A0A5K4FC07_SCHMA Loading...

Homeobox domain-containing protein AlphaSync

AlphaFold DB , UniProt , Accession A0A5K4FC07, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,052 aa.

						>A0A5K4FC07_SCHMA|A0A5K4FC07
MSVWDDHIHATKKFKHSESNEESNENHDKRKQVDAHVQAFLKAVLDHAHGGTVRQTNNPNKKDKSVIKKDAFTQTDEQNDFDFESCSYNPDQSVSEYMGCNKNEQSSRVPNREMYSEEALNLLSQQSFYSEEAQNDLSLNDNSIHCYSTQGETGLLNHGVSNKGTRISSNKIKRAIDEWVKKYEDWFFQNFGMDVRTASHSIESKPETELKQSSESIIGAQTLFNTNSSDSQMLNPCVVSHAPVSYFIPEGSLCTIDGRFSPYYSLVPSFYLSPTLNNAPLGLHSNMTAFNFGVGVSLYPNHTFIPTTINTTMPNAVVSYSSNFANQLGASTVSFPPNVTSTTTTCNTTSFHVGTSFPIPPTIQQNHSITSFADLPSELQTSAMLATLALPVADSQHSLGQWGPHLKYGTYGRLPSPLDLQAFDSQRKLSEFGQNQANQLSYSSPDMSNISPTPNKSVKMPPPPPTFILLRRQAMVCALQLCCRERGSELFLREKESCSGLFIDFVKELAQVVESSIGLQPTYVFTKITDLPQRERSFFLNTEVQKCPQNHLSSISNTEKAFDIKQLIACDLLIGDVLIAESLSASKSLAQICTARQAFQILSRPCFLVGSVRQWEEVEYLVLCLSPKAEIVPKLSPFLKDPFESNFEKDSEFEGDESITTVFTPKPFDDMWIYLARLPKEKLYDQVHLERILAQSAEFSQMLISFEFEVQTTTGQIICNTLIDNQRCLSVESPDLHDAQQSAMSSLLNKLCATQPVVGLIFSREEEFEDDTTSSLWGIPEHVMVENLMWGKEELDSPIHFEQLEAHCEIPTLSPTHLNCDGADTNNNYNGINCTNRFSSSIIIESYLQAYAASALVSPICIFPTVVPNSLWPVVQQHARRWGLLSRVEVKRSSDPSSCLIVCKRVPLSRLKRSLYDQQQYGCFYLIDKGDLTTEALKRLYQADPLCFSENGSTTPNDNVQSSDHMTNSNLLSSSPPTYFRTSDEYNDEPVTRYAREFLSTYKTRIKKESNEDNCNLINDDCVLVTAELNQPSNAIEILDDLPKTLIPGIDF
					

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters 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	29	Very low	27.8	Very low	247 Å²	247	154.8 Å²	154.8	100%	1.217	82%	0.817	S	S	*	*				0	91.7	0	-106.6	-179.8	158	0	0	107.7
2	S	30.3	Very low	27.4	Very low	122 Å²	122	157.3 Å²	157.3	85%	0.853	82%	0.816	S	S	*	*			trans	-174.8	70.6	164.2	51.4	0	0	0	0	106.5
3	V	30.5	Very low	27	Very low	124 Å²	124	159.8 Å²	159.8	75%	0.752	82%	0.816	S	S	*	*			trans	-73.6	132.7	156.7	-171.5	0	0	0	0	104.7
4	W	29	Very low	26.8	Very low	221 Å²	221	162.1 Å²	162.1	84%	0.837	82%	0.818	S	S	*	*				179.2	124.3	125.6	-89.7	-14.5	0	0	0	114.4
5	D	30.2	Very low	26.6	Very low	120 Å²	120	165.1 Å²	165.1	64%	0.642	82%	0.824	S	S	*	*				89.3	89.7	128.8	-59.9	-9.5	0	0	0	118.6	H7	D5-H7 PolarHBondContact O-N 3.36Å
6	D	27.5	Very low	26.5	Very low	148 Å²	148	165 Å²	165	79%	0.791	82%	0.82	S	S	*	*				-28.4	121	127.1	-75.8	-37.6	0	0	0	112.7
7	H	30	Very low	26.4	Very low	173 Å²	173	160.3 Å²	160.3	80%	0.801	81%	0.806	S	S	*	*			trans	-153.6	104.6	135.7	-97.8	-30.9	0	0	0	111.8	D5 H9	D5-H7 PolarHBondContact O-N 3.36Å; H7-H9 PolarHBondContact O-N 3.13Å
8	I	22.9	Very low	26.4	Very low	157 Å²	157	161.3 Å²	161.3	81%	0.805	81%	0.808	S	S	*	*			trans	-46.3	121.2	157.9	-64.6	165.5	0	0	0	109.8
9	H	29.1	Very low	26.5	Very low	187 Å²	187	158.6 Å²	158.6	87%	0.866	81%	0.806	S	S	*	*			trans	-119.8	128.6	156.2	-95.6	-66	0	0	0	110.9	H7	H7-H9 PolarHBondContact O-N 3.13Å
10	A	24.9	Very low	26.7	Very low	81 Å²	81	159 Å²	159	67%	0.669	81%	0.81	S	S	*	*			trans	-68.8	139.3	-164.6	0	0	0	0	0	115.2
11	T	22.7	Very low	27	Very low	123 Å²	123	161 Å²	161	76%	0.755	82%	0.816	S	S	*	*			trans	6.7	121.8	140	55.1	0	0	0	0	118.2
12	K	22.5	Very low	27	Very low	185 Å²	185	158.1 Å²	158.1	80%	0.804	80%	0.8	S	S	*	*				178.2	119.8	111.9	-98.4	170.5	-176.1	175.2	0	112.3
13	K	22.3	Very low	27.4	Very low	189 Å²	189	157.2 Å²	157.2	82%	0.822	79%	0.793	S	S	*	*			trans	52	102.3	142.9	-62.1	-174.9	176.8	-175.1	0	117.6
14	F	24.2	Very low	27.9	Very low	192 Å²	192	157.4 Å²	157.4	84%	0.842	79%	0.79	S	S	*	*			trans	-122.8	110	137.4	-97.2	-88.4	0	0	0	109.4	H16	F14-H16 PolarHBondContact O-N 3.32Å
15	K	23.7	Very low	28.6	Very low	208 Å²	208	153.5 Å²	153.5	90%	0.904	78%	0.781	S	S	*	*			trans	-81.6	99.3	170	-166.5	-175.8	-171.3	-172	0	104.7
16	H	25.7	Very low	29.1	Very low	163 Å²	163	154 Å²	154	76%	0.755	78%	0.784	S	S	*	*			trans	-106.9	109.2	169.9	-100.2	-64.9	0	0	0	109.2	F14	F14-H16 PolarHBondContact O-N 3.32Å
17	S	24.1	Very low	30	Very low	85 Å²	85	152.6 Å²	152.6	59%	0.594	77%	0.772	S	S	*	*			trans	-66.9	158.6	166.4	45.1	0	0	0	0	111.8
18	E	25.8	Very low	30.7	Very low	179 Å²	179	149.3 Å²	149.3	84%	0.836	76%	0.761	S	S	*	*			trans	77.9	101.6	157.7	-69.3	165.2	-170.4	0	0	117.5
19	S	28.6	Very low	31.2	Very low	110 Å²	110	146.7 Å²	146.7	77%	0.769	74%	0.744	S	S	*	*				163.5	114	95.4	45	0	0	0	0	109.2
20	N	30.1	Very low	31.7	Very low	165 Å²	165	147 Å²	147	88%	0.882	74%	0.737	S	S	*	*			trans	-154.2	72.8	162.8	-98.1	-8.3	0	0	0	106.4
21	E	32.8	Very low	32.6	Very low	203 Å²	203	149.5 Å²	149.5	95%	0.949	73%	0.733	S	S	*	*			trans	-93.5	81.2	163.7	-79.4	-171.4	158.4	0	0	107.7
22	E	30	Very low	33.6	Very low	186 Å²	186	150.5 Å²	150.5	87%	0.869	73%	0.729	S	S	*	*			trans	-137.7	64.1	170.7	-153.5	171.4	-142.4	0	0	109
23	S	38.5	Very low	34.4	Very low	102 Å²	102	145.9 Å²	145.9	71%	0.713	72%	0.716	S	S	*	*			trans	-161.4	92.5	169.2	64.6	0	0	0	0	110.8
24	N	41.8	Very low	35.4	Very low	128 Å²	128	141.7 Å²	141.7	68%	0.684	70%	0.703	S	S	*	*	S	Bend	trans	-161.4	-13.5	152.2	-98.1	-26.7	0	0	0	113.6	N26 H27	N24-N26 VanDerWaalsContact C-N 3.3Å; N24-N26 PolarHBondContact O-N 3.36Å; N24-H27 PolarHBondContact O-N 3.22Å
25	E	43.3	Very low	36.6	Very low	139 Å²	139	135.2 Å²	135.2	65%	0.65	69%	0.685	S	S	*	*	H	α-helix	trans	-62.1	-33.5	177.6	-110.6	-160	-172.9	0	0	113.9	H27 K29	E25-H27 PolarHBondContact O-N 3.38Å; E25-K29 WeakPolarHBondContact O-CG 3.25Å; E25-K29 PolarHBondContact O-N 3.4Å; E25-K29 VanDerWaalsContact O-N 3.16Å; E25-K29 IonicContact OE2-NZ 3.13Å; E25-K29 PolarHBondContact OE2-NZ 3.24Å
26	N	40.8	Very low	37.6	Very low	132 Å²	132	132.3 Å²	132.3	71%	0.706	67%	0.674	S	S	*	*	H	α-helix	trans	-71.8	-29.7	-178.1	-103.3	-14.6	0	0	0	113.2	N24 R30	N24-N26 VanDerWaalsContact C-N 3.3Å; N24-N26 PolarHBondContact O-N 3.36Å; N26-R30 PolarHBondContact O-N 3.41Å; N26-R30 VanDerWaalsContact O-N 3.13Å
27	H	45.5	Very low	38.5	Very low	117 Å²	117	128 Å²	128	54%	0.542	66%	0.659	S	S	.	*	H	α-helix	trans	-75.3	-34.4	-179.6	-131	-50.3	0	0	0	111.8	N24 E25 K31	N24-H27 PolarHBondContact O-N 3.22Å; E25-H27 PolarHBondContact O-N 3.38Å; H27-K31 WeakPolarHBondContact O-CG 3.35Å; H27-K31 PolarHBondContact O-N 3.23Å; H27-K31 VanDerWaalsContact O-N 3.1Å
28	D	44.4	Very low	39.6	Very low	104 Å²	104	130.5 Å²	130.5	56%	0.556	66%	0.661	S	S	*	*	H	α-helix	trans	-72.2	-39	175.7	-73.8	-21.2	0	0	0	111.8	R30 K31 Q32	D28-R30 PolarHBondContact O-N 2.96Å; D28-K31 PolarHBondContact O-N 3.07Å; D28-Q32 WeakPolarHBondContact O-CB 3.16Å; D28-Q32 PolarHBondContact O-N 3.24Å
29	K	35.4	Very low	40.9	Very low	103 Å²	103	124.8 Å²	124.8	45%	0.448	65%	0.645	S	S	.	*	H	α-helix	trans	-60.4	-43.8	172.7	-74.2	172	-175.5	161.7	0	111.7	E25 Q32 V33	E25-K29 WeakPolarHBondContact O-CG 3.25Å; E25-K29 PolarHBondContact O-N 3.4Å; E25-K29 VanDerWaalsContact O-N 3.16Å; E25-K29 IonicContact OE2-NZ 3.13Å; E25-K29 PolarHBondContact OE2-NZ 3.24Å; K29-Q32 PolarHBondContact O-N 3.49Å; K29-V33 WeakPolarHBondContact O-CG2 3.49Å; K29-V33 PolarHBondContact O-N 2.99Å
30	R	39.1	Very low	42	Very low	193 Å²	193	126 Å²	126	73%	0.728	64%	0.636	S	S	*	*	H	α-helix	trans	-65	-42	178.5	-144.9	173.9	-167.4	176.6	3.6	112.1	N26 D28 Q32 V33 D34	N26-R30 PolarHBondContact O-N 3.41Å; N26-R30 VanDerWaalsContact O-N 3.13Å; D28-R30 PolarHBondContact O-N 2.96Å; R30-Q32 VanDerWaalsContact C-N 3.31Å; R30-Q32 PolarHBondContact O-N 2.83Å; R30-V33 PolarHBondContact O-N 3.27Å; R30-D34 PolarHBondContact O-N 2.83Å
31	K	44	Very low	42.8	Very low	133 Å²	133	122.6 Å²	122.6	58%	0.578	62%	0.618	S	S	*	*	H	α-helix	trans	-63.8	-35	173.7	-75.8	177	-179.9	174.1	0	112.6	H27 D28 A35	H27-K31 WeakPolarHBondContact O-CG 3.35Å; H27-K31 PolarHBondContact O-N 3.23Å; H27-K31 VanDerWaalsContact O-N 3.1Å; D28-K31 PolarHBondContact O-N 3.07Å; K31-A35 VanDerWaalsContact O-CB 3.32Å; K31-A35 WeakPolarHBondContact O-CB 3.29Å; K31-A35 PolarHBondContact O-N 2.81Å
32	Q	42.1	Very low	43.6	Very low	144 Å²	144	119.3 Å²	119.3	67%	0.673	60%	0.6	S	S	*	*	H	α-helix	trans	-69.4	-38.8	177.9	-163.3	174.1	27.8	0	0	112	D28 K29 R30 H36	D28-Q32 WeakPolarHBondContact O-CB 3.16Å; D28-Q32 PolarHBondContact O-N 3.24Å; K29-Q32 PolarHBondContact O-N 3.49Å; R30-Q32 VanDerWaalsContact C-N 3.31Å; R30-Q32 PolarHBondContact O-N 2.83Å; Q32-H36 WeakPolarHBondContact O-CB 3.19Å; Q32-H36 PolarHBondContact O-N 3.24Å
33	V	40.5	Very low	44.8	Very low	89 Å²	89	112.7 Å²	112.7	54%	0.539	58%	0.578	S	S	.	*	H	α-helix	trans	-65.4	-47.2	174.3	174.8	0	0	0	0	110.8	K29 R30 A35 H36 V37	K29-V33 WeakPolarHBondContact O-CG2 3.49Å; K29-V33 PolarHBondContact O-N 2.99Å; R30-V33 PolarHBondContact O-N 3.27Å; V33-A35 VanDerWaalsContact C-N 3.34Å; V33-A35 PolarHBondContact O-N 2.92Å; V33-H36 WeakPolarHBondContact O-CB 3.5Å; V33-H36 PolarHBondContact O-N 2.75Å; V33-H36 VanDerWaalsContact O-N 3.07Å; V33-V37 HydrophobicContact CG1-CG2 4.38Å; V33-V37 WeakPolarHBondContact O-CG2 3.18Å; V33-V37 PolarHBondContact O-N 2.97Å
34	D	43.9	Very low	45.6	Very low	100 Å²	100	111.3 Å²	111.3	54%	0.535	57%	0.565	S	S	.	*	H	α-helix	trans	-60.6	-42	177.2	-88.7	-7.1	0	0	0	112.3	R30 H36 V37 Q38	R30-D34 PolarHBondContact O-N 2.83Å; D34-H36 VanDerWaalsContact C-N 3.28Å; D34-H36 PolarHBondContact O-N 3.28Å; D34-V37 PolarHBondContact O-N 3.18Å; D34-Q38 WeakPolarHBondContact O-CB 3.3Å; D34-Q38 WeakPolarHBondContact O-CG 3.35Å; D34-Q38 PolarHBondContact O-N 2.71Å
35	A	49.3	Very low	45.9	Very low	57 Å²	57	109.9 Å²	109.9	47%	0.471	56%	0.557	S	S	.	*	H	α-helix	trans	-63.1	-35.7	175.5	0	0	0	0	0	112	K31 V33 A39	K31-A35 VanDerWaalsContact O-CB 3.32Å; K31-A35 WeakPolarHBondContact O-CB 3.29Å; K31-A35 PolarHBondContact O-N 2.81Å; V33-A35 VanDerWaalsContact C-N 3.34Å; V33-A35 PolarHBondContact O-N 2.92Å; A35-A39 WeakPolarHBondContact O-CB 3.41Å; A35-A39 PolarHBondContact O-N 3.2Å
36	H	43.1	Very low	46.1	Very low	146 Å²	146	108.2 Å²	108.2	68%	0.676	55%	0.552	S	S	*	*	H	α-helix	trans	-71.2	-42	177.6	-149.4	71.4	0	0	0	111.9	Q32 V33 D34 A39 F40	Q32-H36 WeakPolarHBondContact O-CB 3.19Å; Q32-H36 PolarHBondContact O-N 3.24Å; V33-H36 WeakPolarHBondContact O-CB 3.5Å; V33-H36 PolarHBondContact O-N 2.75Å; V33-H36 VanDerWaalsContact O-N 3.07Å; D34-H36 VanDerWaalsContact C-N 3.28Å; D34-H36 PolarHBondContact O-N 3.28Å; H36-A39 PolarHBondContact O-N 2.94Å; H36-F40 VanDerWaalsContact O-CB 3.29Å; H36-F40 WeakPolarHBondContact O-CB 3.42Å; H36-F40 PolarHBondContact O-N 2.75Å
37	V	45.6	Very low	46.4	Very low	72 Å²	72	109.8 Å²	109.8	44%	0.436	56%	0.555	S	S	.	*	H	α-helix	trans	-64.6	-43.9	176.5	173.6	0	0	0	0	110.8	V33 D34 F40 L41	V33-V37 HydrophobicContact CG1-CG2 4.38Å; V33-V37 WeakPolarHBondContact O-CG2 3.18Å; V33-V37 PolarHBondContact O-N 2.97Å; D34-V37 PolarHBondContact O-N 3.18Å; V37-F40 PolarHBondContact O-N 2.64Å; V37-L41 HydrophobicContact CG1-CD1 3.93Å; V37-L41 WeakPolarHBondContact O-CB 3.28Å; V37-L41 WeakPolarHBondContact O-CG 3.07Å; V37-L41 PolarHBondContact O-N 2.99Å
38	Q	46.8	Very low	46.4	Very low	139 Å²	139	108 Å²	108	65%	0.65	56%	0.56	S	S	*	*	H	α-helix	trans	-65	-42.8	175.4	-75.4	-173.1	-0	0	0	112.4	D34 F40 L41 K42	D34-Q38 WeakPolarHBondContact O-CB 3.3Å; D34-Q38 WeakPolarHBondContact O-CG 3.35Å; D34-Q38 PolarHBondContact O-N 2.71Å; Q38-F40 VanDerWaalsContact C-N 3.31Å; Q38-F40 PolarHBondContact O-N 2.99Å; Q38-L41 PolarHBondContact O-N 2.78Å; Q38-K42 VanDerWaalsContact O-CB 3.27Å; Q38-K42 WeakPolarHBondContact O-CB 3.33Å; Q38-K42 PolarHBondContact O-N 2.99Å
39	A	53.6	Low	46.1	Very low	59 Å²	59	110 Å²	110	49%	0.488	57%	0.566	S	S	.	*	H	α-helix	trans	-62.7	-39.7	176.3	0	0	0	0	0	111.7	A35 H36 A43	A35-A39 WeakPolarHBondContact O-CB 3.41Å; A35-A39 PolarHBondContact O-N 3.2Å; H36-A39 PolarHBondContact O-N 2.94Å; A39-A43 WeakPolarHBondContact O-CB 3.47Å; A39-A43 PolarHBondContact O-N 3.36Å
40	F	50.7	Low	46.1	Very low	134 Å²	134	108.2 Å²	108.2	59%	0.588	58%	0.577	S	S	*	*	H	α-helix	trans	-64.3	-51.9	175.2	175.9	-100.8	0	0	0	111.8	H36 V37 Q38 K42 A43 V44	H36-F40 VanDerWaalsContact O-CB 3.29Å; H36-F40 WeakPolarHBondContact O-CB 3.42Å; H36-F40 PolarHBondContact O-N 2.75Å; V37-F40 PolarHBondContact O-N 2.64Å; Q38-F40 VanDerWaalsContact C-N 3.31Å; Q38-F40 PolarHBondContact O-N 2.99Å; F40-K42 VanDerWaalsContact C-N 3.27Å; F40-K42 PolarHBondContact O-N 3.16Å; F40-A43 PolarHBondContact O-N 2.9Å; F40-A43 VanDerWaalsContact O-N 3.16Å; F40-V44 HydrophobicContact CD1-CG2 4.33Å; F40-V44 HydrophobicContact CD2-CG2 4.45Å; F40-V44 HydrophobicContact CE1-CG2 3.94Å; F40-V44 HydrophobicContact CE2-CG2 4.08Å; F40-V44 HydrophobicContact CZ-CG2 3.81Å; F40-V44 VanDerWaalsContact O-CG2 3.31Å; F40-V44 WeakPolarHBondContact O-CG2 3.26Å; F40-V44 PolarHBondContact O-N 3.47Å
41	L	48.7	Very low	45.9	Very low	95 Å²	95	102.4 Å²	102.4	50%	0.497	58%	0.577	S	S	.	*	H	α-helix	trans	-58.4	-41.7	178	-76.6	166.9	0	0	0	111.4	V37 Q38 V44 L45	V37-L41 HydrophobicContact CG1-CD1 3.93Å; V37-L41 WeakPolarHBondContact O-CB 3.28Å; V37-L41 WeakPolarHBondContact O-CG 3.07Å; V37-L41 PolarHBondContact O-N 2.99Å; Q38-L41 PolarHBondContact O-N 2.78Å; L41-V44 PolarHBondContact O-N 3.07Å; L41-L45 WeakPolarHBondContact O-CB 3.26Å; L41-L45 VanDerWaalsContact O-CG 3.24Å; L41-L45 WeakPolarHBondContact O-CG 3.35Å; L41-L45 PolarHBondContact O-N 3.07Å
42	K	48.1	Very low	45.4	Very low	133 Å²	133	102.5 Å²	102.5	58%	0.578	59%	0.588	S	S	*	*	H	α-helix	trans	-65.8	-43	176.7	-167.3	-175.8	177.2	-162.5	0	112	Q38 F40 V44 L45 D46	Q38-K42 VanDerWaalsContact O-CB 3.27Å; Q38-K42 WeakPolarHBondContact O-CB 3.33Å; Q38-K42 PolarHBondContact O-N 2.99Å; F40-K42 VanDerWaalsContact C-N 3.27Å; F40-K42 PolarHBondContact O-N 3.16Å; K42-V44 VanDerWaalsContact C-N 3.32Å; K42-V44 PolarHBondContact O-N 2.79Å; K42-L45 PolarHBondContact O-N 3.02Å; K42-D46 WeakPolarHBondContact O-CB 3.14Å; K42-D46 PolarHBondContact O-N 3.22Å
43	A	56.4	Low	44.8	Very low	48 Å²	48	102.2 Å²	102.2	40%	0.397	60%	0.596	S	S	.	*	H	α-helix	trans	-62.8	-38.9	176	0	0	0	0	0	112.1	A39 F40 H47	A39-A43 WeakPolarHBondContact O-CB 3.47Å; A39-A43 PolarHBondContact O-N 3.36Å; F40-A43 PolarHBondContact O-N 2.9Å; F40-A43 VanDerWaalsContact O-N 3.16Å; A43-H47 WeakPolarHBondContact O-CB 3.44Å; A43-H47 PolarHBondContact O-N 3.21Å
44	V	54	Low	44.3	Very low	72 Å²	72	104.5 Å²	104.5	44%	0.436	60%	0.595	S	S	.	*	H	α-helix	trans	-62.8	-44.5	174.1	170.5	0	0	0	0	110.7	F40 L41 K42 A48	F40-V44 HydrophobicContact CD1-CG2 4.33Å; F40-V44 HydrophobicContact CD2-CG2 4.45Å; F40-V44 HydrophobicContact CE1-CG2 3.94Å; F40-V44 HydrophobicContact CE2-CG2 4.08Å; F40-V44 HydrophobicContact CZ-CG2 3.81Å; F40-V44 VanDerWaalsContact O-CG2 3.31Å; F40-V44 WeakPolarHBondContact O-CG2 3.26Å; F40-V44 PolarHBondContact O-N 3.47Å; L41-V44 PolarHBondContact O-N 3.07Å; K42-V44 VanDerWaalsContact C-N 3.32Å; K42-V44 PolarHBondContact O-N 2.79Å; V44-A48 WeakPolarHBondContact O-CB 3.47Å; V44-A48 PolarHBondContact O-N 3.43Å
45	L	48.4	Very low	43.6	Very low	99 Å²	99	108.3 Å²	108.3	52%	0.518	61%	0.61	S	S	.	*	H	α-helix	trans	-66.2	-47.9	177.4	-70.7	167.9	0	0	0	111.4	L41 K42 H47 A48 H49	L41-L45 WeakPolarHBondContact O-CB 3.26Å; L41-L45 VanDerWaalsContact O-CG 3.24Å; L41-L45 WeakPolarHBondContact O-CG 3.35Å; L41-L45 PolarHBondContact O-N 3.07Å; K42-L45 PolarHBondContact O-N 3.02Å; L45-H47 VanDerWaalsContact C-N 3.29Å; L45-H47 PolarHBondContact O-N 3.24Å; L45-A48 WeakPolarHBondContact O-CB 3.49Å; L45-A48 PolarHBondContact O-N 2.87Å; L45-H49 PolarHBondContact O-N 3.39Å; L45-H49 PolarHBondContact O-ND1 2.76Å
46	D	48	Very low	42.6	Very low	103 Å²	103	112 Å²	112	55%	0.551	63%	0.627	S	S	*	*	H	α-helix	trans	-62.5	-36.8	179.7	-74.3	-18.1	0	0	0	111.5	K42 H49	K42-D46 WeakPolarHBondContact O-CB 3.14Å; K42-D46 PolarHBondContact O-N 3.22Å; D46-H49 PolarHBondContact O-N 2.82Å
47	H	46.1	Very low	41.8	Very low	166 Å²	166	112.4 Å²	112.4	77%	0.769	63%	0.634	S	S	*	*	H	α-helix	trans	-68.5	-38.2	172.2	-98.5	-75.2	0	0	0	113.1	A43 L45 H49	A43-H47 WeakPolarHBondContact O-CB 3.44Å; A43-H47 PolarHBondContact O-N 3.21Å; L45-H47 VanDerWaalsContact C-N 3.29Å; L45-H47 PolarHBondContact O-N 3.24Å; H47-H49 PolarHBondContact O-N 3.26Å
48	A	46.2	Very low	40.9	Very low	78 Å²	78	116.5 Å²	116.5	65%	0.645	65%	0.653	S	S	*	*	H	α-helix	trans	-65.5	-25.4	176.9	0	0	0	0	0	112.6	V44 L45	V44-A48 WeakPolarHBondContact O-CB 3.47Å; V44-A48 PolarHBondContact O-N 3.43Å; L45-A48 WeakPolarHBondContact O-CB 3.49Å; L45-A48 PolarHBondContact O-N 2.87Å
49	H	37.3	Very low	40	Very low	147 Å²	147	115.8 Å²	115.8	68%	0.681	66%	0.661	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.9	10.2	-175.6	-69.3	66.9	0	0	0	114.7	L45 D46 H47 G51	L45-H49 PolarHBondContact O-N 3.39Å; L45-H49 PolarHBondContact O-ND1 2.76Å; D46-H49 PolarHBondContact O-N 2.82Å; H47-H49 PolarHBondContact O-N 3.26Å; H49-G51 PolarHBondContact O-N 3.39Å
50	G	35.2	Very low	38.8	Very low	66 Å²	66	120.7 Å²	120.7	68%	0.68	68%	0.679	S	S	*	*			trans	52.8	62.7	156.2	0	0	0	0	0	115.9
51	G	35.2	Very low	37.5	Very low	70 Å²	70	123.7 Å²	123.7	72%	0.722	69%	0.691	S	S	*	*			trans	-111.5	103.4	179	0	0	0	0	0	113.5	H49 V53	H49-G51 PolarHBondContact O-N 3.39Å; G51-V53 PolarHBondContact O-N 3.2Å
52	T	34.5	Very low	36.5	Very low	135 Å²	135	128.9 Å²	128.9	83%	0.828	71%	0.71	S	S	*	*			trans	-46	126.1	178.7	-39.8	0	0	0	0	114.6	R54	T52-R54 PolarHBondContact O-N 3.14Å
53	V	29.7	Very low	35.4	Very low	138 Å²	138	129.7 Å²	129.7	84%	0.836	72%	0.721	S	S	*	*			trans	-45.7	119.2	173	177.8	0	0	0	0	111.6	G51	G51-V53 PolarHBondContact O-N 3.2Å
54	R	29.7	Very low	34	Very low	137 Å²	137	137.4 Å²	137.4	52%	0.517	75%	0.746	S	S	.	*			trans	-125	117.7	169.6	-129.6	177.4	-180	-167.6	-4.4	111.7	T52 T56 N157 H158	T52-R54 PolarHBondContact O-N 3.14Å; R54-T56 PolarHBondContact O-N 3.23Å; R54-N157 PolarHBondContact NH1-O 3.35Å; R54-H158 VanDerWaalsContact CZ-CG 3.47Å; R54-H158 PolarHBondContact NH1-CD2 2.62Å; R54-H158 PolarHBondContact NH2-CD2 2.89Å; R54-H158 PolarHBondContact NH2-CE1 3.41Å; R54-H158 PolarHBondContact NH2-ND1 3.37Å; R54-H158 PolarHBondContact NH2-NE2 3.12Å
55	Q	28.3	Very low	32.7	Very low	180 Å²	180	138.9 Å²	138.9	84%	0.841	76%	0.759	S	S	*	*			trans	-52.3	121.6	-176.3	-70.4	174.3	-3.9	0	0	112	N57	Q55-N57 PolarHBondContact O-N 2.89Å
56	T	28.2	Very low	31.5	Very low	135 Å²	135	140.2 Å²	140.2	83%	0.828	77%	0.771	S	S	*	*			trans	-71	110.3	172	41.9	0	0	0	0	110.3	R54	R54-T56 PolarHBondContact O-N 3.23Å
57	N	26.4	Very low	30.6	Very low	155 Å²	155	142.3 Å²	142.3	83%	0.829	78%	0.781	S	S	*	*	P	Polyproline II helix	trans	-88.3	121.4	161.8	-85.2	-32.9	0	0	0	109.4	Q55 P59	Q55-N57 PolarHBondContact O-N 2.89Å; N57-P59 WeakPolarHBondContact O-CD 3.17Å
58	N	26.4	Very low	29.6	Very low	158 Å²	158	143.7 Å²	143.7	85%	0.845	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-48.9	126.1	176.7	-75.2	-42.1	0	0	0	113.6
59	P	28.7	Very low	28.7	Very low	123 Å²	123	148.9 Å²	148.9	80%	0.799	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-101.1	135	157.4	27.2	-12.7	0	0	0	111	N57	N57-P59 WeakPolarHBondContact O-CD 3.17Å
60	N	28.1	Very low	28.2	Very low	163 Å²	163	149.4 Å²	149.4	87%	0.872	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-61.5	137.4	-172.3	-78.7	-49.6	0	0	0	114.6
61	K	24.5	Very low	28	Very low	196 Å²	196	150.5 Å²	150.5	85%	0.852	80%	0.803	S	S	*	*			trans	-34.3	129.8	156.4	-69.5	171	172.6	177.8	0	112.9
62	K	26.7	Very low	27.8	Very low	204 Å²	204	156.4 Å²	156.4	89%	0.887	81%	0.809	S	S	*	*			trans	-139.4	130.7	142.8	-93.7	-171.4	178.7	177.5	0	110.2
63	D	25.8	Very low	27.8	Very low	151 Å²	151	155.2 Å²	155.2	81%	0.807	80%	0.802	S	S	*	*			trans	-56.6	149.7	-174.1	-54.5	-67.8	0	0	0	113.7
64	K	26.6	Very low	27.8	Very low	210 Å²	210	158.2 Å²	158.2	91%	0.913	81%	0.806	S	S	*	*			trans	-160.2	147.1	138.1	-108.7	162.3	-171.9	-173.4	0	112.4
65	S	25.8	Very low	27.7	Very low	103 Å²	103	156.9 Å²	156.9	72%	0.72	81%	0.814	S	S	*	*			trans	-73.3	136.1	-154.5	47.3	0	0	0	0	115.3	I67	S65-I67 PolarHBondContact O-N 2.89Å
66	V	25.1	Very low	27.8	Very low	127 Å²	127	155.9 Å²	155.9	77%	0.77	81%	0.814	S	S	*	*			trans	-59.7	116	167.4	177	0	0	0	0	110.5	K68	V66-K68 HydrophobicContact CG1-CG 4.13Å
67	I	27.3	Very low	27.7	Very low	147 Å²	147	157.9 Å²	157.9	75%	0.754	81%	0.814	S	S	*	*			trans	-104.4	109.2	159.5	-65.5	175.7	0	0	0	106.4	S65 K69	S65-I67 PolarHBondContact O-N 2.89Å; I67-K69 PolarHBondContact O-N 2.92Å
68	K	25.1	Very low	27.7	Very low	194 Å²	194	158 Å²	158	84%	0.843	81%	0.81	S	S	*	*			trans	-65.5	122.4	174.6	-68.6	174.5	173	-179.3	0	108.8	V66	V66-K68 HydrophobicContact CG1-CG 4.13Å
69	K	27.3	Very low	27.6	Very low	187 Å²	187	156.2 Å²	156.2	81%	0.813	80%	0.8	S	S	*	*			trans	-111.1	127.3	162.7	-82.3	-171.6	171.8	-171	0	108.1	I67	I67-K69 PolarHBondContact O-N 2.92Å
70	D	28.6	Very low	27.5	Very low	159 Å²	159	156.3 Å²	156.3	85%	0.85	79%	0.794	S	S	*	*			trans	-81.4	137.2	-176.8	-155.5	-11.1	0	0	0	109.9	F72	D70-F72 PolarHBondContact O-N 3.23Å
71	A	31	Very low	27.5	Very low	88 Å²	88	156.2 Å²	156.2	73%	0.727	79%	0.786	S	S	*	*	S	Bend	trans	-102.8	38.4	-156.5	0	0	0	0	0	113.3
72	F	31	Very low	27.7	Very low	194 Å²	194	153.6 Å²	153.6	85%	0.851	78%	0.782	S	S	*	*	S	Bend	trans	-123.4	-8.8	-175.1	-142.7	-97.7	0	0	0	117.4	D70	D70-F72 PolarHBondContact O-N 3.23Å
73	T	34.4	Very low	27.7	Very low	111 Å²	111	154.1 Å²	154.1	68%	0.681	78%	0.784	S	S	*	*			trans	-135.1	-14.2	-179.5	51.8	0	0	0	0	118.2	T75	T73-T75 PolarHBondContact O-N 3.49Å; T73-T75 PolarHBondContact O-OG1 3.45Å
74	Q	28.3	Very low	27.8	Very low	200 Å²	200	156.2 Å²	156.2	94%	0.935	79%	0.789	S	S	*	*			trans	25.7	36.7	172.9	-77.8	-165.6	-4.7	0	0	117.6
75	T	28.7	Very low	27.8	Very low	109 Å²	109	151.1 Å²	151.1	67%	0.669	78%	0.78	S	S	*	*			trans	-102.3	104.3	168.3	45.1	0	0	0	0	105.4	T73 E77	T73-T75 PolarHBondContact O-N 3.49Å; T73-T75 PolarHBondContact O-OG1 3.45Å; T75-E77 PolarHBondContact O-N 2.88Å
76	D	30.8	Very low	27.8	Very low	160 Å²	160	152.1 Å²	152.1	86%	0.856	79%	0.786	S	S	*	*			trans	-70.6	107.9	157.3	-76.4	-31.8	0	0	0	106.5	Q78	D76-Q78 PolarHBondContact O-N 3.5Å
77	E	24.4	Very low	27.8	Very low	177 Å²	177	151.3 Å²	151.3	83%	0.827	79%	0.785	S	S	*	*			trans	-60.2	126.8	159.2	-71.2	-175.2	151.6	0	0	107.5	T75	T75-E77 PolarHBondContact O-N 2.88Å
78	Q	26.8	Very low	27.6	Very low	157 Å²	157	154 Å²	154	73%	0.734	79%	0.788	S	S	*	*				169.2	117.5	108.4	-160.6	131.2	6.1	0	0	111.5	D76	D76-Q78 PolarHBondContact O-N 3.5Å
79	N	24.8	Very low	27.7	Very low	121 Å²	121	152 Å²	152	65%	0.647	79%	0.786	S	S	*	*			trans	40.8	124.2	135.3	-64.4	4.2	0	0	0	120.5
80	D	26	Very low	28.1	Very low	124 Å²	124	146.2 Å²	146.2	66%	0.663	77%	0.767	S	S	*	*				133.4	136.3	96.9	-106.4	-7.9	0	0	0	115.9
81	F	29.4	Very low	27.9	Very low	161 Å²	161	145.5 Å²	145.5	71%	0.706	76%	0.764	S	S	*	*			trans	89.2	96.6	156.9	-67.1	-69.2	0	0	0	122.2
82	D	28.3	Very low	27.9	Very low	142 Å²	142	150.9 Å²	150.9	76%	0.759	77%	0.774	S	S	*	*				66.7	99.6	119.6	-65.2	-3.2	0	0	0	121.2
83	F	25.8	Very low	27.6	Very low	214 Å²	214	146.3 Å²	146.3	94%	0.939	77%	0.766	S	S	*	*			trans	-67.3	119	160	-84.6	-102.9	0	0	0	111.3
84	E	28.8	Very low	27.2	Very low	196 Å²	196	147 Å²	147	92%	0.916	77%	0.77	S	S	*	*			trans	-106.9	103.8	161.1	-154.5	166.1	-158.1	0	0	109.5
85	S	26.6	Very low	27.1	Very low	102 Å²	102	141.9 Å²	141.9	71%	0.713	76%	0.756	S	S	*	*			trans	-63.1	137	170.3	49.4	0	0	0	0	112
86	C	24.6	Very low	27.1	Very low	125 Å²	125	146 Å²	146	85%	0.845	77%	0.768	S	S	*	*			trans	-164.3	102.3	142.7	-97	0	0	0	0	112.6
87	S	26.2	Very low	26.9	Very low	109 Å²	109	148.8 Å²	148.8	76%	0.762	77%	0.768	S	S	*	*			trans	29.4	111	139.9	61.7	0	0	0	0	121
88	Y	23.5	Very low	27.1	Very low	205 Å²	205	149 Å²	149	80%	0.804	77%	0.771	S	S	*	*			trans	-41.9	130	141.7	-169	-109.5	0	0	0	112.4	P90	Y88-P90 HydrophobicContact CD1-CG 4.04Å; Y88-P90 HydrophobicContact CE1-CB 4.15Å; Y88-P90 HydrophobicContact CE1-CG 3.53Å
89	N	26.9	Very low	26.9	Very low	151 Å²	151	145.1 Å²	145.1	81%	0.807	77%	0.773	S	S	*	*			trans	-139	99.6	162.7	-147.2	5.4	0	0	0	108.9
90	P	34.9	Very low	26.8	Very low	65 Å²	65	145 Å²	145	42%	0.422	78%	0.781	S	S	.	*			trans	-79.3	131	166.6	35.7	-28.8	0	0	0	106.8	Y88	Y88-P90 HydrophobicContact CD1-CG 4.04Å; Y88-P90 HydrophobicContact CE1-CB 4.15Å; Y88-P90 HydrophobicContact CE1-CG 3.53Å
91	D	25	Very low	26.8	Very low	145 Å²	145	146.7 Å²	146.7	78%	0.775	79%	0.789	S	S	*	*			trans	155.5	89.9	155.3	-81.2	-19.7	0	0	0	108.8
92	Q	30.3	Very low	26.7	Very low	200 Å²	200	147.1 Å²	147.1	94%	0.935	79%	0.791	S	S	*	*			trans	-147.5	84.3	138.4	-111.2	166.2	45	0	0	108.5
93	S	24.5	Very low	26.7	Very low	99 Å²	99	148 Å²	148	69%	0.692	80%	0.796	S	S	*	*			trans	-48.4	160.3	160.7	52.1	0	0	0	0	114.3
94	V	25.8	Very low	26.8	Very low	125 Å²	125	146.3 Å²	146.3	76%	0.758	79%	0.791	S	S	*	*			trans	99.9	82.3	152.2	-160	0	0	0	0	116.2
95	S	26.7	Very low	26.7	Very low	93 Å²	93	146.2 Å²	146.2	65%	0.65	79%	0.79	S	S	*	*				35.9	99.9	108.3	-157.5	0	0	0	0	117.1
96	E	28.7	Very low	27	Very low	196 Å²	196	146.2 Å²	146.2	92%	0.916	79%	0.79	S	S	*	*			trans	-126.5	92.8	147.2	-81.6	-169.5	165.5	0	0	109.6
97	Y	27.8	Very low	27.5	Very low	217 Å²	217	144.8 Å²	144.8	85%	0.851	78%	0.782	S	S	*	*			trans	15.7	105.1	147	-93.7	-99.2	0	0	0	117.7	G99	Y97-G99 PolarHBondContact O-N 3.14Å
98	M	27.1	Very low	27.8	Very low	183 Å²	183	147.7 Å²	147.7	90%	0.901	78%	0.776	S	S	*	*			trans	-50.9	108.6	158.5	-145.2	162.5	-175.5	0	0	110.5	C100	M98-C100 PolarHBondContact O-N 2.74Å
99	G	23.9	Very low	28.5	Very low	75 Å²	75	139.6 Å²	139.6	77%	0.773	75%	0.748	S	S	*	*			trans	-67.7	91.6	169.4	0	0	0	0	0	110.4	Y97 N101	Y97-G99 PolarHBondContact O-N 3.14Å; G99-N101 PolarHBondContact O-N 3.12Å
100	C	22.6	Very low	29.1	Very low	119 Å²	119	134.4 Å²	134.4	80%	0.804	72%	0.722	S	S	*	*			trans	-74.7	88.4	175.9	-151	0	0	0	0	109.3	M98 K102	M98-C100 PolarHBondContact O-N 2.74Å; C100-K102 PolarHBondContact O-N 3.27Å
101	N	25.2	Very low	30.1	Very low	158 Å²	158	134.5 Å²	134.5	85%	0.845	72%	0.72	S	S	*	*			trans	-85.1	100.6	174.2	-126.1	-10.9	0	0	0	109.2	G99 N103	G99-N101 PolarHBondContact O-N 3.12Å; N101-N103 PolarHBondContact O-N 2.9Å
102	K	28.7	Very low	32	Very low	170 Å²	170	135.3 Å²	135.3	74%	0.739	71%	0.712	S	S	*	*			trans	-61.2	107.4	173.1	-65.1	-177.4	175.7	-174.7	0	110.1	C100	C100-K102 PolarHBondContact O-N 3.27Å
103	N	28.1	Very low	33.7	Very low	161 Å²	161	132.7 Å²	132.7	86%	0.861	70%	0.699	S	S	*	*			trans	-133.6	76.4	152.2	-88	-25.7	0	0	0	107.2	N101 Q105	N101-N103 PolarHBondContact O-N 2.9Å; N103-Q105 VanDerWaalsContact C-N 3.34Å; N103-Q105 PolarHBondContact O-N 3.05Å
104	E	27.8	Very low	35.9	Very low	179 Å²	179	128 Å²	128	84%	0.836	67%	0.667	S	S	*	*			trans	-70.2	88	173.2	-71.1	-180	152.9	0	0	109.7
105	Q	26.3	Very low	37.8	Very low	193 Å²	193	123.4 Å²	123.4	90%	0.902	64%	0.636	S	S	*	*			trans	-123.1	54.4	153.4	-101.2	158.7	-16	0	0	107.9	N103 S107	N103-Q105 VanDerWaalsContact C-N 3.34Å; N103-Q105 PolarHBondContact O-N 3.05Å; Q105-S107 PolarHBondContact O-N 3.34Å
106	S	33.1	Very low	39.7	Very low	102 Å²	102	120 Å²	120	71%	0.713	61%	0.612	S	S	*	*			trans	-67.2	120.6	171.2	179.5	0	0	0	0	108.6	R108	S106-R108 PolarHBondContact O-N 2.9Å
107	S	33.9	Very low	41.5	Very low	96 Å²	96	117.9 Å²	117.9	67%	0.671	60%	0.602	S	S	*	*			trans	-41.6	120.1	173.5	48.7	0	0	0	0	111.1	Q105 V109	Q105-S107 PolarHBondContact O-N 3.34Å; S107-V109 WeakPolarHBondContact O-CG2 3.31Å; S107-V109 PolarHBondContact O-N 2.75Å
108	R	33.4	Very low	43.1	Very low	169 Å²	169	108.6 Å²	108.6	64%	0.638	57%	0.567	S	S	*	*			trans	-60.1	105.3	-178.6	-172.5	-178.2	-171	175.1	0.1	110	S106 P110 S273	S106-R108 PolarHBondContact O-N 2.9Å; R108-P110 WeakPolarHBondContact O-CD 3.33Å; R108-S273 WeakPolarHBondContact CB-OG 3.49Å; R108-S273 WeakPolarHBondContact CD-OG 3.47Å
109	V	37.4	Very low	44.7	Very low	35 Å²	35	100.1 Å²	100.1	21%	0.212	53%	0.525	C	S	.	.			trans	-83.8	105.5	172.2	-175.8	0	0	0	0	108.4	S107 R112 L123 Y271	S107-V109 WeakPolarHBondContact O-CG2 3.31Å; S107-V109 PolarHBondContact O-N 2.75Å; V109-R112 PolarHBondContact O-N 3.2Å; V109-L123 HydrophobicContact CG1-CD2 4.41Å; V109-Y271 HydrophobicContact CB-CE1 4.11Å; V109-Y271 HydrophobicContact CG1-CE1 3.85Å; V109-Y271 VanDerWaalsContact CG1-OH 3.24Å; V109-Y271 WeakPolarHBondContact CG1-OH 3.46Å; V109-Y271 HydrophobicContact CG2-CE1 4.32Å
110	P	40.4	Very low	46.5	Very low	42 Å²	42	97.9 Å²	97.9	27%	0.273	50%	0.495	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.8	139.8	168.6	13.7	-29.1	0	0	0	111.5	R108 R112 Y271	R108-P110 WeakPolarHBondContact O-CD 3.33Å; P110-R112 VanDerWaalsContact C-N 3.33Å; P110-R112 PolarHBondContact O-N 3.33Å; P110-Y271 VanDerWaalsContact CD-CD1 3.45Å; P110-Y271 VanDerWaalsContact CD-CE1 3.41Å; P110-Y271 HydrophobicContact CG-CD1 3.94Å; P110-Y271 HydrophobicContact CG-CD2 3.75Å; P110-Y271 HydrophobicContact CG-CE1 3.93Å; P110-Y271 HydrophobicContact CG-CE2 3.71Å; P110-Y271 HydrophobicContact CG-CG 3.85Å
111	N	56.3	Low	48.4	Very low	68 Å²	68	96.2 Å²	96.2	36%	0.364	48%	0.478	S	S	.	.	T	Hydrogen-bonded Turn	trans	63.7	26.2	-177.8	-56.5	-23.5	0	0	0	115.8	E113 M114 R413	N111-E113 PolarHBondContact O-N 2.81Å; N111-M114 HydrophobicContact CB-CG 4.14Å; N111-M114 WeakPolarHBondContact O-CB 3.47Å; N111-M114 PolarHBondContact O-N 3.31Å; N111-R413 PolarHBondContact ND2-N 3.04Å
112	R	63.2	Low	49.8	Very low	162 Å²	162	90.2 Å²	90.2	61%	0.611	45%	0.446	S	S	*	.	G	3₁₀ helix	trans	-44.7	-36.6	174.5	-174.8	-179.6	178.5	-172.9	1.5	113.7	V109 P110 M114 Y115 L120	V109-R112 PolarHBondContact O-N 3.2Å; P110-R112 VanDerWaalsContact C-N 3.33Å; P110-R112 PolarHBondContact O-N 3.33Å; R112-M114 PolarHBondContact O-N 2.97Å; R112-Y115 PolarHBondContact O-N 3.39Å; R112-L120 HydrophobicContact CB-CD2 4.5Å; R112-L120 HydrophobicContact CG-CD1 3.38Å; R112-L120 HydrophobicContact CG-CD2 3.8Å; R112-L120 HydrophobicContact CG-CG 4.25Å
113	E	67.1	Low	51	Low	144 Å²	144	84.9 Å²	84.9	67%	0.673	43%	0.425	S	S	*	.	G	3₁₀ helix	trans	-65.7	-21.5	-175.9	-66.1	167.9	-171.9	0	0	114.1	N111 K407 F643	N111-E113 PolarHBondContact O-N 2.81Å; E113-K407 WeakPolarHBondContact O-CD 3.35Å; E113-K407 VanDerWaalsContact O-CE 3.3Å; E113-K407 WeakPolarHBondContact O-CE 3.24Å; E113-K407 PolarHBondContact O-NZ 2.87Å; E113-F643 HydrophobicContact CB-CD1 4.25Å; E113-F643 HydrophobicContact CB-CE1 3.73Å; E113-F643 WeakPolarHBondContact O-CD1 3.22Å; E113-F643 WeakPolarHBondContact O-CE1 3.41Å
114	M	70.5	Confident	52.4	Low	2 Å²	2	80.5 Å²	80.5	1%	0.01	41%	0.407	C	S	.	.	G	3₁₀ helix	trans	-82.3	-18.7	-176.3	-59	-84.7	25.1	0	0	113.4	N111 R112 K407 T410 Y620 F643	N111-M114 HydrophobicContact CB-CG 4.14Å; N111-M114 WeakPolarHBondContact O-CB 3.47Å; N111-M114 PolarHBondContact O-N 3.31Å; R112-M114 PolarHBondContact O-N 2.97Å; M114-K407 HydrophobicContact CE-CB 4.49Å; M114-K407 PolarHBondContact O-N 3Å; M114-K407 VanDerWaalsContact O-N 3.15Å; M114-T410 HydrophobicContact CE-CG2 3.86Å; M114-T410 WeakPolarHBondContact CE-OG1 3.43Å; M114-T410 PolarHBondContact SD-OG1 3.27Å; M114-Y620 HydrophobicContact CE-CD1 4.45Å; M114-Y620 HydrophobicContact SD-CD1 3.67Å; M114-Y620 HydrophobicContact SD-CE1 3.86Å; M114-F643 HydrophobicContact CE-CD1 3.94Å; M114-F643 HydrophobicContact CE-CE1 3.27Å; M114-F643 HydrophobicContact CE-CE2 4.09Å; M114-F643 HydrophobicContact CE-CZ 3.37Å; M114-F643 HydrophobicContact CG-CE1 3.97Å; M114-F643 HydrophobicContact CG-CZ 4.1Å; M114-F643 HydrophobicContact SD-CE1 3.52Å; M114-F643 VanDerWaalsContact SD-CE1 3.52Å; M114-F643 HydrophobicContact SD-CE2 4.16Å; M114-F643 HydrophobicContact SD-CZ 3.2Å; M114-F643 WeakPolarHBondContact SD-CZ 3.31Å
115	Y	65.6	Low	53.6	Low	27 Å²	27	75.3 Å²	75.3	11%	0.106	38%	0.383	C	S	.	.	B	Isolated β-bridge	trans	-97.3	144.7	-179.3	-70	-80	0	0	0	109.8	R112 A119 L406 I468	R112-Y115 PolarHBondContact O-N 3.39Å; Y115-A119 HydrophobicContact CD1-CB 4.12Å; Y115-L406 HydrophobicContact CD1-CD2 3.6Å; Y115-L406 HydrophobicContact CE1-CD2 3.44Å; Y115-L406 VanDerWaalsContact CE1-CD2 3.44Å; Y115-I468 HydrophobicContact CE1-CD1 4.16Å
116	S	66.6	Low	54.6	Low	21 Å²	21	69.8 Å²	69.8	15%	0.147	36%	0.357	C	S	.	.			trans	-62.4	157.4	168.5	72.3	0	0	0	0	110.5	E118 A119 L120 H405	S116-E118 PolarHBondContact O-N 2.74Å; S116-A119 VanDerWaalsContact O-CB 3.31Å; S116-A119 WeakPolarHBondContact O-CB 3.44Å; S116-A119 PolarHBondContact O-N 3.03Å; S116-A119 WeakPolarHBondContact OG-CB 3.16Å; S116-A119 PolarHBondContact OG-N 3.01Å; S116-A119 VanDerWaalsContact OG-N 3.13Å; S116-L120 PolarHBondContact O-N 2.64Å; S116-L120 VanDerWaalsContact O-N 3.1Å; S116-H405 WeakPolarHBondContact CB-O 3.08Å; S116-H405 PolarHBondContact N-O 2.62Å; S116-H405 PolarHBondContact OG-O 2.91Å
117	E	65.6	Low	55.3	Low	153 Å²	153	68.9 Å²	68.9	72%	0.715	35%	0.351	S	S	*	.	H	α-helix	trans	-57.7	-38.1	178	-175.4	173.6	-177.4	0	0	111.7	L120 N121	E117-L120 WeakPolarHBondContact O-CB 3.48Å; E117-L120 PolarHBondContact O-N 2.86Å; E117-N121 PolarHBondContact O-N 3.34Å
118	E	62.1	Low	56	Low	22 Å²	22	70 Å²	70	10%	0.103	34%	0.344	C	S	.	.	H	α-helix	trans	-63.7	-42.7	173.3	178	175.1	-142.6	0	0	112.9	S116 L120 N121 L122 S395 S398	S116-E118 PolarHBondContact O-N 2.74Å; E118-L120 PolarHBondContact O-N 3.32Å; E118-N121 WeakPolarHBondContact O-CB 3.49Å; E118-N121 PolarHBondContact O-N 3.39Å; E118-N121 VanDerWaalsContact O-N 3.12Å; E118-L122 HydrophobicContact CG-CD1 3.95Å; E118-L122 PolarHBondContact O-N 3.06Å; E118-S395 WeakPolarHBondContact OE1-CB 3.46Å; E118-S395 PolarHBondContact OE1-OG 3Å; E118-S395 PolarHBondContact OE2-OG 3.12Å; E118-S398 VanDerWaalsContact CD-CB 3.42Å; E118-S398 WeakPolarHBondContact OE1-CB 3.4Å; E118-S398 WeakPolarHBondContact OE2-CA 3.41Å; E118-S398 WeakPolarHBondContact OE2-CB 3.43Å; E118-S398 PolarHBondContact OE2-N 3.24Å
119	A	61.5	Low	56.4	Low	4 Å²	4	66.4 Å²	66.4	3%	0.033	33%	0.331	C	S	.	.	H	α-helix	trans	-58.1	-38.3	176.2	0	0	0	0	0	111.6	Y115 S116 L122 L123 P404	Y115-A119 HydrophobicContact CD1-CB 4.12Å; S116-A119 VanDerWaalsContact O-CB 3.31Å; S116-A119 WeakPolarHBondContact O-CB 3.44Å; S116-A119 PolarHBondContact O-N 3.03Å; S116-A119 WeakPolarHBondContact OG-CB 3.16Å; S116-A119 PolarHBondContact OG-N 3.01Å; S116-A119 VanDerWaalsContact OG-N 3.13Å; A119-L122 PolarHBondContact O-N 2.78Å; A119-L123 WeakPolarHBondContact O-CB 3.46Å; A119-L123 PolarHBondContact O-N 2.96Å; A119-P404 HydrophobicContact CB-CB 3.43Å; A119-P404 VanDerWaalsContact CB-CB 3.43Å; A119-P404 HydrophobicContact CB-CG 4.37Å
120	L	61.7	Low	56.7	Low	28 Å²	28	67 Å²	67	15%	0.147	34%	0.337	C	S	.	.	H	α-helix	trans	-69.1	-40.6	175.8	-63.8	170.6	0	0	0	112.2	R112 S116 E117 E118 L122 L123 S124	R112-L120 HydrophobicContact CB-CD2 4.5Å; R112-L120 HydrophobicContact CG-CD1 3.38Å; R112-L120 HydrophobicContact CG-CD2 3.8Å; R112-L120 HydrophobicContact CG-CG 4.25Å; S116-L120 PolarHBondContact O-N 2.64Å; S116-L120 VanDerWaalsContact O-N 3.1Å; E117-L120 WeakPolarHBondContact O-CB 3.48Å; E117-L120 PolarHBondContact O-N 2.86Å; E118-L120 PolarHBondContact O-N 3.32Å; L120-L122 VanDerWaalsContact C-N 3.34Å; L120-L123 PolarHBondContact O-N 2.88Å; L120-S124 PolarHBondContact O-N 2.8Å
121	N	61.7	Low	57	Low	84 Å²	84	71.2 Å²	71.2	45%	0.449	35%	0.353	S	S	.	.	H	α-helix	trans	-61.2	-43.6	174.6	-75	-20.1	0	0	0	111	E117 E118 S124 Q125	E117-N121 PolarHBondContact O-N 3.34Å; E118-N121 WeakPolarHBondContact O-CB 3.49Å; E118-N121 PolarHBondContact O-N 3.39Å; E118-N121 VanDerWaalsContact O-N 3.12Å; N121-S124 PolarHBondContact O-N 2.75Å; N121-S124 PolarHBondContact O-OG 3.4Å; N121-Q125 WeakPolarHBondContact O-CG 3.33Å; N121-Q125 PolarHBondContact O-N 2.92Å
122	L	55	Low	56.4	Low	32 Å²	32	72.4 Å²	72.4	17%	0.168	36%	0.357	C	S	.	.	H	α-helix	trans	-67.5	-40.4	177.3	-73	159.1	0	0	0	112.8	E118 A119 L120 S124 Q125 Q126 V392 P404	E118-L122 HydrophobicContact CG-CD1 3.95Å; E118-L122 PolarHBondContact O-N 3.06Å; A119-L122 PolarHBondContact O-N 2.78Å; L120-L122 VanDerWaalsContact C-N 3.34Å; L122-S124 PolarHBondContact O-N 3.18Å; L122-Q125 CarbonylContact O-C 3.58Å; L122-Q125 PolarHBondContact O-N 2.99Å; L122-Q125 VanDerWaalsContact O-N 3.1Å; L122-Q126 PolarHBondContact O-N 3.37Å; L122-V392 HydrophobicContact CD1-CB 4.5Å; L122-V392 HydrophobicContact CD1-CG1 3.43Å; L122-V392 VanDerWaalsContact CD1-CG1 3.43Å; L122-V392 HydrophobicContact CD1-CG2 4.44Å; L122-V392 HydrophobicContact CD2-CG1 4.18Å; L122-V392 HydrophobicContact CG-CG1 4.43Å; L122-P404 HydrophobicContact CD1-CB 4.38Å
123	L	54	Low	55.2	Low	58 Å²	58	66.6 Å²	66.6	30%	0.304	34%	0.343	S	S	.	.	H	α-helix	trans	-60.5	-35.6	175.7	-151.7	78.7	0	0	0	110.9	V109 A119 L120 F467	V109-L123 HydrophobicContact CG1-CD2 4.41Å; A119-L123 WeakPolarHBondContact O-CB 3.46Å; A119-L123 PolarHBondContact O-N 2.96Å; L120-L123 PolarHBondContact O-N 2.88Å; L123-F467 HydrophobicContact CD1-CZ 4.08Å
124	S	57.7	Low	53.9	Low	69 Å²	69	63.8 Å²	63.8	48%	0.483	33%	0.33	S	S	.	.	H	α-helix	trans	-69.8	-42.1	172.9	80.4	0	0	0	0	112.3	L120 N121 L122 Q126 S127	L120-S124 PolarHBondContact O-N 2.8Å; N121-S124 PolarHBondContact O-N 2.75Å; N121-S124 PolarHBondContact O-OG 3.4Å; L122-S124 PolarHBondContact O-N 3.18Å; S124-Q126 VanDerWaalsContact C-N 3.31Å; S124-Q126 PolarHBondContact O-N 2.73Å; S124-S127 PolarHBondContact O-N 2.94Å; S124-S127 PolarHBondContact O-OG 3.04Å
125	Q	51.6	Low	52.6	Low	70 Å²	70	68.5 Å²	68.5	33%	0.327	36%	0.355	S	S	.	.	H	α-helix	trans	-68.8	-27	178.3	-71.8	175.3	17	0	0	113.2	N121 L122 S127 F128 Y129	N121-Q125 WeakPolarHBondContact O-CG 3.33Å; N121-Q125 PolarHBondContact O-N 2.92Å; L122-Q125 CarbonylContact O-C 3.58Å; L122-Q125 PolarHBondContact O-N 2.99Å; L122-Q125 VanDerWaalsContact O-N 3.1Å; Q125-S127 PolarHBondContact O-N 2.81Å; Q125-F128 WeakPolarHBondContact O-CA 3.36Å; Q125-F128 WeakPolarHBondContact O-CB 3.2Å; Q125-F128 PolarHBondContact O-N 3.28Å; Q125-Y129 HydrophobicContact CB-CD2 3.98Å; Q125-Y129 HydrophobicContact CB-CE2 3.74Å; Q125-Y129 HydrophobicContact CG-CE2 4.49Å; Q125-Y129 VanDerWaalsContact O-CD2 3.26Å; Q125-Y129 WeakPolarHBondContact O-CD2 3.41Å; Q125-Y129 PolarHBondContact O-N 3.42Å
126	Q	47.9	Very low	51.3	Low	77 Å²	77	72.8 Å²	72.8	36%	0.36	38%	0.38	S	S	.	.	H	α-helix	trans	-57.9	-31.5	176.7	-169.9	176.6	8.3	0	0	111.7	L122 S124 S130	L122-Q126 PolarHBondContact O-N 3.37Å; S124-Q126 VanDerWaalsContact C-N 3.31Å; S124-Q126 PolarHBondContact O-N 2.73Å; Q126-S130 WeakPolarHBondContact O-CB 3.34Å; Q126-S130 PolarHBondContact O-N 2.82Å
127	S	47.4	Very low	49.9	Very low	83 Å²	83	76.4 Å²	76.4	58%	0.58	40%	0.397	S	S	*	.	H	α-helix	trans	-64.3	-41.6	172.6	69.9	0	0	0	0	112.1	S124 Q125 E131	S124-S127 PolarHBondContact O-N 2.94Å; S124-S127 PolarHBondContact O-OG 3.04Å; Q125-S127 PolarHBondContact O-N 2.81Å; S127-E131 PolarHBondContact O-N 2.96Å
128	F	48.4	Very low	48.7	Very low	121 Å²	121	73.1 Å²	73.1	53%	0.531	39%	0.391	S	S	.	.	H	α-helix	trans	-68.9	-48.8	178.2	-171.7	-90.9	0	0	0	112	Q125 S130 E131 E132	Q125-F128 WeakPolarHBondContact O-CA 3.36Å; Q125-F128 WeakPolarHBondContact O-CB 3.2Å; Q125-F128 PolarHBondContact O-N 3.28Å; F128-S130 VanDerWaalsContact C-N 3.27Å; F128-S130 PolarHBondContact O-N 3.12Å; F128-E131 WeakPolarHBondContact O-CB 3.33Å; F128-E131 PolarHBondContact O-N 2.95Å; F128-E131 VanDerWaalsContact O-N 3.1Å; F128-E132 WeakPolarHBondContact CE1-OE2 3.37Å; F128-E132 PolarHBondContact O-N 3.09Å
129	Y	42.5	Very low	47.4	Very low	92 Å²	92	78.9 Å²	78.9	36%	0.361	42%	0.422	S	S	.	.	H	α-helix	trans	-66.3	-30.5	177.2	-68.1	-59.6	0	0	0	112.8	Q125 E131 E132 A133 L390	Q125-Y129 HydrophobicContact CB-CD2 3.98Å; Q125-Y129 HydrophobicContact CB-CE2 3.74Å; Q125-Y129 HydrophobicContact CG-CE2 4.49Å; Q125-Y129 VanDerWaalsContact O-CD2 3.26Å; Q125-Y129 WeakPolarHBondContact O-CD2 3.41Å; Q125-Y129 PolarHBondContact O-N 3.42Å; Y129-E131 VanDerWaalsContact C-N 3.32Å; Y129-E132 PolarHBondContact O-N 2.82Å; Y129-A133 VanDerWaalsContact O-CB 3.23Å; Y129-A133 WeakPolarHBondContact O-CB 3.47Å; Y129-A133 PolarHBondContact O-N 3.4Å; Y129-L390 HydrophobicContact CD1-CD2 4.49Å; Y129-L390 HydrophobicContact CD2-CD1 4.28Å; Y129-L390 HydrophobicContact CG-CD1 3.96Å
130	S	43.7	Very low	45.9	Very low	49 Å²	49	85.6 Å²	85.6	34%	0.343	46%	0.457	S	S	.	.	H	α-helix	trans	-67	-34.3	173	-174.9	0	0	0	0	111.9	Q126 F128 Q134	Q126-S130 WeakPolarHBondContact O-CB 3.34Å; Q126-S130 PolarHBondContact O-N 2.82Å; F128-S130 VanDerWaalsContact C-N 3.27Å; F128-S130 PolarHBondContact O-N 3.12Å; S130-Q134 VanDerWaalsContact O-CG 3.29Å; S130-Q134 WeakPolarHBondContact O-CG 3.41Å; S130-Q134 PolarHBondContact O-N 3.06Å
131	E	45.7	Very low	44.5	Very low	130 Å²	130	91.7 Å²	91.7	61%	0.607	49%	0.49	S	S	*	.	H	α-helix	trans	-70.1	-44.9	171.9	-80.8	-166.9	156	0	0	111.3	S127 F128 Y129 Q134 N135	S127-E131 PolarHBondContact O-N 2.96Å; F128-E131 WeakPolarHBondContact O-CB 3.33Å; F128-E131 PolarHBondContact O-N 2.95Å; F128-E131 VanDerWaalsContact O-N 3.1Å; Y129-E131 VanDerWaalsContact C-N 3.32Å; E131-Q134 PolarHBondContact O-N 3.02Å; E131-N135 PolarHBondContact O-N 3.33Å; E131-N135 PolarHBondContact O-ND2 3.16Å
132	E	44.6	Very low	43	Very low	93 Å²	93	95.3 Å²	95.3	44%	0.435	51%	0.51	S	S	.	.	H	α-helix	trans	-66.2	-42.1	-178.6	-167.7	143.1	-146.5	0	0	112.3	F128 Y129 Q134 N135 D136	F128-E132 WeakPolarHBondContact CE1-OE2 3.37Å; F128-E132 PolarHBondContact O-N 3.09Å; Y129-E132 PolarHBondContact O-N 2.82Å; E132-Q134 VanDerWaalsContact C-N 3.29Å; E132-Q134 PolarHBondContact O-N 3.36Å; E132-N135 WeakPolarHBondContact O-CB 3.02Å; E132-N135 PolarHBondContact O-N 3.21Å; E132-N135 VanDerWaalsContact O-N 3.09Å; E132-D136 PolarHBondContact O-N 3.44Å
133	A	37.3	Very low	41.7	Very low	40 Å²	40	97.8 Å²	97.8	33%	0.331	53%	0.53	S	S	.	.	H	α-helix	trans	-62.3	-35.7	173.5	0	0	0	0	0	112.5	Y129 N135 L137	Y129-A133 VanDerWaalsContact O-CB 3.23Å; Y129-A133 WeakPolarHBondContact O-CB 3.47Å; Y129-A133 PolarHBondContact O-N 3.4Å; A133-N135 VanDerWaalsContact C-N 3.34Å; A133-L137 VanDerWaalsContact O-CB 3.31Å; A133-L137 WeakPolarHBondContact O-CB 3.19Å; A133-L137 VanDerWaalsContact O-CD1 3.32Å; A133-L137 WeakPolarHBondContact O-CD1 3.38Å; A133-L137 VanDerWaalsContact O-CG 3.31Å; A133-L137 WeakPolarHBondContact O-CG 3.29Å; A133-L137 PolarHBondContact O-N 3.38Å
134	Q	40.8	Very low	40.5	Very low	85 Å²	85	102.5 Å²	102.5	40%	0.397	55%	0.553	S	S	.	*	H	α-helix	trans	-67.5	-35.9	173.6	-78.9	-173.6	21.1	0	0	112.3	S130 E131 E132 S138 Y263	S130-Q134 VanDerWaalsContact O-CG 3.29Å; S130-Q134 WeakPolarHBondContact O-CG 3.41Å; S130-Q134 PolarHBondContact O-N 3.06Å; E131-Q134 PolarHBondContact O-N 3.02Å; E132-Q134 VanDerWaalsContact C-N 3.29Å; E132-Q134 PolarHBondContact O-N 3.36Å; Q134-S138 PolarHBondContact O-N 3.46Å; Q134-Y263 PolarHBondContact NE2-OH 3.01Å
135	N	44.1	Very low	38.9	Very low	101 Å²	101	106.5 Å²	106.5	54%	0.54	56%	0.564	S	S	.	*	H	α-helix	trans	-68.9	-43.1	175.3	-70.7	-33.7	0	0	0	111.6	E131 E132 A133 S138	E131-N135 PolarHBondContact O-N 3.33Å; E131-N135 PolarHBondContact O-ND2 3.16Å; E132-N135 WeakPolarHBondContact O-CB 3.02Å; E132-N135 PolarHBondContact O-N 3.21Å; E132-N135 VanDerWaalsContact O-N 3.09Å; A133-N135 VanDerWaalsContact C-N 3.34Å; N135-S138 WeakPolarHBondContact O-CB 3.27Å; N135-S138 PolarHBondContact O-N 3.27Å; N135-S138 VanDerWaalsContact O-N 3.11Å; N135-S138 PolarHBondContact O-OG 3.32Å
136	D	37.9	Very low	37.7	Very low	117 Å²	117	108.5 Å²	108.5	63%	0.626	59%	0.585	S	S	*	*	H	α-helix	trans	-67.8	-36.8	178.4	-80.8	-11.7	0	0	0	112.5	E132 S138 L139	E132-D136 PolarHBondContact O-N 3.44Å; D136-S138 PolarHBondContact O-N 3.32Å; D136-L139 PolarHBondContact O-N 3.45Å
137	L	37.5	Very low	36.5	Very low	97 Å²	97	115.1 Å²	115.1	51%	0.508	61%	0.608	S	S	.	*	T	Hydrogen-bonded Turn	trans	-68.3	-12.7	173.7	-78.7	160.1	0	0	0	113.3	A133 L379	A133-L137 VanDerWaalsContact O-CB 3.31Å; A133-L137 WeakPolarHBondContact O-CB 3.19Å; A133-L137 VanDerWaalsContact O-CD1 3.32Å; A133-L137 WeakPolarHBondContact O-CD1 3.38Å; A133-L137 VanDerWaalsContact O-CG 3.31Å; A133-L137 WeakPolarHBondContact O-CG 3.29Å; A133-L137 PolarHBondContact O-N 3.38Å; L137-L379 HydrophobicContact CD1-CD2 4.22Å; L137-L379 HydrophobicContact CD2-CD2 4.18Å
138	S	39.9	Very low	35.3	Very low	84 Å²	84	115.7 Å²	115.7	59%	0.587	61%	0.612	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.3	-7.9	178.6	80.1	0	0	0	0	114.1	Q134 N135 D136 N140	Q134-S138 PolarHBondContact O-N 3.46Å; N135-S138 WeakPolarHBondContact O-CB 3.27Å; N135-S138 PolarHBondContact O-N 3.27Å; N135-S138 VanDerWaalsContact O-N 3.11Å; N135-S138 PolarHBondContact O-OG 3.32Å; D136-S138 PolarHBondContact O-N 3.32Å; S138-N140 PolarHBondContact O-N 3.13Å; S138-N140 VanDerWaalsContact O-N 3.12Å
139	L	33.4	Very low	34.2	Very low	142 Å²	142	116.6 Å²	116.6	74%	0.743	63%	0.628	S	S	*	*			trans	-79.5	98.4	171.4	-93	98.8	0	0	0	111.1	D136 D141	D136-L139 PolarHBondContact O-N 3.45Å; L139-D141 PolarHBondContact O-N 3.15Å; L139-D141 VanDerWaalsContact O-N 3.16Å
140	N	31.8	Very low	33.3	Very low	146 Å²	146	120.8 Å²	120.8	78%	0.781	65%	0.65	S	S	*	*			trans	-48.7	112.2	162.3	-93.7	-29.8	0	0	0	111	S138	S138-N140 PolarHBondContact O-N 3.13Å; S138-N140 VanDerWaalsContact O-N 3.12Å
141	D	31.7	Very low	32.5	Very low	155 Å²	155	121.6 Å²	121.6	83%	0.829	67%	0.667	S	S	*	*				-157.2	130.3	126.2	-107.2	-25.8	0	0	0	112.4	L139 S143	L139-D141 PolarHBondContact O-N 3.15Å; L139-D141 VanDerWaalsContact O-N 3.16Å; D141-S143 PolarHBondContact O-N 3.15Å
142	N	29.9	Very low	31.5	Very low	161 Å²	161	124.8 Å²	124.8	86%	0.861	68%	0.681	S	S	*	*			trans	-71.8	89.9	-175.3	-75.3	-50.2	0	0	0	111.5
143	S	26.9	Very low	30.7	Very low	84 Å²	84	126.6 Å²	126.6	59%	0.587	70%	0.699	S	S	*	*			trans	-127	102.9	159.4	63.2	0	0	0	0	111.3	D141 H145	D141-S143 PolarHBondContact O-N 3.15Å; S143-H145 PolarHBondContact O-CD2 3.34Å; S143-H145 PolarHBondContact O-N 3.21Å
144	I	28.7	Very low	30.2	Very low	157 Å²	157	128.4 Å²	128.4	81%	0.805	72%	0.722	S	S	*	*			trans	-63.2	101.4	-179.7	-59.8	167.7	0	0	0	109.5	C146	I144-C146 PolarHBondContact O-N 3.36Å
145	H	25.6	Very low	29.5	Very low	153 Å²	153	131.3 Å²	131.3	71%	0.708	74%	0.739	S	S	*	*			trans	-77.7	98.7	170.2	-74.7	-74.3	0	0	0	110	S143 Y147	S143-H145 PolarHBondContact O-CD2 3.34Å; S143-H145 PolarHBondContact O-N 3.21Å; H145-Y147 PolarHBondContact O-N 3.13Å
146	C	26.2	Very low	28.7	Very low	112 Å²	112	133.8 Å²	133.8	76%	0.757	75%	0.751	S	S	*	*			trans	-79.7	112.3	170.5	-69.9	0	0	0	0	109.9	I144 S148	I144-C146 PolarHBondContact O-N 3.36Å; C146-S148 PolarHBondContact O-N 3.19Å
147	Y	22.7	Very low	28.2	Very low	215 Å²	215	133.9 Å²	133.9	84%	0.843	75%	0.752	S	S	*	*			trans	-69.5	115.7	172	-68.6	-87.6	0	0	0	110.5	H145	H145-Y147 PolarHBondContact O-N 3.13Å
148	S	22.4	Very low	27.8	Very low	96 Å²	96	136.1 Å²	136.1	67%	0.671	76%	0.76	S	S	*	*			trans	-98.1	107.3	173	179.7	0	0	0	0	109.3	C146	C146-S148 PolarHBondContact O-N 3.19Å
149	T	25.3	Very low	27.5	Very low	140 Å²	140	135.6 Å²	135.6	86%	0.859	77%	0.767	S	S	*	*			trans	-94.9	92.3	165.1	60.3	0	0	0	0	107.9	G151	T149-G151 PolarHBondContact O-N 3.07Å
150	Q	23.4	Very low	27.3	Very low	180 Å²	180	134.3 Å²	134.3	84%	0.841	77%	0.765	S	S	*	*			trans	-77	87.9	-177.4	-163.3	157.4	1.4	0	0	109.5
151	G	26.6	Very low	27.4	Very low	66 Å²	66	132.1 Å²	132.1	68%	0.68	76%	0.761	S	S	*	*			trans	-80.7	120.2	168.2	0	0	0	0	0	109.9	T149 T153	T149-G151 PolarHBondContact O-N 3.07Å; G151-T153 PolarHBondContact O-N 2.99Å
152	E	24.5	Very low	27.2	Very low	197 Å²	197	131.7 Å²	131.7	92%	0.921	76%	0.759	S	S	*	*			trans	-56.3	126.4	-177.6	-82.8	-179.9	137.6	0	0	113.2
153	T	27.3	Very low	27.4	Very low	130 Å²	130	132.4 Å²	132.4	80%	0.798	75%	0.754	S	S	*	*			trans	-81	106.1	173.7	42	0	0	0	0	110.5	G151	G151-T153 PolarHBondContact O-N 2.99Å
154	G	26.9	Very low	27.6	Very low	79 Å²	79	131.6 Å²	131.6	81%	0.814	76%	0.759	S	S	*	*			trans	-84.8	108.1	161	0	0	0	0	0	110.7
155	L	26	Very low	28.1	Very low	146 Å²	146	130.4 Å²	130.4	76%	0.764	76%	0.759	S	S	*	*			trans	-49.9	144.3	179.5	-72	87.6	0	0	0	114.7
156	L	27.1	Very low	28.6	Very low	152 Å²	152	134.2 Å²	134.2	80%	0.796	77%	0.768	S	S	*	*				-166.3	117.5	115.3	-98.3	169.5	0	0	0	113.1
157	N	29.2	Very low	29.1	Very low	119 Å²	119	133.5 Å²	133.5	64%	0.636	76%	0.755	S	S	*	*			trans	-10.6	117	156.2	-64.9	-34.5	0	0	0	119	R54	R54-N157 PolarHBondContact NH1-O 3.35Å
158	H	27.6	Very low	30	Very low	145 Å²	145	125.9 Å²	125.9	67%	0.671	73%	0.733	S	S	*	*				-169.1	147.8	94	-143.6	-124.2	0	0	0	110.9	R54 V160	R54-H158 VanDerWaalsContact CZ-CG 3.47Å; R54-H158 PolarHBondContact NH1-CD2 2.62Å; R54-H158 PolarHBondContact NH2-CD2 2.89Å; R54-H158 PolarHBondContact NH2-CE1 3.41Å; R54-H158 PolarHBondContact NH2-ND1 3.37Å; R54-H158 PolarHBondContact NH2-NE2 3.12Å; H158-V160 PolarHBondContact O-N 3.38Å
159	G	34.9	Very low	30.9	Very low	72 Å²	72	125.8 Å²	125.8	74%	0.742	73%	0.733	S	S	*	*			trans	-60.4	92.7	178.6	0	0	0	0	0	113.2
160	V	29.4	Very low	32	Very low	115 Å²	115	124.3 Å²	124.3	70%	0.697	72%	0.719	S	S	*	*	S	Bend	trans	-137.8	134.8	134.7	-177.9	0	0	0	0	103.8	H158 N162	H158-V160 PolarHBondContact O-N 3.38Å; V160-N162 PolarHBondContact O-N 2.91Å
161	S	33.9	Very low	33.2	Very low	100 Å²	100	121.2 Å²	121.2	70%	0.699	70%	0.703	S	S	*	*			trans	-56.1	74.1	178	159.3	0	0	0	0	111.3	K163	S161-K163 PolarHBondContact O-N 3.49Å
162	N	27.2	Very low	33.8	Very low	147 Å²	147	122.5 Å²	122.5	79%	0.786	69%	0.693	S	S	*	*			trans	-79.5	83.1	168.7	-81.1	-6	0	0	0	106.1	V160 G164	V160-N162 PolarHBondContact O-N 2.91Å; N162-G164 PolarHBondContact O-N 2.87Å
163	K	33.9	Very low	34.6	Very low	176 Å²	176	118.3 Å²	118.3	77%	0.765	67%	0.672	S	S	*	*			trans	-55.4	87.4	155.7	-72.7	177.7	177.5	177	0	106.1	S161 T165	S161-K163 PolarHBondContact O-N 3.49Å; K163-T165 VanDerWaalsContact C-N 3.34Å; K163-T165 PolarHBondContact O-N 3.43Å
164	G	31.1	Very low	35.7	Very low	66 Å²	66	120 Å²	120	68%	0.68	66%	0.664	S	S	*	*			trans	-47.7	113.1	152.5	0	0	0	0	0	104.4	N162 R166	N162-G164 PolarHBondContact O-N 2.87Å; G164-R166 PolarHBondContact O-N 3.11Å
165	T	38.5	Very low	36.4	Very low	133 Å²	133	118.8 Å²	118.8	82%	0.816	65%	0.647	S	S	*	*			trans	-66.9	78.9	-170.8	15	0	0	0	0	108.4	K163 I167	K163-T165 VanDerWaalsContact C-N 3.34Å; K163-T165 PolarHBondContact O-N 3.43Å; T165-I167 PolarHBondContact O-N 3.23Å
166	R	36.4	Very low	37	Very low	233 Å²	233	116.2 Å²	116.2	88%	0.879	63%	0.633	S	S	*	*			trans	-41.4	113.1	156.7	-144.6	178.9	-165.3	-161.2	3.1	103.9	G164 S168	G164-R166 PolarHBondContact O-N 3.11Å; R166-S168 PolarHBondContact O-N 3Å
167	I	36.7	Very low	38.1	Very low	97 Å²	97	113.1 Å²	113.1	50%	0.497	62%	0.617	S	S	.	*			trans	-59.8	102.4	165.4	-67	-178.6	0	0	0	102.9	T165 K171 I172	T165-I167 PolarHBondContact O-N 3.23Å; I167-K171 HydrophobicContact CB-CD 4.45Å; I167-K171 HydrophobicContact CG1-CD 4.3Å; I167-K171 HydrophobicContact CG2-CB 3.66Å; I167-K171 HydrophobicContact CG2-CD 3.95Å; I167-K171 HydrophobicContact CG2-CG 3.8Å; I167-I172 HydrophobicContact CB-CG1 4.38Å; I167-I172 HydrophobicContact CG2-CB 4.49Å; I167-I172 HydrophobicContact CG2-CD1 4.35Å; I167-I172 HydrophobicContact CG2-CG1 3.42Å; I167-I172 VanDerWaalsContact CG2-CG1 3.42Å
168	S	41.2	Very low	39.2	Very low	55 Å²	55	112.4 Å²	112.4	39%	0.385	61%	0.609	S	S	.	*			trans	-54.2	150.5	-179.6	55.2	0	0	0	0	108	R166 N170 K171 I172	R166-S168 PolarHBondContact O-N 3Å; S168-N170 PolarHBondContact O-N 3.37Å; S168-K171 WeakPolarHBondContact O-CA 3.42Å; S168-K171 WeakPolarHBondContact O-CB 3.44Å; S168-K171 PolarHBondContact O-N 3.4Å; S168-K171 WeakPolarHBondContact OG-CB 3.32Å; S168-K171 PolarHBondContact OG-N 3.34Å; S168-I172 PolarHBondContact O-N 3.06Å; S168-I172 VanDerWaalsContact O-N 3.12Å
169	S	41.3	Very low	40.1	Very low	94 Å²	94	113.6 Å²	113.6	66%	0.657	61%	0.608	S	S	*	*	H	α-helix	trans	-46	-39.3	168.9	173.9	0	0	0	0	110.7	K171 I172 K173	S169-K171 VanDerWaalsContact C-N 3.29Å; S169-K171 PolarHBondContact O-N 3.42Å; S169-I172 PolarHBondContact O-N 2.96Å; S169-K173 WeakPolarHBondContact O-CB 3.31Å; S169-K173 PolarHBondContact O-N 3.06Å
170	N	49.9	Very low	40.6	Very low	108 Å²	108	112.6 Å²	112.6	58%	0.578	59%	0.588	S	S	*	*	H	α-helix	trans	-58.9	-29.2	173.3	-65.6	-14.4	0	0	0	115.7	S168 R174	S168-N170 PolarHBondContact O-N 3.37Å; N170-R174 WeakPolarHBondContact O-CB 3.34Å; N170-R174 PolarHBondContact O-N 3.03Å
171	K	48.2	Very low	41.8	Very low	116 Å²	116	112.4 Å²	112.4	50%	0.504	58%	0.578	S	S	.	*	H	α-helix	trans	-86.4	-35.1	179.3	-172.7	179	177.9	-175.2	0	111	I167 S168 S169 A175	I167-K171 HydrophobicContact CB-CD 4.45Å; I167-K171 HydrophobicContact CG1-CD 4.3Å; I167-K171 HydrophobicContact CG2-CB 3.66Å; I167-K171 HydrophobicContact CG2-CD 3.95Å; I167-K171 HydrophobicContact CG2-CG 3.8Å; S168-K171 WeakPolarHBondContact O-CA 3.42Å; S168-K171 WeakPolarHBondContact O-CB 3.44Å; S168-K171 PolarHBondContact O-N 3.4Å; S168-K171 WeakPolarHBondContact OG-CB 3.32Å; S168-K171 PolarHBondContact OG-N 3.34Å; S169-K171 VanDerWaalsContact C-N 3.29Å; S169-K171 PolarHBondContact O-N 3.42Å; K171-A175 WeakPolarHBondContact O-CB 3.35Å; K171-A175 PolarHBondContact O-N 3.34Å
172	I	39	Very low	42.7	Very low	92 Å²	92	113.6 Å²	113.6	47%	0.472	57%	0.57	S	S	.	*	H	α-helix	trans	-63.9	-50.4	167.5	-59.4	-176.9	0	0	0	109.2	I167 S168 S169 R174 A175 I176	I167-I172 HydrophobicContact CB-CG1 4.38Å; I167-I172 HydrophobicContact CG2-CB 4.49Å; I167-I172 HydrophobicContact CG2-CD1 4.35Å; I167-I172 HydrophobicContact CG2-CG1 3.42Å; I167-I172 VanDerWaalsContact CG2-CG1 3.42Å; S168-I172 PolarHBondContact O-N 3.06Å; S168-I172 VanDerWaalsContact O-N 3.12Å; S169-I172 PolarHBondContact O-N 2.96Å; I172-R174 VanDerWaalsContact C-N 3.33Å; I172-R174 PolarHBondContact O-N 2.7Å; I172-A175 CarbonylContact O-C 3.59Å; I172-A175 WeakPolarHBondContact O-CA 3.46Å; I172-A175 WeakPolarHBondContact O-CB 3.4Å; I172-A175 PolarHBondContact O-N 2.96Å; I172-I176 HydrophobicContact CG2-CD1 3.8Å; I172-I176 HydrophobicContact CG2-CG1 4.29Å; I172-I176 WeakPolarHBondContact O-CG1 3.31Å; I172-I176 PolarHBondContact O-N 2.8Å
173	K	40.3	Very low	43.4	Very low	110 Å²	110	112 Å²	112	48%	0.478	55%	0.554	S	S	.	*	H	α-helix	trans	-54.1	-49	175.5	-172.8	173	-177.6	172.6	0	111	S169 A175 I176 D177	S169-K173 WeakPolarHBondContact O-CB 3.31Å; S169-K173 PolarHBondContact O-N 3.06Å; K173-A175 VanDerWaalsContact C-N 3.28Å; K173-A175 PolarHBondContact O-N 3.08Å; K173-I176 PolarHBondContact O-N 3.46Å; K173-D177 WeakPolarHBondContact O-CB 3.35Å; K173-D177 PolarHBondContact O-N 3.38Å
174	R	50.9	Low	44.1	Very low	164 Å²	164	105.7 Å²	105.7	62%	0.619	53%	0.527	S	S	*	.	H	α-helix	trans	-61.5	-34.2	175.5	-159.8	-176.6	-60.9	143.9	-1.9	113	N170 I172 E178	N170-R174 WeakPolarHBondContact O-CB 3.34Å; N170-R174 PolarHBondContact O-N 3.03Å; I172-R174 VanDerWaalsContact C-N 3.33Å; I172-R174 PolarHBondContact O-N 2.7Å; R174-E178 WeakPolarHBondContact O-CB 3.08Å; R174-E178 PolarHBondContact O-N 2.89Å
175	A	42	Very low	45	Very low	55 Å²	55	104.9 Å²	104.9	46%	0.455	51%	0.507	S	S	.	.	H	α-helix	trans	-73.3	-37.6	175.9	0	0	0	0	0	112.7	K171 I172 K173 W179	K171-A175 WeakPolarHBondContact O-CB 3.35Å; K171-A175 PolarHBondContact O-N 3.34Å; I172-A175 CarbonylContact O-C 3.59Å; I172-A175 WeakPolarHBondContact O-CA 3.46Å; I172-A175 WeakPolarHBondContact O-CB 3.4Å; I172-A175 PolarHBondContact O-N 2.96Å; K173-A175 VanDerWaalsContact C-N 3.28Å; K173-A175 PolarHBondContact O-N 3.08Å; A175-W179 VanDerWaalsContact O-CB 3.31Å; A175-W179 WeakPolarHBondContact O-CB 3.47Å; A175-W179 PolarHBondContact O-N 3.45Å
176	I	38.4	Very low	45.6	Very low	92 Å²	92	103.9 Å²	103.9	47%	0.472	49%	0.488	S	S	.	.	H	α-helix	trans	-66.8	-48.8	172.4	-66.4	171.8	0	0	0	109.5	I172 K173 E178 W179 V180	I172-I176 HydrophobicContact CG2-CD1 3.8Å; I172-I176 HydrophobicContact CG2-CG1 4.29Å; I172-I176 WeakPolarHBondContact O-CG1 3.31Å; I172-I176 PolarHBondContact O-N 2.8Å; K173-I176 PolarHBondContact O-N 3.46Å; I176-E178 VanDerWaalsContact C-N 3.27Å; I176-E178 PolarHBondContact O-N 3.3Å; I176-W179 CarbonylContact O-C 3.37Å; I176-W179 WeakPolarHBondContact O-CA 3.46Å; I176-W179 WeakPolarHBondContact O-CB 3.49Å; I176-W179 PolarHBondContact O-N 3.4Å; I176-V180 HydrophobicContact CG2-CG2 4.15Å; I176-V180 WeakPolarHBondContact O-CB 3.27Å; I176-V180 WeakPolarHBondContact O-CG2 3.25Å; I176-V180 PolarHBondContact O-N 3.35Å
177	D	49.2	Very low	45.6	Very low	86 Å²	86	95.1 Å²	95.1	46%	0.46	46%	0.457	S	S	.	.	H	α-helix	trans	-59.4	-39	176.5	-64.2	-19.9	0	0	0	111	K173 K181	K173-D177 WeakPolarHBondContact O-CB 3.35Å; K173-D177 PolarHBondContact O-N 3.38Å; D177-K181 WeakPolarHBondContact O-CB 3.41Å; D177-K181 PolarHBondContact O-N 2.84Å
178	E	54	Low	45.8	Very low	104 Å²	104	95 Å²	95	49%	0.486	45%	0.453	S	S	.	.	H	α-helix	trans	-68.6	-36.9	174.6	-164.6	-170.5	152.4	0	0	111.9	R174 I176 K182	R174-E178 WeakPolarHBondContact O-CB 3.08Å; R174-E178 PolarHBondContact O-N 2.89Å; I176-E178 VanDerWaalsContact C-N 3.27Å; I176-E178 PolarHBondContact O-N 3.3Å; E178-K182 WeakPolarHBondContact O-CB 3.31Å; E178-K182 VanDerWaalsContact O-CG 3.26Å; E178-K182 WeakPolarHBondContact O-CG 3.46Å; E178-K182 PolarHBondContact O-N 3.18Å; E178-K182 WeakPolarHBondContact OE1-CE 3.48Å; E178-K182 IonicContact OE1-NZ 3.66Å; E178-K182 PolarHBondContact OE1-NZ 2.98Å
179	W	46.5	Very low	45.7	Very low	170 Å²	170	100 Å²	100	64%	0.644	47%	0.47	S	S	*	.	H	α-helix	trans	-69.3	-46.2	175	-178.8	88.2	0	0	0	112.1	A175 I176 K181 K182 Y183	A175-W179 VanDerWaalsContact O-CB 3.31Å; A175-W179 WeakPolarHBondContact O-CB 3.47Å; A175-W179 PolarHBondContact O-N 3.45Å; I176-W179 CarbonylContact O-C 3.37Å; I176-W179 WeakPolarHBondContact O-CA 3.46Å; I176-W179 WeakPolarHBondContact O-CB 3.49Å; I176-W179 PolarHBondContact O-N 3.4Å; W179-K181 VanDerWaalsContact C-N 3.35Å; W179-K181 PolarHBondContact O-N 3.25Å; W179-K182 PolarHBondContact O-N 3.19Å; W179-Y183 WeakPolarHBondContact O-CB 3.33Å; W179-Y183 PolarHBondContact O-N 3.36Å
180	V	44.7	Very low	45.4	Very low	51 Å²	51	97.6 Å²	97.6	31%	0.309	45%	0.45	S	S	.	.	H	α-helix	trans	-59.8	-46.8	174.7	171.2	0	0	0	0	109.5	I176 K182 Y183 E184	I176-V180 HydrophobicContact CG2-CG2 4.15Å; I176-V180 WeakPolarHBondContact O-CB 3.27Å; I176-V180 WeakPolarHBondContact O-CG2 3.25Å; I176-V180 PolarHBondContact O-N 3.35Å; V180-K182 PolarHBondContact O-N 3.32Å; V180-Y183 CarbonylContact O-C 3.59Å; V180-Y183 WeakPolarHBondContact O-CB 3.45Å; V180-Y183 PolarHBondContact O-N 3.41Å; V180-Y183 VanDerWaalsContact O-N 3.14Å; V180-E184 HydrophobicContact CG1-CG 4.26Å; V180-E184 WeakPolarHBondContact O-CB 3.32Å; V180-E184 WeakPolarHBondContact O-CG 3.42Å; V180-E184 PolarHBondContact O-N 3.21Å
181	K	55	Low	44.7	Very low	112 Å²	112	97.1 Å²	97.1	49%	0.487	44%	0.443	S	S	.	.	H	α-helix	trans	-63	-40.9	176.3	-171.7	178.1	-179.5	-177.2	0	112.5	D177 W179 Y183 E184 D185	D177-K181 WeakPolarHBondContact O-CB 3.41Å; D177-K181 PolarHBondContact O-N 2.84Å; W179-K181 VanDerWaalsContact C-N 3.35Å; W179-K181 PolarHBondContact O-N 3.25Å; K181-Y183 VanDerWaalsContact C-N 3.31Å; K181-Y183 PolarHBondContact O-N 2.85Å; K181-E184 PolarHBondContact O-N 3.1Å; K181-D185 VanDerWaalsContact O-CB 3.28Å; K181-D185 WeakPolarHBondContact O-CB 3.44Å; K181-D185 VanDerWaalsContact O-CG 3.25Å; K181-D185 PolarHBondContact O-N 3.09Å
182	K	51.3	Low	43.9	Very low	125 Å²	125	94.3 Å²	94.3	54%	0.543	45%	0.447	S	S	.	.	H	α-helix	trans	-62.2	-39.6	173.2	-81.6	173.3	-173.3	163.6	0	111.6	E178 W179 V180 W186	E178-K182 WeakPolarHBondContact O-CB 3.31Å; E178-K182 VanDerWaalsContact O-CG 3.26Å; E178-K182 WeakPolarHBondContact O-CG 3.46Å; E178-K182 PolarHBondContact O-N 3.18Å; E178-K182 WeakPolarHBondContact OE1-CE 3.48Å; E178-K182 IonicContact OE1-NZ 3.66Å; E178-K182 PolarHBondContact OE1-NZ 2.98Å; W179-K182 PolarHBondContact O-N 3.19Å; V180-K182 PolarHBondContact O-N 3.32Å; K182-W186 WeakPolarHBondContact O-CB 3.24Å; K182-W186 PolarHBondContact O-N 2.87Å
183	Y	42	Very low	43.5	Very low	114 Å²	114	95.4 Å²	95.4	45%	0.447	45%	0.451	S	S	.	.	H	α-helix	trans	-67.7	-43.7	175.8	178.8	-94.4	0	0	0	111.7	W179 V180 K181 W186 F187	W179-Y183 WeakPolarHBondContact O-CB 3.33Å; W179-Y183 PolarHBondContact O-N 3.36Å; V180-Y183 CarbonylContact O-C 3.59Å; V180-Y183 WeakPolarHBondContact O-CB 3.45Å; V180-Y183 PolarHBondContact O-N 3.41Å; V180-Y183 VanDerWaalsContact O-N 3.14Å; K181-Y183 VanDerWaalsContact C-N 3.31Å; K181-Y183 PolarHBondContact O-N 2.85Å; Y183-W186 HydrophobicContact CD2-CE3 4.29Å; Y183-W186 HydrophobicContact CE2-CE3 4.22Å; Y183-W186 HydrophobicContact CE2-CZ3 4.1Å; Y183-W186 CarbonylContact O-C 3.59Å; Y183-W186 PolarHBondContact O-N 3.28Å; Y183-F187 WeakPolarHBondContact O-CB 3.42Å; Y183-F187 PolarHBondContact O-N 3.29Å
184	E	48.8	Very low	43.5	Very low	43 Å²	43	91.8 Å²	91.8	20%	0.201	44%	0.437	C	S	.	.	H	α-helix	trans	-64.8	-44.8	175.8	-73.3	175.2	174.6	0	0	112	V180 K181 W186 F187 F188 V195	V180-E184 HydrophobicContact CG1-CG 4.26Å; V180-E184 WeakPolarHBondContact O-CB 3.32Å; V180-E184 WeakPolarHBondContact O-CG 3.42Å; V180-E184 PolarHBondContact O-N 3.21Å; K181-E184 PolarHBondContact O-N 3.1Å; E184-W186 VanDerWaalsContact C-N 3.35Å; E184-F187 PolarHBondContact O-N 2.98Å; E184-F188 WeakPolarHBondContact O-CB 3.32Å; E184-F188 PolarHBondContact O-N 3.09Å; E184-V195 HydrophobicContact CG-CB 4.14Å; E184-V195 HydrophobicContact CG-CG1 4.37Å; E184-V195 HydrophobicContact CG-CG2 4.34Å
185	D	50.7	Low	43	Very low	48 Å²	48	86.7 Å²	86.7	26%	0.257	42%	0.424	S	S	.	.	H	α-helix	trans	-66.7	-38.6	176.2	-70.8	-24	0	0	0	110.2	K181 Q189 R196	K181-D185 VanDerWaalsContact O-CB 3.28Å; K181-D185 WeakPolarHBondContact O-CB 3.44Å; K181-D185 VanDerWaalsContact O-CG 3.25Å; K181-D185 PolarHBondContact O-N 3.09Å; D185-Q189 VanDerWaalsContact O-CB 3.3Å; D185-Q189 WeakPolarHBondContact O-CB 3.48Å; D185-Q189 WeakPolarHBondContact O-CG 3.26Å; D185-Q189 PolarHBondContact O-N 3.5Å; D185-R196 IonicContact OD1-CZ 3.57Å; D185-R196 IonicContact OD1-NH1 2.62Å; D185-R196 IonicContact OD1-NH2 2.83Å; D185-R196 PolarHBondContact OD1-NH2 3.38Å
186	W	51.4	Low	42.8	Very low	113 Å²	113	88.7 Å²	88.7	43%	0.428	42%	0.42	S	S	.	.	H	α-helix	trans	-63.3	-42.5	171.1	175.4	90.9	0	0	0	111.2	K182 Y183 E184 Q189 N190 F191	K182-W186 WeakPolarHBondContact O-CB 3.24Å; K182-W186 PolarHBondContact O-N 2.87Å; Y183-W186 HydrophobicContact CD2-CE3 4.29Å; Y183-W186 HydrophobicContact CE2-CE3 4.22Å; Y183-W186 HydrophobicContact CE2-CZ3 4.1Å; Y183-W186 CarbonylContact O-C 3.59Å; Y183-W186 PolarHBondContact O-N 3.28Å; E184-W186 VanDerWaalsContact C-N 3.35Å; W186-Q189 PolarHBondContact O-N 2.74Å; W186-N190 PolarHBondContact NE1-ND2 2.88Å; W186-N190 VanDerWaalsContact NE1-ND2 3.18Å; W186-N190 WeakPolarHBondContact O-CB 3.48Å; W186-N190 PolarHBondContact O-N 3.4Å; W186-N190 PolarHBondContact O-ND2 2.98Å; W186-F191 HydrophobicContact CE3-CE2 4.49Å; W186-F191 AromaticContact CH2-CE2 3.9Å; W186-F191 HydrophobicContact CH2-CE2 3.9Å; W186-F191 HydrophobicContact CH2-CZ 4.32Å; W186-F191 AromaticContact CZ3-CE2 3.75Å; W186-F191 HydrophobicContact CZ3-CE2 3.75Å
187	F	37	Very low	43	Very low	49 Å²	49	88.5 Å²	88.5	22%	0.215	42%	0.423	C	S	.	.	H	α-helix	trans	-66.1	-44.1	179	-168.4	-88.4	0	0	0	110.8	Y183 E184 N190 F191 M193 V195	Y183-F187 WeakPolarHBondContact O-CB 3.42Å; Y183-F187 PolarHBondContact O-N 3.29Å; E184-F187 PolarHBondContact O-N 2.98Å; F187-N190 PolarHBondContact O-N 2.76Å; F187-F191 HydrophobicContact CB-CD2 4.41Å; F187-F191 HydrophobicContact CD1-CB 4.41Å; F187-F191 HydrophobicContact CD1-CD2 4.24Å; F187-F191 AromaticContact CD2-CD2 3.48Å; F187-F191 HydrophobicContact CD2-CD2 3.48Å; F187-F191 VanDerWaalsContact CD2-CD2 3.48Å; F187-F191 AromaticContact CD2-CE2 3.78Å; F187-F191 HydrophobicContact CD2-CE2 3.78Å; F187-F191 HydrophobicContact CD2-CG 4.46Å; F187-F191 HydrophobicContact CE1-CB 4.23Å; F187-F191 HydrophobicContact CE1-CD2 4.39Å; F187-F191 AromaticContact CE2-CD2 3.66Å; F187-F191 HydrophobicContact CE2-CD2 3.66Å; F187-F191 AromaticContact CE2-CE2 3.98Å; F187-F191 HydrophobicContact CE2-CE2 3.98Å; F187-F191 HydrophobicContact CE2-CG 4.29Å; F187-F191 AromaticContact CG-CD2 3.79Å; F187-F191 HydrophobicContact CG-CD2 3.79Å; F187-F191 HydrophobicContact CG-CE2 4.45Å; F187-F191 HydrophobicContact CZ-CB 4.41Å; F187-F191 HydrophobicContact CZ-CD2 4.12Å; F187-F191 HydrophobicContact CZ-CG 4.36Å; F187-F191 WeakPolarHBondContact O-CA 3.43Å; F187-F191 WeakPolarHBondContact O-CB 3.42Å; F187-F191 WeakPolarHBondContact O-CD2 3.12Å; F187-F191 PolarHBondContact O-N 2.95Å; F187-M193 HydrophobicContact CD1-CB 4.32Å; F187-M193 HydrophobicContact CE1-CB 3.85Å; F187-V195 HydrophobicContact CB-CG2 4.46Å; F187-V195 HydrophobicContact CD1-CG2 3.67Å; F187-V195 HydrophobicContact CE1-CG2 4.24Å; F187-V195 HydrophobicContact CG-CG2 4.26Å
188	F	40.3	Very low	42.2	Very low	95 Å²	95	87.9 Å²	87.9	42%	0.417	43%	0.43	S	S	.	.	H	α-helix	trans	-61.6	-44.5	173.8	178.8	-117.9	0	0	0	111.9	E184 N190 G192 M193 D194	E184-F188 WeakPolarHBondContact O-CB 3.32Å; E184-F188 PolarHBondContact O-N 3.09Å; F188-N190 PolarHBondContact O-N 3.06Å; F188-G192 WeakPolarHBondContact O-CA 3.3Å; F188-G192 PolarHBondContact O-N 2.93Å; F188-M193 WeakPolarHBondContact CA-O 3.41Å; F188-D194 HydrophobicContact CD2-CB 3.47Å; F188-D194 VanDerWaalsContact CD2-CB 3.47Å; F188-D194 VanDerWaalsContact CD2-N 3.32Å; F188-D194 HydrophobicContact CE2-CB 3.65Å; F188-D194 HydrophobicContact CG-CB 4.17Å
189	Q	39.6	Very low	41.1	Very low	158 Å²	158	87.1 Å²	87.1	74%	0.738	44%	0.437	S	S	*	.	H	α-helix	trans	-66.4	-34.5	178.7	-75.8	174.1	21.9	0	0	113.1	D185 W186	D185-Q189 VanDerWaalsContact O-CB 3.3Å; D185-Q189 WeakPolarHBondContact O-CB 3.48Å; D185-Q189 WeakPolarHBondContact O-CG 3.26Å; D185-Q189 PolarHBondContact O-N 3.5Å; W186-Q189 PolarHBondContact O-N 2.74Å
190	N	35	Very low	40.2	Very low	45 Å²	45	85.9 Å²	85.9	24%	0.241	44%	0.438	C	S	.	.	H	α-helix	trans	-93.5	-27.7	-175.6	-73.3	-79.6	0	0	0	114	W186 F187 F188	W186-N190 PolarHBondContact NE1-ND2 2.88Å; W186-N190 VanDerWaalsContact NE1-ND2 3.18Å; W186-N190 WeakPolarHBondContact O-CB 3.48Å; W186-N190 PolarHBondContact O-N 3.4Å; W186-N190 PolarHBondContact O-ND2 2.98Å; F187-N190 PolarHBondContact O-N 2.76Å; F188-N190 PolarHBondContact O-N 3.06Å
191	F	33.7	Very low	39.4	Very low	97 Å²	97	88.9 Å²	88.9	43%	0.425	46%	0.461	S	S	.	.	H	α-helix	trans	-121.1	-4	-174.6	-55.7	-76.6	0	0	0	113.7	W186 F187 M193 P243	W186-F191 HydrophobicContact CE3-CE2 4.49Å; W186-F191 AromaticContact CH2-CE2 3.9Å; W186-F191 HydrophobicContact CH2-CE2 3.9Å; W186-F191 HydrophobicContact CH2-CZ 4.32Å; W186-F191 AromaticContact CZ3-CE2 3.75Å; W186-F191 HydrophobicContact CZ3-CE2 3.75Å; F187-F191 HydrophobicContact CB-CD2 4.41Å; F187-F191 HydrophobicContact CD1-CB 4.41Å; F187-F191 HydrophobicContact CD1-CD2 4.24Å; F187-F191 AromaticContact CD2-CD2 3.48Å; F187-F191 HydrophobicContact CD2-CD2 3.48Å; F187-F191 VanDerWaalsContact CD2-CD2 3.48Å; F187-F191 AromaticContact CD2-CE2 3.78Å; F187-F191 HydrophobicContact CD2-CE2 3.78Å; F187-F191 HydrophobicContact CD2-CG 4.46Å; F187-F191 HydrophobicContact CE1-CB 4.23Å; F187-F191 HydrophobicContact CE1-CD2 4.39Å; F187-F191 AromaticContact CE2-CD2 3.66Å; F187-F191 HydrophobicContact CE2-CD2 3.66Å; F187-F191 AromaticContact CE2-CE2 3.98Å; F187-F191 HydrophobicContact CE2-CE2 3.98Å; F187-F191 HydrophobicContact CE2-CG 4.29Å; F187-F191 AromaticContact CG-CD2 3.79Å; F187-F191 HydrophobicContact CG-CD2 3.79Å; F187-F191 HydrophobicContact CG-CE2 4.45Å; F187-F191 HydrophobicContact CZ-CB 4.41Å; F187-F191 HydrophobicContact CZ-CD2 4.12Å; F187-F191 HydrophobicContact CZ-CG 4.36Å; F187-F191 WeakPolarHBondContact O-CA 3.43Å; F187-F191 WeakPolarHBondContact O-CB 3.42Å; F187-F191 WeakPolarHBondContact O-CD2 3.12Å; F187-F191 PolarHBondContact O-N 2.95Å; F191-M193 PolarHBondContact O-N 3.23Å; F191-P243 HydrophobicContact CD1-CG 4.21Å; F191-P243 HydrophobicContact CE1-CB 4.37Å; F191-P243 HydrophobicContact CE1-CG 3.6Å; F191-P243 HydrophobicContact CZ-CG 4.05Å
192	G	31.1	Very low	38.1	Very low	58 Å²	58	91.1 Å²	91.1	60%	0.598	48%	0.477	S	S	*	.	S	Bend	trans	68.9	0.4	178.6	0	0	0	0	0	115.1	F188	F188-G192 WeakPolarHBondContact O-CA 3.3Å; F188-G192 PolarHBondContact O-N 2.93Å
193	M	31.3	Very low	37	Very low	114 Å²	114	94 Å²	94	56%	0.562	49%	0.492	S	S	*	.			trans	-95	112.9	177.3	-85	-171.7	67.1	0	0	110.3	F187 F188 F191 V195	F187-M193 HydrophobicContact CD1-CB 4.32Å; F187-M193 HydrophobicContact CE1-CB 3.85Å; F188-M193 WeakPolarHBondContact CA-O 3.41Å; F191-M193 PolarHBondContact O-N 3.23Å; M193-V195 PolarHBondContact O-N 3.45Å
194	D	40.4	Very low	36.2	Very low	34 Å²	34	94.1 Å²	94.1	18%	0.182	51%	0.509	C	S	.	.			trans	-81.8	103.5	172	177.6	13.9	0	0	0	107.5	F188 R196 T197 A198	F188-D194 HydrophobicContact CD2-CB 3.47Å; F188-D194 VanDerWaalsContact CD2-CB 3.47Å; F188-D194 VanDerWaalsContact CD2-N 3.32Å; F188-D194 HydrophobicContact CE2-CB 3.65Å; F188-D194 HydrophobicContact CG-CB 4.17Å; D194-R196 PolarHBondContact O-N 2.92Å; D194-R196 VanDerWaalsContact OD1-CB 3.29Å; D194-R196 WeakPolarHBondContact OD1-CB 3.32Å; D194-R196 PolarHBondContact OD1-N 3.16Å; D194-R196 VanDerWaalsContact OD1-N 3.07Å; D194-R196 IonicContact OD1-NE 2.69Å; D194-R196 PolarHBondContact OD1-NE 2.9Å; D194-R196 IonicContact OD1-NH2 3.03Å; D194-T197 VanDerWaalsContact CB-OG1 3.25Å; D194-T197 WeakPolarHBondContact CB-OG1 3.23Å; D194-T197 PolarHBondContact O-N 3.49Å; D194-T197 PolarHBondContact O-OG1 2.87Å; D194-T197 VanDerWaalsContact O-OG1 3.07Å; D194-A198 PolarHBondContact O-N 2.79Å
195	V	40.4	Very low	35.1	Very low	57 Å²	57	101.6 Å²	101.6	35%	0.345	54%	0.541	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.4	-29.1	178.8	-175.9	0	0	0	0	110.7	E184 F187 M193	E184-V195 HydrophobicContact CG-CB 4.14Å; E184-V195 HydrophobicContact CG-CG1 4.37Å; E184-V195 HydrophobicContact CG-CG2 4.34Å; F187-V195 HydrophobicContact CB-CG2 4.46Å; F187-V195 HydrophobicContact CD1-CG2 3.67Å; F187-V195 HydrophobicContact CE1-CG2 4.24Å; F187-V195 HydrophobicContact CG-CG2 4.26Å; M193-V195 PolarHBondContact O-N 3.45Å
196	R	38.8	Very low	34	Very low	97 Å²	97	105.1 Å²	105.1	37%	0.366	57%	0.567	S	S	.	*	T	Hydrogen-bonded Turn	trans	-75.2	-38.6	179	-59.2	176.1	-75.8	-145.2	-12.8	113.4	D185 D194	D185-R196 IonicContact OD1-CZ 3.57Å; D185-R196 IonicContact OD1-NH1 2.62Å; D185-R196 IonicContact OD1-NH2 2.83Å; D185-R196 PolarHBondContact OD1-NH2 3.38Å; D194-R196 PolarHBondContact O-N 2.92Å; D194-R196 VanDerWaalsContact OD1-CB 3.29Å; D194-R196 WeakPolarHBondContact OD1-CB 3.32Å; D194-R196 PolarHBondContact OD1-N 3.16Å; D194-R196 VanDerWaalsContact OD1-N 3.07Å; D194-R196 IonicContact OD1-NE 2.69Å; D194-R196 PolarHBondContact OD1-NE 2.9Å; D194-R196 IonicContact OD1-NH2 3.03Å
197	T	41.8	Very low	32.7	Very low	88 Å²	88	107.3 Å²	107.3	54%	0.54	58%	0.582	S	S	.	*	G	3₁₀ helix	trans	-80.3	-19.7	178.5	38.5	0	0	0	0	114.2	D194 S199 H200	D194-T197 VanDerWaalsContact CB-OG1 3.25Å; D194-T197 WeakPolarHBondContact CB-OG1 3.23Å; D194-T197 PolarHBondContact O-N 3.49Å; D194-T197 PolarHBondContact O-OG1 2.87Å; D194-T197 VanDerWaalsContact O-OG1 3.07Å; T197-S199 PolarHBondContact O-N 3.17Å; T197-H200 PolarHBondContact O-N 3.41Å; T197-H200 VanDerWaalsContact O-N 3.16Å
198	A	33.2	Very low	32.3	Very low	73 Å²	73	111.5 Å²	111.5	60%	0.603	61%	0.612	S	S	*	*	G	3₁₀ helix	trans	-59.8	-13.3	172.1	0	0	0	0	0	112.8	D194	D194-A198 PolarHBondContact O-N 2.79Å
199	S	30	Very low	31.5	Very low	89 Å²	89	115.2 Å²	115.2	62%	0.622	63%	0.631	S	S	*	*	G	3₁₀ helix	trans	-96.8	-7.1	-179.4	-43.1	0	0	0	0	115	T197 S201	T197-S199 PolarHBondContact O-N 3.17Å; S199-S201 PolarHBondContact O-N 3.38Å
200	H	26.8	Very low	30.9	Very low	143 Å²	143	114.6 Å²	114.6	66%	0.662	63%	0.631	S	S	*	*			trans	-102.2	89.8	-175.3	-68.1	-54	0	0	0	111.4	T197 I202	T197-H200 PolarHBondContact O-N 3.41Å; T197-H200 VanDerWaalsContact O-N 3.16Å; H200-I202 PolarHBondContact O-N 3.44Å
201	S	28.7	Very low	30.5	Very low	115 Å²	115	121.8 Å²	121.8	80%	0.804	66%	0.66	S	S	*	*			trans	-55.5	115.1	167.4	50.7	0	0	0	0	110.8	S199 E203	S199-S201 PolarHBondContact O-N 3.38Å; S201-E203 PolarHBondContact O-N 2.9Å
202	I	27.4	Very low	30	Very low	159 Å²	159	126.4 Å²	126.4	82%	0.815	68%	0.683	S	S	*	*			trans	-71.8	110.6	175.1	-64.1	171.2	0	0	0	108.7	H200 S204	H200-I202 PolarHBondContact O-N 3.44Å; I202-S204 PolarHBondContact O-N 3.38Å
203	E	27.9	Very low	29.6	Very low	185 Å²	185	129.5 Å²	129.5	86%	0.864	70%	0.696	S	S	*	*			trans	-68.5	112.9	172.4	-168.3	175.3	-179.1	0	0	109.6	S201 K205	S201-E203 PolarHBondContact O-N 2.9Å; E203-K205 PolarHBondContact O-N 3.4Å
204	S	26.3	Very low	29.3	Very low	116 Å²	116	130 Å²	130	81%	0.811	71%	0.711	S	S	*	*			trans	-69.6	116.8	-177.8	55.5	0	0	0	0	112	I202	I202-S204 PolarHBondContact O-N 3.38Å
205	K	26.3	Very low	28.4	Very low	200 Å²	200	138 Å²	138	87%	0.87	75%	0.747	S	S	*	*			trans	-118.6	146.3	164.9	-123.2	-177.7	175.8	167.9	0	109.9	E203	E203-K205 PolarHBondContact O-N 3.4Å
206	P	26.6	Very low	27.5	Very low	123 Å²	123	140.3 Å²	140.3	80%	0.799	77%	0.766	S	S	*	*			trans	-81.3	149	-156.9	31.9	-31.5	0	0	0	114
207	E	24.6	Very low	26.6	Very low	158 Å²	158	144 Å²	144	74%	0.738	79%	0.791	S	S	*	*			trans	-65.3	152.1	-168.4	-63.6	169.4	131.5	0	0	115.7
208	T	27.7	Very low	25.7	Very low	138 Å²	138	147.3 Å²	147.3	85%	0.847	80%	0.804	S	S	*	*			trans	-147.7	104.9	154.8	-27.2	0	0	0	0	110.6
209	E	24.9	Very low	25.2	Very low	173 Å²	173	147 Å²	147	81%	0.808	81%	0.807	S	S	*	*			trans	30.7	122.2	150.8	-65.2	-169.2	163.9	0	0	124.9
210	L	26.5	Very low	24.8	Very low	144 Å²	144	147.7 Å²	147.7	75%	0.754	82%	0.818	S	S	*	*				76.1	112.6	128.5	-112.3	92	0	0	0	123.2
211	K	26.8	Very low	24.6	Very low	196 Å²	196	150 Å²	150	85%	0.852	83%	0.83	S	S	*	*				165.4	139.3	103	-92.3	-178.5	179.7	175.6	0	113.4
212	Q	22.1	Very low	24.2	Very low	194 Å²	194	150.3 Å²	150.3	91%	0.907	83%	0.827	S	S	*	*			trans	-76.8	146.3	-176.4	-68.6	164	-33.3	0	0	115.1
213	S	24	Very low	24	Very low	123 Å²	123	151.2 Å²	151.2	86%	0.86	83%	0.833	S	S	*	*			trans	-167.1	141.1	139.3	56.3	0	0	0	0	112.6
214	S	23.3	Very low	23.7	Very low	126 Å²	126	151 Å²	151	88%	0.881	83%	0.829	S	S	*	*			trans	-74.3	144.8	-162.9	-17.9	0	0	0	0	116.6
215	E	22.2	Very low	23.6	Very low	200 Å²	200	152.3 Å²	152.3	94%	0.935	83%	0.827	S	S	*	*			trans	-88.5	147.8	173.1	-72.9	178.3	144.9	0	0	113.2
216	S	22.2	Very low	23.4	Very low	107 Å²	107	147.7 Å²	147.7	75%	0.748	82%	0.816	S	S	*	*			trans	-119.5	128.7	175.5	60.3	0	0	0	0	111.1
217	I	20.4	Very low	23.2	Very low	173 Å²	173	149.4 Å²	149.4	89%	0.887	82%	0.818	S	S	*	*			trans	-68.8	130.8	176.3	-63.8	161.8	0	0	0	110.7
218	I	22.5	Very low	23.2	Very low	159 Å²	159	147.7 Å²	147.7	82%	0.815	82%	0.824	S	S	*	*			trans	-119.9	128.6	169.1	-65.4	179	0	0	0	109.1
219	G	22.3	Very low	22.9	Very low	65 Å²	65	146.3 Å²	146.3	67%	0.67	82%	0.819	S	S	*	*			trans	-90.2	179.8	-164.9	0	0	0	0	0	117.6
220	A	21.2	Very low	22.8	Very low	104 Å²	104	145.9 Å²	145.9	86%	0.86	82%	0.823	S	S	*	*			trans	-59.5	144.5	-174.2	0	0	0	0	0	115.2
221	Q	21.9	Very low	22.8	Very low	192 Å²	192	144.8 Å²	144.8	90%	0.897	83%	0.827	S	S	*	*			trans	-109.9	117.1	167.3	-69.1	-175.7	6.6	0	0	110
222	T	21.8	Very low	22.6	Very low	121 Å²	121	144 Å²	144	74%	0.742	83%	0.827	S	S	*	*			trans	-73	131.2	170.4	40.3	0	0	0	0	111.4
223	L	21.8	Very low	22.7	Very low	179 Å²	179	143.4 Å²	143.4	94%	0.937	83%	0.826	S	S	*	*			trans	-104.4	119.7	170.9	-92.2	154.6	0	0	0	110.3
224	F	23	Very low	22.8	Very low	179 Å²	179	145 Å²	145	79%	0.785	82%	0.824	S	S	*	*			trans	-101.7	137.9	170.6	-78.6	-91.6	0	0	0	110
225	N	23.3	Very low	22.9	Very low	144 Å²	144	146 Å²	146	77%	0.77	82%	0.82	S	S	*	*			trans	161.6	114.1	131.3	-106.4	1.8	0	0	0	112
226	T	22.2	Very low	23.1	Very low	104 Å²	104	141.2 Å²	141.2	64%	0.638	81%	0.805	S	S	*	*				89.5	108.5	86.9	57.4	0	0	0	0	116.6
227	N	23	Very low	23.3	Very low	159 Å²	159	142 Å²	142	85%	0.85	81%	0.81	S	S	*	*			trans	49.7	112.8	133	-58.1	-8.1	0	0	0	121.4
228	S	23.1	Very low	23.5	Very low	122 Å²	122	139 Å²	139	85%	0.853	80%	0.8	S	S	*	*				-159.2	135.9	129.6	57.9	0	0	0	0	110.9
229	S	22.6	Very low	23.7	Very low	108 Å²	108	137.8 Å²	137.8	76%	0.755	80%	0.799	S	S	*	*			trans	-71.9	163.5	-169.5	-36	0	0	0	0	115.4
230	D	23.6	Very low	23.9	Very low	165 Å²	165	137.5 Å²	137.5	88%	0.882	79%	0.787	S	S	*	*			trans	82.2	89.9	165	-57.1	-20.1	0	0	0	118.3
231	S	25	Very low	24	Very low	121 Å²	121	140.6 Å²	140.6	85%	0.846	78%	0.783	S	S	*	*			trans	-163.9	139.3	143.3	65.9	0	0	0	0	113.2
232	Q	23.7	Very low	24.1	Very low	180 Å²	180	135 Å²	135	84%	0.841	77%	0.77	S	S	*	*			trans	-37.9	143.6	172.4	-66.4	160.1	-17.7	0	0	114.9	L234	Q232-L234 VanDerWaalsContact C-N 3.3Å; Q232-L234 PolarHBondContact O-N 2.86Å
233	M	23.5	Very low	24.3	Very low	181 Å²	181	131.7 Å²	131.7	89%	0.892	75%	0.75	S	S	*	*			trans	-65	82.8	174.5	-68.1	-147.3	75.9	0	0	111.6
234	L	26	Very low	24.3	Very low	155 Å²	155	128.9 Å²	128.9	81%	0.812	74%	0.74	S	S	*	*			trans	-76.9	111.3	152.1	-80.4	158.8	0	0	0	106.3	Q232 P236	Q232-L234 VanDerWaalsContact C-N 3.3Å; Q232-L234 PolarHBondContact O-N 2.86Å; L234-P236 WeakPolarHBondContact O-CD 3.35Å
235	N	25	Very low	24.3	Very low	149 Å²	149	125.3 Å²	125.3	80%	0.797	74%	0.738	S	S	*	*			trans	-51.8	106.3	166.5	-94.5	-20.7	0	0	0	107.7	C237	N235-C237 PolarHBondContact O-N 3.31Å
236	P	26.6	Very low	24.3	Very low	98 Å²	98	127 Å²	127	64%	0.636	73%	0.734	S	S	*	*			trans	-71.2	125.4	-179.2	28.4	-27.3	0	0	0	106.5	L234 V238	L234-P236 WeakPolarHBondContact O-CD 3.35Å; P236-V238 VanDerWaalsContact C-N 3.32Å; P236-V238 WeakPolarHBondContact O-CG2 3.4Å; P236-V238 PolarHBondContact O-N 2.68Å
237	C	26.8	Very low	24.4	Very low	124 Å²	124	130.8 Å²	130.8	84%	0.838	74%	0.743	S	S	*	*			trans	-55.1	101.7	163.8	-178.7	0	0	0	0	107	N235 V239	N235-C237 PolarHBondContact O-N 3.31Å; C237-V239 PolarHBondContact O-N 3.12Å; C237-V239 VanDerWaalsContact O-N 3.07Å
238	V	25	Very low	24.4	Very low	111 Å²	111	130 Å²	130	67%	0.673	74%	0.736	S	S	*	*			trans	-76.1	98.2	-177.7	-179.4	0	0	0	0	107.4	P236 S240	P236-V238 VanDerWaalsContact C-N 3.32Å; P236-V238 WeakPolarHBondContact O-CG2 3.4Å; P236-V238 PolarHBondContact O-N 2.68Å; V238-S240 PolarHBondContact O-N 3.47Å; V238-S240 VanDerWaalsContact O-N 3.15Å
239	V	26.6	Very low	24.4	Very low	133 Å²	133	127.8 Å²	127.8	81%	0.806	72%	0.72	S	S	*	*			trans	-64.2	108.3	161.9	-179.4	0	0	0	0	106.1	C237	C237-V239 PolarHBondContact O-N 3.12Å; C237-V239 VanDerWaalsContact O-N 3.07Å
240	S	26.1	Very low	24.4	Very low	59 Å²	59	132.3 Å²	132.3	41%	0.413	73%	0.729	S	S	.	*	P	Polyproline II helix	trans	-76.3	150.2	-167.8	63.8	0	0	0	0	112.9	V238	V238-S240 PolarHBondContact O-N 3.47Å; V238-S240 VanDerWaalsContact O-N 3.15Å
241	H	23.9	Very low	24.4	Very low	168 Å²	168	128.1 Å²	128.1	78%	0.778	72%	0.724	S	S	*	*	P	Polyproline II helix	trans	-66.2	163.2	-174.5	-69.6	-82.9	0	0	0	114.4
242	A	24	Very low	24.3	Very low	75 Å²	75	127 Å²	127	62%	0.62	72%	0.716	S	S	*	*	P	Polyproline II helix	trans	-50.6	135.7	-176.3	0	0	0	0	0	113.4
243	P	25.1	Very low	24.3	Very low	51 Å²	51	126.4 Å²	126.4	33%	0.331	72%	0.718	S	S	.	*	P	Polyproline II helix	trans	-70.7	131.4	-171.1	25.8	-32.3	0	0	0	112.8	F191 S245	F191-P243 HydrophobicContact CD1-CG 4.21Å; F191-P243 HydrophobicContact CE1-CB 4.37Å; F191-P243 HydrophobicContact CE1-CG 3.6Å; F191-P243 HydrophobicContact CZ-CG 4.05Å; P243-S245 PolarHBondContact O-N 3.46Å
244	V	22.1	Very low	24.3	Very low	120 Å²	120	123.2 Å²	123.2	73%	0.727	71%	0.712	S	S	*	*	P	Polyproline II helix	trans	-68	120.8	171.4	179.7	0	0	0	0	109.9	K459	V244-K459 PolarHBondContact O-NZ 2.86Å; V244-K459 VanDerWaalsContact O-NZ 3.15Å
245	S	23.7	Very low	24.3	Very low	105 Å²	105	120.4 Å²	120.4	73%	0.734	70%	0.702	S	S	*	*	P	Polyproline II helix	trans	-66.3	140.6	175.9	53.8	0	0	0	0	112.3	P243	P243-S245 PolarHBondContact O-N 3.46Å
246	Y	23.6	Very low	24.9	Very low	179 Å²	179	121.5 Å²	121.5	70%	0.702	71%	0.706	S	S	*	*	P	Polyproline II helix	trans	-84.4	133.3	169.1	-63.9	-72.7	0	0	0	110.1	I248 K459	Y246-I248 PolarHBondContact O-N 2.86Å; Y246-K459 WeakPolarHBondContact OH-CE 3.49Å; Y246-K459 PolarHBondContact OH-NZ 3.19Å
247	F	23	Very low	25.2	Very low	184 Å²	184	123.2 Å²	123.2	81%	0.807	71%	0.709	S	S	*	*			trans	-80.3	104.9	177.5	-163	-92.6	0	0	0	109.9
248	I	23.7	Very low	25.3	Very low	141 Å²	141	120.5 Å²	120.5	72%	0.723	70%	0.702	S	S	*	*			trans	-96.4	118.9	175.9	-58.2	172.2	0	0	0	107.1	Y246 E250	Y246-I248 PolarHBondContact O-N 2.86Å; I248-E250 PolarHBondContact O-N 3.29Å
249	P	22.5	Very low	25.4	Very low	77 Å²	77	125.1 Å²	125.1	50%	0.5	71%	0.708	S	S	.	*			trans	-72.7	118.1	-177.8	31.2	-33.1	0	0	0	110.1	G251 R427	P249-G251 PolarHBondContact O-N 3.45Å; P249-G251 VanDerWaalsContact O-N 3.13Å; P249-R427 VanDerWaalsContact CD-NH2 3.31Å; P249-R427 VanDerWaalsContact CG-NH2 3.28Å
250	E	22.9	Very low	25.3	Very low	203 Å²	203	127.4 Å²	127.4	95%	0.949	71%	0.707	S	S	*	*	S	Bend	trans	-65.7	100.6	173.3	-63.9	-176.9	163.7	0	0	109.8	I248	I248-E250 PolarHBondContact O-N 3.29Å
251	G	23.2	Very low	25.3	Very low	76 Å²	76	127.5 Å²	127.5	78%	0.784	71%	0.708	S	S	*	*			trans	-172.6	8.5	-178	0	0	0	0	0	118.2	P249	P249-G251 PolarHBondContact O-N 3.45Å; P249-G251 VanDerWaalsContact O-N 3.13Å
252	S	23	Very low	25.5	Very low	97 Å²	97	121.9 Å²	121.9	68%	0.678	69%	0.686	S	S	*	*			trans	-161.3	126.4	176.5	54.5	0	0	0	0	108.8
253	L	24.8	Very low	25.6	Very low	168 Å²	168	122.3 Å²	122.3	88%	0.88	67%	0.673	S	S	*	*			cis	-166.4	136.8	8.6	-110.5	149.2	0	0	0	105.3
254	C	22.7	Very low	25.7	Very low	114 Å²	114	128.8 Å²	128.8	77%	0.77	69%	0.692	S	S	*	*			trans	-72.3	145.6	165.3	-56.2	0	0	0	0	109.6
255	T	26.3	Very low	26	Very low	96 Å²	96	128 Å²	128	59%	0.589	69%	0.692	S	S	*	*			trans	-66.3	150	164.6	49.7	0	0	0	0	109.5	D257 G258	T255-D257 PolarHBondContact O-N 3.41Å; T255-G258 PolarHBondContact O-N 2.89Å
256	I	36.7	Very low	26.2	Very low	172 Å²	172	130 Å²	130	88%	0.882	69%	0.693	S	S	*	*	T	Hydrogen-bonded Turn	trans	-53.8	-27	-172.1	-71.1	171.7	0	0	0	113
257	D	34.2	Very low	26.1	Very low	134 Å²	134	124.6 Å²	124.6	72%	0.717	68%	0.679	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.5	11.2	-178.4	-64.4	-23.7	0	0	0	114.7	T255 R259	T255-D257 PolarHBondContact O-N 3.41Å; D257-R259 WeakPolarHBondContact O-CG 3.47Å; D257-R259 PolarHBondContact O-N 2.9Å
258	G	28.4	Very low	26.3	Very low	67 Å²	67	119.7 Å²	119.7	69%	0.691	67%	0.665	S	S	*	*			trans	62.9	17.9	168.4	0	0	0	0	0	116.2	T255	T255-G258 PolarHBondContact O-N 2.89Å
259	R	26.7	Very low	26.4	Very low	208 Å²	208	118.2 Å²	118.2	79%	0.785	67%	0.668	S	S	*	*			trans	-103.3	120	-180	-64.7	-178.7	-171.7	-171.6	1.4	110.7	D257	D257-R259 WeakPolarHBondContact O-CG 3.47Å; D257-R259 PolarHBondContact O-N 2.9Å
260	F	25.7	Very low	26.8	Very low	182 Å²	182	121.9 Å²	121.9	80%	0.798	68%	0.676	S	S	*	*			trans	-85.9	132.8	176.1	-173.3	-98.9	0	0	0	110.3
261	S	24.5	Very low	26.9	Very low	60 Å²	60	116.2 Å²	116.2	42%	0.42	65%	0.646	S	S	.	*			trans	-125.1	126.2	175.8	-179.9	0	0	0	0	109.8	Y263	S261-Y263 PolarHBondContact O-N 3.2Å; S261-Y263 VanDerWaalsContact O-N 3.13Å
262	P	28.7	Very low	27	Very low	50 Å²	50	120 Å²	120	33%	0.325	65%	0.648	S	S	.	*	G	3₁₀ helix	trans	-75.2	3	-168.6	28.9	-34.4	0	0	0	115.7	Y264 S265	P262-Y264 PolarHBondContact O-N 3.29Å; P262-S265 PolarHBondContact O-N 3.09Å; P262-S265 PolarHBondContact O-OG 2.77Å
263	Y	27.1	Very low	27.1	Very low	85 Å²	85	118.3 Å²	118.3	33%	0.333	64%	0.636	S	S	.	*	G	3₁₀ helix	trans	-67.5	-10.7	175.2	-73.9	-78.6	0	0	0	114.4	Q134 S261 S265 L266 F372	Q134-Y263 PolarHBondContact NE2-OH 3.01Å; S261-Y263 PolarHBondContact O-N 3.2Å; S261-Y263 VanDerWaalsContact O-N 3.13Å; Y263-S265 PolarHBondContact O-N 2.72Å; Y263-L266 PolarHBondContact O-N 3.25Å; Y263-F372 HydrophobicContact CE2-CB 4.16Å; Y263-F372 WeakPolarHBondContact OH-CB 3.29Å; Y263-F372 WeakPolarHBondContact OH-CD2 3.46Å; Y263-F372 WeakPolarHBondContact OH-CG 3.29Å
264	Y	26.5	Very low	27.2	Very low	187 Å²	187	115.5 Å²	115.5	73%	0.733	63%	0.628	S	S	*	*	G	3₁₀ helix	trans	-76.8	-7.4	176.3	-82.1	-85.1	0	0	0	114.3	P262 L266 V267	P262-Y264 PolarHBondContact O-N 3.29Å; Y264-L266 PolarHBondContact O-N 2.92Å; Y264-V267 PolarHBondContact O-N 2.65Å
265	S	27.8	Very low	27.3	Very low	104 Å²	104	115.2 Å²	115.2	73%	0.727	62%	0.623	S	S	*	*	G	3₁₀ helix	trans	-73.5	-11.2	172.3	-41	0	0	0	0	113	P262 Y263	P262-S265 PolarHBondContact O-N 3.09Å; P262-S265 PolarHBondContact O-OG 2.77Å; Y263-S265 PolarHBondContact O-N 2.72Å
266	L	27.3	Very low	27.3	Very low	147 Å²	147	119 Å²	119	77%	0.77	64%	0.639	S	S	*	*	G	3₁₀ helix	trans	-99.8	3.2	176.9	-68.8	173.9	0	0	0	113.6	Y263 Y264	Y263-L266 PolarHBondContact O-N 3.25Å; Y264-L266 PolarHBondContact O-N 2.92Å
267	V	23.4	Very low	26.8	Very low	65 Å²	65	117.9 Å²	117.9	39%	0.394	63%	0.634	S	S	.	*	S	Bend	trans	-115.3	104.5	170.2	-171	0	0	0	0	107.4	Y264 S269 Y271	Y264-V267 PolarHBondContact O-N 2.65Å; V267-S269 PolarHBondContact O-N 3.19Å; V267-Y271 HydrophobicContact CG1-CD1 4.24Å; V267-Y271 HydrophobicContact CG1-CD2 3.71Å; V267-Y271 HydrophobicContact CG1-CE2 4.17Å; V267-Y271 HydrophobicContact CG1-CG 3.77Å
268	P	25.9	Very low	26.2	Very low	80 Å²	80	119.4 Å²	119.4	52%	0.519	64%	0.642	S	S	.	*			trans	-50.7	139.8	-179	-25.9	33.2	0	0	0	111.4	F270 Y271	P268-F270 PolarHBondContact O-N 3.33Å; P268-Y271 VanDerWaalsContact O-CD2 3.26Å; P268-Y271 WeakPolarHBondContact O-CD2 3.19Å
269	S	26.9	Very low	26	Very low	111 Å²	111	120.4 Å²	120.4	78%	0.776	64%	0.644	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.5	21.2	-165.9	50.1	0	0	0	0	118.2	V267	V267-S269 PolarHBondContact O-N 3.19Å
270	F	30.5	Very low	26	Very low	154 Å²	154	116.7 Å²	116.7	68%	0.675	65%	0.647	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.1	-2.3	177.9	-60.1	-74.6	0	0	0	113.9	P268 L272	P268-F270 PolarHBondContact O-N 3.33Å; F270-L272 PolarHBondContact O-N 3.18Å
271	Y	24.7	Very low	25.9	Very low	83 Å²	83	116.1 Å²	116.1	33%	0.325	65%	0.651	S	S	.	*			trans	-89.8	70	-178.6	-70	-113.3	0	0	0	111.6	V109 P110 V267 P268	V109-Y271 HydrophobicContact CB-CE1 4.11Å; V109-Y271 HydrophobicContact CG1-CE1 3.85Å; V109-Y271 VanDerWaalsContact CG1-OH 3.24Å; V109-Y271 WeakPolarHBondContact CG1-OH 3.46Å; V109-Y271 HydrophobicContact CG2-CE1 4.32Å; P110-Y271 VanDerWaalsContact CD-CD1 3.45Å; P110-Y271 VanDerWaalsContact CD-CE1 3.41Å; P110-Y271 HydrophobicContact CG-CD1 3.94Å; P110-Y271 HydrophobicContact CG-CD2 3.75Å; P110-Y271 HydrophobicContact CG-CE1 3.93Å; P110-Y271 HydrophobicContact CG-CE2 3.71Å; P110-Y271 HydrophobicContact CG-CG 3.85Å; V267-Y271 HydrophobicContact CG1-CD1 4.24Å; V267-Y271 HydrophobicContact CG1-CD2 3.71Å; V267-Y271 HydrophobicContact CG1-CE2 4.17Å; V267-Y271 HydrophobicContact CG1-CG 3.77Å; P268-Y271 VanDerWaalsContact O-CD2 3.26Å; P268-Y271 WeakPolarHBondContact O-CD2 3.19Å
272	L	26.4	Very low	25.8	Very low	156 Å²	156	116.6 Å²	116.6	82%	0.817	67%	0.666	S	S	*	*			trans	-126.1	102.6	162	-69.6	174.1	0	0	0	108.6	F270 P274	F270-L272 PolarHBondContact O-N 3.18Å; L272-P274 WeakPolarHBondContact O-CD 3.38Å
273	S	23.2	Very low	25.5	Very low	62 Å²	62	121.9 Å²	121.9	43%	0.434	69%	0.69	S	S	.	*			trans	-80.7	122.8	176.2	-72.6	0	0	0	0	110.8	R108 T275	R108-S273 WeakPolarHBondContact CB-OG 3.49Å; R108-S273 WeakPolarHBondContact CD-OG 3.47Å; S273-T275 PolarHBondContact O-N 2.92Å
274	P	28.5	Very low	25.3	Very low	108 Å²	108	127 Å²	127	70%	0.701	72%	0.717	S	S	*	*			trans	-94.2	73.9	178.7	35.9	-30.1	0	0	0	110.2	L272	L272-P274 WeakPolarHBondContact O-CD 3.38Å
275	T	24	Very low	25	Very low	108 Å²	108	122.3 Å²	122.3	66%	0.663	71%	0.711	S	S	*	*			trans	-145.3	64.6	170.6	50.7	0	0	0	0	111.3	S273	S273-T275 PolarHBondContact O-N 2.92Å
276	L	26.1	Very low	24.7	Very low	177 Å²	177	124.7 Å²	124.7	93%	0.927	72%	0.716	S	S	*	*			trans	-122.3	43.8	152.4	-110	147	0	0	0	108.5
277	N	25.6	Very low	24.4	Very low	148 Å²	148	126 Å²	126	79%	0.791	72%	0.72	S	S	*	*			trans	-91.3	120.4	157.3	-88.5	-12.1	0	0	0	106.8
278	N	23.2	Very low	24.3	Very low	166 Å²	166	128.4 Å²	128.4	89%	0.888	74%	0.735	S	S	*	*			trans	117.9	65.6	167	-56.9	-22.4	0	0	0	115.3
279	A	22.6	Very low	24	Very low	88 Å²	88	129.5 Å²	129.5	73%	0.727	75%	0.751	S	S	*	*			trans	-150.4	117.1	133.2	0	0	0	0	0	108.2	L281	A279-L281 PolarHBondContact O-N 3.37Å
280	P	27.4	Very low	23.8	Very low	129 Å²	129	131.5 Å²	131.5	84%	0.838	75%	0.746	S	S	*	*			trans	-83.9	107	-169.4	32.8	-30.4	0	0	0	110
281	L	24.2	Very low	23.4	Very low	171 Å²	171	131.7 Å²	131.7	90%	0.895	75%	0.754	S	S	*	*			trans	-126.7	93.8	163.6	-81	166.5	0	0	0	109.3	A279	A279-L281 PolarHBondContact O-N 3.37Å
282	G	22.2	Very low	23.4	Very low	70 Å²	70	137.1 Å²	137.1	72%	0.722	78%	0.78	S	S	*	*			trans	49.8	95.9	139.8	0	0	0	0	0	118.4	H284	G282-H284 PolarHBondContact O-N 3.28Å
283	L	22.3	Very low	23.4	Very low	160 Å²	160	133.3 Å²	133.3	84%	0.838	78%	0.778	S	S	*	*			trans	-29.1	122.4	147.2	-77.2	140.2	0	0	0	113.7
284	H	22.3	Very low	23.6	Very low	194 Å²	194	137.8 Å²	137.8	90%	0.898	80%	0.802	S	S	*	*			trans	-119.7	91.3	140.5	-90.8	-86.4	0	0	0	108.1	G282 N286	G282-H284 PolarHBondContact O-N 3.28Å; H284-N286 PolarHBondContact O-N 2.81Å
285	S	20.9	Very low	23.6	Very low	87 Å²	87	135.6 Å²	135.6	61%	0.608	80%	0.799	S	S	*	*			trans	-64.2	115	163.4	50.9	0	0	0	0	109.3
286	N	20.8	Very low	23.7	Very low	154 Å²	154	137.3 Å²	137.3	82%	0.824	81%	0.809	S	S	*	*			trans	166.4	93.5	146.1	-85.1	-13.5	0	0	0	109.2	H284	H284-N286 PolarHBondContact O-N 2.81Å
287	M	21.9	Very low	23.5	Very low	174 Å²	174	133.8 Å²	133.8	86%	0.857	80%	0.799	S	S	*	*				-178	132.8	116.7	-99.5	-172.5	89.7	0	0	110.6
288	T	21.7	Very low	23.3	Very low	117 Å²	117	134.3 Å²	134.3	72%	0.718	80%	0.801	S	S	*	*			trans	-69.4	145.3	-176.4	35.9	0	0	0	0	113.4
289	A	19.2	Very low	23.5	Very low	102 Å²	102	137 Å²	137	84%	0.843	80%	0.801	S	S	*	*			trans	-46.9	136.2	172.4	0	0	0	0	0	114.3
290	F	22.2	Very low	23.9	Very low	153 Å²	153	137.7 Å²	137.7	67%	0.671	80%	0.797	S	S	*	*			trans	-110.4	144.2	167.5	-95.9	-90.1	0	0	0	110.8
291	N	21.9	Very low	23.6	Very low	158 Å²	158	138.9 Å²	138.9	85%	0.845	80%	0.797	S	S	*	*			trans	-107	140.9	-164.5	-159	2.7	0	0	0	109.9
292	F	24.7	Very low	23.6	Very low	198 Å²	198	138.9 Å²	138.9	87%	0.868	79%	0.792	S	S	*	*			trans	-84.7	145.3	-170	-82.5	-96.8	0	0	0	113.5
293	G	25.8	Very low	23.7	Very low	75 Å²	75	141.9 Å²	141.9	77%	0.773	80%	0.796	S	S	*	*			trans	-125.4	159	179.9	0	0	0	0	0	113.6
294	V	29.3	Very low	23.7	Very low	157 Å²	157	143.5 Å²	143.5	95%	0.952	80%	0.797	S	S	*	*			trans	-106.1	154.4	-160.1	171.8	0	0	0	0	113.3
295	G	28.1	Very low	23.7	Very low	62 Å²	62	141.1 Å²	141.1	64%	0.639	79%	0.789	S	S	*	*			trans	137.7	144	154.8	0	0	0	0	0	112.5
296	V	25.7	Very low	23.8	Very low	144 Å²	144	142.5 Å²	142.5	87%	0.873	80%	0.796	S	S	*	*			cis	-161.8	150.6	28.8	170.8	0	0	0	0	110.1
297	S	21.6	Very low	23.8	Very low	102 Å²	102	141.3 Å²	141.3	71%	0.713	80%	0.795	S	S	*	*			trans	-38.8	148.1	170.5	-41.5	0	0	0	0	119.1
298	L	22.1	Very low	23.8	Very low	160 Å²	160	139.3 Å²	139.3	84%	0.838	79%	0.793	S	S	*	*			trans	176.1	113.6	131.3	-92.7	158.6	0	0	0	110.8
299	Y	27.4	Very low	23.8	Very low	223 Å²	223	140.6 Å²	140.6	88%	0.875	79%	0.794	S	S	*	*				165.6	145	128.9	-94.8	-80.4	0	0	0	110.6
300	P	29.6	Very low	23.9	Very low	101 Å²	101	143 Å²	143	66%	0.656	79%	0.792	S	S	*	*			trans	-101	151.2	-148.1	37.6	-33.1	0	0	0	115.8	H302	P300-H302 PolarHBondContact O-N 2.94Å
301	N	22.7	Very low	24	Very low	154 Å²	154	141.4 Å²	141.4	82%	0.824	80%	0.795	S	S	*	*			trans	-19.4	107.7	163	-67.5	-25.2	0	0	0	116.6
302	H	23.5	Very low	24	Very low	172 Å²	172	139.9 Å²	139.9	80%	0.796	79%	0.792	S	S	*	*			trans	-100.2	103.7	150.4	-84.3	-68.2	0	0	0	109.2	P300 F304	P300-H302 PolarHBondContact O-N 2.94Å; H302-F304 PolarHBondContact O-N 3.36Å; H302-F304 VanDerWaalsContact O-N 3.13Å
303	T	23.8	Very low	23.9	Very low	133 Å²	133	138.7 Å²	138.7	82%	0.816	79%	0.791	S	S	*	*			trans	-60.9	105.1	173.2	-28.5	0	0	0	0	109.4
304	F	22.6	Very low	23.8	Very low	193 Å²	193	140.6 Å²	140.6	85%	0.846	79%	0.789	S	S	*	*			trans	-78.8	117.8	172	-98.4	-94.7	0	0	0	109.5	H302	H302-F304 PolarHBondContact O-N 3.36Å; H302-F304 VanDerWaalsContact O-N 3.13Å
305	I	23	Very low	23.4	Very low	145 Å²	145	141.1 Å²	141.1	74%	0.744	79%	0.787	S	S	*	*			trans	-88	120.3	167.5	-62.5	172.5	0	0	0	106.9	T307	I305-T307 PolarHBondContact O-N 3.05Å
306	P	22.1	Very low	23.2	Very low	116 Å²	116	142.1 Å²	142.1	75%	0.753	79%	0.789	S	S	*	*			trans	-78.3	112.9	-176.4	30.2	-31.4	0	0	0	110.1	T308	P306-T308 PolarHBondContact O-N 3.11Å
307	T	21.1	Very low	23	Very low	128 Å²	128	141.8 Å²	141.8	79%	0.785	79%	0.787	S	S	*	*			trans	-84.1	103.7	171.2	-14	0	0	0	0	108.9	I305 I309	I305-T307 PolarHBondContact O-N 3.05Å; T307-I309 PolarHBondContact O-N 3.03Å
308	T	21.7	Very low	23	Very low	133 Å²	133	143 Å²	143	82%	0.816	79%	0.79	S	S	*	*			trans	-65.1	108.1	167.8	22.6	0	0	0	0	109.6	P306 N310	P306-T308 PolarHBondContact O-N 3.11Å; T308-N310 PolarHBondContact O-N 2.94Å
309	I	22.2	Very low	22.9	Very low	144 Å²	144	140.1 Å²	140.1	74%	0.738	78%	0.783	S	S	*	*			trans	-87.8	99.8	172.3	-61.6	175	0	0	0	107.4	T307 T311	T307-I309 PolarHBondContact O-N 3.03Å; I309-T311 HydrophobicContact CG2-CG2 4.12Å; I309-T311 PolarHBondContact O-N 3.44Å
310	N	21.5	Very low	22.5	Very low	151 Å²	151	140.8 Å²	140.8	81%	0.807	79%	0.786	S	S	*	*			trans	-73.6	97.4	167.2	-101.7	-8.1	0	0	0	109	T308 T312	T308-N310 PolarHBondContact O-N 2.94Å; N310-T312 PolarHBondContact O-N 3.36Å
311	T	24.3	Very low	22.1	Very low	121 Å²	121	141.6 Å²	141.6	74%	0.742	79%	0.794	S	S	*	*			trans	-86.2	81.4	168.3	31.3	0	0	0	0	110.3	I309 M313	I309-T311 HydrophobicContact CG2-CG2 4.12Å; I309-T311 PolarHBondContact O-N 3.44Å; T311-M313 PolarHBondContact O-N 2.88Å
312	T	21.4	Very low	22	Very low	125 Å²	125	138.7 Å²	138.7	77%	0.767	79%	0.786	S	S	*	*			trans	-72.3	108.1	159.4	36.8	0	0	0	0	109.1	N310 P314	N310-T312 PolarHBondContact O-N 3.36Å; T312-P314 WeakPolarHBondContact O-CD 3.44Å
313	M	22.1	Very low	21.9	Very low	174 Å²	174	138.6 Å²	138.6	86%	0.857	79%	0.791	S	S	*	*			trans	-65.6	121.3	171.5	-78.5	-73.3	-167.3	0	0	110.5	T311	T311-M313 PolarHBondContact O-N 2.88Å
314	P	24.1	Very low	21.8	Very low	114 Å²	114	141.1 Å²	141.1	74%	0.74	79%	0.791	S	S	*	*			trans	-87	116.4	173.4	31.4	-26.1	0	0	0	110.3	T312 A316	T312-P314 WeakPolarHBondContact O-CD 3.44Å; P314-A316 PolarHBondContact O-N 2.97Å; P314-A316 VanDerWaalsContact O-N 3.09Å
315	N	21.9	Very low	21.8	Very low	169 Å²	169	136.9 Å²	136.9	90%	0.904	79%	0.791	S	S	*	*			trans	-62.5	101.6	163.6	-82.8	-21.9	0	0	0	109.4
316	A	23.8	Very low	21.7	Very low	83 Å²	83	136.3 Å²	136.3	69%	0.686	79%	0.79	S	S	*	*			trans	-117.8	94	168.6	0	0	0	0	0	109.3	P314 V318	P314-A316 PolarHBondContact O-N 2.97Å; P314-A316 VanDerWaalsContact O-N 3.09Å; A316-V318 PolarHBondContact O-N 3.27Å
317	V	20.7	Very low	21.8	Very low	137 Å²	137	140.4 Å²	140.4	83%	0.83	80%	0.799	S	S	*	*			trans	-71.1	109.8	168.2	176	0	0	0	0	107.5
318	V	22.5	Very low	21.8	Very low	127 Å²	127	142.6 Å²	142.6	77%	0.77	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-99.7	122.7	174.9	179.1	0	0	0	0	108.8	A316	A316-V318 PolarHBondContact O-N 3.27Å
319	S	19.3	Very low	21.8	Very low	99 Å²	99	140.1 Å²	140.1	69%	0.692	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-81.5	139.3	-172.4	-56.7	0	0	0	0	112.5
320	Y	19.1	Very low	21.8	Very low	238 Å²	238	137.9 Å²	137.9	93%	0.933	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-69.3	128	175.9	-82.3	-96.4	0	0	0	111.4
321	S	20.3	Very low	21.8	Very low	118 Å²	118	136.5 Å²	136.5	83%	0.825	81%	0.811	S	S	*	*			trans	-116.7	101.9	170.7	-50.4	0	0	0	0	109
322	S	20.8	Very low	21.6	Very low	93 Å²	93	137.6 Å²	137.6	65%	0.65	82%	0.818	S	S	*	*			trans	-69.2	129	167.4	51.2	0	0	0	0	110.2
323	N	21.5	Very low	21.7	Very low	169 Å²	169	137.4 Å²	137.4	90%	0.904	82%	0.816	S	S	*	*			trans	-160.9	110.1	147	-91.8	-29	0	0	0	110.6
324	F	22.2	Very low	21.6	Very low	186 Å²	186	134.7 Å²	134.7	82%	0.816	81%	0.814	S	S	*	*			trans	-80.9	143.3	175.6	-81.3	-101.3	0	0	0	111.1
325	A	22.3	Very low	21.6	Very low	104 Å²	104	138.1 Å²	138.1	86%	0.86	82%	0.818	S	S	*	*			trans	-154.8	115	150.5	0	0	0	0	0	110.4
326	N	21.7	Very low	21.8	Very low	133 Å²	133	135.7 Å²	135.7	71%	0.711	81%	0.811	S	S	*	*			trans	-68.9	142.7	-179.9	-66.4	-37.1	0	0	0	112.6
327	Q	22.6	Very low	21.9	Very low	203 Å²	203	137.9 Å²	137.9	95%	0.949	82%	0.818	S	S	*	*			trans	-154.2	110.2	147.5	-111.2	171.6	66.5	0	0	110.4
328	L	22.2	Very low	22.1	Very low	174 Å²	174	138.2 Å²	138.2	91%	0.911	82%	0.815	S	S	*	*			trans	-84	131.5	-180	-77.4	132.1	0	0	0	110.4
329	G	21.9	Very low	22.2	Very low	80 Å²	80	139 Å²	139	83%	0.825	82%	0.821	S	S	*	*			trans	-146.5	100.1	171.2	0	0	0	0	0	110.2
330	A	21.4	Very low	22.5	Very low	98 Å²	98	140.1 Å²	140.1	81%	0.81	82%	0.823	S	S	*	*			trans	-77.2	135	-178.3	0	0	0	0	0	111.8
331	S	21.4	Very low	22.7	Very low	122 Å²	122	133.8 Å²	133.8	85%	0.853	81%	0.814	S	S	*	*			trans	-148.7	116.1	160.4	-81.1	0	0	0	0	109.7
332	T	21.2	Very low	22.9	Very low	143 Å²	143	134.4 Å²	134.4	88%	0.877	81%	0.813	S	S	*	*			trans	-87.3	127	-174.2	37.2	0	0	0	0	110.5
333	V	22	Very low	23	Very low	122 Å²	122	136.2 Å²	136.2	74%	0.739	82%	0.82	S	S	*	*			trans	-140.3	121.3	164.1	-173.8	0	0	0	0	108.7
334	S	21.6	Very low	23.1	Very low	116 Å²	116	134.3 Å²	134.3	81%	0.811	82%	0.815	S	S	*	*			trans	-88.9	142.6	-178	29.7	0	0	0	0	111.8
335	F	23.3	Very low	23.1	Very low	187 Å²	187	131.6 Å²	131.6	82%	0.82	81%	0.814	S	S	*	*			trans	-117.7	133.3	177.4	-72.1	-87.5	0	0	0	110.5
336	P	25.5	Very low	23.1	Very low	118 Å²	118	132.7 Å²	132.7	77%	0.766	81%	0.813	S	S	*	*			trans	-87.3	140.4	179.4	32.8	-30.2	0	0	0	112.1
337	P	26	Very low	23.1	Very low	128 Å²	128	133.4 Å²	133.4	83%	0.831	82%	0.817	S	S	*	*			trans	-87.4	132	179.2	34	-30.5	0	0	0	110.7
338	N	24.4	Very low	23	Very low	144 Å²	144	130.6 Å²	130.6	77%	0.77	81%	0.814	S	S	*	*			trans	-154.4	85.2	178.3	-156.1	19.9	0	0	0	110.9
339	V	25.9	Very low	23.1	Very low	145 Å²	145	127.5 Å²	127.5	88%	0.879	80%	0.803	S	S	*	*			trans	-150.2	89	157.4	-167.8	0	0	0	0	108
340	T	25.4	Very low	23	Very low	122 Å²	122	129.3 Å²	129.3	75%	0.748	80%	0.803	S	S	*	*			trans	-78.9	131.6	169	-15.4	0	0	0	0	109.4
341	S	23.8	Very low	23.2	Very low	105 Å²	105	133.8 Å²	133.8	73%	0.734	80%	0.804	S	S	*	*			trans	-55.2	124.5	-176.8	-42.2	0	0	0	0	113.2
342	T	23.8	Very low	23.3	Very low	131 Å²	131	136.8 Å²	136.8	80%	0.804	80%	0.804	S	S	*	*			trans	-101.8	91.5	166.7	27.3	0	0	0	0	108.8	T344	T342-T344 PolarHBondContact O-N 2.73Å
343	T	23	Very low	23.4	Very low	131 Å²	131	136.6 Å²	136.6	80%	0.804	80%	0.803	S	S	*	*			trans	-70.7	108.9	166.8	30	0	0	0	0	109
344	T	23.3	Very low	23.4	Very low	129 Å²	129	133.5 Å²	133.5	79%	0.791	80%	0.796	S	S	*	*			trans	-95	101.2	174.4	26.4	0	0	0	0	109	T342	T342-T344 PolarHBondContact O-N 2.73Å
345	T	22.8	Very low	23.6	Very low	129 Å²	129	133.9 Å²	133.9	79%	0.791	79%	0.793	S	S	*	*			trans	-70.5	120.5	170.5	33.1	0	0	0	0	109.8	N347	T345-N347 PolarHBondContact O-N 3.43Å
346	C	21	Very low	23.6	Very low	126 Å²	126	130.4 Å²	130.4	85%	0.851	79%	0.792	S	S	*	*			trans	-79.8	114.1	177.9	-70.2	0	0	0	0	110	T348	C346-T348 PolarHBondContact O-N 2.87Å
347	N	21.5	Very low	23.6	Very low	148 Å²	148	133.9 Å²	133.9	79%	0.791	80%	0.795	S	S	*	*			trans	-75.7	115.5	173.5	-87.1	-18.3	0	0	0	110.8	T345 T349	T345-N347 PolarHBondContact O-N 3.43Å; N347-T349 PolarHBondContact O-N 3.09Å
348	T	21.7	Very low	23.7	Very low	145 Å²	145	133.2 Å²	133.2	89%	0.89	79%	0.791	S	S	*	*			trans	-66.1	110.1	167.1	18.7	0	0	0	0	110.1	C346	C346-T348 PolarHBondContact O-N 2.87Å
349	T	23.8	Very low	23.6	Very low	109 Å²	109	134 Å²	134	67%	0.669	79%	0.793	S	S	*	*			trans	-94.4	114	173.4	32	0	0	0	0	109.7	N347 F351	N347-T349 PolarHBondContact O-N 3.09Å; T349-F351 PolarHBondContact O-N 3.4Å
350	S	20.3	Very low	23.7	Very low	118 Å²	118	132.5 Å²	132.5	83%	0.825	79%	0.787	S	S	*	*			trans	-67.1	110.5	172.8	54	0	0	0	0	110.6
351	F	25.8	Very low	23.9	Very low	191 Å²	191	131.8 Å²	131.8	84%	0.838	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-94.3	123.1	172.3	-80.1	-81.2	0	0	0	111.4	T349	T349-F351 PolarHBondContact O-N 3.4Å
352	H	23.4	Very low	23.9	Very low	185 Å²	185	132.6 Å²	132.6	86%	0.856	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-73.4	137.1	-172.5	-139.2	-82	0	0	0	111.5
353	V	22.7	Very low	24	Very low	140 Å²	140	133.6 Å²	133.6	85%	0.848	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-64.7	129.5	168.6	174.5	0	0	0	0	109.8
354	G	22.3	Very low	24	Very low	57 Å²	57	136.1 Å²	136.1	59%	0.588	79%	0.786	S	S	*	*			trans	159.3	118.4	162.3	0	0	0	0	0	117.4
355	T	26	Very low	24.1	Very low	124 Å²	124	136.9 Å²	136.9	76%	0.761	78%	0.781	S	S	*	*			trans	94.3	93.9	151.3	69.6	0	0	0	0	119.5
356	S	23.3	Very low	24.1	Very low	114 Å²	114	137.9 Å²	137.9	80%	0.797	78%	0.782	S	S	*	*			trans	-15	126.6	145.5	55.4	0	0	0	0	118.2
357	F	26.3	Very low	24.4	Very low	190 Å²	190	139 Å²	139	83%	0.833	77%	0.774	S	S	*	*			trans	-125.5	146.3	152.4	-84	-83.1	0	0	0	110.4
358	P	27.3	Very low	24.6	Very low	114 Å²	114	136 Å²	136	74%	0.74	77%	0.765	S	S	*	*	P	Polyproline II helix	trans	-86.8	143.5	-160.2	34.8	-34.7	0	0	0	113.4
359	I	23	Very low	24.8	Very low	160 Å²	160	136 Å²	136	82%	0.821	76%	0.758	S	S	*	*	P	Polyproline II helix	trans	-57.2	121.6	176.3	-59.7	158.1	0	0	0	111
360	P	26.6	Very low	25.1	Very low	115 Å²	115	135.2 Å²	135.2	75%	0.747	75%	0.753	S	S	*	*	P	Polyproline II helix	trans	-87.4	136.6	161.6	30.5	-22.4	0	0	0	109.9
361	P	29.4	Very low	25.7	Very low	106 Å²	106	132.1 Å²	132.1	69%	0.688	73%	0.732	S	S	*	*	P	Polyproline II helix	trans	-86	147.9	-168.8	34.6	-34.5	0	0	0	112.7
362	T	25.1	Very low	26.1	Very low	123 Å²	123	125.6 Å²	125.6	76%	0.755	70%	0.703	S	S	*	*			trans	57	84	150.7	42.3	0	0	0	0	116.9
363	I	25	Very low	26.7	Very low	151 Å²	151	119.9 Å²	119.9	77%	0.774	69%	0.688	S	S	*	*			trans	-108.6	101.6	138.6	-64.7	178	0	0	0	106.2	Q365	I363-Q365 VanDerWaalsContact C-N 3.26Å; I363-Q365 HydrophobicContact CG2-CB 4.49Å; I363-Q365 HydrophobicContact CG2-CG 4.01Å; I363-Q365 PolarHBondContact O-N 2.84Å
364	Q	23.5	Very low	27.4	Very low	184 Å²	184	119.1 Å²	119.1	86%	0.86	68%	0.679	S	S	*	*			trans	-61.8	91	163.4	-77.7	177.6	-34.4	0	0	107.9
365	Q	25.1	Very low	27.9	Very low	145 Å²	145	118.7 Å²	118.7	68%	0.678	66%	0.663	S	S	*	*			trans	-115.9	95.1	155.4	-83.9	-175.8	-20.2	0	0	106.9	I363 H367	I363-Q365 VanDerWaalsContact C-N 3.26Å; I363-Q365 HydrophobicContact CG2-CB 4.49Å; I363-Q365 HydrophobicContact CG2-CG 4.01Å; I363-Q365 PolarHBondContact O-N 2.84Å; Q365-H367 PolarHBondContact O-N 3.42Å
366	N	23.6	Very low	28.3	Very low	151 Å²	151	116.6 Å²	116.6	81%	0.807	65%	0.652	S	S	*	*			trans	-59.8	80.5	161.9	-77.4	-16.9	0	0	0	108.5
367	H	26.7	Very low	29.2	Very low	149 Å²	149	114.8 Å²	114.8	69%	0.69	64%	0.639	S	S	*	*			trans	-103	76.6	151.3	-69.8	-55.4	0	0	0	106.2	Q365 I369	Q365-H367 PolarHBondContact O-N 3.42Å; H367-I369 PolarHBondContact O-N 3.41Å
368	S	26.1	Very low	29.6	Very low	86 Å²	86	112.8 Å²	112.8	60%	0.601	63%	0.632	S	S	*	*			trans	-62.1	88.2	160.8	55.7	0	0	0	0	106.9	T370	S368-T370 PolarHBondContact O-N 3.31Å; S368-T370 PolarHBondContact O-OG1 3.41Å
369	I	26	Very low	30.1	Very low	144 Å²	144	109.9 Å²	109.9	74%	0.738	61%	0.61	S	S	*	*			trans	-70.1	85.3	162.7	-60.5	173.2	0	0	0	104.6	H367	H367-I369 PolarHBondContact O-N 3.41Å
370	T	29.2	Very low	30.7	Very low	93 Å²	93	106.7 Å²	106.7	57%	0.571	59%	0.592	S	S	*	*			trans	-98	103.4	179.5	44.4	0	0	0	0	106.8	S368	S368-T370 PolarHBondContact O-N 3.31Å; S368-T370 PolarHBondContact O-OG1 3.41Å
371	S	33.7	Very low	31.3	Very low	53 Å²	53	104.7 Å²	104.7	37%	0.371	58%	0.578	S	S	.	*			trans	112.2	123.1	169.7	-168.4	0	0	0	0	114.6	A373 D374	S371-A373 PolarHBondContact O-N 3.12Å; S371-A373 VanDerWaalsContact O-N 3.14Å; S371-A373 VanDerWaalsContact OG-CB 3.26Å; S371-A373 WeakPolarHBondContact OG-CB 3.27Å; S371-A373 PolarHBondContact OG-N 3.08Å; S371-D374 PolarHBondContact O-N 3.11Å
372	F	34.5	Very low	31.5	Very low	53 Å²	53	102.7 Å²	102.7	23%	0.232	57%	0.566	C	S	.	*	G	3₁₀ helix	trans	-63.5	-12.3	170.1	-163.9	-98.3	0	0	0	113	Y263 D374 L375 Q380	Y263-F372 HydrophobicContact CE2-CB 4.16Å; Y263-F372 WeakPolarHBondContact OH-CB 3.29Å; Y263-F372 WeakPolarHBondContact OH-CD2 3.46Å; Y263-F372 WeakPolarHBondContact OH-CG 3.29Å; F372-D374 PolarHBondContact O-N 2.92Å; F372-L375 HydrophobicContact CB-CD1 4.34Å; F372-L375 HydrophobicContact CD2-CD1 3.66Å; F372-L375 HydrophobicContact CD2-CD2 4.4Å; F372-L375 HydrophobicContact CD2-CG 4.5Å; F372-L375 HydrophobicContact CE2-CD1 4.18Å; F372-L375 HydrophobicContact CE2-CD2 4.1Å; F372-L375 HydrophobicContact CG-CD1 4.03Å; F372-L375 PolarHBondContact O-N 3.16Å; F372-L375 VanDerWaalsContact O-N 3.12Å; F372-Q380 HydrophobicContact CE1-CG 3.9Å
373	A	36.4	Very low	32.1	Very low	66 Å²	66	98.3 Å²	98.3	55%	0.545	54%	0.542	S	S	.	.	G	3₁₀ helix	trans	-64.5	-19.6	173.9	0	0	0	0	0	113.1	S371 L375	S371-A373 PolarHBondContact O-N 3.12Å; S371-A373 VanDerWaalsContact O-N 3.14Å; S371-A373 VanDerWaalsContact OG-CB 3.26Å; S371-A373 WeakPolarHBondContact OG-CB 3.27Å; S371-A373 PolarHBondContact OG-N 3.08Å; A373-L375 VanDerWaalsContact C-N 3.29Å
374	D	36	Very low	32.7	Very low	124 Å²	124	95.2 Å²	95.2	66%	0.663	53%	0.526	S	S	*	.	G	3₁₀ helix	trans	-83.9	-4.8	176.2	-67.1	-22.4	0	0	0	112.8	S371 F372	S371-D374 PolarHBondContact O-N 3.11Å; F372-D374 PolarHBondContact O-N 2.92Å
375	L	32.4	Very low	33.3	Very low	48 Å²	48	91.5 Å²	91.5	25%	0.251	51%	0.511	S	S	.	.	S	Bend	trans	-79.8	135.6	176.3	-78.5	95.7	0	0	0	111.5	F372 A373 L379	F372-L375 HydrophobicContact CB-CD1 4.34Å; F372-L375 HydrophobicContact CD2-CD1 3.66Å; F372-L375 HydrophobicContact CD2-CD2 4.4Å; F372-L375 HydrophobicContact CD2-CG 4.5Å; F372-L375 HydrophobicContact CE2-CD1 4.18Å; F372-L375 HydrophobicContact CE2-CD2 4.1Å; F372-L375 HydrophobicContact CG-CD1 4.03Å; F372-L375 PolarHBondContact O-N 3.16Å; F372-L375 VanDerWaalsContact O-N 3.12Å; A373-L375 VanDerWaalsContact C-N 3.29Å; L375-L379 HydrophobicContact CB-CB 4.35Å; L375-L379 HydrophobicContact CD2-CB 4.1Å; L375-L379 HydrophobicContact CD2-CD1 3.97Å; L375-L379 HydrophobicContact CD2-CD2 3.26Å; L375-L379 HydrophobicContact CD2-CG 3.91Å
376	P	35.9	Very low	33.8	Very low	80 Å²	80	86.9 Å²	86.9	52%	0.519	50%	0.498	S	S	.	.			trans	-53.7	144.5	176.7	-23.2	31.5	0	0	0	111.7	E378 L379	P376-E378 PolarHBondContact O-N 3.34Å; P376-L379 PolarHBondContact O-N 2.9Å
377	S	41	Very low	34.7	Very low	76 Å²	76	82.1 Å²	82.1	53%	0.531	47%	0.474	S	S	.	.	H	α-helix	trans	-48.9	-31.3	178.2	56.3	0	0	0	0	113.7	L379 Q380 T381	S377-L379 VanDerWaalsContact C-N 3.31Å; S377-L379 PolarHBondContact O-N 3.4Å; S377-Q380 PolarHBondContact O-N 3.2Å; S377-T381 PolarHBondContact O-N 3.32Å; S377-T381 PolarHBondContact O-OG1 2.88Å
378	E	35.2	Very low	35.3	Very low	147 Å²	147	77.3 Å²	77.3	69%	0.687	45%	0.453	S	S	*	.	H	α-helix	trans	-55.6	-43.9	174	-73.9	172.3	170.3	0	0	112	P376 T381 S382	P376-E378 PolarHBondContact O-N 3.34Å; E378-T381 WeakPolarHBondContact CA-OG1 3.41Å; E378-T381 PolarHBondContact O-N 3.44Å; E378-T381 PolarHBondContact O-OG1 2.96Å; E378-S382 WeakPolarHBondContact O-CB 3.33Å; E378-S382 PolarHBondContact O-N 3.4Å; E378-S382 PolarHBondContact O-OG 2.91Å
379	L	37.8	Very low	35.8	Very low	54 Å²	54	76.9 Å²	76.9	28%	0.283	46%	0.455	S	S	.	.	H	α-helix	trans	-73	-30.4	-177.8	-136.6	129.4	0	0	0	112.1	L137 L375 P376 S377 S382 A383	L137-L379 HydrophobicContact CD1-CD2 4.22Å; L137-L379 HydrophobicContact CD2-CD2 4.18Å; L375-L379 HydrophobicContact CB-CB 4.35Å; L375-L379 HydrophobicContact CD2-CB 4.1Å; L375-L379 HydrophobicContact CD2-CD1 3.97Å; L375-L379 HydrophobicContact CD2-CD2 3.26Å; L375-L379 HydrophobicContact CD2-CG 3.91Å; P376-L379 PolarHBondContact O-N 2.9Å; S377-L379 VanDerWaalsContact C-N 3.31Å; S377-L379 PolarHBondContact O-N 3.4Å; L379-S382 PolarHBondContact O-N 3.43Å; L379-A383 WeakPolarHBondContact O-CB 3.39Å; L379-A383 PolarHBondContact O-N 3.41Å
380	Q	36.4	Very low	36.6	Very low	93 Å²	93	73 Å²	73	44%	0.435	44%	0.436	S	S	.	.	H	α-helix	trans	-67.6	-46.3	172.7	-57.4	-175.2	-13.8	0	0	111.4	F372 S377 S382 A383 M384	F372-Q380 HydrophobicContact CE1-CG 3.9Å; S377-Q380 PolarHBondContact O-N 3.2Å; Q380-S382 VanDerWaalsContact C-N 3.32Å; Q380-S382 PolarHBondContact O-N 3.34Å; Q380-A383 PolarHBondContact O-N 3.38Å; Q380-M384 PolarHBondContact O-N 2.89Å; Q380-M384 VanDerWaalsContact O-N 3.12Å
381	T	38.4	Very low	37.3	Very low	73 Å²	73	74 Å²	74	45%	0.448	44%	0.444	S	S	.	.	H	α-helix	trans	-62.5	-39.3	172.5	33.2	0	0	0	0	112	S377 E378 M384 L385	S377-T381 PolarHBondContact O-N 3.32Å; S377-T381 PolarHBondContact O-OG1 2.88Å; E378-T381 WeakPolarHBondContact CA-OG1 3.41Å; E378-T381 PolarHBondContact O-N 3.44Å; E378-T381 PolarHBondContact O-OG1 2.96Å; T381-M384 PolarHBondContact O-N 3.46Å; T381-L385 WeakPolarHBondContact O-CB 3.49Å; T381-L385 VanDerWaalsContact O-CG 3.27Å; T381-L385 WeakPolarHBondContact O-CG 3.39Å; T381-L385 PolarHBondContact O-N 3.37Å
382	S	33.5	Very low	38	Very low	63 Å²	63	72 Å²	72	44%	0.441	43%	0.429	S	S	.	.	H	α-helix	trans	-64.6	-41.1	176.8	-65.6	0	0	0	0	112.2	E378 L379 Q380 M384 L385 A386	E378-S382 WeakPolarHBondContact O-CB 3.33Å; E378-S382 PolarHBondContact O-N 3.4Å; E378-S382 PolarHBondContact O-OG 2.91Å; L379-S382 PolarHBondContact O-N 3.43Å; Q380-S382 VanDerWaalsContact C-N 3.32Å; Q380-S382 PolarHBondContact O-N 3.34Å; S382-M384 PolarHBondContact O-N 3.14Å; S382-L385 PolarHBondContact O-N 3.45Å; S382-A386 VanDerWaalsContact O-CB 3.25Å; S382-A386 WeakPolarHBondContact O-CB 3.42Å; S382-A386 PolarHBondContact O-N 3.49Å
383	A	37	Very low	38.6	Very low	32 Å²	32	72.5 Å²	72.5	26%	0.264	44%	0.443	S	S	.	.	H	α-helix	trans	-64	-40.1	176.2	0	0	0	0	0	112.1	L379 Q380 A386 T387	L379-A383 WeakPolarHBondContact O-CB 3.39Å; L379-A383 PolarHBondContact O-N 3.41Å; Q380-A383 PolarHBondContact O-N 3.38Å; A383-A386 PolarHBondContact O-N 3.2Å; A383-T387 PolarHBondContact O-N 3.14Å; A383-T387 PolarHBondContact O-OG1 2.95Å
384	M	38.6	Very low	39.1	Very low	86 Å²	86	76.7 Å²	76.7	42%	0.424	46%	0.456	S	S	.	.	H	α-helix	trans	-64	-43.9	173.2	-174.1	-177.7	70	0	0	111.6	Q380 T381 S382 T387 L388 L470	Q380-M384 PolarHBondContact O-N 2.89Å; Q380-M384 VanDerWaalsContact O-N 3.12Å; T381-M384 PolarHBondContact O-N 3.46Å; S382-M384 PolarHBondContact O-N 3.14Å; M384-T387 WeakPolarHBondContact CA-OG1 3.48Å; M384-T387 PolarHBondContact O-OG1 2.73Å; M384-T387 VanDerWaalsContact O-OG1 3.06Å; M384-L388 VanDerWaalsContact O-CG 3.27Å; M384-L388 WeakPolarHBondContact O-CG 3.45Å; M384-L388 PolarHBondContact O-N 2.85Å; M384-L388 VanDerWaalsContact O-N 3.09Å; M384-L470 HydrophobicContact SD-CD1 4.28Å
385	L	36	Very low	39.7	Very low	105 Å²	105	73 Å²	73	55%	0.55	44%	0.44	S	S	.	.	H	α-helix	trans	-66.2	-36.6	175.7	-72.3	173.5	0	0	0	112.2	T381 S382 L388 A389	T381-L385 WeakPolarHBondContact O-CB 3.49Å; T381-L385 VanDerWaalsContact O-CG 3.27Å; T381-L385 WeakPolarHBondContact O-CG 3.39Å; T381-L385 PolarHBondContact O-N 3.37Å; S382-L385 PolarHBondContact O-N 3.45Å; L385-L388 HydrophobicContact CD2-CD1 4.32Å; L385-L388 WeakPolarHBondContact O-CB 3.43Å; L385-L388 PolarHBondContact O-N 3.48Å; L385-A389 WeakPolarHBondContact O-CB 2.91Å; L385-A389 PolarHBondContact O-N 2.86Å
386	A	35.6	Very low	40.7	Very low	48 Å²	48	79.9 Å²	79.9	40%	0.397	47%	0.471	S	S	.	.	H	α-helix	trans	-66.4	-43.8	177.1	0	0	0	0	0	111.5	S382 A383 L388 A389 L390	S382-A386 VanDerWaalsContact O-CB 3.25Å; S382-A386 WeakPolarHBondContact O-CB 3.42Å; S382-A386 PolarHBondContact O-N 3.49Å; A383-A386 PolarHBondContact O-N 3.2Å; A386-L388 VanDerWaalsContact C-N 3.29Å; A386-L388 PolarHBondContact O-N 3.46Å; A386-A389 PolarHBondContact O-N 3.29Å; A386-A389 VanDerWaalsContact O-N 3.08Å; A386-L390 PolarHBondContact O-N 3.29Å; A386-L390 VanDerWaalsContact O-N 3.12Å
387	T	42.8	Very low	41.7	Very low	51 Å²	51	82.9 Å²	82.9	31%	0.313	48%	0.478	S	S	.	.	H	α-helix	trans	-63.8	-34.8	173.6	25.5	0	0	0	0	112.2	A383 M384 A389 L390 R471	A383-T387 PolarHBondContact O-N 3.14Å; A383-T387 PolarHBondContact O-OG1 2.95Å; M384-T387 WeakPolarHBondContact CA-OG1 3.48Å; M384-T387 PolarHBondContact O-OG1 2.73Å; M384-T387 VanDerWaalsContact O-OG1 3.06Å; T387-A389 VanDerWaalsContact C-N 3.31Å; T387-L390 HydrophobicContact CG2-CD1 4.34Å; T387-R471 PolarHBondContact O-NH2 2.84Å; T387-R471 VanDerWaalsContact O-NH2 3.11Å
388	L	39.1	Very low	43	Very low	48 Å²	48	80.3 Å²	80.3	25%	0.251	46%	0.46	S	S	.	.	H	α-helix	trans	-65.9	-34.2	172.2	-70.8	169.1	0	0	0	112.4	M384 L385 A386 L470 R471	M384-L388 VanDerWaalsContact O-CG 3.27Å; M384-L388 WeakPolarHBondContact O-CG 3.45Å; M384-L388 PolarHBondContact O-N 2.85Å; M384-L388 VanDerWaalsContact O-N 3.09Å; L385-L388 HydrophobicContact CD2-CD1 4.32Å; L385-L388 WeakPolarHBondContact O-CB 3.43Å; L385-L388 PolarHBondContact O-N 3.48Å; A386-L388 VanDerWaalsContact C-N 3.29Å; A386-L388 PolarHBondContact O-N 3.46Å; L388-L470 HydrophobicContact CD1-CD1 4.21Å; L388-L470 HydrophobicContact CD2-CB 4.32Å; L388-R471 HydrophobicContact CD2-CG 3.82Å; L388-R471 PolarHBondContact O-NH2 2.93Å
389	A	35.8	Very low	44.6	Very low	78 Å²	78	74.1 Å²	74.1	65%	0.645	43%	0.431	S	S	*	.	H	α-helix	trans	-79.2	-15.3	-179.2	0	0	0	0	0	114.6	L385 A386 T387 P391	L385-A389 WeakPolarHBondContact O-CB 2.91Å; L385-A389 PolarHBondContact O-N 2.86Å; A386-A389 PolarHBondContact O-N 3.29Å; A386-A389 VanDerWaalsContact O-N 3.08Å; T387-A389 VanDerWaalsContact C-N 3.31Å; A389-P391 WeakPolarHBondContact O-CD 3.37Å
390	L	43.1	Very low	46.5	Very low	63 Å²	63	72.3 Å²	72.3	33%	0.33	43%	0.426	S	S	.	.	S	Bend	trans	-62.2	119.3	176.5	-70.3	172.5	0	0	0	109.5	Y129 A386 T387 V392 R471	Y129-L390 HydrophobicContact CD1-CD2 4.49Å; Y129-L390 HydrophobicContact CD2-CD1 4.28Å; Y129-L390 HydrophobicContact CG-CD1 3.96Å; A386-L390 PolarHBondContact O-N 3.29Å; A386-L390 VanDerWaalsContact O-N 3.12Å; T387-L390 HydrophobicContact CG2-CD1 4.34Å; L390-V392 PolarHBondContact O-N 2.92Å; L390-R471 PolarHBondContact O-NH2 3.13Å
391	P	44	Very low	48.4	Very low	113 Å²	113	74.7 Å²	74.7	73%	0.734	44%	0.437	S	S	*	.	P	Polyproline II helix	trans	-61.3	129.6	175.5	23.6	-30	0	0	0	108.8	A389	A389-P391 WeakPolarHBondContact O-CD 3.37Å
392	V	49	Very low	50.3	Low	12 Å²	12	72.7 Å²	72.7	7%	0.073	42%	0.421	C	S	.	.	P	Polyproline II helix	trans	-70.4	129.2	164.8	176.1	0	0	0	0	106	L122 L390 D394	L122-V392 HydrophobicContact CD1-CB 4.5Å; L122-V392 HydrophobicContact CD1-CG1 3.43Å; L122-V392 VanDerWaalsContact CD1-CG1 3.43Å; L122-V392 HydrophobicContact CD1-CG2 4.44Å; L122-V392 HydrophobicContact CD2-CG1 4.18Å; L122-V392 HydrophobicContact CG-CG1 4.43Å; L390-V392 PolarHBondContact O-N 2.92Å; V392-D394 PolarHBondContact O-N 3.49Å
393	A	47.7	Very low	52.2	Low	63 Å²	63	69.7 Å²	69.7	52%	0.521	40%	0.401	S	S	.	.	P	Polyproline II helix	trans	-52.5	129.7	176.2	0	0	0	0	0	109.3	S395	A393-S395 PolarHBondContact O-N 3.07Å
394	D	45.2	Very low	53.9	Low	153 Å²	153	68.7 Å²	68.7	82%	0.818	39%	0.392	S	S	*	.			trans	-67.5	85.1	175.4	-76.6	-29.5	0	0	0	108.9	V392	V392-D394 PolarHBondContact O-N 3.49Å
395	S	49.6	Very low	55.8	Low	47 Å²	47	67.8 Å²	67.8	33%	0.329	39%	0.386	S	S	.	.			trans	-93.1	154.4	158.3	99.1	0	0	0	0	109.4	E118 A393 H397 S398	E118-S395 WeakPolarHBondContact OE1-CB 3.46Å; E118-S395 PolarHBondContact OE1-OG 3Å; E118-S395 PolarHBondContact OE2-OG 3.12Å; A393-S395 PolarHBondContact O-N 3.07Å; S395-H397 PolarHBondContact O-N 3.24Å; S395-H397 PolarHBondContact OG-N 3.39Å; S395-S398 PolarHBondContact O-N 2.93Å; S395-S398 VanDerWaalsContact O-N 3.14Å; S395-S398 PolarHBondContact O-OG 2.8Å
396	Q	52.8	Low	57.9	Low	192 Å²	192	62.8 Å²	62.8	90%	0.897	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-8.9	179.9	-69	-175.6	-32	0	0	114
397	H	56.7	Low	60.1	Low	144 Å²	144	64 Å²	64	67%	0.667	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115.2	10.4	-177.7	-59.1	-57.1	0	0	0	113.8	S395	S395-H397 PolarHBondContact O-N 3.24Å; S395-H397 PolarHBondContact OG-N 3.39Å
398	S	68.9	Low	62.2	Low	22 Å²	22	61.9 Å²	61.9	15%	0.154	34%	0.342	C	S	.	.	S	Bend	trans	-95.7	154.6	179.2	92.5	0	0	0	0	111.4	E118 S395 G400	E118-S398 VanDerWaalsContact CD-CB 3.42Å; E118-S398 WeakPolarHBondContact OE1-CB 3.4Å; E118-S398 WeakPolarHBondContact OE2-CA 3.41Å; E118-S398 WeakPolarHBondContact OE2-CB 3.43Å; E118-S398 PolarHBondContact OE2-N 3.24Å; S395-S398 PolarHBondContact O-N 2.93Å; S395-S398 VanDerWaalsContact O-N 3.14Å; S395-S398 PolarHBondContact O-OG 2.8Å; S398-G400 PolarHBondContact O-N 3.44Å; S398-G400 PolarHBondContact OG-N 2.97Å
399	L	68.8	Low	64.4	Low	16 Å²	16	59.6 Å²	59.6	8%	0.084	33%	0.33	C	S	.	.			trans	-86.8	24.6	169.3	-63.6	160	0	0	0	111.5	Q401 W402 G403 H405 L519	L399-Q401 PolarHBondContact O-N 3.39Å; L399-W402 HydrophobicContact CB-CB 4.15Å; L399-W402 WeakPolarHBondContact O-CB 3.37Å; L399-W402 VanDerWaalsContact O-CD1 3.24Å; L399-W402 PolarHBondContact O-N 3.33Å; L399-W402 VanDerWaalsContact O-N 3.12Å; L399-G403 WeakPolarHBondContact CB-O 3.46Å; L399-H405 HydrophobicContact CD1-CB 4.2Å; L399-H405 HydrophobicContact CG-CB 4.37Å; L399-L519 HydrophobicContact CD2-CD1 3.82Å; L399-L519 HydrophobicContact CD2-CD2 3.76Å; L399-L519 HydrophobicContact CD2-CG 4.47Å
400	G	77.9	Confident	66.7	Low	17 Å²	17	55.9 Å²	55.9	18%	0.175	30%	0.3	C	S	.	.	G	3₁₀ helix	trans	53	-126.9	-176.6	0	0	0	0	0	112.3	S398 W402 G403	S398-G400 PolarHBondContact O-N 3.44Å; S398-G400 PolarHBondContact OG-N 2.97Å; G400-W402 PolarHBondContact O-N 3.24Å; G400-G403 PolarHBondContact O-N 3.47Å
401	Q	75.6	Confident	68.6	Low	143 Å²	143	53.5 Å²	53.5	67%	0.668	29%	0.286	S	S	*	.	G	3₁₀ helix	trans	-60	-17.5	-179	68.4	-177.9	0.9	0	0	114.8	L399 G403	L399-Q401 PolarHBondContact O-N 3.39Å; Q401-G403 VanDerWaalsContact C-N 3.3Å; Q401-G403 PolarHBondContact O-N 2.81Å
402	W	78.7	Confident	70.3	Confident	30 Å²	30	48.2 Å²	48.2	11%	0.114	25%	0.253	C	S	.	.	G	3₁₀ helix	trans	-80.4	-11.5	-177.4	-53.6	117.9	0	0	0	113	L399 G400 R471 R472 A474 M475 I517	L399-W402 HydrophobicContact CB-CB 4.15Å; L399-W402 WeakPolarHBondContact O-CB 3.37Å; L399-W402 VanDerWaalsContact O-CD1 3.24Å; L399-W402 PolarHBondContact O-N 3.33Å; L399-W402 VanDerWaalsContact O-N 3.12Å; G400-W402 PolarHBondContact O-N 3.24Å; W402-R471 WeakPolarHBondContact O-CB 3.49Å; W402-R472 PolarHBondContact O-NH1 2.78Å; W402-A474 HydrophobicContact CZ3-CB 4.03Å; W402-M475 HydrophobicContact CD2-CB 3.82Å; W402-M475 HydrophobicContact CD2-CG 4.01Å; W402-M475 HydrophobicContact CE3-CB 3.61Å; W402-M475 HydrophobicContact CE3-CG 4.31Å; W402-M475 HydrophobicContact CG-CB 4.38Å; W402-M475 HydrophobicContact CG-CG 4.3Å; W402-M475 HydrophobicContact CG-SD 4.28Å; W402-M475 HydrophobicContact CH2-CB 4.37Å; W402-M475 HydrophobicContact CZ3-CB 3.91Å; W402-I517 HydrophobicContact CH2-CG2 4.4Å; W402-I517 HydrophobicContact CZ2-CB 3.84Å; W402-I517 HydrophobicContact CZ2-CG2 3.76Å; W402-I517 PolarHBondContact NE1-O 2.77Å; W402-I517 VanDerWaalsContact NE1-O 3.1Å
403	G	74.2	Confident	71.8	Confident	1 Å²	1	52.1 Å²	52.1	1%	0.01	27%	0.266	C	S	.	.			trans	105.8	-177.8	178.8	0	0	0	0	0	114.1	L399 G400 Q401	L399-G403 WeakPolarHBondContact CB-O 3.46Å; G400-G403 PolarHBondContact O-N 3.47Å; Q401-G403 VanDerWaalsContact C-N 3.3Å; Q401-G403 PolarHBondContact O-N 2.81Å
404	P	71.3	Confident	73.1	Confident	11 Å²	11	51 Å²	51	7%	0.071	25%	0.251	C	S	.	.	P	Polyproline II helix	trans	-65.3	150.4	-174.8	26.4	-34.3	0	0	0	112.8	A119 L122 F467 R472	A119-P404 HydrophobicContact CB-CB 3.43Å; A119-P404 VanDerWaalsContact CB-CB 3.43Å; A119-P404 HydrophobicContact CB-CG 4.37Å; L122-P404 HydrophobicContact CD1-CB 4.38Å; P404-F467 HydrophobicContact CG-CE2 4.3Å; P404-R472 PolarHBondContact O-NH2 3.3Å
405	H	78.6	Confident	74.4	Confident	67 Å²	67	46.9 Å²	46.9	31%	0.31	23%	0.233	S	C	.	.	P	Polyproline II helix	trans	-81.9	131.2	178.2	-166.4	-43.7	0	0	0	112.1	S116 L399	S116-H405 WeakPolarHBondContact CB-O 3.08Å; S116-H405 PolarHBondContact N-O 2.62Å; S116-H405 PolarHBondContact OG-O 2.91Å; L399-H405 HydrophobicContact CD1-CB 4.2Å; L399-H405 HydrophobicContact CG-CB 4.37Å
406	L	81.5	Confident	75.4	Confident	0 Å²	0	45.5 Å²	45.5	0%	0	22%	0.223	C	C	.	.	B	Isolated β-bridge	trans	-94.9	142.3	171.8	-60.1	176.9	0	0	0	111.7	Y115 Y408 I468 D576 L623	Y115-L406 HydrophobicContact CD1-CD2 3.6Å; Y115-L406 HydrophobicContact CE1-CD2 3.44Å; Y115-L406 VanDerWaalsContact CE1-CD2 3.44Å; L406-Y408 PolarHBondContact O-N 3.1Å; L406-I468 HydrophobicContact CD1-CG2 4.28Å; L406-I468 HydrophobicContact CD2-CD1 4.26Å; L406-D576 HydrophobicContact CB-CB 4.1Å; L406-D576 WeakPolarHBondContact CB-OD2 3.48Å; L406-D576 VanDerWaalsContact CG-OD2 3.26Å; L406-D576 WeakPolarHBondContact CG-OD2 3.22Å; L406-D576 PolarHBondContact N-OD2 2.9Å; L406-L623 HydrophobicContact CD1-CD1 3.72Å; L406-L623 HydrophobicContact CD1-CG 4.44Å
407	K	81.7	Confident	76	Confident	72 Å²	72	40.1 Å²	40.1	31%	0.313	21%	0.205	S	C	.	.	G	3₁₀ helix	trans	-71.4	117.5	177.4	-65	-172.1	-175.8	170.7	0	110.5	E113 M114 G409 T410 P642 F643	E113-K407 WeakPolarHBondContact O-CD 3.35Å; E113-K407 VanDerWaalsContact O-CE 3.3Å; E113-K407 WeakPolarHBondContact O-CE 3.24Å; E113-K407 PolarHBondContact O-NZ 2.87Å; M114-K407 HydrophobicContact CE-CB 4.49Å; M114-K407 PolarHBondContact O-N 3Å; M114-K407 VanDerWaalsContact O-N 3.15Å; K407-G409 PolarHBondContact O-N 2.83Å; K407-G409 VanDerWaalsContact O-N 3.1Å; K407-T410 WeakPolarHBondContact O-CB 3.47Å; K407-T410 PolarHBondContact O-N 3.42Å; K407-P642 WeakPolarHBondContact CB-O 3.41Å; K407-F643 HydrophobicContact CD-CD1 4.16Å
408	Y	86.9	Confident	76.6	Confident	7 Å²	7	38.6 Å²	38.6	3%	0.027	20%	0.201	C	C	.	.	G	3₁₀ helix	trans	47.9	38.4	-176.5	-148.2	148.6	0	0	0	113.2	L406 T410 V524 D571 L573 F638 K640 F647	L406-Y408 PolarHBondContact O-N 3.1Å; Y408-T410 PolarHBondContact O-N 3.31Å; Y408-T410 VanDerWaalsContact O-N 3.13Å; Y408-V524 HydrophobicContact CE1-CG1 4.18Å; Y408-D571 WeakPolarHBondContact CE2-OD2 3.35Å; Y408-D571 PolarHBondContact OH-OD2 3.47Å; Y408-L573 HydrophobicContact CD2-CD1 4.06Å; Y408-L573 HydrophobicContact CD2-CD2 3.74Å; Y408-L573 HydrophobicContact CD2-CG 4.49Å; Y408-L573 HydrophobicContact CE2-CD1 3.74Å; Y408-L573 HydrophobicContact CE2-CD2 4.07Å; Y408-L573 HydrophobicContact CE2-CG 4.39Å; Y408-F638 AromaticContact CD1-CD1 3.93Å; Y408-F638 HydrophobicContact CD1-CD1 3.93Å; Y408-F638 HydrophobicContact CD1-CE1 4.31Å; Y408-F638 AromaticContact CD2-CD1 3.98Å; Y408-F638 HydrophobicContact CD2-CD1 3.98Å; Y408-F638 AromaticContact CD2-CE1 3.88Å; Y408-F638 HydrophobicContact CD2-CE1 3.88Å; Y408-F638 AromaticContact CE1-CD1 3.95Å; Y408-F638 HydrophobicContact CE1-CD1 3.95Å; Y408-F638 AromaticContact CE2-CD1 3.99Å; Y408-F638 HydrophobicContact CE2-CD1 3.99Å; Y408-F638 HydrophobicContact CE2-CE1 4.28Å; Y408-F638 AromaticContact CG-CD1 3.95Å; Y408-F638 HydrophobicContact CG-CD1 3.95Å; Y408-F638 AromaticContact CG-CE1 3.89Å; Y408-F638 HydrophobicContact CG-CE1 3.89Å; Y408-F638 AromaticContact CZ-CD1 3.98Å; Y408-K640 HydrophobicContact CE1-CB 4.41Å; Y408-F647 AromaticContact CD1-CE1 3.67Å; Y408-F647 HydrophobicContact CD1-CE1 3.67Å; Y408-F647 HydrophobicContact CD1-CE2 4.39Å; Y408-F647 AromaticContact CD1-CZ 3.46Å; Y408-F647 HydrophobicContact CD1-CZ 3.46Å; Y408-F647 VanDerWaalsContact CD1-CZ 3.46Å; Y408-F647 AromaticContact CE1-CE1 3.9Å; Y408-F647 HydrophobicContact CE1-CE1 3.9Å; Y408-F647 HydrophobicContact CE1-CZ 4.15Å; Y408-F647 HydrophobicContact CG-CZ 4.07Å
409	G	84	Confident	76.7	Confident	0 Å²	0	39.8 Å²	39.8	0%	0	21%	0.206	C	C	.	.	G	3₁₀ helix	trans	68.6	9.2	-180	0	0	0	0	0	116.2	K407 D576 V622 L623	K407-G409 PolarHBondContact O-N 2.83Å; K407-G409 VanDerWaalsContact O-N 3.1Å; G409-D576 WeakPolarHBondContact CA-O 3.42Å; G409-V622 WeakPolarHBondContact O-CA 3.38Å; G409-L623 PolarHBondContact O-N 2.9Å; G409-L623 VanDerWaalsContact O-N 3.1Å
410	T	85.2	Confident	76.6	Confident	0 Å²	0	43.3 Å²	43.3	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	127.9	-176.1	170.3	0	0	0	0	111.6	M114 K407 Y408 Y620 L621 V622 F638 P642	M114-T410 HydrophobicContact CE-CG2 3.86Å; M114-T410 WeakPolarHBondContact CE-OG1 3.43Å; M114-T410 PolarHBondContact SD-OG1 3.27Å; K407-T410 WeakPolarHBondContact O-CB 3.47Å; K407-T410 PolarHBondContact O-N 3.42Å; Y408-T410 PolarHBondContact O-N 3.31Å; Y408-T410 VanDerWaalsContact O-N 3.13Å; T410-Y620 HydrophobicContact CG2-CG 4.47Å; T410-L621 CarbonylContact C-O 3.55Å; T410-L621 VanDerWaalsContact CA-O 3.28Å; T410-L621 WeakPolarHBondContact CA-O 3.39Å; T410-V622 HydrophobicContact CG2-CG2 4.07Å; T410-F638 HydrophobicContact CG2-CE1 4.01Å; T410-F638 HydrophobicContact CG2-CE2 4.42Å; T410-F638 HydrophobicContact CG2-CZ 3.46Å; T410-F638 VanDerWaalsContact CG2-CZ 3.46Å; T410-P642 HydrophobicContact CG2-CB 3.94Å
411	Y	81.9	Confident	76.1	Confident	13 Å²	13	48.4 Å²	48.4	5%	0.051	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	2.1	176.8	67.4	-91.7	0	0	0	113.5	P462 P464 G610 L621 L623	Y411-P462 PolarHBondContact OH-O 3.34Å; Y411-P464 HydrophobicContact CE1-CB 4.21Å; Y411-P464 HydrophobicContact CE1-CG 3.9Å; Y411-P464 HydrophobicContact CE2-CB 4.23Å; Y411-P464 HydrophobicContact CE2-CG 4.35Å; Y411-G610 WeakPolarHBondContact OH-CA 3.49Å; Y411-L621 HydrophobicContact CD1-CB 4.11Å; Y411-L621 WeakPolarHBondContact CD1-O 3.42Å; Y411-L621 HydrophobicContact CD2-CB 3.98Å; Y411-L621 HydrophobicContact CD2-CD1 4.35Å; Y411-L621 HydrophobicContact CE1-CB 3.73Å; Y411-L621 HydrophobicContact CE2-CB 3.58Å; Y411-L621 HydrophobicContact CE2-CD1 3.77Å; Y411-L621 HydrophobicContact CE2-CG 4.27Å; Y411-L621 HydrophobicContact CG-CB 4.24Å; Y411-L621 VanDerWaalsContact CZ-CB 3.46Å; Y411-L621 PolarHBondContact N-O 3.33Å; Y411-L623 HydrophobicContact CD1-CD2 4.32Å; Y411-L623 HydrophobicContact CD1-CG 4.11Å; Y411-L623 HydrophobicContact CE1-CD2 4.31Å; Y411-L623 HydrophobicContact CE1-CG 4.47Å
412	G	80.6	Confident	75.7	Confident	3 Å²	3	44 Å²	44	3%	0.031	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-178.7	157	178.2	0	0	0	0	0	113.7	Y620 L621	G412-Y620 CarbonylContact O-C 3.48Å; G412-Y620 WeakPolarHBondContact O-CA 3.41Å; G412-L621 PolarHBondContact O-N 3.33Å
413	R	81	Confident	74.9	Confident	93 Å²	93	48.2 Å²	48.2	35%	0.351	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	127.6	173.7	-179.2	177.5	172.2	-108.5	-12.3	108.8	N111 D419 V618 Y620	N111-R413 PolarHBondContact ND2-N 3.04Å; R413-D419 IonicContact CZ-OD2 3.62Å; R413-D419 IonicContact NH1-OD2 3.57Å; R413-D419 IonicContact NH2-OD2 2.58Å; R413-D419 PolarHBondContact NH2-OD2 3.1Å; R413-V618 HydrophobicContact CG-CG1 3.56Å; R413-Y620 HydrophobicContact CB-CD1 4.07Å; R413-Y620 HydrophobicContact CB-CE1 4.06Å; R413-Y620 HydrophobicContact CG-CD1 4.24Å; R413-Y620 HydrophobicContact CG-CE1 3.9Å
414	L	74.9	Confident	74.4	Confident	40 Å²	40	52.3 Å²	52.3	21%	0.209	27%	0.272	C	S	.	.	P	Polyproline II helix	trans	-79.2	142.8	171.7	-68.9	177.3	0	0	0	109.6	S416 P462 V612 E619 L621	L414-S416 PolarHBondContact O-N 2.95Å; L414-P462 HydrophobicContact CD2-CG 4.26Å; L414-V612 HydrophobicContact CD1-CG1 4.27Å; L414-V612 HydrophobicContact CD1-CG2 4.2Å; L414-E619 HydrophobicContact CB-CB 4.01Å; L414-E619 WeakPolarHBondContact CB-O 3.34Å; L414-E619 HydrophobicContact CD1-CB 4.01Å; L414-E619 HydrophobicContact CG-CB 4.47Å; L414-E619 PolarHBondContact N-O 3.4Å; L414-L621 HydrophobicContact CD1-CD2 4.03Å; L414-L621 HydrophobicContact CD2-CD1 4.3Å; L414-L621 HydrophobicContact CD2-CD2 4.14Å; L414-L621 HydrophobicContact CD2-CG 4.34Å; L414-L621 HydrophobicContact CG-CD2 3.98Å; L414-L621 HydrophobicContact CG-CG 4.19Å
415	P	71.7	Confident	73.8	Confident	67 Å²	67	54.5 Å²	54.5	44%	0.435	29%	0.288	S	S	.	.	P	Polyproline II helix	trans	-60.5	131.6	176.6	-20	31	0	0	0	111.1	D419 L420	P415-D419 HydrophobicContact CB-CB 4.26Å; P415-L420 HydrophobicContact CB-CD2 4.02Å; P415-L420 HydrophobicContact CB-CG 4.1Å
416	S	70.9	Confident	72.6	Confident	17 Å²	17	57.4 Å²	57.4	12%	0.119	30%	0.301	C	S	.	.	P	Polyproline II helix	trans	-69.1	161.7	174.1	70.9	0	0	0	0	111.2	L414 L418 D419 L420	L414-S416 PolarHBondContact O-N 2.95Å; S416-L418 PolarHBondContact O-N 2.94Å; S416-D419 WeakPolarHBondContact CB-OD2 3.32Å; S416-D419 PolarHBondContact N-OD2 3.1Å; S416-D419 WeakPolarHBondContact O-CB 3.44Å; S416-D419 PolarHBondContact O-N 3.13Å; S416-D419 PolarHBondContact OG-N 3.34Å; S416-D419 PolarHBondContact OG-OD2 3.15Å; S416-L420 WeakPolarHBondContact O-CG 3.21Å; S416-L420 PolarHBondContact O-N 2.96Å
417	P	65.9	Low	71.3	Confident	79 Å²	79	61.8 Å²	61.8	51%	0.513	32%	0.318	S	S	.	.	H	α-helix	trans	-56.6	-34.1	173.3	-24.7	34.6	0	0	0	113.2	L420 Q421	P417-L420 PolarHBondContact O-N 3.01Å; P417-Q421 WeakPolarHBondContact O-CB 3.28Å; P417-Q421 PolarHBondContact O-N 3.19Å
418	L	68.3	Low	70	Confident	112 Å²	112	65.2 Å²	65.2	59%	0.586	33%	0.333	S	S	*	.	H	α-helix	trans	-68.7	-41.7	174.8	-76	157.8	0	0	0	111.4	S416 L420 Q421 A422	S416-L418 PolarHBondContact O-N 2.94Å; L418-L420 VanDerWaalsContact C-N 3.33Å; L418-L420 PolarHBondContact O-N 3.05Å; L418-Q421 PolarHBondContact O-N 2.98Å; L418-A422 WeakPolarHBondContact O-CB 3.43Å; L418-A422 PolarHBondContact O-N 3Å
419	D	70.5	Confident	68.3	Low	47 Å²	47	71 Å²	71	25%	0.251	36%	0.364	S	S	.	.	H	α-helix	trans	-60.3	-45.9	174.1	-64.3	-43.8	0	0	0	110	R413 P415 S416 Q421 A422 F423	R413-D419 IonicContact CZ-OD2 3.62Å; R413-D419 IonicContact NH1-OD2 3.57Å; R413-D419 IonicContact NH2-OD2 2.58Å; R413-D419 PolarHBondContact NH2-OD2 3.1Å; P415-D419 HydrophobicContact CB-CB 4.26Å; S416-D419 WeakPolarHBondContact CB-OD2 3.32Å; S416-D419 PolarHBondContact N-OD2 3.1Å; S416-D419 WeakPolarHBondContact O-CB 3.44Å; S416-D419 PolarHBondContact O-N 3.13Å; S416-D419 PolarHBondContact OG-N 3.34Å; S416-D419 PolarHBondContact OG-OD2 3.15Å; D419-Q421 PolarHBondContact O-N 3.34Å; D419-A422 WeakPolarHBondContact O-CB 3.26Å; D419-A422 PolarHBondContact O-N 2.73Å; D419-F423 VanDerWaalsContact C-CD2 3.49Å; D419-F423 HydrophobicContact CB-CD2 4.38Å; D419-F423 HydrophobicContact CB-CE2 4.09Å; D419-F423 WeakPolarHBondContact O-CD2 3.46Å; D419-F423 WeakPolarHBondContact O-CG 3.16Å; D419-F423 PolarHBondContact O-N 3.29Å
420	L	67.3	Low	66.8	Low	90 Å²	90	74.7 Å²	74.7	47%	0.471	39%	0.39	S	S	.	.	H	α-helix	trans	-60.7	-43.1	176.4	-68	172	0	0	0	112.1	P415 S416 P417 L418 A422 F423 D424	P415-L420 HydrophobicContact CB-CD2 4.02Å; P415-L420 HydrophobicContact CB-CG 4.1Å; S416-L420 WeakPolarHBondContact O-CG 3.21Å; S416-L420 PolarHBondContact O-N 2.96Å; P417-L420 PolarHBondContact O-N 3.01Å; L418-L420 VanDerWaalsContact C-N 3.33Å; L418-L420 PolarHBondContact O-N 3.05Å; L420-A422 VanDerWaalsContact C-N 3.34Å; L420-A422 PolarHBondContact O-N 2.92Å; L420-F423 PolarHBondContact O-N 3.33Å; L420-D424 PolarHBondContact O-N 3.17Å
421	Q	66.8	Low	65.2	Low	125 Å²	125	80.1 Å²	80.1	58%	0.584	42%	0.415	S	S	*	.	H	α-helix	trans	-65.4	-37.5	175.7	-171.6	179.7	18.4	0	0	112.2	P417 L418 D419 D424 S425	P417-Q421 WeakPolarHBondContact O-CB 3.28Å; P417-Q421 PolarHBondContact O-N 3.19Å; L418-Q421 PolarHBondContact O-N 2.98Å; D419-Q421 PolarHBondContact O-N 3.34Å; Q421-D424 PolarHBondContact O-N 3.41Å; Q421-S425 WeakPolarHBondContact O-CB 3.4Å; Q421-S425 PolarHBondContact O-N 3.34Å; Q421-S425 PolarHBondContact O-OG 3.23Å
422	A	67.5	Low	63.6	Low	49 Å²	49	85.6 Å²	85.6	41%	0.405	44%	0.439	S	S	.	.	H	α-helix	trans	-66.1	-41.1	174.7	0	0	0	0	0	111.1	L418 D419 L420 S425 Q426	L418-A422 WeakPolarHBondContact O-CB 3.43Å; L418-A422 PolarHBondContact O-N 3Å; D419-A422 WeakPolarHBondContact O-CB 3.26Å; D419-A422 PolarHBondContact O-N 2.73Å; L420-A422 VanDerWaalsContact C-N 3.34Å; L420-A422 PolarHBondContact O-N 2.92Å; A422-S425 PolarHBondContact O-N 2.89Å; A422-Q426 WeakPolarHBondContact O-CB 3.37Å; A422-Q426 WeakPolarHBondContact O-CG 3.31Å; A422-Q426 PolarHBondContact O-N 3.06Å
423	F	62.1	Low	62	Low	120 Å²	120	88.7 Å²	88.7	53%	0.526	47%	0.471	S	S	.	.	H	α-helix	trans	-60.9	-45.2	172.5	-74.2	-60.7	0	0	0	111.4	D419 L420 S425 Q426 R427	D419-F423 VanDerWaalsContact C-CD2 3.49Å; D419-F423 HydrophobicContact CB-CD2 4.38Å; D419-F423 HydrophobicContact CB-CE2 4.09Å; D419-F423 WeakPolarHBondContact O-CD2 3.46Å; D419-F423 WeakPolarHBondContact O-CG 3.16Å; D419-F423 PolarHBondContact O-N 3.29Å; L420-F423 PolarHBondContact O-N 3.33Å; F423-S425 VanDerWaalsContact C-N 3.33Å; F423-S425 PolarHBondContact O-N 3.29Å; F423-Q426 PolarHBondContact O-N 3.13Å; F423-R427 WeakPolarHBondContact O-CB 3.32Å; F423-R427 PolarHBondContact O-N 2.92Å
424	D	63.7	Low	60.4	Low	87 Å²	87	92.1 Å²	92.1	47%	0.465	49%	0.491	S	S	.	.	H	α-helix	trans	-65.5	-35.3	176.6	-77.4	-22	0	0	0	112.5	L420 Q421 R427 K428	L420-D424 PolarHBondContact O-N 3.17Å; Q421-D424 PolarHBondContact O-N 3.41Å; D424-R427 WeakPolarHBondContact O-CB 3.33Å; D424-R427 PolarHBondContact O-N 2.98Å; D424-K428 WeakPolarHBondContact O-CG 3.1Å; D424-K428 PolarHBondContact O-N 3.44Å
425	S	58.7	Low	58.8	Low	56 Å²	56	96.6 Å²	96.6	39%	0.392	52%	0.515	S	S	.	.	H	α-helix	trans	-72.1	-42.6	177.8	-58.4	0	0	0	0	111.7	Q421 A422 F423 R427 K428 L429	Q421-S425 WeakPolarHBondContact O-CB 3.4Å; Q421-S425 PolarHBondContact O-N 3.34Å; Q421-S425 PolarHBondContact O-OG 3.23Å; A422-S425 PolarHBondContact O-N 2.89Å; F423-S425 VanDerWaalsContact C-N 3.33Å; F423-S425 PolarHBondContact O-N 3.29Å; S425-R427 VanDerWaalsContact C-N 3.27Å; S425-R427 PolarHBondContact O-N 3.45Å; S425-K428 PolarHBondContact O-N 3.38Å; S425-L429 WeakPolarHBondContact O-CB 3.32Å; S425-L429 PolarHBondContact O-N 3.35Å
426	Q	54.4	Low	57	Low	128 Å²	128	100.3 Å²	100.3	60%	0.598	53%	0.527	S	S	*	.	H	α-helix	trans	-60.9	-39	171.5	-78.1	-178.7	-14	0	0	111	A422 F423 L429 S430	A422-Q426 WeakPolarHBondContact O-CB 3.37Å; A422-Q426 WeakPolarHBondContact O-CG 3.31Å; A422-Q426 PolarHBondContact O-N 3.06Å; F423-Q426 PolarHBondContact O-N 3.13Å; Q426-L429 PolarHBondContact O-N 3.46Å; Q426-S430 WeakPolarHBondContact O-CB 3.11Å; Q426-S430 PolarHBondContact O-N 3.06Å; Q426-S430 PolarHBondContact O-OG 3.29Å
427	R	53.1	Low	55.1	Low	93 Å²	93	103.8 Å²	103.8	35%	0.351	56%	0.557	S	S	.	*	H	α-helix	trans	-62.2	-50.1	174	-162.9	-176.6	-162.9	164.1	0.8	111.3	P249 F423 D424 S425 L429 S430 E431	P249-R427 VanDerWaalsContact CD-NH2 3.31Å; P249-R427 VanDerWaalsContact CG-NH2 3.28Å; F423-R427 WeakPolarHBondContact O-CB 3.32Å; F423-R427 PolarHBondContact O-N 2.92Å; D424-R427 WeakPolarHBondContact O-CB 3.33Å; D424-R427 PolarHBondContact O-N 2.98Å; S425-R427 VanDerWaalsContact C-N 3.27Å; S425-R427 PolarHBondContact O-N 3.45Å; R427-L429 VanDerWaalsContact C-N 3.33Å; R427-L429 PolarHBondContact O-N 3.32Å; R427-S430 PolarHBondContact O-N 2.96Å; R427-S430 VanDerWaalsContact O-N 3.12Å; R427-S430 PolarHBondContact O-OG 3.39Å; R427-E431 WeakPolarHBondContact O-CG 3.5Å; R427-E431 PolarHBondContact O-N 3.46Å
428	K	54.8	Low	53.5	Low	143 Å²	143	107 Å²	107	62%	0.622	57%	0.57	S	S	*	*	H	α-helix	trans	-61.2	-37.6	176	-76.3	178.8	-178.6	176.5	0	112.9	D424 S425 E431 F432	D424-K428 WeakPolarHBondContact O-CG 3.1Å; D424-K428 PolarHBondContact O-N 3.44Å; S425-K428 PolarHBondContact O-N 3.38Å; K428-E431 PolarHBondContact O-N 3.27Å; K428-F432 WeakPolarHBondContact O-CB 3.41Å; K428-F432 PolarHBondContact O-N 3.35Å
429	L	51.1	Low	51.8	Low	130 Å²	130	110.2 Å²	110.2	68%	0.681	58%	0.582	S	S	*	*	H	α-helix	trans	-67.2	-38.5	173.8	-97.2	148.6	0	0	0	112	S425 Q426 R427 E431 F432 G433	S425-L429 WeakPolarHBondContact O-CB 3.32Å; S425-L429 PolarHBondContact O-N 3.35Å; Q426-L429 PolarHBondContact O-N 3.46Å; R427-L429 VanDerWaalsContact C-N 3.33Å; R427-L429 PolarHBondContact O-N 3.32Å; L429-E431 VanDerWaalsContact C-N 3.33Å; L429-F432 PolarHBondContact O-N 2.9Å; L429-G433 PolarHBondContact O-N 2.91Å
430	S	52.7	Low	50	Low	77 Å²	77	115.3 Å²	115.3	54%	0.538	61%	0.608	S	S	.	*	H	α-helix	trans	-66.9	-35.4	174.5	74.5	0	0	0	0	112.1	Q426 R427	Q426-S430 WeakPolarHBondContact O-CB 3.11Å; Q426-S430 PolarHBondContact O-N 3.06Å; Q426-S430 PolarHBondContact O-OG 3.29Å; R427-S430 PolarHBondContact O-N 2.96Å; R427-S430 VanDerWaalsContact O-N 3.12Å; R427-S430 PolarHBondContact O-OG 3.39Å
431	E	51.2	Low	48.2	Very low	113 Å²	113	116.4 Å²	116.4	53%	0.528	62%	0.624	S	S	.	*	H	α-helix	trans	-75	-37.5	175	-72.1	174.6	-177.7	0	0	112	R427 K428 L429 Q434	R427-E431 WeakPolarHBondContact O-CG 3.5Å; R427-E431 PolarHBondContact O-N 3.46Å; K428-E431 PolarHBondContact O-N 3.27Å; L429-E431 VanDerWaalsContact C-N 3.33Å; E431-Q434 PolarHBondContact O-N 3.39Å
432	F	49.6	Very low	46.3	Very low	128 Å²	128	121 Å²	121	56%	0.561	64%	0.637	S	S	*	*	H	α-helix	trans	-71.9	-29.1	175.3	-107.7	-84.3	0	0	0	113	K428 L429 Q434 N435 Q436	K428-F432 WeakPolarHBondContact O-CB 3.41Å; K428-F432 PolarHBondContact O-N 3.35Å; L429-F432 PolarHBondContact O-N 2.9Å; F432-Q434 PolarHBondContact O-N 3.36Å; F432-N435 CarbonylContact O-C 3.55Å; F432-N435 PolarHBondContact O-N 3.07Å; F432-N435 VanDerWaalsContact O-N 3.08Å; F432-Q436 HydrophobicContact CD1-CG 4.11Å; F432-Q436 VanDerWaalsContact CD1-NE2 3.3Å; F432-Q436 HydrophobicContact CE1-CG 4.41Å
433	G	46.4	Very low	44.4	Very low	69 Å²	69	123.9 Å²	123.9	71%	0.711	65%	0.654	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.2	-17.4	174.4	0	0	0	0	0	113.9	L429	L429-G433 PolarHBondContact O-N 2.91Å
434	Q	47.9	Very low	42.7	Very low	164 Å²	164	123.4 Å²	123.4	77%	0.766	67%	0.666	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.3	-12	174.6	-75.4	-173.7	-14.2	0	0	114.2	E431 F432	E431-Q434 PolarHBondContact O-N 3.39Å; F432-Q434 PolarHBondContact O-N 3.36Å
435	N	39.6	Very low	41.3	Very low	134 Å²	134	124.3 Å²	124.3	72%	0.717	68%	0.676	S	S	*	*	S	Bend	trans	-140.1	59.7	-174.4	-71.5	-43.3	0	0	0	113.1	F432	F432-N435 CarbonylContact O-C 3.55Å; F432-N435 PolarHBondContact O-N 3.07Å; F432-N435 VanDerWaalsContact O-N 3.08Å
436	Q	33.9	Very low	39.7	Very low	145 Å²	145	129.1 Å²	129.1	68%	0.678	70%	0.698	S	S	*	*			trans	-139.3	74.3	156.1	-75.8	-162.5	30.8	0	0	111.5	F432	F432-Q436 HydrophobicContact CD1-CG 4.11Å; F432-Q436 VanDerWaalsContact CD1-NE2 3.3Å; F432-Q436 HydrophobicContact CE1-CG 4.41Å
437	A	32	Very low	38.4	Very low	91 Å²	91	131.2 Å²	131.2	75%	0.752	71%	0.71	S	S	*	*	S	Bend	trans	-98.9	118.3	132.1	0	0	0	0	0	106.5
438	N	32.8	Very low	37	Very low	145 Å²	145	130.9 Å²	130.9	78%	0.775	72%	0.722	S	S	*	*	S	Bend	trans	97.8	111.9	170.7	-59.8	-31.2	0	0	0	119.1
439	Q	32.9	Very low	35.7	Very low	180 Å²	180	131.4 Å²	131.4	84%	0.841	73%	0.731	S	S	*	*			trans	86.6	95.2	144.1	-64.8	-174.5	15.9	0	0	119.3	S441	Q439-S441 PolarHBondContact O-N 3.05Å
440	L	31.5	Very low	34.6	Very low	154 Å²	154	133.2 Å²	133.2	81%	0.806	74%	0.74	S	S	*	*			trans	-27.7	121.8	145.9	-69.2	153.4	0	0	0	113.5
441	S	29.7	Very low	33.2	Very low	114 Å²	114	134 Å²	134	80%	0.797	75%	0.745	S	S	*	*			trans	-158.4	104.8	148.2	-72.9	0	0	0	0	108	Q439 S443	Q439-S441 PolarHBondContact O-N 3.05Å; S441-S443 PolarHBondContact O-N 3.5Å
442	Y	26.7	Very low	32.1	Very low	220 Å²	220	134.6 Å²	134.6	86%	0.863	76%	0.759	S	S	*	*			trans	-68.5	117.2	171.9	-85.6	-98.2	0	0	0	109.2
443	S	27.6	Very low	31.1	Very low	110 Å²	110	134 Å²	134	77%	0.769	77%	0.766	S	S	*	*			trans	-134	105.6	158.3	53.1	0	0	0	0	107.9	S441	S441-S443 PolarHBondContact O-N 3.5Å
444	S	27.6	Very low	30.3	Very low	110 Å²	110	136.3 Å²	136.3	77%	0.769	77%	0.769	S	S	*	*			trans	-56.8	129.4	177.9	-55.9	0	0	0	0	110.7	D446	S444-D446 PolarHBondContact O-N 3.04Å
445	P	32.4	Very low	29.5	Very low	106 Å²	106	135 Å²	135	69%	0.688	77%	0.767	S	S	*	*			trans	-77.4	118.9	176.5	29.3	-30.2	0	0	0	109.8	M447	P445-M447 PolarHBondContact O-N 2.68Å; P445-M447 VanDerWaalsContact O-N 3.14Å
446	D	25.3	Very low	29.4	Very low	158 Å²	158	136 Å²	136	85%	0.845	77%	0.765	S	S	*	*			trans	-55.6	113	170.8	-101.1	-33.4	0	0	0	110.2	S444 S448	S444-D446 PolarHBondContact O-N 3.04Å; D446-S448 PolarHBondContact O-N 3.02Å; D446-S448 VanDerWaalsContact O-N 3.14Å
447	M	27.2	Very low	29.5	Very low	172 Å²	172	134.5 Å²	134.5	85%	0.847	77%	0.77	S	S	*	*			trans	-76.9	88.1	170	-71.2	-75.3	106.2	0	0	108.5	P445	P445-M447 PolarHBondContact O-N 2.68Å; P445-M447 VanDerWaalsContact O-N 3.14Å
448	S	25	Very low	30.1	Very low	86 Å²	86	133.5 Å²	133.5	60%	0.601	75%	0.754	S	S	*	*			trans	-145.7	129.8	162.6	61.7	0	0	0	0	112.2	D446	D446-S448 PolarHBondContact O-N 3.02Å; D446-S448 VanDerWaalsContact O-N 3.14Å
449	N	25.8	Very low	30.9	Very low	153 Å²	153	131.3 Å²	131.3	82%	0.818	74%	0.738	S	S	*	*			trans	75.9	63.3	160	-53.3	-24.2	0	0	0	117.4	S451	N449-S451 PolarHBondContact O-N 3.01Å
450	I	28.2	Very low	32.1	Very low	168 Å²	168	128.6 Å²	128.6	86%	0.862	73%	0.727	S	S	*	*			trans	-81.6	101	148.7	-60.3	175.9	0	0	0	106.8
451	S	23.3	Very low	34	Very low	93 Å²	93	122.1 Å²	122.1	65%	0.65	69%	0.694	S	S	*	*	P	Polyproline II helix	trans	-55.6	141.5	167.5	48.8	0	0	0	0	110.6	N449 T453	N449-S451 PolarHBondContact O-N 3.01Å; S451-T453 PolarHBondContact O-N 2.96Å
452	P	28.6	Very low	36	Very low	127 Å²	127	119 Å²	119	83%	0.825	67%	0.671	S	S	*	*	P	Polyproline II helix	trans	-67.3	119.5	-170.5	26.6	-29.9	0	0	0	110.2
453	T	28.4	Very low	38.2	Very low	116 Å²	116	113.9 Å²	113.9	71%	0.712	67%	0.665	S	S	*	*	P	Polyproline II helix	trans	-57.9	139.3	176.2	36.9	0	0	0	0	111.7	S451	S451-T453 PolarHBondContact O-N 2.96Å
454	P	30.5	Very low	40.4	Very low	117 Å²	117	109.1 Å²	109.1	76%	0.76	63%	0.631	S	S	*	*	P	Polyproline II helix	trans	-75.9	137.1	-166.7	30.2	-33.9	0	0	0	113.2
455	N	31.4	Very low	42.7	Very low	137 Å²	137	105.4 Å²	105.4	73%	0.733	61%	0.605	S	S	*	*			trans	25.6	88.2	160.5	-65.3	-12.4	0	0	0	117.1	S457	N455-S457 PolarHBondContact O-N 2.95Å
456	K	36.6	Very low	44.6	Very low	155 Å²	155	104.9 Å²	104.9	67%	0.674	60%	0.6	S	S	*	*	G	3₁₀ helix	trans	-58.3	-9	174.2	-74.5	-178.3	173.1	-174.7	0	115.6	V458	K456-V458 PolarHBondContact O-N 3Å; K456-V458 VanDerWaalsContact O-N 3.09Å
457	S	36.7	Very low	46.7	Very low	112 Å²	112	100.2 Å²	100.2	78%	0.783	57%	0.572	S	S	*	*	G	3₁₀ helix	trans	-77.1	10.5	-171.8	63.9	0	0	0	0	115.7	N455	N455-S457 PolarHBondContact O-N 2.95Å
458	V	43.6	Very low	48.9	Very low	70 Å²	70	92.3 Å²	92.3	42%	0.424	53%	0.533	S	S	.	.	G	3₁₀ helix	trans	-102.8	-15.6	-168.7	166.9	0	0	0	0	113.9	K456	K456-V458 PolarHBondContact O-N 3Å; K456-V458 VanDerWaalsContact O-N 3.09Å
459	K	49.2	Very low	51.4	Low	99 Å²	99	90.4 Å²	90.4	43%	0.43	52%	0.516	S	S	.	.	S	Bend	trans	-93.4	123.6	-174	-156.8	160.8	-171.7	152.5	0	111.1	V244 Y246	V244-K459 PolarHBondContact O-NZ 2.86Å; V244-K459 VanDerWaalsContact O-NZ 3.15Å; Y246-K459 WeakPolarHBondContact OH-CE 3.49Å; Y246-K459 PolarHBondContact OH-NZ 3.19Å
460	M	59.5	Low	53.8	Low	123 Å²	123	86.3 Å²	86.3	61%	0.606	49%	0.493	S	S	*	.	P	Polyproline II helix	trans	-60.1	135.7	171.1	-72.9	-171.4	73.7	0	0	109.8	V632	M460-V632 HydrophobicContact CE-CG2 4.08Å; M460-V632 HydrophobicContact CG-CG2 4.09Å
461	P	71.3	Confident	56.2	Low	18 Å²	18	79.9 Å²	79.9	12%	0.117	46%	0.458	C	S	.	.	P	Polyproline II helix	trans	-64.6	153.6	175.2	25.7	-31.1	0	0	0	110.4	V612 L621 V632	P461-V612 HydrophobicContact CB-CG2 3.84Å; P461-V612 HydrophobicContact CG-CG2 4.46Å; P461-L621 HydrophobicContact CB-CD2 3.76Å; P461-V632 HydrophobicContact CG-CG1 3.87Å; P461-V632 HydrophobicContact CG-CG2 4.43Å
462	P	72.1	Confident	59.2	Low	49 Å²	49	75.5 Å²	75.5	32%	0.318	43%	0.428	S	S	.	.	P	Polyproline II helix	trans	-52.3	132.2	168.9	-23.9	33.8	0	0	0	110.6	Y411 L414 L621	Y411-P462 PolarHBondContact OH-O 3.34Å; L414-P462 HydrophobicContact CD2-CG 4.26Å; P462-L621 HydrophobicContact CB-CD1 4.04Å; P462-L621 HydrophobicContact CG-CD1 3.93Å
463	P	71.3	Confident	61.9	Low	112 Å²	112	71.4 Å²	71.4	73%	0.727	40%	0.397	S	S	*	.	P	Polyproline II helix	trans	-63.9	148.9	-178	26.9	-34.1	0	0	0	110.6
464	P	75.1	Confident	64.5	Low	10 Å²	10	68.1 Å²	68.1	7%	0.065	38%	0.382	C	S	.	.	P	Polyproline II helix	trans	-61.7	152.3	173.8	-19.2	30.9	0	0	0	111.6	Y411 T466 L469 L623	Y411-P464 HydrophobicContact CE1-CB 4.21Å; Y411-P464 HydrophobicContact CE1-CG 3.9Å; Y411-P464 HydrophobicContact CE2-CB 4.23Å; Y411-P464 HydrophobicContact CE2-CG 4.35Å; P464-T466 PolarHBondContact O-N 2.82Å; P464-L469 HydrophobicContact CB-CB 4.43Å; P464-L469 HydrophobicContact CB-CD1 4.18Å; P464-L469 HydrophobicContact CG-CD1 4Å; P464-L623 HydrophobicContact CB-CD2 3.72Å; P464-L623 HydrophobicContact CG-CD2 3.56Å
465	P	74.2	Confident	67.1	Low	33 Å²	33	62.6 Å²	62.6	21%	0.214	35%	0.346	C	S	.	.	P	Polyproline II helix	trans	-54.3	127.4	172.9	-25	34.3	0	0	0	111.5	F467 I468 L469	P465-F467 VanDerWaalsContact C-N 3.25Å; P465-F467 HydrophobicContact CB-CD1 3.91Å; P465-F467 HydrophobicContact CB-CE1 3.62Å; P465-F467 HydrophobicContact CB-CZ 4.45Å; P465-F467 PolarHBondContact O-N 3Å; P465-F467 VanDerWaalsContact O-N 3.11Å; P465-I468 HydrophobicContact CB-CD1 4.13Å; P465-I468 HydrophobicContact CB-CG1 4.24Å; P465-I468 HydrophobicContact CG-CD1 4.05Å; P465-I468 PolarHBondContact O-N 3.4Å; P465-L469 PolarHBondContact O-N 3.26Å
466	T	72.8	Confident	69.9	Low	95 Å²	95	56 Å²	56	58%	0.583	31%	0.311	S	S	*	.	H	α-helix	trans	-53.7	-39.4	-170.3	-50.2	0	0	0	0	113.3	P464 L469 L470	P464-T466 PolarHBondContact O-N 2.82Å; T466-L469 PolarHBondContact O-N 3.02Å; T466-L470 HydrophobicContact CG2-CD1 3.99Å; T466-L470 HydrophobicContact CG2-CG 4.26Å; T466-L470 WeakPolarHBondContact O-CG 3.15Å; T466-L470 PolarHBondContact O-N 2.91Å
467	F	70.2	Confident	72.3	Confident	60 Å²	60	51.1 Å²	51.1	26%	0.263	30%	0.296	S	S	.	.	H	α-helix	trans	-66.9	-37.5	-178.6	75	-88.4	0	0	0	112.8	L123 P404 P465 R471	L123-F467 HydrophobicContact CD1-CZ 4.08Å; P404-F467 HydrophobicContact CG-CE2 4.3Å; P465-F467 VanDerWaalsContact C-N 3.25Å; P465-F467 HydrophobicContact CB-CD1 3.91Å; P465-F467 HydrophobicContact CB-CE1 3.62Å; P465-F467 HydrophobicContact CB-CZ 4.45Å; P465-F467 PolarHBondContact O-N 3Å; P465-F467 VanDerWaalsContact O-N 3.11Å; F467-R471 PolarHBondContact O-N 2.9Å
468	I	73.4	Confident	74.7	Confident	5 Å²	5	47.1 Å²	47.1	3%	0.026	27%	0.27	C	S	.	.	H	α-helix	trans	-68.1	-47.8	175.2	-58.2	180	0	0	0	108.7	Y115 L406 P465 L470 R471 R472 L623	Y115-I468 HydrophobicContact CE1-CD1 4.16Å; L406-I468 HydrophobicContact CD1-CG2 4.28Å; L406-I468 HydrophobicContact CD2-CD1 4.26Å; P465-I468 HydrophobicContact CB-CD1 4.13Å; P465-I468 HydrophobicContact CB-CG1 4.24Å; P465-I468 HydrophobicContact CG-CD1 4.05Å; P465-I468 PolarHBondContact O-N 3.4Å; I468-L470 PolarHBondContact O-N 3.26Å; I468-R471 PolarHBondContact O-N 2.93Å; I468-R472 HydrophobicContact CG2-CG 4.18Å; I468-R472 WeakPolarHBondContact O-CB 3.43Å; I468-R472 WeakPolarHBondContact O-CG 3.48Å; I468-R472 PolarHBondContact O-N 3.15Å; I468-L623 HydrophobicContact CG2-CD1 3.85Å
469	L	77.2	Confident	77	Confident	47 Å²	47	43.8 Å²	43.8	25%	0.246	25%	0.25	C	C	.	.	H	α-helix	trans	-58.5	-46	-178.1	-172.5	145.8	0	0	0	111.9	P464 P465 T466 Q473 L608	P464-L469 HydrophobicContact CB-CB 4.43Å; P464-L469 HydrophobicContact CB-CD1 4.18Å; P464-L469 HydrophobicContact CG-CD1 4Å; P465-L469 PolarHBondContact O-N 3.26Å; T466-L469 PolarHBondContact O-N 3.02Å; L469-Q473 WeakPolarHBondContact O-CB 3.34Å; L469-Q473 PolarHBondContact O-N 3.07Å; L469-L608 HydrophobicContact CG-CD2 4.44Å
470	L	77	Confident	79.1	Confident	66 Å²	66	40.6 Å²	40.6	35%	0.346	24%	0.236	S	C	.	.	H	α-helix	trans	-64.4	-45.7	-178.5	-72.5	175.2	0	0	0	112.7	M384 L388 T466 I468 Q473 A474	M384-L470 HydrophobicContact SD-CD1 4.28Å; L388-L470 HydrophobicContact CD1-CD1 4.21Å; L388-L470 HydrophobicContact CD2-CB 4.32Å; T466-L470 HydrophobicContact CG2-CD1 3.99Å; T466-L470 HydrophobicContact CG2-CG 4.26Å; T466-L470 WeakPolarHBondContact O-CG 3.15Å; T466-L470 PolarHBondContact O-N 2.91Å; I468-L470 PolarHBondContact O-N 3.26Å; L470-Q473 PolarHBondContact O-N 3.34Å; L470-A474 PolarHBondContact O-N 3.44Å; L470-A474 VanDerWaalsContact O-N 3.09Å
471	R	78.6	Confident	80.4	Confident	33 Å²	33	39.9 Å²	39.9	13%	0.125	23%	0.234	C	C	.	.	H	α-helix	trans	-67.5	-40.6	179.5	-69.3	-174.9	170.9	159.5	-7	112	T387 L388 L390 W402 F467 I468 A474 M475	T387-R471 PolarHBondContact O-NH2 2.84Å; T387-R471 VanDerWaalsContact O-NH2 3.11Å; L388-R471 HydrophobicContact CD2-CG 3.82Å; L388-R471 PolarHBondContact O-NH2 2.93Å; L390-R471 PolarHBondContact O-NH2 3.13Å; W402-R471 WeakPolarHBondContact O-CB 3.49Å; F467-R471 PolarHBondContact O-N 2.9Å; I468-R471 PolarHBondContact O-N 2.93Å; R471-A474 WeakPolarHBondContact O-CB 3.45Å; R471-A474 PolarHBondContact O-N 3.04Å; R471-M475 PolarHBondContact O-N 2.63Å; R471-M475 VanDerWaalsContact O-N 3.13Å
472	R	85.1	Confident	81.3	Confident	1 Å²	1	41.4 Å²	41.4	0%	0.004	25%	0.245	C	C	.	.	H	α-helix	trans	-70	-33.5	176.3	-69	-60.6	-167.2	-96.3	-22.9	113	W402 P404 I468 A474 M475 V476 D576 V577 L608 L623	W402-R472 PolarHBondContact O-NH1 2.78Å; P404-R472 PolarHBondContact O-NH2 3.3Å; I468-R472 HydrophobicContact CG2-CG 4.18Å; I468-R472 WeakPolarHBondContact O-CB 3.43Å; I468-R472 WeakPolarHBondContact O-CG 3.48Å; I468-R472 PolarHBondContact O-N 3.15Å; R472-A474 VanDerWaalsContact C-N 3.33Å; R472-M475 WeakPolarHBondContact O-CB 3.44Å; R472-M475 PolarHBondContact O-N 3.1Å; R472-V476 VanDerWaalsContact O-CG2 3.32Å; R472-V476 WeakPolarHBondContact O-CG2 3.21Å; R472-V476 PolarHBondContact O-N 3.3Å; R472-D576 IonicContact CZ-OD1 2.81Å; R472-D576 VanDerWaalsContact CZ-OD1 3.28Å; R472-D576 IonicContact CZ-OD2 3.86Å; R472-D576 IonicContact NE-OD1 3.05Å; R472-D576 PolarHBondContact NE-OD1 3.31Å; R472-D576 IonicContact NE-OD2 2.8Å; R472-D576 IonicContact NH2-OD1 3.13Å; R472-D576 PolarHBondContact NH2-OD1 3.21Å; R472-D576 VanDerWaalsContact NH2-OD1 3.13Å; R472-D576 IonicContact NH2-OD2 2.67Å; R472-D576 PolarHBondContact NH2-OD2 2.66Å; R472-V577 HydrophobicContact CB-CG2 4.31Å; R472-V577 HydrophobicContact CG-CG2 4.34Å; R472-L608 HydrophobicContact CB-CD2 3.24Å; R472-L608 HydrophobicContact CG-CD2 4.41Å; R472-L623 HydrophobicContact CG-CD1 4.4Å
473	Q	85	Confident	82.4	Confident	41 Å²	41	39 Å²	39	19%	0.192	23%	0.229	C	C	.	.	H	α-helix	trans	-64.7	-39.7	172.8	-177.1	62.7	58.7	0	0	111	L469 L470 V476 C477 L608	L469-Q473 WeakPolarHBondContact O-CB 3.34Å; L469-Q473 PolarHBondContact O-N 3.07Å; L470-Q473 PolarHBondContact O-N 3.34Å; Q473-V476 PolarHBondContact O-N 3.49Å; Q473-C477 PolarHBondContact NE2-SG 2.99Å; Q473-C477 VanDerWaalsContact NE2-SG 3.4Å; Q473-C477 WeakPolarHBondContact O-CB 3.35Å; Q473-C477 PolarHBondContact O-N 3.13Å; Q473-C477 PolarHBondContact O-SG 3.1Å; Q473-L608 VanDerWaalsContact OE1-CB 3.23Å
474	A	82.5	Confident	83.3	Confident	48 Å²	48	40.9 Å²	40.9	40%	0.397	22%	0.222	S	C	.	.	H	α-helix	trans	-62.2	-42.5	175	0	0	0	0	0	112.1	W402 L470 R471 R472 C477 A478	W402-A474 HydrophobicContact CZ3-CB 4.03Å; L470-A474 PolarHBondContact O-N 3.44Å; L470-A474 VanDerWaalsContact O-N 3.09Å; R471-A474 WeakPolarHBondContact O-CB 3.45Å; R471-A474 PolarHBondContact O-N 3.04Å; R472-A474 VanDerWaalsContact C-N 3.33Å; A474-C477 PolarHBondContact O-N 2.82Å; A474-A478 PolarHBondContact O-N 2.9Å
475	M	87.1	Confident	84	Confident	0 Å²	0	47.9 Å²	47.9	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-57.6	-49.5	173.3	-175.1	-171.5	75.5	0	0	111.8	W402 R471 R472 C477 A478 L479 I517 L519 V577	W402-M475 HydrophobicContact CD2-CB 3.82Å; W402-M475 HydrophobicContact CD2-CG 4.01Å; W402-M475 HydrophobicContact CE3-CB 3.61Å; W402-M475 HydrophobicContact CE3-CG 4.31Å; W402-M475 HydrophobicContact CG-CB 4.38Å; W402-M475 HydrophobicContact CG-CG 4.3Å; W402-M475 HydrophobicContact CG-SD 4.28Å; W402-M475 HydrophobicContact CH2-CB 4.37Å; W402-M475 HydrophobicContact CZ3-CB 3.91Å; R471-M475 PolarHBondContact O-N 2.63Å; R471-M475 VanDerWaalsContact O-N 3.13Å; R472-M475 WeakPolarHBondContact O-CB 3.44Å; R472-M475 PolarHBondContact O-N 3.1Å; M475-C477 VanDerWaalsContact C-N 3.34Å; M475-C477 PolarHBondContact O-N 2.96Å; M475-A478 PolarHBondContact O-N 3.12Å; M475-L479 PolarHBondContact O-N 3.03Å; M475-I517 HydrophobicContact CG-CB 4.48Å; M475-I517 HydrophobicContact CG-CD1 3.48Å; M475-I517 VanDerWaalsContact CG-CD1 3.48Å; M475-I517 HydrophobicContact CG-CG2 4.29Å; M475-I517 HydrophobicContact SD-CD1 3.93Å; M475-L519 HydrophobicContact SD-CD1 3.81Å; M475-V577 HydrophobicContact CE-CB 4.47Å; M475-V577 HydrophobicContact CE-CG2 3.89Å
476	V	89.3	Confident	84.9	Confident	0 Å²	0	48.6 Å²	48.6	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-62.7	-40.4	178.7	171.9	0	0	0	0	111.5	R472 Q473 A478 L479 Q480 L602 L625	R472-V476 VanDerWaalsContact O-CG2 3.32Å; R472-V476 WeakPolarHBondContact O-CG2 3.21Å; R472-V476 PolarHBondContact O-N 3.3Å; Q473-V476 PolarHBondContact O-N 3.49Å; V476-A478 VanDerWaalsContact C-N 3.34Å; V476-A478 PolarHBondContact O-N 2.91Å; V476-L479 PolarHBondContact O-N 2.78Å; V476-Q480 HydrophobicContact CG1-CG 4.31Å; V476-Q480 VanDerWaalsContact O-CG 3.31Å; V476-Q480 WeakPolarHBondContact O-CG 3.39Å; V476-Q480 PolarHBondContact O-N 2.84Å; V476-L602 HydrophobicContact CG1-CD2 4.44Å; V476-L625 HydrophobicContact CG1-CD2 3.81Å; V476-L625 HydrophobicContact CG2-CD2 3.88Å
477	C	88	Confident	85.8	Confident	52 Å²	52	44.1 Å²	44.1	35%	0.351	22%	0.224	S	C	.	.	H	α-helix	trans	-61.4	-40.8	176	-72.4	0	0	0	0	112.2	Q473 A474 M475 L481	Q473-C477 PolarHBondContact NE2-SG 2.99Å; Q473-C477 VanDerWaalsContact NE2-SG 3.4Å; Q473-C477 WeakPolarHBondContact O-CB 3.35Å; Q473-C477 PolarHBondContact O-N 3.13Å; Q473-C477 PolarHBondContact O-SG 3.1Å; A474-C477 PolarHBondContact O-N 2.82Å; M475-C477 VanDerWaalsContact C-N 3.34Å; M475-C477 PolarHBondContact O-N 2.96Å; C477-L481 WeakPolarHBondContact O-CG 2.84Å; C477-L481 PolarHBondContact O-N 2.67Å
478	A	87	Confident	86.8	Confident	28 Å²	28	44.5 Å²	44.5	23%	0.231	24%	0.235	C	C	.	.	H	α-helix	trans	-63	-45.7	175.7	0	0	0	0	0	111.2	A474 M475 V476 L481 I517	A474-A478 PolarHBondContact O-N 2.9Å; M475-A478 PolarHBondContact O-N 3.12Å; V476-A478 VanDerWaalsContact C-N 3.34Å; V476-A478 PolarHBondContact O-N 2.91Å; A478-L481 PolarHBondContact O-N 3.13Å; A478-I517 HydrophobicContact CB-CG2 3.75Å
479	L	91.8	Very high	87.6	Confident	0 Å²	0	47.7 Å²	47.7	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-60.2	-46.1	176	-74.3	170	0	0	0	112.8	M475 V476 L481 C482 C483 V513 S516 I517 I574	M475-L479 PolarHBondContact O-N 3.03Å; V476-L479 PolarHBondContact O-N 2.78Å; L479-L481 VanDerWaalsContact C-N 3.26Å; L479-L481 PolarHBondContact O-N 2.71Å; L479-C482 PolarHBondContact O-N 3.23Å; L479-C483 VanDerWaalsContact O-CB 3.29Å; L479-C483 WeakPolarHBondContact O-CB 3.36Å; L479-C483 PolarHBondContact O-N 2.71Å; L479-C483 PolarHBondContact O-SG 2.92Å; L479-C483 VanDerWaalsContact O-SG 3.4Å; L479-V513 HydrophobicContact CD2-CB 4.25Å; L479-V513 HydrophobicContact CD2-CG1 4.3Å; L479-V513 HydrophobicContact CD2-CG2 3.78Å; L479-S516 WeakPolarHBondContact CD2-OG 3.47Å; L479-I517 HydrophobicContact CD1-CD1 3.78Å; L479-I517 HydrophobicContact CD2-CD1 3.85Å; L479-I517 HydrophobicContact CD2-CG1 3.99Å; L479-I517 HydrophobicContact CD2-CG2 4.4Å; L479-I517 HydrophobicContact CG-CD1 3.84Å; L479-I517 HydrophobicContact CG-CG1 4.34Å; L479-I517 HydrophobicContact CG-CG2 4.17Å; L479-I574 HydrophobicContact CD1-CB 4.49Å; L479-I574 HydrophobicContact CD1-CD1 4.14Å; L479-I574 HydrophobicContact CD1-CG2 3.85Å
480	Q	92.1	Very high	88.3	Confident	31 Å²	31	45.6 Å²	45.6	15%	0.145	24%	0.238	C	C	.	.	H	α-helix	trans	-56.3	-40.8	-179.4	-78.9	173.1	-30.5	0	0	112.5	V476 R484 L602 C606	V476-Q480 HydrophobicContact CG1-CG 4.31Å; V476-Q480 VanDerWaalsContact O-CG 3.31Å; V476-Q480 WeakPolarHBondContact O-CG 3.39Å; V476-Q480 PolarHBondContact O-N 2.84Å; Q480-R484 WeakPolarHBondContact O-CB 3.48Å; Q480-R484 PolarHBondContact O-N 2.83Å; Q480-L602 WeakPolarHBondContact CA-O 3.39Å; Q480-L602 HydrophobicContact CG-CD2 4.26Å; Q480-L602 WeakPolarHBondContact CG-O 3.24Å; Q480-C606 PolarHBondContact NE2-O 3.18Å; Q480-C606 PolarHBondContact NE2-SG 3.49Å
481	L	87.1	Confident	89	Confident	108 Å²	108	44.8 Å²	44.8	57%	0.565	23%	0.232	S	C	*	.	H	α-helix	trans	-62.3	-47.1	179.8	-70	172.7	0	0	0	111.2	C477 A478 L479	C477-L481 WeakPolarHBondContact O-CG 2.84Å; C477-L481 PolarHBondContact O-N 2.67Å; A478-L481 PolarHBondContact O-N 3.13Å; L479-L481 VanDerWaalsContact C-N 3.26Å; L479-L481 PolarHBondContact O-N 2.71Å
482	C	91.2	Very high	89.4	Confident	50 Å²	50	47.5 Å²	47.5	34%	0.338	25%	0.249	S	C	.	.	H	α-helix	trans	-73.1	-43.9	-179.5	-59.2	0	0	0	0	112.4	L479 R484 E485 R486 V512 S516	L479-C482 PolarHBondContact O-N 3.23Å; C482-R484 VanDerWaalsContact C-N 3.33Å; C482-R484 PolarHBondContact O-N 3.36Å; C482-E485 PolarHBondContact O-N 3.16Å; C482-R486 PolarHBondContact O-N 3.17Å; C482-R486 VanDerWaalsContact O-N 3.11Å; C482-V512 HydrophobicContact CB-CG1 3.73Å; C482-S516 VanDerWaalsContact SG-CB 3.56Å
483	C	93.6	Very high	89.4	Confident	0 Å²	0	52.7 Å²	52.7	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-65.1	-33.3	178.7	-72.9	0	0	0	0	112.6	L479 G487 F599 L602 S603	L479-C483 VanDerWaalsContact O-CB 3.29Å; L479-C483 WeakPolarHBondContact O-CB 3.36Å; L479-C483 PolarHBondContact O-N 2.71Å; L479-C483 PolarHBondContact O-SG 2.92Å; L479-C483 VanDerWaalsContact O-SG 3.4Å; C483-G487 VanDerWaalsContact O-CA 3.27Å; C483-G487 WeakPolarHBondContact O-CA 3.36Å; C483-G487 PolarHBondContact O-N 3.04Å; C483-F599 HydrophobicContact CB-CD1 4.25Å; C483-F599 HydrophobicContact CB-CE1 4.5Å; C483-L602 HydrophobicContact CB-CB 3.68Å; C483-S603 PolarHBondContact O-OG 3.45Å
484	R	91.8	Very high	89.4	Confident	151 Å²	151	53.1 Å²	53.1	57%	0.57	27%	0.271	S	S	*	.	H	α-helix	trans	-65	-43.4	178.5	-177.9	-177.3	69.3	-177.1	0.3	112.4	Q480 C482 S488	Q480-R484 WeakPolarHBondContact O-CB 3.48Å; Q480-R484 PolarHBondContact O-N 2.83Å; C482-R484 VanDerWaalsContact C-N 3.33Å; C482-R484 PolarHBondContact O-N 3.36Å; R484-S488 WeakPolarHBondContact O-CB 3.44Å; R484-S488 PolarHBondContact O-N 2.96Å
485	E	89.1	Confident	89.4	Confident	156 Å²	156	59.4 Å²	59.4	73%	0.729	29%	0.289	S	S	*	.	H	α-helix	trans	-67.2	-53.1	177.8	-175.9	172.5	-174.5	0	0	110.3	C482 S488	C482-E485 PolarHBondContact O-N 3.16Å; E485-S488 PolarHBondContact O-N 3.49Å
486	R	93.3	Very high	88.8	Confident	49 Å²	49	65.8 Å²	65.8	19%	0.185	32%	0.319	C	S	.	.	H	α-helix	trans	-66.4	-44.1	-177.9	-172.9	58.2	177.1	156.2	-1	112.7	C482 S488 E489 L490 E508 V512 F599	C482-R486 PolarHBondContact O-N 3.17Å; C482-R486 VanDerWaalsContact O-N 3.11Å; R486-S488 VanDerWaalsContact C-N 3.33Å; R486-S488 PolarHBondContact O-N 3.27Å; R486-E489 IonicContact CZ-OE2 3.8Å; R486-E489 IonicContact NH1-OE1 2.76Å; R486-E489 PolarHBondContact NH1-OE1 3.44Å; R486-E489 IonicContact NH1-OE2 2.64Å; R486-E489 PolarHBondContact NH1-OE2 2.87Å; R486-E489 WeakPolarHBondContact O-CB 3.38Å; R486-E489 PolarHBondContact O-N 3.47Å; R486-E489 VanDerWaalsContact O-N 3.15Å; R486-L490 HydrophobicContact CG-CD1 4.12Å; R486-L490 HydrophobicContact CG-CG 4.34Å; R486-L490 WeakPolarHBondContact O-CG 2.84Å; R486-L490 PolarHBondContact O-N 3.4Å; R486-E508 IonicContact CZ-OE1 2.71Å; R486-E508 IonicContact CZ-OE2 3.56Å; R486-E508 IonicContact NE-OE2 2.67Å; R486-E508 PolarHBondContact NE-OE2 3.22Å; R486-E508 IonicContact NH2-OE1 3.62Å; R486-E508 PolarHBondContact NH2-OE1 3.17Å; R486-E508 IonicContact NH2-OE2 3.42Å; R486-E508 PolarHBondContact NH2-OE2 3.46Å; R486-V512 HydrophobicContact CB-CG2 4.02Å; R486-V512 HydrophobicContact CG-CG2 3.87Å; R486-F599 HydrophobicContact CB-CE1 4.25Å; R486-F599 HydrophobicContact CG-CE1 4.14Å; R486-F599 HydrophobicContact CG-CZ 4.42Å
487	G	92.2	Very high	87.4	Confident	0 Å²	0	68.1 Å²	68.1	0%	0	34%	0.335	C	S	.	.	H	α-helix	trans	-59.4	-41.4	179.3	0	0	0	0	0	112.3	C483 E489 L490 F491	C483-G487 VanDerWaalsContact O-CA 3.27Å; C483-G487 WeakPolarHBondContact O-CA 3.36Å; C483-G487 PolarHBondContact O-N 3.04Å; G487-E489 VanDerWaalsContact C-N 3.28Å; G487-E489 PolarHBondContact O-N 3.06Å; G487-L490 PolarHBondContact O-N 3.29Å; G487-F491 WeakPolarHBondContact O-CD2 3.21Å; G487-F491 WeakPolarHBondContact O-CG 3.26Å; G487-F491 PolarHBondContact O-N 3.24Å
488	S	89.9	Confident	85.6	Confident	69 Å²	69	71.7 Å²	71.7	48%	0.483	36%	0.359	S	S	.	.	H	α-helix	trans	-56.4	-42.5	175.5	-177.1	0	0	0	0	112.2	R484 E485 R486 L492	R484-S488 WeakPolarHBondContact O-CB 3.44Å; R484-S488 PolarHBondContact O-N 2.96Å; E485-S488 PolarHBondContact O-N 3.49Å; R486-S488 VanDerWaalsContact C-N 3.33Å; R486-S488 PolarHBondContact O-N 3.27Å; S488-L492 WeakPolarHBondContact O-CB 3.28Å; S488-L492 WeakPolarHBondContact O-CD1 3.31Å; S488-L492 WeakPolarHBondContact O-CG 3.38Å; S488-L492 PolarHBondContact O-N 3.12Å
489	E	90.7	Very high	83.8	Confident	72 Å²	72	73.8 Å²	73.8	34%	0.336	37%	0.372	S	S	.	.	H	α-helix	trans	-68.8	-44	178.4	-173	-170.7	158.5	0	0	111.8	R486 G487 L492 R493	R486-E489 IonicContact CZ-OE2 3.8Å; R486-E489 IonicContact NH1-OE1 2.76Å; R486-E489 PolarHBondContact NH1-OE1 3.44Å; R486-E489 IonicContact NH1-OE2 2.64Å; R486-E489 PolarHBondContact NH1-OE2 2.87Å; R486-E489 WeakPolarHBondContact O-CB 3.38Å; R486-E489 PolarHBondContact O-N 3.47Å; R486-E489 VanDerWaalsContact O-N 3.15Å; G487-E489 VanDerWaalsContact C-N 3.28Å; G487-E489 PolarHBondContact O-N 3.06Å; E489-L492 PolarHBondContact O-N 3.35Å; E489-R493 WeakPolarHBondContact O-CG 3.19Å; E489-R493 PolarHBondContact O-N 3.23Å; E489-R493 IonicContact OE1-CZ 3.68Å; E489-R493 IonicContact OE1-NE 2.85Å; E489-R493 IonicContact OE1-NH1 2.86Å; E489-R493 IonicContact OE1-NH2 3.86Å; E489-R493 PolarHBondContact OE1-NH2 3.07Å
490	L	91.6	Very high	82.2	Confident	2 Å²	2	76 Å²	76	1%	0.01	40%	0.395	C	S	.	.	H	α-helix	trans	-63	-45.4	179.4	-63.5	177.9	0	0	0	111.8	R486 G487 L492 R493 E494 I503 F505 E508 F599	R486-L490 HydrophobicContact CG-CD1 4.12Å; R486-L490 HydrophobicContact CG-CG 4.34Å; R486-L490 WeakPolarHBondContact O-CG 2.84Å; R486-L490 PolarHBondContact O-N 3.4Å; G487-L490 PolarHBondContact O-N 3.29Å; L490-L492 VanDerWaalsContact C-N 3.31Å; L490-L492 PolarHBondContact O-N 2.61Å; L490-R493 PolarHBondContact O-N 3.1Å; L490-E494 WeakPolarHBondContact O-CB 3.35Å; L490-E494 PolarHBondContact O-N 3.4Å; L490-I503 HydrophobicContact CD2-CG2 3.94Å; L490-F505 HydrophobicContact CB-CE1 3.81Å; L490-F505 HydrophobicContact CB-CZ 4.44Å; L490-F505 HydrophobicContact CD1-CD1 4.01Å; L490-F505 HydrophobicContact CD1-CE1 4.07Å; L490-E508 HydrophobicContact CD1-CB 3.88Å; L490-E508 HydrophobicContact CD1-CG 4.11Å; L490-E508 HydrophobicContact CD2-CG 4.02Å; L490-F599 HydrophobicContact CD1-CD1 4.46Å; L490-F599 HydrophobicContact CD1-CD2 4.2Å; L490-F599 HydrophobicContact CD1-CE1 4.11Å; L490-F599 HydrophobicContact CD1-CE2 3.8Å; L490-F599 HydrophobicContact CD1-CZ 3.76Å
491	F	91.4	Very high	80.8	Confident	49 Å²	49	81.2 Å²	81.2	22%	0.215	42%	0.423	C	S	.	.	H	α-helix	trans	-68.8	-28.6	178.4	-66.6	-55	0	0	0	113	G487 E494 K495 F505 R596 F599 Q600	G487-F491 WeakPolarHBondContact O-CD2 3.21Å; G487-F491 WeakPolarHBondContact O-CG 3.26Å; G487-F491 PolarHBondContact O-N 3.24Å; F491-E494 WeakPolarHBondContact CD1-OE2 3.49Å; F491-K495 WeakPolarHBondContact O-CB 3.43Å; F491-K495 PolarHBondContact O-N 2.8Å; F491-K495 VanDerWaalsContact O-N 3.1Å; F491-F505 HydrophobicContact CE1-CE1 4.16Å; F491-F505 HydrophobicContact CE1-CZ 4.39Å; F491-R596 HydrophobicContact CE1-CG 3.85Å; F491-R596 HydrophobicContact CZ-CG 4.41Å; F491-F599 HydrophobicContact CE2-CB 3.99Å; F491-F599 HydrophobicContact CZ-CB 3.79Å; F491-Q600 HydrophobicContact CE1-CG 3.76Å; F491-Q600 HydrophobicContact CE2-CG 3.95Å; F491-Q600 HydrophobicContact CZ-CB 4.29Å; F491-Q600 HydrophobicContact CZ-CG 3.26Å
492	L	87.8	Confident	80.2	Confident	91 Å²	91	82.7 Å²	82.7	48%	0.476	43%	0.425	S	S	.	.	H	α-helix	trans	-67.2	-45.7	171.3	-76.5	168.7	0	0	0	111	S488 E489 L490 E494 K495 E496	S488-L492 WeakPolarHBondContact O-CB 3.28Å; S488-L492 WeakPolarHBondContact O-CD1 3.31Å; S488-L492 WeakPolarHBondContact O-CG 3.38Å; S488-L492 PolarHBondContact O-N 3.12Å; E489-L492 PolarHBondContact O-N 3.35Å; L490-L492 VanDerWaalsContact C-N 3.31Å; L490-L492 PolarHBondContact O-N 2.61Å; L492-E494 PolarHBondContact O-N 3.2Å; L492-K495 PolarHBondContact O-N 3.03Å; L492-E496 WeakPolarHBondContact O-CB 3.25Å; L492-E496 WeakPolarHBondContact O-CG 3.47Å; L492-E496 PolarHBondContact O-N 2.62Å
493	R	85.7	Confident	79.9	Confident	109 Å²	109	81.8 Å²	81.8	41%	0.411	42%	0.417	S	S	.	.	H	α-helix	trans	-62.1	-42.9	176	-70	174.3	-179.4	-176.3	-3.4	112.6	E489 L490 K495 E496 S497 I503	E489-R493 WeakPolarHBondContact O-CG 3.19Å; E489-R493 PolarHBondContact O-N 3.23Å; E489-R493 IonicContact OE1-CZ 3.68Å; E489-R493 IonicContact OE1-NE 2.85Å; E489-R493 IonicContact OE1-NH1 2.86Å; E489-R493 IonicContact OE1-NH2 3.86Å; E489-R493 PolarHBondContact OE1-NH2 3.07Å; L490-R493 PolarHBondContact O-N 3.1Å; R493-K495 VanDerWaalsContact C-N 3.29Å; R493-K495 PolarHBondContact O-N 3.36Å; R493-E496 PolarHBondContact O-N 3.28Å; R493-S497 PolarHBondContact O-N 3.45Å; R493-I503 HydrophobicContact CB-CD1 3.67Å; R493-I503 HydrophobicContact CB-CG1 4.49Å
494	E	85.1	Confident	79.7	Confident	51 Å²	51	84.7 Å²	84.7	24%	0.238	43%	0.432	C	S	.	.	H	α-helix	trans	-59.1	-43.8	176.6	-173.7	-178.1	-158.3	0	0	110.3	L490 F491 L492 S497 I503	L490-E494 WeakPolarHBondContact O-CB 3.35Å; L490-E494 PolarHBondContact O-N 3.4Å; F491-E494 WeakPolarHBondContact CD1-OE2 3.49Å; L492-E494 PolarHBondContact O-N 3.2Å; E494-S497 PolarHBondContact O-OG 3.24Å; E494-I503 HydrophobicContact CB-CD1 3.8Å; E494-I503 VanDerWaalsContact N-CD1 3.29Å
495	K	81.3	Confident	79.8	Confident	179 Å²	179	77.9 Å²	77.9	78%	0.778	41%	0.407	S	S	*	.	H	α-helix	trans	-69.2	-37.2	178	-174.4	-179.7	177.5	-174.2	0	113	F491 L492 R493	F491-K495 WeakPolarHBondContact O-CB 3.43Å; F491-K495 PolarHBondContact O-N 2.8Å; F491-K495 VanDerWaalsContact O-N 3.1Å; L492-K495 PolarHBondContact O-N 3.03Å; R493-K495 VanDerWaalsContact C-N 3.29Å; R493-K495 PolarHBondContact O-N 3.36Å
496	E	75	Confident	80.1	Confident	134 Å²	134	71.5 Å²	71.5	63%	0.626	38%	0.379	S	S	*	.	H	α-helix	trans	-72.6	-35.2	-177.5	-76.5	176.5	-178.7	0	0	111.6	L492 R493 C498	L492-E496 WeakPolarHBondContact O-CB 3.25Å; L492-E496 WeakPolarHBondContact O-CG 3.47Å; L492-E496 PolarHBondContact O-N 2.62Å; R493-E496 PolarHBondContact O-N 3.28Å; E496-C498 PolarHBondContact O-N 3.32Å; E496-C498 PolarHBondContact O-SG 3.39Å
497	S	60.6	Low	80.2	Confident	49 Å²	49	75.7 Å²	75.7	34%	0.343	40%	0.398	S	S	.	.			trans	43.4	-0.2	172.6	-79.1	0	0	0	0	118.4	R493 E494 S499	R493-S497 PolarHBondContact O-N 3.45Å; E494-S497 PolarHBondContact O-OG 3.24Å; S497-S499 VanDerWaalsContact C-N 3.27Å; S497-S499 PolarHBondContact O-N 2.92Å
498	C	50.2	Low	80.4	Confident	128 Å²	128	77.3 Å²	77.3	87%	0.865	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.9	-20.4	178.5	-66.8	0	0	0	0	111.9	E496 G500	E496-C498 PolarHBondContact O-N 3.32Å; E496-C498 PolarHBondContact O-SG 3.39Å; C498-G500 VanDerWaalsContact C-N 3.32Å; C498-G500 PolarHBondContact O-N 2.73Å
499	S	49.3	Very low	80.7	Confident	71 Å²	71	74 Å²	74	50%	0.497	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-14.5	-172.4	51	0	0	0	0	114.1	S497 L501	S497-S499 VanDerWaalsContact C-N 3.27Å; S497-S499 PolarHBondContact O-N 2.92Å; S499-L501 PolarHBondContact O-N 3.11Å
500	G	56.6	Low	81	Confident	47 Å²	47	71.7 Å²	71.7	49%	0.485	38%	0.376	S	S	.	.			trans	63	-10.7	-174.3	0	0	0	0	0	115.3	C498 F502	C498-G500 VanDerWaalsContact C-N 3.32Å; C498-G500 PolarHBondContact O-N 2.73Å; G500-F502 PolarHBondContact O-N 3.44Å
501	L	64.5	Low	81.2	Confident	140 Å²	140	77.1 Å²	77.1	73%	0.733	40%	0.401	S	S	*	.			trans	-71.6	116.1	178.1	-65.5	173.4	0	0	0	110.6	S499	S499-L501 PolarHBondContact O-N 3.11Å
502	F	73.8	Confident	81.4	Confident	139 Å²	139	75.4 Å²	75.4	61%	0.61	39%	0.394	S	S	*	.			trans	-60.7	132.4	173.6	178.7	-99.3	0	0	0	111.2	G500 D504 I592	G500-F502 PolarHBondContact O-N 3.44Å; F502-D504 HydrophobicContact CD1-CB 4.37Å; F502-D504 HydrophobicContact CE1-CB 4.08Å; F502-I592 HydrophobicContact CZ-CD1 3.89Å
503	I	84	Confident	81.8	Confident	32 Å²	32	71 Å²	71	16%	0.164	37%	0.372	C	S	.	.			trans	-95.1	109.4	177.9	-58.1	171.2	0	0	0	109	L490 R493 E494 F505	L490-I503 HydrophobicContact CD2-CG2 3.94Å; R493-I503 HydrophobicContact CB-CD1 3.67Å; R493-I503 HydrophobicContact CB-CG1 4.49Å; E494-I503 HydrophobicContact CB-CD1 3.8Å; E494-I503 VanDerWaalsContact N-CD1 3.29Å; I503-F505 HydrophobicContact CB-CD2 4.47Å; I503-F505 HydrophobicContact CB-CE2 4.08Å; I503-F505 HydrophobicContact CG2-CD1 4.35Å; I503-F505 HydrophobicContact CG2-CD2 3.91Å; I503-F505 HydrophobicContact CG2-CE1 4.12Å; I503-F505 HydrophobicContact CG2-CE2 3.66Å; I503-F505 HydrophobicContact CG2-CG 4.25Å; I503-F505 HydrophobicContact CG2-CZ 3.78Å; I503-F505 PolarHBondContact O-N 3.4Å
504	D	89.7	Confident	82.2	Confident	61 Å²	61	71 Å²	71	33%	0.326	38%	0.376	S	S	.	.			trans	-87.4	87.2	174.5	-174.7	-10.4	0	0	0	110.9	F502 V506 K507 E508	F502-D504 HydrophobicContact CD1-CB 4.37Å; F502-D504 HydrophobicContact CE1-CB 4.08Å; D504-V506 PolarHBondContact O-N 2.98Å; D504-V506 WeakPolarHBondContact OD1-CB 3.44Å; D504-V506 PolarHBondContact OD1-N 3.04Å; D504-K507 HydrophobicContact CB-CB 4.19Å; D504-K507 PolarHBondContact O-N 3.42Å; D504-K507 PolarHBondContact OD1-N 3.22Å; D504-K507 WeakPolarHBondContact OD2-CB 3.41Å; D504-E508 WeakPolarHBondContact O-CB 3.31Å; D504-E508 WeakPolarHBondContact O-CG 3.43Å; D504-E508 PolarHBondContact O-N 2.92Å; D504-E508 VanDerWaalsContact O-N 3.11Å
505	F	94.3	Very high	82.6	Confident	7 Å²	7	73.1 Å²	73.1	3%	0.031	40%	0.397	C	S	.	.	H	α-helix	trans	-59.8	-25.7	177.1	-72.2	-81.8	0	0	0	113.5	L490 F491 I503 L509 I592 A595 R596 F599	L490-F505 HydrophobicContact CB-CE1 3.81Å; L490-F505 HydrophobicContact CB-CZ 4.44Å; L490-F505 HydrophobicContact CD1-CD1 4.01Å; L490-F505 HydrophobicContact CD1-CE1 4.07Å; F491-F505 HydrophobicContact CE1-CE1 4.16Å; F491-F505 HydrophobicContact CE1-CZ 4.39Å; I503-F505 HydrophobicContact CB-CD2 4.47Å; I503-F505 HydrophobicContact CB-CE2 4.08Å; I503-F505 HydrophobicContact CG2-CD1 4.35Å; I503-F505 HydrophobicContact CG2-CD2 3.91Å; I503-F505 HydrophobicContact CG2-CE1 4.12Å; I503-F505 HydrophobicContact CG2-CE2 3.66Å; I503-F505 HydrophobicContact CG2-CG 4.25Å; I503-F505 HydrophobicContact CG2-CZ 3.78Å; I503-F505 PolarHBondContact O-N 3.4Å; F505-L509 VanDerWaalsContact O-CB 3.24Å; F505-L509 WeakPolarHBondContact O-CB 3.34Å; F505-L509 PolarHBondContact O-N 3.42Å; F505-I592 HydrophobicContact CD2-CG2 4.23Å; F505-A595 HydrophobicContact CB-CB 4.03Å; F505-R596 HydrophobicContact CB-CB 4.17Å; F505-R596 HydrophobicContact CD1-CB 3.93Å; F505-R596 HydrophobicContact CD1-CG 3.89Å; F505-R596 HydrophobicContact CD2-CB 3.9Å; F505-R596 HydrophobicContact CD2-CG 3.96Å; F505-R596 HydrophobicContact CE1-CB 4.27Å; F505-R596 HydrophobicContact CE1-CG 3.7Å; F505-R596 HydrophobicContact CE2-CB 4.24Å; F505-R596 HydrophobicContact CE2-CG 3.77Å; F505-R596 HydrophobicContact CG-CB 3.73Å; F505-R596 HydrophobicContact CG-CG 4.02Å; F505-R596 HydrophobicContact CZ-CB 4.42Å; F505-R596 HydrophobicContact CZ-CG 3.63Å; F505-F599 AromaticContact CD1-CD2 3.82Å; F505-F599 HydrophobicContact CD1-CD2 3.82Å; F505-F599 HydrophobicContact CD1-CE2 4.24Å
506	V	95.5	Very high	83.1	Confident	23 Å²	23	66.1 Å²	66.1	14%	0.139	37%	0.37	C	S	.	.	H	α-helix	trans	-70.7	-51.5	-178.7	-179.1	0	0	0	0	109.8	D504 E508 L509 A510 Y523 Q591 I592 A595	D504-V506 PolarHBondContact O-N 2.98Å; D504-V506 WeakPolarHBondContact OD1-CB 3.44Å; D504-V506 PolarHBondContact OD1-N 3.04Å; V506-E508 VanDerWaalsContact C-N 3.34Å; V506-E508 PolarHBondContact O-N 2.81Å; V506-L509 PolarHBondContact O-N 3.33Å; V506-A510 WeakPolarHBondContact O-CB 3.41Å; V506-A510 PolarHBondContact O-N 3.04Å; V506-Y523 HydrophobicContact CG1-CE2 4.15Å; V506-Q591 HydrophobicContact CG1-CG 4.16Å; V506-Q591 HydrophobicContact CG2-CB 4.21Å; V506-Q591 HydrophobicContact CG2-CG 3.74Å; V506-I592 HydrophobicContact CG2-CB 4.47Å; V506-I592 HydrophobicContact CG2-CG1 3.88Å; V506-A595 HydrophobicContact CG2-CB 4.11Å
507	K	95	Very high	83.7	Confident	137 Å²	137	60.3 Å²	60.3	60%	0.596	34%	0.343	S	S	*	.	H	α-helix	trans	-62.4	-42.5	177.6	-177.1	-179.7	179.8	-178.3	0	111.9	D504 A510 Q511	D504-K507 HydrophobicContact CB-CB 4.19Å; D504-K507 PolarHBondContact O-N 3.42Å; D504-K507 PolarHBondContact OD1-N 3.22Å; D504-K507 WeakPolarHBondContact OD2-CB 3.41Å; K507-A510 PolarHBondContact O-N 3.31Å; K507-Q511 PolarHBondContact O-N 2.77Å
508	E	95.8	Very high	85	Confident	34 Å²	34	60.8 Å²	60.8	16%	0.159	36%	0.356	C	S	.	.	H	α-helix	trans	-62.9	-43.3	178.2	-69.7	-64.7	166.3	0	0	112.1	R486 L490 D504 V506 V512 F599	R486-E508 IonicContact CZ-OE1 2.71Å; R486-E508 IonicContact CZ-OE2 3.56Å; R486-E508 IonicContact NE-OE2 2.67Å; R486-E508 PolarHBondContact NE-OE2 3.22Å; R486-E508 IonicContact NH2-OE1 3.62Å; R486-E508 PolarHBondContact NH2-OE1 3.17Å; R486-E508 IonicContact NH2-OE2 3.42Å; R486-E508 PolarHBondContact NH2-OE2 3.46Å; L490-E508 HydrophobicContact CD1-CB 3.88Å; L490-E508 HydrophobicContact CD1-CG 4.11Å; L490-E508 HydrophobicContact CD2-CG 4.02Å; D504-E508 WeakPolarHBondContact O-CB 3.31Å; D504-E508 WeakPolarHBondContact O-CG 3.43Å; D504-E508 PolarHBondContact O-N 2.92Å; D504-E508 VanDerWaalsContact O-N 3.11Å; V506-E508 VanDerWaalsContact C-N 3.34Å; V506-E508 PolarHBondContact O-N 2.81Å; E508-V512 VanDerWaalsContact O-CG2 3.29Å; E508-V512 WeakPolarHBondContact O-CG2 3.42Å; E508-V512 PolarHBondContact O-N 3.19Å; E508-F599 HydrophobicContact CB-CE2 4.08Å; E508-F599 HydrophobicContact CB-CZ 4Å
509	L	97.3	Very high	87	Confident	0 Å²	0	55.9 Å²	55.9	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-64.9	-45.5	176.8	-175.5	63.6	0	0	0	111	F505 V506 Q511 V512 V513 P521 L572 A595 A598 F599	F505-L509 VanDerWaalsContact O-CB 3.24Å; F505-L509 WeakPolarHBondContact O-CB 3.34Å; F505-L509 PolarHBondContact O-N 3.42Å; V506-L509 PolarHBondContact O-N 3.33Å; L509-Q511 VanDerWaalsContact C-N 3.34Å; L509-Q511 PolarHBondContact O-N 2.59Å; L509-V512 PolarHBondContact O-N 3.32Å; L509-V513 HydrophobicContact CD1-CG2 3.95Å; L509-V513 HydrophobicContact CG-CG2 4.12Å; L509-V513 WeakPolarHBondContact O-CB 3.29Å; L509-V513 WeakPolarHBondContact O-CG2 3.45Å; L509-V513 PolarHBondContact O-N 3.1Å; L509-P521 HydrophobicContact CG-CG 4.35Å; L509-L572 HydrophobicContact CD2-CD1 4.37Å; L509-L572 HydrophobicContact CD2-CD2 3.67Å; L509-A595 HydrophobicContact CB-CB 4.43Å; L509-A595 HydrophobicContact CD2-CB 4.02Å; L509-A598 HydrophobicContact CD1-CB 4.5Å; L509-A598 HydrophobicContact CD2-CB 3.9Å; L509-F599 HydrophobicContact CB-CD2 4.48Å; L509-F599 HydrophobicContact CB-CE2 3.69Å; L509-F599 HydrophobicContact CB-CZ 4.09Å; L509-F599 HydrophobicContact CD1-CE2 4.17Å; L509-F599 HydrophobicContact CD1-CZ 4.19Å
510	A	96.8	Very high	89	Confident	23 Å²	23	57.2 Å²	57.2	19%	0.19	32%	0.319	C	S	.	.	H	α-helix	trans	-56.9	-47.8	178.4	0	0	0	0	0	111.7	V506 K507 V512 V513 E514 P521	V506-A510 WeakPolarHBondContact O-CB 3.41Å; V506-A510 PolarHBondContact O-N 3.04Å; K507-A510 PolarHBondContact O-N 3.31Å; A510-V512 PolarHBondContact O-N 3.04Å; A510-V513 PolarHBondContact O-N 3.28Å; A510-E514 VanDerWaalsContact O-CB 3.31Å; A510-E514 WeakPolarHBondContact O-CB 3.16Å; A510-E514 PolarHBondContact O-N 2.9Å; A510-P521 HydrophobicContact CB-CG 4.32Å
511	Q	96.3	Very high	90.8	Very high	115 Å²	115	55.8 Å²	55.8	54%	0.537	30%	0.301	S	S	.	.	H	α-helix	trans	-61	-43.1	177.5	-175.8	177.9	-2.8	0	0	112.4	K507 L509 S515	K507-Q511 PolarHBondContact O-N 2.77Å; L509-Q511 VanDerWaalsContact C-N 3.34Å; L509-Q511 PolarHBondContact O-N 2.59Å; Q511-S515 VanDerWaalsContact O-CB 3.25Å; Q511-S515 WeakPolarHBondContact O-CB 2.94Å; Q511-S515 PolarHBondContact O-N 3.15Å; Q511-S515 PolarHBondContact O-OG 3.25Å
512	V	96	Very high	92.1	Very high	13 Å²	13	51.8 Å²	51.8	8%	0.079	28%	0.283	C	S	.	.	H	α-helix	trans	-65.3	-44.5	178.3	170.2	0	0	0	0	111.1	C482 R486 E508 L509 A510 S515 S516 F599	C482-V512 HydrophobicContact CB-CG1 3.73Å; R486-V512 HydrophobicContact CB-CG2 4.02Å; R486-V512 HydrophobicContact CG-CG2 3.87Å; E508-V512 VanDerWaalsContact O-CG2 3.29Å; E508-V512 WeakPolarHBondContact O-CG2 3.42Å; E508-V512 PolarHBondContact O-N 3.19Å; L509-V512 PolarHBondContact O-N 3.32Å; A510-V512 PolarHBondContact O-N 3.04Å; V512-S515 PolarHBondContact O-OG 2.92Å; V512-S516 WeakPolarHBondContact O-CB 3.45Å; V512-S516 PolarHBondContact O-N 3.11Å; V512-S516 PolarHBondContact O-OG 3.5Å; V512-F599 HydrophobicContact CG2-CE1 4.4Å; V512-F599 HydrophobicContact CG2-CZ 4.4Å
513	V	95.3	Very high	93.1	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-66.9	-44.5	-178.9	177	0	0	0	0	110.9	L479 L509 A510 S516 I517 G518 L519 P521 I574	L479-V513 HydrophobicContact CD2-CB 4.25Å; L479-V513 HydrophobicContact CD2-CG1 4.3Å; L479-V513 HydrophobicContact CD2-CG2 3.78Å; L509-V513 HydrophobicContact CD1-CG2 3.95Å; L509-V513 HydrophobicContact CG-CG2 4.12Å; L509-V513 WeakPolarHBondContact O-CB 3.29Å; L509-V513 WeakPolarHBondContact O-CG2 3.45Å; L509-V513 PolarHBondContact O-N 3.1Å; A510-V513 PolarHBondContact O-N 3.28Å; V513-S516 PolarHBondContact O-OG 3.01Å; V513-I517 HydrophobicContact CG1-CD1 4.06Å; V513-I517 HydrophobicContact CG1-CG1 4.02Å; V513-I517 WeakPolarHBondContact O-CG1 3.45Å; V513-I517 PolarHBondContact O-N 2.76Å; V513-G518 PolarHBondContact O-N 2.98Å; V513-L519 CarbonylContact C-O 3.6Å; V513-L519 HydrophobicContact CG1-CB 4.23Å; V513-L519 WeakPolarHBondContact CG1-O 3.27Å; V513-P521 HydrophobicContact CB-CG 4.15Å; V513-P521 HydrophobicContact CG1-CG 4.39Å; V513-P521 HydrophobicContact CG2-CG 4.1Å; V513-I574 HydrophobicContact CG1-CG2 3.71Å; V513-I574 HydrophobicContact CG2-CD1 3.69Å; V513-I574 HydrophobicContact CG2-CG1 4.36Å
514	E	94.4	Very high	93.5	Very high	109 Å²	109	44.9 Å²	44.9	51%	0.509	25%	0.251	S	S	.	.	H	α-helix	trans	-64.8	-46.5	178.9	-175.5	172.3	-167.2	0	0	111.6	A510 S516 G518 L519 Q520	A510-E514 VanDerWaalsContact O-CB 3.31Å; A510-E514 WeakPolarHBondContact O-CB 3.16Å; A510-E514 PolarHBondContact O-N 2.9Å; E514-S516 PolarHBondContact O-N 2.8Å; E514-G518 VanDerWaalsContact O-CA 3.25Å; E514-G518 WeakPolarHBondContact O-CA 3.18Å; E514-G518 PolarHBondContact O-N 3.16Å; E514-L519 WeakPolarHBondContact CA-O 3.41Å; E514-L519 PolarHBondContact N-O 2.47Å; E514-Q520 PolarHBondContact OE2-NE2 3.02Å
515	S	92.8	Very high	93.7	Very high	95 Å²	95	42.3 Å²	42.3	66%	0.664	24%	0.237	S	C	*	.	H	α-helix	trans	-70.5	-28.8	-179.2	60.1	0	0	0	0	114.2	Q511 V512	Q511-S515 VanDerWaalsContact O-CB 3.25Å; Q511-S515 WeakPolarHBondContact O-CB 2.94Å; Q511-S515 PolarHBondContact O-N 3.15Å; Q511-S515 PolarHBondContact O-OG 3.25Å; V512-S515 PolarHBondContact O-OG 2.92Å
516	S	91.2	Very high	93.6	Very high	32 Å²	32	42.6 Å²	42.6	22%	0.224	24%	0.239	C	C	.	.	H	α-helix	trans	-90	-39.5	-176.1	60.6	0	0	0	0	113.7	L479 C482 V512 V513 E514	L479-S516 WeakPolarHBondContact CD2-OG 3.47Å; C482-S516 VanDerWaalsContact SG-CB 3.56Å; V512-S516 WeakPolarHBondContact O-CB 3.45Å; V512-S516 PolarHBondContact O-N 3.11Å; V512-S516 PolarHBondContact O-OG 3.5Å; V513-S516 PolarHBondContact O-OG 3.01Å; E514-S516 PolarHBondContact O-N 2.8Å
517	I	89.1	Confident	93.5	Very high	12 Å²	12	43.8 Å²	43.8	6%	0.062	24%	0.242	C	C	.	.	H	α-helix	trans	-133.3	-0.6	-172.5	63.7	164.1	0	0	0	114.6	W402 M475 A478 L479 V513 L519 I574	W402-I517 HydrophobicContact CH2-CG2 4.4Å; W402-I517 HydrophobicContact CZ2-CB 3.84Å; W402-I517 HydrophobicContact CZ2-CG2 3.76Å; W402-I517 PolarHBondContact NE1-O 2.77Å; W402-I517 VanDerWaalsContact NE1-O 3.1Å; M475-I517 HydrophobicContact CG-CB 4.48Å; M475-I517 HydrophobicContact CG-CD1 3.48Å; M475-I517 VanDerWaalsContact CG-CD1 3.48Å; M475-I517 HydrophobicContact CG-CG2 4.29Å; M475-I517 HydrophobicContact SD-CD1 3.93Å; A478-I517 HydrophobicContact CB-CG2 3.75Å; L479-I517 HydrophobicContact CD1-CD1 3.78Å; L479-I517 HydrophobicContact CD2-CD1 3.85Å; L479-I517 HydrophobicContact CD2-CG1 3.99Å; L479-I517 HydrophobicContact CD2-CG2 4.4Å; L479-I517 HydrophobicContact CG-CD1 3.84Å; L479-I517 HydrophobicContact CG-CG1 4.34Å; L479-I517 HydrophobicContact CG-CG2 4.17Å; V513-I517 HydrophobicContact CG1-CD1 4.06Å; V513-I517 HydrophobicContact CG1-CG1 4.02Å; V513-I517 WeakPolarHBondContact O-CG1 3.45Å; V513-I517 PolarHBondContact O-N 2.76Å; I517-L519 VanDerWaalsContact C-N 3.33Å; I517-L519 HydrophobicContact CD1-CB 4.13Å; I517-L519 HydrophobicContact CD1-CD1 3.84Å; I517-L519 HydrophobicContact CD1-CG 4.1Å; I517-L519 HydrophobicContact CG1-CB 4.22Å; I517-L519 HydrophobicContact CG1-CG 4.3Å; I517-L519 PolarHBondContact O-N 3.08Å; I517-I574 HydrophobicContact CD1-CG2 3.79Å
518	G	88.3	Confident	93.3	Very high	58 Å²	58	37.2 Å²	37.2	60%	0.598	21%	0.214	S	C	*	.	S	Bend	trans	71	23.3	175.7	0	0	0	0	0	114.8	V513 E514	V513-G518 PolarHBondContact O-N 2.98Å; E514-G518 VanDerWaalsContact O-CA 3.25Å; E514-G518 WeakPolarHBondContact O-CA 3.18Å; E514-G518 PolarHBondContact O-N 3.16Å
519	L	90.9	Very high	93	Very high	26 Å²	26	38.1 Å²	38.1	14%	0.136	22%	0.222	C	C	.	.			trans	-115.1	168.8	177.9	-61.5	-175.5	0	0	0	110.9	L399 M475 V513 E514 I517	L399-L519 HydrophobicContact CD2-CD1 3.82Å; L399-L519 HydrophobicContact CD2-CD2 3.76Å; L399-L519 HydrophobicContact CD2-CG 4.47Å; M475-L519 HydrophobicContact SD-CD1 3.81Å; V513-L519 CarbonylContact C-O 3.6Å; V513-L519 HydrophobicContact CG1-CB 4.23Å; V513-L519 WeakPolarHBondContact CG1-O 3.27Å; E514-L519 WeakPolarHBondContact CA-O 3.41Å; E514-L519 PolarHBondContact N-O 2.47Å; I517-L519 VanDerWaalsContact C-N 3.33Å; I517-L519 HydrophobicContact CD1-CB 4.13Å; I517-L519 HydrophobicContact CD1-CD1 3.84Å; I517-L519 HydrophobicContact CD1-CG 4.1Å; I517-L519 HydrophobicContact CG1-CB 4.22Å; I517-L519 HydrophobicContact CG1-CG 4.3Å; I517-L519 PolarHBondContact O-N 3.08Å
520	Q	91.2	Very high	92.6	Very high	98 Å²	98	42.9 Å²	42.9	46%	0.458	25%	0.247	S	C	.	.			trans	-111.5	142	170.2	-71	-65.9	-11.7	0	0	110.7	E514	E514-Q520 PolarHBondContact OE2-NE2 3.02Å
521	P	94.3	Very high	92.4	Very high	17 Å²	17	41.8 Å²	41.8	11%	0.11	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.2	140.4	170.2	-15.8	28.7	0	0	0	111.5	L509 A510 V513 Y523 L572	L509-P521 HydrophobicContact CG-CG 4.35Å; A510-P521 HydrophobicContact CB-CG 4.32Å; V513-P521 HydrophobicContact CB-CG 4.15Å; V513-P521 HydrophobicContact CG1-CG 4.39Å; V513-P521 HydrophobicContact CG2-CG 4.1Å; P521-Y523 HydrophobicContact CB-CE2 3.91Å; P521-L572 HydrophobicContact CB-CD1 3.77Å
522	T	92.9	Very high	92.1	Very high	56 Å²	56	38 Å²	38	34%	0.344	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	125.9	175.2	-53.4	0	0	0	0	109.7	L573	T522-L573 PolarHBondContact N-O 2.63Å; T522-L573 PolarHBondContact O-N 3.2Å
523	Y	94.2	Very high	91.6	Very high	27 Å²	27	42.7 Å²	42.7	11%	0.106	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	130.5	177.6	-60.6	-91.3	0	0	0	109.5	V506 P521 F525 D571 L572 Q591 A595	V506-Y523 HydrophobicContact CG1-CE2 4.15Å; P521-Y523 HydrophobicContact CB-CE2 3.91Å; Y523-F525 VanDerWaalsContact CB-CE2 3.43Å; Y523-F525 HydrophobicContact CG-CZ 4.35Å; Y523-D571 CarbonylContact C-O 3.53Å; Y523-D571 WeakPolarHBondContact CA-O 3.35Å; Y523-L572 HydrophobicContact CD1-CB 4.39Å; Y523-L572 HydrophobicContact CD1-CD1 4.01Å; Y523-L572 HydrophobicContact CE1-CB 4.44Å; Y523-L572 HydrophobicContact CE1-CD1 3.69Å; Y523-L572 HydrophobicContact CE1-CG 4.46Å; Y523-L572 HydrophobicContact CE2-CD1 4.37Å; Y523-Q591 HydrophobicContact CD1-CG 3.51Å; Y523-Q591 HydrophobicContact CD2-CG 4.18Å; Y523-Q591 HydrophobicContact CE1-CG 3.53Å; Y523-Q591 HydrophobicContact CE2-CG 4.22Å; Y523-Q591 HydrophobicContact CG-CG 3.83Å; Y523-A595 HydrophobicContact CE1-CB 4.4Å
524	V	92.9	Very high	91	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	123.8	178.5	-178	0	0	0	0	108.7	Y408 C570 D571 L573 K640 F647	Y408-V524 HydrophobicContact CE1-CG1 4.18Å; V524-C570 CarbonylContact O-C 3.55Å; V524-C570 VanDerWaalsContact O-CA 3.31Å; V524-C570 WeakPolarHBondContact O-CA 3.34Å; V524-D571 HydrophobicContact CB-CB 4.22Å; V524-D571 PolarHBondContact N-O 2.98Å; V524-D571 PolarHBondContact O-N 3.4Å; V524-L573 HydrophobicContact CG2-CD1 3.85Å; V524-K640 HydrophobicContact CG1-CB 4.33Å; V524-K640 HydrophobicContact CG1-CD 3.75Å; V524-K640 HydrophobicContact CG1-CG 3.86Å; V524-F647 HydrophobicContact CG1-CD1 4.16Å; V524-F647 HydrophobicContact CG2-CB 4.38Å; V524-F647 HydrophobicContact CG2-CD1 4.09Å; V524-F647 HydrophobicContact CG2-CG 4.19Å
525	F	93.2	Very high	90.8	Very high	6 Å²	6	43.2 Å²	43.2	3%	0.026	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	146.4	-173.9	-57.7	-93.5	0	0	0	112.5	Y523 I568 A569 C570 K587 Q591 K640 D650 F653	Y523-F525 VanDerWaalsContact CB-CE2 3.43Å; Y523-F525 HydrophobicContact CG-CZ 4.35Å; F525-I568 HydrophobicContact CB-CG2 4.26Å; F525-I568 HydrophobicContact CD1-CG2 4.09Å; F525-A569 VanDerWaalsContact CA-O 3.32Å; F525-A569 WeakPolarHBondContact CA-O 3.3Å; F525-C570 HydrophobicContact CD1-CB 3.85Å; F525-C570 HydrophobicContact CE1-CB 3.87Å; F525-C570 WeakPolarHBondContact CE1-SG 3.25Å; F525-K587 HydrophobicContact CD1-CD 4.41Å; F525-K587 HydrophobicContact CD1-CG 3.49Å; F525-K587 VanDerWaalsContact CD1-CG 3.49Å; F525-K587 HydrophobicContact CD2-CD 4.4Å; F525-K587 HydrophobicContact CD2-CG 4.31Å; F525-K587 HydrophobicContact CE1-CD 4.42Å; F525-K587 HydrophobicContact CE1-CG 3.46Å; F525-K587 VanDerWaalsContact CE1-CG 3.46Å; F525-K587 WeakPolarHBondContact CE1-O 3.08Å; F525-K587 HydrophobicContact CE2-CD 4.4Å; F525-K587 HydrophobicContact CE2-CG 4.28Å; F525-K587 HydrophobicContact CG-CD 4.37Å; F525-K587 HydrophobicContact CG-CG 3.91Å; F525-K587 HydrophobicContact CZ-CD 4.39Å; F525-K587 HydrophobicContact CZ-CG 3.86Å; F525-Q591 HydrophobicContact CE1-CB 3.98Å; F525-Q591 HydrophobicContact CE1-CG 4.44Å; F525-Q591 HydrophobicContact CZ-CB 3.93Å; F525-Q591 HydrophobicContact CZ-CG 3.92Å; F525-K640 WeakPolarHBondContact O-CE 3.47Å; F525-D650 WeakPolarHBondContact CD2-OD2 3.2Å; F525-F653 HydrophobicContact CB-CE2 3.79Å; F525-F653 HydrophobicContact CB-CZ 4.14Å
526	T	92.7	Very high	90.6	Very high	14 Å²	14	41.7 Å²	41.7	9%	0.086	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.2	145.9	169	-161.1	0	0	0	0	110.2	L531 I568 A569 L639	T526-L531 HydrophobicContact CG2-CD1 4.39Å; T526-L531 HydrophobicContact CG2-CD2 3.72Å; T526-L531 HydrophobicContact CG2-CG 3.92Å; T526-I568 CarbonylContact O-C 3.48Å; T526-I568 WeakPolarHBondContact O-CA 3.47Å; T526-A569 HydrophobicContact CG2-CB 4.19Å; T526-A569 PolarHBondContact N-O 3.01Å; T526-A569 PolarHBondContact O-N 3.34Å; T526-L639 WeakPolarHBondContact CB-O 3.44Å; T526-L639 HydrophobicContact CG2-CB 3.68Å; T526-L639 HydrophobicContact CG2-CD1 4.38Å; T526-L639 HydrophobicContact CG2-CD2 3.86Å; T526-L639 HydrophobicContact CG2-CG 4.16Å; T526-L639 PolarHBondContact OG1-O 2.86Å
527	K	92.4	Very high	90.3	Very high	47 Å²	47	42.7 Å²	42.7	20%	0.204	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75	140	167.2	-71.7	174.5	171.7	177.2	0	108.5	T529 D530 L531 I568 F653	K527-T529 PolarHBondContact O-N 3.1Å; K527-T529 VanDerWaalsContact O-N 3.14Å; K527-D530 HydrophobicContact CB-CB 4.31Å; K527-D530 PolarHBondContact O-N 3.24Å; K527-L531 PolarHBondContact O-N 3.41Å; K527-I568 HydrophobicContact CG-CG1 3.96Å; K527-F653 HydrophobicContact CD-CD1 4.03Å; K527-F653 HydrophobicContact CD-CE1 4.17Å; K527-F653 HydrophobicContact CG-CD1 4.09Å; K527-F653 HydrophobicContact CG-CE1 3.84Å
528	I	91.1	Very high	90.1	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-33.8	177.7	-62.2	179.7	0	0	0	110.9	D530 L531 R536 F539 L540 L567 L583 L736	I528-D530 PolarHBondContact O-N 2.71Å; I528-L531 PolarHBondContact O-N 2.58Å; I528-R536 HydrophobicContact CG2-CG 4.01Å; I528-R536 WeakPolarHBondContact O-CG 3.2Å; I528-R536 PolarHBondContact O-NE 3.45Å; I528-R536 VanDerWaalsContact O-NE 3.12Å; I528-F539 HydrophobicContact CG2-CB 4.21Å; I528-L540 HydrophobicContact CG2-CD1 3.67Å; I528-L540 HydrophobicContact CG2-CG 3.9Å; I528-L567 HydrophobicContact CD1-CB 3.62Å; I528-L567 HydrophobicContact CD1-CD1 4.19Å; I528-L567 HydrophobicContact CG1-CB 4.24Å; I528-L567 WeakPolarHBondContact CG1-O 3.38Å; I528-L567 PolarHBondContact N-O 2.8Å; I528-L583 HydrophobicContact CD1-CD2 3.4Å; I528-L583 VanDerWaalsContact CD1-CD2 3.4Å; I528-L583 HydrophobicContact CG1-CD2 3.83Å; I528-L736 HydrophobicContact CD1-CD1 3.56Å
529	T	89.1	Confident	90.1	Very high	52 Å²	52	41.9 Å²	41.9	32%	0.319	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-18.4	175.6	49.4	0	0	0	0	114.5	K527 R536 K565	K527-T529 PolarHBondContact O-N 3.1Å; K527-T529 VanDerWaalsContact O-N 3.14Å; T529-R536 VanDerWaalsContact O-CZ 3.26Å; T529-R536 PolarHBondContact O-NH2 3.48Å; T529-K565 HydrophobicContact CG2-CB 4.13Å; T529-K565 WeakPolarHBondContact CG2-O 3.46Å
530	D	90.7	Very high	89.8	Confident	100 Å²	100	41.4 Å²	41.4	54%	0.535	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.5	-16.1	-174.8	-59.6	-6.5	0	0	0	111.3	K527 I528	K527-D530 HydrophobicContact CB-CB 4.31Å; K527-D530 PolarHBondContact O-N 3.24Å; I528-D530 PolarHBondContact O-N 2.71Å
531	L	90.8	Very high	88.8	Confident	1 Å²	1	40.2 Å²	40.2	1%	0.005	20%	0.202	C	C	.	.	S	Bend	trans	-59	143.9	172.1	-72.4	172.9	0	0	0	111.8	T526 K527 I528 E535 R536 F539	T526-L531 HydrophobicContact CG2-CD1 4.39Å; T526-L531 HydrophobicContact CG2-CD2 3.72Å; T526-L531 HydrophobicContact CG2-CG 3.92Å; K527-L531 PolarHBondContact O-N 3.41Å; I528-L531 PolarHBondContact O-N 2.58Å; L531-E535 HydrophobicContact CB-CB 4.48Å; L531-R536 HydrophobicContact CB-CB 4.09Å; L531-R536 PolarHBondContact O-NE 3.32Å; L531-R536 PolarHBondContact O-NH2 2.94Å; L531-F539 HydrophobicContact CD1-CD2 3.7Å; L531-F539 HydrophobicContact CD1-CE2 3.65Å
532	P	90.1	Very high	87	Confident	36 Å²	36	43.1 Å²	43.1	23%	0.234	22%	0.22	C	C	.	.			trans	-60.9	154.5	172.7	-4.7	14.9	0	0	0	111.2	R534 E535 R536 W615 E616	P532-R534 PolarHBondContact O-N 3.28Å; P532-E535 VanDerWaalsContact CB-OE2 3.23Å; P532-E535 WeakPolarHBondContact CB-OE2 3.41Å; P532-E535 WeakPolarHBondContact CG-OE2 3.44Å; P532-E535 PolarHBondContact O-N 2.74Å; P532-E535 VanDerWaalsContact O-N 3.15Å; P532-R536 WeakPolarHBondContact O-CB 3.32Å; P532-R536 PolarHBondContact O-N 3.27Å; P532-W615 HydrophobicContact CG-CH2 4.15Å; P532-W615 HydrophobicContact CG-CZ2 4.47Å; P532-W615 HydrophobicContact CG-CZ3 4.37Å; P532-E616 HydrophobicContact CG-CG 4.37Å
533	Q	86.2	Confident	84.9	Confident	111 Å²	111	49 Å²	49	52%	0.519	24%	0.244	S	C	.	.	H	α-helix	trans	-56.7	-32.5	-166.3	-176.5	62.8	23.7	0	0	113.7	S537	Q533-S537 PolarHBondContact O-N 2.98Å
534	R	83.5	Confident	82.6	Confident	115 Å²	115	51.4 Å²	51.4	43%	0.434	26%	0.261	S	S	.	.	H	α-helix	trans	-76.5	-41.8	-177.3	-168.8	172.7	-179	162.8	-6.3	111.3	P532 S537 E617	P532-R534 PolarHBondContact O-N 3.28Å; R534-S537 WeakPolarHBondContact O-CB 3.31Å; R534-S537 PolarHBondContact O-N 2.88Å; R534-S537 PolarHBondContact O-OG 3.04Å; R534-E617 IonicContact NH1-OE1 2.72Å; R534-E617 PolarHBondContact NH1-OE1 3.17Å; R534-E617 IonicContact NH1-OE2 3.61Å
535	E	88.4	Confident	80.2	Confident	5 Å²	5	56.1 Å²	56.1	2%	0.023	28%	0.283	C	S	.	.	H	α-helix	trans	-69.3	-42.4	175.7	-67.6	64.9	-146.6	0	0	109.8	L531 P532 S537 F538 W615 E616 P637	L531-E535 HydrophobicContact CB-CB 4.48Å; P532-E535 VanDerWaalsContact CB-OE2 3.23Å; P532-E535 WeakPolarHBondContact CB-OE2 3.41Å; P532-E535 WeakPolarHBondContact CG-OE2 3.44Å; P532-E535 PolarHBondContact O-N 2.74Å; P532-E535 VanDerWaalsContact O-N 3.15Å; E535-S537 PolarHBondContact O-N 2.86Å; E535-F538 VanDerWaalsContact O-CB 3.31Å; E535-F538 WeakPolarHBondContact O-CB 3.39Å; E535-F538 PolarHBondContact O-N 2.92Å; E535-F538 VanDerWaalsContact O-N 3.1Å; E535-W615 HydrophobicContact CG-CE3 4.22Å; E535-E616 PolarHBondContact OE1-N 2.98Å; E535-P637 HydrophobicContact CB-CB 3.72Å; E535-P637 HydrophobicContact CB-CG 3.83Å; E535-P637 HydrophobicContact CG-CB 3.54Å; E535-P637 HydrophobicContact CG-CG 4.25Å
536	R	88.5	Confident	77.1	Confident	63 Å²	63	64.8 Å²	64.8	24%	0.238	32%	0.321	C	S	.	.	H	α-helix	trans	-57.9	-31.7	174.1	-164.3	-175.9	-56.3	145.8	-3.2	112.5	I528 T529 L531 P532 F538 F539 L540	I528-R536 HydrophobicContact CG2-CG 4.01Å; I528-R536 WeakPolarHBondContact O-CG 3.2Å; I528-R536 PolarHBondContact O-NE 3.45Å; I528-R536 VanDerWaalsContact O-NE 3.12Å; T529-R536 VanDerWaalsContact O-CZ 3.26Å; T529-R536 PolarHBondContact O-NH2 3.48Å; L531-R536 HydrophobicContact CB-CB 4.09Å; L531-R536 PolarHBondContact O-NE 3.32Å; L531-R536 PolarHBondContact O-NH2 2.94Å; P532-R536 WeakPolarHBondContact O-CB 3.32Å; P532-R536 PolarHBondContact O-N 3.27Å; R536-F538 PolarHBondContact O-N 2.61Å; R536-F539 PolarHBondContact O-N 3.34Å; R536-F539 VanDerWaalsContact O-N 3.11Å; R536-L540 HydrophobicContact CG-CB 4.49Å; R536-L540 HydrophobicContact CG-CD1 3.96Å; R536-L540 HydrophobicContact CG-CG 4.45Å; R536-L540 PolarHBondContact O-N 3.12Å
537	S	86.3	Confident	74.1	Confident	52 Å²	52	69 Å²	69	36%	0.364	35%	0.349	S	S	.	.	H	α-helix	trans	-65.9	-20.7	179.7	78.4	0	0	0	0	114.2	Q533 R534 E535 F539	Q533-S537 PolarHBondContact O-N 2.98Å; R534-S537 WeakPolarHBondContact O-CB 3.31Å; R534-S537 PolarHBondContact O-N 2.88Å; R534-S537 PolarHBondContact O-OG 3.04Å; E535-S537 PolarHBondContact O-N 2.86Å; S537-F539 VanDerWaalsContact C-N 3.33Å
538	F	85.4	Confident	71.3	Confident	52 Å²	52	71.3 Å²	71.3	23%	0.228	37%	0.37	C	S	.	.	H	α-helix	trans	-64.4	-39.7	171.5	-179.7	-90.8	0	0	0	111.5	E535 R536 P637	E535-F538 VanDerWaalsContact O-CB 3.31Å; E535-F538 WeakPolarHBondContact O-CB 3.39Å; E535-F538 PolarHBondContact O-N 2.92Å; E535-F538 VanDerWaalsContact O-N 3.1Å; R536-F538 PolarHBondContact O-N 2.61Å; F538-P637 HydrophobicContact CB-CG 3.93Å; F538-P637 VanDerWaalsContact CG-CD 3.47Å; F538-P637 HydrophobicContact CG-CG 4.28Å
539	F	87.6	Confident	68.6	Low	2 Å²	2	79.9 Å²	79.9	1%	0.009	41%	0.41	C	S	.	.	H	α-helix	trans	-90.1	-42	-177	-62.9	-72.7	0	0	0	112.4	I528 L531 R536 S537 E581 L583 P637 L639 L736	I528-F539 HydrophobicContact CG2-CB 4.21Å; L531-F539 HydrophobicContact CD1-CD2 3.7Å; L531-F539 HydrophobicContact CD1-CE2 3.65Å; R536-F539 PolarHBondContact O-N 3.34Å; R536-F539 VanDerWaalsContact O-N 3.11Å; S537-F539 VanDerWaalsContact C-N 3.33Å; F539-E581 WeakPolarHBondContact CZ-OE1 3.29Å; F539-L583 HydrophobicContact CD1-CD2 3.87Å; F539-L583 HydrophobicContact CE1-CD1 4.21Å; F539-L583 HydrophobicContact CE1-CD2 3.9Å; F539-P637 HydrophobicContact CE2-CG 4.04Å; F539-L639 HydrophobicContact CZ-CD2 4.43Å; F539-L736 HydrophobicContact CB-CD1 3.71Å; F539-L736 HydrophobicContact CD1-CD1 4.21Å; F539-L736 HydrophobicContact CG-CD1 4.4Å
540	L	84.4	Confident	65.7	Low	16 Å²	16	84 Å²	84	8%	0.084	43%	0.43	C	S	.	.	S	Bend	trans	-115	96.5	-176.2	-61.2	178	0	0	0	109.7	I528 R536 T542 I564 K565	I528-L540 HydrophobicContact CG2-CD1 3.67Å; I528-L540 HydrophobicContact CG2-CG 3.9Å; R536-L540 HydrophobicContact CG-CB 4.49Å; R536-L540 HydrophobicContact CG-CD1 3.96Å; R536-L540 HydrophobicContact CG-CG 4.45Å; R536-L540 PolarHBondContact O-N 3.12Å; L540-T542 PolarHBondContact O-N 3.5Å; L540-T542 PolarHBondContact O-OG1 3.38Å; L540-I564 HydrophobicContact CD2-CD1 3.64Å; L540-I564 HydrophobicContact CD2-CG1 3.97Å; L540-K565 HydrophobicContact CD1-CG 4.4Å
541	N	70.2	Confident	62.8	Low	72 Å²	72	87.6 Å²	87.6	39%	0.385	44%	0.443	S	S	.	.			trans	-59.2	103.6	171.9	-86.5	-28.3	0	0	0	110.2	E543 V544 D735	N541-E543 PolarHBondContact O-N 2.92Å; N541-V544 HydrophobicContact CB-CG2 4.1Å; N541-V544 PolarHBondContact O-N 2.96Å; N541-D735 PolarHBondContact ND2-OD2 3.22Å
542	T	55.8	Low	60	Low	79 Å²	79	93 Å²	93	49%	0.485	47%	0.471	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-25.6	-176	-48.4	0	0	0	0	111.8	L540	L540-T542 PolarHBondContact O-N 3.5Å; L540-T542 PolarHBondContact O-OG1 3.38Å
543	E	49.2	Very low	57.1	Low	178 Å²	178	96.6 Å²	96.6	83%	0.832	50%	0.498	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.3	-33.4	-178.8	-60.8	-156.8	157.5	0	0	113.1	N541 K546	N541-E543 PolarHBondContact O-N 2.92Å; E543-K546 PolarHBondContact O-N 3.42Å
544	V	46.2	Very low	54.3	Low	79 Å²	79	96.1 Å²	96.1	48%	0.479	51%	0.506	S	S	.	.	G	3₁₀ helix	trans	-76.5	-25.7	-177.9	-175.7	0	0	0	0	111.6	N541 K546 C547	N541-V544 HydrophobicContact CB-CG2 4.1Å; N541-V544 PolarHBondContact O-N 2.96Å; V544-K546 PolarHBondContact O-N 3.47Å; V544-C547 PolarHBondContact O-N 2.78Å
545	Q	42.2	Very low	52	Low	99 Å²	99	95.1 Å²	95.1	46%	0.463	51%	0.508	S	S	.	.	G	3₁₀ helix	trans	-72.3	-3.3	175.6	-79	-176.8	22.1	0	0	114.4	C547	Q545-C547 PolarHBondContact O-N 3.43Å
546	K	29.4	Very low	49.1	Very low	188 Å²	188	99 Å²	99	82%	0.817	54%	0.536	S	S	*	.	G	3₁₀ helix	trans	-82.2	19.1	168.3	-79.2	-175.6	179.2	173.9	0	113.9	E543 V544	E543-K546 PolarHBondContact O-N 3.42Å; V544-K546 PolarHBondContact O-N 3.47Å
547	C	29.2	Very low	46.3	Very low	101 Å²	101	103.5 Å²	103.5	68%	0.682	57%	0.565	S	S	*	*	S	Bend	trans	-58.4	131.7	166.2	-147.1	0	0	0	0	108.9	V544 Q545 Q549	V544-C547 PolarHBondContact O-N 2.78Å; Q545-C547 PolarHBondContact O-N 3.43Å; C547-Q549 PolarHBondContact O-N 2.78Å
548	P	33.2	Very low	44	Very low	97 Å²	97	106 Å²	106	63%	0.63	58%	0.578	S	S	*	*			trans	-67.5	127.8	-158.9	26.4	-32.4	0	0	0	110.5	N550	P548-N550 PolarHBondContact O-N 2.88Å
549	Q	33.6	Very low	42.5	Very low	180 Å²	180	112.6 Å²	112.6	84%	0.841	61%	0.61	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.1	19.5	172.1	-73.3	-175.6	-35.8	0	0	114.6	C547	C547-Q549 PolarHBondContact O-N 2.78Å
550	N	29.7	Very low	41.2	Very low	139 Å²	139	118.9 Å²	118.9	74%	0.743	64%	0.637	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.7	12	-174.4	-77.4	-5.3	0	0	0	114.9	P548	P548-N550 PolarHBondContact O-N 2.88Å
551	H	29.8	Very low	40.6	Very low	174 Å²	174	120.8 Å²	120.8	81%	0.806	66%	0.655	S	S	*	*	S	Bend	trans	-126.1	111.9	162.8	-82.5	-79	0	0	0	110.1
552	L	31.5	Very low	41.3	Very low	114 Å²	114	118.7 Å²	118.7	60%	0.597	64%	0.643	S	S	*	*			trans	73.2	57.3	174.5	-80.7	77.2	0	0	0	117.2	S554 I555	L552-S554 PolarHBondContact O-N 3.11Å; L552-I555 HydrophobicContact CD2-CD1 3.61Å; L552-I555 HydrophobicContact CD2-CG1 4.04Å
553	S	28.3	Very low	42.6	Very low	113 Å²	113	117.4 Å²	117.4	79%	0.79	63%	0.633	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.5	23.7	154.2	60.4	0	0	0	0	113.8
554	S	27.5	Very low	44.5	Very low	100 Å²	100	109.4 Å²	109.4	70%	0.699	60%	0.596	S	S	*	*	T	Hydrogen-bonded Turn	trans	-119.6	7.5	173.3	95.7	0	0	0	0	114.4	L552 S556	L552-S554 PolarHBondContact O-N 3.11Å; S554-S556 VanDerWaalsContact C-N 3.29Å
555	I	34.7	Very low	46.5	Very low	94 Å²	94	109.6 Å²	109.6	48%	0.482	59%	0.59	S	S	.	*	S	Bend	trans	-104.4	58.2	159.7	-50.2	176.5	0	0	0	106.6	L552 T558	L552-I555 HydrophobicContact CD2-CD1 3.61Å; L552-I555 HydrophobicContact CD2-CG1 4.04Å; I555-T558 HydrophobicContact CG2-CG2 4.19Å
556	S	28.3	Very low	48.7	Very low	86 Å²	86	110.3 Å²	110.3	60%	0.601	59%	0.593	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74	121.7	173.4	47.9	0	0	0	0	108.6	S554	S554-S556 VanDerWaalsContact C-N 3.29Å
557	N	29.7	Very low	51.7	Low	159 Å²	159	101.8 Å²	101.8	85%	0.85	56%	0.557	S	S	*	*	T	Hydrogen-bonded Turn	trans	90.5	17.9	165.1	-50.2	-16	0	0	0	119.2	E559	N557-E559 PolarHBondContact O-N 3.37Å
558	T	39	Very low	54.7	Low	103 Å²	103	97.3 Å²	97.3	63%	0.632	53%	0.526	S	S	*	.			trans	-81.7	111.7	158.7	54.3	0	0	0	0	107.9	I555 K560	I555-T558 HydrophobicContact CG2-CG2 4.19Å; T558-K560 PolarHBondContact O-N 2.77Å
559	E	52.1	Low	57.7	Low	192 Å²	192	92.7 Å²	92.7	90%	0.897	50%	0.496	S	S	*	.			trans	-44.5	127.4	164.6	-80.8	178.1	149.6	0	0	108.4	N557 A561	N557-E559 PolarHBondContact O-N 3.37Å; E559-A561 PolarHBondContact O-N 2.79Å
560	K	62.3	Low	60.6	Low	133 Å²	133	84.1 Å²	84.1	58%	0.578	46%	0.456	S	S	*	.			trans	-59.6	123.4	172.1	-74.4	-171.4	175.1	-166.9	0	107	T558 F562 D563 E690	T558-K560 PolarHBondContact O-N 2.77Å; K560-F562 PolarHBondContact O-N 2.83Å; K560-F562 VanDerWaalsContact O-N 3.16Å; K560-D563 HydrophobicContact CB-CB 4.1Å; K560-E690 VanDerWaalsContact C-OE1 3.29Å; K560-E690 WeakPolarHBondContact CA-OE1 3.32Å; K560-E690 WeakPolarHBondContact CB-OE1 3.48Å
561	A	69.8	Low	63.8	Low	57 Å²	57	77.5 Å²	77.5	47%	0.471	42%	0.421	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-29.9	-179.5	0	0	0	0	0	111.1	E559 E690 A694	E559-A561 PolarHBondContact O-N 2.79Å; A561-E690 HydrophobicContact CB-CG 4.31Å; A561-E690 PolarHBondContact N-OE1 3.45Å; A561-A694 HydrophobicContact CB-CB 3.78Å
562	F	84.9	Confident	66.9	Low	28 Å²	28	69.2 Å²	69.2	12%	0.123	38%	0.382	C	S	.	.	T	Hydrogen-bonded Turn	trans	-127.4	57	-178.1	-44.2	-56.7	0	0	0	112.3	K560 I564 E690 L693 A694 I704 F706 Q740 M744	K560-F562 PolarHBondContact O-N 2.83Å; K560-F562 VanDerWaalsContact O-N 3.16Å; F562-I564 PolarHBondContact O-N 2.86Å; F562-I564 VanDerWaalsContact O-N 3.13Å; F562-E690 HydrophobicContact CD2-CB 4.44Å; F562-E690 HydrophobicContact CD2-CG 3.72Å; F562-E690 HydrophobicContact CE2-CG 4.1Å; F562-E690 PolarHBondContact N-OE1 2.74Å; F562-L693 HydrophobicContact CE2-CB 4.22Å; F562-L693 HydrophobicContact CZ-CB 4.5Å; F562-A694 HydrophobicContact CZ-CB 4.39Å; F562-I704 HydrophobicContact CE1-CB 4.28Å; F562-I704 HydrophobicContact CE1-CG2 4.11Å; F562-I704 WeakPolarHBondContact CE1-O 3.49Å; F562-I704 HydrophobicContact CZ-CB 4.13Å; F562-I704 HydrophobicContact CZ-CG2 3.89Å; F562-F706 HydrophobicContact CB-CD2 4.26Å; F562-F706 HydrophobicContact CB-CE2 4.05Å; F562-F706 HydrophobicContact CD1-CD2 4.12Å; F562-F706 AromaticContact CD1-CE2 3.65Å; F562-F706 HydrophobicContact CD1-CE2 3.65Å; F562-F706 AromaticContact CD2-CE2 3.73Å; F562-F706 HydrophobicContact CD2-CE2 3.73Å; F562-F706 HydrophobicContact CD2-CZ 4.34Å; F562-F706 AromaticContact CE1-CE2 3.96Å; F562-F706 HydrophobicContact CE1-CE2 3.96Å; F562-F706 HydrophobicContact CE2-CE2 4.05Å; F562-F706 HydrophobicContact CE2-CZ 4.46Å; F562-F706 HydrophobicContact CG-CD2 4.13Å; F562-F706 AromaticContact CG-CE2 3.53Å; F562-F706 HydrophobicContact CG-CE2 3.53Å; F562-F706 HydrophobicContact CZ-CE2 4.15Å; F562-Q740 PolarHBondContact O-NE2 3.16Å; F562-M744 HydrophobicContact CD2-SD 3.82Å; F562-M744 HydrophobicContact CE2-SD 4.29Å
563	D	85.1	Confident	69.9	Low	52 Å²	52	64.2 Å²	64.2	28%	0.278	36%	0.356	S	S	.	.			trans	-68.9	108.5	-178.5	-167.8	4.1	0	0	0	113.4	K560 K565 Q566	K560-D563 HydrophobicContact CB-CB 4.1Å; D563-K565 PolarHBondContact O-N 3.14Å; D563-K565 VanDerWaalsContact O-N 3.09Å; D563-K565 WeakPolarHBondContact OD1-CB 3.44Å; D563-K565 PolarHBondContact OD1-N 2.84Å; D563-Q566 HydrophobicContact CB-CG 4.2Å; D563-Q566 PolarHBondContact O-N 2.91Å; D563-Q566 VanDerWaalsContact O-N 3.09Å
564	I	88.9	Confident	73	Confident	10 Å²	10	58.9 Å²	58.9	5%	0.051	32%	0.318	C	S	.	.	G	3₁₀ helix	trans	-59	-20.5	174.9	60.4	177.5	0	0	0	113.9	L540 F562 Q566 L567 H737	L540-I564 HydrophobicContact CD2-CD1 3.64Å; L540-I564 HydrophobicContact CD2-CG1 3.97Å; F562-I564 PolarHBondContact O-N 2.86Å; F562-I564 VanDerWaalsContact O-N 3.13Å; I564-Q566 VanDerWaalsContact C-N 3.29Å; I564-L567 HydrophobicContact CB-CD1 4.04Å; I564-L567 HydrophobicContact CG2-CD1 4.25Å; I564-L567 WeakPolarHBondContact O-CB 3.49Å; I564-L567 WeakPolarHBondContact O-CD1 3.47Å; I564-L567 WeakPolarHBondContact O-CG 3.42Å; I564-L567 PolarHBondContact O-N 3.37Å; I564-H737 HydrophobicContact CD1-CB 3.98Å
565	K	87.1	Confident	75.9	Confident	83 Å²	83	54.5 Å²	54.5	36%	0.361	29%	0.289	S	S	.	.	G	3₁₀ helix	trans	-72.2	-25.4	178.6	-64	180	179	-177.5	0	112.2	T529 L540 D563 L567	T529-K565 HydrophobicContact CG2-CB 4.13Å; T529-K565 WeakPolarHBondContact CG2-O 3.46Å; L540-K565 HydrophobicContact CD1-CG 4.4Å; D563-K565 PolarHBondContact O-N 3.14Å; D563-K565 VanDerWaalsContact O-N 3.09Å; D563-K565 WeakPolarHBondContact OD1-CB 3.44Å; D563-K565 PolarHBondContact OD1-N 2.84Å; K565-L567 VanDerWaalsContact C-N 3.27Å; K565-L567 PolarHBondContact O-N 2.94Å
566	Q	87.9	Confident	78.4	Confident	113 Å²	113	50 Å²	50	53%	0.528	27%	0.266	S	S	.	.	G	3₁₀ helix	trans	-85.5	0.2	179.9	-63.5	-67.4	-8.8	0	0	113	D563 I564	D563-Q566 HydrophobicContact CB-CG 4.2Å; D563-Q566 PolarHBondContact O-N 2.91Å; D563-Q566 VanDerWaalsContact O-N 3.09Å; I564-Q566 VanDerWaalsContact C-N 3.29Å
567	L	92.7	Very high	81.5	Confident	10 Å²	10	46 Å²	46	5%	0.052	24%	0.238	C	C	.	.	P	Polyproline II helix	trans	-66.5	143.9	-179.4	-64.4	172.7	0	0	0	111.8	I528 I564 K565 S584 F708 L736	I528-L567 HydrophobicContact CD1-CB 3.62Å; I528-L567 HydrophobicContact CD1-CD1 4.19Å; I528-L567 HydrophobicContact CG1-CB 4.24Å; I528-L567 WeakPolarHBondContact CG1-O 3.38Å; I528-L567 PolarHBondContact N-O 2.8Å; I564-L567 HydrophobicContact CB-CD1 4.04Å; I564-L567 HydrophobicContact CG2-CD1 4.25Å; I564-L567 WeakPolarHBondContact O-CB 3.49Å; I564-L567 WeakPolarHBondContact O-CD1 3.47Å; I564-L567 WeakPolarHBondContact O-CG 3.42Å; I564-L567 PolarHBondContact O-N 3.37Å; K565-L567 VanDerWaalsContact C-N 3.27Å; K565-L567 PolarHBondContact O-N 2.94Å; L567-S584 WeakPolarHBondContact CA-O 3.29Å; L567-S584 VanDerWaalsContact CD2-C 3.47Å; L567-F708 HydrophobicContact CD1-CD2 3.85Å; L567-F708 HydrophobicContact CD1-CE2 3.54Å; L567-F708 HydrophobicContact CD1-CZ 4.18Å; L567-F708 HydrophobicContact CD2-CD2 4.39Å; L567-F708 HydrophobicContact CD2-CE2 4.02Å; L567-F708 HydrophobicContact CG-CE2 4.46Å; L567-L736 HydrophobicContact CD1-CD1 4.41Å; L567-L736 HydrophobicContact CD1-CD2 4.49Å
568	I	93.5	Very high	84.6	Confident	7 Å²	7	38.5 Å²	38.5	4%	0.036	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	123.2	172.8	-64	169.1	0	0	0	107.5	F525 T526 K527 L583 S584 K587	F525-I568 HydrophobicContact CB-CG2 4.26Å; F525-I568 HydrophobicContact CD1-CG2 4.09Å; T526-I568 CarbonylContact O-C 3.48Å; T526-I568 WeakPolarHBondContact O-CA 3.47Å; K527-I568 HydrophobicContact CG-CG1 3.96Å; I568-L583 CarbonylContact O-C 3.4Å; I568-L583 WeakPolarHBondContact O-CA 3.17Å; I568-S584 PolarHBondContact N-O 3.1Å; I568-S584 PolarHBondContact O-N 2.94Å; I568-K587 HydrophobicContact CD1-CB 4.34Å
569	A	94.8	Very high	87.2	Confident	0 Å²	0	33.7 Å²	33.7	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	146	170.3	0	0	0	0	0	110.3	F525 T526 S582 L583 L639	F525-A569 VanDerWaalsContact CA-O 3.32Å; F525-A569 WeakPolarHBondContact CA-O 3.3Å; T526-A569 HydrophobicContact CG2-CB 4.19Å; T526-A569 PolarHBondContact N-O 3.01Å; T526-A569 PolarHBondContact O-N 3.34Å; A569-S582 CarbonylContact C-O 3.49Å; A569-S582 WeakPolarHBondContact CA-O 3.18Å; A569-L583 HydrophobicContact CB-CD2 3.76Å; A569-L583 HydrophobicContact CB-CG 3.86Å; A569-L639 HydrophobicContact CB-CD1 3.85Å; A569-L639 HydrophobicContact CB-CD2 3.73Å; A569-L639 HydrophobicContact CB-CG 4.45Å
570	C	95.6	Very high	89.3	Confident	0 Å²	0	24.6 Å²	24.6	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	117.3	-179.9	-176.3	0	0	0	0	110.1	V524 F525 E581 S582 A590 T594	V524-C570 CarbonylContact O-C 3.55Å; V524-C570 VanDerWaalsContact O-CA 3.31Å; V524-C570 WeakPolarHBondContact O-CA 3.34Å; F525-C570 HydrophobicContact CD1-CB 3.85Å; F525-C570 HydrophobicContact CE1-CB 3.87Å; F525-C570 WeakPolarHBondContact CE1-SG 3.25Å; C570-E581 VanDerWaalsContact O-CA 3.3Å; C570-E581 WeakPolarHBondContact O-CA 3.49Å; C570-S582 PolarHBondContact N-O 2.91Å; C570-S582 PolarHBondContact O-N 3.21Å; C570-A590 HydrophobicContact CB-CB 3.85Å; C570-T594 WeakPolarHBondContact CB-OG1 3.31Å; C570-T594 PolarHBondContact O-OG1 3.48Å
571	D	95.6	Very high	90.9	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	139.6	167.2	-88.7	0.9	0	0	0	109	Y408 Y523 V524 L578 E581 R613 L639	Y408-D571 WeakPolarHBondContact CE2-OD2 3.35Å; Y408-D571 PolarHBondContact OH-OD2 3.47Å; Y523-D571 CarbonylContact C-O 3.53Å; Y523-D571 WeakPolarHBondContact CA-O 3.35Å; V524-D571 HydrophobicContact CB-CB 4.22Å; V524-D571 PolarHBondContact N-O 2.98Å; V524-D571 PolarHBondContact O-N 3.4Å; D571-L578 HydrophobicContact CB-CD1 4.23Å; D571-E581 VanDerWaalsContact OD1-CG 3.29Å; D571-E581 WeakPolarHBondContact OD1-CG 3.41Å; D571-R613 IonicContact OD1-NH2 3.22Å; D571-R613 PolarHBondContact OD1-NH2 3.1Å; D571-R613 IonicContact OD2-CZ 3.66Å; D571-R613 IonicContact OD2-NH1 3.02Å; D571-R613 PolarHBondContact OD2-NH1 2.86Å; D571-R613 IonicContact OD2-NH2 2.75Å; D571-R613 PolarHBondContact OD2-NH2 3.03Å; D571-L639 HydrophobicContact CB-CD1 3.83Å; D571-L639 HydrophobicContact CB-CG 4.45Å; D571-L639 VanDerWaalsContact N-CD1 3.33Å
572	L	96.1	Very high	92.1	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	123.9	170.4	168.2	68.1	0	0	0	110.8	L509 P521 Y523 I579 A580 T594 A598	L509-L572 HydrophobicContact CD2-CD1 4.37Å; L509-L572 HydrophobicContact CD2-CD2 3.67Å; P521-L572 HydrophobicContact CB-CD1 3.77Å; Y523-L572 HydrophobicContact CD1-CB 4.39Å; Y523-L572 HydrophobicContact CD1-CD1 4.01Å; Y523-L572 HydrophobicContact CE1-CB 4.44Å; Y523-L572 HydrophobicContact CE1-CD1 3.69Å; Y523-L572 HydrophobicContact CE1-CG 4.46Å; Y523-L572 HydrophobicContact CE2-CD1 4.37Å; L572-I579 HydrophobicContact CD2-CB 4.24Å; L572-I579 HydrophobicContact CD2-CG2 4.32Å; L572-I579 HydrophobicContact CG-CB 4.26Å; L572-I579 PolarHBondContact O-N 3.36Å; L572-A580 HydrophobicContact CB-CB 4.49Å; L572-A580 HydrophobicContact CD2-CB 4.36Å; L572-A580 PolarHBondContact N-O 3.1Å; L572-T594 HydrophobicContact CB-CG2 3.33Å; L572-T594 HydrophobicContact CD2-CG2 4.33Å; L572-T594 HydrophobicContact CG-CG2 4.47Å; L572-A598 HydrophobicContact CD2-CB 3.33Å
573	L	94.4	Very high	92.6	Very high	9 Å²	9	14.2 Å²	14.2	5%	0.047	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	143.4	170.2	-56.4	108	0	0	0	110.8	Y408 T522 V524 V577	Y408-L573 HydrophobicContact CD2-CD1 4.06Å; Y408-L573 HydrophobicContact CD2-CD2 3.74Å; Y408-L573 HydrophobicContact CD2-CG 4.49Å; Y408-L573 HydrophobicContact CE2-CD1 3.74Å; Y408-L573 HydrophobicContact CE2-CD2 4.07Å; Y408-L573 HydrophobicContact CE2-CG 4.39Å; T522-L573 PolarHBondContact N-O 2.63Å; T522-L573 PolarHBondContact O-N 3.2Å; V524-L573 HydrophobicContact CG2-CD1 3.85Å; L573-V577 VanDerWaalsContact CA-O 3.31Å; L573-V577 WeakPolarHBondContact CA-O 3.27Å
574	I	93.2	Very high	93.1	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	6%	0.057	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	115.7	166.2	-63	170.6	0	0	0	107.5	L479 V513 I517 D576 V577 I579 L602	L479-I574 HydrophobicContact CD1-CB 4.49Å; L479-I574 HydrophobicContact CD1-CD1 4.14Å; L479-I574 HydrophobicContact CD1-CG2 3.85Å; V513-I574 HydrophobicContact CG1-CG2 3.71Å; V513-I574 HydrophobicContact CG2-CD1 3.69Å; V513-I574 HydrophobicContact CG2-CG1 4.36Å; I517-I574 HydrophobicContact CD1-CG2 3.79Å; I574-D576 PolarHBondContact O-N 2.91Å; I574-V577 PolarHBondContact N-O 2.62Å; I574-V577 VanDerWaalsContact N-O 3.16Å; I574-V577 PolarHBondContact O-N 3.36Å; I574-I579 HydrophobicContact CB-CD1 4.32Å; I574-I579 HydrophobicContact CB-CG1 4.06Å; I574-I579 HydrophobicContact CD1-CD1 4.42Å; I574-I579 HydrophobicContact CD1-CG1 3.94Å; I574-I579 HydrophobicContact CG1-CG1 3.88Å; I574-L602 HydrophobicContact CD1-CD1 4.33Å
575	G	88.5	Confident	93.1	Very high	8 Å²	8	14.6 Å²	14.6	8%	0.082	8%	0.082	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.4	-110.9	-159	0	0	0	0	0	109.1
576	D	88	Confident	93.1	Very high	1 Å²	1	11.6 Å²	11.6	1%	0.005	7%	0.071	C	C	.	.	T	Hydrogen-bonded Turn	trans	-126.7	20.1	177.4	61	4.4	0	0	0	112.3	L406 G409 R472 I574	L406-D576 HydrophobicContact CB-CB 4.1Å; L406-D576 WeakPolarHBondContact CB-OD2 3.48Å; L406-D576 VanDerWaalsContact CG-OD2 3.26Å; L406-D576 WeakPolarHBondContact CG-OD2 3.22Å; L406-D576 PolarHBondContact N-OD2 2.9Å; G409-D576 WeakPolarHBondContact CA-O 3.42Å; R472-D576 IonicContact CZ-OD1 2.81Å; R472-D576 VanDerWaalsContact CZ-OD1 3.28Å; R472-D576 IonicContact CZ-OD2 3.86Å; R472-D576 IonicContact NE-OD1 3.05Å; R472-D576 PolarHBondContact NE-OD1 3.31Å; R472-D576 IonicContact NE-OD2 2.8Å; R472-D576 IonicContact NH2-OD1 3.13Å; R472-D576 PolarHBondContact NH2-OD1 3.21Å; R472-D576 VanDerWaalsContact NH2-OD1 3.13Å; R472-D576 IonicContact NH2-OD2 2.67Å; R472-D576 PolarHBondContact NH2-OD2 2.66Å; I574-D576 PolarHBondContact O-N 2.91Å
577	V	91.9	Very high	93.2	Very high	0 Å²	0	8 Å²	8	0%	0	5%	0.054	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	127.2	175.1	-178.9	0	0	0	0	108.9	R472 M475 L573 I574 I579 L608 L623 L625	R472-V577 HydrophobicContact CB-CG2 4.31Å; R472-V577 HydrophobicContact CG-CG2 4.34Å; M475-V577 HydrophobicContact CE-CB 4.47Å; M475-V577 HydrophobicContact CE-CG2 3.89Å; L573-V577 VanDerWaalsContact CA-O 3.31Å; L573-V577 WeakPolarHBondContact CA-O 3.27Å; I574-V577 PolarHBondContact N-O 2.62Å; I574-V577 VanDerWaalsContact N-O 3.16Å; I574-V577 PolarHBondContact O-N 3.36Å; V577-I579 HydrophobicContact CB-CD1 4.18Å; V577-I579 HydrophobicContact CG1-CD1 3.91Å; V577-I579 WeakPolarHBondContact O-CG1 3.49Å; V577-I579 PolarHBondContact O-N 3.24Å; V577-L608 HydrophobicContact CB-CD1 4.32Å; V577-L608 HydrophobicContact CG1-CD1 3.45Å; V577-L608 VanDerWaalsContact CG1-CD1 3.45Å; V577-L608 HydrophobicContact CG2-CD1 3.83Å; V577-L623 HydrophobicContact CG2-CB 4.44Å; V577-L625 HydrophobicContact CG1-CD2 4.16Å; V577-L625 HydrophobicContact CG1-CG 4.41Å
578	L	94.5	Very high	93.1	Very high	3 Å²	3	9 Å²	9	2%	0.016	6%	0.061	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	119.5	171.6	-179.5	68.5	0	0	0	109.7	D571 L623 C624 L635	D571-L578 HydrophobicContact CB-CD1 4.23Å; L578-L623 PolarHBondContact N-O 2.94Å; L578-C624 HydrophobicContact CB-CB 4.19Å; L578-C624 WeakPolarHBondContact O-CA 3.23Å; L578-L635 HydrophobicContact CD2-CD1 4.11Å; L578-L635 HydrophobicContact CD2-CD2 4.13Å
579	I	95	Very high	92.9	Very high	2 Å²	2	9.9 Å²	9.9	1%	0.01	7%	0.066	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	-51.4	-174.8	-53.5	-60.5	0	0	0	111.3	L572 I574 V577 A598 I601 L602 L625	L572-I579 HydrophobicContact CD2-CB 4.24Å; L572-I579 HydrophobicContact CD2-CG2 4.32Å; L572-I579 HydrophobicContact CG-CB 4.26Å; L572-I579 PolarHBondContact O-N 3.36Å; I574-I579 HydrophobicContact CB-CD1 4.32Å; I574-I579 HydrophobicContact CB-CG1 4.06Å; I574-I579 HydrophobicContact CD1-CD1 4.42Å; I574-I579 HydrophobicContact CD1-CG1 3.94Å; I574-I579 HydrophobicContact CG1-CG1 3.88Å; V577-I579 HydrophobicContact CB-CD1 4.18Å; V577-I579 HydrophobicContact CG1-CD1 3.91Å; V577-I579 WeakPolarHBondContact O-CG1 3.49Å; V577-I579 PolarHBondContact O-N 3.24Å; I579-A598 HydrophobicContact CG2-CB 3.86Å; I579-I601 VanDerWaalsContact O-CD1 3.25Å; I579-I601 WeakPolarHBondContact O-CD1 3.4Å; I579-L602 HydrophobicContact CG2-CD1 4.17Å; I579-L602 HydrophobicContact CG2-CG 4.36Å; I579-L625 HydrophobicContact CD1-CD1 3.74Å; I579-L625 HydrophobicContact CD1-CG 4.15Å; I579-L625 HydrophobicContact CG2-CD1 4.05Å
580	A	95.6	Very high	92.8	Very high	0 Å²	0	9.9 Å²	9.9	0%	0	7%	0.066	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	159.4	-170.2	0	0	0	0	0	110.4	L572 T594 Q597 A598 I601	L572-A580 HydrophobicContact CB-CB 4.49Å; L572-A580 HydrophobicContact CD2-CB 4.36Å; L572-A580 PolarHBondContact N-O 3.1Å; A580-T594 HydrophobicContact CB-CG2 3.82Å; A580-Q597 HydrophobicContact CB-CB 4.08Å; A580-Q597 HydrophobicContact CB-CG 4.1Å; A580-A598 HydrophobicContact CB-CB 4.34Å; A580-I601 HydrophobicContact CB-CD1 4.22Å
581	E	95.1	Very high	92.8	Very high	1 Å²	1	12.3 Å²	12.3	1%	0.005	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	129.4	177.8	176.7	-174.1	163.6	0	0	109.5	F539 C570 D571 Q597 R613 S636 V710	F539-E581 WeakPolarHBondContact CZ-OE1 3.29Å; C570-E581 VanDerWaalsContact O-CA 3.3Å; C570-E581 WeakPolarHBondContact O-CA 3.49Å; D571-E581 VanDerWaalsContact OD1-CG 3.29Å; D571-E581 WeakPolarHBondContact OD1-CG 3.41Å; E581-Q597 PolarHBondContact O-OE1 3.4Å; E581-R613 IonicContact OE2-NH2 3.95Å; E581-S636 WeakPolarHBondContact OE1-CB 3.45Å; E581-S636 PolarHBondContact OE1-OG 2.89Å; E581-S636 VanDerWaalsContact OE1-OG 3.08Å; E581-S636 VanDerWaalsContact OE2-CB 3.27Å; E581-S636 WeakPolarHBondContact OE2-CB 3.39Å; E581-S636 PolarHBondContact OE2-OG 2.91Å; E581-V710 HydrophobicContact CB-CB 4.25Å; E581-V710 HydrophobicContact CB-CG2 4.46Å; E581-V710 HydrophobicContact CG-CB 4.3Å; E581-V710 HydrophobicContact CG-CG2 3.99Å; E581-V710 PolarHBondContact O-N 2.85Å
582	S	96	Very high	92.7	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	164.9	178.6	84	0	0	0	0	112.9	A569 C570 A590 C593 T594 F708	A569-S582 CarbonylContact C-O 3.49Å; A569-S582 WeakPolarHBondContact CA-O 3.18Å; C570-S582 PolarHBondContact N-O 2.91Å; C570-S582 PolarHBondContact O-N 3.21Å; S582-A590 PolarHBondContact OG-O 3.22Å; S582-C593 VanDerWaalsContact CB-SG 3.52Å; S582-C593 WeakPolarHBondContact OG-CB 3.13Å; S582-T594 WeakPolarHBondContact OG-CA 3.37Å; S582-T594 PolarHBondContact OG-N 3.4Å; S582-T594 PolarHBondContact OG-OG1 2.91Å; S582-F708 CarbonylContact C-O 3.55Å; S582-F708 WeakPolarHBondContact CA-O 3.1Å; S582-F708 WeakPolarHBondContact CB-O 3.18Å
583	L	95.5	Very high	92.6	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	142.5	-180	-46	87.5	0	0	0	110.6	I528 F539 I568 A569 F708 V710 L736	I528-L583 HydrophobicContact CD1-CD2 3.4Å; I528-L583 VanDerWaalsContact CD1-CD2 3.4Å; I528-L583 HydrophobicContact CG1-CD2 3.83Å; F539-L583 HydrophobicContact CD1-CD2 3.87Å; F539-L583 HydrophobicContact CE1-CD1 4.21Å; F539-L583 HydrophobicContact CE1-CD2 3.9Å; I568-L583 CarbonylContact O-C 3.4Å; I568-L583 WeakPolarHBondContact O-CA 3.17Å; A569-L583 HydrophobicContact CB-CD2 3.76Å; A569-L583 HydrophobicContact CB-CG 3.86Å; L583-F708 HydrophobicContact CB-CB 4.12Å; L583-F708 HydrophobicContact CB-CD2 4.5Å; L583-F708 HydrophobicContact CD1-CB 4.03Å; L583-F708 PolarHBondContact N-O 3.25Å; L583-F708 PolarHBondContact O-N 2.8Å; L583-V710 HydrophobicContact CD1-CG2 3.78Å; L583-L736 HydrophobicContact CD2-CD1 4.31Å
584	S	94.2	Very high	92.7	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.7	175.2	176.7	-160.7	0	0	0	0	112.4	L567 I568 S586 L589	L567-S584 WeakPolarHBondContact CA-O 3.29Å; L567-S584 VanDerWaalsContact CD2-C 3.47Å; I568-S584 PolarHBondContact N-O 3.1Å; I568-S584 PolarHBondContact O-N 2.94Å; S584-S586 VanDerWaalsContact C-N 3.3Å; S584-S586 PolarHBondContact O-N 3.46Å; S584-L589 WeakPolarHBondContact OG-CB 3.21Å; S584-L589 WeakPolarHBondContact OG-CD2 3.13Å; S584-L589 WeakPolarHBondContact OG-CG 3.3Å
585	A	89.1	Confident	92.9	Very high	69 Å²	69	13.4 Å²	13.4	57%	0.57	8%	0.083	S	C	*	.	S	Bend	trans	-70.3	-22.2	-176.4	0	0	0	0	0	114.1
586	S	87.7	Confident	93.2	Very high	20 Å²	20	13.3 Å²	13.3	14%	0.14	8%	0.08	C	C	.	.	S	Bend	trans	-133	162.3	178.7	71.6	0	0	0	0	111.7	S584 S588 L589 A590	S584-S586 VanDerWaalsContact C-N 3.3Å; S584-S586 PolarHBondContact O-N 3.46Å; S586-S588 PolarHBondContact OG-OG 2.9Å; S586-S588 VanDerWaalsContact OG-OG 3.13Å; S586-L589 PolarHBondContact O-N 3.49Å; S586-L589 VanDerWaalsContact OG-CB 3.28Å; S586-L589 WeakPolarHBondContact OG-CB 3.37Å; S586-L589 PolarHBondContact OG-N 3.35Å; S586-A590 WeakPolarHBondContact O-CB 3.17Å; S586-A590 PolarHBondContact O-N 3.02Å
587	K	90.3	Very high	93.6	Very high	39 Å²	39	13.8 Å²	13.8	17%	0.17	8%	0.082	C	C	.	.	H	α-helix	trans	-61.6	-47.9	178.7	-169.5	-172.7	-174.5	173.6	0	110.9	F525 I568 L589 A590 Q591 D650 F653 D656	F525-K587 HydrophobicContact CD1-CD 4.41Å; F525-K587 HydrophobicContact CD1-CG 3.49Å; F525-K587 VanDerWaalsContact CD1-CG 3.49Å; F525-K587 HydrophobicContact CD2-CD 4.4Å; F525-K587 HydrophobicContact CD2-CG 4.31Å; F525-K587 HydrophobicContact CE1-CD 4.42Å; F525-K587 HydrophobicContact CE1-CG 3.46Å; F525-K587 VanDerWaalsContact CE1-CG 3.46Å; F525-K587 WeakPolarHBondContact CE1-O 3.08Å; F525-K587 HydrophobicContact CE2-CD 4.4Å; F525-K587 HydrophobicContact CE2-CG 4.28Å; F525-K587 HydrophobicContact CG-CD 4.37Å; F525-K587 HydrophobicContact CG-CG 3.91Å; F525-K587 HydrophobicContact CZ-CD 4.39Å; F525-K587 HydrophobicContact CZ-CG 3.86Å; I568-K587 HydrophobicContact CD1-CB 4.34Å; K587-L589 PolarHBondContact O-N 3.46Å; K587-A590 PolarHBondContact O-N 3.21Å; K587-Q591 WeakPolarHBondContact O-CB 3.31Å; K587-Q591 PolarHBondContact O-N 3.06Å; K587-D650 WeakPolarHBondContact CE-OD2 3.36Å; K587-D650 IonicContact NZ-OD2 2.68Å; K587-D650 PolarHBondContact NZ-OD2 2.96Å; K587-F653 HydrophobicContact CB-CD2 4.5Å; K587-F653 HydrophobicContact CD-CD2 4.09Å; K587-F653 HydrophobicContact CD-CE2 4.37Å; K587-F653 HydrophobicContact CG-CD2 4.42Å; K587-D656 WeakPolarHBondContact CB-OD1 3.45Å
588	S	89.5	Confident	93.8	Very high	30 Å²	30	13.8 Å²	13.8	21%	0.21	8%	0.082	C	C	.	.	H	α-helix	trans	-59.8	-45.2	179.7	59.8	0	0	0	0	112.3	S586 Q591 I592 I659	S586-S588 PolarHBondContact OG-OG 2.9Å; S586-S588 VanDerWaalsContact OG-OG 3.13Å; S588-Q591 WeakPolarHBondContact O-CB 3.34Å; S588-Q591 PolarHBondContact O-N 3.42Å; S588-I592 WeakPolarHBondContact O-CD1 3.31Å; S588-I592 VanDerWaalsContact O-CG1 3.3Å; S588-I592 WeakPolarHBondContact O-CG1 3.32Å; S588-I592 PolarHBondContact O-N 3.46Å; S588-I659 WeakPolarHBondContact OG-CD1 3.21Å; S588-I659 WeakPolarHBondContact OG-CG1 3.4Å
589	L	89.7	Confident	93.9	Very high	25 Å²	25	13.6 Å²	13.6	13%	0.131	8%	0.082	C	C	.	.	H	α-helix	trans	-71.3	-36.9	-178.1	-165.2	60.3	0	0	0	111.4	S584 S586 K587 Q591 I592 C593 E707	S584-L589 WeakPolarHBondContact OG-CB 3.21Å; S584-L589 WeakPolarHBondContact OG-CD2 3.13Å; S584-L589 WeakPolarHBondContact OG-CG 3.3Å; S586-L589 PolarHBondContact O-N 3.49Å; S586-L589 VanDerWaalsContact OG-CB 3.28Å; S586-L589 WeakPolarHBondContact OG-CB 3.37Å; S586-L589 PolarHBondContact OG-N 3.35Å; K587-L589 PolarHBondContact O-N 3.46Å; L589-Q591 VanDerWaalsContact C-N 3.32Å; L589-Q591 PolarHBondContact O-N 3.09Å; L589-I592 PolarHBondContact O-N 2.88Å; L589-C593 WeakPolarHBondContact O-CB 3.08Å; L589-C593 PolarHBondContact O-N 3.32Å; L589-E707 WeakPolarHBondContact CD1-OE1 3.37Å; L589-E707 HydrophobicContact CD2-CG 4.37Å; L589-E707 HydrophobicContact CG-CG 4.16Å; L589-E707 WeakPolarHBondContact CG-OE1 3.28Å
590	A	93.8	Very high	93.8	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-63.8	-39.3	172.1	0	0	0	0	0	111.2	C570 S582 S586 K587 C593 T594	C570-A590 HydrophobicContact CB-CB 3.85Å; S582-A590 PolarHBondContact OG-O 3.22Å; S586-A590 WeakPolarHBondContact O-CB 3.17Å; S586-A590 PolarHBondContact O-N 3.02Å; K587-A590 PolarHBondContact O-N 3.21Å; A590-C593 PolarHBondContact O-N 3.42Å; A590-T594 WeakPolarHBondContact O-CB 3.46Å; A590-T594 PolarHBondContact O-N 3.26Å; A590-T594 PolarHBondContact O-OG1 3.5Å
591	Q	94.5	Very high	93.7	Very high	52 Å²	52	18.2 Å²	18.2	24%	0.243	10%	0.104	C	C	.	.	H	α-helix	trans	-64.1	-48.9	176.2	-162.1	-178.9	17.9	0	0	112.1	V506 Y523 F525 K587 S588 L589 C593 T594 A595	V506-Q591 HydrophobicContact CG1-CG 4.16Å; V506-Q591 HydrophobicContact CG2-CB 4.21Å; V506-Q591 HydrophobicContact CG2-CG 3.74Å; Y523-Q591 HydrophobicContact CD1-CG 3.51Å; Y523-Q591 HydrophobicContact CD2-CG 4.18Å; Y523-Q591 HydrophobicContact CE1-CG 3.53Å; Y523-Q591 HydrophobicContact CE2-CG 4.22Å; Y523-Q591 HydrophobicContact CG-CG 3.83Å; F525-Q591 HydrophobicContact CE1-CB 3.98Å; F525-Q591 HydrophobicContact CE1-CG 4.44Å; F525-Q591 HydrophobicContact CZ-CB 3.93Å; F525-Q591 HydrophobicContact CZ-CG 3.92Å; K587-Q591 WeakPolarHBondContact O-CB 3.31Å; K587-Q591 PolarHBondContact O-N 3.06Å; S588-Q591 WeakPolarHBondContact O-CB 3.34Å; S588-Q591 PolarHBondContact O-N 3.42Å; L589-Q591 VanDerWaalsContact C-N 3.32Å; L589-Q591 PolarHBondContact O-N 3.09Å; Q591-C593 VanDerWaalsContact C-N 3.35Å; Q591-C593 PolarHBondContact O-N 3Å; Q591-T594 PolarHBondContact O-N 3.42Å; Q591-A595 WeakPolarHBondContact O-CB 3.32Å; Q591-A595 PolarHBondContact O-N 3.42Å
592	I	93.2	Very high	93.6	Very high	32 Å²	32	18.2 Å²	18.2	16%	0.164	10%	0.104	C	C	.	.	H	α-helix	trans	-59.2	-47.3	176.8	-69	158.5	0	0	0	110.3	F502 F505 V506 S588 L589 T594 A595 R596	F502-I592 HydrophobicContact CZ-CD1 3.89Å; F505-I592 HydrophobicContact CD2-CG2 4.23Å; V506-I592 HydrophobicContact CG2-CB 4.47Å; V506-I592 HydrophobicContact CG2-CG1 3.88Å; S588-I592 WeakPolarHBondContact O-CD1 3.31Å; S588-I592 VanDerWaalsContact O-CG1 3.3Å; S588-I592 WeakPolarHBondContact O-CG1 3.32Å; S588-I592 PolarHBondContact O-N 3.46Å; L589-I592 PolarHBondContact O-N 2.88Å; I592-T594 VanDerWaalsContact C-N 3.31Å; I592-T594 PolarHBondContact O-N 3.1Å; I592-A595 PolarHBondContact O-N 3.32Å; I592-R596 VanDerWaalsContact O-CB 3.3Å; I592-R596 WeakPolarHBondContact O-CB 3.47Å; I592-R596 PolarHBondContact O-N 3.18Å
593	C	95.2	Very high	93.4	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-60.1	-42.3	179.2	-178.8	0	0	0	0	111.6	S582 L589 A590 Q591 R596 Q597 E707 R727	S582-C593 VanDerWaalsContact CB-SG 3.52Å; S582-C593 WeakPolarHBondContact OG-CB 3.13Å; L589-C593 WeakPolarHBondContact O-CB 3.08Å; L589-C593 PolarHBondContact O-N 3.32Å; A590-C593 PolarHBondContact O-N 3.42Å; Q591-C593 VanDerWaalsContact C-N 3.35Å; Q591-C593 PolarHBondContact O-N 3Å; C593-R596 PolarHBondContact O-N 3.25Å; C593-R596 PolarHBondContact O-NH2 2.69Å; C593-Q597 WeakPolarHBondContact O-CB 3.5Å; C593-Q597 PolarHBondContact O-N 2.7Å; C593-E707 HydrophobicContact CB-CB 4.37Å; C593-E707 HydrophobicContact CB-CG 4.14Å; C593-R727 PolarHBondContact SG-NH2 2.9Å; C593-R727 VanDerWaalsContact SG-NH2 3.41Å
594	T	96.5	Very high	93	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-68	-44.5	178.8	-47.6	0	0	0	0	111.7	C570 L572 A580 S582 A590 Q591 I592 R596 Q597 A598	C570-T594 WeakPolarHBondContact CB-OG1 3.31Å; C570-T594 PolarHBondContact O-OG1 3.48Å; L572-T594 HydrophobicContact CB-CG2 3.33Å; L572-T594 HydrophobicContact CD2-CG2 4.33Å; L572-T594 HydrophobicContact CG-CG2 4.47Å; A580-T594 HydrophobicContact CB-CG2 3.82Å; S582-T594 WeakPolarHBondContact OG-CA 3.37Å; S582-T594 PolarHBondContact OG-N 3.4Å; S582-T594 PolarHBondContact OG-OG1 2.91Å; A590-T594 WeakPolarHBondContact O-CB 3.46Å; A590-T594 PolarHBondContact O-N 3.26Å; A590-T594 PolarHBondContact O-OG1 3.5Å; Q591-T594 PolarHBondContact O-N 3.42Å; I592-T594 VanDerWaalsContact C-N 3.31Å; I592-T594 PolarHBondContact O-N 3.1Å; T594-R596 VanDerWaalsContact C-N 3.33Å; T594-R596 PolarHBondContact O-N 3.04Å; T594-Q597 WeakPolarHBondContact O-CB 3.3Å; T594-Q597 PolarHBondContact O-N 3Å; T594-A598 PolarHBondContact O-N 3.03Å
595	A	96.9	Very high	92.6	Very high	0 Å²	0	33 Å²	33	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-62.5	-41.6	177.3	0	0	0	0	0	111.6	F505 V506 L509 Y523 Q591 I592 A598 F599	F505-A595 HydrophobicContact CB-CB 4.03Å; V506-A595 HydrophobicContact CG2-CB 4.11Å; L509-A595 HydrophobicContact CB-CB 4.43Å; L509-A595 HydrophobicContact CD2-CB 4.02Å; Y523-A595 HydrophobicContact CE1-CB 4.4Å; Q591-A595 WeakPolarHBondContact O-CB 3.32Å; Q591-A595 PolarHBondContact O-N 3.42Å; I592-A595 PolarHBondContact O-N 3.32Å; A595-A598 VanDerWaalsContact O-CB 3.23Å; A595-A598 WeakPolarHBondContact O-CB 3.37Å; A595-A598 PolarHBondContact O-N 2.58Å; A595-F599 WeakPolarHBondContact O-CD2 3.35Å; A595-F599 PolarHBondContact O-N 3.35Å; A595-F599 VanDerWaalsContact O-N 3.1Å
596	R	95.1	Very high	92.5	Very high	5 Å²	5	30.1 Å²	30.1	2%	0.019	15%	0.154	C	C	.	.	H	α-helix	trans	-63.3	-43.2	174.6	-171	-167.5	58.9	53.6	39.9	111.5	F491 F505 I592 C593 T594 A598 F599 Q600 E709 R727	F491-R596 HydrophobicContact CE1-CG 3.85Å; F491-R596 HydrophobicContact CZ-CG 4.41Å; F505-R596 HydrophobicContact CB-CB 4.17Å; F505-R596 HydrophobicContact CD1-CB 3.93Å; F505-R596 HydrophobicContact CD1-CG 3.89Å; F505-R596 HydrophobicContact CD2-CB 3.9Å; F505-R596 HydrophobicContact CD2-CG 3.96Å; F505-R596 HydrophobicContact CE1-CB 4.27Å; F505-R596 HydrophobicContact CE1-CG 3.7Å; F505-R596 HydrophobicContact CE2-CB 4.24Å; F505-R596 HydrophobicContact CE2-CG 3.77Å; F505-R596 HydrophobicContact CG-CB 3.73Å; F505-R596 HydrophobicContact CG-CG 4.02Å; F505-R596 HydrophobicContact CZ-CB 4.42Å; F505-R596 HydrophobicContact CZ-CG 3.63Å; I592-R596 VanDerWaalsContact O-CB 3.3Å; I592-R596 WeakPolarHBondContact O-CB 3.47Å; I592-R596 PolarHBondContact O-N 3.18Å; C593-R596 PolarHBondContact O-N 3.25Å; C593-R596 PolarHBondContact O-NH2 2.69Å; T594-R596 VanDerWaalsContact C-N 3.33Å; T594-R596 PolarHBondContact O-N 3.04Å; R596-A598 VanDerWaalsContact C-N 3.28Å; R596-A598 PolarHBondContact O-N 2.8Å; R596-F599 WeakPolarHBondContact O-CB 3.45Å; R596-F599 PolarHBondContact O-N 3.44Å; R596-Q600 PolarHBondContact O-N 3.15Å; R596-Q600 VanDerWaalsContact O-N 3.1Å; R596-E709 IonicContact CZ-OE1 3.98Å; R596-E709 IonicContact NH1-OE1 2.7Å; R596-E709 IonicContact NH2-OE1 2.8Å; R596-E709 PolarHBondContact NH2-OE1 3.42Å; R596-E709 IonicContact NH2-OE2 3.77Å; R596-E709 PolarHBondContact NH2-OE2 2.98Å; R596-R727 VanDerWaalsContact NE-NH2 3.18Å
597	Q	95.6	Very high	92.4	Very high	11 Å²	11	33.5 Å²	33.5	5%	0.051	17%	0.166	C	C	.	.	H	α-helix	trans	-60.1	-39.4	174	-170	-173.2	21.5	0	0	111.3	A580 E581 C593 T594 F599 Q600 I601 E709 V710	A580-Q597 HydrophobicContact CB-CB 4.08Å; A580-Q597 HydrophobicContact CB-CG 4.1Å; E581-Q597 PolarHBondContact O-OE1 3.4Å; C593-Q597 WeakPolarHBondContact O-CB 3.5Å; C593-Q597 PolarHBondContact O-N 2.7Å; T594-Q597 WeakPolarHBondContact O-CB 3.3Å; T594-Q597 PolarHBondContact O-N 3Å; Q597-F599 PolarHBondContact O-N 2.88Å; Q597-Q600 WeakPolarHBondContact O-CB 3.23Å; Q597-Q600 PolarHBondContact O-N 3.26Å; Q597-I601 HydrophobicContact CG-CD1 4.02Å; Q597-I601 WeakPolarHBondContact O-CG1 3.22Å; Q597-I601 PolarHBondContact O-N 3.37Å; Q597-E709 WeakPolarHBondContact CB-OE1 3.42Å; Q597-E709 HydrophobicContact CG-CG 4.45Å; Q597-E709 WeakPolarHBondContact CG-OE1 3.4Å; Q597-V710 PolarHBondContact NE2-O 3.4Å
598	A	96.3	Very high	92.3	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-58.4	-46.1	175.5	0	0	0	0	0	112.1	L509 L572 I579 A580 T594 A595 R596 Q600 I601 L602	L509-A598 HydrophobicContact CD1-CB 4.5Å; L509-A598 HydrophobicContact CD2-CB 3.9Å; L572-A598 HydrophobicContact CD2-CB 3.33Å; I579-A598 HydrophobicContact CG2-CB 3.86Å; A580-A598 HydrophobicContact CB-CB 4.34Å; T594-A598 PolarHBondContact O-N 3.03Å; A595-A598 VanDerWaalsContact O-CB 3.23Å; A595-A598 WeakPolarHBondContact O-CB 3.37Å; A595-A598 PolarHBondContact O-N 2.58Å; R596-A598 VanDerWaalsContact C-N 3.28Å; R596-A598 PolarHBondContact O-N 2.8Å; A598-Q600 VanDerWaalsContact C-N 3.3Å; A598-Q600 PolarHBondContact O-N 2.67Å; A598-I601 PolarHBondContact O-N 3.1Å; A598-L602 WeakPolarHBondContact O-CB 3.34Å; A598-L602 WeakPolarHBondContact O-CG 3.46Å; A598-L602 PolarHBondContact O-N 3.28Å
599	F	96.4	Very high	92.2	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-58.7	-41.1	173.1	-84	-70.9	0	0	0	111.8	C483 R486 L490 F491 F505 E508 L509 V512 A595 R596 Q597 I601 S603	C483-F599 HydrophobicContact CB-CD1 4.25Å; C483-F599 HydrophobicContact CB-CE1 4.5Å; R486-F599 HydrophobicContact CB-CE1 4.25Å; R486-F599 HydrophobicContact CG-CE1 4.14Å; R486-F599 HydrophobicContact CG-CZ 4.42Å; L490-F599 HydrophobicContact CD1-CD1 4.46Å; L490-F599 HydrophobicContact CD1-CD2 4.2Å; L490-F599 HydrophobicContact CD1-CE1 4.11Å; L490-F599 HydrophobicContact CD1-CE2 3.8Å; L490-F599 HydrophobicContact CD1-CZ 3.76Å; F491-F599 HydrophobicContact CE2-CB 3.99Å; F491-F599 HydrophobicContact CZ-CB 3.79Å; F505-F599 AromaticContact CD1-CD2 3.82Å; F505-F599 HydrophobicContact CD1-CD2 3.82Å; F505-F599 HydrophobicContact CD1-CE2 4.24Å; E508-F599 HydrophobicContact CB-CE2 4.08Å; E508-F599 HydrophobicContact CB-CZ 4Å; L509-F599 HydrophobicContact CB-CD2 4.48Å; L509-F599 HydrophobicContact CB-CE2 3.69Å; L509-F599 HydrophobicContact CB-CZ 4.09Å; L509-F599 HydrophobicContact CD1-CE2 4.17Å; L509-F599 HydrophobicContact CD1-CZ 4.19Å; V512-F599 HydrophobicContact CG2-CE1 4.4Å; V512-F599 HydrophobicContact CG2-CZ 4.4Å; A595-F599 WeakPolarHBondContact O-CD2 3.35Å; A595-F599 PolarHBondContact O-N 3.35Å; A595-F599 VanDerWaalsContact O-N 3.1Å; R596-F599 WeakPolarHBondContact O-CB 3.45Å; R596-F599 PolarHBondContact O-N 3.44Å; Q597-F599 PolarHBondContact O-N 2.88Å; F599-I601 PolarHBondContact O-N 3.13Å; F599-S603 WeakPolarHBondContact O-CB 3.25Å; F599-S603 PolarHBondContact O-N 2.63Å; F599-S603 PolarHBondContact O-OG 3.45Å
600	Q	93.4	Very high	92	Very high	61 Å²	61	30.5 Å²	30.5	29%	0.285	15%	0.152	S	C	.	.	H	α-helix	trans	-63.9	-40.6	177.9	-67	-171.3	-21.6	0	0	112.9	F491 R596 Q597 A598	F491-Q600 HydrophobicContact CE1-CG 3.76Å; F491-Q600 HydrophobicContact CE2-CG 3.95Å; F491-Q600 HydrophobicContact CZ-CB 4.29Å; F491-Q600 HydrophobicContact CZ-CG 3.26Å; R596-Q600 PolarHBondContact O-N 3.15Å; R596-Q600 VanDerWaalsContact O-N 3.1Å; Q597-Q600 WeakPolarHBondContact O-CB 3.23Å; Q597-Q600 PolarHBondContact O-N 3.26Å; A598-Q600 VanDerWaalsContact C-N 3.3Å; A598-Q600 PolarHBondContact O-N 2.67Å
601	I	93.3	Very high	91.8	Very high	37 Å²	37	30.6 Å²	30.6	19%	0.19	15%	0.153	C	C	.	.	H	α-helix	trans	-70.4	-52.3	179.5	-66	169.2	0	0	0	110.1	I579 A580 Q597 A598 F599 S603 R604 L625	I579-I601 VanDerWaalsContact O-CD1 3.25Å; I579-I601 WeakPolarHBondContact O-CD1 3.4Å; A580-I601 HydrophobicContact CB-CD1 4.22Å; Q597-I601 HydrophobicContact CG-CD1 4.02Å; Q597-I601 WeakPolarHBondContact O-CG1 3.22Å; Q597-I601 PolarHBondContact O-N 3.37Å; A598-I601 PolarHBondContact O-N 3.1Å; F599-I601 PolarHBondContact O-N 3.13Å; I601-S603 VanDerWaalsContact C-N 3.32Å; I601-S603 PolarHBondContact O-N 3.48Å; I601-R604 PolarHBondContact O-N 3.16Å; I601-R604 VanDerWaalsContact O-N 3.17Å; I601-L625 HydrophobicContact CG2-CB 4.3Å; I601-L625 HydrophobicContact CG2-CD1 3.8Å
602	L	93.8	Very high	91.5	Very high	1 Å²	1	29.9 Å²	29.9	1%	0.005	15%	0.152	C	C	.	.	H	α-helix	trans	-73.1	-21.1	-175.3	-67.5	170	0	0	0	113.4	V476 Q480 C483 I574 I579 A598 R604 L625	V476-L602 HydrophobicContact CG1-CD2 4.44Å; Q480-L602 WeakPolarHBondContact CA-O 3.39Å; Q480-L602 HydrophobicContact CG-CD2 4.26Å; Q480-L602 WeakPolarHBondContact CG-O 3.24Å; C483-L602 HydrophobicContact CB-CB 3.68Å; I574-L602 HydrophobicContact CD1-CD1 4.33Å; I579-L602 HydrophobicContact CG2-CD1 4.17Å; I579-L602 HydrophobicContact CG2-CG 4.36Å; A598-L602 WeakPolarHBondContact O-CB 3.34Å; A598-L602 WeakPolarHBondContact O-CG 3.46Å; A598-L602 PolarHBondContact O-N 3.28Å; L602-R604 PolarHBondContact O-N 3.34Å; L602-L625 HydrophobicContact CD2-CD1 3.77Å; L602-L625 HydrophobicContact CG-CD1 4.49Å
603	S	91.7	Very high	91.4	Very high	26 Å²	26	28.4 Å²	28.4	18%	0.182	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-10.8	172.3	-63.9	0	0	0	0	113.2	C483 F599 I601	C483-S603 PolarHBondContact O-OG 3.45Å; F599-S603 WeakPolarHBondContact O-CB 3.25Å; F599-S603 PolarHBondContact O-N 2.63Å; F599-S603 PolarHBondContact O-OG 3.45Å; I601-S603 VanDerWaalsContact C-N 3.32Å; I601-S603 PolarHBondContact O-N 3.48Å
604	R	87.8	Confident	91.2	Very high	174 Å²	174	31.8 Å²	31.8	66%	0.657	16%	0.16	S	C	*	.	S	Bend	trans	-114.4	155.5	179.4	-63.3	177.4	-177.7	160.2	3.1	110.1	I601 L602 C606	I601-R604 PolarHBondContact O-N 3.16Å; I601-R604 VanDerWaalsContact O-N 3.17Å; L602-R604 PolarHBondContact O-N 3.34Å; R604-C606 PolarHBondContact O-N 3.33Å; R604-C606 VanDerWaalsContact O-N 3.16Å
605	P	84.2	Confident	90.9	Very high	111 Å²	111	32.9 Å²	32.9	72%	0.721	17%	0.165	S	C	*	.			trans	-57.6	122.2	171	-23.1	33.9	0	0	0	111
606	C	88.1	Confident	90.5	Very high	9 Å²	9	38.6 Å²	38.6	6%	0.061	19%	0.191	C	C	.	.			trans	-138.6	156.4	173.8	70.9	0	0	0	0	111.1	Q480 R604 S626	Q480-C606 PolarHBondContact NE2-O 3.18Å; Q480-C606 PolarHBondContact NE2-SG 3.49Å; R604-C606 PolarHBondContact O-N 3.33Å; R604-C606 VanDerWaalsContact O-N 3.16Å; C606-S626 CarbonylContact C-O 3.54Å; C606-S626 VanDerWaalsContact CA-O 3.29Å; C606-S626 WeakPolarHBondContact CA-O 3.48Å; C606-S626 WeakPolarHBondContact CB-O 3.34Å
607	F	85.9	Confident	89.8	Confident	90 Å²	90	43.6 Å²	43.6	40%	0.395	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	143.1	-176.1	-60.4	-90.9	0	0	0	109.2	V609 L625 S626 P627 A629	F607-V609 HydrophobicContact CB-CG1 4.4Å; F607-L625 WeakPolarHBondContact O-CA 3.37Å; F607-S626 PolarHBondContact N-O 3.47Å; F607-S626 PolarHBondContact O-N 2.91Å; F607-P627 WeakPolarHBondContact CD2-O 3.41Å; F607-P627 WeakPolarHBondContact CE2-O 3.35Å; F607-A629 HydrophobicContact CB-CB 4.21Å; F607-A629 HydrophobicContact CD1-CB 3.98Å; F607-A629 HydrophobicContact CG-CB 3.98Å
608	L	88.3	Confident	89.2	Confident	7 Å²	7	44 Å²	44	4%	0.037	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79	125.6	169.4	-173.7	74.3	0	0	0	109.3	L469 R472 Q473 V577 L623 L625	L469-L608 HydrophobicContact CG-CD2 4.44Å; R472-L608 HydrophobicContact CB-CD2 3.24Å; R472-L608 HydrophobicContact CG-CD2 4.41Å; Q473-L608 VanDerWaalsContact OE1-CB 3.23Å; V577-L608 HydrophobicContact CB-CD1 4.32Å; V577-L608 HydrophobicContact CG1-CD1 3.45Å; V577-L608 VanDerWaalsContact CG1-CD1 3.45Å; V577-L608 HydrophobicContact CG2-CD1 3.83Å; L608-L623 HydrophobicContact CD1-CB 4.33Å; L608-L623 HydrophobicContact CD2-CD2 4.4Å; L608-L623 HydrophobicContact CG-CD2 4.38Å; L608-L625 HydrophobicContact CD1-CD2 4.33Å
609	V	85.4	Confident	88.7	Confident	13 Å²	13	46.7 Å²	46.7	8%	0.079	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	163.2	-179.2	-61.6	0	0	0	0	110.8	F607 C624 P633	F607-V609 HydrophobicContact CB-CG1 4.4Å; V609-C624 PolarHBondContact N-O 3.18Å; V609-C624 PolarHBondContact O-N 3.47Å; V609-P633 HydrophobicContact CG2-CG 3.7Å
610	G	85.7	Confident	88.4	Confident	11 Å²	11	47.4 Å²	47.4	11%	0.113	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	141.3	167.5	0	0	0	0	0	111.1	Y411 V622	Y411-G610 WeakPolarHBondContact OH-CA 3.49Å; G610-V622 CarbonylContact C-O 3.58Å; G610-V622 WeakPolarHBondContact CA-O 3.38Å
611	S	90.1	Very high	88.2	Confident	2 Å²	2	45.1 Å²	45.1	1%	0.014	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	-176.8	171.8	-175.9	0	0	0	0	110.6	L621 V622 C624 P633 L635	S611-L621 WeakPolarHBondContact O-CA 3.42Å; S611-V622 PolarHBondContact N-O 3.18Å; S611-V622 PolarHBondContact O-N 3.05Å; S611-C624 VanDerWaalsContact CB-SG 3.56Å; S611-P633 PolarHBondContact OG-O 2.78Å; S611-L635 WeakPolarHBondContact OG-CG 3.44Å
612	V	89	Confident	88.1	Confident	37 Å²	37	43.4 Å²	43.4	22%	0.224	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	131.8	178.8	-173.7	0	0	0	0	109.4	L414 P461 E619 Y620 L621	L414-V612 HydrophobicContact CD1-CG1 4.27Å; L414-V612 HydrophobicContact CD1-CG2 4.2Å; P461-V612 HydrophobicContact CB-CG2 3.84Å; P461-V612 HydrophobicContact CG-CG2 4.46Å; V612-E619 HydrophobicContact CG1-CB 3.68Å; V612-E619 HydrophobicContact CG1-CG 3.86Å; V612-Y620 CarbonylContact C-O 3.6Å; V612-Y620 VanDerWaalsContact CA-O 3.22Å; V612-Y620 WeakPolarHBondContact CA-O 3.25Å; V612-L621 HydrophobicContact CG2-CD2 4.06Å
613	R	91.4	Very high	87.9	Confident	1 Å²	1	43.3 Å²	43.3	0%	0.004	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	151.3	166.5	-69.4	-171.8	84.4	176	9	110.3	D571 E581 Y620 V622 L635 S636 P637 F638	D571-R613 IonicContact OD1-NH2 3.22Å; D571-R613 PolarHBondContact OD1-NH2 3.1Å; D571-R613 IonicContact OD2-CZ 3.66Å; D571-R613 IonicContact OD2-NH1 3.02Å; D571-R613 PolarHBondContact OD2-NH1 2.86Å; D571-R613 IonicContact OD2-NH2 2.75Å; D571-R613 PolarHBondContact OD2-NH2 3.03Å; E581-R613 IonicContact OE2-NH2 3.95Å; R613-Y620 PolarHBondContact N-O 2.85Å; R613-Y620 PolarHBondContact O-N 2.85Å; R613-V622 HydrophobicContact CB-CG2 4Å; R613-V622 HydrophobicContact CG-CB 4.45Å; R613-V622 HydrophobicContact CG-CG2 4Å; R613-L635 HydrophobicContact CG-CB 3.55Å; R613-L635 HydrophobicContact CG-CD1 3.55Å; R613-L635 HydrophobicContact CG-CG 4.21Å; R613-S636 WeakPolarHBondContact CG-O 3.3Å; R613-S636 PolarHBondContact NE-O 3.34Å; R613-S636 PolarHBondContact NH2-OG 2.91Å; R613-P637 PolarHBondContact NH2-O 3.45Å; R613-F638 HydrophobicContact CB-CD2 3.68Å; R613-F638 HydrophobicContact CB-CE2 3.35Å; R613-F638 HydrophobicContact CB-CG 4.43Å; R613-F638 HydrophobicContact CB-CZ 3.85Å; R613-F638 HydrophobicContact CG-CE2 4.42Å
614	Q	90.1	Very high	88	Confident	71 Å²	71	42.1 Å²	42.1	33%	0.332	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	143.3	179.5	-74.7	-178.7	-4.5	0	0	111.6	V618 E619 P637 F638	Q614-V618 WeakPolarHBondContact CA-O 3.44Å; Q614-E619 HydrophobicContact CG-CG 3.67Å; Q614-E619 PolarHBondContact NE2-OE1 3.47Å; Q614-P637 VanDerWaalsContact O-CA 3.29Å; Q614-P637 WeakPolarHBondContact O-CA 3.42Å; Q614-P637 WeakPolarHBondContact O-CB 3.34Å; Q614-F638 PolarHBondContact O-N 3.27Å
615	W	91.4	Very high	88.1	Confident	24 Å²	24	34.1 Å²	34.1	9%	0.091	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	125.1	167.7	-178.5	-100.6	0	0	0	109.4	P532 E535 E617 V618 Y620 F638 K640 D641	P532-W615 HydrophobicContact CG-CH2 4.15Å; P532-W615 HydrophobicContact CG-CZ2 4.47Å; P532-W615 HydrophobicContact CG-CZ3 4.37Å; E535-W615 HydrophobicContact CG-CE3 4.22Å; W615-E617 VanDerWaalsContact C-N 3.34Å; W615-E617 PolarHBondContact O-N 2.98Å; W615-V618 PolarHBondContact N-O 3.11Å; W615-V618 WeakPolarHBondContact O-CB 3.37Å; W615-V618 PolarHBondContact O-N 3.1Å; W615-Y620 HydrophobicContact CB-CD2 4.36Å; W615-Y620 HydrophobicContact CB-CE2 4Å; W615-F638 HydrophobicContact CB-CB 4.35Å; W615-F638 HydrophobicContact CB-CD2 3.87Å; W615-F638 HydrophobicContact CD2-CB 4.33Å; W615-F638 HydrophobicContact CE3-CB 3.71Å; W615-F638 HydrophobicContact CZ3-CB 4.39Å; W615-F638 WeakPolarHBondContact CZ3-O 3.45Å; W615-K640 VanDerWaalsContact CH2-C 3.42Å; W615-D641 VanDerWaalsContact CE2-CA 3.47Å; W615-D641 HydrophobicContact CZ2-CB 3.91Å; W615-D641 VanDerWaalsContact CZ2-N 3.26Å
616	E	86.9	Confident	88.4	Confident	119 Å²	119	28.9 Å²	28.9	56%	0.556	14%	0.142	S	C	*	.	T	Hydrogen-bonded Turn	trans	45.4	53.7	177.5	-65.7	-166.5	154.8	0	0	113.3	P532 E535 V618	P532-E616 HydrophobicContact CG-CG 4.37Å; E535-E616 PolarHBondContact OE1-N 2.98Å; E616-V618 PolarHBondContact O-N 3.37Å; E616-V618 VanDerWaalsContact O-N 3.17Å
617	E	80	Confident	88.3	Confident	111 Å²	111	31.5 Å²	31.5	52%	0.519	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	70.2	1.8	179.2	-35.9	-157.1	129.4	0	0	116.3	R534 W615	R534-E617 IonicContact NH1-OE1 2.72Å; R534-E617 PolarHBondContact NH1-OE1 3.17Å; R534-E617 IonicContact NH1-OE2 3.61Å; W615-E617 VanDerWaalsContact C-N 3.34Å; W615-E617 PolarHBondContact O-N 2.98Å
618	V	83.2	Confident	88	Confident	19 Å²	19	32.4 Å²	32.4	12%	0.115	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	140.3	178	-178.7	0	0	0	0	109.7	R413 Q614 W615 E616 Y620	R413-V618 HydrophobicContact CG-CG1 3.56Å; Q614-V618 WeakPolarHBondContact CA-O 3.44Å; W615-V618 PolarHBondContact N-O 3.11Å; W615-V618 WeakPolarHBondContact O-CB 3.37Å; W615-V618 PolarHBondContact O-N 3.1Å; E616-V618 PolarHBondContact O-N 3.37Å; E616-V618 VanDerWaalsContact O-N 3.17Å; V618-Y620 HydrophobicContact CB-CD2 4.48Å; V618-Y620 HydrophobicContact CB-CE2 3.64Å; V618-Y620 HydrophobicContact CG1-CD2 4.13Å; V618-Y620 HydrophobicContact CG1-CE1 4.11Å; V618-Y620 HydrophobicContact CG1-CE2 3.47Å; V618-Y620 VanDerWaalsContact CG1-CE2 3.47Å; V618-Y620 VanDerWaalsContact CG1-CZ 3.46Å
619	E	87.4	Confident	87.6	Confident	56 Å²	56	35.1 Å²	35.1	26%	0.262	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	127.5	173.9	-76.7	175.3	173.1	0	0	109.9	L414 V612 Q614	L414-E619 HydrophobicContact CB-CB 4.01Å; L414-E619 WeakPolarHBondContact CB-O 3.34Å; L414-E619 HydrophobicContact CD1-CB 4.01Å; L414-E619 HydrophobicContact CG-CB 4.47Å; L414-E619 PolarHBondContact N-O 3.4Å; V612-E619 HydrophobicContact CG1-CB 3.68Å; V612-E619 HydrophobicContact CG1-CG 3.86Å; Q614-E619 HydrophobicContact CG-CG 3.67Å; Q614-E619 PolarHBondContact NE2-OE1 3.47Å
620	Y	89.2	Confident	87.2	Confident	16 Å²	16	41.4 Å²	41.4	6%	0.063	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	146.9	176.3	-60.3	-92.7	0	0	0	110.8	M114 T410 G412 R413 V612 R613 W615 V618 F638 P642 F643	M114-Y620 HydrophobicContact CE-CD1 4.45Å; M114-Y620 HydrophobicContact SD-CD1 3.67Å; M114-Y620 HydrophobicContact SD-CE1 3.86Å; T410-Y620 HydrophobicContact CG2-CG 4.47Å; G412-Y620 CarbonylContact O-C 3.48Å; G412-Y620 WeakPolarHBondContact O-CA 3.41Å; R413-Y620 HydrophobicContact CB-CD1 4.07Å; R413-Y620 HydrophobicContact CB-CE1 4.06Å; R413-Y620 HydrophobicContact CG-CD1 4.24Å; R413-Y620 HydrophobicContact CG-CE1 3.9Å; V612-Y620 CarbonylContact C-O 3.6Å; V612-Y620 VanDerWaalsContact CA-O 3.22Å; V612-Y620 WeakPolarHBondContact CA-O 3.25Å; R613-Y620 PolarHBondContact N-O 2.85Å; R613-Y620 PolarHBondContact O-N 2.85Å; W615-Y620 HydrophobicContact CB-CD2 4.36Å; W615-Y620 HydrophobicContact CB-CE2 4Å; V618-Y620 HydrophobicContact CB-CD2 4.48Å; V618-Y620 HydrophobicContact CB-CE2 3.64Å; V618-Y620 HydrophobicContact CG1-CD2 4.13Å; V618-Y620 HydrophobicContact CG1-CE1 4.11Å; V618-Y620 HydrophobicContact CG1-CE2 3.47Å; V618-Y620 VanDerWaalsContact CG1-CE2 3.47Å; V618-Y620 VanDerWaalsContact CG1-CZ 3.46Å; Y620-F638 AromaticContact CD2-CE2 3.93Å; Y620-F638 HydrophobicContact CD2-CE2 3.93Å; Y620-F638 HydrophobicContact CG-CE2 4.17Å; Y620-P642 HydrophobicContact CD2-CG 4.37Å; Y620-P642 HydrophobicContact CE1-CG 4.4Å; Y620-P642 HydrophobicContact CE2-CG 4.15Å; Y620-F643 AromaticContact CE1-CE2 3.51Å; Y620-F643 HydrophobicContact CE1-CE2 3.51Å; Y620-F643 AromaticContact CE1-CZ 3.77Å; Y620-F643 HydrophobicContact CE1-CZ 3.77Å; Y620-F643 AromaticContact CZ-CE2 3.82Å
621	L	89.5	Confident	86.9	Confident	12 Å²	12	43.7 Å²	43.7	6%	0.063	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	126.8	173	-57.7	175.9	0	0	0	110.1	T410 Y411 G412 L414 P461 P462 S611 V612	T410-L621 CarbonylContact C-O 3.55Å; T410-L621 VanDerWaalsContact CA-O 3.28Å; T410-L621 WeakPolarHBondContact CA-O 3.39Å; Y411-L621 HydrophobicContact CD1-CB 4.11Å; Y411-L621 WeakPolarHBondContact CD1-O 3.42Å; Y411-L621 HydrophobicContact CD2-CB 3.98Å; Y411-L621 HydrophobicContact CD2-CD1 4.35Å; Y411-L621 HydrophobicContact CE1-CB 3.73Å; Y411-L621 HydrophobicContact CE2-CB 3.58Å; Y411-L621 HydrophobicContact CE2-CD1 3.77Å; Y411-L621 HydrophobicContact CE2-CG 4.27Å; Y411-L621 HydrophobicContact CG-CB 4.24Å; Y411-L621 VanDerWaalsContact CZ-CB 3.46Å; Y411-L621 PolarHBondContact N-O 3.33Å; G412-L621 PolarHBondContact O-N 3.33Å; L414-L621 HydrophobicContact CD1-CD2 4.03Å; L414-L621 HydrophobicContact CD2-CD1 4.3Å; L414-L621 HydrophobicContact CD2-CD2 4.14Å; L414-L621 HydrophobicContact CD2-CG 4.34Å; L414-L621 HydrophobicContact CG-CD2 3.98Å; L414-L621 HydrophobicContact CG-CG 4.19Å; P461-L621 HydrophobicContact CB-CD2 3.76Å; P462-L621 HydrophobicContact CB-CD1 4.04Å; P462-L621 HydrophobicContact CG-CD1 3.93Å; S611-L621 WeakPolarHBondContact O-CA 3.42Å; V612-L621 HydrophobicContact CG2-CD2 4.06Å
622	V	90.6	Very high	86.6	Confident	1 Å²	1	46.1 Å²	46.1	1%	0.006	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	145.6	-169.4	179.1	0	0	0	0	111.1	G409 T410 G610 S611 R613 L635 F638	G409-V622 WeakPolarHBondContact O-CA 3.38Å; T410-V622 HydrophobicContact CG2-CG2 4.07Å; G610-V622 CarbonylContact C-O 3.58Å; G610-V622 WeakPolarHBondContact CA-O 3.38Å; S611-V622 PolarHBondContact N-O 3.18Å; S611-V622 PolarHBondContact O-N 3.05Å; R613-V622 HydrophobicContact CB-CG2 4Å; R613-V622 HydrophobicContact CG-CB 4.45Å; R613-V622 HydrophobicContact CG-CG2 4Å; V622-L635 HydrophobicContact CB-CD1 4.49Å; V622-F638 HydrophobicContact CG2-CE1 4.19Å; V622-F638 HydrophobicContact CG2-CE2 4.21Å; V622-F638 HydrophobicContact CG2-CZ 3.45Å; V622-F638 VanDerWaalsContact CG2-CZ 3.45Å
623	L	90.1	Very high	86.5	Confident	0 Å²	0	44.5 Å²	44.5	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	126.4	169.9	-69.6	175.9	0	0	0	111.8	L406 G409 Y411 P464 I468 R472 V577 L578 L608	L406-L623 HydrophobicContact CD1-CD1 3.72Å; L406-L623 HydrophobicContact CD1-CG 4.44Å; G409-L623 PolarHBondContact O-N 2.9Å; G409-L623 VanDerWaalsContact O-N 3.1Å; Y411-L623 HydrophobicContact CD1-CD2 4.32Å; Y411-L623 HydrophobicContact CD1-CG 4.11Å; Y411-L623 HydrophobicContact CE1-CD2 4.31Å; Y411-L623 HydrophobicContact CE1-CG 4.47Å; P464-L623 HydrophobicContact CB-CD2 3.72Å; P464-L623 HydrophobicContact CG-CD2 3.56Å; I468-L623 HydrophobicContact CG2-CD1 3.85Å; R472-L623 HydrophobicContact CG-CD1 4.4Å; V577-L623 HydrophobicContact CG2-CB 4.44Å; L578-L623 PolarHBondContact N-O 2.94Å; L608-L623 HydrophobicContact CD1-CB 4.33Å; L608-L623 HydrophobicContact CD2-CD2 4.4Å; L608-L623 HydrophobicContact CG-CD2 4.38Å
624	C	92.9	Very high	86.3	Confident	1 Å²	1	50.5 Å²	50.5	1%	0.007	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	174	177.7	65.9	0	0	0	0	112.5	L578 V609 S611 L635	L578-C624 HydrophobicContact CB-CB 4.19Å; L578-C624 WeakPolarHBondContact O-CA 3.23Å; V609-C624 PolarHBondContact N-O 3.18Å; V609-C624 PolarHBondContact O-N 3.47Å; S611-C624 VanDerWaalsContact CB-SG 3.56Å; C624-L635 HydrophobicContact CB-CD1 4.1Å; C624-L635 HydrophobicContact CB-CD2 4.33Å
625	L	91.7	Very high	86.4	Confident	5 Å²	5	47.8 Å²	47.8	3%	0.026	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	145.6	177.8	-57.5	-177.9	0	0	0	112.3	V476 V577 I579 I601 L602 F607 L608	V476-L625 HydrophobicContact CG1-CD2 3.81Å; V476-L625 HydrophobicContact CG2-CD2 3.88Å; V577-L625 HydrophobicContact CG1-CD2 4.16Å; V577-L625 HydrophobicContact CG1-CG 4.41Å; I579-L625 HydrophobicContact CD1-CD1 3.74Å; I579-L625 HydrophobicContact CD1-CG 4.15Å; I579-L625 HydrophobicContact CG2-CD1 4.05Å; I601-L625 HydrophobicContact CG2-CB 4.3Å; I601-L625 HydrophobicContact CG2-CD1 3.8Å; L602-L625 HydrophobicContact CD2-CD1 3.77Å; L602-L625 HydrophobicContact CG-CD1 4.49Å; F607-L625 WeakPolarHBondContact O-CA 3.37Å; L608-L625 HydrophobicContact CD1-CD2 4.33Å
626	S	89.2	Confident	86.4	Confident	1 Å²	1	46.7 Å²	46.7	1%	0.007	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	145.2	174.1	-179.6	0	0	0	0	110.8	C606 F607 K628 I631	C606-S626 CarbonylContact C-O 3.54Å; C606-S626 VanDerWaalsContact CA-O 3.29Å; C606-S626 WeakPolarHBondContact CA-O 3.48Å; C606-S626 WeakPolarHBondContact CB-O 3.34Å; F607-S626 PolarHBondContact N-O 3.47Å; F607-S626 PolarHBondContact O-N 2.91Å; S626-K628 PolarHBondContact O-N 3.47Å; S626-K628 PolarHBondContact OG-N 3.48Å; S626-K628 PolarHBondContact OG-O 3.19Å; S626-I631 PolarHBondContact OG-O 3.1Å
627	P	85.3	Confident	86.6	Confident	65 Å²	65	41.4 Å²	41.4	42%	0.422	21%	0.214	S	C	.	.	S	Bend	trans	-68.3	-16.9	174.3	30.6	-37.7	0	0	0	112.6	F607 T713	F607-P627 WeakPolarHBondContact CD2-O 3.41Å; F607-P627 WeakPolarHBondContact CE2-O 3.35Å; P627-T713 HydrophobicContact CG-CG2 3.61Å
628	K	81.2	Confident	87.3	Confident	108 Å²	108	36.1 Å²	36.1	47%	0.47	19%	0.189	S	C	.	.	S	Bend	trans	-139.5	137.5	176.4	-57.4	-170.1	-172.3	175.1	0	111	S626 E630 I631	S626-K628 PolarHBondContact O-N 3.47Å; S626-K628 PolarHBondContact OG-N 3.48Å; S626-K628 PolarHBondContact OG-O 3.19Å; K628-E630 HydrophobicContact CB-CG 4.24Å; K628-E630 PolarHBondContact O-N 2.95Å; K628-I631 HydrophobicContact CB-CB 4.39Å; K628-I631 HydrophobicContact CB-CD1 3.88Å; K628-I631 HydrophobicContact CB-CG1 3.96Å; K628-I631 HydrophobicContact CD-CD1 3.72Å; K628-I631 HydrophobicContact CD-CG1 4.31Å; K628-I631 HydrophobicContact CG-CD1 3.93Å; K628-I631 PolarHBondContact O-N 2.83Å
629	A	78.5	Confident	87.7	Confident	64 Å²	64	35.3 Å²	35.3	53%	0.529	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-25.3	179.1	0	0	0	0	0	114.3	F607	F607-A629 HydrophobicContact CB-CB 4.21Å; F607-A629 HydrophobicContact CD1-CB 3.98Å; F607-A629 HydrophobicContact CG-CB 3.98Å
630	E	78	Confident	87.9	Confident	146 Å²	146	34.1 Å²	34.1	68%	0.682	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.5	-14.4	-179.6	67	-171.9	172.2	0	0	114	K628	K628-E630 HydrophobicContact CB-CG 4.24Å; K628-E630 PolarHBondContact O-N 2.95Å
631	I	79.1	Confident	87.8	Confident	58 Å²	58	36.2 Å²	36.2	30%	0.297	19%	0.19	S	C	.	.			trans	-90.6	126.3	-178.5	-65.8	176.6	0	0	0	108.4	S626 K628 P633	S626-I631 PolarHBondContact OG-O 3.1Å; K628-I631 HydrophobicContact CB-CB 4.39Å; K628-I631 HydrophobicContact CB-CD1 3.88Å; K628-I631 HydrophobicContact CB-CG1 3.96Å; K628-I631 HydrophobicContact CD-CD1 3.72Å; K628-I631 HydrophobicContact CD-CG1 4.31Å; K628-I631 HydrophobicContact CG-CD1 3.93Å; K628-I631 PolarHBondContact O-N 2.83Å; I631-P633 VanDerWaalsContact O-CD 3.3Å; I631-P633 WeakPolarHBondContact O-CD 3.43Å
632	V	83.2	Confident	87.7	Confident	54 Å²	54	35.6 Å²	35.6	33%	0.327	19%	0.187	S	C	.	.			trans	-85.2	113.9	168.8	-177.4	0	0	0	0	108.4	M460 P461	M460-V632 HydrophobicContact CE-CG2 4.08Å; M460-V632 HydrophobicContact CG-CG2 4.09Å; P461-V632 HydrophobicContact CG-CG1 3.87Å; P461-V632 HydrophobicContact CG-CG2 4.43Å
633	P	88.3	Confident	87.1	Confident	3 Å²	3	38 Å²	38	2%	0.019	20%	0.198	C	C	.	.			trans	-60.6	142.5	177.9	-28.2	40.3	0	0	0	111.4	V609 S611 I631 L635 T712	V609-P633 HydrophobicContact CG2-CG 3.7Å; S611-P633 PolarHBondContact OG-O 2.78Å; I631-P633 VanDerWaalsContact O-CD 3.3Å; I631-P633 WeakPolarHBondContact O-CD 3.43Å; P633-L635 HydrophobicContact CB-CD2 3.98Å; P633-L635 HydrophobicContact CB-CG 4.36Å; P633-T712 CarbonylContact C-O 3.39Å; P633-T712 VanDerWaalsContact CA-O 3.28Å; P633-T712 WeakPolarHBondContact CA-O 3.45Å; P633-T712 WeakPolarHBondContact CB-O 3.5Å
634	K	87.2	Confident	86.5	Confident	126 Å²	126	42.7 Å²	42.7	55%	0.548	22%	0.22	S	C	.	.	B	Isolated β-bridge	trans	-94.6	94.3	171.3	-173.8	-176.2	176.9	-164.4	0	108.2	T712 G715	K634-T712 CarbonylContact C-O 3.55Å; K634-T712 PolarHBondContact N-O 2.76Å; K634-G715 WeakPolarHBondContact O-CA 3.39Å
635	L	90.6	Very high	85	Confident	15 Å²	15	47.5 Å²	47.5	8%	0.079	25%	0.253	C	S	.	.	P	Polyproline II helix	trans	-83	152.4	-177.2	-58.4	-179.2	0	0	0	111.7	L578 S611 R613 V622 C624 P633 T712	L578-L635 HydrophobicContact CD2-CD1 4.11Å; L578-L635 HydrophobicContact CD2-CD2 4.13Å; S611-L635 WeakPolarHBondContact OG-CG 3.44Å; R613-L635 HydrophobicContact CG-CB 3.55Å; R613-L635 HydrophobicContact CG-CD1 3.55Å; R613-L635 HydrophobicContact CG-CG 4.21Å; V622-L635 HydrophobicContact CB-CD1 4.49Å; C624-L635 HydrophobicContact CB-CD1 4.1Å; C624-L635 HydrophobicContact CB-CD2 4.33Å; P633-L635 HydrophobicContact CB-CD2 3.98Å; P633-L635 HydrophobicContact CB-CG 4.36Å; L635-T712 HydrophobicContact CD2-CG2 3.81Å
636	S	91.6	Very high	83.3	Confident	1 Å²	1	51.8 Å²	51.8	1%	0.007	28%	0.276	C	S	.	.	P	Polyproline II helix	trans	-65	165.6	166.2	68.1	0	0	0	0	110.9	E581 R613	E581-S636 WeakPolarHBondContact OE1-CB 3.45Å; E581-S636 PolarHBondContact OE1-OG 2.89Å; E581-S636 VanDerWaalsContact OE1-OG 3.08Å; E581-S636 VanDerWaalsContact OE2-CB 3.27Å; E581-S636 WeakPolarHBondContact OE2-CB 3.39Å; E581-S636 PolarHBondContact OE2-OG 2.91Å; R613-S636 WeakPolarHBondContact CG-O 3.3Å; R613-S636 PolarHBondContact NE-O 3.34Å; R613-S636 PolarHBondContact NH2-OG 2.91Å
637	P	91.9	Very high	82.1	Confident	7 Å²	7	53.6 Å²	53.6	5%	0.045	28%	0.284	C	S	.	.	P	Polyproline II helix	trans	-60.9	162.1	165.2	26.9	-35	0	0	0	112.4	E535 F538 F539 R613 Q614	E535-P637 HydrophobicContact CB-CB 3.72Å; E535-P637 HydrophobicContact CB-CG 3.83Å; E535-P637 HydrophobicContact CG-CB 3.54Å; E535-P637 HydrophobicContact CG-CG 4.25Å; F538-P637 HydrophobicContact CB-CG 3.93Å; F538-P637 VanDerWaalsContact CG-CD 3.47Å; F538-P637 HydrophobicContact CG-CG 4.28Å; F539-P637 HydrophobicContact CE2-CG 4.04Å; R613-P637 PolarHBondContact NH2-O 3.45Å; Q614-P637 VanDerWaalsContact O-CA 3.29Å; Q614-P637 WeakPolarHBondContact O-CA 3.42Å; Q614-P637 WeakPolarHBondContact O-CB 3.34Å
638	F	94	Very high	80.5	Confident	0 Å²	0	59.8 Å²	59.8	0%	0	31%	0.307	C	S	.	.	P	Polyproline II helix	trans	-63	151.8	172.2	-71.4	-89.1	0	0	0	112	Y408 T410 R613 Q614 W615 Y620 V622 K640 P642	Y408-F638 AromaticContact CD1-CD1 3.93Å; Y408-F638 HydrophobicContact CD1-CD1 3.93Å; Y408-F638 HydrophobicContact CD1-CE1 4.31Å; Y408-F638 AromaticContact CD2-CD1 3.98Å; Y408-F638 HydrophobicContact CD2-CD1 3.98Å; Y408-F638 AromaticContact CD2-CE1 3.88Å; Y408-F638 HydrophobicContact CD2-CE1 3.88Å; Y408-F638 AromaticContact CE1-CD1 3.95Å; Y408-F638 HydrophobicContact CE1-CD1 3.95Å; Y408-F638 AromaticContact CE2-CD1 3.99Å; Y408-F638 HydrophobicContact CE2-CD1 3.99Å; Y408-F638 HydrophobicContact CE2-CE1 4.28Å; Y408-F638 AromaticContact CG-CD1 3.95Å; Y408-F638 HydrophobicContact CG-CD1 3.95Å; Y408-F638 AromaticContact CG-CE1 3.89Å; Y408-F638 HydrophobicContact CG-CE1 3.89Å; Y408-F638 AromaticContact CZ-CD1 3.98Å; T410-F638 HydrophobicContact CG2-CE1 4.01Å; T410-F638 HydrophobicContact CG2-CE2 4.42Å; T410-F638 HydrophobicContact CG2-CZ 3.46Å; T410-F638 VanDerWaalsContact CG2-CZ 3.46Å; R613-F638 HydrophobicContact CB-CD2 3.68Å; R613-F638 HydrophobicContact CB-CE2 3.35Å; R613-F638 HydrophobicContact CB-CG 4.43Å; R613-F638 HydrophobicContact CB-CZ 3.85Å; R613-F638 HydrophobicContact CG-CE2 4.42Å; Q614-F638 PolarHBondContact O-N 3.27Å; W615-F638 HydrophobicContact CB-CB 4.35Å; W615-F638 HydrophobicContact CB-CD2 3.87Å; W615-F638 HydrophobicContact CD2-CB 4.33Å; W615-F638 HydrophobicContact CE3-CB 3.71Å; W615-F638 HydrophobicContact CZ3-CB 4.39Å; W615-F638 WeakPolarHBondContact CZ3-O 3.45Å; Y620-F638 AromaticContact CD2-CE2 3.93Å; Y620-F638 HydrophobicContact CD2-CE2 3.93Å; Y620-F638 HydrophobicContact CG-CE2 4.17Å; V622-F638 HydrophobicContact CG2-CE1 4.19Å; V622-F638 HydrophobicContact CG2-CE2 4.21Å; V622-F638 HydrophobicContact CG2-CZ 3.45Å; V622-F638 VanDerWaalsContact CG2-CZ 3.45Å; F638-K640 VanDerWaalsContact CB-O 3.32Å; F638-K640 WeakPolarHBondContact CB-O 3.46Å; F638-P642 HydrophobicContact CD1-CB 4.34Å; F638-P642 HydrophobicContact CE1-CB 4.07Å; F638-P642 HydrophobicContact CE2-CB 4.47Å; F638-P642 HydrophobicContact CE2-CG 4.42Å; F638-P642 HydrophobicContact CZ-CB 4.13Å
639	L	93	Very high	78.8	Confident	2 Å²	2	63 Å²	63	1%	0.01	32%	0.321	C	S	.	.	S	Bend	trans	-85.7	-23.7	176.3	-59.6	-170.9	0	0	0	113.4	T526 F539 A569 D571	T526-L639 WeakPolarHBondContact CB-O 3.44Å; T526-L639 HydrophobicContact CG2-CB 3.68Å; T526-L639 HydrophobicContact CG2-CD1 4.38Å; T526-L639 HydrophobicContact CG2-CD2 3.86Å; T526-L639 HydrophobicContact CG2-CG 4.16Å; T526-L639 PolarHBondContact OG1-O 2.86Å; F539-L639 HydrophobicContact CZ-CD2 4.43Å; A569-L639 HydrophobicContact CB-CD1 3.85Å; A569-L639 HydrophobicContact CB-CD2 3.73Å; A569-L639 HydrophobicContact CB-CG 4.45Å; D571-L639 HydrophobicContact CB-CD1 3.83Å; D571-L639 HydrophobicContact CB-CG 4.45Å; D571-L639 VanDerWaalsContact N-CD1 3.33Å
640	K	90.3	Very high	77.5	Confident	32 Å²	32	61.6 Å²	61.6	14%	0.139	31%	0.305	C	S	.	.	S	Bend	trans	-144.1	170.6	177.3	-65.5	-169.8	-172.1	175.9	0	109.6	Y408 V524 F525 W615 F638 P642 F647 D650	Y408-K640 HydrophobicContact CE1-CB 4.41Å; V524-K640 HydrophobicContact CG1-CB 4.33Å; V524-K640 HydrophobicContact CG1-CD 3.75Å; V524-K640 HydrophobicContact CG1-CG 3.86Å; F525-K640 WeakPolarHBondContact O-CE 3.47Å; W615-K640 VanDerWaalsContact CH2-C 3.42Å; F638-K640 VanDerWaalsContact CB-O 3.32Å; F638-K640 WeakPolarHBondContact CB-O 3.46Å; K640-P642 WeakPolarHBondContact O-CD 3.41Å; K640-F647 HydrophobicContact CB-CE1 4.3Å; K640-F647 HydrophobicContact CD-CD1 4.2Å; K640-D650 IonicContact NZ-OD1 2.81Å; K640-D650 PolarHBondContact NZ-OD1 3.05Å
641	D	88	Confident	76.2	Confident	59 Å²	59	58.3 Å²	58.3	32%	0.316	30%	0.298	S	S	.	.			trans	-60.2	123.4	175.5	-177.1	-18.3	0	0	0	110	W615 F643 E644	W615-D641 VanDerWaalsContact CE2-CA 3.47Å; W615-D641 HydrophobicContact CZ2-CB 3.91Å; W615-D641 VanDerWaalsContact CZ2-N 3.26Å; D641-F643 PolarHBondContact O-N 2.85Å; D641-F643 WeakPolarHBondContact OD1-CD2 3.48Å; D641-F643 PolarHBondContact OD1-N 2.65Å; D641-E644 HydrophobicContact CB-CB 4.32Å; D641-E644 WeakPolarHBondContact O-CB 3.34Å; D641-E644 PolarHBondContact O-N 3.41Å; D641-E644 VanDerWaalsContact O-N 3.1Å
642	P	86	Confident	75	Confident	0 Å²	0	64.5 Å²	64.5	0%	0	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60	-14.1	178.9	23.6	-33.6	0	0	0	114.6	K407 T410 Y620 F638 K640	K407-P642 WeakPolarHBondContact CB-O 3.41Å; T410-P642 HydrophobicContact CG2-CB 3.94Å; Y620-P642 HydrophobicContact CD2-CG 4.37Å; Y620-P642 HydrophobicContact CE1-CG 4.4Å; Y620-P642 HydrophobicContact CE2-CG 4.15Å; F638-P642 HydrophobicContact CD1-CB 4.34Å; F638-P642 HydrophobicContact CE1-CB 4.07Å; F638-P642 HydrophobicContact CE2-CB 4.47Å; F638-P642 HydrophobicContact CE2-CG 4.42Å; F638-P642 HydrophobicContact CZ-CB 4.13Å; K640-P642 WeakPolarHBondContact O-CD 3.41Å
643	F	79.8	Confident	73.7	Confident	52 Å²	52	63 Å²	63	23%	0.228	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.3	0.3	178.5	-59.3	-86.4	0	0	0	114.5	E113 M114 K407 Y620 D641 S645	E113-F643 HydrophobicContact CB-CD1 4.25Å; E113-F643 HydrophobicContact CB-CE1 3.73Å; E113-F643 WeakPolarHBondContact O-CD1 3.22Å; E113-F643 WeakPolarHBondContact O-CE1 3.41Å; M114-F643 HydrophobicContact CE-CD1 3.94Å; M114-F643 HydrophobicContact CE-CE1 3.27Å; M114-F643 HydrophobicContact CE-CE2 4.09Å; M114-F643 HydrophobicContact CE-CZ 3.37Å; M114-F643 HydrophobicContact CG-CE1 3.97Å; M114-F643 HydrophobicContact CG-CZ 4.1Å; M114-F643 HydrophobicContact SD-CE1 3.52Å; M114-F643 VanDerWaalsContact SD-CE1 3.52Å; M114-F643 HydrophobicContact SD-CE2 4.16Å; M114-F643 HydrophobicContact SD-CZ 3.2Å; M114-F643 WeakPolarHBondContact SD-CZ 3.31Å; K407-F643 HydrophobicContact CD-CD1 4.16Å; Y620-F643 AromaticContact CE1-CE2 3.51Å; Y620-F643 HydrophobicContact CE1-CE2 3.51Å; Y620-F643 AromaticContact CE1-CZ 3.77Å; Y620-F643 HydrophobicContact CE1-CZ 3.77Å; Y620-F643 AromaticContact CZ-CE2 3.82Å; D641-F643 PolarHBondContact O-N 2.85Å; D641-F643 WeakPolarHBondContact OD1-CD2 3.48Å; D641-F643 PolarHBondContact OD1-N 2.65Å; F643-S645 PolarHBondContact O-N 2.62Å
644	E	77.2	Confident	71.7	Confident	97 Å²	97	71.9 Å²	71.9	45%	0.453	36%	0.356	S	S	.	.			trans	-64.5	127.1	176.6	-162.1	170.3	-165.2	0	0	110.1	D641 F647	D641-E644 HydrophobicContact CB-CB 4.32Å; D641-E644 WeakPolarHBondContact O-CB 3.34Å; D641-E644 PolarHBondContact O-N 3.41Å; D641-E644 VanDerWaalsContact O-N 3.1Å; E644-F647 HydrophobicContact CB-CE1 4.35Å; E644-F647 WeakPolarHBondContact O-CZ 3.33Å
645	S	61.9	Low	69.9	Low	102 Å²	102	68 Å²	68	71%	0.713	35%	0.353	S	S	*	.	S	Bend	trans	-80.6	-16.1	-171	66.5	0	0	0	0	114.1	F643	F643-S645 PolarHBondContact O-N 2.62Å
646	N	55.7	Low	67.9	Low	95 Å²	95	70.1 Å²	70.1	51%	0.508	36%	0.364	S	S	.	.			trans	-129	77.2	-167.2	-60.5	-22.9	0	0	0	111.2	E648	N646-E648 PolarHBondContact O-N 2.96Å
647	F	62.3	Low	65.7	Low	40 Å²	40	79.5 Å²	79.5	18%	0.175	41%	0.408	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-22.1	169	-57.1	-65.1	0	0	0	112.4	Y408 V524 K640 E644 K649	Y408-F647 AromaticContact CD1-CE1 3.67Å; Y408-F647 HydrophobicContact CD1-CE1 3.67Å; Y408-F647 HydrophobicContact CD1-CE2 4.39Å; Y408-F647 AromaticContact CD1-CZ 3.46Å; Y408-F647 HydrophobicContact CD1-CZ 3.46Å; Y408-F647 VanDerWaalsContact CD1-CZ 3.46Å; Y408-F647 AromaticContact CE1-CE1 3.9Å; Y408-F647 HydrophobicContact CE1-CE1 3.9Å; Y408-F647 HydrophobicContact CE1-CZ 4.15Å; Y408-F647 HydrophobicContact CG-CZ 4.07Å; V524-F647 HydrophobicContact CG1-CD1 4.16Å; V524-F647 HydrophobicContact CG2-CB 4.38Å; V524-F647 HydrophobicContact CG2-CD1 4.09Å; V524-F647 HydrophobicContact CG2-CG 4.19Å; K640-F647 HydrophobicContact CB-CE1 4.3Å; K640-F647 HydrophobicContact CD-CD1 4.2Å; E644-F647 HydrophobicContact CB-CE1 4.35Å; E644-F647 WeakPolarHBondContact O-CZ 3.33Å; F647-K649 PolarHBondContact O-N 3.04Å
648	E	51.8	Low	63.4	Low	194 Å²	194	83.7 Å²	83.7	91%	0.907	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.3	-26	-174.4	-68.4	-177.4	159.6	0	0	114.6	N646 D650	N646-E648 PolarHBondContact O-N 2.96Å; E648-D650 PolarHBondContact O-N 3.39Å; E648-D650 VanDerWaalsContact O-N 3.13Å
649	K	45.7	Very low	61.3	Low	175 Å²	175	86.9 Å²	86.9	76%	0.761	45%	0.453	S	S	*	.			trans	-88.7	61.8	174.5	-75.5	-175.2	178.1	178.3	0	109.6	F647 S651	F647-K649 PolarHBondContact O-N 3.04Å; K649-S651 PolarHBondContact O-N 3.49Å; K649-S651 VanDerWaalsContact O-N 3.09Å
650	D	52.8	Low	59.4	Low	35 Å²	35	91.2 Å²	91.2	19%	0.187	48%	0.48	C	S	.	.			trans	-58.7	119.5	165	-78.5	-31.8	0	0	0	108.1	F525 K587 K640 E648 E652	F525-D650 WeakPolarHBondContact CD2-OD2 3.2Å; K587-D650 WeakPolarHBondContact CE-OD2 3.36Å; K587-D650 IonicContact NZ-OD2 2.68Å; K587-D650 PolarHBondContact NZ-OD2 2.96Å; K640-D650 IonicContact NZ-OD1 2.81Å; K640-D650 PolarHBondContact NZ-OD1 3.05Å; E648-D650 PolarHBondContact O-N 3.39Å; E648-D650 VanDerWaalsContact O-N 3.13Å; D650-E652 PolarHBondContact O-N 3.27Å
651	S	49.4	Very low	57.8	Low	77 Å²	77	93.3 Å²	93.3	54%	0.538	50%	0.495	S	S	.	.			trans	-46.6	126.4	166.2	49	0	0	0	0	108.4	K649 F653	K649-S651 PolarHBondContact O-N 3.49Å; K649-S651 VanDerWaalsContact O-N 3.09Å; S651-F653 PolarHBondContact O-N 3.14Å
652	E	54.2	Low	56.3	Low	189 Å²	189	92.2 Å²	92.2	88%	0.883	49%	0.491	S	S	*	.			trans	-51.9	108.2	166.4	-72.7	173.5	177.7	0	0	106.9	D650 E654	D650-E652 PolarHBondContact O-N 3.27Å; E652-E654 PolarHBondContact O-N 2.83Å
653	F	56.6	Low	55.2	Low	21 Å²	21	99.2 Å²	99.2	9%	0.092	52%	0.522	C	S	.	.			trans	-69.5	107.6	171.7	-67.6	-73	0	0	0	105.4	F525 K527 K587 S651 G655 D656	F525-F653 HydrophobicContact CB-CE2 3.79Å; F525-F653 HydrophobicContact CB-CZ 4.14Å; K527-F653 HydrophobicContact CD-CD1 4.03Å; K527-F653 HydrophobicContact CD-CE1 4.17Å; K527-F653 HydrophobicContact CG-CD1 4.09Å; K527-F653 HydrophobicContact CG-CE1 3.84Å; K587-F653 HydrophobicContact CB-CD2 4.5Å; K587-F653 HydrophobicContact CD-CD2 4.09Å; K587-F653 HydrophobicContact CD-CE2 4.37Å; K587-F653 HydrophobicContact CG-CD2 4.42Å; S651-F653 PolarHBondContact O-N 3.14Å; F653-G655 PolarHBondContact O-N 3.29Å; F653-D656 PolarHBondContact O-N 3.48Å
654	E	46.4	Very low	54.7	Low	190 Å²	190	101.9 Å²	101.9	89%	0.888	54%	0.542	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51	114.7	170.2	-76.1	-172.3	159.7	0	0	108.1	E652	E652-E654 PolarHBondContact O-N 2.83Å
655	G	49.4	Very low	54.7	Low	46 Å²	46	99 Å²	99	47%	0.474	53%	0.532	S	S	.	.	T	Hydrogen-bonded Turn	trans	127.7	-6.9	178.3	0	0	0	0	0	117.2	F653 E657 S658	F653-G655 PolarHBondContact O-N 3.29Å; G655-E657 PolarHBondContact O-N 2.88Å; G655-S658 PolarHBondContact O-N 3.41Å; G655-S658 PolarHBondContact O-OG 3.35Å
656	D	47.1	Very low	55.6	Low	58 Å²	58	97 Å²	97	31%	0.31	51%	0.51	S	S	.	.	G	3₁₀ helix	trans	-60.5	-16.4	176.1	-92.2	-16.4	0	0	0	113.2	K587 F653 S658 I659	K587-D656 WeakPolarHBondContact CB-OD1 3.45Å; F653-D656 PolarHBondContact O-N 3.48Å; D656-S658 PolarHBondContact O-N 2.85Å; D656-I659 WeakPolarHBondContact O-CD1 3.32Å; D656-I659 WeakPolarHBondContact O-CG1 3.29Å
657	E	45.3	Very low	56.9	Low	199 Å²	199	94.8 Å²	94.8	93%	0.93	50%	0.501	S	S	*	.	G	3₁₀ helix	trans	-66	-14.6	173.3	-64.1	-170.9	164.4	0	0	113.9	G655 I659	G655-E657 PolarHBondContact O-N 2.88Å; E657-I659 VanDerWaalsContact C-N 3.34Å; E657-I659 PolarHBondContact O-N 2.9Å
658	S	45.5	Very low	57.8	Low	94 Å²	94	94.4 Å²	94.4	66%	0.657	50%	0.5	S	S	*	.	G	3₁₀ helix	trans	-91.3	14.4	-177.2	66.9	0	0	0	0	114.6	G655 D656 T660	G655-S658 PolarHBondContact O-N 3.41Å; G655-S658 PolarHBondContact O-OG 3.35Å; D656-S658 PolarHBondContact O-N 2.85Å; S658-T660 VanDerWaalsContact C-N 3.33Å; S658-T660 PolarHBondContact O-N 3.05Å
659	I	49.7	Very low	59.4	Low	68 Å²	68	86.7 Å²	86.7	35%	0.349	46%	0.464	S	S	.	.			trans	-65	100.3	168.8	-55.2	156.6	0	0	0	106.6	S588 D656 E657 T661	S588-I659 WeakPolarHBondContact OG-CD1 3.21Å; S588-I659 WeakPolarHBondContact OG-CG1 3.4Å; D656-I659 WeakPolarHBondContact O-CD1 3.32Å; D656-I659 WeakPolarHBondContact O-CG1 3.29Å; E657-I659 VanDerWaalsContact C-N 3.34Å; E657-I659 PolarHBondContact O-N 2.9Å; I659-T661 HydrophobicContact CB-CG2 4.39Å; I659-T661 HydrophobicContact CG2-CG2 3.76Å; I659-T661 PolarHBondContact O-N 3.48Å
660	T	53.1	Low	61.4	Low	93 Å²	93	80.5 Å²	80.5	57%	0.571	44%	0.44	S	S	*	.			trans	-64.8	87.4	162.4	48.2	0	0	0	0	106.7	S658 V662	S658-T660 VanDerWaalsContact C-N 3.33Å; S658-T660 PolarHBondContact O-N 3.05Å; T660-V662 PolarHBondContact O-N 3.23Å
661	T	56.3	Low	63.2	Low	75 Å²	75	78.8 Å²	78.8	46%	0.46	43%	0.431	S	S	.	.			trans	-64.9	108.4	176.3	47.8	0	0	0	0	107.5	I659 F663	I659-T661 HydrophobicContact CB-CG2 4.39Å; I659-T661 HydrophobicContact CG2-CG2 3.76Å; I659-T661 PolarHBondContact O-N 3.48Å; T661-F663 VanDerWaalsContact O-CD2 3.23Å; T661-F663 WeakPolarHBondContact O-CD2 3.41Å; T661-F663 WeakPolarHBondContact O-CE2 3.42Å; T661-F663 PolarHBondContact O-N 2.78Å; T661-F663 VanDerWaalsContact O-N 3.15Å; T661-F663 WeakPolarHBondContact OG1-CE2 3.37Å; T661-F663 WeakPolarHBondContact OG1-CZ 3.46Å
662	V	57.2	Low	65.4	Low	37 Å²	37	75.4 Å²	75.4	22%	0.224	41%	0.406	C	S	.	.			trans	-75.9	101.7	174.5	-178.2	0	0	0	0	107.4	T660 P665 L703 D724	T660-V662 PolarHBondContact O-N 3.23Å; V662-P665 HydrophobicContact CG1-CB 4.07Å; V662-L703 HydrophobicContact CG2-CD2 4.31Å; V662-D724 HydrophobicContact CG1-CB 4.03Å
663	F	61.4	Low	67.3	Low	147 Å²	147	66.4 Å²	66.4	65%	0.645	36%	0.364	S	S	*	.	S	Bend	trans	-75.5	-37.1	179.9	-66.4	-78.3	0	0	0	112.5	T661	T661-F663 VanDerWaalsContact O-CD2 3.23Å; T661-F663 WeakPolarHBondContact O-CD2 3.41Å; T661-F663 WeakPolarHBondContact O-CE2 3.42Å; T661-F663 PolarHBondContact O-N 2.78Å; T661-F663 VanDerWaalsContact O-N 3.15Å; T661-F663 WeakPolarHBondContact OG1-CE2 3.37Å; T661-F663 WeakPolarHBondContact OG1-CZ 3.46Å
664	T	69.8	Low	69	Low	108 Å²	108	65.4 Å²	65.4	66%	0.663	36%	0.36	S	S	*	.	S	Bend	trans	-128.7	88.8	-177.2	-43.7	0	0	0	0	108.5	K666	T664-K666 PolarHBondContact O-N 3.16Å
665	P	76.3	Confident	71	Confident	36 Å²	36	56.4 Å²	56.4	23%	0.234	32%	0.318	C	S	.	.	P	Polyproline II helix	trans	-66.6	127.8	-178	28.5	-34.7	0	0	0	109.7	V662 D724 Q726	V662-P665 HydrophobicContact CG1-CB 4.07Å; P665-D724 HydrophobicContact CB-CB 4.02Å; P665-D724 WeakPolarHBondContact CB-O 3.33Å; P665-Q726 HydrophobicContact CB-CG 4.22Å
666	K	82.2	Confident	72.4	Confident	59 Å²	59	54.2 Å²	54.2	26%	0.257	30%	0.295	S	S	.	.	P	Polyproline II helix	trans	-78.5	148.7	177.2	-67.1	169.8	-174.2	166	0	109.5	T664 D670 Q701 M702 D724	T664-K666 PolarHBondContact O-N 3.16Å; K666-D670 HydrophobicContact CB-CB 4.48Å; K666-Q701 PolarHBondContact NZ-O 3.19Å; K666-M702 HydrophobicContact CB-CE 3.88Å; K666-M702 HydrophobicContact CB-SD 4.49Å; K666-M702 HydrophobicContact CD-CG 4.03Å; K666-D724 WeakPolarHBondContact CB-OD2 3.37Å; K666-D724 PolarHBondContact N-OD2 3.24Å
667	P	81.9	Confident	73.6	Confident	50 Å²	50	56.8 Å²	56.8	33%	0.325	30%	0.3	S	S	.	.	P	Polyproline II helix	trans	-60.9	144.5	174.1	26.5	-33.3	0	0	0	110.2	D669 D670	P667-D669 PolarHBondContact O-N 3.21Å; P667-D670 WeakPolarHBondContact CD-OD2 3.32Å; P667-D670 WeakPolarHBondContact CG-OD2 3.29Å; P667-D670 WeakPolarHBondContact O-CB 3.44Å; P667-D670 PolarHBondContact O-N 3.35Å
668	F	82.6	Confident	75.2	Confident	31 Å²	31	48.1 Å²	48.1	14%	0.136	26%	0.26	C	S	.	.	G	3₁₀ helix	trans	-50.7	-31.3	178.1	171.8	-92.4	0	0	0	113.7	D670 M671 I723 L747 K750 L751	F668-D670 PolarHBondContact O-N 3.16Å; F668-M671 VanDerWaalsContact O-CB 3.24Å; F668-M671 WeakPolarHBondContact O-CB 3.07Å; F668-M671 PolarHBondContact O-N 3.36Å; F668-M671 VanDerWaalsContact O-N 3.12Å; F668-I723 HydrophobicContact CD2-CB 4.49Å; F668-I723 HydrophobicContact CD2-CD1 3.34Å; F668-I723 HydrophobicContact CD2-CG1 4.47Å; F668-I723 HydrophobicContact CE2-CD1 3.33Å; F668-L747 HydrophobicContact CE2-CD1 4.16Å; F668-K750 HydrophobicContact CZ-CD 4.18Å; F668-K750 HydrophobicContact CZ-CG 4.28Å; F668-L751 HydrophobicContact CD2-CD2 4.41Å; F668-L751 HydrophobicContact CE1-CD2 4.05Å; F668-L751 HydrophobicContact CE2-CD2 3.46Å; F668-L751 VanDerWaalsContact CE2-CD2 3.46Å; F668-L751 HydrophobicContact CE2-CG 4.2Å; F668-L751 HydrophobicContact CZ-CD2 3.24Å; F668-L751 HydrophobicContact CZ-CG 3.94Å
669	D	84.7	Confident	76.8	Confident	32 Å²	32	46.5 Å²	46.5	17%	0.171	25%	0.248	C	C	.	.	G	3₁₀ helix	trans	-66.9	-10.6	178.4	-66.5	-21.9	0	0	0	114.7	P667 M671 Q755 T933 A936 R939	P667-D669 PolarHBondContact O-N 3.21Å; D669-M671 VanDerWaalsContact C-N 3.31Å; D669-Q755 PolarHBondContact O-OE1 2.64Å; D669-Q755 VanDerWaalsContact O-OE1 3.09Å; D669-T933 WeakPolarHBondContact OD2-CG2 3.28Å; D669-T933 PolarHBondContact OD2-OG1 3.2Å; D669-A936 HydrophobicContact CB-CB 3.63Å; D669-R939 IonicContact OD2-NH2 3.02Å
670	D	87.3	Confident	78.3	Confident	45 Å²	45	46.7 Å²	46.7	24%	0.241	25%	0.246	C	C	.	.	G	3₁₀ helix	trans	-85.3	-10	174.7	-70.2	-11	0	0	0	112.5	K666 P667 F668 W672 M702 K912 R939	K666-D670 HydrophobicContact CB-CB 4.48Å; P667-D670 WeakPolarHBondContact CD-OD2 3.32Å; P667-D670 WeakPolarHBondContact CG-OD2 3.29Å; P667-D670 WeakPolarHBondContact O-CB 3.44Å; P667-D670 PolarHBondContact O-N 3.35Å; F668-D670 PolarHBondContact O-N 3.16Å; D670-W672 PolarHBondContact O-N 3.49Å; D670-M702 HydrophobicContact CB-SD 4.3Å; D670-K912 PolarHBondContact O-NZ 3.49Å; D670-R939 IonicContact OD1-CZ 2.8Å; D670-R939 IonicContact OD1-NH1 3.93Å; D670-R939 PolarHBondContact OD1-NH1 3.35Å; D670-R939 IonicContact OD2-NH1 3.77Å; D670-R939 PolarHBondContact OD2-NH1 3.25Å
671	M	91.6	Very high	79.8	Confident	0 Å²	0	49 Å²	49	0%	0	25%	0.25	C	S	.	.			trans	-74.4	111.9	178	-173	69.8	-178.6	0	0	110.4	F668 D669 A697 M702 I704 L751 Q755	F668-M671 VanDerWaalsContact O-CB 3.24Å; F668-M671 WeakPolarHBondContact O-CB 3.07Å; F668-M671 PolarHBondContact O-N 3.36Å; F668-M671 VanDerWaalsContact O-N 3.12Å; D669-M671 VanDerWaalsContact C-N 3.31Å; M671-A697 HydrophobicContact CE-CB 4.04Å; M671-A697 VanDerWaalsContact CE-N 3.26Å; M671-M702 HydrophobicContact CB-CE 4.36Å; M671-M702 HydrophobicContact CB-SD 3.77Å; M671-M702 HydrophobicContact CG-SD 4.45Å; M671-M702 HydrophobicContact SD-CB 4.11Å; M671-M702 HydrophobicContact SD-SD 3.88Å; M671-I704 HydrophobicContact CE-CD1 3.62Å; M671-I704 HydrophobicContact CE-CG1 4.24Å; M671-L751 HydrophobicContact CB-CD2 4.15Å; M671-L751 HydrophobicContact CG-CD1 4.5Å; M671-L751 HydrophobicContact CG-CD2 3.87Å; M671-Q755 VanDerWaalsContact O-CB 3.25Å; M671-Q755 WeakPolarHBondContact O-CB 3.37Å; M671-Q755 VanDerWaalsContact O-CD 3.27Å; M671-Q755 WeakPolarHBondContact O-CG 3.29Å; M671-Q755 PolarHBondContact O-OE1 2.98Å
672	W	94.1	Very high	81	Confident	5 Å²	5	48.6 Å²	48.6	2%	0.019	24%	0.242	C	C	.	.			trans	-101.8	140.5	176.1	-74.7	30.1	0	0	0	110.3	D670 S696 F699 S700 P756 V758 K912 L915 Y916 L926 L940	D670-W672 PolarHBondContact O-N 3.49Å; W672-S696 WeakPolarHBondContact O-CB 3.39Å; W672-F699 HydrophobicContact CB-CD1 4.18Å; W672-F699 HydrophobicContact CB-CE1 4Å; W672-F699 HydrophobicContact CE3-CE1 4.32Å; W672-S700 PolarHBondContact N-OG 3.11Å; W672-S700 PolarHBondContact O-OG 2.99Å; W672-P756 HydrophobicContact CD2-CB 3.91Å; W672-P756 HydrophobicContact CD2-CG 3.92Å; W672-P756 HydrophobicContact CE3-CB 3.98Å; W672-P756 HydrophobicContact CE3-CG 4.41Å; W672-P756 HydrophobicContact CG-CB 4.46Å; W672-P756 HydrophobicContact CG-CG 4.35Å; W672-P756 HydrophobicContact CH2-CB 4.23Å; W672-P756 HydrophobicContact CH2-CG 4.24Å; W672-P756 HydrophobicContact CZ2-CB 4.18Å; W672-P756 HydrophobicContact CZ2-CG 3.73Å; W672-P756 HydrophobicContact CZ3-CB 4.13Å; W672-V758 HydrophobicContact CE3-CG2 3.46Å; W672-V758 VanDerWaalsContact CE3-CG2 3.46Å; W672-V758 HydrophobicContact CZ3-CG2 3.79Å; W672-K912 HydrophobicContact CD2-CD 3.94Å; W672-K912 HydrophobicContact CD2-CG 3.88Å; W672-K912 HydrophobicContact CE3-CG 3.97Å; W672-K912 HydrophobicContact CG-CD 4.23Å; W672-K912 HydrophobicContact CH2-CB 3.74Å; W672-K912 HydrophobicContact CH2-CG 3.97Å; W672-K912 WeakPolarHBondContact CH2-O 3.45Å; W672-K912 HydrophobicContact CZ2-CB 3.68Å; W672-K912 HydrophobicContact CZ2-CD 4.13Å; W672-K912 HydrophobicContact CZ2-CG 3.84Å; W672-K912 HydrophobicContact CZ3-CB 4.22Å; W672-K912 HydrophobicContact CZ3-CG 4.02Å; W672-L915 HydrophobicContact CZ3-CB 4.28Å; W672-Y916 HydrophobicContact CH2-CD2 4.39Å; W672-L926 HydrophobicContact CH2-CD1 4.49Å; W672-L926 HydrophobicContact CZ3-CD1 3.91Å; W672-L940 HydrophobicContact CZ2-CD1 4.24Å; W672-L940 HydrophobicContact CZ2-CD2 4.48Å
673	I	94.6	Very high	82.3	Confident	1 Å²	1	47.1 Å²	47.1	1%	0.005	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	129	176.7	-62.5	167.2	0	0	0	108.7	L675 L683 I692 S696 L748 L751 C752 Q755 P756 V757 V758	I673-L675 HydrophobicContact CG2-CD2 4.46Å; I673-L683 HydrophobicContact CG2-CD2 3.76Å; I673-I692 HydrophobicContact CG2-CG2 4.06Å; I673-S696 WeakPolarHBondContact CA-OG 3.44Å; I673-L748 HydrophobicContact CD1-CD1 4.22Å; I673-L748 HydrophobicContact CG1-CD1 4.47Å; I673-L751 HydrophobicContact CD1-CB 3.87Å; I673-L751 HydrophobicContact CG1-CB 4.12Å; I673-C752 HydrophobicContact CD1-CB 4.34Å; I673-Q755 HydrophobicContact CG1-CB 4.48Å; I673-P756 PolarHBondContact N-O 2.64Å; I673-V757 HydrophobicContact CB-CG1 4.45Å; I673-V757 HydrophobicContact CB-CG2 4.16Å; I673-V757 HydrophobicContact CD1-CG2 4.13Å; I673-V757 HydrophobicContact CG2-CG1 4.22Å; I673-V757 CarbonylContact O-C 3.58Å; I673-V757 WeakPolarHBondContact O-CA 3.26Å; I673-V758 PolarHBondContact O-N 3.42Å
674	Y	92	Very high	83.3	Confident	0 Å²	0	48 Å²	48	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	126.7	-180	179.8	-115.7	0	0	0	111.8	A676 Q695 S696 F699 V758 L760 W777 F924	Y674-A676 HydrophobicContact CD1-CB 4.33Å; Y674-A676 HydrophobicContact CE1-CB 3.58Å; Y674-Q695 HydrophobicContact CD1-CB 4.07Å; Y674-S696 PolarHBondContact N-OG 3.11Å; Y674-F699 HydrophobicContact CD1-CB 4.08Å; Y674-F699 HydrophobicContact CD2-CD2 4.01Å; Y674-F699 HydrophobicContact CD2-CE2 4.4Å; Y674-F699 HydrophobicContact CD2-CG 4.2Å; Y674-F699 HydrophobicContact CE2-CD2 4.41Å; Y674-F699 HydrophobicContact CG-CB 3.88Å; Y674-F699 HydrophobicContact CG-CD2 4.14Å; Y674-F699 AromaticContact CG-CG 3.95Å; Y674-F699 HydrophobicContact CG-CG 3.95Å; Y674-V758 WeakPolarHBondContact CA-O 3.03Å; Y674-V758 HydrophobicContact CD2-CB 4.27Å; Y674-V758 HydrophobicContact CD2-CG1 4.14Å; Y674-V758 HydrophobicContact CE2-CG1 4.46Å; Y674-L760 HydrophobicContact CE2-CD2 4.18Å; Y674-L760 HydrophobicContact CE2-CG 4.24Å; Y674-L760 WeakPolarHBondContact OH-CD1 3.38Å; Y674-L760 VanDerWaalsContact OH-CD2 3.25Å; Y674-L760 WeakPolarHBondContact OH-CD2 3.47Å; Y674-L760 VanDerWaalsContact OH-CG 3.28Å; Y674-L760 WeakPolarHBondContact OH-CG 3.06Å; Y674-W777 HydrophobicContact CE1-CB 3.63Å; Y674-W777 HydrophobicContact CE1-CG 4.25Å; Y674-W777 PolarHBondContact OH-O 3.19Å; Y674-W777 VanDerWaalsContact OH-O 3.06Å; Y674-F924 AromaticContact CE2-CD1 3.95Å; Y674-F924 HydrophobicContact CE2-CD1 3.95Å; Y674-F924 AromaticContact CE2-CE1 3.71Å; Y674-F924 HydrophobicContact CE2-CE1 3.71Å
675	L	88.7	Confident	84	Confident	1 Å²	1	45.2 Å²	45.2	1%	0.005	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	87.5	-178.3	-64	-179.4	0	0	0	110.9	I673 R677 L678 L683 I692 V757 V758 I927	I673-L675 HydrophobicContact CG2-CD2 4.46Å; L675-R677 PolarHBondContact O-N 3.2Å; L675-R677 VanDerWaalsContact O-N 3.14Å; L675-L678 HydrophobicContact CB-CB 4.46Å; L675-L683 HydrophobicContact CD1-CD1 4.2Å; L675-L683 HydrophobicContact CD1-CD2 4.06Å; L675-L683 HydrophobicContact CD1-CG 3.92Å; L675-L683 HydrophobicContact CD2-CD2 3.73Å; L675-L683 HydrophobicContact CD2-CG 4.26Å; L675-L683 HydrophobicContact CG-CD2 4.26Å; L675-I692 HydrophobicContact CD2-CD1 3.96Å; L675-I692 HydrophobicContact CD2-CG1 3.89Å; L675-I692 HydrophobicContact CD2-CG2 4.09Å; L675-V757 HydrophobicContact CD1-CG1 3.78Å; L675-V757 HydrophobicContact CG-CG1 4.15Å; L675-V758 PolarHBondContact N-O 3.33Å; L675-I927 HydrophobicContact CD1-CD1 3.98Å
676	A	78.2	Confident	84.3	Confident	0 Å²	0	50.3 Å²	50.3	0%	0	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.2	103.7	177.3	0	0	0	0	0	111.3	Y674 L678 R691 W777	Y674-A676 HydrophobicContact CD1-CB 4.33Å; Y674-A676 HydrophobicContact CE1-CB 3.58Å; A676-L678 PolarHBondContact O-N 2.99Å; A676-R691 PolarHBondContact O-NH2 2.68Å; A676-R691 VanDerWaalsContact O-NH2 3.1Å; A676-W777 WeakPolarHBondContact CB-O 3.49Å
677	R	73.6	Confident	84.4	Confident	111 Å²	111	53 Å²	53	42%	0.419	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.9	24.9	178.5	-48	179.8	-174	-177.4	-0.7	113.6	L675 L760 F762 G778	L675-R677 PolarHBondContact O-N 3.2Å; L675-R677 VanDerWaalsContact O-N 3.14Å; R677-L760 HydrophobicContact CG-CD1 4.2Å; R677-F762 HydrophobicContact CB-CE1 4.17Å; R677-F762 HydrophobicContact CB-CZ 4.33Å; R677-G778 PolarHBondContact NE-O 3.01Å; R677-G778 PolarHBondContact NH2-O 3.41Å
678	L	79.4	Confident	84.6	Confident	17 Å²	17	52.5 Å²	52.5	9%	0.089	25%	0.249	C	C	.	.			trans	-115.3	137.3	175.6	-69.5	173.3	0	0	0	109.4	L675 A676 K682 H688 I692	L675-L678 HydrophobicContact CB-CB 4.46Å; A676-L678 PolarHBondContact O-N 2.99Å; L678-K682 HydrophobicContact CB-CB 4.43Å; L678-K682 HydrophobicContact CD2-CG 4.47Å; L678-H688 HydrophobicContact CD1-CB 4.12Å; L678-I692 HydrophobicContact CD1-CD1 4.4Å; L678-I692 HydrophobicContact CD1-CG1 4.02Å
679	P	78.4	Confident	85	Confident	60 Å²	60	51.3 Å²	51.3	39%	0.39	24%	0.244	S	C	.	.			trans	-78.5	158.5	176.8	38.6	-39.1	0	0	0	110.2	E681 K682	P679-E681 VanDerWaalsContact CB-OE2 3.26Å; P679-E681 WeakPolarHBondContact CB-OE2 3.37Å; P679-E681 PolarHBondContact O-N 3.37Å; P679-E681 VanDerWaalsContact O-N 3.1Å; P679-K682 HydrophobicContact CG-CG 3.86Å; P679-K682 WeakPolarHBondContact O-CB 3.29Å; P679-K682 PolarHBondContact O-N 3.46Å
680	K	81.7	Confident	85.2	Confident	72 Å²	72	51.7 Å²	51.7	31%	0.313	25%	0.245	S	C	.	.	G	3₁₀ helix	trans	-56.4	-32.8	-172.2	-169.6	-176.3	-169.8	168.2	0	112.4	K682 L683 I927 D928	K680-K682 PolarHBondContact O-N 3.27Å; K680-K682 VanDerWaalsContact O-N 3.11Å; K680-L683 HydrophobicContact CG-CD1 3.79Å; K680-L683 WeakPolarHBondContact O-CB 3.49Å; K680-L683 WeakPolarHBondContact O-CG 3.18Å; K680-L683 PolarHBondContact O-N 2.72Å; K680-L683 VanDerWaalsContact O-N 3.08Å; K680-I927 HydrophobicContact CB-CG2 4.16Å; K680-I927 HydrophobicContact CD-CG2 3.47Å; K680-I927 VanDerWaalsContact CD-CG2 3.47Å; K680-I927 HydrophobicContact CG-CG2 3.84Å; K680-D928 IonicContact NZ-OD2 3.88Å; K680-D928 PolarHBondContact NZ-OD2 3.01Å
681	E	82.8	Confident	85.3	Confident	141 Å²	141	54.4 Å²	54.4	66%	0.659	25%	0.252	S	S	*	.	G	3₁₀ helix	trans	-62.5	-21	-178.9	-56.3	73.9	-158.9	0	0	112.4	P679 L683	P679-E681 VanDerWaalsContact CB-OE2 3.26Å; P679-E681 WeakPolarHBondContact CB-OE2 3.37Å; P679-E681 PolarHBondContact O-N 3.37Å; P679-E681 VanDerWaalsContact O-N 3.1Å; E681-L683 VanDerWaalsContact C-N 3.3Å; E681-L683 PolarHBondContact O-N 2.96Å
682	K	83.4	Confident	85.3	Confident	67 Å²	67	54.4 Å²	54.4	29%	0.291	25%	0.252	S	S	.	.	G	3₁₀ helix	trans	-78.3	-8	177.2	-66.4	-55	-161.5	143	0	114.5	L678 P679 K680 Y684 D685 H688	L678-K682 HydrophobicContact CB-CB 4.43Å; L678-K682 HydrophobicContact CD2-CG 4.47Å; P679-K682 HydrophobicContact CG-CG 3.86Å; P679-K682 WeakPolarHBondContact O-CB 3.29Å; P679-K682 PolarHBondContact O-N 3.46Å; K680-K682 PolarHBondContact O-N 3.27Å; K680-K682 VanDerWaalsContact O-N 3.11Å; K682-Y684 PolarHBondContact O-N 2.67Å; K682-D685 HydrophobicContact CD-CB 4.01Å; K682-D685 IonicContact NZ-OD2 2.67Å; K682-D685 PolarHBondContact NZ-OD2 3.22Å; K682-D685 WeakPolarHBondContact O-CB 3.47Å; K682-D685 PolarHBondContact O-N 2.92Å; K682-D685 VanDerWaalsContact O-N 3.1Å; K682-H688 PolarHBondContact NZ-NE2 2.81Å
683	L	83.8	Confident	85.2	Confident	6 Å²	6	54.1 Å²	54.1	3%	0.031	25%	0.251	C	S	.	.	G	3₁₀ helix	trans	-56.9	-30	173.2	-77.4	168.3	0	0	0	112.9	I673 L675 K680 E681 L748 V757	I673-L683 HydrophobicContact CG2-CD2 3.76Å; L675-L683 HydrophobicContact CD1-CD1 4.2Å; L675-L683 HydrophobicContact CD1-CD2 4.06Å; L675-L683 HydrophobicContact CD1-CG 3.92Å; L675-L683 HydrophobicContact CD2-CD2 3.73Å; L675-L683 HydrophobicContact CD2-CG 4.26Å; L675-L683 HydrophobicContact CG-CD2 4.26Å; K680-L683 HydrophobicContact CG-CD1 3.79Å; K680-L683 WeakPolarHBondContact O-CB 3.49Å; K680-L683 WeakPolarHBondContact O-CG 3.18Å; K680-L683 PolarHBondContact O-N 2.72Å; K680-L683 VanDerWaalsContact O-N 3.08Å; E681-L683 VanDerWaalsContact C-N 3.3Å; E681-L683 PolarHBondContact O-N 2.96Å; L683-L748 VanDerWaalsContact O-CD2 3.29Å; L683-L748 WeakPolarHBondContact O-CD2 3.49Å; L683-V757 HydrophobicContact CD1-CG1 4.3Å; L683-V757 HydrophobicContact CD1-CG2 4.45Å
684	Y	82.5	Confident	85	Confident	166 Å²	166	55.4 Å²	55.4	65%	0.651	26%	0.261	S	S	*	.	G	3₁₀ helix	trans	-98.1	2.6	-178	-51.8	-72.2	0	0	0	113.1	K682	K682-Y684 PolarHBondContact O-N 2.67Å
685	D	85.1	Confident	84.8	Confident	49 Å²	49	56.7 Å²	56.7	26%	0.262	27%	0.268	S	S	.	.			trans	-88.6	117	-179.7	-168.7	-15.2	0	0	0	110	K682 V687 H688	K682-D685 HydrophobicContact CD-CB 4.01Å; K682-D685 IonicContact NZ-OD2 2.67Å; K682-D685 PolarHBondContact NZ-OD2 3.22Å; K682-D685 WeakPolarHBondContact O-CB 3.47Å; K682-D685 PolarHBondContact O-N 2.92Å; K682-D685 VanDerWaalsContact O-N 3.1Å; D685-V687 PolarHBondContact O-N 2.62Å; D685-V687 VanDerWaalsContact O-N 3.11Å; D685-V687 WeakPolarHBondContact OD1-CB 3.31Å; D685-V687 WeakPolarHBondContact OD1-CG2 3.27Å; D685-V687 PolarHBondContact OD1-N 3.01Å; D685-V687 VanDerWaalsContact OD1-N 3.1Å; D685-H688 PolarHBondContact O-N 3.17Å; D685-H688 IonicContact OD2-CD2 2.96Å; D685-H688 IonicContact OD2-NE2 3.16Å
686	Q	81.9	Confident	85	Confident	144 Å²	144	56.7 Å²	56.7	67%	0.673	27%	0.268	S	S	*	.	G	3₁₀ helix	trans	-58.7	-25.9	-179.9	-68.7	-175.3	-15.1	0	0	112.7	H688 L689	Q686-H688 VanDerWaalsContact C-N 3.27Å; Q686-H688 PolarHBondContact O-N 2.77Å; Q686-L689 WeakPolarHBondContact O-CB 3.33Å; Q686-L689 PolarHBondContact O-N 3.14Å
687	V	84.7	Confident	85.6	Confident	116 Å²	116	57.1 Å²	57.1	70%	0.703	27%	0.271	S	S	*	.	G	3₁₀ helix	trans	-65.7	-29.8	-178.3	179.8	0	0	0	0	112.3	D685	D685-V687 PolarHBondContact O-N 2.62Å; D685-V687 VanDerWaalsContact O-N 3.11Å; D685-V687 WeakPolarHBondContact OD1-CB 3.31Å; D685-V687 WeakPolarHBondContact OD1-CG2 3.27Å; D685-V687 PolarHBondContact OD1-N 3.01Å; D685-V687 VanDerWaalsContact OD1-N 3.1Å
688	H	86.2	Confident	86.2	Confident	38 Å²	38	55.8 Å²	55.8	18%	0.176	27%	0.269	C	S	.	.	G	3₁₀ helix	trans	-102.6	2	-174.4	-60.2	-55.4	0	0	0	113.8	L678 K682 D685 Q686 E690 R691 I692	L678-H688 HydrophobicContact CD1-CB 4.12Å; K682-H688 PolarHBondContact NZ-NE2 2.81Å; D685-H688 PolarHBondContact O-N 3.17Å; D685-H688 IonicContact OD2-CD2 2.96Å; D685-H688 IonicContact OD2-NE2 3.16Å; Q686-H688 VanDerWaalsContact C-N 3.27Å; Q686-H688 PolarHBondContact O-N 2.77Å; H688-E690 PolarHBondContact O-N 3.49Å; H688-R691 PolarHBondContact O-N 3.21Å; H688-I692 HydrophobicContact CB-CD1 3.89Å; H688-I692 HydrophobicContact CB-CG1 4.29Å; H688-I692 VanDerWaalsContact O-CG1 3.25Å; H688-I692 WeakPolarHBondContact O-CG1 3.45Å; H688-I692 PolarHBondContact O-N 3.02Å
689	L	89.5	Confident	86.6	Confident	6 Å²	6	55 Å²	55	3%	0.031	27%	0.265	C	S	.	.	H	α-helix	trans	-56.8	-54.4	-171.1	179.8	59.8	0	0	0	113.5	Q686 R691 I692 L693 M744 L748	Q686-L689 WeakPolarHBondContact O-CB 3.33Å; Q686-L689 PolarHBondContact O-N 3.14Å; L689-R691 VanDerWaalsContact C-N 3.33Å; L689-R691 PolarHBondContact O-N 3.29Å; L689-I692 PolarHBondContact O-N 3.3Å; L689-L693 HydrophobicContact CD1-CD1 4.16Å; L689-L693 HydrophobicContact CD1-CG 4.49Å; L689-L693 HydrophobicContact CG-CD1 4.42Å; L689-L693 WeakPolarHBondContact O-CG 3.45Å; L689-L693 PolarHBondContact O-N 3.14Å; L689-M744 HydrophobicContact CD1-CB 4.26Å; L689-M744 HydrophobicContact CD2-CB 3.49Å; L689-M744 VanDerWaalsContact CD2-CB 3.49Å; L689-M744 HydrophobicContact CG-CB 3.73Å; L689-L748 HydrophobicContact CD1-CB 3.61Å; L689-L748 HydrophobicContact CD1-CD2 3.47Å; L689-L748 VanDerWaalsContact CD1-CD2 3.47Å; L689-L748 HydrophobicContact CD1-CG 4.17Å
690	E	90	Very high	87.2	Confident	41 Å²	41	52.1 Å²	52.1	19%	0.192	25%	0.247	C	C	.	.	H	α-helix	trans	-58.1	-46.4	178.6	172.6	171.3	-172.7	0	0	111.3	K560 A561 F562 H688 L693 A694 M744	K560-E690 VanDerWaalsContact C-OE1 3.29Å; K560-E690 WeakPolarHBondContact CA-OE1 3.32Å; K560-E690 WeakPolarHBondContact CB-OE1 3.48Å; A561-E690 HydrophobicContact CB-CG 4.31Å; A561-E690 PolarHBondContact N-OE1 3.45Å; F562-E690 HydrophobicContact CD2-CB 4.44Å; F562-E690 HydrophobicContact CD2-CG 3.72Å; F562-E690 HydrophobicContact CE2-CG 4.1Å; F562-E690 PolarHBondContact N-OE1 2.74Å; H688-E690 PolarHBondContact O-N 3.49Å; E690-L693 PolarHBondContact O-N 3.33Å; E690-A694 WeakPolarHBondContact O-CB 3.41Å; E690-A694 PolarHBondContact O-N 2.8Å; E690-M744 HydrophobicContact CB-SD 4.2Å
691	R	88.5	Confident	87.4	Confident	101 Å²	101	52.9 Å²	52.9	38%	0.381	25%	0.252	S	S	.	.	H	α-helix	trans	-62.1	-46.2	178.9	175.2	175.2	168.1	171.7	-4.5	111.9	A676 H688 L689 A694 Q695	A676-R691 PolarHBondContact O-NH2 2.68Å; A676-R691 VanDerWaalsContact O-NH2 3.1Å; H688-R691 PolarHBondContact O-N 3.21Å; L689-R691 VanDerWaalsContact C-N 3.33Å; L689-R691 PolarHBondContact O-N 3.29Å; R691-A694 PolarHBondContact O-N 2.65Å; R691-Q695 HydrophobicContact CG-CG 4.23Å; R691-Q695 VanDerWaalsContact O-CB 3.26Å; R691-Q695 WeakPolarHBondContact O-CB 2.97Å; R691-Q695 WeakPolarHBondContact O-CG 3.47Å; R691-Q695 PolarHBondContact O-N 3.33Å
692	I	91.8	Very high	87.7	Confident	0 Å²	0	46.9 Å²	46.9	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-61.4	-47.1	179.9	-69.2	165.9	0	0	0	109.7	I673 L675 L678 H688 L689 Q695 S696 L748	I673-I692 HydrophobicContact CG2-CG2 4.06Å; L675-I692 HydrophobicContact CD2-CD1 3.96Å; L675-I692 HydrophobicContact CD2-CG1 3.89Å; L675-I692 HydrophobicContact CD2-CG2 4.09Å; L678-I692 HydrophobicContact CD1-CD1 4.4Å; L678-I692 HydrophobicContact CD1-CG1 4.02Å; H688-I692 HydrophobicContact CB-CD1 3.89Å; H688-I692 HydrophobicContact CB-CG1 4.29Å; H688-I692 VanDerWaalsContact O-CG1 3.25Å; H688-I692 WeakPolarHBondContact O-CG1 3.45Å; H688-I692 PolarHBondContact O-N 3.02Å; L689-I692 PolarHBondContact O-N 3.3Å; I692-Q695 PolarHBondContact O-N 3.13Å; I692-S696 WeakPolarHBondContact O-CB 3.35Å; I692-S696 PolarHBondContact O-N 3.18Å; I692-S696 PolarHBondContact O-OG 3.12Å; I692-L748 HydrophobicContact CG2-CD1 3.99Å; I692-L748 HydrophobicContact CG2-CD2 4.36Å
693	L	93.1	Very high	88	Confident	0 Å²	0	46.3 Å²	46.3	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-62.7	-48.4	179.7	-71	175.1	0	0	0	111.8	F562 L689 E690 Q695 S696 A697 I704 M744 L747 L748 L751	F562-L693 HydrophobicContact CE2-CB 4.22Å; F562-L693 HydrophobicContact CZ-CB 4.5Å; L689-L693 HydrophobicContact CD1-CD1 4.16Å; L689-L693 HydrophobicContact CD1-CG 4.49Å; L689-L693 HydrophobicContact CG-CD1 4.42Å; L689-L693 WeakPolarHBondContact O-CG 3.45Å; L689-L693 PolarHBondContact O-N 3.14Å; E690-L693 PolarHBondContact O-N 3.33Å; L693-Q695 PolarHBondContact O-N 3.01Å; L693-S696 PolarHBondContact O-N 3.46Å; L693-A697 WeakPolarHBondContact O-CB 3.5Å; L693-A697 PolarHBondContact O-N 3.28Å; L693-I704 HydrophobicContact CB-CD1 3.89Å; L693-I704 HydrophobicContact CD2-CD1 4.05Å; L693-I704 HydrophobicContact CG-CD1 4.49Å; L693-M744 HydrophobicContact CD1-CB 3.79Å; L693-M744 HydrophobicContact CD1-CG 3.83Å; L693-M744 HydrophobicContact CD1-SD 4.34Å; L693-L747 HydrophobicContact CD1-CD2 4.4Å; L693-L747 HydrophobicContact CD2-CD2 4.15Å; L693-L747 HydrophobicContact CD2-CG 4.37Å; L693-L748 HydrophobicContact CD2-CB 4.29Å; L693-L748 HydrophobicContact CD2-CD1 4.28Å; L693-L751 HydrophobicContact CD2-CD1 3.9Å
694	A	89.4	Confident	88.3	Confident	27 Å²	27	46.4 Å²	46.4	22%	0.223	22%	0.224	C	C	.	.	H	α-helix	trans	-59.3	-45.7	178.2	0	0	0	0	0	112.1	A561 F562 E690 R691 S696 A697 E698	A561-A694 HydrophobicContact CB-CB 3.78Å; F562-A694 HydrophobicContact CZ-CB 4.39Å; E690-A694 WeakPolarHBondContact O-CB 3.41Å; E690-A694 PolarHBondContact O-N 2.8Å; R691-A694 PolarHBondContact O-N 2.65Å; A694-S696 PolarHBondContact O-N 3.46Å; A694-A697 PolarHBondContact O-N 2.88Å; A694-E698 PolarHBondContact O-N 2.7Å
695	Q	88.6	Confident	88.8	Confident	28 Å²	28	39.2 Å²	39.2	13%	0.131	20%	0.198	C	C	.	.	H	α-helix	trans	-67.8	-35.4	178.4	-71.3	-177.5	-30.9	0	0	112.7	Y674 R691 I692 L693 F699	Y674-Q695 HydrophobicContact CD1-CB 4.07Å; R691-Q695 HydrophobicContact CG-CG 4.23Å; R691-Q695 VanDerWaalsContact O-CB 3.26Å; R691-Q695 WeakPolarHBondContact O-CB 2.97Å; R691-Q695 WeakPolarHBondContact O-CG 3.47Å; R691-Q695 PolarHBondContact O-N 3.33Å; I692-Q695 PolarHBondContact O-N 3.13Å; L693-Q695 PolarHBondContact O-N 3.01Å; Q695-F699 VanDerWaalsContact O-CB 3.32Å; Q695-F699 WeakPolarHBondContact O-CB 3.32Å; Q695-F699 PolarHBondContact O-N 2.86Å
696	S	92.5	Very high	89.2	Confident	1 Å²	1	37.5 Å²	37.5	1%	0.007	19%	0.188	C	C	.	.	H	α-helix	trans	-68.7	-38.2	176.2	-57.9	0	0	0	0	111.5	W672 I673 Y674 I692 L693 A694 S700	W672-S696 WeakPolarHBondContact O-CB 3.39Å; I673-S696 WeakPolarHBondContact CA-OG 3.44Å; Y674-S696 PolarHBondContact N-OG 3.11Å; I692-S696 WeakPolarHBondContact O-CB 3.35Å; I692-S696 PolarHBondContact O-N 3.18Å; I692-S696 PolarHBondContact O-OG 3.12Å; L693-S696 PolarHBondContact O-N 3.46Å; A694-S696 PolarHBondContact O-N 3.46Å; S696-S700 WeakPolarHBondContact O-CB 3.25Å; S696-S700 PolarHBondContact O-N 3.09Å; S696-S700 PolarHBondContact O-OG 3.47Å
697	A	91.1	Very high	89.8	Confident	8 Å²	8	31 Å²	31	7%	0.066	16%	0.158	C	C	.	.	H	α-helix	trans	-64.3	-47.4	175.6	0	0	0	0	0	110.4	M671 L693 A694 S700 Q701 M702 I704	M671-A697 HydrophobicContact CE-CB 4.04Å; M671-A697 VanDerWaalsContact CE-N 3.26Å; L693-A697 WeakPolarHBondContact O-CB 3.5Å; L693-A697 PolarHBondContact O-N 3.28Å; A694-A697 PolarHBondContact O-N 2.88Å; A697-S700 CarbonylContact O-C 3.5Å; A697-S700 PolarHBondContact O-N 3.09Å; A697-Q701 PolarHBondContact O-N 3.02Å; A697-M702 CarbonylContact C-O 3.57Å; A697-M702 WeakPolarHBondContact CB-O 3.38Å; A697-M702 PolarHBondContact O-N 3.5Å; A697-M702 VanDerWaalsContact O-O 3.08Å; A697-I704 HydrophobicContact CB-CB 4.48Å; A697-I704 HydrophobicContact CB-CD1 4.05Å; A697-I704 HydrophobicContact CB-CG1 3.97Å
698	E	85.3	Confident	90.3	Very high	83 Å²	83	25.5 Å²	25.5	39%	0.388	12%	0.124	S	C	.	.	H	α-helix	trans	-60.7	-46.4	175.7	-166.8	-165.3	161.1	0	0	112.4	A694 S700 Q701 L776 W777	A694-E698 PolarHBondContact O-N 2.7Å; E698-S700 VanDerWaalsContact C-N 3.32Å; E698-S700 PolarHBondContact O-N 2.82Å; E698-Q701 PolarHBondContact O-N 3.05Å; E698-L776 WeakPolarHBondContact OE1-CD1 3.41Å; E698-W777 VanDerWaalsContact OE1-CD1 3.28Å
699	F	88	Confident	90.8	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-62.2	-41	177.3	176	-98.3	0	0	0	111.8	W672 Y674 Q695 Q701 V758 W777 L908 L911 F924	W672-F699 HydrophobicContact CB-CD1 4.18Å; W672-F699 HydrophobicContact CB-CE1 4Å; W672-F699 HydrophobicContact CE3-CE1 4.32Å; Y674-F699 HydrophobicContact CD1-CB 4.08Å; Y674-F699 HydrophobicContact CD2-CD2 4.01Å; Y674-F699 HydrophobicContact CD2-CE2 4.4Å; Y674-F699 HydrophobicContact CD2-CG 4.2Å; Y674-F699 HydrophobicContact CE2-CD2 4.41Å; Y674-F699 HydrophobicContact CG-CB 3.88Å; Y674-F699 HydrophobicContact CG-CD2 4.14Å; Y674-F699 AromaticContact CG-CG 3.95Å; Y674-F699 HydrophobicContact CG-CG 3.95Å; Q695-F699 VanDerWaalsContact O-CB 3.32Å; Q695-F699 WeakPolarHBondContact O-CB 3.32Å; Q695-F699 PolarHBondContact O-N 2.86Å; F699-Q701 VanDerWaalsContact C-N 3.25Å; F699-Q701 PolarHBondContact O-N 3.45Å; F699-V758 HydrophobicContact CE1-CG2 4.34Å; F699-V758 HydrophobicContact CZ-CB 4.48Å; F699-V758 HydrophobicContact CZ-CG1 4.3Å; F699-V758 HydrophobicContact CZ-CG2 4.34Å; F699-W777 HydrophobicContact CD2-CD2 4.33Å; F699-W777 HydrophobicContact CD2-CE3 4.39Å; F699-W777 HydrophobicContact CD2-CH2 4.39Å; F699-W777 HydrophobicContact CD2-CZ2 4.35Å; F699-W777 HydrophobicContact CD2-CZ3 4.41Å; F699-L908 HydrophobicContact CE1-CD1 4.43Å; F699-L908 HydrophobicContact CZ-CD1 4.27Å; F699-L908 VanDerWaalsContact O-CD2 3.26Å; F699-L908 WeakPolarHBondContact O-CD2 3.37Å; F699-L911 HydrophobicContact CE2-CD2 4.45Å; F699-F924 HydrophobicContact CD2-CE1 4.42Å; F699-F924 HydrophobicContact CE2-CD1 4.17Å; F699-F924 AromaticContact CE2-CE1 3.95Å; F699-F924 HydrophobicContact CE2-CE1 3.95Å
700	S	90.4	Very high	90.9	Very high	1 Å²	1	23.8 Å²	23.8	1%	0.007	12%	0.116	C	C	.	.	H	α-helix	trans	-79.8	-8.3	-179.1	-59.3	0	0	0	0	113.5	W672 S696 A697 E698 M702 L908	W672-S700 PolarHBondContact N-OG 3.11Å; W672-S700 PolarHBondContact O-OG 2.99Å; S696-S700 WeakPolarHBondContact O-CB 3.25Å; S696-S700 PolarHBondContact O-N 3.09Å; S696-S700 PolarHBondContact O-OG 3.47Å; A697-S700 CarbonylContact O-C 3.5Å; A697-S700 PolarHBondContact O-N 3.09Å; E698-S700 VanDerWaalsContact C-N 3.32Å; E698-S700 PolarHBondContact O-N 2.82Å; S700-M702 VanDerWaalsContact C-N 3.27Å; S700-M702 PolarHBondContact O-N 3.48Å; S700-L908 WeakPolarHBondContact O-CD2 3.46Å
701	Q	87.2	Confident	90.9	Very high	88 Å²	88	24.7 Å²	24.7	41%	0.411	12%	0.12	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.5	49.4	-170.8	-57.6	173	-15.3	0	0	111	K666 A697 E698 F699 L908	K666-Q701 PolarHBondContact NZ-O 3.19Å; A697-Q701 PolarHBondContact O-N 3.02Å; E698-Q701 PolarHBondContact O-N 3.05Å; F699-Q701 VanDerWaalsContact C-N 3.25Å; F699-Q701 PolarHBondContact O-N 3.45Å; Q701-L908 HydrophobicContact CG-CD2 4.17Å
702	M	89.2	Confident	90.6	Very high	15 Å²	15	20.5 Å²	20.5	7%	0.074	11%	0.106	C	C	.	.			trans	-129.1	162.2	178.1	-66.4	176.6	84.1	0	0	108.8	K666 D670 M671 A697 S700 I723 D724	K666-M702 HydrophobicContact CB-CE 3.88Å; K666-M702 HydrophobicContact CB-SD 4.49Å; K666-M702 HydrophobicContact CD-CG 4.03Å; D670-M702 HydrophobicContact CB-SD 4.3Å; M671-M702 HydrophobicContact CB-CE 4.36Å; M671-M702 HydrophobicContact CB-SD 3.77Å; M671-M702 HydrophobicContact CG-SD 4.45Å; M671-M702 HydrophobicContact SD-CB 4.11Å; M671-M702 HydrophobicContact SD-SD 3.88Å; A697-M702 CarbonylContact C-O 3.57Å; A697-M702 WeakPolarHBondContact CB-O 3.38Å; A697-M702 PolarHBondContact O-N 3.5Å; A697-M702 VanDerWaalsContact O-O 3.08Å; S700-M702 VanDerWaalsContact C-N 3.27Å; S700-M702 PolarHBondContact O-N 3.48Å; M702-I723 HydrophobicContact CE-CG2 3.23Å; M702-I723 HydrophobicContact SD-CG2 4.42Å; M702-D724 VanDerWaalsContact CA-OD1 3.23Å; M702-D724 WeakPolarHBondContact CA-OD1 3.16Å; M702-D724 WeakPolarHBondContact CB-OD1 3.5Å
703	L	88.4	Confident	90.1	Very high	55 Å²	55	22 Å²	22	29%	0.288	12%	0.115	S	C	.	.			trans	-105.1	133.9	177.3	-177.7	68.6	0	0	0	110.1	V662 I723 D724	V662-L703 HydrophobicContact CG2-CD2 4.31Å; L703-I723 CarbonylContact O-C 3.58Å; L703-I723 VanDerWaalsContact O-CA 3.29Å; L703-I723 WeakPolarHBondContact O-CA 3.42Å; L703-D724 PolarHBondContact N-OD1 3.27Å; L703-D724 PolarHBondContact O-N 2.88Å
704	I	91.6	Very high	89.7	Confident	8 Å²	8	24.8 Å²	24.8	4%	0.041	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	129.2	163.5	-67.3	176.3	0	0	0	108.2	F562 M671 L693 A697 F706 L722 I723 L747	F562-I704 HydrophobicContact CE1-CB 4.28Å; F562-I704 HydrophobicContact CE1-CG2 4.11Å; F562-I704 WeakPolarHBondContact CE1-O 3.49Å; F562-I704 HydrophobicContact CZ-CB 4.13Å; F562-I704 HydrophobicContact CZ-CG2 3.89Å; M671-I704 HydrophobicContact CE-CD1 3.62Å; M671-I704 HydrophobicContact CE-CG1 4.24Å; L693-I704 HydrophobicContact CB-CD1 3.89Å; L693-I704 HydrophobicContact CD2-CD1 4.05Å; L693-I704 HydrophobicContact CG-CD1 4.49Å; A697-I704 HydrophobicContact CB-CB 4.48Å; A697-I704 HydrophobicContact CB-CD1 4.05Å; A697-I704 HydrophobicContact CB-CG1 3.97Å; I704-F706 HydrophobicContact CG2-CE2 3.9Å; I704-F706 HydrophobicContact CG2-CZ 3.87Å; I704-L722 WeakPolarHBondContact CA-O 3.37Å; I704-I723 HydrophobicContact CG1-CG1 4.07Å; I704-L747 HydrophobicContact CD1-CD2 4.36Å; I704-L747 HydrophobicContact CG2-CD2 4.33Å
705	S	91.4	Very high	89.5	Confident	15 Å²	15	23.8 Å²	23.8	11%	0.105	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	169.9	173.9	65.7	0	0	0	0	111.4	L722	S705-L722 PolarHBondContact N-O 2.99Å; S705-L722 PolarHBondContact O-N 2.87Å
706	F	93.7	Very high	89.6	Confident	12 Å²	12	25.6 Å²	25.6	5%	0.053	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	135.6	-176.9	-57.9	-89.1	0	0	0	110.2	F562 I704 F708 N720 T721 Q740 M744	F562-F706 HydrophobicContact CB-CD2 4.26Å; F562-F706 HydrophobicContact CB-CE2 4.05Å; F562-F706 HydrophobicContact CD1-CD2 4.12Å; F562-F706 AromaticContact CD1-CE2 3.65Å; F562-F706 HydrophobicContact CD1-CE2 3.65Å; F562-F706 AromaticContact CD2-CE2 3.73Å; F562-F706 HydrophobicContact CD2-CE2 3.73Å; F562-F706 HydrophobicContact CD2-CZ 4.34Å; F562-F706 AromaticContact CE1-CE2 3.96Å; F562-F706 HydrophobicContact CE1-CE2 3.96Å; F562-F706 HydrophobicContact CE2-CE2 4.05Å; F562-F706 HydrophobicContact CE2-CZ 4.46Å; F562-F706 HydrophobicContact CG-CD2 4.13Å; F562-F706 AromaticContact CG-CE2 3.53Å; F562-F706 HydrophobicContact CG-CE2 3.53Å; F562-F706 HydrophobicContact CZ-CE2 4.15Å; I704-F706 HydrophobicContact CG2-CE2 3.9Å; I704-F706 HydrophobicContact CG2-CZ 3.87Å; F706-F708 HydrophobicContact CB-CE2 3.83Å; F706-F708 HydrophobicContact CB-CZ 3.96Å; F706-N720 WeakPolarHBondContact CA-O 3.25Å; F706-T721 HydrophobicContact CD1-CG2 4.02Å; F706-T721 HydrophobicContact CE1-CG2 3.73Å; F706-Q740 HydrophobicContact CD1-CG 4.42Å; F706-Q740 HydrophobicContact CG-CG 4.43Å; F706-M744 HydrophobicContact CE1-CG 3.76Å; F706-M744 HydrophobicContact CE2-CG 4.38Å; F706-M744 HydrophobicContact CZ-CG 3.44Å; F706-M744 VanDerWaalsContact CZ-CG 3.44Å; F706-M744 HydrophobicContact CZ-SD 4.26Å
707	E	94.5	Very high	89.7	Confident	8 Å²	8	25.5 Å²	25.5	4%	0.037	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	138.1	172.6	-74.3	173	174.8	0	0	109.2	L589 C593 N720 L722 R727	L589-E707 WeakPolarHBondContact CD1-OE1 3.37Å; L589-E707 HydrophobicContact CD2-CG 4.37Å; L589-E707 HydrophobicContact CG-CG 4.16Å; L589-E707 WeakPolarHBondContact CG-OE1 3.28Å; C593-E707 HydrophobicContact CB-CB 4.37Å; C593-E707 HydrophobicContact CB-CG 4.14Å; E707-N720 HydrophobicContact CB-CB 4.49Å; E707-N720 PolarHBondContact N-O 2.92Å; E707-N720 PolarHBondContact O-N 3.47Å; E707-L722 HydrophobicContact CB-CD1 3.86Å; E707-L722 HydrophobicContact CG-CD1 3.57Å; E707-L722 HydrophobicContact CG-CD2 4.34Å; E707-R727 IonicContact OE2-CZ 3.77Å; E707-R727 VanDerWaalsContact OE2-CZ 3.27Å; E707-R727 IonicContact OE2-NE 3.28Å; E707-R727 PolarHBondContact OE2-NE 3.17Å; E707-R727 IonicContact OE2-NH2 2.71Å; E707-R727 PolarHBondContact OE2-NH2 2.89Å
708	F	96.4	Very high	89.9	Confident	0 Å²	0	27 Å²	27	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	127.2	-177.1	-57.4	-94.5	0	0	0	109.5	L567 S582 L583 F706 I717 I718 C719 L736 A739 Q740	L567-F708 HydrophobicContact CD1-CD2 3.85Å; L567-F708 HydrophobicContact CD1-CE2 3.54Å; L567-F708 HydrophobicContact CD1-CZ 4.18Å; L567-F708 HydrophobicContact CD2-CD2 4.39Å; L567-F708 HydrophobicContact CD2-CE2 4.02Å; L567-F708 HydrophobicContact CG-CE2 4.46Å; S582-F708 CarbonylContact C-O 3.55Å; S582-F708 WeakPolarHBondContact CA-O 3.1Å; S582-F708 WeakPolarHBondContact CB-O 3.18Å; L583-F708 HydrophobicContact CB-CB 4.12Å; L583-F708 HydrophobicContact CB-CD2 4.5Å; L583-F708 HydrophobicContact CD1-CB 4.03Å; L583-F708 PolarHBondContact N-O 3.25Å; L583-F708 PolarHBondContact O-N 2.8Å; F706-F708 HydrophobicContact CB-CE2 3.83Å; F706-F708 HydrophobicContact CB-CZ 3.96Å; F708-I717 HydrophobicContact CB-CG2 3.99Å; F708-I717 HydrophobicContact CD1-CG2 3.95Å; F708-I717 HydrophobicContact CG-CG2 4.45Å; F708-I718 CarbonylContact C-O 3.58Å; F708-I718 VanDerWaalsContact CA-O 3.31Å; F708-I718 WeakPolarHBondContact CA-O 3.35Å; F708-C719 HydrophobicContact CD1-CB 3.75Å; F708-C719 HydrophobicContact CE1-CB 3.72Å; F708-C719 WeakPolarHBondContact CE1-SG 3.42Å; F708-L736 HydrophobicContact CB-CD2 3.96Å; F708-L736 HydrophobicContact CD1-CD2 3.41Å; F708-L736 VanDerWaalsContact CD1-CD2 3.41Å; F708-L736 HydrophobicContact CD2-CD2 4.25Å; F708-L736 HydrophobicContact CE1-CD2 3.88Å; F708-L736 HydrophobicContact CG-CD2 3.61Å; F708-L736 HydrophobicContact CZ-CD2 4.49Å; F708-A739 HydrophobicContact CE1-CB 4.41Å; F708-Q740 HydrophobicContact CE1-CB 4.13Å; F708-Q740 HydrophobicContact CZ-CB 4.08Å; F708-Q740 HydrophobicContact CZ-CG 4.23Å
709	E	95.4	Very high	90.4	Very high	8 Å²	8	23 Å²	23	4%	0.037	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	129.9	175.3	-64.9	175.1	97.2	0	0	109.1	R596 Q597 I718 N720 R727	R596-E709 IonicContact CZ-OE1 3.98Å; R596-E709 IonicContact NH1-OE1 2.7Å; R596-E709 IonicContact NH2-OE1 2.8Å; R596-E709 PolarHBondContact NH2-OE1 3.42Å; R596-E709 IonicContact NH2-OE2 3.77Å; R596-E709 PolarHBondContact NH2-OE2 2.98Å; Q597-E709 WeakPolarHBondContact CB-OE1 3.42Å; Q597-E709 HydrophobicContact CG-CG 4.45Å; Q597-E709 WeakPolarHBondContact CG-OE1 3.4Å; E709-I718 HydrophobicContact CB-CB 4.33Å; E709-I718 PolarHBondContact N-O 3.5Å; E709-I718 PolarHBondContact O-N 2.89Å; E709-N720 PolarHBondContact OE2-ND2 3.26Å; E709-R727 IonicContact OE2-CZ 3.85Å; E709-R727 IonicContact OE2-NH1 3.76Å; E709-R727 PolarHBondContact OE2-NH1 3.12Å; E709-R727 IonicContact OE2-NH2 3.65Å
710	V	92.4	Very high	90.7	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	115.2	175.7	-176.2	0	0	0	0	108.4	E581 L583 Q597 T712	E581-V710 HydrophobicContact CB-CB 4.25Å; E581-V710 HydrophobicContact CB-CG2 4.46Å; E581-V710 HydrophobicContact CG-CB 4.3Å; E581-V710 HydrophobicContact CG-CG2 3.99Å; E581-V710 PolarHBondContact O-N 2.85Å; L583-V710 HydrophobicContact CD1-CG2 3.78Å; Q597-V710 PolarHBondContact NE2-O 3.4Å; V710-T712 PolarHBondContact O-N 3.1Å; V710-T712 VanDerWaalsContact O-N 3.1Å
711	Q	90	Very high	90.9	Very high	60 Å²	60	23.1 Å²	23.1	28%	0.28	12%	0.121	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	95.1	174.9	-175.3	169.9	5.5	0	0	109.5	T713 T714 G715 Q716 I718 E732	Q711-T713 WeakPolarHBondContact CG-OG1 3.38Å; Q711-T713 PolarHBondContact NE2-OG1 3.02Å; Q711-T713 VanDerWaalsContact NE2-OG1 3.15Å; Q711-T713 PolarHBondContact O-N 3.08Å; Q711-T714 WeakPolarHBondContact CG-OG1 3.43Å; Q711-T714 PolarHBondContact O-N 3.32Å; Q711-T714 VanDerWaalsContact O-N 3.1Å; Q711-G715 WeakPolarHBondContact O-CA 3.3Å; Q711-G715 PolarHBondContact O-N 3.39Å; Q711-Q716 PolarHBondContact N-O 3.48Å; Q711-I718 HydrophobicContact CB-CD1 4.26Å; Q711-E732 PolarHBondContact OE1-OE1 2.82Å
712	T	81.7	Confident	91.1	Very high	13 Å²	13	19.1 Å²	19.1	8%	0.08	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.5	-25.8	-176.4	57.4	0	0	0	0	114.3	P633 K634 L635 V710	P633-T712 CarbonylContact C-O 3.39Å; P633-T712 VanDerWaalsContact CA-O 3.28Å; P633-T712 WeakPolarHBondContact CA-O 3.45Å; P633-T712 WeakPolarHBondContact CB-O 3.5Å; K634-T712 CarbonylContact C-O 3.55Å; K634-T712 PolarHBondContact N-O 2.76Å; L635-T712 HydrophobicContact CD2-CG2 3.81Å; V710-T712 PolarHBondContact O-N 3.1Å; V710-T712 VanDerWaalsContact O-N 3.1Å
713	T	82.1	Confident	91.1	Very high	32 Å²	32	18.4 Å²	18.4	20%	0.196	10%	0.099	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-39.1	-179.1	59.8	0	0	0	0	113.5	P627 Q711	P627-T713 HydrophobicContact CG-CG2 3.61Å; Q711-T713 WeakPolarHBondContact CG-OG1 3.38Å; Q711-T713 PolarHBondContact NE2-OG1 3.02Å; Q711-T713 VanDerWaalsContact NE2-OG1 3.15Å; Q711-T713 PolarHBondContact O-N 3.08Å
714	T	85.2	Confident	91	Very high	58 Å²	58	16.2 Å²	16.2	36%	0.356	9%	0.087	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.9	-19.5	-174.8	51.6	0	0	0	0	111.7	Q711 Q716	Q711-T714 WeakPolarHBondContact CG-OG1 3.43Å; Q711-T714 PolarHBondContact O-N 3.32Å; Q711-T714 VanDerWaalsContact O-N 3.1Å; T714-Q716 PolarHBondContact O-N 2.88Å; T714-Q716 PolarHBondContact OG1-N 3.01Å
715	G	85	Confident	90.5	Very high	6 Å²	6	18.2 Å²	18.2	6%	0.062	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	67.6	17.1	-167.6	0	0	0	0	0	112.9	K634 Q711	K634-G715 WeakPolarHBondContact O-CA 3.39Å; Q711-G715 WeakPolarHBondContact O-CA 3.3Å; Q711-G715 PolarHBondContact O-N 3.39Å
716	Q	91.2	Very high	90.2	Very high	66 Å²	66	19.7 Å²	19.7	31%	0.308	10%	0.104	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	157.2	173.4	-66.8	-168.4	61.8	0	0	110.5	Q711 T714 E732	Q711-Q716 PolarHBondContact N-O 3.48Å; T714-Q716 PolarHBondContact O-N 2.88Å; T714-Q716 PolarHBondContact OG1-N 3.01Å; Q716-E732 HydrophobicContact CB-CG 3.65Å; Q716-E732 WeakPolarHBondContact CB-OE1 3.45Å; Q716-E732 VanDerWaalsContact CD-CD 3.5Å; Q716-E732 HydrophobicContact CG-CG 4.34Å; Q716-E732 WeakPolarHBondContact CG-OE1 3.36Å; Q716-E732 PolarHBondContact NE2-OE1 3.48Å; Q716-E732 VanDerWaalsContact OE1-CD 3.31Å; Q716-E732 VanDerWaalsContact OE1-CG 3.28Å; Q716-E732 PolarHBondContact OE1-OE1 2.85Å; Q716-E732 VanDerWaalsContact OE1-OE1 3.13Å
717	I	93.2	Very high	89.9	Confident	0 Å²	0	21.9 Å²	21.9	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	123.5	-179.8	-56.2	-179.6	0	0	0	108.3	F708 E732 S733 L736	F708-I717 HydrophobicContact CB-CG2 3.99Å; F708-I717 HydrophobicContact CD1-CG2 3.95Å; F708-I717 HydrophobicContact CG-CG2 4.45Å; I717-E732 WeakPolarHBondContact O-CA 3.46Å; I717-S733 PolarHBondContact N-O 3.42Å; I717-S733 PolarHBondContact O-N 3.34Å; I717-L736 HydrophobicContact CD1-CD2 3.98Å; I717-L736 HydrophobicContact CD1-CG 3.81Å; I717-L736 HydrophobicContact CG2-CD2 3.88Å
718	I	95.2	Very high	89.5	Confident	39 Å²	39	22.7 Å²	22.7	20%	0.2	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	112.2	175.2	-58.5	168.5	0	0	0	107.7	F708 E709 Q711 V731 E732	F708-I718 CarbonylContact C-O 3.58Å; F708-I718 VanDerWaalsContact CA-O 3.31Å; F708-I718 WeakPolarHBondContact CA-O 3.35Å; E709-I718 HydrophobicContact CB-CB 4.33Å; E709-I718 PolarHBondContact N-O 3.5Å; E709-I718 PolarHBondContact O-N 2.89Å; Q711-I718 HydrophobicContact CB-CD1 4.26Å; I718-V731 CarbonylContact C-O 3.55Å; I718-V731 WeakPolarHBondContact CA-O 3.46Å; I718-E732 HydrophobicContact CG1-CB 4.35Å; I718-E732 HydrophobicContact CG1-CG 4Å
719	C	96.5	Very high	89.2	Confident	0 Å²	0	25 Å²	25	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	123.3	172.1	-177	0	0	0	0	109.8	F708 S730 V731 A739 A743	F708-C719 HydrophobicContact CD1-CB 3.75Å; F708-C719 HydrophobicContact CE1-CB 3.72Å; F708-C719 WeakPolarHBondContact CE1-SG 3.42Å; C719-S730 CarbonylContact O-C 3.55Å; C719-S730 WeakPolarHBondContact O-CA 3.37Å; C719-V731 PolarHBondContact N-O 3.32Å; C719-V731 PolarHBondContact O-N 3.01Å; C719-A739 HydrophobicContact CB-CB 3.68Å; C719-A743 HydrophobicContact CB-CB 4.07Å
720	N	95.1	Very high	89.2	Confident	3 Å²	3	28.4 Å²	28.4	2%	0.016	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	130.4	173.7	-59	-80.5	0	0	0	109.2	F706 E707 E709 L722 R727 L729 S730	F706-N720 WeakPolarHBondContact CA-O 3.25Å; E707-N720 HydrophobicContact CB-CB 4.49Å; E707-N720 PolarHBondContact N-O 2.92Å; E707-N720 PolarHBondContact O-N 3.47Å; E709-N720 PolarHBondContact OE2-ND2 3.26Å; N720-L722 WeakPolarHBondContact O-CD1 3.06Å; N720-R727 VanDerWaalsContact CG-CZ 3.5Å; N720-R727 PolarHBondContact ND2-NH1 3.47Å; N720-R727 VanDerWaalsContact ND2-NH1 3.11Å; N720-R727 PolarHBondContact ND2-NH2 3.21Å; N720-R727 PolarHBondContact OD1-NH1 3.19Å; N720-L729 CarbonylContact C-O 3.58Å; N720-L729 VanDerWaalsContact CA-O 3.32Å; N720-L729 WeakPolarHBondContact CA-O 3.32Å; N720-S730 WeakPolarHBondContact OD1-CB 3.44Å; N720-S730 PolarHBondContact OD1-OG 2.92Å
721	T	93.5	Very high	89.3	Confident	0 Å²	0	29.8 Å²	29.8	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	132.3	173.3	65.4	0	0	0	0	109.8	F706 C728 L729 A743 L747	F706-T721 HydrophobicContact CD1-CG2 4.02Å; F706-T721 HydrophobicContact CE1-CG2 3.73Å; T721-C728 PolarHBondContact O-N 2.76Å; T721-L729 PolarHBondContact N-O 3.09Å; T721-L729 PolarHBondContact OG1-N 3.04Å; T721-A743 HydrophobicContact CG2-CB 3.68Å; T721-L747 HydrophobicContact CG2-CB 4.27Å; T721-L747 HydrophobicContact CG2-CD2 4.39Å
722	L	91	Very high	89.4	Confident	3 Å²	3	31 Å²	31	2%	0.016	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	137.7	176.7	-57.7	91.9	0	0	0	110.2	I704 S705 E707 N720 Q726 R727	I704-L722 WeakPolarHBondContact CA-O 3.37Å; S705-L722 PolarHBondContact N-O 2.99Å; S705-L722 PolarHBondContact O-N 2.87Å; E707-L722 HydrophobicContact CB-CD1 3.86Å; E707-L722 HydrophobicContact CG-CD1 3.57Å; E707-L722 HydrophobicContact CG-CD2 4.34Å; N720-L722 WeakPolarHBondContact O-CD1 3.06Å; L722-Q726 VanDerWaalsContact CA-O 3.29Å; L722-Q726 WeakPolarHBondContact CA-O 3.24Å; L722-R727 HydrophobicContact CD2-CG 4.07Å; L722-R727 HydrophobicContact CG-CG 4.07Å
723	I	89.5	Confident	90	Very high	1 Å²	1	30.7 Å²	30.7	1%	0.005	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	120.5	167.4	-75.3	165.5	0	0	0	106.9	F668 M702 L703 I704 N725 Q726 L747	F668-I723 HydrophobicContact CD2-CB 4.49Å; F668-I723 HydrophobicContact CD2-CD1 3.34Å; F668-I723 HydrophobicContact CD2-CG1 4.47Å; F668-I723 HydrophobicContact CE2-CD1 3.33Å; M702-I723 HydrophobicContact CE-CG2 3.23Å; M702-I723 HydrophobicContact SD-CG2 4.42Å; L703-I723 CarbonylContact O-C 3.58Å; L703-I723 VanDerWaalsContact O-CA 3.29Å; L703-I723 WeakPolarHBondContact O-CA 3.42Å; I704-I723 HydrophobicContact CG1-CG1 4.07Å; I723-N725 PolarHBondContact O-N 2.93Å; I723-Q726 PolarHBondContact N-O 3.06Å; I723-Q726 WeakPolarHBondContact O-CB 3.3Å; I723-Q726 PolarHBondContact O-N 2.89Å; I723-L747 HydrophobicContact CD1-CD1 3.87Å; I723-L747 HydrophobicContact CD1-CD2 4.45Å
724	D	85.6	Confident	90.2	Very high	8 Å²	8	33.7 Å²	33.7	4%	0.043	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.3	43.7	-173.8	-80.1	4.4	0	0	0	112.3	V662 P665 K666 M702 L703 Q726	V662-D724 HydrophobicContact CG1-CB 4.03Å; P665-D724 HydrophobicContact CB-CB 4.02Å; P665-D724 WeakPolarHBondContact CB-O 3.33Å; K666-D724 WeakPolarHBondContact CB-OD2 3.37Å; K666-D724 PolarHBondContact N-OD2 3.24Å; M702-D724 VanDerWaalsContact CA-OD1 3.23Å; M702-D724 WeakPolarHBondContact CA-OD1 3.16Å; M702-D724 WeakPolarHBondContact CB-OD1 3.5Å; L703-D724 PolarHBondContact N-OD1 3.27Å; L703-D724 PolarHBondContact O-N 2.88Å; D724-Q726 PolarHBondContact O-N 2.96Å; D724-Q726 VanDerWaalsContact O-N 3.14Å
725	N	82.9	Confident	90.3	Very high	51 Å²	51	31.2 Å²	31.2	27%	0.273	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.5	12.1	-175.5	-59.9	-24.1	0	0	0	115.4	I723	I723-N725 PolarHBondContact O-N 2.93Å
726	Q	84.2	Confident	90.6	Very high	46 Å²	46	31 Å²	31	22%	0.215	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	123.8	171.3	-60.6	-176.2	-3.3	0	0	110.7	P665 L722 I723 D724 C728	P665-Q726 HydrophobicContact CB-CG 4.22Å; L722-Q726 VanDerWaalsContact CA-O 3.29Å; L722-Q726 WeakPolarHBondContact CA-O 3.24Å; I723-Q726 PolarHBondContact N-O 3.06Å; I723-Q726 WeakPolarHBondContact O-CB 3.3Å; I723-Q726 PolarHBondContact O-N 2.89Å; D724-Q726 PolarHBondContact O-N 2.96Å; D724-Q726 VanDerWaalsContact O-N 3.14Å; Q726-C728 PolarHBondContact O-N 3.24Å; Q726-C728 PolarHBondContact O-SG 3.14Å; Q726-C728 VanDerWaalsContact O-SG 3.35Å
727	R	87.3	Confident	90.6	Very high	57 Å²	57	31 Å²	31	22%	0.215	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	122.4	178.5	-74.9	178.6	162.5	-136.4	-1.7	111.4	C593 R596 E707 E709 N720 L722	C593-R727 PolarHBondContact SG-NH2 2.9Å; C593-R727 VanDerWaalsContact SG-NH2 3.41Å; R596-R727 VanDerWaalsContact NE-NH2 3.18Å; E707-R727 IonicContact OE2-CZ 3.77Å; E707-R727 VanDerWaalsContact OE2-CZ 3.27Å; E707-R727 IonicContact OE2-NE 3.28Å; E707-R727 PolarHBondContact OE2-NE 3.17Å; E707-R727 IonicContact OE2-NH2 2.71Å; E707-R727 PolarHBondContact OE2-NH2 2.89Å; E709-R727 IonicContact OE2-CZ 3.85Å; E709-R727 IonicContact OE2-NH1 3.76Å; E709-R727 PolarHBondContact OE2-NH1 3.12Å; E709-R727 IonicContact OE2-NH2 3.65Å; N720-R727 VanDerWaalsContact CG-CZ 3.5Å; N720-R727 PolarHBondContact ND2-NH1 3.47Å; N720-R727 VanDerWaalsContact ND2-NH1 3.11Å; N720-R727 PolarHBondContact ND2-NH2 3.21Å; N720-R727 PolarHBondContact OD1-NH1 3.19Å; L722-R727 HydrophobicContact CD2-CG 4.07Å; L722-R727 HydrophobicContact CG-CG 4.07Å
728	C	86.3	Confident	90.5	Very high	26 Å²	26	34.1 Å²	34.1	18%	0.176	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	-39	-173.3	-70.8	0	0	0	0	114.3	T721 Q726 L747 K750	T721-C728 PolarHBondContact O-N 2.76Å; Q726-C728 PolarHBondContact O-N 3.24Å; Q726-C728 PolarHBondContact O-SG 3.14Å; Q726-C728 VanDerWaalsContact O-SG 3.35Å; C728-L747 HydrophobicContact CB-CD1 4.48Å; C728-K750 PolarHBondContact O-NZ 3.23Å; C728-K750 VanDerWaalsContact O-NZ 3.09Å
729	L	90.6	Very high	90.4	Very high	49 Å²	49	32.2 Å²	32.2	26%	0.257	18%	0.176	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	154.4	-174.6	-71.1	173.5	0	0	0	109.9	N720 T721 L747 K750	N720-L729 CarbonylContact C-O 3.58Å; N720-L729 VanDerWaalsContact CA-O 3.32Å; N720-L729 WeakPolarHBondContact CA-O 3.32Å; T721-L729 PolarHBondContact N-O 3.09Å; T721-L729 PolarHBondContact OG1-N 3.04Å; L729-L747 HydrophobicContact CD1-CB 4.31Å; L729-L747 HydrophobicContact CD1-CD1 4.37Å; L729-K750 HydrophobicContact CD1-CB 4.12Å; L729-K750 HydrophobicContact CD1-CD 3.86Å; L729-K750 HydrophobicContact CD2-CD 3.95Å; L729-K750 HydrophobicContact CG-CD 3.91Å
730	S	93.8	Very high	90.3	Very high	78 Å²	78	32.8 Å²	32.8	55%	0.545	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	135.9	175.9	-50.5	0	0	0	0	109.8	C719 N720	C719-S730 CarbonylContact O-C 3.55Å; C719-S730 WeakPolarHBondContact O-CA 3.37Å; N720-S730 WeakPolarHBondContact OD1-CB 3.44Å; N720-S730 PolarHBondContact OD1-OG 2.92Å
731	V	94.9	Very high	90.1	Very high	30 Å²	30	35.1 Å²	35.1	18%	0.182	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	138.3	177	-177.6	0	0	0	0	109.6	I718 C719 A743	I718-V731 CarbonylContact C-O 3.55Å; I718-V731 WeakPolarHBondContact CA-O 3.46Å; C719-V731 PolarHBondContact N-O 3.32Å; C719-V731 PolarHBondContact O-N 3.01Å; V731-A743 HydrophobicContact CB-CB 4.38Å; V731-A743 HydrophobicContact CG2-CB 4.24Å
732	E	93.5	Very high	90.1	Very high	84 Å²	84	37.6 Å²	37.6	39%	0.393	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	136.8	179.9	-164.5	-175	169.8	0	0	110.4	Q711 Q716 I717 I718	Q711-E732 PolarHBondContact OE1-OE1 2.82Å; Q716-E732 HydrophobicContact CB-CG 3.65Å; Q716-E732 WeakPolarHBondContact CB-OE1 3.45Å; Q716-E732 VanDerWaalsContact CD-CD 3.5Å; Q716-E732 HydrophobicContact CG-CG 4.34Å; Q716-E732 WeakPolarHBondContact CG-OE1 3.36Å; Q716-E732 PolarHBondContact NE2-OE1 3.48Å; Q716-E732 VanDerWaalsContact OE1-CD 3.31Å; Q716-E732 VanDerWaalsContact OE1-CG 3.28Å; Q716-E732 PolarHBondContact OE1-OE1 2.85Å; Q716-E732 VanDerWaalsContact OE1-OE1 3.13Å; I717-E732 WeakPolarHBondContact O-CA 3.46Å; I718-E732 HydrophobicContact CG1-CB 4.35Å; I718-E732 HydrophobicContact CG1-CG 4Å
733	S	92.4	Very high	90.3	Very high	8 Å²	8	37.4 Å²	37.4	6%	0.056	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.2	154.8	-179.3	167.7	0	0	0	0	110.9	I717 D735 D738 A739	I717-S733 PolarHBondContact N-O 3.42Å; I717-S733 PolarHBondContact O-N 3.34Å; S733-D735 VanDerWaalsContact C-N 3.29Å; S733-D735 PolarHBondContact O-N 2.85Å; S733-D735 PolarHBondContact OG-N 3.41Å; S733-D735 PolarHBondContact OG-O 2.82Å; S733-D735 VanDerWaalsContact OG-O 3.07Å; S733-D738 WeakPolarHBondContact OG-CB 2.96Å; S733-A739 PolarHBondContact OG-N 3.22Å
734	P	87.1	Confident	90.5	Very high	94 Å²	94	37.4 Å²	37.4	61%	0.61	21%	0.206	S	C	*	.	S	Bend	trans	-69.4	-20.2	175	28.6	-37.2	0	0	0	114.8
735	D	87	Confident	90.9	Very high	7 Å²	7	38.6 Å²	38.6	4%	0.037	21%	0.214	C	C	.	.	S	Bend	trans	-137.6	160.1	179.5	72.4	57.5	0	0	0	113.5	N541 S733 H737 D738 A739	N541-D735 PolarHBondContact ND2-OD2 3.22Å; S733-D735 VanDerWaalsContact C-N 3.29Å; S733-D735 PolarHBondContact O-N 2.85Å; S733-D735 PolarHBondContact OG-N 3.41Å; S733-D735 PolarHBondContact OG-O 2.82Å; S733-D735 VanDerWaalsContact OG-O 3.07Å; D735-H737 PolarHBondContact O-N 3.38Å; D735-H737 PolarHBondContact OD1-N 3.19Å; D735-H737 VanDerWaalsContact OD1-N 3.16Å; D735-D738 VanDerWaalsContact OD1-CB 3.31Å; D735-D738 WeakPolarHBondContact OD1-CB 3.49Å; D735-D738 PolarHBondContact OD1-N 2.82Å; D735-A739 VanDerWaalsContact O-CB 3.25Å; D735-A739 WeakPolarHBondContact O-CB 3.43Å; D735-A739 PolarHBondContact O-N 2.93Å
736	L	92	Very high	91.4	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-63.9	-41.2	-174.3	-76	172.1	0	0	0	113	I528 F539 L567 L583 F708 I717 A739 Q740	I528-L736 HydrophobicContact CD1-CD1 3.56Å; F539-L736 HydrophobicContact CB-CD1 3.71Å; F539-L736 HydrophobicContact CD1-CD1 4.21Å; F539-L736 HydrophobicContact CG-CD1 4.4Å; L567-L736 HydrophobicContact CD1-CD1 4.41Å; L567-L736 HydrophobicContact CD1-CD2 4.49Å; L583-L736 HydrophobicContact CD2-CD1 4.31Å; F708-L736 HydrophobicContact CB-CD2 3.96Å; F708-L736 HydrophobicContact CD1-CD2 3.41Å; F708-L736 VanDerWaalsContact CD1-CD2 3.41Å; F708-L736 HydrophobicContact CD2-CD2 4.25Å; F708-L736 HydrophobicContact CE1-CD2 3.88Å; F708-L736 HydrophobicContact CG-CD2 3.61Å; F708-L736 HydrophobicContact CZ-CD2 4.49Å; I717-L736 HydrophobicContact CD1-CD2 3.98Å; I717-L736 HydrophobicContact CD1-CG 3.81Å; I717-L736 HydrophobicContact CG2-CD2 3.88Å; L736-A739 PolarHBondContact O-N 3.09Å; L736-Q740 WeakPolarHBondContact O-CB 3.5Å; L736-Q740 PolarHBondContact O-N 3.42Å
737	H	90.9	Very high	91.9	Very high	68 Å²	68	36.1 Å²	36.1	32%	0.315	21%	0.207	S	C	.	.	H	α-helix	trans	-66.2	-48.8	-174.8	175.8	-87.4	0	0	0	110.2	I564 D735 A739 Q740 Q741	I564-H737 HydrophobicContact CD1-CB 3.98Å; D735-H737 PolarHBondContact O-N 3.38Å; D735-H737 PolarHBondContact OD1-N 3.19Å; D735-H737 VanDerWaalsContact OD1-N 3.16Å; H737-A739 VanDerWaalsContact C-N 3.33Å; H737-Q740 PolarHBondContact O-N 3.4Å; H737-Q741 WeakPolarHBondContact O-CB 3.37Å; H737-Q741 VanDerWaalsContact O-CG 3.3Å; H737-Q741 WeakPolarHBondContact O-CG 3.39Å; H737-Q741 PolarHBondContact O-N 2.94Å
738	D	91.3	Very high	92.2	Very high	64 Å²	64	33.6 Å²	33.6	34%	0.342	20%	0.197	S	C	.	.	H	α-helix	trans	-70.2	-33.6	-179.8	-70.6	-2.5	0	0	0	111.2	S733 D735 S742	S733-D738 WeakPolarHBondContact OG-CB 2.96Å; D735-D738 VanDerWaalsContact OD1-CB 3.31Å; D735-D738 WeakPolarHBondContact OD1-CB 3.49Å; D735-D738 PolarHBondContact OD1-N 2.82Å; D738-S742 WeakPolarHBondContact O-CB 3.26Å; D738-S742 PolarHBondContact O-N 3.13Å; D738-S742 PolarHBondContact O-OG 2.62Å
739	A	93.2	Very high	92.5	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-59.8	-51	172.1	0	0	0	0	0	110.6	F708 C719 S733 D735 L736 H737 S742 A743	F708-A739 HydrophobicContact CE1-CB 4.41Å; C719-A739 HydrophobicContact CB-CB 3.68Å; S733-A739 PolarHBondContact OG-N 3.22Å; D735-A739 VanDerWaalsContact O-CB 3.25Å; D735-A739 WeakPolarHBondContact O-CB 3.43Å; D735-A739 PolarHBondContact O-N 2.93Å; L736-A739 PolarHBondContact O-N 3.09Å; H737-A739 VanDerWaalsContact C-N 3.33Å; A739-S742 PolarHBondContact O-N 3.46Å; A739-A743 WeakPolarHBondContact O-CB 3.13Å; A739-A743 PolarHBondContact O-N 2.86Å
740	Q	93.5	Very high	92.5	Very high	11 Å²	11	37.8 Å²	37.8	5%	0.051	21%	0.214	C	C	.	.	H	α-helix	trans	-66.3	-45.9	-178.1	-168.6	-167.6	35.6	0	0	111.8	F562 F706 F708 L736 H737 S742 A743 M744	F562-Q740 PolarHBondContact O-NE2 3.16Å; F706-Q740 HydrophobicContact CD1-CG 4.42Å; F706-Q740 HydrophobicContact CG-CG 4.43Å; F708-Q740 HydrophobicContact CE1-CB 4.13Å; F708-Q740 HydrophobicContact CZ-CB 4.08Å; F708-Q740 HydrophobicContact CZ-CG 4.23Å; L736-Q740 WeakPolarHBondContact O-CB 3.5Å; L736-Q740 PolarHBondContact O-N 3.42Å; H737-Q740 PolarHBondContact O-N 3.4Å; Q740-S742 VanDerWaalsContact C-N 3.34Å; Q740-S742 PolarHBondContact O-N 2.95Å; Q740-A743 PolarHBondContact O-N 3.49Å; Q740-M744 HydrophobicContact CG-CE 4.14Å; Q740-M744 WeakPolarHBondContact O-CB 3.26Å; Q740-M744 WeakPolarHBondContact O-CG 3.2Å; Q740-M744 PolarHBondContact O-N 3.04Å
741	Q	92.1	Very high	92.4	Very high	52 Å²	52	34.1 Å²	34.1	24%	0.243	19%	0.188	C	C	.	.	H	α-helix	trans	-60.3	-44.5	177.8	-73.9	-63.7	-24.8	0	0	111.7	H737 M744 S745	H737-Q741 WeakPolarHBondContact O-CB 3.37Å; H737-Q741 VanDerWaalsContact O-CG 3.3Å; H737-Q741 WeakPolarHBondContact O-CG 3.39Å; H737-Q741 PolarHBondContact O-N 2.94Å; Q741-M744 VanDerWaalsContact CD-CE 3.49Å; Q741-M744 HydrophobicContact CG-CE 4.33Å; Q741-M744 PolarHBondContact O-N 2.89Å; Q741-S745 WeakPolarHBondContact O-CB 3.16Å; Q741-S745 PolarHBondContact O-N 3.22Å
742	S	93	Very high	92.2	Very high	52 Å²	52	34.1 Å²	34.1	36%	0.364	19%	0.19	S	C	.	.	H	α-helix	trans	-67.3	-38.4	177.9	-57.7	0	0	0	0	112	D738 A739 Q740 S745 S746	D738-S742 WeakPolarHBondContact O-CB 3.26Å; D738-S742 PolarHBondContact O-N 3.13Å; D738-S742 PolarHBondContact O-OG 2.62Å; A739-S742 PolarHBondContact O-N 3.46Å; Q740-S742 VanDerWaalsContact C-N 3.34Å; Q740-S742 PolarHBondContact O-N 2.95Å; S742-S745 PolarHBondContact O-N 3.44Å; S742-S746 VanDerWaalsContact O-CB 3.31Å; S742-S746 WeakPolarHBondContact O-CB 3.39Å; S742-S746 PolarHBondContact O-N 3.13Å; S742-S746 PolarHBondContact O-OG 2.8Å
743	A	95.3	Very high	91.9	Very high	0 Å²	0	33 Å²	33	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-65.1	-46.4	175.9	0	0	0	0	0	111.6	C719 T721 V731 A739 Q740 S745 S746 L747	C719-A743 HydrophobicContact CB-CB 4.07Å; T721-A743 HydrophobicContact CG2-CB 3.68Å; V731-A743 HydrophobicContact CB-CB 4.38Å; V731-A743 HydrophobicContact CG2-CB 4.24Å; A739-A743 WeakPolarHBondContact O-CB 3.13Å; A739-A743 PolarHBondContact O-N 2.86Å; Q740-A743 PolarHBondContact O-N 3.49Å; A743-S745 VanDerWaalsContact C-N 3.34Å; A743-S745 PolarHBondContact O-N 3.34Å; A743-S746 PolarHBondContact O-N 2.88Å; A743-L747 VanDerWaalsContact O-CB 3.32Å; A743-L747 WeakPolarHBondContact O-CB 3.36Å; A743-L747 PolarHBondContact O-N 2.89Å
744	M	94.6	Very high	91.7	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-58.6	-45.5	173.8	-75.8	-169.2	-68	0	0	111.5	F562 L689 E690 L693 F706 Q740 Q741 S746 L747 L748	F562-M744 HydrophobicContact CD2-SD 3.82Å; F562-M744 HydrophobicContact CE2-SD 4.29Å; L689-M744 HydrophobicContact CD1-CB 4.26Å; L689-M744 HydrophobicContact CD2-CB 3.49Å; L689-M744 VanDerWaalsContact CD2-CB 3.49Å; L689-M744 HydrophobicContact CG-CB 3.73Å; E690-M744 HydrophobicContact CB-SD 4.2Å; L693-M744 HydrophobicContact CD1-CB 3.79Å; L693-M744 HydrophobicContact CD1-CG 3.83Å; L693-M744 HydrophobicContact CD1-SD 4.34Å; F706-M744 HydrophobicContact CE1-CG 3.76Å; F706-M744 HydrophobicContact CE2-CG 4.38Å; F706-M744 HydrophobicContact CZ-CG 3.44Å; F706-M744 VanDerWaalsContact CZ-CG 3.44Å; F706-M744 HydrophobicContact CZ-SD 4.26Å; Q740-M744 HydrophobicContact CG-CE 4.14Å; Q740-M744 WeakPolarHBondContact O-CB 3.26Å; Q740-M744 WeakPolarHBondContact O-CG 3.2Å; Q740-M744 PolarHBondContact O-N 3.04Å; Q741-M744 VanDerWaalsContact CD-CE 3.49Å; Q741-M744 HydrophobicContact CG-CE 4.33Å; Q741-M744 PolarHBondContact O-N 2.89Å; M744-S746 PolarHBondContact O-N 2.88Å; M744-L747 PolarHBondContact O-N 3.01Å; M744-L748 PolarHBondContact O-N 2.93Å
745	S	93.8	Very high	92.1	Very high	33 Å²	33	30 Å²	30	23%	0.231	18%	0.175	C	C	.	.	H	α-helix	trans	-65.7	-43.3	-178.4	-178.5	0	0	0	0	110.8	Q741 S742 A743 L747 L748 N749	Q741-S745 WeakPolarHBondContact O-CB 3.16Å; Q741-S745 PolarHBondContact O-N 3.22Å; S742-S745 PolarHBondContact O-N 3.44Å; A743-S745 VanDerWaalsContact C-N 3.34Å; A743-S745 PolarHBondContact O-N 3.34Å; S745-L747 VanDerWaalsContact C-N 3.33Å; S745-L747 PolarHBondContact O-N 3.49Å; S745-L748 PolarHBondContact O-N 2.9Å; S745-N749 WeakPolarHBondContact O-CB 3.41Å; S745-N749 PolarHBondContact O-N 3.25Å; S745-N749 PolarHBondContact O-ND2 3.05Å; S745-N749 VanDerWaalsContact O-ND2 3.12Å
746	S	93.4	Very high	92.4	Very high	46 Å²	46	29.7 Å²	29.7	32%	0.322	17%	0.173	S	C	.	.	H	α-helix	trans	-62.5	-40.5	175.7	-59.4	0	0	0	0	111.8	S742 A743 M744 K750	S742-S746 VanDerWaalsContact O-CB 3.31Å; S742-S746 WeakPolarHBondContact O-CB 3.39Å; S742-S746 PolarHBondContact O-N 3.13Å; S742-S746 PolarHBondContact O-OG 2.8Å; A743-S746 PolarHBondContact O-N 2.88Å; M744-S746 PolarHBondContact O-N 2.88Å; S746-K750 WeakPolarHBondContact O-CB 3.47Å; S746-K750 PolarHBondContact O-N 2.75Å
747	L	94.2	Very high	92.5	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-63.2	-50.4	176.4	-178.6	63.1	0	0	0	111.7	F668 L693 I704 T721 I723 C728 L729 A743 M744 S745 N749 K750 L751	F668-L747 HydrophobicContact CE2-CD1 4.16Å; L693-L747 HydrophobicContact CD1-CD2 4.4Å; L693-L747 HydrophobicContact CD2-CD2 4.15Å; L693-L747 HydrophobicContact CD2-CG 4.37Å; I704-L747 HydrophobicContact CD1-CD2 4.36Å; I704-L747 HydrophobicContact CG2-CD2 4.33Å; T721-L747 HydrophobicContact CG2-CB 4.27Å; T721-L747 HydrophobicContact CG2-CD2 4.39Å; I723-L747 HydrophobicContact CD1-CD1 3.87Å; I723-L747 HydrophobicContact CD1-CD2 4.45Å; C728-L747 HydrophobicContact CB-CD1 4.48Å; L729-L747 HydrophobicContact CD1-CB 4.31Å; L729-L747 HydrophobicContact CD1-CD1 4.37Å; A743-L747 VanDerWaalsContact O-CB 3.32Å; A743-L747 WeakPolarHBondContact O-CB 3.36Å; A743-L747 PolarHBondContact O-N 2.89Å; M744-L747 PolarHBondContact O-N 3.01Å; S745-L747 VanDerWaalsContact C-N 3.33Å; S745-L747 PolarHBondContact O-N 3.49Å; L747-N749 VanDerWaalsContact C-N 3.31Å; L747-N749 PolarHBondContact O-N 2.9Å; L747-K750 PolarHBondContact O-N 3.45Å; L747-L751 HydrophobicContact CD1-CD1 4.29Å; L747-L751 HydrophobicContact CD1-CG 4.37Å; L747-L751 HydrophobicContact CG-CD1 3.96Å; L747-L751 HydrophobicContact CG-CG 4.47Å; L747-L751 VanDerWaalsContact O-CG 3.32Å; L747-L751 WeakPolarHBondContact O-CG 3.22Å; L747-L751 PolarHBondContact O-N 2.87Å
748	L	93.4	Very high	92.6	Very high	4 Å²	4	26.7 Å²	26.7	2%	0.021	16%	0.159	C	C	.	.	H	α-helix	trans	-63	-39.8	179.3	-175.3	60.2	0	0	0	111.5	I673 L683 L689 I692 L693 M744 S745 K750 L751 C752	I673-L748 HydrophobicContact CD1-CD1 4.22Å; I673-L748 HydrophobicContact CG1-CD1 4.47Å; L683-L748 VanDerWaalsContact O-CD2 3.29Å; L683-L748 WeakPolarHBondContact O-CD2 3.49Å; L689-L748 HydrophobicContact CD1-CB 3.61Å; L689-L748 HydrophobicContact CD1-CD2 3.47Å; L689-L748 VanDerWaalsContact CD1-CD2 3.47Å; L689-L748 HydrophobicContact CD1-CG 4.17Å; I692-L748 HydrophobicContact CG2-CD1 3.99Å; I692-L748 HydrophobicContact CG2-CD2 4.36Å; L693-L748 HydrophobicContact CD2-CB 4.29Å; L693-L748 HydrophobicContact CD2-CD1 4.28Å; M744-L748 PolarHBondContact O-N 2.93Å; S745-L748 PolarHBondContact O-N 2.9Å; L748-K750 VanDerWaalsContact C-N 3.35Å; L748-K750 PolarHBondContact O-N 2.79Å; L748-L751 PolarHBondContact O-N 3.3Å; L748-C752 WeakPolarHBondContact O-CB 3.39Å; L748-C752 PolarHBondContact O-N 3.5Å; L748-C752 PolarHBondContact O-SG 3.42Å
749	N	92	Very high	92.5	Very high	82 Å²	82	23.7 Å²	23.7	44%	0.439	14%	0.143	S	C	.	.	H	α-helix	trans	-61.7	-41.9	175.3	-74.1	-29.1	0	0	0	112.2	S745 L747 C752 A753	S745-N749 WeakPolarHBondContact O-CB 3.41Å; S745-N749 PolarHBondContact O-N 3.25Å; S745-N749 PolarHBondContact O-ND2 3.05Å; S745-N749 VanDerWaalsContact O-ND2 3.12Å; L747-N749 VanDerWaalsContact C-N 3.31Å; L747-N749 PolarHBondContact O-N 2.9Å; N749-C752 PolarHBondContact O-N 2.88Å; N749-A753 PolarHBondContact O-N 2.76Å
750	K	91	Very high	92	Very high	80 Å²	80	24.4 Å²	24.4	35%	0.348	15%	0.147	S	C	.	.	H	α-helix	trans	-63.8	-45.8	174.8	-175.1	-177.5	-176.1	-173.4	0	111.1	F668 C728 L729 S746 L747 L748 C752 A753	F668-K750 HydrophobicContact CZ-CD 4.18Å; F668-K750 HydrophobicContact CZ-CG 4.28Å; C728-K750 PolarHBondContact O-NZ 3.23Å; C728-K750 VanDerWaalsContact O-NZ 3.09Å; L729-K750 HydrophobicContact CD1-CB 4.12Å; L729-K750 HydrophobicContact CD1-CD 3.86Å; L729-K750 HydrophobicContact CD2-CD 3.95Å; L729-K750 HydrophobicContact CG-CD 3.91Å; S746-K750 WeakPolarHBondContact O-CB 3.47Å; S746-K750 PolarHBondContact O-N 2.75Å; L747-K750 PolarHBondContact O-N 3.45Å; L748-K750 VanDerWaalsContact C-N 3.35Å; L748-K750 PolarHBondContact O-N 2.79Å; K750-C752 PolarHBondContact O-N 3.06Å; K750-A753 PolarHBondContact O-N 3.27Å
751	L	92.3	Very high	91	Very high	1 Å²	1	27.5 Å²	27.5	1%	0.005	16%	0.163	C	C	.	.	H	α-helix	trans	-61.7	-42.3	177.9	-70.7	167.9	0	0	0	111.4	F668 M671 I673 L693 L747 L748 A753 T754 Q755	F668-L751 HydrophobicContact CD2-CD2 4.41Å; F668-L751 HydrophobicContact CE1-CD2 4.05Å; F668-L751 HydrophobicContact CE2-CD2 3.46Å; F668-L751 VanDerWaalsContact CE2-CD2 3.46Å; F668-L751 HydrophobicContact CE2-CG 4.2Å; F668-L751 HydrophobicContact CZ-CD2 3.24Å; F668-L751 HydrophobicContact CZ-CG 3.94Å; M671-L751 HydrophobicContact CB-CD2 4.15Å; M671-L751 HydrophobicContact CG-CD1 4.5Å; M671-L751 HydrophobicContact CG-CD2 3.87Å; I673-L751 HydrophobicContact CD1-CB 3.87Å; I673-L751 HydrophobicContact CG1-CB 4.12Å; L693-L751 HydrophobicContact CD2-CD1 3.9Å; L747-L751 HydrophobicContact CD1-CD1 4.29Å; L747-L751 HydrophobicContact CD1-CG 4.37Å; L747-L751 HydrophobicContact CG-CD1 3.96Å; L747-L751 HydrophobicContact CG-CG 4.47Å; L747-L751 VanDerWaalsContact O-CG 3.32Å; L747-L751 WeakPolarHBondContact O-CG 3.22Å; L747-L751 PolarHBondContact O-N 2.87Å; L748-L751 PolarHBondContact O-N 3.3Å; L751-A753 PolarHBondContact O-N 2.88Å; L751-A753 VanDerWaalsContact O-N 3.16Å; L751-T754 PolarHBondContact O-N 3.48Å; L751-T754 VanDerWaalsContact O-N 3.16Å; L751-Q755 HydrophobicContact CB-CG 4.23Å; L751-Q755 HydrophobicContact CD2-CG 3.57Å; L751-Q755 WeakPolarHBondContact O-CA 3.5Å; L751-Q755 VanDerWaalsContact O-CB 3.26Å; L751-Q755 WeakPolarHBondContact O-CB 3.5Å; L751-Q755 WeakPolarHBondContact O-CG 3.45Å; L751-Q755 PolarHBondContact O-N 2.89Å
752	C	90.8	Very high	89.5	Confident	31 Å²	31	31 Å²	31	21%	0.209	18%	0.178	C	C	.	.	H	α-helix	trans	-62.7	-23.2	179.2	-71	0	0	0	0	113.2	I673 L748 N749 K750	I673-C752 HydrophobicContact CD1-CB 4.34Å; L748-C752 WeakPolarHBondContact O-CB 3.39Å; L748-C752 PolarHBondContact O-N 3.5Å; L748-C752 PolarHBondContact O-SG 3.42Å; N749-C752 PolarHBondContact O-N 2.88Å; K750-C752 PolarHBondContact O-N 3.06Å
753	A	87.1	Confident	87.5	Confident	59 Å²	59	32.4 Å²	32.4	49%	0.488	19%	0.187	S	C	.	.	H	α-helix	trans	-81.1	-26.3	178.6	0	0	0	0	0	113.1	N749 K750 L751	N749-A753 PolarHBondContact O-N 2.76Å; K750-A753 PolarHBondContact O-N 3.27Å; L751-A753 PolarHBondContact O-N 2.88Å; L751-A753 VanDerWaalsContact O-N 3.16Å
754	T	88.6	Confident	85	Confident	40 Å²	40	43.1 Å²	43.1	25%	0.245	23%	0.228	C	C	.	.	H	α-helix	trans	-119.7	-28.7	-171.8	62.4	0	0	0	0	113.5	L751 D931 L932	L751-T754 PolarHBondContact O-N 3.48Å; L751-T754 VanDerWaalsContact O-N 3.16Å; T754-D931 CarbonylContact O-C 3.35Å; T754-D931 VanDerWaalsContact O-C 3.32Å; T754-D931 PolarHBondContact O-N 2.81Å; T754-L932 PolarHBondContact O-N 3Å
755	Q	93.8	Very high	82.5	Confident	1 Å²	1	51.9 Å²	51.9	1%	0.005	27%	0.269	C	S	.	.	S	Bend	trans	-99.3	145.9	-167.2	-54.5	-50.6	-26.9	0	0	113.1	D669 M671 I673 L751	D669-Q755 PolarHBondContact O-OE1 2.64Å; D669-Q755 VanDerWaalsContact O-OE1 3.09Å; M671-Q755 VanDerWaalsContact O-CB 3.25Å; M671-Q755 WeakPolarHBondContact O-CB 3.37Å; M671-Q755 VanDerWaalsContact O-CD 3.27Å; M671-Q755 WeakPolarHBondContact O-CG 3.29Å; M671-Q755 PolarHBondContact O-OE1 2.98Å; I673-Q755 HydrophobicContact CG1-CB 4.48Å; L751-Q755 HydrophobicContact CB-CG 4.23Å; L751-Q755 HydrophobicContact CD2-CG 3.57Å; L751-Q755 WeakPolarHBondContact O-CA 3.5Å; L751-Q755 VanDerWaalsContact O-CB 3.26Å; L751-Q755 WeakPolarHBondContact O-CB 3.5Å; L751-Q755 WeakPolarHBondContact O-CG 3.45Å; L751-Q755 PolarHBondContact O-N 2.89Å
756	P	94.6	Very high	80.2	Confident	0 Å²	0	56 Å²	56	0%	0	28%	0.284	C	S	.	.			trans	-64.9	149.4	171.4	-15.5	28.7	0	0	0	111.7	W672 I673 L926 D928 K929 L932	W672-P756 HydrophobicContact CD2-CB 3.91Å; W672-P756 HydrophobicContact CD2-CG 3.92Å; W672-P756 HydrophobicContact CE3-CB 3.98Å; W672-P756 HydrophobicContact CE3-CG 4.41Å; W672-P756 HydrophobicContact CG-CB 4.46Å; W672-P756 HydrophobicContact CG-CG 4.35Å; W672-P756 HydrophobicContact CH2-CB 4.23Å; W672-P756 HydrophobicContact CH2-CG 4.24Å; W672-P756 HydrophobicContact CZ2-CB 4.18Å; W672-P756 HydrophobicContact CZ2-CG 3.73Å; W672-P756 HydrophobicContact CZ3-CB 4.13Å; I673-P756 PolarHBondContact N-O 2.64Å; P756-L926 HydrophobicContact CB-CD1 3.91Å; P756-D928 CarbonylContact C-O 3.38Å; P756-D928 VanDerWaalsContact CA-O 3.32Å; P756-D928 WeakPolarHBondContact CA-O 3.41Å; P756-K929 VanDerWaalsContact CG-O 3.3Å; P756-K929 WeakPolarHBondContact CG-O 3.41Å; P756-L932 HydrophobicContact CG-CD1 3.93Å; P756-L932 HydrophobicContact CG-CD2 4.19Å; P756-L932 HydrophobicContact CG-CG 4.13Å
757	V	94.2	Very high	77.9	Confident	4 Å²	4	63 Å²	63	2%	0.024	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	122.8	179.4	-175.5	0	0	0	0	109.4	I673 L675 L683 I927 D928	I673-V757 HydrophobicContact CB-CG1 4.45Å; I673-V757 HydrophobicContact CB-CG2 4.16Å; I673-V757 HydrophobicContact CD1-CG2 4.13Å; I673-V757 HydrophobicContact CG2-CG1 4.22Å; I673-V757 CarbonylContact O-C 3.58Å; I673-V757 WeakPolarHBondContact O-CA 3.26Å; L675-V757 HydrophobicContact CD1-CG1 3.78Å; L675-V757 HydrophobicContact CG-CG1 4.15Å; L683-V757 HydrophobicContact CD1-CG1 4.3Å; L683-V757 HydrophobicContact CD1-CG2 4.45Å; V757-I927 HydrophobicContact CB-CB 4.25Å; V757-I927 HydrophobicContact CG1-CB 4.1Å; V757-I927 HydrophobicContact CG1-CD1 4.09Å; V757-I927 HydrophobicContact CG1-CG2 4.42Å; V757-I927 WeakPolarHBondContact O-CB 3.26Å; V757-I927 PolarHBondContact O-N 3.41Å; V757-D928 HydrophobicContact CB-CB 3.82Å; V757-D928 HydrophobicContact CG2-CB 3.84Å; V757-D928 PolarHBondContact N-O 2.97Å; V757-D928 PolarHBondContact O-N 3.01Å
758	V	92.1	Very high	75.9	Confident	0 Å²	0	66 Å²	66	0%	0	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	135.6	179.1	179.3	0	0	0	0	110.2	W672 I673 Y674 L675 F699 L915 F924 Y925 L926	W672-V758 HydrophobicContact CE3-CG2 3.46Å; W672-V758 VanDerWaalsContact CE3-CG2 3.46Å; W672-V758 HydrophobicContact CZ3-CG2 3.79Å; I673-V758 PolarHBondContact O-N 3.42Å; Y674-V758 WeakPolarHBondContact CA-O 3.03Å; Y674-V758 HydrophobicContact CD2-CB 4.27Å; Y674-V758 HydrophobicContact CD2-CG1 4.14Å; Y674-V758 HydrophobicContact CE2-CG1 4.46Å; L675-V758 PolarHBondContact N-O 3.33Å; F699-V758 HydrophobicContact CE1-CG2 4.34Å; F699-V758 HydrophobicContact CZ-CB 4.48Å; F699-V758 HydrophobicContact CZ-CG1 4.3Å; F699-V758 HydrophobicContact CZ-CG2 4.34Å; V758-L915 HydrophobicContact CG1-CD1 4.38Å; V758-L915 HydrophobicContact CG2-CD1 4.36Å; V758-F924 HydrophobicContact CG1-CB 4.02Å; V758-F924 HydrophobicContact CG1-CD1 3.8Å; V758-F924 HydrophobicContact CG1-CG 4.34Å; V758-Y925 WeakPolarHBondContact CA-O 3.48Å; V758-L926 HydrophobicContact CG2-CD1 3.96Å
759	G	88.9	Confident	73.6	Confident	1 Å²	1	74.4 Å²	74.4	1%	0.01	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	177.4	172.6	0	0	0	0	0	112.7	F924 Y925	G759-F924 WeakPolarHBondContact O-CA 3.43Å; G759-Y925 VanDerWaalsContact C-CD1 3.48Å; G759-Y925 PolarHBondContact N-O 2.71Å; G759-Y925 WeakPolarHBondContact O-CD1 3.39Å; G759-Y925 PolarHBondContact O-N 3.13Å
760	L	83.3	Confident	71.4	Confident	15 Å²	15	78 Å²	78	8%	0.079	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	132.4	173.4	-69.3	-179.7	0	0	0	112.7	Y674 R677 F762 I779 C923 F924 Y925	Y674-L760 HydrophobicContact CE2-CD2 4.18Å; Y674-L760 HydrophobicContact CE2-CG 4.24Å; Y674-L760 WeakPolarHBondContact OH-CD1 3.38Å; Y674-L760 VanDerWaalsContact OH-CD2 3.25Å; Y674-L760 WeakPolarHBondContact OH-CD2 3.47Å; Y674-L760 VanDerWaalsContact OH-CG 3.28Å; Y674-L760 WeakPolarHBondContact OH-CG 3.06Å; R677-L760 HydrophobicContact CG-CD1 4.2Å; L760-F762 PolarHBondContact O-N 3.39Å; L760-F762 VanDerWaalsContact O-N 3.11Å; L760-I779 HydrophobicContact CD1-CD1 4.36Å; L760-I779 HydrophobicContact CD1-CG1 3.8Å; L760-I779 HydrophobicContact CD2-CD1 3.47Å; L760-I779 VanDerWaalsContact CD2-CD1 3.47Å; L760-I779 HydrophobicContact CD2-CG1 3.87Å; L760-I779 HydrophobicContact CG-CG1 4.49Å; L760-C923 WeakPolarHBondContact CA-O 3.23Å; L760-F924 HydrophobicContact CD2-CD1 3.98Å; L760-F924 HydrophobicContact CD2-CE1 3.86Å; L760-F924 HydrophobicContact CD2-CZ 4.43Å; L760-Y925 WeakPolarHBondContact O-CE1 3.45Å
761	I	72.3	Confident	69.3	Low	76 Å²	76	78.3 Å²	78.3	39%	0.39	39%	0.389	S	S	.	.			trans	-65.4	112	171.2	-59.1	178.9	0	0	0	107.4	S763 G922 C923 Y925	I761-S763 PolarHBondContact O-N 3.19Å; I761-G922 WeakPolarHBondContact CD1-O 3.44Å; I761-C923 PolarHBondContact N-O 3.32Å; I761-Y925 HydrophobicContact CG1-CD1 3.84Å; I761-Y925 HydrophobicContact CG1-CG 4.28Å
762	F	60.2	Low	67.1	Low	126 Å²	126	85 Å²	85	55%	0.553	43%	0.43	S	S	*	.			trans	-73.4	104.8	174.6	-72.4	-86.3	0	0	0	109.7	R677 L760 R764	R677-F762 HydrophobicContact CB-CE1 4.17Å; R677-F762 HydrophobicContact CB-CZ 4.33Å; L760-F762 PolarHBondContact O-N 3.39Å; L760-F762 VanDerWaalsContact O-N 3.11Å; F762-R764 VanDerWaalsContact C-N 3.33Å; F762-R764 PolarHBondContact O-N 2.67Å
763	S	51.9	Low	65.2	Low	81 Å²	81	85.2 Å²	85.2	57%	0.566	43%	0.431	S	S	*	.			trans	-75	93.6	150.3	33.4	0	0	0	0	107.2	I761 E765	I761-S763 PolarHBondContact O-N 3.19Å; S763-E765 VanDerWaalsContact C-N 3.3Å; S763-E765 PolarHBondContact O-N 2.96Å
764	R	41.9	Very low	63.9	Low	225 Å²	225	87.8 Å²	87.8	85%	0.849	45%	0.445	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	90.6	170.9	178.8	-169.5	-170.1	168	4.1	108	F762	F762-R764 VanDerWaalsContact C-N 3.33Å; F762-R764 PolarHBondContact O-N 2.67Å
765	E	43.1	Very low	62.6	Low	185 Å²	185	88.1 Å²	88.1	86%	0.864	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	169.9	-16.6	158.7	-94	140.6	-152.5	0	0	114.1	S763 E767	S763-E765 VanDerWaalsContact C-N 3.3Å; S763-E765 PolarHBondContact O-N 2.96Å; E765-E767 PolarHBondContact O-N 3.33Å
766	E	45.5	Very low	61.3	Low	118 Å²	118	89.9 Å²	89.9	55%	0.551	46%	0.458	S	S	*	.			trans	-96.6	82.8	176.5	-68.6	174.7	-175.7	0	0	109.2	F768	E766-F768 HydrophobicContact CB-CD1 4.11Å; E766-F768 HydrophobicContact CB-CE1 3.86Å; E766-F768 HydrophobicContact CB-CZ 4.2Å; E766-F768 WeakPolarHBondContact O-CD2 3.42Å; E766-F768 PolarHBondContact O-N 3.4Å; E766-F768 WeakPolarHBondContact OE2-CE1 3.02Å
767	E	45.8	Very low	60	Low	193 Å²	193	90.5 Å²	90.5	90%	0.902	46%	0.46	S	S	*	.			trans	-56.6	92.9	146.4	-78.1	-179.7	179.4	0	0	104.9	E765 E769	E765-E767 PolarHBondContact O-N 3.33Å; E767-E769 PolarHBondContact O-N 3.22Å
768	F	51.2	Low	58.8	Low	64 Å²	64	91.2 Å²	91.2	28%	0.281	47%	0.469	S	S	.	.			trans	-54.3	109.1	173.4	-60	-68.5	0	0	0	105.3	E766 D770 P780 V783	E766-F768 HydrophobicContact CB-CD1 4.11Å; E766-F768 HydrophobicContact CB-CE1 3.86Å; E766-F768 HydrophobicContact CB-CZ 4.2Å; E766-F768 WeakPolarHBondContact O-CD2 3.42Å; E766-F768 PolarHBondContact O-N 3.4Å; E766-F768 WeakPolarHBondContact OE2-CE1 3.02Å; F768-D770 PolarHBondContact O-N 3.15Å; F768-P780 HydrophobicContact CB-CG 4.02Å; F768-P780 HydrophobicContact CD1-CB 4.47Å; F768-P780 HydrophobicContact CD1-CG 3.36Å; F768-P780 HydrophobicContact CD2-CG 3.76Å; F768-P780 HydrophobicContact CE1-CG 3.62Å; F768-P780 HydrophobicContact CE2-CG 4Å; F768-P780 HydrophobicContact CG-CG 3.41Å; F768-P780 VanDerWaalsContact CG-CG 3.41Å; F768-P780 HydrophobicContact CZ-CG 3.92Å; F768-V783 HydrophobicContact CE1-CG2 4.05Å; F768-V783 HydrophobicContact CZ-CG2 4.22Å
769	E	45.7	Very low	57.9	Low	181 Å²	181	91.6 Å²	91.6	85%	0.846	47%	0.471	S	S	*	.			trans	-45.9	133.9	168	-77.1	-164.1	160.1	0	0	105.8	E767 D771	E767-E769 PolarHBondContact O-N 3.22Å; E769-D771 PolarHBondContact O-N 3.26Å
770	D	45.4	Very low	57.2	Low	157 Å²	157	91.8 Å²	91.8	84%	0.84	47%	0.472	S	S	*	.			trans	-55.6	76.9	-172.9	-156.4	20.2	0	0	0	108.8	F768 T772	F768-D770 PolarHBondContact O-N 3.15Å; D770-T772 VanDerWaalsContact C-N 3.28Å; D770-T772 PolarHBondContact O-N 3.02Å
771	D	45.7	Very low	57	Low	87 Å²	87	92.1 Å²	92.1	47%	0.465	47%	0.473	S	S	.	.			trans	-67.3	105.1	179.7	-157.1	-11	0	0	0	100.5	E769 T773	E769-D771 PolarHBondContact O-N 3.26Å; D771-T773 VanDerWaalsContact CG-OG1 3.29Å; D771-T773 CarbonylContact O-C 3.21Å; D771-T773 WeakPolarHBondContact O-CA 3.45Å; D771-T773 PolarHBondContact O-N 3.04Å; D771-T773 PolarHBondContact OD1-OG1 3.28Å
772	T	47.5	Very low	57.3	Low	140 Å²	140	91.4 Å²	91.4	86%	0.859	47%	0.468	S	S	*	.	S	Bend	trans	-51.2	-3.9	-177	53.1	0	0	0	0	113.6	D770	D770-T772 VanDerWaalsContact C-N 3.28Å; D770-T772 PolarHBondContact O-N 3.02Å
773	T	51	Low	58.1	Low	37 Å²	37	86.4 Å²	86.4	23%	0.227	45%	0.448	C	S	.	.	S	Bend	trans	-80.2	110.8	167.1	61.1	0	0	0	0	112.3	D771 S775	D771-T773 VanDerWaalsContact CG-OG1 3.29Å; D771-T773 CarbonylContact O-C 3.21Å; D771-T773 WeakPolarHBondContact O-CA 3.45Å; D771-T773 PolarHBondContact O-N 3.04Å; D771-T773 PolarHBondContact OD1-OG1 3.28Å; T773-S775 PolarHBondContact O-N 3.18Å
774	S	58.8	Low	59.5	Low	112 Å²	112	82.5 Å²	82.5	78%	0.783	42%	0.421	S	S	*	.			trans	-40.9	111.5	177.7	-170.5	0	0	0	0	112.7	L776	S774-L776 PolarHBondContact O-N 3.42Å
775	S	62	Low	61.3	Low	47 Å²	47	72 Å²	72	33%	0.329	38%	0.381	S	S	.	.			trans	-70.2	112.1	179.5	-70.2	0	0	0	0	110.2	T773 W777 G778	T773-S775 PolarHBondContact O-N 3.18Å; S775-W777 PolarHBondContact O-N 3.1Å; S775-G778 PolarHBondContact O-N 2.99Å; S775-G778 VanDerWaalsContact O-N 3.11Å
776	L	65.6	Low	62.8	Low	38 Å²	38	67.7 Å²	67.7	20%	0.199	36%	0.361	C	S	.	.	B	Isolated β-bridge	trans	-65.3	126.8	175.7	-173.6	75	0	0	0	109.4	E698 S774 G778 I779 M784 R905	E698-L776 WeakPolarHBondContact OE1-CD1 3.41Å; S774-L776 PolarHBondContact O-N 3.42Å; L776-G778 PolarHBondContact O-N 3.06Å; L776-I779 PolarHBondContact N-O 3.11Å; L776-I779 PolarHBondContact O-N 3.43Å; L776-M784 HydrophobicContact CB-SD 3.77Å; L776-M784 HydrophobicContact CD2-CE 3.55Å; L776-M784 HydrophobicContact CD2-SD 3.74Å; L776-M784 HydrophobicContact CG-CE 4.39Å; L776-M784 HydrophobicContact CG-SD 4.11Å; L776-R905 VanDerWaalsContact CD2-NH2 3.33Å
777	W	67.7	Low	64.3	Low	13 Å²	13	63.6 Å²	63.6	5%	0.049	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	57.3	17.5	-173.7	-54.9	-30.1	0	0	0	114.8	Y674 A676 E698 F699 S775 I779 M784 L788 F924	Y674-W777 HydrophobicContact CE1-CB 3.63Å; Y674-W777 HydrophobicContact CE1-CG 4.25Å; Y674-W777 PolarHBondContact OH-O 3.19Å; Y674-W777 VanDerWaalsContact OH-O 3.06Å; A676-W777 WeakPolarHBondContact CB-O 3.49Å; E698-W777 VanDerWaalsContact OE1-CD1 3.28Å; F699-W777 HydrophobicContact CD2-CD2 4.33Å; F699-W777 HydrophobicContact CD2-CE3 4.39Å; F699-W777 HydrophobicContact CD2-CH2 4.39Å; F699-W777 HydrophobicContact CD2-CZ2 4.35Å; F699-W777 HydrophobicContact CD2-CZ3 4.41Å; S775-W777 PolarHBondContact O-N 3.1Å; W777-I779 VanDerWaalsContact C-N 3.27Å; W777-I779 HydrophobicContact CB-CD1 4.47Å; W777-I779 HydrophobicContact CB-CG1 4.48Å; W777-M784 HydrophobicContact CE3-CE 3.73Å; W777-M784 HydrophobicContact CE3-SD 4.42Å; W777-M784 HydrophobicContact CH2-CE 4.4Å; W777-M784 HydrophobicContact CZ3-CE 3.63Å; W777-L788 HydrophobicContact CE3-CD1 4.33Å; W777-L788 HydrophobicContact CZ3-CD1 3.61Å; W777-F924 HydrophobicContact CE3-CE1 4.27Å; W777-F924 AromaticContact CE3-CZ 3.81Å; W777-F924 HydrophobicContact CE3-CZ 3.81Å; W777-F924 AromaticContact CZ3-CZ 3.96Å; W777-F924 HydrophobicContact CZ3-CZ 3.96Å
778	G	69.2	Low	65.7	Low	20 Å²	20	54.7 Å²	54.7	21%	0.206	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	72.1	19.8	-172.1	0	0	0	0	0	113.8	R677 S775 L776	R677-G778 PolarHBondContact NE-O 3.01Å; R677-G778 PolarHBondContact NH2-O 3.41Å; S775-G778 PolarHBondContact O-N 2.99Å; S775-G778 VanDerWaalsContact O-N 3.11Å; L776-G778 PolarHBondContact O-N 3.06Å
779	I	72.5	Confident	66.8	Low	7 Å²	7	52 Å²	52	4%	0.036	29%	0.29	C	S	.	.	B	Isolated β-bridge	trans	-113.6	134	173.9	-48.4	171.9	0	0	0	108.3	L760 L776 W777 V783 M784 F924	L760-I779 HydrophobicContact CD1-CD1 4.36Å; L760-I779 HydrophobicContact CD1-CG1 3.8Å; L760-I779 HydrophobicContact CD2-CD1 3.47Å; L760-I779 VanDerWaalsContact CD2-CD1 3.47Å; L760-I779 HydrophobicContact CD2-CG1 3.87Å; L760-I779 HydrophobicContact CG-CG1 4.49Å; L776-I779 PolarHBondContact N-O 3.11Å; L776-I779 PolarHBondContact O-N 3.43Å; W777-I779 VanDerWaalsContact C-N 3.27Å; W777-I779 HydrophobicContact CB-CD1 4.47Å; W777-I779 HydrophobicContact CB-CG1 4.48Å; I779-V783 HydrophobicContact CG2-CB 3.77Å; I779-V783 HydrophobicContact CG2-CG1 3.83Å; I779-M784 HydrophobicContact CB-CG 4.04Å; I779-M784 HydrophobicContact CB-SD 4.41Å; I779-M784 HydrophobicContact CG2-CG 3.83Å; I779-F924 HydrophobicContact CD1-CE1 3.9Å; I779-F924 HydrophobicContact CD1-CE2 4.24Å; I779-F924 HydrophobicContact CD1-CZ 3.45Å; I779-F924 VanDerWaalsContact CD1-CZ 3.45Å
780	P	75.7	Confident	67.8	Low	6 Å²	6	46.1 Å²	46.1	4%	0.039	26%	0.26	C	S	.	.			trans	-60.9	141.8	171	-20.2	30.8	0	0	0	111.5	F768 H782 V783 M784	F768-P780 HydrophobicContact CB-CG 4.02Å; F768-P780 HydrophobicContact CD1-CB 4.47Å; F768-P780 HydrophobicContact CD1-CG 3.36Å; F768-P780 HydrophobicContact CD2-CG 3.76Å; F768-P780 HydrophobicContact CE1-CG 3.62Å; F768-P780 HydrophobicContact CE2-CG 4Å; F768-P780 HydrophobicContact CG-CG 3.41Å; F768-P780 VanDerWaalsContact CG-CG 3.41Å; F768-P780 HydrophobicContact CZ-CG 3.92Å; P780-H782 WeakPolarHBondContact CB-CE1 3.44Å; P780-H782 WeakPolarHBondContact CB-ND1 3.37Å; P780-H782 PolarHBondContact O-N 3.14Å; P780-H782 VanDerWaalsContact O-N 3.16Å; P780-V783 HydrophobicContact CB-CG2 4.32Å; P780-V783 HydrophobicContact CG-CG2 4.35Å; P780-V783 WeakPolarHBondContact O-CB 3.2Å; P780-V783 PolarHBondContact O-N 2.8Å; P780-M784 PolarHBondContact O-N 2.84Å
781	E	79.1	Confident	68.5	Low	21 Å²	21	38.9 Å²	38.9	10%	0.098	22%	0.223	C	C	.	.	H	α-helix	trans	-58.2	-34.7	-175.5	-165.8	177.4	176.2	0	0	112.7	V783 M784 V785 R880 L885 S886	E781-V783 VanDerWaalsContact C-N 3.35Å; E781-V783 PolarHBondContact O-N 2.91Å; E781-M784 CarbonylContact O-C 3.58Å; E781-M784 WeakPolarHBondContact O-CA 3.34Å; E781-M784 WeakPolarHBondContact O-CB 3.41Å; E781-M784 PolarHBondContact O-N 2.94Å; E781-M784 VanDerWaalsContact O-N 3.09Å; E781-V785 WeakPolarHBondContact O-CG2 3.39Å; E781-V785 PolarHBondContact O-N 3.29Å; E781-R880 IonicContact OE1-NE 3.27Å; E781-R880 IonicContact OE2-CZ 3.78Å; E781-R880 IonicContact OE2-NE 3.93Å; E781-R880 PolarHBondContact OE2-NE 3.22Å; E781-R880 IonicContact OE2-NH2 2.71Å; E781-R880 PolarHBondContact OE2-NH2 2.86Å; E781-L885 HydrophobicContact CG-CB 4.43Å; E781-L885 HydrophobicContact CG-CD2 4.15Å; E781-L885 WeakPolarHBondContact OE1-CA 3.43Å; E781-S886 VanDerWaalsContact CD-OG 3.31Å; E781-S886 WeakPolarHBondContact CG-O 3.46Å; E781-S886 PolarHBondContact OE1-N 2.82Å; E781-S886 PolarHBondContact OE1-OG 3.05Å; E781-S886 PolarHBondContact OE2-OG 3.06Å
782	H	77.8	Confident	69.5	Low	62 Å²	62	37.6 Å²	37.6	29%	0.287	21%	0.213	S	C	.	.	H	α-helix	trans	-64.2	-37.1	178.3	70.1	-94.2	0	0	0	113	P780 M784 V785 E786 R887	P780-H782 WeakPolarHBondContact CB-CE1 3.44Å; P780-H782 WeakPolarHBondContact CB-ND1 3.37Å; P780-H782 PolarHBondContact O-N 3.14Å; P780-H782 VanDerWaalsContact O-N 3.16Å; H782-M784 VanDerWaalsContact C-N 3.29Å; H782-V785 PolarHBondContact O-N 2.84Å; H782-E786 PolarHBondContact O-N 3.06Å; H782-E786 VanDerWaalsContact O-N 3.12Å; H782-R887 HydrophobicContact CB-CG 3.92Å
783	V	77.8	Confident	70.4	Confident	20 Å²	20	37.7 Å²	37.7	12%	0.121	20%	0.204	C	C	.	.	H	α-helix	trans	-68	-35.9	174.3	179.7	0	0	0	0	109.7	F768 I779 P780 E781 E786 N787 C923	F768-V783 HydrophobicContact CE1-CG2 4.05Å; F768-V783 HydrophobicContact CZ-CG2 4.22Å; I779-V783 HydrophobicContact CG2-CB 3.77Å; I779-V783 HydrophobicContact CG2-CG1 3.83Å; P780-V783 HydrophobicContact CB-CG2 4.32Å; P780-V783 HydrophobicContact CG-CG2 4.35Å; P780-V783 WeakPolarHBondContact O-CB 3.2Å; P780-V783 PolarHBondContact O-N 2.8Å; E781-V783 VanDerWaalsContact C-N 3.35Å; E781-V783 PolarHBondContact O-N 2.91Å; V783-E786 PolarHBondContact O-N 3.26Å; V783-N787 VanDerWaalsContact CG1-ND2 3.3Å; V783-N787 WeakPolarHBondContact CG1-ND2 3.43Å; V783-N787 VanDerWaalsContact O-CB 3.3Å; V783-N787 WeakPolarHBondContact O-CB 3.32Å; V783-N787 PolarHBondContact O-N 3.46Å; V783-N787 PolarHBondContact O-ND2 2.92Å; V783-C923 HydrophobicContact CG1-CB 4.41Å
784	M	79.8	Confident	71.2	Confident	0 Å²	0	38.8 Å²	38.8	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-66.8	-37.8	173.8	-64.2	-168.7	59.9	0	0	112.2	L776 W777 I779 P780 E781 H782 E786 N787 L788 M789 L885	L776-M784 HydrophobicContact CB-SD 3.77Å; L776-M784 HydrophobicContact CD2-CE 3.55Å; L776-M784 HydrophobicContact CD2-SD 3.74Å; L776-M784 HydrophobicContact CG-CE 4.39Å; L776-M784 HydrophobicContact CG-SD 4.11Å; W777-M784 HydrophobicContact CE3-CE 3.73Å; W777-M784 HydrophobicContact CE3-SD 4.42Å; W777-M784 HydrophobicContact CH2-CE 4.4Å; W777-M784 HydrophobicContact CZ3-CE 3.63Å; I779-M784 HydrophobicContact CB-CG 4.04Å; I779-M784 HydrophobicContact CB-SD 4.41Å; I779-M784 HydrophobicContact CG2-CG 3.83Å; P780-M784 PolarHBondContact O-N 2.84Å; E781-M784 CarbonylContact O-C 3.58Å; E781-M784 WeakPolarHBondContact O-CA 3.34Å; E781-M784 WeakPolarHBondContact O-CB 3.41Å; E781-M784 PolarHBondContact O-N 2.94Å; E781-M784 VanDerWaalsContact O-N 3.09Å; H782-M784 VanDerWaalsContact C-N 3.29Å; M784-E786 VanDerWaalsContact C-N 3.32Å; M784-E786 PolarHBondContact O-N 2.94Å; M784-N787 PolarHBondContact O-N 3.44Å; M784-L788 HydrophobicContact CE-CD1 3.64Å; M784-L788 CarbonylContact O-C 3.53Å; M784-L788 VanDerWaalsContact O-CA 3.29Å; M784-L788 WeakPolarHBondContact O-CA 3.46Å; M784-L788 WeakPolarHBondContact O-CB 3.25Å; M784-L788 PolarHBondContact O-N 3.37Å; M784-M789 PolarHBondContact O-N 3.35Å; M784-L885 HydrophobicContact CB-CD1 3.87Å; M784-L885 HydrophobicContact CB-CD2 4.19Å; M784-L885 HydrophobicContact CE-CD1 4.44Å; M784-L885 HydrophobicContact CE-CD2 4.01Å; M784-L885 HydrophobicContact SD-CD2 4.38Å
785	V	79.6	Confident	71.7	Confident	4 Å²	4	36.4 Å²	36.4	2%	0.024	18%	0.184	C	C	.	.	H	α-helix	trans	-61.6	-43.2	173	174.5	0	0	0	0	110.4	E781 H782 N787 M789 L885 R887	E781-V785 WeakPolarHBondContact O-CG2 3.39Å; E781-V785 PolarHBondContact O-N 3.29Å; H782-V785 PolarHBondContact O-N 2.84Å; V785-N787 VanDerWaalsContact C-N 3.29Å; V785-N787 PolarHBondContact O-N 2.84Å; V785-M789 HydrophobicContact CG1-CB 4.39Å; V785-M789 HydrophobicContact CG1-CE 3.98Å; V785-M789 HydrophobicContact CG1-SD 3.84Å; V785-M789 WeakPolarHBondContact O-CB 3.38Å; V785-M789 PolarHBondContact O-N 2.81Å; V785-L885 HydrophobicContact CG2-CB 3.62Å; V785-R887 HydrophobicContact CB-CB 4.16Å; V785-R887 HydrophobicContact CG1-CB 4.19Å; V785-R887 HydrophobicContact CG2-CB 3.93Å
786	E	76.5	Confident	72.1	Confident	95 Å²	95	41.8 Å²	41.8	44%	0.444	21%	0.209	S	C	.	.	H	α-helix	trans	-66.8	-28.9	178.2	-70.4	-177.6	169.7	0	0	113.8	H782 V783 M784 K792 R887	H782-E786 PolarHBondContact O-N 3.06Å; H782-E786 VanDerWaalsContact O-N 3.12Å; V783-E786 PolarHBondContact O-N 3.26Å; M784-E786 VanDerWaalsContact C-N 3.32Å; M784-E786 PolarHBondContact O-N 2.94Å; E786-K792 WeakPolarHBondContact O-CE 3.36Å; E786-K792 PolarHBondContact O-NZ 2.77Å; E786-R887 VanDerWaalsContact CD-NH1 3.33Å; E786-R887 IonicContact OE1-CZ 3.65Å; E786-R887 IonicContact OE1-NH1 3.23Å; E786-R887 PolarHBondContact OE1-NH1 3.48Å; E786-R887 IonicContact OE1-NH2 3.69Å; E786-R887 PolarHBondContact OE1-NH2 2.89Å
787	N	76.1	Confident	72.7	Confident	32 Å²	32	43.6 Å²	43.6	17%	0.171	23%	0.225	C	C	.	.	H	α-helix	trans	-108.3	-36.5	-170.3	-72.3	-63.1	0	0	0	114.4	V783 M784 V785 K792 Y921 G922	V783-N787 VanDerWaalsContact CG1-ND2 3.3Å; V783-N787 WeakPolarHBondContact CG1-ND2 3.43Å; V783-N787 VanDerWaalsContact O-CB 3.3Å; V783-N787 WeakPolarHBondContact O-CB 3.32Å; V783-N787 PolarHBondContact O-N 3.46Å; V783-N787 PolarHBondContact O-ND2 2.92Å; M784-N787 PolarHBondContact O-N 3.44Å; V785-N787 VanDerWaalsContact C-N 3.29Å; V785-N787 PolarHBondContact O-N 2.84Å; N787-K792 VanDerWaalsContact CA-NZ 3.3Å; N787-K792 PolarHBondContact O-NZ 3.15Å; N787-Y921 VanDerWaalsContact O-CE1 3.25Å; N787-Y921 WeakPolarHBondContact O-CE1 3.28Å; N787-G922 WeakPolarHBondContact OD1-CA 3.21Å
788	L	76.1	Confident	73.5	Confident	6 Å²	6	44.7 Å²	44.7	3%	0.031	23%	0.234	C	C	.	.	H	α-helix	trans	-124	9.4	-169.4	-71.4	177.8	0	0	0	114.6	W777 M784 V906 L911 Y921 F924	W777-L788 HydrophobicContact CE3-CD1 4.33Å; W777-L788 HydrophobicContact CZ3-CD1 3.61Å; M784-L788 HydrophobicContact CE-CD1 3.64Å; M784-L788 CarbonylContact O-C 3.53Å; M784-L788 VanDerWaalsContact O-CA 3.29Å; M784-L788 WeakPolarHBondContact O-CA 3.46Å; M784-L788 WeakPolarHBondContact O-CB 3.25Å; M784-L788 PolarHBondContact O-N 3.37Å; L788-V906 WeakPolarHBondContact O-CG2 3.32Å; L788-V906 PolarHBondContact O-N 2.85Å; L788-L911 HydrophobicContact CD2-CD1 3.76Å; L788-L911 HydrophobicContact CD2-CD2 3.69Å; L788-L911 HydrophobicContact CD2-CG 4.33Å; L788-Y921 HydrophobicContact CD2-CD1 4.33Å; L788-Y921 HydrophobicContact CD2-CE1 4.29Å; L788-F924 HydrophobicContact CD1-CD2 4.31Å; L788-F924 HydrophobicContact CD1-CE2 3.2Å; L788-F924 HydrophobicContact CD1-CZ 3.58Å; L788-F924 HydrophobicContact CD2-CD2 4.16Å; L788-F924 HydrophobicContact CD2-CE2 3.81Å; L788-F924 HydrophobicContact CG-CD2 4.39Å; L788-F924 HydrophobicContact CG-CE2 3.63Å; L788-F924 HydrophobicContact CG-CZ 4.48Å
789	M	73.3	Confident	74.4	Confident	6 Å²	6	44.6 Å²	44.6	3%	0.03	23%	0.228	C	C	.	.	B	Isolated β-bridge	trans	-69.7	132.8	170	173.3	167.6	62	0	0	110.7	M784 V785 K792 L795 P859 I901 C903	M784-M789 PolarHBondContact O-N 3.35Å; V785-M789 HydrophobicContact CG1-CB 4.39Å; V785-M789 HydrophobicContact CG1-CE 3.98Å; V785-M789 HydrophobicContact CG1-SD 3.84Å; V785-M789 WeakPolarHBondContact O-CB 3.38Å; V785-M789 PolarHBondContact O-N 2.81Å; M789-K792 HydrophobicContact CB-CG 4.45Å; M789-K792 HydrophobicContact CE-CG 4.1Å; M789-L795 HydrophobicContact CE-CD1 3.38Å; M789-L795 HydrophobicContact CE-CD2 3.62Å; M789-L795 HydrophobicContact CE-CG 3.49Å; M789-L795 VanDerWaalsContact CE-CG 3.49Å; M789-L795 HydrophobicContact SD-CD2 4.38Å; M789-P859 HydrophobicContact SD-CB 4.11Å; M789-I901 HydrophobicContact SD-CG2 4.38Å; M789-C903 HydrophobicContact CB-CB 4.49Å; M789-C903 HydrophobicContact CG-CB 3.49Å; M789-C903 VanDerWaalsContact CG-CB 3.49Å; M789-C903 WeakPolarHBondContact CG-SG 3.43Å; M789-C903 HydrophobicContact SD-CB 3.28Å; M789-C903 WeakPolarHBondContact SD-CB 3.34Å; M789-C903 PolarHBondContact SD-SG 3.49Å
790	W	66.1	Low	75.2	Confident	59 Å²	59	47.4 Å²	47.4	22%	0.223	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78	141.9	161.5	-170.8	-82.2	0	0	0	108.9	V857 K904 V906 P907	W790-V857 HydrophobicContact CG-CG1 4.4Å; W790-V857 HydrophobicContact CZ2-CG2 4.27Å; W790-K904 HydrophobicContact CB-CB 4.29Å; W790-K904 WeakPolarHBondContact CB-O 3.26Å; W790-K904 PolarHBondContact N-O 2.83Å; W790-V906 HydrophobicContact CB-CG2 4.29Å; W790-V906 HydrophobicContact CE3-CB 4.29Å; W790-V906 HydrophobicContact CE3-CG1 4.13Å; W790-V906 HydrophobicContact CE3-CG2 4.18Å; W790-V906 HydrophobicContact CZ3-CG1 4.44Å; W790-P907 HydrophobicContact CE3-CG 4.03Å; W790-P907 HydrophobicContact CH2-CG 4.03Å; W790-P907 HydrophobicContact CZ3-CG 3.51Å
791	G	60.2	Low	75.9	Confident	5 Å²	5	47.1 Å²	47.1	5%	0.052	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	94.1	16	-176.9	0	0	0	0	0	115.1	E793 E794 L795	G791-E793 VanDerWaalsContact C-N 3.26Å; G791-E793 PolarHBondContact O-N 3.46Å; G791-E794 WeakPolarHBondContact CA-OE2 3.17Å; G791-E794 CarbonylContact O-C 3.6Å; G791-E794 WeakPolarHBondContact O-CA 3.46Å; G791-E794 WeakPolarHBondContact O-CB 3.23Å; G791-E794 PolarHBondContact O-N 3.28Å; G791-L795 PolarHBondContact O-N 3.47Å
792	K	66.5	Low	76.3	Confident	60 Å²	60	50.1 Å²	50.1	26%	0.261	25%	0.253	S	S	.	.	S	Bend	trans	-61.9	-32.9	-178.2	-79.3	-174.5	-167.4	-177.7	0	113.4	E786 N787 M789	E786-K792 WeakPolarHBondContact O-CE 3.36Å; E786-K792 PolarHBondContact O-NZ 2.77Å; N787-K792 VanDerWaalsContact CA-NZ 3.3Å; N787-K792 PolarHBondContact O-NZ 3.15Å; M789-K792 HydrophobicContact CB-CG 4.45Å; M789-K792 HydrophobicContact CE-CG 4.1Å
793	E	66.9	Low	76.9	Confident	142 Å²	142	51.7 Å²	51.7	66%	0.664	26%	0.261	S	S	*	.	G	3₁₀ helix	trans	-73.7	-25.4	176.1	-58.4	-175.8	176.3	0	0	110.3	G791	G791-E793 VanDerWaalsContact C-N 3.26Å; G791-E793 PolarHBondContact O-N 3.46Å
794	E	67.3	Low	77.4	Confident	60 Å²	60	50.8 Å²	50.8	28%	0.28	26%	0.255	S	S	.	.	G	3₁₀ helix	trans	-92.9	1.9	-178.3	-56.9	86.6	155.7	0	0	113.2	G791 D796 S797 V857	G791-E794 WeakPolarHBondContact CA-OE2 3.17Å; G791-E794 CarbonylContact O-C 3.6Å; G791-E794 WeakPolarHBondContact O-CA 3.46Å; G791-E794 WeakPolarHBondContact O-CB 3.23Å; G791-E794 PolarHBondContact O-N 3.28Å; E794-D796 PolarHBondContact O-N 3.39Å; E794-S797 CarbonylContact O-C 3.58Å; E794-S797 PolarHBondContact O-N 3.22Å; E794-S797 PolarHBondContact O-OG 3.33Å; E794-V857 HydrophobicContact CG-CG1 4.44Å; E794-V857 VanDerWaalsContact OE1-CG1 3.28Å; E794-V857 WeakPolarHBondContact OE1-CG1 3.48Å
795	L	69.8	Low	77.7	Confident	61 Å²	61	55.5 Å²	55.5	32%	0.319	28%	0.277	S	S	.	.	G	3₁₀ helix	trans	-59.6	-27.1	174.6	-95.5	171.2	0	0	0	112.9	M789 G791 S797 P798 P859 I901	M789-L795 HydrophobicContact CE-CD1 3.38Å; M789-L795 HydrophobicContact CE-CD2 3.62Å; M789-L795 HydrophobicContact CE-CG 3.49Å; M789-L795 VanDerWaalsContact CE-CG 3.49Å; M789-L795 HydrophobicContact SD-CD2 4.38Å; G791-L795 PolarHBondContact O-N 3.47Å; L795-S797 PolarHBondContact O-N 2.92Å; L795-P798 WeakPolarHBondContact O-CD 3.18Å; L795-P859 HydrophobicContact CD2-CG 3.98Å; L795-P859 HydrophobicContact CG-CG 4.36Å; L795-I901 HydrophobicContact CD2-CD1 4.13Å
796	D	71.3	Confident	78.1	Confident	161 Å²	161	59.2 Å²	59.2	86%	0.861	31%	0.309	S	S	*	.	G	3₁₀ helix	trans	-71.6	-16.6	176.4	-69.5	-28.4	0	0	0	112.2	E794	E794-D796 PolarHBondContact O-N 3.39Å
797	S	77.9	Confident	78.5	Confident	76 Å²	76	59.3 Å²	59.3	53%	0.531	31%	0.309	S	S	.	.	S	Bend	trans	-134.4	62.3	-179.9	60.2	0	0	0	0	111.5	E794 L795	E794-S797 CarbonylContact O-C 3.58Å; E794-S797 PolarHBondContact O-N 3.22Å; E794-S797 PolarHBondContact O-OG 3.33Å; L795-S797 PolarHBondContact O-N 2.92Å
798	P	84.9	Confident	79	Confident	35 Å²	35	58.3 Å²	58.3	23%	0.227	30%	0.304	C	S	.	.	P	Polyproline II helix	trans	-71.8	145.9	178.9	32.2	-31.8	0	0	0	109.9	L795 P859 C861	L795-P798 WeakPolarHBondContact O-CD 3.18Å; P798-P859 CarbonylContact C-O 3.59Å; P798-P859 VanDerWaalsContact CA-O 3.3Å; P798-P859 WeakPolarHBondContact CA-O 3.37Å; P798-P859 HydrophobicContact CB-CG 4.23Å; P798-P859 WeakPolarHBondContact CB-O 3.42Å; P798-C861 HydrophobicContact CB-CB 4.07Å; P798-C861 WeakPolarHBondContact CB-SG 3.46Å; P798-C861 HydrophobicContact CG-CB 4.19Å; P798-C861 WeakPolarHBondContact CG-SG 3.25Å
799	I	88.3	Confident	79.4	Confident	19 Å²	19	67 Å²	67	10%	0.097	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	133.2	177.5	-72.7	165.2	0	0	0	108.7	L856 P859 I860 C861	I799-L856 HydrophobicContact CD1-CD1 3.49Å; I799-L856 VanDerWaalsContact CD1-CD1 3.49Å; I799-L856 HydrophobicContact CD1-CD2 3.46Å; I799-L856 VanDerWaalsContact CD1-CD2 3.46Å; I799-L856 HydrophobicContact CD1-CG 3.91Å; I799-P859 PolarHBondContact N-O 3.37Å; I799-I860 CarbonylContact O-C 3.55Å; I799-I860 VanDerWaalsContact O-CA 3.29Å; I799-I860 WeakPolarHBondContact O-CA 3.34Å; I799-I860 WeakPolarHBondContact O-CG2 3.3Å; I799-C861 PolarHBondContact O-N 3.15Å
800	H	89.2	Confident	79.9	Confident	65 Å²	65	68.9 Å²	68.9	30%	0.301	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	135.3	174.9	-73.8	-111.4	0	0	0	109.6	E802 Q803 L804 F863	H800-E802 HydrophobicContact CB-CG 4.31Å; H800-E802 PolarHBondContact O-N 2.92Å; H800-E802 VanDerWaalsContact O-N 3.13Å; H800-Q803 HydrophobicContact CB-CB 4.42Å; H800-Q803 HydrophobicContact CB-CG 4.1Å; H800-Q803 WeakPolarHBondContact O-CA 3.3Å; H800-Q803 WeakPolarHBondContact O-CB 3.34Å; H800-Q803 PolarHBondContact O-N 3.48Å; H800-L804 PolarHBondContact O-N 3.45Å; H800-F863 AromaticContact CE1-CD2 3.91Å; H800-F863 AromaticContact CE1-CE2 3.25Å; H800-F863 WeakPolarHBondContact CE1-CE2 3.36Å; H800-F863 AromaticContact ND1-CD2 3.66Å; H800-F863 AromaticContact ND1-CE2 3.39Å; H800-F863 WeakPolarHBondContact ND1-CE2 3.46Å
801	F	90.3	Very high	80.6	Confident	1 Å²	1	68.5 Å²	68.5	0%	0.004	36%	0.359	C	S	.	.	G	3₁₀ helix	trans	-54.1	-37.3	-176.3	-173.8	-109.4	0	0	0	114	Q803 L804 F838 Y847 L848 I860 C861 I862 V866 V867	F801-Q803 PolarHBondContact O-N 3.43Å; F801-L804 VanDerWaalsContact O-CB 3.26Å; F801-L804 WeakPolarHBondContact O-CB 3.35Å; F801-L804 PolarHBondContact O-N 2.9Å; F801-F838 HydrophobicContact CD1-CD1 4.09Å; F801-F838 HydrophobicContact CD1-CE1 4.01Å; F801-F838 HydrophobicContact CD1-CG 4.38Å; F801-F838 HydrophobicContact CD1-CZ 4.24Å; F801-F838 AromaticContact CE1-CD1 3.5Å; F801-F838 HydrophobicContact CE1-CD1 3.5Å; F801-F838 AromaticContact CE1-CE1 3.64Å; F801-F838 HydrophobicContact CE1-CE1 3.64Å; F801-F838 HydrophobicContact CE1-CG 4.07Å; F801-F838 HydrophobicContact CE1-CZ 4.33Å; F801-Y847 HydrophobicContact CZ-CD1 4.36Å; F801-Y847 HydrophobicContact CZ-CG 4.14Å; F801-L848 HydrophobicContact CE2-CD2 4.15Å; F801-L848 HydrophobicContact CE2-CG 4.35Å; F801-I860 HydrophobicContact CB-CG2 3.78Å; F801-I860 HydrophobicContact CD2-CG2 3.82Å; F801-I860 HydrophobicContact CG-CG2 4.32Å; F801-C861 PolarHBondContact N-O 3.45Å; F801-I862 HydrophobicContact CB-CB 4.46Å; F801-I862 HydrophobicContact CB-CG1 3.58Å; F801-I862 HydrophobicContact CD1-CG1 4.36Å; F801-I862 HydrophobicContact CD2-CD1 3.9Å; F801-I862 HydrophobicContact CD2-CG1 3.77Å; F801-I862 HydrophobicContact CE2-CD1 4.23Å; F801-I862 HydrophobicContact CG-CD1 4.21Å; F801-I862 HydrophobicContact CG-CG1 3.66Å; F801-V866 HydrophobicContact CD1-CG1 4.34Å; F801-V867 HydrophobicContact CD1-CG2 4.16Å; F801-V867 HydrophobicContact CE1-CG2 4.16Å
802	E	86.5	Confident	81.3	Confident	84 Å²	84	75 Å²	75	39%	0.393	40%	0.399	S	S	.	.	G	3₁₀ helix	trans	-69.1	-19	176.8	65	-164.5	176.2	0	0	114.3	H800 F838 V866	H800-E802 HydrophobicContact CB-CG 4.31Å; H800-E802 PolarHBondContact O-N 2.92Å; H800-E802 VanDerWaalsContact O-N 3.13Å; E802-F838 HydrophobicContact CB-CE2 3.97Å; E802-F838 HydrophobicContact CB-CZ 4.33Å; E802-V866 HydrophobicContact CB-CG1 4.14Å; E802-V866 VanDerWaalsContact OE2-CG2 3.27Å; E802-V866 WeakPolarHBondContact OE2-CG2 3.46Å
803	Q	90	Very high	81.6	Confident	95 Å²	95	75 Å²	75	44%	0.444	40%	0.401	S	S	.	.	G	3₁₀ helix	trans	-93.8	-2.1	177.7	-62.7	176.2	-4.2	0	0	112.4	H800 F801 E805 A806 H807	H800-Q803 HydrophobicContact CB-CB 4.42Å; H800-Q803 HydrophobicContact CB-CG 4.1Å; H800-Q803 WeakPolarHBondContact O-CA 3.3Å; H800-Q803 WeakPolarHBondContact O-CB 3.34Å; H800-Q803 PolarHBondContact O-N 3.48Å; F801-Q803 PolarHBondContact O-N 3.43Å; Q803-E805 PolarHBondContact O-N 3Å; Q803-E805 VanDerWaalsContact O-N 3.16Å; Q803-A806 VanDerWaalsContact O-CB 3.31Å; Q803-A806 WeakPolarHBondContact O-CB 3.49Å; Q803-A806 PolarHBondContact O-N 3.26Å; Q803-H807 PolarHBondContact O-CD2 2.9Å
804	L	89	Confident	81.2	Confident	0 Å²	0	71.3 Å²	71.3	0%	0	39%	0.391	C	S	.	.	G	3₁₀ helix	trans	-59.7	-30	-177.1	-170.2	68.1	0	0	0	112.5	H800 F801 A806 H807 C808 Y847 Y851 L856 I860	H800-L804 PolarHBondContact O-N 3.45Å; F801-L804 VanDerWaalsContact O-CB 3.26Å; F801-L804 WeakPolarHBondContact O-CB 3.35Å; F801-L804 PolarHBondContact O-N 2.9Å; L804-A806 PolarHBondContact O-N 2.74Å; L804-A806 VanDerWaalsContact O-N 3.15Å; L804-H807 CarbonylContact O-C 3.56Å; L804-H807 WeakPolarHBondContact O-CA 3.32Å; L804-H807 PolarHBondContact O-N 3.19Å; L804-C808 HydrophobicContact CD1-CB 4.43Å; L804-C808 VanDerWaalsContact CD1-SG 3.55Å; L804-C808 HydrophobicContact CG-CB 4.21Å; L804-C808 PolarHBondContact O-N 3.06Å; L804-Y847 HydrophobicContact CB-CD1 4.09Å; L804-Y847 HydrophobicContact CB-CE1 4.49Å; L804-Y847 HydrophobicContact CD2-CD1 4.05Å; L804-Y847 WeakPolarHBondContact CD2-O 3.13Å; L804-Y851 HydrophobicContact CD1-CD2 4.2Å; L804-L856 HydrophobicContact CD1-CD2 3.95Å; L804-I860 HydrophobicContact CD1-CD1 3.74Å; L804-I860 HydrophobicContact CD1-CG1 4.2Å; L804-I860 HydrophobicContact CD2-CD1 3.95Å; L804-I860 HydrophobicContact CG-CD1 4.45Å
805	E	86.9	Confident	80.6	Confident	100 Å²	100	73.6 Å²	73.6	47%	0.467	41%	0.411	S	S	.	.	G	3₁₀ helix	trans	-61.2	-19.9	175.2	67.6	-171	-159.7	0	0	113.9	Q803 H807 I810 R837 Y847	Q803-E805 PolarHBondContact O-N 3Å; Q803-E805 VanDerWaalsContact O-N 3.16Å; E805-H807 VanDerWaalsContact C-N 3.33Å; E805-I810 HydrophobicContact CB-CD1 3.43Å; E805-I810 VanDerWaalsContact CB-CD1 3.43Å; E805-R837 IonicContact OE1-NH1 3.36Å; E805-R837 IonicContact OE2-NH1 3.51Å; E805-R837 PolarHBondContact OE2-NH1 3.19Å; E805-Y847 PolarHBondContact OE2-OH 3.47Å
806	A	87	Confident	79.8	Confident	82 Å²	82	76 Å²	76	68%	0.678	43%	0.428	S	S	*	.	G	3₁₀ helix	trans	-82	-12.7	173.2	0	0	0	0	0	113.1	Q803 L804	Q803-A806 VanDerWaalsContact O-CB 3.31Å; Q803-A806 WeakPolarHBondContact O-CB 3.49Å; Q803-A806 PolarHBondContact O-N 3.26Å; L804-A806 PolarHBondContact O-N 2.74Å; L804-A806 VanDerWaalsContact O-N 3.15Å
807	H	84.8	Confident	78.8	Confident	97 Å²	97	73.1 Å²	73.1	45%	0.449	41%	0.409	S	S	.	.	T	Hydrogen-bonded Turn	trans	-120.6	-18.8	-173.4	-61.8	-72.6	0	0	0	113.6	Q803 L804 E805 L856	Q803-H807 PolarHBondContact O-CD2 2.9Å; L804-H807 CarbonylContact O-C 3.56Å; L804-H807 WeakPolarHBondContact O-CA 3.32Å; L804-H807 PolarHBondContact O-N 3.19Å; E805-H807 VanDerWaalsContact C-N 3.33Å; H807-L856 HydrophobicContact CB-CD1 4.34Å; H807-L856 HydrophobicContact CB-CD2 4.35Å
808	C	86.9	Confident	77.4	Confident	11 Å²	11	74 Å²	74	7%	0.074	41%	0.407	C	S	.	.	S	Bend	trans	-138.8	143.5	-175.3	-55.3	0	0	0	0	110.7	L804 I810 A850 S854	L804-C808 HydrophobicContact CD1-CB 4.43Å; L804-C808 VanDerWaalsContact CD1-SG 3.55Å; L804-C808 HydrophobicContact CG-CB 4.21Å; L804-C808 PolarHBondContact O-N 3.06Å; C808-I810 PolarHBondContact O-N 3.11Å; C808-A850 HydrophobicContact CB-CB 4.09Å; C808-S854 WeakPolarHBondContact SG-CB 3.43Å
809	E	84.9	Confident	75.4	Confident	189 Å²	189	78.8 Å²	78.8	88%	0.883	43%	0.431	S	S	*	.			trans	-77.3	113.2	170.3	-67.9	-176.9	179.9	0	0	109.4	A850	E809-A850 WeakPolarHBondContact O-CB 3.49Å
810	I	84.2	Confident	73.2	Confident	44 Å²	44	83.3 Å²	83.3	23%	0.226	46%	0.463	C	S	.	.			trans	-89.6	129.1	-177.7	-62.9	155.5	0	0	0	109.3	E805 C808 T812 Y847 A850	E805-I810 HydrophobicContact CB-CD1 3.43Å; E805-I810 VanDerWaalsContact CB-CD1 3.43Å; C808-I810 PolarHBondContact O-N 3.11Å; I810-T812 PolarHBondContact O-N 3.06Å; I810-Y847 HydrophobicContact CD1-CD1 3.82Å; I810-Y847 HydrophobicContact CD1-CD2 4.11Å; I810-Y847 HydrophobicContact CD1-CE1 3.38Å; I810-Y847 HydrophobicContact CD1-CE2 3.74Å; I810-Y847 HydrophobicContact CD1-CG 4.16Å; I810-Y847 HydrophobicContact CG1-CD1 4.48Å; I810-Y847 HydrophobicContact CG1-CD2 4.46Å; I810-Y847 HydrophobicContact CG1-CE1 4.46Å; I810-Y847 HydrophobicContact CG1-CE2 4.49Å; I810-Y847 HydrophobicContact CG1-CG 4.48Å; I810-Y847 HydrophobicContact CG2-CD2 3.95Å; I810-Y847 HydrophobicContact CG2-CE2 4.01Å; I810-A850 HydrophobicContact CG1-CB 4.01Å
811	P	80.5	Confident	70.6	Confident	51 Å²	51	88.5 Å²	88.5	33%	0.331	49%	0.493	S	S	.	.			trans	-53.3	130.9	177.2	-26.5	33.4	0	0	0	112.4	L813	P811-L813 PolarHBondContact O-N 3.37Å
812	T	75.1	Confident	68	Low	143 Å²	143	91.6 Å²	91.6	88%	0.877	53%	0.525	S	S	*	.			trans	-69.2	112.1	176.2	42.8	0	0	0	0	110.6	I810	I810-T812 PolarHBondContact O-N 3.06Å
813	L	71.1	Confident	65.4	Low	59 Å²	59	92.4 Å²	92.4	31%	0.309	55%	0.547	S	S	.	.			trans	-75.9	137.3	177.3	-62.9	173.7	0	0	0	111.1	P811 I842 I843	P811-L813 PolarHBondContact O-N 3.37Å; L813-I842 HydrophobicContact CD1-CG2 4.08Å; L813-I842 HydrophobicContact CD2-CG2 3.76Å; L813-I843 HydrophobicContact CD1-CB 4.44Å; L813-I843 HydrophobicContact CD1-CG1 3.72Å
814	S	59.1	Low	62.8	Low	65 Å²	65	95.5 Å²	95.5	46%	0.455	57%	0.566	S	S	.	*			trans	-65.8	142.6	175.7	-38.7	0	0	0	0	111	T816 H817	S814-T816 PolarHBondContact O-N 2.97Å; S814-H817 PolarHBondContact O-N 3.2Å; S814-H817 VanDerWaalsContact O-N 3.08Å
815	P	54.6	Low	60.2	Low	107 Å²	107	101.5 Å²	101.5	70%	0.695	60%	0.603	S	S	*	*	G	3₁₀ helix	trans	-56.4	-28.2	-174.6	-24.5	32	0	0	0	114.5	H817 L818	P815-H817 PolarHBondContact O-N 3.01Å; P815-L818 PolarHBondContact O-N 2.83Å; P815-L818 VanDerWaalsContact O-N 3.14Å
816	T	54.1	Low	57.5	Low	113 Å²	113	103.5 Å²	103.5	69%	0.693	62%	0.617	S	S	*	*	G	3₁₀ helix	trans	-60.2	-26.5	179.3	7.2	0	0	0	0	113.6	S814 L818	S814-T816 PolarHBondContact O-N 2.97Å; T816-L818 VanDerWaalsContact C-N 3.32Å
817	H	49.3	Very low	55	Low	100 Å²	100	106.4 Å²	106.4	46%	0.463	62%	0.621	S	S	.	*	G	3₁₀ helix	trans	-82.6	-6.3	179.5	-68.5	-78.3	0	0	0	114	S814 P815 I842	S814-H817 PolarHBondContact O-N 3.2Å; S814-H817 VanDerWaalsContact O-N 3.08Å; P815-H817 PolarHBondContact O-N 3.01Å; H817-I842 HydrophobicContact CB-CD1 3.96Å; H817-I842 HydrophobicContact CB-CG2 4.43Å
818	L	49.1	Very low	52.4	Low	93 Å²	93	108.5 Å²	108.5	49%	0.487	64%	0.636	S	S	.	*	G	3₁₀ helix	trans	-95.3	0.7	-176.7	-66.4	173.4	0	0	0	114	P815 T816 C820 I843	P815-L818 PolarHBondContact O-N 2.83Å; P815-L818 VanDerWaalsContact O-N 3.14Å; T816-L818 VanDerWaalsContact C-N 3.32Å; L818-C820 VanDerWaalsContact C-N 3.31Å; L818-C820 PolarHBondContact O-N 3.34Å; L818-I843 HydrophobicContact CD2-CD1 3.96Å
819	N	42.6	Very low	49.8	Very low	136 Å²	136	118.5 Å²	118.5	73%	0.727	67%	0.673	S	S	*	*			trans	-68.7	92.9	173.7	-82.1	-4.6	0	0	0	109.4	D821	N819-D821 PolarHBondContact O-N 3.08Å; N819-D821 VanDerWaalsContact O-N 3.14Å
820	C	42	Very low	47.3	Very low	114 Å²	114	117.3 Å²	117.3	77%	0.77	67%	0.673	S	S	*	*			trans	-62.7	110	166.4	-62.8	0	0	0	0	107.5	L818 G822	L818-C820 VanDerWaalsContact C-N 3.31Å; L818-C820 PolarHBondContact O-N 3.34Å; C820-G822 PolarHBondContact O-N 3.1Å
821	D	34.8	Very low	44.7	Very low	174 Å²	174	118.5 Å²	118.5	93%	0.93	70%	0.696	S	S	*	*	S	Bend	trans	-56	105.2	165.5	-81.6	-33.2	0	0	0	108.6	N819	N819-D821 PolarHBondContact O-N 3.08Å; N819-D821 VanDerWaalsContact O-N 3.14Å
822	G	35.5	Very low	42.5	Very low	66 Å²	66	123.7 Å²	123.7	68%	0.68	72%	0.72	S	S	*	*			trans	170	63.9	-173.2	0	0	0	0	0	111.6	C820 D824	C820-G822 PolarHBondContact O-N 3.1Å; G822-D824 VanDerWaalsContact C-N 3.33Å; G822-D824 PolarHBondContact O-N 2.87Å
823	A	32.8	Very low	40.7	Very low	102 Å²	102	123.3 Å²	123.3	84%	0.843	71%	0.712	S	S	*	*			trans	-64.8	92.7	166.5	0	0	0	0	0	109.6
824	D	34.8	Very low	39.4	Very low	160 Å²	160	124.6 Å²	124.6	86%	0.856	73%	0.725	S	S	*	*			trans	-135.7	97.5	155.2	-91.8	-31.6	0	0	0	109.8	G822	G822-D824 VanDerWaalsContact C-N 3.33Å; G822-D824 PolarHBondContact O-N 2.87Å
825	T	33.7	Very low	39	Very low	126 Å²	126	125.9 Å²	125.9	77%	0.773	73%	0.73	S	S	*	*			trans	-52.2	147.3	168.1	29.3	0	0	0	0	113.7
826	N	31.7	Very low	39.3	Very low	142 Å²	142	126.3 Å²	126.3	76%	0.759	73%	0.727	S	S	*	*			trans	77.1	97.8	162.9	-69.2	-17.6	0	0	0	117.7
827	N	32.5	Very low	40.3	Very low	143 Å²	143	126.1 Å²	126.1	77%	0.765	71%	0.713	S	S	*	*				-179.9	122.6	103.7	-90.3	-34.6	0	0	0	113.1
828	N	30.9	Very low	41.9	Very low	140 Å²	140	121.9 Å²	121.9	75%	0.749	69%	0.694	S	S	*	*			trans	46.1	109.4	141.1	-67.8	-18.4	0	0	0	121	N830	N828-N830 PolarHBondContact O-N 3.17Å
829	Y	32.9	Very low	43.2	Very low	222 Å²	222	120.1 Å²	120.1	87%	0.871	69%	0.689	S	S	*	*				17.5	91.7	130	-72.6	-87.7	0	0	0	116.6
830	N	31.2	Very low	45.1	Very low	163 Å²	163	115.2 Å²	115.2	87%	0.872	67%	0.665	S	S	*	*	S	Bend	trans	175.5	113.3	131.8	-91.8	-19.7	0	0	0	109.6	N828	N828-N830 PolarHBondContact O-N 3.17Å
831	G	30.3	Very low	47.2	Very low	69 Å²	69	112.2 Å²	112.2	71%	0.711	65%	0.645	S	S	*	*			trans	77.5	106.6	173	0	0	0	0	0	112.5	N833	G831-N833 PolarHBondContact O-N 3.26Å
832	I	35.3	Very low	49.6	Very low	161 Å²	161	106.7 Å²	106.7	83%	0.826	62%	0.615	S	S	*	*			trans	-56.5	94.1	156.2	-63.9	164.8	0	0	0	104.9	C834	I832-C834 VanDerWaalsContact C-N 3.3Å; I832-C834 PolarHBondContact O-N 2.75Å; I832-C834 PolarHBondContact O-SG 3.35Å
833	N	37.2	Very low	52.1	Low	134 Å²	134	104.6 Å²	104.6	72%	0.717	59%	0.589	S	S	*	*			trans	-65.7	102.3	174.7	-121.2	-6.4	0	0	0	104.6	G831 T835	G831-N833 PolarHBondContact O-N 3.26Å; N833-T835 PolarHBondContact O-N 2.88Å
834	C	44.1	Very low	54.9	Low	86 Å²	86	99.8 Å²	99.8	58%	0.581	55%	0.548	S	S	*	.	G	3₁₀ helix	trans	-64.8	5.1	-176.2	-57.8	0	0	0	0	112.6	I832 N836 R837	I832-C834 VanDerWaalsContact C-N 3.3Å; I832-C834 PolarHBondContact O-N 2.75Å; I832-C834 PolarHBondContact O-SG 3.35Å; C834-N836 PolarHBondContact O-N 3.19Å; C834-N836 VanDerWaalsContact O-N 3.15Å; C834-R837 PolarHBondContact O-N 3.25Å
835	T	49.7	Very low	57.6	Low	93 Å²	93	94.7 Å²	94.7	57%	0.571	52%	0.52	S	S	*	.	G	3₁₀ helix	trans	-65.6	-18.4	-171.4	55.6	0	0	0	0	113.5	N833	N833-T835 PolarHBondContact O-N 2.88Å
836	N	61.7	Low	60.2	Low	116 Å²	116	88.9 Å²	88.9	62%	0.62	48%	0.484	S	S	*	.	G	3₁₀ helix	trans	-109.7	10.9	-178.6	-82.9	18.9	0	0	0	114.9	C834 F838 S839	C834-N836 PolarHBondContact O-N 3.19Å; C834-N836 VanDerWaalsContact O-N 3.15Å; N836-F838 PolarHBondContact O-N 2.95Å; N836-F838 VanDerWaalsContact O-N 3.14Å; N836-S839 WeakPolarHBondContact CA-OG 3.2Å; N836-S839 WeakPolarHBondContact CB-OG 3.1Å; N836-S839 WeakPolarHBondContact O-CB 3.36Å; N836-S839 PolarHBondContact O-N 3.42Å; N836-S839 VanDerWaalsContact O-N 3.08Å; N836-S839 PolarHBondContact O-OG 3.48Å
837	R	73.7	Confident	63.2	Low	109 Å²	109	82.9 Å²	82.9	41%	0.411	45%	0.451	S	S	.	.	G	3₁₀ helix	trans	-52.3	-40.1	-178.5	-175.8	-171.7	-73.5	-173.6	-0.5	112.5	E805 C834 S839 I843	E805-R837 IonicContact OE1-NH1 3.36Å; E805-R837 IonicContact OE2-NH1 3.51Å; E805-R837 PolarHBondContact OE2-NH1 3.19Å; C834-R837 PolarHBondContact O-N 3.25Å; R837-S839 PolarHBondContact O-N 3.24Å; R837-I843 VanDerWaalsContact O-CD1 3.28Å; R837-I843 WeakPolarHBondContact O-CD1 3.47Å
838	F	82.4	Confident	66	Low	11 Å²	11	76 Å²	76	5%	0.048	41%	0.414	C	S	.	.	G	3₁₀ helix	trans	-98.1	28	-176.8	-55.1	-73	0	0	0	113.9	F801 E802 N836 I843 Y847 V866 V867	F801-F838 HydrophobicContact CD1-CD1 4.09Å; F801-F838 HydrophobicContact CD1-CE1 4.01Å; F801-F838 HydrophobicContact CD1-CG 4.38Å; F801-F838 HydrophobicContact CD1-CZ 4.24Å; F801-F838 AromaticContact CE1-CD1 3.5Å; F801-F838 HydrophobicContact CE1-CD1 3.5Å; F801-F838 AromaticContact CE1-CE1 3.64Å; F801-F838 HydrophobicContact CE1-CE1 3.64Å; F801-F838 HydrophobicContact CE1-CG 4.07Å; F801-F838 HydrophobicContact CE1-CZ 4.33Å; E802-F838 HydrophobicContact CB-CE2 3.97Å; E802-F838 HydrophobicContact CB-CZ 4.33Å; N836-F838 PolarHBondContact O-N 2.95Å; N836-F838 VanDerWaalsContact O-N 3.14Å; F838-I843 HydrophobicContact CD1-CG2 4Å; F838-I843 HydrophobicContact CE1-CG2 4.29Å; F838-Y847 AromaticContact CE1-CD1 3.97Å; F838-Y847 HydrophobicContact CE1-CD1 3.97Å; F838-Y847 HydrophobicContact CE1-CD2 4.15Å; F838-Y847 AromaticContact CE1-CE1 3.7Å; F838-Y847 HydrophobicContact CE1-CE1 3.7Å; F838-Y847 AromaticContact CE1-CE2 3.84Å; F838-Y847 HydrophobicContact CE1-CE2 3.84Å; F838-Y847 HydrophobicContact CE1-CG 4.2Å; F838-Y847 AromaticContact CE1-CZ 3.62Å; F838-Y847 HydrophobicContact CZ-CD1 4.47Å; F838-Y847 AromaticContact CZ-CE1 3.9Å; F838-Y847 HydrophobicContact CZ-CE1 3.9Å; F838-Y847 AromaticContact CZ-CZ 3.97Å; F838-V866 HydrophobicContact CD2-CG1 3.37Å; F838-V866 HydrophobicContact CE2-CG1 3.61Å; F838-V866 HydrophobicContact CG-CG1 4.27Å; F838-V867 HydrophobicContact CB-CG2 3.8Å; F838-V867 HydrophobicContact CG-CG2 4.4Å
839	S	76.7	Confident	69	Low	56 Å²	56	72.7 Å²	72.7	39%	0.392	39%	0.394	S	S	.	.	G	3₁₀ helix	trans	-81.7	-19.2	173.3	-47.5	0	0	0	0	112.5	N836 R837	N836-S839 WeakPolarHBondContact CA-OG 3.2Å; N836-S839 WeakPolarHBondContact CB-OG 3.1Å; N836-S839 WeakPolarHBondContact O-CB 3.36Å; N836-S839 PolarHBondContact O-N 3.42Å; N836-S839 VanDerWaalsContact O-N 3.08Å; N836-S839 PolarHBondContact O-OG 3.48Å; R837-S839 PolarHBondContact O-N 3.24Å
840	S	82.7	Confident	71.7	Confident	33 Å²	33	62.4 Å²	62.4	23%	0.231	36%	0.355	C	S	.	.			trans	-89.3	127.5	-179.5	177.4	0	0	0	0	111.4	I842 I843 I844	S840-I842 PolarHBondContact O-N 3.24Å; S840-I842 PolarHBondContact OG-N 2.85Å; S840-I843 PolarHBondContact O-N 3.31Å; S840-I844 PolarHBondContact O-N 2.81Å
841	S	86.1	Confident	74.7	Confident	50 Å²	50	54.6 Å²	54.6	35%	0.35	31%	0.314	S	S	.	.	H	α-helix	trans	-54.3	-37.3	172.9	175.5	0	0	0	0	112.5	I844 E845 H878	S841-I844 PolarHBondContact O-N 3.03Å; S841-E845 WeakPolarHBondContact O-CB 3.38Å; S841-E845 PolarHBondContact O-N 3.16Å; S841-H878 PolarHBondContact O-NE2 3.4Å; S841-H878 PolarHBondContact OG-NE2 3.39Å
842	I	86.8	Confident	77.5	Confident	58 Å²	58	51.9 Å²	51.9	30%	0.297	28%	0.284	S	S	.	.	H	α-helix	trans	-68.8	-38.3	-177.1	-62.1	165.8	0	0	0	110.9	L813 H817 S840 E845 S846	L813-I842 HydrophobicContact CD1-CG2 4.08Å; L813-I842 HydrophobicContact CD2-CG2 3.76Å; H817-I842 HydrophobicContact CB-CD1 3.96Å; H817-I842 HydrophobicContact CB-CG2 4.43Å; S840-I842 PolarHBondContact O-N 3.24Å; S840-I842 PolarHBondContact OG-N 2.85Å; I842-E845 PolarHBondContact O-N 3.23Å; I842-S846 PolarHBondContact O-N 2.85Å
843	I	87.2	Confident	80	Confident	23 Å²	23	48.5 Å²	48.5	12%	0.118	28%	0.28	C	S	.	.	H	α-helix	trans	-68.8	-41.3	176.9	-62.3	175.3	0	0	0	110.2	L813 L818 R837 F838 S840 E845 S846 Y847	L813-I843 HydrophobicContact CD1-CB 4.44Å; L813-I843 HydrophobicContact CD1-CG1 3.72Å; L818-I843 HydrophobicContact CD2-CD1 3.96Å; R837-I843 VanDerWaalsContact O-CD1 3.28Å; R837-I843 WeakPolarHBondContact O-CD1 3.47Å; F838-I843 HydrophobicContact CD1-CG2 4Å; F838-I843 HydrophobicContact CE1-CG2 4.29Å; S840-I843 PolarHBondContact O-N 3.31Å; I843-E845 VanDerWaalsContact C-N 3.31Å; I843-E845 PolarHBondContact O-N 3.06Å; I843-S846 PolarHBondContact O-N 3.25Å; I843-S846 PolarHBondContact O-OG 3.34Å; I843-Y847 HydrophobicContact CG2-CD2 4Å; I843-Y847 HydrophobicContact CG2-CE2 3.84Å; I843-Y847 VanDerWaalsContact O-CD2 3.24Å; I843-Y847 WeakPolarHBondContact O-CD2 3.22Å; I843-Y847 PolarHBondContact O-N 3.02Å; I843-Y847 VanDerWaalsContact O-N 3.17Å
844	I	90.9	Very high	82.4	Confident	0 Å²	0	43.3 Å²	43.3	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-59.6	-46.5	175.6	-67.6	169.9	0	0	0	110.2	S840 S841 S846 Y847 L848 V867 L871 V875	S840-I844 PolarHBondContact O-N 2.81Å; S841-I844 PolarHBondContact O-N 3.03Å; I844-S846 PolarHBondContact O-N 2.85Å; I844-Y847 PolarHBondContact O-N 3.09Å; I844-L848 HydrophobicContact CG2-CD1 3.91Å; I844-L848 HydrophobicContact CG2-CG 4.5Å; I844-L848 WeakPolarHBondContact O-CG 3.17Å; I844-L848 PolarHBondContact O-N 2.94Å; I844-V867 HydrophobicContact CD1-CG1 4.16Å; I844-L871 HydrophobicContact CD1-CD1 4.33Å; I844-V875 HydrophobicContact CD1-CG2 4.23Å; I844-V875 HydrophobicContact CG2-CB 4.35Å; I844-V875 HydrophobicContact CG2-CG2 3.78Å
845	E	91.6	Very high	84.3	Confident	54 Å²	54	43.5 Å²	43.5	25%	0.252	26%	0.262	S	S	.	.	H	α-helix	trans	-61.5	-42.6	179.6	-172.1	166.7	-161	0	0	112.2	S841 I842 I843 Y847 L848 Q849 H878 R881	S841-E845 WeakPolarHBondContact O-CB 3.38Å; S841-E845 PolarHBondContact O-N 3.16Å; I842-E845 PolarHBondContact O-N 3.23Å; I843-E845 VanDerWaalsContact C-N 3.31Å; I843-E845 PolarHBondContact O-N 3.06Å; E845-Y847 PolarHBondContact O-N 3.34Å; E845-L848 PolarHBondContact O-N 3.32Å; E845-Q849 VanDerWaalsContact O-CB 3.31Å; E845-Q849 WeakPolarHBondContact O-CB 3.4Å; E845-Q849 PolarHBondContact O-N 3.34Å; E845-H878 VanDerWaalsContact CD-CE1 3.49Å; E845-H878 IonicContact OE1-CE1 3.3Å; E845-H878 IonicContact OE1-ND1 2.88Å; E845-H878 IonicContact OE2-CE1 3.55Å; E845-H878 PolarHBondContact OE2-CE1 3.2Å; E845-H878 VanDerWaalsContact OE2-CE1 3.23Å; E845-H878 IonicContact OE2-ND1 2.9Å; E845-R881 IonicContact OE1-NH1 3.69Å
846	S	89.2	Confident	85.9	Confident	4 Å²	4	40.5 Å²	40.5	3%	0.028	24%	0.242	C	C	.	.	H	α-helix	trans	-66.6	-35.7	179.2	70.2	0	0	0	0	113.4	I842 I843 I844 A850	I842-S846 PolarHBondContact O-N 2.85Å; I843-S846 PolarHBondContact O-N 3.25Å; I843-S846 PolarHBondContact O-OG 3.34Å; I844-S846 PolarHBondContact O-N 2.85Å; S846-A850 WeakPolarHBondContact O-CB 3.38Å; S846-A850 PolarHBondContact O-N 3.3Å
847	Y	93.4	Very high	86.9	Confident	15 Å²	15	37 Å²	37	6%	0.059	23%	0.225	C	C	.	.	H	α-helix	trans	-68.1	-42.3	174	-86.5	-115.5	0	0	0	111.2	F801 L804 E805 I810 F838 I843 I844 E845 A850 Y851	F801-Y847 HydrophobicContact CZ-CD1 4.36Å; F801-Y847 HydrophobicContact CZ-CG 4.14Å; L804-Y847 HydrophobicContact CB-CD1 4.09Å; L804-Y847 HydrophobicContact CB-CE1 4.49Å; L804-Y847 HydrophobicContact CD2-CD1 4.05Å; L804-Y847 WeakPolarHBondContact CD2-O 3.13Å; E805-Y847 PolarHBondContact OE2-OH 3.47Å; I810-Y847 HydrophobicContact CD1-CD1 3.82Å; I810-Y847 HydrophobicContact CD1-CD2 4.11Å; I810-Y847 HydrophobicContact CD1-CE1 3.38Å; I810-Y847 HydrophobicContact CD1-CE2 3.74Å; I810-Y847 HydrophobicContact CD1-CG 4.16Å; I810-Y847 HydrophobicContact CG1-CD1 4.48Å; I810-Y847 HydrophobicContact CG1-CD2 4.46Å; I810-Y847 HydrophobicContact CG1-CE1 4.46Å; I810-Y847 HydrophobicContact CG1-CE2 4.49Å; I810-Y847 HydrophobicContact CG1-CG 4.48Å; I810-Y847 HydrophobicContact CG2-CD2 3.95Å; I810-Y847 HydrophobicContact CG2-CE2 4.01Å; F838-Y847 AromaticContact CE1-CD1 3.97Å; F838-Y847 HydrophobicContact CE1-CD1 3.97Å; F838-Y847 HydrophobicContact CE1-CD2 4.15Å; F838-Y847 AromaticContact CE1-CE1 3.7Å; F838-Y847 HydrophobicContact CE1-CE1 3.7Å; F838-Y847 AromaticContact CE1-CE2 3.84Å; F838-Y847 HydrophobicContact CE1-CE2 3.84Å; F838-Y847 HydrophobicContact CE1-CG 4.2Å; F838-Y847 AromaticContact CE1-CZ 3.62Å; F838-Y847 HydrophobicContact CZ-CD1 4.47Å; F838-Y847 AromaticContact CZ-CE1 3.9Å; F838-Y847 HydrophobicContact CZ-CE1 3.9Å; F838-Y847 AromaticContact CZ-CZ 3.97Å; I843-Y847 HydrophobicContact CG2-CD2 4Å; I843-Y847 HydrophobicContact CG2-CE2 3.84Å; I843-Y847 VanDerWaalsContact O-CD2 3.24Å; I843-Y847 WeakPolarHBondContact O-CD2 3.22Å; I843-Y847 PolarHBondContact O-N 3.02Å; I843-Y847 VanDerWaalsContact O-N 3.17Å; I844-Y847 PolarHBondContact O-N 3.09Å; E845-Y847 PolarHBondContact O-N 3.34Å; Y847-A850 PolarHBondContact O-N 3.49Å; Y847-Y851 PolarHBondContact O-N 2.69Å
848	L	93.1	Very high	87.5	Confident	0 Å²	0	32.8 Å²	32.8	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-67	-38	176.7	-69.7	173.6	0	0	0	112.2	F801 I844 E845 Y851 A852 V875 H878 A879 L884 V902	F801-L848 HydrophobicContact CE2-CD2 4.15Å; F801-L848 HydrophobicContact CE2-CG 4.35Å; I844-L848 HydrophobicContact CG2-CD1 3.91Å; I844-L848 HydrophobicContact CG2-CG 4.5Å; I844-L848 WeakPolarHBondContact O-CG 3.17Å; I844-L848 PolarHBondContact O-N 2.94Å; E845-L848 PolarHBondContact O-N 3.32Å; L848-Y851 PolarHBondContact O-N 3.44Å; L848-A852 WeakPolarHBondContact O-CB 3.37Å; L848-A852 PolarHBondContact O-N 2.87Å; L848-V875 HydrophobicContact CD1-CG1 4.07Å; L848-H878 HydrophobicContact CD1-CB 3.55Å; L848-A879 HydrophobicContact CD1-CB 4.35Å; L848-L884 HydrophobicContact CD2-CD1 4.36Å; L848-V902 HydrophobicContact CD2-CG1 3.98Å; L848-V902 HydrophobicContact CD2-CG2 4.44Å
849	Q	92.2	Very high	87.9	Confident	69 Å²	69	32.3 Å²	32.3	32%	0.322	21%	0.21	S	C	.	.	H	α-helix	trans	-58.8	-49.8	171.2	176.5	176	5.7	0	0	111.1	E845 Y851 A852 A853 W882	E845-Q849 VanDerWaalsContact O-CB 3.31Å; E845-Q849 WeakPolarHBondContact O-CB 3.4Å; E845-Q849 PolarHBondContact O-N 3.34Å; Q849-Y851 VanDerWaalsContact C-N 3.31Å; Q849-Y851 PolarHBondContact O-N 3.29Å; Q849-A852 PolarHBondContact O-N 3.07Å; Q849-A853 WeakPolarHBondContact O-CB 3.36Å; Q849-A853 PolarHBondContact O-N 3.03Å; Q849-W882 HydrophobicContact CB-CD2 4.15Å; Q849-W882 HydrophobicContact CB-CH2 4.09Å; Q849-W882 HydrophobicContact CB-CZ2 3.53Å; Q849-W882 VanDerWaalsContact CD-CH2 3.48Å; Q849-W882 VanDerWaalsContact CD-CZ2 3.43Å; Q849-W882 HydrophobicContact CG-CD2 4.39Å; Q849-W882 HydrophobicContact CG-CE3 4.39Å; Q849-W882 HydrophobicContact CG-CH2 3.44Å; Q849-W882 VanDerWaalsContact CG-CH2 3.44Å; Q849-W882 HydrophobicContact CG-CZ2 3.4Å; Q849-W882 VanDerWaalsContact CG-CZ2 3.4Å; Q849-W882 HydrophobicContact CG-CZ3 3.95Å
850	A	90.8	Very high	88.6	Confident	6 Å²	6	29.6 Å²	29.6	5%	0.05	19%	0.192	C	C	.	.	H	α-helix	trans	-59.7	-42.7	177.7	0	0	0	0	0	111.5	C808 E809 I810 S846 Y847 A853 S854	C808-A850 HydrophobicContact CB-CB 4.09Å; E809-A850 WeakPolarHBondContact O-CB 3.49Å; I810-A850 HydrophobicContact CG1-CB 4.01Å; S846-A850 WeakPolarHBondContact O-CB 3.38Å; S846-A850 PolarHBondContact O-N 3.3Å; Y847-A850 PolarHBondContact O-N 3.49Å; A850-A853 PolarHBondContact O-N 3.3Å; A850-S854 WeakPolarHBondContact O-CB 3.49Å; A850-S854 PolarHBondContact O-N 2.99Å
851	Y	92.9	Very high	88.9	Confident	0 Å²	0	28.3 Å²	28.3	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-61.1	-49	174.1	176.6	-122.7	0	0	0	111.9	L804 Y847 L848 Q849 A853 S854 L856 S858 I860 L884 V902 K904	L804-Y851 HydrophobicContact CD1-CD2 4.2Å; Y847-Y851 PolarHBondContact O-N 2.69Å; L848-Y851 PolarHBondContact O-N 3.44Å; Q849-Y851 VanDerWaalsContact C-N 3.31Å; Q849-Y851 PolarHBondContact O-N 3.29Å; Y851-A853 VanDerWaalsContact C-N 3.29Å; Y851-A853 PolarHBondContact O-N 3.48Å; Y851-S854 PolarHBondContact O-N 2.91Å; Y851-S854 VanDerWaalsContact O-N 3.15Å; Y851-S854 PolarHBondContact O-OG 3.23Å; Y851-L856 HydrophobicContact CD2-CB 4.31Å; Y851-L856 HydrophobicContact CD2-CD2 3.88Å; Y851-L856 HydrophobicContact CE2-CB 4.16Å; Y851-L856 HydrophobicContact CE2-CD2 3.75Å; Y851-L856 HydrophobicContact CE2-CG 4.2Å; Y851-S858 WeakPolarHBondContact CE2-O 3.3Å; Y851-S858 PolarHBondContact OH-O 3.38Å; Y851-I860 HydrophobicContact CD1-CD1 3.5Å; Y851-I860 HydrophobicContact CD1-CG1 4.37Å; Y851-I860 HydrophobicContact CD2-CD1 3.32Å; Y851-I860 HydrophobicContact CD2-CG1 3.88Å; Y851-I860 HydrophobicContact CE1-CD1 3.91Å; Y851-I860 HydrophobicContact CE1-CG1 4.3Å; Y851-I860 HydrophobicContact CE2-CD1 3.74Å; Y851-I860 HydrophobicContact CE2-CG1 3.79Å; Y851-I860 HydrophobicContact CG-CD1 3.16Å; Y851-I860 HydrophobicContact CG-CG1 4.15Å; Y851-L884 HydrophobicContact CD1-CD1 3.69Å; Y851-L884 HydrophobicContact CD1-CD2 3.94Å; Y851-L884 HydrophobicContact CD1-CG 4.47Å; Y851-L884 HydrophobicContact CE1-CD1 4.26Å; Y851-L884 HydrophobicContact CE1-CD2 3.92Å; Y851-V902 HydrophobicContact CE1-CG1 4.42Å; Y851-K904 HydrophobicContact CE1-CG 3.99Å; Y851-K904 WeakPolarHBondContact O-CE 3.43Å; Y851-K904 PolarHBondContact O-NZ 3.13Å
852	A	89.2	Confident	89.2	Confident	12 Å²	12	26 Å²	26	10%	0.099	17%	0.166	C	C	.	.	H	α-helix	trans	-57.6	-43.5	-179.6	0	0	0	0	0	111.7	L848 Q849 W882 L884	L848-A852 WeakPolarHBondContact O-CB 3.37Å; L848-A852 PolarHBondContact O-N 2.87Å; Q849-A852 PolarHBondContact O-N 3.07Å; A852-W882 HydrophobicContact CB-CB 3.85Å; A852-W882 HydrophobicContact CB-CE3 4.44Å; A852-W882 HydrophobicContact CB-CG 4.38Å; A852-L884 HydrophobicContact CB-CD1 4.28Å; A852-L884 HydrophobicContact CB-CD2 4.21Å; A852-L884 HydrophobicContact CB-CG 4.36Å
853	A	87.8	Confident	89.3	Confident	89 Å²	89	24.8 Å²	24.8	74%	0.736	16%	0.159	S	C	*	.	H	α-helix	trans	-74.5	-20.5	178.8	0	0	0	0	0	114.4	Q849 A850 Y851	Q849-A853 WeakPolarHBondContact O-CB 3.36Å; Q849-A853 PolarHBondContact O-N 3.03Å; A850-A853 PolarHBondContact O-N 3.3Å; Y851-A853 VanDerWaalsContact C-N 3.29Å; Y851-A853 PolarHBondContact O-N 3.48Å
854	S	88	Confident	89.3	Confident	26 Å²	26	25.9 Å²	25.9	18%	0.182	17%	0.167	C	C	.	.	S	Bend	trans	-70.6	164.9	-177.2	71.6	0	0	0	0	113.6	C808 A850 Y851 L856 K904	C808-S854 WeakPolarHBondContact SG-CB 3.43Å; A850-S854 WeakPolarHBondContact O-CB 3.49Å; A850-S854 PolarHBondContact O-N 2.99Å; Y851-S854 PolarHBondContact O-N 2.91Å; Y851-S854 VanDerWaalsContact O-N 3.15Å; Y851-S854 PolarHBondContact O-OG 3.23Å; S854-L856 PolarHBondContact O-N 3.11Å; S854-L856 WeakPolarHBondContact OG-CB 3.3Å; S854-L856 PolarHBondContact OG-N 2.84Å; S854-K904 PolarHBondContact O-NZ 3.27Å; S854-K904 PolarHBondContact OG-NZ 2.93Å
855	A	83.6	Confident	89	Confident	90 Å²	90	31.7 Å²	31.7	74%	0.744	20%	0.203	S	C	*	.			trans	-78.5	0	165.4	0	0	0	0	0	113	V857	A855-V857 PolarHBondContact O-N 3.01Å
856	L	84.1	Confident	88.8	Confident	29 Å²	29	29.8 Å²	29.8	15%	0.152	20%	0.195	C	C	.	.			trans	-65.9	122.8	-173.1	-167.4	73	0	0	0	110.9	I799 L804 H807 Y851 S854 K904	I799-L856 HydrophobicContact CD1-CD1 3.49Å; I799-L856 VanDerWaalsContact CD1-CD1 3.49Å; I799-L856 HydrophobicContact CD1-CD2 3.46Å; I799-L856 VanDerWaalsContact CD1-CD2 3.46Å; I799-L856 HydrophobicContact CD1-CG 3.91Å; L804-L856 HydrophobicContact CD1-CD2 3.95Å; H807-L856 HydrophobicContact CB-CD1 4.34Å; H807-L856 HydrophobicContact CB-CD2 4.35Å; Y851-L856 HydrophobicContact CD2-CB 4.31Å; Y851-L856 HydrophobicContact CD2-CD2 3.88Å; Y851-L856 HydrophobicContact CE2-CB 4.16Å; Y851-L856 HydrophobicContact CE2-CD2 3.75Å; Y851-L856 HydrophobicContact CE2-CG 4.2Å; S854-L856 PolarHBondContact O-N 3.11Å; S854-L856 WeakPolarHBondContact OG-CB 3.3Å; S854-L856 PolarHBondContact OG-N 2.84Å; L856-K904 WeakPolarHBondContact O-CD 3.25Å; L856-K904 WeakPolarHBondContact O-CE 3.35Å; L856-K904 PolarHBondContact O-NZ 3.48Å
857	V	81.6	Confident	88.8	Confident	42 Å²	42	29.6 Å²	29.6	26%	0.255	19%	0.194	S	C	.	.			trans	-89.6	-39	-177	158.7	0	0	0	0	111.6	W790 E794 A855	W790-V857 HydrophobicContact CG-CG1 4.4Å; W790-V857 HydrophobicContact CZ2-CG2 4.27Å; E794-V857 HydrophobicContact CG-CG1 4.44Å; E794-V857 VanDerWaalsContact OE1-CG1 3.28Å; E794-V857 WeakPolarHBondContact OE1-CG1 3.48Å; A855-V857 PolarHBondContact O-N 3.01Å
858	S	86.6	Confident	88.5	Confident	22 Å²	22	31.6 Å²	31.6	15%	0.154	21%	0.209	C	C	.	.	S	Bend	trans	-62.3	142.4	-174.8	-52	0	0	0	0	111.5	Y851	Y851-S858 WeakPolarHBondContact CE2-O 3.3Å; Y851-S858 PolarHBondContact OH-O 3.38Å
859	P	90.5	Very high	88.3	Confident	0 Å²	0	35.7 Å²	35.7	0%	0	23%	0.231	C	C	.	.	P	Polyproline II helix	trans	-67.8	151.3	175.5	27	-32	0	0	0	111	M789 L795 P798 I799 I901 C903	M789-P859 HydrophobicContact SD-CB 4.11Å; L795-P859 HydrophobicContact CD2-CG 3.98Å; L795-P859 HydrophobicContact CG-CG 4.36Å; P798-P859 CarbonylContact C-O 3.59Å; P798-P859 VanDerWaalsContact CA-O 3.3Å; P798-P859 WeakPolarHBondContact CA-O 3.37Å; P798-P859 HydrophobicContact CB-CG 4.23Å; P798-P859 WeakPolarHBondContact CB-O 3.42Å; I799-P859 PolarHBondContact N-O 3.37Å; P859-I901 HydrophobicContact CB-CG2 3.98Å; P859-C903 HydrophobicContact CB-CB 4.01Å
860	I	91.4	Very high	88	Confident	0 Å²	0	37.1 Å²	37.1	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	134.7	173	-59	167.9	0	0	0	109.9	I799 F801 L804 Y851 I862 I901 V902	I799-I860 CarbonylContact O-C 3.55Å; I799-I860 VanDerWaalsContact O-CA 3.29Å; I799-I860 WeakPolarHBondContact O-CA 3.34Å; I799-I860 WeakPolarHBondContact O-CG2 3.3Å; F801-I860 HydrophobicContact CB-CG2 3.78Å; F801-I860 HydrophobicContact CD2-CG2 3.82Å; F801-I860 HydrophobicContact CG-CG2 4.32Å; L804-I860 HydrophobicContact CD1-CD1 3.74Å; L804-I860 HydrophobicContact CD1-CG1 4.2Å; L804-I860 HydrophobicContact CD2-CD1 3.95Å; L804-I860 HydrophobicContact CG-CD1 4.45Å; Y851-I860 HydrophobicContact CD1-CD1 3.5Å; Y851-I860 HydrophobicContact CD1-CG1 4.37Å; Y851-I860 HydrophobicContact CD2-CD1 3.32Å; Y851-I860 HydrophobicContact CD2-CG1 3.88Å; Y851-I860 HydrophobicContact CE1-CD1 3.91Å; Y851-I860 HydrophobicContact CE1-CG1 4.3Å; Y851-I860 HydrophobicContact CE2-CD1 3.74Å; Y851-I860 HydrophobicContact CE2-CG1 3.79Å; Y851-I860 HydrophobicContact CG-CD1 3.16Å; Y851-I860 HydrophobicContact CG-CG1 4.15Å; I860-I862 HydrophobicContact CG2-CG1 4.38Å; I860-I901 CarbonylContact O-C 3.57Å; I860-I901 WeakPolarHBondContact O-CA 3.27Å; I860-V902 PolarHBondContact N-O 2.92Å; I860-V902 PolarHBondContact O-N 3.47Å
861	C	90.9	Very high	87.9	Confident	6 Å²	6	38.7 Å²	38.7	4%	0.041	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	127.1	170.2	-85.4	0	0	0	0	111.6	P798 I799 F801 F863	P798-C861 HydrophobicContact CB-CB 4.07Å; P798-C861 WeakPolarHBondContact CB-SG 3.46Å; P798-C861 HydrophobicContact CG-CB 4.19Å; P798-C861 WeakPolarHBondContact CG-SG 3.25Å; I799-C861 PolarHBondContact O-N 3.15Å; F801-C861 PolarHBondContact N-O 3.45Å; C861-F863 HydrophobicContact CB-CE2 3.91Å; C861-F863 HydrophobicContact CB-CZ 4.38Å
862	I	91.3	Very high	87.8	Confident	0 Å²	0	39.5 Å²	39.5	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	117.5	175.6	-62.5	165.3	0	0	0	108.4	F801 I860 V867 V875 C899 L900 V902	F801-I862 HydrophobicContact CB-CB 4.46Å; F801-I862 HydrophobicContact CB-CG1 3.58Å; F801-I862 HydrophobicContact CD1-CG1 4.36Å; F801-I862 HydrophobicContact CD2-CD1 3.9Å; F801-I862 HydrophobicContact CD2-CG1 3.77Å; F801-I862 HydrophobicContact CE2-CD1 4.23Å; F801-I862 HydrophobicContact CG-CD1 4.21Å; F801-I862 HydrophobicContact CG-CG1 3.66Å; I860-I862 HydrophobicContact CG2-CG1 4.38Å; I862-V867 HydrophobicContact CG2-CB 3.61Å; I862-V867 HydrophobicContact CG2-CG2 3.69Å; I862-V875 HydrophobicContact CD1-CG1 3.48Å; I862-V875 VanDerWaalsContact CD1-CG1 3.48Å; I862-C899 WeakPolarHBondContact O-CA 3.28Å; I862-L900 HydrophobicContact CB-CB 4.16Å; I862-L900 HydrophobicContact CD1-CD2 4.24Å; I862-L900 PolarHBondContact N-O 2.67Å; I862-L900 PolarHBondContact O-N 3.28Å; I862-V902 HydrophobicContact CD1-CG2 3.94Å
863	F	89.7	Confident	87.9	Confident	33 Å²	33	42.7 Å²	42.7	15%	0.145	28%	0.279	C	S	.	.			trans	-96.2	152.1	178	-70.1	-83	0	0	0	111.3	H800 C861 T865 V866 V867 C899	H800-F863 AromaticContact CE1-CD2 3.91Å; H800-F863 AromaticContact CE1-CE2 3.25Å; H800-F863 WeakPolarHBondContact CE1-CE2 3.36Å; H800-F863 AromaticContact ND1-CD2 3.66Å; H800-F863 AromaticContact ND1-CE2 3.39Å; H800-F863 WeakPolarHBondContact ND1-CE2 3.46Å; C861-F863 HydrophobicContact CB-CE2 3.91Å; C861-F863 HydrophobicContact CB-CZ 4.38Å; F863-T865 PolarHBondContact O-N 3.21Å; F863-T865 VanDerWaalsContact O-N 3.1Å; F863-V866 HydrophobicContact CB-CG2 4.47Å; F863-V866 PolarHBondContact O-N 2.56Å; F863-V867 PolarHBondContact O-N 2.85Å; F863-C899 HydrophobicContact CD1-CB 3.98Å; F863-C899 HydrophobicContact CE1-CB 3.83Å; F863-C899 HydrophobicContact CZ-CB 4.28Å
864	P	87.3	Confident	87.9	Confident	46 Å²	46	40.2 Å²	40.2	30%	0.299	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-24.2	176.8	22	-33.6	0	0	0	113.7	V866 V867 N869 S898	P864-V866 VanDerWaalsContact C-N 3.29Å; P864-V867 WeakPolarHBondContact CA-O 3.29Å; P864-N869 WeakPolarHBondContact CB-OD1 3.49Å; P864-S898 VanDerWaalsContact CD-O 3.27Å; P864-S898 WeakPolarHBondContact CD-O 2.97Å
865	T	84.7	Confident	88.1	Confident	123 Å²	123	39 Å²	39	76%	0.755	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.5	-23.2	176.8	51.4	0	0	0	0	113.2	F863	F863-T865 PolarHBondContact O-N 3.21Å; F863-T865 VanDerWaalsContact O-N 3.1Å
866	V	87.6	Confident	88.5	Confident	14 Å²	14	36.4 Å²	36.4	9%	0.085	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.5	-50.5	-178.1	-176	0	0	0	0	110.1	F801 E802 F838 F863 P864	F801-V866 HydrophobicContact CD1-CG1 4.34Å; E802-V866 HydrophobicContact CB-CG1 4.14Å; E802-V866 VanDerWaalsContact OE2-CG2 3.27Å; E802-V866 WeakPolarHBondContact OE2-CG2 3.46Å; F838-V866 HydrophobicContact CD2-CG1 3.37Å; F838-V866 HydrophobicContact CE2-CG1 3.61Å; F838-V866 HydrophobicContact CG-CG1 4.27Å; F863-V866 HydrophobicContact CB-CG2 4.47Å; F863-V866 PolarHBondContact O-N 2.56Å; P864-V866 VanDerWaalsContact C-N 3.29Å
867	V	88.9	Confident	88.7	Confident	0 Å²	0	39.7 Å²	39.7	0%	0	23%	0.233	C	C	.	.	S	Bend	trans	-124.6	115.4	176	-176.9	0	0	0	0	108.2	F801 F838 I844 I862 F863 P864 L871 W872 V875	F801-V867 HydrophobicContact CD1-CG2 4.16Å; F801-V867 HydrophobicContact CE1-CG2 4.16Å; F838-V867 HydrophobicContact CB-CG2 3.8Å; F838-V867 HydrophobicContact CG-CG2 4.4Å; I844-V867 HydrophobicContact CD1-CG1 4.16Å; I862-V867 HydrophobicContact CG2-CB 3.61Å; I862-V867 HydrophobicContact CG2-CG2 3.69Å; F863-V867 PolarHBondContact O-N 2.85Å; P864-V867 WeakPolarHBondContact CA-O 3.29Å; V867-L871 HydrophobicContact CG1-CB 3.77Å; V867-L871 HydrophobicContact CG1-CD1 4.43Å; V867-W872 PolarHBondContact O-NE1 2.8Å; V867-V875 HydrophobicContact CG1-CG2 4.01Å
868	P	87.2	Confident	89.1	Confident	57 Å²	57	37.9 Å²	37.9	37%	0.37	22%	0.221	S	C	.	.			trans	-55	144.1	178.6	-26	33.3	0	0	0	112.5	S870 L871	P868-S870 PolarHBondContact O-N 3.36Å; P868-L871 PolarHBondContact O-N 2.67Å
869	N	87.1	Confident	89.3	Confident	85 Å²	85	36.9 Å²	36.9	46%	0.455	21%	0.214	S	C	.	.	G	3₁₀ helix	trans	-53.4	-29.6	179.9	-69.9	-1.8	0	0	0	113.5	P864 L871 W872	P864-N869 WeakPolarHBondContact CB-OD1 3.49Å; N869-L871 PolarHBondContact O-N 2.68Å; N869-W872 WeakPolarHBondContact O-CB 3.48Å; N869-W872 PolarHBondContact O-N 3.46Å; N869-W872 WeakPolarHBondContact OD1-CZ2 3.48Å
870	S	86.4	Confident	88.9	Confident	99 Å²	99	40.7 Å²	40.7	69%	0.692	23%	0.229	S	C	*	.	G	3₁₀ helix	trans	-62.4	-22.9	176.2	55.2	0	0	0	0	113.9	P868	P868-S870 PolarHBondContact O-N 3.36Å
871	L	89.2	Confident	88.6	Confident	40 Å²	40	48 Å²	48	21%	0.209	26%	0.256	C	S	.	.	G	3₁₀ helix	trans	-98.1	-5.7	178.4	-65.1	180	0	0	0	113.1	I844 V867 P868 N869 V874 V875	I844-L871 HydrophobicContact CD1-CD1 4.33Å; V867-L871 HydrophobicContact CG1-CB 3.77Å; V867-L871 HydrophobicContact CG1-CD1 4.43Å; P868-L871 PolarHBondContact O-N 2.67Å; N869-L871 PolarHBondContact O-N 2.68Å; L871-V874 HydrophobicContact CD2-CG2 4.46Å; L871-V874 WeakPolarHBondContact O-CA 3.46Å; L871-V874 VanDerWaalsContact O-CB 3.3Å; L871-V874 WeakPolarHBondContact O-CB 3.48Å; L871-V874 PolarHBondContact O-N 3.13Å; L871-V875 PolarHBondContact O-N 2.73Å
872	W	91.6	Very high	88.3	Confident	16 Å²	16	50.9 Å²	50.9	6%	0.061	27%	0.266	C	S	.	.	H	α-helix	trans	-58.5	-40.4	178.8	-70.8	10.3	0	0	0	113.6	V867 N869 V874 V875 Q876 V888 L900	V867-W872 PolarHBondContact O-NE1 2.8Å; N869-W872 WeakPolarHBondContact O-CB 3.48Å; N869-W872 PolarHBondContact O-N 3.46Å; N869-W872 WeakPolarHBondContact OD1-CZ2 3.48Å; W872-V874 PolarHBondContact O-N 3.49Å; W872-V875 WeakPolarHBondContact O-CB 3.44Å; W872-V875 PolarHBondContact O-N 2.68Å; W872-V875 VanDerWaalsContact O-N 3.1Å; W872-Q876 WeakPolarHBondContact O-CG 3.29Å; W872-Q876 PolarHBondContact O-N 3.12Å; W872-V888 HydrophobicContact CE3-CG1 4.39Å; W872-V888 HydrophobicContact CE3-CG2 3.74Å; W872-V888 HydrophobicContact CZ3-CB 4.36Å; W872-V888 HydrophobicContact CZ3-CG1 3.65Å; W872-V888 HydrophobicContact CZ3-CG2 3.85Å; W872-L900 HydrophobicContact CB-CD2 4.12Å; W872-L900 HydrophobicContact CD2-CB 4.07Å; W872-L900 HydrophobicContact CD2-CD2 4.43Å; W872-L900 HydrophobicContact CE3-CB 4.24Å; W872-L900 HydrophobicContact CG-CD2 4.07Å; W872-L900 HydrophobicContact CH2-CB 4.48Å; W872-L900 HydrophobicContact CZ2-CB 4.33Å; W872-L900 HydrophobicContact CZ3-CB 4.46Å
873	P	89.7	Confident	87.9	Confident	80 Å²	80	51.7 Å²	51.7	52%	0.519	28%	0.275	S	S	.	.	H	α-helix	trans	-58	-34.5	173.5	-25.9	36	0	0	0	113	Q876 Q877	P873-Q876 PolarHBondContact O-N 3.31Å; P873-Q877 WeakPolarHBondContact O-CB 3.26Å; P873-Q877 PolarHBondContact O-N 2.78Å
874	V	89.3	Confident	87.9	Confident	36 Å²	36	50.1 Å²	50.1	22%	0.218	27%	0.268	C	S	.	.	H	α-helix	trans	-69.4	-43.3	176.2	-178.6	0	0	0	0	110.6	L871 W872 Q876 Q877 H878	L871-V874 HydrophobicContact CD2-CG2 4.46Å; L871-V874 WeakPolarHBondContact O-CA 3.46Å; L871-V874 VanDerWaalsContact O-CB 3.3Å; L871-V874 WeakPolarHBondContact O-CB 3.48Å; L871-V874 PolarHBondContact O-N 3.13Å; W872-V874 PolarHBondContact O-N 3.49Å; V874-Q876 VanDerWaalsContact C-N 3.34Å; V874-Q876 PolarHBondContact O-N 2.87Å; V874-Q877 PolarHBondContact O-N 2.97Å; V874-H878 PolarHBondContact O-CD2 3.45Å; V874-H878 PolarHBondContact O-N 3.49Å
875	V	91.5	Very high	87.9	Confident	0 Å²	0	48 Å²	48	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-57.7	-47.7	173.3	178.6	0	0	0	0	110.6	I844 L848 I862 V867 L871 W872 Q877 H878 A879 L900 V902	I844-V875 HydrophobicContact CD1-CG2 4.23Å; I844-V875 HydrophobicContact CG2-CB 4.35Å; I844-V875 HydrophobicContact CG2-CG2 3.78Å; L848-V875 HydrophobicContact CD1-CG1 4.07Å; I862-V875 HydrophobicContact CD1-CG1 3.48Å; I862-V875 VanDerWaalsContact CD1-CG1 3.48Å; V867-V875 HydrophobicContact CG1-CG2 4.01Å; L871-V875 PolarHBondContact O-N 2.73Å; W872-V875 WeakPolarHBondContact O-CB 3.44Å; W872-V875 PolarHBondContact O-N 2.68Å; W872-V875 VanDerWaalsContact O-N 3.1Å; V875-Q877 VanDerWaalsContact C-N 3.34Å; V875-Q877 PolarHBondContact O-N 3.33Å; V875-H878 PolarHBondContact O-N 3.42Å; V875-A879 VanDerWaalsContact O-CB 3.28Å; V875-A879 WeakPolarHBondContact O-CB 2.98Å; V875-A879 PolarHBondContact O-N 2.81Å; V875-L900 HydrophobicContact CB-CD2 3.81Å; V875-L900 HydrophobicContact CG1-CD2 3.58Å; V875-L900 HydrophobicContact CG2-CD2 4.43Å; V875-V902 HydrophobicContact CG1-CG2 4.19Å
876	Q	91	Very high	88.1	Confident	37 Å²	37	42.2 Å²	42.2	17%	0.173	22%	0.218	C	C	.	.	H	α-helix	trans	-63	-41.7	179.1	-65.7	-179.6	-69.5	0	0	111.5	W872 P873 V874 H878 A879 R880 S886 L900	W872-Q876 WeakPolarHBondContact O-CG 3.29Å; W872-Q876 PolarHBondContact O-N 3.12Å; P873-Q876 PolarHBondContact O-N 3.31Å; V874-Q876 VanDerWaalsContact C-N 3.34Å; V874-Q876 PolarHBondContact O-N 2.87Å; Q876-H878 PolarHBondContact O-N 2.7Å; Q876-A879 PolarHBondContact O-N 3.48Å; Q876-R880 WeakPolarHBondContact O-CB 3.41Å; Q876-R880 VanDerWaalsContact O-CG 3.26Å; Q876-R880 WeakPolarHBondContact O-CG 3.34Å; Q876-R880 PolarHBondContact O-N 3.32Å; Q876-S886 WeakPolarHBondContact CG-OG 3.49Å; Q876-L900 HydrophobicContact CG-CD1 4.08Å; Q876-L900 HydrophobicContact CG-CD2 4.31Å
877	Q	88.9	Confident	88.1	Confident	98 Å²	98	44.8 Å²	44.8	46%	0.458	23%	0.227	S	C	.	.	H	α-helix	trans	-58.8	-46.8	175.2	-175.9	179.9	10.4	0	0	111.7	P873 V874 V875 R880 R881	P873-Q877 WeakPolarHBondContact O-CB 3.26Å; P873-Q877 PolarHBondContact O-N 2.78Å; V874-Q877 PolarHBondContact O-N 2.97Å; V875-Q877 VanDerWaalsContact C-N 3.34Å; V875-Q877 PolarHBondContact O-N 3.33Å; Q877-R880 PolarHBondContact O-N 2.86Å; Q877-R881 WeakPolarHBondContact O-CG 3.42Å; Q877-R881 PolarHBondContact O-N 3.23Å; Q877-R881 VanDerWaalsContact O-N 3.13Å
878	H	90.5	Very high	88	Confident	4 Å²	4	47.6 Å²	47.6	2%	0.019	24%	0.244	C	C	.	.	H	α-helix	trans	-67.9	-42.8	177.2	-70.8	-46.2	0	0	0	112.6	S841 E845 L848 V874 V875 Q876 R880 R881 W882	S841-H878 PolarHBondContact O-NE2 3.4Å; S841-H878 PolarHBondContact OG-NE2 3.39Å; E845-H878 VanDerWaalsContact CD-CE1 3.49Å; E845-H878 IonicContact OE1-CE1 3.3Å; E845-H878 IonicContact OE1-ND1 2.88Å; E845-H878 IonicContact OE2-CE1 3.55Å; E845-H878 PolarHBondContact OE2-CE1 3.2Å; E845-H878 VanDerWaalsContact OE2-CE1 3.23Å; E845-H878 IonicContact OE2-ND1 2.9Å; L848-H878 HydrophobicContact CD1-CB 3.55Å; V874-H878 PolarHBondContact O-CD2 3.45Å; V874-H878 PolarHBondContact O-N 3.49Å; V875-H878 PolarHBondContact O-N 3.42Å; Q876-H878 PolarHBondContact O-N 2.7Å; H878-R880 VanDerWaalsContact C-N 3.27Å; H878-R880 PolarHBondContact O-N 3.44Å; H878-R881 PolarHBondContact CE1-NH1 3.37Å; H878-R881 PolarHBondContact ND1-NH1 3.15Å; H878-R881 WeakPolarHBondContact O-CB 2.93Å; H878-R881 PolarHBondContact O-N 2.66Å; H878-R881 VanDerWaalsContact O-N 3.12Å; H878-W882 VanDerWaalsContact O-CD1 3.23Å; H878-W882 PolarHBondContact O-N 2.96Å; H878-W882 VanDerWaalsContact O-N 3.12Å
879	A	89.9	Confident	87.7	Confident	0 Å²	0	48.3 Å²	48.3	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-56.5	-44.5	176.5	0	0	0	0	0	110.6	L848 V875 Q876 W882 G883 L884 V902	L848-A879 HydrophobicContact CD1-CB 4.35Å; V875-A879 VanDerWaalsContact O-CB 3.28Å; V875-A879 WeakPolarHBondContact O-CB 2.98Å; V875-A879 PolarHBondContact O-N 2.81Å; Q876-A879 PolarHBondContact O-N 3.48Å; A879-W882 CarbonylContact O-C 3.59Å; A879-W882 PolarHBondContact O-N 3.12Å; A879-G883 PolarHBondContact O-N 3.12Å; A879-L884 HydrophobicContact CB-CB 4.06Å; A879-L884 HydrophobicContact CB-CD1 4.46Å; A879-L884 WeakPolarHBondContact O-CA 3.28Å; A879-L884 VanDerWaalsContact O-CB 3.29Å; A879-L884 WeakPolarHBondContact O-CB 2.96Å; A879-L884 PolarHBondContact O-N 2.68Å; A879-V902 HydrophobicContact CB-CG1 3.98Å
880	R	83.7	Confident	87	Confident	81 Å²	81	49.1 Å²	49.1	31%	0.306	25%	0.25	S	S	.	.	H	α-helix	trans	-62.9	-41	175.8	-73.1	174.1	-173.4	165.9	6.1	113.2	E781 Q876 Q877 H878 W882 G883	E781-R880 IonicContact OE1-NE 3.27Å; E781-R880 IonicContact OE2-CZ 3.78Å; E781-R880 IonicContact OE2-NE 3.93Å; E781-R880 PolarHBondContact OE2-NE 3.22Å; E781-R880 IonicContact OE2-NH2 2.71Å; E781-R880 PolarHBondContact OE2-NH2 2.86Å; Q876-R880 WeakPolarHBondContact O-CB 3.41Å; Q876-R880 VanDerWaalsContact O-CG 3.26Å; Q876-R880 WeakPolarHBondContact O-CG 3.34Å; Q876-R880 PolarHBondContact O-N 3.32Å; Q877-R880 PolarHBondContact O-N 2.86Å; H878-R880 VanDerWaalsContact C-N 3.27Å; H878-R880 PolarHBondContact O-N 3.44Å; R880-W882 PolarHBondContact O-N 2.87Å; R880-G883 PolarHBondContact O-N 2.84Å
881	R	83.4	Confident	85.8	Confident	153 Å²	153	49 Å²	49	58%	0.577	24%	0.237	S	C	*	.	H	α-helix	trans	-57.5	-37.5	174.9	-75.5	177.3	177.5	168.7	-1.7	111.8	E845 Q877 H878 G883	E845-R881 IonicContact OE1-NH1 3.69Å; Q877-R881 WeakPolarHBondContact O-CG 3.42Å; Q877-R881 PolarHBondContact O-N 3.23Å; Q877-R881 VanDerWaalsContact O-N 3.13Å; H878-R881 PolarHBondContact CE1-NH1 3.37Å; H878-R881 PolarHBondContact ND1-NH1 3.15Å; H878-R881 WeakPolarHBondContact O-CB 2.93Å; H878-R881 PolarHBondContact O-N 2.66Å; H878-R881 VanDerWaalsContact O-N 3.12Å; R881-G883 VanDerWaalsContact C-N 3.27Å; R881-G883 PolarHBondContact O-N 2.81Å
882	W	86.1	Confident	84	Confident	66 Å²	66	59.3 Å²	59.3	25%	0.25	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.3	15	175.1	-66.3	108.1	0	0	0	113.8	Q849 A852 H878 A879 R880 L884 Q1031	Q849-W882 HydrophobicContact CB-CD2 4.15Å; Q849-W882 HydrophobicContact CB-CH2 4.09Å; Q849-W882 HydrophobicContact CB-CZ2 3.53Å; Q849-W882 VanDerWaalsContact CD-CH2 3.48Å; Q849-W882 VanDerWaalsContact CD-CZ2 3.43Å; Q849-W882 HydrophobicContact CG-CD2 4.39Å; Q849-W882 HydrophobicContact CG-CE3 4.39Å; Q849-W882 HydrophobicContact CG-CH2 3.44Å; Q849-W882 VanDerWaalsContact CG-CH2 3.44Å; Q849-W882 HydrophobicContact CG-CZ2 3.4Å; Q849-W882 VanDerWaalsContact CG-CZ2 3.4Å; Q849-W882 HydrophobicContact CG-CZ3 3.95Å; A852-W882 HydrophobicContact CB-CB 3.85Å; A852-W882 HydrophobicContact CB-CE3 4.44Å; A852-W882 HydrophobicContact CB-CG 4.38Å; H878-W882 VanDerWaalsContact O-CD1 3.23Å; H878-W882 PolarHBondContact O-N 2.96Å; H878-W882 VanDerWaalsContact O-N 3.12Å; A879-W882 CarbonylContact O-C 3.59Å; A879-W882 PolarHBondContact O-N 3.12Å; R880-W882 PolarHBondContact O-N 2.87Å; W882-L884 HydrophobicContact CB-CD1 4.29Å; W882-L884 HydrophobicContact CB-CG 4.27Å; W882-L884 PolarHBondContact O-N 3.48Å; W882-L884 VanDerWaalsContact O-N 3.13Å; W882-Q1031 PolarHBondContact O-NE2 2.84Å; W882-Q1031 PolarHBondContact O-OE1 3.21Å; W882-Q1031 VanDerWaalsContact O-OE1 3.07Å
883	G	82	Confident	82	Confident	17 Å²	17	62.2 Å²	62.2	18%	0.175	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	66.2	14.9	176.9	0	0	0	0	0	115	A879 R880 R881 R905	A879-G883 PolarHBondContact O-N 3.12Å; R880-G883 PolarHBondContact O-N 2.84Å; R881-G883 VanDerWaalsContact C-N 3.27Å; R881-G883 PolarHBondContact O-N 2.81Å; G883-R905 PolarHBondContact O-NE 3.29Å; G883-R905 PolarHBondContact O-NH2 3.47Å
884	L	88.9	Confident	80.3	Confident	0 Å²	0	64.1 Å²	64.1	0%	0	31%	0.311	C	S	.	.			trans	-81.5	163.7	176.5	-56	171.5	0	0	0	110.5	L848 Y851 A852 A879 W882 V902 K904	L848-L884 HydrophobicContact CD2-CD1 4.36Å; Y851-L884 HydrophobicContact CD1-CD1 3.69Å; Y851-L884 HydrophobicContact CD1-CD2 3.94Å; Y851-L884 HydrophobicContact CD1-CG 4.47Å; Y851-L884 HydrophobicContact CE1-CD1 4.26Å; Y851-L884 HydrophobicContact CE1-CD2 3.92Å; A852-L884 HydrophobicContact CB-CD1 4.28Å; A852-L884 HydrophobicContact CB-CD2 4.21Å; A852-L884 HydrophobicContact CB-CG 4.36Å; A879-L884 HydrophobicContact CB-CB 4.06Å; A879-L884 HydrophobicContact CB-CD1 4.46Å; A879-L884 WeakPolarHBondContact O-CA 3.28Å; A879-L884 VanDerWaalsContact O-CB 3.29Å; A879-L884 WeakPolarHBondContact O-CB 2.96Å; A879-L884 PolarHBondContact O-N 2.68Å; W882-L884 HydrophobicContact CB-CD1 4.29Å; W882-L884 HydrophobicContact CB-CG 4.27Å; W882-L884 PolarHBondContact O-N 3.48Å; W882-L884 VanDerWaalsContact O-N 3.13Å; L884-V902 HydrophobicContact CB-CG1 3.97Å; L884-V902 HydrophobicContact CD1-CG1 3.8Å; L884-V902 HydrophobicContact CG-CG1 4.48Å; L884-K904 HydrophobicContact CD2-CG 3.68Å
885	L	87.7	Confident	78.6	Confident	1 Å²	1	67.9 Å²	67.9	1%	0.005	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	144.6	172.2	-56	175.2	0	0	0	109.6	E781 M784 V785 V902 C903 R905	E781-L885 HydrophobicContact CG-CB 4.43Å; E781-L885 HydrophobicContact CG-CD2 4.15Å; E781-L885 WeakPolarHBondContact OE1-CA 3.43Å; M784-L885 HydrophobicContact CB-CD1 3.87Å; M784-L885 HydrophobicContact CB-CD2 4.19Å; M784-L885 HydrophobicContact CE-CD1 4.44Å; M784-L885 HydrophobicContact CE-CD2 4.01Å; M784-L885 HydrophobicContact SD-CD2 4.38Å; V785-L885 HydrophobicContact CG2-CB 3.62Å; L885-V902 CarbonylContact O-C 3.4Å; L885-V902 WeakPolarHBondContact O-CA 3.42Å; L885-C903 PolarHBondContact N-O 2.99Å; L885-C903 PolarHBondContact O-N 3.41Å; L885-C903 PolarHBondContact O-SG 3.5Å; L885-R905 HydrophobicContact CD1-CG 3.94Å; L885-R905 HydrophobicContact CD2-CG 4.18Å; L885-R905 HydrophobicContact CG-CG 3.77Å
886	S	89.3	Confident	76.7	Confident	2 Å²	2	73.6 Å²	73.6	1%	0.014	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	142.9	-176.6	67.2	0	0	0	0	111.9	E781 Q876 I901	E781-S886 VanDerWaalsContact CD-OG 3.31Å; E781-S886 WeakPolarHBondContact CG-O 3.46Å; E781-S886 PolarHBondContact OE1-N 2.82Å; E781-S886 PolarHBondContact OE1-OG 3.05Å; E781-S886 PolarHBondContact OE2-OG 3.06Å; Q876-S886 WeakPolarHBondContact CG-OG 3.49Å; S886-I901 CarbonylContact C-O 3.55Å; S886-I901 WeakPolarHBondContact CA-O 3.1Å
887	R	87.5	Confident	75.6	Confident	68 Å²	68	74 Å²	74	26%	0.257	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	134.9	176.6	179	-175	-178.2	178.9	15.4	110.7	H782 V785 E786 E889 I901	H782-R887 HydrophobicContact CB-CG 3.92Å; V785-R887 HydrophobicContact CB-CB 4.16Å; V785-R887 HydrophobicContact CG1-CB 4.19Å; V785-R887 HydrophobicContact CG2-CB 3.93Å; E786-R887 VanDerWaalsContact CD-NH1 3.33Å; E786-R887 IonicContact OE1-CZ 3.65Å; E786-R887 IonicContact OE1-NH1 3.23Å; E786-R887 PolarHBondContact OE1-NH1 3.48Å; E786-R887 IonicContact OE1-NH2 3.69Å; E786-R887 PolarHBondContact OE1-NH2 2.89Å; R887-E889 PolarHBondContact O-N 2.81Å; R887-I901 PolarHBondContact N-O 3.24Å; R887-I901 PolarHBondContact O-N 2.62Å
888	V	87	Confident	75.3	Confident	60 Å²	60	70.5 Å²	70.5	36%	0.364	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	116.8	165.9	177.5	0	0	0	0	108.9	W872 V890 L900	W872-V888 HydrophobicContact CE3-CG1 4.39Å; W872-V888 HydrophobicContact CE3-CG2 3.74Å; W872-V888 HydrophobicContact CZ3-CB 4.36Å; W872-V888 HydrophobicContact CZ3-CG1 3.65Å; W872-V888 HydrophobicContact CZ3-CG2 3.85Å; V888-V890 HydrophobicContact CG1-CG2 4.46Å; V888-L900 HydrophobicContact CG2-CD1 4.02Å
889	E	81.2	Confident	75.2	Confident	72 Å²	72	70.3 Å²	70.3	34%	0.336	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	127	173.6	-168.3	178.2	-158.3	0	0	110	R887 S898 C899 I901	R887-E889 PolarHBondContact O-N 2.81Å; E889-S898 VanDerWaalsContact O-CA 3.28Å; E889-S898 WeakPolarHBondContact O-CA 3.18Å; E889-C899 PolarHBondContact N-O 3.33Å; E889-C899 PolarHBondContact O-N 3.06Å; E889-I901 HydrophobicContact CB-CD1 4.05Å; E889-I901 WeakPolarHBondContact OE2-CD1 3.45Å
890	V	71	Confident	75.2	Confident	102 Å²	102	70.3 Å²	70.3	62%	0.618	36%	0.359	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105.4	102.6	173.3	-175.8	0	0	0	0	107.5	V888 R892	V888-V890 HydrophobicContact CG1-CG2 4.46Å; V890-R892 PolarHBondContact O-N 3.4Å
891	K	62.3	Low	75.5	Confident	96 Å²	96	66.8 Å²	66.8	42%	0.417	35%	0.347	S	S	.	.			trans	-60.8	127.1	176.4	-77.1	-174.9	177.3	-179.4	0	109.8	S893	K891-S893 VanDerWaalsContact C-N 3.33Å
892	R	50.5	Low	75.8	Confident	256 Å²	256	59.5 Å²	59.5	97%	0.966	32%	0.319	S	S	*	.			trans	-78.8	-15.7	177.4	-64.7	-177.4	-174.5	145.1	1.2	113.2	V890	V890-R892 PolarHBondContact O-N 3.4Å
893	S	50.4	Low	76	Confident	78 Å²	78	56.3 Å²	56.3	55%	0.545	31%	0.307	S	S	.	.	S	Bend	trans	-72	151	175.4	53.2	0	0	0	0	110.5	K891 D895	K891-S893 VanDerWaalsContact C-N 3.33Å; S893-D895 CarbonylContact O-C 3.32Å; S893-D895 PolarHBondContact O-N 3.19Å
894	S	53.9	Low	76.4	Confident	120 Å²	120	56.7 Å²	56.7	84%	0.839	30%	0.304	S	S	*	.	S	Bend	trans	-43.7	-9.1	-165.4	50.6	0	0	0	0	120.3
895	D	53.3	Low	76.2	Confident	114 Å²	114	59.8 Å²	59.8	61%	0.61	32%	0.316	S	S	*	.	S	Bend	trans	-100.7	115.4	172	-74	-34.5	0	0	0	110.3	S893 S897	S893-D895 CarbonylContact O-C 3.32Å; S893-D895 PolarHBondContact O-N 3.19Å; D895-S897 PolarHBondContact O-N 3.48Å
896	P	52	Low	76	Confident	120 Å²	120	60.5 Å²	60.5	78%	0.779	32%	0.32	S	S	*	.			trans	-75.7	31.1	-176.1	33.5	-36.9	0	0	0	113.1	S898	P896-S898 PolarHBondContact O-N 2.93Å
897	S	67.5	Low	75.7	Confident	45 Å²	45	61.8 Å²	61.8	32%	0.315	33%	0.328	S	S	.	.			trans	-78.9	94	176.6	64	0	0	0	0	109.2	D895	D895-S897 PolarHBondContact O-N 3.48Å
898	S	82.6	Confident	75.7	Confident	25 Å²	25	59.5 Å²	59.5	18%	0.175	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.1	138.2	161	53.4	0	0	0	0	109.5	P864 E889 P896	P864-S898 VanDerWaalsContact CD-O 3.27Å; P864-S898 WeakPolarHBondContact CD-O 2.97Å; E889-S898 VanDerWaalsContact O-CA 3.28Å; E889-S898 WeakPolarHBondContact O-CA 3.18Å; P896-S898 PolarHBondContact O-N 2.93Å
899	C	88.3	Confident	75.7	Confident	0 Å²	0	59.4 Å²	59.4	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	153.5	169.2	58.2	0	0	0	0	110.1	I862 F863 E889	I862-C899 WeakPolarHBondContact O-CA 3.28Å; F863-C899 HydrophobicContact CD1-CB 3.98Å; F863-C899 HydrophobicContact CE1-CB 3.83Å; F863-C899 HydrophobicContact CZ-CB 4.28Å; E889-C899 PolarHBondContact N-O 3.33Å; E889-C899 PolarHBondContact O-N 3.06Å
900	L	90.7	Very high	76	Confident	0 Å²	0	59 Å²	59	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	118.5	169.2	173.2	66.2	0	0	0	107.9	I862 W872 V875 Q876 V888 V902	I862-L900 HydrophobicContact CB-CB 4.16Å; I862-L900 HydrophobicContact CD1-CD2 4.24Å; I862-L900 PolarHBondContact N-O 2.67Å; I862-L900 PolarHBondContact O-N 3.28Å; W872-L900 HydrophobicContact CB-CD2 4.12Å; W872-L900 HydrophobicContact CD2-CB 4.07Å; W872-L900 HydrophobicContact CD2-CD2 4.43Å; W872-L900 HydrophobicContact CE3-CB 4.24Å; W872-L900 HydrophobicContact CG-CD2 4.07Å; W872-L900 HydrophobicContact CH2-CB 4.48Å; W872-L900 HydrophobicContact CZ2-CB 4.33Å; W872-L900 HydrophobicContact CZ3-CB 4.46Å; V875-L900 HydrophobicContact CB-CD2 3.81Å; V875-L900 HydrophobicContact CG1-CD2 3.58Å; V875-L900 HydrophobicContact CG2-CD2 4.43Å; Q876-L900 HydrophobicContact CG-CD1 4.08Å; Q876-L900 HydrophobicContact CG-CD2 4.31Å; V888-L900 HydrophobicContact CG2-CD1 4.02Å; L900-V902 HydrophobicContact CG-CG2 4.4Å
901	I	90	Very high	76.8	Confident	7 Å²	7	54.3 Å²	54.3	4%	0.036	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	134.1	172.4	-67.2	172.9	0	0	0	108.4	M789 L795 P859 I860 S886 R887 E889 C903	M789-I901 HydrophobicContact SD-CG2 4.38Å; L795-I901 HydrophobicContact CD2-CD1 4.13Å; P859-I901 HydrophobicContact CB-CG2 3.98Å; I860-I901 CarbonylContact O-C 3.57Å; I860-I901 WeakPolarHBondContact O-CA 3.27Å; S886-I901 CarbonylContact C-O 3.55Å; S886-I901 WeakPolarHBondContact CA-O 3.1Å; R887-I901 PolarHBondContact N-O 3.24Å; R887-I901 PolarHBondContact O-N 2.62Å; E889-I901 HydrophobicContact CB-CD1 4.05Å; E889-I901 WeakPolarHBondContact OE2-CD1 3.45Å; I901-C903 HydrophobicContact CG2-CB 4.48Å
902	V	90.5	Very high	78.2	Confident	0 Å²	0	50.5 Å²	50.5	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	133.2	168	-178.3	0	0	0	0	108.7	L848 Y851 I860 I862 V875 A879 L884 L885 L900	L848-V902 HydrophobicContact CD2-CG1 3.98Å; L848-V902 HydrophobicContact CD2-CG2 4.44Å; Y851-V902 HydrophobicContact CE1-CG1 4.42Å; I860-V902 PolarHBondContact N-O 2.92Å; I860-V902 PolarHBondContact O-N 3.47Å; I862-V902 HydrophobicContact CD1-CG2 3.94Å; V875-V902 HydrophobicContact CG1-CG2 4.19Å; A879-V902 HydrophobicContact CB-CG1 3.98Å; L884-V902 HydrophobicContact CB-CG1 3.97Å; L884-V902 HydrophobicContact CD1-CG1 3.8Å; L884-V902 HydrophobicContact CG-CG1 4.48Å; L885-V902 CarbonylContact O-C 3.4Å; L885-V902 WeakPolarHBondContact O-CA 3.42Å; L900-V902 HydrophobicContact CG-CG2 4.4Å
903	C	90.1	Very high	80.2	Confident	0 Å²	0	39.7 Å²	39.7	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149	162.6	-172.2	63.6	0	0	0	0	112.5	M789 P859 L885 I901	M789-C903 HydrophobicContact CB-CB 4.49Å; M789-C903 HydrophobicContact CG-CB 3.49Å; M789-C903 VanDerWaalsContact CG-CB 3.49Å; M789-C903 WeakPolarHBondContact CG-SG 3.43Å; M789-C903 HydrophobicContact SD-CB 3.28Å; M789-C903 WeakPolarHBondContact SD-CB 3.34Å; M789-C903 PolarHBondContact SD-SG 3.49Å; P859-C903 HydrophobicContact CB-CB 4.01Å; L885-C903 PolarHBondContact N-O 2.99Å; L885-C903 PolarHBondContact O-N 3.41Å; L885-C903 PolarHBondContact O-SG 3.5Å; I901-C903 HydrophobicContact CG2-CB 4.48Å
904	K	89	Confident	82.1	Confident	25 Å²	25	36 Å²	36	11%	0.109	21%	0.207	C	C	.	.	P	Polyproline II helix	trans	-84.7	153.9	175.9	-70.9	176.8	-178.1	163.8	0	111.4	W790 Y851 S854 L856 L884	W790-K904 HydrophobicContact CB-CB 4.29Å; W790-K904 WeakPolarHBondContact CB-O 3.26Å; W790-K904 PolarHBondContact N-O 2.83Å; Y851-K904 HydrophobicContact CE1-CG 3.99Å; Y851-K904 WeakPolarHBondContact O-CE 3.43Å; Y851-K904 PolarHBondContact O-NZ 3.13Å; S854-K904 PolarHBondContact O-NZ 3.27Å; S854-K904 PolarHBondContact OG-NZ 2.93Å; L856-K904 WeakPolarHBondContact O-CD 3.25Å; L856-K904 WeakPolarHBondContact O-CE 3.35Å; L856-K904 PolarHBondContact O-NZ 3.48Å; L884-K904 HydrophobicContact CD2-CG 3.68Å
905	R	84.3	Confident	83.8	Confident	65 Å²	65	30.2 Å²	30.2	25%	0.245	17%	0.167	C	C	.	.	B	Isolated β-bridge	trans	-75.8	150.7	170.2	-60.9	179.8	-168.7	172.3	7.4	109.8	L776 G883 L885	L776-R905 VanDerWaalsContact CD2-NH2 3.33Å; G883-R905 PolarHBondContact O-NE 3.29Å; G883-R905 PolarHBondContact O-NH2 3.47Å; L885-R905 HydrophobicContact CD1-CG 3.94Å; L885-R905 HydrophobicContact CD2-CG 4.18Å; L885-R905 HydrophobicContact CG-CG 3.77Å
906	V	83.4	Confident	85.8	Confident	15 Å²	15	25.9 Å²	25.9	9%	0.091	14%	0.142	C	C	.	.	P	Polyproline II helix	trans	-64.6	135.7	166.2	176.5	0	0	0	0	110.2	L788 W790 L908 R910 L946	L788-V906 WeakPolarHBondContact O-CG2 3.32Å; L788-V906 PolarHBondContact O-N 2.85Å; W790-V906 HydrophobicContact CB-CG2 4.29Å; W790-V906 HydrophobicContact CE3-CB 4.29Å; W790-V906 HydrophobicContact CE3-CG1 4.13Å; W790-V906 HydrophobicContact CE3-CG2 4.18Å; W790-V906 HydrophobicContact CZ3-CG1 4.44Å; V906-L908 PolarHBondContact O-N 3.46Å; V906-R910 HydrophobicContact CG1-CB 4.41Å; V906-L946 HydrophobicContact CG1-CD1 3.59Å; V906-L946 HydrophobicContact CG1-CD2 3.48Å; V906-L946 VanDerWaalsContact CG1-CD2 3.48Å; V906-L946 HydrophobicContact CG1-CG 4.11Å
907	P	84	Confident	87.6	Confident	30 Å²	30	23.4 Å²	23.4	20%	0.195	12%	0.122	C	C	.	.	P	Polyproline II helix	trans	-49	128.4	170.2	-31.4	40	0	0	0	111.4	W790 S909 R910 L911	W790-P907 HydrophobicContact CE3-CG 4.03Å; W790-P907 HydrophobicContact CH2-CG 4.03Å; W790-P907 HydrophobicContact CZ3-CG 3.51Å; P907-S909 PolarHBondContact O-N 3.23Å; P907-R910 HydrophobicContact CB-CG 4.33Å; P907-R910 PolarHBondContact O-N 2.89Å; P907-R910 VanDerWaalsContact O-N 3.1Å; P907-L911 PolarHBondContact O-N 2.96Å; P907-L911 VanDerWaalsContact O-N 3.08Å
908	L	86.6	Confident	88.7	Confident	19 Å²	19	25 Å²	25	10%	0.099	13%	0.125	C	C	.	.	H	α-helix	trans	-59.5	-35	-175.6	-178.3	61.9	0	0	0	112	F699 S700 Q701 V906 R910 L911 K912	F699-L908 HydrophobicContact CE1-CD1 4.43Å; F699-L908 HydrophobicContact CZ-CD1 4.27Å; F699-L908 VanDerWaalsContact O-CD2 3.26Å; F699-L908 WeakPolarHBondContact O-CD2 3.37Å; S700-L908 WeakPolarHBondContact O-CD2 3.46Å; Q701-L908 HydrophobicContact CG-CD2 4.17Å; V906-L908 PolarHBondContact O-N 3.46Å; L908-R910 PolarHBondContact O-N 3.1Å; L908-L911 HydrophobicContact CD1-CD2 4.26Å; L908-L911 PolarHBondContact O-N 3.02Å; L908-K912 HydrophobicContact CD1-CD 4.42Å; L908-K912 HydrophobicContact CD1-CG 4.21Å; L908-K912 HydrophobicContact CG-CD 4.07Å; L908-K912 HydrophobicContact CG-CG 4.29Å; L908-K912 WeakPolarHBondContact O-CB 3.48Å; L908-K912 VanDerWaalsContact O-CG 3.3Å; L908-K912 WeakPolarHBondContact O-CG 3.34Å; L908-K912 PolarHBondContact O-N 2.93Å
909	S	88.2	Confident	89.1	Confident	59 Å²	59	29.3 Å²	29.3	41%	0.413	14%	0.142	S	C	.	.	H	α-helix	trans	-59.3	-44.4	176.6	54.6	0	0	0	0	112.4	P907 R913	P907-S909 PolarHBondContact O-N 3.23Å; S909-R913 WeakPolarHBondContact O-CB 3.37Å; S909-R913 PolarHBondContact O-N 3.44Å
910	R	87.7	Confident	89	Confident	64 Å²	64	35 Å²	35	24%	0.242	17%	0.169	C	C	.	.	H	α-helix	trans	-70.3	-39.6	176.9	-62	-169.9	62.7	-167	3.6	112.2	V906 P907 L908 R913 S914 D944 P945 L946	V906-R910 HydrophobicContact CG1-CB 4.41Å; P907-R910 HydrophobicContact CB-CG 4.33Å; P907-R910 PolarHBondContact O-N 2.89Å; P907-R910 VanDerWaalsContact O-N 3.1Å; L908-R910 PolarHBondContact O-N 3.1Å; R910-R913 WeakPolarHBondContact O-CB 3.37Å; R910-R913 PolarHBondContact O-N 2.99Å; R910-S914 WeakPolarHBondContact O-CB 3.46Å; R910-S914 PolarHBondContact O-N 2.8Å; R910-S914 PolarHBondContact O-OG 3Å; R910-D944 WeakPolarHBondContact CB-O 3.2Å; R910-D944 WeakPolarHBondContact CG-O 3.28Å; R910-D944 PolarHBondContact NE-O 3.2Å; R910-P945 PolarHBondContact NH2-O 3.39Å; R910-L946 HydrophobicContact CB-CD2 3.93Å; R910-L946 HydrophobicContact CB-CG 4.12Å
911	L	88	Confident	88.8	Confident	3 Å²	3	35.7 Å²	35.7	2%	0.016	17%	0.171	C	C	.	.	H	α-helix	trans	-59.7	-49.9	173.3	176.1	63.2	0	0	0	111	F699 L788 P907 L908 R913 S914 L915 Y921 L946	F699-L911 HydrophobicContact CE2-CD2 4.45Å; L788-L911 HydrophobicContact CD2-CD1 3.76Å; L788-L911 HydrophobicContact CD2-CD2 3.69Å; L788-L911 HydrophobicContact CD2-CG 4.33Å; P907-L911 PolarHBondContact O-N 2.96Å; P907-L911 VanDerWaalsContact O-N 3.08Å; L908-L911 HydrophobicContact CD1-CD2 4.26Å; L908-L911 PolarHBondContact O-N 3.02Å; L911-R913 VanDerWaalsContact C-N 3.35Å; L911-R913 PolarHBondContact O-N 3.44Å; L911-S914 PolarHBondContact O-N 2.82Å; L911-L915 HydrophobicContact CD1-CD1 3.97Å; L911-L915 HydrophobicContact CD1-CG 4.14Å; L911-L915 HydrophobicContact CG-CD1 3.9Å; L911-L915 HydrophobicContact CG-CG 4.47Å; L911-L915 WeakPolarHBondContact O-CB 3.48Å; L911-L915 WeakPolarHBondContact O-CG 3.37Å; L911-L915 PolarHBondContact O-N 3.36Å; L911-Y921 HydrophobicContact CD1-CD1 3.39Å; L911-Y921 HydrophobicContact CD1-CE1 4.13Å; L911-Y921 HydrophobicContact CD1-CG 3.97Å; L911-L946 HydrophobicContact CB-CD1 4.5Å; L911-L946 HydrophobicContact CD1-CD1 4.48Å
912	K	91.5	Very high	88.3	Confident	16 Å²	16	36.9 Å²	36.9	7%	0.07	19%	0.185	C	C	.	.	H	α-helix	trans	-58.3	-45.7	176.4	-76.5	178.6	175.1	175.8	0	111.2	D670 W672 L908 S914 L915 Y916 L940	D670-K912 PolarHBondContact O-NZ 3.49Å; W672-K912 HydrophobicContact CD2-CD 3.94Å; W672-K912 HydrophobicContact CD2-CG 3.88Å; W672-K912 HydrophobicContact CE3-CG 3.97Å; W672-K912 HydrophobicContact CG-CD 4.23Å; W672-K912 HydrophobicContact CH2-CB 3.74Å; W672-K912 HydrophobicContact CH2-CG 3.97Å; W672-K912 WeakPolarHBondContact CH2-O 3.45Å; W672-K912 HydrophobicContact CZ2-CB 3.68Å; W672-K912 HydrophobicContact CZ2-CD 4.13Å; W672-K912 HydrophobicContact CZ2-CG 3.84Å; W672-K912 HydrophobicContact CZ3-CB 4.22Å; W672-K912 HydrophobicContact CZ3-CG 4.02Å; L908-K912 HydrophobicContact CD1-CD 4.42Å; L908-K912 HydrophobicContact CD1-CG 4.21Å; L908-K912 HydrophobicContact CG-CD 4.07Å; L908-K912 HydrophobicContact CG-CG 4.29Å; L908-K912 WeakPolarHBondContact O-CB 3.48Å; L908-K912 VanDerWaalsContact O-CG 3.3Å; L908-K912 WeakPolarHBondContact O-CG 3.34Å; L908-K912 PolarHBondContact O-N 2.93Å; K912-S914 PolarHBondContact O-N 3.3Å; K912-L915 PolarHBondContact O-N 2.86Å; K912-Y916 WeakPolarHBondContact O-CB 3.15Å; K912-Y916 PolarHBondContact O-N 3.39Å; K912-L940 HydrophobicContact CB-CD1 3.8Å
913	R	91.5	Very high	87.9	Confident	28 Å²	28	37.6 Å²	37.6	11%	0.106	19%	0.19	C	C	.	.	H	α-helix	trans	-55.3	-52.5	175	179.2	84.4	-171.1	89.3	13.1	111.6	S909 R910 L911 Y916 D917 L940 Y941 A943 P945	S909-R913 WeakPolarHBondContact O-CB 3.37Å; S909-R913 PolarHBondContact O-N 3.44Å; R910-R913 WeakPolarHBondContact O-CB 3.37Å; R910-R913 PolarHBondContact O-N 2.99Å; L911-R913 VanDerWaalsContact C-N 3.35Å; L911-R913 PolarHBondContact O-N 3.44Å; R913-Y916 PolarHBondContact O-N 3.49Å; R913-D917 IonicContact CZ-OD1 3.08Å; R913-D917 IonicContact CZ-OD2 3.34Å; R913-D917 IonicContact NH1-OD1 2.68Å; R913-D917 PolarHBondContact NH1-OD1 3.02Å; R913-D917 IonicContact NH1-OD2 3.34Å; R913-D917 PolarHBondContact NH1-OD2 3.46Å; R913-D917 IonicContact NH2-OD1 2.73Å; R913-D917 IonicContact NH2-OD2 3.01Å; R913-D917 PolarHBondContact NH2-OD2 3.23Å; R913-D917 PolarHBondContact O-N 3.03Å; R913-D917 VanDerWaalsContact O-N 3.13Å; R913-L940 HydrophobicContact CB-CD1 4.47Å; R913-L940 WeakPolarHBondContact CD-O 3.47Å; R913-Y941 VanDerWaalsContact NH2-CD1 3.3Å; R913-A943 HydrophobicContact CB-CB 4.25Å; R913-A943 WeakPolarHBondContact CD-O 3.4Å; R913-A943 VanDerWaalsContact CG-O 3.32Å; R913-A943 WeakPolarHBondContact CG-O 3.31Å; R913-P945 HydrophobicContact CG-CB 4.08Å
914	S	90.5	Very high	87.8	Confident	0 Å²	0	37.6 Å²	37.6	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-62.4	-44.1	179.4	-80.3	0	0	0	0	112.6	R910 L911 K912 Y916 D917 Q918 L946	R910-S914 WeakPolarHBondContact O-CB 3.46Å; R910-S914 PolarHBondContact O-N 2.8Å; R910-S914 PolarHBondContact O-OG 3Å; L911-S914 PolarHBondContact O-N 2.82Å; K912-S914 PolarHBondContact O-N 3.3Å; S914-Y916 VanDerWaalsContact C-N 3.29Å; S914-Y916 PolarHBondContact O-N 3.46Å; S914-D917 PolarHBondContact O-N 2.89Å; S914-Q918 VanDerWaalsContact O-CB 3.3Å; S914-Q918 WeakPolarHBondContact O-CB 3.4Å; S914-Q918 PolarHBondContact O-N 2.82Å; S914-L946 WeakPolarHBondContact OG-CA 3.37Å; S914-L946 VanDerWaalsContact OG-CB 3.22Å; S914-L946 WeakPolarHBondContact OG-CB 3.28Å; S914-L946 PolarHBondContact OG-N 3.17Å; S914-L946 PolarHBondContact OG-O 3.01Å
915	L	91.1	Very high	87.9	Confident	0 Å²	0	39.9 Å²	39.9	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-61.3	-39.6	175.8	-76	171.4	0	0	0	111.6	W672 V758 L911 K912 D917 Q919 F924	W672-L915 HydrophobicContact CZ3-CB 4.28Å; V758-L915 HydrophobicContact CG1-CD1 4.38Å; V758-L915 HydrophobicContact CG2-CD1 4.36Å; L911-L915 HydrophobicContact CD1-CD1 3.97Å; L911-L915 HydrophobicContact CD1-CG 4.14Å; L911-L915 HydrophobicContact CG-CD1 3.9Å; L911-L915 HydrophobicContact CG-CG 4.47Å; L911-L915 WeakPolarHBondContact O-CB 3.48Å; L911-L915 WeakPolarHBondContact O-CG 3.37Å; L911-L915 PolarHBondContact O-N 3.36Å; K912-L915 PolarHBondContact O-N 2.86Å; L915-D917 PolarHBondContact O-N 3.05Å; L915-Q919 WeakPolarHBondContact O-CA 3.21Å; L915-Q919 PolarHBondContact O-N 3.29Å; L915-F924 HydrophobicContact CD1-CB 4.04Å; L915-F924 HydrophobicContact CD2-CB 3.78Å
916	Y	93.3	Very high	88.3	Confident	23 Å²	23	37.6 Å²	37.6	9%	0.09	19%	0.191	C	C	.	.	H	α-helix	trans	-67	-35.9	-179.8	-161.9	-99.7	0	0	0	113.2	W672 K912 R913 S914 L926 K929 L932 L937 L940 Y941	W672-Y916 HydrophobicContact CH2-CD2 4.39Å; K912-Y916 WeakPolarHBondContact O-CB 3.15Å; K912-Y916 PolarHBondContact O-N 3.39Å; R913-Y916 PolarHBondContact O-N 3.49Å; S914-Y916 VanDerWaalsContact C-N 3.29Å; S914-Y916 PolarHBondContact O-N 3.46Å; Y916-L926 HydrophobicContact CD2-CD2 4.3Å; Y916-K929 HydrophobicContact CE2-CB 4.01Å; Y916-K929 HydrophobicContact CE2-CD 4.13Å; Y916-K929 HydrophobicContact CE2-CG 4.13Å; Y916-K929 WeakPolarHBondContact O-CE 3.3Å; Y916-K929 PolarHBondContact O-NZ 3.46Å; Y916-L932 HydrophobicContact CE2-CD1 3.97Å; Y916-L937 HydrophobicContact CE1-CD2 3.88Å; Y916-L937 WeakPolarHBondContact OH-CD2 3.39Å; Y916-L940 HydrophobicContact CD1-CD2 3.78Å; Y916-L940 HydrophobicContact CD2-CD2 3.92Å; Y916-L940 HydrophobicContact CE1-CD2 4.34Å; Y916-L940 HydrophobicContact CE2-CD2 4.47Å; Y916-L940 HydrophobicContact CG-CD2 3.54Å; Y916-Y941 WeakPolarHBondContact CE1-OH 3.41Å
917	D	91.2	Very high	88.6	Confident	68 Å²	68	38.7 Å²	38.7	36%	0.364	20%	0.196	S	C	.	.	H	α-helix	trans	-83.2	-52.8	178.8	-80.2	1	0	0	0	112.8	R913 S914 L915	R913-D917 IonicContact CZ-OD1 3.08Å; R913-D917 IonicContact CZ-OD2 3.34Å; R913-D917 IonicContact NH1-OD1 2.68Å; R913-D917 PolarHBondContact NH1-OD1 3.02Å; R913-D917 IonicContact NH1-OD2 3.34Å; R913-D917 PolarHBondContact NH1-OD2 3.46Å; R913-D917 IonicContact NH2-OD1 2.73Å; R913-D917 IonicContact NH2-OD2 3.01Å; R913-D917 PolarHBondContact NH2-OD2 3.23Å; R913-D917 PolarHBondContact O-N 3.03Å; R913-D917 VanDerWaalsContact O-N 3.13Å; S914-D917 PolarHBondContact O-N 2.89Å; L915-D917 PolarHBondContact O-N 3.05Å
918	Q	89.6	Confident	88.9	Confident	79 Å²	79	40.2 Å²	40.2	37%	0.369	20%	0.203	S	C	.	.	H	α-helix	trans	-89	-9.3	-171.8	-58.6	174.8	11.5	0	0	112.8	S914 Q920 L946	S914-Q918 VanDerWaalsContact O-CB 3.3Å; S914-Q918 WeakPolarHBondContact O-CB 3.4Å; S914-Q918 PolarHBondContact O-N 2.82Å; Q918-Q920 PolarHBondContact O-N 2.84Å; Q918-L946 PolarHBondContact NE2-O 3.36Å; Q918-L946 VanDerWaalsContact NE2-O 3.17Å
919	Q	90.6	Very high	89.1	Confident	115 Å²	115	43 Å²	43	54%	0.537	21%	0.214	S	C	.	.	S	Bend	trans	62.8	-10.1	-175.3	-55	179.1	7.6	0	0	115.2	L915 Y925 L926	L915-Q919 WeakPolarHBondContact O-CA 3.21Å; L915-Q919 PolarHBondContact O-N 3.29Å; Q919-Y925 CarbonylContact O-C 3.52Å; Q919-Y925 WeakPolarHBondContact O-CA 3.43Å; Q919-L926 PolarHBondContact O-N 2.97Å
920	Q	88	Confident	89.2	Confident	120 Å²	120	40.8 Å²	40.8	56%	0.561	20%	0.201	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-150.6	146.4	177.7	61.7	-177	-1.2	0	0	110.3	Q918 F924	Q918-Q920 PolarHBondContact O-N 2.84Å; Q920-F924 CarbonylContact C-O 3.56Å; Q920-F924 WeakPolarHBondContact CA-O 3.24Å
921	Y	85.5	Confident	89.4	Confident	14 Å²	14	44 Å²	44	6%	0.055	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.9	119	172.8	-173.9	-91.9	0	0	0	109.8	N787 L788 L911 C923 F924 L946 F948	N787-Y921 VanDerWaalsContact O-CE1 3.25Å; N787-Y921 WeakPolarHBondContact O-CE1 3.28Å; L788-Y921 HydrophobicContact CD2-CD1 4.33Å; L788-Y921 HydrophobicContact CD2-CE1 4.29Å; L911-Y921 HydrophobicContact CD1-CD1 3.39Å; L911-Y921 HydrophobicContact CD1-CE1 4.13Å; L911-Y921 HydrophobicContact CD1-CG 3.97Å; Y921-C923 PolarHBondContact O-N 2.91Å; Y921-F924 PolarHBondContact N-O 3.34Å; Y921-F924 PolarHBondContact O-N 3Å; Y921-L946 HydrophobicContact CD1-CD1 4.14Å; Y921-L946 HydrophobicContact CD2-CB 4.31Å; Y921-L946 HydrophobicContact CD2-CD1 4.08Å; Y921-L946 HydrophobicContact CE1-CD1 3.67Å; Y921-L946 HydrophobicContact CE2-CB 3.6Å; Y921-L946 HydrophobicContact CE2-CD1 3.6Å; Y921-L946 HydrophobicContact CE2-CG 4.24Å; Y921-L946 HydrophobicContact CG-CD1 4.32Å; Y921-F948 AromaticContact CD2-CE2 3.82Å; Y921-F948 HydrophobicContact CD2-CE2 3.82Å; Y921-F948 HydrophobicContact CD2-CZ 4.22Å; Y921-F948 AromaticContact CE2-CE2 3.43Å; Y921-F948 HydrophobicContact CE2-CE2 3.43Å; Y921-F948 VanDerWaalsContact CE2-CE2 3.43Å; Y921-F948 AromaticContact CE2-CZ 3.52Å; Y921-F948 HydrophobicContact CE2-CZ 3.52Å
922	G	80.4	Confident	89.5	Confident	32 Å²	32	45 Å²	45	33%	0.33	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	58	-120.4	-177.1	0	0	0	0	0	111.4	I761 N787	I761-G922 WeakPolarHBondContact CD1-O 3.44Å; N787-G922 WeakPolarHBondContact OD1-CA 3.21Å
923	C	81.6	Confident	89.4	Confident	15 Å²	15	47 Å²	47	10%	0.101	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.7	0.2	177.1	54.8	0	0	0	0	114.3	L760 I761 V783 Y921	L760-C923 WeakPolarHBondContact CA-O 3.23Å; I761-C923 PolarHBondContact N-O 3.32Å; V783-C923 HydrophobicContact CG1-CB 4.41Å; Y921-C923 PolarHBondContact O-N 2.91Å
924	F	88.5	Confident	89.3	Confident	0 Å²	0	51.8 Å²	51.8	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	143.7	179.4	-58.8	-86.5	0	0	0	110.9	Y674 F699 V758 G759 L760 W777 I779 L788 L915 Q920 Y921	Y674-F924 AromaticContact CE2-CD1 3.95Å; Y674-F924 HydrophobicContact CE2-CD1 3.95Å; Y674-F924 AromaticContact CE2-CE1 3.71Å; Y674-F924 HydrophobicContact CE2-CE1 3.71Å; F699-F924 HydrophobicContact CD2-CE1 4.42Å; F699-F924 HydrophobicContact CE2-CD1 4.17Å; F699-F924 AromaticContact CE2-CE1 3.95Å; F699-F924 HydrophobicContact CE2-CE1 3.95Å; V758-F924 HydrophobicContact CG1-CB 4.02Å; V758-F924 HydrophobicContact CG1-CD1 3.8Å; V758-F924 HydrophobicContact CG1-CG 4.34Å; G759-F924 WeakPolarHBondContact O-CA 3.43Å; L760-F924 HydrophobicContact CD2-CD1 3.98Å; L760-F924 HydrophobicContact CD2-CE1 3.86Å; L760-F924 HydrophobicContact CD2-CZ 4.43Å; W777-F924 HydrophobicContact CE3-CE1 4.27Å; W777-F924 AromaticContact CE3-CZ 3.81Å; W777-F924 HydrophobicContact CE3-CZ 3.81Å; W777-F924 AromaticContact CZ3-CZ 3.96Å; W777-F924 HydrophobicContact CZ3-CZ 3.96Å; I779-F924 HydrophobicContact CD1-CE1 3.9Å; I779-F924 HydrophobicContact CD1-CE2 4.24Å; I779-F924 HydrophobicContact CD1-CZ 3.45Å; I779-F924 VanDerWaalsContact CD1-CZ 3.45Å; L788-F924 HydrophobicContact CD1-CD2 4.31Å; L788-F924 HydrophobicContact CD1-CE2 3.2Å; L788-F924 HydrophobicContact CD1-CZ 3.58Å; L788-F924 HydrophobicContact CD2-CD2 4.16Å; L788-F924 HydrophobicContact CD2-CE2 3.81Å; L788-F924 HydrophobicContact CG-CD2 4.39Å; L788-F924 HydrophobicContact CG-CE2 3.63Å; L788-F924 HydrophobicContact CG-CZ 4.48Å; L915-F924 HydrophobicContact CD1-CB 4.04Å; L915-F924 HydrophobicContact CD2-CB 3.78Å; Q920-F924 CarbonylContact C-O 3.56Å; Q920-F924 WeakPolarHBondContact CA-O 3.24Å; Y921-F924 PolarHBondContact N-O 3.34Å; Y921-F924 PolarHBondContact O-N 3Å
925	Y	89.9	Confident	89.1	Confident	73 Å²	73	58.1 Å²	58.1	29%	0.286	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	144.6	168.6	75.3	-72.7	0	0	0	110.3	V758 G759 L760 I761 Q919 I927	V758-Y925 WeakPolarHBondContact CA-O 3.48Å; G759-Y925 VanDerWaalsContact C-CD1 3.48Å; G759-Y925 PolarHBondContact N-O 2.71Å; G759-Y925 WeakPolarHBondContact O-CD1 3.39Å; G759-Y925 PolarHBondContact O-N 3.13Å; L760-Y925 WeakPolarHBondContact O-CE1 3.45Å; I761-Y925 HydrophobicContact CG1-CD1 3.84Å; I761-Y925 HydrophobicContact CG1-CG 4.28Å; Q919-Y925 CarbonylContact O-C 3.52Å; Q919-Y925 WeakPolarHBondContact O-CA 3.43Å; Y925-I927 HydrophobicContact CD2-CG1 3.95Å; Y925-I927 HydrophobicContact CE1-CG1 4.37Å; Y925-I927 HydrophobicContact CE2-CB 4.41Å; Y925-I927 HydrophobicContact CE2-CD1 4.18Å; Y925-I927 HydrophobicContact CE2-CG1 3.28Å; Y925-I927 PolarHBondContact O-N 2.97Å
926	L	92.2	Very high	89	Confident	17 Å²	17	58.4 Å²	58.4	9%	0.089	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	111.2	177.7	-167.6	68.7	0	0	0	108.5	W672 P756 V758 Y916 Q919 D928 K929	W672-L926 HydrophobicContact CH2-CD1 4.49Å; W672-L926 HydrophobicContact CZ3-CD1 3.91Å; P756-L926 HydrophobicContact CB-CD1 3.91Å; V758-L926 HydrophobicContact CG2-CD1 3.96Å; Y916-L926 HydrophobicContact CD2-CD2 4.3Å; Q919-L926 PolarHBondContact O-N 2.97Å; L926-D928 WeakPolarHBondContact CD1-O 3.46Å; L926-K929 HydrophobicContact CD2-CG 3.74Å
927	I	90.6	Very high	88.9	Confident	37 Å²	37	59.3 Å²	59.3	19%	0.19	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	-39.3	178.1	-65.4	166.1	0	0	0	110.3	L675 K680 V757 Y925	L675-I927 HydrophobicContact CD1-CD1 3.98Å; K680-I927 HydrophobicContact CB-CG2 4.16Å; K680-I927 HydrophobicContact CD-CG2 3.47Å; K680-I927 VanDerWaalsContact CD-CG2 3.47Å; K680-I927 HydrophobicContact CG-CG2 3.84Å; V757-I927 HydrophobicContact CB-CB 4.25Å; V757-I927 HydrophobicContact CG1-CB 4.1Å; V757-I927 HydrophobicContact CG1-CD1 4.09Å; V757-I927 HydrophobicContact CG1-CG2 4.42Å; V757-I927 WeakPolarHBondContact O-CB 3.26Å; V757-I927 PolarHBondContact O-N 3.41Å; Y925-I927 HydrophobicContact CD2-CG1 3.95Å; Y925-I927 HydrophobicContact CE1-CG1 4.37Å; Y925-I927 HydrophobicContact CE2-CB 4.41Å; Y925-I927 HydrophobicContact CE2-CD1 4.18Å; Y925-I927 HydrophobicContact CE2-CG1 3.28Å; Y925-I927 PolarHBondContact O-N 2.97Å
928	D	91.2	Very high	88.9	Confident	63 Å²	63	62.9 Å²	62.9	34%	0.337	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146	140.7	-177	-150.7	-35.8	0	0	0	110.2	K680 P756 V757 L926 G930	K680-D928 IonicContact NZ-OD2 3.88Å; K680-D928 PolarHBondContact NZ-OD2 3.01Å; P756-D928 CarbonylContact C-O 3.38Å; P756-D928 VanDerWaalsContact CA-O 3.32Å; P756-D928 WeakPolarHBondContact CA-O 3.41Å; V757-D928 HydrophobicContact CB-CB 3.82Å; V757-D928 HydrophobicContact CG2-CB 3.84Å; V757-D928 PolarHBondContact N-O 2.97Å; V757-D928 PolarHBondContact O-N 3.01Å; L926-D928 WeakPolarHBondContact CD1-O 3.46Å; D928-G930 PolarHBondContact OD1-N 3.49Å
929	K	90.4	Very high	88.9	Confident	76 Å²	76	62.1 Å²	62.1	33%	0.33	32%	0.318	S	S	.	.			trans	-81.3	-22.9	177.5	-72.9	-162.1	167.7	-153.4	0	112.4	P756 Y916 L926	P756-K929 VanDerWaalsContact CG-O 3.3Å; P756-K929 WeakPolarHBondContact CG-O 3.41Å; Y916-K929 HydrophobicContact CE2-CB 4.01Å; Y916-K929 HydrophobicContact CE2-CD 4.13Å; Y916-K929 HydrophobicContact CE2-CG 4.13Å; Y916-K929 WeakPolarHBondContact O-CE 3.3Å; Y916-K929 PolarHBondContact O-NZ 3.46Å; L926-K929 HydrophobicContact CD2-CG 3.74Å
930	G	90	Very high	88.9	Confident	14 Å²	14	57.5 Å²	57.5	14%	0.144	30%	0.297	C	S	.	.			trans	61.3	175.8	-169.9	0	0	0	0	0	112.9	D928	D928-G930 PolarHBondContact OD1-N 3.49Å
931	D	91	Very high	89.1	Confident	132 Å²	132	57.2 Å²	57.2	71%	0.706	29%	0.291	S	S	*	.			trans	-104.5	75.3	177.6	-69.1	-30.8	0	0	0	110.6	T754	T754-D931 CarbonylContact O-C 3.35Å; T754-D931 VanDerWaalsContact O-C 3.32Å; T754-D931 PolarHBondContact O-N 2.81Å
932	L	90	Very high	89.2	Confident	22 Å²	22	62.9 Å²	62.9	12%	0.115	32%	0.319	C	S	.	.			trans	-66.4	144.5	179.3	-71.8	177.4	0	0	0	112.5	T754 P756 Y916 A936 L937 L940	T754-L932 PolarHBondContact O-N 3Å; P756-L932 HydrophobicContact CG-CD1 3.93Å; P756-L932 HydrophobicContact CG-CD2 4.19Å; P756-L932 HydrophobicContact CG-CG 4.13Å; Y916-L932 HydrophobicContact CE2-CD1 3.97Å; L932-A936 HydrophobicContact CB-CB 4.35Å; L932-A936 HydrophobicContact CD2-CB 4.27Å; L932-L937 HydrophobicContact CB-CD2 4.01Å; L932-L937 HydrophobicContact CB-CG 3.95Å; L932-L937 HydrophobicContact CD1-CD2 3.93Å; L932-L940 HydrophobicContact CD1-CD2 4.34Å
933	T	89.4	Confident	89.5	Confident	59 Å²	59	62.1 Å²	62.1	36%	0.362	31%	0.309	S	S	.	.			trans	-65.1	156.1	173.4	67.6	0	0	0	0	111.3	D669 E935 A936 L937	D669-T933 WeakPolarHBondContact OD2-CG2 3.28Å; D669-T933 PolarHBondContact OD2-OG1 3.2Å; T933-E935 PolarHBondContact O-N 3.34Å; T933-A936 PolarHBondContact O-N 3.32Å; T933-A936 VanDerWaalsContact OG1-CB 3.27Å; T933-A936 WeakPolarHBondContact OG1-CB 3.41Å; T933-A936 PolarHBondContact OG1-N 2.89Å; T933-A936 VanDerWaalsContact OG1-N 3.14Å; T933-L937 PolarHBondContact O-N 3.48Å
934	T	89.5	Confident	89.7	Confident	128 Å²	128	67 Å²	67	79%	0.785	33%	0.334	S	S	*	.	H	α-helix	trans	-59.2	-32.8	177.7	49.1	0	0	0	0	112.5	K938	T934-K938 WeakPolarHBondContact O-CB 3.39Å; T934-K938 PolarHBondContact O-N 3.31Å
935	E	87.7	Confident	89.5	Confident	134 Å²	134	68.8 Å²	68.8	63%	0.626	35%	0.346	S	S	*	.	H	α-helix	trans	-72.7	-42.8	177.1	-174.2	165.8	-165.9	0	0	111.8	T933 L937 K938 R939	T933-E935 PolarHBondContact O-N 3.34Å; E935-L937 VanDerWaalsContact C-N 3.34Å; E935-L937 PolarHBondContact O-N 2.88Å; E935-K938 WeakPolarHBondContact O-CB 3.3Å; E935-K938 PolarHBondContact O-N 3.21Å; E935-R939 WeakPolarHBondContact O-CG 3.24Å; E935-R939 PolarHBondContact O-N 3.04Å
936	A	89	Confident	89	Confident	5 Å²	5	66 Å²	66	4%	0.041	34%	0.336	C	S	.	.	H	α-helix	trans	-60.9	-42.9	173.4	0	0	0	0	0	112.2	D669 L932 T933 R939 L940	D669-A936 HydrophobicContact CB-CB 3.63Å; L932-A936 HydrophobicContact CB-CB 4.35Å; L932-A936 HydrophobicContact CD2-CB 4.27Å; T933-A936 PolarHBondContact O-N 3.32Å; T933-A936 VanDerWaalsContact OG1-CB 3.27Å; T933-A936 WeakPolarHBondContact OG1-CB 3.41Å; T933-A936 PolarHBondContact OG1-N 2.89Å; T933-A936 VanDerWaalsContact OG1-N 3.14Å; A936-R939 PolarHBondContact O-N 2.82Å; A936-L940 WeakPolarHBondContact O-CB 3.36Å; A936-L940 PolarHBondContact O-N 2.98Å
937	L	90.9	Very high	87.6	Confident	42 Å²	42	69.4 Å²	69.4	22%	0.22	36%	0.36	C	S	.	.	H	α-helix	trans	-60.5	-47.3	173.4	-72.3	173.2	0	0	0	111.1	Y916 L932 T933 E935 R939 L940 Y941	Y916-L937 HydrophobicContact CE1-CD2 3.88Å; Y916-L937 WeakPolarHBondContact OH-CD2 3.39Å; L932-L937 HydrophobicContact CB-CD2 4.01Å; L932-L937 HydrophobicContact CB-CG 3.95Å; L932-L937 HydrophobicContact CD1-CD2 3.93Å; T933-L937 PolarHBondContact O-N 3.48Å; E935-L937 VanDerWaalsContact C-N 3.34Å; E935-L937 PolarHBondContact O-N 2.88Å; L937-R939 VanDerWaalsContact C-N 3.32Å; L937-R939 PolarHBondContact O-N 3.38Å; L937-L940 WeakPolarHBondContact O-CB 3.29Å; L937-L940 PolarHBondContact O-N 3.26Å; L937-Y941 HydrophobicContact CB-CD2 4.17Å; L937-Y941 HydrophobicContact CB-CE2 4.09Å; L937-Y941 HydrophobicContact CD2-CE2 4.07Å; L937-Y941 WeakPolarHBondContact O-CB 3.47Å; L937-Y941 WeakPolarHBondContact O-CD2 3.26Å; L937-Y941 PolarHBondContact O-N 3.17Å
938	K	90.9	Very high	85.8	Confident	143 Å²	143	73.1 Å²	73.1	62%	0.622	38%	0.375	S	S	*	.	H	α-helix	trans	-56.8	-46	177.7	-173.9	-176.9	176.3	-171.7	0	111.5	T934 E935 Y941 Q942	T934-K938 WeakPolarHBondContact O-CB 3.39Å; T934-K938 PolarHBondContact O-N 3.31Å; E935-K938 WeakPolarHBondContact O-CB 3.3Å; E935-K938 PolarHBondContact O-N 3.21Å; K938-Y941 PolarHBondContact O-N 3.08Å; K938-Q942 WeakPolarHBondContact O-CG 3.45Å; K938-Q942 PolarHBondContact O-N 3Å; K938-Q942 VanDerWaalsContact O-N 3.15Å
939	R	88.8	Confident	83.3	Confident	63 Å²	63	74.8 Å²	74.8	24%	0.238	39%	0.392	C	S	.	.	H	α-helix	trans	-62.5	-44.1	176.1	-73.1	-174.6	-76.5	100	-2.6	111.9	D669 D670 E935 A936 L937 Y941 Q942	D669-R939 IonicContact OD2-NH2 3.02Å; D670-R939 IonicContact OD1-CZ 2.8Å; D670-R939 IonicContact OD1-NH1 3.93Å; D670-R939 PolarHBondContact OD1-NH1 3.35Å; D670-R939 IonicContact OD2-NH1 3.77Å; D670-R939 PolarHBondContact OD2-NH1 3.25Å; E935-R939 WeakPolarHBondContact O-CG 3.24Å; E935-R939 PolarHBondContact O-N 3.04Å; A936-R939 PolarHBondContact O-N 2.82Å; L937-R939 VanDerWaalsContact C-N 3.32Å; L937-R939 PolarHBondContact O-N 3.38Å; R939-Y941 VanDerWaalsContact C-N 3.33Å; R939-Y941 PolarHBondContact O-N 2.82Å; R939-Q942 WeakPolarHBondContact O-CB 3.5Å; R939-Q942 PolarHBondContact O-N 2.83Å
940	L	90.6	Very high	80.8	Confident	19 Å²	19	79.6 Å²	79.6	10%	0.099	42%	0.415	C	S	.	.	H	α-helix	trans	-58.8	-44.5	175.2	-176.4	66.1	0	0	0	111.6	W672 K912 R913 Y916 L932 A936 L937 Q942 A943	W672-L940 HydrophobicContact CZ2-CD1 4.24Å; W672-L940 HydrophobicContact CZ2-CD2 4.48Å; K912-L940 HydrophobicContact CB-CD1 3.8Å; R913-L940 HydrophobicContact CB-CD1 4.47Å; R913-L940 WeakPolarHBondContact CD-O 3.47Å; Y916-L940 HydrophobicContact CD1-CD2 3.78Å; Y916-L940 HydrophobicContact CD2-CD2 3.92Å; Y916-L940 HydrophobicContact CE1-CD2 4.34Å; Y916-L940 HydrophobicContact CE2-CD2 4.47Å; Y916-L940 HydrophobicContact CG-CD2 3.54Å; L932-L940 HydrophobicContact CD1-CD2 4.34Å; A936-L940 WeakPolarHBondContact O-CB 3.36Å; A936-L940 PolarHBondContact O-N 2.98Å; L937-L940 WeakPolarHBondContact O-CB 3.29Å; L937-L940 PolarHBondContact O-N 3.26Å; L940-Q942 VanDerWaalsContact C-N 3.28Å; L940-Q942 PolarHBondContact O-N 3.36Å; L940-A943 PolarHBondContact O-N 3.23Å
941	Y	91.8	Very high	78.2	Confident	113 Å²	113	86.4 Å²	86.4	44%	0.443	45%	0.448	S	S	.	.	H	α-helix	trans	-72.9	-12.9	-178.9	-75.3	-65.9	0	0	0	114.3	R913 Y916 L937 K938 R939 A943	R913-Y941 VanDerWaalsContact NH2-CD1 3.3Å; Y916-Y941 WeakPolarHBondContact CE1-OH 3.41Å; L937-Y941 HydrophobicContact CB-CD2 4.17Å; L937-Y941 HydrophobicContact CB-CE2 4.09Å; L937-Y941 HydrophobicContact CD2-CE2 4.07Å; L937-Y941 WeakPolarHBondContact O-CB 3.47Å; L937-Y941 WeakPolarHBondContact O-CD2 3.26Å; L937-Y941 PolarHBondContact O-N 3.17Å; K938-Y941 PolarHBondContact O-N 3.08Å; R939-Y941 VanDerWaalsContact C-N 3.33Å; R939-Y941 PolarHBondContact O-N 2.82Å; Y941-A943 VanDerWaalsContact C-N 3.29Å
942	Q	89.5	Confident	75.5	Confident	134 Å²	134	83.2 Å²	83.2	63%	0.626	45%	0.447	S	S	*	.	H	α-helix	trans	-71.9	-24	172.1	-75	166.5	-16.7	0	0	112.5	K938 R939 L940	K938-Q942 WeakPolarHBondContact O-CG 3.45Å; K938-Q942 PolarHBondContact O-N 3Å; K938-Q942 VanDerWaalsContact O-N 3.15Å; R939-Q942 WeakPolarHBondContact O-CB 3.5Å; R939-Q942 PolarHBondContact O-N 2.83Å; L940-Q942 VanDerWaalsContact C-N 3.28Å; L940-Q942 PolarHBondContact O-N 3.36Å
943	A	85.3	Confident	72.7	Confident	16 Å²	16	86.8 Å²	86.8	13%	0.132	47%	0.474	C	S	.	.	S	Bend	trans	-79.3	138	177.6	0	0	0	0	0	111.6	R913 L940 Y941	R913-A943 HydrophobicContact CB-CB 4.25Å; R913-A943 WeakPolarHBondContact CD-O 3.4Å; R913-A943 VanDerWaalsContact CG-O 3.32Å; R913-A943 WeakPolarHBondContact CG-O 3.31Å; L940-A943 PolarHBondContact O-N 3.23Å; Y941-A943 VanDerWaalsContact C-N 3.29Å
944	D	86.2	Confident	69.9	Low	116 Å²	116	90.1 Å²	90.1	62%	0.62	49%	0.494	S	S	*	.	P	Polyproline II helix	trans	-70.5	132.2	174	-78.4	-31	0	0	0	111.2	R910	R910-D944 WeakPolarHBondContact CB-O 3.2Å; R910-D944 WeakPolarHBondContact CG-O 3.28Å; R910-D944 PolarHBondContact NE-O 3.2Å
945	P	84.3	Confident	66.9	Low	38 Å²	38	89.7 Å²	89.7	25%	0.247	49%	0.492	C	S	.	.	P	Polyproline II helix	trans	-65.1	153.7	174.8	28.6	-33.9	0	0	0	111.1	R910 R913 C947	R910-P945 PolarHBondContact NH2-O 3.39Å; R913-P945 HydrophobicContact CG-CB 4.08Å; P945-C947 PolarHBondContact O-N 3.24Å
946	L	78.4	Confident	64.6	Low	14 Å²	14	88.3 Å²	88.3	7%	0.073	49%	0.494	C	S	.	.			trans	-76.1	104.3	162.6	-49.6	164.5	0	0	0	107	V906 R910 L911 S914 Q918 Y921	V906-L946 HydrophobicContact CG1-CD1 3.59Å; V906-L946 HydrophobicContact CG1-CD2 3.48Å; V906-L946 VanDerWaalsContact CG1-CD2 3.48Å; V906-L946 HydrophobicContact CG1-CG 4.11Å; R910-L946 HydrophobicContact CB-CD2 3.93Å; R910-L946 HydrophobicContact CB-CG 4.12Å; L911-L946 HydrophobicContact CB-CD1 4.5Å; L911-L946 HydrophobicContact CD1-CD1 4.48Å; S914-L946 WeakPolarHBondContact OG-CA 3.37Å; S914-L946 VanDerWaalsContact OG-CB 3.22Å; S914-L946 WeakPolarHBondContact OG-CB 3.28Å; S914-L946 PolarHBondContact OG-N 3.17Å; S914-L946 PolarHBondContact OG-O 3.01Å; Q918-L946 PolarHBondContact NE2-O 3.36Å; Q918-L946 VanDerWaalsContact NE2-O 3.17Å; Y921-L946 HydrophobicContact CD1-CD1 4.14Å; Y921-L946 HydrophobicContact CD2-CB 4.31Å; Y921-L946 HydrophobicContact CD2-CD1 4.08Å; Y921-L946 HydrophobicContact CE1-CD1 3.67Å; Y921-L946 HydrophobicContact CE2-CB 3.6Å; Y921-L946 HydrophobicContact CE2-CD1 3.6Å; Y921-L946 HydrophobicContact CE2-CG 4.24Å; Y921-L946 HydrophobicContact CG-CD1 4.32Å
947	C	63.6	Low	61.7	Low	90 Å²	90	95.8 Å²	95.8	61%	0.608	53%	0.534	S	S	*	.			trans	-95.2	129.6	175.1	-76.8	0	0	0	0	110.1	P945	P945-C947 PolarHBondContact O-N 3.24Å
948	F	52.9	Low	58.8	Low	115 Å²	115	100.9 Å²	100.9	50%	0.504	56%	0.561	S	S	.	*			trans	-84.9	132.3	158.6	-63.5	-80.5	0	0	0	108	Y921 E950	Y921-F948 AromaticContact CD2-CE2 3.82Å; Y921-F948 HydrophobicContact CD2-CE2 3.82Å; Y921-F948 HydrophobicContact CD2-CZ 4.22Å; Y921-F948 AromaticContact CE2-CE2 3.43Å; Y921-F948 HydrophobicContact CE2-CE2 3.43Å; Y921-F948 VanDerWaalsContact CE2-CE2 3.43Å; Y921-F948 AromaticContact CE2-CZ 3.52Å; Y921-F948 HydrophobicContact CE2-CZ 3.52Å; F948-E950 VanDerWaalsContact C-N 3.26Å; F948-E950 PolarHBondContact O-N 3.39Å
949	S	38.8	Very low	55.8	Low	97 Å²	97	101.3 Å²	101.3	68%	0.678	57%	0.57	S	S	*	*			trans	-75.5	84.6	164.1	46.5	0	0	0	0	108.8	N951	S949-N951 PolarHBondContact O-N 2.92Å
950	E	37.6	Very low	52.9	Low	178 Å²	178	104.7 Å²	104.7	83%	0.832	60%	0.597	S	S	*	*			trans	-70.6	68.2	164.3	-84.8	-167.6	152.5	0	0	110	F948	F948-E950 VanDerWaalsContact C-N 3.26Å; F948-E950 PolarHBondContact O-N 3.39Å
951	N	35.6	Very low	50	Low	156 Å²	156	112 Å²	112	83%	0.834	63%	0.631	S	S	*	*			trans	-120.3	55.1	165.4	-77.7	-15.1	0	0	0	109.3	S949	S949-N951 PolarHBondContact O-N 2.92Å
952	G	33.5	Very low	46.8	Very low	66 Å²	66	111.1 Å²	111.1	68%	0.68	64%	0.642	S	S	*	*			trans	-114.8	23.3	166.2	0	0	0	0	0	112	T954	G952-T954 PolarHBondContact O-N 3.25Å
953	S	31.9	Very low	43.7	Very low	96 Å²	96	109.4 Å²	109.4	67%	0.671	64%	0.644	S	S	*	*			trans	-74.2	82.6	174.6	68.2	0	0	0	0	109.3	T955	S953-T955 PolarHBondContact O-N 3.44Å
954	T	30.1	Very low	41	Very low	130 Å²	130	115.2 Å²	115.2	80%	0.798	67%	0.673	S	S	*	*			trans	-64.1	88.7	162.6	-46.6	0	0	0	0	106.7	G952 P956	G952-T954 PolarHBondContact O-N 3.25Å; T954-P956 WeakPolarHBondContact O-CD 3.45Å
955	T	28.4	Very low	38	Very low	119 Å²	119	118.3 Å²	118.3	73%	0.73	68%	0.684	S	S	*	*			trans	-97.9	99.6	169.1	46.7	0	0	0	0	108.9	S953 N957	S953-T955 PolarHBondContact O-N 3.44Å; T955-N957 PolarHBondContact O-N 3.35Å
956	P	38.2	Very low	35.1	Very low	104 Å²	104	124.4 Å²	124.4	68%	0.675	71%	0.711	S	S	*	*			trans	-78.8	113.3	159.4	31.9	-25.7	0	0	0	106.2	T954	T954-P956 WeakPolarHBondContact O-CD 3.45Å
957	N	28.4	Very low	32.6	Very low	163 Å²	163	129 Å²	129	87%	0.872	74%	0.739	S	S	*	*			trans	-157.5	118.8	155.1	-100.6	-22.1	0	0	0	111.7	T955	T955-N957 PolarHBondContact O-N 3.35Å
958	D	29.1	Very low	30.8	Very low	149 Å²	149	133.3 Å²	133.3	80%	0.797	76%	0.756	S	S	*	*			trans	-54.3	162.9	161.7	-77.1	-47	0	0	0	112.7
959	N	29.8	Very low	29.3	Very low	151 Å²	151	131.9 Å²	131.9	81%	0.807	76%	0.761	S	S	*	*			trans	84	78.2	164.4	-64	-20.7	0	0	0	118	Q961	N959-Q961 PolarHBondContact O-N 3.19Å
960	V	26.6	Very low	28.8	Very low	135 Å²	135	133.2 Å²	133.2	82%	0.818	76%	0.76	S	S	*	*				12.2	98	110	-177.3	0	0	0	0	115.5
961	Q	29.5	Very low	28.3	Very low	171 Å²	171	133.5 Å²	133.5	80%	0.799	77%	0.767	S	S	*	*				176.7	91.5	116.6	-104.3	170	-1.1	0	0	111.8	N959	N959-Q961 PolarHBondContact O-N 3.19Å
962	S	25.5	Very low	28	Very low	96 Å²	96	133.1 Å²	133.1	67%	0.671	76%	0.764	S	S	*	*				28.4	111.6	126.2	56.2	0	0	0	0	120.4
963	S	24.6	Very low	27.7	Very low	97 Å²	97	135.1 Å²	135.1	68%	0.678	77%	0.768	S	S	*	*				69.4	123	117.1	73	0	0	0	0	120.2
964	D	27	Very low	27.5	Very low	138 Å²	138	136.1 Å²	136.1	74%	0.738	77%	0.774	S	S	*	*				-168.3	113.5	105.9	-85.7	-23.2	0	0	0	110.2
965	H	25.1	Very low	27.3	Very low	182 Å²	182	134.8 Å²	134.8	84%	0.843	77%	0.771	S	S	*	*	S	Bend		173.5	115.6	127.7	-93.6	-65.6	0	0	0	112.9
966	M	23.2	Very low	27.4	Very low	165 Å²	165	134.4 Å²	134.4	81%	0.813	77%	0.77	S	S	*	*			trans	65	91.1	154.6	-60.7	-149.8	137.8	0	0	118.6
967	T	25.3	Very low	27	Very low	111 Å²	111	135.3 Å²	135.3	68%	0.681	78%	0.776	S	S	*	*				55.2	88.3	77.6	70.6	0	0	0	0	115.6
968	N	24.9	Very low	27	Very low	180 Å²	180	133.6 Å²	133.6	96%	0.963	77%	0.771	S	S	*	*			trans	-140.1	84.8	139	-95.7	-20	0	0	0	107.1
969	S	22.9	Very low	27.3	Very low	86 Å²	86	137.1 Å²	137.1	60%	0.601	78%	0.775	S	S	*	*			trans	-120	141.9	-177.2	59.5	0	0	0	0	110.7
970	N	28.5	Very low	27.6	Very low	124 Å²	124	138.7 Å²	138.7	66%	0.663	78%	0.775	S	S	*	*			trans	101.7	77	150	-53.9	-27.5	0	0	0	117.5	L972	N970-L972 HydrophobicContact CB-CD1 4.35Å
971	L	26.7	Very low	28	Very low	185 Å²	185	142.6 Å²	142.6	97%	0.969	78%	0.775	S	S	*	*			trans	-96.8	79.9	138.2	-76.4	162.7	0	0	0	108	S973	L971-S973 PolarHBondContact O-N 3.33Å
972	L	28	Very low	28.7	Very low	147 Å²	147	141 Å²	141	77%	0.77	78%	0.777	S	S	*	*			trans	-89	93.8	170.8	-88.7	154.5	0	0	0	108.5	N970 S974	N970-L972 HydrophobicContact CB-CD1 4.35Å; L972-S974 PolarHBondContact O-N 3.38Å
973	S	28.9	Very low	29.5	Very low	109 Å²	109	140.8 Å²	140.8	76%	0.762	78%	0.775	S	S	*	*			trans	-86.2	94.3	168.1	66.7	0	0	0	0	109.7	L971 S975	L971-S973 PolarHBondContact O-N 3.33Å; S973-S975 PolarHBondContact O-N 2.85Å
974	S	26.3	Very low	30.4	Very low	116 Å²	116	140 Å²	140	81%	0.811	76%	0.764	S	S	*	*			trans	-68.5	108.4	169	56.8	0	0	0	0	109.8	L972	L972-S974 PolarHBondContact O-N 3.38Å
975	S	27.4	Very low	31.7	Very low	103 Å²	103	142.4 Å²	142.4	72%	0.72	77%	0.77	S	S	*	*			trans	-85	132.2	170.7	-53	0	0	0	0	109.1	S973	S973-S975 PolarHBondContact O-N 2.85Å
976	P	28.8	Very low	32.7	Very low	110 Å²	110	140.4 Å²	140.4	71%	0.714	76%	0.757	S	S	*	*			trans	-78.1	145.3	-177.5	13.3	-1.8	0	0	0	111.8	T978	P976-T978 PolarHBondContact O-N 2.89Å
977	P	30.4	Very low	33.9	Very low	124 Å²	124	136.7 Å²	136.7	81%	0.805	74%	0.74	S	S	*	*			trans	-76.1	112.9	-175.3	30.2	-31.6	0	0	0	110.5	Y979	P977-Y979 PolarHBondContact O-N 3.16Å
978	T	29.4	Very low	35.1	Very low	126 Å²	126	138.1 Å²	138.1	77%	0.773	74%	0.743	S	S	*	*			trans	-84.4	112.1	176.3	-24.9	0	0	0	0	109.3	P976 F980	P976-T978 PolarHBondContact O-N 2.89Å; T978-F980 PolarHBondContact O-N 3.15Å
979	Y	34.6	Very low	36.5	Very low	224 Å²	224	134.6 Å²	134.6	88%	0.878	72%	0.721	S	S	*	*	P	Polyproline II helix	trans	-62.9	117.2	173.1	-104	-99.7	0	0	0	110.2	P977 R981	P977-Y979 PolarHBondContact O-N 3.16Å; Y979-R981 PolarHBondContact O-N 2.87Å
980	F	36.1	Very low	37.6	Very low	183 Å²	183	134.2 Å²	134.2	80%	0.803	72%	0.717	S	S	*	*	P	Polyproline II helix	trans	-73.5	121	171.7	-87.1	-92.9	0	0	0	110	T978 T982	T978-F980 PolarHBondContact O-N 3.15Å; F980-T982 PolarHBondContact O-N 2.68Å
981	R	35.3	Very low	38.4	Very low	218 Å²	218	133.7 Å²	133.7	82%	0.823	72%	0.718	S	S	*	*	P	Polyproline II helix	trans	-78	117.2	179.3	-158.7	-179	-162.8	-172.9	3.3	108.9	Y979 S983	Y979-R981 PolarHBondContact O-N 2.87Å; R981-S983 PolarHBondContact O-N 3.03Å
982	T	43.7	Very low	39.8	Very low	137 Å²	137	127 Å²	127	84%	0.84	69%	0.685	S	S	*	*	S	Bend	trans	-73.7	24.8	-174.4	52.7	0	0	0	0	114.8	F980	F980-T982 PolarHBondContact O-N 2.68Å
983	S	41.5	Very low	40.7	Very low	91 Å²	91	126.6 Å²	126.6	64%	0.636	67%	0.673	S	S	*	*			trans	-126.5	68.7	179.4	64.7	0	0	0	0	108.9	R981	R981-S983 PolarHBondContact O-N 3.03Å
984	D	44.6	Very low	41.5	Very low	81 Å²	81	129.5 Å²	129.5	43%	0.433	67%	0.668	S	S	.	*			trans	-124.5	126.4	169.6	-175.7	15.6	0	0	0	107.5	Y986 R996	D984-Y986 PolarHBondContact O-N 3.48Å; D984-R996 IonicContact OD2-NH2 2.66Å; D984-R996 PolarHBondContact OD2-NH2 3.14Å
985	E	54.7	Low	42.4	Very low	188 Å²	188	126.5 Å²	126.5	88%	0.879	65%	0.651	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.9	-1.9	-161.9	-143	165.3	-165.3	0	0	113
986	Y	46	Very low	43.3	Very low	141 Å²	141	126.7 Å²	126.7	55%	0.553	64%	0.636	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.6	21.1	-178.2	-59.2	-79.8	0	0	0	114.1	D984 D988 T992	D984-Y986 PolarHBondContact O-N 3.48Å; Y986-D988 PolarHBondContact O-N 3.26Å; Y986-T992 PolarHBondContact O-OG1 3.02Å
987	N	48.4	Very low	44.4	Very low	86 Å²	86	126.6 Å²	126.6	46%	0.46	63%	0.626	S	S	.	*	T	Hydrogen-bonded Turn	trans	-63.7	-21.8	-177.3	-109.9	-5.8	0	0	0	114.3	R996	N987-R996 PolarHBondContact OD1-NH1 3.01Å
988	D	49.2	Very low	45.2	Very low	141 Å²	141	126.9 Å²	126.9	75%	0.754	61%	0.614	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.3	-0.8	-173.4	-70.5	-35.6	0	0	0	114.8	Y986 R993	Y986-D988 PolarHBondContact O-N 3.26Å; D988-R993 PolarHBondContact O-NH2 3.38Å
989	E	54.8	Low	46	Very low	107 Å²	107	125.2 Å²	125.2	50%	0.5	60%	0.6	S	S	.	*			trans	-82.3	127.4	-177.4	-160.8	143.9	-153.1	0	0	111.7	V991 T992 R993	E989-V991 VanDerWaalsContact C-N 3.32Å; E989-V991 PolarHBondContact O-N 3.38Å; E989-T992 PolarHBondContact O-N 3.28Å; E989-T992 PolarHBondContact O-OG1 3.13Å; E989-R993 PolarHBondContact O-N 3.13Å
990	P	45.7	Very low	46.8	Very low	77 Å²	77	118.6 Å²	118.6	50%	0.5	59%	0.586	S	S	.	*	H	α-helix	trans	-65.6	-30.7	-170.4	20.4	-31.6	0	0	0	114	R993 Y994	P990-R993 WeakPolarHBondContact O-CB 3.09Å; P990-R993 PolarHBondContact O-N 3.16Å; P990-Y994 WeakPolarHBondContact O-CD2 3.4Å; P990-Y994 PolarHBondContact O-N 3.45Å; P990-Y994 VanDerWaalsContact O-N 3.16Å
991	V	45.9	Very low	47.5	Very low	113 Å²	113	113.7 Å²	113.7	69%	0.685	57%	0.572	S	S	*	*	H	α-helix	trans	-68.4	-42.3	-180	-179.3	0	0	0	0	111.1	E989 R993 A995	E989-V991 VanDerWaalsContact C-N 3.32Å; E989-V991 PolarHBondContact O-N 3.38Å; V991-R993 VanDerWaalsContact C-N 3.29Å; V991-R993 PolarHBondContact O-N 2.87Å; V991-A995 PolarHBondContact O-N 3.45Å; V991-A995 VanDerWaalsContact O-N 3.13Å
992	T	56.4	Low	47.8	Very low	46 Å²	46	109 Å²	109	28%	0.282	56%	0.555	S	S	.	*	H	α-helix	trans	-69.2	-28.5	175.1	42.1	0	0	0	0	111.8	Y986 E989 R996	Y986-T992 PolarHBondContact O-OG1 3.02Å; E989-T992 PolarHBondContact O-N 3.28Å; E989-T992 PolarHBondContact O-OG1 3.13Å; T992-R996 VanDerWaalsContact O-CB 3.28Å; T992-R996 WeakPolarHBondContact O-CB 3.27Å; T992-R996 WeakPolarHBondContact O-CD 3.39Å; T992-R996 WeakPolarHBondContact O-CG 3.12Å; T992-R996 PolarHBondContact O-N 3.25Å
993	R	46.1	Very low	47.6	Very low	138 Å²	138	109.8 Å²	109.8	52%	0.521	55%	0.546	S	S	.	.	H	α-helix	trans	-65.9	-48.9	174.8	-157.5	-176.3	-60.9	136.3	3.7	112.1	D988 E989 P990 V991 R996 E997	D988-R993 PolarHBondContact O-NH2 3.38Å; E989-R993 PolarHBondContact O-N 3.13Å; P990-R993 WeakPolarHBondContact O-CB 3.09Å; P990-R993 PolarHBondContact O-N 3.16Å; V991-R993 VanDerWaalsContact C-N 3.29Å; V991-R993 PolarHBondContact O-N 2.87Å; R993-R996 PolarHBondContact O-N 2.87Å; R993-E997 WeakPolarHBondContact O-CB 3.38Å; R993-E997 PolarHBondContact O-N 3.04Å
994	Y	46	Very low	47.6	Very low	170 Å²	170	112.1 Å²	112.1	67%	0.667	56%	0.557	S	S	*	*	H	α-helix	trans	-64.8	-42.7	177.5	-86.6	-70.6	0	0	0	112.6	P990 R996 E997 F998	P990-Y994 WeakPolarHBondContact O-CD2 3.4Å; P990-Y994 PolarHBondContact O-N 3.45Å; P990-Y994 VanDerWaalsContact O-N 3.16Å; Y994-R996 VanDerWaalsContact C-N 3.28Å; Y994-R996 PolarHBondContact O-N 3.3Å; Y994-E997 PolarHBondContact O-N 3.45Å; Y994-F998 WeakPolarHBondContact O-CB 3.28Å; Y994-F998 PolarHBondContact O-N 2.95Å
995	A	46.2	Very low	47.2	Very low	53 Å²	53	118.1 Å²	118.1	44%	0.438	57%	0.574	S	S	.	*	H	α-helix	trans	-61.9	-37.7	175.9	0	0	0	0	0	111.9	V991 L999	V991-A995 PolarHBondContact O-N 3.45Å; V991-A995 VanDerWaalsContact O-N 3.13Å; A995-L999 WeakPolarHBondContact O-CB 3.25Å; A995-L999 VanDerWaalsContact O-CG 3.26Å; A995-L999 WeakPolarHBondContact O-CG 3.39Å; A995-L999 PolarHBondContact O-N 3.08Å
996	R	45.8	Very low	46.2	Very low	107 Å²	107	114 Å²	114	40%	0.404	56%	0.556	S	S	.	*	H	α-helix	trans	-71.3	-38.6	175.6	-73.5	173.3	-168.5	-164.1	3.4	112.3	D984 N987 T992 R993 Y994 F998 L999 S1000	D984-R996 IonicContact OD2-NH2 2.66Å; D984-R996 PolarHBondContact OD2-NH2 3.14Å; N987-R996 PolarHBondContact OD1-NH1 3.01Å; T992-R996 VanDerWaalsContact O-CB 3.28Å; T992-R996 WeakPolarHBondContact O-CB 3.27Å; T992-R996 WeakPolarHBondContact O-CD 3.39Å; T992-R996 WeakPolarHBondContact O-CG 3.12Å; T992-R996 PolarHBondContact O-N 3.25Å; R993-R996 PolarHBondContact O-N 2.87Å; Y994-R996 VanDerWaalsContact C-N 3.28Å; Y994-R996 PolarHBondContact O-N 3.3Å; R996-F998 VanDerWaalsContact C-N 3.34Å; R996-L999 PolarHBondContact O-N 3.49Å; R996-S1000 WeakPolarHBondContact O-CB 3.42Å; R996-S1000 PolarHBondContact O-N 3.14Å; R996-S1000 PolarHBondContact O-OG 3.14Å; R996-S1000 VanDerWaalsContact O-OG 3.13Å
997	E	50.6	Low	45.5	Very low	108 Å²	108	116.7 Å²	116.7	51%	0.505	57%	0.571	S	S	.	*	H	α-helix	trans	-65.6	-38.6	175.4	-168.1	171.7	-161.5	0	0	111.5	R993 Y994 S1000 T1001	R993-E997 WeakPolarHBondContact O-CB 3.38Å; R993-E997 PolarHBondContact O-N 3.04Å; Y994-E997 PolarHBondContact O-N 3.45Å; E997-S1000 WeakPolarHBondContact CA-OG 3.46Å; E997-S1000 PolarHBondContact O-N 3.02Å; E997-S1000 PolarHBondContact O-OG 3.1Å; E997-T1001 VanDerWaalsContact O-CB 3.24Å; E997-T1001 WeakPolarHBondContact O-CB 3.31Å; E997-T1001 PolarHBondContact O-N 3.02Å; E997-T1001 PolarHBondContact O-OG1 2.85Å
998	F	47.2	Very low	44.7	Very low	130 Å²	130	122.3 Å²	122.3	57%	0.57	59%	0.591	S	S	*	*	H	α-helix	trans	-62.9	-47.5	171.7	-170.6	-96.2	0	0	0	111.3	Y994 R996 S1000 T1001 Y1002	Y994-F998 WeakPolarHBondContact O-CB 3.28Å; Y994-F998 PolarHBondContact O-N 2.95Å; R996-F998 VanDerWaalsContact C-N 3.34Å; F998-S1000 PolarHBondContact O-N 3.05Å; F998-T1001 PolarHBondContact O-N 3.34Å; F998-Y1002 AromaticContact CD2-CD2 3.94Å; F998-Y1002 HydrophobicContact CD2-CD2 3.94Å; F998-Y1002 HydrophobicContact CD2-CE2 4.28Å; F998-Y1002 HydrophobicContact CE2-CD2 4.1Å; F998-Y1002 HydrophobicContact CE2-CE2 4.44Å; F998-Y1002 HydrophobicContact CG-CD2 4.4Å; F998-Y1002 WeakPolarHBondContact O-CB 3.48Å; F998-Y1002 WeakPolarHBondContact O-CD2 3.49Å; F998-Y1002 PolarHBondContact O-N 3.13Å
999	L	46.2	Very low	43.9	Very low	91 Å²	91	124.4 Å²	124.4	48%	0.476	60%	0.597	S	S	.	*	H	α-helix	trans	-68.2	-30.6	178.5	-74	168.8	0	0	0	113.8	A995 R996 K1003 I1006	A995-L999 WeakPolarHBondContact O-CB 3.25Å; A995-L999 VanDerWaalsContact O-CG 3.26Å; A995-L999 WeakPolarHBondContact O-CG 3.39Å; A995-L999 PolarHBondContact O-N 3.08Å; R996-L999 PolarHBondContact O-N 3.49Å; L999-K1003 VanDerWaalsContact O-CB 3.25Å; L999-K1003 WeakPolarHBondContact O-CB 3.4Å; L999-K1003 WeakPolarHBondContact O-CG 3.45Å; L999-K1003 PolarHBondContact O-N 2.88Å; L999-I1006 HydrophobicContact CD2-CD1 3.71Å
1000	S	51.8	Low	42.8	Very low	84 Å²	84	124.2 Å²	124.2	59%	0.587	61%	0.607	S	S	*	*	H	α-helix	trans	-77.8	-38.6	177.2	62.5	0	0	0	0	111.8	R996 E997 F998	R996-S1000 WeakPolarHBondContact O-CB 3.42Å; R996-S1000 PolarHBondContact O-N 3.14Å; R996-S1000 PolarHBondContact O-OG 3.14Å; R996-S1000 VanDerWaalsContact O-OG 3.13Å; E997-S1000 WeakPolarHBondContact CA-OG 3.46Å; E997-S1000 PolarHBondContact O-N 3.02Å; E997-S1000 PolarHBondContact O-OG 3.1Å; F998-S1000 PolarHBondContact O-N 3.05Å
1001	T	51.7	Low	42.1	Very low	80 Å²	80	127.9 Å²	127.9	49%	0.491	62%	0.623	S	S	.	*	H	α-helix	trans	-76.6	-37.1	-177.2	-50.7	0	0	0	0	111.7	E997 F998	E997-T1001 VanDerWaalsContact O-CB 3.24Å; E997-T1001 WeakPolarHBondContact O-CB 3.31Å; E997-T1001 PolarHBondContact O-N 3.02Å; E997-T1001 PolarHBondContact O-OG1 2.85Å; F998-T1001 PolarHBondContact O-N 3.34Å
1002	Y	41.3	Very low	41.5	Very low	120 Å²	120	131 Å²	131	47%	0.471	63%	0.63	S	S	.	*	S	Bend	trans	-110.6	15.6	-170.3	-62.9	-78.7	0	0	0	114.4	F998 T1004 R1005	F998-Y1002 AromaticContact CD2-CD2 3.94Å; F998-Y1002 HydrophobicContact CD2-CD2 3.94Å; F998-Y1002 HydrophobicContact CD2-CE2 4.28Å; F998-Y1002 HydrophobicContact CE2-CD2 4.1Å; F998-Y1002 HydrophobicContact CE2-CE2 4.44Å; F998-Y1002 HydrophobicContact CG-CD2 4.4Å; F998-Y1002 WeakPolarHBondContact O-CB 3.48Å; F998-Y1002 WeakPolarHBondContact O-CD2 3.49Å; F998-Y1002 PolarHBondContact O-N 3.13Å; Y1002-T1004 PolarHBondContact O-N 3Å; Y1002-R1005 PolarHBondContact O-N 2.95Å
1003	K	39.9	Very low	40.4	Very low	153 Å²	153	135.5 Å²	135.5	67%	0.665	65%	0.652	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.4	-19.7	-176.7	-138.5	175.3	-175.1	177	0	114.8	L999 R1005	L999-K1003 VanDerWaalsContact O-CB 3.25Å; L999-K1003 WeakPolarHBondContact O-CB 3.4Å; L999-K1003 WeakPolarHBondContact O-CG 3.45Å; L999-K1003 PolarHBondContact O-N 2.88Å; K1003-R1005 VanDerWaalsContact C-N 3.34Å
1004	T	40.8	Very low	39.7	Very low	140 Å²	140	135.8 Å²	135.8	86%	0.859	66%	0.664	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.5	-5.3	175.8	47.5	0	0	0	0	114.2	Y1002	Y1002-T1004 PolarHBondContact O-N 3Å
1005	R	35.6	Very low	39	Very low	208 Å²	208	133.7 Å²	133.7	79%	0.785	67%	0.673	S	S	*	*	S	Bend	trans	-116.6	5	-179	-74.9	-171.3	180	179.7	1.7	115.6	Y1002 K1003 K1007	Y1002-R1005 PolarHBondContact O-N 2.95Å; K1003-R1005 VanDerWaalsContact C-N 3.34Å; R1005-K1007 PolarHBondContact O-N 3.3Å; R1005-K1007 VanDerWaalsContact O-N 3.15Å
1006	I	33.6	Very low	38.5	Very low	100 Å²	100	138.8 Å²	138.8	51%	0.513	69%	0.693	S	S	.	*			trans	-81.3	99.7	174.2	-55.3	175.5	0	0	0	108.2	L999 K1008	L999-I1006 HydrophobicContact CD2-CD1 3.71Å; I1006-K1008 PolarHBondContact O-N 3.22Å
1007	K	33.1	Very low	38	Very low	199 Å²	199	141.3 Å²	141.3	87%	0.865	71%	0.713	S	S	*	*	P	Polyproline II helix	trans	-54.4	120.3	169.2	-95.5	175.8	173.2	174.2	0	108.3	R1005 E1009	R1005-K1007 PolarHBondContact O-N 3.3Å; R1005-K1007 VanDerWaalsContact O-N 3.15Å; K1007-E1009 PolarHBondContact O-N 2.87Å
1008	K	31.4	Very low	37.4	Very low	203 Å²	203	143.7 Å²	143.7	88%	0.883	73%	0.728	S	S	*	*	P	Polyproline II helix	trans	-73.9	117.5	163.9	-98.4	-177.3	172.7	-178.6	0	107.5	I1006	I1006-K1008 PolarHBondContact O-N 3.22Å
1009	E	30.8	Very low	36.9	Very low	186 Å²	186	143.9 Å²	143.9	87%	0.869	74%	0.735	S	S	*	*	P	Polyproline II helix	trans	-56.2	136.5	166.8	-74	176.4	155	0	0	110	K1007 N1011	K1007-E1009 PolarHBondContact O-N 2.87Å; E1009-N1011 PolarHBondContact O-N 3.3Å
1010	S	32.6	Very low	36.5	Very low	103 Å²	103	147 Å²	147	72%	0.72	75%	0.752	S	S	*	*	P	Polyproline II helix	trans	-72.8	119.3	175	44.8	0	0	0	0	109.3	E1012	S1010-E1012 VanDerWaalsContact C-N 3.34Å; S1010-E1012 PolarHBondContact O-N 3.38Å
1011	N	30.9	Very low	35.7	Very low	154 Å²	154	149.7 Å²	149.7	82%	0.824	76%	0.76	S	S	*	*			trans	-61.3	93.1	166.5	-83.3	-3.1	0	0	0	109.4	E1009	E1009-N1011 PolarHBondContact O-N 3.3Å
1012	E	34.3	Very low	34.9	Very low	179 Å²	179	152 Å²	152	84%	0.836	78%	0.777	S	S	*	*			trans	-104.7	85.1	159.9	-70.7	-158.6	161.3	0	0	109	S1010 N1014	S1010-E1012 VanDerWaalsContact C-N 3.34Å; S1010-E1012 PolarHBondContact O-N 3.38Å; E1012-N1014 PolarHBondContact O-N 3.01Å
1013	D	32.5	Very low	34.5	Very low	140 Å²	140	152 Å²	152	75%	0.749	79%	0.79	S	S	*	*			trans	-69.2	105.1	163.7	-76.8	-39.1	0	0	0	109.3
1014	N	31.3	Very low	34	Very low	144 Å²	144	153.1 Å²	153.1	77%	0.77	80%	0.802	S	S	*	*			trans	155.9	91.3	137.6	-88.7	-42.1	0	0	0	111	E1012	E1012-N1014 PolarHBondContact O-N 3.01Å
1015	C	31.9	Very low	33.7	Very low	126 Å²	126	150 Å²	150	85%	0.851	78%	0.783	S	S	*	*			trans	-144	90.3	153	-87.4	0	0	0	0	108.6	L1017	C1015-L1017 PolarHBondContact O-N 3.35Å
1016	N	34.4	Very low	33.5	Very low	159 Å²	159	146.1 Å²	146.1	85%	0.85	78%	0.783	S	S	*	*			trans	-69.7	99	160.5	-77.5	-34	0	0	0	108
1017	L	37	Very low	33.5	Very low	160 Å²	160	145.4 Å²	145.4	84%	0.838	79%	0.792	S	S	*	*			trans	-140.8	122.5	157.3	-98.6	113.4	0	0	0	111.1	C1015	C1015-L1017 PolarHBondContact O-N 3.35Å
1018	I	36.6	Very low	33.4	Very low	159 Å²	159	143.5 Å²	143.5	82%	0.815	79%	0.786	S	S	*	*			trans	-34.8	130.4	176.8	-67.5	150.8	0	0	0	113.7	D1020	I1018-D1020 PolarHBondContact O-N 3.22Å
1019	N	36.8	Very low	33.4	Very low	133 Å²	133	140.1 Å²	140.1	71%	0.711	78%	0.776	S	S	*	*			trans	-51.6	112.6	171.8	-65.1	3.5	0	0	0	111.8
1020	D	37.2	Very low	33.8	Very low	156 Å²	156	137.4 Å²	137.4	83%	0.834	77%	0.768	S	S	*	*			trans	-107	97.1	148.8	-80.6	-33.5	0	0	0	106.5	I1018 C1022	I1018-D1020 PolarHBondContact O-N 3.22Å; D1020-C1022 PolarHBondContact O-N 3.18Å
1021	D	35.8	Very low	34.1	Very low	142 Å²	142	134.8 Å²	134.8	76%	0.759	75%	0.745	S	S	*	*			trans	-64.1	96.6	175	-76	-34.5	0	0	0	109.3
1022	C	34.5	Very low	34.1	Very low	127 Å²	127	133.4 Å²	133.4	86%	0.858	74%	0.744	S	S	*	*			trans	175.7	97.9	148	-90.2	0	0	0	0	108.6	D1020	D1020-C1022 PolarHBondContact O-N 3.18Å
1023	V	33.7	Very low	33.9	Very low	122 Å²	122	126.9 Å²	126.9	74%	0.739	72%	0.718	S	S	*	*			trans	-94.3	113.7	169.5	-177.5	0	0	0	0	108	V1025	V1023-V1025 HydrophobicContact CB-CG2 4.47Å; V1023-V1025 HydrophobicContact CG1-CG2 3.85Å; V1023-V1025 PolarHBondContact O-N 2.94Å
1024	L	29.4	Very low	33.8	Very low	176 Å²	176	127.9 Å²	127.9	92%	0.921	72%	0.723	S	S	*	*			trans	-73.6	104.8	167.1	-96.1	148.2	0	0	0	108.1
1025	V	34.7	Very low	33.7	Very low	75 Å²	75	124.7 Å²	124.7	46%	0.455	72%	0.717	S	S	.	*			trans	-94.1	112	177.1	-174.5	0	0	0	0	108.6	V1023 A1027	V1023-V1025 HydrophobicContact CB-CG2 4.47Å; V1023-V1025 HydrophobicContact CG1-CG2 3.85Å; V1023-V1025 PolarHBondContact O-N 2.94Å; V1025-A1027 PolarHBondContact O-N 2.94Å
1026	T	30	Very low	33.7	Very low	126 Å²	126	125.4 Å²	125.4	77%	0.773	71%	0.711	S	S	*	*			trans	-73.3	116.9	171.9	44.8	0	0	0	0	109.8
1027	A	33.9	Very low	33.3	Very low	85 Å²	85	126 Å²	126	70%	0.702	71%	0.709	S	S	*	*			trans	-93.7	108.9	167.5	0	0	0	0	0	109.1	V1025 L1029	V1025-A1027 PolarHBondContact O-N 2.94Å; A1027-L1029 PolarHBondContact O-N 2.84Å
1028	E	30.7	Very low	33	Very low	158 Å²	158	124.5 Å²	124.5	74%	0.738	70%	0.7	S	S	*	*			trans	-74.8	106	166.9	-72.8	-173.3	166.8	0	0	108.4	N1030	E1028-N1030 PolarHBondContact O-N 2.7Å
1029	L	32.3	Very low	32.8	Very low	132 Å²	132	124.9 Å²	124.9	69%	0.691	70%	0.703	S	S	*	*			trans	-62.4	118.3	166.8	-84	148.4	0	0	0	107.9	A1027 Q1031	A1027-L1029 PolarHBondContact O-N 2.84Å; L1029-Q1031 PolarHBondContact O-N 2.85Å
1030	N	38.6	Very low	32.6	Very low	130 Å²	130	125.4 Å²	125.4	70%	0.695	71%	0.706	S	S	*	*	S	Bend	trans	-60.9	-3.8	-176.1	-81.1	-48.6	0	0	0	114.4	E1028	E1028-N1030 PolarHBondContact O-N 2.7Å
1031	Q	39.1	Very low	32.2	Very low	48 Å²	48	125.2 Å²	125.2	22%	0.224	71%	0.705	C	S	.	*	S	Bend	trans	-151	148.7	-177.8	-62.5	-168.7	-35.4	0	0	109.8	W882 L1029 S1033	W882-Q1031 PolarHBondContact O-NE2 2.84Å; W882-Q1031 PolarHBondContact O-OE1 3.21Å; W882-Q1031 VanDerWaalsContact O-OE1 3.07Å; L1029-Q1031 PolarHBondContact O-N 2.85Å; Q1031-S1033 VanDerWaalsContact C-N 3.32Å; Q1031-S1033 PolarHBondContact O-N 3.33Å
1032	P	30.7	Very low	31.9	Very low	124 Å²	124	124.7 Å²	124.7	81%	0.805	70%	0.701	S	S	*	*			trans	-64.3	95.4	170.8	27.2	-32	0	0	0	108.6
1033	S	31.2	Very low	31.7	Very low	43 Å²	43	123 Å²	123	30%	0.301	69%	0.689	S	S	.	*			trans	-87.2	121.5	169.8	59.1	0	0	0	0	108.4	Q1031 A1035	Q1031-S1033 VanDerWaalsContact C-N 3.32Å; Q1031-S1033 PolarHBondContact O-N 3.33Å; S1033-A1035 PolarHBondContact O-N 3.15Å
1034	N	30.1	Very low	31.8	Very low	160 Å²	160	127.1 Å²	127.1	86%	0.856	70%	0.697	S	S	*	*			trans	-71.8	17.3	165.2	-66.8	-4.1	0	0	0	112.2	I1036	N1034-I1036 VanDerWaalsContact C-N 3.34Å; N1034-I1036 PolarHBondContact O-N 3.41Å
1035	A	29.8	Very low	32	Very low	77 Å²	77	124.2 Å²	124.2	64%	0.636	69%	0.686	S	S	*	*			trans	-81.8	80.7	179.8	0	0	0	0	0	109.5	S1033 E1037	S1033-A1035 PolarHBondContact O-N 3.15Å; A1035-E1037 PolarHBondContact O-N 3.44Å
1036	I	30.3	Very low	32	Very low	141 Å²	141	127 Å²	127	72%	0.723	70%	0.698	S	S	*	*			trans	-77.2	95.3	159.6	-59.6	171.4	0	0	0	106	N1034	N1034-I1036 VanDerWaalsContact C-N 3.34Å; N1034-I1036 PolarHBondContact O-N 3.41Å
1037	E	27.6	Very low	32.2	Very low	173 Å²	173	125.8 Å²	125.8	81%	0.808	69%	0.686	S	S	*	*			trans	-156.1	94.6	160.2	-120.3	170.9	-171.4	0	0	112.2	A1035	A1035-E1037 PolarHBondContact O-N 3.44Å
1038	I	30.2	Very low	32	Very low	128 Å²	128	127.3 Å²	127.3	66%	0.656	69%	0.688	S	S	*	*			trans	51.5	99.6	137.9	-50.9	171	0	0	0	116.9	D1040	I1038-D1040 HydrophobicContact CG2-CB 3.96Å; I1038-D1040 PolarHBondContact O-N 2.96Å; I1038-D1040 VanDerWaalsContact O-N 3.11Å
1039	L	31.5	Very low	32	Very low	166 Å²	166	123.7 Å²	123.7	87%	0.869	69%	0.694	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.7	11.7	172.1	-81.6	167.5	0	0	0	115.6
1040	D	33.1	Very low	31.8	Very low	144 Å²	144	121 Å²	121	77%	0.77	68%	0.679	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.9	-12.2	-173.6	-82.5	-23	0	0	0	115.2	I1038	I1038-D1040 HydrophobicContact CG2-CB 3.96Å; I1038-D1040 PolarHBondContact O-N 2.96Å; I1038-D1040 VanDerWaalsContact O-N 3.11Å
1041	D	28.8	Very low	31.5	Very low	152 Å²	152	122.6 Å²	122.6	81%	0.813	69%	0.688	S	S	*	*			trans	-128.3	30.5	-173	-89.2	-25.8	0	0	0	115.3	P1043	D1041-P1043 VanDerWaalsContact O-CD 3.27Å; D1041-P1043 WeakPolarHBondContact O-CD 3.42Å
1042	L	29.3	Very low	31.2	Very low	131 Å²	131	129 Å²	129	69%	0.686	72%	0.715	S	S	*	*			trans	-77.8	116.9	167.3	-89.4	165.3	0	0	0	110.6
1043	P	31.7	Very low	31.2	Very low	92 Å²	92	129.2 Å²	129.2	60%	0.597	71%	0.71	S	S	*	*			trans	-61.8	151.5	172.3	-12.9	27.7	0	0	0	109.5	D1041 T1045	D1041-P1043 VanDerWaalsContact O-CD 3.27Å; D1041-P1043 WeakPolarHBondContact O-CD 3.42Å; P1043-T1045 PolarHBondContact O-N 2.88Å; P1043-T1045 PolarHBondContact O-OG1 2.88Å
1044	K	35.2	Very low	31.2	Very low	209 Å²	209	133.7 Å²	133.7	91%	0.909	73%	0.732	S	S	*	*	S	Bend	trans	-60.1	26	-179.8	-65.1	-177.5	175.8	-177	0	115.9	L1046	K1044-L1046 PolarHBondContact O-N 3.21Å
1045	T	33	Very low	31.2	Very low	114 Å²	114	132.3 Å²	132.3	70%	0.699	73%	0.725	S	S	*	*			trans	-88.5	82.7	166.5	43.4	0	0	0	0	108.5	P1043 I1047	P1043-T1045 PolarHBondContact O-N 2.88Å; P1043-T1045 PolarHBondContact O-OG1 2.88Å; T1045-I1047 PolarHBondContact O-N 2.75Å
1046	L	35.7	Very low	31.3	Very low	134 Å²	134	135.5 Å²	135.5	70%	0.702	73%	0.73	S	S	*	*			trans	-24.8	118.1	164	-66.8	150.4	0	0	0	112.3	K1044 P1048 F1052	K1044-L1046 PolarHBondContact O-N 3.21Å; L1046-P1048 WeakPolarHBondContact O-CD 3.27Å; L1046-F1052 HydrophobicContact CD2-CE2 4.09Å
1047	I	34.4	Very low	31.4	Very low	101 Å²	101	135.2 Å²	135.2	52%	0.518	73%	0.731	S	S	.	*			trans	-62.4	112.6	168.2	-60.8	173.5	0	0	0	107.3	T1045 G1049 I1050	T1045-I1047 PolarHBondContact O-N 2.75Å; I1047-G1049 PolarHBondContact O-N 3.29Å; I1047-I1050 HydrophobicContact CB-CD1 4.21Å; I1047-I1050 HydrophobicContact CD1-CD1 4.37Å; I1047-I1050 HydrophobicContact CG2-CD1 4.18Å; I1047-I1050 HydrophobicContact CG2-CG1 4.38Å
1048	P	29.3	Very low	31.6	Very low	116 Å²	116	132.7 Å²	132.7	75%	0.753	73%	0.726	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.4	123.8	-179.8	-14	30.4	0	0	0	109.9	L1046	L1046-P1048 WeakPolarHBondContact O-CD 3.27Å
1049	G	31	Very low	31.8	Very low	83 Å²	83	133 Å²	133	86%	0.856	73%	0.73	S	S	*	*	T	Hydrogen-bonded Turn	trans	119.2	-6.2	179.4	0	0	0	0	0	114.7	I1047	I1047-G1049 PolarHBondContact O-N 3.29Å
1050	I	27.8	Very low	31.8	Very low	75 Å²	75	130.5 Å²	130.5	39%	0.385	72%	0.72	S	S	.	*			trans	-93.1	109	163.2	-57.1	177.6	0	0	0	106.5	I1047 F1052	I1047-I1050 HydrophobicContact CB-CD1 4.21Å; I1047-I1050 HydrophobicContact CD1-CD1 4.37Å; I1047-I1050 HydrophobicContact CG2-CD1 4.18Å; I1047-I1050 HydrophobicContact CG2-CG1 4.38Å; I1050-F1052 HydrophobicContact CB-CE2 4.44Å; I1050-F1052 HydrophobicContact CG2-CD1 4.34Å; I1050-F1052 HydrophobicContact CG2-CD2 4.44Å; I1050-F1052 HydrophobicContact CG2-CE1 4.15Å; I1050-F1052 HydrophobicContact CG2-CE2 4.25Å; I1050-F1052 HydrophobicContact CG2-CG 4.48Å; I1050-F1052 HydrophobicContact CG2-CZ 4.11Å
1051	D	31.1	Very low	31.7	Very low	163 Å²	163	129.3 Å²	129.3	87%	0.872	72%	0.716	S	S	*	*			trans	-77.1	118.9	165.3	-146.6	2.4	0	0	0	106.3
1052	F	32.6	Very low	31.9	Very low	182 Å²	182	127.3 Å²	127.3	80%	0.798	71%	0.707	S	S	*	*			trans	-88.4	0	-177.2	-77.4	-78.7	0	0	0	111.7	L1046 I1050	L1046-F1052 HydrophobicContact CD2-CE2 4.09Å; I1050-F1052 HydrophobicContact CB-CE2 4.44Å; I1050-F1052 HydrophobicContact CG2-CD1 4.34Å; I1050-F1052 HydrophobicContact CG2-CD2 4.44Å; I1050-F1052 HydrophobicContact CG2-CE1 4.15Å; I1050-F1052 HydrophobicContact CG2-CE2 4.25Å; I1050-F1052 HydrophobicContact CG2-CG 4.48Å; I1050-F1052 HydrophobicContact CG2-CZ 4.11Å

Retrieved 1,052 of 1,052 residues in 524.8 ms (Link to these results)

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