-N 3.14Å; F773-L866 HydrophobicContact CD1-CD1 4.16Å; F773-L866 HydrophobicContact CD1-CD2 4.09Å; F773-L866 HydrophobicContact CD2-CD2 4.4Å; F773-L866 HydrophobicContact CE1-CD1 4.13Å; F773-L866 HydrophobicContact CE1-CD2 3.89Å; F773-L866 HydrophobicContact CE2-CD2 4.19Å; F773-L866 HydrophobicContact CG-CD2 4.34Å; F773-L866 HydrophobicContact CZ-CD2 3.94Å; F773-Q870 HydrophobicContact CE2-CG 4.19Å; F773-Q870 HydrophobicContact CZ-CG 3.92Å; F773-W872 AromaticContact CE1-CH2 3.96Å; F773-W872 HydrophobicContact CE1-CH2 3.96Å; F773-W872 AromaticContact CE1-CZ2 3.97Å; F773-W872 HydrophobicContact CE1-CZ2 3.97Å; F773-W872 HydrophobicContact CZ-CH2 4.07Å; F773-W872 AromaticContact CZ-CZ2 3.73Å; F773-W872 HydrophobicContact CZ-CZ2 3.73Å; F773-L937 VanDerWaalsContact CE1-O 3.27Å; F773-L937 WeakPolarHBondContact CE1-O 3.43Å
774	I	96.3	Very high	92.6	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-68.1	-39.5	176	-59.5	-59.9	0	0	0	110.5	I749 M751 W771 L772 A777 I778 V804	I749-I774 HydrophobicContact CB-CD1 4.43Å; I749-I774 HydrophobicContact CG2-CD1 3.71Å; M751-I774 HydrophobicContact CE-CD1 3.94Å; M751-I774 HydrophobicContact CE-CG1 3.45Å; M751-I774 VanDerWaalsContact CE-CG1 3.45Å; W771-I774 HydrophobicContact CD2-CB 4.27Å; W771-I774 HydrophobicContact CE3-CB 3.92Å; W771-I774 HydrophobicContact CE3-CG1 3.79Å; W771-I774 HydrophobicContact CE3-CG2 4.29Å; W771-I774 HydrophobicContact CH2-CB 4.32Å; W771-I774 HydrophobicContact CH2-CG2 3.78Å; W771-I774 HydrophobicContact CZ2-CG2 4.14Å; W771-I774 HydrophobicContact CZ3-CB 3.97Å; W771-I774 HydrophobicContact CZ3-CG1 3.82Å; W771-I774 HydrophobicContact CZ3-CG2 3.85Å; W771-I774 WeakPolarHBondContact O-CA 3.43Å; W771-I774 WeakPolarHBondContact O-CB 3.35Å; W771-I774 PolarHBondContact O-N 2.98Å; L772-I774 VanDerWaalsContact C-N 3.34Å; I774-A777 PolarHBondContact O-N 3.33Å; I774-I778 HydrophobicContact CG2-CD1 3.72Å; I774-I778 HydrophobicContact CG2-CG1 4.18Å; I774-I778 WeakPolarHBondContact O-CB 3.39Å; I774-I778 VanDerWaalsContact O-CG1 3.25Å; I774-I778 WeakPolarHBondContact O-CG1 3.42Å; I774-I778 PolarHBondContact O-N 2.64Å; I774-V804 HydrophobicContact CG2-CB 4.22Å; I774-V804 HydrophobicContact CG2-CG1 3.61Å; I774-V804 HydrophobicContact CG2-CG2 3.54Å
775	V	96.2	Very high	93.7	Very high	7 Å²	7	22.3 Å²	22.3	4%	0.042	11%	0.113	C	C	.	.	H	α-helix	trans	-61.7	-45.8	175.6	175.5	0	0	0	0	111.2	W771 L772 A777 R779 M862 L976	W771-V775 PolarHBondContact O-N 3.25Å; W771-V775 VanDerWaalsContact O-N 3.16Å; L772-V775 HydrophobicContact CD1-CB 4.34Å; L772-V775 PolarHBondContact O-N 3.49Å; V775-A777 VanDerWaalsContact C-N 3.33Å; V775-A777 PolarHBondContact O-N 3.42Å; V775-R779 WeakPolarHBondContact O-CG 3.28Å; V775-R779 PolarHBondContact O-N 3.19Å; V775-R779 VanDerWaalsContact O-N 3.07Å; V775-M862 HydrophobicContact CG1-CE 4.13Å; V775-M862 HydrophobicContact CG1-SD 4.02Å; V775-L976 HydrophobicContact CG1-CD2 4.1Å; V775-L976 HydrophobicContact CG1-CG 4.19Å
776	V	96	Very high	94.6	Very high	1 Å²	1	21.7 Å²	21.7	1%	0.006	11%	0.109	C	C	.	.	H	α-helix	trans	-58.7	-45.3	172.9	171.1	0	0	0	0	110.9	L772 F773 R779 I780 M862 L866 C938	L772-V776 WeakPolarHBondContact O-CG2 3.34Å; L772-V776 PolarHBondContact O-N 3.36Å; F773-V776 PolarHBondContact O-N 3.03Å; V776-R779 PolarHBondContact O-N 3.23Å; V776-I780 HydrophobicContact CG1-CD1 3.78Å; V776-I780 WeakPolarHBondContact O-CG1 3.31Å; V776-I780 PolarHBondContact O-N 2.99Å; V776-I780 VanDerWaalsContact O-N 3.11Å; V776-M862 HydrophobicContact CG2-CB 3.68Å; V776-M862 HydrophobicContact CG2-CG 3.85Å; V776-M862 HydrophobicContact CG2-SD 3.52Å; V776-M862 VanDerWaalsContact CG2-SD 3.52Å; V776-L866 HydrophobicContact CG2-CD1 4.13Å; V776-C938 WeakPolarHBondContact CG1-O 3.19Å
777	A	96.9	Very high	95.2	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-66.4	-43.8	-177.4	0	0	0	0	0	112.5	I749 F773 I774 V775 R779 I780 I781 P940	I749-A777 HydrophobicContact CD1-CB 4.01Å; I749-A777 HydrophobicContact CG2-CB 4.27Å; F773-A777 WeakPolarHBondContact O-CB 3.38Å; F773-A777 PolarHBondContact O-N 3.14Å; I774-A777 PolarHBondContact O-N 3.33Å; V775-A777 VanDerWaalsContact C-N 3.33Å; V775-A777 PolarHBondContact O-N 3.42Å; A777-R779 PolarHBondContact O-N 3.19Å; A777-I780 PolarHBondContact O-N 2.76Å; A777-I781 HydrophobicContact CB-CD1 4.48Å; A777-I781 WeakPolarHBondContact O-CB 3.42Å; A777-I781 WeakPolarHBondContact O-CD1 3.33Å; A777-I781 VanDerWaalsContact O-CG1 3.26Å; A777-I781 WeakPolarHBondContact O-CG1 3.48Å; A777-I781 PolarHBondContact O-N 3.28Å; A777-P940 HydrophobicContact CB-CB 4.33Å; A777-P940 HydrophobicContact CB-CG 4.06Å
778	I	97.6	Very high	95.7	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-56.7	-49	173.5	-71.3	167.3	0	0	0	110.4	I774 I780 I781 D782 W796 V804 I971 M973 L976	I774-I778 HydrophobicContact CG2-CD1 3.72Å; I774-I778 HydrophobicContact CG2-CG1 4.18Å; I774-I778 WeakPolarHBondContact O-CB 3.39Å; I774-I778 VanDerWaalsContact O-CG1 3.25Å; I774-I778 WeakPolarHBondContact O-CG1 3.42Å; I774-I778 PolarHBondContact O-N 2.64Å; I778-I780 PolarHBondContact O-N 3.12Å; I778-I781 PolarHBondContact O-N 3.34Å; I778-D782 WeakPolarHBondContact O-CB 3.47Å; I778-D782 PolarHBondContact O-N 3.26Å; I778-W796 HydrophobicContact CB-CH2 4.4Å; I778-W796 HydrophobicContact CB-CZ2 4.47Å; I778-W796 HydrophobicContact CB-CZ3 4.5Å; I778-W796 HydrophobicContact CD1-CE3 4.42Å; I778-W796 HydrophobicContact CG1-CD2 4.19Å; I778-W796 HydrophobicContact CG1-CE3 3.77Å; I778-W796 HydrophobicContact CG1-CH2 4.07Å; I778-W796 HydrophobicContact CG1-CZ2 4.49Å; I778-W796 HydrophobicContact CG1-CZ3 3.71Å; I778-W796 HydrophobicContact CG2-CD2 4.16Å; I778-W796 HydrophobicContact CG2-CZ2 4.22Å; I778-V804 HydrophobicContact CD1-CG1 4.26Å; I778-V804 HydrophobicContact CD1-CG2 4.12Å; I778-V804 HydrophobicContact CG1-CG2 4.03Å; I778-I971 HydrophobicContact CD1-CD1 4.17Å; I778-M973 HydrophobicContact CG2-CE 3.53Å; I778-M973 HydrophobicContact CG2-SD 3.83Å; I778-L976 HydrophobicContact CB-CD1 4.46Å; I778-L976 HydrophobicContact CB-CD2 4.12Å; I778-L976 HydrophobicContact CD1-CD1 3.74Å; I778-L976 HydrophobicContact CG2-CD1 4.01Å; I778-L976 HydrophobicContact CG2-CD2 3.62Å; I778-L976 HydrophobicContact CG2-CG 4.49Å
779	R	96	Very high	96.1	Very high	67 Å²	67	25.9 Å²	25.9	25%	0.253	12%	0.123	S	C	.	.	H	α-helix	trans	-56.9	-49.7	-180	-74	175	178.3	-143.1	1.1	111.8	V775 V776 A777 E783 E861 L976 D977	V775-R779 WeakPolarHBondContact O-CG 3.28Å; V775-R779 PolarHBondContact O-N 3.19Å; V775-R779 VanDerWaalsContact O-N 3.07Å; V776-R779 PolarHBondContact O-N 3.23Å; A777-R779 PolarHBondContact O-N 3.19Å; R779-E783 WeakPolarHBondContact O-CB 3.4Å; R779-E783 PolarHBondContact O-N 2.82Å; R779-E783 VanDerWaalsContact O-N 3.08Å; R779-E861 IonicContact NH1-OE2 2.82Å; R779-L976 HydrophobicContact CG-CD2 3.94Å; R779-D977 IonicContact CZ-OD1 2.72Å; R779-D977 IonicContact NE-OD1 2.68Å; R779-D977 IonicContact NH2-OD1 2.67Å; R779-D977 PolarHBondContact NH2-OD1 3.02Å; R779-D977 IonicContact NH2-OD2 3.34Å; R779-D977 PolarHBondContact NH2-OD2 2.95Å
780	I	96.6	Very high	96.3	Very high	1 Å²	1	22.8 Å²	22.8	1%	0.005	12%	0.12	C	C	.	.	H	α-helix	trans	-65.1	-45.6	-178.2	-70.1	166.7	0	0	0	111.2	V776 A777 I778 T784 Y851 A855 R858 C859 Y939 P940	V776-I780 HydrophobicContact CG1-CD1 3.78Å; V776-I780 WeakPolarHBondContact O-CG1 3.31Å; V776-I780 PolarHBondContact O-N 2.99Å; V776-I780 VanDerWaalsContact O-N 3.11Å; A777-I780 PolarHBondContact O-N 2.76Å; I778-I780 PolarHBondContact O-N 3.12Å; I780-T784 VanDerWaalsContact O-CB 3.24Å; I780-T784 WeakPolarHBondContact O-CB 3.46Å; I780-T784 PolarHBondContact O-N 2.95Å; I780-T784 VanDerWaalsContact O-N 3.11Å; I780-T784 PolarHBondContact O-OG1 3.13Å; I780-Y851 HydrophobicContact CG2-CE2 4.37Å; I780-A855 HydrophobicContact CD1-CB 4.45Å; I780-A855 HydrophobicContact CG2-CB 4.04Å; I780-R858 HydrophobicContact CD1-CB 4.18Å; I780-R858 HydrophobicContact CG1-CB 3.67Å; I780-R858 HydrophobicContact CG1-CG 4.3Å; I780-C859 WeakPolarHBondContact CD1-SG 3.27Å; I780-Y939 HydrophobicContact CG2-CE2 4.31Å; I780-P940 HydrophobicContact CB-CG 4.08Å; I780-P940 HydrophobicContact CD1-CG 4.42Å; I780-P940 HydrophobicContact CG2-CG 3.92Å
781	I	97	Very high	96.5	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-70.6	-45.2	-177	-67.3	162.3	0	0	0	110.7	I749 A777 I778 T784 L785 W796 M828 P940 L942	I749-I781 HydrophobicContact CD1-CD1 3.32Å; I749-I781 HydrophobicContact CG1-CD1 4.18Å; A777-I781 HydrophobicContact CB-CD1 4.48Å; A777-I781 WeakPolarHBondContact O-CB 3.42Å; A777-I781 WeakPolarHBondContact O-CD1 3.33Å; A777-I781 VanDerWaalsContact O-CG1 3.26Å; A777-I781 WeakPolarHBondContact O-CG1 3.48Å; A777-I781 PolarHBondContact O-N 3.28Å; I778-I781 PolarHBondContact O-N 3.34Å; I781-T784 PolarHBondContact O-N 2.97Å; I781-L785 HydrophobicContact CG2-CD1 3.7Å; I781-L785 HydrophobicContact CG2-CG 4.26Å; I781-L785 WeakPolarHBondContact O-CB 3.32Å; I781-L785 VanDerWaalsContact O-CG 3.23Å; I781-L785 WeakPolarHBondContact O-CG 3.42Å; I781-L785 PolarHBondContact O-N 3.45Å; I781-W796 HydrophobicContact CB-CH2 3.82Å; I781-W796 HydrophobicContact CB-CZ2 3.94Å; I781-W796 HydrophobicContact CD1-CH2 4.16Å; I781-W796 HydrophobicContact CG2-CH2 3.59Å; I781-W796 HydrophobicContact CG2-CZ2 3.65Å; I781-M828 HydrophobicContact CB-CE 4Å; I781-M828 HydrophobicContact CG1-CE 3.95Å; I781-M828 HydrophobicContact CG2-CE 3.73Å; I781-P940 HydrophobicContact CD1-CB 4.07Å; I781-P940 HydrophobicContact CD1-CG 4.14Å; I781-P940 HydrophobicContact CG1-CB 4.37Å; I781-P940 HydrophobicContact CG1-CG 4.06Å; I781-L942 HydrophobicContact CD1-CD2 3.65Å
782	D	97.6	Very high	96.5	Very high	19 Å²	19	29.3 Å²	29.3	10%	0.102	15%	0.15	C	C	.	.	H	α-helix	trans	-66.3	-43.3	-178.2	-161.2	75.4	0	0	0	112.3	I778 T784 L785 S786 R794 W796 M973	I778-D782 WeakPolarHBondContact O-CB 3.47Å; I778-D782 PolarHBondContact O-N 3.26Å; D782-T784 VanDerWaalsContact C-N 3.29Å; D782-T784 PolarHBondContact O-N 3.29Å; D782-L785 PolarHBondContact O-N 3.43Å; D782-S786 VanDerWaalsContact O-CB 3.31Å; D782-S786 WeakPolarHBondContact O-CB 3.29Å; D782-S786 PolarHBondContact O-N 3.21Å; D782-R794 WeakPolarHBondContact OD1-CD 3.26Å; D782-R794 IonicContact OD1-CZ 3.34Å; D782-R794 IonicContact OD1-NE 3.76Å; D782-R794 PolarHBondContact OD1-NE 3.06Å; D782-R794 IonicContact OD1-NH2 3.11Å; D782-R794 IonicContact OD2-CZ 3.69Å; D782-R794 IonicContact OD2-NE 3.99Å; D782-R794 PolarHBondContact OD2-NE 3.08Å; D782-R794 IonicContact OD2-NH2 2.72Å; D782-R794 PolarHBondContact OD2-NH2 2.97Å; D782-W796 HydrophobicContact CB-CZ2 4.15Å; D782-W796 PolarHBondContact OD1-NE1 3.12Å; D782-M973 HydrophobicContact CB-CE 3.76Å; D782-M973 VanDerWaalsContact CG-CE 3.47Å
783	E	96.3	Very high	96.6	Very high	39 Å²	39	28.7 Å²	28.7	18%	0.182	15%	0.147	C	C	.	.	H	α-helix	trans	-59.4	-40.6	172.6	-179.6	174.2	-147.5	0	0	111.1	R779 S786 E787 R858	R779-E783 WeakPolarHBondContact O-CB 3.4Å; R779-E783 PolarHBondContact O-N 2.82Å; R779-E783 VanDerWaalsContact O-N 3.08Å; E783-S786 PolarHBondContact O-N 3.03Å; E783-E787 HydrophobicContact CG-CG 4.02Å; E783-E787 VanDerWaalsContact O-CB 3.31Å; E783-E787 WeakPolarHBondContact O-CB 3.49Å; E783-E787 WeakPolarHBondContact O-CG 3.42Å; E783-E787 PolarHBondContact O-N 2.99Å; E783-R858 IonicContact OE1-CZ 3.15Å; E783-R858 IonicContact OE1-NE 3.17Å; E783-R858 PolarHBondContact OE1-NE 2.89Å; E783-R858 IonicContact OE1-NH2 3.64Å; E783-R858 PolarHBondContact OE1-NH2 3.28Å; E783-R858 WeakPolarHBondContact OE2-CG 3.07Å; E783-R858 IonicContact OE2-CZ 2.61Å; E783-R858 IonicContact OE2-NE 2.81Å; E783-R858 PolarHBondContact OE2-NE 3.44Å; E783-R858 IonicContact OE2-NH2 2.7Å
784	T	97	Very high	96.6	Very high	1 Å²	1	31.2 Å²	31.2	1%	0.006	16%	0.156	C	C	.	.	H	α-helix	trans	-71	-41.9	-179.3	-60.8	0	0	0	0	112.4	I780 I781 D782 S786 D788 F789 Y827 M828 Y851 R854	I780-T784 VanDerWaalsContact O-CB 3.24Å; I780-T784 WeakPolarHBondContact O-CB 3.46Å; I780-T784 PolarHBondContact O-N 2.95Å; I780-T784 VanDerWaalsContact O-N 3.11Å; I780-T784 PolarHBondContact O-OG1 3.13Å; I781-T784 PolarHBondContact O-N 2.97Å; D782-T784 VanDerWaalsContact C-N 3.29Å; D782-T784 PolarHBondContact O-N 3.29Å; T784-S786 VanDerWaalsContact C-N 3.27Å; T784-S786 PolarHBondContact O-N 2.87Å; T784-D788 HydrophobicContact CG2-CB 4.43Å; T784-D788 WeakPolarHBondContact O-CB 3.39Å; T784-D788 PolarHBondContact O-N 3.13Å; T784-D788 VanDerWaalsContact O-N 3.08Å; T784-F789 HydrophobicContact CG2-CD2 4.29Å; T784-F789 HydrophobicContact CG2-CE2 4.02Å; T784-F789 WeakPolarHBondContact O-CD2 3.45Å; T784-F789 PolarHBondContact O-N 2.96Å; T784-Y827 HydrophobicContact CG2-CD1 4.49Å; T784-Y827 HydrophobicContact CG2-CE1 4.12Å; T784-M828 HydrophobicContact CG2-CE 3.73Å; T784-M828 HydrophobicContact CG2-CG 4.15Å; T784-M828 HydrophobicContact CG2-SD 4.09Å; T784-Y851 HydrophobicContact CG2-CD2 4.01Å; T784-Y851 HydrophobicContact CG2-CE2 3.66Å; T784-Y851 WeakPolarHBondContact OG1-CE2 3.33Å; T784-R854 PolarHBondContact OG1-NH2 2.9Å
785	L	97.7	Very high	96.7	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-63.2	-35.7	173.6	-68.3	170	0	0	0	111.5	L745 F747 I781 D782 F789 G790 F791 V808 M828	L745-L785 HydrophobicContact CD2-CD2 4.49Å; F747-L785 HydrophobicContact CD2-CD1 4.23Å; F747-L785 HydrophobicContact CE2-CD1 3.86Å; F747-L785 HydrophobicContact CE2-CD2 3.68Å; F747-L785 HydrophobicContact CE2-CG 4.34Å; F747-L785 HydrophobicContact CZ-CD2 3.81Å; I781-L785 HydrophobicContact CG2-CD1 3.7Å; I781-L785 HydrophobicContact CG2-CG 4.26Å; I781-L785 WeakPolarHBondContact O-CB 3.32Å; I781-L785 VanDerWaalsContact O-CG 3.23Å; I781-L785 WeakPolarHBondContact O-CG 3.42Å; I781-L785 PolarHBondContact O-N 3.45Å; D782-L785 PolarHBondContact O-N 3.43Å; L785-F789 HydrophobicContact CD2-CD2 4.4Å; L785-G790 PolarHBondContact O-N 2.93Å; L785-F791 HydrophobicContact CB-CD2 4.28Å; L785-F791 HydrophobicContact CD2-CD2 3.76Å; L785-F791 HydrophobicContact CD2-CE2 4.09Å; L785-F791 WeakPolarHBondContact O-CB 3.45Å; L785-F791 PolarHBondContact O-N 2.91Å; L785-V808 HydrophobicContact CD1-CG2 3.74Å; L785-V808 HydrophobicContact CD2-CG2 4.2Å; L785-M828 HydrophobicContact CD2-SD 4.32Å; L785-M828 HydrophobicContact CG-CE 4.43Å
786	S	96.4	Very high	96.8	Very high	38 Å²	38	31.2 Å²	31.2	27%	0.266	16%	0.156	S	C	.	.	H	α-helix	trans	-76.2	-54.7	178.1	-158.6	0	0	0	0	112.9	D782 E783 T784 G790 R794	D782-S786 VanDerWaalsContact O-CB 3.31Å; D782-S786 WeakPolarHBondContact O-CB 3.29Å; D782-S786 PolarHBondContact O-N 3.21Å; E783-S786 PolarHBondContact O-N 3.03Å; T784-S786 VanDerWaalsContact C-N 3.27Å; T784-S786 PolarHBondContact O-N 2.87Å; S786-G790 WeakPolarHBondContact O-CA 3.5Å; S786-G790 PolarHBondContact O-N 3.01Å; S786-G790 VanDerWaalsContact O-N 3.11Å; S786-R794 PolarHBondContact OG-NH1 2.84Å; S786-R794 VanDerWaalsContact OG-NH1 3.11Å
787	E	96	Very high	96.9	Very high	134 Å²	134	31.1 Å²	31.1	63%	0.626	16%	0.156	S	C	*	.	H	α-helix	trans	-85.1	-45	-169.1	-59.5	-60.1	138	0	0	113.1	E783	E783-E787 HydrophobicContact CG-CG 4.02Å; E783-E787 VanDerWaalsContact O-CB 3.31Å; E783-E787 WeakPolarHBondContact O-CB 3.49Å; E783-E787 WeakPolarHBondContact O-CG 3.42Å; E783-E787 PolarHBondContact O-N 2.99Å
788	D	96.4	Very high	97	Very high	57 Å²	57	31.2 Å²	31.2	31%	0.305	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.2	-39.4	-175.6	-61.2	-16.5	0	0	0	111.6	T784 Y827 R854	T784-D788 HydrophobicContact CG2-CB 4.43Å; T784-D788 WeakPolarHBondContact O-CB 3.39Å; T784-D788 PolarHBondContact O-N 3.13Å; T784-D788 VanDerWaalsContact O-N 3.08Å; D788-Y827 PolarHBondContact OD2-OH 3.02Å; D788-R854 IonicContact OD1-CZ 3.53Å; D788-R854 IonicContact OD1-NH1 2.76Å; D788-R854 PolarHBondContact OD1-NH1 3.13Å; D788-R854 IonicContact OD1-NH2 2.92Å; D788-R854 PolarHBondContact OD1-NH2 2.89Å; D788-R854 VanDerWaalsContact OD1-NH2 3.11Å; D788-R854 IonicContact OD2-CZ 3.94Å; D788-R854 IonicContact OD2-NH1 3.34Å; D788-R854 IonicContact OD2-NH2 3.03Å; D788-R854 PolarHBondContact OD2-NH2 2.73Å
789	F	96.9	Very high	96.9	Very high	48 Å²	48	31.7 Å²	31.7	21%	0.211	16%	0.159	C	C	.	.	S	Bend	trans	-98	-21.5	-178.3	-64.7	-72.4	0	0	0	113.7	T784 L785 F791 R812 I824 Y827 M828	T784-F789 HydrophobicContact CG2-CD2 4.29Å; T784-F789 HydrophobicContact CG2-CE2 4.02Å; T784-F789 WeakPolarHBondContact O-CD2 3.45Å; T784-F789 PolarHBondContact O-N 2.96Å; L785-F789 HydrophobicContact CD2-CD2 4.4Å; F789-F791 HydrophobicContact CB-CD2 3.48Å; F789-F791 VanDerWaalsContact CB-CD2 3.48Å; F789-F791 HydrophobicContact CB-CE2 3.41Å; F789-F791 VanDerWaalsContact CB-CE2 3.41Å; F789-F791 HydrophobicContact CB-CG 4.23Å; F789-F791 HydrophobicContact CB-CZ 4.08Å; F789-F791 HydrophobicContact CD1-CE2 4.4Å; F789-F791 HydrophobicContact CG-CD2 4.31Å; F789-F791 AromaticContact CG-CE2 3.88Å; F789-F791 HydrophobicContact CG-CE2 3.88Å; F789-R812 VanDerWaalsContact O-CZ 3.26Å; F789-R812 PolarHBondContact O-NH1 3.2Å; F789-R812 PolarHBondContact O-NH2 2.99Å; F789-I824 HydrophobicContact CD1-CD1 4.46Å; F789-I824 HydrophobicContact CD1-CG1 4.36Å; F789-I824 HydrophobicContact CE1-CD1 4.32Å; F789-I824 HydrophobicContact CE1-CG1 3.74Å; F789-I824 HydrophobicContact CE1-CG2 4.41Å; F789-I824 HydrophobicContact CE2-CG2 4.04Å; F789-I824 HydrophobicContact CZ-CB 4.3Å; F789-I824 HydrophobicContact CZ-CG1 3.99Å; F789-I824 HydrophobicContact CZ-CG2 3.9Å; F789-Y827 HydrophobicContact CE2-CD1 4.02Å; F789-Y827 HydrophobicContact CE2-CE1 4.28Å; F789-Y827 AromaticContact CZ-CD1 3.88Å; F789-Y827 HydrophobicContact CZ-CD1 3.88Å; F789-Y827 HydrophobicContact CZ-CE1 4.32Å; F789-Y827 HydrophobicContact CZ-CG 4.09Å; F789-M828 HydrophobicContact CE2-CG 4.42Å; F789-M828 HydrophobicContact CE2-SD 4.07Å
790	G	96	Very high	96.7	Very high	34 Å²	34	28.5 Å²	28.5	35%	0.351	15%	0.147	S	C	.	.			trans	80.1	12.8	-179.8	0	0	0	0	0	115.5	L785 S786 E792 R812	L785-G790 PolarHBondContact O-N 2.93Å; S786-G790 WeakPolarHBondContact O-CA 3.5Å; S786-G790 PolarHBondContact O-N 3.01Å; S786-G790 VanDerWaalsContact O-N 3.11Å; G790-E792 PolarHBondContact O-N 3.08Å; G790-R812 VanDerWaalsContact CA-NH2 3.34Å; G790-R812 PolarHBondContact O-NH2 2.64Å
791	F	97	Very high	96.3	Very high	7 Å²	7	32.2 Å²	32.2	3%	0.031	16%	0.161	C	C	.	.			trans	-76	123.5	-171.9	-64	-53.3	0	0	0	111.1	L745 L785 F789 R794 V808 D810 R812 A813 L816 I824	L745-F791 HydrophobicContact CD2-CE2 3.92Å; L745-F791 HydrophobicContact CD2-CZ 4.32Å; L785-F791 HydrophobicContact CB-CD2 4.28Å; L785-F791 HydrophobicContact CD2-CD2 3.76Å; L785-F791 HydrophobicContact CD2-CE2 4.09Å; L785-F791 WeakPolarHBondContact O-CB 3.45Å; L785-F791 PolarHBondContact O-N 2.91Å; F789-F791 HydrophobicContact CB-CD2 3.48Å; F789-F791 VanDerWaalsContact CB-CD2 3.48Å; F789-F791 HydrophobicContact CB-CE2 3.41Å; F789-F791 VanDerWaalsContact CB-CE2 3.41Å; F789-F791 HydrophobicContact CB-CG 4.23Å; F789-F791 HydrophobicContact CB-CZ 4.08Å; F789-F791 HydrophobicContact CD1-CE2 4.4Å; F789-F791 HydrophobicContact CG-CD2 4.31Å; F789-F791 AromaticContact CG-CE2 3.88Å; F789-F791 HydrophobicContact CG-CE2 3.88Å; F791-R794 WeakPolarHBondContact O-CD 3.42Å; F791-R794 PolarHBondContact O-NH1 3.2Å; F791-V808 HydrophobicContact CB-CG1 3.64Å; F791-V808 HydrophobicContact CD1-CG1 4.08Å; F791-V808 HydrophobicContact CD2-CG1 3.88Å; F791-V808 HydrophobicContact CG-CG1 3.62Å; F791-D810 VanDerWaalsContact CA-OD1 3.28Å; F791-D810 WeakPolarHBondContact CA-OD1 3.13Å; F791-D810 HydrophobicContact CD1-CB 4.07Å; F791-R812 HydrophobicContact CE1-CG 4.21Å; F791-A813 HydrophobicContact CD1-CB 4.01Å; F791-A813 HydrophobicContact CE1-CB 3.7Å; F791-A813 HydrophobicContact CZ-CB 4.16Å; F791-L816 HydrophobicContact CZ-CD1 4.35Å; F791-I824 HydrophobicContact CE2-CD1 4.44Å; F791-I824 HydrophobicContact CZ-CD1 4.36Å
792	E	95.3	Very high	96.1	Very high	141 Å²	141	34.5 Å²	34.5	66%	0.659	17%	0.17	S	C	*	.			trans	-92.1	-28.3	-172.4	-64.5	-176.1	-171.2	0	0	113.8	G790 D810	G790-E792 PolarHBondContact O-N 3.08Å; E792-D810 PolarHBondContact N-OD1 2.92Å; E792-D810 PolarHBondContact N-OD2 3Å
793	H	96.6	Very high	95.9	Very high	8 Å²	8	33.6 Å²	33.6	4%	0.037	17%	0.165	C	C	.	.			trans	-110	73.6	-166.1	-59.2	-28.5	0	0	0	111.6	C809 D810 F1034 M1038 I1041	H793-C809 HydrophobicContact CB-CB 3.99Å; H793-C809 WeakPolarHBondContact O-CB 3.2Å; H793-C809 PolarHBondContact O-N 3.39Å; H793-D810 WeakPolarHBondContact CB-OD2 3.43Å; H793-D810 PolarHBondContact N-OD2 3.25Å; H793-F1034 HydrophobicContact CB-CE2 4.24Å; H793-F1034 HydrophobicContact CB-CZ 4.38Å; H793-M1038 HydrophobicContact CB-CG 3.96Å; H793-M1038 HydrophobicContact CB-SD 4.25Å; H793-I1041 VanDerWaalsContact CD2-CD1 3.42Å; H793-I1041 WeakPolarHBondContact CD2-CD1 3.15Å; H793-I1041 WeakPolarHBondContact NE2-CD1 3.47Å
794	R	97.5	Very high	96	Very high	53 Å²	53	31.7 Å²	31.7	20%	0.2	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	120.9	-175	-49.4	174.9	-53.8	-94.9	9.7	110.5	D782 S786 F791	D782-R794 WeakPolarHBondContact OD1-CD 3.26Å; D782-R794 IonicContact OD1-CZ 3.34Å; D782-R794 IonicContact OD1-NE 3.76Å; D782-R794 PolarHBondContact OD1-NE 3.06Å; D782-R794 IonicContact OD1-NH2 3.11Å; D782-R794 IonicContact OD2-CZ 3.69Å; D782-R794 IonicContact OD2-NE 3.99Å; D782-R794 PolarHBondContact OD2-NE 3.08Å; D782-R794 IonicContact OD2-NH2 2.72Å; D782-R794 PolarHBondContact OD2-NH2 2.97Å; S786-R794 PolarHBondContact OG-NH1 2.84Å; S786-R794 VanDerWaalsContact OG-NH1 3.11Å; F791-R794 WeakPolarHBondContact O-CD 3.42Å; F791-R794 PolarHBondContact O-NH1 3.2Å
795	L	97.9	Very high	96	Very high	6 Å²	6	32 Å²	32	3%	0.031	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	112	179.8	172.6	67.4	0	0	0	110.8	W672 I797 C806 W807 P957 P970 F1031 F1034	W672-L795 HydrophobicContact CH2-CD2 4.33Å; W672-L795 HydrophobicContact CZ2-CD2 3.93Å; L795-I797 HydrophobicContact CD1-CD1 3.83Å; L795-I797 HydrophobicContact CD2-CD1 3.96Å; L795-I797 HydrophobicContact CD2-CG1 4.43Å; L795-I797 HydrophobicContact CG-CD1 3.7Å; L795-I797 HydrophobicContact CG-CG1 4.12Å; L795-C806 CarbonylContact O-C 3.54Å; L795-W807 HydrophobicContact CB-CB 4.25Å; L795-W807 PolarHBondContact N-O 3.49Å; L795-W807 PolarHBondContact O-N 3.04Å; L795-P957 HydrophobicContact CD2-CG 4.37Å; L795-P970 HydrophobicContact CD1-CB 4.14Å; L795-F1031 HydrophobicContact CD1-CD2 4.26Å; L795-F1031 HydrophobicContact CD2-CD2 4.05Å; L795-F1031 HydrophobicContact CD2-CE2 3.68Å; L795-F1034 HydrophobicContact CB-CD1 4.07Å; L795-F1034 HydrophobicContact CB-CD2 4.22Å; L795-F1034 HydrophobicContact CB-CE1 3.67Å; L795-F1034 HydrophobicContact CB-CE2 3.85Å; L795-F1034 HydrophobicContact CB-CG 4.33Å; L795-F1034 HydrophobicContact CB-CZ 3.57Å; L795-F1034 HydrophobicContact CD1-CB 4.49Å; L795-F1034 HydrophobicContact CD1-CD1 4Å; L795-F1034 HydrophobicContact CD1-CE1 4.44Å; L795-F1034 HydrophobicContact CD1-CG 4.09Å; L795-F1034 HydrophobicContact CD2-CD1 3.99Å; L795-F1034 HydrophobicContact CD2-CE1 3.82Å; L795-F1034 HydrophobicContact CG-CD1 4.25Å; L795-F1034 HydrophobicContact CG-CE1 4.19Å
796	W	98.4	Very high	96.1	Very high	1 Å²	1	32 Å²	32	0%	0.004	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	130.4	175.6	-70.6	92.3	0	0	0	111.6	I749 I778 I781 D782 V804 H805 C806 P970 I971 M973	I749-W796 HydrophobicContact CD1-CH2 4.03Å; I749-W796 HydrophobicContact CD1-CZ3 3.82Å; I778-W796 HydrophobicContact CB-CH2 4.4Å; I778-W796 HydrophobicContact CB-CZ2 4.47Å; I778-W796 HydrophobicContact CB-CZ3 4.5Å; I778-W796 HydrophobicContact CD1-CE3 4.42Å; I778-W796 HydrophobicContact CG1-CD2 4.19Å; I778-W796 HydrophobicContact CG1-CE3 3.77Å; I778-W796 HydrophobicContact CG1-CH2 4.07Å; I778-W796 HydrophobicContact CG1-CZ2 4.49Å; I778-W796 HydrophobicContact CG1-CZ3 3.71Å; I778-W796 HydrophobicContact CG2-CD2 4.16Å; I778-W796 HydrophobicContact CG2-CZ2 4.22Å; I781-W796 HydrophobicContact CB-CH2 3.82Å; I781-W796 HydrophobicContact CB-CZ2 3.94Å; I781-W796 HydrophobicContact CD1-CH2 4.16Å; I781-W796 HydrophobicContact CG2-CH2 3.59Å; I781-W796 HydrophobicContact CG2-CZ2 3.65Å; D782-W796 HydrophobicContact CB-CZ2 4.15Å; D782-W796 PolarHBondContact OD1-NE1 3.12Å; W796-V804 HydrophobicContact CE3-CB 4.37Å; W796-V804 HydrophobicContact CE3-CG2 4.03Å; W796-V804 HydrophobicContact CZ3-CG2 3.87Å; W796-H805 WeakPolarHBondContact CA-O 3.43Å; W796-C806 HydrophobicContact CD2-CB 3.84Å; W796-C806 VanDerWaalsContact CE2-SG 3.57Å; W796-C806 HydrophobicContact CE3-CB 3.7Å; W796-C806 HydrophobicContact CH2-CB 3.78Å; W796-C806 HydrophobicContact CZ2-CB 3.88Å; W796-C806 HydrophobicContact CZ3-CB 3.67Å; W796-P970 CarbonylContact O-C 3.54Å; W796-P970 WeakPolarHBondContact O-CA 3.17Å; W796-I971 HydrophobicContact CB-CB 4.25Å; W796-I971 PolarHBondContact O-N 3.47Å; W796-M973 HydrophobicContact CB-SD 4.13Å; W796-M973 HydrophobicContact CG-SD 3.85Å
797	I	98.3	Very high	96.2	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	132.5	-175.6	-56.6	-60.8	0	0	0	109.4	L795 V804 H805 P957 C968 P970	L795-I797 HydrophobicContact CD1-CD1 3.83Å; L795-I797 HydrophobicContact CD2-CD1 3.96Å; L795-I797 HydrophobicContact CD2-CG1 4.43Å; L795-I797 HydrophobicContact CG-CD1 3.7Å; L795-I797 HydrophobicContact CG-CG1 4.12Å; I797-V804 CarbonylContact O-C 3.55Å; I797-V804 VanDerWaalsContact O-CA 3.23Å; I797-V804 WeakPolarHBondContact O-CA 3.42Å; I797-V804 WeakPolarHBondContact O-CB 3.44Å; I797-H805 HydrophobicContact CB-CB 4.5Å; I797-H805 PolarHBondContact N-O 2.9Å; I797-H805 PolarHBondContact O-N 2.79Å; I797-P957 HydrophobicContact CD1-CB 3.86Å; I797-P957 HydrophobicContact CD1-CG 3.76Å; I797-P957 HydrophobicContact CG1-CB 4.44Å; I797-P957 HydrophobicContact CG1-CG 4.02Å; I797-C968 HydrophobicContact CG2-CB 4.21Å; I797-P970 HydrophobicContact CD1-CB 3.97Å; I797-P970 HydrophobicContact CD1-CG 3.81Å
798	Y	97.9	Very high	96.3	Very high	1 Å²	1	23.8 Å²	23.8	0%	0.004	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	129.1	167.3	171.9	-121.7	0	0	0	110.7	M766 W771 G800 R801 K966 C968 V969 F979 P981 V984	M766-Y798 HydrophobicContact CE-CE2 4.34Å; W771-Y798 AromaticContact CH2-CD2 3.91Å; W771-Y798 HydrophobicContact CH2-CD2 3.91Å; W771-Y798 HydrophobicContact CH2-CE2 4.32Å; W771-Y798 HydrophobicContact CZ3-CD2 4.31Å; W771-Y798 HydrophobicContact CZ3-CE2 4.31Å; Y798-G800 PolarHBondContact O-N 3.47Å; Y798-R801 VanDerWaalsContact OH-C 3.24Å; Y798-R801 WeakPolarHBondContact OH-CA 3.49Å; Y798-R801 PolarHBondContact OH-N 2.97Å; Y798-R801 PolarHBondContact OH-O 3.13Å; Y798-K966 HydrophobicContact CE1-CB 4.35Å; Y798-K966 HydrophobicContact CE1-CD 4.02Å; Y798-C968 CarbonylContact O-C 3.52Å; Y798-C968 WeakPolarHBondContact O-CA 3.44Å; Y798-C968 WeakPolarHBondContact O-CB 3.4Å; Y798-V969 HydrophobicContact CD1-CG2 4.47Å; Y798-V969 PolarHBondContact N-O 3.02Å; Y798-F979 HydrophobicContact CD1-CZ 4.38Å; Y798-F979 HydrophobicContact CD2-CE1 4.32Å; Y798-F979 HydrophobicContact CG-CE1 4.19Å; Y798-F979 HydrophobicContact CG-CZ 4Å; Y798-P981 HydrophobicContact CE2-CB 3.94Å; Y798-P981 HydrophobicContact CE2-CG 4.42Å; Y798-V984 HydrophobicContact CD1-CB 4.3Å; Y798-V984 HydrophobicContact CD1-CG1 3.98Å; Y798-V984 HydrophobicContact CD1-CG2 3.85Å; Y798-V984 HydrophobicContact CE1-CB 4.1Å; Y798-V984 HydrophobicContact CE1-CG1 4.03Å; Y798-V984 HydrophobicContact CE1-CG2 3.93Å
799	S	95.3	Very high	96.3	Very high	10 Å²	10	21.1 Å²	21.1	7%	0.07	10%	0.1	C	C	.	.			trans	-61.5	-10.3	-178.9	62.3	0	0	0	0	115.4	R801 R802 G803 H805 K955 C968	S799-R801 PolarHBondContact OG-N 3.3Å; S799-R802 PolarHBondContact OG-N 2.95Å; S799-G803 WeakPolarHBondContact CB-O 3.46Å; S799-G803 PolarHBondContact N-O 3.35Å; S799-G803 VanDerWaalsContact OG-C 3.24Å; S799-G803 WeakPolarHBondContact OG-CA 3.24Å; S799-G803 PolarHBondContact OG-N 3.2Å; S799-G803 PolarHBondContact OG-O 3.38Å; S799-H805 WeakPolarHBondContact CB-NE2 3.34Å; S799-K955 PolarHBondContact O-NZ 2.87Å; S799-C968 PolarHBondContact O-SG 3.37Å; S799-C968 VanDerWaalsContact O-SG 3.34Å
800	G	91.8	Very high	96.3	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	9%	0.093	C	C	.	.	S	Bend	trans	86.6	-2.8	-172.9	0	0	0	0	0	114.7	Y798 T964 K966	Y798-G800 PolarHBondContact O-N 3.47Å; G800-T964 PolarHBondContact O-OG1 3.34Å; G800-K966 WeakPolarHBondContact O-CB 3.34Å
801	R	89.8	Confident	96.2	Very high	80 Å²	80	21.5 Å²	21.5	30%	0.302	9%	0.094	S	C	.	.	S	Bend	trans	-137.2	-71.9	174.3	-175.6	-178.6	-172.5	174.6	13	113.5	G764 M766 Y798 S799 H961 T964	G764-R801 PolarHBondContact O-NE 3.42Å; G764-R801 VanDerWaalsContact O-NE 3.08Å; G764-R801 PolarHBondContact O-NH2 3.39Å; M766-R801 VanDerWaalsContact CE-O 3.31Å; M766-R801 WeakPolarHBondContact CE-O 3.47Å; Y798-R801 VanDerWaalsContact OH-C 3.24Å; Y798-R801 WeakPolarHBondContact OH-CA 3.49Å; Y798-R801 PolarHBondContact OH-N 2.97Å; Y798-R801 PolarHBondContact OH-O 3.13Å; S799-R801 PolarHBondContact OG-N 3.3Å; R801-H961 WeakPolarHBondContact CB-NE2 3.48Å; R801-T964 HydrophobicContact CB-CG2 4.11Å; R801-T964 HydrophobicContact CG-CG2 3.94Å
802	R	91	Very high	96.1	Very high	47 Å²	47	27.2 Å²	27.2	18%	0.177	12%	0.115	C	C	.	.	S	Bend	trans	-139.9	-19.3	-164.1	63.4	-176.5	-179.4	170.2	16.9	115.7	D750 M751 T752 G763 M766 S799	D750-R802 WeakPolarHBondContact OD1-CD 3.25Å; D750-R802 VanDerWaalsContact OD1-CG 3.28Å; D750-R802 WeakPolarHBondContact OD1-CG 3.3Å; D750-R802 IonicContact OD1-CZ 3.47Å; D750-R802 VanDerWaalsContact OD1-CZ 3.23Å; D750-R802 IonicContact OD1-NE 2.66Å; D750-R802 PolarHBondContact OD1-NE 3.49Å; D750-R802 IonicContact OD1-NH2 3.74Å; D750-R802 PolarHBondContact OD1-NH2 3.43Å; D750-R802 IonicContact OD2-CZ 2.86Å; D750-R802 IonicContact OD2-NE 3.09Å; D750-R802 PolarHBondContact OD2-NE 3.25Å; D750-R802 IonicContact OD2-NH2 3.1Å; D750-R802 PolarHBondContact OD2-NH2 2.86Å; M751-R802 HydrophobicContact CB-CB 3.94Å; M751-R802 HydrophobicContact CB-CG 4.32Å; M751-R802 WeakPolarHBondContact CB-O 3.35Å; T752-R802 VanDerWaalsContact OG1-CZ 3.22Å; T752-R802 PolarHBondContact OG1-NH2 3.05Å; G763-R802 PolarHBondContact O-NH1 2.68Å; M766-R802 HydrophobicContact CB-CB 4.19Å; M766-R802 HydrophobicContact CE-CB 4.44Å; S799-R802 PolarHBondContact OG-N 2.95Å
803	G	94.6	Very high	96.2	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	8%	0.084	C	C	.	.			trans	-112	-173.3	176.3	0	0	0	0	0	114.5	I749 S799	I749-G803 CarbonylContact O-C 3.56Å; I749-G803 WeakPolarHBondContact O-CA 3.49Å; S799-G803 WeakPolarHBondContact CB-O 3.46Å; S799-G803 PolarHBondContact N-O 3.35Å; S799-G803 VanDerWaalsContact OG-C 3.24Å; S799-G803 WeakPolarHBondContact OG-CA 3.24Å; S799-G803 PolarHBondContact OG-N 3.2Å; S799-G803 PolarHBondContact OG-O 3.38Å
804	V	97.7	Very high	96.2	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	149.4	174.8	-66.9	0	0	0	0	111.2	I749 W771 I774 I778 W796 I797 I971	I749-V804 HydrophobicContact CB-CG2 4.13Å; I749-V804 HydrophobicContact CD1-CG2 3.97Å; I749-V804 HydrophobicContact CG1-CG2 4.39Å; I749-V804 PolarHBondContact N-O 3.45Å; I749-V804 PolarHBondContact O-N 3.35Å; W771-V804 HydrophobicContact CH2-CG1 3.58Å; W771-V804 HydrophobicContact CZ2-CG1 4.39Å; W771-V804 HydrophobicContact CZ3-CG1 4.31Å; I774-V804 HydrophobicContact CG2-CB 4.22Å; I774-V804 HydrophobicContact CG2-CG1 3.61Å; I774-V804 HydrophobicContact CG2-CG2 3.54Å; I778-V804 HydrophobicContact CD1-CG1 4.26Å; I778-V804 HydrophobicContact CD1-CG2 4.12Å; I778-V804 HydrophobicContact CG1-CG2 4.03Å; W796-V804 HydrophobicContact CE3-CB 4.37Å; W796-V804 HydrophobicContact CE3-CG2 4.03Å; W796-V804 HydrophobicContact CZ3-CG2 3.87Å; I797-V804 CarbonylContact O-C 3.55Å; I797-V804 VanDerWaalsContact O-CA 3.23Å; I797-V804 WeakPolarHBondContact O-CA 3.42Å; I797-V804 WeakPolarHBondContact O-CB 3.44Å; V804-I971 HydrophobicContact CG1-CD1 3.65Å
805	H	98.1	Very high	96.2	Very high	7 Å²	7	24.4 Å²	24.4	3%	0.032	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	133.5	174.4	-45.3	152	0	0	0	109.4	F747 D748 W796 I797 S799 L954 K955	F747-H805 CarbonylContact O-C 3.36Å; F747-H805 VanDerWaalsContact O-CA 3.26Å; F747-H805 WeakPolarHBondContact O-CA 3.4Å; D748-H805 IonicContact OD1-CD2 3.89Å; D748-H805 PolarHBondContact OD1-CD2 3.28Å; D748-H805 VanDerWaalsContact OD1-CD2 3.26Å; D748-H805 IonicContact OD1-NE2 2.7Å; D748-H805 IonicContact OD2-CD2 3.89Å; D748-H805 IonicContact OD2-NE2 2.73Å; W796-H805 WeakPolarHBondContact CA-O 3.43Å; I797-H805 HydrophobicContact CB-CB 4.5Å; I797-H805 PolarHBondContact N-O 2.9Å; I797-H805 PolarHBondContact O-N 2.79Å; S799-H805 WeakPolarHBondContact CB-NE2 3.34Å; H805-L954 HydrophobicContact CB-CD2 4.04Å; H805-K955 PolarHBondContact ND1-O 3.37Å
806	C	98.4	Very high	96.1	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	138.1	165.8	-169.1	0	0	0	0	109.8	V746 F747 L795 W796	V746-C806 WeakPolarHBondContact CA-O 3.46Å; F747-C806 HydrophobicContact CB-CB 4.11Å; F747-C806 HydrophobicContact CD2-CB 4.11Å; F747-C806 PolarHBondContact N-O 3.13Å; F747-C806 VanDerWaalsContact N-O 3.14Å; F747-C806 PolarHBondContact O-N 2.86Å; L795-C806 CarbonylContact O-C 3.54Å; W796-C806 HydrophobicContact CD2-CB 3.84Å; W796-C806 VanDerWaalsContact CE2-SG 3.57Å; W796-C806 HydrophobicContact CE3-CB 3.7Å; W796-C806 HydrophobicContact CH2-CB 3.78Å; W796-C806 HydrophobicContact CZ2-CB 3.88Å; W796-C806 HydrophobicContact CZ3-CB 3.67Å
807	W	98.4	Very high	95.9	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	105.3	173.1	-62.2	76.5	0	0	0	109.5	W672 I721 E744 V746 L795 C809 L954	W672-W807 AromaticContact CH2-CD2 3.82Å; W672-W807 HydrophobicContact CH2-CD2 3.82Å; W672-W807 AromaticContact CH2-CE3 3.84Å; W672-W807 HydrophobicContact CH2-CE3 3.84Å; W672-W807 HydrophobicContact CH2-CG 4.18Å; W672-W807 HydrophobicContact CH2-CZ3 4.34Å; W672-W807 HydrophobicContact CZ2-CB 4.05Å; W672-W807 AromaticContact CZ2-CD2 3.98Å; W672-W807 HydrophobicContact CZ2-CD2 3.98Å; W672-W807 AromaticContact CZ2-CE3 3.92Å; W672-W807 HydrophobicContact CZ2-CE3 3.92Å; W672-W807 HydrophobicContact CZ2-CG 4.05Å; I721-W807 HydrophobicContact CB-CH2 3.92Å; I721-W807 HydrophobicContact CB-CZ3 4.26Å; I721-W807 HydrophobicContact CD1-CH2 4.46Å; I721-W807 HydrophobicContact CG2-CH2 4.5Å; I721-W807 HydrophobicContact CG2-CZ3 4.35Å; E744-W807 HydrophobicContact CB-CE3 3.98Å; E744-W807 HydrophobicContact CG-CE3 4.3Å; V746-W807 HydrophobicContact CG1-CD2 3.81Å; V746-W807 HydrophobicContact CG1-CE3 3.58Å; V746-W807 HydrophobicContact CG1-CG 4.32Å; V746-W807 HydrophobicContact CG1-CH2 4.44Å; V746-W807 HydrophobicContact CG1-CZ3 3.92Å; L795-W807 HydrophobicContact CB-CB 4.25Å; L795-W807 PolarHBondContact N-O 3.49Å; L795-W807 PolarHBondContact O-N 3.04Å; W807-C809 PolarHBondContact O-SG 2.88Å; W807-C809 VanDerWaalsContact O-SG 3.36Å; W807-L954 HydrophobicContact CH2-CB 3.8Å; W807-L954 HydrophobicContact CH2-CD2 4.41Å; W807-L954 HydrophobicContact CH2-CG 4.28Å; W807-L954 HydrophobicContact CZ2-CB 3.82Å; W807-L954 HydrophobicContact CZ2-CD2 3.87Å; W807-L954 HydrophobicContact CZ2-CG 3.78Å
808	V	98.1	Very high	95.6	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	113.5	176.1	-172.3	0	0	0	0	108.8	E744 L745 F747 L785 F791 A813	E744-V808 WeakPolarHBondContact CA-O 3.22Å; E744-V808 WeakPolarHBondContact CB-O 3.48Å; L745-V808 HydrophobicContact CB-CB 4.12Å; L745-V808 PolarHBondContact N-O 3.37Å; L745-V808 WeakPolarHBondContact O-CB 2.96Å; L745-V808 PolarHBondContact O-N 2.94Å; F747-V808 HydrophobicContact CE2-CG2 4.13Å; L785-V808 HydrophobicContact CD1-CG2 3.74Å; L785-V808 HydrophobicContact CD2-CG2 4.2Å; F791-V808 HydrophobicContact CB-CG1 3.64Å; F791-V808 HydrophobicContact CD1-CG1 4.08Å; F791-V808 HydrophobicContact CD2-CG1 3.88Å; F791-V808 HydrophobicContact CG-CG1 3.62Å; V808-A813 HydrophobicContact CB-CB 4.32Å; V808-A813 HydrophobicContact CG1-CB 3.7Å
809	C	97.6	Very high	95.5	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	18%	0.177	C	C	.	.			trans	-106.4	-3.2	-162.8	-66.4	0	0	0	0	114.1	W672 Y675 H793 W807 R814 F1034 M1038	W672-C809 PolarHBondContact NE1-SG 2.93Å; Y675-C809 HydrophobicContact CE1-CB 4.1Å; Y675-C809 WeakPolarHBondContact CE1-O 3.39Å; Y675-C809 WeakPolarHBondContact OH-CB 3.45Å; Y675-C809 PolarHBondContact OH-SG 3.15Å; Y675-C809 VanDerWaalsContact OH-SG 3.4Å; H793-C809 HydrophobicContact CB-CB 3.99Å; H793-C809 WeakPolarHBondContact O-CB 3.2Å; H793-C809 PolarHBondContact O-N 3.39Å; W807-C809 PolarHBondContact O-SG 2.88Å; W807-C809 VanDerWaalsContact O-SG 3.36Å; C809-R814 PolarHBondContact O-NH1 3.13Å; C809-F1034 HydrophobicContact CB-CZ 3.93Å; C809-M1038 HydrophobicContact CB-SD 3.71Å
810	D	95.8	Very high	95.5	Very high	12 Å²	12	39.1 Å²	39.1	6%	0.064	19%	0.191	C	C	.	.			trans	-50.5	140.3	172.4	-62.7	-128.7	0	0	0	111.6	F791 E792 H793 R812 A813 R814	F791-D810 VanDerWaalsContact CA-OD1 3.28Å; F791-D810 WeakPolarHBondContact CA-OD1 3.13Å; F791-D810 HydrophobicContact CD1-CB 4.07Å; E792-D810 PolarHBondContact N-OD1 2.92Å; E792-D810 PolarHBondContact N-OD2 3Å; H793-D810 WeakPolarHBondContact CB-OD2 3.43Å; H793-D810 PolarHBondContact N-OD2 3.25Å; D810-R812 VanDerWaalsContact C-N 3.31Å; D810-R812 HydrophobicContact CB-CG 4.28Å; D810-R812 PolarHBondContact O-N 3.35Å; D810-A813 HydrophobicContact CB-CB 3.93Å; D810-A813 WeakPolarHBondContact O-CA 3.42Å; D810-A813 WeakPolarHBondContact O-CB 3.16Å; D810-A813 PolarHBondContact O-N 3.47Å; D810-R814 WeakPolarHBondContact O-CG 3.37Å; D810-R814 PolarHBondContact O-N 3.37Å
811	E	94.3	Very high	95.8	Very high	78 Å²	78	39.1 Å²	39.1	36%	0.364	19%	0.191	S	C	.	.	H	α-helix	trans	-56.4	-45.4	-179.9	-178.8	178.9	172.5	0	0	112.4	A813 R814 R815	E811-A813 VanDerWaalsContact C-N 3.26Å; E811-A813 PolarHBondContact O-N 3.4Å; E811-R814 PolarHBondContact O-N 2.88Å; E811-R814 VanDerWaalsContact O-N 3.1Å; E811-R815 WeakPolarHBondContact O-CG 3.28Å; E811-R815 PolarHBondContact O-N 2.99Å; E811-R815 IonicContact OE1-CZ 3.25Å; E811-R815 IonicContact OE1-NE 3.06Å; E811-R815 PolarHBondContact OE1-NE 2.87Å; E811-R815 IonicContact OE1-NH2 3.21Å; E811-R815 PolarHBondContact OE1-NH2 2.9Å
812	R	95.2	Very high	96	Very high	127 Å²	127	36.4 Å²	36.4	48%	0.479	19%	0.186	S	C	.	.	H	α-helix	trans	-63.8	-27.9	175.8	61.7	-179.8	-176.1	118.7	6.7	113.6	F789 G790 F791 D810 L816	F789-R812 VanDerWaalsContact O-CZ 3.26Å; F789-R812 PolarHBondContact O-NH1 3.2Å; F789-R812 PolarHBondContact O-NH2 2.99Å; G790-R812 VanDerWaalsContact CA-NH2 3.34Å; G790-R812 PolarHBondContact O-NH2 2.64Å; F791-R812 HydrophobicContact CE1-CG 4.21Å; D810-R812 VanDerWaalsContact C-N 3.31Å; D810-R812 HydrophobicContact CB-CG 4.28Å; D810-R812 PolarHBondContact O-N 3.35Å; R812-L816 WeakPolarHBondContact O-CD2 3.49Å; R812-L816 WeakPolarHBondContact O-CG 3.48Å
813	A	97.1	Very high	96.2	Very high	0 Å²	0	37 Å²	37	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-73.7	-38.3	172.3	0	0	0	0	0	111.4	L745 F791 V808 D810 E811 R815 L816 R821	L745-A813 HydrophobicContact CB-CB 4.25Å; F791-A813 HydrophobicContact CD1-CB 4.01Å; F791-A813 HydrophobicContact CE1-CB 3.7Å; F791-A813 HydrophobicContact CZ-CB 4.16Å; V808-A813 HydrophobicContact CB-CB 4.32Å; V808-A813 HydrophobicContact CG1-CB 3.7Å; D810-A813 HydrophobicContact CB-CB 3.93Å; D810-A813 WeakPolarHBondContact O-CA 3.42Å; D810-A813 WeakPolarHBondContact O-CB 3.16Å; D810-A813 PolarHBondContact O-N 3.47Å; E811-A813 VanDerWaalsContact C-N 3.26Å; E811-A813 PolarHBondContact O-N 3.4Å; A813-R815 VanDerWaalsContact C-N 3.34Å; A813-R815 PolarHBondContact O-N 3.01Å; A813-L816 WeakPolarHBondContact O-CG 3.18Å; A813-L816 PolarHBondContact O-N 3.23Å; A813-R821 PolarHBondContact O-NH2 2.88Å
814	R	97.1	Very high	96.3	Very high	10 Å²	10	37.3 Å²	37.3	4%	0.038	20%	0.203	C	C	.	.	H	α-helix	trans	-63.9	-38.6	177.3	-63.4	-167.2	-45.8	-93.2	3.1	112.5	Y675 Y680 E742 K743 E744 C809 D810 E811 L816 R821	Y675-R814 VanDerWaalsContact CE1-NH1 3.3Å; Y680-R814 WeakPolarHBondContact OH-CD 3.19Å; Y680-R814 PolarHBondContact OH-NE 3.47Å; E742-R814 WeakPolarHBondContact CA-O 3.37Å; E742-R814 HydrophobicContact CB-CB 4.32Å; E742-R814 IonicContact OE2-NE 2.87Å; K743-R814 PolarHBondContact N-O 3.28Å; K743-R814 VanDerWaalsContact O-CA 3.29Å; K743-R814 WeakPolarHBondContact O-CA 3.03Å; E744-R814 HydrophobicContact CG-CG 4.35Å; E744-R814 WeakPolarHBondContact OE1-CD 3.39Å; C809-R814 PolarHBondContact O-NH1 3.13Å; D810-R814 WeakPolarHBondContact O-CG 3.37Å; D810-R814 PolarHBondContact O-N 3.37Å; E811-R814 PolarHBondContact O-N 2.88Å; E811-R814 VanDerWaalsContact O-N 3.1Å; R814-L816 VanDerWaalsContact C-N 3.32Å; R814-L816 PolarHBondContact O-N 3.25Å; R814-R821 PolarHBondContact O-NH2 2.97Å
815	R	96.4	Very high	96.1	Very high	133 Å²	133	37.3 Å²	37.3	50%	0.502	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.7	1.4	179.4	-64.3	179.3	-173.8	-77.4	12.8	115.5	E742 E811 A813 L817	E742-R815 HydrophobicContact CG-CG 3.97Å; E742-R815 IonicContact OE1-CZ 3.9Å; E742-R815 VanDerWaalsContact OE1-CZ 3.28Å; E742-R815 IonicContact OE1-NE 2.73Å; E742-R815 IonicContact OE1-NH1 3.88Å; E742-R815 PolarHBondContact OE1-NH1 3.37Å; E742-R815 IonicContact OE1-NH2 3.94Å; E811-R815 WeakPolarHBondContact O-CG 3.28Å; E811-R815 PolarHBondContact O-N 2.99Å; E811-R815 IonicContact OE1-CZ 3.25Å; E811-R815 IonicContact OE1-NE 3.06Å; E811-R815 PolarHBondContact OE1-NE 2.87Å; E811-R815 IonicContact OE1-NH2 3.21Å; E811-R815 PolarHBondContact OE1-NH2 2.9Å; A813-R815 VanDerWaalsContact C-N 3.34Å; A813-R815 PolarHBondContact O-N 3.01Å; R815-L817 PolarHBondContact O-N 3.3Å
816	L	96.5	Very high	95.7	Very high	30 Å²	30	41 Å²	41	16%	0.157	22%	0.222	C	C	.	.			trans	-66.5	130.7	-178.4	-65.3	178.3	0	0	0	112.6	L745 F791 R812 A813 R814 V820 R821 I824	L745-L816 HydrophobicContact CD2-CD1 4.15Å; F791-L816 HydrophobicContact CZ-CD1 4.35Å; R812-L816 WeakPolarHBondContact O-CD2 3.49Å; R812-L816 WeakPolarHBondContact O-CG 3.48Å; A813-L816 WeakPolarHBondContact O-CG 3.18Å; A813-L816 PolarHBondContact O-N 3.23Å; R814-L816 VanDerWaalsContact C-N 3.32Å; R814-L816 PolarHBondContact O-N 3.25Å; L816-V820 HydrophobicContact CD2-CB 4.37Å; L816-V820 HydrophobicContact CD2-CG1 3.86Å; L816-R821 HydrophobicContact CB-CG 3.87Å; L816-R821 VanDerWaalsContact O-CZ 3.3Å; L816-R821 PolarHBondContact O-NE 3.4Å; L816-R821 PolarHBondContact O-NH2 3.02Å; L816-I824 HydrophobicContact CD1-CD1 3.56Å
817	L	94.5	Very high	95.5	Very high	119 Å²	119	44.8 Å²	44.8	62%	0.623	24%	0.237	S	C	*	.			trans	-67.5	152.8	169.1	-57.8	178.1	0	0	0	111.2	R815 S819 V820 R821	R815-L817 PolarHBondContact O-N 3.3Å; L817-S819 PolarHBondContact O-N 3.12Å; L817-V820 HydrophobicContact CB-CG2 4.39Å; L817-V820 PolarHBondContact O-N 2.88Å; L817-R821 WeakPolarHBondContact O-CG 3.17Å; L817-R821 PolarHBondContact O-N 3.18Å
818	G	92.8	Very high	95.2	Very high	29 Å²	29	44.8 Å²	44.8	30%	0.299	24%	0.237	S	C	.	.	H	α-helix	trans	-55.9	-34.6	-179.8	0	0	0	0	0	114.2	R821 A822	G818-R821 PolarHBondContact O-N 3.18Å; G818-A822 WeakPolarHBondContact O-CB 3.16Å; G818-A822 PolarHBondContact O-N 3.21Å
819	S	94.7	Very high	94.7	Very high	86 Å²	86	45.7 Å²	45.7	60%	0.601	24%	0.244	S	C	*	.	H	α-helix	trans	-64.6	-38.1	174.1	51	0	0	0	0	113.2	L817 A822 A823	L817-S819 PolarHBondContact O-N 3.12Å; S819-A822 PolarHBondContact O-N 2.87Å; S819-A823 PolarHBondContact O-N 3.27Å
820	V	96.3	Very high	94.1	Very high	63 Å²	63	46.2 Å²	46.2	38%	0.382	25%	0.247	S	C	.	.	H	α-helix	trans	-74.7	-36.7	177	-171.4	0	0	0	0	110.5	L816 L817 A822 A823 I824	L816-V820 HydrophobicContact CD2-CB 4.37Å; L816-V820 HydrophobicContact CD2-CG1 3.86Å; L817-V820 HydrophobicContact CB-CG2 4.39Å; L817-V820 PolarHBondContact O-N 2.88Å; V820-A822 VanDerWaalsContact C-N 3.31Å; V820-A822 PolarHBondContact O-N 3.05Å; V820-A823 PolarHBondContact O-N 3.25Å; V820-I824 WeakPolarHBondContact O-CG1 3.22Å; V820-I824 PolarHBondContact O-N 3.36Å
821	R	97.4	Very high	92.8	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-61.4	-40.2	171.4	-62.2	178.2	-169.2	-103.1	-7.9	112	K743 E744 L745 A813 R814 L816 L817 G818 I824 A825 T947	K743-R821 VanDerWaalsContact O-CZ 3.24Å; K743-R821 PolarHBondContact O-NH1 3.35Å; K743-R821 PolarHBondContact O-NH2 3.3Å; E744-R821 PolarHBondContact O-NH1 3.04Å; L745-R821 HydrophobicContact CD1-CB 4.32Å; L745-R821 HydrophobicContact CD1-CG 4.06Å; A813-R821 PolarHBondContact O-NH2 2.88Å; R814-R821 PolarHBondContact O-NH2 2.97Å; L816-R821 HydrophobicContact CB-CG 3.87Å; L816-R821 VanDerWaalsContact O-CZ 3.3Å; L816-R821 PolarHBondContact O-NE 3.4Å; L816-R821 PolarHBondContact O-NH2 3.02Å; L817-R821 WeakPolarHBondContact O-CG 3.17Å; L817-R821 PolarHBondContact O-N 3.18Å; G818-R821 PolarHBondContact O-N 3.18Å; R821-I824 PolarHBondContact O-N 3.18Å; R821-A825 WeakPolarHBondContact O-CB 3.3Å; R821-A825 PolarHBondContact O-N 3.18Å; R821-T947 WeakPolarHBondContact CB-O 3.22Å
822	A	94.5	Very high	90.9	Very high	23 Å²	23	50.7 Å²	50.7	19%	0.19	28%	0.277	C	S	.	.	H	α-helix	trans	-61.3	-47.6	172.6	0	0	0	0	0	111.5	G818 S819 V820 I824 A825 D826 R948	G818-A822 WeakPolarHBondContact O-CB 3.16Å; G818-A822 PolarHBondContact O-N 3.21Å; S819-A822 PolarHBondContact O-N 2.87Å; V820-A822 VanDerWaalsContact C-N 3.31Å; V820-A822 PolarHBondContact O-N 3.05Å; A822-I824 VanDerWaalsContact C-N 3.3Å; A822-I824 PolarHBondContact O-N 3.34Å; A822-A825 PolarHBondContact O-N 3.38Å; A822-A825 VanDerWaalsContact O-N 3.15Å; A822-D826 WeakPolarHBondContact O-CB 3.43Å; A822-D826 PolarHBondContact O-N 3.18Å; A822-R948 HydrophobicContact CB-CG 3.9Å
823	A	95.3	Very high	88.7	Confident	59 Å²	59	45.4 Å²	45.4	49%	0.488	26%	0.259	S	S	.	.	H	α-helix	trans	-59.3	-37.6	176.5	0	0	0	0	0	113.3	S819 V820 Y827	S819-A823 PolarHBondContact O-N 3.27Å; V820-A823 PolarHBondContact O-N 3.25Å; A823-Y827 WeakPolarHBondContact O-CB 3.43Å; A823-Y827 PolarHBondContact O-N 3.15Å
824	I	95.8	Very high	86.4	Confident	8 Å²	8	46.8 Å²	46.8	4%	0.041	27%	0.268	C	S	.	.	H	α-helix	trans	-68.3	-45.5	173.6	-64.3	172.6	0	0	0	111.1	L745 F747 F789 F791 L816 V820 R821 A822 D826 Y827 M828	L745-I824 HydrophobicContact CD2-CD1 4.01Å; L745-I824 HydrophobicContact CD2-CG2 4.28Å; F747-I824 HydrophobicContact CZ-CG2 4.07Å; F789-I824 HydrophobicContact CD1-CD1 4.46Å; F789-I824 HydrophobicContact CD1-CG1 4.36Å; F789-I824 HydrophobicContact CE1-CD1 4.32Å; F789-I824 HydrophobicContact CE1-CG1 3.74Å; F789-I824 HydrophobicContact CE1-CG2 4.41Å; F789-I824 HydrophobicContact CE2-CG2 4.04Å; F789-I824 HydrophobicContact CZ-CB 4.3Å; F789-I824 HydrophobicContact CZ-CG1 3.99Å; F789-I824 HydrophobicContact CZ-CG2 3.9Å; F791-I824 HydrophobicContact CE2-CD1 4.44Å; F791-I824 HydrophobicContact CZ-CD1 4.36Å; L816-I824 HydrophobicContact CD1-CD1 3.56Å; V820-I824 WeakPolarHBondContact O-CG1 3.22Å; V820-I824 PolarHBondContact O-N 3.36Å; R821-I824 PolarHBondContact O-N 3.18Å; A822-I824 VanDerWaalsContact C-N 3.3Å; A822-I824 PolarHBondContact O-N 3.34Å; I824-D826 VanDerWaalsContact C-N 3.29Å; I824-D826 PolarHBondContact O-N 3.19Å; I824-Y827 WeakPolarHBondContact O-CB 3.46Å; I824-Y827 PolarHBondContact O-N 2.59Å; I824-M828 HydrophobicContact CG2-SD 3.99Å; I824-M828 WeakPolarHBondContact O-CG 3.48Å; I824-M828 PolarHBondContact O-N 2.88Å; I824-M828 VanDerWaalsContact O-N 3.13Å
825	A	93.2	Very high	83.7	Confident	0 Å²	0	49 Å²	49	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-59.4	-42.4	176.9	0	0	0	0	0	111.3	R821 A822 M828 S829 V944 T947 R948	R821-A825 WeakPolarHBondContact O-CB 3.3Å; R821-A825 PolarHBondContact O-N 3.18Å; A822-A825 PolarHBondContact O-N 3.38Å; A822-A825 VanDerWaalsContact O-N 3.15Å; A825-M828 CarbonylContact O-C 3.57Å; A825-M828 PolarHBondContact O-N 3.22Å; A825-S829 VanDerWaalsContact O-CB 3.26Å; A825-S829 WeakPolarHBondContact O-CB 3.47Å; A825-S829 PolarHBondContact O-N 3.44Å; A825-S829 VanDerWaalsContact O-N 3.11Å; A825-S829 PolarHBondContact O-OG 3.27Å; A825-V944 HydrophobicContact CB-CB 4.29Å; A825-V944 HydrophobicContact CB-CG1 4.31Å; A825-T947 HydrophobicContact CB-CG2 3.92Å; A825-R948 HydrophobicContact CB-CG 4.42Å
826	D	91	Very high	81.1	Confident	83 Å²	83	48.3 Å²	48.3	44%	0.444	31%	0.309	S	S	.	.	H	α-helix	trans	-71.1	-37.4	-179.5	-63.5	-11.2	0	0	0	111.6	A822 I824 M828 S829 R948	A822-D826 WeakPolarHBondContact O-CB 3.43Å; A822-D826 PolarHBondContact O-N 3.18Å; I824-D826 VanDerWaalsContact C-N 3.29Å; I824-D826 PolarHBondContact O-N 3.19Å; D826-M828 PolarHBondContact O-N 2.93Å; D826-S829 PolarHBondContact O-N 3.41Å; D826-R948 IonicContact OD1-CZ 3.84Å; D826-R948 IonicContact OD1-NE 2.66Å; D826-R948 IonicContact OD1-NH2 2.69Å; D826-R948 PolarHBondContact OD1-NH2 3.38Å; D826-R948 IonicContact OD2-NH2 2.72Å
827	Y	92.8	Very high	78.6	Confident	80 Å²	80	52.9 Å²	52.9	31%	0.314	33%	0.33	S	S	.	.	H	α-helix	trans	-57.1	-37.7	170.2	-175.9	-84.8	0	0	0	112	T784 D788 F789 A823 I824 H849 Y851	T784-Y827 HydrophobicContact CG2-CD1 4.49Å; T784-Y827 HydrophobicContact CG2-CE1 4.12Å; D788-Y827 PolarHBondContact OD2-OH 3.02Å; F789-Y827 HydrophobicContact CE2-CD1 4.02Å; F789-Y827 HydrophobicContact CE2-CE1 4.28Å; F789-Y827 AromaticContact CZ-CD1 3.88Å; F789-Y827 HydrophobicContact CZ-CD1 3.88Å; F789-Y827 HydrophobicContact CZ-CE1 4.32Å; F789-Y827 HydrophobicContact CZ-CG 4.09Å; A823-Y827 WeakPolarHBondContact O-CB 3.43Å; A823-Y827 PolarHBondContact O-N 3.15Å; I824-Y827 WeakPolarHBondContact O-CB 3.46Å; I824-Y827 PolarHBondContact O-N 2.59Å; Y827-H849 AromaticContact CE2-CE1 3.87Å; Y827-Y851 HydrophobicContact CD1-CD1 4.31Å; Y827-Y851 HydrophobicContact CD1-CE1 4.48Å; Y827-Y851 HydrophobicContact CD1-CG 4.43Å; Y827-Y851 HydrophobicContact CE1-CD1 4.03Å; Y827-Y851 HydrophobicContact CE1-CD2 4.02Å; Y827-Y851 AromaticContact CE1-CG 3.73Å; Y827-Y851 HydrophobicContact CE1-CG 3.73Å; Y827-Y851 WeakPolarHBondContact O-CD1 3.33Å; Y827-Y851 WeakPolarHBondContact O-CE1 3.47Å
828	M	92.5	Very high	76.4	Confident	0 Å²	0	52.2 Å²	52.2	0%	0	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.2	7.5	-176	-58.5	-178.8	72.2	0	0	113.8	F747 I781 T784 L785 F789 I824 A825 D826 Y939 L942	F747-M828 HydrophobicContact CE1-CE 4.49Å; F747-M828 HydrophobicContact CE1-SD 3.87Å; F747-M828 HydrophobicContact CZ-SD 3.94Å; I781-M828 HydrophobicContact CB-CE 4Å; I781-M828 HydrophobicContact CG1-CE 3.95Å; I781-M828 HydrophobicContact CG2-CE 3.73Å; T784-M828 HydrophobicContact CG2-CE 3.73Å; T784-M828 HydrophobicContact CG2-CG 4.15Å; T784-M828 HydrophobicContact CG2-SD 4.09Å; L785-M828 HydrophobicContact CD2-SD 4.32Å; L785-M828 HydrophobicContact CG-CE 4.43Å; F789-M828 HydrophobicContact CE2-CG 4.42Å; F789-M828 HydrophobicContact CE2-SD 4.07Å; I824-M828 HydrophobicContact CG2-SD 3.99Å; I824-M828 WeakPolarHBondContact O-CG 3.48Å; I824-M828 PolarHBondContact O-N 2.88Å; I824-M828 VanDerWaalsContact O-N 3.13Å; A825-M828 CarbonylContact O-C 3.57Å; A825-M828 PolarHBondContact O-N 3.22Å; D826-M828 PolarHBondContact O-N 2.93Å; M828-Y939 VanDerWaalsContact C-OH 3.26Å; M828-Y939 PolarHBondContact O-OH 3.19Å; M828-L942 HydrophobicContact CB-CD1 3.86Å; M828-L942 WeakPolarHBondContact O-CD1 3.31Å
829	S	88.5	Confident	74.2	Confident	20 Å²	20	62 Å²	62	14%	0.14	35%	0.35	C	S	.	.			trans	-116.1	100.8	-176.1	-65.6	0	0	0	0	112.6	A825 D826 V944	A825-S829 VanDerWaalsContact O-CB 3.26Å; A825-S829 WeakPolarHBondContact O-CB 3.47Å; A825-S829 PolarHBondContact O-N 3.44Å; A825-S829 VanDerWaalsContact O-N 3.11Å; A825-S829 PolarHBondContact O-OG 3.27Å; D826-S829 PolarHBondContact O-N 3.41Å; S829-V944 WeakPolarHBondContact OG-CG1 3.32Å
830	L	84.2	Confident	72.2	Confident	10 Å²	10	62.6 Å²	62.6	5%	0.052	34%	0.343	C	S	.	.			trans	-90.7	-3.7	174.9	-57.7	-177.4	0	0	0	114.1	C833 V852 L935 Y939	L830-C833 WeakPolarHBondContact O-CB 3.3Å; L830-C833 PolarHBondContact O-N 3.35Å; L830-V852 HydrophobicContact CD1-CG1 4.24Å; L830-V852 HydrophobicContact CD1-CG2 4.14Å; L830-V852 HydrophobicContact CD2-CG2 3.85Å; L830-L935 HydrophobicContact CD1-CD1 4.49Å; L830-L935 HydrophobicContact CD1-CD2 4.38Å; L830-Y939 HydrophobicContact CB-CD1 4.07Å; L830-Y939 HydrophobicContact CB-CE1 3.77Å; L830-Y939 HydrophobicContact CD1-CD1 4.35Å; L830-Y939 HydrophobicContact CD1-CD2 3.78Å; L830-Y939 HydrophobicContact CD1-CE1 4.1Å; L830-Y939 HydrophobicContact CD1-CE2 3.43Å; L830-Y939 VanDerWaalsContact CD1-CE2 3.43Å; L830-Y939 HydrophobicContact CD1-CG 4.22Å; L830-Y939 HydrophobicContact CG-CD1 4.37Å; L830-Y939 HydrophobicContact CG-CE1 3.8Å; L830-Y939 HydrophobicContact CG-CE2 3.91Å
831	F	69.4	Low	70.3	Confident	62 Å²	62	60.8 Å²	60.8	27%	0.272	33%	0.331	S	S	.	.			trans	-109	143.1	178.1	-71	-69.7	0	0	0	111.6	C833 V834 S936 Y939 R941	F831-C833 VanDerWaalsContact C-N 3.32Å; F831-C833 VanDerWaalsContact CA-N 3.31Å; F831-V834 HydrophobicContact CD1-CG2 4.06Å; F831-V834 HydrophobicContact CE1-CB 4.08Å; F831-V834 HydrophobicContact CE1-CG2 3.7Å; F831-V834 HydrophobicContact CZ-CG2 4.23Å; F831-S936 WeakPolarHBondContact CZ-O 3.39Å; F831-Y939 AromaticContact CD2-CD1 3.97Å; F831-Y939 HydrophobicContact CD2-CD1 3.97Å; F831-Y939 AromaticContact CE2-CD1 3.76Å; F831-Y939 HydrophobicContact CE2-CD1 3.76Å; F831-Y939 HydrophobicContact CE2-CG 4.36Å; F831-R941 HydrophobicContact CD2-CG 4.24Å; F831-R941 HydrophobicContact CE2-CG 4.34Å
832	P	54.6	Low	68.3	Low	123 Å²	123	64.4 Å²	64.4	80%	0.799	35%	0.35	S	S	*	.	S	Bend	cis	-84.4	19.1	9.4	35.8	-38.3	0	0	0	115.1	V834	P832-V834 VanDerWaalsContact C-N 3.3Å; P832-V834 PolarHBondContact O-N 2.94Å
833	C	48.7	Very low	66.5	Low	15 Å²	15	64.2 Å²	64.2	10%	0.101	35%	0.35	C	S	.	.			trans	-79	-2.1	-159	-57	0	0	0	0	116.1	L830 F831 G835 Q840	L830-C833 WeakPolarHBondContact O-CB 3.3Å; L830-C833 PolarHBondContact O-N 3.35Å; F831-C833 VanDerWaalsContact C-N 3.32Å; F831-C833 VanDerWaalsContact CA-N 3.31Å; C833-G835 PolarHBondContact O-N 3.4Å; C833-Q840 HydrophobicContact CB-CB 4.34Å; C833-Q840 HydrophobicContact CB-CG 4.45Å; C833-Q840 VanDerWaalsContact CB-OE1 3.22Å; C833-Q840 PolarHBondContact SG-OE1 3.43Å
834	V	47.9	Very low	64.4	Low	29 Å²	29	66.3 Å²	66.3	18%	0.176	35%	0.353	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.4	105.7	173.3	-156.8	0	0	0	0	110.5	F831 P832 M841 S936	F831-V834 HydrophobicContact CD1-CG2 4.06Å; F831-V834 HydrophobicContact CE1-CB 4.08Å; F831-V834 HydrophobicContact CE1-CG2 3.7Å; F831-V834 HydrophobicContact CZ-CG2 4.23Å; P832-V834 VanDerWaalsContact C-N 3.3Å; P832-V834 PolarHBondContact O-N 2.94Å; V834-M841 HydrophobicContact CG1-SD 4.42Å; V834-S936 WeakPolarHBondContact CG1-OG 3.43Å
835	G	41.6	Very low	62.7	Low	57 Å²	57	68 Å²	68	59%	0.588	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	136.8	-19.8	174	0	0	0	0	0	115.8	C833	C833-G835 PolarHBondContact O-N 3.4Å
836	S	40.6	Very low	61.4	Low	119 Å²	119	73.2 Å²	73.2	83%	0.832	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-150.1	-21	176.5	-58	0	0	0	0	115.8
837	Q	43.7	Very low	60.7	Low	126 Å²	126	70.5 Å²	70.5	59%	0.589	40%	0.397	S	S	*	.			trans	-111.1	66	-177.7	-66.1	-168.3	2.7	0	0	112.5	R839 Q840	Q837-R839 PolarHBondContact O-N 3.47Å; Q837-Q840 PolarHBondContact O-N 2.98Å
838	K	48.7	Very low	60.2	Low	104 Å²	104	67.3 Å²	67.3	45%	0.452	39%	0.386	S	S	.	.	G	3₁₀ helix	trans	-48.7	-22.9	-177.5	-74.3	175.7	175.9	158.6	0	116	Q840 M841	K838-Q840 VanDerWaalsContact C-N 3.27Å; K838-Q840 PolarHBondContact O-N 3.18Å; K838-M841 PolarHBondContact O-N 2.89Å
839	R	46.1	Very low	60	Low	236 Å²	236	70.3 Å²	70.3	89%	0.891	40%	0.4	S	S	*	.	G	3₁₀ helix	trans	-61.7	-24.7	-176.4	-83.3	-172.9	171.5	-173.6	-3.2	115	Q837	Q837-R839 PolarHBondContact O-N 3.47Å
840	Q	52.6	Low	60.1	Low	97 Å²	97	73.9 Å²	73.9	45%	0.453	42%	0.422	S	S	.	.	G	3₁₀ helix	trans	-81.4	-22.7	-179	-73.8	-166.7	-4.3	0	0	114.6	C833 Q837 K838	C833-Q840 HydrophobicContact CB-CB 4.34Å; C833-Q840 HydrophobicContact CB-CG 4.45Å; C833-Q840 VanDerWaalsContact CB-OE1 3.22Å; C833-Q840 PolarHBondContact SG-OE1 3.43Å; Q837-Q840 PolarHBondContact O-N 2.98Å; K838-Q840 VanDerWaalsContact C-N 3.27Å; K838-Q840 PolarHBondContact O-N 3.18Å
841	M	57.4	Low	60.5	Low	26 Å²	26	73.5 Å²	73.5	13%	0.128	42%	0.42	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.3	-26.7	179.8	-67.4	-172.9	67.8	0	0	113.3	V834 K838 L848 H849 V852 L935	V834-M841 HydrophobicContact CG1-SD 4.42Å; K838-M841 PolarHBondContact O-N 2.89Å; M841-L848 HydrophobicContact CB-CD2 4.08Å; M841-L848 HydrophobicContact CE-CD2 4.15Å; M841-L848 WeakPolarHBondContact O-CA 3.44Å; M841-L848 WeakPolarHBondContact O-CD2 3.31Å; M841-H849 PolarHBondContact O-N 2.86Å; M841-V852 HydrophobicContact CB-CG1 4.43Å; M841-V852 HydrophobicContact CE-CG1 3.92Å; M841-V852 HydrophobicContact CG-CG1 4.5Å; M841-L935 HydrophobicContact CE-CD1 3.45Å; M841-L935 VanDerWaalsContact CE-CD1 3.45Å
842	L	56.2	Low	61.5	Low	76 Å²	76	70.7 Å²	70.7	40%	0.398	41%	0.408	S	S	.	.	B	Isolated β-bridge	trans	-85.7	134.6	-175.7	-65.1	170.9	0	0	0	110.7	F928	L842-F928 HydrophobicContact CD2-CE2 4.26Å
843	G	55.1	Low	63.2	Low	18 Å²	18	68.9 Å²	68.9	19%	0.186	39%	0.389	C	S	.	.			trans	-75.8	-162.6	175.3	0	0	0	0	0	113	G845 G847	G843-G845 PolarHBondContact O-N 3.15Å; G843-G847 PolarHBondContact N-O 3.42Å
844	N	51.7	Low	65.4	Low	103 Å²	103	70.4 Å²	70.4	55%	0.551	39%	0.393	S	S	*	.	S	Bend	trans	-73	-7.7	176.7	-62	5.5	0	0	0	113.4	R138	R138-N844 WeakPolarHBondContact CD-ND2 3.39Å; R138-N844 PolarHBondContact NE-OD1 3.27Å; R138-N844 PolarHBondContact NH1-OD1 2.94Å; R138-N844 PolarHBondContact NH2-OD1 3.48Å
845	G	59.7	Low	67.5	Low	43 Å²	43	69.1 Å²	69.1	44%	0.443	39%	0.385	S	S	.	.	S	Bend	trans	-133.5	-166.6	-179.1	0	0	0	0	0	112.3	G843 G847	G843-G845 PolarHBondContact O-N 3.15Å; G845-G847 PolarHBondContact O-N 2.93Å
846	P	66.1	Low	69.9	Low	110 Å²	110	66.4 Å²	66.4	71%	0.714	36%	0.357	S	S	*	.	S	Bend	trans	-75.2	20.9	-169.4	32.2	-37.8	0	0	0	115.5	K927	P846-K927 PolarHBondContact O-NZ 3.06Å
847	G	76.1	Confident	72.5	Confident	26 Å²	26	66 Å²	66	27%	0.268	34%	0.342	S	S	.	.	S	Bend	trans	-131	175.1	-175.7	0	0	0	0	0	113.1	G843 G845	G843-G847 PolarHBondContact N-O 3.42Å; G845-G847 PolarHBondContact O-N 2.93Å
848	L	83.1	Confident	74.8	Confident	13 Å²	13	63.3 Å²	63.3	7%	0.068	33%	0.327	C	S	.	.	B	Isolated β-bridge	trans	-66.9	153.9	171.9	-65.4	174.2	0	0	0	110.4	M841 V852 E853 F928 K931	M841-L848 HydrophobicContact CB-CD2 4.08Å; M841-L848 HydrophobicContact CE-CD2 4.15Å; M841-L848 WeakPolarHBondContact O-CA 3.44Å; M841-L848 WeakPolarHBondContact O-CD2 3.31Å; L848-V852 HydrophobicContact CD2-CG1 4.24Å; L848-E853 HydrophobicContact CB-CB 4.33Å; L848-F928 HydrophobicContact CD1-CB 4.5Å; L848-F928 HydrophobicContact CD1-CD1 4.3Å; L848-F928 HydrophobicContact CD1-CG 4.22Å; L848-F928 HydrophobicContact CD2-CB 4.46Å; L848-F928 HydrophobicContact CD2-CD2 3.82Å; L848-F928 HydrophobicContact CD2-CE2 4.29Å; L848-F928 HydrophobicContact CD2-CG 4.17Å; L848-F928 HydrophobicContact CG-CD1 4.36Å; L848-F928 HydrophobicContact CG-CD2 3.95Å; L848-F928 HydrophobicContact CG-CE1 4.5Å; L848-F928 HydrophobicContact CG-CE2 4.11Å; L848-F928 HydrophobicContact CG-CG 4.08Å; L848-F928 HydrophobicContact CG-CZ 4.38Å; L848-K931 HydrophobicContact CD1-CB 4.47Å; L848-K931 HydrophobicContact CD1-CD 3.52Å
849	H	88.6	Confident	77	Confident	64 Å²	64	58.4 Å²	58.4	30%	0.296	31%	0.305	S	S	.	.			trans	-62.9	140.5	168.9	-176.9	-91.6	0	0	0	109.8	Y827 M841 Y851 V852 E853	Y827-H849 AromaticContact CE2-CE1 3.87Å; M841-H849 PolarHBondContact O-N 2.86Å; H849-Y851 VanDerWaalsContact C-N 3.28Å; H849-Y851 WeakPolarHBondContact ND1-CB 3.44Å; H849-Y851 PolarHBondContact ND1-N 3.42Å; H849-Y851 PolarHBondContact O-N 3.28Å; H849-Y851 VanDerWaalsContact O-N 3.14Å; H849-V852 HydrophobicContact CB-CB 4.41Å; H849-V852 HydrophobicContact CB-CG2 4.02Å; H849-V852 WeakPolarHBondContact O-CA 3.46Å; H849-V852 WeakPolarHBondContact O-CB 3.47Å; H849-V852 PolarHBondContact O-N 3.07Å; H849-E853 PolarHBondContact O-N 3.35Å
850	P	90.5	Very high	79.2	Confident	94 Å²	94	50.5 Å²	50.5	61%	0.61	28%	0.283	S	S	*	.	H	α-helix	trans	-53.3	-40.1	-173.2	-30.3	36.4	0	0	0	114.6	V852 E853 R854	P850-V852 PolarHBondContact O-N 2.92Å; P850-E853 PolarHBondContact O-N 3.44Å; P850-R854 PolarHBondContact O-N 2.93Å
851	Y	91.5	Very high	81.1	Confident	3 Å²	3	50.1 Å²	50.1	1%	0.012	28%	0.281	C	S	.	.	H	α-helix	trans	-57.6	-45.3	171.9	170.8	-119.6	0	0	0	113.1	I780 T784 Y827 H849 E853 R854 A855 Y939	I780-Y851 HydrophobicContact CG2-CE2 4.37Å; T784-Y851 HydrophobicContact CG2-CD2 4.01Å; T784-Y851 HydrophobicContact CG2-CE2 3.66Å; T784-Y851 WeakPolarHBondContact OG1-CE2 3.33Å; Y827-Y851 HydrophobicContact CD1-CD1 4.31Å; Y827-Y851 HydrophobicContact CD1-CE1 4.48Å; Y827-Y851 HydrophobicContact CD1-CG 4.43Å; Y827-Y851 HydrophobicContact CE1-CD1 4.03Å; Y827-Y851 HydrophobicContact CE1-CD2 4.02Å; Y827-Y851 AromaticContact CE1-CG 3.73Å; Y827-Y851 HydrophobicContact CE1-CG 3.73Å; Y827-Y851 WeakPolarHBondContact O-CD1 3.33Å; Y827-Y851 WeakPolarHBondContact O-CE1 3.47Å; H849-Y851 VanDerWaalsContact C-N 3.28Å; H849-Y851 WeakPolarHBondContact ND1-CB 3.44Å; H849-Y851 PolarHBondContact ND1-N 3.42Å; H849-Y851 PolarHBondContact O-N 3.28Å; H849-Y851 VanDerWaalsContact O-N 3.14Å; Y851-E853 VanDerWaalsContact C-N 3.35Å; Y851-R854 PolarHBondContact O-N 2.87Å; Y851-A855 VanDerWaalsContact O-CB 3.24Å; Y851-A855 WeakPolarHBondContact O-CB 3.47Å; Y851-A855 PolarHBondContact O-N 2.76Å; Y851-Y939 HydrophobicContact CE1-CE2 4.48Å; Y851-Y939 WeakPolarHBondContact CE1-OH 3.39Å; Y851-Y939 PolarHBondContact OH-OH 2.94Å
852	V	90.9	Very high	82.7	Confident	3 Å²	3	50.1 Å²	50.1	2%	0.018	28%	0.281	C	S	.	.	H	α-helix	trans	-68.4	-37	-178.7	179.9	0	0	0	0	110.7	L830 M841 L848 H849 P850 A856 L935	L830-V852 HydrophobicContact CD1-CG1 4.24Å; L830-V852 HydrophobicContact CD1-CG2 4.14Å; L830-V852 HydrophobicContact CD2-CG2 3.85Å; M841-V852 HydrophobicContact CB-CG1 4.43Å; M841-V852 HydrophobicContact CE-CG1 3.92Å; M841-V852 HydrophobicContact CG-CG1 4.5Å; L848-V852 HydrophobicContact CD2-CG1 4.24Å; H849-V852 HydrophobicContact CB-CB 4.41Å; H849-V852 HydrophobicContact CB-CG2 4.02Å; H849-V852 WeakPolarHBondContact O-CA 3.46Å; H849-V852 WeakPolarHBondContact O-CB 3.47Å; H849-V852 PolarHBondContact O-N 3.07Å; P850-V852 PolarHBondContact O-N 2.92Å; V852-A856 VanDerWaalsContact O-CB 3.26Å; V852-A856 WeakPolarHBondContact O-CB 3.26Å; V852-A856 PolarHBondContact O-N 3.48Å; V852-L935 HydrophobicContact CG1-CD1 3.81Å
853	E	91.3	Very high	84.5	Confident	84 Å²	84	46.7 Å²	46.7	39%	0.393	26%	0.263	S	S	.	.	H	α-helix	trans	-64.1	-49.2	173.6	-178.5	128.9	-106.8	0	0	111.8	L848 H849 P850 Y851 A856 Q857 K931	L848-E853 HydrophobicContact CB-CB 4.33Å; H849-E853 PolarHBondContact O-N 3.35Å; P850-E853 PolarHBondContact O-N 3.44Å; Y851-E853 VanDerWaalsContact C-N 3.35Å; E853-A856 PolarHBondContact O-N 3Å; E853-Q857 PolarHBondContact O-N 3.34Å; E853-K931 IonicContact OE1-NZ 2.76Å; E853-K931 PolarHBondContact OE1-NZ 2.72Å
854	R	93.1	Very high	86.3	Confident	48 Å²	48	49.9 Å²	49.9	18%	0.181	28%	0.281	C	S	.	.	H	α-helix	trans	-63.1	-42.9	177	-167	176.5	66.6	-128	-9.5	111.7	T784 D788 P850 Y851 A856 Q857 R858	T784-R854 PolarHBondContact OG1-NH2 2.9Å; D788-R854 IonicContact OD1-CZ 3.53Å; D788-R854 IonicContact OD1-NH1 2.76Å; D788-R854 PolarHBondContact OD1-NH1 3.13Å; D788-R854 IonicContact OD1-NH2 2.92Å; D788-R854 PolarHBondContact OD1-NH2 2.89Å; D788-R854 VanDerWaalsContact OD1-NH2 3.11Å; D788-R854 IonicContact OD2-CZ 3.94Å; D788-R854 IonicContact OD2-NH1 3.34Å; D788-R854 IonicContact OD2-NH2 3.03Å; D788-R854 PolarHBondContact OD2-NH2 2.73Å; P850-R854 PolarHBondContact O-N 2.93Å; Y851-R854 PolarHBondContact O-N 2.87Å; R854-A856 PolarHBondContact O-N 3.12Å; R854-Q857 WeakPolarHBondContact O-CB 3.49Å; R854-Q857 PolarHBondContact O-N 2.66Å; R854-R858 WeakPolarHBondContact O-CG 3.31Å; R854-R858 PolarHBondContact O-N 3.19Å
855	A	93.5	Very high	88.3	Confident	2 Å²	2	48.2 Å²	48.2	2%	0.017	27%	0.274	C	S	.	.	H	α-helix	trans	-62.9	-39.9	175.3	0	0	0	0	0	112.5	I780 Y851 Q857 R858 C859 L935 Y939	I780-A855 HydrophobicContact CD1-CB 4.45Å; I780-A855 HydrophobicContact CG2-CB 4.04Å; Y851-A855 VanDerWaalsContact O-CB 3.24Å; Y851-A855 WeakPolarHBondContact O-CB 3.47Å; Y851-A855 PolarHBondContact O-N 2.76Å; A855-Q857 VanDerWaalsContact C-N 3.35Å; A855-R858 PolarHBondContact O-N 3.27Å; A855-C859 PolarHBondContact O-N 3.41Å; A855-C859 PolarHBondContact O-SG 3.45Å; A855-L935 HydrophobicContact CB-CD2 4.33Å; A855-Y939 HydrophobicContact CB-CD2 4.01Å; A855-Y939 HydrophobicContact CB-CE2 3.79Å
856	A	92.3	Very high	90	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-63.3	-40.9	174.1	0	0	0	0	0	111.5	V852 E853 R854 C859 T860 K931 L935	V852-A856 VanDerWaalsContact O-CB 3.26Å; V852-A856 WeakPolarHBondContact O-CB 3.26Å; V852-A856 PolarHBondContact O-N 3.48Å; E853-A856 PolarHBondContact O-N 3Å; R854-A856 PolarHBondContact O-N 3.12Å; A856-C859 PolarHBondContact O-N 3.47Å; A856-T860 WeakPolarHBondContact O-CB 3.45Å; A856-T860 PolarHBondContact O-N 3.07Å; A856-T860 PolarHBondContact O-OG1 2.93Å; A856-K931 HydrophobicContact CB-CB 4.28Å; A856-K931 HydrophobicContact CB-CD 4.34Å; A856-K931 HydrophobicContact CB-CG 4.27Å; A856-L935 HydrophobicContact CB-CD1 4.06Å; A856-L935 HydrophobicContact CB-CD2 4.23Å; A856-L935 HydrophobicContact CB-CG 4.1Å
857	Q	93.5	Very high	91.3	Very high	111 Å²	111	41.8 Å²	41.8	52%	0.519	22%	0.224	S	C	.	.	H	α-helix	trans	-60.5	-49.6	175.1	-177.2	177.9	-4.2	0	0	111.5	E853 R854 A855 C859 T860 E861	E853-Q857 PolarHBondContact O-N 3.34Å; R854-Q857 WeakPolarHBondContact O-CB 3.49Å; R854-Q857 PolarHBondContact O-N 2.66Å; A855-Q857 VanDerWaalsContact C-N 3.35Å; Q857-C859 PolarHBondContact O-N 3.5Å; Q857-T860 WeakPolarHBondContact O-CA 3.32Å; Q857-T860 WeakPolarHBondContact O-CB 3.46Å; Q857-T860 PolarHBondContact O-N 3.41Å; Q857-E861 PolarHBondContact O-N 3.18Å
858	R	93.3	Very high	92.1	Very high	69 Å²	69	44.2 Å²	44.2	26%	0.26	24%	0.241	S	C	.	.	H	α-helix	trans	-63.1	-37.9	177.6	-63.4	-51.6	-178.3	-153.6	-1.1	113.3	I780 E783 R854 A855 T860 E861	I780-R858 HydrophobicContact CD1-CB 4.18Å; I780-R858 HydrophobicContact CG1-CB 3.67Å; I780-R858 HydrophobicContact CG1-CG 4.3Å; E783-R858 IonicContact OE1-CZ 3.15Å; E783-R858 IonicContact OE1-NE 3.17Å; E783-R858 PolarHBondContact OE1-NE 2.89Å; E783-R858 IonicContact OE1-NH2 3.64Å; E783-R858 PolarHBondContact OE1-NH2 3.28Å; E783-R858 WeakPolarHBondContact OE2-CG 3.07Å; E783-R858 IonicContact OE2-CZ 2.61Å; E783-R858 IonicContact OE2-NE 2.81Å; E783-R858 PolarHBondContact OE2-NE 3.44Å; E783-R858 IonicContact OE2-NH2 2.7Å; R854-R858 WeakPolarHBondContact O-CG 3.31Å; R854-R858 PolarHBondContact O-N 3.19Å; A855-R858 PolarHBondContact O-N 3.27Å; R858-T860 VanDerWaalsContact C-N 3.33Å; R858-E861 WeakPolarHBondContact CD-OE1 3.49Å; R858-E861 IonicContact CZ-OE1 2.67Å; R858-E861 IonicContact NH1-OE1 2.77Å; R858-E861 PolarHBondContact NH1-OE1 3.11Å; R858-E861 IonicContact NH1-OE2 3.4Å
859	C	94.5	Very high	92.6	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-61.9	-43.4	170.8	-68.5	0	0	0	0	111.2	I780 A855 A856 Q857 E861 M862 F863 V934 C938	I780-C859 WeakPolarHBondContact CD1-SG 3.27Å; A855-C859 PolarHBondContact O-N 3.41Å; A855-C859 PolarHBondContact O-SG 3.45Å; A856-C859 PolarHBondContact O-N 3.47Å; Q857-C859 PolarHBondContact O-N 3.5Å; C859-E861 VanDerWaalsContact C-N 3.34Å; C859-E861 PolarHBondContact O-N 3.08Å; C859-M862 PolarHBondContact O-N 3.47Å; C859-F863 WeakPolarHBondContact O-CB 3.4Å; C859-F863 PolarHBondContact O-N 2.96Å; C859-V934 HydrophobicContact CB-CG1 3.43Å; C859-V934 VanDerWaalsContact CB-CG1 3.43Å; C859-C938 HydrophobicContact CB-CB 4Å
860	T	93.2	Very high	92.9	Very high	70 Å²	70	43.5 Å²	43.5	43%	0.429	24%	0.238	S	C	.	.	H	α-helix	trans	-62.6	-36.9	-178.1	-56.6	0	0	0	0	112.3	A856 Q857 R858 M862 F863 P864	A856-T860 WeakPolarHBondContact O-CB 3.45Å; A856-T860 PolarHBondContact O-N 3.07Å; A856-T860 PolarHBondContact O-OG1 2.93Å; Q857-T860 WeakPolarHBondContact O-CA 3.32Å; Q857-T860 WeakPolarHBondContact O-CB 3.46Å; Q857-T860 PolarHBondContact O-N 3.41Å; R858-T860 VanDerWaalsContact C-N 3.33Å; T860-M862 VanDerWaalsContact C-N 3.28Å; T860-M862 PolarHBondContact O-N 3.41Å; T860-F863 PolarHBondContact O-N 2.89Å; T860-P864 VanDerWaalsContact O-CD 3.31Å; T860-P864 WeakPolarHBondContact O-CD 3.43Å
861	E	92.5	Very high	93.1	Very high	89 Å²	89	39.2 Å²	39.2	42%	0.416	21%	0.21	S	C	.	.	H	α-helix	trans	-56.3	-39.3	176.7	-72.3	168.6	-158.9	0	0	113.2	R779 Q857 R858 C859	R779-E861 IonicContact NH1-OE2 2.82Å; Q857-E861 PolarHBondContact O-N 3.18Å; R858-E861 WeakPolarHBondContact CD-OE1 3.49Å; R858-E861 IonicContact CZ-OE1 2.67Å; R858-E861 IonicContact NH1-OE1 2.77Å; R858-E861 PolarHBondContact NH1-OE1 3.11Å; R858-E861 IonicContact NH1-OE2 3.4Å; C859-E861 VanDerWaalsContact C-N 3.34Å; C859-E861 PolarHBondContact O-N 3.08Å
862	M	90.5	Very high	93.3	Very high	26 Å²	26	39.6 Å²	39.6	13%	0.128	21%	0.212	C	C	.	.	H	α-helix	trans	-99	-8.6	-179.6	-50.2	-156.5	100.4	0	0	113.1	L772 V775 V776 C859 T860 T865 L866	L772-M862 HydrophobicContact CD1-CE 3.52Å; L772-M862 HydrophobicContact CD1-SD 3.75Å; V775-M862 HydrophobicContact CG1-CE 4.13Å; V775-M862 HydrophobicContact CG1-SD 4.02Å; V776-M862 HydrophobicContact CG2-CB 3.68Å; V776-M862 HydrophobicContact CG2-CG 3.85Å; V776-M862 HydrophobicContact CG2-SD 3.52Å; V776-M862 VanDerWaalsContact CG2-SD 3.52Å; C859-M862 PolarHBondContact O-N 3.47Å; T860-M862 VanDerWaalsContact C-N 3.28Å; T860-M862 PolarHBondContact O-N 3.41Å; M862-T865 PolarHBondContact O-N 2.74Å; M862-T865 VanDerWaalsContact O-N 3.16Å; M862-L866 PolarHBondContact O-N 2.7Å; M862-L866 VanDerWaalsContact O-N 3.11Å
863	F	93.8	Very high	93.4	Very high	5 Å²	5	39.5 Å²	39.5	2%	0.022	21%	0.211	C	C	.	.	H	α-helix	trans	-57.2	-44.1	-174.3	-170.3	-95.7	0	0	0	114.1	C859 T860 T865 L866 L867 W872 W910 V934 L937 C938	C859-F863 WeakPolarHBondContact O-CB 3.4Å; C859-F863 PolarHBondContact O-N 2.96Å; T860-F863 PolarHBondContact O-N 2.89Å; F863-T865 PolarHBondContact O-N 3.29Å; F863-L866 PolarHBondContact O-N 3.47Å; F863-L867 HydrophobicContact CD1-CB 4.3Å; F863-L867 HydrophobicContact CE1-CB 4Å; F863-L867 HydrophobicContact CE1-CD1 4.14Å; F863-L867 HydrophobicContact CE1-CD2 4.01Å; F863-L867 HydrophobicContact CE1-CG 4.27Å; F863-L867 HydrophobicContact CZ-CB 4.44Å; F863-L867 HydrophobicContact CZ-CD1 4.24Å; F863-L867 VanDerWaalsContact O-CB 3.22Å; F863-L867 WeakPolarHBondContact O-CB 3.23Å; F863-L867 PolarHBondContact O-N 3.29Å; F863-W872 HydrophobicContact CD2-CZ3 4.21Å; F863-W872 HydrophobicContact CE2-CE3 4.12Å; F863-W872 HydrophobicContact CE2-CH2 4.5Å; F863-W872 AromaticContact CE2-CZ3 3.58Å; F863-W872 HydrophobicContact CE2-CZ3 3.58Å; F863-W872 HydrophobicContact CZ-CE3 4.15Å; F863-W872 HydrophobicContact CZ-CZ3 4.05Å; F863-W910 AromaticContact CD1-CH2 3.94Å; F863-W910 HydrophobicContact CD1-CH2 3.94Å; F863-W910 AromaticContact CD1-CZ2 3.88Å; F863-W910 HydrophobicContact CD1-CZ2 3.88Å; F863-W910 HydrophobicContact CD1-CZ3 4.39Å; F863-W910 HydrophobicContact CE1-CD2 4.02Å; F863-W910 AromaticContact CE1-CE2 3.94Å; F863-W910 AromaticContact CE1-CE3 3.71Å; F863-W910 HydrophobicContact CE1-CE3 3.71Å; F863-W910 AromaticContact CE1-CH2 3.22Å; F863-W910 HydrophobicContact CE1-CH2 3.22Å; F863-W910 AromaticContact CE1-CZ2 3.56Å; F863-W910 HydrophobicContact CE1-CZ2 3.56Å; F863-W910 AromaticContact CE1-CZ3 3.31Å; F863-W910 HydrophobicContact CE1-CZ3 3.31Å; F863-W910 HydrophobicContact CZ-CE3 4.28Å; F863-W910 AromaticContact CZ-CH2 3.67Å; F863-W910 HydrophobicContact CZ-CH2 3.67Å; F863-W910 HydrophobicContact CZ-CZ2 4.43Å; F863-W910 AromaticContact CZ-CZ3 3.59Å; F863-W910 HydrophobicContact CZ-CZ3 3.59Å; F863-V934 HydrophobicContact CB-CG1 4.44Å; F863-V934 HydrophobicContact CD1-CG2 4.27Å; F863-V934 HydrophobicContact CD2-CB 4.19Å; F863-V934 HydrophobicContact CD2-CG1 3.91Å; F863-V934 HydrophobicContact CD2-CG2 3.85Å; F863-V934 HydrophobicContact CE1-CG2 4.38Å; F863-V934 HydrophobicContact CE2-CB 4.39Å; F863-V934 HydrophobicContact CE2-CG2 3.98Å; F863-V934 HydrophobicContact CG-CG1 4.32Å; F863-V934 HydrophobicContact CG-CG2 4.01Å; F863-V934 HydrophobicContact CZ-CG2 4.25Å; F863-L937 HydrophobicContact CE2-CB 4.38Å; F863-L937 HydrophobicContact CE2-CD1 3.76Å; F863-L937 HydrophobicContact CZ-CD1 3.98Å; F863-C938 VanDerWaalsContact CD2-SG 3.57Å
864	P	92.9	Very high	93.5	Very high	84 Å²	84	39.6 Å²	39.6	55%	0.545	22%	0.215	S	C	.	.	H	α-helix	trans	-59.1	-34.6	178.7	-25.5	35.3	0	0	0	113.2	T860 A868	T860-P864 VanDerWaalsContact O-CD 3.31Å; T860-P864 WeakPolarHBondContact O-CD 3.43Å; P864-A868 WeakPolarHBondContact O-CB 3.5Å; P864-A868 PolarHBondContact O-N 2.97Å
865	T	93.9	Very high	93.4	Very high	68 Å²	68	40.3 Å²	40.3	42%	0.417	22%	0.222	S	C	.	.	H	α-helix	trans	-73	-44.6	176.6	-55.6	0	0	0	0	111.5	L772 M862 F863 A868 Q869	L772-T865 HydrophobicContact CD2-CG2 3.56Å; M862-T865 PolarHBondContact O-N 2.74Å; M862-T865 VanDerWaalsContact O-N 3.16Å; F863-T865 PolarHBondContact O-N 3.29Å; T865-A868 PolarHBondContact O-N 2.98Å; T865-Q869 HydrophobicContact CG2-CG 4.34Å; T865-Q869 VanDerWaalsContact CG2-NE2 3.3Å; T865-Q869 VanDerWaalsContact O-CB 3.31Å; T865-Q869 WeakPolarHBondContact O-CB 3.48Å; T865-Q869 VanDerWaalsContact O-CG 3.23Å; T865-Q869 WeakPolarHBondContact O-CG 3.29Å; T865-Q869 PolarHBondContact O-N 2.9Å
866	L	94.7	Very high	93.3	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-62.6	-45.8	175.5	-77.3	169.5	0	0	0	111.8	L772 F773 V776 M862 F863 A868 Q869 Q870 W872 C938	L772-L866 HydrophobicContact CB-CD2 3.84Å; L772-L866 HydrophobicContact CD2-CD2 3.78Å; L772-L866 HydrophobicContact CD2-CG 3.73Å; L772-L866 HydrophobicContact CG-CD1 4.47Å; L772-L866 HydrophobicContact CG-CD2 3.82Å; L772-L866 HydrophobicContact CG-CG 3.96Å; F773-L866 HydrophobicContact CD1-CD1 4.16Å; F773-L866 HydrophobicContact CD1-CD2 4.09Å; F773-L866 HydrophobicContact CD2-CD2 4.4Å; F773-L866 HydrophobicContact CE1-CD1 4.13Å; F773-L866 HydrophobicContact CE1-CD2 3.89Å; F773-L866 HydrophobicContact CE2-CD2 4.19Å; F773-L866 HydrophobicContact CG-CD2 4.34Å; F773-L866 HydrophobicContact CZ-CD2 3.94Å; V776-L866 HydrophobicContact CG2-CD1 4.13Å; M862-L866 PolarHBondContact O-N 2.7Å; M862-L866 VanDerWaalsContact O-N 3.11Å; F863-L866 PolarHBondContact O-N 3.47Å; L866-A868 VanDerWaalsContact C-N 3.33Å; L866-A868 PolarHBondContact O-N 3.01Å; L866-Q869 PolarHBondContact O-N 3.21Å; L866-Q869 VanDerWaalsContact O-N 3.15Å; L866-Q870 WeakPolarHBondContact O-CB 3.43Å; L866-Q870 WeakPolarHBondContact O-CG 3.19Å; L866-Q870 PolarHBondContact O-N 3.12Å; L866-W872 HydrophobicContact CB-CH2 3.93Å; L866-W872 HydrophobicContact CB-CZ3 3.95Å; L866-C938 HydrophobicContact CD1-CB 4.16Å; L866-C938 WeakPolarHBondContact CD1-SG 3.15Å
867	L	94	Very high	93.1	Very high	19 Å²	19	50.9 Å²	50.9	10%	0.099	27%	0.273	C	S	.	.	H	α-helix	trans	-53	-49	176.8	-179.8	66.5	0	0	0	111.8	F863 G871 W872 L873 W910	F863-L867 HydrophobicContact CD1-CB 4.3Å; F863-L867 HydrophobicContact CE1-CB 4Å; F863-L867 HydrophobicContact CE1-CD1 4.14Å; F863-L867 HydrophobicContact CE1-CD2 4.01Å; F863-L867 HydrophobicContact CE1-CG 4.27Å; F863-L867 HydrophobicContact CZ-CB 4.44Å; F863-L867 HydrophobicContact CZ-CD1 4.24Å; F863-L867 VanDerWaalsContact O-CB 3.22Å; F863-L867 WeakPolarHBondContact O-CB 3.23Å; F863-L867 PolarHBondContact O-N 3.29Å; L867-G871 PolarHBondContact O-N 3.29Å; L867-W872 HydrophobicContact CB-CE3 4.36Å; L867-W872 HydrophobicContact CD1-CB 4.18Å; L867-W872 HydrophobicContact CD1-CE3 4.03Å; L867-L873 HydrophobicContact CD1-CD1 4.02Å; L867-L873 HydrophobicContact CD1-CG 3.99Å; L867-W910 HydrophobicContact CD2-CB 4.03Å; L867-W910 HydrophobicContact CD2-CD2 4.03Å; L867-W910 HydrophobicContact CD2-CE3 4.19Å; L867-W910 HydrophobicContact CD2-CG 3.93Å
868	A	92.8	Very high	93	Very high	76 Å²	76	46.9 Å²	46.9	63%	0.628	26%	0.256	S	S	*	.	H	α-helix	trans	-72.4	-33.2	178.6	0	0	0	0	0	113.5	P864 T865 L866	P864-A868 WeakPolarHBondContact O-CB 3.5Å; P864-A868 PolarHBondContact O-N 2.97Å; T865-A868 PolarHBondContact O-N 2.98Å; L866-A868 VanDerWaalsContact C-N 3.33Å; L866-A868 PolarHBondContact O-N 3.01Å
869	Q	93.8	Very high	92.9	Very high	61 Å²	61	44.7 Å²	44.7	29%	0.285	25%	0.247	S	C	.	.	H	α-helix	trans	-80.5	-31.3	-177.9	-74	-179	7.3	0	0	113.7	K769 T865 L866	K769-Q869 VanDerWaalsContact CA-OE1 3.3Å; K769-Q869 HydrophobicContact CB-CB 4.28Å; K769-Q869 HydrophobicContact CD-CB 4.24Å; K769-Q869 HydrophobicContact CG-CB 4.14Å; K769-Q869 HydrophobicContact CG-CG 4.27Å; K769-Q869 PolarHBondContact NZ-O 3.27Å; K769-Q869 PolarHBondContact O-OE1 3Å; T865-Q869 HydrophobicContact CG2-CG 4.34Å; T865-Q869 VanDerWaalsContact CG2-NE2 3.3Å; T865-Q869 VanDerWaalsContact O-CB 3.31Å; T865-Q869 WeakPolarHBondContact O-CB 3.48Å; T865-Q869 VanDerWaalsContact O-CG 3.23Å; T865-Q869 WeakPolarHBondContact O-CG 3.29Å; T865-Q869 PolarHBondContact O-N 2.9Å; L866-Q869 PolarHBondContact O-N 3.21Å; L866-Q869 VanDerWaalsContact O-N 3.15Å
870	Q	95.2	Very high	92.7	Very high	2 Å²	2	47.8 Å²	47.8	1%	0.009	26%	0.263	C	S	.	.	H	α-helix	trans	-97.1	-10.8	179.8	-55	-60.6	-34.4	0	0	113.2	T759 C760 K769 F773 L866 W872	T759-Q870 WeakPolarHBondContact CB-O 3.08Å; T759-Q870 VanDerWaalsContact CG2-O 3.29Å; T759-Q870 WeakPolarHBondContact CG2-O 3.28Å; T759-Q870 VanDerWaalsContact OG1-C 3.29Å; T759-Q870 WeakPolarHBondContact OG1-CA 3.35Å; T759-Q870 PolarHBondContact OG1-O 3.4Å; T759-Q870 PolarHBondContact OG1-OE1 3.49Å; C760-Q870 PolarHBondContact SG-NE2 3.44Å; K769-Q870 PolarHBondContact O-NE2 2.99Å; F773-Q870 HydrophobicContact CE2-CG 4.19Å; F773-Q870 HydrophobicContact CZ-CG 3.92Å; L866-Q870 WeakPolarHBondContact O-CB 3.43Å; L866-Q870 WeakPolarHBondContact O-CG 3.19Å; L866-Q870 PolarHBondContact O-N 3.12Å; Q870-W872 VanDerWaalsContact C-N 3.3Å; Q870-W872 HydrophobicContact CB-CD2 4.03Å; Q870-W872 HydrophobicContact CB-CG 4.34Å; Q870-W872 HydrophobicContact CB-CZ2 4.04Å; Q870-W872 HydrophobicContact CG-CH2 4.45Å; Q870-W872 HydrophobicContact CG-CZ2 4.01Å; Q870-W872 PolarHBondContact O-N 2.94Å
871	G	93.7	Very high	92.5	Very high	4 Å²	4	50.7 Å²	50.7	4%	0.041	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	62.9	31.6	170.5	0	0	0	0	0	114.5	L867 L873 D874 N878	L867-G871 PolarHBondContact O-N 3.29Å; G871-L873 PolarHBondContact O-N 3.26Å; G871-L873 VanDerWaalsContact O-N 3.11Å; G871-D874 WeakPolarHBondContact CA-OD1 3.46Å; G871-D874 WeakPolarHBondContact CA-OD2 3.45Å; G871-D874 WeakPolarHBondContact O-CB 3.43Å; G871-D874 PolarHBondContact O-N 3.47Å; G871-D874 VanDerWaalsContact O-N 3.08Å; G871-N878 PolarHBondContact O-ND2 3.34Å
872	W	94.8	Very high	92.3	Very high	10 Å²	10	46.6 Å²	46.6	4%	0.038	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-22.2	-174.6	-67.8	-43.2	0	0	0	114.3	V757 F773 F863 L866 L867 Q870 N878 W879 I882 L937	V757-W872 HydrophobicContact CB-CZ2 4.44Å; V757-W872 PolarHBondContact O-NE1 3.14Å; F773-W872 AromaticContact CE1-CH2 3.96Å; F773-W872 HydrophobicContact CE1-CH2 3.96Å; F773-W872 AromaticContact CE1-CZ2 3.97Å; F773-W872 HydrophobicContact CE1-CZ2 3.97Å; F773-W872 HydrophobicContact CZ-CH2 4.07Å; F773-W872 AromaticContact CZ-CZ2 3.73Å; F773-W872 HydrophobicContact CZ-CZ2 3.73Å; F863-W872 HydrophobicContact CD2-CZ3 4.21Å; F863-W872 HydrophobicContact CE2-CE3 4.12Å; F863-W872 HydrophobicContact CE2-CH2 4.5Å; F863-W872 AromaticContact CE2-CZ3 3.58Å; F863-W872 HydrophobicContact CE2-CZ3 3.58Å; F863-W872 HydrophobicContact CZ-CE3 4.15Å; F863-W872 HydrophobicContact CZ-CZ3 4.05Å; L866-W872 HydrophobicContact CB-CH2 3.93Å; L866-W872 HydrophobicContact CB-CZ3 3.95Å; L867-W872 HydrophobicContact CB-CE3 4.36Å; L867-W872 HydrophobicContact CD1-CB 4.18Å; L867-W872 HydrophobicContact CD1-CE3 4.03Å; Q870-W872 VanDerWaalsContact C-N 3.3Å; Q870-W872 HydrophobicContact CB-CD2 4.03Å; Q870-W872 HydrophobicContact CB-CG 4.34Å; Q870-W872 HydrophobicContact CB-CZ2 4.04Å; Q870-W872 HydrophobicContact CG-CH2 4.45Å; Q870-W872 HydrophobicContact CG-CZ2 4.01Å; Q870-W872 PolarHBondContact O-N 2.94Å; W872-N878 CarbonylContact O-C 3.51Å; W872-N878 WeakPolarHBondContact O-CB 3.28Å; W872-W879 WeakPolarHBondContact O-CA 3.31Å; W872-W879 PolarHBondContact O-N 3.06Å; W872-I882 HydrophobicContact CB-CD1 4.14Å; W872-I882 HydrophobicContact CB-CG1 4.31Å; W872-I882 HydrophobicContact CG-CD1 4.45Å; W872-L937 HydrophobicContact CD2-CD1 4.15Å; W872-L937 HydrophobicContact CD2-CD2 4.31Å; W872-L937 HydrophobicContact CE3-CD1 3.83Å; W872-L937 HydrophobicContact CH2-CB 3.67Å; W872-L937 HydrophobicContact CH2-CD1 4.36Å; W872-L937 HydrophobicContact CH2-CG 4.43Å; W872-L937 HydrophobicContact CZ2-CB 3.92Å; W872-L937 HydrophobicContact CZ2-CD2 4.14Å; W872-L937 HydrophobicContact CZ2-CG 4.44Å; W872-L937 HydrophobicContact CZ3-CB 4.04Å; W872-L937 HydrophobicContact CZ3-CD1 3.97Å
873	L	95	Very high	92.2	Very high	2 Å²	2	46.1 Å²	46.1	1%	0.01	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.9	15.4	178.1	-62.5	-178.6	0	0	0	113	L867 G871 W879 I882 F900 P906 R909 W910	L867-L873 HydrophobicContact CD1-CD1 4.02Å; L867-L873 HydrophobicContact CD1-CG 3.99Å; G871-L873 PolarHBondContact O-N 3.26Å; G871-L873 VanDerWaalsContact O-N 3.11Å; L873-W879 HydrophobicContact CD2-CB 3.73Å; L873-I882 HydrophobicContact CD2-CB 4.45Å; L873-I882 HydrophobicContact CD2-CG1 4.1Å; L873-I882 HydrophobicContact CD2-CG2 4.49Å; L873-F900 HydrophobicContact CD2-CD2 4.37Å; L873-F900 HydrophobicContact CD2-CE1 4.46Å; L873-F900 HydrophobicContact CD2-CE2 3.57Å; L873-F900 HydrophobicContact CD2-CZ 3.61Å; L873-P906 HydrophobicContact CB-CB 3.98Å; L873-R909 HydrophobicContact CB-CB 4.43Å; L873-R909 HydrophobicContact CD1-CB 4Å; L873-R909 PolarHBondContact O-NH1 3.43Å; L873-W910 HydrophobicContact CD1-CB 3.99Å; L873-W910 HydrophobicContact CD1-CE3 4.11Å
874	D	92.4	Very high	91.9	Very high	86 Å²	86	53 Å²	53	46%	0.46	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76	-37.6	-176.4	-69.3	3.7	0	0	0	112.9	G871 P906	G871-D874 WeakPolarHBondContact CA-OD1 3.46Å; G871-D874 WeakPolarHBondContact CA-OD2 3.45Å; G871-D874 WeakPolarHBondContact O-CB 3.43Å; G871-D874 PolarHBondContact O-N 3.47Å; G871-D874 VanDerWaalsContact O-N 3.08Å; D874-P906 VanDerWaalsContact OD1-CG 3.26Å; D874-P906 WeakPolarHBondContact OD1-CG 3.27Å
875	N	90.5	Very high	91.5	Very high	62 Å²	62	51.3 Å²	51.3	33%	0.332	26%	0.261	S	S	.	.	S	Bend	trans	-144.5	164.7	-174.2	66.5	68.1	0	0	0	111.8	D877 N878 W879	N875-D877 PolarHBondContact O-N 3.01Å; N875-D877 PolarHBondContact OD1-N 3.41Å; N875-D877 VanDerWaalsContact OD1-N 3.16Å; N875-N878 PolarHBondContact ND2-ND2 2.88Å; N875-N878 VanDerWaalsContact ND2-ND2 3.18Å; N875-N878 PolarHBondContact O-N 3.21Å; N875-N878 PolarHBondContact OD1-N 3.43Å; N875-W879 VanDerWaalsContact C-CZ3 3.4Å; N875-W879 VanDerWaalsContact O-CD2 3.31Å; N875-W879 PolarHBondContact O-N 3.12Å
876	K	91.5	Very high	91.1	Very high	99 Å²	99	48.2 Å²	48.2	43%	0.43	24%	0.242	S	C	.	.	H	α-helix	trans	-62	-37.8	-174.3	-173.6	158.2	177.2	166.8	0	113.5	N878 W879 I880 E901	K876-N878 VanDerWaalsContact C-N 3.31Å; K876-N878 PolarHBondContact O-N 2.8Å; K876-W879 VanDerWaalsContact CA-CE2 3.49Å; K876-W879 HydrophobicContact CB-CH2 4.4Å; K876-W879 HydrophobicContact CB-CZ2 3.87Å; K876-W879 HydrophobicContact CG-CZ2 4.3Å; K876-I880 HydrophobicContact CG-CD1 3.69Å; K876-I880 HydrophobicContact CG-CG1 4.23Å; K876-I880 VanDerWaalsContact O-CB 3.3Å; K876-I880 WeakPolarHBondContact O-CB 3.48Å; K876-I880 WeakPolarHBondContact O-CD1 3.43Å; K876-I880 WeakPolarHBondContact O-CG1 3.37Å; K876-I880 PolarHBondContact O-N 3.26Å; K876-E901 IonicContact NZ-OE1 2.8Å; K876-E901 PolarHBondContact NZ-OE1 2.92Å
877	D	88.3	Confident	90.3	Very high	125 Å²	125	51.2 Å²	51.2	67%	0.668	26%	0.261	S	S	*	.	H	α-helix	trans	-66.8	-34.4	179.6	-58.2	-38.8	0	0	0	112.1	N875	N875-D877 PolarHBondContact O-N 3.01Å; N875-D877 PolarHBondContact OD1-N 3.41Å; N875-D877 VanDerWaalsContact OD1-N 3.16Å
878	N	90.6	Very high	89.4	Confident	28 Å²	28	51.7 Å²	51.7	15%	0.15	26%	0.264	C	S	.	.	H	α-helix	trans	-74.2	-52.5	174.8	-73.3	-4.2	0	0	0	111.6	G871 W872 N875 K876 I880 R881	G871-N878 PolarHBondContact O-ND2 3.34Å; W872-N878 CarbonylContact O-C 3.51Å; W872-N878 WeakPolarHBondContact O-CB 3.28Å; N875-N878 PolarHBondContact ND2-ND2 2.88Å; N875-N878 VanDerWaalsContact ND2-ND2 3.18Å; N875-N878 PolarHBondContact O-N 3.21Å; N875-N878 PolarHBondContact OD1-N 3.43Å; K876-N878 VanDerWaalsContact C-N 3.31Å; K876-N878 PolarHBondContact O-N 2.8Å; N878-I880 VanDerWaalsContact C-N 3.28Å; N878-I880 PolarHBondContact O-N 2.69Å; N878-R881 VanDerWaalsContact O-CB 3.27Å; N878-R881 WeakPolarHBondContact O-CB 3.05Å; N878-R881 PolarHBondContact O-N 2.67Å
879	W	92	Very high	88.3	Confident	22 Å²	22	53.4 Å²	53.4	8%	0.083	26%	0.259	C	S	.	.	H	α-helix	trans	-71.8	-20.6	-174.8	72.9	58.9	0	0	0	113.7	W872 L873 N875 K876 R881 I882 L883 F900 R909	W872-W879 WeakPolarHBondContact O-CA 3.31Å; W872-W879 PolarHBondContact O-N 3.06Å; L873-W879 HydrophobicContact CD2-CB 3.73Å; N875-W879 VanDerWaalsContact C-CZ3 3.4Å; N875-W879 VanDerWaalsContact O-CD2 3.31Å; N875-W879 PolarHBondContact O-N 3.12Å; K876-W879 VanDerWaalsContact CA-CE2 3.49Å; K876-W879 HydrophobicContact CB-CH2 4.4Å; K876-W879 HydrophobicContact CB-CZ2 3.87Å; K876-W879 HydrophobicContact CG-CZ2 4.3Å; W879-R881 PolarHBondContact O-N 2.66Å; W879-I882 WeakPolarHBondContact O-CB 3.45Å; W879-I882 PolarHBondContact O-N 3.46Å; W879-I882 VanDerWaalsContact O-N 3.09Å; W879-L883 WeakPolarHBondContact O-CG 3.4Å; W879-L883 PolarHBondContact O-N 2.94Å; W879-F900 HydrophobicContact CB-CD2 3.74Å; W879-F900 HydrophobicContact CB-CE2 3.9Å; W879-F900 AromaticContact CD1-CD2 3.64Å; W879-F900 HydrophobicContact CD2-CB 4.44Å; W879-F900 HydrophobicContact CD2-CD2 4.38Å; W879-F900 HydrophobicContact CG-CB 4.46Å; W879-F900 AromaticContact CG-CD2 3.68Å; W879-F900 HydrophobicContact CG-CD2 3.68Å; W879-F900 HydrophobicContact CG-CE2 4.34Å; W879-F900 HydrophobicContact CG-CG 4.46Å; W879-R909 VanDerWaalsContact CZ3-NE 3.26Å
880	I	90.2	Very high	87.3	Confident	65 Å²	65	57.6 Å²	57.6	33%	0.333	28%	0.283	S	S	.	.	H	α-helix	trans	-59.1	-31.2	167.4	-78.5	168.6	0	0	0	111.5	K876 N878 K884	K876-I880 HydrophobicContact CG-CD1 3.69Å; K876-I880 HydrophobicContact CG-CG1 4.23Å; K876-I880 VanDerWaalsContact O-CB 3.3Å; K876-I880 WeakPolarHBondContact O-CB 3.48Å; K876-I880 WeakPolarHBondContact O-CD1 3.43Å; K876-I880 WeakPolarHBondContact O-CG1 3.37Å; K876-I880 PolarHBondContact O-N 3.26Å; N878-I880 VanDerWaalsContact C-N 3.28Å; N878-I880 PolarHBondContact O-N 2.69Å; I880-K884 WeakPolarHBondContact O-CG 3.35Å; I880-K884 PolarHBondContact O-N 3.02Å
881	R	88.4	Confident	86.7	Confident	131 Å²	131	61 Å²	61	49%	0.494	31%	0.307	S	S	.	.	H	α-helix	trans	-67.5	-41	173.4	-53.6	-175.9	-172.4	-163.9	3	111.1	D756 N878 W879 K884	D756-R881 PolarHBondContact O-NH1 3.28Å; D756-R881 VanDerWaalsContact O-NH1 3.17Å; N878-R881 VanDerWaalsContact O-CB 3.27Å; N878-R881 WeakPolarHBondContact O-CB 3.05Å; N878-R881 PolarHBondContact O-N 2.67Å; W879-R881 PolarHBondContact O-N 2.66Å; R881-K884 WeakPolarHBondContact O-CB 3.48Å; R881-K884 PolarHBondContact O-N 2.87Å
882	I	88.6	Confident	86.4	Confident	4 Å²	4	61 Å²	61	2%	0.021	31%	0.307	C	S	.	.	H	α-helix	trans	-63.3	-43.7	175.7	-54.4	-52	0	0	0	111.3	W872 L873 W879 K884 L885 F900 I933 L937	W872-I882 HydrophobicContact CB-CD1 4.14Å; W872-I882 HydrophobicContact CB-CG1 4.31Å; W872-I882 HydrophobicContact CG-CD1 4.45Å; L873-I882 HydrophobicContact CD2-CB 4.45Å; L873-I882 HydrophobicContact CD2-CG1 4.1Å; L873-I882 HydrophobicContact CD2-CG2 4.49Å; W879-I882 WeakPolarHBondContact O-CB 3.45Å; W879-I882 PolarHBondContact O-N 3.46Å; W879-I882 VanDerWaalsContact O-N 3.09Å; I882-K884 PolarHBondContact O-N 3Å; I882-L885 HydrophobicContact CD1-CD1 4.38Å; I882-L885 WeakPolarHBondContact O-CB 3.47Å; I882-L885 PolarHBondContact O-N 2.69Å; I882-F900 HydrophobicContact CG2-CE2 4.43Å; I882-I933 HydrophobicContact CG2-CD1 4.2Å; I882-I933 HydrophobicContact CG2-CG2 4.1Å; I882-L937 HydrophobicContact CD1-CD1 3.73Å; I882-L937 HydrophobicContact CD1-CD2 3.86Å; I882-L937 HydrophobicContact CD1-CG 4.35Å
883	L	89.6	Confident	86.1	Confident	15 Å²	15	62.2 Å²	62.2	8%	0.079	31%	0.312	C	S	.	.	H	α-helix	trans	-58.8	-32.2	176.8	-69.9	173.5	0	0	0	112.7	W879 L885 I886 K893 V896 A897 F900	W879-L883 WeakPolarHBondContact O-CG 3.4Å; W879-L883 PolarHBondContact O-N 2.94Å; L883-L885 PolarHBondContact O-N 3Å; L883-I886 HydrophobicContact CD2-CD1 4.05Å; L883-I886 PolarHBondContact O-N 3.49Å; L883-K893 HydrophobicContact CB-CG 4.32Å; L883-K893 HydrophobicContact CD2-CG 4.29Å; L883-K893 WeakPolarHBondContact O-CD 3.17Å; L883-K893 WeakPolarHBondContact O-CE 3.4Å; L883-V896 HydrophobicContact CD2-CB 4.1Å; L883-V896 HydrophobicContact CD2-CG1 3.61Å; L883-A897 HydrophobicContact CD1-CB 3.85Å; L883-A897 HydrophobicContact CD2-CB 4.04Å; L883-F900 HydrophobicContact CD2-CD2 4.12Å; L883-F900 HydrophobicContact CD2-CE2 4.19Å; L883-F900 HydrophobicContact CG-CD2 4.24Å; L883-F900 HydrophobicContact CG-CE2 4.35Å
884	K	86.5	Confident	85.8	Confident	149 Å²	149	64.6 Å²	64.6	65%	0.648	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.4	-14.4	175.8	-69.4	173.2	-178.3	-176.5	0	114.1	I880 R881 I882	I880-K884 WeakPolarHBondContact O-CG 3.35Å; I880-K884 PolarHBondContact O-N 3.02Å; R881-K884 WeakPolarHBondContact O-CB 3.48Å; R881-K884 PolarHBondContact O-N 2.87Å; I882-K884 PolarHBondContact O-N 3Å
885	L	85.1	Confident	85.7	Confident	50 Å²	50	63.1 Å²	63.1	26%	0.262	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.9	-11.3	177	-56	174.1	0	0	0	112.5	I882 L883 P887 I933 L937	I882-L885 HydrophobicContact CD1-CD1 4.38Å; I882-L885 WeakPolarHBondContact O-CB 3.47Å; I882-L885 PolarHBondContact O-N 2.69Å; L883-L885 PolarHBondContact O-N 3Å; L885-P887 WeakPolarHBondContact O-CD 3.49Å; L885-I933 HydrophobicContact CB-CG1 4.02Å; L885-I933 HydrophobicContact CD1-CG1 4.46Å; L885-I933 HydrophobicContact CD1-CG2 4.4Å; L885-L937 HydrophobicContact CD1-CD2 4.31Å; L885-L937 HydrophobicContact CD1-CG 4.34Å
886	I	84.8	Confident	85.8	Confident	2 Å²	2	60.2 Å²	60.2	1%	0.01	31%	0.313	C	S	.	.			trans	-81.1	117.6	178.8	-58	175.6	0	0	0	108.6	L883 D888 V892 K893 V896 F929 I933	L883-I886 HydrophobicContact CD2-CD1 4.05Å; L883-I886 PolarHBondContact O-N 3.49Å; I886-D888 VanDerWaalsContact C-N 3.28Å; I886-D888 PolarHBondContact O-N 3.47Å; I886-V892 HydrophobicContact CG2-CB 4.11Å; I886-V892 HydrophobicContact CG2-CG1 3.94Å; I886-K893 HydrophobicContact CB-CB 4.08Å; I886-K893 HydrophobicContact CB-CG 4.35Å; I886-K893 HydrophobicContact CD1-CB 4.47Å; I886-K893 HydrophobicContact CG2-CB 3.87Å; I886-V896 HydrophobicContact CD1-CB 3.89Å; I886-V896 HydrophobicContact CD1-CG1 3.85Å; I886-V896 HydrophobicContact CD1-CG2 3.95Å; I886-F929 HydrophobicContact CG1-CD2 4.36Å; I886-I933 HydrophobicContact CG1-CD1 4.17Å
887	P	77.6	Confident	85.8	Confident	63 Å²	63	56.9 Å²	56.9	41%	0.409	30%	0.304	S	S	.	.	S	Bend	trans	-72.2	-13.4	-172.1	-21.9	34.7	0	0	0	116.2	L885	L885-P887 WeakPolarHBondContact O-CD 3.49Å
888	D	76.7	Confident	86	Confident	29 Å²	29	58.3 Å²	58.3	16%	0.155	30%	0.304	C	S	.	.			trans	-109.6	103.5	-177.3	-178.4	81	0	0	0	109.7	I886 S891 V892 K893 C926	I886-D888 VanDerWaalsContact C-N 3.28Å; I886-D888 PolarHBondContact O-N 3.47Å; D888-S891 WeakPolarHBondContact OD2-CA 3.49Å; D888-S891 VanDerWaalsContact OD2-CB 3.3Å; D888-S891 WeakPolarHBondContact OD2-CB 3.44Å; D888-S891 PolarHBondContact OD2-N 3.23Å; D888-V892 HydrophobicContact CB-CB 4.17Å; D888-V892 HydrophobicContact CB-CG2 4.13Å; D888-V892 PolarHBondContact OD2-N 2.97Å; D888-K893 WeakPolarHBondContact O-CB 3.24Å; D888-K893 PolarHBondContact O-N 2.95Å; D888-C926 WeakPolarHBondContact CB-SG 3.19Å
889	E	68.7	Low	86.1	Confident	112 Å²	112	58.4 Å²	58.4	52%	0.523	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-39.2	-177.7	-68.7	-71.7	144.6	0	0	112.4	K893	E889-K893 IonicContact OE1-NZ 3.21Å; E889-K893 PolarHBondContact OE1-NZ 3.33Å; E889-K893 WeakPolarHBondContact OE2-CD 3.22Å; E889-K893 WeakPolarHBondContact OE2-CE 3.42Å; E889-K893 IonicContact OE2-NZ 2.89Å; E889-K893 PolarHBondContact OE2-NZ 3.08Å
890	D	72.7	Confident	86.2	Confident	149 Å²	149	57.4 Å²	57.4	80%	0.797	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.4	-32.1	-160.7	-63.7	-41.4	0	0	0	114.5
891	S	83.2	Confident	86.4	Confident	73 Å²	73	60.3 Å²	60.3	51%	0.51	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116.3	-63.6	-177.3	-176.6	0	0	0	0	111.9	D888 S895	D888-S891 WeakPolarHBondContact OD2-CA 3.49Å; D888-S891 VanDerWaalsContact OD2-CB 3.3Å; D888-S891 WeakPolarHBondContact OD2-CB 3.44Å; D888-S891 PolarHBondContact OD2-N 3.23Å; S891-S895 WeakPolarHBondContact O-CB 3.45Å; S891-S895 PolarHBondContact O-N 3.39Å
892	V	86.6	Confident	86.6	Confident	4 Å²	4	61 Å²	61	2%	0.024	32%	0.32	C	S	.	.	H	α-helix	trans	-70.2	-51.1	-170.3	-174.6	0	0	0	0	110.5	I886 D888 A894 S895 V896 I916 L922 P923 C926	I886-V892 HydrophobicContact CG2-CB 4.11Å; I886-V892 HydrophobicContact CG2-CG1 3.94Å; D888-V892 HydrophobicContact CB-CB 4.17Å; D888-V892 HydrophobicContact CB-CG2 4.13Å; D888-V892 PolarHBondContact OD2-N 2.97Å; V892-A894 VanDerWaalsContact C-N 3.33Å; V892-A894 PolarHBondContact O-N 3.48Å; V892-S895 PolarHBondContact O-N 3.21Å; V892-V896 HydrophobicContact CG1-CG2 4.44Å; V892-V896 VanDerWaalsContact O-CG2 3.3Å; V892-V896 WeakPolarHBondContact O-CG2 3.46Å; V892-V896 PolarHBondContact O-N 3.32Å; V892-I916 HydrophobicContact CG1-CG2 4.2Å; V892-L922 HydrophobicContact CG1-CD2 4.23Å; V892-L922 HydrophobicContact CG2-CD2 3.73Å; V892-P923 HydrophobicContact CG2-CG 4.41Å; V892-C926 HydrophobicContact CG2-CB 4.06Å
893	K	89.1	Confident	86.8	Confident	37 Å²	37	63.4 Å²	63.4	16%	0.161	33%	0.33	C	S	.	.	H	α-helix	trans	-63.1	-39.1	178.9	-174.9	-175.4	179.9	-176.7	0	112.1	L883 I886 D888 E889 V896 A897	L883-K893 HydrophobicContact CB-CG 4.32Å; L883-K893 HydrophobicContact CD2-CG 4.29Å; L883-K893 WeakPolarHBondContact O-CD 3.17Å; L883-K893 WeakPolarHBondContact O-CE 3.4Å; I886-K893 HydrophobicContact CB-CB 4.08Å; I886-K893 HydrophobicContact CB-CG 4.35Å; I886-K893 HydrophobicContact CD1-CB 4.47Å; I886-K893 HydrophobicContact CG2-CB 3.87Å; D888-K893 WeakPolarHBondContact O-CB 3.24Å; D888-K893 PolarHBondContact O-N 2.95Å; E889-K893 IonicContact OE1-NZ 3.21Å; E889-K893 PolarHBondContact OE1-NZ 3.33Å; E889-K893 WeakPolarHBondContact OE2-CD 3.22Å; E889-K893 WeakPolarHBondContact OE2-CE 3.42Å; E889-K893 IonicContact OE2-NZ 2.89Å; E889-K893 PolarHBondContact OE2-NZ 3.08Å; K893-V896 PolarHBondContact O-N 3.18Å; K893-A897 VanDerWaalsContact O-CB 3.23Å; K893-A897 WeakPolarHBondContact O-CB 3.44Å; K893-A897 PolarHBondContact O-N 3.47Å
894	A	89.6	Confident	86.7	Confident	51 Å²	51	66.9 Å²	66.9	42%	0.421	36%	0.361	S	S	.	.	H	α-helix	trans	-63.4	-43.7	175.9	0	0	0	0	0	112	V892 A897 K898	V892-A894 VanDerWaalsContact C-N 3.33Å; V892-A894 PolarHBondContact O-N 3.48Å; A894-A897 PolarHBondContact O-N 3.45Å; A894-K898 PolarHBondContact O-N 3.13Å; A894-K898 VanDerWaalsContact O-N 3.14Å
895	S	89.8	Confident	87	Confident	56 Å²	56	61.6 Å²	61.6	39%	0.392	34%	0.343	S	S	.	.	H	α-helix	trans	-64.8	-45.8	175.8	-166.2	0	0	0	0	112.2	S891 V892 K898 D899	S891-S895 WeakPolarHBondContact O-CB 3.45Å; S891-S895 PolarHBondContact O-N 3.39Å; V892-S895 PolarHBondContact O-N 3.21Å; S895-K898 PolarHBondContact O-N 2.86Å; S895-D899 PolarHBondContact O-N 2.93Å; S895-D899 VanDerWaalsContact O-N 3.07Å
896	V	92.1	Very high	87.3	Confident	0 Å²	0	61.4 Å²	61.4	0%	0	35%	0.345	C	S	.	.	H	α-helix	trans	-62.1	-43.1	176.7	173.2	0	0	0	0	111.5	L883 I886 V892 K893 K898 D899 F900 L913 I916	L883-V896 HydrophobicContact CD2-CB 4.1Å; L883-V896 HydrophobicContact CD2-CG1 3.61Å; I886-V896 HydrophobicContact CD1-CB 3.89Å; I886-V896 HydrophobicContact CD1-CG1 3.85Å; I886-V896 HydrophobicContact CD1-CG2 3.95Å; V892-V896 HydrophobicContact CG1-CG2 4.44Å; V892-V896 VanDerWaalsContact O-CG2 3.3Å; V892-V896 WeakPolarHBondContact O-CG2 3.46Å; V892-V896 PolarHBondContact O-N 3.32Å; K893-V896 PolarHBondContact O-N 3.18Å; V896-K898 VanDerWaalsContact C-N 3.32Å; V896-K898 PolarHBondContact O-N 3.02Å; V896-D899 PolarHBondContact O-N 3.27Å; V896-F900 HydrophobicContact CG1-CD1 3.85Å; V896-F900 HydrophobicContact CG1-CD2 4.18Å; V896-F900 HydrophobicContact CG1-CE1 3.51Å; V896-F900 HydrophobicContact CG1-CE2 3.88Å; V896-F900 HydrophobicContact CG1-CG 4.19Å; V896-F900 HydrophobicContact CG1-CZ 3.55Å; V896-F900 WeakPolarHBondContact O-CB 3.3Å; V896-F900 WeakPolarHBondContact O-CD1 3.29Å; V896-F900 WeakPolarHBondContact O-CG 3.23Å; V896-F900 PolarHBondContact O-N 3.29Å; V896-L913 HydrophobicContact CB-CD2 4.16Å; V896-L913 HydrophobicContact CG1-CD2 3.32Å; V896-L913 HydrophobicContact CG2-CD2 3.64Å; V896-I916 HydrophobicContact CG2-CD1 3.61Å
897	A	92.4	Very high	87.6	Confident	29 Å²	29	64.5 Å²	64.5	24%	0.24	37%	0.371	C	S	.	.	H	α-helix	trans	-60.6	-42.1	178.7	0	0	0	0	0	111.9	L883 K893 A894 F900 E901	L883-A897 HydrophobicContact CD1-CB 3.85Å; L883-A897 HydrophobicContact CD2-CB 4.04Å; K893-A897 VanDerWaalsContact O-CB 3.23Å; K893-A897 WeakPolarHBondContact O-CB 3.44Å; K893-A897 PolarHBondContact O-N 3.47Å; A894-A897 PolarHBondContact O-N 3.45Å; A897-F900 PolarHBondContact O-N 3.5Å; A897-E901 PolarHBondContact O-N 3.06Å; A897-E901 VanDerWaalsContact O-N 3.1Å
898	K	92.4	Very high	88.4	Confident	155 Å²	155	64.9 Å²	64.9	67%	0.674	37%	0.369	S	S	*	.	H	α-helix	trans	-63.4	-42.1	175.7	-175.8	-178.9	-179.9	-178.5	0	112.3	A894 S895 V896 K902	A894-K898 PolarHBondContact O-N 3.13Å; A894-K898 VanDerWaalsContact O-N 3.14Å; S895-K898 PolarHBondContact O-N 2.86Å; V896-K898 VanDerWaalsContact C-N 3.32Å; V896-K898 PolarHBondContact O-N 3.02Å; K898-K902 WeakPolarHBondContact O-CB 3.42Å; K898-K902 PolarHBondContact O-N 2.87Å; K898-K902 VanDerWaalsContact O-N 3.09Å
899	D	93.1	Very high	89.2	Confident	31 Å²	31	64.3 Å²	64.3	17%	0.166	37%	0.365	C	S	.	.	H	α-helix	trans	-68.3	-38	175.8	-85.7	-13.1	0	0	0	112	S895 V896 E901 K902 F903	S895-D899 PolarHBondContact O-N 2.93Å; S895-D899 VanDerWaalsContact O-N 3.07Å; V896-D899 PolarHBondContact O-N 3.27Å; D899-E901 VanDerWaalsContact C-N 3.32Å; D899-E901 PolarHBondContact O-N 2.88Å; D899-K902 PolarHBondContact O-N 3.15Å; D899-K902 VanDerWaalsContact O-N 3.15Å; D899-F903 HydrophobicContact CB-CD2 3.91Å; D899-F903 HydrophobicContact CB-CE2 3.81Å; D899-F903 WeakPolarHBondContact O-CB 3.35Å; D899-F903 WeakPolarHBondContact O-CD2 3.48Å; D899-F903 PolarHBondContact O-N 3.3Å
900	F	94.1	Very high	90.5	Very high	0 Å²	0	60.5 Å²	60.5	0%	0	35%	0.346	C	S	.	.	H	α-helix	trans	-63.4	-35.1	176.3	-78.1	12	0	0	0	113.2	L873 W879 I882 L883 V896 A897 R909 L913	L873-F900 HydrophobicContact CD2-CD2 4.37Å; L873-F900 HydrophobicContact CD2-CE1 4.46Å; L873-F900 HydrophobicContact CD2-CE2 3.57Å; L873-F900 HydrophobicContact CD2-CZ 3.61Å; W879-F900 HydrophobicContact CB-CD2 3.74Å; W879-F900 HydrophobicContact CB-CE2 3.9Å; W879-F900 AromaticContact CD1-CD2 3.64Å; W879-F900 HydrophobicContact CD2-CB 4.44Å; W879-F900 HydrophobicContact CD2-CD2 4.38Å; W879-F900 HydrophobicContact CG-CB 4.46Å; W879-F900 AromaticContact CG-CD2 3.68Å; W879-F900 HydrophobicContact CG-CD2 3.68Å; W879-F900 HydrophobicContact CG-CE2 4.34Å; W879-F900 HydrophobicContact CG-CG 4.46Å; I882-F900 HydrophobicContact CG2-CE2 4.43Å; L883-F900 HydrophobicContact CD2-CD2 4.12Å; L883-F900 HydrophobicContact CD2-CE2 4.19Å; L883-F900 HydrophobicContact CG-CD2 4.24Å; L883-F900 HydrophobicContact CG-CE2 4.35Å; V896-F900 HydrophobicContact CG1-CD1 3.85Å; V896-F900 HydrophobicContact CG1-CD2 4.18Å; V896-F900 HydrophobicContact CG1-CE1 3.51Å; V896-F900 HydrophobicContact CG1-CE2 3.88Å; V896-F900 HydrophobicContact CG1-CG 4.19Å; V896-F900 HydrophobicContact CG1-CZ 3.55Å; V896-F900 WeakPolarHBondContact O-CB 3.3Å; V896-F900 WeakPolarHBondContact O-CD1 3.29Å; V896-F900 WeakPolarHBondContact O-CG 3.23Å; V896-F900 PolarHBondContact O-N 3.29Å; A897-F900 PolarHBondContact O-N 3.5Å; F900-R909 HydrophobicContact CD1-CB 3.77Å; F900-R909 HydrophobicContact CD1-CG 4.02Å; F900-R909 HydrophobicContact CE1-CB 3.85Å; F900-R909 VanDerWaalsContact CE1-O 3.32Å; F900-R909 WeakPolarHBondContact CE1-O 3.34Å; F900-R909 HydrophobicContact CG-CB 4.49Å; F900-R909 HydrophobicContact CG-CG 4.42Å; F900-R909 PolarHBondContact O-NE 3.48Å; F900-L913 HydrophobicContact CE1-CD2 3.65Å; F900-L913 HydrophobicContact CE1-CG 4.12Å; F900-L913 HydrophobicContact CZ-CD1 4.25Å; F900-L913 HydrophobicContact CZ-CD2 3.74Å; F900-L913 HydrophobicContact CZ-CG 4.21Å
901	E	93.6	Very high	91.4	Very high	127 Å²	127	60.6 Å²	60.6	59%	0.593	34%	0.335	S	S	*	.	H	α-helix	trans	-75.1	-30	172.8	-68.7	-167.5	155.6	0	0	113.3	K876 A897 D899	K876-E901 IonicContact NZ-OE1 2.8Å; K876-E901 PolarHBondContact NZ-OE1 2.92Å; A897-E901 PolarHBondContact O-N 3.06Å; A897-E901 VanDerWaalsContact O-N 3.1Å; D899-E901 VanDerWaalsContact C-N 3.32Å; D899-E901 PolarHBondContact O-N 2.88Å
902	K	93.6	Very high	91.9	Very high	144 Å²	144	57.2 Å²	57.2	63%	0.626	31%	0.311	S	S	*	.	H	α-helix	trans	-77	-44	179.2	175.7	-169.4	170.6	-163.9	0	112.9	K898 D899	K898-K902 WeakPolarHBondContact O-CB 3.42Å; K898-K902 PolarHBondContact O-N 2.87Å; K898-K902 VanDerWaalsContact O-N 3.09Å; D899-K902 PolarHBondContact O-N 3.15Å; D899-K902 VanDerWaalsContact O-N 3.15Å
903	F	92.2	Very high	92.2	Very high	55 Å²	55	57 Å²	57	24%	0.241	31%	0.31	C	S	.	.			trans	-81.7	138.9	-175.1	-70.5	-59.2	0	0	0	111.4	D899 D908 R909	D899-F903 HydrophobicContact CB-CD2 3.91Å; D899-F903 HydrophobicContact CB-CE2 3.81Å; D899-F903 WeakPolarHBondContact O-CB 3.35Å; D899-F903 WeakPolarHBondContact O-CD2 3.48Å; D899-F903 PolarHBondContact O-N 3.3Å; F903-D908 HydrophobicContact CB-CB 3.77Å; F903-D908 HydrophobicContact CD1-CB 3.8Å; F903-D908 HydrophobicContact CG-CB 3.84Å; F903-R909 HydrophobicContact CB-CG 3.99Å; F903-R909 VanDerWaalsContact O-CZ 3.26Å; F903-R909 PolarHBondContact O-NE 3.07Å; F903-R909 PolarHBondContact O-NH2 3.26Å
904	A	87.9	Confident	92.3	Very high	89 Å²	89	59.4 Å²	59.4	74%	0.736	32%	0.322	S	S	*	.			trans	-85.7	-41	-176.1	0	0	0	0	0	113	R909	A904-R909 PolarHBondContact O-NH1 3.27Å; A904-R909 PolarHBondContact O-NH2 2.72Å
905	S	91.5	Very high	92.4	Very high	38 Å²	38	62.2 Å²	62.2	27%	0.266	33%	0.329	S	S	.	.	S	Bend	trans	-94.2	149	-175.2	87	0	0	0	0	113	A907 D908 R909	S905-A907 PolarHBondContact O-N 3.02Å; S905-A907 PolarHBondContact OG-N 3.33Å; S905-D908 WeakPolarHBondContact CB-OD2 3.47Å; S905-D908 PolarHBondContact O-N 3.34Å; S905-D908 PolarHBondContact OG-N 3.14Å; S905-D908 PolarHBondContact OG-OD2 2.9Å; S905-R909 WeakPolarHBondContact O-CG 3.37Å; S905-R909 PolarHBondContact O-N 3.42Å; S905-R909 VanDerWaalsContact O-N 3.15Å
906	P	91.9	Very high	92.4	Very high	45 Å²	45	60.6 Å²	60.6	29%	0.292	32%	0.316	S	S	.	.	H	α-helix	trans	-56.7	-33.4	171.7	-26.7	36.1	0	0	0	113.6	L873 D874 R909 W910	L873-P906 HydrophobicContact CB-CB 3.98Å; D874-P906 VanDerWaalsContact OD1-CG 3.26Å; D874-P906 WeakPolarHBondContact OD1-CG 3.27Å; P906-R909 PolarHBondContact O-N 3.03Å; P906-W910 PolarHBondContact O-N 2.68Å
907	A	91.7	Very high	92.1	Very high	68 Å²	68	63.5 Å²	63.5	56%	0.562	33%	0.329	S	S	*	.	H	α-helix	trans	-68.4	-41.9	178.1	0	0	0	0	0	112.3	S905 R909 W910 R911	S905-A907 PolarHBondContact O-N 3.02Å; S905-A907 PolarHBondContact OG-N 3.33Å; A907-R909 VanDerWaalsContact C-N 3.34Å; A907-W910 PolarHBondContact O-N 3.23Å; A907-R911 WeakPolarHBondContact O-CB 3.35Å; A907-R911 PolarHBondContact O-N 2.61Å
908	D	92.9	Very high	91.9	Very high	70 Å²	70	65.5 Å²	65.5	37%	0.374	35%	0.346	S	S	.	.	H	α-helix	trans	-66.1	-38	175.6	-61.7	-50.2	0	0	0	111.4	F903 S905 R911 S912	F903-D908 HydrophobicContact CB-CB 3.77Å; F903-D908 HydrophobicContact CD1-CB 3.8Å; F903-D908 HydrophobicContact CG-CB 3.84Å; S905-D908 WeakPolarHBondContact CB-OD2 3.47Å; S905-D908 PolarHBondContact O-N 3.34Å; S905-D908 PolarHBondContact OG-N 3.14Å; S905-D908 PolarHBondContact OG-OD2 2.9Å; D908-R911 PolarHBondContact O-N 2.68Å; D908-S912 PolarHBondContact O-N 2.99Å
909	R	94.8	Very high	91.5	Very high	17 Å²	17	61.2 Å²	61.2	6%	0.064	34%	0.336	C	S	.	.	H	α-helix	trans	-62.9	-43	173.3	-65.8	-175.5	-168.8	101.1	13.3	111.9	L873 W879 F900 F903 A904 S905 P906 A907 S912	L873-R909 HydrophobicContact CB-CB 4.43Å; L873-R909 HydrophobicContact CD1-CB 4Å; L873-R909 PolarHBondContact O-NH1 3.43Å; W879-R909 VanDerWaalsContact CZ3-NE 3.26Å; F900-R909 HydrophobicContact CD1-CB 3.77Å; F900-R909 HydrophobicContact CD1-CG 4.02Å; F900-R909 HydrophobicContact CE1-CB 3.85Å; F900-R909 VanDerWaalsContact CE1-O 3.32Å; F900-R909 WeakPolarHBondContact CE1-O 3.34Å; F900-R909 HydrophobicContact CG-CB 4.49Å; F900-R909 HydrophobicContact CG-CG 4.42Å; F900-R909 PolarHBondContact O-NE 3.48Å; F903-R909 HydrophobicContact CB-CG 3.99Å; F903-R909 VanDerWaalsContact O-CZ 3.26Å; F903-R909 PolarHBondContact O-NE 3.07Å; F903-R909 PolarHBondContact O-NH2 3.26Å; A904-R909 PolarHBondContact O-NH1 3.27Å; A904-R909 PolarHBondContact O-NH2 2.72Å; S905-R909 WeakPolarHBondContact O-CG 3.37Å; S905-R909 PolarHBondContact O-N 3.42Å; S905-R909 VanDerWaalsContact O-N 3.15Å; P906-R909 PolarHBondContact O-N 3.03Å; A907-R909 VanDerWaalsContact C-N 3.34Å; R909-S912 PolarHBondContact O-N 2.88Å; R909-S912 PolarHBondContact O-OG 3.46Å
910	W	94.5	Very high	90.2	Very high	32 Å²	32	68.2 Å²	68.2	12%	0.121	37%	0.367	C	S	.	.	H	α-helix	trans	-64	-45.6	174.8	-175.2	-99.9	0	0	0	111.5	F863 L867 L873 P906 A907 S912 L913 E914 I930 I933 V934	F863-W910 AromaticContact CD1-CH2 3.94Å; F863-W910 HydrophobicContact CD1-CH2 3.94Å; F863-W910 AromaticContact CD1-CZ2 3.88Å; F863-W910 HydrophobicContact CD1-CZ2 3.88Å; F863-W910 HydrophobicContact CD1-CZ3 4.39Å; F863-W910 HydrophobicContact CE1-CD2 4.02Å; F863-W910 AromaticContact CE1-CE2 3.94Å; F863-W910 AromaticContact CE1-CE3 3.71Å; F863-W910 HydrophobicContact CE1-CE3 3.71Å; F863-W910 AromaticContact CE1-CH2 3.22Å; F863-W910 HydrophobicContact CE1-CH2 3.22Å; F863-W910 AromaticContact CE1-CZ2 3.56Å; F863-W910 HydrophobicContact CE1-CZ2 3.56Å; F863-W910 AromaticContact CE1-CZ3 3.31Å; F863-W910 HydrophobicContact CE1-CZ3 3.31Å; F863-W910 HydrophobicContact CZ-CE3 4.28Å; F863-W910 AromaticContact CZ-CH2 3.67Å; F863-W910 HydrophobicContact CZ-CH2 3.67Å; F863-W910 HydrophobicContact CZ-CZ2 4.43Å; F863-W910 AromaticContact CZ-CZ3 3.59Å; F863-W910 HydrophobicContact CZ-CZ3 3.59Å; L867-W910 HydrophobicContact CD2-CB 4.03Å; L867-W910 HydrophobicContact CD2-CD2 4.03Å; L867-W910 HydrophobicContact CD2-CE3 4.19Å; L867-W910 HydrophobicContact CD2-CG 3.93Å; L873-W910 HydrophobicContact CD1-CB 3.99Å; L873-W910 HydrophobicContact CD1-CE3 4.11Å; P906-W910 PolarHBondContact O-N 2.68Å; A907-W910 PolarHBondContact O-N 3.23Å; W910-S912 PolarHBondContact O-N 3.1Å; W910-L913 HydrophobicContact CD2-CD1 4.48Å; W910-L913 HydrophobicContact CE3-CD1 3.68Å; W910-L913 HydrophobicContact CH2-CD1 4.4Å; W910-L913 HydrophobicContact CZ3-CD1 3.62Å; W910-L913 VanDerWaalsContact O-CB 3.3Å; W910-L913 WeakPolarHBondContact O-CB 3.5Å; W910-L913 PolarHBondContact O-N 2.84Å; W910-E914 VanDerWaalsContact CD1-OE1 3.24Å; W910-E914 PolarHBondContact NE1-OE1 3.15Å; W910-E914 PolarHBondContact O-N 3.24Å; W910-I930 HydrophobicContact CH2-CG2 3.67Å; W910-I930 HydrophobicContact CZ2-CG2 3.66Å; W910-I933 HydrophobicContact CZ3-CG2 4.41Å; W910-V934 HydrophobicContact CH2-CG2 3.88Å; W910-V934 HydrophobicContact CZ2-CG2 4.32Å
911	R	93.3	Very high	89.5	Confident	152 Å²	152	76.9 Å²	76.9	57%	0.574	41%	0.408	S	S	*	.	H	α-helix	trans	-60.5	-30.4	177.9	-167.6	177.7	-171.5	80.4	-0.9	113.2	A907 D908 L913 E914 L915	A907-R911 WeakPolarHBondContact O-CB 3.35Å; A907-R911 PolarHBondContact O-N 2.61Å; D908-R911 PolarHBondContact O-N 2.68Å; R911-L913 VanDerWaalsContact C-N 3.33Å; R911-E914 PolarHBondContact O-N 3.27Å; R911-L915 HydrophobicContact CG-CD1 4.48Å; R911-L915 WeakPolarHBondContact O-CG 3.43Å; R911-L915 PolarHBondContact O-N 3.06Å
912	S	92.9	Very high	88.9	Confident	2 Å²	2	72.5 Å²	72.5	1%	0.014	39%	0.389	C	S	.	.	H	α-helix	trans	-68.2	-32.7	175.2	80.6	0	0	0	0	112.3	D908 R909 W910 I916	D908-S912 PolarHBondContact O-N 2.99Å; R909-S912 PolarHBondContact O-N 2.88Å; R909-S912 PolarHBondContact O-OG 3.46Å; W910-S912 PolarHBondContact O-N 3.1Å; S912-I916 WeakPolarHBondContact O-CB 3.38Å; S912-I916 WeakPolarHBondContact O-CD1 3.45Å; S912-I916 VanDerWaalsContact O-CG1 3.26Å; S912-I916 WeakPolarHBondContact O-CG1 3.41Å; S912-I916 PolarHBondContact O-N 2.96Å; S912-I916 VanDerWaalsContact O-N 3.09Å
913	L	92.3	Very high	88.3	Confident	0 Å²	0	67.8 Å²	67.8	0%	0	37%	0.373	C	S	.	.	H	α-helix	trans	-62.2	-49.6	170.5	-52.4	-173.7	0	0	0	110.7	V896 F900 W910 R911 L915 I916 E917 F929 I930 I933	V896-L913 HydrophobicContact CB-CD2 4.16Å; V896-L913 HydrophobicContact CG1-CD2 3.32Å; V896-L913 HydrophobicContact CG2-CD2 3.64Å; F900-L913 HydrophobicContact CE1-CD2 3.65Å; F900-L913 HydrophobicContact CE1-CG 4.12Å; F900-L913 HydrophobicContact CZ-CD1 4.25Å; F900-L913 HydrophobicContact CZ-CD2 3.74Å; F900-L913 HydrophobicContact CZ-CG 4.21Å; W910-L913 HydrophobicContact CD2-CD1 4.48Å; W910-L913 HydrophobicContact CE3-CD1 3.68Å; W910-L913 HydrophobicContact CH2-CD1 4.4Å; W910-L913 HydrophobicContact CZ3-CD1 3.62Å; W910-L913 VanDerWaalsContact O-CB 3.3Å; W910-L913 WeakPolarHBondContact O-CB 3.5Å; W910-L913 PolarHBondContact O-N 2.84Å; R911-L913 VanDerWaalsContact C-N 3.33Å; L913-L915 VanDerWaalsContact C-N 3.29Å; L913-L915 PolarHBondContact O-N 3.06Å; L913-I916 WeakPolarHBondContact O-CB 3.43Å; L913-I916 PolarHBondContact O-N 3.01Å; L913-E917 PolarHBondContact O-N 3.39Å; L913-F929 HydrophobicContact CB-CE2 4.33Å; L913-F929 HydrophobicContact CB-CZ 4.25Å; L913-F929 HydrophobicContact CD2-CE2 4.21Å; L913-I930 HydrophobicContact CB-CD1 3.89Å; L913-I930 HydrophobicContact CB-CG1 4.26Å; L913-I933 HydrophobicContact CD1-CD1 4.33Å
914	E	92.2	Very high	87.7	Confident	86 Å²	86	71.4 Å²	71.4	40%	0.402	39%	0.39	S	S	.	.	H	α-helix	trans	-58.6	-40.5	-179.2	-61.8	174.8	153.1	0	0	111.7	W910 R911 E917 A918 I930	W910-E914 VanDerWaalsContact CD1-OE1 3.24Å; W910-E914 PolarHBondContact NE1-OE1 3.15Å; W910-E914 PolarHBondContact O-N 3.24Å; R911-E914 PolarHBondContact O-N 3.27Å; E914-E917 PolarHBondContact O-N 3.22Å; E914-A918 VanDerWaalsContact O-CB 3.24Å; E914-A918 WeakPolarHBondContact O-CB 3.06Å; E914-A918 PolarHBondContact O-N 2.98Å; E914-I930 HydrophobicContact CG-CD1 4.35Å
915	L	91.4	Very high	87.1	Confident	111 Å²	111	69.2 Å²	69.2	58%	0.581	37%	0.369	S	S	*	.	H	α-helix	trans	-67.1	-36	175	-70.9	170.5	0	0	0	112.9	R911 L913 S919	R911-L915 HydrophobicContact CG-CD1 4.48Å; R911-L915 WeakPolarHBondContact O-CG 3.43Å; R911-L915 PolarHBondContact O-N 3.06Å; L913-L915 VanDerWaalsContact C-N 3.29Å; L913-L915 PolarHBondContact O-N 3.06Å; L915-S919 PolarHBondContact O-N 3.31Å
916	I	89.3	Confident	86.6	Confident	22 Å²	22	67.4 Å²	67.4	11%	0.113	36%	0.357	C	S	.	.	H	α-helix	trans	-68.2	-43.4	175.5	-73.6	166.1	0	0	0	110.5	V892 V896 S912 L913 S919 L922 F929	V892-I916 HydrophobicContact CG1-CG2 4.2Å; V896-I916 HydrophobicContact CG2-CD1 3.61Å; S912-I916 WeakPolarHBondContact O-CB 3.38Å; S912-I916 WeakPolarHBondContact O-CD1 3.45Å; S912-I916 VanDerWaalsContact O-CG1 3.26Å; S912-I916 WeakPolarHBondContact O-CG1 3.41Å; S912-I916 PolarHBondContact O-N 2.96Å; S912-I916 VanDerWaalsContact O-N 3.09Å; L913-I916 WeakPolarHBondContact O-CB 3.43Å; L913-I916 PolarHBondContact O-N 3.01Å; I916-S919 WeakPolarHBondContact O-CB 3.27Å; I916-S919 PolarHBondContact O-N 2.72Å; I916-S919 PolarHBondContact O-OG 3.07Å; I916-L922 HydrophobicContact CG2-CD2 3.88Å; I916-F929 HydrophobicContact CB-CZ 4.46Å; I916-F929 HydrophobicContact CG2-CE1 4.22Å; I916-F929 HydrophobicContact CG2-CZ 4.05Å
917	E	87.2	Confident	86.1	Confident	60 Å²	60	68.8 Å²	68.8	28%	0.28	36%	0.358	S	S	.	.	H	α-helix	trans	-64	-43.4	174.6	-158.9	170.9	-112	0	0	111.9	L913 E914 S919 Q920 L922 F929 I930	L913-E917 PolarHBondContact O-N 3.39Å; E914-E917 PolarHBondContact O-N 3.22Å; E917-S919 PolarHBondContact O-N 3.38Å; E917-Q920 PolarHBondContact O-N 3.43Å; E917-L922 HydrophobicContact CG-CD1 4.33Å; E917-F929 HydrophobicContact CB-CE1 3.79Å; E917-F929 HydrophobicContact CB-CZ 4.5Å; E917-F929 HydrophobicContact CG-CD1 4.49Å; E917-F929 HydrophobicContact CG-CE1 4.13Å; E917-I930 HydrophobicContact CB-CD1 3.72Å; E917-I930 HydrophobicContact CB-CG1 4.24Å; E917-I930 HydrophobicContact CG-CD1 4.31Å; E917-I930 HydrophobicContact CG-CG1 4.47Å; E917-I930 WeakPolarHBondContact OE1-CB 2.98Å; E917-I930 WeakPolarHBondContact OE1-CG1 3.37Å; E917-I930 PolarHBondContact OE1-N 2.66Å
918	A	87.4	Confident	85.7	Confident	72 Å²	72	67.9 Å²	67.9	60%	0.595	34%	0.342	S	S	*	.	H	α-helix	trans	-65.7	-17.6	177.8	0	0	0	0	0	114.5	E914 Q920	E914-A918 VanDerWaalsContact O-CB 3.24Å; E914-A918 WeakPolarHBondContact O-CB 3.06Å; E914-A918 PolarHBondContact O-N 2.98Å; A918-Q920 PolarHBondContact O-N 2.8Å
919	S	83	Confident	85.3	Confident	65 Å²	65	64.9 Å²	64.9	46%	0.455	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-15.8	178.5	76.3	0	0	0	0	114.1	L915 I916 E917 Q921	L915-S919 PolarHBondContact O-N 3.31Å; I916-S919 WeakPolarHBondContact O-CB 3.27Å; I916-S919 PolarHBondContact O-N 2.72Å; I916-S919 PolarHBondContact O-OG 3.07Å; E917-S919 PolarHBondContact O-N 3.38Å; S919-Q921 PolarHBondContact O-N 3.48Å
920	Q	67.4	Low	85.1	Confident	177 Å²	177	64.8 Å²	64.8	83%	0.827	33%	0.326	S	S	*	.			trans	57.3	-4.8	-179.9	-61.9	-174.5	-5	0	0	116.9	E917 A918 L922	E917-Q920 PolarHBondContact O-N 3.43Å; A918-Q920 PolarHBondContact O-N 2.8Å; Q920-L922 PolarHBondContact O-N 2.93Å; Q920-L922 VanDerWaalsContact O-N 3.14Å
921	Q	78.9	Confident	84.8	Confident	183 Å²	183	66.1 Å²	66.1	86%	0.855	33%	0.333	S	S	*	.			trans	-87.2	41.1	175.5	-63.6	-175.5	3.3	0	0	112.1	S919	S919-Q921 PolarHBondContact O-N 3.48Å
922	L	80.6	Confident	84.5	Confident	35 Å²	35	59.4 Å²	59.4	18%	0.183	31%	0.311	C	S	.	.			trans	-91.4	142	179.4	-70.4	-179.9	0	0	0	111.7	V892 I916 E917 Q920 F929	V892-L922 HydrophobicContact CG1-CD2 4.23Å; V892-L922 HydrophobicContact CG2-CD2 3.73Å; I916-L922 HydrophobicContact CG2-CD2 3.88Å; E917-L922 HydrophobicContact CG-CD1 4.33Å; Q920-L922 PolarHBondContact O-N 2.93Å; Q920-L922 VanDerWaalsContact O-N 3.14Å; L922-F929 HydrophobicContact CD1-CD1 3.86Å; L922-F929 HydrophobicContact CD1-CE1 3.84Å
923	P	82.2	Confident	84.3	Confident	45 Å²	45	59.3 Å²	59.3	29%	0.292	31%	0.31	S	S	.	.			trans	-54.2	145.5	163.3	-25.6	36.5	0	0	0	111.2	V892 S925 C926 K927	V892-P923 HydrophobicContact CG2-CG 4.41Å; P923-S925 VanDerWaalsContact CB-OG 3.25Å; P923-S925 WeakPolarHBondContact CB-OG 3.43Å; P923-S925 PolarHBondContact O-N 3.12Å; P923-C926 WeakPolarHBondContact O-CA 3.36Å; P923-C926 PolarHBondContact O-N 3.39Å; P923-K927 PolarHBondContact O-N 3Å
924	E	78.5	Confident	84.3	Confident	131 Å²	131	59.4 Å²	59.4	61%	0.612	31%	0.311	S	S	*	.	G	3₁₀ helix	trans	-56.7	-26.2	178.4	-169	67.4	-164.9	0	0	112	C926 K927	E924-C926 PolarHBondContact O-N 3.27Å; E924-K927 WeakPolarHBondContact OE1-CD 3Å; E924-K927 IonicContact OE1-NZ 2.66Å; E924-K927 PolarHBondContact OE1-NZ 3.16Å; E924-K927 IonicContact OE2-NZ 2.63Å
925	S	75.6	Confident	84.3	Confident	42 Å²	42	55.3 Å²	55.3	29%	0.294	29%	0.292	S	S	.	.	G	3₁₀ helix	trans	-59.5	-23.9	171.2	48.2	0	0	0	0	115	P923	P923-S925 VanDerWaalsContact CB-OG 3.25Å; P923-S925 WeakPolarHBondContact CB-OG 3.43Å; P923-S925 PolarHBondContact O-N 3.12Å
926	C	80.6	Confident	84.2	Confident	1 Å²	1	50.4 Å²	50.4	1%	0.007	27%	0.266	C	S	.	.	G	3₁₀ helix	trans	-118.7	3.3	-175.3	-77.7	0	0	0	0	113.9	D888 V892 P923 E924 F928 F929	D888-C926 WeakPolarHBondContact CB-SG 3.19Å; V892-C926 HydrophobicContact CG2-CB 4.06Å; P923-C926 WeakPolarHBondContact O-CA 3.36Å; P923-C926 PolarHBondContact O-N 3.39Å; E924-C926 PolarHBondContact O-N 3.27Å; C926-F928 PolarHBondContact O-N 3.28Å; C926-F929 HydrophobicContact CB-CB 4.22Å; C926-F929 WeakPolarHBondContact O-CB 3.41Å; C926-F929 VanDerWaalsContact O-CD1 3.29Å; C926-F929 WeakPolarHBondContact O-CD1 3.25Å; C926-F929 PolarHBondContact O-N 2.76Å
927	K	81.8	Confident	84.3	Confident	73 Å²	73	49.7 Å²	49.7	32%	0.317	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.4	-27.4	-179.4	-176.5	179.5	-171.9	178.3	0	115.8	P846 P923 E924	P846-K927 PolarHBondContact O-NZ 3.06Å; P923-K927 PolarHBondContact O-N 3Å; E924-K927 WeakPolarHBondContact OE1-CD 3Å; E924-K927 IonicContact OE1-NZ 2.66Å; E924-K927 PolarHBondContact OE1-NZ 3.16Å; E924-K927 IonicContact OE2-NZ 2.63Å
928	F	83.1	Confident	84.7	Confident	49 Å²	49	46.9 Å²	46.9	22%	0.215	25%	0.25	C	C	.	.	T	Hydrogen-bonded Turn	trans	-126.4	29.9	178.9	-54.8	-61.2	0	0	0	112.1	L842 L848 C926 I930 K931 G932	L842-F928 HydrophobicContact CD2-CE2 4.26Å; L848-F928 HydrophobicContact CD1-CB 4.5Å; L848-F928 HydrophobicContact CD1-CD1 4.3Å; L848-F928 HydrophobicContact CD1-CG 4.22Å; L848-F928 HydrophobicContact CD2-CB 4.46Å; L848-F928 HydrophobicContact CD2-CD2 3.82Å; L848-F928 HydrophobicContact CD2-CE2 4.29Å; L848-F928 HydrophobicContact CD2-CG 4.17Å; L848-F928 HydrophobicContact CG-CD1 4.36Å; L848-F928 HydrophobicContact CG-CD2 3.95Å; L848-F928 HydrophobicContact CG-CE1 4.5Å; L848-F928 HydrophobicContact CG-CE2 4.11Å; L848-F928 HydrophobicContact CG-CG 4.08Å; L848-F928 HydrophobicContact CG-CZ 4.38Å; C926-F928 PolarHBondContact O-N 3.28Å; F928-I930 VanDerWaalsContact C-N 3.33Å; F928-I930 PolarHBondContact O-N 3.5Å; F928-K931 HydrophobicContact CB-CB 4.38Å; F928-K931 HydrophobicContact CD1-CD 4.38Å; F928-K931 PolarHBondContact O-N 2.99Å; F928-G932 PolarHBondContact O-N 3.35Å
929	F	85.1	Confident	85	Confident	7 Å²	7	43.5 Å²	43.5	3%	0.031	22%	0.221	C	C	.	.	H	α-helix	trans	-64.3	-33.9	-169.8	84.9	-78	0	0	0	113.1	I886 L913 I916 E917 L922 C926 G932 I933	I886-F929 HydrophobicContact CG1-CD2 4.36Å; L913-F929 HydrophobicContact CB-CE2 4.33Å; L913-F929 HydrophobicContact CB-CZ 4.25Å; L913-F929 HydrophobicContact CD2-CE2 4.21Å; I916-F929 HydrophobicContact CB-CZ 4.46Å; I916-F929 HydrophobicContact CG2-CE1 4.22Å; I916-F929 HydrophobicContact CG2-CZ 4.05Å; E917-F929 HydrophobicContact CB-CE1 3.79Å; E917-F929 HydrophobicContact CB-CZ 4.5Å; E917-F929 HydrophobicContact CG-CD1 4.49Å; E917-F929 HydrophobicContact CG-CE1 4.13Å; L922-F929 HydrophobicContact CD1-CD1 3.86Å; L922-F929 HydrophobicContact CD1-CE1 3.84Å; C926-F929 HydrophobicContact CB-CB 4.22Å; C926-F929 WeakPolarHBondContact O-CB 3.41Å; C926-F929 VanDerWaalsContact O-CD1 3.29Å; C926-F929 WeakPolarHBondContact O-CD1 3.25Å; C926-F929 PolarHBondContact O-N 2.76Å; F929-G932 PolarHBondContact O-N 3.45Å; F929-I933 HydrophobicContact CD2-CD1 3.88Å; F929-I933 HydrophobicContact CE2-CD1 4.25Å; F929-I933 WeakPolarHBondContact O-CG1 3.1Å; F929-I933 PolarHBondContact O-N 3.06Å
930	I	89.5	Confident	85.5	Confident	15 Å²	15	40.5 Å²	40.5	8%	0.077	20%	0.2	C	C	.	.	H	α-helix	trans	-66.8	-48.2	174.5	-60.2	-172	0	0	0	110.1	W910 L913 E914 E917 F928 G932 I933 V934	W910-I930 HydrophobicContact CH2-CG2 3.67Å; W910-I930 HydrophobicContact CZ2-CG2 3.66Å; L913-I930 HydrophobicContact CB-CD1 3.89Å; L913-I930 HydrophobicContact CB-CG1 4.26Å; E914-I930 HydrophobicContact CG-CD1 4.35Å; E917-I930 HydrophobicContact CB-CD1 3.72Å; E917-I930 HydrophobicContact CB-CG1 4.24Å; E917-I930 HydrophobicContact CG-CD1 4.31Å; E917-I930 HydrophobicContact CG-CG1 4.47Å; E917-I930 WeakPolarHBondContact OE1-CB 2.98Å; E917-I930 WeakPolarHBondContact OE1-CG1 3.37Å; E917-I930 PolarHBondContact OE1-N 2.66Å; F928-I930 VanDerWaalsContact C-N 3.33Å; F928-I930 PolarHBondContact O-N 3.5Å; I930-G932 PolarHBondContact O-N 2.74Å; I930-I933 PolarHBondContact O-N 3.08Å; I930-I933 VanDerWaalsContact O-N 3.11Å; I930-V934 HydrophobicContact CG2-CG2 4.25Å; I930-V934 WeakPolarHBondContact O-CG2 3.3Å; I930-V934 PolarHBondContact O-N 3.41Å
931	K	88.8	Confident	86.6	Confident	60 Å²	60	33.2 Å²	33.2	26%	0.261	17%	0.166	S	C	.	.	H	α-helix	trans	-55.8	-39.6	173.9	-68.5	-176.9	178	172.6	0	111.5	L848 E853 A856 F928 V934 L935	L848-K931 HydrophobicContact CD1-CB 4.47Å; L848-K931 HydrophobicContact CD1-CD 3.52Å; E853-K931 IonicContact OE1-NZ 2.76Å; E853-K931 PolarHBondContact OE1-NZ 2.72Å; A856-K931 HydrophobicContact CB-CB 4.28Å; A856-K931 HydrophobicContact CB-CD 4.34Å; A856-K931 HydrophobicContact CB-CG 4.27Å; F928-K931 HydrophobicContact CB-CB 4.38Å; F928-K931 HydrophobicContact CD1-CD 4.38Å; F928-K931 PolarHBondContact O-N 2.99Å; K931-V934 PolarHBondContact O-N 2.81Å; K931-L935 WeakPolarHBondContact O-CB 3.49Å; K931-L935 VanDerWaalsContact O-CG 3.28Å; K931-L935 WeakPolarHBondContact O-CG 3.36Å; K931-L935 PolarHBondContact O-N 3.19Å
932	G	86.6	Confident	87.2	Confident	11 Å²	11	25.8 Å²	25.8	11%	0.113	13%	0.131	C	C	.	.	H	α-helix	trans	-62.7	-44.3	174.5	0	0	0	0	0	113.6	F928 F929 I930 S936	F928-G932 PolarHBondContact O-N 3.35Å; F929-G932 PolarHBondContact O-N 3.45Å; I930-G932 PolarHBondContact O-N 2.74Å; G932-S936 WeakPolarHBondContact O-CB 3.48Å; G932-S936 PolarHBondContact O-N 2.99Å; G932-S936 PolarHBondContact O-OG 3.43Å
933	I	89.1	Confident	87.6	Confident	0 Å²	0	27 Å²	27	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-62.5	-49.7	174	-70.4	164.1	0	0	0	110.4	I882 L885 I886 W910 L913 F929 I930 L935 S936 L937	I882-I933 HydrophobicContact CG2-CD1 4.2Å; I882-I933 HydrophobicContact CG2-CG2 4.1Å; L885-I933 HydrophobicContact CB-CG1 4.02Å; L885-I933 HydrophobicContact CD1-CG1 4.46Å; L885-I933 HydrophobicContact CD1-CG2 4.4Å; I886-I933 HydrophobicContact CG1-CD1 4.17Å; W910-I933 HydrophobicContact CZ3-CG2 4.41Å; L913-I933 HydrophobicContact CD1-CD1 4.33Å; F929-I933 HydrophobicContact CD2-CD1 3.88Å; F929-I933 HydrophobicContact CE2-CD1 4.25Å; F929-I933 WeakPolarHBondContact O-CG1 3.1Å; F929-I933 PolarHBondContact O-N 3.06Å; I930-I933 PolarHBondContact O-N 3.08Å; I930-I933 VanDerWaalsContact O-N 3.11Å; I933-L935 VanDerWaalsContact C-N 3.35Å; I933-L935 PolarHBondContact O-N 3.01Å; I933-S936 WeakPolarHBondContact O-CB 3.44Å; I933-S936 PolarHBondContact O-N 2.83Å; I933-L937 HydrophobicContact CG2-CD1 3.68Å; I933-L937 WeakPolarHBondContact O-CD1 3.12Å; I933-L937 VanDerWaalsContact O-CG 3.24Å; I933-L937 WeakPolarHBondContact O-CG 3.44Å; I933-L937 PolarHBondContact O-N 2.86Å; I933-L937 VanDerWaalsContact O-N 3.16Å
934	V	92.5	Very high	88	Confident	2 Å²	2	26.2 Å²	26.2	1%	0.012	13%	0.133	C	C	.	.	H	α-helix	trans	-58.9	-45.3	-179.5	170.7	0	0	0	0	111.2	C859 F863 W910 I930 K931 L937 C938	C859-V934 HydrophobicContact CB-CG1 3.43Å; C859-V934 VanDerWaalsContact CB-CG1 3.43Å; F863-V934 HydrophobicContact CB-CG1 4.44Å; F863-V934 HydrophobicContact CD1-CG2 4.27Å; F863-V934 HydrophobicContact CD2-CB 4.19Å; F863-V934 HydrophobicContact CD2-CG1 3.91Å; F863-V934 HydrophobicContact CD2-CG2 3.85Å; F863-V934 HydrophobicContact CE1-CG2 4.38Å; F863-V934 HydrophobicContact CE2-CB 4.39Å; F863-V934 HydrophobicContact CE2-CG2 3.98Å; F863-V934 HydrophobicContact CG-CG1 4.32Å; F863-V934 HydrophobicContact CG-CG2 4.01Å; F863-V934 HydrophobicContact CZ-CG2 4.25Å; W910-V934 HydrophobicContact CH2-CG2 3.88Å; W910-V934 HydrophobicContact CZ2-CG2 4.32Å; I930-V934 HydrophobicContact CG2-CG2 4.25Å; I930-V934 WeakPolarHBondContact O-CG2 3.3Å; I930-V934 PolarHBondContact O-N 3.41Å; K931-V934 PolarHBondContact O-N 2.81Å; V934-L937 PolarHBondContact O-N 2.93Å; V934-C938 WeakPolarHBondContact O-CB 3.18Å; V934-C938 PolarHBondContact O-N 3.5Å
935	L	92	Very high	88.5	Confident	1 Å²	1	23.6 Å²	23.6	1%	0.005	12%	0.123	C	C	.	.	H	α-helix	trans	-65	-45.5	175.7	-74	169.2	0	0	0	112	L830 M841 V852 A855 A856 K931 I933 L937 C938 Y939	L830-L935 HydrophobicContact CD1-CD1 4.49Å; L830-L935 HydrophobicContact CD1-CD2 4.38Å; M841-L935 HydrophobicContact CE-CD1 3.45Å; M841-L935 VanDerWaalsContact CE-CD1 3.45Å; V852-L935 HydrophobicContact CG1-CD1 3.81Å; A855-L935 HydrophobicContact CB-CD2 4.33Å; A856-L935 HydrophobicContact CB-CD1 4.06Å; A856-L935 HydrophobicContact CB-CD2 4.23Å; A856-L935 HydrophobicContact CB-CG 4.1Å; K931-L935 WeakPolarHBondContact O-CB 3.49Å; K931-L935 VanDerWaalsContact O-CG 3.28Å; K931-L935 WeakPolarHBondContact O-CG 3.36Å; K931-L935 PolarHBondContact O-N 3.19Å; I933-L935 VanDerWaalsContact C-N 3.35Å; I933-L935 PolarHBondContact O-N 3.01Å; L935-L937 PolarHBondContact O-N 3.39Å; L935-L937 VanDerWaalsContact O-N 3.1Å; L935-C938 PolarHBondContact O-N 3.35Å; L935-Y939 HydrophobicContact CD2-CD2 3.58Å; L935-Y939 HydrophobicContact CD2-CG 4.11Å; L935-Y939 WeakPolarHBondContact O-CB 3.47Å; L935-Y939 PolarHBondContact O-N 2.98Å; L935-Y939 VanDerWaalsContact O-N 3.07Å
936	S	88.9	Confident	89.3	Confident	7 Å²	7	21.8 Å²	21.8	5%	0.049	11%	0.11	C	C	.	.	H	α-helix	trans	-51.1	-37.7	176.9	-60.1	0	0	0	0	112.9	F831 V834 G932 I933 R941	F831-S936 WeakPolarHBondContact CZ-O 3.39Å; V834-S936 WeakPolarHBondContact CG1-OG 3.43Å; G932-S936 WeakPolarHBondContact O-CB 3.48Å; G932-S936 PolarHBondContact O-N 2.99Å; G932-S936 PolarHBondContact O-OG 3.43Å; I933-S936 WeakPolarHBondContact O-CB 3.44Å; I933-S936 PolarHBondContact O-N 2.83Å; S936-R941 PolarHBondContact O-NH2 2.84Å
937	L	92.1	Very high	90.1	Very high	8 Å²	8	21.8 Å²	21.8	4%	0.042	11%	0.11	C	C	.	.	H	α-helix	trans	-90.8	-35.9	-172.3	-64	169.2	0	0	0	113.6	V757 F773 F863 W872 I882 L885 I933 V934 L935	V757-L937 HydrophobicContact CB-CD2 4.31Å; V757-L937 HydrophobicContact CG1-CD2 3.79Å; F773-L937 VanDerWaalsContact CE1-O 3.27Å; F773-L937 WeakPolarHBondContact CE1-O 3.43Å; F863-L937 HydrophobicContact CE2-CB 4.38Å; F863-L937 HydrophobicContact CE2-CD1 3.76Å; F863-L937 HydrophobicContact CZ-CD1 3.98Å; W872-L937 HydrophobicContact CD2-CD1 4.15Å; W872-L937 HydrophobicContact CD2-CD2 4.31Å; W872-L937 HydrophobicContact CE3-CD1 3.83Å; W872-L937 HydrophobicContact CH2-CB 3.67Å; W872-L937 HydrophobicContact CH2-CD1 4.36Å; W872-L937 HydrophobicContact CH2-CG 4.43Å; W872-L937 HydrophobicContact CZ2-CB 3.92Å; W872-L937 HydrophobicContact CZ2-CD2 4.14Å; W872-L937 HydrophobicContact CZ2-CG 4.44Å; W872-L937 HydrophobicContact CZ3-CB 4.04Å; W872-L937 HydrophobicContact CZ3-CD1 3.97Å; I882-L937 HydrophobicContact CD1-CD1 3.73Å; I882-L937 HydrophobicContact CD1-CD2 3.86Å; I882-L937 HydrophobicContact CD1-CG 4.35Å; L885-L937 HydrophobicContact CD1-CD2 4.31Å; L885-L937 HydrophobicContact CD1-CG 4.34Å; I933-L937 HydrophobicContact CG2-CD1 3.68Å; I933-L937 WeakPolarHBondContact O-CD1 3.12Å; I933-L937 VanDerWaalsContact O-CG 3.24Å; I933-L937 WeakPolarHBondContact O-CG 3.44Å; I933-L937 PolarHBondContact O-N 2.86Å; I933-L937 VanDerWaalsContact O-N 3.16Å; V934-L937 PolarHBondContact O-N 2.93Å; L935-L937 PolarHBondContact O-N 3.39Å; L935-L937 VanDerWaalsContact O-N 3.1Å
938	C	94.2	Very high	90.6	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-119.3	-16.5	-164.7	-60.3	0	0	0	0	115.5	V776 C859 F863 L866 V934 L935	V776-C938 WeakPolarHBondContact CG1-O 3.19Å; C859-C938 HydrophobicContact CB-CB 4Å; F863-C938 VanDerWaalsContact CD2-SG 3.57Å; L866-C938 HydrophobicContact CD1-CB 4.16Å; L866-C938 WeakPolarHBondContact CD1-SG 3.15Å; V934-C938 WeakPolarHBondContact O-CB 3.18Å; V934-C938 PolarHBondContact O-N 3.5Å; L935-C938 PolarHBondContact O-N 3.35Å
939	Y	94.4	Very high	90.9	Very high	1 Å²	1	21.3 Å²	21.3	0%	0.004	11%	0.109	C	C	.	.	S	Bend	trans	-68.9	150.6	-173	179.8	-87.7	0	0	0	112.5	Y754 I780 M828 L830 F831 Y851 A855 L935	Y754-Y939 PolarHBondContact OH-O 3.47Å; I780-Y939 HydrophobicContact CG2-CE2 4.31Å; M828-Y939 VanDerWaalsContact C-OH 3.26Å; M828-Y939 PolarHBondContact O-OH 3.19Å; L830-Y939 HydrophobicContact CB-CD1 4.07Å; L830-Y939 HydrophobicContact CB-CE1 3.77Å; L830-Y939 HydrophobicContact CD1-CD1 4.35Å; L830-Y939 HydrophobicContact CD1-CD2 3.78Å; L830-Y939 HydrophobicContact CD1-CE1 4.1Å; L830-Y939 HydrophobicContact CD1-CE2 3.43Å; L830-Y939 VanDerWaalsContact CD1-CE2 3.43Å; L830-Y939 HydrophobicContact CD1-CG 4.22Å; L830-Y939 HydrophobicContact CG-CD1 4.37Å; L830-Y939 HydrophobicContact CG-CE1 3.8Å; L830-Y939 HydrophobicContact CG-CE2 3.91Å; F831-Y939 AromaticContact CD2-CD1 3.97Å; F831-Y939 HydrophobicContact CD2-CD1 3.97Å; F831-Y939 AromaticContact CE2-CD1 3.76Å; F831-Y939 HydrophobicContact CE2-CD1 3.76Å; F831-Y939 HydrophobicContact CE2-CG 4.36Å; Y851-Y939 HydrophobicContact CE1-CE2 4.48Å; Y851-Y939 WeakPolarHBondContact CE1-OH 3.39Å; Y851-Y939 PolarHBondContact OH-OH 2.94Å; A855-Y939 HydrophobicContact CB-CD2 4.01Å; A855-Y939 HydrophobicContact CB-CE2 3.79Å; L935-Y939 HydrophobicContact CD2-CD2 3.58Å; L935-Y939 HydrophobicContact CD2-CG 4.11Å; L935-Y939 WeakPolarHBondContact O-CB 3.47Å; L935-Y939 PolarHBondContact O-N 2.98Å; L935-Y939 VanDerWaalsContact O-N 3.07Å
940	P	93.8	Very high	91.3	Very high	2 Å²	2	22.2 Å²	22.2	1%	0.013	12%	0.116	C	C	.	.			trans	-38.7	138	170.5	-34	29.2	0	0	0	116.6	Y754 A777 I780 I781	Y754-P940 VanDerWaalsContact OH-CA 3.3Å; Y754-P940 WeakPolarHBondContact OH-CA 3.27Å; A777-P940 HydrophobicContact CB-CB 4.33Å; A777-P940 HydrophobicContact CB-CG 4.06Å; I780-P940 HydrophobicContact CB-CG 4.08Å; I780-P940 HydrophobicContact CD1-CG 4.42Å; I780-P940 HydrophobicContact CG2-CG 3.92Å; I781-P940 HydrophobicContact CD1-CB 4.07Å; I781-P940 HydrophobicContact CD1-CG 4.14Å; I781-P940 HydrophobicContact CG1-CB 4.37Å; I781-P940 HydrophobicContact CG1-CG 4.06Å
941	R	91.1	Very high	91.5	Very high	25 Å²	25	25.8 Å²	25.8	9%	0.094	14%	0.135	C	C	.	.			trans	-119.8	112.3	169.3	-56.9	-179.9	-177.8	-151.8	-8.7	106.3	D753 Y754 D756 V757 F831 S936	D753-R941 HydrophobicContact CB-CB 3.74Å; D753-R941 WeakPolarHBondContact O-CD 3.3Å; D753-R941 PolarHBondContact O-NH1 2.83Å; Y754-R941 HydrophobicContact CD1-CG 4.4Å; Y754-R941 HydrophobicContact CE1-CG 3.94Å; Y754-R941 HydrophobicContact CE2-CB 3.97Å; Y754-R941 HydrophobicContact CE2-CG 4.11Å; Y754-R941 PolarHBondContact OH-N 3.36Å; Y754-R941 VanDerWaalsContact OH-N 3.14Å; D756-R941 IonicContact OD1-CZ 3.37Å; D756-R941 IonicContact OD1-NH1 3.43Å; D756-R941 PolarHBondContact OD1-NH1 3.14Å; D756-R941 IonicContact OD2-CZ 3.69Å; D756-R941 IonicContact OD2-NH1 3.7Å; D756-R941 PolarHBondContact OD2-NH1 2.79Å; D756-R941 IonicContact OD2-NH2 2.94Å; D756-R941 PolarHBondContact OD2-NH2 2.66Å; D756-R941 VanDerWaalsContact OD2-NH2 3.1Å; V757-R941 VanDerWaalsContact CG1-NH2 3.28Å; F831-R941 HydrophobicContact CD2-CG 4.24Å; F831-R941 HydrophobicContact CE2-CG 4.34Å; S936-R941 PolarHBondContact O-NH2 2.84Å
942	L	90.3	Very high	91.7	Very high	26 Å²	26	25.8 Å²	25.8	14%	0.136	14%	0.136	C	C	.	.			trans	-106.7	132.9	-170.8	-64	179.3	0	0	0	110.1	F747 I749 I781 M828 V944	F747-L942 HydrophobicContact CD1-CD1 4.35Å; F747-L942 HydrophobicContact CD1-CD2 4.23Å; I749-L942 HydrophobicContact CG1-CD2 4.19Å; I781-L942 HydrophobicContact CD1-CD2 3.65Å; M828-L942 HydrophobicContact CB-CD1 3.86Å; M828-L942 WeakPolarHBondContact O-CD1 3.31Å; L942-V944 VanDerWaalsContact C-N 3.28Å; L942-V944 HydrophobicContact CB-CG1 4.27Å; L942-V944 PolarHBondContact O-N 3.21Å
943	D	90.3	Very high	92.1	Very high	61 Å²	61	26.1 Å²	26.1	33%	0.326	14%	0.135	S	C	.	.			trans	-76.5	87.5	158.7	-170	-9.9	0	0	0	109.6	D748 N945 V946	D748-D943 PolarHBondContact O-N 3.04Å; D943-N945 PolarHBondContact O-N 3.22Å; D943-N945 WeakPolarHBondContact OD1-CB 3.34Å; D943-N945 PolarHBondContact OD1-N 3.26Å; D943-N945 PolarHBondContact OD1-ND2 2.98Å; D943-V946 HydrophobicContact CB-CG2 3.87Å; D943-V946 WeakPolarHBondContact O-CB 3.38Å; D943-V946 PolarHBondContact O-N 3.46Å; D943-V946 VanDerWaalsContact O-N 3.09Å
944	V	90.4	Very high	92.5	Very high	29 Å²	29	26.5 Å²	26.5	18%	0.176	14%	0.137	C	C	.	.	H	α-helix	trans	-55.8	-22.6	-179.5	-62.4	0	0	0	0	113.5	A825 S829 L942 T947 R948	A825-V944 HydrophobicContact CB-CB 4.29Å; A825-V944 HydrophobicContact CB-CG1 4.31Å; S829-V944 WeakPolarHBondContact OG-CG1 3.32Å; L942-V944 VanDerWaalsContact C-N 3.28Å; L942-V944 HydrophobicContact CB-CG1 4.27Å; L942-V944 PolarHBondContact O-N 3.21Å; V944-T947 PolarHBondContact O-N 2.78Å; V944-R948 WeakPolarHBondContact O-CB 3.45Å; V944-R948 WeakPolarHBondContact O-CD 3.31Å; V944-R948 WeakPolarHBondContact O-CG 3.5Å; V944-R948 PolarHBondContact O-N 2.73Å
945	N	89.4	Confident	92.6	Very high	76 Å²	76	27.3 Å²	27.3	41%	0.406	14%	0.14	S	C	.	.	H	α-helix	trans	-73.3	-32.6	-178.7	-51.2	-69.4	0	0	0	111.5	D943 T947 G949 H952	D943-N945 PolarHBondContact O-N 3.22Å; D943-N945 WeakPolarHBondContact OD1-CB 3.34Å; D943-N945 PolarHBondContact OD1-N 3.26Å; D943-N945 PolarHBondContact OD1-ND2 2.98Å; N945-T947 VanDerWaalsContact C-N 3.33Å; N945-G949 PolarHBondContact O-N 2.93Å; N945-H952 PolarHBondContact O-ND1 3.5Å
946	V	92.4	Very high	92.7	Very high	4 Å²	4	27.4 Å²	27.4	2%	0.024	14%	0.141	C	C	.	.	H	α-helix	trans	-64.5	-39.8	173.6	-177.2	0	0	0	0	110.6	V746 D748 D943 L954	V746-V946 HydrophobicContact CG2-CG1 3.93Å; V746-V946 WeakPolarHBondContact CG2-O 3.41Å; D748-V946 HydrophobicContact CB-CB 4.33Å; D748-V946 HydrophobicContact CB-CG1 4.14Å; D748-V946 HydrophobicContact CB-CG2 4.14Å; D943-V946 HydrophobicContact CB-CG2 3.87Å; D943-V946 WeakPolarHBondContact O-CB 3.38Å; D943-V946 PolarHBondContact O-N 3.46Å; D943-V946 VanDerWaalsContact O-N 3.09Å; V946-L954 HydrophobicContact CG1-CD1 4.07Å; V946-L954 HydrophobicContact CG1-CD2 4.03Å; V946-L954 HydrophobicContact CG1-CG 4.5Å
947	T	95.6	Very high	93	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-74	-43.3	179.3	-53.1	0	0	0	0	112.9	L745 V746 F747 R821 A825 V944 N945	L745-T947 HydrophobicContact CD1-CG2 3.63Å; V746-T947 VanDerWaalsContact O-CA 3.26Å; V746-T947 WeakPolarHBondContact O-CA 3.3Å; V746-T947 VanDerWaalsContact O-CB 3.3Å; V746-T947 WeakPolarHBondContact O-CB 3.48Å; V746-T947 WeakPolarHBondContact O-CG2 3.25Å; V746-T947 PolarHBondContact O-OG1 2.96Å; F747-T947 HydrophobicContact CD1-CG2 4.14Å; F747-T947 HydrophobicContact CE1-CG2 3.78Å; F747-T947 HydrophobicContact CZ-CG2 4.14Å; R821-T947 WeakPolarHBondContact CB-O 3.22Å; A825-T947 HydrophobicContact CB-CG2 3.92Å; V944-T947 PolarHBondContact O-N 2.78Å; N945-T947 VanDerWaalsContact C-N 3.33Å
948	R	94	Very high	93.3	Very high	96 Å²	96	26.9 Å²	26.9	36%	0.362	14%	0.138	S	C	.	.	H	α-helix	trans	-63.3	-41.2	-174.4	-78.7	166.1	174.5	-167.8	-2.6	113.8	A822 A825 D826 V944	A822-R948 HydrophobicContact CB-CG 3.9Å; A825-R948 HydrophobicContact CB-CG 4.42Å; D826-R948 IonicContact OD1-CZ 3.84Å; D826-R948 IonicContact OD1-NE 2.66Å; D826-R948 IonicContact OD1-NH2 2.69Å; D826-R948 PolarHBondContact OD1-NH2 3.38Å; D826-R948 IonicContact OD2-NH2 2.72Å; V944-R948 WeakPolarHBondContact O-CB 3.45Å; V944-R948 WeakPolarHBondContact O-CD 3.31Å; V944-R948 WeakPolarHBondContact O-CG 3.5Å; V944-R948 PolarHBondContact O-N 2.73Å
949	G	88.7	Confident	93.3	Very high	16 Å²	16	26.9 Å²	26.9	17%	0.165	14%	0.138	C	C	.	.			trans	-79.8	119.3	-171.9	0	0	0	0	0	114.5	K743 N945 N951 H952	K743-G949 WeakPolarHBondContact CE-O 3.37Å; N945-G949 PolarHBondContact O-N 2.93Å; G949-N951 VanDerWaalsContact C-N 3.26Å; G949-N951 PolarHBondContact O-N 3.17Å; G949-H952 VanDerWaalsContact O-CB 3.32Å; G949-H952 WeakPolarHBondContact O-CB 3.26Å; G949-H952 PolarHBondContact O-N 3.26Å
950	V	93.2	Very high	93.1	Very high	27 Å²	27	26.9 Å²	26.9	16%	0.164	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-35.6	172.2	-170.7	0	0	0	0	111.1	A723 A740 K743	A723-V950 WeakPolarHBondContact CB-O 3.49Å; A740-V950 HydrophobicContact CB-CG1 4.14Å; K743-V950 HydrophobicContact CB-CG1 4.42Å; K743-V950 VanDerWaalsContact CB-O 3.25Å; K743-V950 WeakPolarHBondContact CB-O 3.37Å; K743-V950 WeakPolarHBondContact CD-O 3.38Å; K743-V950 WeakPolarHBondContact CE-O 3.31Å
951	N	92.9	Very high	92.9	Very high	89 Å²	89	28 Å²	28	48%	0.476	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.2	9.3	177.5	66	-25.7	0	0	0	114	A740 G949	A740-N951 HydrophobicContact CB-CB 4.29Å; G949-N951 VanDerWaalsContact C-N 3.26Å; G949-N951 PolarHBondContact O-N 3.17Å
952	H	93.4	Very high	92.3	Very high	60 Å²	60	28 Å²	28	28%	0.278	15%	0.146	S	C	.	.			trans	-69.8	132.9	-178.7	-163	105.3	0	0	0	111.1	K743 N945 G949	K743-H952 VanDerWaalsContact CD-O 3.32Å; K743-H952 WeakPolarHBondContact CD-O 3.44Å; K743-H952 WeakPolarHBondContact CE-O 3.42Å; N945-H952 PolarHBondContact O-ND1 3.5Å; G949-H952 VanDerWaalsContact O-CB 3.32Å; G949-H952 WeakPolarHBondContact O-CB 3.26Å; G949-H952 PolarHBondContact O-N 3.26Å
953	L	95.5	Very high	91.5	Very high	18 Å²	18	33.7 Å²	33.7	9%	0.094	17%	0.17	C	C	.	.			trans	-92	127.6	-178.8	-80.5	170.4	0	0	0	110.9	E685 A687 Y695 R697 D720	E685-L953 HydrophobicContact CG-CD2 4.23Å; A687-L953 HydrophobicContact CB-CD1 3.69Å; A687-L953 HydrophobicContact CB-CD2 4.07Å; Y695-L953 HydrophobicContact CE1-CD1 3.8Å; Y695-L953 WeakPolarHBondContact OH-CD1 3.5Å; R697-L953 HydrophobicContact CG-CD1 4.41Å; D720-L953 HydrophobicContact CB-CB 4.02Å; D720-L953 HydrophobicContact CB-CD2 4.11Å
954	L	96.5	Very high	91.1	Very high	9 Å²	9	32 Å²	32	5%	0.047	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	146.1	179.7	-173.1	61	0	0	0	112	D720 I721 V746 H805 W807 V946 G956	D720-L954 WeakPolarHBondContact CA-O 3.43Å; I721-L954 PolarHBondContact N-O 3.36Å; I721-L954 PolarHBondContact O-N 3.47Å; V746-L954 HydrophobicContact CB-CD2 3.68Å; V746-L954 HydrophobicContact CG1-CD2 3.95Å; V746-L954 HydrophobicContact CG2-CD2 4.05Å; H805-L954 HydrophobicContact CB-CD2 4.04Å; W807-L954 HydrophobicContact CH2-CB 3.8Å; W807-L954 HydrophobicContact CH2-CD2 4.41Å; W807-L954 HydrophobicContact CH2-CG 4.28Å; W807-L954 HydrophobicContact CZ2-CB 3.82Å; W807-L954 HydrophobicContact CZ2-CD2 3.87Å; W807-L954 HydrophobicContact CZ2-CG 3.78Å; V946-L954 HydrophobicContact CG1-CD1 4.07Å; V946-L954 HydrophobicContact CG1-CD2 4.03Å; V946-L954 HydrophobicContact CG1-CG 4.5Å; L954-G956 PolarHBondContact O-N 3.31Å
955	K	95.3	Very high	90.9	Very high	19 Å²	19	30.7 Å²	30.7	8%	0.083	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.7	121.6	-174.7	-169.9	-165.9	-57.2	-177.3	0	111.3	K718 D720 S799 H805 C959 H961 C968	K718-K955 HydrophobicContact CG-CB 4.49Å; K718-K955 HydrophobicContact CG-CD 4.35Å; K718-K955 HydrophobicContact CG-CG 3.86Å; D720-K955 WeakPolarHBondContact OD1-CA 3.47Å; D720-K955 PolarHBondContact OD1-N 3Å; D720-K955 VanDerWaalsContact OD1-N 3.1Å; S799-K955 PolarHBondContact O-NZ 2.87Å; H805-K955 PolarHBondContact ND1-O 3.37Å; K955-C959 HydrophobicContact CD-CB 3.84Å; K955-C959 HydrophobicContact CG-CB 3.79Å; K955-H961 PolarHBondContact NZ-CD2 3.39Å; K955-C968 HydrophobicContact CD-CB 4.49Å; K955-C968 WeakPolarHBondContact CD-SG 3.25Å
956	G	93.6	Very high	91	Very high	2 Å²	2	28.7 Å²	28.7	2%	0.021	14%	0.142	C	C	.	.	P	Polyproline II helix	trans	-68.1	157.5	-180	0	0	0	0	0	114	I719 L954 C959	I719-G956 PolarHBondContact O-N 3.17Å; L954-G956 PolarHBondContact O-N 3.31Å; G956-C959 PolarHBondContact O-N 3.16Å; G956-C959 PolarHBondContact O-SG 3.42Å
957	P	96.6	Very high	91.1	Very high	4 Å²	4	28.5 Å²	28.5	3%	0.026	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.5	149.7	167.9	-19.3	30.8	0	0	0	111.6	W672 L795 I797 C959 F1031	W672-P957 HydrophobicContact CE3-CG 4.32Å; W672-P957 HydrophobicContact CH2-CG 3.79Å; W672-P957 HydrophobicContact CZ3-CG 3.52Å; L795-P957 HydrophobicContact CD2-CG 4.37Å; I797-P957 HydrophobicContact CD1-CB 3.86Å; I797-P957 HydrophobicContact CD1-CG 3.76Å; I797-P957 HydrophobicContact CG1-CB 4.44Å; I797-P957 HydrophobicContact CG1-CG 4.02Å; P957-C959 PolarHBondContact O-N 3.03Å; P957-F1031 HydrophobicContact CG-CE2 4.4Å
958	F	97.2	Very high	91.2	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.1	14.6	178.8	-49.2	-78.1	0	0	0	115.8	Y659 F664 P665 V669 I967 C968 P970 L1024 I1028 F1031	Y659-F958 WeakPolarHBondContact CE1-O 3.33Å; Y659-F958 PolarHBondContact OH-O 3.46Å; F664-F958 HydrophobicContact CD2-CB 3.92Å; F664-F958 WeakPolarHBondContact CD2-O 3.35Å; F664-F958 HydrophobicContact CE2-CB 3.78Å; F664-F958 WeakPolarHBondContact CE2-O 3.47Å; P665-F958 HydrophobicContact CG-CB 4.23Å; P665-F958 HydrophobicContact CG-CD1 4.1Å; P665-F958 HydrophobicContact CG-CD2 3.45Å; P665-F958 VanDerWaalsContact CG-CD2 3.45Å; P665-F958 HydrophobicContact CG-CE1 4.37Å; P665-F958 HydrophobicContact CG-CE2 3.79Å; P665-F958 HydrophobicContact CG-CG 3.64Å; P665-F958 HydrophobicContact CG-CZ 4.22Å; V669-F958 HydrophobicContact CG2-CD2 4.47Å; F958-I967 HydrophobicContact CB-CG2 4.38Å; F958-I967 HydrophobicContact CD1-CG2 4.11Å; F958-C968 PolarHBondContact N-O 3.19Å; F958-P970 HydrophobicContact CE2-CG 4.3Å; F958-P970 HydrophobicContact CZ-CG 3.84Å; F958-L1024 HydrophobicContact CD1-CD1 4.19Å; F958-L1024 HydrophobicContact CE1-CD1 4.29Å; F958-I1028 HydrophobicContact CD1-CG1 4.29Å; F958-I1028 HydrophobicContact CE1-CD1 4.47Å; F958-I1028 HydrophobicContact CE1-CG1 3.53Å; F958-I1028 HydrophobicContact CZ-CG1 3.82Å; F958-F1031 HydrophobicContact CD2-CD1 4.47Å; F958-F1031 HydrophobicContact CD2-CE1 4.46Å; F958-F1031 HydrophobicContact CE2-CB 4.12Å; F958-F1031 AromaticContact CE2-CD1 3.47Å; F958-F1031 HydrophobicContact CE2-CD1 3.47Å; F958-F1031 VanDerWaalsContact CE2-CD1 3.47Å; F958-F1031 HydrophobicContact CE2-CD2 4.34Å; F958-F1031 AromaticContact CE2-CE1 3.81Å; F958-F1031 HydrophobicContact CE2-CE1 3.81Å; F958-F1031 AromaticContact CE2-CG 3.75Å; F958-F1031 HydrophobicContact CE2-CG 3.75Å; F958-F1031 HydrophobicContact CE2-CZ 4.41Å; F958-F1031 HydrophobicContact CZ-CB 3.94Å; F958-F1031 HydrophobicContact CZ-CD1 4.08Å; F958-F1031 HydrophobicContact CZ-CG 4.11Å
959	C	94.2	Very high	91.4	Very high	1 Å²	1	24 Å²	24	1%	0.007	12%	0.123	C	C	.	.	P	Polyproline II helix	trans	-64.6	150.5	159.9	-67	0	0	0	0	110.6	I719 K955 G956 P957 C968	I719-C959 PolarHBondContact N-SG 2.69Å; I719-C959 VanDerWaalsContact N-SG 3.38Å; I719-C959 PolarHBondContact O-SG 3.37Å; K955-C959 HydrophobicContact CD-CB 3.84Å; K955-C959 HydrophobicContact CG-CB 3.79Å; G956-C959 PolarHBondContact O-N 3.16Å; G956-C959 PolarHBondContact O-SG 3.42Å; P957-C959 PolarHBondContact O-N 3.03Å; C959-C968 HydrophobicContact CB-CB 4.45Å; C959-C968 WeakPolarHBondContact O-CB 3.1Å; C959-C968 PolarHBondContact O-N 3.01Å; C959-C968 PolarHBondContact O-SG 3.43Å
960	V	91.4	Very high	91.8	Very high	1 Å²	1	23.2 Å²	23.2	1%	0.006	12%	0.116	C	C	.	.	B	Isolated β-bridge	trans	-84.3	140.4	166.1	-168	0	0	0	0	108.2	L652 L656 Y659 G965 I967 L987	L652-V960 HydrophobicContact CD1-CB 4.26Å; L652-V960 HydrophobicContact CD1-CG1 3.63Å; L656-V960 HydrophobicContact CD2-CB 4Å; L656-V960 HydrophobicContact CD2-CG2 3.52Å; Y659-V960 HydrophobicContact CD1-CG2 3.94Å; Y659-V960 HydrophobicContact CE1-CG2 3.94Å; Y659-V960 HydrophobicContact CG-CG2 4.43Å; V960-G965 WeakPolarHBondContact CG1-O 3.43Å; V960-I967 HydrophobicContact CB-CD1 4.45Å; V960-I967 HydrophobicContact CG1-CD1 4.39Å; V960-I967 HydrophobicContact CG2-CD1 3.78Å; V960-L987 HydrophobicContact CG1-CB 4.11Å; V960-L987 HydrophobicContact CG1-CD2 4.22Å; V960-L987 HydrophobicContact CG2-CD2 4.41Å
961	H	89.5	Confident	92.1	Very high	25 Å²	25	22.2 Å²	22.2	12%	0.116	11%	0.109	C	C	.	.	P	Polyproline II helix	trans	-88.5	116.1	171.3	-179.4	-62.3	0	0	0	109.8	R801 K955 K963 T964 G965 K966	R801-H961 WeakPolarHBondContact CB-NE2 3.48Å; K955-H961 PolarHBondContact NZ-CD2 3.39Å; H961-K963 PolarHBondContact ND1-N 2.77Å; H961-K963 PolarHBondContact O-N 3.15Å; H961-T964 WeakPolarHBondContact CB-OG1 3.26Å; H961-T964 PolarHBondContact ND1-OG1 2.87Å; H961-T964 PolarHBondContact O-N 2.98Å; H961-T964 VanDerWaalsContact O-N 3.07Å; H961-T964 PolarHBondContact O-OG1 2.7Å; H961-G965 PolarHBondContact O-N 3.15Å; H961-K966 PolarHBondContact N-O 2.92Å
962	P	77.2	Confident	92.2	Very high	25 Å²	25	19.9 Å²	19.9	16%	0.162	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-42.1	-165.5	19.3	-32	0	0	0	113.4	L652 T964	L652-P962 HydrophobicContact CD2-CB 3.68Å; P962-T964 VanDerWaalsContact C-N 3.3Å; P962-T964 PolarHBondContact O-N 3.44Å
963	K	74.8	Confident	92.3	Very high	145 Å²	145	20.1 Å²	20.1	63%	0.63	10%	0.099	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.5	0.7	-178.9	-47.5	-171.5	173.4	-171.1	0	115.9	H961	H961-K963 PolarHBondContact ND1-N 2.77Å; H961-K963 PolarHBondContact O-N 3.15Å
964	T	80.4	Confident	92.2	Very high	27 Å²	27	24 Å²	24	17%	0.166	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-138.6	-9.9	-174.9	60.3	0	0	0	0	113.7	G800 R801 H961 P962 K966 R986	G800-T964 PolarHBondContact O-OG1 3.34Å; R801-T964 HydrophobicContact CB-CG2 4.11Å; R801-T964 HydrophobicContact CG-CG2 3.94Å; H961-T964 WeakPolarHBondContact CB-OG1 3.26Å; H961-T964 PolarHBondContact ND1-OG1 2.87Å; H961-T964 PolarHBondContact O-N 2.98Å; H961-T964 VanDerWaalsContact O-N 3.07Å; H961-T964 PolarHBondContact O-OG1 2.7Å; P962-T964 VanDerWaalsContact C-N 3.3Å; P962-T964 PolarHBondContact O-N 3.44Å; T964-K966 PolarHBondContact O-N 3.11Å; T964-K966 PolarHBondContact OG1-N 3.41Å; T964-R986 VanDerWaalsContact O-CD 3.25Å; T964-R986 WeakPolarHBondContact O-CD 3.39Å
965	G	86.3	Confident	92	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.151	C	C	.	.			trans	64	-7.7	-170.7	0	0	0	0	0	115	V960 H961 R986 L987	V960-G965 WeakPolarHBondContact CG1-O 3.43Å; H961-G965 PolarHBondContact O-N 3.15Å; G965-R986 CarbonylContact O-C 3.33Å; G965-R986 VanDerWaalsContact O-CA 3.26Å; G965-R986 WeakPolarHBondContact O-CA 3.33Å; G965-L987 PolarHBondContact O-N 3.06Å
966	K	91.6	Very high	92	Very high	35 Å²	35	28.1 Å²	28.1	15%	0.152	15%	0.151	C	C	.	.	B	Isolated β-bridge	trans	-72.2	141.5	-172.7	-69.5	-179.3	-178.5	-178.4	0	112.1	Y798 G800 H961 T964 P981 V984 P985 R986	Y798-K966 HydrophobicContact CE1-CB 4.35Å; Y798-K966 HydrophobicContact CE1-CD 4.02Å; G800-K966 WeakPolarHBondContact O-CB 3.34Å; H961-K966 PolarHBondContact N-O 2.92Å; T964-K966 PolarHBondContact O-N 3.11Å; T964-K966 PolarHBondContact OG1-N 3.41Å; K966-P981 WeakPolarHBondContact CE-O 3.5Å; K966-P981 PolarHBondContact NZ-O 3.36Å; K966-V984 HydrophobicContact CB-CG1 4.22Å; K966-V984 HydrophobicContact CD-CB 4.42Å; K966-P985 WeakPolarHBondContact CA-O 3.49Å; K966-R986 HydrophobicContact CG-CG 3.71Å
967	I	95.5	Very high	91.8	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	18%	0.177	C	C	.	.	B	Isolated β-bridge	trans	-77.4	139.2	174.5	-50.7	-51.4	0	0	0	110.5	Y659 F958 V960 V969 V984 P985 L990 L1024	Y659-I967 HydrophobicContact CD2-CD1 4.3Å; Y659-I967 HydrophobicContact CE2-CD1 3.63Å; Y659-I967 HydrophobicContact CE2-CG1 4.31Å; F958-I967 HydrophobicContact CB-CG2 4.38Å; F958-I967 HydrophobicContact CD1-CG2 4.11Å; V960-I967 HydrophobicContact CB-CD1 4.45Å; V960-I967 HydrophobicContact CG1-CD1 4.39Å; V960-I967 HydrophobicContact CG2-CD1 3.78Å; I967-V969 VanDerWaalsContact C-N 3.29Å; I967-V969 HydrophobicContact CB-CG1 3.98Å; I967-V969 HydrophobicContact CG2-CG1 3.94Å; I967-V969 PolarHBondContact O-N 2.85Å; I967-V984 VanDerWaalsContact O-CG1 3.24Å; I967-V984 WeakPolarHBondContact O-CG1 3.47Å; I967-P985 PolarHBondContact N-O 3.01Å; I967-L990 HydrophobicContact CD1-CD1 4.06Å; I967-L990 HydrophobicContact CG1-CD1 3.62Å; I967-L1024 HydrophobicContact CB-CD1 4.27Å; I967-L1024 HydrophobicContact CG1-CD1 4.36Å; I967-L1024 HydrophobicContact CG2-CD1 3.89Å
968	C	97.5	Very high	91.6	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	20%	0.2	C	C	.	.			trans	-77.8	77.1	176.6	-57.8	0	0	0	0	110.4	I797 Y798 S799 K955 F958 C959	I797-C968 HydrophobicContact CG2-CB 4.21Å; Y798-C968 CarbonylContact O-C 3.52Å; Y798-C968 WeakPolarHBondContact O-CA 3.44Å; Y798-C968 WeakPolarHBondContact O-CB 3.4Å; S799-C968 PolarHBondContact O-SG 3.37Å; S799-C968 VanDerWaalsContact O-SG 3.34Å; K955-C968 HydrophobicContact CD-CB 4.49Å; K955-C968 WeakPolarHBondContact CD-SG 3.25Å; F958-C968 PolarHBondContact N-O 3.19Å; C959-C968 HydrophobicContact CB-CB 4.45Å; C959-C968 WeakPolarHBondContact O-CB 3.1Å; C959-C968 PolarHBondContact O-N 3.01Å; C959-C968 PolarHBondContact O-SG 3.43Å
969	V	97.9	Very high	91.5	Very high	0 Å²	0	37 Å²	37	0%	0	21%	0.205	C	C	.	.	P	Polyproline II helix	trans	-85	149.8	-170.6	-67.7	0	0	0	0	113.8	Y798 I967 F979 V984 L1024 Y1027	Y798-V969 HydrophobicContact CD1-CG2 4.47Å; Y798-V969 PolarHBondContact N-O 3.02Å; I967-V969 VanDerWaalsContact C-N 3.29Å; I967-V969 HydrophobicContact CB-CG1 3.98Å; I967-V969 HydrophobicContact CG2-CG1 3.94Å; I967-V969 PolarHBondContact O-N 2.85Å; V969-F979 HydrophobicContact CG2-CE2 4.05Å; V969-F979 HydrophobicContact CG2-CZ 4.07Å; V969-V984 HydrophobicContact CG1-CG1 4.24Å; V969-V984 HydrophobicContact CG2-CB 4.45Å; V969-V984 HydrophobicContact CG2-CG1 3.69Å; V969-V984 HydrophobicContact CG2-CG2 3.93Å; V969-L1024 HydrophobicContact CG1-CD1 3.96Å; V969-Y1027 HydrophobicContact CB-CD1 3.5Å; V969-Y1027 VanDerWaalsContact CB-CD1 3.5Å; V969-Y1027 HydrophobicContact CB-CD2 4.47Å; V969-Y1027 HydrophobicContact CB-CE1 4.11Å; V969-Y1027 HydrophobicContact CB-CG 3.69Å; V969-Y1027 HydrophobicContact CG1-CD1 3.93Å; V969-Y1027 HydrophobicContact CG1-CD2 3.98Å; V969-Y1027 HydrophobicContact CG1-CE1 4.48Å; V969-Y1027 HydrophobicContact CG1-CG 3.62Å; V969-Y1027 HydrophobicContact CG2-CD1 3.62Å; V969-Y1027 HydrophobicContact CG2-CE1 3.71Å; V969-Y1027 HydrophobicContact CG2-CG 4.22Å
970	P	98.1	Very high	91.3	Very high	1 Å²	1	39.1 Å²	39.1	1%	0.006	22%	0.216	C	C	.	.	B	Isolated β-bridge	trans	-61.6	148.5	166.3	-21	31.4	0	0	0	113.6	L795 W796 I797 F958 V1030 F1031	L795-P970 HydrophobicContact CD1-CB 4.14Å; W796-P970 CarbonylContact O-C 3.54Å; W796-P970 WeakPolarHBondContact O-CA 3.17Å; I797-P970 HydrophobicContact CD1-CB 3.97Å; I797-P970 HydrophobicContact CD1-CG 3.81Å; F958-P970 HydrophobicContact CE2-CG 4.3Å; F958-P970 HydrophobicContact CZ-CG 3.84Å; P970-V1030 HydrophobicContact CB-CB 4.39Å; P970-V1030 HydrophobicContact CB-CG1 3.94Å; P970-F1031 HydrophobicContact CG-CB 4Å; P970-F1031 HydrophobicContact CG-CD2 4.32Å; P970-F1031 HydrophobicContact CG-CG 4.43Å
971	I	97.8	Very high	91.2	Very high	5 Å²	5	39.2 Å²	39.2	3%	0.026	22%	0.216	C	C	.	.	P	Polyproline II helix	trans	-99.9	128.4	175	-57.9	178.8	0	0	0	108.2	I778 W796 V804 M973 L976 F979	I778-I971 HydrophobicContact CD1-CD1 4.17Å; W796-I971 HydrophobicContact CB-CB 4.25Å; W796-I971 PolarHBondContact O-N 3.47Å; V804-I971 HydrophobicContact CG1-CD1 3.65Å; I971-M973 PolarHBondContact O-N 2.82Å; I971-L976 HydrophobicContact CG2-CD1 3.8Å; I971-F979 HydrophobicContact CB-CD2 4.32Å; I971-F979 HydrophobicContact CD1-CE1 4.44Å; I971-F979 HydrophobicContact CG1-CD2 3.97Å; I971-F979 HydrophobicContact CG1-CE1 4.42Å; I971-F979 HydrophobicContact CG1-CE2 3.82Å; I971-F979 HydrophobicContact CG1-CG 4.35Å; I971-F979 HydrophobicContact CG1-CZ 4.06Å; I971-F979 HydrophobicContact CG2-CB 4.25Å; I971-F979 HydrophobicContact CG2-CD2 4.05Å; I971-F979 HydrophobicContact CG2-CG 4.16Å
972	D	96.4	Very high	91	Very high	41 Å²	41	43.1 Å²	43.1	22%	0.219	24%	0.235	C	C	.	.			trans	-78.7	104.2	173.6	-164.3	-30	0	0	0	109.6	S974 N975 L976 V1030 R1033	D972-S974 VanDerWaalsContact CG-OG 3.29Å; D972-S974 PolarHBondContact O-N 2.94Å; D972-S974 VanDerWaalsContact O-N 3.15Å; D972-S974 WeakPolarHBondContact OD1-CB 3.12Å; D972-S974 PolarHBondContact OD1-N 3.39Å; D972-S974 PolarHBondContact OD1-OG 2.83Å; D972-N975 CarbonylContact O-C 3.57Å; D972-N975 PolarHBondContact O-N 2.82Å; D972-L976 PolarHBondContact O-N 2.8Å; D972-V1030 HydrophobicContact CB-CG1 4.3Å; D972-V1030 HydrophobicContact CB-CG2 3.84Å; D972-R1033 IonicContact OD1-NH1 2.77Å; D972-R1033 IonicContact OD2-CZ 2.7Å; D972-R1033 IonicContact OD2-NH1 3.51Å; D972-R1033 PolarHBondContact OD2-NH1 3.27Å; D972-R1033 IonicContact OD2-NH2 3.52Å; D972-R1033 PolarHBondContact OD2-NH2 2.64Å
973	M	95.4	Very high	91.5	Very high	64 Å²	64	45.4 Å²	45.4	32%	0.315	25%	0.252	S	S	.	.	G	3₁₀ helix	trans	-59.5	-23.3	-179.6	-67.7	-58.6	-72.2	0	0	113.7	I778 D782 W796 I971 N975	I778-M973 HydrophobicContact CG2-CE 3.53Å; I778-M973 HydrophobicContact CG2-SD 3.83Å; D782-M973 HydrophobicContact CB-CE 3.76Å; D782-M973 VanDerWaalsContact CG-CE 3.47Å; W796-M973 HydrophobicContact CB-SD 4.13Å; W796-M973 HydrophobicContact CG-SD 3.85Å; I971-M973 PolarHBondContact O-N 2.82Å; M973-N975 PolarHBondContact O-N 3.5Å
974	S	93	Very high	92.4	Very high	99 Å²	99	38.5 Å²	38.5	69%	0.692	22%	0.222	S	C	*	.	G	3₁₀ helix	trans	-72.4	-11.2	174.5	69.6	0	0	0	0	113.8	D972	D972-S974 VanDerWaalsContact CG-OG 3.29Å; D972-S974 PolarHBondContact O-N 2.94Å; D972-S974 VanDerWaalsContact O-N 3.15Å; D972-S974 WeakPolarHBondContact OD1-CB 3.12Å; D972-S974 PolarHBondContact OD1-N 3.39Å; D972-S974 PolarHBondContact OD1-OG 2.83Å
975	N	92.5	Very high	92.9	Very high	101 Å²	101	37.4 Å²	37.4	54%	0.54	22%	0.215	S	C	.	.	G	3₁₀ helix	trans	-143.6	38.1	-177.3	-164	22.2	0	0	0	111.9	D972 M973 D977 A978	D972-N975 CarbonylContact O-C 3.57Å; D972-N975 PolarHBondContact O-N 2.82Å; M973-N975 PolarHBondContact O-N 3.5Å; N975-D977 VanDerWaalsContact C-N 3.3Å; N975-D977 PolarHBondContact O-N 3.4Å; N975-A978 WeakPolarHBondContact ND2-CB 3.24Å; N975-A978 PolarHBondContact O-N 3.07Å; N975-A978 VanDerWaalsContact O-N 3.09Å; N975-A978 VanDerWaalsContact OD1-CB 3.26Å; N975-A978 WeakPolarHBondContact OD1-CB 3.4Å
976	L	94.2	Very high	93	Very high	15 Å²	15	40 Å²	40	8%	0.079	23%	0.225	C	C	.	.	G	3₁₀ helix	trans	-51.6	-45.1	-174.6	176.2	61.6	0	0	0	113.1	V775 I778 R779 I971 D972 A978 F979	V775-L976 HydrophobicContact CG1-CD2 4.1Å; V775-L976 HydrophobicContact CG1-CG 4.19Å; I778-L976 HydrophobicContact CB-CD1 4.46Å; I778-L976 HydrophobicContact CB-CD2 4.12Å; I778-L976 HydrophobicContact CD1-CD1 3.74Å; I778-L976 HydrophobicContact CG2-CD1 4.01Å; I778-L976 HydrophobicContact CG2-CD2 3.62Å; I778-L976 HydrophobicContact CG2-CG 4.49Å; R779-L976 HydrophobicContact CG-CD2 3.94Å; I971-L976 HydrophobicContact CG2-CD1 3.8Å; D972-L976 PolarHBondContact O-N 2.8Å; L976-A978 PolarHBondContact O-N 2.66Å; L976-F979 WeakPolarHBondContact O-CB 3.28Å; L976-F979 PolarHBondContact O-N 3.42Å
977	D	91.2	Very high	92.8	Very high	107 Å²	107	38.5 Å²	38.5	57%	0.572	22%	0.218	S	C	*	.	G	3₁₀ helix	trans	-66.3	-18	-176.3	-61.8	-20.4	0	0	0	113.6	R779 N975	R779-D977 IonicContact CZ-OD1 2.72Å; R779-D977 IonicContact NE-OD1 2.68Å; R779-D977 IonicContact NH2-OD1 2.67Å; R779-D977 PolarHBondContact NH2-OD1 3.02Å; R779-D977 IonicContact NH2-OD2 3.34Å; R779-D977 PolarHBondContact NH2-OD2 2.95Å; N975-D977 VanDerWaalsContact C-N 3.3Å; N975-D977 PolarHBondContact O-N 3.4Å
978	A	91.8	Very high	91.9	Very high	61 Å²	61	40.1 Å²	40.1	50%	0.504	23%	0.227	S	C	.	.	G	3₁₀ helix	trans	-92.3	-5.6	176.3	0	0	0	0	0	113.5	N975 L976 N980	N975-A978 WeakPolarHBondContact ND2-CB 3.24Å; N975-A978 PolarHBondContact O-N 3.07Å; N975-A978 VanDerWaalsContact O-N 3.09Å; N975-A978 VanDerWaalsContact OD1-CB 3.26Å; N975-A978 WeakPolarHBondContact OD1-CB 3.4Å; L976-A978 PolarHBondContact O-N 2.66Å; A978-N980 PolarHBondContact O-N 2.84Å; A978-N980 VanDerWaalsContact O-N 3.14Å
979	F	94.3	Very high	91.1	Very high	24 Å²	24	42 Å²	42	11%	0.105	24%	0.236	C	C	.	.			trans	-70.8	109.6	178.2	-174	-84.4	0	0	0	110.4	W771 Y798 V969 I971 L976 P981 V984 Y1027	W771-F979 AromaticContact CE2-CD1 3.99Å; W771-F979 HydrophobicContact CH2-CD1 4.39Å; W771-F979 HydrophobicContact CH2-CE1 4.19Å; W771-F979 AromaticContact CZ2-CD1 3.47Å; W771-F979 HydrophobicContact CZ2-CD1 3.47Å; W771-F979 VanDerWaalsContact CZ2-CD1 3.47Å; W771-F979 AromaticContact CZ2-CE1 3.7Å; W771-F979 HydrophobicContact CZ2-CE1 3.7Å; W771-F979 PolarHBondContact NE1-O 2.96Å; W771-F979 VanDerWaalsContact NE1-O 3.1Å; Y798-F979 HydrophobicContact CD1-CZ 4.38Å; Y798-F979 HydrophobicContact CD2-CE1 4.32Å; Y798-F979 HydrophobicContact CG-CE1 4.19Å; Y798-F979 HydrophobicContact CG-CZ 4Å; V969-F979 HydrophobicContact CG2-CE2 4.05Å; V969-F979 HydrophobicContact CG2-CZ 4.07Å; I971-F979 HydrophobicContact CB-CD2 4.32Å; I971-F979 HydrophobicContact CD1-CE1 4.44Å; I971-F979 HydrophobicContact CG1-CD2 3.97Å; I971-F979 HydrophobicContact CG1-CE1 4.42Å; I971-F979 HydrophobicContact CG1-CE2 3.82Å; I971-F979 HydrophobicContact CG1-CG 4.35Å; I971-F979 HydrophobicContact CG1-CZ 4.06Å; I971-F979 HydrophobicContact CG2-CB 4.25Å; I971-F979 HydrophobicContact CG2-CD2 4.05Å; I971-F979 HydrophobicContact CG2-CG 4.16Å; L976-F979 WeakPolarHBondContact O-CB 3.28Å; L976-F979 PolarHBondContact O-N 3.42Å; F979-P981 HydrophobicContact CD1-CG 4.4Å; F979-P981 HydrophobicContact CE1-CG 4.17Å; F979-V984 HydrophobicContact CE1-CG2 4.17Å; F979-V984 HydrophobicContact CE2-CG2 4.26Å; F979-V984 HydrophobicContact CZ-CG2 3.57Å; F979-Y1027 HydrophobicContact CE2-CE1 4.16Å
980	N	90	Very high	90.5	Very high	45 Å²	45	42 Å²	42	24%	0.241	24%	0.236	C	C	.	.			trans	-103.5	115.6	173.2	-178.4	-3.9	0	0	0	110.7	N768 A978 E982 S983	N768-N980 PolarHBondContact OD1-OD1 2.92Å; A978-N980 PolarHBondContact O-N 2.84Å; A978-N980 VanDerWaalsContact O-N 3.14Å; N980-E982 PolarHBondContact ND2-OE2 3.03Å; N980-E982 PolarHBondContact O-N 2.81Å; N980-E982 VanDerWaalsContact O-N 3.15Å; N980-E982 VanDerWaalsContact OD1-CB 3.25Å; N980-E982 WeakPolarHBondContact OD1-CB 3.35Å; N980-E982 WeakPolarHBondContact OD1-CG 3.11Å; N980-E982 PolarHBondContact OD1-N 3Å; N980-S983 PolarHBondContact O-N 3.07Å; N980-S983 VanDerWaalsContact O-N 3.1Å; N980-S983 PolarHBondContact O-OG 2.82Å
981	P	90	Very high	89.8	Confident	3 Å²	3	43 Å²	43	2%	0.019	24%	0.239	C	C	.	.	G	3₁₀ helix	trans	-55.3	-26.6	173.2	-26.4	35.1	0	0	0	114.9	M766 W771 Y798 K966 F979	M766-P981 HydrophobicContact CE-CB 3.74Å; M766-P981 HydrophobicContact CE-CG 3.69Å; M766-P981 HydrophobicContact SD-CB 4.35Å; M766-P981 HydrophobicContact SD-CG 4.06Å; W771-P981 HydrophobicContact CD2-CG 3.34Å; W771-P981 VanDerWaalsContact CE2-CG 3.44Å; W771-P981 HydrophobicContact CE3-CG 3.55Å; W771-P981 HydrophobicContact CG-CG 3.87Å; W771-P981 HydrophobicContact CH2-CG 3.91Å; W771-P981 HydrophobicContact CZ2-CG 3.76Å; W771-P981 HydrophobicContact CZ3-CG 3.82Å; Y798-P981 HydrophobicContact CE2-CB 3.94Å; Y798-P981 HydrophobicContact CE2-CG 4.42Å; K966-P981 WeakPolarHBondContact CE-O 3.5Å; K966-P981 PolarHBondContact NZ-O 3.36Å; F979-P981 HydrophobicContact CD1-CG 4.4Å; F979-P981 HydrophobicContact CE1-CG 4.17Å
982	E	85.3	Confident	88.7	Confident	107 Å²	107	43.2 Å²	43.2	50%	0.5	24%	0.242	S	C	.	.	G	3₁₀ helix	trans	-71.9	-27.4	178.6	-59.3	170.6	155.5	0	0	112.7	N768 N980	N768-E982 PolarHBondContact ND2-OE2 2.84Å; N980-E982 PolarHBondContact ND2-OE2 3.03Å; N980-E982 PolarHBondContact O-N 2.81Å; N980-E982 VanDerWaalsContact O-N 3.15Å; N980-E982 VanDerWaalsContact OD1-CB 3.25Å; N980-E982 WeakPolarHBondContact OD1-CB 3.35Å; N980-E982 WeakPolarHBondContact OD1-CG 3.11Å; N980-E982 PolarHBondContact OD1-N 3Å
983	S	88.4	Confident	88	Confident	74 Å²	74	42.8 Å²	42.8	52%	0.517	24%	0.238	S	C	.	.	G	3₁₀ helix	trans	-93.6	6.7	178.3	58.1	0	0	0	0	114.5	N980 Y1027	N980-S983 PolarHBondContact O-N 3.07Å; N980-S983 VanDerWaalsContact O-N 3.1Å; N980-S983 PolarHBondContact O-OG 2.82Å; S983-Y1027 PolarHBondContact O-OH 3.14Å
984	V	92.5	Very high	87.2	Confident	0 Å²	0	40 Å²	40	0%	0	22%	0.224	C	C	.	.	S	Bend	trans	-70.9	126.4	173.5	174.2	0	0	0	0	108.9	Y798 K966 I967 V969 F979 R986	Y798-V984 HydrophobicContact CD1-CB 4.3Å; Y798-V984 HydrophobicContact CD1-CG1 3.98Å; Y798-V984 HydrophobicContact CD1-CG2 3.85Å; Y798-V984 HydrophobicContact CE1-CB 4.1Å; Y798-V984 HydrophobicContact CE1-CG1 4.03Å; Y798-V984 HydrophobicContact CE1-CG2 3.93Å; K966-V984 HydrophobicContact CB-CG1 4.22Å; K966-V984 HydrophobicContact CD-CB 4.42Å; I967-V984 VanDerWaalsContact O-CG1 3.24Å; I967-V984 WeakPolarHBondContact O-CG1 3.47Å; V969-V984 HydrophobicContact CG1-CG1 4.24Å; V969-V984 HydrophobicContact CG2-CB 4.45Å; V969-V984 HydrophobicContact CG2-CG1 3.69Å; V969-V984 HydrophobicContact CG2-CG2 3.93Å; F979-V984 HydrophobicContact CE1-CG2 4.17Å; F979-V984 HydrophobicContact CE2-CG2 4.26Å; F979-V984 HydrophobicContact CZ-CG2 3.57Å; V984-R986 PolarHBondContact O-N 2.98Å
985	P	91.4	Very high	86.3	Confident	4 Å²	4	39.2 Å²	39.2	3%	0.026	21%	0.209	C	C	.	.	P	Polyproline II helix	trans	-55.1	137.1	-177.5	-26.5	33.7	0	0	0	112.6	K966 I967 L990 Y1027	K966-P985 WeakPolarHBondContact CA-O 3.49Å; I967-P985 PolarHBondContact N-O 3.01Å; P985-L990 HydrophobicContact CB-CD1 4.06Å; P985-L990 HydrophobicContact CB-CD2 4.02Å; P985-L990 HydrophobicContact CB-CG 3.96Å; P985-Y1027 HydrophobicContact CG-CD2 4.32Å; P985-Y1027 HydrophobicContact CG-CE2 3.79Å
986	R	87.4	Confident	85.3	Confident	54 Å²	54	37.3 Å²	37.3	20%	0.204	20%	0.196	C	C	.	.	B	Isolated β-bridge	trans	-96.1	160	167.1	-57.9	-173.2	-51.3	-70	-5.2	112.4	T964 G965 K966 V984 D988 E989 L990	T964-R986 VanDerWaalsContact O-CD 3.25Å; T964-R986 WeakPolarHBondContact O-CD 3.39Å; G965-R986 CarbonylContact O-C 3.33Å; G965-R986 VanDerWaalsContact O-CA 3.26Å; G965-R986 WeakPolarHBondContact O-CA 3.33Å; K966-R986 HydrophobicContact CG-CG 3.71Å; V984-R986 PolarHBondContact O-N 2.98Å; R986-D988 VanDerWaalsContact C-N 3.32Å; R986-D988 WeakPolarHBondContact CB-OD1 3.17Å; R986-D988 IonicContact CZ-OD1 3.4Å; R986-D988 IonicContact CZ-OD2 3.82Å; R986-D988 IonicContact NE-OD1 2.69Å; R986-D988 PolarHBondContact NE-OD1 3.44Å; R986-D988 IonicContact NE-OD2 2.61Å; R986-D988 PolarHBondContact NE-OD2 2.97Å; R986-D988 IonicContact NH2-OD1 2.8Å; R986-D988 IonicContact NH2-OD2 3.34Å; R986-D988 PolarHBondContact NH2-OD2 2.88Å; R986-D988 PolarHBondContact O-N 2.95Å; R986-E989 HydrophobicContact CB-CG 4.08Å; R986-E989 IonicContact CZ-OE1 2.78Å; R986-E989 IonicContact CZ-OE2 3.26Å; R986-E989 PolarHBondContact N-OE2 3.35Å; R986-E989 IonicContact NH1-OE1 3.56Å; R986-E989 PolarHBondContact NH1-OE1 3.01Å; R986-E989 IonicContact NH1-OE2 2.71Å; R986-E989 PolarHBondContact NH1-OE2 3.29Å; R986-E989 IonicContact NH2-OE1 3.34Å; R986-E989 PolarHBondContact NH2-OE1 2.95Å; R986-E989 PolarHBondContact O-N 3.34Å; R986-L990 WeakPolarHBondContact O-CG 3.3Å; R986-L990 PolarHBondContact O-N 2.87Å
987	L	88.2	Confident	84.3	Confident	3 Å²	3	37.4 Å²	37.4	2%	0.016	20%	0.197	C	C	.	.	H	α-helix	trans	-60.3	-37.6	179.2	-179.7	60.7	0	0	0	112.8	F647 L652 F655 L656 Y659 V960 G965 R991	F647-L987 HydrophobicContact CE2-CB 4.36Å; F647-L987 HydrophobicContact CZ-CB 4.44Å; F647-L987 HydrophobicContact CZ-CD2 4.5Å; L652-L987 HydrophobicContact CD1-CD2 3.79Å; F655-L987 HydrophobicContact CB-CD1 4.08Å; F655-L987 HydrophobicContact CB-CD2 3.73Å; F655-L987 HydrophobicContact CB-CG 3.76Å; F655-L987 HydrophobicContact CD2-CG 4.43Å; L656-L987 HydrophobicContact CD2-CD2 4.32Å; L656-L987 HydrophobicContact CG-CD2 4.3Å; Y659-L987 HydrophobicContact CD2-CD1 3.91Å; Y659-L987 HydrophobicContact CG-CD1 3.9Å; V960-L987 HydrophobicContact CG1-CB 4.11Å; V960-L987 HydrophobicContact CG1-CD2 4.22Å; V960-L987 HydrophobicContact CG2-CD2 4.41Å; G965-L987 PolarHBondContact O-N 3.06Å; L987-R991 VanDerWaalsContact O-CB 3.3Å; L987-R991 WeakPolarHBondContact O-CB 3.34Å; L987-R991 PolarHBondContact O-N 3.43Å
988	D	76.5	Confident	83.4	Confident	34 Å²	34	34.7 Å²	34.7	18%	0.182	18%	0.183	C	C	.	.	H	α-helix	trans	-63.8	-41.6	174.8	58.4	-61.2	0	0	0	111.7	F647 R986 R991 C992	F647-D988 HydrophobicContact CD2-CB 4.31Å; F647-D988 HydrophobicContact CE2-CB 4.23Å; R986-D988 VanDerWaalsContact C-N 3.32Å; R986-D988 WeakPolarHBondContact CB-OD1 3.17Å; R986-D988 IonicContact CZ-OD1 3.4Å; R986-D988 IonicContact CZ-OD2 3.82Å; R986-D988 IonicContact NE-OD1 2.69Å; R986-D988 PolarHBondContact NE-OD1 3.44Å; R986-D988 IonicContact NE-OD2 2.61Å; R986-D988 PolarHBondContact NE-OD2 2.97Å; R986-D988 IonicContact NH2-OD1 2.8Å; R986-D988 IonicContact NH2-OD2 3.34Å; R986-D988 PolarHBondContact NH2-OD2 2.88Å; R986-D988 PolarHBondContact O-N 2.95Å; D988-R991 PolarHBondContact O-N 3.42Å; D988-C992 WeakPolarHBondContact O-CB 3.49Å; D988-C992 PolarHBondContact O-N 2.95Å; D988-C992 PolarHBondContact O-SG 3.22Å
989	E	81.9	Confident	82.2	Confident	39 Å²	39	33.3 Å²	33.3	18%	0.182	16%	0.164	C	C	.	.	H	α-helix	trans	-67.8	-43.8	178.7	-50.9	-179.3	133.1	0	0	111.4	P391 R986 C992 E993	P391-E989 HydrophobicContact CG-CB 3.91Å; P391-E989 HydrophobicContact CG-CG 3.61Å; R986-E989 HydrophobicContact CB-CG 4.08Å; R986-E989 IonicContact CZ-OE1 2.78Å; R986-E989 IonicContact CZ-OE2 3.26Å; R986-E989 PolarHBondContact N-OE2 3.35Å; R986-E989 IonicContact NH1-OE1 3.56Å; R986-E989 PolarHBondContact NH1-OE1 3.01Å; R986-E989 IonicContact NH1-OE2 2.71Å; R986-E989 PolarHBondContact NH1-OE2 3.29Å; R986-E989 IonicContact NH2-OE1 3.34Å; R986-E989 PolarHBondContact NH2-OE1 2.95Å; R986-E989 PolarHBondContact O-N 3.34Å; E989-C992 VanDerWaalsContact O-CB 3.25Å; E989-C992 WeakPolarHBondContact O-CB 3.4Å; E989-C992 PolarHBondContact O-N 2.75Å; E989-E993 WeakPolarHBondContact O-CG 3.33Å; E989-E993 PolarHBondContact O-N 3.15Å
990	L	85.1	Confident	80.7	Confident	0 Å²	0	34.8 Å²	34.8	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-67.8	-36.9	177.1	-67.9	173.7	0	0	0	112.5	Y659 L663 I967 P985 R986 C992 E993 L994 T1023 L1024	Y659-L990 HydrophobicContact CE2-CD1 4.31Å; L663-L990 HydrophobicContact CD1-CB 3.79Å; L663-L990 HydrophobicContact CD1-CD1 4.39Å; I967-L990 HydrophobicContact CD1-CD1 4.06Å; I967-L990 HydrophobicContact CG1-CD1 3.62Å; P985-L990 HydrophobicContact CB-CD1 4.06Å; P985-L990 HydrophobicContact CB-CD2 4.02Å; P985-L990 HydrophobicContact CB-CG 3.96Å; R986-L990 WeakPolarHBondContact O-CG 3.3Å; R986-L990 PolarHBondContact O-N 2.87Å; L990-C992 VanDerWaalsContact C-N 3.34Å; L990-E993 PolarHBondContact O-N 3.12Å; L990-L994 WeakPolarHBondContact O-CG 3.29Å; L990-L994 PolarHBondContact O-N 2.9Å; L990-T1023 WeakPolarHBondContact CD2-OG1 3.11Å; L990-L1024 HydrophobicContact CD1-CB 4.3Å; L990-L1024 HydrophobicContact CD1-CD2 4.29Å; L990-L1024 HydrophobicContact CD2-CB 3.89Å
991	R	81.6	Confident	79.4	Confident	22 Å²	22	37.5 Å²	37.5	8%	0.083	18%	0.183	C	C	.	.	H	α-helix	trans	-60.3	-47	171.5	175.4	-165	70.8	142.1	-0.4	110.7	H570 F655 L987 D988 L994 F995	H570-R991 PolarHBondContact CE1-NH1 3.48Å; H570-R991 VanDerWaalsContact CE1-NH1 3.35Å; H570-R991 PolarHBondContact NE2-NH1 2.87Å; H570-R991 PolarHBondContact NE2-NH2 2.82Å; F655-R991 HydrophobicContact CD1-CG 4.38Å; F655-R991 VanDerWaalsContact CE1-NH1 3.26Å; F655-R991 HydrophobicContact CG-CG 4.43Å; L987-R991 VanDerWaalsContact O-CB 3.3Å; L987-R991 WeakPolarHBondContact O-CB 3.34Å; L987-R991 PolarHBondContact O-N 3.43Å; D988-R991 PolarHBondContact O-N 3.42Å; R991-L994 WeakPolarHBondContact O-CB 3.39Å; R991-L994 PolarHBondContact O-N 2.87Å; R991-F995 HydrophobicContact CG-CD2 3.95Å; R991-F995 HydrophobicContact CG-CE2 3.58Å; R991-F995 VanDerWaalsContact O-CD2 3.27Å; R991-F995 WeakPolarHBondContact O-CD2 3.36Å; R991-F995 PolarHBondContact O-N 3.39Å
992	C	75.2	Confident	77.4	Confident	11 Å²	11	42.6 Å²	42.6	7%	0.074	21%	0.214	C	C	.	.	H	α-helix	trans	-56.8	-51.2	176.7	-78.3	0	0	0	0	112	M389 A390 D988 E989 L990 L994 F995 E996	M389-C992 VanDerWaalsContact O-CA 3.3Å; M389-C992 WeakPolarHBondContact O-CA 3.42Å; M389-C992 WeakPolarHBondContact O-CB 3.21Å; M389-C992 PolarHBondContact O-SG 3.15Å; A390-C992 HydrophobicContact CB-CB 3.89Å; D988-C992 WeakPolarHBondContact O-CB 3.49Å; D988-C992 PolarHBondContact O-N 2.95Å; D988-C992 PolarHBondContact O-SG 3.22Å; E989-C992 VanDerWaalsContact O-CB 3.25Å; E989-C992 WeakPolarHBondContact O-CB 3.4Å; E989-C992 PolarHBondContact O-N 2.75Å; L990-C992 VanDerWaalsContact C-N 3.34Å; C992-L994 VanDerWaalsContact C-N 3.34Å; C992-L994 PolarHBondContact O-N 2.89Å; C992-F995 WeakPolarHBondContact O-CB 3.37Å; C992-F995 PolarHBondContact O-N 3.15Å; C992-F995 VanDerWaalsContact O-N 3.12Å; C992-E996 WeakPolarHBondContact O-CG 3.33Å; C992-E996 PolarHBondContact O-N 3.04Å; C992-E996 VanDerWaalsContact O-N 3.16Å
993	E	82.1	Confident	75.5	Confident	32 Å²	32	42.7 Å²	42.7	15%	0.15	22%	0.215	C	C	.	.	H	α-helix	trans	-55.1	-47.8	174.7	-70.5	171	-148.6	0	0	111.3	E989 L990 F995 E996 L997 T1022 T1023	E989-E993 WeakPolarHBondContact O-CG 3.33Å; E989-E993 PolarHBondContact O-N 3.15Å; L990-E993 PolarHBondContact O-N 3.12Å; E993-F995 VanDerWaalsContact C-N 3.3Å; E993-F995 PolarHBondContact O-N 3.06Å; E993-E996 WeakPolarHBondContact O-CA 3.4Å; E993-E996 WeakPolarHBondContact O-CB 3.32Å; E993-E996 PolarHBondContact O-N 2.75Å; E993-L997 WeakPolarHBondContact O-CG 3.04Å; E993-L997 PolarHBondContact O-N 2.99Å; E993-T1022 HydrophobicContact CB-CG2 4.3Å; E993-T1022 WeakPolarHBondContact OE2-CA 3.37Å; E993-T1022 WeakPolarHBondContact OE2-CB 3.23Å; E993-T1023 WeakPolarHBondContact OE1-CB 3.25Å; E993-T1023 WeakPolarHBondContact OE1-CG2 3.43Å; E993-T1023 PolarHBondContact OE1-OG1 2.79Å; E993-T1023 PolarHBondContact OE2-N 3.28Å; E993-T1023 PolarHBondContact OE2-OG1 3.3Å
994	L	79	Confident	73.4	Confident	4 Å²	4	45.3 Å²	45.3	2%	0.021	22%	0.223	C	C	.	.	H	α-helix	trans	-55.1	-40.7	175.9	-75.7	179.5	0	0	0	113.4	I658 R662 L663 L990 R991 C992 E996 L997 D998 D1018 T1022	I658-L994 HydrophobicContact CG2-CD1 3.8Å; R662-L994 HydrophobicContact CB-CD1 4.27Å; L663-L994 HydrophobicContact CD1-CD1 3.7Å; L663-L994 HydrophobicContact CD1-CG 4.17Å; L663-L994 HydrophobicContact CD2-CD1 4.35Å; L663-L994 HydrophobicContact CD2-CD2 3.92Å; L663-L994 HydrophobicContact CD2-CG 4.29Å; L663-L994 HydrophobicContact CG-CD1 3.96Å; L663-L994 HydrophobicContact CG-CD2 4.4Å; L663-L994 HydrophobicContact CG-CG 4.41Å; L990-L994 WeakPolarHBondContact O-CG 3.29Å; L990-L994 PolarHBondContact O-N 2.9Å; R991-L994 WeakPolarHBondContact O-CB 3.39Å; R991-L994 PolarHBondContact O-N 2.87Å; C992-L994 VanDerWaalsContact C-N 3.34Å; C992-L994 PolarHBondContact O-N 2.89Å; L994-E996 VanDerWaalsContact C-N 3.34Å; L994-L997 HydrophobicContact CD2-CD1 4.3Å; L994-L997 PolarHBondContact O-N 3.44Å; L994-D998 PolarHBondContact O-N 3.22Å; L994-D1018 HydrophobicContact CD2-CB 3.62Å; L994-T1022 HydrophobicContact CD2-CG2 4.46Å
995	F	73.1	Confident	70.9	Confident	84 Å²	84	49.1 Å²	49.1	37%	0.368	26%	0.262	S	S	.	.	H	α-helix	trans	-63.6	-38.4	175.1	-78.9	-61.6	0	0	0	112.1	R991 C992 E993 D998 R999	R991-F995 HydrophobicContact CG-CD2 3.95Å; R991-F995 HydrophobicContact CG-CE2 3.58Å; R991-F995 VanDerWaalsContact O-CD2 3.27Å; R991-F995 WeakPolarHBondContact O-CD2 3.36Å; R991-F995 PolarHBondContact O-N 3.39Å; C992-F995 WeakPolarHBondContact O-CB 3.37Å; C992-F995 PolarHBondContact O-N 3.15Å; C992-F995 VanDerWaalsContact O-N 3.12Å; E993-F995 VanDerWaalsContact C-N 3.3Å; E993-F995 PolarHBondContact O-N 3.06Å; F995-D998 PolarHBondContact O-N 2.9Å; F995-R999 PolarHBondContact O-N 3.36Å
996	E	71.4	Confident	68.3	Low	60 Å²	60	52.6 Å²	52.6	28%	0.28	29%	0.286	S	S	.	.	H	α-helix	trans	-64.7	-43.7	174.6	-48.9	-150.9	127.6	0	0	111.9	R388 A390 C992 E993 L994 D998 R999 N1000	R388-E996 HydrophobicContact CB-CG 4.45Å; R388-E996 HydrophobicContact CG-CB 4.26Å; R388-E996 HydrophobicContact CG-CG 3.96Å; A390-E996 HydrophobicContact CB-CG 4.03Å; C992-E996 WeakPolarHBondContact O-CG 3.33Å; C992-E996 PolarHBondContact O-N 3.04Å; C992-E996 VanDerWaalsContact O-N 3.16Å; E993-E996 WeakPolarHBondContact O-CA 3.4Å; E993-E996 WeakPolarHBondContact O-CB 3.32Å; E993-E996 PolarHBondContact O-N 2.75Å; L994-E996 VanDerWaalsContact C-N 3.34Å; E996-D998 PolarHBondContact O-N 3.4Å; E996-R999 PolarHBondContact O-N 3.05Å; E996-N1000 PolarHBondContact O-N 3.44Å; E996-N1000 VanDerWaalsContact O-N 3.08Å; E996-N1000 PolarHBondContact O-ND2 2.8Å
997	L	73.5	Confident	65.6	Low	17 Å²	17	58.5 Å²	58.5	9%	0.089	32%	0.322	C	S	.	.	H	α-helix	trans	-60.3	-34.1	177.1	-60.3	-178.4	0	0	0	112.2	E993 L994 K1001 R1021 T1022	E993-L997 WeakPolarHBondContact O-CG 3.04Å; E993-L997 PolarHBondContact O-N 2.99Å; L994-L997 HydrophobicContact CD2-CD1 4.3Å; L994-L997 PolarHBondContact O-N 3.44Å; L997-K1001 WeakPolarHBondContact O-CG 3.43Å; L997-K1001 PolarHBondContact O-N 3.37Å; L997-R1021 HydrophobicContact CD1-CB 3.62Å; L997-R1021 HydrophobicContact CD2-CB 3.73Å; L997-R1021 HydrophobicContact CG-CB 4.34Å; L997-T1022 HydrophobicContact CD1-CG2 4.15Å
998	D	72.6	Confident	63.1	Low	51 Å²	51	63.3 Å²	63.3	27%	0.273	35%	0.352	S	S	.	.	H	α-helix	trans	-81.8	-36.7	179.2	-69.1	-16.8	0	0	0	113.1	R662 L994 F995 E996 N1000 K1001 T1002	R662-D998 IonicContact CZ-OD1 3.5Å; R662-D998 IonicContact CZ-OD2 2.75Å; R662-D998 VanDerWaalsContact CZ-OD2 3.28Å; R662-D998 IonicContact NH1-OD1 3.27Å; R662-D998 IonicContact NH1-OD2 3.27Å; R662-D998 PolarHBondContact NH1-OD2 2.94Å; R662-D998 VanDerWaalsContact NH2-CG 3.33Å; R662-D998 IonicContact NH2-OD1 2.83Å; R662-D998 PolarHBondContact NH2-OD1 3.02Å; R662-D998 IonicContact NH2-OD2 3.55Å; R662-D998 PolarHBondContact NH2-OD2 3.43Å; R662-D998 VanDerWaalsContact NH2-OD2 3.07Å; L994-D998 PolarHBondContact O-N 3.22Å; F995-D998 PolarHBondContact O-N 2.9Å; E996-D998 PolarHBondContact O-N 3.4Å; D998-N1000 VanDerWaalsContact C-N 3.31Å; D998-N1000 PolarHBondContact O-N 3.43Å; D998-K1001 PolarHBondContact O-N 3.47Å; D998-K1001 IonicContact OD1-NZ 3.27Å; D998-K1001 PolarHBondContact OD1-NZ 3.29Å; D998-T1002 PolarHBondContact O-N 3.42Å; D998-T1002 PolarHBondContact O-OG1 3.44Å
999	R	67	Low	61.1	Low	32 Å²	32	66.6 Å²	66.6	12%	0.121	38%	0.384	C	S	.	.	H	α-helix	trans	-58.6	-43.8	169.4	172.7	167.7	123.6	-149.8	-9.6	111.1	V386 R388 E469 F995 E996 K1001 T1002 E1003	V386-R999 HydrophobicContact CG1-CB 3.65Å; V386-R999 HydrophobicContact CG1-CG 3.52Å; R388-R999 VanDerWaalsContact CD-CZ 3.49Å; R388-R999 HydrophobicContact CG-CB 4.23Å; R388-R999 VanDerWaalsContact NE-CZ 3.32Å; R388-R999 VanDerWaalsContact NH1-NH2 3.14Å; E469-R999 IonicContact OE1-CZ 2.7Å; E469-R999 IonicContact OE1-NH1 3.41Å; E469-R999 PolarHBondContact OE1-NH1 3.28Å; E469-R999 IonicContact OE1-NH2 2.82Å; E469-R999 PolarHBondContact OE1-NH2 3.27Å; E469-R999 IonicContact OE2-NH2 3.34Å; E469-R999 PolarHBondContact OE2-NH2 2.76Å; F995-R999 PolarHBondContact O-N 3.36Å; E996-R999 PolarHBondContact O-N 3.05Å; R999-K1001 VanDerWaalsContact C-N 3.35Å; R999-K1001 PolarHBondContact O-N 2.87Å; R999-T1002 PolarHBondContact O-N 3.35Å; R999-T1002 VanDerWaalsContact O-N 3.12Å; R999-T1002 PolarHBondContact O-OG1 3.39Å; R999-E1003 VanDerWaalsContact CD-OE1 3.3Å; R999-E1003 WeakPolarHBondContact CD-OE1 3.47Å; R999-E1003 HydrophobicContact CG-CG 4.5Å; R999-E1003 WeakPolarHBondContact CG-OE1 3.35Å; R999-E1003 IonicContact NE-OE1 3.7Å; R999-E1003 PolarHBondContact NE-OE1 3.31Å; R999-E1003 PolarHBondContact O-N 3.1Å
1000	N	63.1	Low	58.7	Low	55 Å²	55	71.6 Å²	71.6	29%	0.294	41%	0.407	S	S	.	.	H	α-helix	trans	-59.7	-43.3	177	-72.6	-52.1	0	0	0	111.7	R388 E996 D998 T1002 E1003 D1004	R388-N1000 PolarHBondContact NH2-ND2 3.27Å; R388-N1000 PolarHBondContact NH2-OD1 2.91Å; E996-N1000 PolarHBondContact O-N 3.44Å; E996-N1000 VanDerWaalsContact O-N 3.08Å; E996-N1000 PolarHBondContact O-ND2 2.8Å; D998-N1000 VanDerWaalsContact C-N 3.31Å; D998-N1000 PolarHBondContact O-N 3.43Å; N1000-T1002 PolarHBondContact O-N 3.12Å; N1000-T1002 VanDerWaalsContact O-N 3.15Å; N1000-E1003 PolarHBondContact O-N 3.3Å; N1000-E1003 VanDerWaalsContact O-N 3.09Å; N1000-D1004 PolarHBondContact O-N 3.08Å
1001	K	61.9	Low	56.4	Low	102 Å²	102	77.1 Å²	77.1	44%	0.443	44%	0.443	S	S	.	.	H	α-helix	trans	-59.9	-24	176.2	-71.5	167.4	-167.2	160.9	0	113.6	L997 D998 R999 D1018	L997-K1001 WeakPolarHBondContact O-CG 3.43Å; L997-K1001 PolarHBondContact O-N 3.37Å; D998-K1001 PolarHBondContact O-N 3.47Å; D998-K1001 IonicContact OD1-NZ 3.27Å; D998-K1001 PolarHBondContact OD1-NZ 3.29Å; R999-K1001 VanDerWaalsContact C-N 3.35Å; R999-K1001 PolarHBondContact O-N 2.87Å; K1001-D1018 IonicContact NZ-OD1 3.78Å; K1001-D1018 PolarHBondContact NZ-OD1 3.18Å
1002	T	49.2	Very low	54	Low	109 Å²	109	83.9 Å²	83.9	67%	0.669	49%	0.486	S	S	*	.	H	α-helix	trans	-91.4	-13.8	177	47.7	0	0	0	0	114.7	D998 R999 N1000	D998-T1002 PolarHBondContact O-N 3.42Å; D998-T1002 PolarHBondContact O-OG1 3.44Å; R999-T1002 PolarHBondContact O-N 3.35Å; R999-T1002 VanDerWaalsContact O-N 3.12Å; R999-T1002 PolarHBondContact O-OG1 3.39Å; N1000-T1002 PolarHBondContact O-N 3.12Å; N1000-T1002 VanDerWaalsContact O-N 3.15Å
1003	E	45.2	Very low	51.9	Low	110 Å²	110	86.3 Å²	86.3	51%	0.514	51%	0.513	S	S	.	.	H	α-helix	trans	-90.7	-33.4	178.9	-71.9	169.2	-174.8	0	0	111.4	R388 R999 N1000 G1005	R388-E1003 IonicContact NH2-OE2 3.43Å; R999-E1003 VanDerWaalsContact CD-OE1 3.3Å; R999-E1003 WeakPolarHBondContact CD-OE1 3.47Å; R999-E1003 HydrophobicContact CG-CG 4.5Å; R999-E1003 WeakPolarHBondContact CG-OE1 3.35Å; R999-E1003 IonicContact NE-OE1 3.7Å; R999-E1003 PolarHBondContact NE-OE1 3.31Å; R999-E1003 PolarHBondContact O-N 3.1Å; N1000-E1003 PolarHBondContact O-N 3.3Å; N1000-E1003 VanDerWaalsContact O-N 3.09Å; E1003-G1005 VanDerWaalsContact C-N 3.28Å; E1003-G1005 PolarHBondContact O-N 3.23Å
1004	D	43.1	Very low	49.8	Very low	128 Å²	128	89.3 Å²	89.3	68%	0.684	54%	0.543	S	S	*	.			trans	-78.5	67.2	175.3	-71.5	-37.3	0	0	0	112.8	N1000 S1006	N1000-D1004 PolarHBondContact O-N 3.08Å; D1004-S1006 PolarHBondContact O-N 3.32Å
1005	G	40.3	Very low	48.4	Very low	80 Å²	80	97.9 Å²	97.9	83%	0.825	58%	0.58	S	S	*	*			trans	-69.8	29	-178.3	0	0	0	0	0	116.8	E1003	E1003-G1005 VanDerWaalsContact C-N 3.28Å; E1003-G1005 PolarHBondContact O-N 3.23Å
1006	S	36.6	Very low	47.6	Very low	77 Å²	77	97.4 Å²	97.4	54%	0.538	59%	0.586	S	S	.	*			trans	-98.8	122.6	177.8	65.2	0	0	0	0	112.3	D1004 T1008	D1004-S1006 PolarHBondContact O-N 3.32Å; S1006-T1008 PolarHBondContact O-N 3.32Å
1007	N	31.7	Very low	47.3	Very low	179 Å²	179	99 Å²	99	96%	0.957	60%	0.596	S	S	*	*			trans	-69.8	64.6	167.8	-74.4	-37.9	0	0	0	111.7
1008	T	35.8	Very low	47.6	Very low	104 Å²	104	99.7 Å²	99.7	64%	0.638	60%	0.599	S	S	*	*			trans	-82.7	116.6	159.4	42.1	0	0	0	0	107.7	S1006 E1010	S1006-T1008 PolarHBondContact O-N 3.32Å; T1008-E1010 VanDerWaalsContact C-N 3.34Å; T1008-E1010 PolarHBondContact O-N 2.85Å
1009	A	34.4	Very low	48.2	Very low	103 Å²	103	98.2 Å²	98.2	85%	0.851	59%	0.59	S	S	*	*			trans	-68	92.9	174.8	0	0	0	0	0	109.3
1010	E	31.6	Very low	49.1	Very low	143 Å²	143	102.3 Å²	102.3	67%	0.668	61%	0.609	S	S	*	*			trans	-55.8	142	166	-72.4	-164.7	145.1	0	0	109.1	T1008 V1012	T1008-E1010 VanDerWaalsContact C-N 3.34Å; T1008-E1010 PolarHBondContact O-N 2.85Å; E1010-V1012 PolarHBondContact O-N 3.27Å
1011	P	36.1	Very low	50.2	Low	117 Å²	117	105 Å²	105	76%	0.76	62%	0.615	S	S	*	*			trans	-55.1	140.9	-178.2	-24.4	33.5	0	0	0	111.4	G1013	P1011-G1013 PolarHBondContact O-N 2.99Å
1012	V	31.6	Very low	51.5	Low	164 Å²	164	100.7 Å²	100.7	99%	0.994	60%	0.597	S	S	*	*	S	Bend	trans	-68.3	81.3	174.7	-177.3	0	0	0	0	108.7	E1010	E1010-V1012 PolarHBondContact O-N 3.27Å
1013	G	30.5	Very low	53.6	Low	61 Å²	61	98.6 Å²	98.6	63%	0.629	58%	0.584	S	S	*	*	S	Bend	trans	-171.5	72.2	-165.3	0	0	0	0	0	112.7	P1011	P1011-G1013 PolarHBondContact O-N 2.99Å
1014	A	39	Very low	56	Low	96 Å²	96	93.3 Å²	93.3	79%	0.793	56%	0.559	S	S	*	*			trans	53.8	95.5	169.7	0	0	0	0	0	116.7
1015	K	49.6	Very low	58.4	Low	184 Å²	184	91.2 Å²	91.2	80%	0.8	55%	0.545	S	S	*	.	P	Polyproline II helix	trans	-46.2	127.1	163.1	-73.6	-178.2	176.1	178.8	0	109.7	L1017	K1015-L1017 PolarHBondContact O-N 3.41Å
1016	P	54.6	Low	61	Low	73 Å²	73	90.6 Å²	90.6	47%	0.474	53%	0.527	S	S	.	.	P	Polyproline II helix	trans	-61.2	128.9	177.6	23.6	-31.9	0	0	0	109.8	D1018 K1020	P1016-D1018 PolarHBondContact O-N 3.27Å; P1016-K1020 HydrophobicContact CB-CD 4.01Å
1017	L	66.9	Low	63.9	Low	95 Å²	95	88.8 Å²	88.8	50%	0.497	51%	0.509	S	S	.	.	P	Polyproline II helix	trans	-53	133.1	175.6	-65.1	168.7	0	0	0	109.5	K1015 Y1019 K1020	K1015-L1017 PolarHBondContact O-N 3.41Å; L1017-Y1019 HydrophobicContact CB-CD1 3.64Å; L1017-Y1019 HydrophobicContact CB-CE1 3.45Å; L1017-Y1019 VanDerWaalsContact CB-CE1 3.45Å; L1017-Y1019 HydrophobicContact CD1-CD1 4.44Å; L1017-Y1019 HydrophobicContact CD1-CE1 3.54Å; L1017-Y1019 HydrophobicContact CG-CE1 4.11Å; L1017-Y1019 PolarHBondContact O-N 2.76Å; L1017-K1020 WeakPolarHBondContact O-CB 3.41Å; L1017-K1020 PolarHBondContact O-N 2.83Å
1018	D	79.5	Confident	67	Low	30 Å²	30	80.3 Å²	80.3	16%	0.16	46%	0.463	C	S	.	.	G	3₁₀ helix	trans	-57.4	-30.6	-165.6	-75.2	-56.2	0	0	0	112.2	R662 L994 K1001 P1016 K1020 R1021	R662-D1018 IonicContact CZ-OD2 3.9Å; R662-D1018 VanDerWaalsContact CZ-OD2 3.24Å; R662-D1018 IonicContact NE-OD2 2.95Å; R662-D1018 PolarHBondContact NE-OD2 3.29Å; R662-D1018 VanDerWaalsContact NH2-CG 3.29Å; R662-D1018 IonicContact NH2-OD1 2.99Å; R662-D1018 PolarHBondContact NH2-OD1 2.67Å; R662-D1018 IonicContact NH2-OD2 2.81Å; R662-D1018 PolarHBondContact NH2-OD2 3.2Å; L994-D1018 HydrophobicContact CD2-CB 3.62Å; K1001-D1018 IonicContact NZ-OD1 3.78Å; K1001-D1018 PolarHBondContact NZ-OD1 3.18Å; P1016-D1018 PolarHBondContact O-N 3.27Å; D1018-K1020 PolarHBondContact O-N 3.16Å; D1018-R1021 PolarHBondContact O-N 3.42Å
1019	Y	83.9	Confident	69.9	Low	20 Å²	20	77.2 Å²	77.2	8%	0.078	45%	0.448	C	S	.	.	G	3₁₀ helix	trans	-53.3	-29.1	176.4	73.8	-107.5	0	0	0	113.8	L1017 R1021 T1022 I1028	L1017-Y1019 HydrophobicContact CB-CD1 3.64Å; L1017-Y1019 HydrophobicContact CB-CE1 3.45Å; L1017-Y1019 VanDerWaalsContact CB-CE1 3.45Å; L1017-Y1019 HydrophobicContact CD1-CD1 4.44Å; L1017-Y1019 HydrophobicContact CD1-CE1 3.54Å; L1017-Y1019 HydrophobicContact CG-CE1 4.11Å; L1017-Y1019 PolarHBondContact O-N 2.76Å; Y1019-R1021 PolarHBondContact O-N 3.43Å; Y1019-R1021 VanDerWaalsContact O-N 3.07Å; Y1019-T1022 WeakPolarHBondContact CA-OG1 3.24Å; Y1019-T1022 PolarHBondContact O-N 3.35Å; Y1019-T1022 PolarHBondContact O-OG1 3.29Å; Y1019-I1028 HydrophobicContact CD1-CD1 4.05Å; Y1019-I1028 HydrophobicContact CD2-CB 4.33Å; Y1019-I1028 HydrophobicContact CD2-CD1 3.31Å; Y1019-I1028 HydrophobicContact CD2-CG1 4.38Å; Y1019-I1028 HydrophobicContact CD2-CG2 4.3Å; Y1019-I1028 HydrophobicContact CE1-CD1 4.37Å; Y1019-I1028 HydrophobicContact CE2-CB 4.08Å; Y1019-I1028 HydrophobicContact CE2-CD1 3.72Å; Y1019-I1028 HydrophobicContact CE2-CG1 4.49Å; Y1019-I1028 HydrophobicContact CE2-CG2 3.6Å; Y1019-I1028 HydrophobicContact CG-CD1 3.51Å
1020	K	85.6	Confident	72.8	Confident	118 Å²	118	73.3 Å²	73.3	51%	0.513	41%	0.413	S	S	.	.	G	3₁₀ helix	trans	-62.7	-15.6	179.7	-69	-173.4	174.6	-172.7	0	113.3	P1016 L1017 D1018	P1016-K1020 HydrophobicContact CB-CD 4.01Å; L1017-K1020 WeakPolarHBondContact O-CB 3.41Å; L1017-K1020 PolarHBondContact O-N 2.83Å; D1018-K1020 PolarHBondContact O-N 3.16Å
1021	R	86.5	Confident	76	Confident	113 Å²	113	66.5 Å²	66.5	43%	0.426	38%	0.382	S	S	.	.	G	3₁₀ helix	trans	-111.6	17.4	179.2	-59.8	170.4	70.2	-153.1	2.3	111.8	L997 D1018 Y1019	L997-R1021 HydrophobicContact CD1-CB 3.62Å; L997-R1021 HydrophobicContact CD2-CB 3.73Å; L997-R1021 HydrophobicContact CG-CB 4.34Å; D1018-R1021 PolarHBondContact O-N 3.42Å; Y1019-R1021 PolarHBondContact O-N 3.43Å; Y1019-R1021 VanDerWaalsContact O-N 3.07Å
1022	T	90.3	Very high	78.8	Confident	10 Å²	10	63.5 Å²	63.5	6%	0.061	36%	0.359	C	S	.	.	S	Bend	trans	-121.9	164.5	-179.7	67.3	0	0	0	0	112.1	L663 E993 L994 L997 Y1019 L1024 Q1025	L663-T1022 HydrophobicContact CD2-CG2 3.93Å; E993-T1022 HydrophobicContact CB-CG2 4.3Å; E993-T1022 WeakPolarHBondContact OE2-CA 3.37Å; E993-T1022 WeakPolarHBondContact OE2-CB 3.23Å; L994-T1022 HydrophobicContact CD2-CG2 4.46Å; L997-T1022 HydrophobicContact CD1-CG2 4.15Å; Y1019-T1022 WeakPolarHBondContact CA-OG1 3.24Å; Y1019-T1022 PolarHBondContact O-N 3.35Å; Y1019-T1022 PolarHBondContact O-OG1 3.29Å; T1022-L1024 PolarHBondContact O-N 3.4Å; T1022-L1024 WeakPolarHBondContact OG1-CB 3.29Å; T1022-L1024 PolarHBondContact OG1-N 3.32Å; T1022-Q1025 VanDerWaalsContact O-CB 3.31Å; T1022-Q1025 WeakPolarHBondContact O-CB 3.11Å; T1022-Q1025 PolarHBondContact O-N 3.21Å
1023	T	93.1	Very high	81.8	Confident	65 Å²	65	62.3 Å²	62.3	40%	0.399	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-10.6	172.5	52.6	0	0	0	0	114.1	L990 E993 P1026	L990-T1023 WeakPolarHBondContact CD2-OG1 3.11Å; E993-T1023 WeakPolarHBondContact OE1-CB 3.25Å; E993-T1023 WeakPolarHBondContact OE1-CG2 3.43Å; E993-T1023 PolarHBondContact OE1-OG1 2.79Å; E993-T1023 PolarHBondContact OE2-N 3.28Å; E993-T1023 PolarHBondContact OE2-OG1 3.3Å; T1023-P1026 WeakPolarHBondContact O-CD 3.41Å
1024	L	94.8	Very high	84.9	Confident	0 Å²	0	60.4 Å²	60.4	0%	0	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76	-20.1	171.4	-168.8	60.2	0	0	0	113.5	Y659 L663 F958 I967 V969 L990 T1022 Y1027 I1028	Y659-L1024 HydrophobicContact CE2-CD2 4.17Å; L663-L1024 HydrophobicContact CB-CD2 4.4Å; F958-L1024 HydrophobicContact CD1-CD1 4.19Å; F958-L1024 HydrophobicContact CE1-CD1 4.29Å; I967-L1024 HydrophobicContact CB-CD1 4.27Å; I967-L1024 HydrophobicContact CG1-CD1 4.36Å; I967-L1024 HydrophobicContact CG2-CD1 3.89Å; V969-L1024 HydrophobicContact CG1-CD1 3.96Å; L990-L1024 HydrophobicContact CD1-CB 4.3Å; L990-L1024 HydrophobicContact CD1-CD2 4.29Å; L990-L1024 HydrophobicContact CD2-CB 3.89Å; T1022-L1024 PolarHBondContact O-N 3.4Å; T1022-L1024 WeakPolarHBondContact OG1-CB 3.29Å; T1022-L1024 PolarHBondContact OG1-N 3.32Å; L1024-Y1027 PolarHBondContact O-N 2.8Å; L1024-I1028 HydrophobicContact CD2-CD1 3.9Å; L1024-I1028 HydrophobicContact CG-CD1 3.78Å; L1024-I1028 HydrophobicContact CG-CG1 4.2Å; L1024-I1028 PolarHBondContact O-N 2.68Å
1025	Q	94.9	Very high	87.6	Confident	83 Å²	83	55.9 Å²	55.9	39%	0.388	27%	0.274	S	S	.	.	H	α-helix	trans	-54.9	-43.9	-174.9	-178	-83.7	-17.8	0	0	114.8	T1022 Y1027 I1028 A1029	T1022-Q1025 VanDerWaalsContact O-CB 3.31Å; T1022-Q1025 WeakPolarHBondContact O-CB 3.11Å; T1022-Q1025 PolarHBondContact O-N 3.21Å; Q1025-Y1027 VanDerWaalsContact C-N 3.31Å; Q1025-Y1027 PolarHBondContact O-N 3.44Å; Q1025-I1028 PolarHBondContact O-N 2.83Å; Q1025-A1029 PolarHBondContact O-N 2.88Å
1026	P	95	Very high	89.6	Confident	68 Å²	68	49.9 Å²	49.9	44%	0.442	26%	0.255	S	S	.	.	H	α-helix	trans	-63.3	-38.3	-177.7	-24.4	36	0	0	0	112.3	T1023 A1029 V1030	T1023-P1026 WeakPolarHBondContact O-CD 3.41Å; P1026-A1029 WeakPolarHBondContact O-CB 3.25Å; P1026-A1029 PolarHBondContact O-N 2.97Å; P1026-V1030 WeakPolarHBondContact O-CG2 3.36Å; P1026-V1030 PolarHBondContact O-N 3.49Å; P1026-V1030 VanDerWaalsContact O-N 3.07Å
1027	Y	97.1	Very high	91.3	Very high	39 Å²	39	49.6 Å²	49.6	15%	0.153	26%	0.255	C	S	.	.	H	α-helix	trans	-70	-36.4	179.7	-57.2	-77	0	0	0	112.4	V969 F979 S983 P985 L1024 Q1025 A1029 V1030 F1031	V969-Y1027 HydrophobicContact CB-CD1 3.5Å; V969-Y1027 VanDerWaalsContact CB-CD1 3.5Å; V969-Y1027 HydrophobicContact CB-CD2 4.47Å; V969-Y1027 HydrophobicContact CB-CE1 4.11Å; V969-Y1027 HydrophobicContact CB-CG 3.69Å; V969-Y1027 HydrophobicContact CG1-CD1 3.93Å; V969-Y1027 HydrophobicContact CG1-CD2 3.98Å; V969-Y1027 HydrophobicContact CG1-CE1 4.48Å; V969-Y1027 HydrophobicContact CG1-CG 3.62Å; V969-Y1027 HydrophobicContact CG2-CD1 3.62Å; V969-Y1027 HydrophobicContact CG2-CE1 3.71Å; V969-Y1027 HydrophobicContact CG2-CG 4.22Å; F979-Y1027 HydrophobicContact CE2-CE1 4.16Å; S983-Y1027 PolarHBondContact O-OH 3.14Å; P985-Y1027 HydrophobicContact CG-CD2 4.32Å; P985-Y1027 HydrophobicContact CG-CE2 3.79Å; L1024-Y1027 PolarHBondContact O-N 2.8Å; Q1025-Y1027 VanDerWaalsContact C-N 3.31Å; Q1025-Y1027 PolarHBondContact O-N 3.44Å; Y1027-A1029 VanDerWaalsContact C-N 3.34Å; Y1027-V1030 PolarHBondContact O-N 3.49Å; Y1027-F1031 PolarHBondContact O-N 3.14Å
1028	I	96.2	Very high	92.3	Very high	1 Å²	1	45.3 Å²	45.3	1%	0.005	23%	0.233	C	C	.	.	H	α-helix	trans	-68.7	-34.7	171.8	-66.1	168.7	0	0	0	110.6	P665 F958 Y1019 L1024 Q1025 V1030 F1031 D1032	P665-I1028 HydrophobicContact CB-CD1 4.09Å; P665-I1028 HydrophobicContact CB-CG1 4.34Å; P665-I1028 HydrophobicContact CB-CG2 4.42Å; P665-I1028 HydrophobicContact CG-CD1 4.25Å; P665-I1028 HydrophobicContact CG-CG1 4.27Å; F958-I1028 HydrophobicContact CD1-CG1 4.29Å; F958-I1028 HydrophobicContact CE1-CD1 4.47Å; F958-I1028 HydrophobicContact CE1-CG1 3.53Å; F958-I1028 HydrophobicContact CZ-CG1 3.82Å; Y1019-I1028 HydrophobicContact CD1-CD1 4.05Å; Y1019-I1028 HydrophobicContact CD2-CB 4.33Å; Y1019-I1028 HydrophobicContact CD2-CD1 3.31Å; Y1019-I1028 HydrophobicContact CD2-CG1 4.38Å; Y1019-I1028 HydrophobicContact CD2-CG2 4.3Å; Y1019-I1028 HydrophobicContact CE1-CD1 4.37Å; Y1019-I1028 HydrophobicContact CE2-CB 4.08Å; Y1019-I1028 HydrophobicContact CE2-CD1 3.72Å; Y1019-I1028 HydrophobicContact CE2-CG1 4.49Å; Y1019-I1028 HydrophobicContact CE2-CG2 3.6Å; Y1019-I1028 HydrophobicContact CG-CD1 3.51Å; L1024-I1028 HydrophobicContact CD2-CD1 3.9Å; L1024-I1028 HydrophobicContact CG-CD1 3.78Å; L1024-I1028 HydrophobicContact CG-CG1 4.2Å; L1024-I1028 PolarHBondContact O-N 2.68Å; Q1025-I1028 PolarHBondContact O-N 2.83Å; I1028-V1030 VanDerWaalsContact C-N 3.34Å; I1028-V1030 PolarHBondContact O-N 3.32Å; I1028-F1031 WeakPolarHBondContact O-CB 3.11Å; I1028-F1031 PolarHBondContact O-N 2.73Å; I1028-D1032 PolarHBondContact O-N 2.89Å
1029	A	95.8	Very high	91.7	Very high	38 Å²	38	47.3 Å²	47.3	31%	0.314	25%	0.249	S	C	.	.	H	α-helix	trans	-65.6	-34	174.7	0	0	0	0	0	113.1	Q1025 P1026 Y1027 R1033	Q1025-A1029 PolarHBondContact O-N 2.88Å; P1026-A1029 WeakPolarHBondContact O-CB 3.25Å; P1026-A1029 PolarHBondContact O-N 2.97Å; Y1027-A1029 VanDerWaalsContact C-N 3.34Å; A1029-R1033 WeakPolarHBondContact O-CB 3.45Å; A1029-R1033 PolarHBondContact O-N 3.42Å
1030	V	96.7	Very high	90.3	Very high	21 Å²	21	50.8 Å²	50.8	13%	0.127	28%	0.276	C	S	.	.	H	α-helix	trans	-63.5	-44.7	170.2	175.4	0	0	0	0	110.5	P970 D972 P1026 Y1027 I1028 R1033 F1034	P970-V1030 HydrophobicContact CB-CB 4.39Å; P970-V1030 HydrophobicContact CB-CG1 3.94Å; D972-V1030 HydrophobicContact CB-CG1 4.3Å; D972-V1030 HydrophobicContact CB-CG2 3.84Å; P1026-V1030 WeakPolarHBondContact O-CG2 3.36Å; P1026-V1030 PolarHBondContact O-N 3.49Å; P1026-V1030 VanDerWaalsContact O-N 3.07Å; Y1027-V1030 PolarHBondContact O-N 3.49Å; I1028-V1030 VanDerWaalsContact C-N 3.34Å; I1028-V1030 PolarHBondContact O-N 3.32Å; V1030-R1033 WeakPolarHBondContact O-CB 3.35Å; V1030-R1033 PolarHBondContact O-N 3.45Å; V1030-F1034 PolarHBondContact O-N 3.32Å
1031	F	97.4	Very high	89	Confident	0 Å²	0	47.8 Å²	47.8	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-62.9	-46.9	177.2	-165.6	-134.8	0	0	0	112.8	V669 W672 L795 P957 F958 P970 Y1027 I1028 R1033 F1034 I1035	V669-F1031 HydrophobicContact CG2-CE1 4.04Å; V669-F1031 HydrophobicContact CG2-CZ 4.46Å; W672-F1031 HydrophobicContact CB-CE2 4.46Å; W672-F1031 HydrophobicContact CB-CZ 3.96Å; W672-F1031 HydrophobicContact CD2-CE2 4.09Å; W672-F1031 AromaticContact CD2-CZ 4Å; W672-F1031 HydrophobicContact CD2-CZ 4Å; W672-F1031 HydrophobicContact CE3-CE2 4.06Å; W672-F1031 AromaticContact CE3-CZ 3.69Å; W672-F1031 HydrophobicContact CE3-CZ 3.69Å; W672-F1031 HydrophobicContact CG-CE2 4.32Å; W672-F1031 HydrophobicContact CG-CZ 4.18Å; W672-F1031 HydrophobicContact CZ3-CZ 4.5Å; L795-F1031 HydrophobicContact CD1-CD2 4.26Å; L795-F1031 HydrophobicContact CD2-CD2 4.05Å; L795-F1031 HydrophobicContact CD2-CE2 3.68Å; P957-F1031 HydrophobicContact CG-CE2 4.4Å; F958-F1031 HydrophobicContact CD2-CD1 4.47Å; F958-F1031 HydrophobicContact CD2-CE1 4.46Å; F958-F1031 HydrophobicContact CE2-CB 4.12Å; F958-F1031 AromaticContact CE2-CD1 3.47Å; F958-F1031 HydrophobicContact CE2-CD1 3.47Å; F958-F1031 VanDerWaalsContact CE2-CD1 3.47Å; F958-F1031 HydrophobicContact CE2-CD2 4.34Å; F958-F1031 AromaticContact CE2-CE1 3.81Å; F958-F1031 HydrophobicContact CE2-CE1 3.81Å; F958-F1031 AromaticContact CE2-CG 3.75Å; F958-F1031 HydrophobicContact CE2-CG 3.75Å; F958-F1031 HydrophobicContact CE2-CZ 4.41Å; F958-F1031 HydrophobicContact CZ-CB 3.94Å; F958-F1031 HydrophobicContact CZ-CD1 4.08Å; F958-F1031 HydrophobicContact CZ-CG 4.11Å; P970-F1031 HydrophobicContact CG-CB 4Å; P970-F1031 HydrophobicContact CG-CD2 4.32Å; P970-F1031 HydrophobicContact CG-CG 4.43Å; Y1027-F1031 PolarHBondContact O-N 3.14Å; I1028-F1031 WeakPolarHBondContact O-CB 3.11Å; I1028-F1031 PolarHBondContact O-N 2.73Å; F1031-R1033 VanDerWaalsContact C-N 3.27Å; F1031-R1033 PolarHBondContact O-N 3.09Å; F1031-F1034 WeakPolarHBondContact O-CB 3.07Å; F1031-F1034 PolarHBondContact O-N 3.15Å; F1031-I1035 HydrophobicContact CD1-CD1 3.59Å; F1031-I1035 HydrophobicContact CD2-CD1 4.17Å; F1031-I1035 HydrophobicContact CD2-CG1 4.46Å; F1031-I1035 HydrophobicContact CE1-CD1 3.56Å; F1031-I1035 HydrophobicContact CE2-CD1 4.1Å; F1031-I1035 HydrophobicContact CE2-CG1 4.37Å; F1031-I1035 HydrophobicContact CG-CD1 3.92Å; F1031-I1035 HydrophobicContact CZ-CD1 3.81Å; F1031-I1035 HydrophobicContact CZ-CG1 4.46Å; F1031-I1035 VanDerWaalsContact O-CG1 3.3Å; F1031-I1035 WeakPolarHBondContact O-CG1 3.41Å; F1031-I1035 PolarHBondContact O-N 2.87Å
1032	D	95.3	Very high	87.5	Confident	55 Å²	55	44 Å²	44	29%	0.294	25%	0.253	S	S	.	.	H	α-helix	trans	-64.3	-32.6	179	-74.5	-22.1	0	0	0	111.5	S668 I1028 S1036	S668-D1032 VanDerWaalsContact CB-OD1 3.29Å; S668-D1032 WeakPolarHBondContact CB-OD1 3.26Å; S668-D1032 PolarHBondContact OG-OD1 2.82Å; I1028-D1032 PolarHBondContact O-N 2.89Å; D1032-S1036 WeakPolarHBondContact O-CB 3.49Å; D1032-S1036 PolarHBondContact O-N 3.28Å; D1032-S1036 PolarHBondContact O-OG 3.38Å
1033	R	95.1	Very high	85.2	Confident	139 Å²	139	46.3 Å²	46.3	53%	0.525	27%	0.268	S	S	.	.	H	α-helix	trans	-64.5	-48.2	171.7	-166.7	-166.8	-55.8	153.2	7.3	111	D972 A1029 V1030 F1031 S1036 S1037	D972-R1033 IonicContact OD1-NH1 2.77Å; D972-R1033 IonicContact OD2-CZ 2.7Å; D972-R1033 IonicContact OD2-NH1 3.51Å; D972-R1033 PolarHBondContact OD2-NH1 3.27Å; D972-R1033 IonicContact OD2-NH2 3.52Å; D972-R1033 PolarHBondContact OD2-NH2 2.64Å; A1029-R1033 WeakPolarHBondContact O-CB 3.45Å; A1029-R1033 PolarHBondContact O-N 3.42Å; V1030-R1033 WeakPolarHBondContact O-CB 3.35Å; V1030-R1033 PolarHBondContact O-N 3.45Å; F1031-R1033 VanDerWaalsContact C-N 3.27Å; F1031-R1033 PolarHBondContact O-N 3.09Å; R1033-S1036 WeakPolarHBondContact O-CB 3.37Å; R1033-S1036 PolarHBondContact O-N 3.09Å; R1033-S1036 VanDerWaalsContact O-N 3.1Å; R1033-S1037 PolarHBondContact O-N 3.37Å
1034	F	95.8	Very high	82.9	Confident	20 Å²	20	45.9 Å²	45.9	9%	0.088	27%	0.268	C	S	.	.	H	α-helix	trans	-60.3	-44.3	175.7	171.8	-100.9	0	0	0	112.7	H793 L795 C809 V1030 F1031 S1036 S1037 M1038	H793-F1034 HydrophobicContact CB-CE2 4.24Å; H793-F1034 HydrophobicContact CB-CZ 4.38Å; L795-F1034 HydrophobicContact CB-CD1 4.07Å; L795-F1034 HydrophobicContact CB-CD2 4.22Å; L795-F1034 HydrophobicContact CB-CE1 3.67Å; L795-F1034 HydrophobicContact CB-CE2 3.85Å; L795-F1034 HydrophobicContact CB-CG 4.33Å; L795-F1034 HydrophobicContact CB-CZ 3.57Å; L795-F1034 HydrophobicContact CD1-CB 4.49Å; L795-F1034 HydrophobicContact CD1-CD1 4Å; L795-F1034 HydrophobicContact CD1-CE1 4.44Å; L795-F1034 HydrophobicContact CD1-CG 4.09Å; L795-F1034 HydrophobicContact CD2-CD1 3.99Å; L795-F1034 HydrophobicContact CD2-CE1 3.82Å; L795-F1034 HydrophobicContact CG-CD1 4.25Å; L795-F1034 HydrophobicContact CG-CE1 4.19Å; C809-F1034 HydrophobicContact CB-CZ 3.93Å; V1030-F1034 PolarHBondContact O-N 3.32Å; F1031-F1034 WeakPolarHBondContact O-CB 3.07Å; F1031-F1034 PolarHBondContact O-N 3.15Å; F1034-S1036 PolarHBondContact O-N 3.28Å; F1034-S1037 PolarHBondContact O-N 2.94Å; F1034-S1037 PolarHBondContact O-OG 3.45Å; F1034-M1038 HydrophobicContact CD1-CE 3.68Å; F1034-M1038 HydrophobicContact CE1-CE 3.23Å; F1034-M1038 HydrophobicContact CE1-SD 3.83Å; F1034-M1038 HydrophobicContact CZ-CE 3.77Å; F1034-M1038 HydrophobicContact CZ-CG 4.44Å; F1034-M1038 HydrophobicContact CZ-SD 3.73Å; F1034-M1038 PolarHBondContact O-N 2.86Å
1035	I	94.6	Very high	80.5	Confident	2 Å²	2	50 Å²	50	1%	0.01	30%	0.302	C	S	.	.	H	α-helix	trans	-65.2	-26.7	176.1	-61.4	159.4	0	0	0	111.7	S668 K671 W672 F1031 M1038	S668-I1035 VanDerWaalsContact O-CD1 3.22Å; S668-I1035 WeakPolarHBondContact O-CD1 3.34Å; K671-I1035 HydrophobicContact CB-CG2 4.09Å; K671-I1035 HydrophobicContact CD-CG2 3.49Å; K671-I1035 VanDerWaalsContact CD-CG2 3.49Å; K671-I1035 HydrophobicContact CG-CG2 3.59Å; W672-I1035 HydrophobicContact CB-CD1 4.14Å; W672-I1035 HydrophobicContact CB-CG1 4.01Å; F1031-I1035 HydrophobicContact CD1-CD1 3.59Å; F1031-I1035 HydrophobicContact CD2-CD1 4.17Å; F1031-I1035 HydrophobicContact CD2-CG1 4.46Å; F1031-I1035 HydrophobicContact CE1-CD1 3.56Å; F1031-I1035 HydrophobicContact CE2-CD1 4.1Å; F1031-I1035 HydrophobicContact CE2-CG1 4.37Å; F1031-I1035 HydrophobicContact CG-CD1 3.92Å; F1031-I1035 HydrophobicContact CZ-CD1 3.81Å; F1031-I1035 HydrophobicContact CZ-CG1 4.46Å; F1031-I1035 VanDerWaalsContact O-CG1 3.3Å; F1031-I1035 WeakPolarHBondContact O-CG1 3.41Å; F1031-I1035 PolarHBondContact O-N 2.87Å; I1035-M1038 HydrophobicContact CB-CE 4.38Å; I1035-M1038 HydrophobicContact CG1-CE 4.24Å
1036	S	91.9	Very high	78.1	Confident	58 Å²	58	52.3 Å²	52.3	41%	0.406	32%	0.317	S	S	.	.	H	α-helix	trans	-81.3	-28.8	177.1	-56.5	0	0	0	0	112.9	D1032 R1033 F1034 M1038 S1039	D1032-S1036 WeakPolarHBondContact O-CB 3.49Å; D1032-S1036 PolarHBondContact O-N 3.28Å; D1032-S1036 PolarHBondContact O-OG 3.38Å; R1033-S1036 WeakPolarHBondContact O-CB 3.37Å; R1033-S1036 PolarHBondContact O-N 3.09Å; R1033-S1036 VanDerWaalsContact O-N 3.1Å; F1034-S1036 PolarHBondContact O-N 3.28Å; S1036-M1038 VanDerWaalsContact C-N 3.33Å; S1036-S1039 VanDerWaalsContact O-CB 3.23Å; S1036-S1039 WeakPolarHBondContact O-CB 3.45Å; S1036-S1039 PolarHBondContact O-N 3.04Å; S1036-S1039 PolarHBondContact O-OG 2.84Å
1037	S	90.7	Very high	75.8	Confident	67 Å²	67	54.4 Å²	54.4	47%	0.469	32%	0.321	S	S	.	.	H	α-helix	trans	-71.1	-27.1	173.7	59	0	0	0	0	113	R1033 F1034 S1039	R1033-S1037 PolarHBondContact O-N 3.37Å; F1034-S1037 PolarHBondContact O-N 2.94Å; F1034-S1037 PolarHBondContact O-OG 3.45Å; S1037-S1039 PolarHBondContact O-N 3.27Å; S1037-S1039 VanDerWaalsContact O-N 3.15Å
1038	M	88	Confident	73.4	Confident	5 Å²	5	54.5 Å²	54.5	3%	0.025	33%	0.329	C	S	.	.	G	3₁₀ helix	trans	-70.6	2.4	170.3	-67.3	-174.9	-70.9	0	0	114.4	Y675 H793 C809 F1034 I1035 S1036 S1040 I1041 L1042	Y675-M1038 HydrophobicContact CE1-SD 3.89Å; H793-M1038 HydrophobicContact CB-CG 3.96Å; H793-M1038 HydrophobicContact CB-SD 4.25Å; C809-M1038 HydrophobicContact CB-SD 3.71Å; F1034-M1038 HydrophobicContact CD1-CE 3.68Å; F1034-M1038 HydrophobicContact CE1-CE 3.23Å; F1034-M1038 HydrophobicContact CE1-SD 3.83Å; F1034-M1038 HydrophobicContact CZ-CE 3.77Å; F1034-M1038 HydrophobicContact CZ-CG 4.44Å; F1034-M1038 HydrophobicContact CZ-SD 3.73Å; F1034-M1038 PolarHBondContact O-N 2.86Å; I1035-M1038 HydrophobicContact CB-CE 4.38Å; I1035-M1038 HydrophobicContact CG1-CE 4.24Å; S1036-M1038 VanDerWaalsContact C-N 3.33Å; M1038-S1040 PolarHBondContact O-N 3.47Å; M1038-I1041 PolarHBondContact O-N 2.84Å; M1038-L1042 PolarHBondContact O-N 2.92Å
1039	S	66.2	Low	71.1	Confident	71 Å²	71	60.2 Å²	60.2	50%	0.497	36%	0.356	S	S	.	.	G	3₁₀ helix	trans	-71.7	-6.2	-175.4	63.6	0	0	0	0	115.6	S1036 S1037 I1041	S1036-S1039 VanDerWaalsContact O-CB 3.23Å; S1036-S1039 WeakPolarHBondContact O-CB 3.45Å; S1036-S1039 PolarHBondContact O-N 3.04Å; S1036-S1039 PolarHBondContact O-OG 2.84Å; S1037-S1039 PolarHBondContact O-N 3.27Å; S1037-S1039 VanDerWaalsContact O-N 3.15Å; S1039-I1041 VanDerWaalsContact C-N 3.29Å
1040	S	56	Low	68.8	Low	94 Å²	94	62 Å²	62	66%	0.657	37%	0.366	S	S	*	.	G	3₁₀ helix	trans	-68.3	-27.7	163.9	49	0	0	0	0	112.9	M1038	M1038-S1040 PolarHBondContact O-N 3.47Å
1041	I	58.6	Low	66.5	Low	54 Å²	54	65.7 Å²	65.7	28%	0.277	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.9	-25.2	178	-55.8	-177.5	0	0	0	111.1	H793 M1038 S1039	H793-I1041 VanDerWaalsContact CD2-CD1 3.42Å; H793-I1041 WeakPolarHBondContact CD2-CD1 3.15Å; H793-I1041 WeakPolarHBondContact NE2-CD1 3.47Å; M1038-I1041 PolarHBondContact O-N 2.84Å; S1039-I1041 VanDerWaalsContact C-N 3.29Å
1042	L	53.9	Low	64.4	Low	33 Å²	33	71.8 Å²	71.8	17%	0.173	41%	0.413	C	S	.	.	S	Bend	trans	-72.7	126.7	174.6	-59.5	177.6	0	0	0	109.5	G676 M1038 S1044	G676-L1042 VanDerWaalsContact N-CD2 3.3Å; M1038-L1042 PolarHBondContact O-N 2.92Å; L1042-S1044 PolarHBondContact O-N 3.45Å
1043	P	43.3	Very low	62.4	Low	59 Å²	59	75.9 Å²	75.9	38%	0.383	43%	0.428	S	S	.	.	P	Polyproline II helix	trans	-54.8	133	172.3	-21.9	31.1	0	0	0	109.8	Q1047 A1048	P1043-Q1047 HydrophobicContact CB-CB 4.35Å; P1043-A1048 HydrophobicContact CB-CB 4.48Å
1044	S	44	Very low	60.1	Low	57 Å²	57	74.2 Å²	74.2	40%	0.399	43%	0.429	S	S	.	.	P	Polyproline II helix	trans	-55.3	146.8	171.4	65	0	0	0	0	109.3	L1042 N1046 Q1047 A1048	L1042-S1044 PolarHBondContact O-N 3.45Å; S1044-N1046 PolarHBondContact O-N 3.27Å; S1044-Q1047 PolarHBondContact O-N 2.89Å; S1044-Q1047 WeakPolarHBondContact OG-CG 3.49Å; S1044-Q1047 PolarHBondContact OG-N 3.23Å; S1044-Q1047 PolarHBondContact OG-OE1 3.02Å; S1044-A1048 PolarHBondContact O-N 3.39Å; S1044-A1048 VanDerWaalsContact O-N 3.14Å
1045	A	45.1	Very low	58	Low	85 Å²	85	79.3 Å²	79.3	70%	0.702	45%	0.453	S	S	*	.	H	α-helix	trans	-54.6	-26.9	-175.9	0	0	0	0	0	113.1	H1049	A1045-H1049 PolarHBondContact O-N 2.88Å
1046	N	42.6	Very low	56.4	Low	133 Å²	133	82.3 Å²	82.3	71%	0.711	48%	0.478	S	S	*	.	H	α-helix	trans	-75.4	-34.1	175.8	-63.9	-12.5	0	0	0	113.1	S1044 S1050	S1044-N1046 PolarHBondContact O-N 3.27Å; N1046-S1050 PolarHBondContact O-N 2.94Å; N1046-S1050 PolarHBondContact O-OG 3.24Å
1047	Q	46.9	Very low	54.8	Low	111 Å²	111	86 Å²	86	52%	0.519	49%	0.494	S	S	.	.	H	α-helix	trans	-72.8	-42.2	175.6	-78.7	165.3	-36.7	0	0	112	P1043 S1044 H1049 S1050 L1051	P1043-Q1047 HydrophobicContact CB-CB 4.35Å; S1044-Q1047 PolarHBondContact O-N 2.89Å; S1044-Q1047 WeakPolarHBondContact OG-CG 3.49Å; S1044-Q1047 PolarHBondContact OG-N 3.23Å; S1044-Q1047 PolarHBondContact OG-OE1 3.02Å; Q1047-H1049 VanDerWaalsContact C-N 3.28Å; Q1047-H1049 PolarHBondContact O-N 2.81Å; Q1047-S1050 WeakPolarHBondContact O-CB 3.39Å; Q1047-S1050 PolarHBondContact O-N 3.16Å; Q1047-L1051 PolarHBondContact O-N 3.36Å
1048	A	47.1	Very low	53.4	Low	41 Å²	41	89.3 Å²	89.3	34%	0.339	50%	0.504	S	S	.	.	H	α-helix	trans	-57.4	-42.3	176.5	0	0	0	0	0	112	P1043 S1044 S1050 L1051 Q1052	P1043-A1048 HydrophobicContact CB-CB 4.48Å; S1044-A1048 PolarHBondContact O-N 3.39Å; S1044-A1048 VanDerWaalsContact O-N 3.14Å; A1048-S1050 PolarHBondContact O-N 3.44Å; A1048-L1051 PolarHBondContact O-N 2.88Å; A1048-Q1052 PolarHBondContact O-N 2.88Å
1049	H	48.5	Very low	51.4	Low	122 Å²	122	97.1 Å²	97.1	57%	0.565	55%	0.553	S	S	*	*	H	α-helix	trans	-69.3	-22.5	178.2	-145.8	-31.3	0	0	0	113.6	A1045 Q1047	A1045-H1049 PolarHBondContact O-N 2.88Å; Q1047-H1049 VanDerWaalsContact C-N 3.28Å; Q1047-H1049 PolarHBondContact O-N 2.81Å
1050	S	47.8	Very low	50.7	Low	75 Å²	75	98.4 Å²	98.4	52%	0.524	56%	0.555	S	S	.	*	H	α-helix	trans	-83.9	-40.1	176.9	-56.4	0	0	0	0	111.3	N1046 Q1047 A1048 K1053 L1054	N1046-S1050 PolarHBondContact O-N 2.94Å; N1046-S1050 PolarHBondContact O-OG 3.24Å; Q1047-S1050 WeakPolarHBondContact O-CB 3.39Å; Q1047-S1050 PolarHBondContact O-N 3.16Å; A1048-S1050 PolarHBondContact O-N 3.44Å; S1050-K1053 PolarHBondContact O-N 2.87Å; S1050-L1054 PolarHBondContact O-N 2.88Å
1051	L	48.8	Very low	50.4	Low	98 Å²	98	98.6 Å²	98.6	51%	0.513	55%	0.55	S	S	.	*	H	α-helix	trans	-65.8	-43.5	174.3	-72	169.6	0	0	0	111.9	Q1047 A1048 K1053 L1054 E1055	Q1047-L1051 PolarHBondContact O-N 3.36Å; A1048-L1051 PolarHBondContact O-N 2.88Å; L1051-K1053 PolarHBondContact O-N 2.91Å; L1051-L1054 WeakPolarHBondContact O-CA 3.15Å; L1051-L1054 WeakPolarHBondContact O-CB 3.38Å; L1051-L1054 PolarHBondContact O-N 3.45Å; L1051-E1055 PolarHBondContact O-N 2.88Å
1052	Q	51.6	Low	50	Low	129 Å²	129	101.1 Å²	101.1	60%	0.603	57%	0.565	S	S	*	*	H	α-helix	trans	-60.5	-32.7	173.6	-76.7	-174.8	-32.1	0	0	113.1	A1048 A1056	A1048-Q1052 PolarHBondContact O-N 2.88Å; Q1052-A1056 VanDerWaalsContact O-CB 3.22Å; Q1052-A1056 WeakPolarHBondContact O-CB 3.09Å; Q1052-A1056 PolarHBondContact O-N 3.22Å; Q1052-A1056 VanDerWaalsContact O-N 3.13Å
1053	K	54.4	Low	49.7	Very low	141 Å²	141	105.1 Å²	105.1	61%	0.613	59%	0.588	S	S	*	*	H	α-helix	trans	-74.1	-25.4	172	-83.5	-173.5	173.9	-175.1	0	113.2	S1050 L1051 N1057	S1050-K1053 PolarHBondContact O-N 2.87Å; L1051-K1053 PolarHBondContact O-N 2.91Å; K1053-N1057 WeakPolarHBondContact O-CB 3.44Å; K1053-N1057 VanDerWaalsContact O-CG 3.26Å; K1053-N1057 PolarHBondContact O-ND2 2.82Å
1054	L	46.9	Very low	50.1	Low	103 Å²	103	108 Å²	108	54%	0.539	60%	0.601	S	S	.	*	H	α-helix	trans	-78.1	-46.7	175.8	-139.3	81.1	0	0	0	110.5	S1050 L1051 A1056 N1057 I1058	S1050-L1054 PolarHBondContact O-N 2.88Å; L1051-L1054 WeakPolarHBondContact O-CA 3.15Å; L1051-L1054 WeakPolarHBondContact O-CB 3.38Å; L1051-L1054 PolarHBondContact O-N 3.45Å; L1054-A1056 PolarHBondContact O-N 2.95Å; L1054-N1057 CarbonylContact O-C 3.33Å; L1054-N1057 PolarHBondContact O-N 2.81Å; L1054-N1057 VanDerWaalsContact O-N 3.08Å; L1054-I1058 HydrophobicContact CD2-CD1 4.36Å; L1054-I1058 HydrophobicContact CG-CD1 4.22Å; L1054-I1058 WeakPolarHBondContact O-CD1 3.39Å; L1054-I1058 VanDerWaalsContact O-CG1 3.26Å; L1054-I1058 WeakPolarHBondContact O-CG1 3.43Å; L1054-I1058 PolarHBondContact O-N 3.2Å
1055	E	51.6	Low	50.5	Low	127 Å²	127	111.4 Å²	111.4	59%	0.593	62%	0.615	S	S	*	*	H	α-helix	trans	-59.6	-46.5	176.4	-69.7	177.1	152.9	0	0	111.2	L1051 N1057 I1058 T1059	L1051-E1055 PolarHBondContact O-N 2.88Å; E1055-N1057 PolarHBondContact O-N 3.22Å; E1055-N1057 VanDerWaalsContact O-N 3.13Å; E1055-I1058 PolarHBondContact O-N 3.32Å; E1055-T1059 PolarHBondContact O-N 2.91Å; E1055-T1059 PolarHBondContact O-OG1 3.21Å
1056	A	61.4	Low	50.9	Low	65 Å²	65	113.3 Å²	113.3	54%	0.537	61%	0.608	S	S	.	*	T	Hydrogen-bonded Turn	trans	-70.9	-0.6	176.2	0	0	0	0	0	115.3	Q1052 L1054	Q1052-A1056 VanDerWaalsContact O-CB 3.22Å; Q1052-A1056 WeakPolarHBondContact O-CB 3.09Å; Q1052-A1056 PolarHBondContact O-N 3.22Å; Q1052-A1056 VanDerWaalsContact O-N 3.13Å; L1054-A1056 PolarHBondContact O-N 2.95Å
1057	N	58.2	Low	51.6	Low	137 Å²	137	111.8 Å²	111.8	73%	0.733	60%	0.601	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110	-2.3	169.5	-77.4	-31.9	0	0	0	112.2	K1053 L1054 E1055	K1053-N1057 WeakPolarHBondContact O-CB 3.44Å; K1053-N1057 VanDerWaalsContact O-CG 3.26Å; K1053-N1057 PolarHBondContact O-ND2 2.82Å; L1054-N1057 CarbonylContact O-C 3.33Å; L1054-N1057 PolarHBondContact O-N 2.81Å; L1054-N1057 VanDerWaalsContact O-N 3.08Å; E1055-N1057 PolarHBondContact O-N 3.22Å; E1055-N1057 VanDerWaalsContact O-N 3.13Å
1058	I	60.5	Low	52	Low	135 Å²	135	111.8 Å²	111.8	69%	0.692	61%	0.607	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110	-26	-179.7	-69.4	167.1	0	0	0	110.9	L1054 E1055	L1054-I1058 HydrophobicContact CD2-CD1 4.36Å; L1054-I1058 HydrophobicContact CG-CD1 4.22Å; L1054-I1058 WeakPolarHBondContact O-CD1 3.39Å; L1054-I1058 VanDerWaalsContact O-CG1 3.26Å; L1054-I1058 WeakPolarHBondContact O-CG1 3.43Å; L1054-I1058 PolarHBondContact O-N 3.2Å; E1055-I1058 PolarHBondContact O-N 3.32Å
1059	T	46.9	Very low	52.4	Low	169 Å²	169	118.3 Å²	118.3	100%	1.037	63%	0.632	S	S	*	*			trans	-87.3	0	160.6	57.9	0	0	0	0	111.6	E1055	E1055-T1059 PolarHBondContact O-N 2.91Å; E1055-T1059 PolarHBondContact O-OG1 3.21Å

Retrieved 1,059 of 1,059 residues in 2011.8 ms (Link to these results)

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