A0A077YVS9_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077YVS9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 893 aa.

						>A0A077YVS9_TRITR|A0A077YVS9
MSTDREPQTSLTKLKRFSYASDTWQQQQQRVDQRLWNNQAIIMEHNDDDDDHLRPPPPSLANRQNGYEDANEESFLSWEVEEFSTGLLAVSNAFAHPKEELQPKNSVSIEGSLQRLSRGAAPPAASSRQAQSDDITPKAWDPNVESARWSRSVPFLLLPSGHESERSGEEDTSTTTSSTLSSSLRVGLTPKKAIDSSCGRLVARQDDANFRGQRKVRTYDRASSKNIDDKLKEFKKDLRSMNQSSATSRKARPGSVVTPMAAIAEENHLAKSIELIGDGGRTVHVDLYRHVAARPTTNRKGGNATTKEKSRKGQQQQQQHSTKGVVQESGASSDRRNPFRNLRRLLGLSTGADTSTQWRFHSLRHFPSSLSWNRGSSSNAGKEARTGFLHGTDYCAASQELLNSSSVNVKELAEIRISEDNTERDSIALSDSMGPRSGTISSTRSSNYLTASMTDCSTLTKQHSNAKLNPIEEETSKRSAKSSETYSNEATLQQGTQRASLLYLSTIGYICHNFPKRANLWWRRHGRCGTSSKLCWKDVTLRSNKPVLVSRIAVYYDGFMSVGAGEEANVTAMVVPAKYKNPWPKTRPMPFTLPCVVEMRENLNSELLCCQECWQANTVCTHSEEEHQQCVPCTVYILPKATLCTTKQVVNGYARTLADQTTTAEQLVSVVNKFNFLMIQLITVFKFLQSMGIEETKNDLEDIVVMQMEADRMPRVTLEWDSVFIDERMTSNNRTVDSRPKLPLCKVAAAQLVEILNVLNDRCADGANLSSLSNVNKWYAVFPLFKIGLAKAAHVLFEGKCDALTRAQTLLQYLFWVAGKTDRLTTEDRARIWLDNQRVALLCHLVKRMLNPLYEIDVEEHYRLLFLLHASSKSLLEAEKMTFLLRSSNETTT
					

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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	36.6	Very low	34.5	Very low	248 Å²	248	145.6 Å²	145.6	100%	1.222	78%	0.782	S	S	*	*				0	136.8	0	-76.7	171.6	159.4	0	0	107.4
2	S	33.7	Very low	34.2	Very low	109 Å²	109	144.5 Å²	144.5	76%	0.762	78%	0.784	S	S	*	*			trans	-70.1	143.5	-166	-75.1	0	0	0	0	113.8
3	T	38.6	Very low	33.9	Very low	107 Å²	107	147.7 Å²	147.7	66%	0.656	79%	0.786	S	S	*	*				65.1	137	51.3	72.9	0	0	0	0	113.2
4	D	40.1	Very low	33.4	Very low	140 Å²	140	150.1 Å²	150.1	75%	0.749	80%	0.798	S	S	*	*			cis	-171.1	176.5	-11.8	-99.3	-22.6	0	0	0	107.9
5	R	36.8	Very low	33.4	Very low	191 Å²	191	151.4 Å²	151.4	72%	0.721	79%	0.794	S	S	*	*			cis	176.2	127	-39.8	175.9	-160.8	157.4	174.9	-4.6	109.3
6	E	33.3	Very low	33.1	Very low	135 Å²	135	154.5 Å²	154.5	63%	0.631	79%	0.792	S	S	*	*			trans	60.6	173.5	166.2	-84.5	-168	104.7	0	0	116.9
7	P	36.3	Very low	32.7	Very low	116 Å²	116	158.3 Å²	158.3	75%	0.753	80%	0.802	S	S	*	*			cis	-124.2	172.7	4.9	40.3	-25.2	0	0	0	117
8	Q	30	Very low	32.6	Very low	165 Å²	165	154 Å²	154	77%	0.771	79%	0.789	S	S	*	*			trans	-78.8	151.2	168.1	-57.4	176.5	-3.1	0	0	112.1
9	T	35.9	Very low	32.6	Very low	148 Å²	148	156.1 Å²	156.1	91%	0.908	79%	0.787	S	S	*	*			trans	-129.5	146.7	147.6	53.2	0	0	0	0	109.4
10	S	29.2	Very low	32.8	Very low	90 Å²	90	152.3 Å²	152.3	63%	0.629	78%	0.78	S	S	*	*			trans	-131.8	-174.9	-165	64.6	0	0	0	0	112.6
11	L	29.6	Very low	33.2	Very low	153 Å²	153	148.1 Å²	148.1	80%	0.801	77%	0.765	S	S	*	*			trans	75.7	142.4	177.4	-50.3	121.6	0	0	0	114.3
12	T	31	Very low	33.3	Very low	132 Å²	132	140.3 Å²	140.3	81%	0.81	73%	0.728	S	S	*	*			cis	-146.5	164.5	2.6	-17.4	0	0	0	0	113.3
13	K	29.2	Very low	33.8	Very low	186 Å²	186	139.5 Å²	139.5	81%	0.809	72%	0.719	S	S	*	*			trans	-81.1	128.7	-174.8	-63.6	160.5	-177.9	163.5	0	114
14	L	28	Very low	34.1	Very low	181 Å²	181	140.4 Å²	140.4	95%	0.948	71%	0.71	S	S	*	*			trans	-91.9	82.1	160.4	-101.7	156.5	0	0	0	117.3
15	K	32.2	Very low	34.4	Very low	170 Å²	170	137.7 Å²	137.7	74%	0.739	69%	0.693	S	S	*	*			trans	-86.9	131.6	-174.7	-94.1	-170.4	178.1	-178	0	113.8
16	R	28.6	Very low	35.1	Very low	201 Å²	201	133.7 Å²	133.7	76%	0.758	68%	0.683	S	S	*	*			trans	35.8	116.7	149	-67.8	-177.6	173.5	-179.7	-4.3	119.2
17	F	26.2	Very low	36	Very low	219 Å²	219	133.6 Å²	133.6	96%	0.961	68%	0.682	S	S	*	*			trans	-129.9	111.3	130.2	-85.7	-84.1	0	0	0	108.3
18	S	32.4	Very low	36.9	Very low	81 Å²	81	131.3 Å²	131.3	57%	0.566	66%	0.662	S	S	*	*			trans	-152.3	32.2	-172	-170.3	0	0	0	0	112.4
19	Y	31.4	Very low	38.1	Very low	194 Å²	194	128.7 Å²	128.7	76%	0.761	65%	0.649	S	S	*	*	S	Bend	trans	-131.1	6.1	-174.6	-95.3	-80.1	0	0	0	114.2
20	A	37.1	Very low	38.9	Very low	79 Å²	79	129 Å²	129	65%	0.653	63%	0.634	S	S	*	*	S	Bend	trans	-107.9	-12.5	175.9	0	0	0	0	0	113.3	T23	A20-T23 PolarHBondContact O-OG1 2.99Å
21	S	40.7	Very low	39.9	Very low	65 Å²	65	128 Å²	128	46%	0.455	62%	0.624	S	S	.	*	H	α-helix	trans	-71.2	-53.1	177.4	-176.6	0	0	0	0	110.7	T23 W24 Q25	S21-T23 PolarHBondContact O-N 3.2Å; S21-W24 WeakPolarHBondContact O-CA 3.21Å; S21-W24 WeakPolarHBondContact O-CB 3.37Å; S21-W24 PolarHBondContact O-N 3.31Å; S21-Q25 PolarHBondContact O-N 3.36Å
22	D	39	Very low	40.7	Very low	84 Å²	84	124.1 Å²	124.1	45%	0.449	60%	0.604	S	S	.	*	H	α-helix	trans	-70.1	-35	-165.2	-48.2	-11.1	0	0	0	112	W24 Q25 Q26	D22-W24 VanDerWaalsContact C-N 3.3Å; D22-W24 PolarHBondContact O-N 2.84Å; D22-Q25 PolarHBondContact O-N 2.88Å; D22-Q26 PolarHBondContact O-N 3.18Å
23	T	44	Very low	41.4	Very low	93 Å²	93	124.1 Å²	124.1	57%	0.571	60%	0.595	S	S	*	*	H	α-helix	trans	-64	-34.8	171.4	47.6	0	0	0	0	112.4	A20 S21 Q27	A20-T23 PolarHBondContact O-OG1 2.99Å; S21-T23 PolarHBondContact O-N 3.2Å; T23-Q27 PolarHBondContact O-N 3.21Å; T23-Q27 VanDerWaalsContact O-N 3.15Å
24	W	45.1	Very low	42.2	Very low	125 Å²	125	124.3 Å²	124.3	47%	0.473	59%	0.59	S	S	.	*	H	α-helix	trans	-78.7	-38.7	179.1	-148.5	83.6	0	0	0	111.2	S21 D22 Q27 Q28 L853	S21-W24 WeakPolarHBondContact O-CA 3.21Å; S21-W24 WeakPolarHBondContact O-CB 3.37Å; S21-W24 PolarHBondContact O-N 3.31Å; D22-W24 VanDerWaalsContact C-N 3.3Å; D22-W24 PolarHBondContact O-N 2.84Å; W24-Q27 PolarHBondContact O-N 2.99Å; W24-Q28 WeakPolarHBondContact O-CB 3.49Å; W24-Q28 PolarHBondContact O-N 3.19Å; W24-L853 HydrophobicContact CE3-CD1 4.26Å; W24-L853 HydrophobicContact CZ3-CD1 4.15Å
25	Q	46.6	Very low	42.9	Very low	83 Å²	83	120.7 Å²	120.7	39%	0.388	57%	0.571	S	S	.	*	H	α-helix	trans	-61.6	-42.9	170.9	-71.4	-165.2	-96.9	0	0	112.1	S21 D22 Q27 Q28 Q29	S21-Q25 PolarHBondContact O-N 3.36Å; D22-Q25 PolarHBondContact O-N 2.88Å; Q25-Q27 VanDerWaalsContact C-N 3.31Å; Q25-Q27 PolarHBondContact O-N 3.12Å; Q25-Q28 PolarHBondContact O-N 2.79Å; Q25-Q29 WeakPolarHBondContact O-CB 3.47Å; Q25-Q29 WeakPolarHBondContact O-CG 3.44Å; Q25-Q29 PolarHBondContact O-N 3.42Å
26	Q	51.7	Low	43.3	Very low	108 Å²	108	122.4 Å²	122.4	51%	0.505	57%	0.573	S	S	.	*	H	α-helix	trans	-62.5	-36.2	173.3	-81.5	-160.5	4.7	0	0	112.9	D22 R30	D22-Q26 PolarHBondContact O-N 3.18Å; Q26-R30 VanDerWaalsContact O-CG 3.28Å; Q26-R30 WeakPolarHBondContact O-CG 3.34Å; Q26-R30 PolarHBondContact O-N 3.35Å; Q26-R30 VanDerWaalsContact OE1-NH2 3.15Å
27	Q	52.1	Low	44.1	Very low	132 Å²	132	117.9 Å²	117.9	62%	0.617	56%	0.564	S	S	*	*	H	α-helix	trans	-71.5	-38.8	178.3	-168.5	166.1	1.4	0	0	111.5	T23 W24 Q25 R30 V31	T23-Q27 PolarHBondContact O-N 3.21Å; T23-Q27 VanDerWaalsContact O-N 3.15Å; W24-Q27 PolarHBondContact O-N 2.99Å; Q25-Q27 VanDerWaalsContact C-N 3.31Å; Q25-Q27 PolarHBondContact O-N 3.12Å; Q27-R30 PolarHBondContact O-N 3.35Å; Q27-V31 PolarHBondContact O-N 3.35Å
28	Q	54	Low	44.8	Very low	69 Å²	69	112.8 Å²	112.8	32%	0.322	55%	0.547	S	S	.	.	H	α-helix	trans	-62.1	-51.3	173.1	-169	68.6	53.2	0	0	111.3	W24 Q25 R30 V31 D32	W24-Q28 WeakPolarHBondContact O-CB 3.49Å; W24-Q28 PolarHBondContact O-N 3.19Å; Q25-Q28 PolarHBondContact O-N 2.79Å; Q28-R30 VanDerWaalsContact C-N 3.25Å; Q28-R30 PolarHBondContact O-N 2.9Å; Q28-V31 WeakPolarHBondContact O-CA 3.46Å; Q28-V31 WeakPolarHBondContact O-CB 3.47Å; Q28-V31 PolarHBondContact O-N 3.29Å; Q28-D32 PolarHBondContact NE2-OD1 3.37Å; Q28-D32 VanDerWaalsContact NE2-OD1 3.17Å; Q28-D32 VanDerWaalsContact O-CG 3.3Å; Q28-D32 PolarHBondContact O-N 3.21Å
29	Q	55.4	Low	45.2	Very low	109 Å²	109	116.8 Å²	116.8	51%	0.509	56%	0.557	S	S	.	*	H	α-helix	trans	-56.1	-36.2	177.6	-78	179.2	-34.6	0	0	113.1	Q25 V31 Q33	Q25-Q29 WeakPolarHBondContact O-CB 3.47Å; Q25-Q29 WeakPolarHBondContact O-CG 3.44Å; Q25-Q29 PolarHBondContact O-N 3.42Å; Q29-V31 VanDerWaalsContact C-N 3.34Å; Q29-Q33 WeakPolarHBondContact O-CB 3.37Å; Q29-Q33 PolarHBondContact O-N 3.07Å
30	R	54.1	Low	45.6	Very low	154 Å²	154	111.3 Å²	111.3	58%	0.581	55%	0.551	S	S	*	*	H	α-helix	trans	-71.6	-23.7	175.6	-71.4	177.4	-154.3	-172.7	8.6	114	Q26 Q27 Q28 R34	Q26-R30 VanDerWaalsContact O-CG 3.28Å; Q26-R30 WeakPolarHBondContact O-CG 3.34Å; Q26-R30 PolarHBondContact O-N 3.35Å; Q26-R30 VanDerWaalsContact OE1-NH2 3.15Å; Q27-R30 PolarHBondContact O-N 3.35Å; Q28-R30 VanDerWaalsContact C-N 3.25Å; Q28-R30 PolarHBondContact O-N 2.9Å; R30-R34 WeakPolarHBondContact O-CD 3.35Å; R30-R34 VanDerWaalsContact O-CG 3.27Å; R30-R34 WeakPolarHBondContact O-CG 3.48Å
31	V	49.7	Very low	45.7	Very low	70 Å²	70	114 Å²	114	42%	0.424	55%	0.553	S	S	.	*	H	α-helix	trans	-78.8	-47.1	172.1	172.9	0	0	0	0	109.3	Q27 Q28 Q29 Q33 R34 L35	Q27-V31 PolarHBondContact O-N 3.35Å; Q28-V31 WeakPolarHBondContact O-CA 3.46Å; Q28-V31 WeakPolarHBondContact O-CB 3.47Å; Q28-V31 PolarHBondContact O-N 3.29Å; Q29-V31 VanDerWaalsContact C-N 3.34Å; V31-Q33 PolarHBondContact O-N 3.26Å; V31-R34 WeakPolarHBondContact O-CB 3.42Å; V31-R34 PolarHBondContact O-N 3.35Å; V31-R34 VanDerWaalsContact O-N 3.07Å; V31-L35 HydrophobicContact CG1-CD1 4.1Å; V31-L35 PolarHBondContact O-N 3.08Å
32	D	45.5	Very low	45.6	Very low	71 Å²	71	117.8 Å²	117.8	38%	0.38	57%	0.567	S	S	.	*	H	α-helix	trans	-64.1	-39.7	-178.4	-55.1	-22.3	0	0	0	111.4	Q28 R34 L35 W36	Q28-D32 PolarHBondContact NE2-OD1 3.37Å; Q28-D32 VanDerWaalsContact NE2-OD1 3.17Å; Q28-D32 VanDerWaalsContact O-CG 3.3Å; Q28-D32 PolarHBondContact O-N 3.21Å; D32-R34 VanDerWaalsContact C-N 3.35Å; D32-R34 PolarHBondContact O-N 2.84Å; D32-L35 PolarHBondContact O-N 3.23Å; D32-W36 PolarHBondContact O-N 2.72Å
33	Q	45.6	Very low	45.4	Very low	133 Å²	133	122.1 Å²	122.1	62%	0.621	59%	0.587	S	S	*	*	H	α-helix	trans	-62.6	-34.7	171.5	-96.1	-174.9	-21.7	0	0	113.8	Q29 V31 N37	Q29-Q33 WeakPolarHBondContact O-CB 3.37Å; Q29-Q33 PolarHBondContact O-N 3.07Å; V31-Q33 PolarHBondContact O-N 3.26Å; Q33-N37 PolarHBondContact O-N 3Å; Q33-N37 PolarHBondContact O-OD1 2.93Å
34	R	47	Very low	45	Very low	189 Å²	189	126.4 Å²	126.4	71%	0.713	60%	0.6	S	S	*	*	H	α-helix	trans	-71.2	-37.9	177.1	-77.1	174.2	174.9	-156.6	-4.8	111.4	R30 V31 D32 N38	R30-R34 WeakPolarHBondContact O-CD 3.35Å; R30-R34 VanDerWaalsContact O-CG 3.27Å; R30-R34 WeakPolarHBondContact O-CG 3.48Å; V31-R34 WeakPolarHBondContact O-CB 3.42Å; V31-R34 PolarHBondContact O-N 3.35Å; V31-R34 VanDerWaalsContact O-N 3.07Å; D32-R34 VanDerWaalsContact C-N 3.35Å; D32-R34 PolarHBondContact O-N 2.84Å; R34-N38 WeakPolarHBondContact O-CB 3.41Å; R34-N38 PolarHBondContact O-N 3.31Å; R34-N38 VanDerWaalsContact O-N 3.16Å; R34-N38 PolarHBondContact O-OD1 3.22Å
35	L	42.7	Very low	44.7	Very low	105 Å²	105	128.7 Å²	128.7	55%	0.55	62%	0.616	S	S	.	*	H	α-helix	trans	-65.6	-40.4	174.7	-71	166.6	0	0	0	111.8	V31 D32 Q39	V31-L35 HydrophobicContact CG1-CD1 4.1Å; V31-L35 PolarHBondContact O-N 3.08Å; D32-L35 PolarHBondContact O-N 3.23Å; L35-Q39 PolarHBondContact O-N 3.13Å
36	W	41.2	Very low	44.2	Very low	206 Å²	206	131.5 Å²	131.5	78%	0.78	63%	0.633	S	S	*	*	H	α-helix	trans	-63.9	-49.7	174.1	-102.2	46.7	0	0	0	112.9	D32 N38 Q39 A40	D32-W36 PolarHBondContact O-N 2.72Å; W36-N38 VanDerWaalsContact C-N 3.26Å; W36-N38 PolarHBondContact O-N 3.19Å; W36-Q39 PolarHBondContact O-N 3.1Å; W36-Q39 VanDerWaalsContact O-N 3.11Å; W36-A40 PolarHBondContact O-N 3.39Å
37	N	43.8	Very low	43.6	Very low	106 Å²	106	132.4 Å²	132.4	57%	0.567	64%	0.642	S	S	*	*	H	α-helix	trans	-62.5	-33.2	-178.5	-74.6	11.8	0	0	0	112.5	Q33 Q39 A40 I41	Q33-N37 PolarHBondContact O-N 3Å; Q33-N37 PolarHBondContact O-OD1 2.93Å; N37-Q39 VanDerWaalsContact C-N 3.34Å; N37-Q39 PolarHBondContact O-N 3.24Å; N37-A40 PolarHBondContact O-N 3.26Å; N37-I41 WeakPolarHBondContact O-CD1 3.3Å; N37-I41 WeakPolarHBondContact O-CG1 3.25Å
38	N	42.1	Very low	43.1	Very low	112 Å²	112	133.3 Å²	133.3	60%	0.599	65%	0.651	S	S	*	*	H	α-helix	trans	-74.2	-20	177.9	-75.8	31.7	0	0	0	113.7	R34 W36	R34-N38 WeakPolarHBondContact O-CB 3.41Å; R34-N38 PolarHBondContact O-N 3.31Å; R34-N38 VanDerWaalsContact O-N 3.16Å; R34-N38 PolarHBondContact O-OD1 3.22Å; W36-N38 VanDerWaalsContact C-N 3.26Å; W36-N38 PolarHBondContact O-N 3.19Å
39	Q	40.5	Very low	42.6	Very low	166 Å²	166	137.1 Å²	137.1	78%	0.776	67%	0.673	S	S	*	*	H	α-helix	trans	-86.9	-17.1	172.5	-98.3	-176.7	-13.4	0	0	113.7	L35 W36 N37 I41	L35-Q39 PolarHBondContact O-N 3.13Å; W36-Q39 PolarHBondContact O-N 3.1Å; W36-Q39 VanDerWaalsContact O-N 3.11Å; N37-Q39 VanDerWaalsContact C-N 3.34Å; N37-Q39 PolarHBondContact O-N 3.24Å; Q39-I41 VanDerWaalsContact C-N 3.35Å; Q39-I41 PolarHBondContact O-N 3.23Å
40	A	39.4	Very low	42.1	Very low	78 Å²	78	139 Å²	139	65%	0.645	69%	0.687	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.8	-0.6	-177.6	0	0	0	0	0	114.8	W36 N37	W36-A40 PolarHBondContact O-N 3.39Å; N37-A40 PolarHBondContact O-N 3.26Å
41	I	38.7	Very low	41.6	Very low	135 Å²	135	137.5 Å²	137.5	69%	0.692	69%	0.691	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.1	-0.1	-168.6	-67.5	172	0	0	0	112.9	N37 Q39	N37-I41 WeakPolarHBondContact O-CD1 3.3Å; N37-I41 WeakPolarHBondContact O-CG1 3.25Å; Q39-I41 VanDerWaalsContact C-N 3.35Å; Q39-I41 PolarHBondContact O-N 3.23Å
42	I	39.2	Very low	41.5	Very low	146 Å²	146	141.1 Å²	141.1	75%	0.749	70%	0.703	S	S	*	*	S	Bend	trans	-121.4	38.4	-175.2	-36.6	-177.9	0	0	0	111.8
43	M	34.9	Very low	41.3	Very low	174 Å²	174	144.9 Å²	144.9	86%	0.857	72%	0.722	S	S	*	*	S	Bend	trans	-147.5	29.4	-179.5	-100.1	-165.9	70.2	0	0	115.3
44	E	35.1	Very low	41.2	Very low	183 Å²	183	150.3 Å²	150.3	86%	0.855	74%	0.737	S	S	*	*			trans	-133.8	96.9	170.7	-69.8	-170.3	160	0	0	111.9
45	H	38.4	Very low	41.2	Very low	173 Å²	173	147 Å²	147	80%	0.801	74%	0.739	S	S	*	*			trans	176.2	170.8	142.3	-96.8	-31.4	0	0	0	112
46	N	37.6	Very low	41.1	Very low	142 Å²	142	147.7 Å²	147.7	76%	0.759	75%	0.75	S	S	*	*			trans	75.4	86.6	-164.3	-52	10.1	0	0	0	110.6
47	D	38.6	Very low	41.6	Very low	128 Å²	128	143.7 Å²	143.7	68%	0.684	75%	0.751	S	S	*	*				71	132.7	71.7	-51.7	-33.9	0	0	0	110.1
48	D	41.2	Very low	41.5	Very low	151 Å²	151	144.2 Å²	144.2	81%	0.807	76%	0.76	S	S	*	*				-145	178.5	54.5	-78.8	-51.1	0	0	0	115.6
49	D	42.7	Very low	41.1	Very low	148 Å²	148	144.2 Å²	144.2	79%	0.791	77%	0.769	S	S	*	*			trans	83.9	116.1	155.6	-65.5	-22.9	0	0	0	122.9
50	D	45.2	Very low	41	Very low	148 Å²	148	145 Å²	145	79%	0.791	78%	0.778	S	S	*	*			trans	91	126	144.2	-73.2	-23.7	0	0	0	125
51	D	43.7	Very low	41	Very low	123 Å²	123	145 Å²	145	66%	0.658	78%	0.777	S	S	*	*			trans	71.8	99.7	151.8	-76	-11.5	0	0	0	124.6
52	H	48.3	Very low	40.8	Very low	146 Å²	146	146.1 Å²	146.1	68%	0.676	79%	0.785	S	S	*	*				103.9	104.9	117.3	-80.7	32.5	0	0	0	120.8
53	L	40.5	Very low	40.6	Very low	150 Å²	150	150.8 Å²	150.8	79%	0.785	79%	0.793	S	S	*	*			trans	72.3	90	131.3	-57.8	171.8	0	0	0	120.9
54	R	44.1	Very low	40.5	Very low	248 Å²	248	150.9 Å²	150.9	94%	0.936	79%	0.791	S	S	*	*				-166.9	150.7	118.5	-108.1	173	178.4	-173.9	-0.6	113.6
55	P	46.7	Very low	40.5	Very low	118 Å²	118	150.1 Å²	150.1	77%	0.766	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-95.3	156.6	-172.6	37.1	-35	0	0	0	114.6
56	P	40.5	Very low	40.2	Very low	120 Å²	120	145.3 Å²	145.3	78%	0.779	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-94.9	155.7	178.6	37.1	-35.3	0	0	0	114.3
57	P	52.9	Low	40	Very low	122 Å²	122	149.8 Å²	149.8	79%	0.792	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-93.3	157.4	162.4	36.1	-31.5	0	0	0	112.4
58	P	41.4	Very low	40	Very low	117 Å²	117	152.6 Å²	152.6	76%	0.76	81%	0.807	S	S	*	*			trans	-108	160.6	-159.4	41.1	-36.8	0	0	0	117
59	S	34.1	Very low	39.8	Very low	113 Å²	113	153 Å²	153	79%	0.79	81%	0.809	S	S	*	*			trans	20.4	132.1	150	58.8	0	0	0	0	122.1
60	L	38.4	Very low	39.4	Very low	183 Å²	183	150.3 Å²	150.3	96%	0.958	81%	0.808	S	S	*	*			trans	-152.4	154.5	136.3	-114.1	171	0	0	0	111.7
61	A	38.4	Very low	39	Very low	77 Å²	77	149.4 Å²	149.4	64%	0.636	80%	0.803	S	S	*	*			trans	-100.4	161.4	-154.1	0	0	0	0	0	116.4
62	N	33.9	Very low	38.5	Very low	159 Å²	159	152.3 Å²	152.3	85%	0.85	81%	0.813	S	S	*	*			trans	51	112.8	149.8	-75	-19.6	0	0	0	119.6
63	R	35.2	Very low	37.6	Very low	244 Å²	244	152.7 Å²	152.7	92%	0.921	82%	0.815	S	S	*	*				-150.5	151.3	121.4	-118.2	171.3	-174.3	-178.5	1.6	112.8
64	Q	34.2	Very low	37.2	Very low	176 Å²	176	149 Å²	149	82%	0.822	80%	0.802	S	S	*	*			trans	-71.2	137.9	-176.6	-60.7	144.3	-62.1	0	0	111.4
65	N	35.1	Very low	36.5	Very low	166 Å²	166	146 Å²	146	89%	0.888	80%	0.796	S	S	*	*				-164.6	154.4	128.5	-92.6	-28.7	0	0	0	109
66	G	30.4	Very low	35.6	Very low	72 Å²	72	147.8 Å²	147.8	74%	0.742	80%	0.798	S	S	*	*			trans	-78	156.5	-165	0	0	0	0	0	115.3
67	Y	35.3	Very low	35.3	Very low	237 Å²	237	144.4 Å²	144.4	93%	0.929	78%	0.777	S	S	*	*			trans	-123	144.6	153.2	-102.6	-101.3	0	0	0	107.5
68	E	37.9	Very low	34.2	Very low	187 Å²	187	149 Å²	149	87%	0.874	78%	0.779	S	S	*	*			trans	-86.2	141.1	171.9	-63.7	176.5	128.1	0	0	108.9	A70	E68-A70 PolarHBondContact O-N 3.02Å
69	D	36.1	Very low	33.9	Very low	158 Å²	158	151.8 Å²	151.8	85%	0.845	78%	0.782	S	S	*	*			trans	-64.7	129	176.7	-73.6	-56.5	0	0	0	110.9	N71	D69-N71 PolarHBondContact O-N 3.34Å
70	A	36.2	Very low	34.1	Very low	93 Å²	93	151.1 Å²	151.1	77%	0.769	77%	0.773	S	S	*	*			trans	-77.7	89.9	177.6	0	0	0	0	0	110.5	E68 E72	E68-A70 PolarHBondContact O-N 3.02Å; A70-E72 PolarHBondContact O-N 3.32Å
71	N	35.8	Very low	33.9	Very low	129 Å²	129	148 Å²	148	69%	0.69	75%	0.753	S	S	*	*			trans	-64.1	105.1	172.6	-119.9	40	0	0	0	110.2	D69 E73	D69-N71 PolarHBondContact O-N 3.34Å; N71-E73 PolarHBondContact ND2-OE2 2.84Å; N71-E73 PolarHBondContact O-N 2.98Å
72	E	33	Very low	33.7	Very low	184 Å²	184	152.5 Å²	152.5	86%	0.86	76%	0.761	S	S	*	*			trans	-76.5	44.1	177.3	-62.1	-158.2	131.2	0	0	113.4	A70 S74	A70-E72 PolarHBondContact O-N 3.32Å; E72-S74 PolarHBondContact O-N 2.98Å
73	E	30.2	Very low	33.7	Very low	153 Å²	153	150.6 Å²	150.6	72%	0.715	75%	0.745	S	S	*	*			trans	-97.5	63.6	176.1	-72.1	-168.8	137.5	0	0	112.2	N71	N71-E73 PolarHBondContact ND2-OE2 2.84Å; N71-E73 PolarHBondContact O-N 2.98Å
74	S	31.4	Very low	33.6	Very low	73 Å²	73	141.7 Å²	141.7	51%	0.51	72%	0.72	S	S	.	*			trans	-153.8	124.1	169.1	-170.3	0	0	0	0	109.2	E72	E72-S74 PolarHBondContact O-N 2.98Å
75	F	28.6	Very low	33.7	Very low	185 Å²	185	137.7 Å²	137.7	81%	0.811	71%	0.708	S	S	*	*	S	Bend		-154.5	14.8	82.9	-114.1	-84.4	0	0	0	115.5
76	L	29.5	Very low	33.4	Very low	155 Å²	155	131.1 Å²	131.1	81%	0.812	68%	0.68	S	S	*	*	S	Bend	trans	-116.4	-3.9	-168.2	-72.4	176.6	0	0	0	117.6
77	S	32.8	Very low	33.6	Very low	49 Å²	49	131.5 Å²	131.5	34%	0.343	66%	0.664	S	S	.	*	S	Bend	trans	-90.4	-26.4	-174.2	39.8	0	0	0	0	115.6	E79	S77-E79 PolarHBondContact O-N 2.9Å
78	W	29.5	Very low	33.7	Very low	218 Å²	218	124.9 Å²	124.9	83%	0.826	65%	0.645	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78	-4.2	-158.4	-83.8	46.4	0	0	0	118.4
79	E	35.2	Very low	33.6	Very low	177 Å²	177	119.2 Å²	119.2	83%	0.827	63%	0.629	S	S	*	*	T	Hydrogen-bonded Turn	trans	-109.4	2.2	178.8	-76.7	-149.4	129.1	0	0	115.8	S77	S77-E79 PolarHBondContact O-N 2.9Å
80	V	38.6	Very low	33.5	Very low	99 Å²	99	115.3 Å²	115.3	60%	0.6	61%	0.611	S	S	*	*	T	Hydrogen-bonded Turn	trans	-128.2	-31.9	-176.5	-176.9	0	0	0	0	114.7	F83 S84	V80-F83 PolarHBondContact O-N 3.36Å; V80-S84 WeakPolarHBondContact O-CB 3.48Å; V80-S84 PolarHBondContact O-N 3.16Å; V80-S84 PolarHBondContact O-OG 3.12Å
81	E	35.1	Very low	33.5	Very low	117 Å²	117	114.8 Å²	114.8	55%	0.547	60%	0.602	S	S	.	*	H	α-helix	trans	-72.4	-41.2	-174.5	-71.2	-165.4	107.3	0	0	113.8	F83 S84 T85	E81-F83 PolarHBondContact O-N 3Å; E81-S84 PolarHBondContact O-N 2.97Å; E81-S84 PolarHBondContact O-OG 3.36Å; E81-T85 WeakPolarHBondContact O-CB 3.47Å; E81-T85 WeakPolarHBondContact O-CG2 3.2Å; E81-T85 PolarHBondContact O-N 2.93Å; E81-T85 VanDerWaalsContact O-N 3.07Å; E81-T85 PolarHBondContact O-OG1 3.38Å
82	E	34.2	Very low	33.5	Very low	172 Å²	172	114.3 Å²	114.3	80%	0.804	60%	0.599	S	S	*	*	H	α-helix	trans	-59.8	-33.3	173.1	-64.4	-165.8	150	0	0	112.7
83	F	33	Very low	33.7	Very low	118 Å²	118	109.2 Å²	109.2	52%	0.518	59%	0.589	S	S	.	*	H	α-helix	trans	-87.2	-12.9	-174.4	-150.8	-98.7	0	0	0	113.8	V80 E81 Y288	V80-F83 PolarHBondContact O-N 3.36Å; E81-F83 PolarHBondContact O-N 3Å; F83-Y288 WeakPolarHBondContact CE1-OH 3.47Å; F83-Y288 HydrophobicContact CZ-CE2 4.4Å
84	S	34.1	Very low	33.9	Very low	57 Å²	57	110.6 Å²	110.6	40%	0.399	59%	0.593	S	S	.	*	H	α-helix	trans	-105.4	-37.4	-179.5	51.8	0	0	0	0	112.9	V80 E81 G86 L87	V80-S84 WeakPolarHBondContact O-CB 3.48Å; V80-S84 PolarHBondContact O-N 3.16Å; V80-S84 PolarHBondContact O-OG 3.12Å; E81-S84 PolarHBondContact O-N 2.97Å; E81-S84 PolarHBondContact O-OG 3.36Å; S84-G86 PolarHBondContact O-N 3.43Å; S84-L87 PolarHBondContact O-N 3.35Å
85	T	35	Very low	34	Very low	92 Å²	92	110.2 Å²	110.2	56%	0.564	59%	0.594	S	S	*	*	H	α-helix	trans	-60.4	-43.7	174	49.9	0	0	0	0	112.2	E81 L87 L88	E81-T85 WeakPolarHBondContact O-CB 3.47Å; E81-T85 WeakPolarHBondContact O-CG2 3.2Å; E81-T85 PolarHBondContact O-N 2.93Å; E81-T85 VanDerWaalsContact O-N 3.07Å; E81-T85 PolarHBondContact O-OG1 3.38Å; T85-L87 VanDerWaalsContact C-N 3.26Å; T85-L87 PolarHBondContact O-N 3.2Å; T85-L88 PolarHBondContact O-N 3.49Å
86	G	29.3	Very low	34.1	Very low	28 Å²	28	109.8 Å²	109.8	29%	0.289	59%	0.594	S	S	.	*	H	α-helix	trans	-61.4	-24.6	179.2	0	0	0	0	0	115.4	S84 V90	S84-G86 PolarHBondContact O-N 3.43Å; G86-V90 WeakPolarHBondContact O-CG2 3.45Å
87	L	34.4	Very low	34.4	Very low	80 Å²	80	108.2 Å²	108.2	42%	0.419	59%	0.593	S	S	.	*	H	α-helix	trans	-83.2	-28	-177.7	-103	85.4	0	0	0	114.4	S84 T85 S91	S84-L87 PolarHBondContact O-N 3.35Å; T85-L87 VanDerWaalsContact C-N 3.26Å; T85-L87 PolarHBondContact O-N 3.2Å; L87-S91 PolarHBondContact O-N 3.43Å; L87-S91 PolarHBondContact O-OG 3.01Å
88	L	37.5	Very low	34.6	Very low	99 Å²	99	115.8 Å²	115.8	52%	0.518	62%	0.62	S	S	.	*	H	α-helix	trans	-72.8	-40.1	174.3	-93.7	108.2	0	0	0	111.7	T85 V90 S91 N92	T85-L88 PolarHBondContact O-N 3.49Å; L88-V90 VanDerWaalsContact C-N 3.33Å; L88-V90 PolarHBondContact O-N 3.18Å; L88-S91 PolarHBondContact O-N 2.77Å; L88-S91 VanDerWaalsContact O-N 3.12Å; L88-N92 PolarHBondContact O-N 3.38Å
89	A	35.6	Very low	34.9	Very low	67 Å²	67	115 Å²	115	55%	0.554	63%	0.625	S	S	*	*	H	α-helix	trans	-57.3	-45	177.7	0	0	0	0	0	112.1	S91 A93	A89-S91 VanDerWaalsContact C-N 3.32Å; A89-S91 PolarHBondContact O-N 2.96Å; A89-A93 WeakPolarHBondContact O-CB 3.28Å; A89-A93 PolarHBondContact O-N 3.35Å
90	V	34.8	Very low	34.8	Very low	77 Å²	77	114.9 Å²	114.9	47%	0.467	63%	0.625	S	S	.	*	H	α-helix	trans	-69.4	-27.5	178.7	177.6	0	0	0	0	112.4	G86 L88 F94	G86-V90 WeakPolarHBondContact O-CG2 3.45Å; L88-V90 VanDerWaalsContact C-N 3.33Å; L88-V90 PolarHBondContact O-N 3.18Å; V90-F94 WeakPolarHBondContact O-CD2 3.48Å
91	S	35.2	Very low	34.8	Very low	81 Å²	81	118.7 Å²	118.7	57%	0.566	64%	0.641	S	S	*	*	H	α-helix	trans	-74.2	-39.3	178.3	-60.5	0	0	0	0	112.5	L87 L88 A89	L87-S91 PolarHBondContact O-N 3.43Å; L87-S91 PolarHBondContact O-OG 3.01Å; L88-S91 PolarHBondContact O-N 2.77Å; L88-S91 VanDerWaalsContact O-N 3.12Å; A89-S91 VanDerWaalsContact C-N 3.32Å; A89-S91 PolarHBondContact O-N 2.96Å
92	N	36.1	Very low	34.8	Very low	119 Å²	119	121.6 Å²	121.6	64%	0.636	66%	0.655	S	S	*	*	H	α-helix	trans	-79.5	-23.7	-179.1	-70.4	-13.5	0	0	0	113.2	L88 F94	L88-N92 PolarHBondContact O-N 3.38Å; N92-F94 PolarHBondContact O-N 2.89Å
93	A	37	Very low	34.9	Very low	78 Å²	78	119.1 Å²	119.1	65%	0.645	65%	0.653	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.7	-16.9	179	0	0	0	0	0	115	A89	A89-A93 WeakPolarHBondContact O-CB 3.28Å; A89-A93 PolarHBondContact O-N 3.35Å
94	F	34.4	Very low	35	Very low	181 Å²	181	122.7 Å²	122.7	79%	0.794	67%	0.669	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110.2	15.3	-175.2	-75.7	-87.1	0	0	0	114.4	V90 N92	V90-F94 WeakPolarHBondContact O-CD2 3.48Å; N92-F94 PolarHBondContact O-N 2.89Å
95	A	34.2	Very low	35.1	Very low	65 Å²	65	127.4 Å²	127.4	54%	0.537	69%	0.69	S	S	.	*	S	Bend	trans	-106.9	15.2	-171.2	0	0	0	0	0	115.9
96	H	31.8	Very low	35	Very low	177 Å²	177	128.5 Å²	128.5	82%	0.819	70%	0.701	S	S	*	*			trans	-136.7	96.9	176.8	-77.9	-62.5	0	0	0	113.9
97	P	35.7	Very low	35.2	Very low	122 Å²	122	133.9 Å²	133.9	79%	0.792	73%	0.728	S	S	*	*			trans	-72.9	121.2	146.9	31.1	-28.1	0	0	0	108.4
98	K	35.3	Very low	35	Very low	207 Å²	207	135.1 Å²	135.1	90%	0.9	74%	0.743	S	S	*	*			trans	-74.8	129.6	162.3	-71.4	-172.7	178	-175.8	0	108.1
99	E	36.3	Very low	35.1	Very low	201 Å²	201	138.3 Å²	138.3	94%	0.939	76%	0.759	S	S	*	*			trans	-126.7	142.7	161.4	-153.5	159.7	-129.3	0	0	108.1
100	E	33.2	Very low	34.9	Very low	176 Å²	176	144 Å²	144	82%	0.822	77%	0.774	S	S	*	*			trans	-127.7	111.5	-152.6	177.4	176.5	-146.8	0	0	110.4
101	L	38.5	Very low	34.9	Very low	178 Å²	178	143.6 Å²	143.6	93%	0.932	79%	0.786	S	S	*	*			trans	-139.8	135.8	174	-92.6	167.5	0	0	0	110.6
102	Q	36	Very low	35	Very low	178 Å²	178	145 Å²	145	83%	0.832	80%	0.795	S	S	*	*			trans	-86.9	155.1	-168.2	-77.5	-167.1	0.5	0	0	114.2
103	P	36.1	Very low	35	Very low	120 Å²	120	146.6 Å²	146.6	78%	0.779	80%	0.803	S	S	*	*			trans	-88	166.4	-173.6	36.6	-37.6	0	0	0	113.6
104	K	35.7	Very low	34.8	Very low	194 Å²	194	150 Å²	150	84%	0.843	81%	0.806	S	S	*	*			trans	-155	152.8	155.8	-119.5	172.2	-173.2	175.6	0	113.1
105	N	35.6	Very low	34.9	Very low	156 Å²	156	151.7 Å²	151.7	83%	0.834	81%	0.807	S	S	*	*			trans	75.2	117.6	166.1	-59	2.7	0	0	0	117.9
106	S	31.6	Very low	35.1	Very low	114 Å²	114	155.4 Å²	155.4	80%	0.797	82%	0.817	S	S	*	*			trans	-104.4	150.2	175.8	52.3	0	0	0	0	111.9
107	V	33.7	Very low	35.4	Very low	142 Å²	142	151.9 Å²	151.9	86%	0.861	81%	0.812	S	S	*	*			trans	-139.1	144.3	147.3	-179.1	0	0	0	0	107.8
108	S	30	Very low	35.5	Very low	105 Å²	105	157.8 Å²	157.8	73%	0.734	82%	0.819	S	S	*	*			trans	-121.5	143.4	172.2	179.4	0	0	0	0	109.4
109	I	39.5	Very low	35.5	Very low	166 Å²	166	151.5 Å²	151.5	85%	0.851	81%	0.813	S	S	*	*			trans	-138.8	134.6	160.4	-61.4	-176.1	0	0	0	107.2
110	E	32.3	Very low	35.5	Very low	187 Å²	187	147 Å²	147	87%	0.874	81%	0.81	S	S	*	*			trans	-129.8	150.7	-176.4	-177.7	176	-143.2	0	0	110.4
111	G	35.7	Very low	35.5	Very low	69 Å²	69	143.1 Å²	143.1	71%	0.711	81%	0.808	S	S	*	*			trans	104.3	168	171.2	0	0	0	0	0	115.7
112	S	35.7	Very low	35.9	Very low	110 Å²	110	140.4 Å²	140.4	77%	0.769	80%	0.801	S	S	*	*			cis	-167.8	165.9	-13.1	-142.9	0	0	0	0	111.2
113	L	36.1	Very low	36.6	Very low	153 Å²	153	137.6 Å²	137.6	80%	0.801	80%	0.798	S	S	*	*			trans	66.3	158.5	170.8	-58.1	162.3	0	0	0	115.8
114	Q	33.5	Very low	36.6	Very low	149 Å²	149	136.4 Å²	136.4	70%	0.696	80%	0.798	S	S	*	*			cis	160.5	159.6	-33.1	-108	-163.3	17.5	0	0	107.2
115	R	36.7	Very low	36.7	Very low	216 Å²	216	131.1 Å²	131.1	82%	0.815	79%	0.791	S	S	*	*			trans	71.6	142.5	166.2	-71.7	174.1	-174	-159.3	-1.6	116.1
116	L	38.7	Very low	36.9	Very low	143 Å²	143	129.3 Å²	129.3	75%	0.749	79%	0.79	S	S	*	*			cis	-139.2	144.7	-1.5	-89.3	131.5	0	0	0	108.2
117	S	37.4	Very low	37.2	Very low	103 Å²	103	128.6 Å²	128.6	72%	0.72	79%	0.785	S	S	*	*				54.5	142	89.4	-45.2	0	0	0	0	115.1
118	R	37.4	Very low	37.4	Very low	247 Å²	247	133.5 Å²	133.5	93%	0.932	79%	0.788	S	S	*	*			cis	-170.1	142.8	25.3	-158	-179.4	-171.3	178.5	1.5	114.1
119	G	35.2	Very low	37.6	Very low	75 Å²	75	137.7 Å²	137.7	77%	0.773	80%	0.796	S	S	*	*			trans	73.5	164.8	153.6	0	0	0	0	0	118.7
120	A	36.9	Very low	37.5	Very low	106 Å²	106	133.9 Å²	133.9	88%	0.876	79%	0.79	S	S	*	*			cis	-159.6	169.7	-13.5	0	0	0	0	0	110.3
121	A	33.4	Very low	37.7	Very low	95 Å²	95	133.6 Å²	133.6	79%	0.785	79%	0.789	S	S	*	*			trans	-140.8	-156.6	-169.4	0	0	0	0	0	114.6
122	P	47.6	Very low	37.6	Very low	121 Å²	121	134.6 Å²	134.6	79%	0.786	78%	0.784	S	S	*	*				-113.4	-156.3	-128.6	37.7	-14.5	0	0	0	112.4
123	P	50.1	Low	37.6	Very low	118 Å²	118	136.6 Å²	136.6	77%	0.766	79%	0.786	S	S	*	*			cis	-142.4	-143.2	5	45.5	-22.9	0	0	0	115.2
124	A	36	Very low	37.4	Very low	95 Å²	95	136.1 Å²	136.1	79%	0.785	79%	0.785	S	S	*	*			trans	83	149.4	161	0	0	0	0	0	119
125	A	38.6	Very low	37.6	Very low	84 Å²	84	136.9 Å²	136.9	69%	0.694	79%	0.792	S	S	*	*			cis	-169.8	165.8	-16.9	0	0	0	0	0	112.9
126	S	38.5	Very low	37.3	Very low	117 Å²	117	132.5 Å²	132.5	82%	0.818	79%	0.789	S	S	*	*			trans	68.6	159.5	154.5	78.7	0	0	0	0	119.1
127	S	38.3	Very low	37.4	Very low	99 Å²	99	131 Å²	131	69%	0.692	79%	0.788	S	S	*	*			cis	-175	156.8	-24.8	54.8	0	0	0	0	111.2
128	R	38.2	Very low	37.1	Very low	245 Å²	245	136.4 Å²	136.4	93%	0.925	80%	0.799	S	S	*	*			trans	170.5	167.6	132.6	-95.5	174.9	179.2	-158.5	-2.9	114.4
129	Q	34.1	Very low	36.7	Very low	193 Å²	193	128.7 Å²	128.7	90%	0.902	79%	0.788	S	S	*	*			trans	-132.3	155.8	-168.3	-57.5	155.3	-95.3	0	0	113.2
130	A	37.5	Very low	36.6	Very low	87 Å²	87	137.4 Å²	137.4	72%	0.719	80%	0.798	S	S	*	*			trans	-173	137.3	141.7	0	0	0	0	0	106.4
131	Q	36.2	Very low	36.3	Very low	181 Å²	181	139.4 Å²	139.4	85%	0.846	79%	0.794	S	S	*	*				57.4	128.2	57.3	-68.9	-176.9	-60.3	0	0	113
132	S	33.8	Very low	36.1	Very low	89 Å²	89	140.3 Å²	140.3	62%	0.622	79%	0.791	S	S	*	*			cis	-161	-165.7	-5.2	35.7	0	0	0	0	107.5
133	D	36.1	Very low	35.2	Very low	152 Å²	152	141.7 Å²	141.7	81%	0.813	79%	0.792	S	S	*	*			cis	-152.8	-165.2	20.5	-74.7	-82.3	0	0	0	111
134	D	31.4	Very low	34.2	Very low	144 Å²	144	142.1 Å²	142.1	77%	0.77	79%	0.792	S	S	*	*			trans	-73.7	161.5	-176.2	-89.4	-60	0	0	0	118
135	I	37	Very low	33.8	Very low	164 Å²	164	146.8 Å²	146.8	84%	0.841	80%	0.798	S	S	*	*				174.6	138	117.4	-87.4	158	0	0	0	111.9
136	T	31.2	Very low	33.2	Very low	124 Å²	124	147.8 Å²	147.8	76%	0.761	80%	0.8	S	S	*	*			trans	-130	-175	175.6	55.2	0	0	0	0	110.2
137	P	39.7	Very low	32.6	Very low	111 Å²	111	146.1 Å²	146.1	72%	0.721	79%	0.793	S	S	*	*				-124.1	173.2	-53.2	35.6	-22.6	0	0	0	112.2
138	K	32.4	Very low	32.1	Very low	217 Å²	217	152.2 Å²	152.2	94%	0.943	80%	0.801	S	S	*	*			trans	-167.5	157.9	145.7	-111.8	153.1	-173.2	170.7	0	114.4
139	A	29.4	Very low	31.6	Very low	85 Å²	85	152.4 Å²	152.4	70%	0.702	80%	0.802	S	S	*	*			trans	-87	162.6	-170.7	0	0	0	0	0	114.5
140	W	32	Very low	31.2	Very low	259 Å²	259	147.6 Å²	147.6	98%	0.981	79%	0.789	S	S	*	*			trans	-154.4	166.8	138.9	-97.5	-30.5	0	0	0	113.3
141	D	30.4	Very low	30.7	Very low	148 Å²	148	154.7 Å²	154.7	79%	0.791	80%	0.798	S	S	*	*			trans	-58	154.7	-161.4	-94.1	-60.2	0	0	0	118.2
142	P	30	Very low	30.2	Very low	114 Å²	114	151.5 Å²	151.5	74%	0.74	80%	0.795	S	S	*	*			trans	-91.7	103.6	169.6	35.2	-28.6	0	0	0	111.8
143	N	27.7	Very low	29.9	Very low	150 Å²	150	153.6 Å²	153.6	80%	0.802	80%	0.804	S	S	*	*			trans	-153.7	143.1	165.4	-125.3	-34	0	0	0	113.8
144	V	29.3	Very low	29.4	Very low	127 Å²	127	151.7 Å²	151.7	77%	0.77	80%	0.8	S	S	*	*			trans	43.9	104.4	166.3	-171.4	0	0	0	0	117.2
145	E	28.1	Very low	29.2	Very low	192 Å²	192	154.8 Å²	154.8	90%	0.897	81%	0.807	S	S	*	*				-157	151.4	127.9	-124.3	178.9	-155	0	0	114.8	A147	E145-A147 PolarHBondContact O-N 3.25Å
146	S	26.5	Very low	28.8	Very low	105 Å²	105	153.2 Å²	153.2	73%	0.734	80%	0.8	S	S	*	*			trans	-88.3	91.2	-175.8	55.9	0	0	0	0	111.8	R148	S146-R148 PolarHBondContact O-N 3.03Å
147	A	26.6	Very low	28.7	Very low	82 Å²	82	155.3 Å²	155.3	68%	0.678	81%	0.805	S	S	*	*			trans	-64.9	96.6	179.9	0	0	0	0	0	112.9	E145 W149	E145-A147 PolarHBondContact O-N 3.25Å; A147-W149 PolarHBondContact O-N 2.96Å
148	R	26.7	Very low	28.2	Very low	227 Å²	227	157.7 Å²	157.7	86%	0.857	81%	0.811	S	S	*	*			trans	-68.6	105.4	166.7	-73.2	176.5	171.1	172.6	-2.7	110.2	S146 S150	S146-R148 PolarHBondContact O-N 3.03Å; R148-S150 VanDerWaalsContact C-N 3.34Å; R148-S150 PolarHBondContact O-N 3.13Å
149	W	28.1	Very low	28.1	Very low	249 Å²	249	153.5 Å²	153.5	94%	0.943	81%	0.806	S	S	*	*			trans	-80	82.1	171.4	-81.8	71	0	0	0	111.4	A147	A147-W149 PolarHBondContact O-N 2.96Å
150	S	25.4	Very low	28.1	Very low	92 Å²	92	154.9 Å²	154.9	64%	0.643	81%	0.81	S	S	*	*			trans	-121.4	91.2	174.5	60.6	0	0	0	0	111.4	R148	R148-S150 VanDerWaalsContact C-N 3.34Å; R148-S150 PolarHBondContact O-N 3.13Å
151	R	27.5	Very low	28.2	Very low	237 Å²	237	146.7 Å²	146.7	89%	0.894	81%	0.807	S	S	*	*			trans	-167.4	125.9	157.1	-108.6	153	-160.7	-135.5	2.3	114.3
152	S	24.9	Very low	28.3	Very low	113 Å²	113	148 Å²	148	79%	0.79	81%	0.808	S	S	*	*			trans	42.4	104.8	144.6	57.6	0	0	0	0	120.7
153	V	27	Very low	28.7	Very low	134 Å²	134	151.8 Å²	151.8	81%	0.812	82%	0.815	S	S	*	*			trans	-123.7	138	142.8	179.2	0	0	0	0	105.8
154	P	27.2	Very low	29	Very low	111 Å²	111	149.7 Å²	149.7	72%	0.721	81%	0.813	S	S	*	*			trans	-74.1	154.3	-163	27.8	-35.9	0	0	0	114.8	L156	P154-L156 PolarHBondContact O-N 2.84Å
155	F	27.1	Very low	29.4	Very low	209 Å²	209	150.5 Å²	150.5	92%	0.917	81%	0.808	S	S	*	*			trans	-62.8	124.5	161.8	-84.4	-105	0	0	0	109.6
156	L	28.4	Very low	29.9	Very low	132 Å²	132	151 Å²	151	69%	0.691	80%	0.802	S	S	*	*			trans	-106.1	143.1	158.5	-79.3	172.7	0	0	0	109.9	P154 T893	P154-L156 PolarHBondContact O-N 2.84Å; L156-T893 WeakPolarHBondContact CD1-OG1 2.94Å
157	L	27.7	Very low	30.5	Very low	168 Å²	168	151.5 Å²	151.5	88%	0.88	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-79.9	143.5	-168	-73.1	146.6	0	0	0	111.9
158	L	29.2	Very low	31.2	Very low	161 Å²	161	150.4 Å²	150.4	84%	0.843	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-62.4	136.8	163.5	-71.8	165	0	0	0	109.7	S160	L158-S160 PolarHBondContact O-N 3.42Å
159	P	31.8	Very low	32	Very low	128 Å²	128	148.6 Å²	148.6	83%	0.831	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-63.8	119.4	168.5	-19.6	32	0	0	0	110.4	G161	P159-G161 PolarHBondContact O-N 3.46Å
160	S	28.5	Very low	32.6	Very low	114 Å²	114	144.6 Å²	144.6	80%	0.797	80%	0.795	S	S	*	*			trans	-77.8	99.8	177.6	54.8	0	0	0	0	111.1	L158 H162	L158-S160 PolarHBondContact O-N 3.42Å; S160-H162 PolarHBondContact O-N 3.38Å
161	G	33.4	Very low	33.4	Very low	88 Å²	88	146.7 Å²	146.7	91%	0.907	80%	0.799	S	S	*	*			trans	-81.1	88.6	170	0	0	0	0	0	111.3	P159	P159-G161 PolarHBondContact O-N 3.46Å
162	H	32.6	Very low	34	Very low	175 Å²	175	140.6 Å²	140.6	81%	0.81	79%	0.788	S	S	*	*			trans	-126.4	100.4	176.6	-148.9	-36.8	0	0	0	109.2	S160	S160-H162 PolarHBondContact O-N 3.38Å
163	E	38.5	Very low	34.7	Very low	194 Å²	194	140.1 Å²	140.1	91%	0.907	78%	0.784	S	S	*	*			trans	-103.1	155.9	161.2	-68.7	-164.9	144	0	0	109
164	S	33.9	Very low	35.2	Very low	106 Å²	106	139.2 Å²	139.2	74%	0.741	78%	0.779	S	S	*	*			trans	-140.5	145	-168.8	174.9	0	0	0	0	108.9
165	E	38.1	Very low	35.7	Very low	143 Å²	143	139.5 Å²	139.5	67%	0.668	78%	0.779	S	S	*	*			trans	-167.1	133.6	132.5	-112.7	-175	-156.8	0	0	113.1
166	R	39.1	Very low	36.1	Very low	204 Å²	204	135 Å²	135	77%	0.77	77%	0.769	S	S	*	*			trans	68.7	148	155.7	-55.8	171.6	-153.7	-122.2	-4.4	119
167	S	39.3	Very low	36.3	Very low	114 Å²	114	133.8 Å²	133.8	80%	0.797	77%	0.772	S	S	*	*			cis	-176.5	144.7	-25.7	49.8	0	0	0	0	110.2
168	G	41.8	Very low	36.5	Very low	60 Å²	60	130.4 Å²	130.4	62%	0.619	76%	0.762	S	S	*	*			trans	99.2	123.7	177.8	0	0	0	0	0	112.5
169	E	41.7	Very low	36.7	Very low	188 Å²	188	128.2 Å²	128.2	88%	0.879	76%	0.755	S	S	*	*				74.5	126.5	57.9	-67.1	170.6	159.5	0	0	111.3
170	E	41.4	Very low	36.7	Very low	166 Å²	166	129.4 Å²	129.4	78%	0.776	75%	0.754	S	S	*	*			cis	-151	155	15.9	-117.6	169	-178.4	0	0	111.5
171	D	41.6	Very low	36.7	Very low	136 Å²	136	128.7 Å²	128.7	73%	0.727	75%	0.749	S	S	*	*			trans	43.6	151.5	141.9	-74	13.2	0	0	0	124.1
172	T	40.9	Very low	36.5	Very low	109 Å²	109	129.8 Å²	129.8	67%	0.669	74%	0.743	S	S	*	*			cis	-160.1	143.4	-1.7	9.8	0	0	0	0	112.8
173	S	39.5	Very low	36.4	Very low	102 Å²	102	126.1 Å²	126.1	71%	0.713	74%	0.737	S	S	*	*			trans	56	156.4	139.1	83.4	0	0	0	0	122.1
174	T	38.3	Very low	36	Very low	115 Å²	115	124.2 Å²	124.2	71%	0.706	73%	0.732	S	S	*	*			cis	-162	153.3	-2.5	-4.4	0	0	0	0	112.3
175	T	36.3	Very low	36	Very low	117 Å²	117	130.5 Å²	130.5	72%	0.718	74%	0.74	S	S	*	*			trans	21.6	155.2	143.6	50.8	0	0	0	0	124.5
176	T	35.3	Very low	35.8	Very low	116 Å²	116	130.5 Å²	130.5	71%	0.712	75%	0.749	S	S	*	*			cis	-178.8	160.6	-25.7	28.6	0	0	0	0	108.8
177	S	32.9	Very low	35.4	Very low	106 Å²	106	123.8 Å²	123.8	74%	0.741	74%	0.744	S	S	*	*			trans	59.8	151.5	147.9	53.6	0	0	0	0	121.7
178	S	33.5	Very low	35.2	Very low	97 Å²	97	126 Å²	126	68%	0.678	75%	0.746	S	S	*	*			cis	-170.7	170.7	-17.5	57.7	0	0	0	0	112.8
179	T	32.1	Very low	34.9	Very low	114 Å²	114	129.1 Å²	129.1	70%	0.699	75%	0.753	S	S	*	*			trans	66.1	112.3	146.4	45.1	0	0	0	0	124.2
180	L	31.3	Very low	34.6	Very low	154 Å²	154	125.8 Å²	125.8	81%	0.806	75%	0.747	S	S	*	*				87.1	123.3	121.1	-67.3	171.9	0	0	0	124.9
181	S	29.1	Very low	34.4	Very low	99 Å²	99	127.1 Å²	127.1	69%	0.692	75%	0.75	S	S	*	*				91.6	102.3	127.3	-68.2	0	0	0	0	124.8
182	S	30	Very low	34	Very low	110 Å²	110	130 Å²	130	77%	0.769	76%	0.757	S	S	*	*				104.5	141	112	79.4	0	0	0	0	123.6
183	S	30	Very low	33.7	Very low	98 Å²	98	128.4 Å²	128.4	69%	0.685	75%	0.754	S	S	*	*			trans	83.8	106.9	141.5	-67.3	0	0	0	0	125.2
184	L	30.7	Very low	33.5	Very low	155 Å²	155	130.4 Å²	130.4	81%	0.812	76%	0.755	S	S	*	*				63.5	119.9	121.3	-63.3	169.3	0	0	0	123.2
185	R	33.3	Very low	33.1	Very low	237 Å²	237	131.7 Å²	131.7	89%	0.894	76%	0.758	S	S	*	*				170.6	125.2	120.9	-91.8	162.1	-168.6	-153.9	3.7	110.8
186	V	32.8	Very low	32.9	Very low	144 Å²	144	130.8 Å²	130.8	87%	0.873	76%	0.756	S	S	*	*				98.3	132.9	72	162.8	0	0	0	0	113.8
187	G	31.5	Very low	32.8	Very low	63 Å²	63	130.4 Å²	130.4	65%	0.649	76%	0.759	S	S	*	*			trans	131.4	106.5	177.3	0	0	0	0	0	112.6
188	L	35	Very low	32.5	Very low	161 Å²	161	130.4 Å²	130.4	84%	0.843	76%	0.757	S	S	*	*				67.7	130.6	65.4	-56.8	172.8	0	0	0	113.3
189	T	34.8	Very low	32.4	Very low	125 Å²	125	129.1 Å²	129.1	77%	0.767	76%	0.76	S	S	*	*			cis	-161.6	164.9	-4.5	7.8	0	0	0	0	111.1
190	P	37.3	Very low	32.3	Very low	117 Å²	117	131 Å²	131	76%	0.76	75%	0.754	S	S	*	*			trans	-116.1	170.1	-172	41.8	-33.4	0	0	0	116.7
191	K	35.9	Very low	32.3	Very low	194 Å²	194	127.2 Å²	127.2	84%	0.843	73%	0.734	S	S	*	*			trans	-166	134.7	162.1	-115.5	167.7	-174.7	173.2	0	115.3
192	K	34.4	Very low	32.4	Very low	198 Å²	198	127.9 Å²	127.9	86%	0.861	73%	0.733	S	S	*	*			trans	42.7	151.2	140.7	-71.1	-165.7	172.1	-169.1	0	122.5
193	A	33.5	Very low	32.5	Very low	75 Å²	75	126.7 Å²	126.7	62%	0.62	73%	0.731	S	S	*	*			cis	-176.2	174.9	-14.1	0	0	0	0	0	112.4
194	I	35.2	Very low	32.6	Very low	143 Å²	143	132.9 Å²	132.9	73%	0.733	74%	0.739	S	S	*	*			trans	80.6	112.8	148.3	-76.1	157.4	0	0	0	120.3
195	D	30.3	Very low	32.7	Very low	143 Å²	143	134.5 Å²	134.5	77%	0.765	74%	0.742	S	S	*	*				54.3	155	127.4	-50.9	-13.7	0	0	0	122.4
196	S	31.8	Very low	32.6	Very low	97 Å²	97	129 Å²	129	68%	0.678	73%	0.73	S	S	*	*			cis	-170.7	164.9	-14.7	52.1	0	0	0	0	111.7
197	S	32.6	Very low	32.6	Very low	109 Å²	109	129.8 Å²	129.8	76%	0.762	73%	0.73	S	S	*	*			trans	59.5	163.8	160.7	74.3	0	0	0	0	118.8
198	C	28.2	Very low	32.8	Very low	106 Å²	106	130.5 Å²	130.5	72%	0.716	73%	0.73	S	S	*	*			cis	90	116.8	8.2	-151	0	0	0	0	115.9	R200	C198-R200 VanDerWaalsContact SG-CD 3.58Å
199	G	30.1	Very low	32.6	Very low	70 Å²	70	129.8 Å²	129.8	72%	0.722	73%	0.727	S	S	*	*			cis	-178.6	-160.9	9.5	0	0	0	0	0	115.8
200	R	31.4	Very low	32.5	Very low	154 Å²	154	133.1 Å²	133.1	58%	0.581	73%	0.731	S	S	*	*			cis	169.1	143.5	-9.7	-98.7	178.3	157.6	-138.1	-3.9	114.3	C198 S445 S446	C198-R200 VanDerWaalsContact SG-CD 3.58Å; R200-S445 WeakPolarHBondContact CD-O 3.46Å; R200-S445 PolarHBondContact NH1-O 2.95Å; R200-S446 VanDerWaalsContact C-CB 3.42Å; R200-S446 CarbonylContact C-O 3.05Å; R200-S446 WeakPolarHBondContact CA-O 3.45Å; R200-S446 WeakPolarHBondContact CB-O 3.43Å; R200-S446 WeakPolarHBondContact CB-OG 3.5Å; R200-S446 WeakPolarHBondContact CG-O 3.45Å; R200-S446 PolarHBondContact O-OG 3.38Å
201	L	29.6	Very low	32.2	Very low	73 Å²	73	138 Å²	138	38%	0.382	73%	0.734	S	S	.	*			trans	-16.2	161.7	-176.1	82	44.1	0	0	0	123.9	S446 N447	L201-S446 VanDerWaalsContact CG-C 3.46Å; L201-S446 VanDerWaalsContact N-C 3.33Å; L201-S446 PolarHBondContact N-O 2.94Å; L201-S446 PolarHBondContact N-OG 3.36Å; L201-S446 VanDerWaalsContact O-CB 3.28Å; L201-S446 WeakPolarHBondContact O-CB 3.47Å; L201-S446 PolarHBondContact O-OG 3Å; L201-N447 WeakPolarHBondContact CA-O 3.15Å; L201-N447 VanDerWaalsContact CB-O 3.22Å; L201-N447 WeakPolarHBondContact CB-O 3.43Å; L201-N447 HydrophobicContact CD2-CB 3.88Å; L201-N447 HydrophobicContact CG-CB 4.35Å; L201-N447 VanDerWaalsContact CG-N 3.33Å; L201-N447 PolarHBondContact N-O 2.9Å
202	V	32.8	Very low	32	Very low	113 Å²	113	132.1 Å²	132.1	69%	0.685	73%	0.729	S	S	*	*			cis	-164.1	166.6	20.9	66.8	0	0	0	0	116.6
203	A	31.5	Very low	31.9	Very low	86 Å²	86	130.4 Å²	130.4	71%	0.711	72%	0.724	S	S	*	*			trans	-138.3	142.8	137.7	0	0	0	0	0	108.4
204	R	31.8	Very low	31.9	Very low	227 Å²	227	138.2 Å²	138.2	86%	0.857	74%	0.737	S	S	*	*			cis	69.7	116	47.9	-98.9	-163.5	177.7	-157.7	-0.5	114.8
205	Q	32.6	Very low	31.9	Very low	189 Å²	189	140.2 Å²	140.2	88%	0.883	74%	0.741	S	S	*	*			trans	-158.9	165.3	151.4	-158.8	161.5	12.9	0	0	109.5
206	D	32.2	Very low	31.8	Very low	121 Å²	121	139.4 Å²	139.4	65%	0.647	74%	0.74	S	S	*	*			trans	-128.5	172.8	-152.3	-47.2	-89.4	0	0	0	114.7
207	D	32.8	Very low	31.8	Very low	162 Å²	162	143.6 Å²	143.6	87%	0.866	74%	0.741	S	S	*	*			trans	85.9	153.3	140.3	-98.5	-33.3	0	0	0	126.2
208	A	34.4	Very low	31.5	Very low	78 Å²	78	144.2 Å²	144.2	65%	0.645	74%	0.741	S	S	*	*			trans	89.3	84.8	148.1	0	0	0	0	0	124.5
209	N	32.4	Very low	31.6	Very low	145 Å²	145	147.8 Å²	147.8	78%	0.775	74%	0.74	S	S	*	*				73.4	158.2	113.1	-73.9	-51.4	0	0	0	125.4
210	F	32.1	Very low	31.6	Very low	196 Å²	196	151.7 Å²	151.7	86%	0.86	74%	0.744	S	S	*	*			trans	90.1	144.9	167.3	-73.4	-88.8	0	0	0	120.2
211	R	31.3	Very low	31.5	Very low	220 Å²	220	155.7 Å²	155.7	83%	0.83	76%	0.76	S	S	*	*				174.4	121.2	-62.8	173.1	-173	-130.7	-119.3	8	111
212	G	32.3	Very low	31.7	Very low	70 Å²	70	156.4 Å²	156.4	72%	0.722	78%	0.776	S	S	*	*			trans	129.8	160.9	157.7	0	0	0	0	0	115.4
213	Q	32.2	Very low	31.9	Very low	162 Å²	162	155 Å²	155	76%	0.757	77%	0.771	S	S	*	*			cis	171.6	138.7	-27.1	-120.3	-158.6	19.4	0	0	107.5
214	R	33.1	Very low	32.1	Very low	238 Å²	238	154.4 Å²	154.4	90%	0.898	76%	0.762	S	S	*	*			trans	119.2	147.5	158.6	-68.3	166.1	-178.5	-159.5	1.4	115.2
215	K	35	Very low	32.6	Very low	186 Å²	186	152 Å²	152	81%	0.809	76%	0.758	S	S	*	*			cis	-178.4	150.6	-37	-127.6	-172.8	176.8	-177.8	0	110
216	V	28.5	Very low	33.1	Very low	125 Å²	125	147.3 Å²	147.3	76%	0.758	74%	0.739	S	S	*	*			trans	69.8	147.8	154.6	166.8	0	0	0	0	115.9
217	R	30.6	Very low	33.5	Very low	186 Å²	186	147.5 Å²	147.5	70%	0.702	74%	0.738	S	S	*	*			cis	-140.7	-173.1	1	-147.8	-175.1	176.2	102.3	5	111.2	Y219	R217-Y219 PolarHBondContact NE-OH 3.04Å; R217-Y219 PolarHBondContact NH2-OH 3.44Å
218	T	27.6	Very low	34.8	Very low	122 Å²	122	144.3 Å²	144.3	75%	0.748	72%	0.721	S	S	*	*			trans	-144.3	161.9	174.8	43.8	0	0	0	0	111.4
219	Y	29.5	Very low	36.4	Very low	181 Å²	181	145.1 Å²	145.1	71%	0.71	71%	0.714	S	S	*	*			trans	-177.3	167.4	155.7	-76.1	-50.4	0	0	0	109.2	R217	R217-Y219 PolarHBondContact NE-OH 3.04Å; R217-Y219 PolarHBondContact NH2-OH 3.44Å
220	D	30.6	Very low	37.4	Very low	151 Å²	151	143.6 Å²	143.6	81%	0.807	70%	0.701	S	S	*	*				-152.6	-175.9	-60.9	-142.2	-41.4	0	0	0	110.3
221	R	29.5	Very low	38.3	Very low	239 Å²	239	138.6 Å²	138.6	90%	0.902	68%	0.683	S	S	*	*			trans	-128.9	145.9	-158.3	-174	-176.9	-175.5	-174.2	2.3	115.9
222	A	33.8	Very low	40.1	Very low	87 Å²	87	135.4 Å²	135.4	72%	0.719	68%	0.675	S	S	*	*			trans	-140.1	171.6	169.3	0	0	0	0	0	113.3
223	S	35.6	Very low	41.5	Very low	83 Å²	83	138.4 Å²	138.4	58%	0.58	67%	0.67	S	S	*	*			trans	-96.4	-179.8	-162.2	56	0	0	0	0	116.5	Q327	S223-Q327 WeakPolarHBondContact O-CG 3.37Å; S223-Q327 PolarHBondContact O-NE2 2.97Å; S223-Q327 PolarHBondContact O-OE1 2.89Å; S223-Q327 PolarHBondContact OG-NE2 3.17Å
224	S	36.6	Very low	41.9	Very low	75 Å²	75	137 Å²	137	52%	0.524	66%	0.662	S	S	.	*			trans	-149.2	161.8	169.6	71.6	0	0	0	0	112	S329	S224-S329 VanDerWaalsContact CB-CB 3.45Å
225	K	42.1	Very low	43.6	Very low	177 Å²	177	131.9 Å²	131.9	77%	0.77	65%	0.646	S	S	*	*			trans	-71.2	165.2	-168.6	-62	-178.2	-180	-180	0	115.1
226	N	42.8	Very low	45.2	Very low	90 Å²	90	130.5 Å²	130.5	48%	0.481	64%	0.64	S	S	.	*			trans	-56.1	151.6	-179.5	-168.8	19.9	0	0	0	113.4	D228	N226-D228 PolarHBondContact ND2-OD2 3.24Å
227	I	40	Very low	46.7	Very low	125 Å²	125	129.2 Å²	129.2	64%	0.641	63%	0.629	S	S	*	*	H	α-helix	trans	-74.9	-35.8	-178.8	-76.4	173.2	0	0	0	112.1	D229 K230 L231	I227-D229 VanDerWaalsContact C-N 3.29Å; I227-D229 PolarHBondContact O-N 3.33Å; I227-K230 PolarHBondContact O-N 3.38Å; I227-L231 PolarHBondContact O-N 3.08Å
228	D	60.3	Low	47.3	Very low	94 Å²	94	124.3 Å²	124.3	50%	0.503	62%	0.616	S	S	.	*	H	α-helix	trans	-60.2	-36	-173.7	-61.6	-56.4	0	0	0	113.6	N226 L231 K232	N226-D228 PolarHBondContact ND2-OD2 3.24Å; D228-L231 PolarHBondContact O-N 3.02Å; D228-K232 PolarHBondContact O-N 3.2Å
229	D	68	Low	48.8	Very low	95 Å²	95	127.7 Å²	127.7	51%	0.508	62%	0.615	S	S	.	*	H	α-helix	trans	-67.2	-44.8	179	-61.8	-44.6	0	0	0	111.2	I227 L231 K232 E233	I227-D229 VanDerWaalsContact C-N 3.29Å; I227-D229 PolarHBondContact O-N 3.33Å; D229-L231 VanDerWaalsContact C-N 3.27Å; D229-L231 PolarHBondContact O-N 2.7Å; D229-K232 WeakPolarHBondContact O-CB 3.16Å; D229-K232 PolarHBondContact O-N 2.85Å; D229-E233 PolarHBondContact O-N 3.26Å
230	K	54.9	Low	50.2	Low	113 Å²	113	122.8 Å²	122.8	49%	0.491	61%	0.607	S	S	.	*	H	α-helix	trans	-63.9	-34	174.2	-66.4	-174.8	176.6	-178.8	0	111.8	I227 F234	I227-K230 PolarHBondContact O-N 3.38Å; K230-F234 WeakPolarHBondContact O-CB 3.43Å; K230-F234 PolarHBondContact O-N 3.42Å
231	L	49.1	Very low	50.7	Low	91 Å²	91	122.6 Å²	122.6	48%	0.476	60%	0.603	S	S	.	*	H	α-helix	trans	-71.8	-32.8	177.1	-151.1	79.5	0	0	0	112.4	I227 D228 D229 K235	I227-L231 PolarHBondContact O-N 3.08Å; D228-L231 PolarHBondContact O-N 3.02Å; D229-L231 VanDerWaalsContact C-N 3.27Å; D229-L231 PolarHBondContact O-N 2.7Å; L231-K235 WeakPolarHBondContact O-CB 3.39Å; L231-K235 WeakPolarHBondContact O-CG 3.37Å; L231-K235 PolarHBondContact O-N 3.07Å
232	K	70.5	Confident	51.5	Low	154 Å²	154	117.7 Å²	117.7	67%	0.67	60%	0.595	S	S	*	*	H	α-helix	trans	-67.5	-44.9	170.7	-85.3	176.2	176.2	169.5	0	112.1	D228 D229 K235 K236	D228-K232 PolarHBondContact O-N 3.2Å; D229-K232 WeakPolarHBondContact O-CB 3.16Å; D229-K232 PolarHBondContact O-N 2.85Å; K232-K235 PolarHBondContact O-N 3.3Å; K232-K236 PolarHBondContact O-N 2.78Å
233	E	60.6	Low	52	Low	132 Å²	132	121.9 Å²	121.9	62%	0.617	60%	0.6	S	S	*	*	H	α-helix	trans	-62.2	-51.4	-179.5	-165.8	162.9	-131.9	0	0	110.9	D229 K235 K236 D237	D229-E233 PolarHBondContact O-N 3.26Å; E233-K235 VanDerWaalsContact C-N 3.31Å; E233-K235 PolarHBondContact O-N 3.34Å; E233-K236 WeakPolarHBondContact O-CA 3.33Å; E233-K236 WeakPolarHBondContact O-CB 3.49Å; E233-K236 PolarHBondContact O-N 3.19Å; E233-D237 PolarHBondContact O-N 3.04Å
234	F	42.2	Very low	52.1	Low	133 Å²	133	122.3 Å²	122.3	58%	0.583	60%	0.603	S	S	*	*	H	α-helix	trans	-61.4	-34.7	176.5	-172.8	-112	0	0	0	113.6	K230 K236 L238	K230-F234 WeakPolarHBondContact O-CB 3.43Å; K230-F234 PolarHBondContact O-N 3.42Å; F234-K236 PolarHBondContact O-N 2.83Å; F234-L238 HydrophobicContact CD1-CD1 4.03Å; F234-L238 HydrophobicContact CE1-CD1 3.5Å; F234-L238 VanDerWaalsContact CE1-CD1 3.5Å; F234-L238 HydrophobicContact CE2-CD1 4.49Å; F234-L238 HydrophobicContact CZ-CD1 3.76Å; F234-L238 HydrophobicContact CZ-CG 4.41Å; F234-L238 PolarHBondContact O-N 3.49Å
235	K	68.5	Low	52	Low	130 Å²	130	124.9 Å²	124.9	57%	0.565	62%	0.621	S	S	*	*	H	α-helix	trans	-70.5	-12.5	172.7	-84	-177.4	175.3	178.5	0	114.1	L231 K232 E233 R239	L231-K235 WeakPolarHBondContact O-CB 3.39Å; L231-K235 WeakPolarHBondContact O-CG 3.37Å; L231-K235 PolarHBondContact O-N 3.07Å; K232-K235 PolarHBondContact O-N 3.3Å; E233-K235 VanDerWaalsContact C-N 3.31Å; E233-K235 PolarHBondContact O-N 3.34Å; K235-R239 WeakPolarHBondContact O-CG 3.37Å
236	K	68.8	Low	51.6	Low	158 Å²	158	120.7 Å²	120.7	69%	0.687	62%	0.619	S	S	*	*	H	α-helix	trans	-86.4	-50.3	174.3	-155.3	179.8	-177.8	-172.4	0	109.9	K232 E233 F234 L238 R239 S240	K232-K236 PolarHBondContact O-N 2.78Å; E233-K236 WeakPolarHBondContact O-CA 3.33Å; E233-K236 WeakPolarHBondContact O-CB 3.49Å; E233-K236 PolarHBondContact O-N 3.19Å; F234-K236 PolarHBondContact O-N 2.83Å; K236-L238 VanDerWaalsContact C-N 3.34Å; K236-L238 PolarHBondContact O-N 3.42Å; K236-R239 WeakPolarHBondContact O-CB 3.15Å; K236-R239 PolarHBondContact O-N 3.38Å; K236-S240 PolarHBondContact O-N 3.36Å; K236-S240 PolarHBondContact O-OG 3.43Å
237	D	59.3	Low	51.3	Low	97 Å²	97	123.3 Å²	123.3	52%	0.519	64%	0.639	S	S	.	*	H	α-helix	trans	-58.9	-42.3	-179.5	-67.8	-5.2	0	0	0	112.6	E233 R239 S240 M241	E233-D237 PolarHBondContact O-N 3.04Å; D237-R239 PolarHBondContact O-N 3Å; D237-S240 WeakPolarHBondContact CA-OG 3.43Å; D237-S240 PolarHBondContact O-N 3.14Å; D237-S240 PolarHBondContact O-OG 3.5Å; D237-M241 PolarHBondContact O-N 2.68Å; D237-M241 VanDerWaalsContact O-N 3.12Å
238	L	42.9	Very low	51.1	Low	84 Å²	84	121.5 Å²	121.5	44%	0.44	64%	0.637	S	S	.	*	H	α-helix	trans	-62.1	-21.8	175.8	-96.6	167.9	0	0	0	114.2	F234 K236	F234-L238 HydrophobicContact CD1-CD1 4.03Å; F234-L238 HydrophobicContact CE1-CD1 3.5Å; F234-L238 VanDerWaalsContact CE1-CD1 3.5Å; F234-L238 HydrophobicContact CE2-CD1 4.49Å; F234-L238 HydrophobicContact CZ-CD1 3.76Å; F234-L238 HydrophobicContact CZ-CG 4.41Å; F234-L238 PolarHBondContact O-N 3.49Å; K236-L238 VanDerWaalsContact C-N 3.34Å; K236-L238 PolarHBondContact O-N 3.42Å
239	R	59.7	Low	49.9	Very low	192 Å²	192	127.9 Å²	127.9	73%	0.725	65%	0.654	S	S	*	*	H	α-helix	trans	-82.9	-38	174.5	-66.1	-178.3	-171	-141.3	-0.2	111.9	K235 K236 D237 M241	K235-R239 WeakPolarHBondContact O-CG 3.37Å; K236-R239 WeakPolarHBondContact O-CB 3.15Å; K236-R239 PolarHBondContact O-N 3.38Å; D237-R239 PolarHBondContact O-N 3Å; R239-M241 VanDerWaalsContact C-N 3.35Å
240	S	58.1	Low	48.5	Very low	78 Å²	78	132.3 Å²	132.3	55%	0.545	67%	0.669	S	S	.	*	H	α-helix	trans	-66.2	-33.9	175.9	30	0	0	0	0	113.1	K236 D237 N242	K236-S240 PolarHBondContact O-N 3.36Å; K236-S240 PolarHBondContact O-OG 3.43Å; D237-S240 WeakPolarHBondContact CA-OG 3.43Å; D237-S240 PolarHBondContact O-N 3.14Å; D237-S240 PolarHBondContact O-OG 3.5Å; S240-N242 VanDerWaalsContact C-N 3.28Å; S240-N242 PolarHBondContact O-N 3.1Å
241	M	40.4	Very low	47.5	Very low	147 Å²	147	131.2 Å²	131.2	72%	0.724	68%	0.681	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.8	-13.1	-174.4	-143.5	175.2	77.9	0	0	114.6	D237 R239	D237-M241 PolarHBondContact O-N 2.68Å; D237-M241 VanDerWaalsContact O-N 3.12Å; R239-M241 VanDerWaalsContact C-N 3.35Å
242	N	46.7	Very low	47	Very low	137 Å²	137	138.6 Å²	138.6	73%	0.733	70%	0.703	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.8	10.7	-176.1	-82.9	4.1	0	0	0	114.6	S240	S240-N242 VanDerWaalsContact C-N 3.28Å; S240-N242 PolarHBondContact O-N 3.1Å
243	Q	45.1	Very low	45.4	Very low	174 Å²	174	137.1 Å²	137.1	81%	0.813	71%	0.709	S	S	*	*	S	Bend	trans	-110.9	10.8	-173.7	-68	-165.9	-21.2	0	0	115.6
244	S	37.5	Very low	44.1	Very low	93 Å²	93	134.3 Å²	134.3	65%	0.65	72%	0.715	S	S	*	*			trans	-143.7	84.1	-172.2	59.6	0	0	0	0	115
245	S	35.2	Very low	43.6	Very low	129 Å²	129	133.6 Å²	133.6	90%	0.902	73%	0.726	S	S	*	*			trans	173.6	119.6	140.4	-80.3	0	0	0	0	111.6
246	A	33.6	Very low	41.9	Very low	88 Å²	88	133.5 Å²	133.5	73%	0.727	74%	0.737	S	S	*	*			trans	-151.3	164.4	170.8	0	0	0	0	0	110.6
247	T	36.2	Very low	40.1	Very low	145 Å²	145	132.2 Å²	132.2	89%	0.89	74%	0.741	S	S	*	*			trans	75.8	150.2	179.9	77.8	0	0	0	0	116.5
248	S	34.8	Very low	38.8	Very low	87 Å²	87	133.7 Å²	133.7	61%	0.608	75%	0.754	S	S	*	*			cis	-174.9	121.9	-24.3	174.1	0	0	0	0	113.5
249	R	36.7	Very low	38.4	Very low	229 Å²	229	135.7 Å²	135.7	86%	0.864	77%	0.772	S	S	*	*			trans	65.9	168.5	153.8	-60.9	169.5	176	173.5	-3.1	116.7
250	K	37.1	Very low	36.9	Very low	187 Å²	187	135.5 Å²	135.5	81%	0.813	78%	0.782	S	S	*	*			cis	-162.4	142.5	7.7	-145.5	176.7	-178.2	-175.6	0	112.8
251	A	34.8	Very low	35.5	Very low	91 Å²	91	136.4 Å²	136.4	75%	0.752	79%	0.794	S	S	*	*			trans	49.3	157.4	145.3	0	0	0	0	0	122.7
252	R	37.5	Very low	35	Very low	246 Å²	246	134.1 Å²	134.1	93%	0.928	80%	0.799	S	S	*	*			cis	-156.4	174.1	-8.2	-119.5	-157.3	163.1	171.7	-5.2	109.9
253	P	38.6	Very low	34.2	Very low	123 Å²	123	135.9 Å²	135.9	80%	0.799	81%	0.806	S	S	*	*			trans	-122	-169.9	-157.6	46.5	-39.6	0	0	0	117.6
254	G	33.5	Very low	33.5	Very low	72 Å²	72	131.4 Å²	131.4	74%	0.742	80%	0.799	S	S	*	*			trans	-160.4	140.3	161	0	0	0	0	0	115.5
255	S	30.8	Very low	33.1	Very low	118 Å²	118	136 Å²	136	83%	0.825	81%	0.81	S	S	*	*			trans	17.2	141.1	162.2	-122.4	0	0	0	0	121.6
256	V	33.5	Very low	32.9	Very low	129 Å²	129	137.1 Å²	137.1	78%	0.782	80%	0.801	S	S	*	*			cis	-149.7	148.8	40	172	0	0	0	0	113.3
257	V	30.1	Very low	32.7	Very low	130 Å²	130	140.4 Å²	140.4	79%	0.788	81%	0.806	S	S	*	*			trans	-20.4	124	172	-173.1	0	0	0	0	120.9
258	T	32.4	Very low	32.5	Very low	128 Å²	128	140.9 Å²	140.9	79%	0.785	80%	0.798	S	S	*	*			trans	-159.6	160.5	131	2.8	0	0	0	0	108
259	P	33.8	Very low	32.2	Very low	126 Å²	126	143.8 Å²	143.8	82%	0.818	81%	0.806	S	S	*	*			trans	-75	144.4	-152.5	26.6	-34.6	0	0	0	117.3
260	M	28.9	Very low	32.2	Very low	188 Å²	188	137.1 Å²	137.1	93%	0.926	80%	0.8	S	S	*	*			trans	-70.5	173.4	164	-62.6	174.8	148.2	0	0	111.1
261	A	29.3	Very low	32.4	Very low	98 Å²	98	138 Å²	138	81%	0.81	80%	0.804	S	S	*	*			cis	-147.9	176.3	4.4	0	0	0	0	0	108.6
262	A	29.6	Very low	32.6	Very low	99 Å²	99	136.3 Å²	136.3	82%	0.818	79%	0.787	S	S	*	*			cis	-139.5	177.8	12.9	0	0	0	0	0	112.7
263	I	29.2	Very low	32.9	Very low	174 Å²	174	126.1 Å²	126.1	89%	0.892	75%	0.75	S	S	*	*			trans	-139.7	124.4	-171.2	-57.4	166.8	0	0	0	109.4
264	A	30	Very low	32.9	Very low	79 Å²	79	125.5 Å²	125.5	65%	0.653	74%	0.737	S	S	*	*			trans	170.8	143.3	141.6	0	0	0	0	0	111.8
265	E	30.1	Very low	33.4	Very low	191 Å²	191	122.2 Å²	122.2	89%	0.893	70%	0.702	S	S	*	*			trans	60.5	159.7	161.3	-70.2	149.5	-158	0	0	116.4
266	E	29.9	Very low	33.8	Very low	151 Å²	151	122.7 Å²	122.7	71%	0.706	69%	0.694	S	S	*	*			cis	-140.7	168.1	1.8	-154.6	-178.4	-153.9	0	0	111.1	H268	E266-H268 IonicContact OE2-CD2 3.59Å; E266-H268 IonicContact OE2-NE2 3.99Å
267	N	30	Very low	33.9	Very low	157 Å²	157	117.3 Å²	117.3	84%	0.84	66%	0.664	S	S	*	*			trans	-108.4	88.1	-171.4	-85.9	-75.3	0	0	0	115
268	H	32.7	Very low	34.2	Very low	155 Å²	155	119.6 Å²	119.6	72%	0.718	67%	0.672	S	S	*	*			trans	-135.7	42.9	-178.2	-77.2	-45.5	0	0	0	118.1	E266 A270	E266-H268 IonicContact OE2-CD2 3.59Å; E266-H268 IonicContact OE2-NE2 3.99Å; H268-A270 PolarHBondContact O-N 3.48Å; H268-A270 VanDerWaalsContact O-N 3.16Å
269	L	28.7	Very low	34.5	Very low	149 Å²	149	117.2 Å²	117.2	78%	0.78	67%	0.673	S	S	*	*			trans	-85.5	64.6	176.7	-82.8	169.6	0	0	0	115.4
270	A	36.5	Very low	34.6	Very low	89 Å²	89	114 Å²	114	74%	0.736	66%	0.663	S	S	*	*			trans	-161.3	56.6	170.1	0	0	0	0	0	116.2	H268 S272	H268-A270 PolarHBondContact O-N 3.48Å; H268-A270 VanDerWaalsContact O-N 3.16Å; A270-S272 PolarHBondContact O-N 2.81Å
271	K	39.9	Very low	34.9	Very low	204 Å²	204	114.5 Å²	114.5	89%	0.887	65%	0.654	S	S	*	*			trans	-76.7	85.1	173.6	-80.9	-179.4	178.1	169.3	0	112.5
272	S	40.5	Very low	35.3	Very low	56 Å²	56	113.6 Å²	113.6	39%	0.392	64%	0.639	S	S	.	*	P	Polyproline II helix	trans	-68.2	137.7	163.9	62.8	0	0	0	0	110.7	A270 H284	A270-S272 PolarHBondContact O-N 2.81Å; S272-H284 WeakPolarHBondContact CB-CE1 3.33Å; S272-H284 PolarHBondContact OG-CE1 3.15Å; S272-H284 PolarHBondContact OG-NE2 3.12Å
273	I	42.6	Very low	35.8	Very low	33 Å²	33	111.1 Å²	111.1	17%	0.169	61%	0.613	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-98	126.8	179.1	-53.8	175.5	0	0	0	109.4	L275 H284 V285 L287 K847 L850	I273-L275 HydrophobicContact CG2-CD2 3.53Å; I273-L275 HydrophobicContact CG2-CG 4.27Å; I273-H284 CarbonylContact O-C 3.5Å; I273-H284 WeakPolarHBondContact O-CA 3.36Å; I273-H284 PolarHBondContact O-CE1 2.65Å; I273-V285 PolarHBondContact N-O 2.95Å; I273-V285 VanDerWaalsContact N-O 3.15Å; I273-V285 PolarHBondContact O-N 3.09Å; I273-L287 HydrophobicContact CD1-CD1 4.49Å; I273-K847 HydrophobicContact CD1-CG 3.95Å; I273-L850 HydrophobicContact CG2-CD1 4.35Å
274	E	39.7	Very low	36.4	Very low	109 Å²	109	108.5 Å²	108.5	51%	0.509	60%	0.597	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-84.7	127.5	163.6	-72.9	-167.3	154.4	0	0	110	T282 H284	E274-T282 HydrophobicContact CB-CG2 4.44Å; E274-H284 WeakPolarHBondContact CG-NE2 3.41Å; E274-H284 IonicContact OE1-NE2 3.55Å
275	L	43.3	Very low	37	Very low	3 Å²	3	105 Å²	105	2%	0.016	57%	0.567	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-112.8	107.7	176.1	-52.8	176.8	0	0	0	108.7	I273 G277 T282 V283 V285 L342 L345 V846 L850	I273-L275 HydrophobicContact CG2-CD2 3.53Å; I273-L275 HydrophobicContact CG2-CG 4.27Å; L275-G277 PolarHBondContact O-N 2.81Å; L275-T282 CarbonylContact O-C 3.46Å; L275-T282 WeakPolarHBondContact O-CA 3.42Å; L275-V283 HydrophobicContact CB-CB 4.38Å; L275-V283 PolarHBondContact N-O 2.85Å; L275-V283 PolarHBondContact O-N 2.95Å; L275-V285 HydrophobicContact CD1-CB 4.39Å; L275-V285 HydrophobicContact CD1-CG2 3.42Å; L275-V285 VanDerWaalsContact CD1-CG2 3.42Å; L275-V285 HydrophobicContact CG-CG2 4.12Å; L275-L342 HydrophobicContact CD1-CD1 4.48Å; L275-L345 HydrophobicContact CB-CD2 4.2Å; L275-L345 HydrophobicContact CD1-CD2 3.63Å; L275-L345 HydrophobicContact CG-CD2 4.43Å; L275-V846 HydrophobicContact CD2-CG1 4.47Å; L275-L850 HydrophobicContact CD2-CD1 3.56Å; L275-L850 HydrophobicContact CD2-CD2 3.95Å; L275-L850 HydrophobicContact CD2-CG 4.22Å
276	I	39.5	Very low	37.8	Very low	129 Å²	129	98.9 Å²	98.9	66%	0.662	54%	0.541	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.5	105.1	172.4	-55.7	174.1	0	0	0	107.7	T282	I276-T282 HydrophobicContact CG1-CG2 3.78Å
277	G	35	Very low	38.4	Very low	15 Å²	15	92.2 Å²	92.2	16%	0.155	51%	0.51	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	158.9	171.8	0	0	0	0	0	112.3	L275 G279 G280 R281	L275-G277 PolarHBondContact O-N 2.81Å; G277-G279 PolarHBondContact O-N 3.03Å; G277-G280 PolarHBondContact O-N 3.36Å; G277-R281 PolarHBondContact N-O 3.09Å; G277-R281 PolarHBondContact O-N 3.32Å
278	D	36.5	Very low	39.1	Very low	179 Å²	179	89.2 Å²	89.2	96%	0.957	49%	0.488	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.5	131	172.4	-72.4	-48.1	0	0	0	111.1
279	G	39.8	Very low	39.5	Very low	77 Å²	77	91 Å²	91	79%	0.794	49%	0.488	S	S	*	.	T	Hydrogen-bonded Turn	trans	88.7	12.3	-166	0	0	0	0	0	114.9	G277 R281	G277-G279 PolarHBondContact O-N 3.03Å; G279-R281 VanDerWaalsContact C-N 3.34Å; G279-R281 PolarHBondContact O-N 2.96Å
280	G	35.5	Very low	39.8	Very low	59 Å²	59	88.8 Å²	88.8	61%	0.608	47%	0.473	S	S	*	.	T	Hydrogen-bonded Turn	trans	75	15.3	166.4	0	0	0	0	0	115.6	G277 T282	G277-G280 PolarHBondContact O-N 3.36Å; G280-T282 PolarHBondContact O-N 3.32Å
281	R	35.7	Very low	39.9	Very low	199 Å²	199	87.2 Å²	87.2	75%	0.751	46%	0.455	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.7	111.9	-179.8	-64.8	-176.8	-176.7	176.1	2.7	110.2	G277 G279 V283	G277-R281 PolarHBondContact N-O 3.09Å; G277-R281 PolarHBondContact O-N 3.32Å; G279-R281 VanDerWaalsContact C-N 3.34Å; G279-R281 PolarHBondContact O-N 2.96Å; R281-V283 PolarHBondContact O-N 2.92Å
282	T	37.5	Very low	39.7	Very low	79 Å²	79	81.7 Å²	81.7	49%	0.485	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	125.1	166.9	36	0	0	0	0	110.7	E274 L275 I276 G280	E274-T282 HydrophobicContact CB-CG2 4.44Å; L275-T282 CarbonylContact O-C 3.46Å; L275-T282 WeakPolarHBondContact O-CA 3.42Å; I276-T282 HydrophobicContact CG1-CG2 3.78Å; G280-T282 PolarHBondContact O-N 3.32Å
283	V	40	Very low	39.3	Very low	46 Å²	46	81.8 Å²	81.8	28%	0.279	45%	0.451	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	107.6	171.6	-179.4	0	0	0	0	107.8	L275 R281 V285 N341	L275-V283 HydrophobicContact CB-CB 4.38Å; L275-V283 PolarHBondContact N-O 2.85Å; L275-V283 PolarHBondContact O-N 2.95Å; R281-V283 PolarHBondContact O-N 2.92Å; V283-V285 HydrophobicContact CG1-CG2 4.05Å; V283-N341 HydrophobicContact CG1-CB 4.12Å
284	H	41.2	Very low	38.7	Very low	120 Å²	120	91.2 Å²	91.2	56%	0.556	49%	0.485	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.6	130.5	167.7	-90.9	-72.7	0	0	0	110.3	S272 I273 E274	S272-H284 WeakPolarHBondContact CB-CE1 3.33Å; S272-H284 PolarHBondContact OG-CE1 3.15Å; S272-H284 PolarHBondContact OG-NE2 3.12Å; I273-H284 CarbonylContact O-C 3.5Å; I273-H284 WeakPolarHBondContact O-CA 3.36Å; I273-H284 PolarHBondContact O-CE1 2.65Å; E274-H284 WeakPolarHBondContact CG-NE2 3.41Å; E274-H284 IonicContact OE1-NE2 3.55Å
285	V	42.9	Very low	38.4	Very low	4 Å²	4	90.9 Å²	90.9	2%	0.024	49%	0.492	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	108.8	172.2	-165.5	0	0	0	0	109.4	I273 L275 V283 L287 P338	I273-V285 PolarHBondContact N-O 2.95Å; I273-V285 VanDerWaalsContact N-O 3.15Å; I273-V285 PolarHBondContact O-N 3.09Å; L275-V285 HydrophobicContact CD1-CB 4.39Å; L275-V285 HydrophobicContact CD1-CG2 3.42Å; L275-V285 VanDerWaalsContact CD1-CG2 3.42Å; L275-V285 HydrophobicContact CG-CG2 4.12Å; V283-V285 HydrophobicContact CG1-CG2 4.05Å; V285-L287 HydrophobicContact CG1-CD2 3.51Å; V285-L287 HydrophobicContact CG1-CG 3.77Å; V285-P338 HydrophobicContact CG1-CB 3.6Å
286	D	46	Very low	37.9	Very low	64 Å²	64	96.6 Å²	96.6	34%	0.342	53%	0.527	S	S	.	.			trans	-92	106.9	165.5	177.5	-10.4	0	0	0	107.7	Y288 R289	D286-Y288 PolarHBondContact OD1-N 3.41Å; D286-R289 PolarHBondContact OD1-N 3.35Å; D286-R289 WeakPolarHBondContact OD2-CB 3.45Å; D286-R289 VanDerWaalsContact OD2-CD 3.25Å; D286-R289 WeakPolarHBondContact OD2-CD 3.35Å; D286-R289 VanDerWaalsContact OD2-CG 3.3Å; D286-R289 WeakPolarHBondContact OD2-CG 3.44Å
287	L	44	Very low	37.8	Very low	11 Å²	11	96.8 Å²	96.8	6%	0.058	54%	0.535	C	S	.	.			trans	-89.2	-19.8	-176.2	-67.5	169.5	0	0	0	112.8	I273 V285 P338 F339 C843	I273-L287 HydrophobicContact CD1-CD1 4.49Å; V285-L287 HydrophobicContact CG1-CD2 3.51Å; V285-L287 HydrophobicContact CG1-CG 3.77Å; L287-P338 HydrophobicContact CD2-CB 4.41Å; L287-F339 HydrophobicContact CD2-CE1 4.13Å; L287-F339 HydrophobicContact CD2-CZ 4.08Å; L287-C843 VanDerWaalsContact CB-SG 3.59Å; L287-C843 HydrophobicContact CD1-CB 4.07Å; L287-C843 WeakPolarHBondContact CD1-SG 3.39Å
288	Y	43.1	Very low	37.7	Very low	93 Å²	93	102.9 Å²	102.9	37%	0.365	56%	0.564	S	S	.	*	S	Bend	trans	-90	-31.7	-173	-89.1	-94.4	0	0	0	113.3	F83 D286 H290 V291 A292	F83-Y288 WeakPolarHBondContact CE1-OH 3.47Å; F83-Y288 HydrophobicContact CZ-CE2 4.4Å; D286-Y288 PolarHBondContact OD1-N 3.41Å; Y288-H290 PolarHBondContact O-N 2.85Å; Y288-V291 PolarHBondContact O-N 3.33Å; Y288-V291 VanDerWaalsContact O-N 3.08Å; Y288-A292 PolarHBondContact O-N 3.36Å
289	R	42.1	Very low	37.7	Very low	193 Å²	193	105.9 Å²	105.9	73%	0.728	56%	0.562	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.2	-12.4	-178.5	-101.7	-168.6	171	151.7	-3.6	116.1	D286 A293	D286-R289 PolarHBondContact OD1-N 3.35Å; D286-R289 WeakPolarHBondContact OD2-CB 3.45Å; D286-R289 VanDerWaalsContact OD2-CD 3.25Å; D286-R289 WeakPolarHBondContact OD2-CD 3.35Å; D286-R289 VanDerWaalsContact OD2-CG 3.3Å; D286-R289 WeakPolarHBondContact OD2-CG 3.44Å; R289-A293 WeakPolarHBondContact O-CB 3.2Å
290	H	35.6	Very low	37.6	Very low	102 Å²	102	112 Å²	112	47%	0.472	57%	0.567	S	S	.	*	T	Hydrogen-bonded Turn	trans	-93.6	-18.4	174	-94.2	-5.2	0	0	0	114.6	Y288	Y288-H290 PolarHBondContact O-N 2.85Å
291	V	38.6	Very low	37.5	Very low	57 Å²	57	112.5 Å²	112.5	35%	0.345	57%	0.572	S	S	.	*	T	Hydrogen-bonded Turn	trans	-88.7	-40.8	175.4	-173.1	0	0	0	0	110.8	Y288 A293 N836 V839	Y288-V291 PolarHBondContact O-N 3.33Å; Y288-V291 VanDerWaalsContact O-N 3.08Å; V291-A293 VanDerWaalsContact C-N 3.26Å; V291-A293 PolarHBondContact O-N 2.9Å; V291-N836 WeakPolarHBondContact CG1-OD1 3.26Å; V291-V839 HydrophobicContact CG2-CB 4.22Å; V291-V839 HydrophobicContact CG2-CG1 3.92Å; V291-V839 HydrophobicContact CG2-CG2 3.85Å
292	A	34	Very low	37.4	Very low	87 Å²	87	106.6 Å²	106.6	72%	0.719	57%	0.572	S	S	*	*	S	Bend	trans	-75.3	-10.7	178.6	0	0	0	0	0	114.2	Y288 R294	Y288-A292 PolarHBondContact O-N 3.36Å; A292-R294 VanDerWaalsContact C-N 3.3Å; A292-R294 PolarHBondContact O-N 2.96Å
293	A	32	Very low	37.3	Very low	59 Å²	59	110.2 Å²	110.2	49%	0.488	59%	0.589	S	S	.	*			trans	-80.2	68.9	-175.9	0	0	0	0	0	113.4	R289 V291 P295	R289-A293 WeakPolarHBondContact O-CB 3.2Å; V291-A293 VanDerWaalsContact C-N 3.26Å; V291-A293 PolarHBondContact O-N 2.9Å; A293-P295 WeakPolarHBondContact O-CD 3.36Å
294	R	31.4	Very low	37.1	Very low	230 Å²	230	113 Å²	113	87%	0.868	62%	0.616	S	S	*	*			trans	-56.8	122.3	146.1	-96.6	-175.1	168	-178.6	-3.3	107.1	A292 T296	A292-R294 VanDerWaalsContact C-N 3.3Å; A292-R294 PolarHBondContact O-N 2.96Å; R294-T296 PolarHBondContact O-N 3.06Å; R294-T296 VanDerWaalsContact O-N 3.13Å
295	P	31.8	Very low	37.1	Very low	103 Å²	103	113.2 Å²	113.2	67%	0.669	63%	0.627	S	S	*	*			trans	-65.3	117.1	173.8	26.5	-32	0	0	0	108.2	A293 T297	A293-P295 WeakPolarHBondContact O-CD 3.36Å; P295-T297 PolarHBondContact O-N 3.15Å; P295-T297 VanDerWaalsContact O-N 3.1Å
296	T	33.8	Very low	36.9	Very low	122 Å²	122	118.9 Å²	118.9	75%	0.748	66%	0.661	S	S	*	*			trans	-63.4	114.4	174.3	39.8	0	0	0	0	108.8	R294 N298	R294-T296 PolarHBondContact O-N 3.06Å; R294-T296 VanDerWaalsContact O-N 3.13Å; T296-N298 VanDerWaalsContact C-N 3.28Å; T296-N298 PolarHBondContact O-N 3.28Å
297	T	36.3	Very low	36.7	Very low	133 Å²	133	125.2 Å²	125.2	82%	0.816	69%	0.686	S	S	*	*			trans	-70.6	87.3	176.3	39.2	0	0	0	0	109	P295 R299	P295-T297 PolarHBondContact O-N 3.15Å; P295-T297 VanDerWaalsContact O-N 3.1Å; T297-R299 PolarHBondContact O-N 3.27Å
298	N	34.7	Very low	36.4	Very low	144 Å²	144	131.7 Å²	131.7	77%	0.77	72%	0.716	S	S	*	*			trans	-63.8	77.9	175.6	-91	-17.4	0	0	0	111	T296 K300	T296-N298 VanDerWaalsContact C-N 3.28Å; T296-N298 PolarHBondContact O-N 3.28Å; N298-K300 VanDerWaalsContact C-N 3.28Å; N298-K300 PolarHBondContact O-N 3.48Å
299	R	36.6	Very low	36.2	Very low	242 Å²	242	135.3 Å²	135.3	91%	0.913	73%	0.733	S	S	*	*			trans	-60.7	92.1	159.9	-91.9	-174.6	164.8	-177.5	-3.1	107.8	T297 G301	T297-R299 PolarHBondContact O-N 3.27Å; R299-G301 PolarHBondContact O-N 3.07Å
300	K	36.3	Very low	36	Very low	206 Å²	206	131.3 Å²	131.3	90%	0.896	74%	0.735	S	S	*	*			trans	-66.7	82.1	163.4	-86	-167.3	172.2	-174.2	0	109.2	N298 G302	N298-K300 VanDerWaalsContact C-N 3.28Å; N298-K300 PolarHBondContact O-N 3.48Å; K300-G302 VanDerWaalsContact C-N 3.3Å; K300-G302 PolarHBondContact O-N 2.77Å
301	G	33.4	Very low	36.3	Very low	69 Å²	69	137.1 Å²	137.1	71%	0.711	75%	0.753	S	S	*	*			trans	-69.8	85.8	165.7	0	0	0	0	0	110	R299 N303	R299-G301 PolarHBondContact O-N 3.07Å; G301-N303 PolarHBondContact O-N 3.24Å
302	G	33.1	Very low	36.3	Very low	74 Å²	74	144.1 Å²	144.1	76%	0.763	78%	0.778	S	S	*	*			trans	-82	84.3	176.2	0	0	0	0	0	111.7	K300 A304	K300-G302 VanDerWaalsContact C-N 3.3Å; K300-G302 PolarHBondContact O-N 2.77Å; G302-A304 PolarHBondContact O-N 3.33Å
303	N	37.1	Very low	36.5	Very low	155 Å²	155	143 Å²	143	83%	0.829	78%	0.775	S	S	*	*	P	Polyproline II helix	trans	-68.9	120.2	170.8	-77.7	-7	0	0	0	110.2	G301	G301-N303 PolarHBondContact O-N 3.24Å
304	A	35.5	Very low	37	Very low	104 Å²	104	148.4 Å²	148.4	86%	0.86	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-77.7	126.2	173.7	0	0	0	0	0	110.4	G302	G302-A304 PolarHBondContact O-N 3.33Å
305	T	41.2	Very low	37.4	Very low	126 Å²	126	143.6 Å²	143.6	77%	0.773	78%	0.778	S	S	*	*	P	Polyproline II helix	trans	-101.8	125	-177.2	42.8	0	0	0	0	112.4
306	T	39.1	Very low	37.8	Very low	122 Å²	122	144.9 Å²	144.9	75%	0.748	78%	0.775	S	S	*	*			trans	9	153.2	146.8	51.1	0	0	0	0	122.3
307	K	40.3	Very low	38.2	Very low	198 Å²	198	146.1 Å²	146.1	86%	0.861	77%	0.772	S	S	*	*			trans	88.2	114.4	174.4	-55.8	179.2	179	-178.9	0	113
308	E	38.5	Very low	38.3	Very low	147 Å²	147	146.5 Å²	146.5	69%	0.687	77%	0.765	S	S	*	*			cis	96.7	111.4	37.9	-171.5	164.6	-155.3	0	0	114.1
309	K	38.9	Very low	38.6	Very low	168 Å²	168	146.9 Å²	146.9	73%	0.73	76%	0.762	S	S	*	*			trans	33.6	108.3	155.6	-58.5	163.3	-169.3	152.6	0	118.7
310	S	38.3	Very low	38.7	Very low	109 Å²	109	143.5 Å²	143.5	76%	0.762	76%	0.756	S	S	*	*				164.9	136.5	100.8	-76	0	0	0	0	116.9
311	R	40.8	Very low	38.7	Very low	225 Å²	225	138.2 Å²	138.2	85%	0.849	75%	0.745	S	S	*	*			trans	48.9	118.4	140.3	-70	-179	164	-177.4	-3.3	123.3
312	K	39.9	Very low	38.8	Very low	203 Å²	203	140.7 Å²	140.7	88%	0.883	75%	0.747	S	S	*	*			trans	75.6	150	130.9	-66.6	-171.3	171.9	-166.3	0	121.1
313	G	37.4	Very low	38.9	Very low	63 Å²	63	146.9 Å²	146.9	65%	0.649	75%	0.752	S	S	*	*			trans	101.6	120.2	-179.3	0	0	0	0	0	111.5
314	Q	42.1	Very low	38.6	Very low	173 Å²	173	142.8 Å²	142.8	81%	0.808	75%	0.746	S	S	*	*			cis	63.2	130.8	33.8	-62.3	-179.7	-75.3	0	0	113.6
315	Q	41.1	Very low	38.4	Very low	130 Å²	130	144.6 Å²	144.6	61%	0.607	75%	0.747	S	S	*	*			cis	-162	154.1	-4	-127.2	166.4	-46.9	0	0	112.5
316	Q	40.5	Very low	38.1	Very low	130 Å²	130	144.7 Å²	144.7	61%	0.607	75%	0.747	S	S	*	*			trans	54.9	129.9	142.4	-78.6	162.7	-18.8	0	0	124.2
317	Q	41.2	Very low	37.8	Very low	148 Å²	148	143 Å²	143	69%	0.692	73%	0.73	S	S	*	*				67.2	160.2	128	-65.6	169.7	-11.1	0	0	119.1
318	Q	39.3	Very low	37.4	Very low	141 Å²	141	142.2 Å²	142.2	66%	0.659	73%	0.73	S	S	*	*			cis	-148.8	142	-0.5	-132.2	157.8	8	0	0	112.4
319	Q	40	Very low	37.2	Very low	152 Å²	152	138.2 Å²	138.2	71%	0.71	72%	0.718	S	S	*	*			trans	21.5	148.6	133.8	-57.7	174.1	-17.6	0	0	123.9
320	H	38.7	Very low	36.7	Very low	171 Å²	171	133.8 Å²	133.8	79%	0.792	72%	0.72	S	S	*	*			trans	117.4	112.5	155.1	-66.7	-74.6	0	0	0	113.5
321	S	35.8	Very low	36.1	Very low	95 Å²	95	133.6 Å²	133.6	66%	0.664	73%	0.725	S	S	*	*			cis	93.5	96.5	40.6	-172.8	0	0	0	0	113.6
322	T	35.9	Very low	35.6	Very low	121 Å²	121	128.3 Å²	128.3	74%	0.742	72%	0.723	S	S	*	*				177.8	146.3	113.6	29.7	0	0	0	0	113.8
323	K	35.2	Very low	35.4	Very low	204 Å²	204	122.8 Å²	122.8	89%	0.887	71%	0.71	S	S	*	*			trans	36.5	106.8	147.9	-59.7	175.3	-180	177.1	0	119.5
324	G	31.6	Very low	35.1	Very low	68 Å²	68	125.1 Å²	125.1	70%	0.701	71%	0.707	S	S	*	*			trans	-179.4	108.9	161.5	0	0	0	0	0	114.8	V326	G324-V326 PolarHBondContact O-N 3.23Å
325	V	30.8	Very low	34.8	Very low	143 Å²	143	128.7 Å²	128.7	87%	0.867	71%	0.713	S	S	*	*			trans	-21.4	112.1	175.4	-176.5	0	0	0	0	115.9
326	V	33.9	Very low	34.8	Very low	127 Å²	127	127.5 Å²	127.5	77%	0.77	70%	0.703	S	S	*	*			trans	-94.8	128.2	167.5	179.1	0	0	0	0	109.4	G324 E328	G324-V326 PolarHBondContact O-N 3.23Å; V326-E328 HydrophobicContact CG1-CG 4.41Å
327	Q	33.6	Very low	35.1	Very low	87 Å²	87	123.8 Å²	123.8	41%	0.407	69%	0.688	S	S	.	*			trans	-121.2	95.8	-177.3	-178.9	171.3	76.9	0	0	110.4	S223 S329	S223-Q327 WeakPolarHBondContact O-CG 3.37Å; S223-Q327 PolarHBondContact O-NE2 2.97Å; S223-Q327 PolarHBondContact O-OE1 2.89Å; S223-Q327 PolarHBondContact OG-NE2 3.17Å; Q327-S329 PolarHBondContact O-N 3.01Å; Q327-S329 VanDerWaalsContact O-N 3.08Å
328	E	32	Very low	35.3	Very low	182 Å²	182	117.7 Å²	117.7	85%	0.85	66%	0.661	S	S	*	*			trans	-76.3	91.1	178.8	-65.3	-169	142.9	0	0	111.6	V326 G330	V326-E328 HydrophobicContact CG1-CG 4.41Å; E328-G330 PolarHBondContact O-N 3.43Å
329	S	33.9	Very low	35.8	Very low	62 Å²	62	111.3 Å²	111.3	43%	0.434	63%	0.631	S	S	.	*			trans	-75.2	87.2	171.3	67.2	0	0	0	0	110.8	S224 Q327	S224-S329 VanDerWaalsContact CB-CB 3.45Å; Q327-S329 PolarHBondContact O-N 3.01Å; Q327-S329 VanDerWaalsContact O-N 3.08Å
330	G	28.8	Very low	36.2	Very low	76 Å²	76	108.3 Å²	108.3	78%	0.784	61%	0.613	S	S	*	*			trans	-56.9	138.6	-173.2	0	0	0	0	0	115.2	E328	E328-G330 PolarHBondContact O-N 3.43Å
331	A	26.2	Very low	36.7	Very low	105 Å²	105	102.6 Å²	102.6	87%	0.868	59%	0.588	S	S	*	*			trans	-119.2	41.6	-172	0	0	0	0	0	113.8
332	S	30.2	Very low	37.4	Very low	114 Å²	114	98.2 Å²	98.2	80%	0.797	56%	0.557	S	S	*	*			trans	-154.2	96.9	179	59.8	0	0	0	0	114.6
333	S	34.6	Very low	38.1	Very low	87 Å²	87	94.3 Å²	94.3	61%	0.608	53%	0.529	S	S	*	.	S	Bend	trans	-174.7	-26.8	151.2	55	0	0	0	0	113.4	R335	S333-R335 PolarHBondContact O-N 3.2Å
334	D	31.4	Very low	38.9	Very low	111 Å²	111	90.8 Å²	90.8	59%	0.594	51%	0.51	S	S	*	.			trans	-80.2	25.3	-169.7	-97.5	-57.7	0	0	0	116.3	R336	D334-R336 PolarHBondContact O-N 3.39Å; D334-R336 WeakPolarHBondContact OD1-CD 3.39Å; D334-R336 IonicContact OD1-CZ 2.82Å; D334-R336 IonicContact OD1-NE 2.95Å; D334-R336 PolarHBondContact OD1-NE 3.24Å; D334-R336 IonicContact OD1-NH1 2.96Å; D334-R336 PolarHBondContact OD1-NH1 3.11Å; D334-R336 IonicContact OD2-CZ 3.19Å; D334-R336 IonicContact OD2-NH1 2.71Å; D334-R336 PolarHBondContact OD2-NH1 3.07Å
335	R	36	Very low	39.8	Very low	248 Å²	248	91.5 Å²	91.5	94%	0.936	50%	0.498	S	S	*	.			trans	-73.1	44.9	156.2	-70.2	-171.1	176.8	-171.7	0.2	110.7	S333 N337	S333-R335 PolarHBondContact O-N 3.2Å; R335-N337 PolarHBondContact O-N 3.09Å
336	R	42	Very low	40.6	Very low	106 Å²	106	86.1 Å²	86.1	40%	0.4	46%	0.464	S	S	.	.			trans	-78.7	90.7	-173.8	-76.6	-175.3	-177.6	131.9	-5.3	110.5	D334	D334-R336 PolarHBondContact O-N 3.39Å; D334-R336 WeakPolarHBondContact OD1-CD 3.39Å; D334-R336 IonicContact OD1-CZ 2.82Å; D334-R336 IonicContact OD1-NE 2.95Å; D334-R336 PolarHBondContact OD1-NE 3.24Å; D334-R336 IonicContact OD1-NH1 2.96Å; D334-R336 PolarHBondContact OD1-NH1 3.11Å; D334-R336 IonicContact OD2-CZ 3.19Å; D334-R336 IonicContact OD2-NH1 2.71Å; D334-R336 PolarHBondContact OD2-NH1 3.07Å
337	N	47	Very low	41	Very low	52 Å²	52	83.5 Å²	83.5	28%	0.278	46%	0.462	S	S	.	.			trans	27.2	105.4	150.9	-175.8	-15.3	0	0	0	114.8	R335 F339 R340	R335-N337 PolarHBondContact O-N 3.09Å; N337-F339 PolarHBondContact O-N 3.43Å; N337-F339 WeakPolarHBondContact OD1-CB 3.35Å; N337-F339 WeakPolarHBondContact OD1-CD2 3.48Å; N337-F339 PolarHBondContact OD1-N 2.91Å; N337-F339 VanDerWaalsContact OD1-N 3.09Å; N337-R340 WeakPolarHBondContact O-CA 3.22Å; N337-R340 VanDerWaalsContact O-CB 3.24Å; N337-R340 WeakPolarHBondContact O-CB 3.13Å; N337-R340 PolarHBondContact O-N 2.99Å
338	P	43.7	Very low	41.5	Very low	20 Å²	20	81.2 Å²	81.2	13%	0.13	45%	0.453	C	S	.	.	H	α-helix	trans	-54.1	-30.6	-176.6	21	-32.6	0	0	0	113.9	V285 L287 R340 N341 L342	V285-P338 HydrophobicContact CG1-CB 3.6Å; L287-P338 HydrophobicContact CD2-CB 4.41Å; P338-R340 PolarHBondContact O-N 3.35Å; P338-N341 PolarHBondContact O-N 2.96Å; P338-L342 PolarHBondContact O-N 2.86Å
339	F	50.6	Low	41.8	Very low	7 Å²	7	76 Å²	76	3%	0.031	44%	0.436	C	S	.	.	H	α-helix	trans	-66.8	-21.9	176.3	-58.4	-77.7	0	0	0	113.2	L287 N337 R343 Y503 L842	L287-F339 HydrophobicContact CD2-CE1 4.13Å; L287-F339 HydrophobicContact CD2-CZ 4.08Å; N337-F339 PolarHBondContact O-N 3.43Å; N337-F339 WeakPolarHBondContact OD1-CB 3.35Å; N337-F339 WeakPolarHBondContact OD1-CD2 3.48Å; N337-F339 PolarHBondContact OD1-N 2.91Å; N337-F339 VanDerWaalsContact OD1-N 3.09Å; F339-R343 VanDerWaalsContact O-CB 3.3Å; F339-R343 WeakPolarHBondContact O-CB 3.4Å; F339-R343 VanDerWaalsContact O-CG 3.31Å; F339-R343 WeakPolarHBondContact O-CG 3.47Å; F339-R343 PolarHBondContact O-N 3.2Å; F339-Y503 HydrophobicContact CD2-CE1 4.2Å; F339-Y503 HydrophobicContact CE1-CD1 4.18Å; F339-Y503 HydrophobicContact CE1-CE1 4.06Å; F339-Y503 HydrophobicContact CE2-CD1 4.49Å; F339-Y503 AromaticContact CE2-CE1 3.65Å; F339-Y503 HydrophobicContact CE2-CE1 3.65Å; F339-Y503 HydrophobicContact CZ-CD1 4.16Å; F339-Y503 AromaticContact CZ-CE1 3.58Å; F339-Y503 HydrophobicContact CZ-CE1 3.58Å; F339-L842 HydrophobicContact CE1-CD1 4.12Å
340	R	48.2	Very low	42.4	Very low	89 Å²	89	75.4 Å²	75.4	34%	0.336	43%	0.43	S	S	.	.	H	α-helix	trans	-70.4	-36.1	169.1	-165.8	176.8	-171.5	172.1	6.4	112	N337 P338 R344 T350	N337-R340 WeakPolarHBondContact O-CA 3.22Å; N337-R340 VanDerWaalsContact O-CB 3.24Å; N337-R340 WeakPolarHBondContact O-CB 3.13Å; N337-R340 PolarHBondContact O-N 2.99Å; P338-R340 PolarHBondContact O-N 3.35Å; R340-R344 WeakPolarHBondContact O-CG 3.24Å; R340-R344 PolarHBondContact O-N 3.13Å; R340-R344 VanDerWaalsContact O-N 3.13Å; R340-T350 HydrophobicContact CG-CG2 3.52Å; R340-T350 PolarHBondContact NE-OG1 3.02Å; R340-T350 PolarHBondContact NH2-OG1 2.89Å
341	N	49.5	Very low	42.7	Very low	50 Å²	50	74.4 Å²	74.4	27%	0.267	42%	0.42	S	S	.	.	H	α-helix	trans	-75.5	-38.1	174.7	-70.6	-15.3	0	0	0	111.1	V283 P338 R344 L345	V283-N341 HydrophobicContact CG1-CB 4.12Å; P338-N341 PolarHBondContact O-N 2.96Å; N341-R344 WeakPolarHBondContact O-CB 3.48Å; N341-R344 PolarHBondContact O-N 3.49Å; N341-R344 PolarHBondContact OD1-NH1 3.23Å; N341-L345 PolarHBondContact O-N 3.34Å
342	L	50.7	Low	43.2	Very low	4 Å²	4	72 Å²	72	2%	0.021	40%	0.4	C	S	.	.	H	α-helix	trans	-61.2	-47.3	172.6	-154.9	86.4	0	0	0	111.7	L275 P338 R344 L345 L346 T506 V846	L275-L342 HydrophobicContact CD1-CD1 4.48Å; P338-L342 PolarHBondContact O-N 2.86Å; L342-R344 VanDerWaalsContact C-N 3.34Å; L342-R344 PolarHBondContact O-N 3.02Å; L342-L345 WeakPolarHBondContact O-CB 3.49Å; L342-L345 PolarHBondContact O-N 3.46Å; L342-L345 VanDerWaalsContact O-N 3.16Å; L342-L346 HydrophobicContact CD2-CD1 4.34Å; L342-L346 HydrophobicContact CG-CD1 4.42Å; L342-L346 WeakPolarHBondContact O-CG 3.41Å; L342-L346 PolarHBondContact O-N 3.47Å; L342-T506 HydrophobicContact CD2-CG2 3.99Å; L342-V846 HydrophobicContact CD1-CB 4.38Å; L342-V846 HydrophobicContact CD1-CG1 3.87Å; L342-V846 HydrophobicContact CD1-CG2 3.52Å; L342-V846 HydrophobicContact CD2-CG2 3.65Å; L342-V846 HydrophobicContact CG-CG2 4.13Å
343	R	50.7	Low	43.3	Very low	38 Å²	38	71.9 Å²	71.9	14%	0.143	39%	0.39	C	S	.	.	H	α-helix	trans	-57.3	-45.2	174	-81.5	-173.9	171.5	-157.9	2	111.8	F339 L345 L346 G347 L348 S505	F339-R343 VanDerWaalsContact O-CB 3.3Å; F339-R343 WeakPolarHBondContact O-CB 3.4Å; F339-R343 VanDerWaalsContact O-CG 3.31Å; F339-R343 WeakPolarHBondContact O-CG 3.47Å; F339-R343 PolarHBondContact O-N 3.2Å; R343-L345 VanDerWaalsContact C-N 3.34Å; R343-L345 PolarHBondContact O-N 3.21Å; R343-L346 CarbonylContact O-C 3.56Å; R343-L346 WeakPolarHBondContact O-CA 3.3Å; R343-L346 PolarHBondContact O-N 2.98Å; R343-L346 VanDerWaalsContact O-N 3.13Å; R343-G347 PolarHBondContact O-N 2.97Å; R343-G347 VanDerWaalsContact O-N 3.15Å; R343-L348 HydrophobicContact CB-CB 3.76Å; R343-L348 HydrophobicContact CB-CD1 4.49Å; R343-L348 HydrophobicContact CG-CB 3.94Å; R343-L348 HydrophobicContact CG-CD1 3.9Å; R343-L348 WeakPolarHBondContact O-CB 3.32Å; R343-L348 PolarHBondContact O-N 3.29Å; R343-S505 PolarHBondContact NH2-OG 3.1Å
344	R	51.8	Low	43.3	Very low	131 Å²	131	73.8 Å²	73.8	49%	0.494	40%	0.398	S	S	.	.	H	α-helix	trans	-58.4	-42.3	174.9	-78.2	167	166.5	170.8	-9.8	112.9	R340 N341 L342 L346 G347 T350	R340-R344 WeakPolarHBondContact O-CG 3.24Å; R340-R344 PolarHBondContact O-N 3.13Å; R340-R344 VanDerWaalsContact O-N 3.13Å; N341-R344 WeakPolarHBondContact O-CB 3.48Å; N341-R344 PolarHBondContact O-N 3.49Å; N341-R344 PolarHBondContact OD1-NH1 3.23Å; L342-R344 VanDerWaalsContact C-N 3.34Å; L342-R344 PolarHBondContact O-N 3.02Å; R344-L346 VanDerWaalsContact C-N 3.28Å; R344-L346 PolarHBondContact O-N 3.28Å; R344-G347 PolarHBondContact O-N 2.89Å; R344-G347 VanDerWaalsContact O-N 3.15Å; R344-T350 HydrophobicContact CG-CG2 3.87Å
345	L	50.1	Low	43.3	Very low	83 Å²	83	72.8 Å²	72.8	44%	0.435	40%	0.4	S	S	.	.	H	α-helix	trans	-64.9	-34	176.7	-170.5	68.4	0	0	0	111.9	L275 N341 L342 R343 G347	L275-L345 HydrophobicContact CB-CD2 4.2Å; L275-L345 HydrophobicContact CD1-CD2 3.63Å; L275-L345 HydrophobicContact CG-CD2 4.43Å; N341-L345 PolarHBondContact O-N 3.34Å; L342-L345 WeakPolarHBondContact O-CB 3.49Å; L342-L345 PolarHBondContact O-N 3.46Å; L342-L345 VanDerWaalsContact O-N 3.16Å; R343-L345 VanDerWaalsContact C-N 3.34Å; R343-L345 PolarHBondContact O-N 3.21Å; L345-G347 VanDerWaalsContact C-N 3.27Å; L345-G347 PolarHBondContact O-N 2.98Å
346	L	47.8	Very low	43	Very low	30 Å²	30	64.7 Å²	64.7	16%	0.157	38%	0.378	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.1	11.1	174.3	-62.7	175.5	0	0	0	113.8	L342 R343 R344 L348 T506 Y509 I510 M849	L342-L346 HydrophobicContact CD2-CD1 4.34Å; L342-L346 HydrophobicContact CG-CD1 4.42Å; L342-L346 WeakPolarHBondContact O-CG 3.41Å; L342-L346 PolarHBondContact O-N 3.47Å; R343-L346 CarbonylContact O-C 3.56Å; R343-L346 WeakPolarHBondContact O-CA 3.3Å; R343-L346 PolarHBondContact O-N 2.98Å; R343-L346 VanDerWaalsContact O-N 3.13Å; R344-L346 VanDerWaalsContact C-N 3.28Å; R344-L346 PolarHBondContact O-N 3.28Å; L346-L348 HydrophobicContact CB-CD1 4.31Å; L346-L348 HydrophobicContact CB-CG 4.37Å; L346-L348 PolarHBondContact O-N 2.94Å; L346-T506 HydrophobicContact CD1-CG2 4.45Å; L346-Y509 HydrophobicContact CB-CE1 4.21Å; L346-I510 HydrophobicContact CD1-CD1 4.34Å; L346-I510 HydrophobicContact CD1-CG1 4.29Å; L346-M849 HydrophobicContact CD2-CE 3.51Å; L346-M849 HydrophobicContact CD2-SD 4.12Å
347	G	43.1	Very low	42.3	Very low	71 Å²	71	65.6 Å²	65.6	73%	0.732	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.5	3.5	-177.1	0	0	0	0	0	115.5	R343 R344 L345 S349	R343-G347 PolarHBondContact O-N 2.97Å; R343-G347 VanDerWaalsContact O-N 3.15Å; R344-G347 PolarHBondContact O-N 2.89Å; R344-G347 VanDerWaalsContact O-N 3.15Å; L345-G347 VanDerWaalsContact C-N 3.27Å; L345-G347 PolarHBondContact O-N 2.98Å; G347-S349 PolarHBondContact O-N 3.4Å
348	L	42.9	Very low	41.5	Very low	40 Å²	40	68.4 Å²	68.4	21%	0.209	39%	0.394	C	S	.	.			trans	-73.3	123.9	-177.2	-77.4	172	0	0	0	111.7	R343 L346 T350 Y509	R343-L348 HydrophobicContact CB-CB 3.76Å; R343-L348 HydrophobicContact CB-CD1 4.49Å; R343-L348 HydrophobicContact CG-CB 3.94Å; R343-L348 HydrophobicContact CG-CD1 3.9Å; R343-L348 WeakPolarHBondContact O-CB 3.32Å; R343-L348 PolarHBondContact O-N 3.29Å; L346-L348 HydrophobicContact CB-CD1 4.31Å; L346-L348 HydrophobicContact CB-CG 4.37Å; L346-L348 PolarHBondContact O-N 2.94Å; L348-T350 PolarHBondContact O-N 2.62Å; L348-Y509 HydrophobicContact CD1-CD1 3.72Å; L348-Y509 HydrophobicContact CD1-CD2 4.28Å; L348-Y509 HydrophobicContact CD1-CE1 4.18Å; L348-Y509 HydrophobicContact CD1-CG 3.77Å; L348-Y509 HydrophobicContact CD2-CD1 4.4Å; L348-Y509 HydrophobicContact CD2-CD2 3.6Å; L348-Y509 HydrophobicContact CD2-CE1 4.47Å; L348-Y509 HydrophobicContact CD2-CE2 3.67Å; L348-Y509 HydrophobicContact CD2-CG 3.98Å; L348-Y509 HydrophobicContact CG-CD1 4.16Å; L348-Y509 HydrophobicContact CG-CD2 4.25Å; L348-Y509 HydrophobicContact CG-CE1 4.17Å; L348-Y509 HydrophobicContact CG-CE2 4.24Å; L348-Y509 HydrophobicContact CG-CG 4.2Å
349	S	39.6	Very low	40.7	Very low	71 Å²	71	75.3 Å²	75.3	50%	0.497	42%	0.417	S	S	.	.			trans	-53.7	126	172.4	177.2	0	0	0	0	111.1	G347 G351 A352	G347-S349 PolarHBondContact O-N 3.4Å; S349-G351 PolarHBondContact O-N 3.3Å; S349-G351 PolarHBondContact OG-N 2.91Å; S349-A352 PolarHBondContact OG-N 2.75Å
350	T	44.8	Very low	39.6	Very low	51 Å²	51	79.7 Å²	79.7	31%	0.313	44%	0.436	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.4	4.2	176.1	70.9	0	0	0	0	113.3	R340 R344 L348	R340-T350 HydrophobicContact CG-CG2 3.52Å; R340-T350 PolarHBondContact NE-OG1 3.02Å; R340-T350 PolarHBondContact NH2-OG1 2.89Å; R344-T350 HydrophobicContact CG-CG2 3.87Å; L348-T350 PolarHBondContact O-N 2.62Å
351	G	35.5	Very low	38.6	Very low	55 Å²	55	81.8 Å²	81.8	57%	0.567	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	-134.2	17.7	177	0	0	0	0	0	113.3	S349 D353	S349-G351 PolarHBondContact O-N 3.3Å; S349-G351 PolarHBondContact OG-N 2.91Å; G351-D353 PolarHBondContact O-N 3.44Å
352	A	36.1	Very low	37.5	Very low	55 Å²	55	82.9 Å²	82.9	46%	0.455	46%	0.461	S	S	.	.	S	Bend	trans	-67.1	122.3	158	0	0	0	0	0	107.2	S349	S349-A352 PolarHBondContact OG-N 2.75Å
353	D	32.9	Very low	36.7	Very low	110 Å²	110	86.5 Å²	86.5	59%	0.588	48%	0.48	S	S	*	.			trans	-59.5	152.2	-160.3	-74.8	-67.3	0	0	0	114.9	G351 S355 T356	G351-D353 PolarHBondContact O-N 3.44Å; D353-S355 WeakPolarHBondContact CB-OG 3.34Å; D353-S355 PolarHBondContact O-N 3.4Å; D353-T356 PolarHBondContact O-N 3.27Å; D353-T356 VanDerWaalsContact O-N 3.08Å; D353-T356 PolarHBondContact O-OG1 3.35Å
354	T	35.4	Very low	35.8	Very low	127 Å²	127	92.8 Å²	92.8	78%	0.779	50%	0.504	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.8	-1.4	164.3	46.9	0	0	0	0	113.1	T356	T354-T356 VanDerWaalsContact C-N 3.32Å
355	S	31.2	Very low	34.7	Very low	91 Å²	91	92.2 Å²	92.2	64%	0.636	51%	0.507	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.5	8.4	168.2	67.6	0	0	0	0	113.8	D353 Q357	D353-S355 WeakPolarHBondContact CB-OG 3.34Å; D353-S355 PolarHBondContact O-N 3.4Å; S355-Q357 PolarHBondContact O-N 2.95Å
356	T	29.8	Very low	33.7	Very low	78 Å²	78	93.2 Å²	93.2	48%	0.479	51%	0.508	S	S	.	.			trans	-63.4	80	160.3	60.9	0	0	0	0	109.1	D353 T354 W358	D353-T356 PolarHBondContact O-N 3.27Å; D353-T356 VanDerWaalsContact O-N 3.08Å; D353-T356 PolarHBondContact O-OG1 3.35Å; T354-T356 VanDerWaalsContact C-N 3.32Å; T356-W358 VanDerWaalsContact C-N 3.34Å; T356-W358 PolarHBondContact O-N 3.05Å; T356-W358 PolarHBondContact OG1-NE1 3.4Å
357	Q	26.9	Very low	32.6	Very low	125 Å²	125	96.2 Å²	96.2	58%	0.584	53%	0.529	S	S	*	.			trans	-60.4	102.1	165.4	-178.1	176.9	80.1	0	0	105.3	S355 R359	S355-Q357 PolarHBondContact O-N 2.95Å; Q357-R359 HydrophobicContact CG-CG 4.12Å; Q357-R359 PolarHBondContact O-N 2.86Å; Q357-R359 VanDerWaalsContact OE1-NH2 3.11Å
358	W	30.4	Very low	32	Very low	110 Å²	110	98 Å²	98	42%	0.417	53%	0.53	S	S	.	.			trans	-69.2	74.2	172.2	-72.3	82.6	0	0	0	108.3	T356 F360	T356-W358 VanDerWaalsContact C-N 3.34Å; T356-W358 PolarHBondContact O-N 3.05Å; T356-W358 PolarHBondContact OG1-NE1 3.4Å; W358-F360 HydrophobicContact CB-CD2 4.33Å; W358-F360 HydrophobicContact CE3-CE2 4.48Å; W358-F360 PolarHBondContact O-N 3.4Å
359	R	25.9	Very low	31.2	Very low	165 Å²	165	100.6 Å²	100.6	62%	0.623	55%	0.552	S	S	*	*			trans	-61.5	77.5	145.8	-61.3	-169	-169.2	-161.4	2.3	106.4	Q357 H361	Q357-R359 HydrophobicContact CG-CG 4.12Å; Q357-R359 PolarHBondContact O-N 2.86Å; Q357-R359 VanDerWaalsContact OE1-NH2 3.11Å; R359-H361 VanDerWaalsContact C-N 3.34Å; R359-H361 PolarHBondContact O-N 3.27Å; R359-H361 VanDerWaalsContact O-N 3.08Å
360	F	28.5	Very low	30.7	Very low	99 Å²	99	103.8 Å²	103.8	43%	0.434	56%	0.563	S	S	.	*			trans	-42.1	117.8	130.9	-78.4	-83.6	0	0	0	105.1	W358 S362 H869	W358-F360 HydrophobicContact CB-CD2 4.33Å; W358-F360 HydrophobicContact CE3-CE2 4.48Å; W358-F360 PolarHBondContact O-N 3.4Å; F360-S362 PolarHBondContact O-N 3.45Å; F360-H869 AromaticContact CD1-CE1 3.9Å; F360-H869 AromaticContact CE1-CE1 3.62Å; F360-H869 AromaticContact CZ-CE1 3.83Å
361	H	26.9	Very low	29.9	Very low	134 Å²	134	105.7 Å²	105.7	62%	0.62	58%	0.578	S	S	*	*			trans	-61.7	99	174.3	-80.3	-108.4	0	0	0	106	R359 L363 H365	R359-H361 VanDerWaalsContact C-N 3.34Å; R359-H361 PolarHBondContact O-N 3.27Å; R359-H361 VanDerWaalsContact O-N 3.08Å; H361-L363 PolarHBondContact O-N 3.24Å; H361-H365 PolarHBondContact ND1-O 2.9Å
362	S	27.1	Very low	29.6	Very low	72 Å²	72	113.7 Å²	113.7	50%	0.503	59%	0.591	S	S	.	*			trans	-44.2	130.9	155.7	175.3	0	0	0	0	105.5	F360 R364 H365	F360-S362 PolarHBondContact O-N 3.45Å; S362-R364 PolarHBondContact O-N 3.37Å; S362-H365 PolarHBondContact O-N 2.92Å
363	L	34.5	Very low	29.1	Very low	81 Å²	81	118.6 Å²	118.6	42%	0.424	61%	0.61	S	S	.	*	T	Hydrogen-bonded Turn	trans	-66.6	7.6	-161.5	-67.7	169.3	0	0	0	113.6	H361 S690	H361-L363 PolarHBondContact O-N 3.24Å; L363-S690 VanDerWaalsContact CB-CB 3.47Å
364	R	30	Very low	28.9	Very low	169 Å²	169	125.8 Å²	125.8	64%	0.638	63%	0.629	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.5	-6.1	176.2	-58.5	178.4	173.4	-178.8	-4.3	114.3	S362	S362-R364 PolarHBondContact O-N 3.37Å
365	H	30.2	Very low	28.5	Very low	120 Å²	120	122.8 Å²	122.8	56%	0.556	62%	0.623	S	S	*	*			trans	-109.4	58.9	176.8	-71.8	-30.5	0	0	0	112.6	H361 S362	H361-H365 PolarHBondContact ND1-O 2.9Å; S362-H365 PolarHBondContact O-N 2.92Å
366	F	27.8	Very low	28.4	Very low	104 Å²	104	124.2 Å²	124.2	46%	0.456	63%	0.633	S	S	.	*			trans	-70.1	145	151.2	-84.7	-95	0	0	0	109.6	S368 S690 M691	F366-S368 PolarHBondContact O-N 3.43Å; F366-S690 WeakPolarHBondContact CE2-O 3.47Å; F366-M691 HydrophobicContact CE1-SD 4.5Å; F366-M691 HydrophobicContact CZ-SD 3.75Å
367	P	25.8	Very low	28.4	Very low	93 Å²	93	126 Å²	126	60%	0.604	65%	0.648	S	S	*	*			trans	-66.2	124.9	160.2	30.1	-32	0	0	0	108	S369	P367-S369 PolarHBondContact O-N 3.23Å
368	S	28.9	Very low	28.6	Very low	108 Å²	108	124.6 Å²	124.6	76%	0.755	65%	0.653	S	S	*	*	S	Bend	trans	-69.1	9.9	177.8	43.4	0	0	0	0	113.9	F366 L370 S371	F366-S368 PolarHBondContact O-N 3.43Å; S368-L370 PolarHBondContact O-N 2.9Å; S368-L370 VanDerWaalsContact O-N 3.08Å; S368-S371 WeakPolarHBondContact O-CB 3.31Å; S368-S371 PolarHBondContact O-N 3.32Å; S368-S371 PolarHBondContact O-OG 2.85Å
369	S	27.4	Very low	28.7	Very low	95 Å²	95	126.7 Å²	126.7	66%	0.664	67%	0.672	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.8	9.5	175.9	63.1	0	0	0	0	114.9	P367	P367-S369 PolarHBondContact O-N 3.23Å
370	L	29.4	Very low	28.9	Very low	138 Å²	138	124.1 Å²	124.1	72%	0.723	69%	0.686	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.7	23.2	158.4	-72.6	-179.8	0	0	0	112.6	S368 W372	S368-L370 PolarHBondContact O-N 2.9Å; S368-L370 VanDerWaalsContact O-N 3.08Å; L370-W372 PolarHBondContact O-N 3.49Å
371	S	27.2	Very low	29.1	Very low	91 Å²	91	122.8 Å²	122.8	64%	0.636	70%	0.7	S	S	*	*			trans	-59	80.7	151.1	61.7	0	0	0	0	109.8	S368 N373	S368-S371 WeakPolarHBondContact O-CB 3.31Å; S368-S371 PolarHBondContact O-N 3.32Å; S368-S371 PolarHBondContact O-OG 2.85Å; S371-N373 PolarHBondContact O-N 3.46Å
372	W	28.8	Very low	29.3	Very low	223 Å²	223	125.3 Å²	125.3	85%	0.845	71%	0.709	S	S	*	*			trans	-60.6	109	169.1	-95.7	58.3	0	0	0	108.1	L370 R374	L370-W372 PolarHBondContact O-N 3.49Å; W372-R374 PolarHBondContact O-N 2.83Å
373	N	27.1	Very low	29.5	Very low	158 Å²	158	129.4 Å²	129.4	85%	0.845	72%	0.72	S	S	*	*			trans	-56.8	110.7	179.8	-105.1	-18.5	0	0	0	109.3	S371 G375	S371-N373 PolarHBondContact O-N 3.46Å; N373-G375 PolarHBondContact O-N 2.76Å
374	R	27.7	Very low	29.5	Very low	261 Å²	261	130.3 Å²	130.3	99%	0.985	74%	0.74	S	S	*	*			trans	-79.3	71.6	-177.1	-163.1	-177.3	-162.3	-137.6	6.4	110.2	W372	W372-R374 PolarHBondContact O-N 2.83Å
375	G	27.3	Very low	29.4	Very low	63 Å²	63	134 Å²	134	65%	0.649	75%	0.754	S	S	*	*			trans	-155.5	149.4	178.1	0	0	0	0	0	113.2	N373	N373-G375 PolarHBondContact O-N 2.76Å
376	S	28.8	Very low	29.4	Very low	122 Å²	122	135.3 Å²	135.3	85%	0.853	77%	0.77	S	S	*	*			cis	-163.7	115.3	-11	-170.3	0	0	0	0	112.1
377	S	30.2	Very low	29.4	Very low	114 Å²	114	133.7 Å²	133.7	80%	0.797	78%	0.783	S	S	*	*			trans	177.6	134.5	156.3	52.5	0	0	0	0	110
378	S	30.5	Very low	29.4	Very low	97 Å²	97	138.4 Å²	138.4	68%	0.678	79%	0.794	S	S	*	*			cis	-165.8	146.7	-12.8	52.6	0	0	0	0	110.9
379	N	32.1	Very low	29.4	Very low	154 Å²	154	140.3 Å²	140.3	82%	0.824	80%	0.795	S	S	*	*			trans	71.6	121.3	156.5	-56.5	-22.5	0	0	0	121.1
380	A	31.5	Very low	29.5	Very low	111 Å²	111	145.1 Å²	145.1	92%	0.917	81%	0.807	S	S	*	*			trans	63	135.8	150.1	0	0	0	0	0	120.7
381	G	31.2	Very low	29.4	Very low	71 Å²	71	141 Å²	141	73%	0.732	80%	0.798	S	S	*	*			cis	171.4	141.6	-11.3	0	0	0	0	0	116
382	K	32.7	Very low	29.7	Very low	186 Å²	186	142.7 Å²	142.7	81%	0.809	80%	0.804	S	S	*	*			trans	71.6	136.1	160.6	-76	176.3	150.8	-120.5	0	121.4
383	E	31.3	Very low	29.8	Very low	158 Å²	158	138.1 Å²	138.1	74%	0.738	80%	0.796	S	S	*	*			trans	79	75.3	141.4	-70.5	161.3	-136.9	0	0	122
384	A	33.7	Very low	29.9	Very low	101 Å²	101	139 Å²	139	84%	0.835	79%	0.789	S	S	*	*			trans	-175.9	122.1	131.8	0	0	0	0	0	108
385	R	27.6	Very low	30.2	Very low	247 Å²	247	130.8 Å²	130.8	93%	0.932	77%	0.771	S	S	*	*			cis	86.6	57.1	13.5	-138.9	-171.4	-163.3	-159.3	4.7	118.3
386	T	30.9	Very low	30.5	Very low	146 Å²	146	130.5 Å²	130.5	90%	0.896	76%	0.762	S	S	*	*			trans	-169.7	122.9	142.8	25.1	0	0	0	0	106.5
387	G	26.7	Very low	30.6	Very low	70 Å²	70	127.8 Å²	127.8	72%	0.722	75%	0.747	S	S	*	*				110.1	149.3	82.9	0	0	0	0	0	108.9
388	F	26.6	Very low	30.7	Very low	192 Å²	192	125.6 Å²	125.6	84%	0.842	73%	0.732	S	S	*	*			cis	-155.5	152.6	0.3	-138.9	-120.1	0	0	0	109.9
389	L	29.3	Very low	30.8	Very low	148 Å²	148	126.8 Å²	126.8	78%	0.775	73%	0.727	S	S	*	*			trans	44.4	100.2	164.8	-63.9	171.9	0	0	0	120.5	G391	L389-G391 PolarHBondContact O-N 3.31Å
390	H	28.1	Very low	31	Very low	197 Å²	197	126.3 Å²	126.3	91%	0.912	72%	0.719	S	S	*	*			trans	-77.3	106.9	140.7	-91.9	-72.7	0	0	0	108.8
391	G	28.8	Very low	31.1	Very low	51 Å²	51	127.7 Å²	127.7	53%	0.526	71%	0.711	S	S	.	*			trans	-73.9	130.7	169.9	0	0	0	0	0	111.4	L389 D393	L389-G391 PolarHBondContact O-N 3.31Å; G391-D393 PolarHBondContact O-N 3.5Å
392	T	32.2	Very low	31.4	Very low	127 Å²	127	131 Å²	131	78%	0.779	71%	0.711	S	S	*	*	G	3₁₀ helix	trans	-73.4	-9.8	-172.8	38.5	0	0	0	0	114.9	Y394	T392-Y394 VanDerWaalsContact C-N 3.31Å; T392-Y394 PolarHBondContact O-N 2.97Å
393	D	30.9	Very low	31.6	Very low	126 Å²	126	128.3 Å²	128.3	67%	0.674	71%	0.705	S	S	*	*	G	3₁₀ helix	trans	-86.8	-2.3	-163.6	-44.7	-45.7	0	0	0	113.6	G391 C395 A396	G391-D393 PolarHBondContact O-N 3.5Å; D393-C395 PolarHBondContact O-N 3.25Å; D393-A396 PolarHBondContact O-N 2.89Å
394	Y	30.7	Very low	31.9	Very low	177 Å²	177	124.2 Å²	124.2	69%	0.694	69%	0.694	S	S	*	*	G	3₁₀ helix	trans	-64.6	-6.7	-175.9	-135.8	-86.7	0	0	0	114.7	T392	T392-Y394 VanDerWaalsContact C-N 3.31Å; T392-Y394 PolarHBondContact O-N 2.97Å
395	C	33.5	Very low	31.9	Very low	89 Å²	89	124.5 Å²	124.5	60%	0.601	69%	0.69	S	S	*	*	G	3₁₀ helix	trans	-85.9	-27.3	171.7	-76.1	0	0	0	0	114.3	D393 A397 S398 Q399	D393-C395 PolarHBondContact O-N 3.25Å; C395-A397 PolarHBondContact O-N 2.92Å; C395-S398 WeakPolarHBondContact O-CB 3.3Å; C395-S398 PolarHBondContact O-N 2.82Å; C395-Q399 PolarHBondContact O-N 2.93Å
396	A	32.3	Very low	32.1	Very low	57 Å²	57	118.3 Å²	118.3	47%	0.471	69%	0.685	S	S	.	*	H	α-helix	trans	-62.4	-51.4	-168	0	0	0	0	0	113.2	D393 S398 Q399 E400	D393-A396 PolarHBondContact O-N 2.89Å; A396-S398 PolarHBondContact O-N 3.46Å; A396-Q399 WeakPolarHBondContact O-CA 3.26Å; A396-Q399 WeakPolarHBondContact O-CB 3.43Å; A396-Q399 PolarHBondContact O-N 2.99Å; A396-E400 PolarHBondContact O-N 3.11Å; A396-E400 VanDerWaalsContact O-N 3.1Å
397	A	31.2	Very low	32.1	Very low	65 Å²	65	117.1 Å²	117.1	54%	0.537	68%	0.677	S	S	.	*	H	α-helix	trans	-63.5	-24.5	179.1	0	0	0	0	0	113.5	C395 Q399	C395-A397 PolarHBondContact O-N 2.92Å; A397-Q399 VanDerWaalsContact C-N 3.27Å
398	S	32.3	Very low	32.4	Very low	67 Å²	67	117.9 Å²	117.9	47%	0.469	66%	0.664	S	S	.	*	H	α-helix	trans	-75.3	-19.4	173.9	-58.2	0	0	0	0	112.4	C395 A396 L402	C395-S398 WeakPolarHBondContact O-CB 3.3Å; C395-S398 PolarHBondContact O-N 2.82Å; A396-S398 PolarHBondContact O-N 3.46Å; S398-L402 WeakPolarHBondContact O-CD1 3.34Å; S398-L402 WeakPolarHBondContact O-CG 3.45Å
399	Q	34	Very low	32.8	Very low	123 Å²	123	114.3 Å²	114.3	58%	0.575	66%	0.658	S	S	*	*	H	α-helix	trans	-99.5	-33.3	-174.5	-150	154.7	1.6	0	0	111.9	C395 A396 A397 L402 N403	C395-Q399 PolarHBondContact O-N 2.93Å; A396-Q399 WeakPolarHBondContact O-CA 3.26Å; A396-Q399 WeakPolarHBondContact O-CB 3.43Å; A396-Q399 PolarHBondContact O-N 2.99Å; A397-Q399 VanDerWaalsContact C-N 3.27Å; Q399-L402 PolarHBondContact O-N 3.49Å; Q399-L402 VanDerWaalsContact O-N 3.17Å; Q399-N403 VanDerWaalsContact O-CG 3.27Å; Q399-N403 PolarHBondContact O-N 3.47Å; Q399-N403 PolarHBondContact O-ND2 3.44Å
400	E	35.4	Very low	33	Very low	143 Å²	143	116 Å²	116	67%	0.668	66%	0.659	S	S	*	*	H	α-helix	trans	-64.1	-37.4	168.4	-69	-170.7	114.1	0	0	112.8	A396 L402 N403 S404	A396-E400 PolarHBondContact O-N 3.11Å; A396-E400 VanDerWaalsContact O-N 3.1Å; E400-L402 PolarHBondContact O-N 3Å; E400-N403 PolarHBondContact O-N 3.34Å; E400-N403 VanDerWaalsContact O-N 3.14Å; E400-S404 PolarHBondContact O-N 3.4Å; E400-S404 PolarHBondContact O-OG 3.02Å
401	L	34.4	Very low	33.2	Very low	141 Å²	141	114 Å²	114	74%	0.738	65%	0.65	S	S	*	*	H	α-helix	trans	-68.1	-12.9	173.5	-88.7	167.1	0	0	0	114.1
402	L	37.6	Very low	33.4	Very low	140 Å²	140	118 Å²	118	73%	0.733	66%	0.659	S	S	*	*	H	α-helix	trans	-96.3	-18	171.8	-72	170.5	0	0	0	112.9	S398 Q399 E400	S398-L402 WeakPolarHBondContact O-CD1 3.34Å; S398-L402 WeakPolarHBondContact O-CG 3.45Å; Q399-L402 PolarHBondContact O-N 3.49Å; Q399-L402 VanDerWaalsContact O-N 3.17Å; E400-L402 PolarHBondContact O-N 3Å
403	N	37.2	Very low	33.1	Very low	130 Å²	130	115.8 Å²	115.8	70%	0.695	65%	0.654	S	S	*	*	H	α-helix	trans	-93.3	-3.8	-177.8	-69.2	-20.1	0	0	0	113.6	Q399 E400	Q399-N403 VanDerWaalsContact O-CG 3.27Å; Q399-N403 PolarHBondContact O-N 3.47Å; Q399-N403 PolarHBondContact O-ND2 3.44Å; E400-N403 PolarHBondContact O-N 3.34Å; E400-N403 VanDerWaalsContact O-N 3.14Å
404	S	36.4	Very low	33	Very low	72 Å²	72	118.6 Å²	118.6	50%	0.503	66%	0.662	S	S	.	*	S	Bend	trans	-100.4	97.4	-173.9	32.6	0	0	0	0	113.5	E400	E400-S404 PolarHBondContact O-N 3.4Å; E400-S404 PolarHBondContact O-OG 3.02Å
405	S	34.6	Very low	32.9	Very low	106 Å²	106	118.1 Å²	118.1	74%	0.741	67%	0.67	S	S	*	*	S	Bend	trans	67.9	101.2	165.4	58.5	0	0	0	0	120
406	S	30.1	Very low	32.6	Very low	118 Å²	118	125.2 Å²	125.2	83%	0.825	68%	0.684	S	S	*	*			trans	64.8	57.9	137.3	63.2	0	0	0	0	120.9
407	V	31.5	Very low	32.5	Very low	120 Å²	120	129.8 Å²	129.8	73%	0.727	70%	0.699	S	S	*	*			trans	-136	138.3	133.9	-178.2	0	0	0	0	108.3	V409 L412	V407-V409 PolarHBondContact O-N 3.15Å; V407-L412 HydrophobicContact CG1-CD1 4.37Å
408	N	33.1	Very low	32.4	Very low	86 Å²	86	131.8 Å²	131.8	46%	0.46	71%	0.709	S	S	.	*			trans	-74.8	111.3	-178.7	-178.1	10.4	0	0	0	111.5	K410 E411	N408-K410 PolarHBondContact O-N 3.2Å; N408-K410 VanDerWaalsContact O-N 3.07Å; N408-K410 VanDerWaalsContact OD1-CB 3.23Å; N408-K410 WeakPolarHBondContact OD1-CB 3.45Å; N408-K410 PolarHBondContact OD1-N 3.42Å; N408-E411 PolarHBondContact O-N 2.98Å; N408-E411 VanDerWaalsContact O-N 3.12Å
409	V	34.8	Very low	32.1	Very low	118 Å²	118	137.7 Å²	137.7	72%	0.715	73%	0.73	S	S	*	*	G	3₁₀ helix	trans	-57.7	-24.3	177.3	179.7	0	0	0	0	112.2	V407 E411 L412	V407-V409 PolarHBondContact O-N 3.15Å; V409-E411 VanDerWaalsContact C-N 3.27Å; V409-E411 PolarHBondContact O-N 3.07Å; V409-L412 PolarHBondContact O-N 3.38Å
410	K	32.8	Very low	32	Very low	183 Å²	183	138.2 Å²	138.2	80%	0.796	74%	0.736	S	S	*	*	G	3₁₀ helix	trans	-75.1	-7.4	-179.7	-146.6	173.7	-175.5	178.8	0	114.7	N408	N408-K410 PolarHBondContact O-N 3.2Å; N408-K410 VanDerWaalsContact O-N 3.07Å; N408-K410 VanDerWaalsContact OD1-CB 3.23Å; N408-K410 WeakPolarHBondContact OD1-CB 3.45Å; N408-K410 PolarHBondContact OD1-N 3.42Å
411	E	33.8	Very low	31.9	Very low	155 Å²	155	137 Å²	137	72%	0.724	73%	0.734	S	S	*	*	G	3₁₀ helix	trans	-104.7	0.2	174.7	-70	177.1	130.1	0	0	113.3	N408 V409	N408-E411 PolarHBondContact O-N 2.98Å; N408-E411 VanDerWaalsContact O-N 3.12Å; V409-E411 VanDerWaalsContact C-N 3.27Å; V409-E411 PolarHBondContact O-N 3.07Å
412	L	32.1	Very low	31.9	Very low	135 Å²	135	137.4 Å²	137.4	71%	0.707	74%	0.743	S	S	*	*	S	Bend	trans	-104.4	19.5	178.4	-84.2	165.8	0	0	0	113.3	V407 V409	V407-L412 HydrophobicContact CG1-CD1 4.37Å; V409-L412 PolarHBondContact O-N 3.38Å
413	A	27.2	Very low	31.7	Very low	81 Å²	81	139 Å²	139	67%	0.669	75%	0.747	S	S	*	*	S	Bend	trans	-122	18.9	-167.9	0	0	0	0	0	115
414	E	27.9	Very low	31.6	Very low	184 Å²	184	143.1 Å²	143.1	86%	0.86	75%	0.753	S	S	*	*			trans	-151.6	110.2	172.6	-121.8	165.1	-143	0	0	112.4
415	I	28.6	Very low	31.5	Very low	167 Å²	167	146.2 Å²	146.2	86%	0.856	76%	0.763	S	S	*	*			trans	-177.5	106.1	141.1	-91	152	0	0	0	106.7
416	R	27.9	Very low	31.6	Very low	238 Å²	238	145.5 Å²	145.5	90%	0.898	76%	0.758	S	S	*	*			trans	-97	145.1	151.4	-64.1	174.2	178.2	164.5	-1.6	106.5
417	I	29.7	Very low	31.9	Very low	154 Å²	154	147.9 Å²	147.9	79%	0.79	76%	0.76	S	S	*	*			trans	176.9	99.2	155.9	-95.3	147.6	0	0	0	104.1
418	S	28.5	Very low	32	Very low	107 Å²	107	145.4 Å²	145.4	75%	0.748	75%	0.752	S	S	*	*				76.3	102.1	88.7	-60.6	0	0	0	0	112.7
419	E	27.4	Very low	32.1	Very low	191 Å²	191	149 Å²	149	89%	0.893	77%	0.771	S	S	*	*			trans	-63.7	128	145.5	-62.6	167	129.3	0	0	107.2
420	D	31.7	Very low	32.2	Very low	133 Å²	133	148.1 Å²	148.1	71%	0.711	77%	0.77	S	S	*	*				-179.8	154.1	112	-119.6	-5.5	0	0	0	114.8
421	N	32.5	Very low	32.2	Very low	117 Å²	117	146.3 Å²	146.3	63%	0.626	77%	0.769	S	S	*	*			trans	46	120.1	149.5	-59.4	-41.1	0	0	0	122
422	T	33.9	Very low	32.3	Very low	151 Å²	151	143.6 Å²	143.6	93%	0.926	77%	0.767	S	S	*	*				-138.2	117.4	120.2	10.1	0	0	0	0	109.6
423	E	34.4	Very low	32.5	Very low	173 Å²	173	146 Å²	146	81%	0.808	78%	0.777	S	S	*	*			trans	-70.1	158.8	170.2	-56.6	167.8	109.9	0	0	110.8
424	R	35.4	Very low	32.7	Very low	217 Å²	217	145.4 Å²	145.4	82%	0.819	78%	0.778	S	S	*	*				-169.4	140.9	124	-109.3	177.8	-170	177.8	3.2	113.5
425	D	34.4	Very low	33.3	Very low	137 Å²	137	142.8 Å²	142.8	73%	0.733	78%	0.777	S	S	*	*			trans	61	134.3	146.8	-51.7	-27.8	0	0	0	118.8
426	S	36.7	Very low	33.6	Very low	91 Å²	91	146.1 Å²	146.1	64%	0.636	78%	0.779	S	S	*	*			cis	-173.5	146.1	-6	52.3	0	0	0	0	111.5
427	I	35.3	Very low	33.9	Very low	167 Å²	167	140.8 Å²	140.8	86%	0.856	78%	0.778	S	S	*	*			trans	62.6	142.2	140.2	-65.6	166.6	0	0	0	119
428	A	34.9	Very low	34.1	Very low	69 Å²	69	136.4 Å²	136.4	57%	0.57	77%	0.771	S	S	*	*			cis	-175.6	161.4	-27.5	0	0	0	0	0	108.9
429	L	34.8	Very low	34.3	Very low	162 Å²	162	137.7 Å²	137.7	85%	0.848	78%	0.775	S	S	*	*			trans	64.8	163.3	156	-67	160.9	0	0	0	116.3
430	S	35.4	Very low	34.6	Very low	98 Å²	98	136 Å²	136	69%	0.685	77%	0.77	S	S	*	*			cis	-172.5	154.5	-13.7	42.9	0	0	0	0	108.6
431	D	34	Very low	34.5	Very low	145 Å²	145	134.1 Å²	134.1	78%	0.775	77%	0.768	S	S	*	*			cis	-170	-175.2	-25.8	-150.9	-82.4	0	0	0	108
432	S	35.1	Very low	34.4	Very low	98 Å²	98	133.1 Å²	133.1	69%	0.685	77%	0.77	S	S	*	*			trans	71.9	152.2	167	95.7	0	0	0	0	116.1
433	M	36.4	Very low	34.2	Very low	186 Å²	186	131.6 Å²	131.6	92%	0.916	76%	0.76	S	S	*	*			cis	-138.6	167	-15.3	-71.9	-164.8	-102.3	0	0	106.8
434	G	31.6	Very low	33.9	Very low	68 Å²	68	134.3 Å²	134.3	70%	0.701	76%	0.763	S	S	*	*			cis	177.5	161.6	1.6	0	0	0	0	0	108.9
435	P	41	Very low	33.6	Very low	129 Å²	129	127.2 Å²	127.2	84%	0.838	75%	0.747	S	S	*	*			trans	-111.4	169.6	-153.2	40.2	-34.7	0	0	0	115.7
436	R	34.1	Very low	33.5	Very low	237 Å²	237	121.1 Å²	121.1	89%	0.894	72%	0.715	S	S	*	*			trans	-150.4	122	155	-116.4	173.8	-176.9	-161	-2	113.8
437	S	34.8	Very low	33.1	Very low	126 Å²	126	122.8 Å²	122.8	88%	0.881	72%	0.717	S	S	*	*			trans	37.6	126.5	152.8	-49.7	0	0	0	0	121.1
438	G	33.7	Very low	32.9	Very low	62 Å²	62	124.9 Å²	124.9	64%	0.639	72%	0.715	S	S	*	*			cis	163.8	167.2	-7.3	0	0	0	0	0	114.4
439	T	32.7	Very low	32.6	Very low	134 Å²	134	128.4 Å²	128.4	82%	0.822	72%	0.724	S	S	*	*			trans	54.4	137.6	143.7	56.1	0	0	0	0	120.2
440	I	34.1	Very low	32.2	Very low	155 Å²	155	126.8 Å²	126.8	80%	0.795	72%	0.721	S	S	*	*			cis	-172.2	158.9	1.3	-120.8	166.9	0	0	0	105.6
441	S	30.2	Very low	31.9	Very low	95 Å²	95	127.3 Å²	127.3	66%	0.664	73%	0.731	S	S	*	*			cis	-150.4	168	2.7	-108.7	0	0	0	0	108.1
442	S	29.1	Very low	31.5	Very low	96 Å²	96	124.8 Å²	124.8	67%	0.671	73%	0.725	S	S	*	*				54.9	128	69.9	-134.3	0	0	0	0	114.8
443	T	29.2	Very low	31.4	Very low	118 Å²	118	128.8 Å²	128.8	72%	0.724	74%	0.735	S	S	*	*			cis	-164.2	159.6	3.3	-9.1	0	0	0	0	112.9
444	R	29	Very low	30.9	Very low	231 Å²	231	124.5 Å²	124.5	87%	0.872	72%	0.719	S	S	*	*			trans	31.3	134.2	151.7	-76.3	172.2	162.7	173.6	-6.3	122
445	S	29.5	Very low	30.7	Very low	68 Å²	68	127.9 Å²	127.9	48%	0.476	72%	0.721	S	S	.	*			cis	-159.5	-96	-21	17.7	0	0	0	0	114.7	R200	R200-S445 WeakPolarHBondContact CD-O 3.46Å; R200-S445 PolarHBondContact NH1-O 2.95Å
446	S	31.4	Very low	30.2	Very low	9 Å²	9	127.7 Å²	127.7	6%	0.063	72%	0.722	C	S	.	*			cis	167.2	123.7	-12.8	23.8	0	0	0	0	115.4	R200 L201	R200-S446 VanDerWaalsContact C-CB 3.42Å; R200-S446 CarbonylContact C-O 3.05Å; R200-S446 WeakPolarHBondContact CA-O 3.45Å; R200-S446 WeakPolarHBondContact CB-O 3.43Å; R200-S446 WeakPolarHBondContact CB-OG 3.5Å; R200-S446 WeakPolarHBondContact CG-O 3.45Å; R200-S446 PolarHBondContact O-OG 3.38Å; L201-S446 VanDerWaalsContact CG-C 3.46Å; L201-S446 VanDerWaalsContact N-C 3.33Å; L201-S446 PolarHBondContact N-O 2.94Å; L201-S446 PolarHBondContact N-OG 3.36Å; L201-S446 VanDerWaalsContact O-CB 3.28Å; L201-S446 WeakPolarHBondContact O-CB 3.47Å; L201-S446 PolarHBondContact O-OG 3Å
447	N	29.6	Very low	30.1	Very low	126 Å²	126	120.9 Å²	120.9	67%	0.674	71%	0.71	S	S	*	*			trans	-44.6	173.1	-178.4	-44.1	-0.2	0	0	0	123	L201	L201-N447 WeakPolarHBondContact CA-O 3.15Å; L201-N447 VanDerWaalsContact CB-O 3.22Å; L201-N447 WeakPolarHBondContact CB-O 3.43Å; L201-N447 HydrophobicContact CD2-CB 3.88Å; L201-N447 HydrophobicContact CG-CB 4.35Å; L201-N447 VanDerWaalsContact CG-N 3.33Å; L201-N447 PolarHBondContact N-O 2.9Å
448	Y	30.4	Very low	29.7	Very low	211 Å²	211	120.9 Å²	120.9	83%	0.827	71%	0.705	S	S	*	*			trans	-169	146.7	153.1	-127.4	-37.2	0	0	0	109.5
449	L	29.6	Very low	29.6	Very low	142 Å²	142	124.9 Å²	124.9	74%	0.743	71%	0.711	S	S	*	*			trans	25.6	119.3	171.3	-57	173.1	0	0	0	119.6
450	T	26	Very low	29.6	Very low	129 Å²	129	124 Å²	124	79%	0.791	71%	0.706	S	S	*	*				56.4	111.6	59.4	72.2	0	0	0	0	116.6
451	A	29.1	Very low	29.7	Very low	108 Å²	108	124.9 Å²	124.9	89%	0.893	70%	0.704	S	S	*	*			trans	-130.5	121.8	157.1	0	0	0	0	0	108.9
452	S	25.1	Very low	29.8	Very low	93 Å²	93	127 Å²	127	65%	0.65	70%	0.703	S	S	*	*			trans	-100.9	139.7	169.8	177.4	0	0	0	0	108.4
453	M	32.2	Very low	29.9	Very low	182 Å²	182	131 Å²	131	90%	0.897	71%	0.711	S	S	*	*			trans	-132	141.3	160.6	-81.5	-78.7	92.5	0	0	108.2
454	T	27.7	Very low	30.1	Very low	95 Å²	95	129.8 Å²	129.8	58%	0.583	71%	0.707	S	S	*	*			trans	-117.9	176.5	-162.1	57.4	0	0	0	0	112.1
455	D	26.2	Very low	30.2	Very low	139 Å²	139	126.3 Å²	126.3	74%	0.743	71%	0.706	S	S	*	*			trans	58.3	104	151.5	-48.7	-41.4	0	0	0	120
456	C	30.7	Very low	30.4	Very low	126 Å²	126	128 Å²	128	85%	0.851	72%	0.724	S	S	*	*				-164.1	151.3	125.4	-98.2	0	0	0	0	108.6
457	S	31.1	Very low	30.3	Very low	93 Å²	93	137.1 Å²	137.1	65%	0.65	76%	0.763	S	S	*	*			cis	174.7	115	-19.8	-95.8	0	0	0	0	104.6
458	T	28.1	Very low	30.5	Very low	126 Å²	126	139.5 Å²	139.5	77%	0.773	78%	0.775	S	S	*	*			trans	34.5	135.9	145.5	57.6	0	0	0	0	121.7
459	L	31.8	Very low	30.6	Very low	147 Å²	147	136 Å²	136	77%	0.77	77%	0.77	S	S	*	*				-178.4	118.5	114.8	-98.4	167	0	0	0	114
460	T	32.3	Very low	30.8	Very low	116 Å²	116	134.7 Å²	134.7	71%	0.712	77%	0.77	S	S	*	*			trans	62.3	153.3	150.5	55.5	0	0	0	0	120.2
461	K	35.1	Very low	31.3	Very low	173 Å²	173	135.8 Å²	135.8	75%	0.752	77%	0.77	S	S	*	*			cis	-149.9	172.4	1.7	-132.2	164.5	-175.8	178.2	0	112.8
462	Q	32.5	Very low	31.7	Very low	140 Å²	140	138.1 Å²	138.1	65%	0.654	76%	0.762	S	S	*	*			trans	-51.2	155.1	177.5	-56.8	138.4	-76.4	0	0	113.1
463	H	32.7	Very low	32.2	Very low	178 Å²	178	141.6 Å²	141.6	82%	0.824	77%	0.768	S	S	*	*				-157.7	179.7	58.2	-102	-85.1	0	0	0	114.6
464	S	33.1	Very low	32.4	Very low	93 Å²	93	141.2 Å²	141.2	65%	0.65	76%	0.764	S	S	*	*			trans	-131.3	164.8	-175.4	58.7	0	0	0	0	113.3
465	N	30.2	Very low	32.8	Very low	158 Å²	158	141.6 Å²	141.6	85%	0.845	77%	0.766	S	S	*	*			trans	62.9	106.8	162	-62.1	-22	0	0	0	119.3
466	A	33.6	Very low	33.3	Very low	105 Å²	105	139.6 Å²	139.6	87%	0.868	76%	0.763	S	S	*	*			trans	-145.8	110.3	145.3	0	0	0	0	0	110.5
467	K	29.2	Very low	33.5	Very low	200 Å²	200	142.5 Å²	142.5	87%	0.87	76%	0.762	S	S	*	*			trans	-82.3	135.1	155.3	-77.6	-178.5	175.7	-179.3	0	107.3
468	L	34.6	Very low	33.8	Very low	176 Å²	176	150.1 Å²	150.1	92%	0.921	78%	0.776	S	S	*	*			trans	-140.5	154.7	150.8	-97	173.2	0	0	0	109.5
469	N	32.1	Very low	34	Very low	136 Å²	136	150 Å²	150	73%	0.727	78%	0.78	S	S	*	*			trans	-97.3	163	-161.1	-75.7	-14.9	0	0	0	113
470	P	32.9	Very low	34.1	Very low	116 Å²	116	147 Å²	147	75%	0.753	78%	0.776	S	S	*	*			trans	-71.7	159.1	172.6	32.2	-37.3	0	0	0	112.7
471	I	36.6	Very low	34.2	Very low	151 Å²	151	151.3 Å²	151.3	77%	0.774	79%	0.786	S	S	*	*			trans	-134.3	107.5	165.3	-61.8	177.9	0	0	0	102.4
472	E	38.2	Very low	34.4	Very low	157 Å²	157	147.9 Å²	147.9	73%	0.734	78%	0.783	S	S	*	*				63.3	107.5	83.1	-66.1	176.2	170.1	0	0	110.3
473	E	36.2	Very low	34.7	Very low	167 Å²	167	146 Å²	146	78%	0.78	79%	0.786	S	S	*	*				83.9	127.5	95.6	-156.4	163.2	-144.5	0	0	109.4
474	E	35.3	Very low	35	Very low	173 Å²	173	145 Å²	145	81%	0.808	78%	0.781	S	S	*	*				-138.1	163.3	52.4	-79.1	-174.4	102.7	0	0	117.5
475	T	35.7	Very low	35.4	Very low	103 Å²	103	145.5 Å²	145.5	63%	0.632	78%	0.781	S	S	*	*			trans	-20.8	158.2	156.2	79.3	0	0	0	0	118
476	S	36.5	Very low	35.8	Very low	97 Å²	97	146.7 Å²	146.7	68%	0.678	78%	0.775	S	S	*	*			cis	-164.9	131.5	47.9	-163.2	0	0	0	0	117.6
477	K	36.7	Very low	36.2	Very low	188 Å²	188	145.3 Å²	145.3	82%	0.817	76%	0.759	S	S	*	*			trans	14.9	113.2	146.8	-61.2	163.1	-178.5	164.3	0	118.9
478	R	35.6	Very low	36.8	Very low	252 Å²	252	141 Å²	141	95%	0.951	75%	0.745	S	S	*	*				-165.5	137.4	128.4	-111.6	167.8	-168.1	-159.3	3.2	115.3
479	S	33.8	Very low	37.1	Very low	124 Å²	124	137.8 Å²	137.8	87%	0.867	73%	0.725	S	S	*	*			trans	62.6	138.2	164.1	-155.8	0	0	0	0	119.8
480	A	32.5	Very low	37.4	Very low	83 Å²	83	133.9 Å²	133.9	69%	0.686	71%	0.712	S	S	*	*			trans	-99.3	-179.5	171.3	0	0	0	0	0	112
481	K	36.3	Very low	37.9	Very low	208 Å²	208	132.3 Å²	132.3	90%	0.904	70%	0.7	S	S	*	*			trans	86.6	77.9	174.8	-54	176	178.3	177.7	0	117
482	S	38.7	Very low	38.2	Very low	101 Å²	101	130.2 Å²	130.2	71%	0.706	69%	0.69	S	S	*	*			trans	-156.1	11.5	166.8	55.5	0	0	0	0	116.2
483	S	38.2	Very low	38.6	Very low	101 Å²	101	127.8 Å²	127.8	71%	0.706	68%	0.679	S	S	*	*	S	Bend	trans	-90.6	-13.4	-166.4	53.2	0	0	0	0	117.2
484	E	39.1	Very low	39.3	Very low	155 Å²	155	124.6 Å²	124.6	72%	0.724	66%	0.664	S	S	*	*	S	Bend	trans	-89	-14.2	-173.5	-65.3	-175.6	134.2	0	0	114.5	N488	E484-N488 PolarHBondContact O-ND2 3.01Å
485	T	41.1	Very low	39.9	Very low	105 Å²	105	118.3 Å²	118.3	64%	0.644	65%	0.645	S	S	*	*	H	α-helix	trans	-69.8	-47	-172.3	-45.4	0	0	0	0	112.3	S487 N488	T485-S487 VanDerWaalsContact C-N 3.33Å; T485-S487 PolarHBondContact O-N 3.28Å; T485-N488 PolarHBondContact O-N 3.3Å
486	Y	38.6	Very low	40.9	Very low	183 Å²	183	116.2 Å²	116.2	72%	0.718	63%	0.633	S	S	*	*	H	α-helix	trans	-66.6	-29.6	-175.1	-70.4	-76.6	0	0	0	114	N488 E489 A490	Y486-N488 VanDerWaalsContact C-N 3.29Å; Y486-N488 PolarHBondContact O-N 3.3Å; Y486-E489 PolarHBondContact O-N 3.44Å; Y486-A490 PolarHBondContact O-N 3.07Å
487	S	42	Very low	42	Very low	76 Å²	76	117.4 Å²	117.4	53%	0.531	63%	0.627	S	S	.	*	H	α-helix	trans	-63.9	-34.5	179.6	-46.7	0	0	0	0	112.9	T485 T491	T485-S487 VanDerWaalsContact C-N 3.33Å; T485-S487 PolarHBondContact O-N 3.28Å; S487-T491 PolarHBondContact O-N 2.95Å; S487-T491 PolarHBondContact O-OG1 3.3Å
488	N	43.1	Very low	43	Very low	108 Å²	108	115.7 Å²	115.7	58%	0.578	62%	0.616	S	S	*	*	H	α-helix	trans	-75.9	-33.7	-177	-71.6	-64.8	0	0	0	112.3	E484 T485 Y486 T491 L492	E484-N488 PolarHBondContact O-ND2 3.01Å; T485-N488 PolarHBondContact O-N 3.3Å; Y486-N488 VanDerWaalsContact C-N 3.29Å; Y486-N488 PolarHBondContact O-N 3.3Å; N488-T491 WeakPolarHBondContact CA-OG1 3.41Å; N488-T491 PolarHBondContact O-OG1 3.5Å; N488-T491 VanDerWaalsContact O-OG1 3.13Å; N488-L492 VanDerWaalsContact O-CB 3.28Å; N488-L492 WeakPolarHBondContact O-CB 3.36Å; N488-L492 PolarHBondContact O-N 2.72Å
489	E	40.2	Very low	44.1	Very low	110 Å²	110	105 Å²	105	51%	0.514	58%	0.581	S	S	.	*	H	α-helix	trans	-73.1	-41.4	179.7	-171.7	165.2	-157.8	0	0	112	Y486 T491 L492 Q493	Y486-E489 PolarHBondContact O-N 3.44Å; E489-T491 VanDerWaalsContact C-N 3.34Å; E489-T491 PolarHBondContact O-N 3.21Å; E489-L492 WeakPolarHBondContact O-CB 3.23Å; E489-L492 PolarHBondContact O-N 2.85Å; E489-Q493 WeakPolarHBondContact O-CG 3.36Å; E489-Q493 PolarHBondContact O-N 3.06Å
490	A	38.6	Very low	45.3	Very low	54 Å²	54	100 Å²	100	45%	0.446	55%	0.546	S	S	.	.	H	α-helix	trans	-61.3	-40.8	174.3	0	0	0	0	0	112.5	Y486 Q494	Y486-A490 PolarHBondContact O-N 3.07Å; A490-Q494 WeakPolarHBondContact O-CG 3.36Å; A490-Q494 PolarHBondContact O-N 3.06Å; A490-Q494 VanDerWaalsContact O-N 3.1Å
491	T	43.9	Very low	46.8	Very low	82 Å²	82	101 Å²	101	50%	0.503	54%	0.539	S	S	.	.	H	α-helix	trans	-71.9	-33.7	175.8	40.6	0	0	0	0	112.8	S487 N488 E489 G495	S487-T491 PolarHBondContact O-N 2.95Å; S487-T491 PolarHBondContact O-OG1 3.3Å; N488-T491 WeakPolarHBondContact CA-OG1 3.41Å; N488-T491 PolarHBondContact O-OG1 3.5Å; N488-T491 VanDerWaalsContact O-OG1 3.13Å; E489-T491 VanDerWaalsContact C-N 3.34Å; E489-T491 PolarHBondContact O-N 3.21Å; T491-G495 PolarHBondContact O-N 3.21Å
492	L	42.6	Very low	48	Very low	107 Å²	107	93 Å²	93	56%	0.56	51%	0.507	S	S	*	.	H	α-helix	trans	-62.1	-47.3	172	-175.1	67.9	0	0	0	111.5	N488 E489 G495 T496	N488-L492 VanDerWaalsContact O-CB 3.28Å; N488-L492 WeakPolarHBondContact O-CB 3.36Å; N488-L492 PolarHBondContact O-N 2.72Å; E489-L492 WeakPolarHBondContact O-CB 3.23Å; E489-L492 PolarHBondContact O-N 2.85Å; L492-G495 PolarHBondContact O-N 3.49Å; L492-G495 VanDerWaalsContact O-N 3.14Å; L492-T496 PolarHBondContact O-N 3.2Å; L492-T496 VanDerWaalsContact O-N 3.09Å; L492-T496 PolarHBondContact O-OG1 3.22Å
493	Q	46.3	Very low	49.3	Very low	106 Å²	106	89 Å²	89	50%	0.495	48%	0.476	S	S	.	.	H	α-helix	trans	-62.3	-43.6	177.4	-69.7	-176	16.9	0	0	112	E489 G495 T496 Q497	E489-Q493 WeakPolarHBondContact O-CG 3.36Å; E489-Q493 PolarHBondContact O-N 3.06Å; Q493-G495 VanDerWaalsContact C-N 3.27Å; Q493-G495 PolarHBondContact O-N 3.18Å; Q493-T496 PolarHBondContact O-N 3.46Å; Q493-Q497 WeakPolarHBondContact O-CB 3.37Å; Q493-Q497 WeakPolarHBondContact O-CG 3.44Å; Q493-Q497 PolarHBondContact O-N 2.99Å
494	Q	50.5	Low	50.6	Low	101 Å²	101	86.4 Å²	86.4	47%	0.472	45%	0.454	S	S	.	.	H	α-helix	trans	-60.3	-35.6	173.1	-74.9	-174.7	7.5	0	0	112.7	A490 R498	A490-Q494 WeakPolarHBondContact O-CG 3.36Å; A490-Q494 PolarHBondContact O-N 3.06Å; A490-Q494 VanDerWaalsContact O-N 3.1Å; Q494-R498 WeakPolarHBondContact O-CB 3.1Å; Q494-R498 VanDerWaalsContact O-CG 3.3Å; Q494-R498 WeakPolarHBondContact O-CG 3.44Å; Q494-R498 PolarHBondContact O-N 3.47Å
495	G	47.2	Very low	51.9	Low	40 Å²	40	79.6 Å²	79.6	41%	0.412	42%	0.423	S	S	.	.	H	α-helix	trans	-61.2	-51.9	174.8	0	0	0	0	0	112.2	T491 L492 Q493 R498 A499	T491-G495 PolarHBondContact O-N 3.21Å; L492-G495 PolarHBondContact O-N 3.49Å; L492-G495 VanDerWaalsContact O-N 3.14Å; Q493-G495 VanDerWaalsContact C-N 3.27Å; Q493-G495 PolarHBondContact O-N 3.18Å; G495-R498 PolarHBondContact O-N 2.91Å; G495-A499 PolarHBondContact O-N 3.07Å
496	T	58.3	Low	53	Low	60 Å²	60	74.6 Å²	74.6	37%	0.368	39%	0.393	S	S	.	.	H	α-helix	trans	-64.5	-42.8	179.3	-52.7	0	0	0	0	112.1	L492 Q493 R498 A499 S500	L492-T496 PolarHBondContact O-N 3.2Å; L492-T496 VanDerWaalsContact O-N 3.09Å; L492-T496 PolarHBondContact O-OG1 3.22Å; Q493-T496 PolarHBondContact O-N 3.46Å; T496-R498 PolarHBondContact O-N 3.45Å; T496-A499 PolarHBondContact O-N 3.47Å; T496-S500 PolarHBondContact O-N 2.85Å
497	Q	58.8	Low	54.3	Low	121 Å²	121	65.9 Å²	65.9	57%	0.565	36%	0.359	S	S	*	.	H	α-helix	trans	-60.2	-45	175.4	-72.9	174.9	0.4	0	0	111.8	Q493 A499 S500 L501	Q493-Q497 WeakPolarHBondContact O-CB 3.37Å; Q493-Q497 WeakPolarHBondContact O-CG 3.44Å; Q493-Q497 PolarHBondContact O-N 2.99Å; Q497-A499 VanDerWaalsContact C-N 3.34Å; Q497-A499 PolarHBondContact O-N 3.13Å; Q497-S500 PolarHBondContact O-N 3.27Å; Q497-L501 WeakPolarHBondContact O-CB 3.36Å; Q497-L501 WeakPolarHBondContact O-CG 3.34Å; Q497-L501 PolarHBondContact O-N 3.25Å
498	R	58.1	Low	55.3	Low	153 Å²	153	62.4 Å²	62.4	58%	0.577	33%	0.334	S	S	*	.	H	α-helix	trans	-62.4	-39.2	174.8	-78.2	174.3	168.3	165.8	-1.4	112.2	Q494 G495 T496 L502	Q494-R498 WeakPolarHBondContact O-CB 3.1Å; Q494-R498 VanDerWaalsContact O-CG 3.3Å; Q494-R498 WeakPolarHBondContact O-CG 3.44Å; Q494-R498 PolarHBondContact O-N 3.47Å; G495-R498 PolarHBondContact O-N 2.91Å; T496-R498 PolarHBondContact O-N 3.45Å; R498-L502 WeakPolarHBondContact O-CB 3.49Å; R498-L502 VanDerWaalsContact O-CG 3.26Å; R498-L502 WeakPolarHBondContact O-CG 3.21Å; R498-L502 PolarHBondContact O-N 3.15Å
499	A	58.1	Low	56.2	Low	28 Å²	28	60.6 Å²	60.6	23%	0.231	32%	0.32	C	S	.	.	H	α-helix	trans	-63.1	-49.5	175.7	0	0	0	0	0	111.8	G495 T496 Q497 L501 L502 Y503	G495-A499 PolarHBondContact O-N 3.07Å; T496-A499 PolarHBondContact O-N 3.47Å; Q497-A499 VanDerWaalsContact C-N 3.34Å; Q497-A499 PolarHBondContact O-N 3.13Å; A499-L501 PolarHBondContact O-N 3.41Å; A499-L502 WeakPolarHBondContact O-CB 3.34Å; A499-L502 PolarHBondContact O-N 3.15Å; A499-L502 VanDerWaalsContact O-N 3.1Å; A499-Y503 HydrophobicContact CB-CE2 4.28Å; A499-Y503 WeakPolarHBondContact O-CD1 3.42Å; A499-Y503 WeakPolarHBondContact O-CD2 3.41Å; A499-Y503 VanDerWaalsContact O-CG 3.26Å; A499-Y503 PolarHBondContact O-N 2.97Å
500	S	59.9	Low	57.2	Low	19 Å²	19	55.5 Å²	55.5	13%	0.133	30%	0.296	C	S	.	.	H	α-helix	trans	-65	-37.3	-179.9	-153.2	0	0	0	0	112.3	T496 Q497 Y503 L504 D835 R838	T496-S500 PolarHBondContact O-N 2.85Å; Q497-S500 PolarHBondContact O-N 3.27Å; S500-Y503 PolarHBondContact O-N 2.8Å; S500-L504 WeakPolarHBondContact O-CB 2.99Å; S500-L504 WeakPolarHBondContact O-CG 3.35Å; S500-L504 PolarHBondContact O-N 3.26Å; S500-D835 WeakPolarHBondContact CB-OD1 3.46Å; S500-D835 PolarHBondContact OG-OD1 3.41Å; S500-R838 PolarHBondContact OG-NH1 3.16Å
501	L	63	Low	58.3	Low	102 Å²	102	54.5 Å²	54.5	53%	0.534	29%	0.286	S	S	.	.	H	α-helix	trans	-64	-37.8	170.7	-72.9	171.4	0	0	0	113.1	Q497 A499 S505	Q497-L501 WeakPolarHBondContact O-CB 3.36Å; Q497-L501 WeakPolarHBondContact O-CG 3.34Å; Q497-L501 PolarHBondContact O-N 3.25Å; A499-L501 PolarHBondContact O-N 3.41Å; L501-S505 WeakPolarHBondContact O-CB 3.31Å; L501-S505 PolarHBondContact O-N 2.81Å; L501-S505 PolarHBondContact O-OG 3Å
502	L	62.7	Low	59	Low	42 Å²	42	56.9 Å²	56.9	22%	0.22	29%	0.291	C	S	.	.	H	α-helix	trans	-66.1	-37.2	172.9	-74.7	172.8	0	0	0	111.7	R498 A499 S505 T506	R498-L502 WeakPolarHBondContact O-CB 3.49Å; R498-L502 VanDerWaalsContact O-CG 3.26Å; R498-L502 WeakPolarHBondContact O-CG 3.21Å; R498-L502 PolarHBondContact O-N 3.15Å; A499-L502 WeakPolarHBondContact O-CB 3.34Å; A499-L502 PolarHBondContact O-N 3.15Å; A499-L502 VanDerWaalsContact O-N 3.1Å; L502-S505 PolarHBondContact O-OG 3.42Å; L502-T506 VanDerWaalsContact O-CB 3.27Å; L502-T506 WeakPolarHBondContact O-CB 3.38Å; L502-T506 PolarHBondContact O-N 2.65Å; L502-T506 VanDerWaalsContact O-N 3.13Å; L502-T506 PolarHBondContact O-OG1 3.13Å
503	Y	65.2	Low	59.4	Low	16 Å²	16	55.4 Å²	55.4	6%	0.063	28%	0.284	C	S	.	.	H	α-helix	trans	-64.4	-55.2	173.5	-54.9	-29.3	0	0	0	110.9	F339 A499 S500 S505 T506 I507 D835 R838 V839 L842	F339-Y503 HydrophobicContact CD2-CE1 4.2Å; F339-Y503 HydrophobicContact CE1-CD1 4.18Å; F339-Y503 HydrophobicContact CE1-CE1 4.06Å; F339-Y503 HydrophobicContact CE2-CD1 4.49Å; F339-Y503 AromaticContact CE2-CE1 3.65Å; F339-Y503 HydrophobicContact CE2-CE1 3.65Å; F339-Y503 HydrophobicContact CZ-CD1 4.16Å; F339-Y503 AromaticContact CZ-CE1 3.58Å; F339-Y503 HydrophobicContact CZ-CE1 3.58Å; A499-Y503 HydrophobicContact CB-CE2 4.28Å; A499-Y503 WeakPolarHBondContact O-CD1 3.42Å; A499-Y503 WeakPolarHBondContact O-CD2 3.41Å; A499-Y503 VanDerWaalsContact O-CG 3.26Å; A499-Y503 PolarHBondContact O-N 2.97Å; S500-Y503 PolarHBondContact O-N 2.8Å; Y503-S505 PolarHBondContact O-N 2.68Å; Y503-T506 PolarHBondContact O-N 2.83Å; Y503-T506 VanDerWaalsContact O-N 3.09Å; Y503-I507 VanDerWaalsContact O-CG1 3.32Å; Y503-I507 WeakPolarHBondContact O-CG1 3.33Å; Y503-I507 PolarHBondContact O-N 3.5Å; Y503-D835 HydrophobicContact CE2-CB 4.3Å; Y503-R838 HydrophobicContact CD2-CB 4.41Å; Y503-V839 HydrophobicContact CD1-CG2 4.25Å; Y503-V839 HydrophobicContact CD2-CG2 4.16Å; Y503-V839 HydrophobicContact CE1-CG2 3.73Å; Y503-V839 HydrophobicContact CE2-CG2 3.62Å; Y503-V839 HydrophobicContact CG-CG2 4.46Å; Y503-L842 HydrophobicContact CD1-CD1 3.76Å; Y503-L842 HydrophobicContact CG-CD1 4.08Å
504	L	65.5	Low	59.8	Low	47 Å²	47	52.7 Å²	52.7	25%	0.246	27%	0.27	C	S	.	.	H	α-helix	trans	-56.8	-45.4	-178.3	-73.8	172.1	0	0	0	112.8	S500 T506 G508 L868	S500-L504 WeakPolarHBondContact O-CB 2.99Å; S500-L504 WeakPolarHBondContact O-CG 3.35Å; S500-L504 PolarHBondContact O-N 3.26Å; L504-T506 PolarHBondContact O-N 3.09Å; L504-G508 PolarHBondContact O-N 2.89Å; L504-L868 HydrophobicContact CD2-CD2 4.04Å; L504-L868 VanDerWaalsContact CD2-O 3.31Å; L504-L868 WeakPolarHBondContact CD2-O 3.36Å; L504-L868 WeakPolarHBondContact O-CD2 3.47Å
505	S	65.6	Low	59.5	Low	11 Å²	11	50.4 Å²	50.4	8%	0.077	26%	0.264	C	S	.	.	H	α-helix	trans	-69.4	-30.4	177.5	54.5	0	0	0	0	113.5	R343 L501 L502 Y503 Y509	R343-S505 PolarHBondContact NH2-OG 3.1Å; L501-S505 WeakPolarHBondContact O-CB 3.31Å; L501-S505 PolarHBondContact O-N 2.81Å; L501-S505 PolarHBondContact O-OG 3Å; L502-S505 PolarHBondContact O-OG 3.42Å; Y503-S505 PolarHBondContact O-N 2.68Å; S505-Y509 WeakPolarHBondContact O-CB 3.46Å; S505-Y509 PolarHBondContact O-N 2.76Å
506	T	64.9	Low	59.5	Low	1 Å²	1	58.6 Å²	58.6	1%	0.006	29%	0.288	C	S	.	.	H	α-helix	trans	-75.9	-44.1	176	-54.5	0	0	0	0	110.9	L342 L346 L502 Y503 L504 Y509 I510 L842	L342-T506 HydrophobicContact CD2-CG2 3.99Å; L346-T506 HydrophobicContact CD1-CG2 4.45Å; L502-T506 VanDerWaalsContact O-CB 3.27Å; L502-T506 WeakPolarHBondContact O-CB 3.38Å; L502-T506 PolarHBondContact O-N 2.65Å; L502-T506 VanDerWaalsContact O-N 3.13Å; L502-T506 PolarHBondContact O-OG1 3.13Å; Y503-T506 PolarHBondContact O-N 2.83Å; Y503-T506 VanDerWaalsContact O-N 3.09Å; L504-T506 PolarHBondContact O-N 3.09Å; T506-Y509 PolarHBondContact O-N 3.16Å; T506-I510 HydrophobicContact CG2-CD1 4.02Å; T506-I510 WeakPolarHBondContact O-CB 3.21Å; T506-I510 VanDerWaalsContact O-CG1 3.23Å; T506-I510 WeakPolarHBondContact O-CG1 3.43Å; T506-I510 PolarHBondContact O-N 2.89Å; T506-L842 HydrophobicContact CG2-CD2 3.75Å
507	I	66.9	Low	58.8	Low	0 Å²	0	59.6 Å²	59.6	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-61.7	-45.3	172.9	-61	166.6	0	0	0	109.6	Y503 Y509 I510 C511 R838 L841 L842 L864 L868	Y503-I507 VanDerWaalsContact O-CG1 3.32Å; Y503-I507 WeakPolarHBondContact O-CG1 3.33Å; Y503-I507 PolarHBondContact O-N 3.5Å; I507-Y509 PolarHBondContact O-N 2.87Å; I507-I510 CarbonylContact O-C 3.51Å; I507-I510 WeakPolarHBondContact O-CA 3.34Å; I507-I510 PolarHBondContact O-N 2.98Å; I507-I510 VanDerWaalsContact O-N 3.09Å; I507-C511 PolarHBondContact O-N 3.45Å; I507-C511 PolarHBondContact O-SG 3.36Å; I507-R838 HydrophobicContact CD1-CB 4.03Å; I507-R838 HydrophobicContact CD1-CG 3.98Å; I507-L841 HydrophobicContact CD1-CD2 4.36Å; I507-L841 HydrophobicContact CG2-CD2 4.49Å; I507-L842 HydrophobicContact CD1-CD1 4.25Å; I507-L842 HydrophobicContact CD1-CG 4.14Å; I507-L842 HydrophobicContact CG1-CD1 4.07Å; I507-L842 HydrophobicContact CG1-CD2 3.68Å; I507-L842 HydrophobicContact CG1-CG 3.69Å; I507-L864 HydrophobicContact CG2-CD2 3.71Å; I507-L868 HydrophobicContact CB-CD2 3.82Å; I507-L868 HydrophobicContact CB-CG 4.38Å; I507-L868 HydrophobicContact CG2-CD1 4.09Å; I507-L868 HydrophobicContact CG2-CD2 3.7Å; I507-L868 HydrophobicContact CG2-CG 3.7Å
508	G	62.1	Low	58.1	Low	2 Å²	2	56.7 Å²	56.7	2%	0.021	28%	0.282	C	S	.	.	H	α-helix	trans	-61.8	-41.9	179	0	0	0	0	0	112.9	L504 C511 H512	L504-G508 PolarHBondContact O-N 2.89Å; G508-C511 PolarHBondContact O-N 3.24Å; G508-H512 PolarHBondContact O-CD2 3.21Å; G508-H512 VanDerWaalsContact O-CD2 3.24Å; G508-H512 PolarHBondContact O-N 3.34Å
509	Y	62	Low	57.7	Low	70 Å²	70	53.1 Å²	53.1	28%	0.275	27%	0.274	S	S	.	.	H	α-helix	trans	-62.3	-44.3	170.8	179.9	-95.6	0	0	0	111.8	L346 L348 S505 T506 I507 C511 H512 N513	L346-Y509 HydrophobicContact CB-CE1 4.21Å; L348-Y509 HydrophobicContact CD1-CD1 3.72Å; L348-Y509 HydrophobicContact CD1-CD2 4.28Å; L348-Y509 HydrophobicContact CD1-CE1 4.18Å; L348-Y509 HydrophobicContact CD1-CG 3.77Å; L348-Y509 HydrophobicContact CD2-CD1 4.4Å; L348-Y509 HydrophobicContact CD2-CD2 3.6Å; L348-Y509 HydrophobicContact CD2-CE1 4.47Å; L348-Y509 HydrophobicContact CD2-CE2 3.67Å; L348-Y509 HydrophobicContact CD2-CG 3.98Å; L348-Y509 HydrophobicContact CG-CD1 4.16Å; L348-Y509 HydrophobicContact CG-CD2 4.25Å; L348-Y509 HydrophobicContact CG-CE1 4.17Å; L348-Y509 HydrophobicContact CG-CE2 4.24Å; L348-Y509 HydrophobicContact CG-CG 4.2Å; S505-Y509 WeakPolarHBondContact O-CB 3.46Å; S505-Y509 PolarHBondContact O-N 2.76Å; T506-Y509 PolarHBondContact O-N 3.16Å; I507-Y509 PolarHBondContact O-N 2.87Å; Y509-C511 VanDerWaalsContact C-N 3.31Å; Y509-C511 PolarHBondContact O-N 2.83Å; Y509-H512 PolarHBondContact O-N 2.78Å; Y509-N513 WeakPolarHBondContact CD2-ND2 3.1Å; Y509-N513 HydrophobicContact CE1-CB 4.15Å; Y509-N513 WeakPolarHBondContact CE2-ND2 3.31Å; Y509-N513 WeakPolarHBondContact O-CB 3.43Å; Y509-N513 PolarHBondContact O-N 3.01Å; Y509-N513 PolarHBondContact O-ND2 3.32Å
510	I	61.5	Low	57.5	Low	4 Å²	4	51.9 Å²	51.9	2%	0.021	26%	0.264	C	S	.	.	H	α-helix	trans	-64.6	-33.6	177.4	-67.2	166.4	0	0	0	111.3	L346 T506 I507 N513 F514 L842 L845 M849	L346-I510 HydrophobicContact CD1-CD1 4.34Å; L346-I510 HydrophobicContact CD1-CG1 4.29Å; T506-I510 HydrophobicContact CG2-CD1 4.02Å; T506-I510 WeakPolarHBondContact O-CB 3.21Å; T506-I510 VanDerWaalsContact O-CG1 3.23Å; T506-I510 WeakPolarHBondContact O-CG1 3.43Å; T506-I510 PolarHBondContact O-N 2.89Å; I507-I510 CarbonylContact O-C 3.51Å; I507-I510 WeakPolarHBondContact O-CA 3.34Å; I507-I510 PolarHBondContact O-N 2.98Å; I507-I510 VanDerWaalsContact O-N 3.09Å; I510-N513 CarbonylContact O-C 3.36Å; I510-F514 HydrophobicContact CG2-CD2 3.72Å; I510-F514 HydrophobicContact CG2-CE2 4.18Å; I510-F514 VanDerWaalsContact O-CA 3.31Å; I510-F514 WeakPolarHBondContact O-CA 3.28Å; I510-F514 VanDerWaalsContact O-CB 3.23Å; I510-F514 WeakPolarHBondContact O-CB 3.46Å; I510-F514 PolarHBondContact O-N 2.9Å; I510-L842 HydrophobicContact CD1-CD2 4.1Å; I510-L845 HydrophobicContact CB-CD1 4.38Å; I510-L845 HydrophobicContact CD1-CD1 4.16Å; I510-L845 HydrophobicContact CG2-CD1 3.82Å; I510-L845 HydrophobicContact CG2-CD2 3.93Å; I510-L845 HydrophobicContact CG2-CG 4.33Å; I510-M849 HydrophobicContact CD1-SD 4.31Å; I510-M849 HydrophobicContact CG1-SD 4.17Å; I510-M849 HydrophobicContact CG2-SD 4.23Å
511	C	61.8	Low	57.5	Low	32 Å²	32	52.4 Å²	52.4	22%	0.216	26%	0.263	C	S	.	.	H	α-helix	trans	-70.7	-41.9	173.9	-68.2	0	0	0	0	112.5	I507 G508 Y509 N513 L868	I507-C511 PolarHBondContact O-N 3.45Å; I507-C511 PolarHBondContact O-SG 3.36Å; G508-C511 PolarHBondContact O-N 3.24Å; Y509-C511 VanDerWaalsContact C-N 3.31Å; Y509-C511 PolarHBondContact O-N 2.83Å; C511-N513 VanDerWaalsContact C-N 3.33Å; C511-L868 HydrophobicContact CB-CD1 4.36Å
512	H	58	Low	57.2	Low	133 Å²	133	49.4 Å²	49.4	62%	0.616	24%	0.244	S	C	*	.	H	α-helix	trans	-71.3	-26.2	176.7	-79.5	-60.4	0	0	0	113.9	G508 Y509	G508-H512 PolarHBondContact O-CD2 3.21Å; G508-H512 VanDerWaalsContact O-CD2 3.24Å; G508-H512 PolarHBondContact O-N 3.34Å; Y509-H512 PolarHBondContact O-N 2.78Å
513	N	51	Low	57	Low	76 Å²	76	54 Å²	54	41%	0.406	26%	0.259	S	S	.	.	S	Bend	trans	-113.6	10.5	-178.2	-61.4	-95.1	0	0	0	112.4	Y509 I510 C511 P515	Y509-N513 WeakPolarHBondContact CD2-ND2 3.1Å; Y509-N513 HydrophobicContact CE1-CB 4.15Å; Y509-N513 WeakPolarHBondContact CE2-ND2 3.31Å; Y509-N513 WeakPolarHBondContact O-CB 3.43Å; Y509-N513 PolarHBondContact O-N 3.01Å; Y509-N513 PolarHBondContact O-ND2 3.32Å; I510-N513 CarbonylContact O-C 3.36Å; C511-N513 VanDerWaalsContact C-N 3.33Å; N513-P515 VanDerWaalsContact O-CA 3.31Å; N513-P515 WeakPolarHBondContact O-CA 3.5Å; N513-P515 WeakPolarHBondContact O-CD 3.4Å
514	F	54.6	Low	56.8	Low	48 Å²	48	60.1 Å²	60.1	21%	0.211	28%	0.282	C	S	.	.	S	Bend	trans	-64.3	113.8	168.7	-140.2	-91.3	0	0	0	105.5	I510 L845 M849 Y854 I856	I510-F514 HydrophobicContact CG2-CD2 3.72Å; I510-F514 HydrophobicContact CG2-CE2 4.18Å; I510-F514 VanDerWaalsContact O-CA 3.31Å; I510-F514 WeakPolarHBondContact O-CA 3.28Å; I510-F514 VanDerWaalsContact O-CB 3.23Å; I510-F514 WeakPolarHBondContact O-CB 3.46Å; I510-F514 PolarHBondContact O-N 2.9Å; F514-L845 HydrophobicContact CE2-CD2 4.08Å; F514-M849 HydrophobicContact CE2-CG 4.16Å; F514-Y854 HydrophobicContact CE1-CD1 4.42Å; F514-Y854 HydrophobicContact CE1-CE1 4.17Å; F514-Y854 AromaticContact CZ-CD1 3.98Å; F514-Y854 HydrophobicContact CZ-CD1 3.98Å; F514-Y854 AromaticContact CZ-CE1 3.7Å; F514-Y854 HydrophobicContact CZ-CE1 3.7Å; F514-I856 HydrophobicContact CB-CD1 4.23Å; F514-I856 HydrophobicContact CD1-CB 4.32Å; F514-I856 HydrophobicContact CD1-CD1 3.47Å; F514-I856 VanDerWaalsContact CD1-CD1 3.47Å; F514-I856 HydrophobicContact CD1-CG1 3.83Å; F514-I856 HydrophobicContact CD2-CD1 3.48Å; F514-I856 VanDerWaalsContact CD2-CD1 3.48Å; F514-I856 HydrophobicContact CD2-CG1 4.43Å; F514-I856 HydrophobicContact CE1-CB 4.27Å; F514-I856 HydrophobicContact CE1-CD1 3.65Å; F514-I856 HydrophobicContact CE1-CG1 3.58Å; F514-I856 HydrophobicContact CE2-CD1 3.66Å; F514-I856 HydrophobicContact CE2-CG1 4.21Å; F514-I856 HydrophobicContact CG-CD1 3.39Å; F514-I856 HydrophobicContact CG-CG1 4.26Å; F514-I856 HydrophobicContact CZ-CD1 3.75Å; F514-I856 HydrophobicContact CZ-CG1 3.8Å
515	P	44	Very low	56.5	Low	53 Å²	53	60.4 Å²	60.4	34%	0.344	28%	0.282	S	S	.	.			trans	-74.5	162.4	-137.4	23.3	-35.5	0	0	0	111.4	N513 R517	N513-P515 VanDerWaalsContact O-CA 3.31Å; N513-P515 WeakPolarHBondContact O-CA 3.5Å; N513-P515 WeakPolarHBondContact O-CD 3.4Å; P515-R517 HydrophobicContact CB-CG 3.95Å; P515-R517 HydrophobicContact CG-CB 4.28Å; P515-R517 HydrophobicContact CG-CG 3.61Å; P515-R517 PolarHBondContact O-N 2.99Å
516	K	48.5	Very low	55.9	Low	212 Å²	212	61.3 Å²	61.3	92%	0.922	29%	0.292	S	S	*	.			trans	-66.6	35.5	169.4	-54.9	177	-175.7	177.4	0	112.3	A518	K516-A518 PolarHBondContact O-N 2.91Å
517	R	42.6	Very low	55.4	Low	82 Å²	82	70.8 Å²	70.8	31%	0.309	33%	0.328	S	S	.	.			trans	-74.3	56.2	171.9	-70.8	178.8	-165.1	170	5.6	109.4	P515 N519	P515-R517 HydrophobicContact CB-CG 3.95Å; P515-R517 HydrophobicContact CG-CB 4.28Å; P515-R517 HydrophobicContact CG-CG 3.61Å; P515-R517 PolarHBondContact O-N 2.99Å; R517-N519 PolarHBondContact O-N 3.36Å
518	A	43.5	Very low	54.4	Low	59 Å²	59	72.5 Å²	72.5	49%	0.488	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-8.1	171.5	0	0	0	0	0	113	K516	K516-A518 PolarHBondContact O-N 2.91Å
519	N	51.2	Low	53.5	Low	79 Å²	79	74.1 Å²	74.1	42%	0.422	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.8	44.7	-172	-67.5	34.7	0	0	0	112.9	R517 W522 R523	R517-N519 PolarHBondContact O-N 3.36Å; N519-W522 HydrophobicContact CB-CB 3.55Å; N519-W522 HydrophobicContact CB-CG 4.38Å; N519-R523 WeakPolarHBondContact O-CB 3.27Å; N519-R523 VanDerWaalsContact O-CD 3.27Å; N519-R523 WeakPolarHBondContact O-CD 3.48Å; N519-R523 WeakPolarHBondContact O-CG 3.05Å; N519-R523 PolarHBondContact O-N 3.2Å
520	L	53.8	Low	52.7	Low	2 Å²	2	78 Å²	78	1%	0.01	39%	0.388	C	S	.	.	S	Bend	trans	-87.2	-39.3	169	-105.8	168.6	0	0	0	112.6	W522 R523 R524 L853 E855	L520-W522 VanDerWaalsContact C-N 3.31Å; L520-W522 PolarHBondContact O-N 3.1Å; L520-R523 HydrophobicContact CD2-CB 4.15Å; L520-R523 WeakPolarHBondContact O-CB 3.28Å; L520-R523 PolarHBondContact O-N 3.18Å; L520-R524 PolarHBondContact O-N 2.93Å; L520-L853 HydrophobicContact CD2-CB 4.35Å; L520-L853 HydrophobicContact CD2-CD2 3.82Å; L520-E855 VanDerWaalsContact CB-CD 3.49Å; L520-E855 HydrophobicContact CB-CG 3.73Å; L520-E855 WeakPolarHBondContact CB-OE1 3.5Å; L520-E855 HydrophobicContact CD1-CG 3.56Å; L520-E855 HydrophobicContact CG-CG 4.24Å
521	W	58.4	Low	52	Low	30 Å²	30	83.5 Å²	83.5	11%	0.114	43%	0.426	C	S	.	.	H	α-helix	trans	-53.8	-48.6	158.7	-171	92.1	0	0	0	111.2	R523 R524 H525 M560 A568 V570 V596 P639	W521-R523 PolarHBondContact O-N 3.3Å; W521-R524 PolarHBondContact O-N 3.4Å; W521-R524 VanDerWaalsContact O-N 3.1Å; W521-H525 AromaticContact CD1-CD2 3.83Å; W521-H525 AromaticContact CD2-CD2 3.77Å; W521-H525 AromaticContact CE2-CD2 3.62Å; W521-H525 AromaticContact CG-CD2 3.95Å; W521-H525 AromaticContact NE1-CD2 3.63Å; W521-H525 AromaticContact NE1-NE2 3.83Å; W521-H525 PolarHBondContact O-CD2 3.05Å; W521-H525 PolarHBondContact O-N 3.44Å; W521-M560 HydrophobicContact CH2-CE 3.79Å; W521-M560 HydrophobicContact CZ3-CE 3.96Å; W521-A568 HydrophobicContact CH2-CB 3.86Å; W521-A568 HydrophobicContact CZ2-CB 3.5Å; W521-V570 HydrophobicContact CH2-CG1 3.51Å; W521-V570 HydrophobicContact CZ2-CG1 3.54Å; W521-V596 HydrophobicContact CB-CG2 4.28Å; W521-V596 HydrophobicContact CD2-CG2 4.19Å; W521-V596 HydrophobicContact CE3-CB 4.39Å; W521-V596 HydrophobicContact CE3-CG1 3.53Å; W521-V596 HydrophobicContact CE3-CG2 3.89Å; W521-V596 HydrophobicContact CG-CG2 4.4Å; W521-V596 HydrophobicContact CH2-CG1 4.45Å; W521-V596 HydrophobicContact CZ3-CG1 3.51Å; W521-P639 HydrophobicContact CB-CG 4.23Å; W521-P639 HydrophobicContact CG-CB 4.16Å; W521-P639 HydrophobicContact CG-CG 4.05Å
522	W	56.8	Low	51.6	Low	38 Å²	38	85.8 Å²	85.8	14%	0.144	44%	0.443	C	S	.	.	H	α-helix	trans	-65.1	-12.9	172.8	-94.7	138.6	0	0	0	114.9	N519 L520 G526 C528 M560 V562 V596 V597	N519-W522 HydrophobicContact CB-CB 3.55Å; N519-W522 HydrophobicContact CB-CG 4.38Å; L520-W522 VanDerWaalsContact C-N 3.31Å; L520-W522 PolarHBondContact O-N 3.1Å; W522-G526 WeakPolarHBondContact O-CA 3.44Å; W522-G526 PolarHBondContact O-N 3.38Å; W522-C528 HydrophobicContact CZ3-CB 4.2Å; W522-M560 HydrophobicContact CH2-CE 3.47Å; W522-M560 VanDerWaalsContact CH2-CE 3.47Å; W522-M560 HydrophobicContact CZ2-CE 4.12Å; W522-M560 HydrophobicContact CZ3-CE 4Å; W522-V562 HydrophobicContact CE3-CG1 4.26Å; W522-V562 HydrophobicContact CH2-CG1 4.3Å; W522-V562 HydrophobicContact CZ3-CG1 3.5Å; W522-V562 VanDerWaalsContact CZ3-CG1 3.5Å; W522-V596 HydrophobicContact CD2-CG1 4.11Å; W522-V596 HydrophobicContact CG-CG1 4.14Å; W522-V596 HydrophobicContact CZ2-CG1 4.07Å; W522-V596 PolarHBondContact NE1-O 3.11Å; W522-V597 HydrophobicContact CZ2-CG2 3.39Å; W522-V597 VanDerWaalsContact NE1-CG2 3.35Å
523	R	59.3	Low	52.1	Low	139 Å²	139	89 Å²	89	53%	0.525	46%	0.455	S	S	.	.	H	α-helix	trans	-88.3	-29.4	170.5	-83.7	160.7	178	-159.5	-3.9	112.4	N519 L520 W521 P852	N519-R523 WeakPolarHBondContact O-CB 3.27Å; N519-R523 VanDerWaalsContact O-CD 3.27Å; N519-R523 WeakPolarHBondContact O-CD 3.48Å; N519-R523 WeakPolarHBondContact O-CG 3.05Å; N519-R523 PolarHBondContact O-N 3.2Å; L520-R523 HydrophobicContact CD2-CB 4.15Å; L520-R523 WeakPolarHBondContact O-CB 3.28Å; L520-R523 PolarHBondContact O-N 3.18Å; W521-R523 PolarHBondContact O-N 3.3Å; R523-P852 PolarHBondContact NH1-O 2.79Å
524	R	61.2	Low	53.1	Low	145 Å²	145	87 Å²	87	55%	0.547	44%	0.444	S	S	.	.	H	α-helix	trans	-71	-52.4	172.8	-65.5	-177.3	-171.8	-166.7	4.8	110.1	L520 W521	L520-R524 PolarHBondContact O-N 2.93Å; W521-R524 PolarHBondContact O-N 3.4Å; W521-R524 VanDerWaalsContact O-N 3.1Å
525	H	59.4	Low	54.2	Low	53 Å²	53	86.4 Å²	86.4	25%	0.245	45%	0.446	C	S	.	.	S	Bend	trans	-99	-25.3	-172.4	-53.9	-71.7	0	0	0	114	W521 R527 V562	W521-H525 AromaticContact CD1-CD2 3.83Å; W521-H525 AromaticContact CD2-CD2 3.77Å; W521-H525 AromaticContact CE2-CD2 3.62Å; W521-H525 AromaticContact CG-CD2 3.95Å; W521-H525 AromaticContact NE1-CD2 3.63Å; W521-H525 AromaticContact NE1-NE2 3.83Å; W521-H525 PolarHBondContact O-CD2 3.05Å; W521-H525 PolarHBondContact O-N 3.44Å; H525-R527 PolarHBondContact O-N 2.89Å; H525-V562 HydrophobicContact CB-CB 4.01Å; H525-V562 HydrophobicContact CB-CG1 3.76Å; H525-V562 HydrophobicContact CB-CG2 4.07Å; H525-V562 WeakPolarHBondContact O-CB 3.31Å; H525-V562 WeakPolarHBondContact O-CG1 3.36Å
526	G	53.2	Low	56.1	Low	29 Å²	29	85.6 Å²	85.6	30%	0.299	44%	0.436	S	S	.	.			trans	-75.1	52	-169.9	0	0	0	0	0	117.3	W522	W522-G526 WeakPolarHBondContact O-CA 3.44Å; W522-G526 PolarHBondContact O-N 3.38Å
527	R	52.6	Low	57.7	Low	200 Å²	200	84.7 Å²	84.7	76%	0.755	43%	0.432	S	S	*	.			trans	-86.9	4.3	153	-62.4	-167.2	-175.9	-157.1	6.7	112.3	H525 G529 V562	H525-R527 PolarHBondContact O-N 2.89Å; R527-G529 PolarHBondContact O-N 2.58Å; R527-V562 CarbonylContact C-O 3.47Å
528	C	46.9	Very low	59.6	Low	36 Å²	36	84.1 Å²	84.1	24%	0.243	44%	0.435	C	S	.	.	S	Bend	trans	-53.8	133	168	-160.8	0	0	0	0	109.1	W522 T530 V562	W522-C528 HydrophobicContact CZ3-CB 4.2Å; C528-T530 PolarHBondContact O-N 2.71Å; C528-V562 VanDerWaalsContact CA-O 3.3Å; C528-V562 WeakPolarHBondContact CA-O 3.48Å; C528-V562 HydrophobicContact CB-CB 4.47Å; C528-V562 HydrophobicContact CB-CG1 3.77Å; C528-V562 PolarHBondContact N-O 2.81Å
529	G	42.3	Very low	61.6	Low	37 Å²	37	81.7 Å²	81.7	38%	0.381	41%	0.414	S	S	.	.			trans	-53.7	128.3	-153.4	0	0	0	0	0	113.8	R527 S531 S532	R527-G529 PolarHBondContact O-N 2.58Å; G529-S531 PolarHBondContact O-N 2.89Å; G529-S532 PolarHBondContact O-N 2.82Å; G529-S532 PolarHBondContact O-OG 2.73Å
530	T	46.8	Very low	63.3	Low	151 Å²	151	81.4 Å²	81.4	93%	0.926	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72	36.9	-176.6	56.8	0	0	0	0	114	C528	C528-T530 PolarHBondContact O-N 2.71Å
531	S	46.1	Very low	64.9	Low	119 Å²	119	82.8 Å²	82.8	83%	0.832	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-148.9	-23.7	-174.7	53.5	0	0	0	0	113.4	G529	G529-S531 PolarHBondContact O-N 2.89Å
532	S	54.1	Low	66.3	Low	80 Å²	80	88.1 Å²	88.1	56%	0.559	44%	0.443	S	S	*	.	P	Polyproline II helix	trans	-97.9	130.7	177.9	41.8	0	0	0	0	111.1	G529	G529-S532 PolarHBondContact O-N 2.82Å; G529-S532 PolarHBondContact O-OG 2.73Å
533	K	66.9	Low	67.6	Low	201 Å²	201	89 Å²	89	87%	0.874	45%	0.454	S	S	*	.	P	Polyproline II helix	trans	-74.3	125.3	166.4	-67	176.5	-178.1	173.2	0	108
534	L	72.5	Confident	68.4	Low	33 Å²	33	89.1 Å²	89.1	17%	0.173	47%	0.466	C	S	.	.	P	Polyproline II helix	trans	-57.9	138.8	168.5	-165.5	81.3	0	0	0	109.9	D538 M560 V597 M599 I637	L534-D538 WeakPolarHBondContact CA-OD2 3.49Å; L534-D538 HydrophobicContact CD1-CB 3.64Å; L534-D538 HydrophobicContact CG-CB 4.33Å; L534-M560 HydrophobicContact CD1-CE 4.49Å; L534-M560 HydrophobicContact CD1-CG 4.02Å; L534-M560 HydrophobicContact CD1-SD 3.64Å; L534-M560 HydrophobicContact CD2-SD 3.48Å; L534-M560 WeakPolarHBondContact CD2-SD 3.32Å; L534-M560 HydrophobicContact CG-SD 4.19Å; L534-V597 HydrophobicContact CD2-CB 4.41Å; L534-V597 HydrophobicContact CD2-CG1 4.5Å; L534-V597 HydrophobicContact CD2-CG2 4.12Å; L534-M599 HydrophobicContact CB-SD 4.13Å; L534-M599 HydrophobicContact CD2-SD 3.72Å; L534-M599 HydrophobicContact CG-SD 3.84Å; L534-I637 HydrophobicContact CD2-CG1 4.21Å
535	C	79.1	Confident	69.3	Low	37 Å²	37	90.2 Å²	90.2	25%	0.25	48%	0.475	C	S	.	.			trans	-133.1	170.6	175.2	71.1	0	0	0	0	111	K537 D538 M599 E601	C535-K537 PolarHBondContact O-N 3.2Å; C535-K537 VanDerWaalsContact O-N 3.13Å; C535-D538 PolarHBondContact N-OD2 3Å; C535-D538 WeakPolarHBondContact O-CB 3.35Å; C535-D538 PolarHBondContact O-N 2.92Å; C535-D538 PolarHBondContact SG-OD2 3.46Å; C535-M599 VanDerWaalsContact C-SD 3.55Å; C535-M599 VanDerWaalsContact CA-SD 3.58Å; C535-E601 WeakPolarHBondContact CA-OE1 3.41Å; C535-E601 VanDerWaalsContact CB-OE1 3.27Å; C535-E601 WeakPolarHBondContact CB-OE1 3.36Å
536	W	83.4	Confident	70.5	Confident	36 Å²	36	89.3 Å²	89.3	14%	0.136	47%	0.473	C	S	.	.	G	3₁₀ helix	trans	-55.3	-31.9	178.5	-179.3	-111	0	0	0	113.5	D538 V539 L541 A572 V574 E601 L603 L607 V635	W536-D538 PolarHBondContact O-N 3.39Å; W536-V539 PolarHBondContact O-N 2.9Å; W536-V539 VanDerWaalsContact O-N 3.11Å; W536-L541 HydrophobicContact CH2-CD1 4.33Å; W536-L541 HydrophobicContact CH2-CD2 3.89Å; W536-L541 HydrophobicContact CZ2-CD1 4.04Å; W536-L541 HydrophobicContact CZ2-CD2 4.2Å; W536-L541 HydrophobicContact CZ2-CG 4.4Å; W536-A572 HydrophobicContact CZ3-CB 4.17Å; W536-V574 HydrophobicContact CH2-CG2 3.88Å; W536-V574 HydrophobicContact CZ3-CG2 3.97Å; W536-E601 HydrophobicContact CB-CB 4.44Å; W536-E601 HydrophobicContact CB-CG 3.87Å; W536-E601 PolarHBondContact N-OE1 3.31Å; W536-L603 HydrophobicContact CB-CD2 4.1Å; W536-L603 VanDerWaalsContact CD1-CD2 3.46Å; W536-L603 HydrophobicContact CD2-CD2 3.82Å; W536-L603 HydrophobicContact CG-CD2 3.53Å; W536-L607 HydrophobicContact CZ2-CD1 4.15Å; W536-V635 HydrophobicContact CE3-CB 4.44Å; W536-V635 HydrophobicContact CE3-CG1 3.83Å; W536-V635 HydrophobicContact CE3-CG2 3.93Å; W536-V635 HydrophobicContact CZ3-CG1 3.73Å; W536-V635 HydrophobicContact CZ3-CG2 4.22Å
537	K	82.4	Confident	71.9	Confident	192 Å²	192	90.7 Å²	90.7	84%	0.835	48%	0.476	S	S	*	.	G	3₁₀ helix	trans	-68.8	-16.8	-179.6	-55.3	-176.2	-179.7	-176.1	0	113.5	C535 V539	C535-K537 PolarHBondContact O-N 3.2Å; C535-K537 VanDerWaalsContact O-N 3.13Å; K537-V539 VanDerWaalsContact C-N 3.29Å
538	D	81.3	Confident	73.3	Confident	70 Å²	70	81.9 Å²	81.9	37%	0.374	44%	0.443	S	S	.	.	G	3₁₀ helix	trans	-85.3	-4.8	176.1	-51.5	-47.4	0	0	0	112.3	L534 C535 W536	L534-D538 WeakPolarHBondContact CA-OD2 3.49Å; L534-D538 HydrophobicContact CD1-CB 3.64Å; L534-D538 HydrophobicContact CG-CB 4.33Å; C535-D538 PolarHBondContact N-OD2 3Å; C535-D538 WeakPolarHBondContact O-CB 3.35Å; C535-D538 PolarHBondContact O-N 2.92Å; C535-D538 PolarHBondContact SG-OD2 3.46Å; W536-D538 PolarHBondContact O-N 3.39Å
539	V	84.9	Confident	74.6	Confident	9 Å²	9	82.3 Å²	82.3	6%	0.055	45%	0.445	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	110.5	-180	-173.8	0	0	0	0	109	W536 K537 L541 V570 M599 I637	W536-V539 PolarHBondContact O-N 2.9Å; W536-V539 VanDerWaalsContact O-N 3.11Å; K537-V539 VanDerWaalsContact C-N 3.29Å; V539-L541 HydrophobicContact CG1-CD2 4.34Å; V539-V570 HydrophobicContact CG1-CG2 4.36Å; V539-M599 HydrophobicContact CG2-CE 4.27Å; V539-I637 HydrophobicContact CG2-CD1 3.85Å
540	T	87.7	Confident	76.1	Confident	72 Å²	72	80.8 Å²	80.8	44%	0.442	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	125.8	175.1	-54.5	0	0	0	0	109.3	G558 F559	T540-G558 CarbonylContact O-C 3.55Å; T540-G558 WeakPolarHBondContact O-CA 3.47Å; T540-F559 VanDerWaalsContact CB-CZ 3.41Å; T540-F559 HydrophobicContact CG2-CD1 4.4Å; T540-F559 HydrophobicContact CG2-CE1 3.52Å; T540-F559 HydrophobicContact CG2-CE2 4.06Å; T540-F559 HydrophobicContact CG2-CZ 3.32Å; T540-F559 PolarHBondContact N-O 3.27Å; T540-F559 WeakPolarHBondContact O-CD1 3.35Å; T540-F559 PolarHBondContact O-N 3.31Å
541	L	88.4	Confident	77.1	Confident	32 Å²	32	77 Å²	77	17%	0.168	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	139.3	180	-55	-171.9	0	0	0	110.6	W536 V539 S543 Y556 L607	W536-L541 HydrophobicContact CH2-CD1 4.33Å; W536-L541 HydrophobicContact CH2-CD2 3.89Å; W536-L541 HydrophobicContact CZ2-CD1 4.04Å; W536-L541 HydrophobicContact CZ2-CD2 4.2Å; W536-L541 HydrophobicContact CZ2-CG 4.4Å; V539-L541 HydrophobicContact CG1-CD2 4.34Å; L541-S543 PolarHBondContact O-N 2.91Å; L541-Y556 HydrophobicContact CD1-CD1 3.85Å; L541-Y556 HydrophobicContact CD1-CE1 4.25Å; L541-Y556 HydrophobicContact CD1-CG 4.02Å; L541-Y556 HydrophobicContact CD2-CG 4.37Å; L541-L607 HydrophobicContact CD1-CD2 4.44Å
542	R	87.4	Confident	78.4	Confident	141 Å²	141	71.4 Å²	71.4	53%	0.532	36%	0.358	S	S	.	.	S	Bend	trans	-71.2	-20.5	172.9	-70.6	-172.5	173.7	-160.2	-5.2	112.7	D557 F559 N569	R542-D557 PolarHBondContact N-O 2.94Å; R542-F559 HydrophobicContact CG-CD1 4.38Å; R542-N569 VanDerWaalsContact NH2-CG 3.25Å; R542-N569 PolarHBondContact NH2-OD1 3.15Å
543	S	83.5	Confident	79.6	Confident	56 Å²	56	67.6 Å²	67.6	39%	0.392	33%	0.332	S	S	.	.			trans	-159.5	145.5	-178.1	-180	0	0	0	0	110.1	L541 K545	L541-S543 PolarHBondContact O-N 2.91Å; S543-K545 PolarHBondContact O-N 3.35Å; S543-K545 PolarHBondContact OG-N 3.49Å; S543-K545 VanDerWaalsContact OG-N 3.07Å
544	N	76.7	Confident	80.4	Confident	142 Å²	142	58.1 Å²	58.1	76%	0.759	29%	0.29	S	S	*	.	S	Bend	trans	-74.3	-9.3	170.3	-65	-4.8	0	0	0	112.3
545	K	80.3	Confident	81.1	Confident	169 Å²	169	56.5 Å²	56.5	74%	0.735	28%	0.282	S	S	*	.	S	Bend	trans	-90	130.7	172.5	-62.3	-178.1	179.5	179.1	0	109.6	S543	S543-K545 PolarHBondContact O-N 3.35Å; S543-K545 PolarHBondContact OG-N 3.49Å; S543-K545 VanDerWaalsContact OG-N 3.07Å
546	P	83.2	Confident	81.6	Confident	33 Å²	33	55 Å²	55	21%	0.214	27%	0.271	C	S	.	.			trans	-69.2	150.6	175.5	29	-34.7	0	0	0	112.1	V549 V554 Y555 Y556	P546-V549 HydrophobicContact CB-CG2 4Å; P546-V549 HydrophobicContact CG-CG2 3.46Å; P546-V549 VanDerWaalsContact CG-CG2 3.46Å; P546-V554 HydrophobicContact CB-CG1 3.35Å; P546-V554 HydrophobicContact CG-CG1 3.98Å; P546-Y555 CarbonylContact C-O 3.48Å; P546-Y555 WeakPolarHBondContact CA-O 3.32Å; P546-Y555 WeakPolarHBondContact CB-O 3.35Å; P546-Y556 HydrophobicContact CB-CD1 4.17Å; P546-Y556 HydrophobicContact CB-CE1 3.79Å; P546-Y556 HydrophobicContact CB-CE2 4.44Å; P546-Y556 HydrophobicContact CG-CE1 4.43Å
547	V	83.7	Confident	81.9	Confident	58 Å²	58	54.8 Å²	54.8	35%	0.352	27%	0.273	S	S	.	.	S	Bend	trans	-72.6	-40	175	-179.3	0	0	0	0	110.4	Y555 D557 L643	V547-Y555 PolarHBondContact N-O 2.91Å; V547-D557 HydrophobicContact CG2-CB 3.87Å; V547-L643 HydrophobicContact CG1-CB 4.35Å
548	L	80.9	Confident	82.2	Confident	15 Å²	15	45.6 Å²	45.6	8%	0.079	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	143.1	177.9	-175.2	61.4	0	0	0	109.7	Y555 L643 T645 V704	L548-Y555 HydrophobicContact CB-CD2 3.97Å; L548-Y555 HydrophobicContact CB-CG 4.44Å; L548-Y555 HydrophobicContact CD2-CD2 4.3Å; L548-Y555 HydrophobicContact CD2-CE2 4.42Å; L548-Y555 HydrophobicContact CG-CD2 4.24Å; L548-Y555 PolarHBondContact N-O 2.86Å; L548-Y555 PolarHBondContact O-N 3.29Å; L548-L643 HydrophobicContact CB-CB 4.42Å; L548-L643 HydrophobicContact CD2-CB 4.23Å; L548-T645 HydrophobicContact CD1-CG2 4.14Å; L548-V704 HydrophobicContact CD2-CB 4.33Å; L548-V704 HydrophobicContact CD2-CG1 3.71Å; L548-V704 HydrophobicContact CD2-CG2 3.86Å
549	V	76	Confident	82.5	Confident	46 Å²	46	44.8 Å²	44.8	28%	0.279	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	124.2	173.8	-178.5	0	0	0	0	107	P546 V554 C610 Q611	P546-V549 HydrophobicContact CB-CG2 4Å; P546-V549 HydrophobicContact CG-CG2 3.46Å; P546-V549 VanDerWaalsContact CG-CG2 3.46Å; V549-V554 HydrophobicContact CG2-CG1 4.37Å; V549-C610 HydrophobicContact CB-CB 4.28Å; V549-C610 HydrophobicContact CG1-CB 3.76Å; V549-C610 HydrophobicContact CG2-CB 3.62Å; V549-Q611 HydrophobicContact CG1-CG 4.28Å
550	S	73.7	Confident	82.5	Confident	5 Å²	5	44.3 Å²	44.3	4%	0.035	22%	0.223	C	C	.	.			trans	-111.3	-174.4	176	84.8	0	0	0	0	110.9	I552 A553 Q611 E719	S550-I552 VanDerWaalsContact C-N 3.25Å; S550-I552 PolarHBondContact O-N 2.86Å; S550-I552 PolarHBondContact OG-N 3.4Å; S550-A553 PolarHBondContact N-O 2.91Å; S550-A553 PolarHBondContact OG-N 3.36Å; S550-A553 PolarHBondContact OG-O 3.44Å; S550-Q611 PolarHBondContact O-NE2 2.9Å; S550-E719 WeakPolarHBondContact CB-OE1 3.34Å; S550-E719 WeakPolarHBondContact CB-OE2 3.48Å; S550-E719 PolarHBondContact OG-OE1 3.19Å; S550-E719 VanDerWaalsContact OG-OE1 3.04Å; S550-E719 PolarHBondContact OG-OE2 3.28Å
551	R	67.7	Low	82	Confident	70 Å²	70	44 Å²	44	26%	0.264	22%	0.224	S	C	.	.	S	Bend	trans	-68.4	-20.7	175.4	-57.7	-170.4	-170.1	-155.6	-1.4	113.9	Y579 W614 N698 D702	R551-Y579 PolarHBondContact O-OH 2.93Å; R551-W614 PolarHBondContact O-NE1 3.32Å; R551-W614 VanDerWaalsContact O-NE1 3.08Å; R551-N698 VanDerWaalsContact CZ-OD1 3.28Å; R551-N698 PolarHBondContact NH1-OD1 3.17Å; R551-N698 PolarHBondContact NH2-OD1 2.74Å; R551-D702 IonicContact CZ-OD2 2.73Å; R551-D702 IonicContact NE-OD2 3.01Å; R551-D702 PolarHBondContact NE-OD2 3.33Å; R551-D702 IonicContact NH2-OD2 2.73Å; R551-D702 PolarHBondContact NH2-OD2 3.23Å
552	I	72.3	Confident	81.1	Confident	2 Å²	2	42.7 Å²	42.7	1%	0.01	22%	0.217	C	C	.	.	S	Bend	trans	-132.6	-12.1	-173.9	70.6	168.2	0	0	0	114.9	S550 P576 Y579 P582 W614 E719 D721 I725	S550-I552 VanDerWaalsContact C-N 3.25Å; S550-I552 PolarHBondContact O-N 2.86Å; S550-I552 PolarHBondContact OG-N 3.4Å; I552-P576 WeakPolarHBondContact O-CD 3.27Å; I552-Y579 HydrophobicContact CB-CD1 4.21Å; I552-Y579 HydrophobicContact CB-CD2 3.96Å; I552-Y579 HydrophobicContact CB-CE2 4.23Å; I552-Y579 HydrophobicContact CB-CG 3.94Å; I552-Y579 HydrophobicContact CG2-CD1 3.74Å; I552-Y579 HydrophobicContact CG2-CD2 4.35Å; I552-Y579 HydrophobicContact CG2-CE1 3.88Å; I552-Y579 HydrophobicContact CG2-CE2 4.43Å; I552-Y579 HydrophobicContact CG2-CG 4.01Å; I552-P582 HydrophobicContact CD1-CB 4.22Å; I552-W614 VanDerWaalsContact C-CZ2 3.41Å; I552-E719 HydrophobicContact CD1-CB 3.81Å; I552-E719 HydrophobicContact CD1-CG 4.4Å; I552-E719 HydrophobicContact CG1-CB 4.11Å; I552-E719 HydrophobicContact CG1-CG 4.41Å; I552-E719 WeakPolarHBondContact CG1-OE2 3.08Å; I552-D721 HydrophobicContact CD1-CB 3.91Å; I552-D721 HydrophobicContact CG2-CB 3.95Å; I552-I725 HydrophobicContact CG2-CD1 3.84Å
553	A	79.2	Confident	80	Confident	1 Å²	1	37.1 Å²	37.1	1%	0.008	20%	0.203	C	C	.	.			trans	-137.7	146.8	-174.7	0	0	0	0	0	112.5	S550 Y555 M573 V574 V575	S550-A553 PolarHBondContact N-O 2.91Å; S550-A553 PolarHBondContact OG-N 3.36Å; S550-A553 PolarHBondContact OG-O 3.44Å; A553-Y555 HydrophobicContact CB-CD2 4.48Å; A553-Y555 HydrophobicContact CB-CE2 3.83Å; A553-M573 HydrophobicContact CB-CG 3.82Å; A553-M573 HydrophobicContact CB-SD 4.22Å; A553-V574 CarbonylContact C-O 3.55Å; A553-V574 WeakPolarHBondContact CA-O 3.44Å; A553-V575 HydrophobicContact CB-CG2 4Å
554	V	84.1	Confident	79.1	Confident	1 Å²	1	39.8 Å²	39.8	1%	0.006	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	132.8	166.2	-172.3	0	0	0	0	108.4	P546 V549 Y556 V574 L608 W614	P546-V554 HydrophobicContact CB-CG1 3.35Å; P546-V554 HydrophobicContact CG-CG1 3.98Å; V549-V554 HydrophobicContact CG2-CG1 4.37Å; V554-Y556 HydrophobicContact CB-CE2 4.07Å; V554-Y556 HydrophobicContact CG1-CD2 3.97Å; V554-Y556 HydrophobicContact CG1-CE2 3.33Å; V554-V574 PolarHBondContact N-O 3.02Å; V554-V574 PolarHBondContact O-N 3.03Å; V554-L608 HydrophobicContact CG2-CD2 4.47Å; V554-W614 HydrophobicContact CG2-CH2 3.56Å; V554-W614 HydrophobicContact CG2-CZ3 3.51Å
555	Y	87.2	Confident	78.6	Confident	0 Å²	0	36.4 Å²	36.4	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	127.6	179.9	-61.4	-93.8	0	0	0	110.6	P546 V547 L548 A553 A572 M573 L593 L643 V704 E719	P546-Y555 CarbonylContact C-O 3.48Å; P546-Y555 WeakPolarHBondContact CA-O 3.32Å; P546-Y555 WeakPolarHBondContact CB-O 3.35Å; V547-Y555 PolarHBondContact N-O 2.91Å; L548-Y555 HydrophobicContact CB-CD2 3.97Å; L548-Y555 HydrophobicContact CB-CG 4.44Å; L548-Y555 HydrophobicContact CD2-CD2 4.3Å; L548-Y555 HydrophobicContact CD2-CE2 4.42Å; L548-Y555 HydrophobicContact CG-CD2 4.24Å; L548-Y555 PolarHBondContact N-O 2.86Å; L548-Y555 PolarHBondContact O-N 3.29Å; A553-Y555 HydrophobicContact CB-CD2 4.48Å; A553-Y555 HydrophobicContact CB-CE2 3.83Å; Y555-A572 WeakPolarHBondContact CA-O 3.48Å; Y555-M573 HydrophobicContact CD1-CB 3.71Å; Y555-M573 HydrophobicContact CD1-CG 3.78Å; Y555-M573 HydrophobicContact CD1-SD 4.5Å; Y555-M573 HydrophobicContact CE1-CB 3.65Å; Y555-M573 HydrophobicContact CE1-CG 3.34Å; Y555-M573 HydrophobicContact CE1-SD 3.51Å; Y555-M573 VanDerWaalsContact CE1-SD 3.51Å; Y555-M573 HydrophobicContact CE2-CG 4.5Å; Y555-M573 PolarHBondContact OH-SD 3.33Å; Y555-M573 VanDerWaalsContact OH-SD 3.39Å; Y555-L593 HydrophobicContact CE1-CD1 4.44Å; Y555-L643 HydrophobicContact CD1-CD1 3.22Å; Y555-L643 HydrophobicContact CD2-CD1 4.36Å; Y555-L643 HydrophobicContact CE1-CD1 3.92Å; Y555-L643 HydrophobicContact CG-CD1 3.46Å; Y555-L643 VanDerWaalsContact CG-CD1 3.46Å; Y555-V704 HydrophobicContact CE2-CG2 4.41Å; Y555-E719 VanDerWaalsContact CE2-OE1 3.29Å; Y555-E719 WeakPolarHBondContact CE2-OE1 3.39Å; Y555-E719 PolarHBondContact OH-OE1 3.46Å
556	Y	89.1	Confident	78.1	Confident	5 Å²	5	33.3 Å²	33.3	2%	0.02	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	145.6	175	-69.4	-85.3	0	0	0	110.8	L541 P546 V554 T571 A572 V574 L607	L541-Y556 HydrophobicContact CD1-CD1 3.85Å; L541-Y556 HydrophobicContact CD1-CE1 4.25Å; L541-Y556 HydrophobicContact CD1-CG 4.02Å; L541-Y556 HydrophobicContact CD2-CG 4.37Å; P546-Y556 HydrophobicContact CB-CD1 4.17Å; P546-Y556 HydrophobicContact CB-CE1 3.79Å; P546-Y556 HydrophobicContact CB-CE2 4.44Å; P546-Y556 HydrophobicContact CG-CE1 4.43Å; V554-Y556 HydrophobicContact CB-CE2 4.07Å; V554-Y556 HydrophobicContact CG1-CD2 3.97Å; V554-Y556 HydrophobicContact CG1-CE2 3.33Å; Y556-T571 CarbonylContact O-C 3.52Å; Y556-T571 WeakPolarHBondContact O-CA 3.43Å; Y556-A572 PolarHBondContact N-O 3.43Å; Y556-A572 PolarHBondContact O-N 3.07Å; Y556-V574 HydrophobicContact CD2-CG2 4.3Å; Y556-L607 PolarHBondContact OH-O 2.95Å
557	D	89.7	Confident	77.9	Confident	31 Å²	31	37.7 Å²	37.7	17%	0.166	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	137.6	163.9	-87	-18.8	0	0	0	110	R542 V547 T571 K640	R542-D557 PolarHBondContact N-O 2.94Å; V547-D557 HydrophobicContact CG2-CB 3.87Å; D557-T571 PolarHBondContact OD1-OG1 2.83Å; D557-K640 IonicContact OD1-NZ 2.81Å; D557-K640 PolarHBondContact OD1-NZ 3Å; D557-K640 WeakPolarHBondContact OD2-CE 3.33Å; D557-K640 IonicContact OD2-NZ 3.65Å; D557-K640 PolarHBondContact OD2-NZ 2.91Å
558	G	89.2	Confident	77.7	Confident	0 Å²	0	35.2 Å²	35.2	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	-177.4	-179.1	0	0	0	0	0	112.7	T540 V570	T540-G558 CarbonylContact O-C 3.55Å; T540-G558 WeakPolarHBondContact O-CA 3.47Å; G558-V570 PolarHBondContact N-O 3.3Å; G558-V570 PolarHBondContact O-N 3.44Å; G558-V570 VanDerWaalsContact O-O 3.05Å
559	F	88.6	Confident	78.1	Confident	52 Å²	52	37.5 Å²	37.5	23%	0.228	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	155.1	170.8	59.2	-82.5	0	0	0	109.4	T540 R542 E567 A568	T540-F559 VanDerWaalsContact CB-CZ 3.41Å; T540-F559 HydrophobicContact CG2-CD1 4.4Å; T540-F559 HydrophobicContact CG2-CE1 3.52Å; T540-F559 HydrophobicContact CG2-CE2 4.06Å; T540-F559 HydrophobicContact CG2-CZ 3.32Å; T540-F559 PolarHBondContact N-O 3.27Å; T540-F559 WeakPolarHBondContact O-CD1 3.35Å; T540-F559 PolarHBondContact O-N 3.31Å; R542-F559 HydrophobicContact CG-CD1 4.38Å; F559-E567 HydrophobicContact CD2-CB 4.46Å; F559-E567 VanDerWaalsContact CD2-CD 3.41Å; F559-E567 HydrophobicContact CD2-CG 4.23Å; F559-E567 WeakPolarHBondContact CD2-OE1 3.3Å; F559-E567 WeakPolarHBondContact CD2-OE2 3.42Å; F559-E567 VanDerWaalsContact CE2-OE1 3.29Å; F559-E567 WeakPolarHBondContact CE2-OE1 3.49Å; F559-A568 WeakPolarHBondContact CA-O 3.42Å
560	M	84.4	Confident	78.6	Confident	0 Å²	0	35.3 Å²	35.3	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	128.8	-174.7	-172	-173.7	81.7	0	0	107.6	W521 W522 L534 V562 A568 V570	W521-M560 HydrophobicContact CH2-CE 3.79Å; W521-M560 HydrophobicContact CZ3-CE 3.96Å; W522-M560 HydrophobicContact CH2-CE 3.47Å; W522-M560 VanDerWaalsContact CH2-CE 3.47Å; W522-M560 HydrophobicContact CZ2-CE 4.12Å; W522-M560 HydrophobicContact CZ3-CE 4Å; L534-M560 HydrophobicContact CD1-CE 4.49Å; L534-M560 HydrophobicContact CD1-CG 4.02Å; L534-M560 HydrophobicContact CD1-SD 3.64Å; L534-M560 HydrophobicContact CD2-SD 3.48Å; L534-M560 WeakPolarHBondContact CD2-SD 3.32Å; L534-M560 HydrophobicContact CG-SD 4.19Å; M560-V562 HydrophobicContact CE-CG1 3.97Å; M560-V562 HydrophobicContact CE-CG2 4.12Å; M560-V562 VanDerWaalsContact O-CG2 3.24Å; M560-V562 WeakPolarHBondContact O-CG2 3.31Å; M560-V562 PolarHBondContact O-N 2.95Å; M560-A568 PolarHBondContact N-O 3.21Å; M560-A568 VanDerWaalsContact N-O 3.09Å; M560-A568 PolarHBondContact O-N 2.8Å; M560-V570 HydrophobicContact CB-CG1 4.4Å; M560-V570 HydrophobicContact CB-CG2 4.22Å
561	S	76.3	Confident	79.3	Confident	66 Å²	66	35.1 Å²	35.1	46%	0.462	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72	127.8	174.5	-170.3	0	0	0	0	109.3
562	V	69.1	Low	80.3	Confident	3 Å²	3	31.8 Å²	31.8	2%	0.018	20%	0.204	C	C	.	.			trans	-113.4	18.9	-174.6	-136.4	0	0	0	0	112.7	W522 H525 R527 C528 M560 E566 A568	W522-V562 HydrophobicContact CE3-CG1 4.26Å; W522-V562 HydrophobicContact CH2-CG1 4.3Å; W522-V562 HydrophobicContact CZ3-CG1 3.5Å; W522-V562 VanDerWaalsContact CZ3-CG1 3.5Å; H525-V562 HydrophobicContact CB-CB 4.01Å; H525-V562 HydrophobicContact CB-CG1 3.76Å; H525-V562 HydrophobicContact CB-CG2 4.07Å; H525-V562 WeakPolarHBondContact O-CB 3.31Å; H525-V562 WeakPolarHBondContact O-CG1 3.36Å; R527-V562 CarbonylContact C-O 3.47Å; C528-V562 VanDerWaalsContact CA-O 3.3Å; C528-V562 WeakPolarHBondContact CA-O 3.48Å; C528-V562 HydrophobicContact CB-CB 4.47Å; C528-V562 HydrophobicContact CB-CG1 3.77Å; C528-V562 PolarHBondContact N-O 2.81Å; M560-V562 HydrophobicContact CE-CG1 3.97Å; M560-V562 HydrophobicContact CE-CG2 4.12Å; M560-V562 VanDerWaalsContact O-CG2 3.24Å; M560-V562 WeakPolarHBondContact O-CG2 3.31Å; M560-V562 PolarHBondContact O-N 2.95Å; V562-E566 PolarHBondContact N-O 2.92Å; V562-A568 HydrophobicContact CG2-CB 3.42Å; V562-A568 VanDerWaalsContact CG2-CB 3.42Å
563	G	64.8	Low	81	Confident	24 Å²	24	31.9 Å²	31.9	25%	0.247	21%	0.205	C	C	.	.	S	Bend	trans	95.9	167.6	-177.7	0	0	0	0	0	112.8	G565 E566	G563-G565 PolarHBondContact O-N 3.19Å; G563-E566 PolarHBondContact O-N 2.93Å
564	A	64.1	Low	81.3	Confident	112 Å²	112	31.9 Å²	31.9	93%	0.926	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.2	5.5	-179.7	0	0	0	0	0	117.2
565	G	66.2	Low	81.2	Confident	71 Å²	71	32 Å²	32	73%	0.732	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	89.2	3.7	-171.9	0	0	0	0	0	114.1	G563	G563-G565 PolarHBondContact O-N 3.19Å
566	E	71.6	Confident	80.9	Confident	104 Å²	104	32.1 Å²	32.1	49%	0.486	21%	0.206	S	C	.	.			trans	-81.8	126.8	173.4	-66.1	-175.5	179.8	0	0	110.7	V562 G563	V562-E566 PolarHBondContact N-O 2.92Å; G563-E566 PolarHBondContact O-N 2.93Å
567	E	79	Confident	80.4	Confident	126 Å²	126	34.4 Å²	34.4	59%	0.589	23%	0.226	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-97.7	131.7	167.7	-62.7	-173.3	156.4	0	0	109.4	F559	F559-E567 HydrophobicContact CD2-CB 4.46Å; F559-E567 VanDerWaalsContact CD2-CD 3.41Å; F559-E567 HydrophobicContact CD2-CG 4.23Å; F559-E567 WeakPolarHBondContact CD2-OE1 3.3Å; F559-E567 WeakPolarHBondContact CD2-OE2 3.42Å; F559-E567 VanDerWaalsContact CE2-OE1 3.29Å; F559-E567 WeakPolarHBondContact CE2-OE1 3.49Å
568	A	79.5	Confident	79.6	Confident	5 Å²	5	37.2 Å²	37.2	4%	0.041	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	133.5	173	0	0	0	0	0	110.8	W521 F559 M560 V562	W521-A568 HydrophobicContact CH2-CB 3.86Å; W521-A568 HydrophobicContact CZ2-CB 3.5Å; F559-A568 WeakPolarHBondContact CA-O 3.42Å; M560-A568 PolarHBondContact N-O 3.21Å; M560-A568 VanDerWaalsContact N-O 3.09Å; M560-A568 PolarHBondContact O-N 2.8Å; V562-A568 HydrophobicContact CG2-CB 3.42Å; V562-A568 VanDerWaalsContact CG2-CB 3.42Å
569	N	87.3	Confident	78.6	Confident	63 Å²	63	38.5 Å²	38.5	34%	0.337	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	131.2	173.5	-65	-47.1	0	0	0	110	R542 K640	R542-N569 VanDerWaalsContact NH2-CG 3.25Å; R542-N569 PolarHBondContact NH2-OD1 3.15Å; N569-K640 HydrophobicContact CB-CB 3.84Å; N569-K640 HydrophobicContact CB-CD 4.25Å; N569-K640 HydrophobicContact CB-CG 4.05Å; N569-K640 PolarHBondContact O-N 2.88Å
570	V	87.4	Confident	77.2	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	158.6	-177.6	-69.3	0	0	0	0	110.7	W521 V539 G558 M560 I637 L638	W521-V570 HydrophobicContact CH2-CG1 3.51Å; W521-V570 HydrophobicContact CZ2-CG1 3.54Å; V539-V570 HydrophobicContact CG1-CG2 4.36Å; G558-V570 PolarHBondContact N-O 3.3Å; G558-V570 PolarHBondContact O-N 3.44Å; G558-V570 VanDerWaalsContact O-O 3.05Å; M560-V570 HydrophobicContact CB-CG1 4.4Å; M560-V570 HydrophobicContact CB-CG2 4.22Å; V570-I637 HydrophobicContact CB-CG2 3.99Å; V570-I637 HydrophobicContact CG1-CG2 3.77Å; V570-L638 WeakPolarHBondContact CA-O 3.28Å; V570-L638 WeakPolarHBondContact CB-O 3.26Å
571	T	87.8	Confident	75.8	Confident	1 Å²	1	46.5 Å²	46.5	1%	0.006	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	121.2	167.7	-60.1	0	0	0	0	107.7	Y556 D557 L638 A641 L643	Y556-T571 CarbonylContact O-C 3.52Å; Y556-T571 WeakPolarHBondContact O-CA 3.43Å; D557-T571 PolarHBondContact OD1-OG1 2.83Å; T571-L638 PolarHBondContact N-O 3.29Å; T571-L638 VanDerWaalsContact O-CB 3.25Å; T571-L638 WeakPolarHBondContact O-CB 3.38Å; T571-L638 PolarHBondContact O-N 2.82Å; T571-A641 PolarHBondContact OG1-N 3.47Å; T571-A641 PolarHBondContact OG1-O 3.43Å; T571-L643 HydrophobicContact CG2-CD1 3.51Å; T571-L643 HydrophobicContact CG2-CG 4.37Å
572	A	88.5	Confident	74.6	Confident	0 Å²	0	43.7 Å²	43.7	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	121.8	-176.3	0	0	0	0	0	110.3	W536 Y555 Y556 V635 I637	W536-A572 HydrophobicContact CZ3-CB 4.17Å; Y555-A572 WeakPolarHBondContact CA-O 3.48Å; Y556-A572 PolarHBondContact N-O 3.43Å; Y556-A572 PolarHBondContact O-N 3.07Å; A572-V635 HydrophobicContact CB-CG1 4.43Å; A572-I637 HydrophobicContact CB-CD1 4.05Å
573	M	87	Confident	73.9	Confident	5 Å²	5	45.4 Å²	45.4	3%	0.025	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	113.3	174.9	-177.9	-175.2	78.2	0	0	109.8	A553 Y555 V575 W583 L593 V635 Y636 L638	A553-M573 HydrophobicContact CB-CG 3.82Å; A553-M573 HydrophobicContact CB-SD 4.22Å; Y555-M573 HydrophobicContact CD1-CB 3.71Å; Y555-M573 HydrophobicContact CD1-CG 3.78Å; Y555-M573 HydrophobicContact CD1-SD 4.5Å; Y555-M573 HydrophobicContact CE1-CB 3.65Å; Y555-M573 HydrophobicContact CE1-CG 3.34Å; Y555-M573 HydrophobicContact CE1-SD 3.51Å; Y555-M573 VanDerWaalsContact CE1-SD 3.51Å; Y555-M573 HydrophobicContact CE2-CG 4.5Å; Y555-M573 PolarHBondContact OH-SD 3.33Å; Y555-M573 VanDerWaalsContact OH-SD 3.39Å; M573-V575 HydrophobicContact CE-CG2 3.84Å; M573-V575 HydrophobicContact CG-CG2 4.19Å; M573-V575 HydrophobicContact SD-CG2 4.41Å; M573-W583 HydrophobicContact CE-CZ2 3.9Å; M573-L593 HydrophobicContact CE-CD1 4.37Å; M573-L593 HydrophobicContact SD-CD1 3.66Å; M573-V635 WeakPolarHBondContact O-CA 3.14Å; M573-Y636 HydrophobicContact CE-CD2 3.22Å; M573-Y636 HydrophobicContact CE-CE2 3.77Å; M573-Y636 HydrophobicContact CE-CG 3.65Å; M573-Y636 PolarHBondContact N-O 3.34Å; M573-Y636 PolarHBondContact O-N 3.41Å; M573-L638 HydrophobicContact CB-CD1 4.43Å
574	V	86.5	Confident	73.1	Confident	1 Å²	1	46.9 Å²	46.9	1%	0.006	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	118.6	-179	-177.7	0	0	0	0	109.7	W536 A553 V554 Y556 L603 L608 C633 V635	W536-V574 HydrophobicContact CH2-CG2 3.88Å; W536-V574 HydrophobicContact CZ3-CG2 3.97Å; A553-V574 CarbonylContact C-O 3.55Å; A553-V574 WeakPolarHBondContact CA-O 3.44Å; V554-V574 PolarHBondContact N-O 3.02Å; V554-V574 PolarHBondContact O-N 3.03Å; Y556-V574 HydrophobicContact CD2-CG2 4.3Å; V574-L603 HydrophobicContact CG1-CD1 3.52Å; V574-L603 HydrophobicContact CG2-CD1 4.31Å; V574-L608 HydrophobicContact CG1-CD2 3.8Å; V574-C633 HydrophobicContact CG1-CB 4.02Å; V574-V635 HydrophobicContact CG2-CG1 4.46Å; V574-V635 HydrophobicContact CG2-CG2 4.32Å
575	V	82.9	Confident	72.2	Confident	2 Å²	2	49.7 Å²	49.7	1%	0.012	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	115.5	-179.6	179.1	0	0	0	0	109.9	A553 M573 A577 C633 T634 Y636	A553-V575 HydrophobicContact CB-CG2 4Å; M573-V575 HydrophobicContact CE-CG2 3.84Å; M573-V575 HydrophobicContact CG-CG2 4.19Å; M573-V575 HydrophobicContact SD-CG2 4.41Å; V575-A577 PolarHBondContact O-N 3.2Å; V575-C633 CarbonylContact O-C 3.57Å; V575-C633 WeakPolarHBondContact O-CA 3.37Å; V575-T634 PolarHBondContact N-O 2.79Å; V575-T634 PolarHBondContact O-N 3.36Å; V575-Y636 HydrophobicContact CB-CE2 4.18Å; V575-Y636 HydrophobicContact CG2-CD2 4.17Å; V575-Y636 HydrophobicContact CG2-CE2 3.9Å
576	P	81	Confident	70.8	Confident	3 Å²	3	52 Å²	52	2%	0.019	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.7	131.4	173.3	-25.3	33.7	0	0	0	112	I552 K578 Y579 W614 V631	I552-P576 WeakPolarHBondContact O-CD 3.27Å; P576-K578 HydrophobicContact CB-CG 4.17Å; P576-K578 PolarHBondContact O-N 2.98Å; P576-Y579 HydrophobicContact CB-CD2 4.1Å; P576-Y579 HydrophobicContact CB-CE2 4.25Å; P576-Y579 HydrophobicContact CG-CD2 4.27Å; P576-Y579 HydrophobicContact CG-CE2 4.17Å; P576-Y579 PolarHBondContact O-N 2.92Å; P576-W614 HydrophobicContact CG-CD2 4.08Å; P576-W614 HydrophobicContact CG-CE3 3.39Å; P576-W614 HydrophobicContact CG-CH2 3.97Å; P576-W614 HydrophobicContact CG-CZ3 3.31Å; P576-V631 HydrophobicContact CB-CG1 4.38Å
577	A	77.4	Confident	69.4	Low	53 Å²	53	54.1 Å²	54.1	44%	0.438	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-3.5	-170.3	0	0	0	0	0	115.3	V575 Y579 P632	V575-A577 PolarHBondContact O-N 3.2Å; A577-Y579 CarbonylContact C-O 3.56Å; A577-P632 HydrophobicContact CB-CB 4.25Å; A577-P632 VanDerWaalsContact CB-O 3.26Å; A577-P632 WeakPolarHBondContact CB-O 3.48Å; A577-P632 PolarHBondContact N-O 2.82Å
578	K	73.1	Confident	67.8	Low	90 Å²	90	53.3 Å²	53.3	39%	0.391	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-31.2	168.3	68.1	-178.7	-171.3	171.3	0	112.5	P576 C613 W614	P576-K578 HydrophobicContact CB-CG 4.17Å; P576-K578 PolarHBondContact O-N 2.98Å; K578-C613 PolarHBondContact NZ-O 2.95Å; K578-W614 VanDerWaalsContact NZ-CA 3.35Å; K578-W614 PolarHBondContact NZ-O 3.38Å
579	Y	68.6	Low	66.3	Low	28 Å²	28	55 Å²	55	11%	0.11	28%	0.278	C	S	.	.	S	Bend	trans	-75.1	132.6	166.3	-57.2	-62.1	0	0	0	107.3	R551 I552 P576 A577 W614 D721 I725	R551-Y579 PolarHBondContact O-OH 2.93Å; I552-Y579 HydrophobicContact CB-CD1 4.21Å; I552-Y579 HydrophobicContact CB-CD2 3.96Å; I552-Y579 HydrophobicContact CB-CE2 4.23Å; I552-Y579 HydrophobicContact CB-CG 3.94Å; I552-Y579 HydrophobicContact CG2-CD1 3.74Å; I552-Y579 HydrophobicContact CG2-CD2 4.35Å; I552-Y579 HydrophobicContact CG2-CE1 3.88Å; I552-Y579 HydrophobicContact CG2-CE2 4.43Å; I552-Y579 HydrophobicContact CG2-CG 4.01Å; P576-Y579 HydrophobicContact CB-CD2 4.1Å; P576-Y579 HydrophobicContact CB-CE2 4.25Å; P576-Y579 HydrophobicContact CG-CD2 4.27Å; P576-Y579 HydrophobicContact CG-CE2 4.17Å; P576-Y579 PolarHBondContact O-N 2.92Å; A577-Y579 CarbonylContact C-O 3.56Å; Y579-W614 HydrophobicContact CE2-CD2 4.45Å; Y579-W614 AromaticContact CE2-CE2 4Å; Y579-W614 HydrophobicContact CE2-CZ2 4.27Å; Y579-W614 AromaticContact CZ-NE1 3.99Å; Y579-W614 VanDerWaalsContact OH-CD1 3.31Å; Y579-W614 PolarHBondContact OH-NE1 3.17Å; Y579-D721 WeakPolarHBondContact CA-OD2 3.26Å; Y579-I725 HydrophobicContact CD1-CD1 4.21Å; Y579-I725 HydrophobicContact CE1-CD1 3.83Å
580	K	60	Low	64.6	Low	170 Å²	170	53 Å²	53	74%	0.739	27%	0.268	S	S	*	.			trans	-70.9	152.5	-179.9	-74.9	-176.9	177.2	178.3	0	107.9	P582 D721	K580-P582 VanDerWaalsContact O-CD 3.26Å; K580-P582 WeakPolarHBondContact O-CD 3.49Å; K580-D721 PolarHBondContact N-OD2 3.28Å
581	N	54.1	Low	63	Low	50 Å²	50	53 Å²	53	27%	0.267	27%	0.268	S	S	.	.			trans	-48.8	112.5	-177.1	-178.1	-39.8	0	0	0	108.6	W583 E598 Y636	N581-W583 PolarHBondContact O-N 3.42Å; N581-W583 VanDerWaalsContact OD1-CB 3.31Å; N581-W583 WeakPolarHBondContact OD1-CB 3.48Å; N581-W583 VanDerWaalsContact OD1-CD1 3.3Å; N581-W583 PolarHBondContact OD1-N 3.11Å; N581-W583 PolarHBondContact OD1-O 3.5Å; N581-E598 PolarHBondContact ND2-OE2 3.26Å; N581-Y636 PolarHBondContact ND2-OH 3.41Å; N581-Y636 PolarHBondContact OD1-OH 3.03Å
582	P	50.5	Low	61.5	Low	6 Å²	6	55.3 Å²	55.3	4%	0.039	28%	0.282	C	S	.	.	S	Bend	trans	-68.8	-7.1	-168.4	26.7	-34.9	0	0	0	111.8	I552 K580 P584 W720	I552-P582 HydrophobicContact CD1-CB 4.22Å; K580-P582 VanDerWaalsContact O-CD 3.26Å; K580-P582 WeakPolarHBondContact O-CD 3.49Å; P582-P584 WeakPolarHBondContact O-CD 3.28Å; P582-W720 VanDerWaalsContact O-CG 3.27Å
583	W	54.6	Low	60.2	Low	40 Å²	40	55.9 Å²	55.9	15%	0.152	29%	0.285	C	S	.	.	S	Bend	trans	-93	103.9	173.6	-47.8	111.9	0	0	0	110.4	M573 N581 K585 T592 L593 Y636	M573-W583 HydrophobicContact CE-CZ2 3.9Å; N581-W583 PolarHBondContact O-N 3.42Å; N581-W583 VanDerWaalsContact OD1-CB 3.31Å; N581-W583 WeakPolarHBondContact OD1-CB 3.48Å; N581-W583 VanDerWaalsContact OD1-CD1 3.3Å; N581-W583 PolarHBondContact OD1-N 3.11Å; N581-W583 PolarHBondContact OD1-O 3.5Å; W583-K585 PolarHBondContact O-N 3.16Å; W583-T592 HydrophobicContact CE3-CG2 4.45Å; W583-L593 HydrophobicContact CH2-CB 3.61Å; W583-L593 HydrophobicContact CH2-CD1 3.78Å; W583-L593 HydrophobicContact CH2-CG 3.76Å; W583-L593 HydrophobicContact CZ2-CB 3.75Å; W583-L593 HydrophobicContact CZ2-CD1 3.76Å; W583-L593 HydrophobicContact CZ2-CG 4.1Å; W583-Y636 AromaticContact CD1-CE1 3.45Å; W583-Y636 VanDerWaalsContact CD1-CE1 3.45Å; W583-Y636 AromaticContact CD1-CZ 3.78Å; W583-Y636 AromaticContact NE1-CD1 3.72Å; W583-Y636 AromaticContact NE1-CE1 3.41Å; W583-Y636 AromaticContact NE1-CZ 3.71Å
584	P	49	Very low	59.1	Low	54 Å²	54	57.3 Å²	57.3	35%	0.351	30%	0.295	S	S	.	.			trans	-60.6	103.1	161.4	25.5	-32.9	0	0	0	108.5	P582 T586 R587 W720	P582-P584 WeakPolarHBondContact O-CD 3.28Å; P584-T586 PolarHBondContact O-N 3.28Å; P584-R587 PolarHBondContact O-N 3.46Å; P584-W720 HydrophobicContact CG-CD2 4.38Å; P584-W720 HydrophobicContact CG-CE3 4.41Å; P584-W720 HydrophobicContact CG-CH2 4.11Å; P584-W720 HydrophobicContact CG-CZ2 4.1Å; P584-W720 HydrophobicContact CG-CZ3 4.26Å
585	K	45	Very low	58.2	Low	172 Å²	172	59 Å²	59	75%	0.748	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.3	-3.3	-172.5	-63.9	-168.1	173.9	-165.1	0	116.4	W583	W583-K585 PolarHBondContact O-N 3.16Å
586	T	36.7	Very low	57.6	Low	119 Å²	119	59.4 Å²	59.4	73%	0.73	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.8	-7.8	-171.1	53	0	0	0	0	114.6	P584	P584-T586 PolarHBondContact O-N 3.28Å
587	R	41.9	Very low	57.3	Low	149 Å²	149	60.7 Å²	60.7	56%	0.562	32%	0.317	S	S	*	.			trans	-139.4	111.2	-175.2	-61.5	-170.4	-175.4	-144.4	-1	114.5	P584 M589	P584-R587 PolarHBondContact O-N 3.46Å; R587-M589 VanDerWaalsContact C-N 3.33Å; R587-M589 HydrophobicContact CB-CG 4.24Å; R587-M589 PolarHBondContact O-N 3.2Å
588	P	44.5	Very low	57.4	Low	108 Å²	108	61.9 Å²	61.9	70%	0.701	31%	0.313	S	S	*	.			trans	-72.5	91	160.2	30.9	-31.3	0	0	0	108.8
589	M	49.6	Very low	57.9	Low	42 Å²	42	58 Å²	58	21%	0.207	30%	0.297	C	S	.	.			trans	-81.6	157.3	168.2	-69.2	-67.5	-69.2	0	0	109.6	R587 F591 T592 F687	R587-M589 VanDerWaalsContact C-N 3.33Å; R587-M589 HydrophobicContact CB-CG 4.24Å; R587-M589 PolarHBondContact O-N 3.2Å; M589-F591 HydrophobicContact CB-CD2 4.06Å; M589-F591 HydrophobicContact CE-CD2 3.99Å; M589-F591 HydrophobicContact CE-CE2 3.78Å; M589-F591 PolarHBondContact O-N 3.14Å; M589-T592 PolarHBondContact O-N 3.33Å; M589-T592 VanDerWaalsContact O-N 3.08Å; M589-T592 PolarHBondContact O-OG1 3.08Å; M589-T592 VanDerWaalsContact O-OG1 3.09Å; M589-F687 HydrophobicContact CE-CD2 3.55Å; M589-F687 HydrophobicContact CE-CE2 4.15Å; M589-F687 HydrophobicContact CE-CG 4.03Å
590	P	51	Low	58.7	Low	20 Å²	20	65.4 Å²	65.4	13%	0.13	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.9	-18.3	170.6	21.6	-34.2	0	0	0	114.2	Y862 L865	P590-Y862 HydrophobicContact CB-CE2 3.73Å; P590-L865 HydrophobicContact CB-CD1 4.46Å; P590-L865 HydrophobicContact CG-CD1 4.23Å
591	F	54.3	Low	59.9	Low	1 Å²	1	59.5 Å²	59.5	0%	0.004	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.3	0.2	-178.6	-42.7	-60.2	0	0	0	114.8	M589 L593 T683 V684 F687 L718 Y862	M589-F591 HydrophobicContact CB-CD2 4.06Å; M589-F591 HydrophobicContact CE-CD2 3.99Å; M589-F591 HydrophobicContact CE-CE2 3.78Å; M589-F591 PolarHBondContact O-N 3.14Å; F591-L593 PolarHBondContact O-N 2.94Å; F591-T683 HydrophobicContact CZ-CG2 3.75Å; F591-V684 HydrophobicContact CD1-CG2 3.72Å; F591-V684 HydrophobicContact CE1-CB 4.43Å; F591-V684 HydrophobicContact CE1-CG2 3.31Å; F591-V684 HydrophobicContact CE2-CG2 4.23Å; F591-V684 HydrophobicContact CG-CG2 4.33Å; F591-V684 HydrophobicContact CZ-CB 4.35Å; F591-V684 HydrophobicContact CZ-CG2 3.6Å; F591-F687 HydrophobicContact CE2-CB 4.26Å; F591-L718 HydrophobicContact CB-CB 4.29Å; F591-L718 HydrophobicContact CD2-CD1 4.02Å; F591-L718 HydrophobicContact CE2-CD1 4.44Å; F591-L718 HydrophobicContact CG-CD1 4.3Å; F591-Y862 WeakPolarHBondContact CE1-OH 3.44Å
592	T	55.6	Low	61.4	Low	48 Å²	48	62.7 Å²	62.7	29%	0.294	32%	0.317	S	S	.	.			trans	-70.8	127.4	178.1	53.1	0	0	0	0	110.7	W583 M589	W583-T592 HydrophobicContact CE3-CG2 4.45Å; M589-T592 PolarHBondContact O-N 3.33Å; M589-T592 VanDerWaalsContact O-N 3.08Å; M589-T592 PolarHBondContact O-OG1 3.08Å; M589-T592 VanDerWaalsContact O-OG1 3.09Å
593	L	60.6	Low	63.1	Low	12 Å²	12	62.8 Å²	62.8	6%	0.063	32%	0.316	C	S	.	.			trans	-61.4	142.1	169.3	-82.2	171	0	0	0	110	Y555 M573 W583 F591 C595 L638 M706 T717	Y555-L593 HydrophobicContact CE1-CD1 4.44Å; M573-L593 HydrophobicContact CE-CD1 4.37Å; M573-L593 HydrophobicContact SD-CD1 3.66Å; W583-L593 HydrophobicContact CH2-CB 3.61Å; W583-L593 HydrophobicContact CH2-CD1 3.78Å; W583-L593 HydrophobicContact CH2-CG 3.76Å; W583-L593 HydrophobicContact CZ2-CB 3.75Å; W583-L593 HydrophobicContact CZ2-CD1 3.76Å; W583-L593 HydrophobicContact CZ2-CG 4.1Å; F591-L593 PolarHBondContact O-N 2.94Å; L593-C595 PolarHBondContact O-N 3.35Å; L593-L638 HydrophobicContact CB-CD2 3.92Å; L593-L638 HydrophobicContact CD1-CD1 4.21Å; L593-L638 HydrophobicContact CD2-CD1 4.09Å; L593-L638 HydrophobicContact CD2-CD2 4.44Å; L593-M706 HydrophobicContact CD2-CE 3.89Å; L593-M706 HydrophobicContact CD2-SD 3.36Å; L593-M706 WeakPolarHBondContact CD2-SD 3.31Å; L593-T717 HydrophobicContact CD2-CG2 3.73Å; L593-T717 HydrophobicContact CG-CG2 4.07Å
594	P	65.4	Low	64.2	Low	35 Å²	35	62.4 Å²	62.4	23%	0.227	32%	0.318	C	S	.	.			trans	-75.1	75.9	176.2	31.7	-33.7	0	0	0	109.9	V596 P639 M706 M708	P594-V596 PolarHBondContact O-N 3.5Å; P594-P639 VanDerWaalsContact O-CD 3.3Å; P594-P639 WeakPolarHBondContact O-CD 3.42Å; P594-M706 HydrophobicContact CG-CE 4.14Å; P594-M708 HydrophobicContact CG-CE 3.86Å; P594-M708 HydrophobicContact CG-SD 3.68Å
595	C	67.4	Low	65.4	Low	37 Å²	37	60.6 Å²	60.6	25%	0.25	31%	0.306	C	S	.	.			trans	-64.6	119.7	176.2	179.4	0	0	0	0	110.8	L593 V597	L593-C595 PolarHBondContact O-N 3.35Å; C595-V597 PolarHBondContact SG-O 3.04Å; C595-V597 VanDerWaalsContact SG-O 3.36Å
596	V	69.5	Low	66.7	Low	10 Å²	10	58.4 Å²	58.4	6%	0.061	30%	0.298	C	S	.	.	S	Bend	trans	-86.7	-44.1	174.9	156.6	0	0	0	0	109.7	W521 W522 P594 I637 P639	W521-V596 HydrophobicContact CB-CG2 4.28Å; W521-V596 HydrophobicContact CD2-CG2 4.19Å; W521-V596 HydrophobicContact CE3-CB 4.39Å; W521-V596 HydrophobicContact CE3-CG1 3.53Å; W521-V596 HydrophobicContact CE3-CG2 3.89Å; W521-V596 HydrophobicContact CG-CG2 4.4Å; W521-V596 HydrophobicContact CH2-CG1 4.45Å; W521-V596 HydrophobicContact CZ3-CG1 3.51Å; W522-V596 HydrophobicContact CD2-CG1 4.11Å; W522-V596 HydrophobicContact CG-CG1 4.14Å; W522-V596 HydrophobicContact CZ2-CG1 4.07Å; W522-V596 PolarHBondContact NE1-O 3.11Å; P594-V596 PolarHBondContact O-N 3.5Å; V596-I637 HydrophobicContact CB-CG2 4.39Å; V596-I637 WeakPolarHBondContact CB-O 3.33Å; V596-I637 HydrophobicContact CG1-CB 4.41Å; V596-I637 HydrophobicContact CG1-CG2 4.05Å; V596-I637 PolarHBondContact N-O 3.4Å; V596-P639 HydrophobicContact CG2-CG 3.87Å
597	V	75	Confident	68.2	Low	31 Å²	31	54.8 Å²	54.8	19%	0.188	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	141.2	170.3	-179.4	0	0	0	0	111.6	W522 L534 C595 M599 Y636 I637	W522-V597 HydrophobicContact CZ2-CG2 3.39Å; W522-V597 VanDerWaalsContact NE1-CG2 3.35Å; L534-V597 HydrophobicContact CD2-CB 4.41Å; L534-V597 HydrophobicContact CD2-CG1 4.5Å; L534-V597 HydrophobicContact CD2-CG2 4.12Å; C595-V597 PolarHBondContact SG-O 3.04Å; C595-V597 VanDerWaalsContact SG-O 3.36Å; V597-M599 HydrophobicContact CB-CG 4.46Å; V597-M599 HydrophobicContact CG1-CG 3.5Å; V597-M599 HydrophobicContact CG1-SD 4.47Å; V597-Y636 CarbonylContact O-C 3.6Å; V597-Y636 VanDerWaalsContact O-CA 3.26Å; V597-Y636 WeakPolarHBondContact O-CA 3.35Å; V597-I637 HydrophobicContact CB-CB 4.36Å; V597-I637 HydrophobicContact CB-CG1 4.31Å; V597-I637 PolarHBondContact O-N 3.21Å
598	E	79.2	Confident	69.5	Low	78 Å²	78	48 Å²	48	36%	0.364	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	114	160.3	-178.5	-174.8	141.9	0	0	108.7	N581 R600 T634 Y636	N581-E598 PolarHBondContact ND2-OE2 3.26Å; E598-R600 IonicContact OE1-NE 3.13Å; E598-R600 IonicContact OE1-NH2 3.17Å; E598-T634 HydrophobicContact CG-CG2 3.51Å; E598-Y636 HydrophobicContact CB-CD1 4.19Å; E598-Y636 HydrophobicContact CB-CE1 4.14Å; E598-Y636 HydrophobicContact CG-CD1 4.24Å; E598-Y636 HydrophobicContact CG-CE1 3.77Å
599	M	82.9	Confident	70.2	Confident	9 Å²	9	46.5 Å²	46.5	4%	0.044	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	157.1	173.2	-53.2	-173.1	-62.8	0	0	110.2	L534 C535 V539 V597 E601 T634 V635 I637	L534-M599 HydrophobicContact CB-SD 4.13Å; L534-M599 HydrophobicContact CD2-SD 3.72Å; L534-M599 HydrophobicContact CG-SD 3.84Å; C535-M599 VanDerWaalsContact C-SD 3.55Å; C535-M599 VanDerWaalsContact CA-SD 3.58Å; V539-M599 HydrophobicContact CG2-CE 4.27Å; V597-M599 HydrophobicContact CB-CG 4.46Å; V597-M599 HydrophobicContact CG1-CG 3.5Å; V597-M599 HydrophobicContact CG1-SD 4.47Å; M599-E601 HydrophobicContact CB-CG 4.21Å; M599-T634 CarbonylContact O-C 3.56Å; M599-T634 VanDerWaalsContact O-CA 3.31Å; M599-T634 WeakPolarHBondContact O-CA 3.46Å; M599-T634 WeakPolarHBondContact O-CG2 3.44Å; M599-V635 HydrophobicContact CB-CB 4.35Å; M599-V635 HydrophobicContact CE-CB 3.99Å; M599-V635 HydrophobicContact CE-CG1 3.83Å; M599-V635 PolarHBondContact N-O 3.47Å; M599-V635 PolarHBondContact O-N 3.05Å; M599-I637 HydrophobicContact CE-CD1 3.89Å; M599-I637 HydrophobicContact CE-CG1 4.08Å
600	R	85.5	Confident	70.4	Confident	183 Å²	183	47.7 Å²	47.7	69%	0.691	25%	0.252	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-126.6	120.2	174.6	-67.7	-176.9	-178.2	-160.4	-4.1	109.3	E598 C633	E598-R600 IonicContact OE1-NE 3.13Å; E598-R600 IonicContact OE1-NH2 3.17Å; R600-C633 WeakPolarHBondContact CA-O 3.49Å
601	E	86.6	Confident	70.5	Confident	45 Å²	45	48.9 Å²	48.9	21%	0.21	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	147.4	-160.8	-67.1	-70.7	-176.2	0	0	110.2	C535 W536 M599 L603 C633 V635	C535-E601 WeakPolarHBondContact CA-OE1 3.41Å; C535-E601 VanDerWaalsContact CB-OE1 3.27Å; C535-E601 WeakPolarHBondContact CB-OE1 3.36Å; W536-E601 HydrophobicContact CB-CB 4.44Å; W536-E601 HydrophobicContact CB-CG 3.87Å; W536-E601 PolarHBondContact N-OE1 3.31Å; M599-E601 HydrophobicContact CB-CG 4.21Å; E601-L603 HydrophobicContact CB-CD2 3.89Å; E601-L603 HydrophobicContact CB-CG 4.17Å; E601-C633 PolarHBondContact N-O 3.02Å; E601-C633 PolarHBondContact O-N 3.08Å; E601-V635 HydrophobicContact CB-CG2 4.3Å; E601-V635 HydrophobicContact CG-CG2 4.31Å
602	N	85.8	Confident	70.4	Confident	118 Å²	118	57 Å²	57	63%	0.631	29%	0.294	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.6	108	171.7	-68.9	-24.5	0	0	0	107.4	C630	N602-C630 HydrophobicContact CB-CB 4.2Å
603	L	84.1	Confident	70.1	Confident	7 Å²	7	58.3 Å²	58.3	4%	0.037	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	139.7	-172.4	-58.3	-178.3	0	0	0	110.6	W536 V574 E601 S605 C630 V631 C633 V635	W536-L603 HydrophobicContact CB-CD2 4.1Å; W536-L603 VanDerWaalsContact CD1-CD2 3.46Å; W536-L603 HydrophobicContact CD2-CD2 3.82Å; W536-L603 HydrophobicContact CG-CD2 3.53Å; V574-L603 HydrophobicContact CG1-CD1 3.52Å; V574-L603 HydrophobicContact CG2-CD1 4.31Å; E601-L603 HydrophobicContact CB-CD2 3.89Å; E601-L603 HydrophobicContact CB-CG 4.17Å; L603-S605 PolarHBondContact O-N 3.48Å; L603-C630 CarbonylContact O-C 3.53Å; L603-C630 WeakPolarHBondContact O-CA 3.41Å; L603-V631 PolarHBondContact N-O 3.2Å; L603-V631 PolarHBondContact O-N 2.89Å; L603-C633 HydrophobicContact CD1-CB 3.91Å; L603-C633 HydrophobicContact CG-CB 4.19Å; L603-V635 HydrophobicContact CD1-CG2 3.96Å
604	N	79.2	Confident	70	Confident	33 Å²	33	58.2 Å²	58.2	18%	0.176	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.7	132.6	172.8	178.2	-2.5	0	0	0	110.6	E606 L607 Q628	N604-E606 PolarHBondContact ND2-OE2 3.06Å; N604-E606 PolarHBondContact O-N 3.4Å; N604-E606 VanDerWaalsContact O-N 3.11Å; N604-E606 WeakPolarHBondContact OD1-CG 3.39Å; N604-E606 PolarHBondContact OD1-N 3.46Å; N604-E606 VanDerWaalsContact OD1-N 3.11Å; N604-L607 WeakPolarHBondContact O-CB 3.38Å; N604-L607 PolarHBondContact O-N 3.28Å; N604-Q628 PolarHBondContact ND2-NE2 3.47Å
605	S	72.8	Confident	69.2	Low	15 Å²	15	60.7 Å²	60.7	11%	0.105	31%	0.311	C	S	.	.	G	3₁₀ helix	trans	-57.6	-23.2	-179.7	62.5	0	0	0	0	113.5	L603 L607 L608 C609 Q629	L603-S605 PolarHBondContact O-N 3.48Å; S605-L607 PolarHBondContact O-N 3.06Å; S605-L608 CarbonylContact O-C 3.49Å; S605-L608 WeakPolarHBondContact O-CA 3.44Å; S605-L608 WeakPolarHBondContact O-CB 3.48Å; S605-L608 PolarHBondContact O-N 2.94Å; S605-C609 PolarHBondContact O-N 3.44Å; S605-C609 PolarHBondContact O-SG 3.49Å; S605-Q629 WeakPolarHBondContact CB-O 3.44Å; S605-Q629 PolarHBondContact N-O 3.29Å; S605-Q629 PolarHBondContact OG-O 2.91Å
606	E	72.4	Confident	68.4	Low	126 Å²	126	62.7 Å²	62.7	59%	0.589	33%	0.331	S	S	*	.	G	3₁₀ helix	trans	-57.2	-34	172.2	-67.2	174.9	152.4	0	0	112.7	N604 L608 C609	N604-E606 PolarHBondContact ND2-OE2 3.06Å; N604-E606 PolarHBondContact O-N 3.4Å; N604-E606 VanDerWaalsContact O-N 3.11Å; N604-E606 WeakPolarHBondContact OD1-CG 3.39Å; N604-E606 PolarHBondContact OD1-N 3.46Å; N604-E606 VanDerWaalsContact OD1-N 3.11Å; E606-L608 PolarHBondContact O-N 2.93Å; E606-C609 PolarHBondContact O-N 3.08Å
607	L	69.4	Low	67.2	Low	43 Å²	43	67.6 Å²	67.6	23%	0.225	36%	0.357	C	S	.	.	G	3₁₀ helix	trans	-73.9	-1.6	174.7	-64.5	170.2	0	0	0	113.4	W536 L541 Y556 N604 S605	W536-L607 HydrophobicContact CZ2-CD1 4.15Å; L541-L607 HydrophobicContact CD1-CD2 4.44Å; Y556-L607 PolarHBondContact OH-O 2.95Å; N604-L607 WeakPolarHBondContact O-CB 3.38Å; N604-L607 PolarHBondContact O-N 3.28Å; S605-L607 PolarHBondContact O-N 3.06Å
608	L	69.5	Low	65.8	Low	8 Å²	8	68.4 Å²	68.4	4%	0.042	36%	0.361	C	S	.	.	G	3₁₀ helix	trans	-124.4	5.1	-177.8	-51.3	176.2	0	0	0	112.6	V554 V574 S605 E606 C610 W614 V631	V554-L608 HydrophobicContact CG2-CD2 4.47Å; V574-L608 HydrophobicContact CG1-CD2 3.8Å; S605-L608 CarbonylContact O-C 3.49Å; S605-L608 WeakPolarHBondContact O-CA 3.44Å; S605-L608 WeakPolarHBondContact O-CB 3.48Å; S605-L608 PolarHBondContact O-N 2.94Å; E606-L608 PolarHBondContact O-N 2.93Å; L608-C610 PolarHBondContact O-N 2.94Å; L608-W614 HydrophobicContact CB-CE3 4.21Å; L608-W614 HydrophobicContact CD2-CZ3 4.11Å; L608-V631 HydrophobicContact CD1-CB 3.59Å; L608-V631 HydrophobicContact CD1-CG1 3.78Å; L608-V631 HydrophobicContact CD1-CG2 3.85Å
609	C	57.4	Low	63.8	Low	75 Å²	75	70.8 Å²	70.8	51%	0.507	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.4	14.7	-170.4	-87.8	0	0	0	0	116.9	S605 E606 Q615	S605-C609 PolarHBondContact O-N 3.44Å; S605-C609 PolarHBondContact O-SG 3.49Å; E606-C609 PolarHBondContact O-N 3.08Å; C609-Q615 PolarHBondContact SG-NE2 3.44Å
610	C	53.9	Low	61.5	Low	67 Å²	67	74.6 Å²	74.6	45%	0.453	41%	0.408	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.8	-3.1	-179.2	-60.8	0	0	0	0	114.9	V549 L608	V549-C610 HydrophobicContact CB-CB 4.28Å; V549-C610 HydrophobicContact CG1-CB 3.76Å; V549-C610 HydrophobicContact CG2-CB 3.62Å; L608-C610 PolarHBondContact O-N 2.94Å
611	Q	54.3	Low	59	Low	46 Å²	46	71 Å²	71	22%	0.215	41%	0.406	C	S	.	.			trans	-141.6	117.2	171.1	-78.4	-173.1	7.3	0	0	112.9	V549 S550 C613 W614	V549-Q611 HydrophobicContact CG1-CG 4.28Å; S550-Q611 PolarHBondContact O-NE2 2.9Å; Q611-C613 VanDerWaalsContact C-N 3.25Å; Q611-C613 PolarHBondContact O-N 3.09Å; Q611-W614 HydrophobicContact CB-CB 4.48Å; Q611-W614 HydrophobicContact CB-CD2 4.44Å; Q611-W614 HydrophobicContact CB-CG 4Å; Q611-W614 WeakPolarHBondContact O-CB 3.45Å; Q611-W614 PolarHBondContact O-N 2.89Å
612	E	52.3	Low	56.5	Low	172 Å²	172	76.8 Å²	76.8	80%	0.804	43%	0.433	S	S	*	.	H	α-helix	trans	-54.4	-40.7	174.7	-57.9	175.8	160.1	0	0	112.3	W614 Q615 A616	E612-W614 PolarHBondContact O-N 2.87Å; E612-Q615 PolarHBondContact O-N 3.44Å; E612-Q615 VanDerWaalsContact O-N 3.16Å; E612-A616 PolarHBondContact O-N 3.44Å; E612-A616 VanDerWaalsContact O-N 3.16Å
613	C	49.4	Very low	54.1	Low	75 Å²	75	76.6 Å²	76.6	51%	0.507	44%	0.441	S	S	.	.	H	α-helix	trans	-64.6	-9.9	178.4	69.6	0	0	0	0	113.7	K578 Q611	K578-C613 PolarHBondContact NZ-O 2.95Å; Q611-C613 VanDerWaalsContact C-N 3.25Å; Q611-C613 PolarHBondContact O-N 3.09Å
614	W	57.4	Low	51.8	Low	10 Å²	10	85.8 Å²	85.8	4%	0.038	48%	0.483	C	S	.	.	H	α-helix	trans	-80.6	-42.7	173.6	-74.4	24.7	0	0	0	112.6	R551 I552 V554 P576 K578 Y579 L608 Q611 E612	R551-W614 PolarHBondContact O-NE1 3.32Å; R551-W614 VanDerWaalsContact O-NE1 3.08Å; I552-W614 VanDerWaalsContact C-CZ2 3.41Å; V554-W614 HydrophobicContact CG2-CH2 3.56Å; V554-W614 HydrophobicContact CG2-CZ3 3.51Å; P576-W614 HydrophobicContact CG-CD2 4.08Å; P576-W614 HydrophobicContact CG-CE3 3.39Å; P576-W614 HydrophobicContact CG-CH2 3.97Å; P576-W614 HydrophobicContact CG-CZ3 3.31Å; K578-W614 VanDerWaalsContact NZ-CA 3.35Å; K578-W614 PolarHBondContact NZ-O 3.38Å; Y579-W614 HydrophobicContact CE2-CD2 4.45Å; Y579-W614 AromaticContact CE2-CE2 4Å; Y579-W614 HydrophobicContact CE2-CZ2 4.27Å; Y579-W614 AromaticContact CZ-NE1 3.99Å; Y579-W614 VanDerWaalsContact OH-CD1 3.31Å; Y579-W614 PolarHBondContact OH-NE1 3.17Å; L608-W614 HydrophobicContact CB-CE3 4.21Å; L608-W614 HydrophobicContact CD2-CZ3 4.11Å; Q611-W614 HydrophobicContact CB-CB 4.48Å; Q611-W614 HydrophobicContact CB-CD2 4.44Å; Q611-W614 HydrophobicContact CB-CG 4Å; Q611-W614 WeakPolarHBondContact O-CB 3.45Å; Q611-W614 PolarHBondContact O-N 2.89Å; E612-W614 PolarHBondContact O-N 2.87Å
615	Q	49.6	Very low	49.9	Very low	86 Å²	86	91.3 Å²	91.3	40%	0.402	51%	0.508	S	S	.	.	H	α-helix	trans	-73.6	-36.8	179.4	-62.5	173.2	-9.8	0	0	111.9	C609 E612 N617 T618	C609-Q615 PolarHBondContact SG-NE2 3.44Å; E612-Q615 PolarHBondContact O-N 3.44Å; E612-Q615 VanDerWaalsContact O-N 3.16Å; Q615-N617 PolarHBondContact O-N 3.02Å; Q615-T618 PolarHBondContact O-N 2.8Å; Q615-T618 PolarHBondContact O-OG1 3.32Å
616	A	50.2	Low	48.4	Very low	79 Å²	79	100.7 Å²	100.7	65%	0.653	55%	0.55	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.2	-2.9	-174.8	0	0	0	0	0	116.9	E612	E612-A616 PolarHBondContact O-N 3.44Å; E612-A616 VanDerWaalsContact O-N 3.16Å
617	N	45	Very low	47.1	Very low	114 Å²	114	102.2 Å²	102.2	61%	0.61	56%	0.557	S	S	*	*	T	Hydrogen-bonded Turn	trans	-137.2	12.2	-179.7	-88	-64.9	0	0	0	114	Q615 V619	Q615-N617 PolarHBondContact O-N 3.02Å; N617-V619 PolarHBondContact O-N 3.21Å
618	T	45.4	Very low	46.5	Very low	47 Å²	47	106.3 Å²	106.3	29%	0.288	58%	0.575	S	S	.	*			trans	-82.3	100.6	170	40.7	0	0	0	0	110	Q615 C620 V631	Q615-T618 PolarHBondContact O-N 2.8Å; Q615-T618 PolarHBondContact O-OG1 3.32Å; T618-C620 PolarHBondContact O-N 2.77Å; T618-C620 PolarHBondContact O-SG 2.74Å; T618-C620 VanDerWaalsContact O-SG 3.42Å; T618-V631 HydrophobicContact CG2-CG1 4.34Å; T618-V631 HydrophobicContact CG2-CG2 4.33Å
619	V	36.8	Very low	46.3	Very low	129 Å²	129	111.5 Å²	111.5	78%	0.782	60%	0.599	S	S	*	*			trans	-65.4	96.7	169.4	-179	0	0	0	0	108.2	N617 T621	N617-V619 PolarHBondContact O-N 3.21Å; V619-T621 HydrophobicContact CG1-CG2 4.22Å; V619-T621 PolarHBondContact O-N 2.99Å; V619-T621 VanDerWaalsContact O-N 3.07Å
620	C	35	Very low	47	Very low	89 Å²	89	111.6 Å²	111.6	60%	0.601	60%	0.6	S	S	*	*			trans	-72.7	98.9	180	-65.5	0	0	0	0	109.6	T618 H622	T618-C620 PolarHBondContact O-N 2.77Å; T618-C620 PolarHBondContact O-SG 2.74Å; T618-C620 VanDerWaalsContact O-SG 3.42Å; C620-H622 PolarHBondContact O-N 3.35Å
621	T	33.2	Very low	48.2	Very low	106 Å²	106	109.2 Å²	109.2	65%	0.65	58%	0.583	S	S	*	*			trans	-83.9	103.9	-178.8	51.9	0	0	0	0	111.8	V619	V619-T621 HydrophobicContact CG1-CG2 4.22Å; V619-T621 PolarHBondContact O-N 2.99Å; V619-T621 VanDerWaalsContact O-N 3.07Å
622	H	33.8	Very low	49.7	Very low	168 Å²	168	110.3 Å²	110.3	78%	0.778	59%	0.594	S	S	*	*			trans	89.7	158.9	156.4	-55.6	-66.3	0	0	0	120.9	C620	C620-H622 PolarHBondContact O-N 3.35Å
623	S	35.5	Very low	51.3	Low	114 Å²	114	102.3 Å²	102.3	80%	0.797	56%	0.557	S	S	*	*			trans	69.7	117.8	167.3	30	0	0	0	0	118.5	E625	S623-E625 PolarHBondContact O-N 3.38Å
624	E	35.2	Very low	53	Low	199 Å²	199	99.5 Å²	99.5	93%	0.93	54%	0.538	S	S	*	.			trans	-78.3	84.9	167.1	-61.3	168	133.8	0	0	109.6
625	E	38.6	Very low	54.3	Low	150 Å²	150	99 Å²	99	70%	0.701	54%	0.536	S	S	*	.	S	Bend	trans	-166	100.1	169.7	-114.5	169.6	-142	0	0	108.9	S623 H627	S623-E625 PolarHBondContact O-N 3.38Å; E625-H627 PolarHBondContact O-N 2.93Å; E625-H627 PolarHBondContact O-ND1 3.19Å
626	E	43	Very low	56	Low	211 Å²	211	95 Å²	95	99%	0.986	52%	0.517	S	S	*	.			trans	21.3	4.3	165	-59.6	-168.9	129.7	0	0	124.1
627	H	44.3	Very low	57.6	Low	159 Å²	159	91.2 Å²	91.2	74%	0.736	49%	0.486	S	S	*	.			trans	-89.1	137.8	-164.7	-71.3	65.8	0	0	0	113.2	E625 Q629	E625-H627 PolarHBondContact O-N 2.93Å; E625-H627 PolarHBondContact O-ND1 3.19Å; H627-Q629 PolarHBondContact O-N 3.48Å
628	Q	55.7	Low	59.3	Low	128 Å²	128	85.9 Å²	85.9	60%	0.598	46%	0.457	S	S	*	.			trans	-56.4	133.7	-177.2	-74.7	168.3	-57.9	0	0	112.8	N604 C630	N604-Q628 PolarHBondContact ND2-NE2 3.47Å; Q628-C630 PolarHBondContact O-N 3.04Å; Q628-C630 PolarHBondContact O-SG 2.81Å
629	Q	65.4	Low	60.9	Low	118 Å²	118	84.2 Å²	84.2	55%	0.551	45%	0.448	S	S	*	.			trans	-63.2	101.9	-177	-69.8	-178.7	-3.1	0	0	111.4	S605 H627	S605-Q629 WeakPolarHBondContact CB-O 3.44Å; S605-Q629 PolarHBondContact N-O 3.29Å; S605-Q629 PolarHBondContact OG-O 2.91Å; H627-Q629 PolarHBondContact O-N 3.48Å
630	C	72.6	Confident	63.2	Low	77 Å²	77	79.1 Å²	79.1	52%	0.52	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	126.4	178.6	-66.3	0	0	0	0	111.5	N602 L603 Q628	N602-C630 HydrophobicContact CB-CB 4.2Å; L603-C630 CarbonylContact O-C 3.53Å; L603-C630 WeakPolarHBondContact O-CA 3.41Å; Q628-C630 PolarHBondContact O-N 3.04Å; Q628-C630 PolarHBondContact O-SG 2.81Å
631	V	79.1	Confident	65.5	Low	17 Å²	17	75 Å²	75	10%	0.103	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	128.1	176.6	-178.4	0	0	0	0	109.5	P576 L603 L608 T618 C633	P576-V631 HydrophobicContact CB-CG1 4.38Å; L603-V631 PolarHBondContact N-O 3.2Å; L603-V631 PolarHBondContact O-N 2.89Å; L608-V631 HydrophobicContact CD1-CB 3.59Å; L608-V631 HydrophobicContact CD1-CG1 3.78Å; L608-V631 HydrophobicContact CD1-CG2 3.85Å; T618-V631 HydrophobicContact CG2-CG1 4.34Å; T618-V631 HydrophobicContact CG2-CG2 4.33Å; V631-C633 PolarHBondContact O-N 3.01Å; V631-C633 PolarHBondContact O-SG 3.35Å
632	P	85.1	Confident	67.9	Low	69 Å²	69	73.8 Å²	73.8	45%	0.448	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	124.6	175.3	27.9	-33.7	0	0	0	110.1	A577	A577-P632 HydrophobicContact CB-CB 4.25Å; A577-P632 VanDerWaalsContact CB-O 3.26Å; A577-P632 WeakPolarHBondContact CB-O 3.48Å; A577-P632 PolarHBondContact N-O 2.82Å
633	C	86	Confident	70.4	Confident	4 Å²	4	66.4 Å²	66.4	3%	0.027	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	155.1	-175.5	-67.5	0	0	0	0	111.6	V574 V575 R600 E601 L603 V631	V574-C633 HydrophobicContact CG1-CB 4.02Å; V575-C633 CarbonylContact O-C 3.57Å; V575-C633 WeakPolarHBondContact O-CA 3.37Å; R600-C633 WeakPolarHBondContact CA-O 3.49Å; E601-C633 PolarHBondContact N-O 3.02Å; E601-C633 PolarHBondContact O-N 3.08Å; L603-C633 HydrophobicContact CD1-CB 3.91Å; L603-C633 HydrophobicContact CG-CB 4.19Å; V631-C633 PolarHBondContact O-N 3.01Å; V631-C633 PolarHBondContact O-SG 3.35Å
634	T	85.3	Confident	72.6	Confident	15 Å²	15	62.3 Å²	62.3	9%	0.092	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	121.5	161.6	-49	0	0	0	0	107.6	V575 E598 M599 Y636	V575-T634 PolarHBondContact N-O 2.79Å; V575-T634 PolarHBondContact O-N 3.36Å; E598-T634 HydrophobicContact CG-CG2 3.51Å; M599-T634 CarbonylContact O-C 3.56Å; M599-T634 VanDerWaalsContact O-CA 3.31Å; M599-T634 WeakPolarHBondContact O-CA 3.46Å; M599-T634 WeakPolarHBondContact O-CG2 3.44Å; T634-Y636 HydrophobicContact CG2-CD2 4.32Å; T634-Y636 HydrophobicContact CG2-CE1 4.09Å; T634-Y636 HydrophobicContact CG2-CE2 3.61Å; T634-Y636 VanDerWaalsContact CG2-CZ 3.47Å; T634-Y636 WeakPolarHBondContact CG2-OH 3.49Å
635	V	86.2	Confident	74.6	Confident	0 Å²	0	54 Å²	54	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	127	177.9	-176.8	0	0	0	0	108.4	W536 A572 M573 V574 M599 E601 L603 I637	W536-V635 HydrophobicContact CE3-CB 4.44Å; W536-V635 HydrophobicContact CE3-CG1 3.83Å; W536-V635 HydrophobicContact CE3-CG2 3.93Å; W536-V635 HydrophobicContact CZ3-CG1 3.73Å; W536-V635 HydrophobicContact CZ3-CG2 4.22Å; A572-V635 HydrophobicContact CB-CG1 4.43Å; M573-V635 WeakPolarHBondContact O-CA 3.14Å; V574-V635 HydrophobicContact CG2-CG1 4.46Å; V574-V635 HydrophobicContact CG2-CG2 4.32Å; M599-V635 HydrophobicContact CB-CB 4.35Å; M599-V635 HydrophobicContact CE-CB 3.99Å; M599-V635 HydrophobicContact CE-CG1 3.83Å; M599-V635 PolarHBondContact N-O 3.47Å; M599-V635 PolarHBondContact O-N 3.05Å; E601-V635 HydrophobicContact CB-CG2 4.3Å; E601-V635 HydrophobicContact CG-CG2 4.31Å; L603-V635 HydrophobicContact CD1-CG2 3.96Å; V635-I637 HydrophobicContact CG1-CD1 4.05Å
636	Y	84.5	Confident	76.4	Confident	2 Å²	2	47.1 Å²	47.1	1%	0.008	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	119.2	174.4	-55.3	-96.1	0	0	0	109.1	M573 V575 N581 W583 V597 E598 T634	M573-Y636 HydrophobicContact CE-CD2 3.22Å; M573-Y636 HydrophobicContact CE-CE2 3.77Å; M573-Y636 HydrophobicContact CE-CG 3.65Å; M573-Y636 PolarHBondContact N-O 3.34Å; M573-Y636 PolarHBondContact O-N 3.41Å; V575-Y636 HydrophobicContact CB-CE2 4.18Å; V575-Y636 HydrophobicContact CG2-CD2 4.17Å; V575-Y636 HydrophobicContact CG2-CE2 3.9Å; N581-Y636 PolarHBondContact ND2-OH 3.41Å; N581-Y636 PolarHBondContact OD1-OH 3.03Å; W583-Y636 AromaticContact CD1-CE1 3.45Å; W583-Y636 VanDerWaalsContact CD1-CE1 3.45Å; W583-Y636 AromaticContact CD1-CZ 3.78Å; W583-Y636 AromaticContact NE1-CD1 3.72Å; W583-Y636 AromaticContact NE1-CE1 3.41Å; W583-Y636 AromaticContact NE1-CZ 3.71Å; V597-Y636 CarbonylContact O-C 3.6Å; V597-Y636 VanDerWaalsContact O-CA 3.26Å; V597-Y636 WeakPolarHBondContact O-CA 3.35Å; E598-Y636 HydrophobicContact CB-CD1 4.19Å; E598-Y636 HydrophobicContact CB-CE1 4.14Å; E598-Y636 HydrophobicContact CG-CD1 4.24Å; E598-Y636 HydrophobicContact CG-CE1 3.77Å; T634-Y636 HydrophobicContact CG2-CD2 4.32Å; T634-Y636 HydrophobicContact CG2-CE1 4.09Å; T634-Y636 HydrophobicContact CG2-CE2 3.61Å; T634-Y636 VanDerWaalsContact CG2-CZ 3.47Å; T634-Y636 WeakPolarHBondContact CG2-OH 3.49Å
637	I	83.9	Confident	77.9	Confident	0 Å²	0	40.9 Å²	40.9	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	134.7	171.4	-54.2	-54.4	0	0	0	108.5	L534 V539 V570 A572 V596 V597 M599 V635	L534-I637 HydrophobicContact CD2-CG1 4.21Å; V539-I637 HydrophobicContact CG2-CD1 3.85Å; V570-I637 HydrophobicContact CB-CG2 3.99Å; V570-I637 HydrophobicContact CG1-CG2 3.77Å; A572-I637 HydrophobicContact CB-CD1 4.05Å; V596-I637 HydrophobicContact CB-CG2 4.39Å; V596-I637 WeakPolarHBondContact CB-O 3.33Å; V596-I637 HydrophobicContact CG1-CB 4.41Å; V596-I637 HydrophobicContact CG1-CG2 4.05Å; V596-I637 PolarHBondContact N-O 3.4Å; V597-I637 HydrophobicContact CB-CB 4.36Å; V597-I637 HydrophobicContact CB-CG1 4.31Å; V597-I637 PolarHBondContact O-N 3.21Å; M599-I637 HydrophobicContact CE-CD1 3.89Å; M599-I637 HydrophobicContact CE-CG1 4.08Å; V635-I637 HydrophobicContact CG1-CD1 4.05Å
638	L	80.4	Confident	79.6	Confident	1 Å²	1	38 Å²	38	1%	0.005	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	152.6	175.5	-50.8	170.5	0	0	0	108.7	V570 T571 M573 L593	V570-L638 WeakPolarHBondContact CA-O 3.28Å; V570-L638 WeakPolarHBondContact CB-O 3.26Å; T571-L638 PolarHBondContact N-O 3.29Å; T571-L638 VanDerWaalsContact O-CB 3.25Å; T571-L638 WeakPolarHBondContact O-CB 3.38Å; T571-L638 PolarHBondContact O-N 2.82Å; M573-L638 HydrophobicContact CB-CD1 4.43Å; L593-L638 HydrophobicContact CB-CD2 3.92Å; L593-L638 HydrophobicContact CD1-CD1 4.21Å; L593-L638 HydrophobicContact CD2-CD1 4.09Å; L593-L638 HydrophobicContact CD2-CD2 4.44Å
639	P	78.5	Confident	80.8	Confident	13 Å²	13	32.5 Å²	32.5	8%	0.084	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.1	153.4	162.6	-17.8	31.8	0	0	0	109.9	W521 P594 V596 A641 M708	W521-P639 HydrophobicContact CB-CG 4.23Å; W521-P639 HydrophobicContact CG-CB 4.16Å; W521-P639 HydrophobicContact CG-CG 4.05Å; P594-P639 VanDerWaalsContact O-CD 3.3Å; P594-P639 WeakPolarHBondContact O-CD 3.42Å; V596-P639 HydrophobicContact CG2-CG 3.87Å; P639-A641 PolarHBondContact O-N 2.95Å; P639-M708 HydrophobicContact CB-CE 3.93Å; P639-M708 HydrophobicContact CG-CE 3.88Å
640	K	85.1	Confident	81.3	Confident	22 Å²	22	27.3 Å²	27.3	10%	0.096	16%	0.156	C	C	.	.	S	Bend	trans	-52.1	127.2	179	-176.4	62.1	-175	115.9	0	111.8	D557 N569 E709	D557-K640 IonicContact OD1-NZ 2.81Å; D557-K640 PolarHBondContact OD1-NZ 3Å; D557-K640 WeakPolarHBondContact OD2-CE 3.33Å; D557-K640 IonicContact OD2-NZ 3.65Å; D557-K640 PolarHBondContact OD2-NZ 2.91Å; N569-K640 HydrophobicContact CB-CB 3.84Å; N569-K640 HydrophobicContact CB-CD 4.25Å; N569-K640 HydrophobicContact CB-CG 4.05Å; N569-K640 PolarHBondContact O-N 2.88Å; K640-E709 WeakPolarHBondContact CG-OE1 3.35Å
641	A	83.5	Confident	81.6	Confident	1 Å²	1	27 Å²	27	1%	0.008	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	158.6	173.3	0	0	0	0	0	110.5	T571 P639 M706 Q707 M708	T571-A641 PolarHBondContact OG1-N 3.47Å; T571-A641 PolarHBondContact OG1-O 3.43Å; P639-A641 PolarHBondContact O-N 2.95Å; A641-M706 HydrophobicContact CB-CG 3.42Å; A641-M706 VanDerWaalsContact CB-CG 3.42Å; A641-M706 HydrophobicContact CB-SD 3.96Å; A641-Q707 CarbonylContact C-O 3.53Å; A641-Q707 WeakPolarHBondContact CA-O 3.38Å; A641-M708 HydrophobicContact CB-CG 4.05Å
642	T	85.1	Confident	81.6	Confident	82 Å²	82	27 Å²	27	50%	0.503	15%	0.153	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	131	158.9	53.5	0	0	0	0	108.6	Q707	T642-Q707 PolarHBondContact N-O 3.21Å; T642-Q707 PolarHBondContact O-N 3.39Å; T642-Q707 WeakPolarHBondContact OG1-CB 3.39Å; T642-Q707 PolarHBondContact OG1-O 3.24Å
643	L	85.3	Confident	81.3	Confident	13 Å²	13	25.5 Å²	25.5	7%	0.068	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	138.3	-178.2	-69.3	171.3	0	0	0	110.3	V547 L548 Y555 T571 V704 M706	V547-L643 HydrophobicContact CG1-CB 4.35Å; L548-L643 HydrophobicContact CB-CB 4.42Å; L548-L643 HydrophobicContact CD2-CB 4.23Å; Y555-L643 HydrophobicContact CD1-CD1 3.22Å; Y555-L643 HydrophobicContact CD2-CD1 4.36Å; Y555-L643 HydrophobicContact CE1-CD1 3.92Å; Y555-L643 HydrophobicContact CG-CD1 3.46Å; Y555-L643 VanDerWaalsContact CG-CD1 3.46Å; T571-L643 HydrophobicContact CG2-CD1 3.51Å; T571-L643 HydrophobicContact CG2-CG 4.37Å; L643-V704 HydrophobicContact CD2-CG1 3.81Å; L643-M706 HydrophobicContact CD2-CB 3.63Å; L643-M706 HydrophobicContact CD2-CG 3.67Å
644	C	81.6	Confident	80.8	Confident	27 Å²	27	26.3 Å²	26.3	18%	0.182	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.4	160.6	-178.5	44.9	0	0	0	0	110.8	Q648 V649 V705	C644-Q648 HydrophobicContact CB-CB 3.93Å; C644-V649 HydrophobicContact CB-CG2 4.32Å; C644-V649 WeakPolarHBondContact SG-CG2 3.49Å; C644-V705 PolarHBondContact N-O 2.96Å; C644-V705 PolarHBondContact O-N 2.91Å
645	T	77.7	Confident	80.4	Confident	24 Å²	24	34.1 Å²	34.1	15%	0.147	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	157.8	170.5	57	0	0	0	0	111.5	L548 K647 Q648 V649 E701	L548-T645 HydrophobicContact CD1-CG2 4.14Å; T645-K647 PolarHBondContact O-N 3.24Å; T645-Q648 PolarHBondContact O-N 2.73Å; T645-Q648 WeakPolarHBondContact OG1-CB 3.38Å; T645-Q648 VanDerWaalsContact OG1-CG 3.23Å; T645-Q648 WeakPolarHBondContact OG1-CG 3.43Å; T645-Q648 PolarHBondContact OG1-N 3.29Å; T645-Q648 VanDerWaalsContact OG1-N 3.07Å; T645-Q648 PolarHBondContact OG1-OE1 3.35Å; T645-V649 PolarHBondContact O-N 2.93Å; T645-E701 WeakPolarHBondContact CB-O 3.38Å; T645-E701 VanDerWaalsContact CG2-O 3.24Å; T645-E701 WeakPolarHBondContact CG2-O 3.46Å
646	T	75.7	Confident	79.9	Confident	6 Å²	6	37 Å²	37	4%	0.037	19%	0.19	C	C	.	.	H	α-helix	trans	-46.8	-48.8	167.9	48.3	0	0	0	0	111.4	Q648 V649 V650 L681 L700 I703 V705	T646-Q648 PolarHBondContact O-N 2.97Å; T646-V649 WeakPolarHBondContact O-CB 3.46Å; T646-V649 PolarHBondContact O-N 3.43Å; T646-V649 VanDerWaalsContact O-N 3.14Å; T646-V650 WeakPolarHBondContact O-CG2 3.29Å; T646-V650 PolarHBondContact O-N 3.26Å; T646-L681 HydrophobicContact CG2-CD1 4.39Å; T646-L681 HydrophobicContact CG2-CD2 3.87Å; T646-L700 PolarHBondContact OG1-O 3.47Å; T646-I703 HydrophobicContact CG2-CB 3.77Å; T646-I703 HydrophobicContact CG2-CG2 3.8Å; T646-I703 PolarHBondContact N-O 3.15Å; T646-I703 VanDerWaalsContact N-O 3.14Å; T646-V705 HydrophobicContact CG2-CG2 3.94Å
647	K	75.1	Confident	79.2	Confident	80 Å²	80	37.3 Å²	37.3	35%	0.348	19%	0.192	S	C	.	.	H	α-helix	trans	-57.8	-43.5	175.8	-172.2	-179.2	-158.9	148.5	0	113.8	T645 V649 V650 N651 E701	T645-K647 PolarHBondContact O-N 3.24Å; K647-V649 VanDerWaalsContact C-N 3.31Å; K647-V649 PolarHBondContact O-N 3.49Å; K647-V650 PolarHBondContact O-N 2.93Å; K647-N651 VanDerWaalsContact O-CB 3.31Å; K647-N651 WeakPolarHBondContact O-CB 3.49Å; K647-N651 PolarHBondContact O-N 3.45Å; K647-N651 PolarHBondContact O-ND2 3.4Å; K647-E701 HydrophobicContact CB-CG 4.22Å; K647-E701 VanDerWaalsContact CD-CD 3.49Å; K647-E701 HydrophobicContact CD-CG 4.09Å; K647-E701 WeakPolarHBondContact CD-OE2 2.92Å; K647-E701 WeakPolarHBondContact CE-OE1 3.4Å; K647-E701 IonicContact NZ-OE1 3.14Å; K647-E701 PolarHBondContact NZ-OE1 3.27Å; K647-E701 IonicContact NZ-OE2 3.25Å; K647-E701 PolarHBondContact NZ-OE2 3.34Å
648	Q	79.9	Confident	78.5	Confident	98 Å²	98	40.1 Å²	40.1	46%	0.458	22%	0.216	S	C	.	.	H	α-helix	trans	-64.7	-35.7	176.2	-79.4	167.8	-16.3	0	0	112.1	C644 T645 T646 G652	C644-Q648 HydrophobicContact CB-CB 3.93Å; T645-Q648 PolarHBondContact O-N 2.73Å; T645-Q648 WeakPolarHBondContact OG1-CB 3.38Å; T645-Q648 VanDerWaalsContact OG1-CG 3.23Å; T645-Q648 WeakPolarHBondContact OG1-CG 3.43Å; T645-Q648 PolarHBondContact OG1-N 3.29Å; T645-Q648 VanDerWaalsContact OG1-N 3.07Å; T645-Q648 PolarHBondContact OG1-OE1 3.35Å; T646-Q648 PolarHBondContact O-N 2.97Å; Q648-G652 PolarHBondContact O-N 2.77Å
649	V	80.6	Confident	78.1	Confident	13 Å²	13	43.9 Å²	43.9	8%	0.079	24%	0.236	C	C	.	.	H	α-helix	trans	-67.5	-46.3	173.9	178.5	0	0	0	0	111.2	C644 T645 T646 K647 G652 Y653 L677 V705	C644-V649 HydrophobicContact CB-CG2 4.32Å; C644-V649 WeakPolarHBondContact SG-CG2 3.49Å; T645-V649 PolarHBondContact O-N 2.93Å; T646-V649 WeakPolarHBondContact O-CB 3.46Å; T646-V649 PolarHBondContact O-N 3.43Å; T646-V649 VanDerWaalsContact O-N 3.14Å; K647-V649 VanDerWaalsContact C-N 3.31Å; K647-V649 PolarHBondContact O-N 3.49Å; V649-G652 WeakPolarHBondContact O-CA 3.46Å; V649-G652 PolarHBondContact O-N 3.25Å; V649-G652 VanDerWaalsContact O-N 3.09Å; V649-Y653 HydrophobicContact CG1-CD2 3.89Å; V649-Y653 HydrophobicContact CG1-CE1 4.24Å; V649-Y653 HydrophobicContact CG1-CE2 3.37Å; V649-Y653 PolarHBondContact O-N 3.01Å; V649-L677 HydrophobicContact CG1-CD1 3.61Å; V649-V705 HydrophobicContact CG2-CB 3.9Å; V649-V705 HydrophobicContact CG2-CG1 3.97Å; V649-V705 HydrophobicContact CG2-CG2 4.12Å
650	V	75.7	Confident	77.3	Confident	10 Å²	10	51.9 Å²	51.9	6%	0.061	27%	0.272	C	S	.	.	H	α-helix	trans	-60.2	-47.3	176.7	174.4	0	0	0	0	110.9	T646 K647 G652 Y653 A654 E754 I755	T646-V650 WeakPolarHBondContact O-CG2 3.29Å; T646-V650 PolarHBondContact O-N 3.26Å; K647-V650 PolarHBondContact O-N 2.93Å; V650-G652 VanDerWaalsContact C-N 3.27Å; V650-G652 PolarHBondContact O-N 2.91Å; V650-Y653 PolarHBondContact O-N 3.34Å; V650-A654 VanDerWaalsContact O-CB 3.29Å; V650-A654 WeakPolarHBondContact O-CB 3.48Å; V650-A654 PolarHBondContact O-N 2.83Å; V650-E754 HydrophobicContact CG1-CG 3.98Å; V650-I755 HydrophobicContact CB-CD1 4.18Å; V650-I755 HydrophobicContact CG1-CD1 3.44Å; V650-I755 VanDerWaalsContact CG1-CD1 3.44Å; V650-I755 HydrophobicContact CG1-CG1 4.04Å; V650-I755 HydrophobicContact CG2-CD1 3.65Å
651	N	78.5	Confident	76.7	Confident	71 Å²	71	55.9 Å²	55.9	38%	0.38	30%	0.299	S	S	.	.	H	α-helix	trans	-67	-24.3	174.2	-72.5	-22.6	0	0	0	113.5	K647 R655	K647-N651 VanDerWaalsContact O-CB 3.31Å; K647-N651 WeakPolarHBondContact O-CB 3.49Å; K647-N651 PolarHBondContact O-N 3.45Å; K647-N651 PolarHBondContact O-ND2 3.4Å; N651-R655 WeakPolarHBondContact O-CB 3.44Å; N651-R655 VanDerWaalsContact O-CG 3.32Å; N651-R655 WeakPolarHBondContact O-CG 3.49Å; N651-R655 PolarHBondContact O-N 3.36Å; N651-R655 PolarHBondContact O-NE 3.43Å
652	G	80.7	Confident	76	Confident	17 Å²	17	57.7 Å²	57.7	18%	0.175	31%	0.309	C	S	.	.	H	α-helix	trans	-70.4	-50.3	171.1	0	0	0	0	0	111.5	Q648 V649 V650 R655 T656	Q648-G652 PolarHBondContact O-N 2.77Å; V649-G652 WeakPolarHBondContact O-CA 3.46Å; V649-G652 PolarHBondContact O-N 3.25Å; V649-G652 VanDerWaalsContact O-N 3.09Å; V650-G652 VanDerWaalsContact C-N 3.27Å; V650-G652 PolarHBondContact O-N 2.91Å; G652-R655 PolarHBondContact O-N 3.3Å; G652-T656 PolarHBondContact O-N 3.47Å; G652-T656 PolarHBondContact O-OG1 3.26Å
653	Y	78.5	Confident	75.4	Confident	36 Å²	36	56.8 Å²	56.8	14%	0.141	30%	0.304	C	S	.	.	H	α-helix	trans	-65.3	-38.6	175.7	-65.7	-18.9	0	0	0	112.3	V649 V650 T656 L657 V670 K673 F674 L677	V649-Y653 HydrophobicContact CG1-CD2 3.89Å; V649-Y653 HydrophobicContact CG1-CE1 4.24Å; V649-Y653 HydrophobicContact CG1-CE2 3.37Å; V649-Y653 PolarHBondContact O-N 3.01Å; V650-Y653 PolarHBondContact O-N 3.34Å; Y653-T656 PolarHBondContact O-N 2.96Å; Y653-L657 VanDerWaalsContact O-CB 3.31Å; Y653-L657 WeakPolarHBondContact O-CB 3.44Å; Y653-L657 WeakPolarHBondContact O-CG 3.37Å; Y653-L657 PolarHBondContact O-N 3.35Å; Y653-V670 HydrophobicContact CD1-CG1 4.04Å; Y653-V670 HydrophobicContact CD1-CG2 4.13Å; Y653-V670 HydrophobicContact CD2-CG1 4.17Å; Y653-V670 HydrophobicContact CG-CG1 3.69Å; Y653-K673 HydrophobicContact CE2-CB 4.23Å; Y653-K673 WeakPolarHBondContact OH-CB 3.47Å; Y653-F674 HydrophobicContact CD2-CB 4.28Å; Y653-F674 HydrophobicContact CE2-CB 4.36Å; Y653-L677 HydrophobicContact CE2-CD1 3.91Å
654	A	74.3	Confident	74.6	Confident	21 Å²	21	57.2 Å²	57.2	17%	0.174	31%	0.31	C	S	.	.	H	α-helix	trans	-61.5	-44.9	174.6	0	0	0	0	0	112	V650 L657 A658 V758	V650-A654 VanDerWaalsContact O-CB 3.29Å; V650-A654 WeakPolarHBondContact O-CB 3.48Å; V650-A654 PolarHBondContact O-N 2.83Å; A654-L657 PolarHBondContact O-N 3.38Å; A654-A658 WeakPolarHBondContact O-CB 3.23Å; A654-A658 PolarHBondContact O-N 3.5Å; A654-V758 HydrophobicContact CB-CG1 3.92Å; A654-V758 HydrophobicContact CB-CG2 3.8Å
655	R	77.1	Confident	74.2	Confident	179 Å²	179	63.7 Å²	63.7	68%	0.675	34%	0.337	S	S	*	.	H	α-helix	trans	-66.1	-41.6	174.3	-75.5	177	-65.2	145.1	0.2	112.9	N651 G652 A658 D659	N651-R655 WeakPolarHBondContact O-CB 3.44Å; N651-R655 VanDerWaalsContact O-CG 3.32Å; N651-R655 WeakPolarHBondContact O-CG 3.49Å; N651-R655 PolarHBondContact O-N 3.36Å; N651-R655 PolarHBondContact O-NE 3.43Å; G652-R655 PolarHBondContact O-N 3.3Å; R655-A658 PolarHBondContact O-N 3.38Å; R655-D659 PolarHBondContact O-N 2.9Å
656	T	76	Confident	74.1	Confident	60 Å²	60	66.7 Å²	66.7	37%	0.368	35%	0.35	S	S	.	.	H	α-helix	trans	-58.1	-52.3	175	-53.7	0	0	0	0	109.7	G652 Y653 A658 D659 T662 V670	G652-T656 PolarHBondContact O-N 3.47Å; G652-T656 PolarHBondContact O-OG1 3.26Å; Y653-T656 PolarHBondContact O-N 2.96Å; T656-A658 VanDerWaalsContact C-N 3.3Å; T656-A658 PolarHBondContact O-N 3.13Å; T656-D659 VanDerWaalsContact O-CB 3.31Å; T656-D659 WeakPolarHBondContact O-CB 3.37Å; T656-D659 PolarHBondContact O-N 2.89Å; T656-D659 VanDerWaalsContact O-N 3.15Å; T656-T662 PolarHBondContact O-OG1 3.3Å; T656-V670 HydrophobicContact CG2-CG2 4.18Å
657	L	70.7	Confident	74	Confident	9 Å²	9	68.3 Å²	68.3	5%	0.047	36%	0.358	C	S	.	.	H	α-helix	trans	-63.2	-34	179	-68.7	168.9	0	0	0	112.7	Y653 A654 D659 L667 V670 V758 L759 R762	Y653-L657 VanDerWaalsContact O-CB 3.31Å; Y653-L657 WeakPolarHBondContact O-CB 3.44Å; Y653-L657 WeakPolarHBondContact O-CG 3.37Å; Y653-L657 PolarHBondContact O-N 3.35Å; A654-L657 PolarHBondContact O-N 3.38Å; L657-D659 VanDerWaalsContact C-N 3.26Å; L657-D659 PolarHBondContact O-N 3.38Å; L657-L667 HydrophobicContact CD2-CD1 3.39Å; L657-V670 HydrophobicContact CD1-CG1 3.86Å; L657-V670 HydrophobicContact CD2-CB 4.45Å; L657-V670 HydrophobicContact CD2-CG1 4.17Å; L657-V670 HydrophobicContact CG-CG1 3.99Å; L657-V758 HydrophobicContact CB-CG1 4.33Å; L657-V758 HydrophobicContact CD1-CG1 3.66Å; L657-L759 HydrophobicContact CD1-CD2 3.97Å; L657-R762 PolarHBondContact O-NE 3Å; L657-R762 PolarHBondContact O-NH2 2.87Å; L657-R762 VanDerWaalsContact O-NH2 3.14Å
658	A	68.3	Low	74.1	Confident	60 Å²	60	65.6 Å²	65.6	50%	0.496	35%	0.348	S	S	.	.	H	α-helix	trans	-71.5	-16.1	177.4	0	0	0	0	0	113.8	A654 R655 T656 Q660 R762	A654-A658 WeakPolarHBondContact O-CB 3.23Å; A654-A658 PolarHBondContact O-N 3.5Å; R655-A658 PolarHBondContact O-N 3.38Å; T656-A658 VanDerWaalsContact C-N 3.3Å; T656-A658 PolarHBondContact O-N 3.13Å; A658-Q660 PolarHBondContact O-N 3.42Å; A658-R762 VanDerWaalsContact C-NH2 3.3Å; A658-R762 PolarHBondContact O-NH2 3.48Å
659	D	71.4	Confident	74.1	Confident	80 Å²	80	63.4 Å²	63.4	43%	0.428	34%	0.343	S	S	.	.	S	Bend	trans	-68.4	128	172.7	-163.9	-41.8	0	0	0	110.3	R655 T656 L657 T661 T662 R762	R655-D659 PolarHBondContact O-N 2.9Å; T656-D659 VanDerWaalsContact O-CB 3.31Å; T656-D659 WeakPolarHBondContact O-CB 3.37Å; T656-D659 PolarHBondContact O-N 2.89Å; T656-D659 VanDerWaalsContact O-N 3.15Å; L657-D659 VanDerWaalsContact C-N 3.26Å; L657-D659 PolarHBondContact O-N 3.38Å; D659-T661 PolarHBondContact O-N 2.95Å; D659-T661 WeakPolarHBondContact OD1-CB 3.48Å; D659-T661 WeakPolarHBondContact OD1-CG2 3.37Å; D659-T661 PolarHBondContact OD1-N 2.9Å; D659-T661 PolarHBondContact OD1-OG1 3.14Å; D659-T662 WeakPolarHBondContact O-CB 3.46Å; D659-T662 PolarHBondContact O-N 2.93Å; D659-T662 PolarHBondContact O-OG1 3.23Å; D659-R762 PolarHBondContact O-NH2 3.47Å
660	Q	62.7	Low	74.1	Confident	181 Å²	181	63.4 Å²	63.4	85%	0.846	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.1	-16.8	179.3	-62.9	-174	9.1	0	0	113	A658 T662	A658-Q660 PolarHBondContact O-N 3.42Å; Q660-T662 VanDerWaalsContact C-N 3.31Å
661	T	72.3	Confident	74.3	Confident	106 Å²	106	63.4 Å²	63.4	65%	0.65	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.5	-3.3	176.8	65.7	0	0	0	0	114	D659 T663	D659-T661 PolarHBondContact O-N 2.95Å; D659-T661 WeakPolarHBondContact OD1-CB 3.48Å; D659-T661 WeakPolarHBondContact OD1-CG2 3.37Å; D659-T661 PolarHBondContact OD1-N 2.9Å; D659-T661 PolarHBondContact OD1-OG1 3.14Å; T661-T663 PolarHBondContact O-N 2.74Å; T661-T663 VanDerWaalsContact O-N 3.11Å
662	T	69.4	Low	74.6	Confident	38 Å²	38	61.1 Å²	61.1	23%	0.233	33%	0.331	C	S	.	.			trans	-53.1	115	-176.1	-59.9	0	0	0	0	112.6	T656 D659 Q660 Q666 L667	T656-T662 PolarHBondContact O-OG1 3.3Å; D659-T662 WeakPolarHBondContact O-CB 3.46Å; D659-T662 PolarHBondContact O-N 2.93Å; D659-T662 PolarHBondContact O-OG1 3.23Å; Q660-T662 VanDerWaalsContact C-N 3.31Å; T662-Q666 HydrophobicContact CG2-CB 4.2Å; T662-L667 HydrophobicContact CG2-CB 4.27Å
663	T	72	Confident	74.9	Confident	63 Å²	63	63.2 Å²	63.2	39%	0.387	34%	0.335	S	S	.	.			trans	-76	156.9	175.9	78.9	0	0	0	0	111.6	T661 E665 Q666 L667	T661-T663 PolarHBondContact O-N 2.74Å; T661-T663 VanDerWaalsContact O-N 3.11Å; T663-E665 PolarHBondContact O-N 2.85Å; T663-E665 PolarHBondContact OG1-N 2.85Å; T663-Q666 PolarHBondContact O-N 2.75Å; T663-Q666 VanDerWaalsContact O-N 3.14Å; T663-Q666 WeakPolarHBondContact OG1-CG 3.49Å; T663-Q666 PolarHBondContact OG1-N 3.14Å; T663-L667 PolarHBondContact O-N 2.73Å
664	A	68.7	Low	75.1	Confident	23 Å²	23	61.9 Å²	61.9	19%	0.19	33%	0.33	C	S	.	.	H	α-helix	trans	-58.6	-29.8	176.1	0	0	0	0	0	113	V668 V775	A664-V668 VanDerWaalsContact O-CG2 3.28Å; A664-V668 WeakPolarHBondContact O-CG2 3.38Å; A664-V668 PolarHBondContact O-N 3.36Å; A664-V668 VanDerWaalsContact O-N 3.08Å; A664-V775 HydrophobicContact CB-CB 4.42Å; A664-V775 HydrophobicContact CB-CG1 3.75Å; A664-V775 HydrophobicContact CB-CG2 3.62Å
665	E	72.4	Confident	75.8	Confident	162 Å²	162	60.9 Å²	60.9	76%	0.757	32%	0.322	S	S	*	.	H	α-helix	trans	-74.9	-40.2	176.4	-56.4	-164.3	146.1	0	0	112.3	T663 V668 S669	T663-E665 PolarHBondContact O-N 2.85Å; T663-E665 PolarHBondContact OG1-N 2.85Å; E665-V668 PolarHBondContact O-N 2.83Å; E665-S669 VanDerWaalsContact O-CB 3.29Å; E665-S669 WeakPolarHBondContact O-CB 3.23Å; E665-S669 PolarHBondContact O-N 3.17Å
666	Q	75.3	Confident	76.4	Confident	88 Å²	88	52.4 Å²	52.4	41%	0.411	29%	0.29	S	S	.	.	H	α-helix	trans	-61.5	-44.5	172.5	-70.8	167.1	-11.1	0	0	110.7	T662 T663 V668 S669 V670	T662-Q666 HydrophobicContact CG2-CB 4.2Å; T663-Q666 PolarHBondContact O-N 2.75Å; T663-Q666 VanDerWaalsContact O-N 3.14Å; T663-Q666 WeakPolarHBondContact OG1-CG 3.49Å; T663-Q666 PolarHBondContact OG1-N 3.14Å; Q666-V668 PolarHBondContact O-N 3.43Å; Q666-S669 WeakPolarHBondContact O-CB 3.1Å; Q666-S669 PolarHBondContact O-N 3.17Å; Q666-V670 WeakPolarHBondContact O-CB 3.41Å; Q666-V670 WeakPolarHBondContact O-CG2 3.47Å; Q666-V670 PolarHBondContact O-N 3.39Å
667	L	74.6	Confident	76.9	Confident	40 Å²	40	49.9 Å²	49.9	21%	0.209	27%	0.274	C	S	.	.	H	α-helix	trans	-55.3	-49.7	173.6	176	62.3	0	0	0	111.6	L657 T662 T663 V670 V671 F782	L657-L667 HydrophobicContact CD2-CD1 3.39Å; T662-L667 HydrophobicContact CG2-CB 4.27Å; T663-L667 PolarHBondContact O-N 2.73Å; L667-V670 PolarHBondContact O-N 3.25Å; L667-V671 HydrophobicContact CD1-CG2 4.41Å; L667-V671 VanDerWaalsContact O-CB 3.27Å; L667-V671 WeakPolarHBondContact O-CB 3.2Å; L667-V671 VanDerWaalsContact O-CG2 3.32Å; L667-V671 WeakPolarHBondContact O-CG2 3.23Å; L667-V671 PolarHBondContact O-N 2.68Å; L667-F782 HydrophobicContact CD1-CE2 3.82Å; L667-F782 HydrophobicContact CD1-CZ 4.39Å; L667-F782 HydrophobicContact CD2-CD2 4.3Å; L667-F782 HydrophobicContact CD2-CE2 4Å; L667-F782 HydrophobicContact CG-CD2 4.43Å; L667-F782 HydrophobicContact CG-CE2 3.99Å
668	V	76.3	Confident	77.7	Confident	22 Å²	22	49.5 Å²	49.5	13%	0.133	27%	0.272	C	S	.	.	H	α-helix	trans	-64.1	-38.8	177.1	167.6	0	0	0	0	111.8	A664 E665 Q666 N672 W778	A664-V668 VanDerWaalsContact O-CG2 3.28Å; A664-V668 WeakPolarHBondContact O-CG2 3.38Å; A664-V668 PolarHBondContact O-N 3.36Å; A664-V668 VanDerWaalsContact O-N 3.08Å; E665-V668 PolarHBondContact O-N 2.83Å; Q666-V668 PolarHBondContact O-N 3.43Å; V668-N672 WeakPolarHBondContact CG1-ND2 3.4Å; V668-N672 WeakPolarHBondContact O-CB 3.32Å; V668-N672 PolarHBondContact O-N 3.15Å; V668-N672 PolarHBondContact O-ND2 2.91Å; V668-W778 HydrophobicContact CB-CD2 4.5Å; V668-W778 HydrophobicContact CG1-CD2 3.97Å; V668-W778 HydrophobicContact CG1-CE3 4.19Å; V668-W778 HydrophobicContact CG1-CH2 3.86Å; V668-W778 HydrophobicContact CG1-CZ2 3.59Å; V668-W778 HydrophobicContact CG1-CZ3 4.14Å; V668-W778 HydrophobicContact CG2-CB 4.09Å; V668-W778 HydrophobicContact CG2-CD2 3.62Å; V668-W778 HydrophobicContact CG2-CE3 3.9Å; V668-W778 HydrophobicContact CG2-CG 3.69Å
669	S	81.7	Confident	78.8	Confident	52 Å²	52	46.7 Å²	46.7	36%	0.364	25%	0.249	S	C	.	.	H	α-helix	trans	-64.3	-48.4	177.6	-172.6	0	0	0	0	111.6	E665 Q666 N672 K673	E665-S669 VanDerWaalsContact O-CB 3.29Å; E665-S669 WeakPolarHBondContact O-CB 3.23Å; E665-S669 PolarHBondContact O-N 3.17Å; Q666-S669 WeakPolarHBondContact O-CB 3.1Å; Q666-S669 PolarHBondContact O-N 3.17Å; S669-N672 PolarHBondContact O-N 2.91Å; S669-K673 WeakPolarHBondContact O-CB 3.44Å; S669-K673 WeakPolarHBondContact O-CG 3.23Å; S669-K673 PolarHBondContact O-N 3.02Å
670	V	80	Confident	79.6	Confident	13 Å²	13	42.9 Å²	42.9	8%	0.079	23%	0.229	C	C	.	.	H	α-helix	trans	-60.8	-47.6	175.6	168.9	0	0	0	0	111.2	Y653 T656 L657 Q666 L667 N672 K673 F674	Y653-V670 HydrophobicContact CD1-CG1 4.04Å; Y653-V670 HydrophobicContact CD1-CG2 4.13Å; Y653-V670 HydrophobicContact CD2-CG1 4.17Å; Y653-V670 HydrophobicContact CG-CG1 3.69Å; T656-V670 HydrophobicContact CG2-CG2 4.18Å; L657-V670 HydrophobicContact CD1-CG1 3.86Å; L657-V670 HydrophobicContact CD2-CB 4.45Å; L657-V670 HydrophobicContact CD2-CG1 4.17Å; L657-V670 HydrophobicContact CG-CG1 3.99Å; Q666-V670 WeakPolarHBondContact O-CB 3.41Å; Q666-V670 WeakPolarHBondContact O-CG2 3.47Å; Q666-V670 PolarHBondContact O-N 3.39Å; L667-V670 PolarHBondContact O-N 3.25Å; V670-N672 PolarHBondContact O-N 2.84Å; V670-K673 PolarHBondContact O-N 3.47Å; V670-F674 WeakPolarHBondContact O-CB 3.14Å; V670-F674 PolarHBondContact O-N 3Å
671	V	80.2	Confident	80.7	Confident	10 Å²	10	34.6 Å²	34.6	6%	0.061	19%	0.19	C	C	.	.	H	α-helix	trans	-55.9	-47.5	176.6	152.4	0	0	0	0	112.2	L667 N675 L759 F782 F785	L667-V671 HydrophobicContact CD1-CG2 4.41Å; L667-V671 VanDerWaalsContact O-CB 3.27Å; L667-V671 WeakPolarHBondContact O-CB 3.2Å; L667-V671 VanDerWaalsContact O-CG2 3.32Å; L667-V671 WeakPolarHBondContact O-CG2 3.23Å; L667-V671 PolarHBondContact O-N 2.68Å; V671-N675 WeakPolarHBondContact O-CB 3.31Å; V671-N675 PolarHBondContact O-N 3.19Å; V671-L759 HydrophobicContact CG2-CD2 4.27Å; V671-F782 HydrophobicContact CG2-CD2 4.39Å; V671-F782 HydrophobicContact CG2-CE2 3.89Å; V671-F785 HydrophobicContact CB-CE1 4.29Å; V671-F785 HydrophobicContact CG1-CD1 3.67Å; V671-F785 HydrophobicContact CG1-CD2 4.25Å; V671-F785 HydrophobicContact CG1-CE1 3.47Å; V671-F785 VanDerWaalsContact CG1-CE1 3.47Å; V671-F785 HydrophobicContact CG1-CE2 4.09Å; V671-F785 HydrophobicContact CG1-CG 4.06Å; V671-F785 HydrophobicContact CG1-CZ 3.7Å; V671-F785 HydrophobicContact CG2-CD1 4.45Å; V671-F785 HydrophobicContact CG2-CE1 4.13Å
672	N	84.6	Confident	81.5	Confident	24 Å²	24	29.5 Å²	29.5	13%	0.128	16%	0.159	C	C	.	.	H	α-helix	trans	-66.6	-47.6	179.2	-79	-63.4	0	0	0	111.3	V668 S669 V670 F674 N675 F676 F815	V668-N672 WeakPolarHBondContact CG1-ND2 3.4Å; V668-N672 WeakPolarHBondContact O-CB 3.32Å; V668-N672 PolarHBondContact O-N 3.15Å; V668-N672 PolarHBondContact O-ND2 2.91Å; S669-N672 PolarHBondContact O-N 2.91Å; V670-N672 PolarHBondContact O-N 2.84Å; N672-F674 VanDerWaalsContact C-N 3.3Å; N672-F674 PolarHBondContact O-N 3.27Å; N672-N675 PolarHBondContact O-N 3.33Å; N672-F676 WeakPolarHBondContact O-CB 3.49Å; N672-F676 PolarHBondContact O-N 3.12Å; N672-F815 HydrophobicContact CB-CE2 4.01Å; N672-F815 WeakPolarHBondContact O-CE2 3.32Å
673	K	86.1	Confident	82.3	Confident	61 Å²	61	28.8 Å²	28.8	27%	0.265	15%	0.154	S	C	.	.	H	α-helix	trans	-59.1	-40.1	177.9	-72	175.5	-178.7	-174.2	0	112.1	Y653 S669 V670 F676 L677 M713	Y653-K673 HydrophobicContact CE2-CB 4.23Å; Y653-K673 WeakPolarHBondContact OH-CB 3.47Å; S669-K673 WeakPolarHBondContact O-CB 3.44Å; S669-K673 WeakPolarHBondContact O-CG 3.23Å; S669-K673 PolarHBondContact O-N 3.02Å; V670-K673 PolarHBondContact O-N 3.47Å; K673-F676 PolarHBondContact O-N 3.07Å; K673-L677 WeakPolarHBondContact O-CG 3.27Å; K673-L677 PolarHBondContact O-N 3.3Å; K673-M713 HydrophobicContact CG-SD 3.81Å
674	F	83.7	Confident	82.7	Confident	7 Å²	7	25.8 Å²	25.8	3%	0.031	14%	0.136	C	C	.	.	H	α-helix	trans	-67.2	-46.9	175.7	177.9	-106	0	0	0	112.9	Y653 V670 N672 F676 L677 M678 L752 I755 L789	Y653-F674 HydrophobicContact CD2-CB 4.28Å; Y653-F674 HydrophobicContact CE2-CB 4.36Å; V670-F674 WeakPolarHBondContact O-CB 3.14Å; V670-F674 PolarHBondContact O-N 3Å; N672-F674 VanDerWaalsContact C-N 3.3Å; N672-F674 PolarHBondContact O-N 3.27Å; F674-F676 PolarHBondContact O-N 3.36Å; F674-L677 WeakPolarHBondContact O-CB 3.35Å; F674-L677 PolarHBondContact O-N 2.71Å; F674-L677 VanDerWaalsContact O-N 3.15Å; F674-M678 HydrophobicContact CD1-CG 4.25Å; F674-M678 HydrophobicContact CD2-CG 4.27Å; F674-M678 HydrophobicContact CE1-CG 3.58Å; F674-M678 HydrophobicContact CE1-SD 4.47Å; F674-M678 HydrophobicContact CE2-CG 3.57Å; F674-M678 HydrophobicContact CE2-SD 3.79Å; F674-M678 HydrophobicContact CZ-CG 3.19Å; F674-M678 HydrophobicContact CZ-SD 3.55Å; F674-M678 VanDerWaalsContact CZ-SD 3.55Å; F674-M678 PolarHBondContact O-N 3.17Å; F674-L752 HydrophobicContact CE1-CD2 3.99Å; F674-L752 HydrophobicContact CZ-CD2 4.11Å; F674-I755 HydrophobicContact CD1-CB 4.09Å; F674-I755 HydrophobicContact CD1-CG1 4.18Å; F674-I755 HydrophobicContact CD1-CG2 3.61Å; F674-I755 HydrophobicContact CD2-CD1 4.02Å; F674-I755 HydrophobicContact CD2-CG1 3.75Å; F674-I755 HydrophobicContact CE1-CB 3.62Å; F674-I755 HydrophobicContact CE1-CD1 4.27Å; F674-I755 HydrophobicContact CE1-CG1 3.88Å; F674-I755 HydrophobicContact CE1-CG2 3.61Å; F674-I755 HydrophobicContact CE2-CB 4.14Å; F674-I755 HydrophobicContact CE2-CD1 3.27Å; F674-I755 HydrophobicContact CE2-CG1 3.44Å; F674-I755 VanDerWaalsContact CE2-CG1 3.44Å; F674-I755 HydrophobicContact CG-CG1 4.11Å; F674-I755 HydrophobicContact CG-CG2 4.1Å; F674-I755 HydrophobicContact CZ-CB 3.64Å; F674-I755 HydrophobicContact CZ-CD1 3.41Å; F674-I755 VanDerWaalsContact CZ-CD1 3.41Å; F674-I755 HydrophobicContact CZ-CG1 3.49Å; F674-I755 VanDerWaalsContact CZ-CG1 3.49Å; F674-I755 HydrophobicContact CZ-CG2 4.14Å; F674-L789 HydrophobicContact CD1-CD1 4.46Å; F674-L789 HydrophobicContact CE1-CD1 4.3Å
675	N	87.5	Confident	83.4	Confident	0 Å²	0	24.7 Å²	24.7	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-56.8	-42.4	175.5	-172.7	14.9	0	0	0	111	V671 N672 M678 I679 F785 L811 F815	V671-N675 WeakPolarHBondContact O-CB 3.31Å; V671-N675 PolarHBondContact O-N 3.19Å; N672-N675 PolarHBondContact O-N 3.33Å; N675-M678 PolarHBondContact O-N 3.26Å; N675-I679 WeakPolarHBondContact O-CG1 3.38Å; N675-I679 PolarHBondContact O-N 3.24Å; N675-F785 HydrophobicContact CB-CE2 3.79Å; N675-F785 HydrophobicContact CB-CZ 3.97Å; N675-L811 PolarHBondContact ND2-O 3.46Å; N675-L811 WeakPolarHBondContact OD1-CB 3.47Å; N675-L811 PolarHBondContact OD1-O 2.99Å; N675-F815 HydrophobicContact CB-CD2 4.21Å; N675-F815 WeakPolarHBondContact ND2-CB 3.29Å; N675-F815 PolarHBondContact ND2-N 2.81Å
676	F	89.8	Confident	83.9	Confident	1 Å²	1	19 Å²	19	0%	0.004	10%	0.1	C	C	.	.	H	α-helix	trans	-62.2	-44	176.3	-168	-101.1	0	0	0	112.9	N672 K673 F674 M678 I679 Q680 M713 F815 V858 E859 Y862	N672-F676 WeakPolarHBondContact O-CB 3.49Å; N672-F676 PolarHBondContact O-N 3.12Å; K673-F676 PolarHBondContact O-N 3.07Å; F674-F676 PolarHBondContact O-N 3.36Å; F676-M678 VanDerWaalsContact C-N 3.33Å; F676-M678 PolarHBondContact O-N 2.69Å; F676-I679 PolarHBondContact O-N 2.98Å; F676-Q680 HydrophobicContact CD1-CG 4.44Å; F676-Q680 HydrophobicContact CE1-CG 4.14Å; F676-Q680 WeakPolarHBondContact O-CG 3.48Å; F676-Q680 PolarHBondContact O-N 2.81Å; F676-Q680 VanDerWaalsContact O-N 3.1Å; F676-M713 HydrophobicContact CB-SD 4.37Å; F676-M713 HydrophobicContact CD1-CB 3.54Å; F676-M713 HydrophobicContact CD1-CG 4.07Å; F676-M713 HydrophobicContact CE1-CB 3.59Å; F676-M713 HydrophobicContact CE1-CG 4.32Å; F676-M713 HydrophobicContact CG-CB 4.19Å; F676-M713 HydrophobicContact CG-CG 4.22Å; F676-M713 HydrophobicContact CG-SD 4.43Å; F676-M713 HydrophobicContact CZ-CB 4.3Å; F676-F815 HydrophobicContact CB-CD2 4.44Å; F676-F815 HydrophobicContact CB-CE2 3.85Å; F676-F815 HydrophobicContact CB-CZ 4.17Å; F676-F815 AromaticContact CD2-CE1 3.99Å; F676-F815 HydrophobicContact CD2-CE1 3.99Å; F676-F815 HydrophobicContact CD2-CE2 4.22Å; F676-F815 AromaticContact CD2-CZ 3.8Å; F676-F815 HydrophobicContact CD2-CZ 3.8Å; F676-F815 HydrophobicContact CG-CE2 4.47Å; F676-F815 HydrophobicContact CG-CZ 4.32Å; F676-V858 HydrophobicContact CE1-CG1 3.78Å; F676-V858 HydrophobicContact CZ-CG1 3.91Å; F676-E859 HydrophobicContact CE2-CB 4.37Å; F676-E859 HydrophobicContact CE2-CG 4.44Å; F676-E859 HydrophobicContact CZ-CB 4.33Å; F676-Y862 HydrophobicContact CE2-CG 4.24Å; F676-Y862 AromaticContact CZ-CD2 3.86Å; F676-Y862 HydrophobicContact CZ-CD2 3.86Å; F676-Y862 HydrophobicContact CZ-CG 4.01Å
677	L	87.6	Confident	84	Confident	8 Å²	8	15.7 Å²	15.7	4%	0.042	8%	0.084	C	C	.	.	H	α-helix	trans	-59.1	-42.7	172.4	-74.4	164.6	0	0	0	112	V649 Y653 K673 F674 I679 Q680 L681 V705 P714 V716	V649-L677 HydrophobicContact CG1-CD1 3.61Å; Y653-L677 HydrophobicContact CE2-CD1 3.91Å; K673-L677 WeakPolarHBondContact O-CG 3.27Å; K673-L677 PolarHBondContact O-N 3.3Å; F674-L677 WeakPolarHBondContact O-CB 3.35Å; F674-L677 PolarHBondContact O-N 2.71Å; F674-L677 VanDerWaalsContact O-N 3.15Å; L677-I679 PolarHBondContact O-N 3.35Å; L677-Q680 WeakPolarHBondContact O-CB 3.48Å; L677-Q680 PolarHBondContact O-N 2.71Å; L677-Q680 VanDerWaalsContact O-N 3.14Å; L677-L681 WeakPolarHBondContact O-CB 3.48Å; L677-L681 VanDerWaalsContact O-CG 3.3Å; L677-L681 WeakPolarHBondContact O-CG 3.41Å; L677-L681 PolarHBondContact O-N 2.85Å; L677-V705 HydrophobicContact CD2-CG1 3.78Å; L677-V705 HydrophobicContact CD2-CG2 4.19Å; L677-P714 HydrophobicContact CD1-CG 3.99Å; L677-P714 HydrophobicContact CD2-CB 4.08Å; L677-P714 HydrophobicContact CD2-CG 3.73Å; L677-P714 HydrophobicContact CG-CG 3.79Å; L677-V716 HydrophobicContact CD2-CG2 3.73Å
678	M	87.9	Confident	84.1	Confident	0 Å²	0	14.2 Å²	14.2	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-66.7	-35.8	178.2	-71	-59	-40.9	0	0	113.3	F674 N675 F676 Q680 L681 I682 Q751 L752 L811	F674-M678 HydrophobicContact CD1-CG 4.25Å; F674-M678 HydrophobicContact CD2-CG 4.27Å; F674-M678 HydrophobicContact CE1-CG 3.58Å; F674-M678 HydrophobicContact CE1-SD 4.47Å; F674-M678 HydrophobicContact CE2-CG 3.57Å; F674-M678 HydrophobicContact CE2-SD 3.79Å; F674-M678 HydrophobicContact CZ-CG 3.19Å; F674-M678 HydrophobicContact CZ-SD 3.55Å; F674-M678 VanDerWaalsContact CZ-SD 3.55Å; F674-M678 PolarHBondContact O-N 3.17Å; N675-M678 PolarHBondContact O-N 3.26Å; F676-M678 VanDerWaalsContact C-N 3.33Å; F676-M678 PolarHBondContact O-N 2.69Å; M678-Q680 VanDerWaalsContact C-N 3.3Å; M678-Q680 PolarHBondContact O-N 3.04Å; M678-L681 PolarHBondContact O-N 3.14Å; M678-L681 HydrophobicContact SD-CD1 3.84Å; M678-I682 HydrophobicContact CE-CG1 4.38Å; M678-I682 WeakPolarHBondContact O-CB 3.39Å; M678-I682 WeakPolarHBondContact O-CG1 3.29Å; M678-I682 PolarHBondContact O-N 3.21Å; M678-Q751 HydrophobicContact SD-CB 4.34Å; M678-L752 HydrophobicContact CB-CD2 4.24Å; M678-L752 HydrophobicContact CE-CD2 3.84Å; M678-L752 HydrophobicContact CE-CG 3.78Å; M678-L752 HydrophobicContact CG-CD2 3.64Å; M678-L752 HydrophobicContact SD-CD2 4.01Å; M678-L752 HydrophobicContact SD-CG 4.42Å; M678-L811 HydrophobicContact CB-CD1 3.67Å
679	I	90.8	Very high	84.3	Confident	2 Å²	2	16.1 Å²	16.1	1%	0.01	8%	0.084	C	C	.	.	H	α-helix	trans	-59.7	-43.9	170.6	-67.1	163.9	0	0	0	110.1	N675 F676 L677 T683 L811 Q812 F815 Y862	N675-I679 WeakPolarHBondContact O-CG1 3.38Å; N675-I679 PolarHBondContact O-N 3.24Å; F676-I679 PolarHBondContact O-N 2.98Å; L677-I679 PolarHBondContact O-N 3.35Å; I679-T683 WeakPolarHBondContact O-CB 3.23Å; I679-T683 PolarHBondContact O-N 3.06Å; I679-T683 VanDerWaalsContact O-N 3.07Å; I679-T683 PolarHBondContact O-OG1 3.37Å; I679-L811 HydrophobicContact CD1-CB 4.32Å; I679-L811 HydrophobicContact CG1-CB 3.67Å; I679-Q812 HydrophobicContact CD1-CG 3.94Å; I679-Q812 HydrophobicContact CG1-CG 4.04Å; I679-Q812 HydrophobicContact CG2-CG 3.78Å; I679-F815 HydrophobicContact CD1-CB 3.85Å; I679-F815 HydrophobicContact CD1-CG 4.22Å; I679-Y862 HydrophobicContact CG2-CD1 4.18Å
680	Q	88.9	Confident	83.9	Confident	0 Å²	0	14.1 Å²	14.1	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-67.1	-45.6	177.4	-65.3	-178.5	84.6	0	0	112.5	F676 L677 M678 I682 T683 V684 P714 V716 Y862	F676-Q680 HydrophobicContact CD1-CG 4.44Å; F676-Q680 HydrophobicContact CE1-CG 4.14Å; F676-Q680 WeakPolarHBondContact O-CG 3.48Å; F676-Q680 PolarHBondContact O-N 2.81Å; F676-Q680 VanDerWaalsContact O-N 3.1Å; L677-Q680 WeakPolarHBondContact O-CB 3.48Å; L677-Q680 PolarHBondContact O-N 2.71Å; L677-Q680 VanDerWaalsContact O-N 3.14Å; M678-Q680 VanDerWaalsContact C-N 3.3Å; M678-Q680 PolarHBondContact O-N 3.04Å; Q680-I682 PolarHBondContact O-N 2.93Å; Q680-T683 CarbonylContact O-C 3.51Å; Q680-T683 WeakPolarHBondContact O-CA 3.31Å; Q680-T683 VanDerWaalsContact O-CB 3.28Å; Q680-T683 WeakPolarHBondContact O-CB 3.29Å; Q680-T683 PolarHBondContact O-N 3.17Å; Q680-V684 PolarHBondContact O-N 3.48Å; Q680-P714 PolarHBondContact NE2-O 3.3Å; Q680-V716 HydrophobicContact CB-CB 3.81Å; Q680-V716 HydrophobicContact CB-CG2 3.51Å; Q680-V716 HydrophobicContact CG-CG2 4.34Å; Q680-Y862 HydrophobicContact CG-CD1 4.49Å; Q680-Y862 HydrophobicContact CG-CD2 4.2Å; Q680-Y862 HydrophobicContact CG-CE1 4.01Å; Q680-Y862 HydrophobicContact CG-CE2 3.68Å
681	L	85.5	Confident	83.5	Confident	6 Å²	6	16.9 Å²	16.9	3%	0.031	8%	0.082	C	C	.	.	H	α-helix	trans	-61	-44.4	178.5	-73.5	163.7	0	0	0	111.8	T646 L677 M678 T683 V684 F685 I703 V716	T646-L681 HydrophobicContact CG2-CD1 4.39Å; T646-L681 HydrophobicContact CG2-CD2 3.87Å; L677-L681 WeakPolarHBondContact O-CB 3.48Å; L677-L681 VanDerWaalsContact O-CG 3.3Å; L677-L681 WeakPolarHBondContact O-CG 3.41Å; L677-L681 PolarHBondContact O-N 2.85Å; M678-L681 PolarHBondContact O-N 3.14Å; M678-L681 HydrophobicContact SD-CD1 3.84Å; L681-T683 VanDerWaalsContact C-N 3.26Å; L681-T683 PolarHBondContact O-N 2.99Å; L681-V684 CarbonylContact O-C 3.6Å; L681-V684 WeakPolarHBondContact O-CA 3.4Å; L681-V684 VanDerWaalsContact O-CB 3.28Å; L681-V684 WeakPolarHBondContact O-CB 3.49Å; L681-V684 PolarHBondContact O-N 2.63Å; L681-V684 VanDerWaalsContact O-N 3.1Å; L681-F685 HydrophobicContact CB-CE2 3.97Å; L681-F685 HydrophobicContact CB-CZ 3.8Å; L681-F685 HydrophobicContact CD2-CE1 4.47Å; L681-F685 HydrophobicContact CD2-CZ 4.12Å; L681-F685 VanDerWaalsContact O-CD1 3.3Å; L681-F685 WeakPolarHBondContact O-CD1 3.42Å; L681-F685 WeakPolarHBondContact O-CD2 3.44Å; L681-F685 WeakPolarHBondContact O-CE2 3.38Å; L681-F685 WeakPolarHBondContact O-CG 3.22Å; L681-F685 PolarHBondContact O-N 2.98Å; L681-I703 HydrophobicContact CD2-CD1 3.82Å; L681-I703 HydrophobicContact CD2-CG2 4.06Å; L681-V716 HydrophobicContact CD2-CG1 4.17Å; L681-V716 HydrophobicContact CD2-CG2 4.47Å; L681-V716 HydrophobicContact CG-CG2 4.26Å
682	I	88.4	Confident	83.1	Confident	0 Å²	0	19.3 Å²	19.3	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-66.6	-30.8	173.8	-65.7	179.3	0	0	0	111.4	M678 Q680 F685 K686 A748 L796 L804 A807 Q808 L811	M678-I682 HydrophobicContact CE-CG1 4.38Å; M678-I682 WeakPolarHBondContact O-CB 3.39Å; M678-I682 WeakPolarHBondContact O-CG1 3.29Å; M678-I682 PolarHBondContact O-N 3.21Å; Q680-I682 PolarHBondContact O-N 2.93Å; I682-F685 HydrophobicContact CG1-CD2 4.38Å; I682-F685 PolarHBondContact O-N 2.73Å; I682-K686 HydrophobicContact CG2-CD 4.25Å; I682-K686 WeakPolarHBondContact O-CB 3.35Å; I682-K686 VanDerWaalsContact O-CG 3.32Å; I682-K686 WeakPolarHBondContact O-CG 3.4Å; I682-K686 PolarHBondContact O-N 3.1Å; I682-A748 HydrophobicContact CG1-CB 4.4Å; I682-L796 HydrophobicContact CD1-CD1 4.09Å; I682-L804 HydrophobicContact CG2-CB 4.05Å; I682-L804 HydrophobicContact CG2-CD2 3.99Å; I682-L804 WeakPolarHBondContact CG2-O 3.11Å; I682-A807 HydrophobicContact CD1-CB 4Å; I682-Q808 HydrophobicContact CG2-CB 3.78Å; I682-Q808 HydrophobicContact CG2-CG 4.36Å; I682-L811 HydrophobicContact CD1-CD1 3.75Å
683	T	85.6	Confident	82.6	Confident	23 Å²	23	19.6 Å²	19.6	14%	0.141	11%	0.111	C	C	.	.	H	α-helix	trans	-66.8	-38.9	171.2	-47.7	0	0	0	0	111.3	F591 I679 Q680 L681 F687 Q808 Y862	F591-T683 HydrophobicContact CZ-CG2 3.75Å; I679-T683 WeakPolarHBondContact O-CB 3.23Å; I679-T683 PolarHBondContact O-N 3.06Å; I679-T683 VanDerWaalsContact O-N 3.07Å; I679-T683 PolarHBondContact O-OG1 3.37Å; Q680-T683 CarbonylContact O-C 3.51Å; Q680-T683 WeakPolarHBondContact O-CA 3.31Å; Q680-T683 VanDerWaalsContact O-CB 3.28Å; Q680-T683 WeakPolarHBondContact O-CB 3.29Å; Q680-T683 PolarHBondContact O-N 3.17Å; L681-T683 VanDerWaalsContact C-N 3.26Å; L681-T683 PolarHBondContact O-N 2.99Å; T683-F687 WeakPolarHBondContact O-CB 3.41Å; T683-F687 PolarHBondContact O-N 3.36Å; T683-Q808 PolarHBondContact OG1-NE2 2.96Å; T683-Y862 HydrophobicContact CG2-CE1 4.27Å
684	V	80.3	Confident	82.1	Confident	0 Å²	0	22.8 Å²	22.8	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-59.6	-48.2	170.4	160.3	0	0	0	0	110.6	F591 Q680 L681 K686 F687 L688 I703 V716 L718	F591-V684 HydrophobicContact CD1-CG2 3.72Å; F591-V684 HydrophobicContact CE1-CB 4.43Å; F591-V684 HydrophobicContact CE1-CG2 3.31Å; F591-V684 HydrophobicContact CE2-CG2 4.23Å; F591-V684 HydrophobicContact CG-CG2 4.33Å; F591-V684 HydrophobicContact CZ-CB 4.35Å; F591-V684 HydrophobicContact CZ-CG2 3.6Å; Q680-V684 PolarHBondContact O-N 3.48Å; L681-V684 CarbonylContact O-C 3.6Å; L681-V684 WeakPolarHBondContact O-CA 3.4Å; L681-V684 VanDerWaalsContact O-CB 3.28Å; L681-V684 WeakPolarHBondContact O-CB 3.49Å; L681-V684 PolarHBondContact O-N 2.63Å; L681-V684 VanDerWaalsContact O-N 3.1Å; V684-K686 PolarHBondContact O-N 2.85Å; V684-F687 CarbonylContact O-C 3.56Å; V684-F687 WeakPolarHBondContact O-CA 3.34Å; V684-F687 WeakPolarHBondContact O-CB 3.36Å; V684-F687 PolarHBondContact O-N 3.02Å; V684-L688 HydrophobicContact CG1-CD1 4.29Å; V684-L688 HydrophobicContact CG1-CG 4.38Å; V684-L688 WeakPolarHBondContact O-CG 3.48Å; V684-L688 PolarHBondContact O-N 3.48Å; V684-I703 HydrophobicContact CG1-CD1 4.07Å; V684-V716 HydrophobicContact CG2-CG1 3.84Å; V684-L718 HydrophobicContact CB-CD1 4.35Å; V684-L718 HydrophobicContact CG1-CD1 3.93Å; V684-L718 HydrophobicContact CG1-CD2 3.7Å; V684-L718 HydrophobicContact CG1-CG 4Å; V684-L718 HydrophobicContact CG2-CD1 3.91Å; V684-L718 HydrophobicContact CG2-CD2 4.42Å; V684-L718 HydrophobicContact CG2-CG 3.87Å
685	F	83.2	Confident	81.8	Confident	0 Å²	0	26.6 Å²	26.6	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-67.5	-39.8	-177.2	-52.8	-25.9	0	0	0	112.3	L681 I682 F687 L688 Q689 L700 I703 L744 A748 L804	L681-F685 HydrophobicContact CB-CE2 3.97Å; L681-F685 HydrophobicContact CB-CZ 3.8Å; L681-F685 HydrophobicContact CD2-CE1 4.47Å; L681-F685 HydrophobicContact CD2-CZ 4.12Å; L681-F685 VanDerWaalsContact O-CD1 3.3Å; L681-F685 WeakPolarHBondContact O-CD1 3.42Å; L681-F685 WeakPolarHBondContact O-CD2 3.44Å; L681-F685 WeakPolarHBondContact O-CE2 3.38Å; L681-F685 WeakPolarHBondContact O-CG 3.22Å; L681-F685 PolarHBondContact O-N 2.98Å; I682-F685 HydrophobicContact CG1-CD2 4.38Å; I682-F685 PolarHBondContact O-N 2.73Å; F685-F687 PolarHBondContact O-N 3.27Å; F685-L688 PolarHBondContact O-N 3.26Å; F685-Q689 WeakPolarHBondContact O-CB 3.46Å; F685-Q689 PolarHBondContact O-N 2.82Å; F685-L700 HydrophobicContact CD1-CD1 3.86Å; F685-L700 HydrophobicContact CE1-CD1 3.28Å; F685-L700 HydrophobicContact CE1-CG 4.47Å; F685-L700 HydrophobicContact CZ-CD1 3.84Å; F685-I703 HydrophobicContact CE1-CD1 4.05Å; F685-L744 HydrophobicContact CB-CB 4.18Å; F685-L744 HydrophobicContact CB-CD1 4.29Å; F685-L744 WeakPolarHBondContact O-CD1 3.36Å; F685-A748 HydrophobicContact CD2-CB 3.6Å; F685-A748 HydrophobicContact CE2-CB 3.5Å; F685-A748 VanDerWaalsContact CE2-CB 3.5Å; F685-L804 HydrophobicContact CB-CD1 4.11Å; F685-L804 HydrophobicContact CB-CD2 3.97Å; F685-L804 HydrophobicContact CD2-CD2 4.17Å
686	K	83.9	Confident	81.1	Confident	42 Å²	42	27.5 Å²	27.5	18%	0.183	15%	0.15	C	C	.	.	H	α-helix	trans	-61.6	-31.9	170	-72.9	175.3	56.5	161.7	0	112.3	I682 V684 S690 L804 T805	I682-K686 HydrophobicContact CG2-CD 4.25Å; I682-K686 WeakPolarHBondContact O-CB 3.35Å; I682-K686 VanDerWaalsContact O-CG 3.32Å; I682-K686 WeakPolarHBondContact O-CG 3.4Å; I682-K686 PolarHBondContact O-N 3.1Å; V684-K686 PolarHBondContact O-N 2.85Å; K686-S690 PolarHBondContact O-N 2.72Å; K686-L804 HydrophobicContact CD-CB 4.12Å; K686-L804 HydrophobicContact CG-CB 3.69Å; K686-L804 HydrophobicContact CG-CD1 4.2Å; K686-T805 WeakPolarHBondContact CE-OG1 3.43Å; K686-T805 PolarHBondContact NZ-OG1 2.89Å
687	F	78	Confident	79.9	Confident	18 Å²	18	30.7 Å²	30.7	8%	0.079	16%	0.164	C	C	.	.	H	α-helix	trans	-72.1	-44.1	172.6	178.3	-93.4	0	0	0	112.3	M589 F591 T683 V684 F685 Q689 S690 M691 L718 W720	M589-F687 HydrophobicContact CE-CD2 3.55Å; M589-F687 HydrophobicContact CE-CE2 4.15Å; M589-F687 HydrophobicContact CE-CG 4.03Å; F591-F687 HydrophobicContact CE2-CB 4.26Å; T683-F687 WeakPolarHBondContact O-CB 3.41Å; T683-F687 PolarHBondContact O-N 3.36Å; V684-F687 CarbonylContact O-C 3.56Å; V684-F687 WeakPolarHBondContact O-CA 3.34Å; V684-F687 WeakPolarHBondContact O-CB 3.36Å; V684-F687 PolarHBondContact O-N 3.02Å; F685-F687 PolarHBondContact O-N 3.27Å; F687-Q689 VanDerWaalsContact C-N 3.31Å; F687-Q689 PolarHBondContact O-N 2.95Å; F687-S690 WeakPolarHBondContact CE2-OG 3.38Å; F687-S690 WeakPolarHBondContact O-CA 3.49Å; F687-S690 WeakPolarHBondContact O-CB 3.32Å; F687-S690 PolarHBondContact O-N 2.73Å; F687-S690 PolarHBondContact O-OG 3.1Å; F687-M691 HydrophobicContact CE1-CG 3.75Å; F687-M691 HydrophobicContact CE1-SD 4.3Å; F687-M691 HydrophobicContact CE2-CG 4.48Å; F687-M691 HydrophobicContact CE2-SD 4.34Å; F687-M691 HydrophobicContact CZ-CG 3.63Å; F687-M691 HydrophobicContact CZ-SD 3.61Å; F687-M691 PolarHBondContact O-N 2.8Å; F687-L718 HydrophobicContact CD1-CD1 4.13Å; F687-W720 HydrophobicContact CD1-CH2 4.2Å; F687-W720 HydrophobicContact CD1-CZ3 4.49Å; F687-W720 HydrophobicContact CE1-CE3 4.23Å; F687-W720 AromaticContact CE1-CH2 3.26Å; F687-W720 HydrophobicContact CE1-CH2 3.26Å; F687-W720 HydrophobicContact CE1-CZ2 4.17Å; F687-W720 AromaticContact CE1-CZ3 3.3Å; F687-W720 HydrophobicContact CE1-CZ3 3.3Å; F687-W720 HydrophobicContact CE2-CH2 4.11Å; F687-W720 AromaticContact CZ-CH2 3.22Å; F687-W720 HydrophobicContact CZ-CH2 3.22Å; F687-W720 HydrophobicContact CZ-CZ2 4.4Å; F687-W720 AromaticContact CZ-CZ3 3.35Å; F687-W720 HydrophobicContact CZ-CZ3 3.35Å
688	L	77.1	Confident	78.5	Confident	9 Å²	9	32.1 Å²	32.1	5%	0.047	17%	0.172	C	C	.	.	H	α-helix	trans	-60.9	-41	175.2	-65.2	-176.8	0	0	0	111.6	V684 F685 S690 M691 I693 V723 L744	V684-L688 HydrophobicContact CG1-CD1 4.29Å; V684-L688 HydrophobicContact CG1-CG 4.38Å; V684-L688 WeakPolarHBondContact O-CG 3.48Å; V684-L688 PolarHBondContact O-N 3.48Å; F685-L688 PolarHBondContact O-N 3.26Å; L688-S690 PolarHBondContact O-N 3.07Å; L688-M691 WeakPolarHBondContact O-CA 3.27Å; L688-M691 WeakPolarHBondContact O-CB 3.47Å; L688-M691 PolarHBondContact O-N 3.14Å; L688-I693 CarbonylContact C-O 3.6Å; L688-I693 HydrophobicContact CB-CB 4.22Å; L688-I693 HydrophobicContact CB-CG2 4.45Å; L688-I693 HydrophobicContact CD2-CD1 4.17Å; L688-I693 WeakPolarHBondContact O-CB 3.39Å; L688-I693 PolarHBondContact O-N 2.96Å; L688-I693 VanDerWaalsContact O-N 3.15Å; L688-V723 HydrophobicContact CD1-CG1 4.2Å; L688-V723 HydrophobicContact CD2-CG1 4.05Å; L688-L744 HydrophobicContact CB-CD1 3.74Å; L688-L744 HydrophobicContact CD1-CD2 4.36Å
689	Q	79.9	Confident	77	Confident	63 Å²	63	34.6 Å²	34.6	29%	0.294	19%	0.185	S	C	.	.	H	α-helix	trans	-58.7	-29	172.6	-162.9	-177.5	16.7	0	0	112.6	F685 F687 M691 G692 I693	F685-Q689 WeakPolarHBondContact O-CB 3.46Å; F685-Q689 PolarHBondContact O-N 2.82Å; F687-Q689 VanDerWaalsContact C-N 3.31Å; F687-Q689 PolarHBondContact O-N 2.95Å; Q689-M691 VanDerWaalsContact C-N 3.3Å; Q689-M691 PolarHBondContact O-N 3.47Å; Q689-G692 PolarHBondContact O-N 3.33Å; Q689-I693 WeakPolarHBondContact CA-O 3.49Å; Q689-I693 PolarHBondContact N-O 3.15Å
690	S	73.1	Confident	75.5	Confident	10 Å²	10	35.1 Å²	35.1	7%	0.07	19%	0.188	C	C	.	.	H	α-helix	trans	-65.8	-32.2	172.4	81.9	0	0	0	0	113.8	L363 F366 K686 F687 L688 G692	L363-S690 VanDerWaalsContact CB-CB 3.47Å; F366-S690 WeakPolarHBondContact CE2-O 3.47Å; K686-S690 PolarHBondContact O-N 2.72Å; F687-S690 WeakPolarHBondContact CE2-OG 3.38Å; F687-S690 WeakPolarHBondContact O-CA 3.49Å; F687-S690 WeakPolarHBondContact O-CB 3.32Å; F687-S690 PolarHBondContact O-N 2.73Å; F687-S690 PolarHBondContact O-OG 3.1Å; L688-S690 PolarHBondContact O-N 3.07Å; S690-G692 PolarHBondContact O-N 2.76Å
691	M	70.7	Confident	74	Confident	70 Å²	70	37.9 Å²	37.9	35%	0.345	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.9	3.9	-178.9	-58.2	-62.5	-66.9	0	0	112	F366 F687 L688 Q689 I693 F724	F366-M691 HydrophobicContact CE1-SD 4.5Å; F366-M691 HydrophobicContact CZ-SD 3.75Å; F687-M691 HydrophobicContact CE1-CG 3.75Å; F687-M691 HydrophobicContact CE1-SD 4.3Å; F687-M691 HydrophobicContact CE2-CG 4.48Å; F687-M691 HydrophobicContact CE2-SD 4.34Å; F687-M691 HydrophobicContact CZ-CG 3.63Å; F687-M691 HydrophobicContact CZ-SD 3.61Å; F687-M691 PolarHBondContact O-N 2.8Å; L688-M691 WeakPolarHBondContact O-CA 3.27Å; L688-M691 WeakPolarHBondContact O-CB 3.47Å; L688-M691 PolarHBondContact O-N 3.14Å; Q689-M691 VanDerWaalsContact C-N 3.3Å; Q689-M691 PolarHBondContact O-N 3.47Å; M691-I693 HydrophobicContact CB-CD1 4.23Å; M691-I693 HydrophobicContact CB-CG1 4.41Å; M691-F724 HydrophobicContact CB-CZ 4.43Å; M691-F724 HydrophobicContact CE-CZ 3.99Å
692	G	72	Confident	72.8	Confident	62 Å²	62	40.2 Å²	40.2	64%	0.639	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	83	11.1	-174.4	0	0	0	0	0	114.3	Q689 S690 E694	Q689-G692 PolarHBondContact O-N 3.33Å; S690-G692 PolarHBondContact O-N 2.76Å; G692-E694 PolarHBondContact O-N 3.48Å
693	I	73.9	Confident	72.1	Confident	30 Å²	30	40.6 Å²	40.6	15%	0.154	22%	0.215	C	C	.	.			trans	-91.3	102	178.6	-57	165.5	0	0	0	108	L688 Q689 M691 V723 F724 L744	L688-I693 CarbonylContact C-O 3.6Å; L688-I693 HydrophobicContact CB-CB 4.22Å; L688-I693 HydrophobicContact CB-CG2 4.45Å; L688-I693 HydrophobicContact CD2-CD1 4.17Å; L688-I693 WeakPolarHBondContact O-CB 3.39Å; L688-I693 PolarHBondContact O-N 2.96Å; L688-I693 VanDerWaalsContact O-N 3.15Å; Q689-I693 WeakPolarHBondContact CA-O 3.49Å; Q689-I693 PolarHBondContact N-O 3.15Å; M691-I693 HydrophobicContact CB-CD1 4.23Å; M691-I693 HydrophobicContact CB-CG1 4.41Å; I693-V723 HydrophobicContact CD1-CG1 3.99Å; I693-F724 HydrophobicContact CD1-CE1 4.15Å; I693-F724 HydrophobicContact CD1-CZ 4.17Å; I693-L744 WeakPolarHBondContact O-CD1 3.45Å
694	E	76.4	Confident	71.6	Confident	127 Å²	127	39.7 Å²	39.7	59%	0.593	21%	0.21	S	C	*	.			trans	-97.6	-22.4	179.1	-57	-161	132	0	0	113.1	G692 P743 L744	G692-E694 PolarHBondContact O-N 3.48Å; E694-P743 VanDerWaalsContact O-CA 3.31Å; E694-P743 WeakPolarHBondContact O-CA 3.32Å; E694-L744 PolarHBondContact O-N 3.46Å
695	E	77.8	Confident	71.7	Confident	87 Å²	87	39.7 Å²	39.7	41%	0.407	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	155.7	-178.5	-53.8	-173.6	138.3	0	0	112.5	K741 L742 P743	E695-K741 HydrophobicContact CB-CB 4.14Å; E695-K741 HydrophobicContact CB-CD 4.27Å; E695-K741 WeakPolarHBondContact OE2-CB 3.47Å; E695-K741 VanDerWaalsContact OE2-CD 3.24Å; E695-K741 WeakPolarHBondContact OE2-CD 3.39Å; E695-L742 CarbonylContact C-O 3.55Å; E695-L742 VanDerWaalsContact CA-O 3.28Å; E695-L742 WeakPolarHBondContact CA-O 3.17Å; E695-P743 HydrophobicContact CG-CG 4.34Å
696	T	72.1	Confident	71.7	Confident	19 Å²	19	39.8 Å²	39.8	12%	0.117	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	146.4	168.8	177.2	0	0	0	0	111	N698 L700 K741 L742 L744 V747	T696-N698 WeakPolarHBondContact CG2-O 3.3Å; T696-N698 PolarHBondContact OG1-N 2.93Å; T696-N698 PolarHBondContact OG1-O 3.44Å; T696-L700 HydrophobicContact CG2-CD1 4.33Å; T696-L700 HydrophobicContact CG2-CD2 4.46Å; T696-L700 HydrophobicContact CG2-CG 4.35Å; T696-K741 WeakPolarHBondContact O-CA 3.33Å; T696-L742 PolarHBondContact N-O 3.02Å; T696-L742 PolarHBondContact O-N 3.08Å; T696-L744 HydrophobicContact CG2-CD2 4.13Å; T696-V747 HydrophobicContact CG2-CG2 3.85Å
697	K	64.2	Low	71.7	Confident	69 Å²	69	40 Å²	40	30%	0.3	21%	0.212	S	C	.	.	S	Bend	trans	-82.7	-32.6	164.3	-61.1	-178.8	-166.5	155.8	0	112.3	D726 K741	K697-D726 WeakPolarHBondContact CE-OD1 3.33Å; K697-D726 IonicContact NZ-OD1 2.67Å; K697-D726 PolarHBondContact NZ-OD1 3.17Å; K697-K741 HydrophobicContact CG-CG 3.67Å
698	N	59.2	Low	71.7	Confident	37 Å²	37	40.1 Å²	40.1	20%	0.198	21%	0.213	C	C	.	.	S	Bend	trans	-82.2	131.8	-173.5	-55.4	-78.7	0	0	0	108.5	R551 T696 D726	R551-N698 VanDerWaalsContact CZ-OD1 3.28Å; R551-N698 PolarHBondContact NH1-OD1 3.17Å; R551-N698 PolarHBondContact NH2-OD1 2.74Å; T696-N698 WeakPolarHBondContact CG2-O 3.3Å; T696-N698 PolarHBondContact OG1-N 2.93Å; T696-N698 PolarHBondContact OG1-O 3.44Å; N698-D726 PolarHBondContact ND2-OD2 3.36Å
699	D	56.6	Low	71.4	Confident	52 Å²	52	47 Å²	47	28%	0.278	25%	0.245	S	C	.	.			trans	-57.4	141.6	162.2	-54.7	-18	0	0	0	107.6	E701 R739	D699-E701 HydrophobicContact CB-CB 4.44Å; D699-E701 HydrophobicContact CB-CG 3.69Å; D699-E701 PolarHBondContact O-N 3.1Å; D699-R739 IonicContact OD1-CZ 3.69Å; D699-R739 IonicContact OD1-NH1 3.85Å; D699-R739 PolarHBondContact OD1-NH1 2.89Å; D699-R739 IonicContact OD2-CZ 2.66Å; D699-R739 VanDerWaalsContact OD2-CZ 3.25Å; D699-R739 IonicContact OD2-NH1 2.83Å; D699-R739 PolarHBondContact OD2-NH1 3.42Å; D699-R739 IonicContact OD2-NH2 3.86Å; D699-R739 PolarHBondContact OD2-NH2 3.1Å; D699-R739 VanDerWaalsContact OD2-NH2 3.14Å
700	L	59.6	Low	70.9	Confident	14 Å²	14	47.6 Å²	47.6	7%	0.073	26%	0.26	C	S	.	.	G	3₁₀ helix	trans	-82.6	37.1	-178.2	-62.2	169	0	0	0	111.1	T646 F685 T696 D702 I703 L744 V747	T646-L700 PolarHBondContact OG1-O 3.47Å; F685-L700 HydrophobicContact CD1-CD1 3.86Å; F685-L700 HydrophobicContact CE1-CD1 3.28Å; F685-L700 HydrophobicContact CE1-CG 4.47Å; F685-L700 HydrophobicContact CZ-CD1 3.84Å; T696-L700 HydrophobicContact CG2-CD1 4.33Å; T696-L700 HydrophobicContact CG2-CD2 4.46Å; T696-L700 HydrophobicContact CG2-CG 4.35Å; L700-D702 VanDerWaalsContact C-N 3.34Å; L700-I703 HydrophobicContact CB-CD1 3.77Å; L700-I703 HydrophobicContact CB-CG1 4.07Å; L700-I703 HydrophobicContact CD2-CD1 4.33Å; L700-I703 HydrophobicContact CG-CD1 4.42Å; L700-I703 WeakPolarHBondContact O-CB 3.47Å; L700-I703 PolarHBondContact O-N 3.02Å; L700-L744 HydrophobicContact CD1-CD2 4.32Å; L700-V747 HydrophobicContact CB-CG1 4.41Å; L700-V747 HydrophobicContact CD1-CB 4.35Å; L700-V747 HydrophobicContact CD1-CG1 3.75Å; L700-V747 HydrophobicContact CG-CG1 4.06Å
701	E	55.9	Low	70.9	Confident	58 Å²	58	47.7 Å²	47.7	27%	0.271	26%	0.26	S	S	.	.	G	3₁₀ helix	trans	-68.9	-34.1	171.3	-64	-176.3	179.3	0	0	110.5	T645 K647 D699 I703	T645-E701 WeakPolarHBondContact CB-O 3.38Å; T645-E701 VanDerWaalsContact CG2-O 3.24Å; T645-E701 WeakPolarHBondContact CG2-O 3.46Å; K647-E701 HydrophobicContact CB-CG 4.22Å; K647-E701 VanDerWaalsContact CD-CD 3.49Å; K647-E701 HydrophobicContact CD-CG 4.09Å; K647-E701 WeakPolarHBondContact CD-OE2 2.92Å; K647-E701 WeakPolarHBondContact CE-OE1 3.4Å; K647-E701 IonicContact NZ-OE1 3.14Å; K647-E701 PolarHBondContact NZ-OE1 3.27Å; K647-E701 IonicContact NZ-OE2 3.25Å; K647-E701 PolarHBondContact NZ-OE2 3.34Å; D699-E701 HydrophobicContact CB-CB 4.44Å; D699-E701 HydrophobicContact CB-CG 3.69Å; D699-E701 PolarHBondContact O-N 3.1Å; E701-I703 PolarHBondContact O-N 2.94Å; E701-I703 VanDerWaalsContact O-N 3.12Å
702	D	61	Low	71.3	Confident	54 Å²	54	52.2 Å²	52.2	29%	0.289	27%	0.274	S	S	.	.	G	3₁₀ helix	trans	-71.8	2.4	174.6	-65.3	-45.1	0	0	0	113.8	R551 L700 V704	R551-D702 IonicContact CZ-OD2 2.73Å; R551-D702 IonicContact NE-OD2 3.01Å; R551-D702 PolarHBondContact NE-OD2 3.33Å; R551-D702 IonicContact NH2-OD2 2.73Å; R551-D702 PolarHBondContact NH2-OD2 3.23Å; L700-D702 VanDerWaalsContact C-N 3.34Å; D702-V704 PolarHBondContact O-N 2.97Å
703	I	72.7	Confident	71.8	Confident	9 Å²	9	50.4 Å²	50.4	5%	0.046	25%	0.249	C	C	.	.	P	Polyproline II helix	trans	-74.1	117.7	169.6	-67.6	-174.5	0	0	0	109.1	T646 L681 V684 F685 L700 E701 V716	T646-I703 HydrophobicContact CG2-CB 3.77Å; T646-I703 HydrophobicContact CG2-CG2 3.8Å; T646-I703 PolarHBondContact N-O 3.15Å; T646-I703 VanDerWaalsContact N-O 3.14Å; L681-I703 HydrophobicContact CD2-CD1 3.82Å; L681-I703 HydrophobicContact CD2-CG2 4.06Å; V684-I703 HydrophobicContact CG1-CD1 4.07Å; F685-I703 HydrophobicContact CE1-CD1 4.05Å; L700-I703 HydrophobicContact CB-CD1 3.77Å; L700-I703 HydrophobicContact CB-CG1 4.07Å; L700-I703 HydrophobicContact CD2-CD1 4.33Å; L700-I703 HydrophobicContact CG-CD1 4.42Å; L700-I703 WeakPolarHBondContact O-CB 3.47Å; L700-I703 PolarHBondContact O-N 3.02Å; E701-I703 PolarHBondContact O-N 2.94Å; E701-I703 VanDerWaalsContact O-N 3.12Å; I703-V716 HydrophobicContact CG2-CG1 3.51Å
704	V	76.5	Confident	72.2	Confident	3 Å²	3	49.1 Å²	49.1	2%	0.018	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	121.5	179.5	-177.4	0	0	0	0	110.3	L548 Y555 L643 D702 T717 E719	L548-V704 HydrophobicContact CD2-CB 4.33Å; L548-V704 HydrophobicContact CD2-CG1 3.71Å; L548-V704 HydrophobicContact CD2-CG2 3.86Å; Y555-V704 HydrophobicContact CE2-CG2 4.41Å; L643-V704 HydrophobicContact CD2-CG1 3.81Å; D702-V704 PolarHBondContact O-N 2.97Å; V704-T717 PolarHBondContact O-N 2.78Å; V704-T717 PolarHBondContact O-OG1 2.83Å; V704-E719 HydrophobicContact CG2-CG 4.47Å
705	V	82.8	Confident	72.4	Confident	1 Å²	1	44.7 Å²	44.7	1%	0.006	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	127	167.9	-175.5	0	0	0	0	108.5	C644 T646 V649 L677 P714 R715	C644-V705 PolarHBondContact N-O 2.96Å; C644-V705 PolarHBondContact O-N 2.91Å; T646-V705 HydrophobicContact CG2-CG2 3.94Å; V649-V705 HydrophobicContact CG2-CB 3.9Å; V649-V705 HydrophobicContact CG2-CG1 3.97Å; V649-V705 HydrophobicContact CG2-CG2 4.12Å; L677-V705 HydrophobicContact CD2-CG1 3.78Å; L677-V705 HydrophobicContact CD2-CG2 4.19Å; V705-P714 HydrophobicContact CG1-CB 3.73Å; V705-R715 WeakPolarHBondContact CA-O 3.43Å
706	M	83	Confident	72.5	Confident	1 Å²	1	40.6 Å²	40.6	1%	0.005	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	117.3	179	-178.7	-168.5	62.6	0	0	109.4	L593 P594 A641 L643 M708 R715 T717	L593-M706 HydrophobicContact CD2-CE 3.89Å; L593-M706 HydrophobicContact CD2-SD 3.36Å; L593-M706 WeakPolarHBondContact CD2-SD 3.31Å; P594-M706 HydrophobicContact CG-CE 4.14Å; A641-M706 HydrophobicContact CB-CG 3.42Å; A641-M706 VanDerWaalsContact CB-CG 3.42Å; A641-M706 HydrophobicContact CB-SD 3.96Å; L643-M706 HydrophobicContact CD2-CB 3.63Å; L643-M706 HydrophobicContact CD2-CG 3.67Å; M706-M708 HydrophobicContact CE-CG 3.71Å; M706-M708 HydrophobicContact CE-SD 3.55Å; M706-M708 VanDerWaalsContact CE-SD 3.55Å; M706-M708 HydrophobicContact CG-CG 4.26Å; M706-M708 HydrophobicContact SD-CG 3.97Å; M706-M708 HydrophobicContact SD-SD 4.31Å; M706-R715 HydrophobicContact CE-CB 4.03Å; M706-R715 HydrophobicContact CE-CG 4.41Å; M706-R715 PolarHBondContact N-O 2.9Å; M706-R715 WeakPolarHBondContact O-CB 3.27Å; M706-R715 PolarHBondContact O-N 2.82Å; M706-T717 HydrophobicContact CB-CG2 4.32Å
707	Q	83.6	Confident	72.5	Confident	46 Å²	46	39.8 Å²	39.8	22%	0.215	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	108.1	171.3	173.8	65	75.9	0	0	108.3	A641 T642 D711 P714	A641-Q707 CarbonylContact C-O 3.53Å; A641-Q707 WeakPolarHBondContact CA-O 3.38Å; T642-Q707 PolarHBondContact N-O 3.21Å; T642-Q707 PolarHBondContact O-N 3.39Å; T642-Q707 WeakPolarHBondContact OG1-CB 3.39Å; T642-Q707 PolarHBondContact OG1-O 3.24Å; Q707-D711 PolarHBondContact NE2-O 3.2Å; Q707-P714 HydrophobicContact CB-CB 4.33Å
708	M	77.5	Confident	72.5	Confident	21 Å²	21	36.9 Å²	36.9	10%	0.103	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	154.2	173.9	-62.3	170.8	67.7	0	0	110.1	P594 P639 A641 M706 A710 D711	P594-M708 HydrophobicContact CG-CE 3.86Å; P594-M708 HydrophobicContact CG-SD 3.68Å; P639-M708 HydrophobicContact CB-CE 3.93Å; P639-M708 HydrophobicContact CG-CE 3.88Å; A641-M708 HydrophobicContact CB-CG 4.05Å; M706-M708 HydrophobicContact CE-CG 3.71Å; M706-M708 HydrophobicContact CE-SD 3.55Å; M706-M708 VanDerWaalsContact CE-SD 3.55Å; M706-M708 HydrophobicContact CG-CG 4.26Å; M706-M708 HydrophobicContact SD-CG 3.97Å; M706-M708 HydrophobicContact SD-SD 4.31Å; M708-A710 PolarHBondContact O-N 3.23Å; M708-D711 HydrophobicContact CB-CB 4.14Å; M708-D711 PolarHBondContact O-N 2.95Å; M708-D711 VanDerWaalsContact SD-OD2 3.35Å
709	E	71.7	Confident	72.7	Confident	153 Å²	153	35.7 Å²	35.7	72%	0.715	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-28.8	175.9	-66.3	168.4	-173.8	0	0	112.5	K640	K640-E709 WeakPolarHBondContact CG-OE1 3.35Å
710	A	68.4	Low	72.6	Confident	76 Å²	76	35 Å²	35	63%	0.628	17%	0.17	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89	-16.8	179.4	0	0	0	0	0	114.8	M708	M708-A710 PolarHBondContact O-N 3.23Å
711	D	74.2	Confident	72.1	Confident	12 Å²	12	36.2 Å²	36.2	6%	0.064	18%	0.177	C	C	.	.			trans	-89.4	125	-179.2	-89.7	-38.8	0	0	0	110.4	Q707 M708 M713 R715 D857 V858	Q707-D711 PolarHBondContact NE2-O 3.2Å; M708-D711 HydrophobicContact CB-CB 4.14Å; M708-D711 PolarHBondContact O-N 2.95Å; M708-D711 VanDerWaalsContact SD-OD2 3.35Å; D711-M713 PolarHBondContact O-N 3.44Å; D711-R715 IonicContact OD1-NH2 3.56Å; D711-R715 IonicContact OD2-CZ 3.61Å; D711-R715 IonicContact OD2-NE 3.48Å; D711-R715 IonicContact OD2-NH2 3.67Å; D711-R715 PolarHBondContact OD2-NH2 3.38Å; D711-D857 WeakPolarHBondContact OD1-CA 3.35Å; D711-D857 WeakPolarHBondContact OD1-CB 3.29Å; D711-V858 WeakPolarHBondContact OD1-CG2 3.31Å; D711-V858 PolarHBondContact OD1-N 2.87Å; D711-V858 VanDerWaalsContact OD1-N 3.07Å; D711-V858 WeakPolarHBondContact OD2-CG2 3.11Å
712	R	77.2	Confident	71.6	Confident	166 Å²	166	34.1 Å²	34.1	63%	0.626	17%	0.169	S	C	*	.	S	Bend	trans	-64	-25.7	177.2	-67.8	177.4	170	-151.7	-5.3	113.9
713	M	82.7	Confident	70.8	Confident	24 Å²	24	33.5 Å²	33.5	12%	0.118	17%	0.167	C	C	.	.	S	Bend	trans	-131.1	145.9	-176.4	-67.5	-69.2	164.1	0	0	110.3	K673 F676 D711 F815 E859	K673-M713 HydrophobicContact CG-SD 3.81Å; F676-M713 HydrophobicContact CB-SD 4.37Å; F676-M713 HydrophobicContact CD1-CB 3.54Å; F676-M713 HydrophobicContact CD1-CG 4.07Å; F676-M713 HydrophobicContact CE1-CB 3.59Å; F676-M713 HydrophobicContact CE1-CG 4.32Å; F676-M713 HydrophobicContact CG-CB 4.19Å; F676-M713 HydrophobicContact CG-CG 4.22Å; F676-M713 HydrophobicContact CG-SD 4.43Å; F676-M713 HydrophobicContact CZ-CB 4.3Å; D711-M713 PolarHBondContact O-N 3.44Å; M713-F815 HydrophobicContact CE-CZ 4.18Å; M713-E859 HydrophobicContact CB-CB 4.29Å; M713-E859 WeakPolarHBondContact CE-OE2 3.39Å; M713-E859 HydrophobicContact CG-CB 3.87Å; M713-E859 HydrophobicContact CG-CG 4.3Å; M713-E859 WeakPolarHBondContact CG-OE2 3.39Å
714	P	82.8	Confident	69.5	Low	3 Å²	3	37.8 Å²	37.8	2%	0.019	19%	0.185	C	C	.	.	P	Polyproline II helix	trans	-66.4	145.8	-179.7	28.1	-36.3	0	0	0	111.6	L677 Q680 V705 Q707	L677-P714 HydrophobicContact CD1-CG 3.99Å; L677-P714 HydrophobicContact CD2-CB 4.08Å; L677-P714 HydrophobicContact CD2-CG 3.73Å; L677-P714 HydrophobicContact CG-CG 3.79Å; Q680-P714 PolarHBondContact NE2-O 3.3Å; V705-P714 HydrophobicContact CG1-CB 3.73Å; Q707-P714 HydrophobicContact CB-CB 4.33Å
715	R	81.6	Confident	67.8	Low	34 Å²	34	39.6 Å²	39.6	13%	0.128	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	129.8	177.6	-159.2	179.9	-54.4	-147	-6.9	110.9	V705 M706 D711 T717 V858	V705-R715 WeakPolarHBondContact CA-O 3.43Å; M706-R715 HydrophobicContact CE-CB 4.03Å; M706-R715 HydrophobicContact CE-CG 4.41Å; M706-R715 PolarHBondContact N-O 2.9Å; M706-R715 WeakPolarHBondContact O-CB 3.27Å; M706-R715 PolarHBondContact O-N 2.82Å; D711-R715 IonicContact OD1-NH2 3.56Å; D711-R715 IonicContact OD2-CZ 3.61Å; D711-R715 IonicContact OD2-NE 3.48Å; D711-R715 IonicContact OD2-NH2 3.67Å; D711-R715 PolarHBondContact OD2-NH2 3.38Å; R715-T717 HydrophobicContact CB-CG2 4.5Å; R715-T717 HydrophobicContact CG-CG2 4.17Å; R715-V858 HydrophobicContact CB-CG1 4.48Å; R715-V858 HydrophobicContact CB-CG2 3.88Å; R715-V858 HydrophobicContact CG-CG1 4.16Å; R715-V858 HydrophobicContact CG-CG2 3.69Å; R715-V858 VanDerWaalsContact CZ-CG2 3.48Å
716	V	79	Confident	66	Low	0 Å²	0	40.7 Å²	40.7	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	130	165.3	177	0	0	0	0	108.9	L677 Q680 L681 V684 I703	L677-V716 HydrophobicContact CD2-CG2 3.73Å; Q680-V716 HydrophobicContact CB-CB 3.81Å; Q680-V716 HydrophobicContact CB-CG2 3.51Å; Q680-V716 HydrophobicContact CG-CG2 4.34Å; L681-V716 HydrophobicContact CD2-CG1 4.17Å; L681-V716 HydrophobicContact CD2-CG2 4.47Å; L681-V716 HydrophobicContact CG-CG2 4.26Å; V684-V716 HydrophobicContact CG2-CG1 3.84Å; I703-V716 HydrophobicContact CG2-CG1 3.51Å
717	T	72	Confident	63.9	Low	2 Å²	2	47.7 Å²	47.7	1%	0.012	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	142.1	-178.5	59.7	0	0	0	0	110.7	L593 V704 M706 R715	L593-T717 HydrophobicContact CD2-CG2 3.73Å; L593-T717 HydrophobicContact CG-CG2 4.07Å; V704-T717 PolarHBondContact O-N 2.78Å; V704-T717 PolarHBondContact O-OG1 2.83Å; M706-T717 HydrophobicContact CB-CG2 4.32Å; R715-T717 HydrophobicContact CB-CG2 4.5Å; R715-T717 HydrophobicContact CG-CG2 4.17Å
718	L	65	Low	61.8	Low	8 Å²	8	56.1 Å²	56.1	4%	0.042	26%	0.263	C	S	.	.			trans	-108.1	120.8	-176.5	-92.7	177.5	0	0	0	110.7	F591 V684 F687 W720	F591-L718 HydrophobicContact CB-CB 4.29Å; F591-L718 HydrophobicContact CD2-CD1 4.02Å; F591-L718 HydrophobicContact CE2-CD1 4.44Å; F591-L718 HydrophobicContact CG-CD1 4.3Å; V684-L718 HydrophobicContact CB-CD1 4.35Å; V684-L718 HydrophobicContact CG1-CD1 3.93Å; V684-L718 HydrophobicContact CG1-CD2 3.7Å; V684-L718 HydrophobicContact CG1-CG 4Å; V684-L718 HydrophobicContact CG2-CD1 3.91Å; V684-L718 HydrophobicContact CG2-CD2 4.42Å; V684-L718 HydrophobicContact CG2-CG 3.87Å; F687-L718 HydrophobicContact CD1-CD1 4.13Å; L718-W720 PolarHBondContact O-NE1 3.27Å
719	E	63.7	Low	60	Low	12 Å²	12	61.1 Å²	61.1	6%	0.056	29%	0.288	C	S	.	.			trans	-88.9	102.8	168.4	-71.3	-170.5	179.4	0	0	109.8	S550 I552 Y555 V704 D721 S722	S550-E719 WeakPolarHBondContact CB-OE1 3.34Å; S550-E719 WeakPolarHBondContact CB-OE2 3.48Å; S550-E719 PolarHBondContact OG-OE1 3.19Å; S550-E719 VanDerWaalsContact OG-OE1 3.04Å; S550-E719 PolarHBondContact OG-OE2 3.28Å; I552-E719 HydrophobicContact CD1-CB 3.81Å; I552-E719 HydrophobicContact CD1-CG 4.4Å; I552-E719 HydrophobicContact CG1-CB 4.11Å; I552-E719 HydrophobicContact CG1-CG 4.41Å; I552-E719 WeakPolarHBondContact CG1-OE2 3.08Å; Y555-E719 VanDerWaalsContact CE2-OE1 3.29Å; Y555-E719 WeakPolarHBondContact CE2-OE1 3.39Å; Y555-E719 PolarHBondContact OH-OE1 3.46Å; V704-E719 HydrophobicContact CG2-CG 4.47Å; E719-D721 PolarHBondContact O-N 2.94Å; E719-S722 PolarHBondContact O-N 3.34Å; E719-S722 PolarHBondContact O-OG 2.86Å
720	W	53.6	Low	58.4	Low	37 Å²	37	57.6 Å²	57.6	14%	0.14	28%	0.277	C	S	.	.	H	α-helix	trans	-66.7	-41.7	-163.5	-68.9	71.5	0	0	0	113.9	P582 P584 F687 L718 S722 F724	P582-W720 VanDerWaalsContact O-CG 3.27Å; P584-W720 HydrophobicContact CG-CD2 4.38Å; P584-W720 HydrophobicContact CG-CE3 4.41Å; P584-W720 HydrophobicContact CG-CH2 4.11Å; P584-W720 HydrophobicContact CG-CZ2 4.1Å; P584-W720 HydrophobicContact CG-CZ3 4.26Å; F687-W720 HydrophobicContact CD1-CH2 4.2Å; F687-W720 HydrophobicContact CD1-CZ3 4.49Å; F687-W720 HydrophobicContact CE1-CE3 4.23Å; F687-W720 AromaticContact CE1-CH2 3.26Å; F687-W720 HydrophobicContact CE1-CH2 3.26Å; F687-W720 HydrophobicContact CE1-CZ2 4.17Å; F687-W720 AromaticContact CE1-CZ3 3.3Å; F687-W720 HydrophobicContact CE1-CZ3 3.3Å; F687-W720 HydrophobicContact CE2-CH2 4.11Å; F687-W720 AromaticContact CZ-CH2 3.22Å; F687-W720 HydrophobicContact CZ-CH2 3.22Å; F687-W720 HydrophobicContact CZ-CZ2 4.4Å; F687-W720 AromaticContact CZ-CZ3 3.35Å; F687-W720 HydrophobicContact CZ-CZ3 3.35Å; L718-W720 PolarHBondContact O-NE1 3.27Å; W720-S722 VanDerWaalsContact C-N 3.32Å; W720-S722 PolarHBondContact O-N 3.36Å; W720-F724 WeakPolarHBondContact O-CD2 3.21Å
721	D	49.3	Very low	56.8	Low	40 Å²	40	58.5 Å²	58.5	21%	0.214	28%	0.278	C	S	.	.	H	α-helix	trans	-69.5	-27.9	-179.2	-86.5	15.7	0	0	0	112.2	I552 Y579 K580 E719 V723 F724 I725	I552-D721 HydrophobicContact CD1-CB 3.91Å; I552-D721 HydrophobicContact CG2-CB 3.95Å; Y579-D721 WeakPolarHBondContact CA-OD2 3.26Å; K580-D721 PolarHBondContact N-OD2 3.28Å; E719-D721 PolarHBondContact O-N 2.94Å; D721-V723 VanDerWaalsContact C-N 3.28Å; D721-V723 PolarHBondContact O-N 3.49Å; D721-F724 PolarHBondContact O-N 3.22Å; D721-I725 VanDerWaalsContact O-CD1 3.32Å; D721-I725 WeakPolarHBondContact O-CD1 3.1Å; D721-I725 WeakPolarHBondContact O-CG1 3.37Å; D721-I725 PolarHBondContact O-N 3.46Å
722	S	44.9	Very low	55	Low	14 Å²	14	64.7 Å²	64.7	10%	0.098	31%	0.311	C	S	.	.	H	α-helix	trans	-64	-32.1	-178	76.1	0	0	0	0	112.9	E719 W720	E719-S722 PolarHBondContact O-N 3.34Å; E719-S722 PolarHBondContact O-OG 2.86Å; W720-S722 VanDerWaalsContact C-N 3.32Å; W720-S722 PolarHBondContact O-N 3.36Å
723	V	45	Very low	53.1	Low	41 Å²	41	63.9 Å²	63.9	25%	0.248	32%	0.319	C	S	.	.	H	α-helix	trans	-77.6	-29.9	179.5	-166	0	0	0	0	112.3	L688 I693 D721	L688-V723 HydrophobicContact CD1-CG1 4.2Å; L688-V723 HydrophobicContact CD2-CG1 4.05Å; I693-V723 HydrophobicContact CD1-CG1 3.99Å; D721-V723 VanDerWaalsContact C-N 3.28Å; D721-V723 PolarHBondContact O-N 3.49Å
724	F	44.9	Very low	50.7	Low	99 Å²	99	74 Å²	74	43%	0.434	36%	0.357	S	S	.	.	H	α-helix	trans	-88.2	-13	-177.9	-79	-71.4	0	0	0	114.8	M691 I693 W720 D721 D726	M691-F724 HydrophobicContact CB-CZ 4.43Å; M691-F724 HydrophobicContact CE-CZ 3.99Å; I693-F724 HydrophobicContact CD1-CE1 4.15Å; I693-F724 HydrophobicContact CD1-CZ 4.17Å; W720-F724 WeakPolarHBondContact O-CD2 3.21Å; D721-F724 PolarHBondContact O-N 3.22Å; F724-D726 PolarHBondContact O-N 2.87Å
725	I	41.5	Very low	48.5	Very low	42 Å²	42	80 Å²	80	22%	0.215	39%	0.393	C	S	.	.	S	Bend	trans	-68.7	-29.9	-171.2	-86.3	164.3	0	0	0	113.9	I552 Y579 D721 E727 R728 M729	I552-I725 HydrophobicContact CG2-CD1 3.84Å; Y579-I725 HydrophobicContact CD1-CD1 4.21Å; Y579-I725 HydrophobicContact CE1-CD1 3.83Å; D721-I725 VanDerWaalsContact O-CD1 3.32Å; D721-I725 WeakPolarHBondContact O-CD1 3.1Å; D721-I725 WeakPolarHBondContact O-CG1 3.37Å; D721-I725 PolarHBondContact O-N 3.46Å; I725-E727 PolarHBondContact O-N 3.2Å; I725-R728 PolarHBondContact O-N 3.08Å; I725-M729 HydrophobicContact CG2-CB 4.41Å; I725-M729 HydrophobicContact CG2-CG 3.96Å; I725-M729 PolarHBondContact O-N 3.48Å
726	D	43.5	Very low	46.7	Very low	23 Å²	23	84.9 Å²	84.9	12%	0.123	43%	0.426	C	S	.	.	H	α-helix	trans	-58.2	-48.7	-170.5	-158.8	-45.7	0	0	0	112.9	K697 N698 F724 R728 T730	K697-D726 WeakPolarHBondContact CE-OD1 3.33Å; K697-D726 IonicContact NZ-OD1 2.67Å; K697-D726 PolarHBondContact NZ-OD1 3.17Å; N698-D726 PolarHBondContact ND2-OD2 3.36Å; F724-D726 PolarHBondContact O-N 2.87Å; D726-R728 VanDerWaalsContact C-N 3.27Å; D726-R728 PolarHBondContact O-N 3.1Å; D726-T730 VanDerWaalsContact O-CG2 3.28Å; D726-T730 WeakPolarHBondContact O-CG2 3.41Å; D726-T730 PolarHBondContact O-N 2.9Å; D726-T730 PolarHBondContact O-OG1 3.23Å; D726-T730 VanDerWaalsContact O-OG1 3.05Å
727	E	40.1	Very low	45.3	Very low	148 Å²	148	91.2 Å²	91.2	69%	0.692	46%	0.46	S	S	*	.	H	α-helix	trans	-75.9	-7.1	-173.1	-59.3	-153.2	143.9	0	0	115.3	I725 K741	I725-E727 PolarHBondContact O-N 3.2Å; E727-K741 IonicContact OE1-NZ 2.73Å; E727-K741 PolarHBondContact OE1-NZ 3.09Å
728	R	39.4	Very low	44.5	Very low	223 Å²	223	96.9 Å²	96.9	84%	0.842	50%	0.5	S	S	*	.	H	α-helix	trans	-115.4	-19.9	-179	-61.7	-171	-172.9	-163	2.5	114.7	I725 D726	I725-R728 PolarHBondContact O-N 3.08Å; D726-R728 VanDerWaalsContact C-N 3.27Å; D726-R728 PolarHBondContact O-N 3.1Å
729	M	39.2	Very low	44.2	Very low	127 Å²	127	102.5 Å²	102.5	63%	0.626	52%	0.521	S	S	*	.	H	α-helix	trans	-94	-23.8	176.3	-71.4	-72.8	-172.9	0	0	113.1	I725 S731	I725-M729 HydrophobicContact CG2-CB 4.41Å; I725-M729 HydrophobicContact CG2-CG 3.96Å; I725-M729 PolarHBondContact O-N 3.48Å; M729-S731 VanDerWaalsContact C-N 3.25Å; M729-S731 PolarHBondContact O-N 3.33Å; M729-S731 VanDerWaalsContact O-N 3.17Å
730	T	37.6	Very low	44.2	Very low	79 Å²	79	106.5 Å²	106.5	49%	0.485	55%	0.547	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.3	12.8	-173.7	63.2	0	0	0	0	115.3	D726 N732	D726-T730 VanDerWaalsContact O-CG2 3.28Å; D726-T730 WeakPolarHBondContact O-CG2 3.41Å; D726-T730 PolarHBondContact O-N 2.9Å; D726-T730 PolarHBondContact O-OG1 3.23Å; D726-T730 VanDerWaalsContact O-OG1 3.05Å; T730-N732 PolarHBondContact O-N 2.73Å
731	S	36.5	Very low	45.1	Very low	95 Å²	95	108.9 Å²	108.9	66%	0.664	56%	0.559	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.8	-13.7	-170.9	61.9	0	0	0	0	115.7	M729	M729-S731 VanDerWaalsContact C-N 3.25Å; M729-S731 PolarHBondContact O-N 3.33Å; M729-S731 VanDerWaalsContact O-N 3.17Å
732	N	35.4	Very low	46.5	Very low	141 Å²	141	110.1 Å²	110.1	75%	0.754	57%	0.565	S	S	*	*	S	Bend	trans	-127.2	-25	-175	-85.5	-22.1	0	0	0	116.2	T730 R734	T730-N732 PolarHBondContact O-N 2.73Å; N732-R734 PolarHBondContact O-N 2.95Å
733	N	36.6	Very low	48.3	Very low	149 Å²	149	111.3 Å²	111.3	80%	0.797	57%	0.572	S	S	*	*			trans	-80.7	87.7	-175.4	-76.9	15.2	0	0	0	112	T735	N733-T735 PolarHBondContact O-N 3.19Å
734	R	33.9	Very low	50.2	Low	238 Å²	238	109.5 Å²	109.5	90%	0.898	56%	0.562	S	S	*	*			trans	-71.8	84.8	167.6	-71.4	179.4	171.8	179.4	-2.6	110.8	N732	N732-R734 PolarHBondContact O-N 2.95Å
735	T	36.1	Very low	52.2	Low	128 Å²	128	105.5 Å²	105.5	79%	0.785	55%	0.545	S	S	*	.	S	Bend	trans	161.8	160.3	147.8	36.4	0	0	0	0	109.8	N733	N733-T735 PolarHBondContact O-N 3.19Å
736	V	43.6	Very low	54.2	Low	136 Å²	136	108.2 Å²	108.2	82%	0.824	56%	0.556	S	S	*	*	S	Bend	trans	56.8	63.5	169.4	-155	0	0	0	0	116.8
737	D	50.3	Low	56.1	Low	133 Å²	133	107.6 Å²	107.6	71%	0.711	55%	0.553	S	S	*	*				-164.8	116.6	121.3	-129.7	-28.5	0	0	0	111
738	S	54.3	Low	58.1	Low	122 Å²	122	100.6 Å²	100.6	85%	0.853	52%	0.52	S	S	*	.			trans	-107.1	26.4	-171.2	70.8	0	0	0	0	113.6
739	R	58.3	Low	60.3	Low	126 Å²	126	90 Å²	90	48%	0.475	48%	0.48	S	S	.	.	P	Polyproline II helix	trans	-71.9	131.7	178.8	-70.3	176.8	175	-111.5	18.3	110.5	D699	D699-R739 IonicContact OD1-CZ 3.69Å; D699-R739 IonicContact OD1-NH1 3.85Å; D699-R739 PolarHBondContact OD1-NH1 2.89Å; D699-R739 IonicContact OD2-CZ 2.66Å; D699-R739 VanDerWaalsContact OD2-CZ 3.25Å; D699-R739 IonicContact OD2-NH1 2.83Å; D699-R739 PolarHBondContact OD2-NH1 3.42Å; D699-R739 IonicContact OD2-NH2 3.86Å; D699-R739 PolarHBondContact OD2-NH2 3.1Å; D699-R739 VanDerWaalsContact OD2-NH2 3.14Å
740	P	64.5	Low	62.3	Low	95 Å²	95	86.5 Å²	86.5	62%	0.617	47%	0.471	S	S	*	.	P	Polyproline II helix	trans	-66.7	145.4	174.6	29.1	-34.2	0	0	0	110.4	L742	P740-L742 PolarHBondContact O-N 2.95Å
741	K	73.4	Confident	64.2	Low	87 Å²	87	83.7 Å²	83.7	38%	0.378	45%	0.453	S	S	.	.	P	Polyproline II helix	trans	-60.6	133.1	163.1	-79.6	-167	175.2	-167.6	0	108.4	E695 T696 K697 E727	E695-K741 HydrophobicContact CB-CB 4.14Å; E695-K741 HydrophobicContact CB-CD 4.27Å; E695-K741 WeakPolarHBondContact OE2-CB 3.47Å; E695-K741 VanDerWaalsContact OE2-CD 3.24Å; E695-K741 WeakPolarHBondContact OE2-CD 3.39Å; T696-K741 WeakPolarHBondContact O-CA 3.33Å; K697-K741 HydrophobicContact CG-CG 3.67Å; E727-K741 IonicContact OE1-NZ 2.73Å; E727-K741 PolarHBondContact OE1-NZ 3.09Å
742	L	76.8	Confident	66.2	Low	66 Å²	66	79.1 Å²	79.1	35%	0.346	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	131.7	175.5	-70.3	178	0	0	0	110.1	E695 T696 P740 V747	E695-L742 CarbonylContact C-O 3.55Å; E695-L742 VanDerWaalsContact CA-O 3.28Å; E695-L742 WeakPolarHBondContact CA-O 3.17Å; T696-L742 PolarHBondContact N-O 3.02Å; T696-L742 PolarHBondContact O-N 3.08Å; P740-L742 PolarHBondContact O-N 2.95Å; L742-V747 HydrophobicContact CB-CG2 3.72Å; L742-V747 HydrophobicContact CD1-CG2 4.4Å
743	P	83.9	Confident	68.4	Low	39 Å²	39	74.7 Å²	74.7	25%	0.253	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.7	140.3	168.6	-28.1	35.3	0	0	0	111.9	E694 E695 C745 K746 V747	E694-P743 VanDerWaalsContact O-CA 3.31Å; E694-P743 WeakPolarHBondContact O-CA 3.32Å; E695-P743 HydrophobicContact CG-CG 4.34Å; P743-C745 PolarHBondContact O-N 3.39Å; P743-K746 WeakPolarHBondContact O-CB 3.37Å; P743-K746 PolarHBondContact O-N 3.48Å; P743-V747 PolarHBondContact O-N 2.85Å
744	L	84.3	Confident	70.2	Confident	4 Å²	4	71.1 Å²	71.1	2%	0.021	38%	0.377	C	S	.	.	H	α-helix	trans	-54.8	-32.2	-174.3	-68.1	177.8	0	0	0	113.8	F685 L688 I693 E694 T696 L700 V747 A748	F685-L744 HydrophobicContact CB-CB 4.18Å; F685-L744 HydrophobicContact CB-CD1 4.29Å; F685-L744 WeakPolarHBondContact O-CD1 3.36Å; L688-L744 HydrophobicContact CB-CD1 3.74Å; L688-L744 HydrophobicContact CD1-CD2 4.36Å; I693-L744 WeakPolarHBondContact O-CD1 3.45Å; E694-L744 PolarHBondContact O-N 3.46Å; T696-L744 HydrophobicContact CG2-CD2 4.13Å; L700-L744 HydrophobicContact CD1-CD2 4.32Å; L744-V747 PolarHBondContact O-N 2.98Å; L744-A748 WeakPolarHBondContact O-CB 3.25Å; L744-A748 PolarHBondContact O-N 2.86Å
745	C	86.2	Confident	72	Confident	14 Å²	14	60.2 Å²	60.2	10%	0.095	34%	0.337	C	S	.	.	H	α-helix	trans	-65.5	-35.3	174.7	62.4	0	0	0	0	113	P743 A748 A749 L796 L804	P743-C745 PolarHBondContact O-N 3.39Å; C745-A748 PolarHBondContact O-N 2.76Å; C745-A749 WeakPolarHBondContact O-CB 3.47Å; C745-A749 PolarHBondContact O-N 2.98Å; C745-L796 HydrophobicContact CB-CD2 4.14Å; C745-L804 HydrophobicContact CB-CD2 4.38Å; C745-L804 HydrophobicContact CB-CG 4.34Å
746	K	85.1	Confident	73.9	Confident	99 Å²	99	54.9 Å²	54.9	43%	0.43	30%	0.303	S	S	.	.	H	α-helix	trans	-72.2	-34.6	176.3	-65.1	-168.3	-178.1	-179.8	0	112	P743 A749 A750	P743-K746 WeakPolarHBondContact O-CB 3.37Å; P743-K746 PolarHBondContact O-N 3.48Å; K746-A749 PolarHBondContact O-N 3.1Å; K746-A750 WeakPolarHBondContact O-CB 3.46Å; K746-A750 PolarHBondContact O-N 2.94Å
747	V	81.8	Confident	75.4	Confident	11 Å²	11	52.1 Å²	52.1	7%	0.067	28%	0.284	C	S	.	.	H	α-helix	trans	-67.1	-41.1	173.7	-171.5	0	0	0	0	110.7	T696 L700 L742 P743 L744 A749 A750 Q751	T696-V747 HydrophobicContact CG2-CG2 3.85Å; L700-V747 HydrophobicContact CB-CG1 4.41Å; L700-V747 HydrophobicContact CD1-CB 4.35Å; L700-V747 HydrophobicContact CD1-CG1 3.75Å; L700-V747 HydrophobicContact CG-CG1 4.06Å; L742-V747 HydrophobicContact CB-CG2 3.72Å; L742-V747 HydrophobicContact CD1-CG2 4.4Å; P743-V747 PolarHBondContact O-N 2.85Å; L744-V747 PolarHBondContact O-N 2.98Å; V747-A749 VanDerWaalsContact C-N 3.34Å; V747-A749 PolarHBondContact O-N 3.36Å; V747-A750 PolarHBondContact O-N 3.38Å; V747-Q751 PolarHBondContact O-N 2.82Å
748	A	83.8	Confident	76.4	Confident	0 Å²	0	47.2 Å²	47.2	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-61.3	-40.1	171.8	0	0	0	0	0	112.9	I682 F685 L744 C745 L752 L796 L804	I682-A748 HydrophobicContact CG1-CB 4.4Å; F685-A748 HydrophobicContact CD2-CB 3.6Å; F685-A748 HydrophobicContact CE2-CB 3.5Å; F685-A748 VanDerWaalsContact CE2-CB 3.5Å; L744-A748 WeakPolarHBondContact O-CB 3.25Å; L744-A748 PolarHBondContact O-N 2.86Å; C745-A748 PolarHBondContact O-N 2.76Å; A748-L752 PolarHBondContact O-N 2.96Å; A748-L796 HydrophobicContact CB-CD1 3.83Å; A748-L796 HydrophobicContact CB-CD2 4.2Å; A748-L804 HydrophobicContact CB-CD2 4.33Å
749	A	84.9	Confident	77.1	Confident	0 Å²	0	41.8 Å²	41.8	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-67.2	-40.9	176.9	0	0	0	0	0	112	C745 K746 V747 Q751 L752 V753 L796 F797	C745-A749 WeakPolarHBondContact O-CB 3.47Å; C745-A749 PolarHBondContact O-N 2.98Å; K746-A749 PolarHBondContact O-N 3.1Å; V747-A749 VanDerWaalsContact C-N 3.34Å; V747-A749 PolarHBondContact O-N 3.36Å; A749-Q751 PolarHBondContact O-N 3.03Å; A749-L752 PolarHBondContact O-N 2.96Å; A749-V753 WeakPolarHBondContact O-CG2 3.41Å; A749-V753 PolarHBondContact O-N 3.07Å; A749-L796 HydrophobicContact CB-CB 3.8Å; A749-F797 HydrophobicContact CB-CD1 3.8Å; A749-F797 HydrophobicContact CB-CD2 4.04Å; A749-F797 HydrophobicContact CB-CE1 3.55Å; A749-F797 HydrophobicContact CB-CE2 3.81Å; A749-F797 HydrophobicContact CB-CG 4.03Å; A749-F797 HydrophobicContact CB-CZ 3.55Å
750	A	80.8	Confident	77.7	Confident	54 Å²	54	38.9 Å²	38.9	45%	0.446	21%	0.214	S	C	.	.	H	α-helix	trans	-58.9	-46.8	177	0	0	0	0	0	111.9	K746 V747 L752 V753 E754	K746-A750 WeakPolarHBondContact O-CB 3.46Å; K746-A750 PolarHBondContact O-N 2.94Å; V747-A750 PolarHBondContact O-N 3.38Å; A750-L752 PolarHBondContact O-N 2.89Å; A750-V753 PolarHBondContact O-N 2.81Å; A750-E754 PolarHBondContact O-N 3.49Å
751	Q	76.9	Confident	77.7	Confident	20 Å²	20	39.3 Å²	39.3	9%	0.093	21%	0.211	C	C	.	.	H	α-helix	trans	-64.5	-37.2	175.5	-72.3	-173.1	-22.1	0	0	112.5	M678 V747 A749 E754 I755	M678-Q751 HydrophobicContact SD-CB 4.34Å; V747-Q751 PolarHBondContact O-N 2.82Å; A749-Q751 PolarHBondContact O-N 3.03Å; Q751-E754 PolarHBondContact O-N 2.94Å; Q751-I755 WeakPolarHBondContact O-CD1 3.34Å; Q751-I755 PolarHBondContact O-N 2.93Å
752	L	80.2	Confident	77.1	Confident	0 Å²	0	38.5 Å²	38.5	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-63.8	-39.6	172.2	-75.6	-179.8	0	0	0	113.1	F674 M678 A748 A749 A750 I755 L756 L789 A792 A793 L796	F674-L752 HydrophobicContact CE1-CD2 3.99Å; F674-L752 HydrophobicContact CZ-CD2 4.11Å; M678-L752 HydrophobicContact CB-CD2 4.24Å; M678-L752 HydrophobicContact CE-CD2 3.84Å; M678-L752 HydrophobicContact CE-CG 3.78Å; M678-L752 HydrophobicContact CG-CD2 3.64Å; M678-L752 HydrophobicContact SD-CD2 4.01Å; M678-L752 HydrophobicContact SD-CG 4.42Å; A748-L752 PolarHBondContact O-N 2.96Å; A749-L752 PolarHBondContact O-N 2.96Å; A750-L752 PolarHBondContact O-N 2.89Å; L752-I755 PolarHBondContact O-N 2.83Å; L752-L756 WeakPolarHBondContact O-CB 3.49Å; L752-L756 VanDerWaalsContact O-CG 3.31Å; L752-L756 WeakPolarHBondContact O-CG 3.34Å; L752-L756 PolarHBondContact O-N 3.08Å; L752-L789 HydrophobicContact CD2-CD2 4.24Å; L752-A792 HydrophobicContact CD1-CB 3.9Å; L752-A793 HydrophobicContact CB-CB 4.01Å; L752-A793 HydrophobicContact CD1-CB 4.16Å; L752-L796 HydrophobicContact CD1-CD1 3.68Å
753	V	80.7	Confident	75.8	Confident	47 Å²	47	37.9 Å²	37.9	29%	0.285	21%	0.207	S	C	.	.	H	α-helix	trans	-65.9	-39	178.6	169.5	0	0	0	0	111.3	A749 A750 I755 L756 N757 A793 F797	A749-V753 WeakPolarHBondContact O-CG2 3.41Å; A749-V753 PolarHBondContact O-N 3.07Å; A750-V753 PolarHBondContact O-N 2.81Å; V753-I755 VanDerWaalsContact C-N 3.33Å; V753-I755 PolarHBondContact O-N 3.26Å; V753-L756 PolarHBondContact O-N 2.94Å; V753-N757 VanDerWaalsContact O-CG 3.23Å; V753-N757 PolarHBondContact O-N 3.22Å; V753-N757 PolarHBondContact O-ND2 3.3Å; V753-N757 PolarHBondContact O-OD1 2.84Å; V753-A793 HydrophobicContact CG2-CB 4.39Å; V753-F797 HydrophobicContact CG2-CE2 3.78Å; V753-F797 HydrophobicContact CG2-CZ 3.96Å
754	E	74.9	Confident	74.2	Confident	74 Å²	74	40.1 Å²	40.1	35%	0.346	23%	0.228	S	C	.	.	H	α-helix	trans	-54.8	-46.3	175.6	-171.7	175.8	-162.8	0	0	111.8	V650 A750 Q751 N757 V758	V650-E754 HydrophobicContact CG1-CG 3.98Å; A750-E754 PolarHBondContact O-N 3.49Å; Q751-E754 PolarHBondContact O-N 2.94Å; E754-N757 PolarHBondContact O-N 3.29Å; E754-V758 WeakPolarHBondContact O-CG2 3.49Å; E754-V758 PolarHBondContact O-N 2.79Å
755	I	70.9	Confident	72.3	Confident	9 Å²	9	44.7 Å²	44.7	5%	0.046	25%	0.253	C	S	.	.	H	α-helix	trans	-78.3	-31.7	177.7	-71.9	75.9	0	0	0	112.1	V650 F674 Q751 L752 V753 N757 V758 L759	V650-I755 HydrophobicContact CB-CD1 4.18Å; V650-I755 HydrophobicContact CG1-CD1 3.44Å; V650-I755 VanDerWaalsContact CG1-CD1 3.44Å; V650-I755 HydrophobicContact CG1-CG1 4.04Å; V650-I755 HydrophobicContact CG2-CD1 3.65Å; F674-I755 HydrophobicContact CD1-CB 4.09Å; F674-I755 HydrophobicContact CD1-CG1 4.18Å; F674-I755 HydrophobicContact CD1-CG2 3.61Å; F674-I755 HydrophobicContact CD2-CD1 4.02Å; F674-I755 HydrophobicContact CD2-CG1 3.75Å; F674-I755 HydrophobicContact CE1-CB 3.62Å; F674-I755 HydrophobicContact CE1-CD1 4.27Å; F674-I755 HydrophobicContact CE1-CG1 3.88Å; F674-I755 HydrophobicContact CE1-CG2 3.61Å; F674-I755 HydrophobicContact CE2-CB 4.14Å; F674-I755 HydrophobicContact CE2-CD1 3.27Å; F674-I755 HydrophobicContact CE2-CG1 3.44Å; F674-I755 VanDerWaalsContact CE2-CG1 3.44Å; F674-I755 HydrophobicContact CG-CG1 4.11Å; F674-I755 HydrophobicContact CG-CG2 4.1Å; F674-I755 HydrophobicContact CZ-CB 3.64Å; F674-I755 HydrophobicContact CZ-CD1 3.41Å; F674-I755 VanDerWaalsContact CZ-CD1 3.41Å; F674-I755 HydrophobicContact CZ-CG1 3.49Å; F674-I755 VanDerWaalsContact CZ-CG1 3.49Å; F674-I755 HydrophobicContact CZ-CG2 4.14Å; Q751-I755 WeakPolarHBondContact O-CD1 3.34Å; Q751-I755 PolarHBondContact O-N 2.93Å; L752-I755 PolarHBondContact O-N 2.83Å; V753-I755 VanDerWaalsContact C-N 3.33Å; V753-I755 PolarHBondContact O-N 3.26Å; I755-N757 PolarHBondContact O-N 3.41Å; I755-V758 PolarHBondContact O-N 3.15Å; I755-L759 HydrophobicContact CG2-CD1 3.72Å; I755-L759 HydrophobicContact CG2-CG 3.98Å; I755-L759 WeakPolarHBondContact O-CB 3.21Å; I755-L759 VanDerWaalsContact O-CG 3.3Å; I755-L759 WeakPolarHBondContact O-CG 3.31Å; I755-L759 PolarHBondContact O-N 2.92Å
756	L	76.1	Confident	70.2	Confident	16 Å²	16	45.5 Å²	45.5	8%	0.084	26%	0.263	C	S	.	.	H	α-helix	trans	-59.8	-36.4	172.6	-80.2	164.5	0	0	0	111.7	L752 V753 L759 N760 L789 A790 A793	L752-L756 WeakPolarHBondContact O-CB 3.49Å; L752-L756 VanDerWaalsContact O-CG 3.31Å; L752-L756 WeakPolarHBondContact O-CG 3.34Å; L752-L756 PolarHBondContact O-N 3.08Å; V753-L756 PolarHBondContact O-N 2.94Å; L756-L759 CarbonylContact O-C 3.52Å; L756-L759 PolarHBondContact O-N 3.21Å; L756-N760 WeakPolarHBondContact O-CB 3.31Å; L756-N760 PolarHBondContact O-N 3.48Å; L756-N760 PolarHBondContact O-ND2 3.43Å; L756-L789 HydrophobicContact CD1-CB 4.48Å; L756-L789 HydrophobicContact CD2-CB 3.75Å; L756-L789 HydrophobicContact CD2-CD1 4.46Å; L756-L789 HydrophobicContact CG-CB 4.23Å; L756-A790 HydrophobicContact CD1-CB 4.35Å; L756-A790 HydrophobicContact CD2-CB 4.33Å; L756-A793 HydrophobicContact CD1-CB 4.1Å
757	N	76.3	Confident	68	Low	79 Å²	79	44.5 Å²	44.5	42%	0.422	27%	0.274	S	S	.	.	H	α-helix	trans	-65.8	-50.7	173.5	-65.3	-14.9	0	0	0	111.3	V753 E754 I755 L759 N760 D761	V753-N757 VanDerWaalsContact O-CG 3.23Å; V753-N757 PolarHBondContact O-N 3.22Å; V753-N757 PolarHBondContact O-ND2 3.3Å; V753-N757 PolarHBondContact O-OD1 2.84Å; E754-N757 PolarHBondContact O-N 3.29Å; I755-N757 PolarHBondContact O-N 3.41Å; N757-L759 PolarHBondContact O-N 3.18Å; N757-N760 WeakPolarHBondContact O-CA 3.44Å; N757-N760 VanDerWaalsContact O-CB 3.32Å; N757-N760 WeakPolarHBondContact O-CB 3.44Å; N757-N760 PolarHBondContact O-N 3.36Å; N757-D761 VanDerWaalsContact O-CG 3.31Å; N757-D761 PolarHBondContact O-N 2.91Å
758	V	69.9	Low	66.3	Low	30 Å²	30	50.8 Å²	50.8	18%	0.182	31%	0.307	C	S	.	.	H	α-helix	trans	-55.3	-36.9	174.9	171.7	0	0	0	0	112.6	A654 L657 E754 I755	A654-V758 HydrophobicContact CB-CG1 3.92Å; A654-V758 HydrophobicContact CB-CG2 3.8Å; L657-V758 HydrophobicContact CB-CG1 4.33Å; L657-V758 HydrophobicContact CD1-CG1 3.66Å; E754-V758 WeakPolarHBondContact O-CG2 3.49Å; E754-V758 PolarHBondContact O-N 2.79Å; I755-V758 PolarHBondContact O-N 3.15Å
759	L	68.9	Low	64.6	Low	7 Å²	7	54.1 Å²	54.1	4%	0.037	32%	0.324	C	S	.	.	H	α-helix	trans	-82.6	-14.1	174.8	-65.6	173.7	0	0	0	113.7	L657 V671 I755 L756 N757 C763 F782 F785 K786 L789	L657-L759 HydrophobicContact CD1-CD2 3.97Å; V671-L759 HydrophobicContact CG2-CD2 4.27Å; I755-L759 HydrophobicContact CG2-CD1 3.72Å; I755-L759 HydrophobicContact CG2-CG 3.98Å; I755-L759 WeakPolarHBondContact O-CB 3.21Å; I755-L759 VanDerWaalsContact O-CG 3.3Å; I755-L759 WeakPolarHBondContact O-CG 3.31Å; I755-L759 PolarHBondContact O-N 2.92Å; L756-L759 CarbonylContact O-C 3.52Å; L756-L759 PolarHBondContact O-N 3.21Å; N757-L759 PolarHBondContact O-N 3.18Å; L759-C763 PolarHBondContact O-SG 2.73Å; L759-F782 HydrophobicContact CD2-CE2 4.4Å; L759-F782 HydrophobicContact CD2-CZ 4.18Å; L759-F785 HydrophobicContact CD1-CE1 4.37Å; L759-K786 PolarHBondContact O-NZ 2.99Å; L759-L789 HydrophobicContact CD1-CD1 4.07Å
760	N	71.2	Confident	62.7	Low	65 Å²	65	59.3 Å²	59.3	35%	0.348	36%	0.36	S	S	.	.	H	α-helix	trans	-77.6	-51.3	171.9	-82.4	-27.5	0	0	0	110.2	L756 N757 R762 C763 A764 K786	L756-N760 WeakPolarHBondContact O-CB 3.31Å; L756-N760 PolarHBondContact O-N 3.48Å; L756-N760 PolarHBondContact O-ND2 3.43Å; N757-N760 WeakPolarHBondContact O-CA 3.44Å; N757-N760 VanDerWaalsContact O-CB 3.32Å; N757-N760 WeakPolarHBondContact O-CB 3.44Å; N757-N760 PolarHBondContact O-N 3.36Å; N760-R762 VanDerWaalsContact C-N 3.27Å; N760-R762 PolarHBondContact O-N 2.92Å; N760-C763 WeakPolarHBondContact O-CA 3.33Å; N760-C763 WeakPolarHBondContact O-CB 3.32Å; N760-C763 PolarHBondContact O-N 3.32Å; N760-A764 PolarHBondContact O-N 3.47Å; N760-A764 VanDerWaalsContact O-N 3.17Å; N760-K786 WeakPolarHBondContact OD1-CE 3.5Å; N760-K786 PolarHBondContact OD1-NZ 3.31Å
761	D	65.6	Low	61	Low	104 Å²	104	61.3 Å²	61.3	56%	0.556	37%	0.371	S	S	*	.	H	α-helix	trans	-56.1	-43.2	-175.5	-58.6	-22.6	0	0	0	111	N757 C763 A764	N757-D761 VanDerWaalsContact O-CG 3.31Å; N757-D761 PolarHBondContact O-N 2.91Å; D761-C763 VanDerWaalsContact C-N 3.32Å; D761-C763 PolarHBondContact O-N 2.73Å; D761-A764 WeakPolarHBondContact O-CB 3.43Å; D761-A764 PolarHBondContact O-N 3.14Å
762	R	59.1	Low	59.5	Low	71 Å²	71	64.5 Å²	64.5	27%	0.268	39%	0.389	S	S	.	.	H	α-helix	trans	-78.7	-8.5	178	-54.6	-59.5	-88.7	166.2	-16.3	115.4	L657 A658 D659 N760 D765	L657-R762 PolarHBondContact O-NE 3Å; L657-R762 PolarHBondContact O-NH2 2.87Å; L657-R762 VanDerWaalsContact O-NH2 3.14Å; A658-R762 VanDerWaalsContact C-NH2 3.3Å; A658-R762 PolarHBondContact O-NH2 3.48Å; D659-R762 PolarHBondContact O-NH2 3.47Å; N760-R762 VanDerWaalsContact C-N 3.27Å; N760-R762 PolarHBondContact O-N 2.92Å; R762-D765 IonicContact NH1-OD2 3.56Å; R762-D765 PolarHBondContact NH1-OD2 2.93Å
763	C	51.4	Low	57.6	Low	53 Å²	53	69.3 Å²	69.3	36%	0.358	42%	0.422	S	S	.	.	H	α-helix	trans	-86	-23	166	-68.5	0	0	0	0	112.5	L759 N760 D761 G766 K786	L759-C763 PolarHBondContact O-SG 2.73Å; N760-C763 WeakPolarHBondContact O-CA 3.33Å; N760-C763 WeakPolarHBondContact O-CB 3.32Å; N760-C763 PolarHBondContact O-N 3.32Å; D761-C763 VanDerWaalsContact C-N 3.32Å; D761-C763 PolarHBondContact O-N 2.73Å; C763-G766 PolarHBondContact O-N 2.66Å; C763-K786 PolarHBondContact SG-NZ 3.02Å; C763-K786 VanDerWaalsContact SG-NZ 3.35Å
764	A	48.9	Very low	55.9	Low	86 Å²	86	74.4 Å²	74.4	71%	0.711	45%	0.447	S	S	*	.	H	α-helix	trans	-67.5	-39	-179.8	0	0	0	0	0	111.6	N760 D761 G766	N760-A764 PolarHBondContact O-N 3.47Å; N760-A764 VanDerWaalsContact O-N 3.17Å; D761-A764 WeakPolarHBondContact O-CB 3.43Å; D761-A764 PolarHBondContact O-N 3.14Å; A764-G766 PolarHBondContact O-N 3.37Å
765	D	44.3	Very low	54.5	Low	100 Å²	100	72 Å²	72	54%	0.535	44%	0.438	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.3	5.2	173.2	-61.8	-26.8	0	0	0	113.9	R762 A767	R762-D765 IonicContact NH1-OD2 3.56Å; R762-D765 PolarHBondContact NH1-OD2 2.93Å; D765-A767 PolarHBondContact O-N 3.44Å
766	G	41.8	Very low	53.5	Low	30 Å²	30	78 Å²	78	31%	0.309	47%	0.47	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.2	0.2	-161.2	0	0	0	0	0	118.1	C763 A764	C763-G766 PolarHBondContact O-N 2.66Å; A764-G766 PolarHBondContact O-N 3.37Å
767	A	40.5	Very low	52.4	Low	79 Å²	79	85.4 Å²	85.4	65%	0.653	50%	0.502	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-43.1	176.6	0	0	0	0	0	112.5	D765 L769 S770	D765-A767 PolarHBondContact O-N 3.44Å; A767-L769 VanDerWaalsContact C-N 3.35Å; A767-L769 PolarHBondContact O-N 3.46Å; A767-S770 PolarHBondContact O-OG 3Å
768	N	44.5	Very low	51.3	Low	142 Å²	142	86.5 Å²	86.5	76%	0.759	50%	0.5	S	S	*	.	G	3₁₀ helix	trans	-80.2	-14	-172.7	-69.3	-14.4	0	0	0	114.1	S770 S771	N768-S770 PolarHBondContact O-N 3.46Å; N768-S771 PolarHBondContact O-OG 3.21Å
769	L	49	Very low	50.4	Low	71 Å²	71	90.1 Å²	90.1	37%	0.372	51%	0.511	S	S	.	.	G	3₁₀ helix	trans	-68.8	-12.9	-179.4	-96.8	167.4	0	0	0	113.3	A767 S771 L772 Y779	A767-L769 VanDerWaalsContact C-N 3.35Å; A767-L769 PolarHBondContact O-N 3.46Å; L769-S771 PolarHBondContact O-N 3.37Å; L769-S771 VanDerWaalsContact O-N 3.07Å; L769-L772 HydrophobicContact CD2-CD1 4.07Å; L769-Y779 WeakPolarHBondContact CB-OH 3.18Å; L769-Y779 PolarHBondContact O-OH 3.48Å
770	S	44.9	Very low	49.9	Very low	108 Å²	108	92.8 Å²	92.8	76%	0.755	53%	0.534	S	S	*	.	G	3₁₀ helix	trans	-66.5	-5.1	-174.3	-49.6	0	0	0	0	116.1	A767 N768	A767-S770 PolarHBondContact O-OG 3Å; N768-S770 PolarHBondContact O-N 3.46Å
771	S	44.5	Very low	49.5	Very low	97 Å²	97	90.9 Å²	90.9	68%	0.678	53%	0.525	S	S	*	.	G	3₁₀ helix	trans	-96.6	-14.5	-170.3	57	0	0	0	0	115.5	N768 L769 S773	N768-S771 PolarHBondContact O-OG 3.21Å; L769-S771 PolarHBondContact O-N 3.37Å; L769-S771 VanDerWaalsContact O-N 3.07Å; S771-S773 PolarHBondContact O-N 3.09Å; S771-S773 VanDerWaalsContact O-N 3.11Å
772	L	46	Very low	49.6	Very low	87 Å²	87	87.7 Å²	87.7	46%	0.455	51%	0.506	S	S	.	.			trans	-82.9	89.8	-172	-74.4	145.2	0	0	0	112.1	L769 N774 V775	L769-L772 HydrophobicContact CD2-CD1 4.07Å; L772-N774 VanDerWaalsContact C-N 3.27Å; L772-N774 PolarHBondContact O-N 2.85Å; L772-N774 VanDerWaalsContact O-N 3.09Å; L772-V775 HydrophobicContact CB-CG2 3.75Å; L772-V775 PolarHBondContact O-N 3.35Å
773	S	41.2	Very low	50.2	Low	100 Å²	100	87.3 Å²	87.3	70%	0.699	51%	0.513	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-20.6	-169.4	54.5	0	0	0	0	117.1	S771 N776	S771-S773 PolarHBondContact O-N 3.09Å; S771-S773 VanDerWaalsContact O-N 3.11Å; S773-N776 PolarHBondContact O-ND2 3.4Å
774	N	43.5	Very low	51.2	Low	154 Å²	154	86 Å²	86	82%	0.824	50%	0.502	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93	-6.2	-175.4	-101.9	-8.2	0	0	0	115.5	L772 N776	L772-N774 VanDerWaalsContact C-N 3.27Å; L772-N774 PolarHBondContact O-N 2.85Å; L772-N774 VanDerWaalsContact O-N 3.09Å; N774-N776 VanDerWaalsContact C-N 3.29Å; N774-N776 PolarHBondContact O-N 3.48Å
775	V	46.1	Very low	52.5	Low	25 Å²	25	82.5 Å²	82.5	15%	0.152	47%	0.471	C	S	.	.			trans	-88.5	12.2	-163.4	-165.9	0	0	0	0	113.7	A664 L772 K777 W778 Y779	A664-V775 HydrophobicContact CB-CB 4.42Å; A664-V775 HydrophobicContact CB-CG1 3.75Å; A664-V775 HydrophobicContact CB-CG2 3.62Å; L772-V775 HydrophobicContact CB-CG2 3.75Å; L772-V775 PolarHBondContact O-N 3.35Å; V775-K777 VanDerWaalsContact C-N 3.26Å; V775-K777 PolarHBondContact O-N 2.89Å; V775-W778 HydrophobicContact CG1-CB 4.24Å; V775-W778 PolarHBondContact O-N 3.17Å; V775-Y779 HydrophobicContact CB-CD2 3.63Å; V775-Y779 HydrophobicContact CB-CE2 3.61Å; V775-Y779 HydrophobicContact CG1-CD2 3.52Å; V775-Y779 HydrophobicContact CG1-CE2 3.57Å; V775-Y779 HydrophobicContact CG2-CE2 4.4Å; V775-Y779 PolarHBondContact O-N 2.86Å
776	N	49.1	Very low	54.2	Low	133 Å²	133	79.9 Å²	79.9	71%	0.711	46%	0.455	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	-24.9	-166.1	-73.5	-51.1	0	0	0	116.7	S773 N774	S773-N776 PolarHBondContact O-ND2 3.4Å; N774-N776 VanDerWaalsContact C-N 3.29Å; N774-N776 PolarHBondContact O-N 3.48Å
777	K	53.7	Low	56	Low	173 Å²	173	80.8 Å²	80.8	75%	0.752	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.7	-42.2	174.5	-70.1	177.8	-176.8	168.5	0	112.5	V775	V775-K777 VanDerWaalsContact C-N 3.26Å; V775-K777 PolarHBondContact O-N 2.89Å
778	W	52.5	Low	58.1	Low	102 Å²	102	77 Å²	77	39%	0.386	42%	0.421	S	S	.	.	H	α-helix	trans	-81.4	-26.1	-172.9	-75.3	105.7	0	0	0	113.7	V668 V775 A780 V781 F782	V668-W778 HydrophobicContact CB-CD2 4.5Å; V668-W778 HydrophobicContact CG1-CD2 3.97Å; V668-W778 HydrophobicContact CG1-CE3 4.19Å; V668-W778 HydrophobicContact CG1-CH2 3.86Å; V668-W778 HydrophobicContact CG1-CZ2 3.59Å; V668-W778 HydrophobicContact CG1-CZ3 4.14Å; V668-W778 HydrophobicContact CG2-CB 4.09Å; V668-W778 HydrophobicContact CG2-CD2 3.62Å; V668-W778 HydrophobicContact CG2-CE3 3.9Å; V668-W778 HydrophobicContact CG2-CG 3.69Å; V775-W778 HydrophobicContact CG1-CB 4.24Å; V775-W778 PolarHBondContact O-N 3.17Å; W778-A780 PolarHBondContact O-N 3.37Å; W778-V781 HydrophobicContact CE3-CB 3.97Å; W778-V781 HydrophobicContact CE3-CG1 3.92Å; W778-V781 HydrophobicContact CZ3-CB 4.36Å; W778-V781 HydrophobicContact CZ3-CG1 3.8Å; W778-V781 PolarHBondContact O-N 3Å; W778-F782 PolarHBondContact O-N 2.71Å
779	Y	52.2	Low	60	Low	105 Å²	105	70.2 Å²	70.2	41%	0.412	39%	0.385	S	S	.	.	H	α-helix	trans	-57.2	-32.1	171.1	-95.1	-85.4	0	0	0	113.8	L769 V775 P783	L769-Y779 WeakPolarHBondContact CB-OH 3.18Å; L769-Y779 PolarHBondContact O-OH 3.48Å; V775-Y779 HydrophobicContact CB-CD2 3.63Å; V775-Y779 HydrophobicContact CB-CE2 3.61Å; V775-Y779 HydrophobicContact CG1-CD2 3.52Å; V775-Y779 HydrophobicContact CG1-CE2 3.57Å; V775-Y779 HydrophobicContact CG2-CE2 4.4Å; V775-Y779 PolarHBondContact O-N 2.86Å; Y779-P783 WeakPolarHBondContact O-CD 3.45Å; Y779-P783 WeakPolarHBondContact O-CG 3.49Å
780	A	58.1	Low	61.7	Low	64 Å²	64	68 Å²	68	53%	0.529	38%	0.377	S	S	.	.	H	α-helix	trans	-78.4	-24.4	175.9	0	0	0	0	0	113.2	W778 L784	W778-A780 PolarHBondContact O-N 3.37Å; A780-L784 WeakPolarHBondContact O-CD1 3.05Å
781	V	61.7	Low	63.7	Low	24 Å²	24	65.1 Å²	65.1	15%	0.145	35%	0.35	C	S	.	.	H	α-helix	trans	-95.1	-37.1	-173.9	178.7	0	0	0	0	112	W778 L784 F785	W778-V781 HydrophobicContact CE3-CB 3.97Å; W778-V781 HydrophobicContact CE3-CG1 3.92Å; W778-V781 HydrophobicContact CZ3-CB 4.36Å; W778-V781 HydrophobicContact CZ3-CG1 3.8Å; W778-V781 PolarHBondContact O-N 3Å; V781-L784 CarbonylContact O-C 3.57Å; V781-L784 WeakPolarHBondContact O-CB 3.25Å; V781-L784 PolarHBondContact O-N 3.05Å; V781-F785 PolarHBondContact O-N 3.28Å
782	F	68.5	Low	65.9	Low	38 Å²	38	60.5 Å²	60.5	17%	0.167	32%	0.318	C	S	.	.	H	α-helix	trans	-58.6	-42.2	-177.6	-175	-84.6	0	0	0	113.6	L667 V671 L759 W778 L784 F785 K786	L667-F782 HydrophobicContact CD1-CE2 3.82Å; L667-F782 HydrophobicContact CD1-CZ 4.39Å; L667-F782 HydrophobicContact CD2-CD2 4.3Å; L667-F782 HydrophobicContact CD2-CE2 4Å; L667-F782 HydrophobicContact CG-CD2 4.43Å; L667-F782 HydrophobicContact CG-CE2 3.99Å; V671-F782 HydrophobicContact CG2-CD2 4.39Å; V671-F782 HydrophobicContact CG2-CE2 3.89Å; L759-F782 HydrophobicContact CD2-CE2 4.4Å; L759-F782 HydrophobicContact CD2-CZ 4.18Å; W778-F782 PolarHBondContact O-N 2.71Å; F782-L784 PolarHBondContact O-N 2.97Å; F782-F785 WeakPolarHBondContact O-CB 3.06Å; F782-F785 PolarHBondContact O-N 2.74Å; F782-K786 WeakPolarHBondContact O-CB 3.28Å; F782-K786 PolarHBondContact O-N 3.35Å
783	P	70.9	Confident	67.9	Low	63 Å²	63	56.5 Å²	56.5	41%	0.409	30%	0.298	S	S	.	.	H	α-helix	trans	-63.6	-38.5	172.7	-23.3	35.2	0	0	0	113	Y779 F785 K786 I787	Y779-P783 WeakPolarHBondContact O-CD 3.45Å; Y779-P783 WeakPolarHBondContact O-CG 3.49Å; P783-F785 VanDerWaalsContact C-N 3.34Å; P783-K786 PolarHBondContact O-N 2.58Å; P783-I787 WeakPolarHBondContact O-CB 3.47Å; P783-I787 WeakPolarHBondContact O-CD1 3.48Å; P783-I787 VanDerWaalsContact O-CG1 3.23Å; P783-I787 WeakPolarHBondContact O-CG1 3.47Å; P783-I787 PolarHBondContact O-N 3.2Å
784	L	72.4	Confident	70.1	Confident	24 Å²	24	56.3 Å²	56.3	13%	0.126	29%	0.286	C	S	.	.	H	α-helix	trans	-66.7	-37.3	176.4	-63	174.9	0	0	0	111.6	A780 V781 F782 G788 T882 F883	A780-L784 WeakPolarHBondContact O-CD1 3.05Å; V781-L784 CarbonylContact O-C 3.57Å; V781-L784 WeakPolarHBondContact O-CB 3.25Å; V781-L784 PolarHBondContact O-N 3.05Å; F782-L784 PolarHBondContact O-N 2.97Å; L784-G788 PolarHBondContact O-N 3.41Å; L784-T882 HydrophobicContact CB-CG2 4.5Å; L784-F883 HydrophobicContact CD1-CE1 3.74Å; L784-F883 HydrophobicContact CD1-CZ 3.93Å; L784-F883 HydrophobicContact CD2-CD1 4.05Å; L784-F883 HydrophobicContact CD2-CE1 3.53Å; L784-F883 HydrophobicContact CD2-CZ 4.37Å; L784-F883 HydrophobicContact CG-CE1 4.29Å
785	F	77.7	Confident	72.3	Confident	14 Å²	14	49 Å²	49	6%	0.061	25%	0.246	C	C	.	.	H	α-helix	trans	-64.3	-46.8	173.6	177.3	-97.8	0	0	0	111.5	V671 N675 L759 V781 F782 P783 G788 L789 L814	V671-F785 HydrophobicContact CB-CE1 4.29Å; V671-F785 HydrophobicContact CG1-CD1 3.67Å; V671-F785 HydrophobicContact CG1-CD2 4.25Å; V671-F785 HydrophobicContact CG1-CE1 3.47Å; V671-F785 VanDerWaalsContact CG1-CE1 3.47Å; V671-F785 HydrophobicContact CG1-CE2 4.09Å; V671-F785 HydrophobicContact CG1-CG 4.06Å; V671-F785 HydrophobicContact CG1-CZ 3.7Å; V671-F785 HydrophobicContact CG2-CD1 4.45Å; V671-F785 HydrophobicContact CG2-CE1 4.13Å; N675-F785 HydrophobicContact CB-CE2 3.79Å; N675-F785 HydrophobicContact CB-CZ 3.97Å; L759-F785 HydrophobicContact CD1-CE1 4.37Å; V781-F785 PolarHBondContact O-N 3.28Å; F782-F785 WeakPolarHBondContact O-CB 3.06Å; F782-F785 PolarHBondContact O-N 2.74Å; P783-F785 VanDerWaalsContact C-N 3.34Å; F785-G788 CarbonylContact O-C 3.58Å; F785-G788 WeakPolarHBondContact O-CA 3.38Å; F785-G788 PolarHBondContact O-N 2.9Å; F785-G788 VanDerWaalsContact O-N 3.15Å; F785-L789 HydrophobicContact CD1-CD1 4.29Å; F785-L789 HydrophobicContact CD1-CG 4.3Å; F785-L789 HydrophobicContact CE1-CD1 3.38Å; F785-L789 HydrophobicContact CE1-CD2 4.32Å; F785-L789 HydrophobicContact CE1-CG 3.67Å; F785-L789 HydrophobicContact CE2-CD2 4.04Å; F785-L789 HydrophobicContact CE2-CG 4.12Å; F785-L789 HydrophobicContact CZ-CD1 3.54Å; F785-L789 HydrophobicContact CZ-CD2 3.7Å; F785-L789 HydrophobicContact CZ-CG 3.57Å; F785-L789 PolarHBondContact O-N 3.02Å; F785-L814 HydrophobicContact CD2-CB 4.37Å
786	K	78.6	Confident	74.3	Confident	44 Å²	44	47.8 Å²	47.8	19%	0.191	24%	0.239	C	C	.	.	H	α-helix	trans	-61.1	-47.3	177.5	-176	170	178.6	166.9	0	112.4	L759 N760 C763 F782 P783 G788 L789 A790	L759-K786 PolarHBondContact O-NZ 2.99Å; N760-K786 WeakPolarHBondContact OD1-CE 3.5Å; N760-K786 PolarHBondContact OD1-NZ 3.31Å; C763-K786 PolarHBondContact SG-NZ 3.02Å; C763-K786 VanDerWaalsContact SG-NZ 3.35Å; F782-K786 WeakPolarHBondContact O-CB 3.28Å; F782-K786 PolarHBondContact O-N 3.35Å; P783-K786 PolarHBondContact O-N 2.58Å; K786-G788 VanDerWaalsContact C-N 3.29Å; K786-G788 PolarHBondContact O-N 3.42Å; K786-L789 PolarHBondContact O-N 3Å; K786-A790 PolarHBondContact O-N 3.28Å
787	I	79.8	Confident	76.1	Confident	49 Å²	49	46.7 Å²	46.7	25%	0.251	23%	0.228	S	C	.	.	H	α-helix	trans	-59.5	-41.7	172.4	-68.5	164.5	0	0	0	110.6	P783 A790 K791 L885	P783-I787 WeakPolarHBondContact O-CB 3.47Å; P783-I787 WeakPolarHBondContact O-CD1 3.48Å; P783-I787 VanDerWaalsContact O-CG1 3.23Å; P783-I787 WeakPolarHBondContact O-CG1 3.47Å; P783-I787 PolarHBondContact O-N 3.2Å; I787-A790 PolarHBondContact O-N 2.76Å; I787-K791 WeakPolarHBondContact O-CB 3.32Å; I787-K791 PolarHBondContact O-N 3.26Å; I787-L885 HydrophobicContact CG2-CB 3.93Å; I787-L885 HydrophobicContact CG2-CD1 3.78Å
788	G	84.7	Confident	77.7	Confident	0 Å²	0	41 Å²	41	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-62.8	-43.2	177.4	0	0	0	0	0	113.9	L784 F785 K786 K791 A792	L784-G788 PolarHBondContact O-N 3.41Å; F785-G788 CarbonylContact O-C 3.58Å; F785-G788 WeakPolarHBondContact O-CA 3.38Å; F785-G788 PolarHBondContact O-N 2.9Å; F785-G788 VanDerWaalsContact O-N 3.15Å; K786-G788 VanDerWaalsContact C-N 3.29Å; K786-G788 PolarHBondContact O-N 3.42Å; G788-K791 PolarHBondContact O-N 3.47Å; G788-A792 WeakPolarHBondContact O-CB 3.12Å; G788-A792 PolarHBondContact O-N 3.36Å
789	L	84.8	Confident	79	Confident	0 Å²	0	38.2 Å²	38.2	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-63.9	-45.9	172.7	-74	-164.9	0	0	0	111.6	F674 L752 L756 L759 F785 K786 K791 A792 A793 L811	F674-L789 HydrophobicContact CD1-CD1 4.46Å; F674-L789 HydrophobicContact CE1-CD1 4.3Å; L752-L789 HydrophobicContact CD2-CD2 4.24Å; L756-L789 HydrophobicContact CD1-CB 4.48Å; L756-L789 HydrophobicContact CD2-CB 3.75Å; L756-L789 HydrophobicContact CD2-CD1 4.46Å; L756-L789 HydrophobicContact CG-CB 4.23Å; L759-L789 HydrophobicContact CD1-CD1 4.07Å; F785-L789 HydrophobicContact CD1-CD1 4.29Å; F785-L789 HydrophobicContact CD1-CG 4.3Å; F785-L789 HydrophobicContact CE1-CD1 3.38Å; F785-L789 HydrophobicContact CE1-CD2 4.32Å; F785-L789 HydrophobicContact CE1-CG 3.67Å; F785-L789 HydrophobicContact CE2-CD2 4.04Å; F785-L789 HydrophobicContact CE2-CG 4.12Å; F785-L789 HydrophobicContact CZ-CD1 3.54Å; F785-L789 HydrophobicContact CZ-CD2 3.7Å; F785-L789 HydrophobicContact CZ-CG 3.57Å; F785-L789 PolarHBondContact O-N 3.02Å; K786-L789 PolarHBondContact O-N 3Å; L789-K791 VanDerWaalsContact C-N 3.29Å; L789-K791 PolarHBondContact O-N 2.81Å; L789-A792 WeakPolarHBondContact O-CB 3.22Å; L789-A792 PolarHBondContact O-N 2.82Å; L789-A792 VanDerWaalsContact O-N 3.13Å; L789-A793 PolarHBondContact O-N 3.31Å; L789-L811 HydrophobicContact CD2-CD2 3.48Å; L789-L811 VanDerWaalsContact CD2-CD2 3.48Å
790	A	84.5	Confident	80.5	Confident	25 Å²	25	38.9 Å²	38.9	21%	0.207	21%	0.212	C	C	.	.	H	α-helix	trans	-59.3	-41	176.9	0	0	0	0	0	111.4	L756 K786 I787 A793 H794	L756-A790 HydrophobicContact CD1-CB 4.35Å; L756-A790 HydrophobicContact CD2-CB 4.33Å; K786-A790 PolarHBondContact O-N 3.28Å; I787-A790 PolarHBondContact O-N 2.76Å; A790-A793 PolarHBondContact O-N 3.23Å; A790-H794 PolarHBondContact O-N 2.86Å
791	K	87.9	Confident	81.7	Confident	46 Å²	46	40 Å²	40	20%	0.2	22%	0.216	C	C	.	.	H	α-helix	trans	-71.7	-31.9	175.5	-164.4	49.4	163.2	-174.5	0	113	I787 G788 L789 H794 V795 L810 M881 L885	I787-K791 WeakPolarHBondContact O-CB 3.32Å; I787-K791 PolarHBondContact O-N 3.26Å; G788-K791 PolarHBondContact O-N 3.47Å; L789-K791 VanDerWaalsContact C-N 3.29Å; L789-K791 PolarHBondContact O-N 2.81Å; K791-H794 HydrophobicContact CD-CB 4.1Å; K791-H794 PolarHBondContact NZ-CE1 2.85Å; K791-H794 PolarHBondContact NZ-NE2 3.42Å; K791-H794 PolarHBondContact O-N 3.36Å; K791-V795 WeakPolarHBondContact O-CB 3.06Å; K791-V795 VanDerWaalsContact O-CG2 3.25Å; K791-V795 WeakPolarHBondContact O-CG2 3.36Å; K791-V795 PolarHBondContact O-N 2.9Å; K791-L810 HydrophobicContact CB-CD2 4.09Å; K791-L810 HydrophobicContact CG-CD2 4.29Å; K791-M881 HydrophobicContact CG-CB 4.46Å; K791-L885 HydrophobicContact CB-CD1 3.88Å; K791-L885 HydrophobicContact CD-CD1 4.03Å; K791-L885 HydrophobicContact CG-CD1 3.97Å
792	A	90	Very high	82.9	Confident	0 Å²	0	41.9 Å²	41.9	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-64.3	-42.3	171	0	0	0	0	0	111.8	L752 G788 L789 V795 L796 L810 L811	L752-A792 HydrophobicContact CD1-CB 3.9Å; G788-A792 WeakPolarHBondContact O-CB 3.12Å; G788-A792 PolarHBondContact O-N 3.36Å; L789-A792 WeakPolarHBondContact O-CB 3.22Å; L789-A792 PolarHBondContact O-N 2.82Å; L789-A792 VanDerWaalsContact O-N 3.13Å; A792-V795 PolarHBondContact O-N 2.82Å; A792-L796 WeakPolarHBondContact O-CG 3.24Å; A792-L796 PolarHBondContact O-N 3.49Å; A792-L796 VanDerWaalsContact O-N 3.1Å; A792-L810 HydrophobicContact CB-CD2 4.11Å; A792-L811 HydrophobicContact CB-CD2 3.84Å; A792-L811 HydrophobicContact CB-CG 4.19Å
793	A	87.9	Confident	83.9	Confident	4 Å²	4	40 Å²	40	3%	0.033	22%	0.217	C	C	.	.	H	α-helix	trans	-62	-47.7	173.7	0	0	0	0	0	111.7	L752 V753 L756 L789 A790 V795 L796 F797	L752-A793 HydrophobicContact CB-CB 4.01Å; L752-A793 HydrophobicContact CD1-CB 4.16Å; V753-A793 HydrophobicContact CG2-CB 4.39Å; L756-A793 HydrophobicContact CD1-CB 4.1Å; L789-A793 PolarHBondContact O-N 3.31Å; A790-A793 PolarHBondContact O-N 3.23Å; A793-V795 PolarHBondContact O-N 2.9Å; A793-L796 WeakPolarHBondContact O-CB 3.39Å; A793-L796 PolarHBondContact O-N 3.46Å; A793-L796 VanDerWaalsContact O-N 3.15Å; A793-F797 HydrophobicContact CB-CE2 4.4Å; A793-F797 WeakPolarHBondContact O-CD2 3.43Å; A793-F797 PolarHBondContact O-N 3.02Å
794	H	87.2	Confident	84.8	Confident	95 Å²	95	37.5 Å²	37.5	44%	0.44	20%	0.199	S	C	.	.	H	α-helix	trans	-55.2	-48.4	173	174.2	-54.7	0	0	0	112	A790 K791 L796 F797 E798	A790-H794 PolarHBondContact O-N 2.86Å; K791-H794 HydrophobicContact CD-CB 4.1Å; K791-H794 PolarHBondContact NZ-CE1 2.85Å; K791-H794 PolarHBondContact NZ-NE2 3.42Å; K791-H794 PolarHBondContact O-N 3.36Å; H794-L796 PolarHBondContact O-N 2.92Å; H794-F797 PolarHBondContact O-N 3.44Å; H794-F797 VanDerWaalsContact O-N 3.1Å; H794-E798 IonicContact CE1-OE1 2.85Å; H794-E798 IonicContact ND1-OE1 2.66Å; H794-E798 PolarHBondContact O-N 3.04Å
795	V	89.9	Confident	85.7	Confident	0 Å²	0	39.4 Å²	39.4	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-59.4	-33.8	179.7	164.1	0	0	0	0	111.6	K791 A792 A793 E798 A803 R806 A807 M881	K791-V795 WeakPolarHBondContact O-CB 3.06Å; K791-V795 VanDerWaalsContact O-CG2 3.25Å; K791-V795 WeakPolarHBondContact O-CG2 3.36Å; K791-V795 PolarHBondContact O-N 2.9Å; A792-V795 PolarHBondContact O-N 2.82Å; A793-V795 PolarHBondContact O-N 2.9Å; V795-E798 WeakPolarHBondContact O-CB 3.42Å; V795-A803 VanDerWaalsContact O-CB 3.22Å; V795-A803 WeakPolarHBondContact O-CB 3.48Å; V795-R806 HydrophobicContact CG1-CB 3.65Å; V795-A807 HydrophobicContact CG1-CB 4.16Å; V795-M881 HydrophobicContact CG2-SD 4.11Å
796	L	88.9	Confident	86.3	Confident	0 Å²	0	40.2 Å²	40.2	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-74.6	-36.9	174.4	-69.4	165.1	0	0	0	113	I682 C745 A748 A749 L752 A792 A793 H794 E798 G799 L804 A807	I682-L796 HydrophobicContact CD1-CD1 4.09Å; C745-L796 HydrophobicContact CB-CD2 4.14Å; A748-L796 HydrophobicContact CB-CD1 3.83Å; A748-L796 HydrophobicContact CB-CD2 4.2Å; A749-L796 HydrophobicContact CB-CB 3.8Å; L752-L796 HydrophobicContact CD1-CD1 3.68Å; A792-L796 WeakPolarHBondContact O-CG 3.24Å; A792-L796 PolarHBondContact O-N 3.49Å; A792-L796 VanDerWaalsContact O-N 3.1Å; A793-L796 WeakPolarHBondContact O-CB 3.39Å; A793-L796 PolarHBondContact O-N 3.46Å; A793-L796 VanDerWaalsContact O-N 3.15Å; H794-L796 PolarHBondContact O-N 2.92Å; L796-E798 VanDerWaalsContact C-N 3.27Å; L796-E798 PolarHBondContact O-N 2.94Å; L796-G799 PolarHBondContact O-N 3.05Å; L796-L804 HydrophobicContact CD2-CD2 3.72Å; L796-L804 HydrophobicContact CD2-CG 4.31Å; L796-A807 HydrophobicContact CD1-CB 4.05Å; L796-A807 HydrophobicContact CD2-CB 3.77Å; L796-A807 HydrophobicContact CG-CB 3.66Å
797	F	86.6	Confident	86.9	Confident	110 Å²	110	38.1 Å²	38.1	48%	0.482	21%	0.206	S	C	.	.	H	α-helix	trans	-66.9	-22.7	173.3	-73.9	-56.8	0	0	0	113.7	A749 V753 A793 H794 G799	A749-F797 HydrophobicContact CB-CD1 3.8Å; A749-F797 HydrophobicContact CB-CD2 4.04Å; A749-F797 HydrophobicContact CB-CE1 3.55Å; A749-F797 HydrophobicContact CB-CE2 3.81Å; A749-F797 HydrophobicContact CB-CG 4.03Å; A749-F797 HydrophobicContact CB-CZ 3.55Å; V753-F797 HydrophobicContact CG2-CE2 3.78Å; V753-F797 HydrophobicContact CG2-CZ 3.96Å; A793-F797 HydrophobicContact CB-CE2 4.4Å; A793-F797 WeakPolarHBondContact O-CD2 3.43Å; A793-F797 PolarHBondContact O-N 3.02Å; H794-F797 PolarHBondContact O-N 3.44Å; H794-F797 VanDerWaalsContact O-N 3.1Å; F797-G799 PolarHBondContact O-N 3.41Å; F797-G799 VanDerWaalsContact O-N 3.08Å
798	E	86.6	Confident	87.5	Confident	55 Å²	55	36.7 Å²	36.7	26%	0.257	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57	-20.8	171.3	-68	175	-146.6	0	0	113.3	H794 V795 L796 K800 R806	H794-E798 IonicContact CE1-OE1 2.85Å; H794-E798 IonicContact ND1-OE1 2.66Å; H794-E798 PolarHBondContact O-N 3.04Å; V795-E798 WeakPolarHBondContact O-CB 3.42Å; L796-E798 VanDerWaalsContact C-N 3.27Å; L796-E798 PolarHBondContact O-N 2.94Å; E798-K800 HydrophobicContact CB-CD 4.39Å; E798-K800 HydrophobicContact CB-CG 4.28Å; E798-K800 PolarHBondContact O-N 3.3Å; E798-K800 WeakPolarHBondContact OE2-CD 3.45Å; E798-K800 WeakPolarHBondContact OE2-CE 3.43Å; E798-K800 IonicContact OE2-NZ 3.92Å; E798-K800 PolarHBondContact OE2-NZ 2.83Å; E798-R806 IonicContact OE1-NH1 3.73Å; E798-R806 PolarHBondContact OE1-NH1 2.87Å; E798-R806 VanDerWaalsContact OE1-NH1 3.15Å; E798-R806 IonicContact OE2-CZ 3.72Å; E798-R806 IonicContact OE2-NH1 2.75Å; E798-R806 PolarHBondContact OE2-NH1 3.41Å; E798-R806 IonicContact OE2-NH2 3.5Å; E798-R806 PolarHBondContact OE2-NH2 3.22Å
799	G	79.2	Confident	87.9	Confident	43 Å²	43	37.9 Å²	37.9	44%	0.443	21%	0.205	S	C	.	.			trans	67.2	-0.3	175.3	0	0	0	0	0	116.1	L796 F797	L796-G799 PolarHBondContact O-N 3.05Å; F797-G799 PolarHBondContact O-N 3.41Å; F797-G799 VanDerWaalsContact O-N 3.08Å
800	K	85.7	Confident	88.2	Confident	118 Å²	118	37.9 Å²	37.9	51%	0.513	21%	0.205	S	C	.	.			trans	-64.5	150.3	-178.8	-64.5	174.8	-166.7	154.8	0	111.3	E798 D802 A803	E798-K800 HydrophobicContact CB-CD 4.39Å; E798-K800 HydrophobicContact CB-CG 4.28Å; E798-K800 PolarHBondContact O-N 3.3Å; E798-K800 WeakPolarHBondContact OE2-CD 3.45Å; E798-K800 WeakPolarHBondContact OE2-CE 3.43Å; E798-K800 IonicContact OE2-NZ 3.92Å; E798-K800 PolarHBondContact OE2-NZ 2.83Å; K800-D802 VanDerWaalsContact CB-OD1 3.25Å; K800-D802 WeakPolarHBondContact CB-OD1 3.3Å; K800-D802 PolarHBondContact O-N 3.09Å; K800-A803 WeakPolarHBondContact O-CB 3.21Å; K800-A803 PolarHBondContact O-N 2.97Å
801	C	81.4	Confident	88.6	Confident	89 Å²	89	36.7 Å²	36.7	60%	0.601	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-15.5	-177.5	68.3	0	0	0	0	115.1
802	D	87.3	Confident	88.8	Confident	62 Å²	62	35.2 Å²	35.2	33%	0.332	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100	-6.9	177.5	75.4	-27.7	0	0	0	113.9	K800 L804 T805 R806	K800-D802 VanDerWaalsContact CB-OD1 3.25Å; K800-D802 WeakPolarHBondContact CB-OD1 3.3Å; K800-D802 PolarHBondContact O-N 3.09Å; D802-L804 VanDerWaalsContact C-N 3.35Å; D802-L804 PolarHBondContact O-N 2.9Å; D802-T805 WeakPolarHBondContact O-CA 3.49Å; D802-T805 WeakPolarHBondContact O-CB 3.48Å; D802-T805 PolarHBondContact O-N 3.04Å; D802-R806 PolarHBondContact O-N 3.34Å; D802-R806 IonicContact OD1-CZ 2.73Å; D802-R806 IonicContact OD1-NE 2.76Å; D802-R806 PolarHBondContact OD1-NE 2.96Å; D802-R806 IonicContact OD1-NH2 2.65Å; D802-R806 PolarHBondContact OD1-NH2 2.95Å; D802-R806 IonicContact OD2-CZ 3.52Å; D802-R806 IonicContact OD2-NE 3.77Å; D802-R806 PolarHBondContact OD2-NE 3.39Å; D802-R806 IonicContact OD2-NH2 3.56Å
803	A	90	Very high	88.9	Confident	0 Å²	0	35.5 Å²	35.5	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-54.8	-45.7	-168.9	0	0	0	0	0	113	V795 K800 T805 R806 A807	V795-A803 VanDerWaalsContact O-CB 3.22Å; V795-A803 WeakPolarHBondContact O-CB 3.48Å; K800-A803 WeakPolarHBondContact O-CB 3.21Å; K800-A803 PolarHBondContact O-N 2.97Å; A803-T805 PolarHBondContact O-N 2.79Å; A803-R806 PolarHBondContact O-N 3.14Å; A803-A807 VanDerWaalsContact O-CB 3.26Å; A803-A807 WeakPolarHBondContact O-CB 3.3Å; A803-A807 PolarHBondContact O-N 2.85Å
804	L	89.9	Confident	88.9	Confident	9 Å²	9	35.9 Å²	35.9	5%	0.047	19%	0.192	C	C	.	.	H	α-helix	trans	-58.1	-34.7	174.4	-70	168.5	0	0	0	112	I682 F685 K686 C745 A748 L796 D802 Q808	I682-L804 HydrophobicContact CG2-CB 4.05Å; I682-L804 HydrophobicContact CG2-CD2 3.99Å; I682-L804 WeakPolarHBondContact CG2-O 3.11Å; F685-L804 HydrophobicContact CB-CD1 4.11Å; F685-L804 HydrophobicContact CB-CD2 3.97Å; F685-L804 HydrophobicContact CD2-CD2 4.17Å; K686-L804 HydrophobicContact CD-CB 4.12Å; K686-L804 HydrophobicContact CG-CB 3.69Å; K686-L804 HydrophobicContact CG-CD1 4.2Å; C745-L804 HydrophobicContact CB-CD2 4.38Å; C745-L804 HydrophobicContact CB-CG 4.34Å; A748-L804 HydrophobicContact CB-CD2 4.33Å; L796-L804 HydrophobicContact CD2-CD2 3.72Å; L796-L804 HydrophobicContact CD2-CG 4.31Å; D802-L804 VanDerWaalsContact C-N 3.35Å; D802-L804 PolarHBondContact O-N 2.9Å; L804-Q808 WeakPolarHBondContact O-CB 3.38Å; L804-Q808 PolarHBondContact O-N 3.46Å
805	T	90.5	Very high	89	Confident	64 Å²	64	31.5 Å²	31.5	39%	0.393	17%	0.171	S	C	.	.	H	α-helix	trans	-78.2	-42	179.3	-61.6	0	0	0	0	112.5	K686 D802 A803 Q808 T809	K686-T805 WeakPolarHBondContact CE-OG1 3.43Å; K686-T805 PolarHBondContact NZ-OG1 2.89Å; D802-T805 WeakPolarHBondContact O-CA 3.49Å; D802-T805 WeakPolarHBondContact O-CB 3.48Å; D802-T805 PolarHBondContact O-N 3.04Å; A803-T805 PolarHBondContact O-N 2.79Å; T805-Q808 PolarHBondContact O-N 3.07Å; T805-T809 WeakPolarHBondContact O-CB 3.16Å; T805-T809 PolarHBondContact O-N 3.43Å; T805-T809 PolarHBondContact O-OG1 2.71Å
806	R	90.6	Very high	89	Confident	32 Å²	32	32.4 Å²	32.4	12%	0.121	18%	0.175	C	C	.	.	H	α-helix	trans	-63.7	-43.7	173.6	-81	-171.1	-71.4	123.5	5.9	111.5	V795 E798 D802 A803 T809 L810 E877	V795-R806 HydrophobicContact CG1-CB 3.65Å; E798-R806 IonicContact OE1-NH1 3.73Å; E798-R806 PolarHBondContact OE1-NH1 2.87Å; E798-R806 VanDerWaalsContact OE1-NH1 3.15Å; E798-R806 IonicContact OE2-CZ 3.72Å; E798-R806 IonicContact OE2-NH1 2.75Å; E798-R806 PolarHBondContact OE2-NH1 3.41Å; E798-R806 IonicContact OE2-NH2 3.5Å; E798-R806 PolarHBondContact OE2-NH2 3.22Å; D802-R806 PolarHBondContact O-N 3.34Å; D802-R806 IonicContact OD1-CZ 2.73Å; D802-R806 IonicContact OD1-NE 2.76Å; D802-R806 PolarHBondContact OD1-NE 2.96Å; D802-R806 IonicContact OD1-NH2 2.65Å; D802-R806 PolarHBondContact OD1-NH2 2.95Å; D802-R806 IonicContact OD2-CZ 3.52Å; D802-R806 IonicContact OD2-NE 3.77Å; D802-R806 PolarHBondContact OD2-NE 3.39Å; D802-R806 IonicContact OD2-NH2 3.56Å; A803-R806 PolarHBondContact O-N 3.14Å; R806-T809 PolarHBondContact O-N 3.34Å; R806-L810 WeakPolarHBondContact O-CB 3.38Å; R806-L810 PolarHBondContact O-N 2.87Å; R806-E877 WeakPolarHBondContact CD-OE1 3.4Å
807	A	91.9	Very high	89	Confident	0 Å²	0	32.5 Å²	32.5	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-62.8	-46.3	175.4	0	0	0	0	0	112.3	I682 V795 L796 A803 T809 L810 L811	I682-A807 HydrophobicContact CD1-CB 4Å; V795-A807 HydrophobicContact CG1-CB 4.16Å; L796-A807 HydrophobicContact CD1-CB 4.05Å; L796-A807 HydrophobicContact CD2-CB 3.77Å; L796-A807 HydrophobicContact CG-CB 3.66Å; A803-A807 VanDerWaalsContact O-CB 3.26Å; A803-A807 WeakPolarHBondContact O-CB 3.3Å; A803-A807 PolarHBondContact O-N 2.85Å; A807-T809 VanDerWaalsContact C-N 3.29Å; A807-T809 PolarHBondContact O-N 3.28Å; A807-L810 PolarHBondContact O-N 3.36Å; A807-L811 WeakPolarHBondContact O-CG 3.31Å; A807-L811 PolarHBondContact O-N 3.35Å
808	Q	92.4	Very high	88.8	Confident	19 Å²	19	27.9 Å²	27.9	9%	0.089	16%	0.158	C	C	.	.	H	α-helix	trans	-56.8	-43.8	174.3	-169	-174	24.2	0	0	111.9	I682 T683 L804 T805 L811 Q812	I682-Q808 HydrophobicContact CG2-CB 3.78Å; I682-Q808 HydrophobicContact CG2-CG 4.36Å; T683-Q808 PolarHBondContact OG1-NE2 2.96Å; L804-Q808 WeakPolarHBondContact O-CB 3.38Å; L804-Q808 PolarHBondContact O-N 3.46Å; T805-Q808 PolarHBondContact O-N 3.07Å; Q808-L811 PolarHBondContact O-N 3.04Å; Q808-Q812 HydrophobicContact CG-CG 4.45Å; Q808-Q812 VanDerWaalsContact O-CB 3.29Å; Q808-Q812 WeakPolarHBondContact O-CB 3.45Å; Q808-Q812 VanDerWaalsContact O-CG 3.23Å; Q808-Q812 WeakPolarHBondContact O-CG 3.36Å; Q808-Q812 PolarHBondContact O-N 3.26Å
809	T	92.1	Very high	88.1	Confident	25 Å²	25	28.1 Å²	28.1	15%	0.153	18%	0.175	C	C	.	.	H	α-helix	trans	-63.9	-42.4	179.7	-55.8	0	0	0	0	111.2	T805 R806 A807 Y813 S874 A878	T805-T809 WeakPolarHBondContact O-CB 3.16Å; T805-T809 PolarHBondContact O-N 3.43Å; T805-T809 PolarHBondContact O-OG1 2.71Å; R806-T809 PolarHBondContact O-N 3.34Å; A807-T809 VanDerWaalsContact C-N 3.29Å; A807-T809 PolarHBondContact O-N 3.28Å; T809-Y813 WeakPolarHBondContact O-CB 3.2Å; T809-Y813 PolarHBondContact O-N 3.15Å; T809-S874 WeakPolarHBondContact CG2-O 3.26Å; T809-A878 HydrophobicContact CG2-CB 4.39Å
810	L	92.5	Very high	88	Confident	0 Å²	0	31.2 Å²	31.2	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-64.4	-48.9	176.7	-179.7	56.6	0	0	0	111.7	K791 A792 R806 A807 Q812 Y813 L814 A878 M881 T882	K791-L810 HydrophobicContact CB-CD2 4.09Å; K791-L810 HydrophobicContact CG-CD2 4.29Å; A792-L810 HydrophobicContact CB-CD2 4.11Å; R806-L810 WeakPolarHBondContact O-CB 3.38Å; R806-L810 PolarHBondContact O-N 2.87Å; A807-L810 PolarHBondContact O-N 3.36Å; L810-Q812 PolarHBondContact O-N 3.01Å; L810-Y813 WeakPolarHBondContact O-CB 3.46Å; L810-Y813 PolarHBondContact O-N 3.32Å; L810-L814 HydrophobicContact CD1-CD1 4.41Å; L810-L814 HydrophobicContact CD1-CG 4.41Å; L810-L814 HydrophobicContact CG-CD1 4.28Å; L810-L814 VanDerWaalsContact O-CG 3.28Å; L810-L814 WeakPolarHBondContact O-CG 3.31Å; L810-L814 PolarHBondContact O-N 3.46Å; L810-A878 HydrophobicContact CD1-CB 4.25Å; L810-M881 HydrophobicContact CB-CE 4.37Å; L810-M881 HydrophobicContact CD1-CB 4.32Å; L810-M881 HydrophobicContact CD2-CB 4.45Å; L810-T882 WeakPolarHBondContact CD1-OG1 3.34Å
811	L	92.1	Very high	87.5	Confident	0 Å²	0	28.5 Å²	28.5	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-60.6	-42.4	176.5	-66.8	-177	0	0	0	112.3	N675 M678 I679 I682 L789 A792 A807 Q808 L814 F815	N675-L811 PolarHBondContact ND2-O 3.46Å; N675-L811 WeakPolarHBondContact OD1-CB 3.47Å; N675-L811 PolarHBondContact OD1-O 2.99Å; M678-L811 HydrophobicContact CB-CD1 3.67Å; I679-L811 HydrophobicContact CD1-CB 4.32Å; I679-L811 HydrophobicContact CG1-CB 3.67Å; I682-L811 HydrophobicContact CD1-CD1 3.75Å; L789-L811 HydrophobicContact CD2-CD2 3.48Å; L789-L811 VanDerWaalsContact CD2-CD2 3.48Å; A792-L811 HydrophobicContact CB-CD2 3.84Å; A792-L811 HydrophobicContact CB-CG 4.19Å; A807-L811 WeakPolarHBondContact O-CG 3.31Å; A807-L811 PolarHBondContact O-N 3.35Å; Q808-L811 PolarHBondContact O-N 3.04Å; L811-L814 HydrophobicContact CD2-CD1 4.43Å; L811-L814 PolarHBondContact O-N 2.93Å; L811-F815 WeakPolarHBondContact O-CB 3.46Å; L811-F815 PolarHBondContact O-N 2.91Å
812	Q	92.3	Very high	87.2	Confident	15 Å²	15	28.6 Å²	28.6	7%	0.07	16%	0.164	C	C	.	.	H	α-helix	trans	-64.2	-39.2	174.8	-76.1	174.9	-13	0	0	112.5	I679 Q808 L810 F815 W816 F866	I679-Q812 HydrophobicContact CD1-CG 3.94Å; I679-Q812 HydrophobicContact CG1-CG 4.04Å; I679-Q812 HydrophobicContact CG2-CG 3.78Å; Q808-Q812 HydrophobicContact CG-CG 4.45Å; Q808-Q812 VanDerWaalsContact O-CB 3.29Å; Q808-Q812 WeakPolarHBondContact O-CB 3.45Å; Q808-Q812 VanDerWaalsContact O-CG 3.23Å; Q808-Q812 WeakPolarHBondContact O-CG 3.36Å; Q808-Q812 PolarHBondContact O-N 3.26Å; L810-Q812 PolarHBondContact O-N 3.01Å; Q812-F815 PolarHBondContact O-N 3.44Å; Q812-W816 WeakPolarHBondContact O-CB 3.45Å; Q812-W816 PolarHBondContact O-N 3.23Å; Q812-F866 HydrophobicContact CB-CD2 3.74Å; Q812-F866 HydrophobicContact CB-CE2 3.98Å; Q812-F866 HydrophobicContact CG-CD2 4.23Å
813	Y	91.6	Very high	86.8	Confident	5 Å²	5	31.8 Å²	31.8	2%	0.02	17%	0.171	C	C	.	.	H	α-helix	trans	-62.9	-44.4	172.6	166.4	-89.3	0	0	0	111.4	T809 L810 F815 V817 A818 A878 E879 T882	T809-Y813 WeakPolarHBondContact O-CB 3.2Å; T809-Y813 PolarHBondContact O-N 3.15Å; L810-Y813 WeakPolarHBondContact O-CB 3.46Å; L810-Y813 PolarHBondContact O-N 3.32Å; Y813-F815 VanDerWaalsContact C-N 3.29Å; Y813-F815 PolarHBondContact O-N 2.97Å; Y813-V817 HydrophobicContact CD2-CB 3.65Å; Y813-V817 HydrophobicContact CD2-CG1 3.96Å; Y813-V817 HydrophobicContact CD2-CG2 3.93Å; Y813-V817 HydrophobicContact CE2-CB 3.81Å; Y813-V817 HydrophobicContact CE2-CG1 3.7Å; Y813-V817 HydrophobicContact CG-CB 4.34Å; Y813-V817 WeakPolarHBondContact O-CA 3.42Å; Y813-V817 WeakPolarHBondContact O-CB 3.33Å; Y813-V817 PolarHBondContact O-N 2.77Å; Y813-A818 HydrophobicContact CD1-CB 4.43Å; Y813-A818 HydrophobicContact CE1-CB 3.94Å; Y813-A818 PolarHBondContact O-N 2.85Å; Y813-A878 HydrophobicContact CD1-CB 4.05Å; Y813-A878 HydrophobicContact CD2-CB 4.12Å; Y813-A878 HydrophobicContact CG-CB 3.62Å; Y813-E879 HydrophobicContact CE2-CB 3.99Å; Y813-E879 VanDerWaalsContact OH-CD 3.23Å; Y813-E879 PolarHBondContact OH-OE2 2.84Å; Y813-T882 WeakPolarHBondContact CE1-OG1 3.45Å
814	L	88.8	Confident	86.5	Confident	13 Å²	13	31.9 Å²	31.9	7%	0.068	17%	0.172	C	C	.	.	H	α-helix	trans	-63	-34.5	176	-65.9	167.7	0	0	0	112.4	F785 L810 L811 A818 T882	F785-L814 HydrophobicContact CD2-CB 4.37Å; L810-L814 HydrophobicContact CD1-CD1 4.41Å; L810-L814 HydrophobicContact CD1-CG 4.41Å; L810-L814 HydrophobicContact CG-CD1 4.28Å; L810-L814 VanDerWaalsContact O-CG 3.28Å; L810-L814 WeakPolarHBondContact O-CG 3.31Å; L810-L814 PolarHBondContact O-N 3.46Å; L811-L814 HydrophobicContact CD2-CD1 4.43Å; L811-L814 PolarHBondContact O-N 2.93Å; L814-A818 HydrophobicContact CD2-CB 4.27Å; L814-T882 HydrophobicContact CD2-CG2 4.14Å
815	F	89.5	Confident	86.2	Confident	2 Å²	2	36.2 Å²	36.2	1%	0.009	20%	0.199	C	C	.	.	H	α-helix	trans	-79	-42.6	178.8	-164.4	-95.5	0	0	0	113.1	N672 N675 F676 I679 M713 L811 Q812 Y813 K820 E859	N672-F815 HydrophobicContact CB-CE2 4.01Å; N672-F815 WeakPolarHBondContact O-CE2 3.32Å; N675-F815 HydrophobicContact CB-CD2 4.21Å; N675-F815 WeakPolarHBondContact ND2-CB 3.29Å; N675-F815 PolarHBondContact ND2-N 2.81Å; F676-F815 HydrophobicContact CB-CD2 4.44Å; F676-F815 HydrophobicContact CB-CE2 3.85Å; F676-F815 HydrophobicContact CB-CZ 4.17Å; F676-F815 AromaticContact CD2-CE1 3.99Å; F676-F815 HydrophobicContact CD2-CE1 3.99Å; F676-F815 HydrophobicContact CD2-CE2 4.22Å; F676-F815 AromaticContact CD2-CZ 3.8Å; F676-F815 HydrophobicContact CD2-CZ 3.8Å; F676-F815 HydrophobicContact CG-CE2 4.47Å; F676-F815 HydrophobicContact CG-CZ 4.32Å; I679-F815 HydrophobicContact CD1-CB 3.85Å; I679-F815 HydrophobicContact CD1-CG 4.22Å; M713-F815 HydrophobicContact CE-CZ 4.18Å; L811-F815 WeakPolarHBondContact O-CB 3.46Å; L811-F815 PolarHBondContact O-N 2.91Å; Q812-F815 PolarHBondContact O-N 3.44Å; Y813-F815 VanDerWaalsContact C-N 3.29Å; Y813-F815 PolarHBondContact O-N 2.97Å; F815-K820 WeakPolarHBondContact O-CE 3.43Å; F815-K820 PolarHBondContact O-NZ 3.04Å; F815-E859 HydrophobicContact CE1-CG 4.46Å
816	W	89.5	Confident	86	Confident	19 Å²	19	36.7 Å²	36.7	7%	0.072	20%	0.202	C	C	.	.	H	α-helix	trans	-101.9	-21.5	-168.9	-69.4	119.5	0	0	0	115.6	Q812 E859 R863 F866	Q812-W816 WeakPolarHBondContact O-CB 3.45Å; Q812-W816 PolarHBondContact O-N 3.23Å; W816-E859 HydrophobicContact CH2-CG 3.57Å; W816-E859 WeakPolarHBondContact CH2-OE1 3.38Å; W816-E859 HydrophobicContact CZ2-CG 4.09Å; W816-R863 HydrophobicContact CD2-CG 4.23Å; W816-R863 HydrophobicContact CE3-CG 4.16Å; W816-R863 HydrophobicContact CH2-CB 3.66Å; W816-R863 HydrophobicContact CH2-CG 3.72Å; W816-R863 HydrophobicContact CZ2-CB 3.46Å; W816-R863 VanDerWaalsContact CZ2-CB 3.46Å; W816-R863 HydrophobicContact CZ2-CG 3.77Å; W816-R863 HydrophobicContact CZ3-CB 4.38Å; W816-R863 HydrophobicContact CZ3-CG 3.93Å; W816-F866 HydrophobicContact CB-CD1 4.03Å; W816-F866 HydrophobicContact CB-CE1 3.5Å; W816-F866 VanDerWaalsContact CB-CE1 3.5Å; W816-F866 HydrophobicContact CB-CZ 3.92Å; W816-F866 AromaticContact CD1-CD1 3.37Å; W816-F866 AromaticContact CD1-CE1 3.74Å; W816-F866 AromaticContact CD1-CG 3.6Å; W816-F866 HydrophobicContact CD2-CD1 4.43Å; W816-F866 AromaticContact CG-CD1 3.68Å; W816-F866 HydrophobicContact CG-CD1 3.68Å; W816-F866 AromaticContact CG-CE1 3.7Å; W816-F866 HydrophobicContact CG-CE1 3.7Å; W816-F866 HydrophobicContact CG-CG 4.35Å; W816-F866 HydrophobicContact CG-CZ 4.37Å; W816-F866 AromaticContact NE1-CD1 3.95Å
817	V	88.2	Confident	85.8	Confident	2 Å²	2	37.9 Å²	37.9	1%	0.012	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-123.6	-51.4	-167.5	-166.5	0	0	0	0	112	Y813 G819 K820 T821 L824 W833 F866 L875	Y813-V817 HydrophobicContact CD2-CB 3.65Å; Y813-V817 HydrophobicContact CD2-CG1 3.96Å; Y813-V817 HydrophobicContact CD2-CG2 3.93Å; Y813-V817 HydrophobicContact CE2-CB 3.81Å; Y813-V817 HydrophobicContact CE2-CG1 3.7Å; Y813-V817 HydrophobicContact CG-CB 4.34Å; Y813-V817 WeakPolarHBondContact O-CA 3.42Å; Y813-V817 WeakPolarHBondContact O-CB 3.33Å; Y813-V817 PolarHBondContact O-N 2.77Å; V817-G819 PolarHBondContact O-N 2.81Å; V817-K820 PolarHBondContact O-N 3.39Å; V817-K820 VanDerWaalsContact O-N 3.07Å; V817-T821 PolarHBondContact O-N 2.54Å; V817-L824 HydrophobicContact CG1-CD1 3.74Å; V817-L824 HydrophobicContact CG1-CG 4.17Å; V817-W833 HydrophobicContact CB-CZ2 4.42Å; V817-W833 HydrophobicContact CG1-CZ2 4.32Å; V817-W833 HydrophobicContact CG2-CH2 3.64Å; V817-W833 HydrophobicContact CG2-CZ2 3.91Å; V817-W833 HydrophobicContact CG2-CZ3 4.15Å; V817-F866 HydrophobicContact CG2-CZ 4.13Å; V817-L875 HydrophobicContact CG2-CD2 4.28Å
818	A	82.9	Confident	85.5	Confident	14 Å²	14	42.2 Å²	42.2	12%	0.116	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	131.3	-175.1	0	0	0	0	0	111.6	Y813 L814 K820	Y813-A818 HydrophobicContact CD1-CB 4.43Å; Y813-A818 HydrophobicContact CE1-CB 3.94Å; Y813-A818 PolarHBondContact O-N 2.85Å; L814-A818 HydrophobicContact CD2-CB 4.27Å; A818-K820 PolarHBondContact O-N 2.65Å
819	G	72.7	Confident	85.2	Confident	60 Å²	60	46 Å²	46	62%	0.619	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	69.8	-13.2	-177.6	0	0	0	0	0	115.7	V817	V817-G819 PolarHBondContact O-N 2.81Å
820	K	77	Confident	85	Confident	107 Å²	107	44.8 Å²	44.8	47%	0.465	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.2	-20.8	-178.5	-67.4	177.2	178.5	175.5	0	113.1	F815 V817 A818	F815-K820 WeakPolarHBondContact O-CE 3.43Å; F815-K820 PolarHBondContact O-NZ 3.04Å; V817-K820 PolarHBondContact O-N 3.39Å; V817-K820 VanDerWaalsContact O-N 3.07Å; A818-K820 PolarHBondContact O-N 2.65Å
821	T	74.4	Confident	84.8	Confident	61 Å²	61	49 Å²	49	37%	0.374	25%	0.254	S	S	.	.	S	Bend	trans	-142.4	165.7	168.1	54.5	0	0	0	0	111.9	V817 W833	V817-T821 PolarHBondContact O-N 2.54Å; T821-W833 VanDerWaalsContact CG2-NE1 3.29Å; T821-W833 PolarHBondContact OG1-NE1 3.4Å
822	D	75.8	Confident	84.4	Confident	91 Å²	91	54 Å²	54	49%	0.487	28%	0.28	S	S	.	.	S	Bend	trans	-46.8	149.4	162.1	-61.8	11.6	0	0	0	112.2	L824 R829	D822-L824 PolarHBondContact O-N 2.93Å; D822-R829 VanDerWaalsContact CB-NH1 3.26Å; D822-R829 IonicContact OD2-CZ 2.73Å; D822-R829 IonicContact OD2-NH1 3.33Å; D822-R829 IonicContact OD2-NH2 3.54Å; D822-R829 PolarHBondContact OD2-NH2 3.32Å
823	R	78.9	Confident	84.3	Confident	129 Å²	129	54.5 Å²	54.5	49%	0.487	28%	0.281	S	S	.	.			trans	-52.1	134	177.1	-67.8	-163.2	-165.4	178.1	5.4	113.2	T825 R829 E879 F883	R823-T825 VanDerWaalsContact C-N 3.34Å; R823-T825 HydrophobicContact CB-CG2 4.1Å; R823-T825 PolarHBondContact O-N 2.85Å; R823-R829 WeakPolarHBondContact O-CD 3.3Å; R823-R829 PolarHBondContact O-NH1 2.88Å; R823-E879 WeakPolarHBondContact CB-OE1 3.38Å; R823-E879 WeakPolarHBondContact CD-OE1 3.48Å; R823-E879 WeakPolarHBondContact CG-OE1 3.2Å; R823-F883 HydrophobicContact CG-CE2 4.11Å; R823-F883 HydrophobicContact CG-CZ 4.3Å
824	L	83.7	Confident	84.2	Confident	3 Å²	3	54.3 Å²	54.3	2%	0.016	28%	0.28	C	S	.	.			trans	-81.7	80.5	174.4	-57.4	-175.7	0	0	0	109	V817 D822 R829 A830 W833 L875 L876 E879	V817-L824 HydrophobicContact CG1-CD1 3.74Å; V817-L824 HydrophobicContact CG1-CG 4.17Å; D822-L824 PolarHBondContact O-N 2.93Å; L824-R829 HydrophobicContact CD2-CG 4.26Å; L824-A830 HydrophobicContact CB-CB 4.29Å; L824-A830 HydrophobicContact CD1-CB 4.09Å; L824-W833 HydrophobicContact CD2-CB 4.08Å; L824-W833 HydrophobicContact CD2-CG 4.21Å; L824-L875 HydrophobicContact CD1-CB 4.01Å; L824-L875 HydrophobicContact CD1-CD1 3.86Å; L824-L876 HydrophobicContact CB-CD2 4.46Å; L824-L876 WeakPolarHBondContact O-CD2 3.33Å; L824-E879 WeakPolarHBondContact CA-OE2 3.36Å; L824-E879 WeakPolarHBondContact CB-OE2 3.37Å; L824-E879 PolarHBondContact N-OE2 2.97Å
825	T	82.6	Confident	84	Confident	100 Å²	100	54.6 Å²	54.6	61%	0.613	28%	0.282	S	S	*	.			trans	-80.4	-19.3	-175.8	51	0	0	0	0	114.6	R823	R823-T825 VanDerWaalsContact C-N 3.34Å; R823-T825 HydrophobicContact CB-CG2 4.1Å; R823-T825 PolarHBondContact O-N 2.85Å
826	T	86.6	Confident	83.8	Confident	73 Å²	73	57.5 Å²	57.5	45%	0.448	30%	0.298	S	S	.	.	S	Bend	trans	-136.7	154.7	-176.2	69.1	0	0	0	0	111.9	D828 R829 A830	T826-D828 VanDerWaalsContact C-N 3.29Å; T826-D828 PolarHBondContact O-N 2.9Å; T826-R829 PolarHBondContact O-N 2.86Å; T826-R829 VanDerWaalsContact O-N 3.15Å; T826-R829 WeakPolarHBondContact OG1-CB 3.41Å; T826-R829 PolarHBondContact OG1-N 3.12Å; T826-A830 PolarHBondContact O-N 2.88Å
827	E	87.2	Confident	83.7	Confident	58 Å²	58	58.8 Å²	58.8	27%	0.271	30%	0.304	S	S	.	.	H	α-helix	trans	-63.6	-38.2	-176.4	-160.5	-167.8	130.5	0	0	111.3	R829 A830 R831 S872 K873 L876	E827-R829 PolarHBondContact O-N 3.42Å; E827-A830 PolarHBondContact O-N 3.11Å; E827-R831 WeakPolarHBondContact O-CB 3.49Å; E827-R831 PolarHBondContact O-N 3.48Å; E827-R831 IonicContact OE1-CZ 3.73Å; E827-R831 IonicContact OE1-NE 2.68Å; E827-R831 IonicContact OE1-NH2 2.7Å; E827-R831 PolarHBondContact OE1-NH2 2.66Å; E827-S872 VanDerWaalsContact CG-CB 3.42Å; E827-S872 WeakPolarHBondContact CG-OG 3.48Å; E827-S872 PolarHBondContact OE1-OG 3.42Å; E827-K873 HydrophobicContact CG-CG 4.4Å; E827-K873 WeakPolarHBondContact OE2-CE 3.3Å; E827-K873 WeakPolarHBondContact OE2-CG 3.41Å; E827-L876 HydrophobicContact CB-CD1 3.85Å; E827-L876 HydrophobicContact CG-CD1 4.18Å
828	D	85.4	Confident	83.6	Confident	91 Å²	91	59.4 Å²	59.4	49%	0.487	31%	0.306	S	S	.	.	H	α-helix	trans	-66.9	-35.3	176.4	-58.5	-56.2	0	0	0	112.3	T826 R831 I832	T826-D828 VanDerWaalsContact C-N 3.29Å; T826-D828 PolarHBondContact O-N 2.9Å; D828-R831 PolarHBondContact O-N 2.8Å; D828-R831 IonicContact OD1-CZ 3.6Å; D828-R831 IonicContact OD1-NH1 3.74Å; D828-R831 PolarHBondContact OD1-NH1 3.14Å; D828-R831 IonicContact OD1-NH2 3.72Å; D828-I832 WeakPolarHBondContact O-CB 3.28Å; D828-I832 WeakPolarHBondContact O-CD1 3.17Å; D828-I832 WeakPolarHBondContact O-CG1 3.48Å; D828-I832 PolarHBondContact O-N 2.83Å
829	R	86.1	Confident	83.5	Confident	97 Å²	97	58.9 Å²	58.9	37%	0.366	30%	0.302	S	S	.	.	H	α-helix	trans	-64.2	-44.7	173.4	-164.4	177.5	-155.4	-172	9.4	111.1	D822 R823 L824 T826 E827 R831 W833	D822-R829 VanDerWaalsContact CB-NH1 3.26Å; D822-R829 IonicContact OD2-CZ 2.73Å; D822-R829 IonicContact OD2-NH1 3.33Å; D822-R829 IonicContact OD2-NH2 3.54Å; D822-R829 PolarHBondContact OD2-NH2 3.32Å; R823-R829 WeakPolarHBondContact O-CD 3.3Å; R823-R829 PolarHBondContact O-NH1 2.88Å; L824-R829 HydrophobicContact CD2-CG 4.26Å; T826-R829 PolarHBondContact O-N 2.86Å; T826-R829 VanDerWaalsContact O-N 3.15Å; T826-R829 WeakPolarHBondContact OG1-CB 3.41Å; T826-R829 PolarHBondContact OG1-N 3.12Å; E827-R829 PolarHBondContact O-N 3.42Å; R829-R831 VanDerWaalsContact C-N 3.34Å; R829-R831 PolarHBondContact O-N 2.78Å; R829-W833 WeakPolarHBondContact O-CB 3.48Å; R829-W833 PolarHBondContact O-N 3.07Å
830	A	88	Confident	83.9	Confident	0 Å²	0	57.7 Å²	57.7	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-63.7	-37.4	175.3	0	0	0	0	0	112.4	L824 T826 E827 L834 L875 L876	L824-A830 HydrophobicContact CB-CB 4.29Å; L824-A830 HydrophobicContact CD1-CB 4.09Å; T826-A830 PolarHBondContact O-N 2.88Å; E827-A830 PolarHBondContact O-N 3.11Å; A830-L834 WeakPolarHBondContact O-CB 3.48Å; A830-L834 WeakPolarHBondContact O-CG 3.44Å; A830-L834 PolarHBondContact O-N 3.21Å; A830-L875 HydrophobicContact CB-CB 4.47Å; A830-L876 HydrophobicContact CB-CD2 4.41Å; A830-L876 HydrophobicContact CB-CG 4.45Å
831	R	86.9	Confident	84.1	Confident	89 Å²	89	53.2 Å²	53.2	34%	0.336	27%	0.267	S	S	.	.	H	α-helix	trans	-68.9	-47	177.4	-162	-176.8	-57.5	126.9	5.1	112	E827 D828 R829 W833 L834 D835	E827-R831 WeakPolarHBondContact O-CB 3.49Å; E827-R831 PolarHBondContact O-N 3.48Å; E827-R831 IonicContact OE1-CZ 3.73Å; E827-R831 IonicContact OE1-NE 2.68Å; E827-R831 IonicContact OE1-NH2 2.7Å; E827-R831 PolarHBondContact OE1-NH2 2.66Å; D828-R831 PolarHBondContact O-N 2.8Å; D828-R831 IonicContact OD1-CZ 3.6Å; D828-R831 IonicContact OD1-NH1 3.74Å; D828-R831 PolarHBondContact OD1-NH1 3.14Å; D828-R831 IonicContact OD1-NH2 3.72Å; R829-R831 VanDerWaalsContact C-N 3.34Å; R829-R831 PolarHBondContact O-N 2.78Å; R831-W833 VanDerWaalsContact C-N 3.32Å; R831-W833 PolarHBondContact O-N 2.76Å; R831-L834 PolarHBondContact O-N 2.65Å; R831-D835 PolarHBondContact O-N 3.34Å
832	I	85	Confident	84	Confident	105 Å²	105	50.3 Å²	50.3	54%	0.538	25%	0.249	S	C	.	.	H	α-helix	trans	-60.4	-42.9	175.5	-69.4	163.7	0	0	0	110.4	D828 N836	D828-I832 WeakPolarHBondContact O-CB 3.28Å; D828-I832 WeakPolarHBondContact O-CD1 3.17Å; D828-I832 WeakPolarHBondContact O-CG1 3.48Å; D828-I832 PolarHBondContact O-N 2.83Å; I832-N836 VanDerWaalsContact O-CB 3.26Å; I832-N836 WeakPolarHBondContact O-CB 3.44Å; I832-N836 PolarHBondContact O-N 3.08Å; I832-N836 PolarHBondContact O-ND2 3.43Å
833	W	90	Very high	84.1	Confident	25 Å²	25	46.6 Å²	46.6	10%	0.095	23%	0.23	C	C	.	.	H	α-helix	trans	-59.8	-47.9	174.4	-175.7	98.9	0	0	0	111.9	V817 T821 L824 R829 R831 N836 Q837 F866 L867 L875	V817-W833 HydrophobicContact CB-CZ2 4.42Å; V817-W833 HydrophobicContact CG1-CZ2 4.32Å; V817-W833 HydrophobicContact CG2-CH2 3.64Å; V817-W833 HydrophobicContact CG2-CZ2 3.91Å; V817-W833 HydrophobicContact CG2-CZ3 4.15Å; T821-W833 VanDerWaalsContact CG2-NE1 3.29Å; T821-W833 PolarHBondContact OG1-NE1 3.4Å; L824-W833 HydrophobicContact CD2-CB 4.08Å; L824-W833 HydrophobicContact CD2-CG 4.21Å; R829-W833 WeakPolarHBondContact O-CB 3.48Å; R829-W833 PolarHBondContact O-N 3.07Å; R831-W833 VanDerWaalsContact C-N 3.32Å; R831-W833 PolarHBondContact O-N 2.76Å; W833-N836 PolarHBondContact O-N 3.36Å; W833-Q837 HydrophobicContact CD2-CG 3.95Å; W833-Q837 HydrophobicContact CE3-CG 4.05Å; W833-Q837 HydrophobicContact CH2-CG 3.86Å; W833-Q837 HydrophobicContact CZ2-CG 3.79Å; W833-Q837 HydrophobicContact CZ3-CG 4.01Å; W833-Q837 WeakPolarHBondContact O-CG 3.25Å; W833-Q837 PolarHBondContact O-N 3.37Å; W833-F866 AromaticContact CH2-CE1 3.96Å; W833-F866 HydrophobicContact CH2-CE1 3.96Å; W833-F866 HydrophobicContact CH2-CZ 4.26Å; W833-F866 HydrophobicContact CZ3-CE1 4.16Å; W833-F866 HydrophobicContact CZ3-CZ 4.24Å; W833-L867 HydrophobicContact CZ3-CD2 4.25Å; W833-L875 HydrophobicContact CE3-CD1 3.88Å; W833-L875 HydrophobicContact CZ3-CD1 3.96Å
834	L	88.1	Confident	84	Confident	2 Å²	2	44.1 Å²	44.1	1%	0.01	22%	0.224	C	C	.	.	H	α-helix	trans	-61.7	-47.5	178.7	-83.6	169.6	0	0	0	112.6	A830 R831 Q837 R838 L867 A870 S871 L875	A830-L834 WeakPolarHBondContact O-CB 3.48Å; A830-L834 WeakPolarHBondContact O-CG 3.44Å; A830-L834 PolarHBondContact O-N 3.21Å; R831-L834 PolarHBondContact O-N 2.65Å; L834-Q837 PolarHBondContact O-N 3.01Å; L834-R838 WeakPolarHBondContact O-CB 3.43Å; L834-R838 VanDerWaalsContact O-CG 3.23Å; L834-R838 WeakPolarHBondContact O-CG 3.48Å; L834-R838 PolarHBondContact O-N 2.94Å; L834-L867 HydrophobicContact CD2-CD2 4.05Å; L834-A870 HydrophobicContact CD2-CB 3.72Å; L834-S871 VanDerWaalsContact CD1-C 3.4Å; L834-L875 HydrophobicContact CD1-CD1 3.86Å; L834-L875 HydrophobicContact CD1-CG 4.48Å; L834-L875 HydrophobicContact CD2-CD1 3.92Å; L834-L875 HydrophobicContact CG-CD1 3.71Å
835	D	84.6	Confident	83.4	Confident	18 Å²	18	44.2 Å²	44.2	10%	0.096	23%	0.225	C	C	.	.	H	α-helix	trans	-68.3	-35.5	-179.7	-72.7	-31.6	0	0	0	111.6	S500 Y503 R831 R838 V839	S500-D835 WeakPolarHBondContact CB-OD1 3.46Å; S500-D835 PolarHBondContact OG-OD1 3.41Å; Y503-D835 HydrophobicContact CE2-CB 4.3Å; R831-D835 PolarHBondContact O-N 3.34Å; D835-R838 PolarHBondContact O-N 2.94Å; D835-R838 IonicContact OD1-NH1 3.15Å; D835-V839 WeakPolarHBondContact O-CG2 3.42Å; D835-V839 PolarHBondContact O-N 3.48Å
836	N	86.7	Confident	82.8	Confident	64 Å²	64	40 Å²	40	34%	0.342	20%	0.199	S	C	.	.	H	α-helix	trans	-61.8	-46.8	170.8	-75.9	-15.5	0	0	0	112.1	V291 I832 W833 V839 A840	V291-N836 WeakPolarHBondContact CG1-OD1 3.26Å; I832-N836 VanDerWaalsContact O-CB 3.26Å; I832-N836 WeakPolarHBondContact O-CB 3.44Å; I832-N836 PolarHBondContact O-N 3.08Å; I832-N836 PolarHBondContact O-ND2 3.43Å; W833-N836 PolarHBondContact O-N 3.36Å; N836-V839 PolarHBondContact O-N 2.91Å; N836-A840 WeakPolarHBondContact O-CB 3.38Å; N836-A840 PolarHBondContact O-N 3.48Å
837	Q	87.8	Confident	82	Confident	46 Å²	46	41.6 Å²	41.6	22%	0.215	20%	0.2	C	C	.	.	H	α-helix	trans	-65	-39.6	177.3	-71.1	-68.7	-30	0	0	111.9	W833 L834 A840 L841 L867	W833-Q837 HydrophobicContact CD2-CG 3.95Å; W833-Q837 HydrophobicContact CE3-CG 4.05Å; W833-Q837 HydrophobicContact CH2-CG 3.86Å; W833-Q837 HydrophobicContact CZ2-CG 3.79Å; W833-Q837 HydrophobicContact CZ3-CG 4.01Å; W833-Q837 WeakPolarHBondContact O-CG 3.25Å; W833-Q837 PolarHBondContact O-N 3.37Å; L834-Q837 PolarHBondContact O-N 3.01Å; Q837-A840 PolarHBondContact O-N 3.28Å; Q837-L841 WeakPolarHBondContact O-CB 3.45Å; Q837-L841 PolarHBondContact O-N 3.23Å; Q837-L867 HydrophobicContact CB-CD1 4.07Å; Q837-L867 HydrophobicContact CB-CD2 3.61Å; Q837-L867 HydrophobicContact CG-CD2 4.48Å
838	R	85.6	Confident	81.2	Confident	14 Å²	14	41.2 Å²	41.2	5%	0.053	20%	0.195	C	C	.	.	H	α-helix	trans	-62.3	-42.5	174.2	-76.1	168.4	175.3	150.7	7.7	112.3	S500 Y503 I507 L834 D835 L842 L867 A870	S500-R838 PolarHBondContact OG-NH1 3.16Å; Y503-R838 HydrophobicContact CD2-CB 4.41Å; I507-R838 HydrophobicContact CD1-CB 4.03Å; I507-R838 HydrophobicContact CD1-CG 3.98Å; L834-R838 WeakPolarHBondContact O-CB 3.43Å; L834-R838 VanDerWaalsContact O-CG 3.23Å; L834-R838 WeakPolarHBondContact O-CG 3.48Å; L834-R838 PolarHBondContact O-N 2.94Å; D835-R838 PolarHBondContact O-N 2.94Å; D835-R838 IonicContact OD1-NH1 3.15Å; R838-L842 WeakPolarHBondContact O-CB 3.49Å; R838-L842 WeakPolarHBondContact O-CG 3.29Å; R838-L842 PolarHBondContact O-N 3.43Å; R838-L867 HydrophobicContact CG-CB 4.4Å; R838-L867 VanDerWaalsContact CZ-O 3.31Å; R838-L867 PolarHBondContact NE-O 3.18Å; R838-L867 PolarHBondContact NH2-O 3.35Å; R838-A870 PolarHBondContact NH2-O 3.36Å
839	V	79.8	Confident	80.1	Confident	4 Å²	4	40.1 Å²	40.1	2%	0.024	19%	0.188	C	C	.	.	H	α-helix	trans	-70.4	-42.2	177.2	172.1	0	0	0	0	111.4	V291 Y503 D835 N836 L841 L842 C843	V291-V839 HydrophobicContact CG2-CB 4.22Å; V291-V839 HydrophobicContact CG2-CG1 3.92Å; V291-V839 HydrophobicContact CG2-CG2 3.85Å; Y503-V839 HydrophobicContact CD1-CG2 4.25Å; Y503-V839 HydrophobicContact CD2-CG2 4.16Å; Y503-V839 HydrophobicContact CE1-CG2 3.73Å; Y503-V839 HydrophobicContact CE2-CG2 3.62Å; Y503-V839 HydrophobicContact CG-CG2 4.46Å; D835-V839 WeakPolarHBondContact O-CG2 3.42Å; D835-V839 PolarHBondContact O-N 3.48Å; N836-V839 PolarHBondContact O-N 2.91Å; V839-L841 VanDerWaalsContact C-N 3.33Å; V839-L841 PolarHBondContact O-N 3.29Å; V839-L842 PolarHBondContact O-N 2.8Å; V839-C843 PolarHBondContact O-N 3.13Å; V839-C843 PolarHBondContact O-SG 2.92Å
840	A	82.7	Confident	79.2	Confident	34 Å²	34	39.9 Å²	39.9	28%	0.281	19%	0.194	S	C	.	.	H	α-helix	trans	-58.7	-45.3	174	0	0	0	0	0	111.4	N836 Q837 C843 H844	N836-A840 WeakPolarHBondContact O-CB 3.38Å; N836-A840 PolarHBondContact O-N 3.48Å; Q837-A840 PolarHBondContact O-N 3.28Å; A840-C843 WeakPolarHBondContact O-CB 3.45Å; A840-C843 PolarHBondContact O-N 2.9Å; A840-H844 WeakPolarHBondContact O-CB 3.09Å; A840-H844 PolarHBondContact O-N 2.79Å
841	L	79.7	Confident	78.2	Confident	13 Å²	13	42.8 Å²	42.8	7%	0.068	21%	0.21	C	C	.	.	H	α-helix	trans	-61.8	-42.6	175.1	-172.2	71.1	0	0	0	112.3	I507 Q837 V839 H844 L845 L864 L867	I507-L841 HydrophobicContact CD1-CD2 4.36Å; I507-L841 HydrophobicContact CG2-CD2 4.49Å; Q837-L841 WeakPolarHBondContact O-CB 3.45Å; Q837-L841 PolarHBondContact O-N 3.23Å; V839-L841 VanDerWaalsContact C-N 3.33Å; V839-L841 PolarHBondContact O-N 3.29Å; L841-H844 WeakPolarHBondContact O-CB 3.23Å; L841-H844 PolarHBondContact O-N 2.77Å; L841-L845 HydrophobicContact CG-CD1 4.32Å; L841-L845 WeakPolarHBondContact O-CB 3.17Å; L841-L845 VanDerWaalsContact O-CG 3.31Å; L841-L845 WeakPolarHBondContact O-CG 3.13Å; L841-L845 PolarHBondContact O-N 3.44Å; L841-L864 HydrophobicContact CD1-CD2 4.09Å; L841-L864 HydrophobicContact CD1-CG 4.31Å; L841-L864 HydrophobicContact CD2-CD2 3.38Å; L841-L864 HydrophobicContact CD2-CG 4.1Å; L841-L864 HydrophobicContact CG-CD2 3.84Å; L841-L867 HydrophobicContact CB-CD1 4.35Å; L841-L867 HydrophobicContact CD2-CB 4.16Å; L841-L867 HydrophobicContact CD2-CD1 3.73Å; L841-L867 HydrophobicContact CG-CD1 4.49Å
842	L	73.2	Confident	76.8	Confident	1 Å²	1	42 Å²	42	1%	0.005	22%	0.216	C	C	.	.	H	α-helix	trans	-63.2	-42.8	174	-80.7	164.7	0	0	0	111.9	F339 Y503 T506 I507 I510 R838 V839 H844 V846	F339-L842 HydrophobicContact CE1-CD1 4.12Å; Y503-L842 HydrophobicContact CD1-CD1 3.76Å; Y503-L842 HydrophobicContact CG-CD1 4.08Å; T506-L842 HydrophobicContact CG2-CD2 3.75Å; I507-L842 HydrophobicContact CD1-CD1 4.25Å; I507-L842 HydrophobicContact CD1-CG 4.14Å; I507-L842 HydrophobicContact CG1-CD1 4.07Å; I507-L842 HydrophobicContact CG1-CD2 3.68Å; I507-L842 HydrophobicContact CG1-CG 3.69Å; I510-L842 HydrophobicContact CD1-CD2 4.1Å; R838-L842 WeakPolarHBondContact O-CB 3.49Å; R838-L842 WeakPolarHBondContact O-CG 3.29Å; R838-L842 PolarHBondContact O-N 3.43Å; V839-L842 PolarHBondContact O-N 2.8Å; L842-H844 VanDerWaalsContact C-N 3.28Å; L842-H844 PolarHBondContact O-N 3.04Å; L842-V846 WeakPolarHBondContact O-CB 3.31Å; L842-V846 WeakPolarHBondContact O-CG2 3.44Å; L842-V846 PolarHBondContact O-N 3.2Å
843	C	77.3	Confident	75.6	Confident	13 Å²	13	40.6 Å²	40.6	9%	0.088	21%	0.209	C	C	.	.	H	α-helix	trans	-59.1	-41.9	173.6	-63.2	0	0	0	0	111.5	L287 V839 A840 K847	L287-C843 VanDerWaalsContact CB-SG 3.59Å; L287-C843 HydrophobicContact CD1-CB 4.07Å; L287-C843 WeakPolarHBondContact CD1-SG 3.39Å; V839-C843 PolarHBondContact O-N 3.13Å; V839-C843 PolarHBondContact O-SG 2.92Å; A840-C843 WeakPolarHBondContact O-CB 3.45Å; A840-C843 PolarHBondContact O-N 2.9Å; C843-K847 WeakPolarHBondContact O-CG 3.34Å; C843-K847 PolarHBondContact O-N 2.86Å
844	H	76.5	Confident	74.4	Confident	77 Å²	77	40.8 Å²	40.8	36%	0.356	21%	0.21	S	C	.	.	H	α-helix	trans	-68.9	-49.2	-178.6	-165.4	48.6	0	0	0	111.9	A840 L841 L842 V846 K847 R848	A840-H844 WeakPolarHBondContact O-CB 3.09Å; A840-H844 PolarHBondContact O-N 2.79Å; L841-H844 WeakPolarHBondContact O-CB 3.23Å; L841-H844 PolarHBondContact O-N 2.77Å; L842-H844 VanDerWaalsContact C-N 3.28Å; L842-H844 PolarHBondContact O-N 3.04Å; H844-V846 VanDerWaalsContact C-N 3.32Å; H844-V846 PolarHBondContact O-N 2.9Å; H844-K847 PolarHBondContact O-N 2.73Å; H844-R848 PolarHBondContact CD2-NH1 3.02Å; H844-R848 PolarHBondContact NE2-NH2 2.89Å; H844-R848 VanDerWaalsContact O-CB 3.31Å; H844-R848 WeakPolarHBondContact O-CB 3.39Å; H844-R848 WeakPolarHBondContact O-CG 3.13Å; H844-R848 PolarHBondContact O-N 2.73Å
845	L	70.9	Confident	73.2	Confident	4 Å²	4	44.9 Å²	44.9	2%	0.021	23%	0.229	C	C	.	.	H	α-helix	trans	-55.4	-44.6	172.2	-76.9	171.2	0	0	0	111.7	I510 F514 L841 R848 M849 I856 L864	I510-L845 HydrophobicContact CB-CD1 4.38Å; I510-L845 HydrophobicContact CD1-CD1 4.16Å; I510-L845 HydrophobicContact CG2-CD1 3.82Å; I510-L845 HydrophobicContact CG2-CD2 3.93Å; I510-L845 HydrophobicContact CG2-CG 4.33Å; F514-L845 HydrophobicContact CE2-CD2 4.08Å; L841-L845 HydrophobicContact CG-CD1 4.32Å; L841-L845 WeakPolarHBondContact O-CB 3.17Å; L841-L845 VanDerWaalsContact O-CG 3.31Å; L841-L845 WeakPolarHBondContact O-CG 3.13Å; L841-L845 PolarHBondContact O-N 3.44Å; L845-R848 CarbonylContact O-C 3.57Å; L845-R848 PolarHBondContact O-N 3.26Å; L845-R848 VanDerWaalsContact O-N 3.16Å; L845-M849 WeakPolarHBondContact O-CG 3.49Å; L845-M849 PolarHBondContact O-N 2.74Å; L845-I856 HydrophobicContact CD2-CD1 4.28Å; L845-L864 HydrophobicContact CD1-CD2 3.69Å; L845-L864 HydrophobicContact CD2-CD1 4.31Å; L845-L864 HydrophobicContact CD2-CD2 4.3Å; L845-L864 HydrophobicContact CG-CD2 4.33Å
846	V	70.9	Confident	72.4	Confident	12 Å²	12	45.6 Å²	45.6	7%	0.073	23%	0.233	C	C	.	.	H	α-helix	trans	-65.8	-46.1	-179.6	169.9	0	0	0	0	111.4	L275 L342 L842 H844 R848 M849 L850	L275-V846 HydrophobicContact CD2-CG1 4.47Å; L342-V846 HydrophobicContact CD1-CB 4.38Å; L342-V846 HydrophobicContact CD1-CG1 3.87Å; L342-V846 HydrophobicContact CD1-CG2 3.52Å; L342-V846 HydrophobicContact CD2-CG2 3.65Å; L342-V846 HydrophobicContact CG-CG2 4.13Å; L842-V846 WeakPolarHBondContact O-CB 3.31Å; L842-V846 WeakPolarHBondContact O-CG2 3.44Å; L842-V846 PolarHBondContact O-N 3.2Å; H844-V846 VanDerWaalsContact C-N 3.32Å; H844-V846 PolarHBondContact O-N 2.9Å; V846-R848 PolarHBondContact O-N 2.91Å; V846-M849 PolarHBondContact O-N 3.18Å; V846-L850 WeakPolarHBondContact O-CG 3.26Å; V846-L850 PolarHBondContact O-N 3.38Å
847	K	70.6	Confident	71.8	Confident	107 Å²	107	43.4 Å²	43.4	47%	0.465	22%	0.221	S	C	.	.	H	α-helix	trans	-54.8	-39	171.3	-74.4	174.4	177	-177.5	0	111.9	I273 C843 H844 L850	I273-K847 HydrophobicContact CD1-CG 3.95Å; C843-K847 WeakPolarHBondContact O-CG 3.34Å; C843-K847 PolarHBondContact O-N 2.86Å; H844-K847 PolarHBondContact O-N 2.73Å; K847-L850 WeakPolarHBondContact O-CB 3.44Å
848	R	69.8	Low	71.4	Confident	49 Å²	49	41.5 Å²	41.5	19%	0.185	21%	0.212	C	C	.	.	H	α-helix	trans	-81	-30.8	-176.2	-83.8	164.8	159.3	-167	1.8	114.5	H844 L845 V846 L850 N851 Y854 E860	H844-R848 PolarHBondContact CD2-NH1 3.02Å; H844-R848 PolarHBondContact NE2-NH2 2.89Å; H844-R848 VanDerWaalsContact O-CB 3.31Å; H844-R848 WeakPolarHBondContact O-CB 3.39Å; H844-R848 WeakPolarHBondContact O-CG 3.13Å; H844-R848 PolarHBondContact O-N 2.73Å; L845-R848 CarbonylContact O-C 3.57Å; L845-R848 PolarHBondContact O-N 3.26Å; L845-R848 VanDerWaalsContact O-N 3.16Å; V846-R848 PolarHBondContact O-N 2.91Å; R848-L850 PolarHBondContact O-N 3.32Å; R848-N851 PolarHBondContact O-N 2.94Å; R848-N851 VanDerWaalsContact O-O 3.08Å; R848-Y854 HydrophobicContact CB-CD1 3.52Å; R848-Y854 HydrophobicContact CB-CD2 4.49Å; R848-Y854 HydrophobicContact CB-CE1 3.67Å; R848-Y854 HydrophobicContact CB-CG 3.94Å; R848-Y854 VanDerWaalsContact CD-CZ 3.44Å; R848-Y854 HydrophobicContact CG-CD1 3.9Å; R848-Y854 HydrophobicContact CG-CD2 3.96Å; R848-Y854 HydrophobicContact CG-CE1 3.97Å; R848-Y854 HydrophobicContact CG-CE2 4.07Å; R848-Y854 HydrophobicContact CG-CG 3.87Å; R848-Y854 VanDerWaalsContact NE-CE2 3.25Å; R848-Y854 PolarHBondContact NH1-OH 3.4Å; R848-E860 IonicContact CZ-OE1 3.35Å; R848-E860 IonicContact CZ-OE2 2.72Å; R848-E860 IonicContact NH1-OE1 2.65Å; R848-E860 PolarHBondContact NH1-OE1 2.85Å; R848-E860 IonicContact NH1-OE2 3.69Å; R848-E860 PolarHBondContact NH1-OE2 3.01Å; R848-E860 IonicContact NH2-OE1 3.49Å; R848-E860 PolarHBondContact NH2-OE1 2.85Å; R848-E860 IonicContact NH2-OE2 2.73Å
849	M	63	Low	71.4	Confident	69 Å²	69	42.6 Å²	42.6	34%	0.34	22%	0.218	S	C	.	.	H	α-helix	trans	-65.7	-25.1	171.9	-74.5	-175	74.6	0	0	112.5	L346 I510 F514 L845 V846 N851	L346-M849 HydrophobicContact CD2-CE 3.51Å; L346-M849 HydrophobicContact CD2-SD 4.12Å; I510-M849 HydrophobicContact CD1-SD 4.31Å; I510-M849 HydrophobicContact CG1-SD 4.17Å; I510-M849 HydrophobicContact CG2-SD 4.23Å; F514-M849 HydrophobicContact CE2-CG 4.16Å; L845-M849 WeakPolarHBondContact O-CG 3.49Å; L845-M849 PolarHBondContact O-N 2.74Å; V846-M849 PolarHBondContact O-N 3.18Å; M849-N851 VanDerWaalsContact C-N 3.29Å
850	L	66.5	Low	71.3	Confident	91 Å²	91	43.7 Å²	43.7	48%	0.476	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-20.2	170.3	-61.9	166.9	0	0	0	113.1	I273 L275 V846 K847 R848 P852	I273-L850 HydrophobicContact CG2-CD1 4.35Å; L275-L850 HydrophobicContact CD2-CD1 3.56Å; L275-L850 HydrophobicContact CD2-CD2 3.95Å; L275-L850 HydrophobicContact CD2-CG 4.22Å; V846-L850 WeakPolarHBondContact O-CG 3.26Å; V846-L850 PolarHBondContact O-N 3.38Å; K847-L850 WeakPolarHBondContact O-CB 3.44Å; R848-L850 PolarHBondContact O-N 3.32Å; L850-P852 WeakPolarHBondContact O-CD 3.44Å
851	N	67.7	Low	71.1	Confident	62 Å²	62	44.5 Å²	44.5	33%	0.332	22%	0.221	S	C	.	.			trans	-90	111.1	173.3	-172.8	-14.7	0	0	0	109.7	R848 M849 L853 Y854	R848-N851 PolarHBondContact O-N 2.94Å; R848-N851 VanDerWaalsContact O-O 3.08Å; M849-N851 VanDerWaalsContact C-N 3.29Å; N851-L853 PolarHBondContact O-N 2.79Å; N851-L853 WeakPolarHBondContact OD1-CA 3.28Å; N851-L853 WeakPolarHBondContact OD1-CB 3.31Å; N851-L853 PolarHBondContact OD1-N 2.97Å; N851-Y854 PolarHBondContact O-N 3.01Å
852	P	56.8	Low	71.3	Confident	73 Å²	73	44 Å²	44	47%	0.474	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-10.7	179.4	30.5	-35.9	0	0	0	113.7	R523 L850	R523-P852 PolarHBondContact NH1-O 2.79Å; L850-P852 WeakPolarHBondContact O-CD 3.44Å
853	L	59.9	Low	71.9	Confident	74 Å²	74	47.9 Å²	47.9	39%	0.387	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.4	-3.5	-178.5	-57.5	-177.8	0	0	0	114.7	W24 L520 N851	W24-L853 HydrophobicContact CE3-CD1 4.26Å; W24-L853 HydrophobicContact CZ3-CD1 4.15Å; L520-L853 HydrophobicContact CD2-CB 4.35Å; L520-L853 HydrophobicContact CD2-CD2 3.82Å; N851-L853 PolarHBondContact O-N 2.79Å; N851-L853 WeakPolarHBondContact OD1-CA 3.28Å; N851-L853 WeakPolarHBondContact OD1-CB 3.31Å; N851-L853 PolarHBondContact OD1-N 2.97Å
854	Y	63.6	Low	72.1	Confident	30 Å²	30	47.5 Å²	47.5	12%	0.118	23%	0.229	C	C	.	.			trans	-81.3	134.5	179.5	166.3	-95.7	0	0	0	112.4	F514 R848 N851 I856 E860	F514-Y854 HydrophobicContact CE1-CD1 4.42Å; F514-Y854 HydrophobicContact CE1-CE1 4.17Å; F514-Y854 AromaticContact CZ-CD1 3.98Å; F514-Y854 HydrophobicContact CZ-CD1 3.98Å; F514-Y854 AromaticContact CZ-CE1 3.7Å; F514-Y854 HydrophobicContact CZ-CE1 3.7Å; R848-Y854 HydrophobicContact CB-CD1 3.52Å; R848-Y854 HydrophobicContact CB-CD2 4.49Å; R848-Y854 HydrophobicContact CB-CE1 3.67Å; R848-Y854 HydrophobicContact CB-CG 3.94Å; R848-Y854 VanDerWaalsContact CD-CZ 3.44Å; R848-Y854 HydrophobicContact CG-CD1 3.9Å; R848-Y854 HydrophobicContact CG-CD2 3.96Å; R848-Y854 HydrophobicContact CG-CE1 3.97Å; R848-Y854 HydrophobicContact CG-CE2 4.07Å; R848-Y854 HydrophobicContact CG-CG 3.87Å; R848-Y854 VanDerWaalsContact NE-CE2 3.25Å; R848-Y854 PolarHBondContact NH1-OH 3.4Å; N851-Y854 PolarHBondContact O-N 3.01Å; Y854-I856 HydrophobicContact CE1-CG1 3.77Å; Y854-I856 WeakPolarHBondContact OH-CA 3.44Å; Y854-I856 VanDerWaalsContact OH-CG1 3.27Å; Y854-I856 WeakPolarHBondContact OH-CG1 3.48Å; Y854-E860 PolarHBondContact OH-OE2 2.99Å
855	E	63.3	Low	72.3	Confident	87 Å²	87	45.5 Å²	45.5	41%	0.407	22%	0.221	S	C	.	.			trans	-112.6	140.9	172	-62	-179.2	120.9	0	0	109.1	L520	L520-E855 VanDerWaalsContact CB-CD 3.49Å; L520-E855 HydrophobicContact CB-CG 3.73Å; L520-E855 WeakPolarHBondContact CB-OE1 3.5Å; L520-E855 HydrophobicContact CD1-CG 3.56Å; L520-E855 HydrophobicContact CG-CG 4.24Å
856	I	68.6	Low	73.1	Confident	34 Å²	34	45.5 Å²	45.5	17%	0.174	22%	0.221	C	C	.	.			trans	-73.5	124.5	169	-80.7	175.9	0	0	0	108.3	F514 L845 Y854 E860 H861 L864	F514-I856 HydrophobicContact CB-CD1 4.23Å; F514-I856 HydrophobicContact CD1-CB 4.32Å; F514-I856 HydrophobicContact CD1-CD1 3.47Å; F514-I856 VanDerWaalsContact CD1-CD1 3.47Å; F514-I856 HydrophobicContact CD1-CG1 3.83Å; F514-I856 HydrophobicContact CD2-CD1 3.48Å; F514-I856 VanDerWaalsContact CD2-CD1 3.48Å; F514-I856 HydrophobicContact CD2-CG1 4.43Å; F514-I856 HydrophobicContact CE1-CB 4.27Å; F514-I856 HydrophobicContact CE1-CD1 3.65Å; F514-I856 HydrophobicContact CE1-CG1 3.58Å; F514-I856 HydrophobicContact CE2-CD1 3.66Å; F514-I856 HydrophobicContact CE2-CG1 4.21Å; F514-I856 HydrophobicContact CG-CD1 3.39Å; F514-I856 HydrophobicContact CG-CG1 4.26Å; F514-I856 HydrophobicContact CZ-CD1 3.75Å; F514-I856 HydrophobicContact CZ-CG1 3.8Å; L845-I856 HydrophobicContact CD2-CD1 4.28Å; Y854-I856 HydrophobicContact CE1-CG1 3.77Å; Y854-I856 WeakPolarHBondContact OH-CA 3.44Å; Y854-I856 VanDerWaalsContact OH-CG1 3.27Å; Y854-I856 WeakPolarHBondContact OH-CG1 3.48Å; I856-E860 HydrophobicContact CG2-CB 4.22Å; I856-H861 HydrophobicContact CG2-CB 3.74Å; I856-L864 HydrophobicContact CD1-CD1 3.65Å
857	D	74.5	Confident	73.9	Confident	18 Å²	18	45 Å²	45	10%	0.096	22%	0.218	C	C	.	.			trans	-75.7	166.4	169	77	36.5	0	0	0	111.5	D711 E859 E860 H861	D711-D857 WeakPolarHBondContact OD1-CA 3.35Å; D711-D857 WeakPolarHBondContact OD1-CB 3.29Å; D857-E859 VanDerWaalsContact C-N 3.33Å; D857-E859 PolarHBondContact O-N 2.83Å; D857-E859 WeakPolarHBondContact OD1-CA 3.38Å; D857-E859 WeakPolarHBondContact OD1-CB 3.32Å; D857-E859 PolarHBondContact OD1-N 2.92Å; D857-E860 PolarHBondContact O-N 2.96Å; D857-E860 WeakPolarHBondContact OD1-CB 3.24Å; D857-E860 VanDerWaalsContact OD1-CG 3.28Å; D857-E860 WeakPolarHBondContact OD1-CG 3.33Å; D857-E860 PolarHBondContact OD1-N 3.43Å; D857-H861 PolarHBondContact O-N 3.42Å
858	V	78.6	Confident	74.4	Confident	6 Å²	6	40.7 Å²	40.7	4%	0.036	20%	0.2	C	C	.	.	H	α-helix	trans	-63.1	-38.3	-177.5	-176.9	0	0	0	0	112.2	F676 D711 R715 E860 H861 Y862	F676-V858 HydrophobicContact CE1-CG1 3.78Å; F676-V858 HydrophobicContact CZ-CG1 3.91Å; D711-V858 WeakPolarHBondContact OD1-CG2 3.31Å; D711-V858 PolarHBondContact OD1-N 2.87Å; D711-V858 VanDerWaalsContact OD1-N 3.07Å; D711-V858 WeakPolarHBondContact OD2-CG2 3.11Å; R715-V858 HydrophobicContact CB-CG1 4.48Å; R715-V858 HydrophobicContact CB-CG2 3.88Å; R715-V858 HydrophobicContact CG-CG1 4.16Å; R715-V858 HydrophobicContact CG-CG2 3.69Å; R715-V858 VanDerWaalsContact CZ-CG2 3.48Å; V858-E860 VanDerWaalsContact C-N 3.34Å; V858-E860 PolarHBondContact O-N 3.41Å; V858-H861 PolarHBondContact O-N 2.79Å; V858-Y862 HydrophobicContact CG1-CD2 3.85Å; V858-Y862 HydrophobicContact CG1-CE2 4.01Å; V858-Y862 WeakPolarHBondContact O-CD2 3.03Å; V858-Y862 PolarHBondContact O-N 3.33Å
859	E	84.6	Confident	75	Confident	36 Å²	36	43.4 Å²	43.4	17%	0.168	22%	0.215	C	C	.	.	H	α-helix	trans	-61.1	-45.5	179.2	176.9	176.1	167.2	0	0	110.7	F676 M713 F815 W816 D857 Y862 R863	F676-E859 HydrophobicContact CE2-CB 4.37Å; F676-E859 HydrophobicContact CE2-CG 4.44Å; F676-E859 HydrophobicContact CZ-CB 4.33Å; M713-E859 HydrophobicContact CB-CB 4.29Å; M713-E859 WeakPolarHBondContact CE-OE2 3.39Å; M713-E859 HydrophobicContact CG-CB 3.87Å; M713-E859 HydrophobicContact CG-CG 4.3Å; M713-E859 WeakPolarHBondContact CG-OE2 3.39Å; F815-E859 HydrophobicContact CE1-CG 4.46Å; W816-E859 HydrophobicContact CH2-CG 3.57Å; W816-E859 WeakPolarHBondContact CH2-OE1 3.38Å; W816-E859 HydrophobicContact CZ2-CG 4.09Å; D857-E859 VanDerWaalsContact C-N 3.33Å; D857-E859 PolarHBondContact O-N 2.83Å; D857-E859 WeakPolarHBondContact OD1-CA 3.38Å; D857-E859 WeakPolarHBondContact OD1-CB 3.32Å; D857-E859 PolarHBondContact OD1-N 2.92Å; E859-Y862 PolarHBondContact O-N 3.17Å; E859-R863 WeakPolarHBondContact O-CB 3.35Å; E859-R863 PolarHBondContact O-N 3.35Å
860	E	79.2	Confident	76.1	Confident	28 Å²	28	40.6 Å²	40.6	13%	0.131	20%	0.202	C	C	.	.	H	α-helix	trans	-68.2	-37.5	179.5	-67.4	175	155.7	0	0	112.1	R848 Y854 I856 D857 V858 R863 L864	R848-E860 IonicContact CZ-OE1 3.35Å; R848-E860 IonicContact CZ-OE2 2.72Å; R848-E860 IonicContact NH1-OE1 2.65Å; R848-E860 PolarHBondContact NH1-OE1 2.85Å; R848-E860 IonicContact NH1-OE2 3.69Å; R848-E860 PolarHBondContact NH1-OE2 3.01Å; R848-E860 IonicContact NH2-OE1 3.49Å; R848-E860 PolarHBondContact NH2-OE1 2.85Å; R848-E860 IonicContact NH2-OE2 2.73Å; Y854-E860 PolarHBondContact OH-OE2 2.99Å; I856-E860 HydrophobicContact CG2-CB 4.22Å; D857-E860 PolarHBondContact O-N 2.96Å; D857-E860 WeakPolarHBondContact OD1-CB 3.24Å; D857-E860 VanDerWaalsContact OD1-CG 3.28Å; D857-E860 WeakPolarHBondContact OD1-CG 3.33Å; D857-E860 PolarHBondContact OD1-N 3.43Å; V858-E860 VanDerWaalsContact C-N 3.34Å; V858-E860 PolarHBondContact O-N 3.41Å; E860-R863 PolarHBondContact O-N 3.23Å; E860-L864 WeakPolarHBondContact O-CB 3.26Å; E860-L864 WeakPolarHBondContact O-CD1 3.41Å; E860-L864 VanDerWaalsContact O-CG 3.29Å; E860-L864 WeakPolarHBondContact O-CG 3.21Å; E860-L864 PolarHBondContact O-N 3.08Å
861	H	77.5	Confident	77.2	Confident	51 Å²	51	38.6 Å²	38.6	24%	0.236	20%	0.196	C	C	.	.	H	α-helix	trans	-61.5	-44.8	171.2	-169.4	95.9	0	0	0	111.8	I856 D857 V858 L864 L865	I856-H861 HydrophobicContact CG2-CB 3.74Å; D857-H861 PolarHBondContact O-N 3.42Å; V858-H861 PolarHBondContact O-N 2.79Å; H861-L864 WeakPolarHBondContact O-CB 3.32Å; H861-L864 PolarHBondContact O-N 3.21Å; H861-L865 WeakPolarHBondContact O-CG 3.48Å; H861-L865 PolarHBondContact O-N 3.3Å
862	Y	84.3	Confident	78.2	Confident	2 Å²	2	36.3 Å²	36.3	1%	0.008	19%	0.185	C	C	.	.	H	α-helix	trans	-71.3	-30.1	177.1	-87.1	-87.4	0	0	0	112.9	P590 F591 F676 I679 Q680 T683 V858 E859 L864 L865 F866	P590-Y862 HydrophobicContact CB-CE2 3.73Å; F591-Y862 WeakPolarHBondContact CE1-OH 3.44Å; F676-Y862 HydrophobicContact CE2-CG 4.24Å; F676-Y862 AromaticContact CZ-CD2 3.86Å; F676-Y862 HydrophobicContact CZ-CD2 3.86Å; F676-Y862 HydrophobicContact CZ-CG 4.01Å; I679-Y862 HydrophobicContact CG2-CD1 4.18Å; Q680-Y862 HydrophobicContact CG-CD1 4.49Å; Q680-Y862 HydrophobicContact CG-CD2 4.2Å; Q680-Y862 HydrophobicContact CG-CE1 4.01Å; Q680-Y862 HydrophobicContact CG-CE2 3.68Å; T683-Y862 HydrophobicContact CG2-CE1 4.27Å; V858-Y862 HydrophobicContact CG1-CD2 3.85Å; V858-Y862 HydrophobicContact CG1-CE2 4.01Å; V858-Y862 WeakPolarHBondContact O-CD2 3.03Å; V858-Y862 PolarHBondContact O-N 3.33Å; E859-Y862 PolarHBondContact O-N 3.17Å; Y862-L864 VanDerWaalsContact C-N 3.35Å; Y862-L865 HydrophobicContact CD1-CD1 4.45Å; Y862-L865 HydrophobicContact CE1-CD1 4.46Å; Y862-L865 PolarHBondContact O-N 3.47Å; Y862-F866 VanDerWaalsContact O-CB 3.31Å; Y862-F866 WeakPolarHBondContact O-CB 3.17Å; Y862-F866 PolarHBondContact O-N 3.26Å
863	R	86.1	Confident	79.8	Confident	82 Å²	82	39.4 Å²	39.4	31%	0.309	19%	0.191	S	C	.	.	H	α-helix	trans	-64.4	-38.7	169.8	-163.5	178.2	177.1	171.6	-2.3	111.9	W816 E859 E860 L867	W816-R863 HydrophobicContact CD2-CG 4.23Å; W816-R863 HydrophobicContact CE3-CG 4.16Å; W816-R863 HydrophobicContact CH2-CB 3.66Å; W816-R863 HydrophobicContact CH2-CG 3.72Å; W816-R863 HydrophobicContact CZ2-CB 3.46Å; W816-R863 VanDerWaalsContact CZ2-CB 3.46Å; W816-R863 HydrophobicContact CZ2-CG 3.77Å; W816-R863 HydrophobicContact CZ3-CB 4.38Å; W816-R863 HydrophobicContact CZ3-CG 3.93Å; E859-R863 WeakPolarHBondContact O-CB 3.35Å; E859-R863 PolarHBondContact O-N 3.35Å; E860-R863 PolarHBondContact O-N 3.23Å; R863-L867 HydrophobicContact CG-CD1 4.03Å; R863-L867 WeakPolarHBondContact O-CB 3.49Å; R863-L867 WeakPolarHBondContact O-CG 3.31Å; R863-L867 PolarHBondContact O-N 2.67Å
864	L	80.5	Confident	81.3	Confident	5 Å²	5	36.9 Å²	36.9	3%	0.026	18%	0.18	C	C	.	.	H	α-helix	trans	-63	-49.6	173.8	-77.9	157.5	0	0	0	111.7	I507 L841 L845 I856 E860 H861 Y862 F866 L867 L868	I507-L864 HydrophobicContact CG2-CD2 3.71Å; L841-L864 HydrophobicContact CD1-CD2 4.09Å; L841-L864 HydrophobicContact CD1-CG 4.31Å; L841-L864 HydrophobicContact CD2-CD2 3.38Å; L841-L864 HydrophobicContact CD2-CG 4.1Å; L841-L864 HydrophobicContact CG-CD2 3.84Å; L845-L864 HydrophobicContact CD1-CD2 3.69Å; L845-L864 HydrophobicContact CD2-CD1 4.31Å; L845-L864 HydrophobicContact CD2-CD2 4.3Å; L845-L864 HydrophobicContact CG-CD2 4.33Å; I856-L864 HydrophobicContact CD1-CD1 3.65Å; E860-L864 WeakPolarHBondContact O-CB 3.26Å; E860-L864 WeakPolarHBondContact O-CD1 3.41Å; E860-L864 VanDerWaalsContact O-CG 3.29Å; E860-L864 WeakPolarHBondContact O-CG 3.21Å; E860-L864 PolarHBondContact O-N 3.08Å; H861-L864 WeakPolarHBondContact O-CB 3.32Å; H861-L864 PolarHBondContact O-N 3.21Å; Y862-L864 VanDerWaalsContact C-N 3.35Å; L864-F866 PolarHBondContact O-N 2.91Å; L864-L867 PolarHBondContact O-N 2.92Å; L864-L868 WeakPolarHBondContact O-CB 3.33Å; L864-L868 WeakPolarHBondContact O-CG 3.47Å; L864-L868 PolarHBondContact O-N 2.76Å
865	L	81.2	Confident	82.6	Confident	36 Å²	36	35.5 Å²	35.5	19%	0.188	17%	0.174	C	C	.	.	H	α-helix	trans	-60.6	-43.7	175.7	-66.8	176.4	0	0	0	111.7	P590 H861 Y862 L868 H869	P590-L865 HydrophobicContact CB-CD1 4.46Å; P590-L865 HydrophobicContact CG-CD1 4.23Å; H861-L865 WeakPolarHBondContact O-CG 3.48Å; H861-L865 PolarHBondContact O-N 3.3Å; Y862-L865 HydrophobicContact CD1-CD1 4.45Å; Y862-L865 HydrophobicContact CE1-CD1 4.46Å; Y862-L865 PolarHBondContact O-N 3.47Å; L865-L868 PolarHBondContact O-N 2.9Å; L865-H869 WeakPolarHBondContact O-CB 3.27Å; L865-H869 PolarHBondContact O-CD2 2.83Å; L865-H869 PolarHBondContact O-N 3.17Å
866	F	88.5	Confident	83.9	Confident	4 Å²	4	32.6 Å²	32.6	2%	0.018	16%	0.161	C	C	.	.	H	α-helix	trans	-59.4	-50.6	175	166.4	-112.4	0	0	0	112	Q812 W816 V817 W833 Y862 L864 L868 H869 A870 L875	Q812-F866 HydrophobicContact CB-CD2 3.74Å; Q812-F866 HydrophobicContact CB-CE2 3.98Å; Q812-F866 HydrophobicContact CG-CD2 4.23Å; W816-F866 HydrophobicContact CB-CD1 4.03Å; W816-F866 HydrophobicContact CB-CE1 3.5Å; W816-F866 VanDerWaalsContact CB-CE1 3.5Å; W816-F866 HydrophobicContact CB-CZ 3.92Å; W816-F866 AromaticContact CD1-CD1 3.37Å; W816-F866 AromaticContact CD1-CE1 3.74Å; W816-F866 AromaticContact CD1-CG 3.6Å; W816-F866 HydrophobicContact CD2-CD1 4.43Å; W816-F866 AromaticContact CG-CD1 3.68Å; W816-F866 HydrophobicContact CG-CD1 3.68Å; W816-F866 AromaticContact CG-CE1 3.7Å; W816-F866 HydrophobicContact CG-CE1 3.7Å; W816-F866 HydrophobicContact CG-CG 4.35Å; W816-F866 HydrophobicContact CG-CZ 4.37Å; W816-F866 AromaticContact NE1-CD1 3.95Å; V817-F866 HydrophobicContact CG2-CZ 4.13Å; W833-F866 AromaticContact CH2-CE1 3.96Å; W833-F866 HydrophobicContact CH2-CE1 3.96Å; W833-F866 HydrophobicContact CH2-CZ 4.26Å; W833-F866 HydrophobicContact CZ3-CE1 4.16Å; W833-F866 HydrophobicContact CZ3-CZ 4.24Å; Y862-F866 VanDerWaalsContact O-CB 3.31Å; Y862-F866 WeakPolarHBondContact O-CB 3.17Å; Y862-F866 PolarHBondContact O-N 3.26Å; L864-F866 PolarHBondContact O-N 2.91Å; F866-L868 VanDerWaalsContact C-N 3.28Å; F866-L868 PolarHBondContact O-N 3.47Å; F866-H869 PolarHBondContact O-N 3.05Å; F866-A870 HydrophobicContact CD2-CB 4.02Å; F866-A870 HydrophobicContact CE2-CB 3.77Å; F866-A870 HydrophobicContact CZ-CB 4.24Å; F866-A870 WeakPolarHBondContact O-CB 3.24Å; F866-A870 PolarHBondContact O-N 2.98Å; F866-L875 HydrophobicContact CE2-CD2 3.99Å; F866-L875 HydrophobicContact CZ-CD2 3.97Å
867	L	87.2	Confident	84.8	Confident	1 Å²	1	35.2 Å²	35.2	1%	0.005	17%	0.173	C	C	.	.	H	α-helix	trans	-72	-19.9	-178.5	-69.6	168.7	0	0	0	113.3	W833 L834 Q837 R838 L841 R863 L864	W833-L867 HydrophobicContact CZ3-CD2 4.25Å; L834-L867 HydrophobicContact CD2-CD2 4.05Å; Q837-L867 HydrophobicContact CB-CD1 4.07Å; Q837-L867 HydrophobicContact CB-CD2 3.61Å; Q837-L867 HydrophobicContact CG-CD2 4.48Å; R838-L867 HydrophobicContact CG-CB 4.4Å; R838-L867 VanDerWaalsContact CZ-O 3.31Å; R838-L867 PolarHBondContact NE-O 3.18Å; R838-L867 PolarHBondContact NH2-O 3.35Å; L841-L867 HydrophobicContact CB-CD1 4.35Å; L841-L867 HydrophobicContact CD2-CB 4.16Å; L841-L867 HydrophobicContact CD2-CD1 3.73Å; L841-L867 HydrophobicContact CG-CD1 4.49Å; R863-L867 HydrophobicContact CG-CD1 4.03Å; R863-L867 WeakPolarHBondContact O-CB 3.49Å; R863-L867 WeakPolarHBondContact O-CG 3.31Å; R863-L867 PolarHBondContact O-N 2.67Å; L864-L867 PolarHBondContact O-N 2.92Å
868	L	80.7	Confident	85.5	Confident	16 Å²	16	34.4 Å²	34.4	8%	0.084	17%	0.168	C	C	.	.	H	α-helix	trans	-71.5	-46.3	166.4	-80.1	171.6	0	0	0	112.6	L504 I507 C511 L864 L865 F866	L504-L868 HydrophobicContact CD2-CD2 4.04Å; L504-L868 VanDerWaalsContact CD2-O 3.31Å; L504-L868 WeakPolarHBondContact CD2-O 3.36Å; L504-L868 WeakPolarHBondContact O-CD2 3.47Å; I507-L868 HydrophobicContact CB-CD2 3.82Å; I507-L868 HydrophobicContact CB-CG 4.38Å; I507-L868 HydrophobicContact CG2-CD1 4.09Å; I507-L868 HydrophobicContact CG2-CD2 3.7Å; I507-L868 HydrophobicContact CG2-CG 3.7Å; C511-L868 HydrophobicContact CB-CD1 4.36Å; L864-L868 WeakPolarHBondContact O-CB 3.33Å; L864-L868 WeakPolarHBondContact O-CG 3.47Å; L864-L868 PolarHBondContact O-N 2.76Å; L865-L868 PolarHBondContact O-N 2.9Å; F866-L868 VanDerWaalsContact C-N 3.28Å; F866-L868 PolarHBondContact O-N 3.47Å
869	H	82.4	Confident	86	Confident	107 Å²	107	34.7 Å²	34.7	50%	0.495	17%	0.169	S	C	.	.	H	α-helix	trans	-92.1	-23.1	-170.5	-64.8	-51.1	0	0	0	114.7	F360 L865 F866	F360-H869 AromaticContact CD1-CE1 3.9Å; F360-H869 AromaticContact CE1-CE1 3.62Å; F360-H869 AromaticContact CZ-CE1 3.83Å; L865-H869 WeakPolarHBondContact O-CB 3.27Å; L865-H869 PolarHBondContact O-CD2 2.83Å; L865-H869 PolarHBondContact O-N 3.17Å; F866-H869 PolarHBondContact O-N 3.05Å
870	A	87	Confident	86.1	Confident	9 Å²	9	39.1 Å²	39.1	7%	0.074	19%	0.188	C	C	.	.			trans	-67.3	134.2	-178.1	0	0	0	0	0	112.3	L834 R838 F866 L875	L834-A870 HydrophobicContact CD2-CB 3.72Å; R838-A870 PolarHBondContact NH2-O 3.36Å; F866-A870 HydrophobicContact CD2-CB 4.02Å; F866-A870 HydrophobicContact CE2-CB 3.77Å; F866-A870 HydrophobicContact CZ-CB 4.24Å; F866-A870 WeakPolarHBondContact O-CB 3.24Å; F866-A870 PolarHBondContact O-N 2.98Å; A870-L875 HydrophobicContact CB-CD2 4.45Å
871	S	89.3	Confident	86.3	Confident	50 Å²	50	39.2 Å²	39.2	35%	0.35	19%	0.189	S	C	.	.			trans	-111.8	157.8	172.1	72.9	0	0	0	0	110.4	L834 K873 S874 L875	L834-S871 VanDerWaalsContact CD1-C 3.4Å; S871-K873 PolarHBondContact O-N 3.11Å; S871-S874 PolarHBondContact N-OG 3.46Å; S871-S874 PolarHBondContact O-N 2.99Å; S871-S874 PolarHBondContact O-OG 3.04Å; S871-S874 VanDerWaalsContact O-OG 3.05Å; S871-S874 VanDerWaalsContact OG-CB 3.3Å; S871-S874 WeakPolarHBondContact OG-CB 3.37Å; S871-S874 PolarHBondContact OG-N 3.43Å; S871-S874 PolarHBondContact OG-OG 3.3Å; S871-L875 WeakPolarHBondContact O-CG 3.47Å; S871-L875 PolarHBondContact O-N 2.96Å; S871-L875 VanDerWaalsContact O-N 3.1Å
872	S	89.4	Confident	86.4	Confident	14 Å²	14	36.8 Å²	36.8	10%	0.098	18%	0.178	C	C	.	.	H	α-helix	trans	-54.6	-42.8	173	46.4	0	0	0	0	111.5	E827 L875 L876	E827-S872 VanDerWaalsContact CG-CB 3.42Å; E827-S872 WeakPolarHBondContact CG-OG 3.48Å; E827-S872 PolarHBondContact OE1-OG 3.42Å; S872-L875 PolarHBondContact O-N 2.87Å; S872-L876 WeakPolarHBondContact O-CG 3.44Å; S872-L876 PolarHBondContact O-N 3.41Å; S872-L876 VanDerWaalsContact O-N 3.11Å
873	K	90.1	Very high	85.9	Confident	137 Å²	137	38.2 Å²	38.2	60%	0.596	18%	0.184	S	C	*	.	H	α-helix	trans	-64.2	-45.8	178.1	-63.9	-174.7	178	-176	0	113.1	E827 S871 L875 L876 E877	E827-K873 HydrophobicContact CG-CG 4.4Å; E827-K873 WeakPolarHBondContact OE2-CE 3.3Å; E827-K873 WeakPolarHBondContact OE2-CG 3.41Å; S871-K873 PolarHBondContact O-N 3.11Å; K873-L875 VanDerWaalsContact C-N 3.32Å; K873-L875 PolarHBondContact O-N 3.27Å; K873-L876 WeakPolarHBondContact O-CB 3.39Å; K873-L876 PolarHBondContact O-N 3.11Å; K873-E877 PolarHBondContact O-N 3.44Å
874	S	90.6	Very high	84.6	Confident	22 Å²	22	39.6 Å²	39.6	15%	0.154	20%	0.197	C	C	.	.	H	α-helix	trans	-69	-29.6	-179.2	63.6	0	0	0	0	112.8	T809 S871 A878	T809-S874 WeakPolarHBondContact CG2-O 3.26Å; S871-S874 PolarHBondContact N-OG 3.46Å; S871-S874 PolarHBondContact O-N 2.99Å; S871-S874 PolarHBondContact O-OG 3.04Å; S871-S874 VanDerWaalsContact O-OG 3.05Å; S871-S874 VanDerWaalsContact OG-CB 3.3Å; S871-S874 WeakPolarHBondContact OG-CB 3.37Å; S871-S874 PolarHBondContact OG-N 3.43Å; S871-S874 PolarHBondContact OG-OG 3.3Å; S874-A878 PolarHBondContact O-N 3.16Å
875	L	90.9	Very high	83.3	Confident	1 Å²	1	41.1 Å²	41.1	1%	0.005	21%	0.205	C	C	.	.	H	α-helix	trans	-69.5	-42.5	169.6	-65.8	-173.8	0	0	0	112.1	V817 L824 A830 W833 L834 F866 A870 S871 S872 K873 E877 A878 E879	V817-L875 HydrophobicContact CG2-CD2 4.28Å; L824-L875 HydrophobicContact CD1-CB 4.01Å; L824-L875 HydrophobicContact CD1-CD1 3.86Å; A830-L875 HydrophobicContact CB-CB 4.47Å; W833-L875 HydrophobicContact CE3-CD1 3.88Å; W833-L875 HydrophobicContact CZ3-CD1 3.96Å; L834-L875 HydrophobicContact CD1-CD1 3.86Å; L834-L875 HydrophobicContact CD1-CG 4.48Å; L834-L875 HydrophobicContact CD2-CD1 3.92Å; L834-L875 HydrophobicContact CG-CD1 3.71Å; F866-L875 HydrophobicContact CE2-CD2 3.99Å; F866-L875 HydrophobicContact CZ-CD2 3.97Å; A870-L875 HydrophobicContact CB-CD2 4.45Å; S871-L875 WeakPolarHBondContact O-CG 3.47Å; S871-L875 PolarHBondContact O-N 2.96Å; S871-L875 VanDerWaalsContact O-N 3.1Å; S872-L875 PolarHBondContact O-N 2.87Å; K873-L875 VanDerWaalsContact C-N 3.32Å; K873-L875 PolarHBondContact O-N 3.27Å; L875-E877 VanDerWaalsContact C-N 3.27Å; L875-E877 PolarHBondContact O-N 3.34Å; L875-A878 PolarHBondContact O-N 2.7Å; L875-E879 WeakPolarHBondContact O-CB 3.22Å; L875-E879 PolarHBondContact O-N 3.19Å
876	L	90	Very high	81.9	Confident	26 Å²	26	48 Å²	48	14%	0.136	23%	0.228	C	C	.	.	H	α-helix	trans	-61.5	-35.3	173.6	-70.6	-175.4	0	0	0	112.7	L824 E827 A830 S872 K873 K880	L824-L876 HydrophobicContact CB-CD2 4.46Å; L824-L876 WeakPolarHBondContact O-CD2 3.33Å; E827-L876 HydrophobicContact CB-CD1 3.85Å; E827-L876 HydrophobicContact CG-CD1 4.18Å; A830-L876 HydrophobicContact CB-CD2 4.41Å; A830-L876 HydrophobicContact CB-CG 4.45Å; S872-L876 WeakPolarHBondContact O-CG 3.44Å; S872-L876 PolarHBondContact O-N 3.41Å; S872-L876 VanDerWaalsContact O-N 3.11Å; K873-L876 WeakPolarHBondContact O-CB 3.39Å; K873-L876 PolarHBondContact O-N 3.11Å; L876-K880 WeakPolarHBondContact O-CB 3.4Å; L876-K880 WeakPolarHBondContact O-CG 3.43Å; L876-K880 PolarHBondContact O-N 2.79Å
877	E	89.3	Confident	79.8	Confident	89 Å²	89	52.4 Å²	52.4	42%	0.416	26%	0.26	S	S	.	.	H	α-helix	trans	-66	-44.5	176.9	-161.7	-172.1	145.6	0	0	111.2	R806 K873 L875 K880 M881	R806-E877 WeakPolarHBondContact CD-OE1 3.4Å; K873-E877 PolarHBondContact O-N 3.44Å; L875-E877 VanDerWaalsContact C-N 3.27Å; L875-E877 PolarHBondContact O-N 3.34Å; E877-K880 PolarHBondContact O-N 3.43Å; E877-M881 HydrophobicContact CG-CE 4.24Å; E877-M881 WeakPolarHBondContact O-CG 3.43Å; E877-M881 PolarHBondContact O-N 3.27Å
878	A	89.1	Confident	77.6	Confident	0 Å²	0	54.1 Å²	54.1	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-66.5	-42.6	175.6	0	0	0	0	0	113.4	T809 L810 Y813 S874 L875 K880 M881 T882	T809-A878 HydrophobicContact CG2-CB 4.39Å; L810-A878 HydrophobicContact CD1-CB 4.25Å; Y813-A878 HydrophobicContact CD1-CB 4.05Å; Y813-A878 HydrophobicContact CD2-CB 4.12Å; Y813-A878 HydrophobicContact CG-CB 3.62Å; S874-A878 PolarHBondContact O-N 3.16Å; L875-A878 PolarHBondContact O-N 2.7Å; A878-K880 VanDerWaalsContact C-N 3.34Å; A878-K880 PolarHBondContact O-N 2.82Å; A878-M881 PolarHBondContact O-N 2.88Å; A878-T882 PolarHBondContact O-N 3.31Å; A878-T882 PolarHBondContact O-OG1 3.42Å
879	E	88.3	Confident	75.6	Confident	13 Å²	13	61.3 Å²	61.3	6%	0.061	31%	0.31	C	S	.	.	H	α-helix	trans	-55.2	-48.5	172	176.6	97.2	-145.9	0	0	110.4	Y813 R823 L824 L875 T882 F883	Y813-E879 HydrophobicContact CE2-CB 3.99Å; Y813-E879 VanDerWaalsContact OH-CD 3.23Å; Y813-E879 PolarHBondContact OH-OE2 2.84Å; R823-E879 WeakPolarHBondContact CB-OE1 3.38Å; R823-E879 WeakPolarHBondContact CD-OE1 3.48Å; R823-E879 WeakPolarHBondContact CG-OE1 3.2Å; L824-E879 WeakPolarHBondContact CA-OE2 3.36Å; L824-E879 WeakPolarHBondContact CB-OE2 3.37Å; L824-E879 PolarHBondContact N-OE2 2.97Å; L875-E879 WeakPolarHBondContact O-CB 3.22Å; L875-E879 PolarHBondContact O-N 3.19Å; E879-T882 PolarHBondContact O-N 2.84Å; E879-F883 HydrophobicContact CG-CD2 4.13Å; E879-F883 WeakPolarHBondContact O-CD2 3.28Å; E879-F883 PolarHBondContact O-N 3.21Å; E879-F883 VanDerWaalsContact OE1-CD2 3.31Å; E879-F883 WeakPolarHBondContact OE1-CD2 3.28Å; E879-F883 WeakPolarHBondContact OE1-CE2 3.41Å
880	K	86.4	Confident	73.5	Confident	129 Å²	129	63.5 Å²	63.5	56%	0.561	32%	0.32	S	S	*	.	H	α-helix	trans	-61.5	-46.6	175.4	-75.3	171.4	-177.2	-176.1	0	112.5	L876 E877 A878 T882 F883 L884	L876-K880 WeakPolarHBondContact O-CB 3.4Å; L876-K880 WeakPolarHBondContact O-CG 3.43Å; L876-K880 PolarHBondContact O-N 2.79Å; E877-K880 PolarHBondContact O-N 3.43Å; A878-K880 VanDerWaalsContact C-N 3.34Å; A878-K880 PolarHBondContact O-N 2.82Å; K880-T882 PolarHBondContact O-N 2.93Å; K880-F883 PolarHBondContact O-N 3.47Å; K880-L884 HydrophobicContact CB-CD1 4.03Å; K880-L884 WeakPolarHBondContact O-CB 3.37Å; K880-L884 VanDerWaalsContact O-CG 3.26Å; K880-L884 WeakPolarHBondContact O-CG 3.47Å; K880-L884 PolarHBondContact O-N 2.98Å
881	M	83.7	Confident	71.1	Confident	29 Å²	29	68.6 Å²	68.6	14%	0.143	35%	0.351	C	S	.	.	H	α-helix	trans	-60.6	-32.7	177.6	-75.9	-170.4	-72.3	0	0	112.7	K791 V795 L810 E877 A878	K791-M881 HydrophobicContact CG-CB 4.46Å; V795-M881 HydrophobicContact CG2-SD 4.11Å; L810-M881 HydrophobicContact CB-CE 4.37Å; L810-M881 HydrophobicContact CD1-CB 4.32Å; L810-M881 HydrophobicContact CD2-CB 4.45Å; E877-M881 HydrophobicContact CG-CE 4.24Å; E877-M881 WeakPolarHBondContact O-CG 3.43Å; E877-M881 PolarHBondContact O-N 3.27Å; A878-M881 PolarHBondContact O-N 2.88Å
882	T	79.5	Confident	68.7	Low	1 Å²	1	71 Å²	71	1%	0.006	36%	0.364	C	S	.	.	H	α-helix	trans	-75.5	-42.2	177	-50.2	0	0	0	0	112.2	L784 L810 Y813 L814 A878 E879 K880	L784-T882 HydrophobicContact CB-CG2 4.5Å; L810-T882 WeakPolarHBondContact CD1-OG1 3.34Å; Y813-T882 WeakPolarHBondContact CE1-OG1 3.45Å; L814-T882 HydrophobicContact CD2-CG2 4.14Å; A878-T882 PolarHBondContact O-N 3.31Å; A878-T882 PolarHBondContact O-OG1 3.42Å; E879-T882 PolarHBondContact O-N 2.84Å; K880-T882 PolarHBondContact O-N 2.93Å
883	F	73.5	Confident	66	Low	32 Å²	32	77.7 Å²	77.7	14%	0.14	40%	0.404	C	S	.	.	H	α-helix	trans	-97	-24.1	-169.2	-73.4	-64.8	0	0	0	116.1	L784 R823 E879 K880 L885 R886	L784-F883 HydrophobicContact CD1-CE1 3.74Å; L784-F883 HydrophobicContact CD1-CZ 3.93Å; L784-F883 HydrophobicContact CD2-CD1 4.05Å; L784-F883 HydrophobicContact CD2-CE1 3.53Å; L784-F883 HydrophobicContact CD2-CZ 4.37Å; L784-F883 HydrophobicContact CG-CE1 4.29Å; R823-F883 HydrophobicContact CG-CE2 4.11Å; R823-F883 HydrophobicContact CG-CZ 4.3Å; E879-F883 HydrophobicContact CG-CD2 4.13Å; E879-F883 WeakPolarHBondContact O-CD2 3.28Å; E879-F883 PolarHBondContact O-N 3.21Å; E879-F883 VanDerWaalsContact OE1-CD2 3.31Å; E879-F883 WeakPolarHBondContact OE1-CD2 3.28Å; E879-F883 WeakPolarHBondContact OE1-CE2 3.41Å; K880-F883 PolarHBondContact O-N 3.47Å; F883-L885 PolarHBondContact O-N 2.95Å; F883-R886 WeakPolarHBondContact O-CB 2.73Å; F883-R886 PolarHBondContact O-N 2.85Å
884	L	60.1	Low	64.8	Low	111 Å²	111	74.7 Å²	74.7	58%	0.581	39%	0.394	S	S	*	.	G	3₁₀ helix	trans	-63.6	-30	179	-74	169.5	0	0	0	112.7	K880 R886 S887 S888	K880-L884 HydrophobicContact CB-CD1 4.03Å; K880-L884 WeakPolarHBondContact O-CB 3.37Å; K880-L884 VanDerWaalsContact O-CG 3.26Å; K880-L884 WeakPolarHBondContact O-CG 3.47Å; K880-L884 PolarHBondContact O-N 2.98Å; L884-R886 PolarHBondContact O-N 3.16Å; L884-S887 PolarHBondContact O-N 2.96Å; L884-S887 PolarHBondContact O-OG 3.03Å; L884-S888 PolarHBondContact O-N 3.34Å
885	L	52.7	Low	63.5	Low	36 Å²	36	77.5 Å²	77.5	19%	0.188	41%	0.407	C	S	.	.	G	3₁₀ helix	trans	-65.8	-14.4	174.8	-75.5	169.2	0	0	0	114	I787 K791 F883 S887 S888	I787-L885 HydrophobicContact CG2-CB 3.93Å; I787-L885 HydrophobicContact CG2-CD1 3.78Å; K791-L885 HydrophobicContact CB-CD1 3.88Å; K791-L885 HydrophobicContact CD-CD1 4.03Å; K791-L885 HydrophobicContact CG-CD1 3.97Å; F883-L885 PolarHBondContact O-N 2.95Å; L885-S887 VanDerWaalsContact C-N 3.31Å; L885-S888 WeakPolarHBondContact CA-OG 2.85Å
886	R	51.1	Low	62	Low	182 Å²	182	81.7 Å²	81.7	69%	0.687	43%	0.429	S	S	*	.	G	3₁₀ helix	trans	-84	-6.8	173.4	-167.8	166.2	176.4	158.8	1	113.1	F883 L884	F883-R886 WeakPolarHBondContact O-CB 2.73Å; F883-R886 PolarHBondContact O-N 2.85Å; L884-R886 PolarHBondContact O-N 3.16Å
887	S	44.7	Very low	60.3	Low	96 Å²	96	85 Å²	85	67%	0.671	45%	0.447	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.5	-16.6	174.7	29.4	0	0	0	0	113.9	L884 L885	L884-S887 PolarHBondContact O-N 2.96Å; L884-S887 PolarHBondContact O-OG 3.03Å; L885-S887 VanDerWaalsContact C-N 3.31Å
888	S	40.1	Very low	58.5	Low	37 Å²	37	84.8 Å²	84.8	26%	0.259	45%	0.449	S	S	.	.			trans	-99.9	120	172.8	52.2	0	0	0	0	110	L884 L885 E890	L884-S888 PolarHBondContact O-N 3.34Å; L885-S888 WeakPolarHBondContact CA-OG 2.85Å; S888-E890 PolarHBondContact O-N 2.77Å
889	N	39.2	Very low	56.5	Low	166 Å²	166	90.4 Å²	90.4	89%	0.888	48%	0.478	S	S	*	.			trans	-73.1	25.5	170.5	-74.4	-12.1	0	0	0	112.8	T891	N889-T891 PolarHBondContact O-N 3.07Å
890	E	38.7	Very low	54.2	Low	153 Å²	153	95.9 Å²	95.9	72%	0.715	51%	0.508	S	S	*	.			trans	-74.4	104.7	174.7	-69.3	-175.4	147.1	0	0	108.6	S888 T892	S888-E890 PolarHBondContact O-N 2.77Å; E890-T892 PolarHBondContact O-N 3.24Å; E890-T892 VanDerWaalsContact O-N 3.14Å
891	T	36.3	Very low	51.7	Low	117 Å²	117	93.4 Å²	93.4	72%	0.718	50%	0.504	S	S	*	.			trans	-63.6	110.6	-178.1	46.5	0	0	0	0	111	N889 T893	N889-T891 PolarHBondContact O-N 3.07Å; T891-T893 PolarHBondContact O-N 2.64Å
892	T	39.9	Very low	49	Very low	100 Å²	100	98.8 Å²	98.8	61%	0.613	53%	0.534	S	S	*	.			trans	-73.2	78.7	162.3	53.1	0	0	0	0	109.7	E890	E890-T892 PolarHBondContact O-N 3.24Å; E890-T892 VanDerWaalsContact O-N 3.14Å
893	T	32.9	Very low	46.3	Very low	154 Å²	154	107.6 Å²	107.6	95%	0.945	58%	0.582	S	S	*	*			trans	-94.9	0	159.9	51	0	0	0	0	108.9	L156 T891	L156-T893 WeakPolarHBondContact CD1-OG1 2.94Å; T891-T893 PolarHBondContact O-N 2.64Å

Retrieved 893 of 893 residues in 386.3 ms (Link to these results)

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