A0A3Q0KI74_SCHMA Loading...

[histone H3]-lysine(27) N-trimethyltransferase

AlphaFold DB , UniProt , Accession A0A3Q0KI74, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,040 aa.

						>A0A3Q0KI74_SCHMA|A0A3Q0KI74
MIVCTTVDKLVFLQMVRRSSYVNRDCKNNKSSPNEIVPVCESRRTRVKSLRRRPTSSNRPYYNPCERRRRLQTMIREVYSRIRCANLTSKWNHVFELMSKNRRLLSEQLNSAYTANLSARSITCDEMWPNSSSTDPPLLAEPVEIPNVYSQFGKFEARIGGVSYRVAITMMPQVDPVPSVCMWAPVQHNFSVEDETELANLPYMGDDQAQEDVNFLEELLNNYDGHLHGNFPFEFEESLLVQLVNAVAKAWPDITTKCGLIPLTNQKDEHSPIDLSQNPIAIDNSSPKEIDSSSMIGIVDETDLVHSNCKSNERTLKRSKPDEEDSDEVLTIKKGRFTRRSGFIEIKDVEVTISSDIIPPNISINLPEFNDKALVNLHKKLKIEDDDKEVKCELIASTQQSPKIRNSVDSHHSDRDSNSPDPKRLSSTGIPEGVFSAIAGTFGSSDDSSKLQLRYMELKERSSTSQLNEEALTCCPNLDNPIEVLNAVKSGRHQIPTRAEALHSFRTLFCRRCFKYDCALHPYKSTQSMWSHRWPFVASTNVESDAPYCGVWCVRQFTDKQNHHHNNNNRINERDCDWNPVEISLYQVLAPMYIPYGYSSYHLYNWCCTLSNLIGTKKCSEVLSYASAQNHSTLLLPDSGQLSQLRVPGTGIEWGRRSTSTASLNDGGDCAGSGSCSGSVQDNGEFTEEAMNNNNESSSYNLLPSYRRKRSRKRRLKKSMLLGPPTRRLDDDEDSQTNACHQNATNGNSNGVVASGCFAHHYHPCDHPGQRCDDSCSCRIAGTFCEKFCQCPPDCPNRFLGCRCRGQCNTKLCPCVLAVRECDPDLCLSCGAHSSFRSFASGNSMDLLSLLQTTLPPVTGTCRNVAIQRGWRKHLLMAPSDVAGWGIFIKEAAEKNDFIYEYCGEIISQDEADRRGKIYDKTMSSFLFNLNRDFVVDATRKGNKIRFANHSVNPNCHAKVIMVNGDHRIGIFAKRAILPGEELFFDYRYGPTEQLKYVGIERDTDAASVINNPLCVLNTSGGDLNPLCSNIPLNNCIEIP
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	34.3	Very low	39.7	Very low	211 Å²	211	112.7 Å²	112.7	100%	1.039	62%	0.62	S	S	*	*				0	-64.4	0	-71.8	-165.1	-93.9	0	0	112.9	V3 C4	M1-V3 PolarHBondContact O-N 3.31Å; M1-C4 PolarHBondContact O-N 3.09Å; M1-C4 VanDerWaalsContact O-N 3.16Å
2	I	37.1	Very low	40.3	Very low	151 Å²	151	111.5 Å²	111.5	77%	0.774	60%	0.604	S	S	*	*	T	Hydrogen-bonded Turn	trans	-55.3	-23.6	-174.1	-62.7	172.9	0	0	0	115
3	V	36.5	Very low	41.1	Very low	116 Å²	116	107.1 Å²	107.1	70%	0.703	58%	0.579	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.8	-22.1	-177.1	-176.7	0	0	0	0	114	M1 T6	M1-V3 PolarHBondContact O-N 3.31Å; V3-T6 PolarHBondContact O-OG1 3.23Å
4	C	31.6	Very low	41.6	Very low	79 Å²	79	107.6 Å²	107.6	53%	0.534	58%	0.576	S	S	.	*	T	Hydrogen-bonded Turn	trans	-79	-46.4	-176.1	-53.6	0	0	0	0	111.9	M1 T6 V7 D8	M1-C4 PolarHBondContact O-N 3.09Å; M1-C4 VanDerWaalsContact O-N 3.16Å; C4-T6 PolarHBondContact O-N 3.21Å; C4-V7 WeakPolarHBondContact O-CB 3.29Å; C4-V7 PolarHBondContact O-N 3.44Å; C4-D8 PolarHBondContact O-N 2.7Å
5	T	39.2	Very low	41.8	Very low	92 Å²	92	109.3 Å²	109.3	56%	0.564	58%	0.581	S	S	*	*	H	α-helix	trans	-65.2	-16.5	-171.1	53.9	0	0	0	0	114.8	K9	T5-K9 WeakPolarHBondContact O-CG 3.45Å
6	T	39.4	Very low	42.4	Very low	84 Å²	84	106.6 Å²	106.6	52%	0.515	57%	0.57	S	S	.	*	H	α-helix	trans	-82.5	-26.7	171.7	38	0	0	0	0	113.4	V3 C4 L10	V3-T6 PolarHBondContact O-OG1 3.23Å; C4-T6 PolarHBondContact O-N 3.21Å; T6-L10 WeakPolarHBondContact O-CG 3.42Å; T6-L10 PolarHBondContact O-N 2.99Å
7	V	43.1	Very low	42.6	Very low	80 Å²	80	106.4 Å²	106.4	49%	0.485	56%	0.56	S	S	.	*	H	α-helix	trans	-73.5	-48.2	178	-178.9	0	0	0	0	110.1	C4 K9 L10 V11	C4-V7 WeakPolarHBondContact O-CB 3.29Å; C4-V7 PolarHBondContact O-N 3.44Å; V7-K9 PolarHBondContact O-N 2.73Å; V7-L10 WeakPolarHBondContact O-CB 3.41Å; V7-L10 PolarHBondContact O-N 3.35Å; V7-L10 VanDerWaalsContact O-N 3.1Å; V7-V11 HydrophobicContact CG1-CG2 4.49Å; V7-V11 WeakPolarHBondContact O-CG2 3.48Å; V7-V11 PolarHBondContact O-N 2.67Å
8	D	39	Very low	42.5	Very low	103 Å²	103	107.9 Å²	107.9	55%	0.551	56%	0.557	S	S	*	*	H	α-helix	trans	-63.4	-42.8	-177.2	-54.2	-44.4	0	0	0	111.7	C4 L10 V11 F12	C4-D8 PolarHBondContact O-N 2.7Å; D8-L10 VanDerWaalsContact C-N 3.29Å; D8-L10 PolarHBondContact O-N 3.07Å; D8-V11 PolarHBondContact O-N 3.46Å; D8-F12 PolarHBondContact O-N 2.94Å
9	K	43.6	Very low	42.4	Very low	123 Å²	123	106.6 Å²	106.6	54%	0.535	56%	0.558	S	S	.	*	H	α-helix	trans	-57.7	-39.7	173.6	-79	-168.6	171.2	-164.5	0	112.3	T5 V7 L13 N200	T5-K9 WeakPolarHBondContact O-CG 3.45Å; V7-K9 PolarHBondContact O-N 2.73Å; K9-L13 WeakPolarHBondContact O-CB 3.3Å; K9-L13 WeakPolarHBondContact O-CD1 3.39Å; K9-L13 WeakPolarHBondContact O-CG 3.43Å; K9-L13 PolarHBondContact O-N 3.22Å; K9-L13 VanDerWaalsContact O-N 3.14Å; K9-N200 PolarHBondContact NZ-OD1 2.71Å
10	L	43.9	Very low	42.2	Very low	123 Å²	123	104.3 Å²	104.3	64%	0.644	55%	0.551	S	S	*	*	H	α-helix	trans	-68.8	-43.5	177.3	-82.7	167.3	0	0	0	112.4	T6 V7 D8 Q14	T6-L10 WeakPolarHBondContact O-CG 3.42Å; T6-L10 PolarHBondContact O-N 2.99Å; V7-L10 WeakPolarHBondContact O-CB 3.41Å; V7-L10 PolarHBondContact O-N 3.35Å; V7-L10 VanDerWaalsContact O-N 3.1Å; D8-L10 VanDerWaalsContact C-N 3.29Å; D8-L10 PolarHBondContact O-N 3.07Å; L10-Q14 VanDerWaalsContact O-CB 3.3Å; L10-Q14 WeakPolarHBondContact O-CB 3.35Å; L10-Q14 PolarHBondContact O-N 2.96Å
11	V	48.9	Very low	42	Very low	78 Å²	78	107.1 Å²	107.1	47%	0.473	56%	0.555	S	S	.	*	H	α-helix	trans	-63.1	-46.8	179.4	174.4	0	0	0	0	111	V7 D8 Q14 M15	V7-V11 HydrophobicContact CG1-CG2 4.49Å; V7-V11 WeakPolarHBondContact O-CG2 3.48Å; V7-V11 PolarHBondContact O-N 2.67Å; D8-V11 PolarHBondContact O-N 3.46Å; V11-Q14 PolarHBondContact O-N 2.97Å; V11-M15 PolarHBondContact O-N 2.84Å
12	F	46.8	Very low	42.2	Very low	98 Å²	98	102.6 Å²	102.6	43%	0.43	54%	0.539	S	S	.	.	H	α-helix	trans	-65.1	-46.2	179.9	-165.8	-94.5	0	0	0	112.1	D8 Q14 M15 V16	D8-F12 PolarHBondContact O-N 2.94Å; F12-Q14 PolarHBondContact O-N 2.95Å; F12-M15 WeakPolarHBondContact O-CB 3.36Å; F12-M15 PolarHBondContact O-N 3.05Å; F12-V16 HydrophobicContact CD1-CG2 3.94Å; F12-V16 HydrophobicContact CE1-CG2 3.69Å; F12-V16 HydrophobicContact CZ-CG2 4.34Å; F12-V16 WeakPolarHBondContact O-CG2 3.45Å; F12-V16 PolarHBondContact O-N 3.45Å
13	L	51.3	Low	42.1	Very low	54 Å²	54	102.2 Å²	102.2	28%	0.283	54%	0.539	S	S	.	.	H	α-helix	trans	-60	-32.5	174.6	-80.8	167	0	0	0	112.6	K9 R17 L227	K9-L13 WeakPolarHBondContact O-CB 3.3Å; K9-L13 WeakPolarHBondContact O-CD1 3.39Å; K9-L13 WeakPolarHBondContact O-CG 3.43Å; K9-L13 PolarHBondContact O-N 3.22Å; K9-L13 VanDerWaalsContact O-N 3.14Å; L13-R17 VanDerWaalsContact O-CB 3.31Å; L13-R17 WeakPolarHBondContact O-CB 3.28Å; L13-R17 WeakPolarHBondContact O-CG 3.33Å; L13-R17 PolarHBondContact O-N 3.03Å; L13-L227 HydrophobicContact CD2-CD2 4.45Å
14	Q	47.1	Very low	41.9	Very low	114 Å²	114	107.4 Å²	107.4	53%	0.533	55%	0.546	S	S	.	.	H	α-helix	trans	-76.5	-24.3	177.3	-156.1	169.6	55.6	0	0	112.9	L10 V11 F12 R18	L10-Q14 VanDerWaalsContact O-CB 3.3Å; L10-Q14 WeakPolarHBondContact O-CB 3.35Å; L10-Q14 PolarHBondContact O-N 2.96Å; V11-Q14 PolarHBondContact O-N 2.97Å; F12-Q14 PolarHBondContact O-N 2.95Å; Q14-R18 WeakPolarHBondContact O-CB 3.34Å; Q14-R18 WeakPolarHBondContact O-CD 3.48Å; Q14-R18 WeakPolarHBondContact O-CG 3.19Å; Q14-R18 PolarHBondContact O-N 3.49Å
15	M	44.9	Very low	41.9	Very low	133 Å²	133	110.3 Å²	110.3	66%	0.655	56%	0.556	S	S	*	*	H	α-helix	trans	-71.6	-52.4	165.8	-75.7	-173.9	161.4	0	0	111.6	V11 F12 R17 R18 S19	V11-M15 PolarHBondContact O-N 2.84Å; F12-M15 WeakPolarHBondContact O-CB 3.36Å; F12-M15 PolarHBondContact O-N 3.05Å; M15-R17 PolarHBondContact O-N 2.74Å; M15-R18 PolarHBondContact O-N 2.89Å; M15-S19 PolarHBondContact O-N 3.42Å
16	V	51.3	Low	41.4	Very low	67 Å²	67	111.6 Å²	111.6	41%	0.406	57%	0.568	S	S	.	*	H	α-helix	trans	-58	-47.8	-179	175.9	0	0	0	0	111.2	F12 R18 S19 S20	F12-V16 HydrophobicContact CD1-CG2 3.94Å; F12-V16 HydrophobicContact CE1-CG2 3.69Å; F12-V16 HydrophobicContact CZ-CG2 4.34Å; F12-V16 WeakPolarHBondContact O-CG2 3.45Å; F12-V16 PolarHBondContact O-N 3.45Å; V16-R18 VanDerWaalsContact C-N 3.33Å; V16-R18 PolarHBondContact O-N 2.9Å; V16-S19 PolarHBondContact O-N 2.97Å; V16-S20 PolarHBondContact O-N 3.49Å; V16-S20 VanDerWaalsContact O-N 3.12Å; V16-S20 PolarHBondContact O-OG 2.89Å
17	R	46.4	Very low	40.9	Very low	103 Å²	103	117.8 Å²	117.8	39%	0.389	59%	0.587	S	S	.	*	H	α-helix	trans	-65	-30.7	175.9	-77	176.9	160.1	164.9	-8.9	113.5	L13 M15 S20 Y21 N230	L13-R17 VanDerWaalsContact O-CB 3.31Å; L13-R17 WeakPolarHBondContact O-CB 3.28Å; L13-R17 WeakPolarHBondContact O-CG 3.33Å; L13-R17 PolarHBondContact O-N 3.03Å; M15-R17 PolarHBondContact O-N 2.74Å; R17-S20 PolarHBondContact O-OG 2.92Å; R17-Y21 WeakPolarHBondContact O-CB 3.46Å; R17-Y21 WeakPolarHBondContact O-CD2 3.3Å; R17-Y21 PolarHBondContact O-N 2.78Å; R17-N230 PolarHBondContact NH2-OD1 3.06Å
18	R	41.1	Very low	40.3	Very low	134 Å²	134	121.7 Å²	121.7	51%	0.506	61%	0.605	S	S	.	*	H	α-helix	trans	-70.9	-33.3	173.5	-82.3	178	178.8	-170.5	3.6	112.1	Q14 M15 V16 V22 S341	Q14-R18 WeakPolarHBondContact O-CB 3.34Å; Q14-R18 WeakPolarHBondContact O-CD 3.48Å; Q14-R18 WeakPolarHBondContact O-CG 3.19Å; Q14-R18 PolarHBondContact O-N 3.49Å; M15-R18 PolarHBondContact O-N 2.89Å; V16-R18 VanDerWaalsContact C-N 3.33Å; V16-R18 PolarHBondContact O-N 2.9Å; R18-V22 WeakPolarHBondContact O-CB 3.38Å; R18-V22 WeakPolarHBondContact O-CG2 3.28Å; R18-V22 PolarHBondContact O-N 3.18Å; R18-S341 PolarHBondContact NH2-OG 3.3Å; R18-S341 VanDerWaalsContact NH2-OG 3.14Å
19	S	40.7	Very low	40.1	Very low	83 Å²	83	123.4 Å²	123.4	58%	0.58	61%	0.614	S	S	*	*	H	α-helix	trans	-68.7	-48.3	176	-158.3	0	0	0	0	111.8	M15 V16	M15-S19 PolarHBondContact O-N 3.42Å; V16-S19 PolarHBondContact O-N 2.97Å
20	S	38.8	Very low	39.5	Very low	60 Å²	60	126.4 Å²	126.4	42%	0.42	63%	0.627	S	S	.	*	H	α-helix	trans	-70.9	-34.8	-175.9	59.4	0	0	0	0	114.4	V16 R17	V16-S20 PolarHBondContact O-N 3.49Å; V16-S20 VanDerWaalsContact O-N 3.12Å; V16-S20 PolarHBondContact O-OG 2.89Å; R17-S20 PolarHBondContact O-OG 2.92Å
21	Y	36.6	Very low	39.1	Very low	164 Å²	164	125.3 Å²	125.3	64%	0.643	63%	0.63	S	S	*	*	H	α-helix	trans	-77.6	-27	178.2	-89.2	-94.1	0	0	0	114.3	R17 N23	R17-Y21 WeakPolarHBondContact O-CB 3.46Å; R17-Y21 WeakPolarHBondContact O-CD2 3.3Å; R17-Y21 PolarHBondContact O-N 2.78Å; Y21-N23 VanDerWaalsContact C-N 3.28Å; Y21-N23 PolarHBondContact O-N 3.1Å
22	V	38.3	Very low	38.2	Very low	116 Å²	116	127.1 Å²	127.1	70%	0.703	65%	0.646	S	S	*	*	H	α-helix	trans	-75.1	-16.8	-177.6	168.7	0	0	0	0	112.8	R18	R18-V22 WeakPolarHBondContact O-CB 3.38Å; R18-V22 WeakPolarHBondContact O-CG2 3.28Å; R18-V22 PolarHBondContact O-N 3.18Å
23	N	34.8	Very low	37.6	Very low	143 Å²	143	127.5 Å²	127.5	77%	0.765	66%	0.659	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101	0.8	-177.2	-95.9	-26.3	0	0	0	115.8	Y21	Y21-N23 VanDerWaalsContact C-N 3.28Å; Y21-N23 PolarHBondContact O-N 3.1Å
24	R	33.7	Very low	36.8	Very low	224 Å²	224	132 Å²	132	85%	0.845	68%	0.683	S	S	*	*	S	Bend	trans	-104.7	-9.6	-177.2	-71.6	-168.7	177	-169.8	1.1	116.1
25	D	31.5	Very low	36	Very low	141 Å²	141	136.1 Å²	136.1	75%	0.754	70%	0.702	S	S	*	*	S	Bend	trans	-106.9	137.6	172.7	-96.3	-47.4	0	0	0	112.1
26	C	27.4	Very low	35.3	Very low	119 Å²	119	137.4 Å²	137.4	80%	0.804	71%	0.71	S	S	*	*	S	Bend	trans	66.5	80.1	172.8	-60.1	0	0	0	0	118.5
27	K	28.9	Very low	34.3	Very low	214 Å²	214	140.7 Å²	140.7	93%	0.93	73%	0.73	S	S	*	*			trans	-160.6	50.7	144.6	-115.3	159.8	-167.2	174.6	0	116.9	N29	K27-N29 PolarHBondContact O-N 3.31Å
28	N	31.3	Very low	33.5	Very low	162 Å²	162	140.9 Å²	140.9	87%	0.866	74%	0.744	S	S	*	*			trans	-97.5	72.5	171.4	-132	-10	0	0	0	111.6
29	N	34.3	Very low	32.9	Very low	138 Å²	138	140.7 Å²	140.7	74%	0.738	76%	0.758	S	S	*	*	S	Bend	trans	175.3	111.7	149.8	-99.2	-57.3	0	0	0	114	K27	K27-N29 PolarHBondContact O-N 3.31Å
30	K	32.2	Very low	32.3	Very low	186 Å²	186	141.5 Å²	141.5	81%	0.809	76%	0.763	S	S	*	*			trans	56.7	133.8	140.1	-60.6	-176.6	179.4	-178	0	123.3
31	S	34.3	Very low	31.8	Very low	101 Å²	101	147.1 Å²	147.1	71%	0.706	78%	0.782	S	S	*	*			trans	69.2	98.9	140.8	58.3	0	0	0	0	122.1
32	S	31.1	Very low	31.4	Very low	115 Å²	115	144.1 Å²	144.1	80%	0.804	79%	0.785	S	S	*	*				64.8	155.2	128.6	50.3	0	0	0	0	121.5
33	P	34.2	Very low	31	Very low	107 Å²	107	149.7 Å²	149.7	70%	0.695	79%	0.794	S	S	*	*			trans	-112.9	-177.1	-151.3	43.5	-35.8	0	0	0	115.9
34	N	33.1	Very low	31	Very low	149 Å²	149	155 Å²	155	80%	0.797	80%	0.803	S	S	*	*			trans	71.9	100.2	166.4	-58	-11.2	0	0	0	117.3
35	E	31.3	Very low	31	Very low	199 Å²	199	150.6 Å²	150.6	93%	0.93	80%	0.801	S	S	*	*				-165.8	166.3	106.5	-108.4	-177.9	168.4	0	0	112.1
36	I	29.5	Very low	31	Very low	160 Å²	160	155.6 Å²	155.6	82%	0.821	81%	0.809	S	S	*	*			trans	-116.5	127.3	-176.5	-61.5	167.2	0	0	0	109.2
37	V	30.5	Very low	31.3	Very low	137 Å²	137	156.5 Å²	156.5	83%	0.83	81%	0.811	S	S	*	*			trans	-168.4	147.4	143.7	135.7	0	0	0	0	109.5
38	P	30.5	Very low	31.4	Very low	106 Å²	106	155.9 Å²	155.9	69%	0.688	81%	0.808	S	S	*	*			trans	-120.3	-173.4	-170.6	30.7	-9.7	0	0	0	115.2
39	V	27.8	Very low	31.6	Very low	130 Å²	130	153.7 Å²	153.7	79%	0.788	81%	0.806	S	S	*	*			trans	105.4	126.4	154.9	-175.3	0	0	0	0	119.2
40	C	28.5	Very low	31.5	Very low	101 Å²	101	154.7 Å²	154.7	68%	0.682	81%	0.81	S	S	*	*			trans	44.3	121.8	158.9	-70.2	0	0	0	0	124.4
41	E	27.4	Very low	31.6	Very low	178 Å²	178	156.7 Å²	156.7	83%	0.832	81%	0.813	S	S	*	*				23.1	131	117.2	-51.7	-177	111.3	0	0	118.3
42	S	29.7	Very low	31.6	Very low	101 Å²	101	162.6 Å²	162.6	71%	0.706	82%	0.82	S	S	*	*				-176.7	163.4	54.7	56.3	0	0	0	0	114.3
43	R	29	Very low	31.7	Very low	233 Å²	233	168.6 Å²	168.6	88%	0.879	83%	0.825	S	S	*	*			trans	41.4	120.2	152.2	-65.7	174.4	179.4	-171.5	1.1	120
44	R	34.5	Very low	31.8	Very low	253 Å²	253	169.1 Å²	169.1	96%	0.955	83%	0.828	S	S	*	*			trans	-147	164.4	134	-112.5	163.6	-162.4	-163.1	3.2	112.5
45	T	34.8	Very low	31.9	Very low	132 Å²	132	169 Å²	169	81%	0.81	83%	0.833	S	S	*	*			trans	-110.7	158.4	-148.4	35.1	0	0	0	0	115.7
46	R	29.9	Very low	32.1	Very low	246 Å²	246	165.3 Å²	165.3	93%	0.928	83%	0.829	S	S	*	*			trans	-53.4	135.9	171.9	-98.2	176	166.1	161.9	-4.9	112.5
47	V	34.7	Very low	32.2	Very low	138 Å²	138	162.6 Å²	162.6	84%	0.836	83%	0.825	S	S	*	*			trans	-106.3	138.8	155	178.3	0	0	0	0	108.6
48	K	30.5	Very low	32.5	Very low	201 Å²	201	163.9 Å²	163.9	87%	0.874	83%	0.827	S	S	*	*			trans	-100.1	135.9	170.4	-68.6	177.3	178.5	175.6	0	109.1
49	S	35.7	Very low	32.8	Very low	116 Å²	116	168.6 Å²	168.6	81%	0.811	83%	0.831	S	S	*	*			trans	-144	148.6	153.6	69.4	0	0	0	0	110.8
50	L	32.5	Very low	33.6	Very low	160 Å²	160	167.8 Å²	167.8	84%	0.838	83%	0.828	S	S	*	*			trans	-83.7	153.1	-172	-53.6	95.7	0	0	0	111.8
51	R	34.6	Very low	34.4	Very low	227 Å²	227	173.5 Å²	173.5	86%	0.857	84%	0.837	S	S	*	*			trans	-167.6	137.7	133.9	-106.1	153.3	-172.1	-162.4	1.5	114.4
52	R	34.5	Very low	35.8	Very low	226 Å²	226	170.1 Å²	170.1	85%	0.853	82%	0.817	S	S	*	*			trans	67.6	111.2	152.6	-62.5	174.4	178.8	178.4	-2.6	119.9
53	R	32	Very low	37.7	Very low	240 Å²	240	169.4 Å²	169.4	91%	0.906	81%	0.805	S	S	*	*			trans	-89.5	-177.9	141.6	-66.2	179.9	163.4	-173.2	-3.8	108.6
54	P	37.9	Very low	39.7	Very low	118 Å²	118	162.9 Å²	162.9	77%	0.766	79%	0.793	S	S	*	*				-133.2	166.6	-66.3	39.8	-24.8	0	0	0	112.7
55	T	35.1	Very low	41.7	Very low	146 Å²	146	155 Å²	155	90%	0.896	78%	0.776	S	S	*	*			trans	-140.5	151.7	157.7	46.1	0	0	0	0	110.3
56	S	34.4	Very low	43.7	Very low	122 Å²	122	152.6 Å²	152.6	85%	0.853	76%	0.756	S	S	*	*			trans	-104.5	96.8	-158.9	53.7	0	0	0	0	114.9
57	S	31.5	Very low	46	Very low	104 Å²	104	144.9 Å²	144.9	73%	0.727	73%	0.726	S	S	*	*			trans	-173	135.5	153.5	55.5	0	0	0	0	110.4
58	N	36	Very low	48.1	Very low	164 Å²	164	146.6 Å²	146.6	88%	0.877	72%	0.718	S	S	*	*			trans	176.2	151.2	139.2	-97	-41.1	0	0	0	112.9
59	R	37.3	Very low	50.5	Low	205 Å²	205	145.8 Å²	145.8	77%	0.774	71%	0.709	S	S	*	*			trans	-71.3	151.4	171.1	-72.4	172.3	164.7	-179	-9.1	110.9	Y61	R59-Y61 PolarHBondContact O-N 2.86Å; R59-Y61 VanDerWaalsContact O-N 3.09Å
60	P	44.4	Very low	52.8	Low	112 Å²	112	144.5 Å²	144.5	73%	0.727	69%	0.687	S	S	*	*			trans	-68.8	104.8	170.7	28.6	-33.4	0	0	0	110.6	Y62	P60-Y62 PolarHBondContact O-N 3.3Å
61	Y	46.5	Very low	55.3	Low	222 Å²	222	138.1 Å²	138.1	87%	0.871	65%	0.654	S	S	*	*			trans	-81.4	95.2	179.8	-158	-85.5	0	0	0	110.1	R59 N63	R59-Y61 PolarHBondContact O-N 2.86Å; R59-Y61 VanDerWaalsContact O-N 3.09Å; Y61-N63 PolarHBondContact O-N 3.39Å
62	Y	55.9	Low	57.8	Low	106 Å²	106	130.2 Å²	130.2	42%	0.416	63%	0.626	S	S	.	*			trans	-66.6	128.4	-177.9	-92.6	-63.3	0	0	0	112.5	P60 R70	P60-Y62 PolarHBondContact O-N 3.3Å; Y62-R70 PolarHBondContact OH-NH1 2.69Å
63	N	69.3	Low	60.3	Low	86 Å²	86	123.1 Å²	123.1	46%	0.46	61%	0.608	S	S	.	*			trans	-67.5	127.3	177.5	-177.2	-35.6	0	0	0	110.6	Y61 C65 E66 R67	Y61-N63 PolarHBondContact O-N 3.39Å; N63-C65 VanDerWaalsContact C-N 3.27Å; N63-C65 PolarHBondContact O-N 3.46Å; N63-C65 WeakPolarHBondContact OD1-CB 3.48Å; N63-C65 PolarHBondContact OD1-N 3.49Å; N63-E66 HydrophobicContact CB-CB 4.13Å; N63-E66 WeakPolarHBondContact O-CA 3.44Å; N63-E66 WeakPolarHBondContact O-CB 3.49Å; N63-E66 PolarHBondContact O-N 3.37Å; N63-R67 PolarHBondContact O-N 2.93Å
64	P	72.3	Confident	63	Low	97 Å²	97	113.5 Å²	113.5	63%	0.63	57%	0.574	S	S	*	*	H	α-helix	trans	-55	-36.7	179.5	-28.4	36	0	0	0	114.6	E66 R67 R68	P64-E66 VanDerWaalsContact C-N 3.3Å; P64-E66 PolarHBondContact O-N 3.41Å; P64-R67 PolarHBondContact O-N 3.4Å; P64-R68 PolarHBondContact O-N 3.16Å
65	C	75.2	Confident	65.4	Low	87 Å²	87	107.9 Å²	107.9	59%	0.588	54%	0.537	S	S	*	.	H	α-helix	trans	-66.7	-34	176.6	-59.2	0	0	0	0	111.9	N63 R69	N63-C65 VanDerWaalsContact C-N 3.27Å; N63-C65 PolarHBondContact O-N 3.46Å; N63-C65 WeakPolarHBondContact OD1-CB 3.48Å; N63-C65 PolarHBondContact OD1-N 3.49Å; C65-R69 WeakPolarHBondContact O-CG 3.38Å; C65-R69 PolarHBondContact O-N 2.94Å
66	E	77.2	Confident	68	Low	82 Å²	82	105.8 Å²	105.8	38%	0.383	51%	0.513	S	S	.	.	H	α-helix	trans	-74	-40.3	175.8	-160.1	-168.1	159.3	0	0	111.3	N63 P64 R68 R69 R70	N63-E66 HydrophobicContact CB-CB 4.13Å; N63-E66 WeakPolarHBondContact O-CA 3.44Å; N63-E66 WeakPolarHBondContact O-CB 3.49Å; N63-E66 PolarHBondContact O-N 3.37Å; P64-E66 VanDerWaalsContact C-N 3.3Å; P64-E66 PolarHBondContact O-N 3.41Å; E66-R68 PolarHBondContact O-N 3.09Å; E66-R69 PolarHBondContact O-N 3.43Å; E66-R70 WeakPolarHBondContact O-CG 3.15Å; E66-R70 PolarHBondContact O-N 3.06Å; E66-R70 IonicContact OE1-CZ 2.65Å; E66-R70 VanDerWaalsContact OE1-CZ 3.26Å; E66-R70 IonicContact OE1-NE 3.66Å; E66-R70 PolarHBondContact OE1-NE 3.3Å; E66-R70 VanDerWaalsContact OE1-NE 3.1Å; E66-R70 IonicContact OE1-NH2 2.67Å; E66-R70 PolarHBondContact OE1-NH2 3.45Å
67	R	77.4	Confident	70.6	Confident	83 Å²	83	104.1 Å²	104.1	31%	0.313	49%	0.492	S	S	.	.	H	α-helix	trans	-57.1	-48.2	171.2	-179.6	-178.4	-72.5	-169.5	179.2	111.2	N63 P64 R69 R70 L71 C258 G259	N63-R67 PolarHBondContact O-N 2.93Å; P64-R67 PolarHBondContact O-N 3.4Å; R67-R69 PolarHBondContact O-N 3.44Å; R67-R70 PolarHBondContact O-N 3.47Å; R67-L71 WeakPolarHBondContact O-CB 3.35Å; R67-L71 PolarHBondContact O-N 3.06Å; R67-C258 HydrophobicContact CG-CB 4.1Å; R67-C258 PolarHBondContact NE-O 3.33Å; R67-G259 VanDerWaalsContact CZ-O 3.29Å; R67-G259 PolarHBondContact NH1-O 3.4Å
68	R	79.9	Confident	73.4	Confident	175 Å²	175	100.1 Å²	100.1	66%	0.66	46%	0.463	S	S	*	.	H	α-helix	trans	-60	-45	177.3	-174.7	179.9	-76	-175.7	-4.5	111.3	P64 E66 L71 Q72	P64-R68 PolarHBondContact O-N 3.16Å; E66-R68 PolarHBondContact O-N 3.09Å; R68-L71 PolarHBondContact O-N 3.2Å; R68-Q72 HydrophobicContact CG-CG 4.47Å; R68-Q72 WeakPolarHBondContact O-CB 3.49Å; R68-Q72 VanDerWaalsContact O-CG 3.28Å; R68-Q72 WeakPolarHBondContact O-CG 3.35Å; R68-Q72 PolarHBondContact O-N 2.85Å
69	R	81.6	Confident	76	Confident	183 Å²	183	93.2 Å²	93.2	69%	0.691	43%	0.425	S	S	*	.	H	α-helix	trans	-61	-45.9	175.9	-77.2	178.3	178.1	178.8	0.5	112.7	C65 E66 R67 L71 Q72 T73	C65-R69 WeakPolarHBondContact O-CG 3.38Å; C65-R69 PolarHBondContact O-N 2.94Å; E66-R69 PolarHBondContact O-N 3.43Å; R67-R69 PolarHBondContact O-N 3.44Å; R69-L71 VanDerWaalsContact C-N 3.34Å; R69-L71 PolarHBondContact O-N 3.49Å; R69-Q72 PolarHBondContact O-N 2.93Å; R69-T73 PolarHBondContact O-N 3.37Å; R69-T73 PolarHBondContact O-OG1 3.01Å; R69-T73 VanDerWaalsContact O-OG1 3.09Å
70	R	83.8	Confident	78.5	Confident	89 Å²	89	86.5 Å²	86.5	34%	0.336	41%	0.409	S	S	.	.	H	α-helix	trans	-60.7	-41.7	177.6	-70.9	173.6	-179	-148.5	1.4	112.2	Y62 E66 R67 T73 M74	Y62-R70 PolarHBondContact OH-NH1 2.69Å; E66-R70 WeakPolarHBondContact O-CG 3.15Å; E66-R70 PolarHBondContact O-N 3.06Å; E66-R70 IonicContact OE1-CZ 2.65Å; E66-R70 VanDerWaalsContact OE1-CZ 3.26Å; E66-R70 IonicContact OE1-NE 3.66Å; E66-R70 PolarHBondContact OE1-NE 3.3Å; E66-R70 VanDerWaalsContact OE1-NE 3.1Å; E66-R70 IonicContact OE1-NH2 2.67Å; E66-R70 PolarHBondContact OE1-NH2 3.45Å; R67-R70 PolarHBondContact O-N 3.47Å; R70-T73 PolarHBondContact O-N 3.06Å; R70-M74 WeakPolarHBondContact O-CG 3.19Å; R70-M74 PolarHBondContact O-N 2.92Å
71	L	85.4	Confident	80.8	Confident	27 Å²	27	88.8 Å²	88.8	14%	0.141	40%	0.404	C	S	.	.	H	α-helix	trans	-61.2	-46.9	173.4	-179.6	61.2	0	0	0	111.5	R67 R68 R69 M74 I75 W251 I254 A437	R67-L71 WeakPolarHBondContact O-CB 3.35Å; R67-L71 PolarHBondContact O-N 3.06Å; R68-L71 PolarHBondContact O-N 3.2Å; R69-L71 VanDerWaalsContact C-N 3.34Å; R69-L71 PolarHBondContact O-N 3.49Å; L71-M74 PolarHBondContact O-N 3.02Å; L71-I75 HydrophobicContact CD1-CD1 3.75Å; L71-I75 HydrophobicContact CD1-CG1 4.44Å; L71-I75 HydrophobicContact CG-CD1 4.11Å; L71-I75 PolarHBondContact O-N 3.46Å; L71-I75 VanDerWaalsContact O-N 3.09Å; L71-W251 HydrophobicContact CD1-CZ3 4.41Å; L71-I254 HydrophobicContact CD1-CG2 3.36Å; L71-A437 HydrophobicContact CD1-CB 4.35Å; L71-A437 HydrophobicContact CD2-CB 4.01Å; L71-A437 HydrophobicContact CG-CB 4.38Å
72	Q	85.9	Confident	82.9	Confident	60 Å²	60	79.4 Å²	79.4	28%	0.28	37%	0.368	S	S	.	.	H	α-helix	trans	-61	-43.2	177	-73.6	173.7	-31.8	0	0	112.8	R68 R69 R76 G440 T441	R68-Q72 HydrophobicContact CG-CG 4.47Å; R68-Q72 WeakPolarHBondContact O-CB 3.49Å; R68-Q72 VanDerWaalsContact O-CG 3.28Å; R68-Q72 WeakPolarHBondContact O-CG 3.35Å; R68-Q72 PolarHBondContact O-N 2.85Å; R69-Q72 PolarHBondContact O-N 2.93Å; Q72-R76 WeakPolarHBondContact O-CB 2.98Å; Q72-R76 WeakPolarHBondContact O-CG 3.31Å; Q72-R76 PolarHBondContact O-N 2.96Å; Q72-G440 PolarHBondContact NE2-O 3.25Å; Q72-T441 HydrophobicContact CB-CG2 4.34Å; Q72-T441 HydrophobicContact CG-CG2 3.86Å
73	T	87.6	Confident	84.5	Confident	78 Å²	78	79.5 Å²	79.5	48%	0.479	37%	0.368	S	S	.	.	H	α-helix	trans	-62.8	-49.8	175.8	-57.7	0	0	0	0	111.6	R69 R70 I75 R76 E77	R69-T73 PolarHBondContact O-N 3.37Å; R69-T73 PolarHBondContact O-OG1 3.01Å; R69-T73 VanDerWaalsContact O-OG1 3.09Å; R70-T73 PolarHBondContact O-N 3.06Å; T73-I75 PolarHBondContact O-N 3.15Å; T73-R76 PolarHBondContact O-N 3.13Å; T73-E77 PolarHBondContact O-N 2.68Å
74	M	87.7	Confident	85.5	Confident	37 Å²	37	78.8 Å²	78.8	18%	0.182	37%	0.369	C	S	.	.	H	α-helix	trans	-63.5	-38.1	-178.2	-72	-169.9	-63.7	0	0	113	R70 L71 E77 V78 I254 K257 C258	R70-M74 WeakPolarHBondContact O-CG 3.19Å; R70-M74 PolarHBondContact O-N 2.92Å; L71-M74 PolarHBondContact O-N 3.02Å; M74-E77 WeakPolarHBondContact O-CB 3.22Å; M74-E77 PolarHBondContact O-N 3.24Å; M74-V78 WeakPolarHBondContact O-CG2 3.19Å; M74-V78 PolarHBondContact O-N 3.46Å; M74-I254 HydrophobicContact CE-CB 4.31Å; M74-I254 HydrophobicContact CE-CG1 4.31Å; M74-I254 HydrophobicContact CE-CG2 4.12Å; M74-K257 HydrophobicContact CE-CB 4.05Å; M74-K257 HydrophobicContact SD-CB 3.99Å; M74-K257 HydrophobicContact SD-CD 4.07Å; M74-C258 WeakPolarHBondContact CE-SG 3.22Å
75	I	89.1	Confident	86.3	Confident	0 Å²	0	77.1 Å²	77.1	0%	0	36%	0.363	C	S	.	.	H	α-helix	trans	-71	-38.9	176.9	-69.9	171.1	0	0	0	111.2	L71 T73 E77 V78 Y79 V247 I254 A437 I438 T441 F442	L71-I75 HydrophobicContact CD1-CD1 3.75Å; L71-I75 HydrophobicContact CD1-CG1 4.44Å; L71-I75 HydrophobicContact CG-CD1 4.11Å; L71-I75 PolarHBondContact O-N 3.46Å; L71-I75 VanDerWaalsContact O-N 3.09Å; T73-I75 PolarHBondContact O-N 3.15Å; I75-E77 VanDerWaalsContact C-N 3.33Å; I75-E77 PolarHBondContact O-N 3.4Å; I75-V78 PolarHBondContact O-N 2.97Å; I75-Y79 PolarHBondContact O-N 2.92Å; I75-V247 HydrophobicContact CD1-CG1 4.18Å; I75-V247 HydrophobicContact CG1-CG1 4.13Å; I75-V247 HydrophobicContact CG1-CG2 4.24Å; I75-V247 HydrophobicContact CG2-CG2 4.23Å; I75-I254 HydrophobicContact CG1-CD1 4.43Å; I75-A437 HydrophobicContact CD1-CB 3.69Å; I75-I438 HydrophobicContact CG2-CG1 4.26Å; I75-T441 HydrophobicContact CB-CG2 3.85Å; I75-T441 HydrophobicContact CD1-CG2 3.7Å; I75-T441 HydrophobicContact CG1-CG2 4.34Å; I75-T441 HydrophobicContact CG2-CG2 3.87Å; I75-T441 WeakPolarHBondContact CG2-OG1 3.43Å; I75-F442 HydrophobicContact CG2-CE2 3.87Å
76	R	89.3	Confident	86.8	Confident	103 Å²	103	74.3 Å²	74.3	39%	0.389	34%	0.342	S	S	.	.	H	α-helix	trans	-66.6	-31.9	173.1	-72.9	-173.5	179.3	-121.7	6.5	112.7	Q72 T73 S80 E234 T441 F442	Q72-R76 WeakPolarHBondContact O-CB 2.98Å; Q72-R76 WeakPolarHBondContact O-CG 3.31Å; Q72-R76 PolarHBondContact O-N 2.96Å; T73-R76 PolarHBondContact O-N 3.13Å; R76-S80 WeakPolarHBondContact O-CB 3.3Å; R76-S80 PolarHBondContact O-N 3.13Å; R76-E234 IonicContact CZ-OE2 3.26Å; R76-E234 IonicContact NH1-OE2 2.69Å; R76-E234 PolarHBondContact NH1-OE2 3.3Å; R76-E234 IonicContact NH2-OE2 3.1Å; R76-E234 PolarHBondContact NH2-OE2 3.27Å; R76-T441 VanDerWaalsContact CZ-O 3.3Å; R76-T441 PolarHBondContact NE-O 3.47Å; R76-T441 VanDerWaalsContact NE-O 3.14Å; R76-T441 PolarHBondContact NH2-O 3.05Å; R76-F442 HydrophobicContact CG-CD1 4.5Å; R76-F442 HydrophobicContact CG-CE1 3.7Å; R76-F442 HydrophobicContact CG-CZ 3.8Å
77	E	89.9	Confident	87.3	Confident	87 Å²	87	75.1 Å²	75.1	41%	0.407	35%	0.349	S	S	.	.	H	α-helix	trans	-64.8	-46.7	169	-78.7	-176.8	-132.6	0	0	112.5	T73 M74 I75 Y79 S80 R81	T73-E77 PolarHBondContact O-N 2.68Å; M74-E77 WeakPolarHBondContact O-CB 3.22Å; M74-E77 PolarHBondContact O-N 3.24Å; I75-E77 VanDerWaalsContact C-N 3.33Å; I75-E77 PolarHBondContact O-N 3.4Å; E77-Y79 VanDerWaalsContact C-N 3.34Å; E77-Y79 PolarHBondContact O-N 3.32Å; E77-S80 PolarHBondContact O-N 2.91Å; E77-R81 VanDerWaalsContact O-CG 3.3Å; E77-R81 WeakPolarHBondContact O-CG 3.31Å; E77-R81 PolarHBondContact O-N 3.35Å; E77-R81 IonicContact OE2-CZ 3.15Å; E77-R81 IonicContact OE2-NH2 2.78Å; E77-R81 PolarHBondContact OE2-NH2 3.04Å
78	V	90.3	Very high	87.8	Confident	20 Å²	20	76.1 Å²	76.1	12%	0.121	36%	0.364	C	S	.	.	H	α-helix	trans	-58.2	-47.6	176.6	169	0	0	0	0	110.3	M74 I75 S80 R81 I82 L243 A246 V247	M74-V78 WeakPolarHBondContact O-CG2 3.19Å; M74-V78 PolarHBondContact O-N 3.46Å; I75-V78 PolarHBondContact O-N 2.97Å; V78-S80 PolarHBondContact O-N 3.36Å; V78-R81 PolarHBondContact O-N 2.97Å; V78-I82 HydrophobicContact CG1-CD1 3.86Å; V78-I82 WeakPolarHBondContact O-CD1 3.46Å; V78-I82 VanDerWaalsContact O-CG1 3.31Å; V78-I82 WeakPolarHBondContact O-CG1 3.46Å; V78-I82 PolarHBondContact O-N 2.91Å; V78-I82 VanDerWaalsContact O-N 3.14Å; V78-L243 HydrophobicContact CG1-CD1 4.29Å; V78-A246 HydrophobicContact CG1-CB 3.76Å; V78-V247 HydrophobicContact CB-CG2 4.42Å; V78-V247 HydrophobicContact CG1-CG2 3.95Å
79	Y	91.1	Very high	88.1	Confident	18 Å²	18	72.6 Å²	72.6	7%	0.071	37%	0.366	C	S	.	.	H	α-helix	trans	-58.4	-47.2	174.6	176	-117	0	0	0	112.8	I75 E77 R81 I82 R83 F235 E236 L239 L243 F442	I75-Y79 PolarHBondContact O-N 2.92Å; E77-Y79 VanDerWaalsContact C-N 3.34Å; E77-Y79 PolarHBondContact O-N 3.32Å; Y79-R81 VanDerWaalsContact C-N 3.33Å; Y79-R81 PolarHBondContact O-N 3.09Å; Y79-I82 PolarHBondContact O-N 3.39Å; Y79-R83 WeakPolarHBondContact O-CB 3.41Å; Y79-R83 PolarHBondContact O-N 3.41Å; Y79-F235 HydrophobicContact CD1-CB 4.45Å; Y79-F235 HydrophobicContact CD2-CB 4.17Å; Y79-F235 HydrophobicContact CE1-CB 3.88Å; Y79-F235 HydrophobicContact CE2-CB 3.57Å; Y79-F235 HydrophobicContact CE2-CG 4.39Å; Y79-E236 PolarHBondContact OH-N 2.87Å; Y79-E236 VanDerWaalsContact OH-N 3.15Å; Y79-L239 HydrophobicContact CE2-CB 4.19Å; Y79-L239 HydrophobicContact CE2-CD1 3.67Å; Y79-L243 HydrophobicContact CD2-CD1 4.4Å; Y79-L243 HydrophobicContact CD2-CD2 4.23Å; Y79-F442 AromaticContact CD1-CE1 3.97Å; Y79-F442 HydrophobicContact CD1-CE1 3.97Å; Y79-F442 AromaticContact CD1-CZ 3.83Å; Y79-F442 HydrophobicContact CD1-CZ 3.83Å; Y79-F442 HydrophobicContact CG-CE1 4.4Å; Y79-F442 AromaticContact CG-CZ 3.81Å; Y79-F442 HydrophobicContact CG-CZ 3.81Å
80	S	89.8	Confident	88.3	Confident	65 Å²	65	69.1 Å²	69.1	46%	0.455	36%	0.356	S	S	.	.	H	α-helix	trans	-60.3	-41.9	-179.4	-168.6	0	0	0	0	112.2	R76 E77 V78 I82 R83 C84	R76-S80 WeakPolarHBondContact O-CB 3.3Å; R76-S80 PolarHBondContact O-N 3.13Å; E77-S80 PolarHBondContact O-N 2.91Å; V78-S80 PolarHBondContact O-N 3.36Å; S80-I82 PolarHBondContact O-N 3.29Å; S80-R83 PolarHBondContact O-N 2.94Å; S80-C84 WeakPolarHBondContact O-CB 3.4Å; S80-C84 PolarHBondContact O-N 3.24Å; S80-C84 PolarHBondContact O-SG 3.26Å; S80-C84 VanDerWaalsContact O-SG 3.35Å
81	R	91.1	Very high	88.5	Confident	160 Å²	160	73.3 Å²	73.3	60%	0.604	37%	0.372	S	S	*	.	H	α-helix	trans	-62.4	-44	176	-65.5	170.9	-153.8	178	6.6	111.8	E77 V78 Y79 A85	E77-R81 VanDerWaalsContact O-CG 3.3Å; E77-R81 WeakPolarHBondContact O-CG 3.31Å; E77-R81 PolarHBondContact O-N 3.35Å; E77-R81 IonicContact OE2-CZ 3.15Å; E77-R81 IonicContact OE2-NH2 2.78Å; E77-R81 PolarHBondContact OE2-NH2 3.04Å; V78-R81 PolarHBondContact O-N 2.97Å; Y79-R81 VanDerWaalsContact C-N 3.33Å; Y79-R81 PolarHBondContact O-N 3.09Å; R81-A85 WeakPolarHBondContact O-CB 3.38Å; R81-A85 PolarHBondContact O-N 2.94Å
82	I	90.5	Very high	88.5	Confident	25 Å²	25	77.9 Å²	77.9	13%	0.128	40%	0.396	C	S	.	.	H	α-helix	trans	-62.5	-48.3	176.6	-66.2	163.8	0	0	0	110.5	V78 Y79 S80 C84 A85 N86 L239 Q242 L243 A246	V78-I82 HydrophobicContact CG1-CD1 3.86Å; V78-I82 WeakPolarHBondContact O-CD1 3.46Å; V78-I82 VanDerWaalsContact O-CG1 3.31Å; V78-I82 WeakPolarHBondContact O-CG1 3.46Å; V78-I82 PolarHBondContact O-N 2.91Å; V78-I82 VanDerWaalsContact O-N 3.14Å; Y79-I82 PolarHBondContact O-N 3.39Å; S80-I82 PolarHBondContact O-N 3.29Å; I82-C84 PolarHBondContact O-N 3.48Å; I82-A85 PolarHBondContact O-N 2.95Å; I82-N86 WeakPolarHBondContact O-CB 3.39Å; I82-N86 PolarHBondContact O-N 2.86Å; I82-L239 HydrophobicContact CG2-CD2 4.28Å; I82-Q242 HydrophobicContact CG2-CB 3.93Å; I82-L243 HydrophobicContact CD1-CB 4.5Å; I82-L243 HydrophobicContact CD1-CD1 4.37Å; I82-A246 HydrophobicContact CD1-CB 3.65Å
83	R	90.3	Very high	88.6	Confident	108 Å²	108	80.3 Å²	80.3	41%	0.408	41%	0.407	S	S	.	.	H	α-helix	trans	-61.1	-46.4	-179.7	-165.5	-177	-168.1	-156.7	2.8	111.6	Y79 S80 N86 L87 E236 L239	Y79-R83 WeakPolarHBondContact O-CB 3.41Å; Y79-R83 PolarHBondContact O-N 3.41Å; S80-R83 PolarHBondContact O-N 2.94Å; R83-N86 PolarHBondContact O-N 3.27Å; R83-L87 HydrophobicContact CG-CD1 4.18Å; R83-L87 WeakPolarHBondContact O-CB 3.5Å; R83-L87 VanDerWaalsContact O-CG 3.28Å; R83-L87 WeakPolarHBondContact O-CG 3.33Å; R83-L87 PolarHBondContact O-N 3Å; R83-E236 IonicContact CZ-OE1 3.81Å; R83-E236 IonicContact NE-OE1 3.18Å; R83-E236 PolarHBondContact NE-OE1 3.01Å; R83-E236 IonicContact NH2-OE1 3.91Å; R83-E236 PolarHBondContact NH2-OE1 3.13Å; R83-L239 HydrophobicContact CB-CD1 4Å; R83-L239 HydrophobicContact CG-CD1 3.98Å
84	C	89.4	Confident	88.8	Confident	71 Å²	71	79.9 Å²	79.9	48%	0.48	41%	0.405	S	S	.	.	H	α-helix	trans	-60.3	-47.2	174.9	-72	0	0	0	0	111.9	S80 I82 N86 L87 T88	S80-C84 WeakPolarHBondContact O-CB 3.4Å; S80-C84 PolarHBondContact O-N 3.24Å; S80-C84 PolarHBondContact O-SG 3.26Å; S80-C84 VanDerWaalsContact O-SG 3.35Å; I82-C84 PolarHBondContact O-N 3.48Å; C84-N86 VanDerWaalsContact C-N 3.34Å; C84-N86 PolarHBondContact O-N 3.39Å; C84-L87 PolarHBondContact O-N 3.25Å; C84-T88 WeakPolarHBondContact O-CB 3.47Å; C84-T88 PolarHBondContact O-N 3.42Å; C84-T88 PolarHBondContact O-OG1 3.01Å; C84-T88 VanDerWaalsContact O-OG1 3.13Å
85	A	89.5	Confident	88.9	Confident	61 Å²	61	84.6 Å²	84.6	50%	0.504	42%	0.424	S	S	.	.	H	α-helix	trans	-61.1	-41.5	178.3	0	0	0	0	0	112.6	R81 I82 S89	R81-A85 WeakPolarHBondContact O-CB 3.38Å; R81-A85 PolarHBondContact O-N 2.94Å; I82-A85 PolarHBondContact O-N 2.95Å; A85-S89 WeakPolarHBondContact O-CB 3.31Å; A85-S89 PolarHBondContact O-N 3.14Å
86	N	87	Confident	88.9	Confident	29 Å²	29	90.4 Å²	90.4	16%	0.155	45%	0.451	C	S	.	.	H	α-helix	trans	-65.8	-41.6	178.4	-156.7	-66.7	0	0	0	111.6	I82 R83 C84 K90 L239 Q242	I82-N86 WeakPolarHBondContact O-CB 3.39Å; I82-N86 PolarHBondContact O-N 2.86Å; R83-N86 PolarHBondContact O-N 3.27Å; C84-N86 VanDerWaalsContact C-N 3.34Å; C84-N86 PolarHBondContact O-N 3.39Å; N86-K90 WeakPolarHBondContact O-CG 3.3Å; N86-K90 PolarHBondContact O-N 3.49Å; N86-K90 VanDerWaalsContact OD1-CE 3.24Å; N86-K90 WeakPolarHBondContact OD1-CE 3.35Å; N86-K90 PolarHBondContact OD1-NZ 2.98Å; N86-L239 HydrophobicContact CB-CD2 4.12Å; N86-L239 VanDerWaalsContact ND2-CD2 3.29Å; N86-L239 WeakPolarHBondContact ND2-CD2 3.4Å; N86-Q242 PolarHBondContact ND2-OE1 3.2Å
87	L	86.8	Confident	89	Confident	99 Å²	99	89.6 Å²	89.6	52%	0.518	46%	0.455	S	S	.	.	H	α-helix	trans	-65.6	-47.9	174.7	-71.5	169.4	0	0	0	112.2	R83 C84 S89 K90 W91	R83-L87 HydrophobicContact CG-CD1 4.18Å; R83-L87 WeakPolarHBondContact O-CB 3.5Å; R83-L87 VanDerWaalsContact O-CG 3.28Å; R83-L87 WeakPolarHBondContact O-CG 3.33Å; R83-L87 PolarHBondContact O-N 3Å; C84-L87 PolarHBondContact O-N 3.25Å; L87-S89 PolarHBondContact O-N 2.95Å; L87-K90 PolarHBondContact O-N 3.43Å; L87-W91 PolarHBondContact O-N 2.75Å
88	T	88.1	Confident	89.2	Confident	104 Å²	104	91.2 Å²	91.2	64%	0.638	46%	0.464	S	S	*	.	H	α-helix	trans	-64.3	-40.5	178.7	-60	0	0	0	0	111.9	C84 K90 W91	C84-T88 WeakPolarHBondContact O-CB 3.47Å; C84-T88 PolarHBondContact O-N 3.42Å; C84-T88 PolarHBondContact O-OG1 3.01Å; C84-T88 VanDerWaalsContact O-OG1 3.13Å; T88-K90 VanDerWaalsContact C-N 3.28Å; T88-K90 PolarHBondContact O-N 3.42Å; T88-W91 WeakPolarHBondContact O-CB 3.34Å; T88-W91 PolarHBondContact O-N 3.45Å
89	S	85.2	Confident	89.3	Confident	100 Å²	100	93 Å²	93	70%	0.699	48%	0.477	S	S	*	.	H	α-helix	trans	-60.7	-36.9	175.8	175.9	0	0	0	0	112.4	A85 L87	A85-S89 WeakPolarHBondContact O-CB 3.31Å; A85-S89 PolarHBondContact O-N 3.14Å; L87-S89 PolarHBondContact O-N 2.95Å
90	K	87.5	Confident	89.4	Confident	110 Å²	110	98.6 Å²	98.6	48%	0.478	50%	0.502	S	S	.	.	H	α-helix	trans	-81	-22.2	176.6	-72.7	168.9	175.7	164.8	0	113.9	N86 L87 T88 N92 H93 V94	N86-K90 WeakPolarHBondContact O-CG 3.3Å; N86-K90 PolarHBondContact O-N 3.49Å; N86-K90 VanDerWaalsContact OD1-CE 3.24Å; N86-K90 WeakPolarHBondContact OD1-CE 3.35Å; N86-K90 PolarHBondContact OD1-NZ 2.98Å; L87-K90 PolarHBondContact O-N 3.43Å; T88-K90 VanDerWaalsContact C-N 3.28Å; T88-K90 PolarHBondContact O-N 3.42Å; K90-N92 PolarHBondContact O-N 3.07Å; K90-H93 PolarHBondContact O-N 3.12Å; K90-V94 HydrophobicContact CB-CG2 4.49Å; K90-V94 WeakPolarHBondContact O-CG2 3.4Å; K90-V94 PolarHBondContact O-N 2.86Å
91	W	88	Confident	89.6	Confident	177 Å²	177	99.3 Å²	99.3	67%	0.67	50%	0.5	S	S	*	.	H	α-helix	trans	-54.8	-51	-170	-177.1	-94.3	0	0	0	113.4	L87 T88 H93 V94 F95	L87-W91 PolarHBondContact O-N 2.75Å; T88-W91 WeakPolarHBondContact O-CB 3.34Å; T88-W91 PolarHBondContact O-N 3.45Å; W91-H93 VanDerWaalsContact C-N 3.34Å; W91-H93 PolarHBondContact O-N 2.83Å; W91-V94 PolarHBondContact O-N 3.16Å; W91-F95 WeakPolarHBondContact O-CB 3.26Å; W91-F95 PolarHBondContact O-N 3.01Å
92	N	85.3	Confident	89.8	Confident	123 Å²	123	100.7 Å²	100.7	66%	0.658	51%	0.506	S	S	*	.	H	α-helix	trans	-62.6	-41.8	-177.5	-65.9	-6.1	0	0	0	111.8	K90 F95 E96	K90-N92 PolarHBondContact O-N 3.07Å; N92-F95 PolarHBondContact O-N 2.96Å; N92-E96 PolarHBondContact O-N 2.87Å
93	H	86.9	Confident	89.9	Confident	111 Å²	111	107.5 Å²	107.5	51%	0.514	53%	0.53	S	S	.	.	H	α-helix	trans	-68.3	-40.6	178.1	-175.7	56.6	0	0	0	112.2	K90 W91 F95 E96 L97	K90-H93 PolarHBondContact O-N 3.12Å; W91-H93 VanDerWaalsContact C-N 3.34Å; W91-H93 PolarHBondContact O-N 2.83Å; H93-F95 VanDerWaalsContact C-N 3.34Å; H93-F95 PolarHBondContact O-N 2.98Å; H93-E96 PolarHBondContact O-N 3.08Å; H93-L97 WeakPolarHBondContact O-CB 3.38Å; H93-L97 VanDerWaalsContact O-CG 3.29Å; H93-L97 WeakPolarHBondContact O-CG 3.44Å; H93-L97 PolarHBondContact O-N 3.48Å
94	V	91	Very high	90	Very high	69 Å²	69	106 Å²	106	42%	0.418	53%	0.529	S	S	.	.	H	α-helix	trans	-64.8	-38.6	174	172.6	0	0	0	0	111.2	K90 W91 L97 M98	K90-V94 HydrophobicContact CB-CG2 4.49Å; K90-V94 WeakPolarHBondContact O-CG2 3.4Å; K90-V94 PolarHBondContact O-N 2.86Å; W91-V94 PolarHBondContact O-N 3.16Å; V94-L97 PolarHBondContact O-N 3.2Å; V94-M98 HydrophobicContact CG1-CG 4.33Å; V94-M98 WeakPolarHBondContact O-CB 3.27Å; V94-M98 VanDerWaalsContact O-CG 3.23Å; V94-M98 WeakPolarHBondContact O-CG 3.27Å; V94-M98 PolarHBondContact O-N 2.7Å
95	F	90.5	Very high	90.2	Very high	136 Å²	136	106.5 Å²	106.5	60%	0.596	53%	0.527	S	S	*	.	H	α-helix	trans	-64.5	-43.7	175.7	178.5	-94.1	0	0	0	112.3	W91 N92 H93 M98 S99	W91-F95 WeakPolarHBondContact O-CB 3.26Å; W91-F95 PolarHBondContact O-N 3.01Å; N92-F95 PolarHBondContact O-N 2.96Å; H93-F95 VanDerWaalsContact C-N 3.34Å; H93-F95 PolarHBondContact O-N 2.98Å; F95-M98 PolarHBondContact O-N 2.89Å; F95-S99 WeakPolarHBondContact O-CB 3.3Å; F95-S99 PolarHBondContact O-N 3.28Å; F95-S99 PolarHBondContact O-OG 3.5Å
96	E	89.7	Confident	90.3	Very high	122 Å²	122	106.5 Å²	106.5	57%	0.57	52%	0.523	S	S	*	.	H	α-helix	trans	-60.2	-50	173.7	-169.8	-164	165.3	0	0	111.5	N92 H93 M98 S99 K100	N92-E96 PolarHBondContact O-N 2.87Å; H93-E96 PolarHBondContact O-N 3.08Å; E96-M98 PolarHBondContact O-N 3.49Å; E96-S99 PolarHBondContact O-N 3.44Å; E96-S99 VanDerWaalsContact O-N 3.16Å; E96-K100 WeakPolarHBondContact O-CB 3.4Å; E96-K100 PolarHBondContact O-N 2.73Å
97	L	92	Very high	90.5	Very high	87 Å²	87	109.3 Å²	109.3	46%	0.455	54%	0.535	S	S	.	.	H	α-helix	trans	-58.5	-44	177	-74.1	172.8	0	0	0	112.2	H93 V94 S99 K100 N101	H93-L97 WeakPolarHBondContact O-CB 3.38Å; H93-L97 VanDerWaalsContact O-CG 3.29Å; H93-L97 WeakPolarHBondContact O-CG 3.44Å; H93-L97 PolarHBondContact O-N 3.48Å; V94-L97 PolarHBondContact O-N 3.2Å; L97-S99 VanDerWaalsContact C-N 3.33Å; L97-S99 PolarHBondContact O-N 3.29Å; L97-K100 PolarHBondContact O-N 2.72Å; L97-N101 VanDerWaalsContact O-CB 3.22Å; L97-N101 WeakPolarHBondContact O-CB 3.45Å; L97-N101 PolarHBondContact O-N 3.14Å
98	M	92.2	Very high	90.8	Very high	121 Å²	121	110.7 Å²	110.7	60%	0.596	54%	0.539	S	S	*	.	H	α-helix	trans	-64.9	-36.4	176.7	-76	-68.5	179.5	0	0	112.5	V94 F95 E96 R102	V94-M98 HydrophobicContact CG1-CG 4.33Å; V94-M98 WeakPolarHBondContact O-CB 3.27Å; V94-M98 VanDerWaalsContact O-CG 3.23Å; V94-M98 WeakPolarHBondContact O-CG 3.27Å; V94-M98 PolarHBondContact O-N 2.7Å; F95-M98 PolarHBondContact O-N 2.89Å; E96-M98 PolarHBondContact O-N 3.49Å; M98-R102 WeakPolarHBondContact O-CB 3.42Å; M98-R102 PolarHBondContact O-N 2.76Å
99	S	92.9	Very high	90.9	Very high	57 Å²	57	111.4 Å²	111.4	40%	0.399	54%	0.538	S	S	.	.	H	α-helix	trans	-69.6	-44.1	177.6	-59.3	0	0	0	0	111.3	F95 E96 L97 R102 R103	F95-S99 WeakPolarHBondContact O-CB 3.3Å; F95-S99 PolarHBondContact O-N 3.28Å; F95-S99 PolarHBondContact O-OG 3.5Å; E96-S99 PolarHBondContact O-N 3.44Å; E96-S99 VanDerWaalsContact O-N 3.16Å; L97-S99 VanDerWaalsContact C-N 3.33Å; L97-S99 PolarHBondContact O-N 3.29Å; S99-R102 PolarHBondContact O-N 3.39Å; S99-R103 PolarHBondContact O-N 3.32Å; S99-R103 VanDerWaalsContact O-N 3.11Å
100	K	93.7	Very high	91	Very high	136 Å²	136	111.7 Å²	111.7	59%	0.591	53%	0.532	S	S	*	.	H	α-helix	trans	-61.8	-43.9	172.7	-173.5	174.9	-178.1	175.5	0	111.9	E96 L97 R103 L104	E96-K100 WeakPolarHBondContact O-CB 3.4Å; E96-K100 PolarHBondContact O-N 2.73Å; L97-K100 PolarHBondContact O-N 2.72Å; K100-R103 PolarHBondContact O-N 3.47Å; K100-L104 HydrophobicContact CG-CD1 4.39Å; K100-L104 WeakPolarHBondContact O-CG 3.37Å; K100-L104 PolarHBondContact O-N 2.98Å
101	N	94.7	Very high	90.9	Very high	79 Å²	79	110.1 Å²	110.1	42%	0.422	54%	0.535	S	S	.	.	H	α-helix	trans	-65	-42.7	177.3	-172.7	49	0	0	0	112.2	L97 R103 L104 L105	L97-N101 VanDerWaalsContact O-CB 3.22Å; L97-N101 WeakPolarHBondContact O-CB 3.45Å; L97-N101 PolarHBondContact O-N 3.14Å; N101-R103 VanDerWaalsContact C-N 3.32Å; N101-R103 PolarHBondContact O-N 2.81Å; N101-L104 PolarHBondContact O-N 2.68Å; N101-L105 WeakPolarHBondContact O-CB 3.49Å; N101-L105 WeakPolarHBondContact O-CG 3.49Å; N101-L105 PolarHBondContact O-N 2.92Å
102	R	94.7	Very high	90.7	Very high	190 Å²	190	103.9 Å²	103.9	72%	0.717	52%	0.521	S	S	*	.	H	α-helix	trans	-57.8	-45	174.3	-178.7	-178.4	-68.1	-105	1	111.4	M98 S99 L105 S106	M98-R102 WeakPolarHBondContact O-CB 3.42Å; M98-R102 PolarHBondContact O-N 2.76Å; S99-R102 PolarHBondContact O-N 3.39Å; R102-L105 PolarHBondContact O-N 3.38Å; R102-S106 PolarHBondContact O-N 2.86Å; R102-S106 PolarHBondContact O-OG 3.21Å
103	R	92	Very high	90.5	Very high	168 Å²	168	105.4 Å²	105.4	63%	0.634	52%	0.519	S	S	*	.	H	α-helix	trans	-59.4	-50.7	176.2	177.7	178.3	170.2	162	5.4	111.7	S99 K100 N101 L105 S106 E107	S99-R103 PolarHBondContact O-N 3.32Å; S99-R103 VanDerWaalsContact O-N 3.11Å; K100-R103 PolarHBondContact O-N 3.47Å; N101-R103 VanDerWaalsContact C-N 3.32Å; N101-R103 PolarHBondContact O-N 2.81Å; R103-L105 VanDerWaalsContact C-N 3.32Å; R103-L105 PolarHBondContact O-N 3.5Å; R103-S106 PolarHBondContact O-N 2.99Å; R103-E107 HydrophobicContact CG-CG 4.42Å; R103-E107 IonicContact CZ-OE1 3.61Å; R103-E107 VanDerWaalsContact CZ-OE1 3.22Å; R103-E107 IonicContact NE-OE1 3.43Å; R103-E107 PolarHBondContact NE-OE1 2.89Å; R103-E107 IonicContact NE-OE2 2.69Å; R103-E107 IonicContact NH2-OE1 3.7Å; R103-E107 PolarHBondContact NH2-OE1 2.57Å; R103-E107 WeakPolarHBondContact O-CG 3.35Å; R103-E107 PolarHBondContact O-N 3.33Å
104	L	93.5	Very high	90.2	Very high	76 Å²	76	104.3 Å²	104.3	40%	0.398	52%	0.52	S	S	.	.	H	α-helix	trans	-59.7	-41.8	179.1	-71	169.5	0	0	0	112	K100 N101 E107 Q108	K100-L104 HydrophobicContact CG-CD1 4.39Å; K100-L104 WeakPolarHBondContact O-CG 3.37Å; K100-L104 PolarHBondContact O-N 2.98Å; N101-L104 PolarHBondContact O-N 2.68Å; L104-E107 PolarHBondContact O-N 3.35Å; L104-Q108 VanDerWaalsContact O-CB 3.31Å; L104-Q108 WeakPolarHBondContact O-CB 3.5Å; L104-Q108 VanDerWaalsContact O-CG 3.27Å; L104-Q108 WeakPolarHBondContact O-CG 3.19Å; L104-Q108 PolarHBondContact O-N 3.07Å
105	L	92.6	Very high	89.6	Confident	81 Å²	81	103.4 Å²	103.4	42%	0.424	52%	0.519	S	S	.	.	H	α-helix	trans	-62.6	-43	175.5	-74.1	168.8	0	0	0	112	N101 R102 R103 L109	N101-L105 WeakPolarHBondContact O-CB 3.49Å; N101-L105 WeakPolarHBondContact O-CG 3.49Å; N101-L105 PolarHBondContact O-N 2.92Å; R102-L105 PolarHBondContact O-N 3.38Å; R103-L105 VanDerWaalsContact C-N 3.32Å; R103-L105 PolarHBondContact O-N 3.5Å; L105-L109 VanDerWaalsContact O-CB 3.22Å; L105-L109 WeakPolarHBondContact O-CB 3.48Å; L105-L109 VanDerWaalsContact O-CG 3.23Å; L105-L109 WeakPolarHBondContact O-CG 3.35Å; L105-L109 PolarHBondContact O-N 3.29Å
106	S	92.3	Very high	89.1	Confident	62 Å²	62	101.8 Å²	101.8	43%	0.434	52%	0.517	S	S	.	.	H	α-helix	trans	-65.7	-42	175.8	-66.2	0	0	0	0	112.7	R102 R103 N110	R102-S106 PolarHBondContact O-N 2.86Å; R102-S106 PolarHBondContact O-OG 3.21Å; R103-S106 PolarHBondContact O-N 2.99Å; S106-N110 VanDerWaalsContact O-CB 3.28Å; S106-N110 WeakPolarHBondContact O-CB 3.46Å; S106-N110 PolarHBondContact O-N 3.49Å; S106-N110 PolarHBondContact O-ND2 2.9Å
107	E	91.3	Very high	88.2	Confident	88 Å²	88	100.4 Å²	100.4	41%	0.411	51%	0.513	S	S	.	.	H	α-helix	trans	-63.3	-44.7	176.3	-72.1	171.1	163.2	0	0	111.2	R103 L104 S111	R103-E107 HydrophobicContact CG-CG 4.42Å; R103-E107 IonicContact CZ-OE1 3.61Å; R103-E107 VanDerWaalsContact CZ-OE1 3.22Å; R103-E107 IonicContact NE-OE1 3.43Å; R103-E107 PolarHBondContact NE-OE1 2.89Å; R103-E107 IonicContact NE-OE2 2.69Å; R103-E107 IonicContact NH2-OE1 3.7Å; R103-E107 PolarHBondContact NH2-OE1 2.57Å; R103-E107 WeakPolarHBondContact O-CG 3.35Å; R103-E107 PolarHBondContact O-N 3.33Å; L104-E107 PolarHBondContact O-N 3.35Å; E107-S111 VanDerWaalsContact O-CB 3.31Å; E107-S111 WeakPolarHBondContact O-CB 3.43Å; E107-S111 PolarHBondContact O-N 3.13Å; E107-S111 VanDerWaalsContact O-N 3.12Å
108	Q	91.9	Very high	87.3	Confident	127 Å²	127	101.3 Å²	101.3	59%	0.593	53%	0.527	S	S	*	.	H	α-helix	trans	-68.9	-45.2	178.2	-73.5	177.4	-8.6	0	0	113	L104 S111 A112	L104-Q108 VanDerWaalsContact O-CB 3.31Å; L104-Q108 WeakPolarHBondContact O-CB 3.5Å; L104-Q108 VanDerWaalsContact O-CG 3.27Å; L104-Q108 WeakPolarHBondContact O-CG 3.19Å; L104-Q108 PolarHBondContact O-N 3.07Å; Q108-S111 PolarHBondContact O-N 3.41Å; Q108-A112 VanDerWaalsContact O-CB 3.28Å; Q108-A112 WeakPolarHBondContact O-CB 3.31Å; Q108-A112 PolarHBondContact O-N 3.02Å
109	L	90.9	Very high	86.2	Confident	119 Å²	119	99.1 Å²	99.1	62%	0.623	53%	0.528	S	S	*	.	H	α-helix	trans	-64.8	-42.7	179.3	-75.5	169.4	0	0	0	111.6	L105 A112 Y113	L105-L109 VanDerWaalsContact O-CB 3.22Å; L105-L109 WeakPolarHBondContact O-CB 3.48Å; L105-L109 VanDerWaalsContact O-CG 3.23Å; L105-L109 WeakPolarHBondContact O-CG 3.35Å; L105-L109 PolarHBondContact O-N 3.29Å; L109-A112 PolarHBondContact O-N 3.4Å; L109-Y113 WeakPolarHBondContact O-CB 3.47Å; L109-Y113 PolarHBondContact O-N 3.32Å
110	N	88.5	Confident	84.6	Confident	107 Å²	107	105.5 Å²	105.5	57%	0.572	54%	0.543	S	S	*	.	H	α-helix	trans	-63.6	-44.8	176.9	-73.1	-11.3	0	0	0	111.4	S106 Y113 T114	S106-N110 VanDerWaalsContact O-CB 3.28Å; S106-N110 WeakPolarHBondContact O-CB 3.46Å; S106-N110 PolarHBondContact O-N 3.49Å; S106-N110 PolarHBondContact O-ND2 2.9Å; N110-Y113 PolarHBondContact O-N 3.03Å; N110-T114 WeakPolarHBondContact O-CG2 3.47Å; N110-T114 PolarHBondContact O-N 3.04Å; N110-T114 PolarHBondContact O-OG1 3.23Å; N110-T114 VanDerWaalsContact O-OG1 3.1Å
111	S	85.2	Confident	82.8	Confident	76 Å²	76	104.4 Å²	104.4	53%	0.531	55%	0.553	S	S	.	*	H	α-helix	trans	-63.7	-43.5	177.5	-173.3	0	0	0	0	112.5	E107 Q108 T114 A115	E107-S111 VanDerWaalsContact O-CB 3.31Å; E107-S111 WeakPolarHBondContact O-CB 3.43Å; E107-S111 PolarHBondContact O-N 3.13Å; E107-S111 VanDerWaalsContact O-N 3.12Å; Q108-S111 PolarHBondContact O-N 3.41Å; S111-T114 PolarHBondContact O-OG1 2.89Å; S111-A115 VanDerWaalsContact O-CB 3.23Å; S111-A115 WeakPolarHBondContact O-CB 3.29Å; S111-A115 PolarHBondContact O-N 3.47Å
112	A	82.2	Confident	80.8	Confident	46 Å²	46	107 Å²	107	38%	0.38	57%	0.565	S	S	.	*	H	α-helix	trans	-67.2	-36.9	175.9	0	0	0	0	0	112.2	Q108 L109 N116	Q108-A112 VanDerWaalsContact O-CB 3.28Å; Q108-A112 WeakPolarHBondContact O-CB 3.31Å; Q108-A112 PolarHBondContact O-N 3.02Å; L109-A112 PolarHBondContact O-N 3.4Å; A112-N116 VanDerWaalsContact O-CB 3.25Å; A112-N116 WeakPolarHBondContact O-CB 3.41Å; A112-N116 VanDerWaalsContact O-CG 3.25Å; A112-N116 PolarHBondContact O-N 3.31Å; A112-N116 PolarHBondContact O-ND2 2.91Å
113	Y	82.9	Confident	78.3	Confident	156 Å²	156	102.7 Å²	102.7	61%	0.612	56%	0.56	S	S	*	*	H	α-helix	trans	-69.3	-44.9	179.1	-176.3	-113.3	0	0	0	112	L109 N110 N116 L117	L109-Y113 WeakPolarHBondContact O-CB 3.47Å; L109-Y113 PolarHBondContact O-N 3.32Å; N110-Y113 PolarHBondContact O-N 3.03Å; Y113-N116 PolarHBondContact O-N 3.45Å; Y113-L117 HydrophobicContact CD1-CD1 3.86Å; Y113-L117 HydrophobicContact CE1-CD1 3.42Å; Y113-L117 VanDerWaalsContact CE1-CD1 3.42Å; Y113-L117 HydrophobicContact CE1-CG 4.48Å; Y113-L117 HydrophobicContact CE2-CD1 4.2Å; Y113-L117 HydrophobicContact CE2-CG 4.47Å; Y113-L117 HydrophobicContact CG-CD1 4.42Å; Y113-L117 WeakPolarHBondContact O-CB 3.28Å; Y113-L117 PolarHBondContact O-N 3.43Å
114	T	79.8	Confident	76.1	Confident	87 Å²	87	99.9 Å²	99.9	53%	0.534	57%	0.565	S	S	.	*	H	α-helix	trans	-66.9	-40.8	175.8	54.6	0	0	0	0	112	N110 S111 L117 S118	N110-T114 WeakPolarHBondContact O-CG2 3.47Å; N110-T114 PolarHBondContact O-N 3.04Å; N110-T114 PolarHBondContact O-OG1 3.23Å; N110-T114 VanDerWaalsContact O-OG1 3.1Å; S111-T114 PolarHBondContact O-OG1 2.89Å; T114-L117 PolarHBondContact O-N 3.22Å; T114-S118 WeakPolarHBondContact O-CB 3.15Å; T114-S118 PolarHBondContact O-N 3.49Å; T114-S118 PolarHBondContact O-OG 2.95Å
115	A	79.3	Confident	73.4	Confident	50 Å²	50	102 Å²	102	41%	0.413	58%	0.577	S	S	.	*	H	α-helix	trans	-59.1	-51.1	173.6	0	0	0	0	0	111.5	S111 L117 S118 A119	S111-A115 VanDerWaalsContact O-CB 3.23Å; S111-A115 WeakPolarHBondContact O-CB 3.29Å; S111-A115 PolarHBondContact O-N 3.47Å; A115-L117 VanDerWaalsContact C-N 3.34Å; A115-L117 PolarHBondContact O-N 3.02Å; A115-S118 PolarHBondContact O-N 3Å; A115-S118 PolarHBondContact O-OG 3Å; A115-A119 WeakPolarHBondContact O-CB 3.45Å; A115-A119 PolarHBondContact O-N 3.35Å
116	N	78.5	Confident	71	Confident	102 Å²	102	107.1 Å²	107.1	55%	0.545	60%	0.599	S	S	.	*	H	α-helix	trans	-64.3	-33.6	178.9	-76.7	-49.4	0	0	0	113.3	A112 Y113 R120	A112-N116 VanDerWaalsContact O-CB 3.25Å; A112-N116 WeakPolarHBondContact O-CB 3.41Å; A112-N116 VanDerWaalsContact O-CG 3.25Å; A112-N116 PolarHBondContact O-N 3.31Å; A112-N116 PolarHBondContact O-ND2 2.91Å; Y113-N116 PolarHBondContact O-N 3.45Å; N116-R120 WeakPolarHBondContact O-CB 3.24Å; N116-R120 VanDerWaalsContact O-CG 3.23Å; N116-R120 WeakPolarHBondContact O-CG 3.43Å; N116-R120 PolarHBondContact O-N 3.15Å
117	L	72.1	Confident	68.6	Low	94 Å²	94	112.1 Å²	112.1	49%	0.492	62%	0.617	S	S	.	*	H	α-helix	trans	-65.5	-48.1	170.9	-86.9	168.4	0	0	0	111.4	Y113 T114 A115 A119 R120	Y113-L117 HydrophobicContact CD1-CD1 3.86Å; Y113-L117 HydrophobicContact CE1-CD1 3.42Å; Y113-L117 VanDerWaalsContact CE1-CD1 3.42Å; Y113-L117 HydrophobicContact CE1-CG 4.48Å; Y113-L117 HydrophobicContact CE2-CD1 4.2Å; Y113-L117 HydrophobicContact CE2-CG 4.47Å; Y113-L117 HydrophobicContact CG-CD1 4.42Å; Y113-L117 WeakPolarHBondContact O-CB 3.28Å; Y113-L117 PolarHBondContact O-N 3.43Å; T114-L117 PolarHBondContact O-N 3.22Å; A115-L117 VanDerWaalsContact C-N 3.34Å; A115-L117 PolarHBondContact O-N 3.02Å; L117-A119 PolarHBondContact O-N 3.41Å; L117-R120 PolarHBondContact O-N 2.89Å; L117-R120 VanDerWaalsContact O-N 3.15Å
118	S	73.1	Confident	66.3	Low	105 Å²	105	117.6 Å²	117.6	73%	0.734	63%	0.634	S	S	*	*	H	α-helix	trans	-64.7	-28.3	-179.3	70.2	0	0	0	0	113.5	T114 A115	T114-S118 WeakPolarHBondContact O-CB 3.15Å; T114-S118 PolarHBondContact O-N 3.49Å; T114-S118 PolarHBondContact O-OG 2.95Å; A115-S118 PolarHBondContact O-N 3Å; A115-S118 PolarHBondContact O-OG 3Å
119	A	69.1	Low	63.5	Low	76 Å²	76	117.2 Å²	117.2	63%	0.628	64%	0.643	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.4	-10	176.9	0	0	0	0	0	113.9	A115 L117 S121	A115-A119 WeakPolarHBondContact O-CB 3.45Å; A115-A119 PolarHBondContact O-N 3.35Å; L117-A119 PolarHBondContact O-N 3.41Å; A119-S121 PolarHBondContact O-N 2.88Å; A119-S121 VanDerWaalsContact O-N 3.1Å
120	R	58.5	Low	60.7	Low	191 Å²	191	119.4 Å²	119.4	72%	0.721	66%	0.655	S	S	*	*			trans	-84.9	80	-177.9	-93.2	177.4	167.6	-158.5	-4.7	112	N116 L117 I122	N116-R120 WeakPolarHBondContact O-CB 3.24Å; N116-R120 VanDerWaalsContact O-CG 3.23Å; N116-R120 WeakPolarHBondContact O-CG 3.43Å; N116-R120 PolarHBondContact O-N 3.15Å; L117-R120 PolarHBondContact O-N 2.89Å; L117-R120 VanDerWaalsContact O-N 3.15Å; R120-I122 PolarHBondContact O-N 3.4Å
121	S	55.5	Low	58.3	Low	113 Å²	113	119.1 Å²	119.1	79%	0.79	66%	0.661	S	S	*	*			trans	-84.8	22.5	160.1	73.9	0	0	0	0	112.9	A119 T123	A119-S121 PolarHBondContact O-N 2.88Å; A119-S121 VanDerWaalsContact O-N 3.1Å; S121-T123 PolarHBondContact O-N 2.74Å
122	I	53.1	Low	55.8	Low	134 Å²	134	121.9 Å²	121.9	69%	0.687	68%	0.68	S	S	*	*			trans	-91.1	95	-175.1	-54.9	176.9	0	0	0	108.9	R120	R120-I122 PolarHBondContact O-N 3.4Å
123	T	42	Very low	53.8	Low	99 Å²	99	124 Å²	124	61%	0.607	69%	0.692	S	S	*	*			trans	-62	133.6	162	37.9	0	0	0	0	109.7	S121 D125	S121-T123 PolarHBondContact O-N 2.74Å; T123-D125 WeakPolarHBondContact CB-OD2 3.22Å; T123-D125 WeakPolarHBondContact CG2-OD2 3.42Å; T123-D125 PolarHBondContact O-N 2.99Å
124	C	45.7	Very low	51.6	Low	109 Å²	109	123.2 Å²	123.2	74%	0.736	70%	0.704	S	S	*	*	S	Bend	trans	-85.8	5.9	173.5	-71.2	0	0	0	0	112.4	E126	C124-E126 PolarHBondContact O-N 3.32Å
125	D	37.5	Very low	49.7	Very low	120 Å²	120	125 Å²	125	64%	0.642	71%	0.71	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.4	-6.8	-159.5	-53.5	-75	0	0	0	115	T123	T123-D125 WeakPolarHBondContact CB-OD2 3.22Å; T123-D125 WeakPolarHBondContact CG2-OD2 3.42Å; T123-D125 PolarHBondContact O-N 2.99Å
126	E	41.4	Very low	47.9	Very low	189 Å²	189	127.8 Å²	127.8	88%	0.883	73%	0.725	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.4	0.3	-176.8	-65.3	-159	139.8	0	0	115.2	C124	C124-E126 PolarHBondContact O-N 3.32Å
127	M	41.4	Very low	46.2	Very low	167 Å²	167	129.2 Å²	129.2	82%	0.823	74%	0.74	S	S	*	*	S	Bend	trans	-118.1	-9.7	175.1	-75.8	-174	69.8	0	0	115.3
128	W	43.5	Very low	44.8	Very low	202 Å²	202	132.6 Å²	132.6	77%	0.765	76%	0.757	S	S	*	*			trans	-139.1	105.4	-173.7	-71	81.8	0	0	0	112	N130	W128-N130 PolarHBondContact O-N 3.39Å
129	P	33	Very low	43.2	Very low	119 Å²	119	136.3 Å²	136.3	77%	0.773	77%	0.768	S	S	*	*			trans	-74.8	116.5	175.2	-9.6	25.1	0	0	0	111.4
130	N	31.6	Very low	42	Very low	166 Å²	166	135.7 Å²	135.7	89%	0.888	76%	0.763	S	S	*	*			trans	57.8	83.2	159.9	-58.5	-27.5	0	0	0	118	W128	W128-N130 PolarHBondContact O-N 3.39Å
131	S	38.5	Very low	41.3	Very low	100 Å²	100	134.9 Å²	134.9	70%	0.699	77%	0.767	S	S	*	*			trans	-146.3	115.4	150.3	62.9	0	0	0	0	111.9	S133	S131-S133 PolarHBondContact O-N 2.75Å; S131-S133 VanDerWaalsContact O-N 3.15Å
132	S	33.6	Very low	40.7	Very low	134 Å²	134	135.6 Å²	135.6	94%	0.937	77%	0.769	S	S	*	*			trans	-74	100.4	177.2	54.4	0	0	0	0	111.3
133	S	40.2	Very low	40.4	Very low	90 Å²	90	132.2 Å²	132.2	63%	0.629	76%	0.755	S	S	*	*			trans	-146.8	126	170.5	-178	0	0	0	0	109.1	S131	S131-S133 PolarHBondContact O-N 2.75Å; S131-S133 VanDerWaalsContact O-N 3.15Å
134	T	37.1	Very low	40.5	Very low	141 Å²	141	136 Å²	136	87%	0.865	77%	0.766	S	S	*	*			trans	-90.4	-0.2	-176.9	37.7	0	0	0	0	114
135	D	39.9	Very low	40.7	Very low	123 Å²	123	136.8 Å²	136.8	66%	0.658	76%	0.761	S	S	*	*	S	Bend	trans	-98.4	124.5	-174.9	-61.3	-51.8	0	0	0	111.1
136	P	41.5	Very low	41.1	Very low	110 Å²	110	135.6 Å²	135.6	71%	0.714	76%	0.76	S	S	*	*	P	Polyproline II helix	trans	-67.5	126.5	170.3	28.5	-32.1	0	0	0	108.8	L138	P136-L138 PolarHBondContact O-N 3.21Å; P136-L138 VanDerWaalsContact O-N 3.1Å
137	P	42.8	Very low	41.5	Very low	132 Å²	132	134 Å²	134	86%	0.857	76%	0.758	S	S	*	*	P	Polyproline II helix	trans	-63	119	-176.4	24.2	-33.1	0	0	0	110.3
138	L	42.5	Very low	41.8	Very low	165 Å²	165	132.3 Å²	132.3	86%	0.864	76%	0.756	S	S	*	*	P	Polyproline II helix	trans	-59.3	149.3	177.1	-71.4	166.5	0	0	0	110.7	P136 A140	P136-L138 PolarHBondContact O-N 3.21Å; P136-L138 VanDerWaalsContact O-N 3.1Å; L138-A140 PolarHBondContact O-N 3.42Å
139	L	38.6	Very low	41.8	Very low	182 Å²	182	133.4 Å²	133.4	95%	0.953	76%	0.762	S	S	*	*			trans	-52.4	114.4	-180	-71.3	163.1	0	0	0	110.5
140	A	44.3	Very low	42.5	Very low	64 Å²	64	131.4 Å²	131.4	53%	0.529	75%	0.751	S	S	.	*	P	Polyproline II helix	trans	-67.9	152	-177	0	0	0	0	0	112.3	L138	L138-A140 PolarHBondContact O-N 3.42Å
141	E	44.3	Very low	43.3	Very low	173 Å²	173	132.9 Å²	132.9	81%	0.808	75%	0.752	S	S	*	*	P	Polyproline II helix	trans	-60.6	155.7	175.8	-69.1	-174.7	137.3	0	0	112.5	V143	E141-V143 PolarHBondContact O-N 2.91Å
142	P	43.3	Very low	44	Very low	129 Å²	129	136 Å²	136	84%	0.838	75%	0.753	S	S	*	*	P	Polyproline II helix	trans	-59.9	123.2	-176.2	23.4	-34.7	0	0	0	112.5
143	V	46.1	Very low	44.7	Very low	63 Å²	63	131.5 Å²	131.5	38%	0.382	73%	0.729	S	S	.	*	P	Polyproline II helix	trans	-82.7	122.1	-177.7	179.5	0	0	0	0	110.7	E141 F155 A157	E141-V143 PolarHBondContact O-N 2.91Å; V143-F155 HydrophobicContact CG1-CE1 4.36Å; V143-F155 HydrophobicContact CG1-CZ 4.09Å; V143-A157 HydrophobicContact CG1-CB 4.49Å
144	E	44.6	Very low	45.3	Very low	179 Å²	179	134.7 Å²	134.7	84%	0.836	73%	0.731	S	S	*	*	P	Polyproline II helix	trans	-72.4	140.5	168.3	-63.2	-169.5	146.5	0	0	111.1
145	I	48.6	Very low	46.5	Very low	125 Å²	125	131.2 Å²	131.2	64%	0.641	70%	0.704	S	S	*	*			trans	-109	113.6	-172.3	-58.7	175.7	0	0	0	110.5	F155	I145-F155 HydrophobicContact CG1-CE2 4.41Å; I145-F155 HydrophobicContact CG1-CZ 4.45Å; I145-F155 HydrophobicContact CG2-CE2 4.4Å
146	P	47.5	Very low	47.5	Very low	94 Å²	94	128.9 Å²	128.9	61%	0.61	69%	0.689	S	S	*	*			trans	-74.6	135.4	174	-17.1	32.3	0	0	0	112.5	V148	P146-V148 PolarHBondContact O-N 2.84Å
147	N	48.5	Very low	48.5	Very low	157 Å²	157	124 Å²	124	84%	0.84	66%	0.659	S	S	*	*	S	Bend	trans	-72.2	23.5	-170.6	-102.6	-14.8	0	0	0	116.8
148	V	48.5	Very low	49.4	Very low	130 Å²	130	126 Å²	126	79%	0.788	65%	0.649	S	S	*	*			trans	-106.2	87.1	-171.2	-170.8	0	0	0	0	111.9	P146 S150	P146-V148 PolarHBondContact O-N 2.84Å; V148-S150 PolarHBondContact O-N 3.37Å
149	Y	43.5	Very low	50.7	Low	225 Å²	225	121.8 Å²	121.8	88%	0.882	63%	0.626	S	S	*	*			trans	-68.1	109.1	170.9	-85.9	-93	0	0	0	111.5
150	S	47.2	Very low	52.2	Low	78 Å²	78	117.1 Å²	117.1	55%	0.545	62%	0.622	S	S	.	*			trans	-88.4	139.9	163.7	179.3	0	0	0	0	110.4	V148 F152	V148-S150 PolarHBondContact O-N 3.37Å; S150-F152 PolarHBondContact O-N 3.27Å
151	Q	49.4	Very low	53.6	Low	196 Å²	196	116.5 Å²	116.5	92%	0.916	62%	0.622	S	S	*	*	S	Bend	trans	-65.3	-8.7	179.3	-68.1	177.5	-14.4	0	0	113.9
152	F	51.2	Low	54.8	Low	165 Å²	165	112.1 Å²	112.1	72%	0.724	61%	0.607	S	S	*	*	S	Bend	trans	-110.4	94.3	167.4	-63.3	-83.4	0	0	0	108.9	S150 K154	S150-F152 PolarHBondContact O-N 3.27Å; F152-K154 PolarHBondContact O-N 3.21Å
153	G	50.1	Low	56.1	Low	41 Å²	41	108.4 Å²	108.4	42%	0.423	58%	0.584	S	S	.	*			trans	-59.9	85.3	-166.6	0	0	0	0	0	115.8	I168	G153-I168 PolarHBondContact O-N 3.5Å
154	K	52.7	Low	57.1	Low	157 Å²	157	111 Å²	111	68%	0.683	59%	0.588	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-114.2	113.5	172.8	-64.9	175.5	-176.2	178.3	0	108.5	F152 V166	F152-K154 PolarHBondContact O-N 3.21Å; K154-V166 CarbonylContact C-O 3.6Å; K154-V166 WeakPolarHBondContact CA-O 3.48Å
155	F	61.3	Low	58.2	Low	68 Å²	68	111.3 Å²	111.3	30%	0.298	58%	0.582	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-78.3	136.4	169.9	-169.8	-117.3	0	0	0	109	V143 I145 A157 R165 V166 I168	V143-F155 HydrophobicContact CG1-CE1 4.36Å; V143-F155 HydrophobicContact CG1-CZ 4.09Å; I145-F155 HydrophobicContact CG1-CE2 4.41Å; I145-F155 HydrophobicContact CG1-CZ 4.45Å; I145-F155 HydrophobicContact CG2-CE2 4.4Å; F155-A157 HydrophobicContact CD1-CB 4.03Å; F155-A157 HydrophobicContact CE1-CB 3.76Å; F155-R165 CarbonylContact O-C 3.52Å; F155-R165 VanDerWaalsContact O-CA 3.32Å; F155-R165 WeakPolarHBondContact O-CA 3.41Å; F155-V166 PolarHBondContact N-O 2.95Å; F155-V166 PolarHBondContact O-N 2.69Å; F155-I168 HydrophobicContact CB-CD1 4.05Å; F155-I168 HydrophobicContact CB-CG1 3.88Å
156	E	60.8	Low	59	Low	73 Å²	73	109.3 Å²	109.3	34%	0.341	58%	0.575	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-113.3	98.4	172.1	-170.6	169.8	145.1	0	0	109.4	S163 Y164 R165	E156-S163 WeakPolarHBondContact OE1-CB 3.21Å; E156-S163 PolarHBondContact OE1-OG 3.4Å; E156-Y164 WeakPolarHBondContact CA-O 3.41Å; E156-R165 HydrophobicContact CB-CG 4.29Å; E156-R165 HydrophobicContact CG-CG 4.09Å; E156-R165 IonicContact OE2-CZ 3.97Å; E156-R165 IonicContact OE2-NE 2.83Å; E156-R165 PolarHBondContact OE2-NE 2.84Å; E156-R165 IonicContact OE2-NH2 3.65Å; E156-R165 PolarHBondContact OE2-NH2 3.4Å
157	A	62.9	Low	59.6	Low	9 Å²	9	108.4 Å²	108.4	7%	0.074	58%	0.576	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-89.3	134.8	174.1	0	0	0	0	0	109.4	V143 F155 Y164	V143-A157 HydrophobicContact CG1-CB 4.49Å; F155-A157 HydrophobicContact CD1-CB 4.03Å; F155-A157 HydrophobicContact CE1-CB 3.76Å; A157-Y164 PolarHBondContact N-O 3.44Å; A157-Y164 PolarHBondContact O-N 2.9Å
158	R	62.5	Low	60.5	Low	172 Å²	172	105.1 Å²	105.1	65%	0.649	56%	0.557	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-102.7	114.7	173	-59.9	-167.1	72.4	-167.4	-1.7	109.8	G161 V162	R158-G161 PolarHBondContact NH2-O 3.18Å; R158-V162 WeakPolarHBondContact CA-O 3.25Å
159	I	69.7	Low	61.5	Low	77 Å²	77	105.1 Å²	105.1	40%	0.395	56%	0.557	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-126.1	126.4	179.6	-53.5	175.9	0	0	0	107.2	G161 V162 Y164	I159-G161 PolarHBondContact O-N 3.4Å; I159-G161 VanDerWaalsContact O-N 3.17Å; I159-V162 PolarHBondContact N-O 3.36Å; I159-V162 PolarHBondContact O-N 3.17Å; I159-Y164 HydrophobicContact CB-CD2 4.01Å; I159-Y164 HydrophobicContact CB-CE2 3.85Å; I159-Y164 HydrophobicContact CD1-CD2 4.4Å; I159-Y164 HydrophobicContact CG1-CD2 4.27Å
160	G	70	Confident	62.9	Low	84 Å²	84	101.8 Å²	101.8	87%	0.866	55%	0.552	S	S	*	*	T	Hydrogen-bonded Turn	trans	58	28.1	-175.4	0	0	0	0	0	114	V162	G160-V162 PolarHBondContact O-N 3.14Å
161	G	73.9	Confident	64.6	Low	51 Å²	51	106.4 Å²	106.4	53%	0.526	57%	0.567	S	S	.	*	T	Hydrogen-bonded Turn	trans	81	-17.8	-174.5	0	0	0	0	0	115.5	R158 I159	R158-G161 PolarHBondContact NH2-O 3.18Å; I159-G161 PolarHBondContact O-N 3.4Å; I159-G161 VanDerWaalsContact O-N 3.17Å
162	V	68.5	Low	66.4	Low	82 Å²	82	102.4 Å²	102.4	50%	0.497	56%	0.558	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-79.1	131.8	178.3	179	0	0	0	0	110.5	R158 I159 G160 Y164	R158-V162 WeakPolarHBondContact CA-O 3.25Å; I159-V162 PolarHBondContact N-O 3.36Å; I159-V162 PolarHBondContact O-N 3.17Å; G160-V162 PolarHBondContact O-N 3.14Å; V162-Y164 HydrophobicContact CB-CD2 4.4Å; V162-Y164 HydrophobicContact CB-CE2 3.8Å; V162-Y164 HydrophobicContact CG1-CD2 4.23Å; V162-Y164 HydrophobicContact CG1-CE2 3.8Å; V162-Y164 WeakPolarHBondContact O-CD2 3.39Å; V162-Y164 PolarHBondContact O-N 2.9Å
163	S	71	Confident	68.1	Low	51 Å²	51	102.8 Å²	102.8	36%	0.357	56%	0.562	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-83.2	107	174	-76	0	0	0	0	111.7	E156	E156-S163 WeakPolarHBondContact OE1-CB 3.21Å; E156-S163 PolarHBondContact OE1-OG 3.4Å
164	Y	67.3	Low	70	Confident	118 Å²	118	106.9 Å²	106.9	46%	0.463	58%	0.578	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-88.9	117	172.1	-68	-93.8	0	0	0	110.1	E156 A157 I159 V162	E156-Y164 WeakPolarHBondContact CA-O 3.41Å; A157-Y164 PolarHBondContact N-O 3.44Å; A157-Y164 PolarHBondContact O-N 2.9Å; I159-Y164 HydrophobicContact CB-CD2 4.01Å; I159-Y164 HydrophobicContact CB-CE2 3.85Å; I159-Y164 HydrophobicContact CD1-CD2 4.4Å; I159-Y164 HydrophobicContact CG1-CD2 4.27Å; V162-Y164 HydrophobicContact CB-CD2 4.4Å; V162-Y164 HydrophobicContact CB-CE2 3.8Å; V162-Y164 HydrophobicContact CG1-CD2 4.23Å; V162-Y164 HydrophobicContact CG1-CE2 3.8Å; V162-Y164 WeakPolarHBondContact O-CD2 3.39Å; V162-Y164 PolarHBondContact O-N 2.9Å
165	R	66.6	Low	71.7	Confident	184 Å²	184	105.1 Å²	105.1	69%	0.694	58%	0.577	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-95.3	106.4	174.2	-73.8	-177.6	173.3	165.2	2.7	110.7	F155 E156	F155-R165 CarbonylContact O-C 3.52Å; F155-R165 VanDerWaalsContact O-CA 3.32Å; F155-R165 WeakPolarHBondContact O-CA 3.41Å; E156-R165 HydrophobicContact CB-CG 4.29Å; E156-R165 HydrophobicContact CG-CG 4.09Å; E156-R165 IonicContact OE2-CZ 3.97Å; E156-R165 IonicContact OE2-NE 2.83Å; E156-R165 PolarHBondContact OE2-NE 2.84Å; E156-R165 IonicContact OE2-NH2 3.65Å; E156-R165 PolarHBondContact OE2-NH2 3.4Å
166	V	65.3	Low	73	Confident	84 Å²	84	107.6 Å²	107.6	51%	0.509	60%	0.6	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-109.2	138.6	-178.7	-172.7	0	0	0	0	109.3	K154 F155	K154-V166 CarbonylContact C-O 3.6Å; K154-V166 WeakPolarHBondContact CA-O 3.48Å; F155-V166 PolarHBondContact N-O 2.95Å; F155-V166 PolarHBondContact O-N 2.69Å
167	A	61.6	Low	74.5	Confident	75 Å²	75	109.1 Å²	109.1	62%	0.62	61%	0.614	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-74.8	135.1	174	0	0	0	0	0	110.4	T169	A167-T169 PolarHBondContact O-N 2.88Å
168	I	67	Low	75.8	Confident	87 Å²	87	110.3 Å²	110.3	45%	0.446	62%	0.621	S	S	.	*			trans	-86.4	110.3	174.9	-55.1	176.8	0	0	0	108.7	G153 F155 M170	G153-I168 PolarHBondContact O-N 3.5Å; F155-I168 HydrophobicContact CB-CD1 4.05Å; F155-I168 HydrophobicContact CB-CG1 3.88Å; I168-M170 HydrophobicContact CG2-SD 3.99Å; I168-M170 PolarHBondContact O-N 2.97Å
169	T	69.8	Low	77	Confident	130 Å²	130	107.8 Å²	107.8	80%	0.798	63%	0.629	S	S	*	*			trans	-79.8	107.4	167.4	-57.1	0	0	0	0	108.9	A167	A167-T169 PolarHBondContact O-N 2.88Å
170	M	72.8	Confident	77.9	Confident	156 Å²	156	107.9 Å²	107.9	77%	0.768	63%	0.633	S	S	*	*	P	Polyproline II helix	trans	-68.6	131.3	173.3	-62.6	-60.8	-68.2	0	0	110	I168	I168-M170 HydrophobicContact CG2-SD 3.99Å; I168-M170 PolarHBondContact O-N 2.97Å
171	M	83.1	Confident	78.7	Confident	174 Å²	174	109 Å²	109	86%	0.857	63%	0.627	S	S	*	*	P	Polyproline II helix	trans	-69.2	143	168.5	-64.7	-173.4	-67.1	0	0	109.6
172	P	85.8	Confident	79.5	Confident	113 Å²	113	115.6 Å²	115.6	73%	0.734	65%	0.646	S	S	*	*	P	Polyproline II helix	trans	-64.2	148	174.5	28.4	-34.7	0	0	0	110.7
173	Q	87.1	Confident	80.7	Confident	172 Å²	172	114 Å²	114	80%	0.804	63%	0.631	S	S	*	*	P	Polyproline II helix	trans	-62.9	137.1	172.5	179.2	176.7	-36.9	0	0	110.1	D175	Q173-D175 PolarHBondContact NE2-OD1 2.96Å; Q173-D175 VanDerWaalsContact NE2-OD1 3.08Å
174	V	90.9	Very high	81.8	Confident	127 Å²	127	113.7 Å²	113.7	77%	0.77	63%	0.632	S	S	*	*			trans	-125.3	127.8	171	-179.9	0	0	0	0	106.8
175	D	88.2	Confident	83.1	Confident	120 Å²	120	112.4 Å²	112.4	64%	0.642	64%	0.638	S	S	*	*	P	Polyproline II helix	trans	-72.7	133	-175.7	-61.1	-41.3	0	0	0	111.1	Q173	Q173-D175 PolarHBondContact NE2-OD1 2.96Å; Q173-D175 VanDerWaalsContact NE2-OD1 3.08Å
176	P	89.3	Confident	84.4	Confident	121 Å²	121	104.6 Å²	104.6	79%	0.786	61%	0.611	S	S	*	*	P	Polyproline II helix	trans	-75.4	136	-175.4	30	-34.7	0	0	0	111.8
177	V	90.7	Very high	85.6	Confident	105 Å²	105	105.2 Å²	105.2	64%	0.636	61%	0.608	S	S	*	*	P	Polyproline II helix	trans	-80.4	140.6	171.9	177.9	0	0	0	0	109.5	W885	V177-W885 HydrophobicContact CG1-CH2 3.78Å; V177-W885 HydrophobicContact CG1-CZ2 3.29Å
178	P	90.8	Very high	87.1	Confident	34 Å²	34	106.1 Å²	106.1	22%	0.221	60%	0.599	C	S	.	*	P	Polyproline II helix	trans	-59.5	144.6	-180	-22.3	32.5	0	0	0	113.2	P879 G884 W885	P178-P879 HydrophobicContact CG-CB 4.11Å; P178-P879 HydrophobicContact CG-CG 4.24Å; P178-G884 WeakPolarHBondContact CG-O 3.48Å; P178-W885 HydrophobicContact CB-CG 4.4Å; P178-W885 PolarHBondContact O-NE1 2.84Å
179	S	88.1	Confident	88.3	Confident	118 Å²	118	102.5 Å²	102.5	83%	0.825	58%	0.581	S	S	*	*	P	Polyproline II helix	trans	-63.2	140.1	-177.9	50.7	0	0	0	0	112.4
180	V	88	Confident	89.4	Confident	79 Å²	79	100 Å²	100	48%	0.479	56%	0.559	S	S	.	*			trans	-151	133.7	176.6	63.2	0	0	0	0	110.3	F947	V180-F947 HydrophobicContact CG2-CE1 4.2Å; V180-F947 HydrophobicContact CG2-CZ 4.28Å
181	C	87.1	Confident	90.3	Very high	109 Å²	109	93.7 Å²	93.7	74%	0.736	53%	0.531	S	S	*	.			trans	-79.8	149.1	171.4	-64.2	0	0	0	0	110.6	W183	C181-W183 PolarHBondContact O-N 3.47Å
182	M	90.8	Very high	90.7	Very high	188 Å²	188	87 Å²	87	93%	0.926	50%	0.499	S	S	*	.			trans	-62.8	134.6	174.9	-173.1	-178.4	-67.7	0	0	110.7
183	W	93	Very high	90.7	Very high	48 Å²	48	87.1 Å²	87.1	18%	0.182	49%	0.49	C	S	.	.			trans	-137.6	149.7	179.2	60.3	-79.3	0	0	0	110.7	C181 P185 R940 G942 F947	C181-W183 PolarHBondContact O-N 3.47Å; W183-P185 HydrophobicContact CH2-CB 4.42Å; W183-P185 HydrophobicContact CZ3-CB 3.89Å; W183-R940 WeakPolarHBondContact CA-O 3.26Å; W183-G942 WeakPolarHBondContact CZ3-O 3.09Å; W183-F947 AromaticContact CZ2-CE2 3.75Å; W183-F947 HydrophobicContact CZ2-CE2 3.75Å; W183-F947 HydrophobicContact CZ2-CZ 4.24Å; W183-F947 AromaticContact NE1-CZ 3.68Å
184	A	95	Very high	90.7	Very high	46 Å²	46	80.9 Å²	80.9	38%	0.38	46%	0.462	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	130.8	176	0	0	0	0	0	111.3	R940 K941 G942	A184-R940 PolarHBondContact N-O 2.71Å; A184-K941 HydrophobicContact CB-CG 4.19Å; A184-K941 WeakPolarHBondContact O-CA 3.49Å; A184-G942 PolarHBondContact O-N 2.57Å
185	P	94.8	Very high	90.4	Very high	90 Å²	90	77.3 Å²	77.3	58%	0.584	44%	0.437	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.7	126.6	178.5	29.4	-33.8	0	0	0	112.1	W183 G942	W183-P185 HydrophobicContact CH2-CB 4.42Å; W183-P185 HydrophobicContact CZ3-CB 3.89Å; P185-G942 CarbonylContact C-O 3.42Å; P185-G942 WeakPolarHBondContact CA-O 3.14Å
186	V	93.3	Very high	89.8	Confident	20 Å²	20	76.4 Å²	76.4	12%	0.121	44%	0.436	C	S	.	.			trans	-119.2	146.6	176.8	-65	0	0	0	0	112.2	H188 C903 K941 G942 N943	V186-H188 WeakPolarHBondContact CB-O 3.42Å; V186-C903 HydrophobicContact CG2-CB 3.9Å; V186-K941 HydrophobicContact CG1-CB 3.91Å; V186-K941 HydrophobicContact CG1-CD 4.2Å; V186-G942 WeakPolarHBondContact CG2-O 3.39Å; V186-G942 PolarHBondContact N-O 3.42Å; V186-N943 WeakPolarHBondContact O-CB 3.3Å
187	Q	91.5	Very high	89.1	Confident	98 Å²	98	73.8 Å²	73.8	46%	0.458	41%	0.413	S	S	.	.	S	Bend	trans	-95.8	-21	179.2	-55.2	-56.7	-39.2	0	0	112.6
188	H	91.5	Very high	88.5	Confident	94 Å²	94	69.2 Å²	69.2	44%	0.435	39%	0.385	S	S	.	.	S	Bend	trans	-141.4	167.7	174.3	-56.9	-47.1	0	0	0	108.4	V186 E901 R968	V186-H188 WeakPolarHBondContact CB-O 3.42Å; H188-E901 IonicContact ND1-OE2 2.76Å; H188-R968 PolarHBondContact ND1-NH1 3.34Å
189	N	93.8	Very high	88	Confident	11 Å²	11	69.9 Å²	69.9	6%	0.059	39%	0.394	C	S	.	.			trans	-57.4	153	171.8	-76.1	-20	0	0	0	113.5	L520 C903 G904 I906	N189-L520 HydrophobicContact CB-CD1 3.98Å; N189-C903 VanDerWaalsContact OD1-CA 3.23Å; N189-C903 WeakPolarHBondContact OD1-CA 3.31Å; N189-G904 WeakPolarHBondContact CA-O 3.35Å; N189-G904 PolarHBondContact OD1-N 3.46Å; N189-G904 PolarHBondContact OD1-O 2.76Å; N189-I906 HydrophobicContact CB-CD1 3.74Å; N189-I906 HydrophobicContact CB-CG1 3.7Å
190	F	91.9	Very high	87.6	Confident	77 Å²	77	68.7 Å²	68.7	34%	0.338	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	113.7	-178.4	-175	-76	0	0	0	110	V192 A519 G904 E905 I906 K941	F190-V192 HydrophobicContact CD1-CG2 3.7Å; F190-V192 HydrophobicContact CE1-CG2 4Å; F190-A519 CarbonylContact C-O 3.58Å; F190-A519 WeakPolarHBondContact CA-O 3.23Å; F190-A519 HydrophobicContact CD2-CB 3.79Å; F190-A519 HydrophobicContact CE1-CB 4.33Å; F190-A519 HydrophobicContact CE2-CB 3.47Å; F190-A519 VanDerWaalsContact CE2-CB 3.47Å; F190-A519 HydrophobicContact CG-CB 4.36Å; F190-A519 HydrophobicContact CZ-CB 3.76Å; F190-G904 PolarHBondContact N-O 3.21Å; F190-E905 CarbonylContact O-C 3.57Å; F190-E905 WeakPolarHBondContact O-CA 3.49Å; F190-I906 PolarHBondContact O-N 3.2Å; F190-K941 HydrophobicContact CB-CD 4.42Å; F190-K941 HydrophobicContact CD1-CD 4.28Å; F190-K941 HydrophobicContact CG-CD 4.16Å
191	S	92.1	Very high	87.1	Confident	24 Å²	24	67.9 Å²	67.9	17%	0.168	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	137.5	177.6	-156.7	0	0	0	0	111.1	A519	S191-A519 PolarHBondContact N-O 2.99Å
192	V	91	Very high	86.7	Confident	32 Å²	32	64.6 Å²	64.6	19%	0.194	35%	0.348	C	S	.	.			trans	-125.7	144.7	176.2	-177.4	0	0	0	0	108.8	F190 E905 I906 I907	F190-V192 HydrophobicContact CD1-CG2 3.7Å; F190-V192 HydrophobicContact CE1-CG2 4Å; V192-E905 HydrophobicContact CG2-CB 3.83Å; V192-E905 HydrophobicContact CG2-CG 3.92Å; V192-I906 PolarHBondContact N-O 2.91Å; V192-I907 HydrophobicContact CB-CG2 4.28Å
193	E	87.1	Confident	86.2	Confident	117 Å²	117	63.5 Å²	63.5	55%	0.547	34%	0.335	S	S	.	.			trans	-84.1	146.6	171.9	-67	177.8	-174.7	0	0	110.2
194	D	87.2	Confident	85.2	Confident	41 Å²	41	63 Å²	63	22%	0.219	34%	0.335	C	S	.	.			trans	-61.2	134.3	-175.3	-72.9	38.4	0	0	0	113	T196 S908 E911 R914	D194-T196 PolarHBondContact O-N 2.98Å; D194-T196 VanDerWaalsContact O-N 3.15Å; D194-S908 VanDerWaalsContact CG-OG 3.27Å; D194-S908 WeakPolarHBondContact OD1-CB 3.39Å; D194-S908 PolarHBondContact OD1-OG 3.19Å; D194-S908 WeakPolarHBondContact OD2-CB 3.28Å; D194-S908 PolarHBondContact OD2-OG 3.1Å; D194-E911 WeakPolarHBondContact CA-OE2 3.49Å; D194-R914 IonicContact OD2-CZ 2.89Å; D194-R914 IonicContact OD2-NH2 2.67Å; D194-R914 PolarHBondContact OD2-NH2 3.44Å
195	E	82.7	Confident	84	Confident	51 Å²	51	61.9 Å²	61.9	24%	0.238	33%	0.327	C	S	.	.			trans	-77.4	102.6	178.8	-67.2	-172.8	158.2	0	0	110.1	Y223 E911 R914 R940	E195-Y223 HydrophobicContact CB-CE1 4.14Å; E195-Y223 VanDerWaalsContact O-CD1 3.26Å; E195-Y223 WeakPolarHBondContact O-CD1 3.37Å; E195-Y223 WeakPolarHBondContact O-CE1 3.32Å; E195-E911 PolarHBondContact N-OE2 3.4Å; E195-R914 PolarHBondContact O-NH1 3.15Å; E195-R940 VanDerWaalsContact CD-NH2 3.33Å; E195-R940 IonicContact OE1-CZ 3.36Å; E195-R940 IonicContact OE1-NH1 2.8Å; E195-R940 PolarHBondContact OE1-NH1 3.4Å; E195-R940 IonicContact OE1-NH2 3.76Å; E195-R940 PolarHBondContact OE1-NH2 3.36Å; E195-R940 IonicContact OE2-CZ 2.7Å; E195-R940 IonicContact OE2-NH1 3.22Å; E195-R940 IonicContact OE2-NH2 2.71Å; E195-R940 PolarHBondContact OE2-NH2 3.41Å
196	T	76.2	Confident	83	Confident	102 Å²	102	62.9 Å²	62.9	63%	0.626	33%	0.328	S	S	*	.	S	Bend	trans	-83.2	-17.6	-178.5	56	0	0	0	0	114.4	D194	D194-T196 PolarHBondContact O-N 2.98Å; D194-T196 VanDerWaalsContact O-N 3.15Å
197	E	74.7	Confident	81.9	Confident	66 Å²	66	68.4 Å²	68.4	31%	0.308	36%	0.356	S	S	.	.	S	Bend	trans	-126.3	130	172.2	-49	-165.6	147.5	0	0	109.6	A199 H226 R454	E197-A199 PolarHBondContact O-N 3.5Å; E197-H226 HydrophobicContact CB-CB 3.94Å; E197-H226 HydrophobicContact CG-CB 3.76Å; E197-R454 IonicContact OE1-CZ 2.67Å; E197-R454 IonicContact OE1-NH2 2.74Å; E197-R454 PolarHBondContact OE1-NH2 3.11Å; E197-R454 IonicContact OE2-NH2 3.33Å; E197-R454 PolarHBondContact OE2-NH2 3Å
198	L	78.5	Confident	80.7	Confident	9 Å²	9	68.1 Å²	68.1	5%	0.047	36%	0.355	C	S	.	.	B	Isolated β-bridge	trans	-69.4	118.9	-179.7	178.1	61.7	0	0	0	110.6	N200 L201 L219 Y223 H226 L227 H228	L198-N200 WeakPolarHBondContact CG-O 3.42Å; L198-N200 PolarHBondContact O-N 3.38Å; L198-L201 HydrophobicContact CD2-CD2 3.95Å; L198-L219 HydrophobicContact CD2-CD2 4.05Å; L198-L219 HydrophobicContact CD2-CG 4.08Å; L198-Y223 HydrophobicContact CB-CD1 3.97Å; L198-Y223 HydrophobicContact CB-CD2 4.03Å; L198-Y223 HydrophobicContact CB-CE1 4.19Å; L198-Y223 HydrophobicContact CB-CE2 4.27Å; L198-Y223 HydrophobicContact CB-CG 3.89Å; L198-Y223 HydrophobicContact CD1-CE1 4.42Å; L198-Y223 HydrophobicContact CD1-CE2 3.98Å; L198-H226 PolarHBondContact N-O 3.41Å; L198-L227 HydrophobicContact CB-CD1 4.12Å; L198-L227 HydrophobicContact CD2-CD1 4.04Å; L198-L227 HydrophobicContact CG-CD1 4.03Å; L198-L227 CarbonylContact O-C 3.49Å; L198-L227 WeakPolarHBondContact O-CA 3.44Å; L198-L227 WeakPolarHBondContact O-CD1 3.27Å; L198-H228 PolarHBondContact O-N 3.05Å
199	A	79.2	Confident	79.3	Confident	48 Å²	48	64.9 Å²	64.9	40%	0.397	34%	0.344	S	S	.	.	S	Bend	trans	-65.9	-37.2	-172.4	0	0	0	0	0	114.5	E197	E197-A199 PolarHBondContact O-N 3.5Å
200	N	79.5	Confident	77.8	Confident	93 Å²	93	71.7 Å²	71.7	50%	0.497	38%	0.376	S	S	.	.	S	Bend	trans	-153	151.8	172.5	-71.3	-83.3	0	0	0	109.5	K9 L198	K9-N200 PolarHBondContact NZ-OD1 2.71Å; L198-N200 WeakPolarHBondContact CG-O 3.42Å; L198-N200 PolarHBondContact O-N 3.38Å
201	L	78.9	Confident	76.6	Confident	61 Å²	61	75.7 Å²	75.7	32%	0.319	40%	0.396	S	S	.	.	P	Polyproline II helix	trans	-71.5	132.4	165.6	-67.4	170.2	0	0	0	109.6	L198 L227	L198-L201 HydrophobicContact CD2-CD2 3.95Å; L201-L227 HydrophobicContact CD1-CD2 4.3Å; L201-L227 HydrophobicContact CD2-CD1 4.09Å; L201-L227 HydrophobicContact CG-CD1 3.85Å; L201-L227 HydrophobicContact CG-CD2 4.27Å
202	P	78.9	Confident	75.7	Confident	40 Å²	40	75.7 Å²	75.7	26%	0.26	39%	0.394	S	S	.	.	P	Polyproline II helix	trans	-63	134	171	-20.6	32.7	0	0	0	111.3	M204 L219 I918	P202-M204 HydrophobicContact CB-CE 4.03Å; P202-L219 HydrophobicContact CG-CD2 4.06Å; P202-I918 HydrophobicContact CG-CD1 4.49Å; P202-I918 HydrophobicContact CG-CG2 4.37Å
203	Y	79.2	Confident	75	Confident	166 Å²	166	77.9 Å²	77.9	65%	0.651	41%	0.407	S	S	*	.	P	Polyproline II helix	trans	-95.1	125.1	172.8	175.6	-105.2	0	0	0	109.9	G205 D206	Y203-G205 VanDerWaalsContact CZ-CA 3.46Å; Y203-G205 WeakPolarHBondContact OH-CA 3.3Å; Y203-D206 PolarHBondContact OH-N 3.34Å; Y203-D206 PolarHBondContact OH-OD2 2.94Å
204	M	72.5	Confident	74.7	Confident	38 Å²	38	78.4 Å²	78.4	19%	0.187	41%	0.414	C	S	.	.			trans	-112.9	7.8	-174.4	-59	-174.3	177.3	0	0	113.2	P202 Q208 F215 K921	P202-M204 HydrophobicContact CB-CE 4.03Å; M204-Q208 HydrophobicContact CB-CB 4.12Å; M204-Q208 PolarHBondContact O-OE1 2.67Å; M204-F215 HydrophobicContact CE-CD1 4.03Å; M204-F215 HydrophobicContact CE-CE1 3.35Å; M204-F215 HydrophobicContact CE-CZ 3.85Å; M204-F215 HydrophobicContact SD-CD1 4.44Å; M204-F215 HydrophobicContact SD-CE1 4.31Å; M204-K921 HydrophobicContact CE-CB 4.49Å; M204-K921 HydrophobicContact CE-CG 3.63Å; M204-K921 HydrophobicContact SD-CD 4.35Å; M204-K921 VanDerWaalsContact SD-CE 3.57Å; M204-K921 HydrophobicContact SD-CG 3.77Å
205	G	70.3	Confident	74.5	Confident	21 Å²	21	77.9 Å²	77.9	22%	0.216	41%	0.41	C	S	.	.			trans	95	144.1	-167.1	0	0	0	0	0	111.9	Y203 D207 Q208 A209	Y203-G205 VanDerWaalsContact CZ-CA 3.46Å; Y203-G205 WeakPolarHBondContact OH-CA 3.3Å; G205-D207 PolarHBondContact O-N 3.37Å; G205-Q208 PolarHBondContact O-N 3.44Å; G205-A209 WeakPolarHBondContact O-CB 3.5Å; G205-A209 PolarHBondContact O-N 2.68Å
206	D	73.7	Confident	74.4	Confident	111 Å²	111	77 Å²	77	59%	0.594	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-29.9	-177.7	-69.1	-41.1	0	0	0	113.7	Y203 Q210	Y203-D206 PolarHBondContact OH-N 3.34Å; Y203-D206 PolarHBondContact OH-OD2 2.94Å; D206-Q210 PolarHBondContact O-NE2 3.47Å
207	D	69.7	Low	74.6	Confident	136 Å²	136	77.6 Å²	77.6	73%	0.727	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.9	-52.5	176.9	-60.2	-48.9	0	0	0	111.1	G205 A209 Q210	G205-D207 PolarHBondContact O-N 3.37Å; D207-A209 VanDerWaalsContact C-N 3.31Å; D207-A209 PolarHBondContact O-N 3.14Å; D207-Q210 PolarHBondContact O-N 3.4Å
208	Q	65.3	Low	75	Confident	93 Å²	93	79 Å²	79	44%	0.435	41%	0.408	S	S	.	.	H	α-helix	trans	-65.1	-34.2	178.8	-64.5	-170.4	5.9	0	0	112	M204 G205 Q210 E211 D212	M204-Q208 HydrophobicContact CB-CB 4.12Å; M204-Q208 PolarHBondContact O-OE1 2.67Å; G205-Q208 PolarHBondContact O-N 3.44Å; Q208-Q210 PolarHBondContact O-N 3.36Å; Q208-E211 PolarHBondContact O-N 3Å; Q208-D212 WeakPolarHBondContact O-CB 3.49Å; Q208-D212 PolarHBondContact O-N 2.65Å
209	A	62.7	Low	75.2	Confident	25 Å²	25	78.6 Å²	78.6	21%	0.207	41%	0.406	C	S	.	.	H	α-helix	trans	-60.3	-19.2	179.1	0	0	0	0	0	114.3	G205 D207	G205-A209 WeakPolarHBondContact O-CB 3.5Å; G205-A209 PolarHBondContact O-N 2.68Å; D207-A209 VanDerWaalsContact C-N 3.31Å; D207-A209 PolarHBondContact O-N 3.14Å
210	Q	62.6	Low	75.2	Confident	155 Å²	155	78.6 Å²	78.6	72%	0.724	40%	0.4	S	S	*	.	H	α-helix	trans	-85.7	-27.8	173.2	-68.9	177.8	62.3	0	0	113	D206 D207 Q208	D206-Q210 PolarHBondContact O-NE2 3.47Å; D207-Q210 PolarHBondContact O-N 3.4Å; Q208-Q210 PolarHBondContact O-N 3.36Å
211	E	67.5	Low	75.4	Confident	160 Å²	160	78.8 Å²	78.8	75%	0.748	40%	0.401	S	S	*	.	H	α-helix	trans	-81.3	-38.6	175.5	-56.7	-170.8	150.5	0	0	111.1	Q208 V213	Q208-E211 PolarHBondContact O-N 3Å; E211-V213 VanDerWaalsContact C-N 3.34Å; E211-V213 PolarHBondContact O-N 2.9Å
212	D	72.3	Confident	75.5	Confident	24 Å²	24	78.4 Å²	78.4	13%	0.128	40%	0.399	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.1	18.8	-173	-73.4	-58	0	0	0	115.3	Q208 N214 F215 L216 K921	Q208-D212 WeakPolarHBondContact O-CB 3.49Å; Q208-D212 PolarHBondContact O-N 2.65Å; D212-N214 PolarHBondContact O-N 3.34Å; D212-F215 HydrophobicContact CB-CB 4.2Å; D212-F215 WeakPolarHBondContact O-CA 3.47Å; D212-F215 WeakPolarHBondContact O-CB 3.45Å; D212-F215 PolarHBondContact O-N 2.99Å; D212-L216 PolarHBondContact O-N 3.22Å; D212-K921 WeakPolarHBondContact OD1-CE 3.14Å; D212-K921 IonicContact OD1-NZ 3.55Å; D212-K921 PolarHBondContact OD1-NZ 2.85Å; D212-K921 WeakPolarHBondContact OD2-CE 3.4Å; D212-K921 IonicContact OD2-NZ 2.74Å; D212-K921 PolarHBondContact OD2-NZ 2.88Å
213	V	76.8	Confident	75.5	Confident	79 Å²	79	76.8 Å²	76.8	48%	0.479	39%	0.388	S	S	.	.	H	α-helix	trans	-55.6	-39	177.6	178.5	0	0	0	0	111.6	E211 L216 E217	E211-V213 VanDerWaalsContact C-N 3.34Å; E211-V213 PolarHBondContact O-N 2.9Å; V213-L216 PolarHBondContact O-N 3.35Å; V213-E217 PolarHBondContact O-N 3.44Å
214	N	81.4	Confident	75.2	Confident	128 Å²	128	75.2 Å²	75.2	68%	0.684	39%	0.391	S	S	*	.	H	α-helix	trans	-64.9	-39.9	176.1	-65.9	-16.7	0	0	0	112.2	D212 E217 E218	D212-N214 PolarHBondContact O-N 3.34Å; N214-E217 PolarHBondContact O-N 2.96Å; N214-E218 WeakPolarHBondContact O-CB 3.28Å; N214-E218 PolarHBondContact O-N 3.12Å
215	F	81.5	Confident	75	Confident	30 Å²	30	74.8 Å²	74.8	13%	0.132	40%	0.396	C	S	.	.	H	α-helix	trans	-65.8	-40.1	175.6	165.6	-89.9	0	0	0	111	M204 D212 E218 L219 K917 K921	M204-F215 HydrophobicContact CE-CD1 4.03Å; M204-F215 HydrophobicContact CE-CE1 3.35Å; M204-F215 HydrophobicContact CE-CZ 3.85Å; M204-F215 HydrophobicContact SD-CD1 4.44Å; M204-F215 HydrophobicContact SD-CE1 4.31Å; D212-F215 HydrophobicContact CB-CB 4.2Å; D212-F215 WeakPolarHBondContact O-CA 3.47Å; D212-F215 WeakPolarHBondContact O-CB 3.45Å; D212-F215 PolarHBondContact O-N 2.99Å; F215-E218 PolarHBondContact O-N 3.4Å; F215-L219 HydrophobicContact CE1-CB 4.41Å; F215-L219 HydrophobicContact CE1-CD2 3.95Å; F215-L219 HydrophobicContact CZ-CB 4.43Å; F215-L219 HydrophobicContact CZ-CD2 4.09Å; F215-L219 WeakPolarHBondContact O-CB 3.48Å; F215-L219 PolarHBondContact O-N 3.22Å; F215-K917 WeakPolarHBondContact CE2-O 3.31Å; F215-K921 HydrophobicContact CE2-CB 4.07Å; F215-K921 HydrophobicContact CE2-CG 4.34Å; F215-K921 HydrophobicContact CZ-CB 4.33Å; F215-K921 HydrophobicContact CZ-CG 4.4Å
216	L	80.7	Confident	75	Confident	33 Å²	33	76.1 Å²	76.1	17%	0.173	40%	0.396	C	S	.	.	H	α-helix	trans	-67.9	-36.8	177.5	-67.8	172.6	0	0	0	112.4	D212 V213 L220	D212-L216 PolarHBondContact O-N 3.22Å; V213-L216 PolarHBondContact O-N 3.35Å; L216-L220 VanDerWaalsContact O-CB 3.3Å; L216-L220 WeakPolarHBondContact O-CB 3.2Å; L216-L220 PolarHBondContact O-N 3.3Å; L216-L220 VanDerWaalsContact O-N 3.08Å
217	E	81.2	Confident	75.1	Confident	114 Å²	114	72 Å²	72	53%	0.533	37%	0.374	S	S	.	.	H	α-helix	trans	-68.6	-44.7	172.4	-176.8	165.1	-165.2	0	0	111.5	V213 N214 L220 N221	V213-E217 PolarHBondContact O-N 3.44Å; N214-E217 PolarHBondContact O-N 2.96Å; E217-L220 PolarHBondContact O-N 3.44Å; E217-N221 WeakPolarHBondContact O-CB 3.33Å; E217-N221 PolarHBondContact O-N 3.24Å; E217-N221 PolarHBondContact O-ND2 3.03Å
218	E	82.6	Confident	75.1	Confident	94 Å²	94	71.6 Å²	71.6	44%	0.439	37%	0.368	S	S	.	.	H	α-helix	trans	-60.6	-48.2	174.7	-168.5	-171.6	153.1	0	0	111.6	N214 F215 L220 N221 N222 K917	N214-E218 WeakPolarHBondContact O-CB 3.28Å; N214-E218 PolarHBondContact O-N 3.12Å; F215-E218 PolarHBondContact O-N 3.4Å; E218-L220 VanDerWaalsContact C-N 3.33Å; E218-L220 PolarHBondContact O-N 2.81Å; E218-N221 WeakPolarHBondContact O-CB 3.39Å; E218-N221 PolarHBondContact O-N 2.84Å; E218-N221 VanDerWaalsContact O-N 3.12Å; E218-N222 VanDerWaalsContact O-CG 3.28Å; E218-N222 PolarHBondContact O-N 3.14Å; E218-N222 PolarHBondContact O-ND2 3.19Å; E218-K917 WeakPolarHBondContact OE1-CE 3.29Å; E218-K917 IonicContact OE1-NZ 2.79Å; E218-K917 PolarHBondContact OE1-NZ 3.06Å
219	L	82.7	Confident	75	Confident	1 Å²	1	70.4 Å²	70.4	1%	0.005	38%	0.38	C	S	.	.	H	α-helix	trans	-54.6	-49.6	177.6	179.6	61.8	0	0	0	110.7	L198 P202 F215 N221 N222 Y223 I918	L198-L219 HydrophobicContact CD2-CD2 4.05Å; L198-L219 HydrophobicContact CD2-CG 4.08Å; P202-L219 HydrophobicContact CG-CD2 4.06Å; F215-L219 HydrophobicContact CE1-CB 4.41Å; F215-L219 HydrophobicContact CE1-CD2 3.95Å; F215-L219 HydrophobicContact CZ-CB 4.43Å; F215-L219 HydrophobicContact CZ-CD2 4.09Å; F215-L219 WeakPolarHBondContact O-CB 3.48Å; F215-L219 PolarHBondContact O-N 3.22Å; L219-N221 VanDerWaalsContact C-N 3.32Å; L219-N221 PolarHBondContact O-N 3.16Å; L219-N222 WeakPolarHBondContact CA-ND2 3.46Å; L219-N222 PolarHBondContact O-N 2.67Å; L219-Y223 HydrophobicContact CD1-CE2 4.04Å; L219-Y223 WeakPolarHBondContact O-CD2 3.49Å; L219-I918 HydrophobicContact CD1-CD1 4.05Å; L219-I918 HydrophobicContact CD1-CG1 3.87Å
220	L	80.2	Confident	75.2	Confident	48 Å²	48	71.4 Å²	71.4	25%	0.251	38%	0.382	S	S	.	.	H	α-helix	trans	-65.2	-33.8	179.2	-176.6	60.2	0	0	0	112.7	L216 E217 E218 Y223 G225 L227	L216-L220 VanDerWaalsContact O-CB 3.3Å; L216-L220 WeakPolarHBondContact O-CB 3.2Å; L216-L220 PolarHBondContact O-N 3.3Å; L216-L220 VanDerWaalsContact O-N 3.08Å; E217-L220 PolarHBondContact O-N 3.44Å; E218-L220 VanDerWaalsContact C-N 3.33Å; E218-L220 PolarHBondContact O-N 2.81Å; L220-Y223 PolarHBondContact O-N 2.99Å; L220-G225 WeakPolarHBondContact O-CA 3.38Å; L220-G225 PolarHBondContact O-N 3.36Å; L220-L227 HydrophobicContact CD1-CB 4.3Å
221	N	82.7	Confident	75.4	Confident	98 Å²	98	65.9 Å²	65.9	52%	0.524	36%	0.356	S	S	.	.	H	α-helix	trans	-67	-33.5	174.5	-73.1	-34.8	0	0	0	112.5	E217 E218 L219 Y223 D224	E217-N221 WeakPolarHBondContact O-CB 3.33Å; E217-N221 PolarHBondContact O-N 3.24Å; E217-N221 PolarHBondContact O-ND2 3.03Å; E218-N221 WeakPolarHBondContact O-CB 3.39Å; E218-N221 PolarHBondContact O-N 2.84Å; E218-N221 VanDerWaalsContact O-N 3.12Å; L219-N221 VanDerWaalsContact C-N 3.32Å; L219-N221 PolarHBondContact O-N 3.16Å; N221-Y223 PolarHBondContact O-N 3.42Å; N221-D224 PolarHBondContact O-N 3.15Å; N221-D224 VanDerWaalsContact O-N 3.13Å
222	N	81.6	Confident	75.2	Confident	52 Å²	52	60.6 Å²	60.6	28%	0.278	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67	-14.4	176	-53.1	-60.3	0	0	0	113.5	E218 L219 R914 K917	E218-N222 VanDerWaalsContact O-CG 3.28Å; E218-N222 PolarHBondContact O-N 3.14Å; E218-N222 PolarHBondContact O-ND2 3.19Å; L219-N222 WeakPolarHBondContact CA-ND2 3.46Å; L219-N222 PolarHBondContact O-N 2.67Å; N222-R914 HydrophobicContact CB-CG 3.92Å; N222-R914 WeakPolarHBondContact O-CD 3.4Å; N222-K917 WeakPolarHBondContact ND2-CD 3.43Å; N222-K917 PolarHBondContact OD1-NZ 3.4Å
223	Y	77.8	Confident	75.1	Confident	7 Å²	7	60.1 Å²	60.1	3%	0.027	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109	23.3	174.7	-69.1	-98.5	0	0	0	111.9	E195 L198 L219 L220 N221 G225 H226 R914	E195-Y223 HydrophobicContact CB-CE1 4.14Å; E195-Y223 VanDerWaalsContact O-CD1 3.26Å; E195-Y223 WeakPolarHBondContact O-CD1 3.37Å; E195-Y223 WeakPolarHBondContact O-CE1 3.32Å; L198-Y223 HydrophobicContact CB-CD1 3.97Å; L198-Y223 HydrophobicContact CB-CD2 4.03Å; L198-Y223 HydrophobicContact CB-CE1 4.19Å; L198-Y223 HydrophobicContact CB-CE2 4.27Å; L198-Y223 HydrophobicContact CB-CG 3.89Å; L198-Y223 HydrophobicContact CD1-CE1 4.42Å; L198-Y223 HydrophobicContact CD1-CE2 3.98Å; L219-Y223 HydrophobicContact CD1-CE2 4.04Å; L219-Y223 WeakPolarHBondContact O-CD2 3.49Å; L220-Y223 PolarHBondContact O-N 2.99Å; N221-Y223 PolarHBondContact O-N 3.42Å; Y223-G225 PolarHBondContact O-N 3.24Å; Y223-H226 WeakPolarHBondContact O-CB 3.35Å; Y223-H226 PolarHBondContact O-N 2.88Å; Y223-H226 PolarHBondContact O-ND1 2.97Å; Y223-R914 HydrophobicContact CE2-CB 4.5Å; Y223-R914 HydrophobicContact CE2-CG 4.26Å
224	D	74.2	Confident	75	Confident	133 Å²	133	62.7 Å²	62.7	71%	0.711	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.5	27.5	-177.9	-74.4	-36.9	0	0	0	114.5	N221 H226	N221-D224 PolarHBondContact O-N 3.15Å; N221-D224 VanDerWaalsContact O-N 3.13Å; D224-H226 VanDerWaalsContact C-N 3.31Å; D224-H226 WeakPolarHBondContact CB-ND1 3.48Å; D224-H226 PolarHBondContact O-N 3.3Å; D224-H226 PolarHBondContact O-ND1 2.93Å
225	G	68.5	Low	75	Confident	29 Å²	29	57.2 Å²	57.2	30%	0.299	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.9	3	-175.2	0	0	0	0	0	115.4	L220 Y223	L220-G225 WeakPolarHBondContact O-CA 3.38Å; L220-G225 PolarHBondContact O-N 3.36Å; Y223-G225 PolarHBondContact O-N 3.24Å
226	H	69.4	Low	74.9	Confident	49 Å²	49	59 Å²	59	23%	0.227	32%	0.318	C	S	.	.			trans	-82.6	120.6	-179.2	-52.8	96.5	0	0	0	111.5	E197 L198 Y223 D224 K450	E197-H226 HydrophobicContact CB-CB 3.94Å; E197-H226 HydrophobicContact CG-CB 3.76Å; L198-H226 PolarHBondContact N-O 3.41Å; Y223-H226 WeakPolarHBondContact O-CB 3.35Å; Y223-H226 PolarHBondContact O-N 2.88Å; Y223-H226 PolarHBondContact O-ND1 2.97Å; D224-H226 VanDerWaalsContact C-N 3.31Å; D224-H226 WeakPolarHBondContact CB-ND1 3.48Å; D224-H226 PolarHBondContact O-N 3.3Å; D224-H226 PolarHBondContact O-ND1 2.93Å; H226-K450 PolarHBondContact NE2-NZ 3.08Å
227	L	75.3	Confident	75.1	Confident	23 Å²	23	61 Å²	61	12%	0.12	33%	0.326	C	S	.	.	B	Isolated β-bridge	trans	-129.3	132.5	176.3	178.8	77.6	0	0	0	107	L13 L198 L201 L220 G229 N230	L13-L227 HydrophobicContact CD2-CD2 4.45Å; L198-L227 HydrophobicContact CB-CD1 4.12Å; L198-L227 HydrophobicContact CD2-CD1 4.04Å; L198-L227 HydrophobicContact CG-CD1 4.03Å; L198-L227 CarbonylContact O-C 3.49Å; L198-L227 WeakPolarHBondContact O-CA 3.44Å; L198-L227 WeakPolarHBondContact O-CD1 3.27Å; L201-L227 HydrophobicContact CD1-CD2 4.3Å; L201-L227 HydrophobicContact CD2-CD1 4.09Å; L201-L227 HydrophobicContact CG-CD1 3.85Å; L201-L227 HydrophobicContact CG-CD2 4.27Å; L220-L227 HydrophobicContact CD1-CB 4.3Å; L227-G229 PolarHBondContact O-N 3.37Å; L227-N230 HydrophobicContact CB-CB 3.95Å; L227-N230 WeakPolarHBondContact O-CA 3.31Å; L227-N230 WeakPolarHBondContact O-CB 3.47Å; L227-N230 PolarHBondContact O-N 3.05Å
228	H	69.6	Low	75.2	Confident	129 Å²	129	59.7 Å²	59.7	60%	0.597	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	132.1	-176.6	171.4	-94.6	0	0	0	111.7	L198 N230	L198-H228 PolarHBondContact O-N 3.05Å; H228-N230 VanDerWaalsContact C-N 3.26Å; H228-N230 PolarHBondContact O-N 3.12Å
229	G	64.7	Low	75.5	Confident	68 Å²	68	55.2 Å²	55.2	70%	0.701	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.2	-3.4	-173	0	0	0	0	0	114.9	L227 F231	L227-G229 PolarHBondContact O-N 3.37Å; G229-F231 PolarHBondContact O-N 2.68Å
230	N	66.3	Low	75.8	Confident	45 Å²	45	55.1 Å²	55.1	24%	0.241	31%	0.308	C	S	.	.			trans	-80.4	56.6	174.5	-168	25.1	0	0	0	111.5	R17 L227 H228 P232	R17-N230 PolarHBondContact NH2-OD1 3.06Å; L227-N230 HydrophobicContact CB-CB 3.95Å; L227-N230 WeakPolarHBondContact O-CA 3.31Å; L227-N230 WeakPolarHBondContact O-CB 3.47Å; L227-N230 PolarHBondContact O-N 3.05Å; H228-N230 VanDerWaalsContact C-N 3.26Å; H228-N230 PolarHBondContact O-N 3.12Å; N230-P232 WeakPolarHBondContact O-CD 3.4Å; N230-P232 VanDerWaalsContact O-N 3.1Å
231	F	67.1	Low	76.2	Confident	40 Å²	40	54.2 Å²	54.2	18%	0.175	31%	0.305	C	S	.	.			trans	-55.1	119.3	169.1	-169.5	-109.9	0	0	0	107.6	G229 F233 F235 E237	G229-F231 PolarHBondContact O-N 2.68Å; F231-F233 HydrophobicContact CD1-CB 4.15Å; F231-F233 HydrophobicContact CD1-CD2 4.37Å; F231-F233 HydrophobicContact CE1-CB 3.82Å; F231-F233 AromaticContact CE1-CD2 3.88Å; F231-F233 HydrophobicContact CE1-CD2 3.88Å; F231-F233 HydrophobicContact CE1-CG 4.35Å; F231-F233 HydrophobicContact CE2-CD2 4.22Å; F231-F233 AromaticContact CZ-CD2 3.79Å; F231-F233 HydrophobicContact CZ-CD2 3.79Å; F231-F233 PolarHBondContact O-N 3.44Å; F231-F233 VanDerWaalsContact O-N 3.16Å; F231-F235 VanDerWaalsContact CD1-O 3.28Å; F231-F235 WeakPolarHBondContact CD1-O 3.32Å; F231-F235 HydrophobicContact CE1-CD1 4.37Å; F231-F235 AromaticContact CE1-CD2 3.85Å; F231-F235 HydrophobicContact CE1-CD2 3.85Å; F231-F235 HydrophobicContact CE1-CE1 4.25Å; F231-F235 AromaticContact CE1-CE2 3.68Å; F231-F235 HydrophobicContact CE1-CE2 3.68Å; F231-F235 HydrophobicContact CE1-CG 4.2Å; F231-F235 AromaticContact CE1-CZ 3.89Å; F231-F235 HydrophobicContact CE1-CZ 3.89Å; F231-F235 VanDerWaalsContact CE1-O 3.29Å; F231-F235 WeakPolarHBondContact CE1-O 3.37Å; F231-F235 HydrophobicContact CZ-CD2 4.28Å; F231-F235 AromaticContact CZ-CE2 3.66Å; F231-F235 HydrophobicContact CZ-CE2 3.66Å; F231-F235 AromaticContact CZ-CZ 3.84Å; F231-F235 HydrophobicContact CZ-CZ 3.84Å; F231-E237 HydrophobicContact CD1-CB 4.35Å; F231-E237 HydrophobicContact CD2-CB 3.84Å; F231-E237 HydrophobicContact CD2-CG 3.94Å; F231-E237 HydrophobicContact CE1-CB 4.23Å; F231-E237 HydrophobicContact CE2-CB 3.73Å; F231-E237 HydrophobicContact CE2-CG 3.61Å; F231-E237 HydrophobicContact CG-CB 4.17Å; F231-E237 HydrophobicContact CZ-CB 3.93Å; F231-E237 HydrophobicContact CZ-CG 4.15Å
232	P	62.4	Low	76.6	Confident	48 Å²	48	53.9 Å²	53.9	31%	0.312	30%	0.3	S	S	.	.	S	Bend	trans	-79.2	-1.6	-163.1	29.1	-34.2	0	0	0	113.4	N230	N230-P232 WeakPolarHBondContact O-CD 3.4Å; N230-P232 VanDerWaalsContact O-N 3.1Å
233	F	70	Confident	77	Confident	14 Å²	14	51.4 Å²	51.4	6%	0.061	29%	0.287	C	S	.	.	S	Bend	trans	-111.2	146	-175.2	-49.8	-71.9	0	0	0	112.2	F231 F235 A439 F442 D447 L451	F231-F233 HydrophobicContact CD1-CB 4.15Å; F231-F233 HydrophobicContact CD1-CD2 4.37Å; F231-F233 HydrophobicContact CE1-CB 3.82Å; F231-F233 AromaticContact CE1-CD2 3.88Å; F231-F233 HydrophobicContact CE1-CD2 3.88Å; F231-F233 HydrophobicContact CE1-CG 4.35Å; F231-F233 HydrophobicContact CE2-CD2 4.22Å; F231-F233 AromaticContact CZ-CD2 3.79Å; F231-F233 HydrophobicContact CZ-CD2 3.79Å; F231-F233 PolarHBondContact O-N 3.44Å; F231-F233 VanDerWaalsContact O-N 3.16Å; F233-F235 HydrophobicContact CB-CD1 3.53Å; F233-F235 HydrophobicContact CB-CE1 3.33Å; F233-F235 HydrophobicContact CB-CG 4.48Å; F233-F235 HydrophobicContact CB-CZ 4.14Å; F233-F235 HydrophobicContact CD2-CE1 4.22Å; F233-F235 HydrophobicContact CD2-CZ 4.34Å; F233-F235 HydrophobicContact CG-CD1 4.47Å; F233-F235 AromaticContact CG-CE1 3.79Å; F233-F235 HydrophobicContact CG-CE1 3.79Å; F233-F235 HydrophobicContact CG-CZ 4.36Å; F233-F235 PolarHBondContact O-N 3.23Å; F233-A439 HydrophobicContact CE1-CB 3.88Å; F233-A439 HydrophobicContact CZ-CB 4.38Å; F233-F442 CarbonylContact C-O 3.18Å; F233-F442 VanDerWaalsContact CA-O 3.31Å; F233-F442 WeakPolarHBondContact CA-O 3.3Å; F233-F442 HydrophobicContact CB-CB 3.9Å; F233-F442 HydrophobicContact CD1-CB 4.42Å; F233-D447 HydrophobicContact CE1-CB 3.83Å; F233-D447 HydrophobicContact CZ-CB 3.6Å; F233-L451 HydrophobicContact CD2-CD1 3.9Å; F233-L451 HydrophobicContact CE2-CB 3.97Å; F233-L451 HydrophobicContact CE2-CD1 3.52Å; F233-L451 HydrophobicContact CE2-CG 4.32Å; F233-L451 HydrophobicContact CZ-CB 3.78Å; F233-L451 HydrophobicContact CZ-CD1 3.95Å; F233-L451 HydrophobicContact CZ-CG 4.35Å
234	E	75.4	Confident	77.7	Confident	133 Å²	133	51.1 Å²	51.1	62%	0.621	29%	0.285	S	S	*	.	S	Bend	trans	-68.6	27.6	178.8	-63.1	-177.2	156.5	0	0	115.4	R76 F442	R76-E234 IonicContact CZ-OE2 3.26Å; R76-E234 IonicContact NH1-OE2 2.69Å; R76-E234 PolarHBondContact NH1-OE2 3.3Å; R76-E234 IonicContact NH2-OE2 3.1Å; R76-E234 PolarHBondContact NH2-OE2 3.27Å; E234-F442 HydrophobicContact CB-CD1 4.17Å; E234-F442 PolarHBondContact N-O 3.44Å
235	F	80.9	Confident	78.5	Confident	13 Å²	13	48.2 Å²	48.2	6%	0.057	27%	0.27	C	S	.	.	S	Bend	trans	-134.6	162.7	179.7	67.5	-93.3	0	0	0	113.6	Y79 F231 F233 E237 L240 L243 I438 F442 L451	Y79-F235 HydrophobicContact CD1-CB 4.45Å; Y79-F235 HydrophobicContact CD2-CB 4.17Å; Y79-F235 HydrophobicContact CE1-CB 3.88Å; Y79-F235 HydrophobicContact CE2-CB 3.57Å; Y79-F235 HydrophobicContact CE2-CG 4.39Å; F231-F235 VanDerWaalsContact CD1-O 3.28Å; F231-F235 WeakPolarHBondContact CD1-O 3.32Å; F231-F235 HydrophobicContact CE1-CD1 4.37Å; F231-F235 AromaticContact CE1-CD2 3.85Å; F231-F235 HydrophobicContact CE1-CD2 3.85Å; F231-F235 HydrophobicContact CE1-CE1 4.25Å; F231-F235 AromaticContact CE1-CE2 3.68Å; F231-F235 HydrophobicContact CE1-CE2 3.68Å; F231-F235 HydrophobicContact CE1-CG 4.2Å; F231-F235 AromaticContact CE1-CZ 3.89Å; F231-F235 HydrophobicContact CE1-CZ 3.89Å; F231-F235 VanDerWaalsContact CE1-O 3.29Å; F231-F235 WeakPolarHBondContact CE1-O 3.37Å; F231-F235 HydrophobicContact CZ-CD2 4.28Å; F231-F235 AromaticContact CZ-CE2 3.66Å; F231-F235 HydrophobicContact CZ-CE2 3.66Å; F231-F235 AromaticContact CZ-CZ 3.84Å; F231-F235 HydrophobicContact CZ-CZ 3.84Å; F233-F235 HydrophobicContact CB-CD1 3.53Å; F233-F235 HydrophobicContact CB-CE1 3.33Å; F233-F235 HydrophobicContact CB-CG 4.48Å; F233-F235 HydrophobicContact CB-CZ 4.14Å; F233-F235 HydrophobicContact CD2-CE1 4.22Å; F233-F235 HydrophobicContact CD2-CZ 4.34Å; F233-F235 HydrophobicContact CG-CD1 4.47Å; F233-F235 AromaticContact CG-CE1 3.79Å; F233-F235 HydrophobicContact CG-CE1 3.79Å; F233-F235 HydrophobicContact CG-CZ 4.36Å; F233-F235 PolarHBondContact O-N 3.23Å; F235-E237 PolarHBondContact O-N 3.18Å; F235-L240 HydrophobicContact CE2-CB 4.09Å; F235-L240 HydrophobicContact CE2-CD1 3.89Å; F235-L240 HydrophobicContact CZ-CD1 3.83Å; F235-L243 HydrophobicContact CD1-CD2 4.24Å; F235-L243 HydrophobicContact CD2-CD2 4.02Å; F235-L243 HydrophobicContact CE1-CD2 4.09Å; F235-L243 HydrophobicContact CE2-CD2 3.88Å; F235-L243 HydrophobicContact CG-CD2 4.21Å; F235-L243 HydrophobicContact CZ-CD2 3.91Å; F235-I438 HydrophobicContact CE1-CG2 4.08Å; F235-I438 HydrophobicContact CZ-CG2 4.24Å; F235-F442 HydrophobicContact CD1-CB 3.65Å; F235-F442 HydrophobicContact CD1-CD1 4.09Å; F235-F442 AromaticContact CD1-CD2 3.47Å; F235-F442 HydrophobicContact CD1-CD2 3.47Å; F235-F442 VanDerWaalsContact CD1-CD2 3.47Å; F235-F442 HydrophobicContact CD1-CE2 4.07Å; F235-F442 AromaticContact CD1-CG 3.5Å; F235-F442 HydrophobicContact CD1-CG 3.5Å; F235-F442 HydrophobicContact CE1-CB 3.96Å; F235-F442 AromaticContact CE1-CD2 3.72Å; F235-F442 HydrophobicContact CE1-CD2 3.72Å; F235-F442 HydrophobicContact CE1-CE2 4.48Å; F235-F442 HydrophobicContact CE1-CG 4.04Å; F235-F442 HydrophobicContact CG-CD2 4.48Å; F235-L451 HydrophobicContact CZ-CD1 3.96Å
236	E	80.7	Confident	79.6	Confident	69 Å²	69	48.4 Å²	48.4	32%	0.322	27%	0.269	S	S	.	.			trans	-73.1	120.2	179.1	-68.5	166.7	-149.4	0	0	110.7	Y79 R83 S238 L239	Y79-E236 PolarHBondContact OH-N 2.87Å; Y79-E236 VanDerWaalsContact OH-N 3.15Å; R83-E236 IonicContact CZ-OE1 3.81Å; R83-E236 IonicContact NE-OE1 3.18Å; R83-E236 PolarHBondContact NE-OE1 3.01Å; R83-E236 IonicContact NH2-OE1 3.91Å; R83-E236 PolarHBondContact NH2-OE1 3.13Å; E236-S238 PolarHBondContact O-N 3.36Å; E236-S238 VanDerWaalsContact O-N 3.15Å; E236-L239 HydrophobicContact CB-CD1 4.17Å; E236-L239 HydrophobicContact CB-CG 4.15Å; E236-L239 WeakPolarHBondContact O-CB 3.45Å; E236-L239 PolarHBondContact O-N 2.96Å
237	E	83.1	Confident	80.6	Confident	75 Å²	75	46 Å²	46	35%	0.35	26%	0.258	S	S	.	.	G	3₁₀ helix	trans	-54.8	-34.7	-179.2	-179.7	171.7	-146.2	0	0	113.2	F231 F235 L239 L240 L458	F231-E237 HydrophobicContact CD1-CB 4.35Å; F231-E237 HydrophobicContact CD2-CB 3.84Å; F231-E237 HydrophobicContact CD2-CG 3.94Å; F231-E237 HydrophobicContact CE1-CB 4.23Å; F231-E237 HydrophobicContact CE2-CB 3.73Å; F231-E237 HydrophobicContact CE2-CG 3.61Å; F231-E237 HydrophobicContact CG-CB 4.17Å; F231-E237 HydrophobicContact CZ-CB 3.93Å; F231-E237 HydrophobicContact CZ-CG 4.15Å; F235-E237 PolarHBondContact O-N 3.18Å; E237-L239 PolarHBondContact O-N 3.01Å; E237-L240 WeakPolarHBondContact O-CB 3.5Å; E237-L240 PolarHBondContact O-N 3.31Å; E237-L458 HydrophobicContact CG-CD1 3.76Å
238	S	84.3	Confident	81.3	Confident	85 Å²	85	46.2 Å²	46.2	59%	0.594	26%	0.262	S	S	*	.	G	3₁₀ helix	trans	-60.4	-16.5	175.7	72	0	0	0	0	114.1	E236	E236-S238 PolarHBondContact O-N 3.36Å; E236-S238 VanDerWaalsContact O-N 3.15Å
239	L	88	Confident	82.2	Confident	0 Å²	0	49.1 Å²	49.1	0%	0	27%	0.273	C	S	.	.	G	3₁₀ helix	trans	-97.5	-2.6	175.5	-55.4	-178.6	0	0	0	112.8	Y79 I82 R83 N86 E236 E237 V241 Q242 L243	Y79-L239 HydrophobicContact CE2-CB 4.19Å; Y79-L239 HydrophobicContact CE2-CD1 3.67Å; I82-L239 HydrophobicContact CG2-CD2 4.28Å; R83-L239 HydrophobicContact CB-CD1 4Å; R83-L239 HydrophobicContact CG-CD1 3.98Å; N86-L239 HydrophobicContact CB-CD2 4.12Å; N86-L239 VanDerWaalsContact ND2-CD2 3.29Å; N86-L239 WeakPolarHBondContact ND2-CD2 3.4Å; E236-L239 HydrophobicContact CB-CD1 4.17Å; E236-L239 HydrophobicContact CB-CG 4.15Å; E236-L239 WeakPolarHBondContact O-CB 3.45Å; E236-L239 PolarHBondContact O-N 2.96Å; E237-L239 PolarHBondContact O-N 3.01Å; L239-V241 PolarHBondContact O-N 3.02Å; L239-Q242 PolarHBondContact O-N 2.64Å; L239-L243 VanDerWaalsContact O-CB 3.27Å; L239-L243 WeakPolarHBondContact O-CB 3.36Å; L239-L243 PolarHBondContact O-N 2.76Å
240	L	89	Confident	83.3	Confident	0 Å²	0	47.2 Å²	47.2	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-55.2	-51.5	-176.5	175.6	56.6	0	0	0	112.6	F235 E237 Q242 L243 V244 L451 R454 L458	F235-L240 HydrophobicContact CE2-CB 4.09Å; F235-L240 HydrophobicContact CE2-CD1 3.89Å; F235-L240 HydrophobicContact CZ-CD1 3.83Å; E237-L240 WeakPolarHBondContact O-CB 3.5Å; E237-L240 PolarHBondContact O-N 3.31Å; L240-Q242 VanDerWaalsContact C-N 3.33Å; L240-Q242 PolarHBondContact O-N 3.03Å; L240-L243 PolarHBondContact O-N 3.04Å; L240-V244 HydrophobicContact CD1-CG2 3.71Å; L240-V244 WeakPolarHBondContact O-CB 3.31Å; L240-V244 WeakPolarHBondContact O-CG2 2.98Å; L240-V244 PolarHBondContact O-N 3.32Å; L240-L451 HydrophobicContact CD1-CD1 3.42Å; L240-L451 VanDerWaalsContact CD1-CD1 3.42Å; L240-L451 HydrophobicContact CD1-CG 4.26Å; L240-L451 HydrophobicContact CD2-CD1 4.46Å; L240-R454 HydrophobicContact CD2-CB 4.03Å; L240-L458 HydrophobicContact CB-CD1 4.1Å; L240-L458 HydrophobicContact CD2-CD1 3.98Å; L240-L458 HydrophobicContact CG-CD1 4.48Å
241	V	90	Very high	84.3	Confident	29 Å²	29	47 Å²	47	18%	0.176	25%	0.247	C	C	.	.	H	α-helix	trans	-64.2	-39.8	-178.8	-179.4	0	0	0	0	111	L239 N245 Y455 L458	L239-V241 PolarHBondContact O-N 3.02Å; V241-N245 VanDerWaalsContact O-CB 3.27Å; V241-N245 WeakPolarHBondContact O-CB 3.48Å; V241-N245 PolarHBondContact O-N 2.62Å; V241-N245 VanDerWaalsContact O-N 3.08Å; V241-N245 PolarHBondContact O-ND2 3.31Å; V241-N245 PolarHBondContact O-OD1 3.22Å; V241-Y455 HydrophobicContact CB-CE2 4.42Å; V241-Y455 HydrophobicContact CG1-CE2 4.11Å; V241-Y455 HydrophobicContact CG2-CD2 4.32Å; V241-L458 HydrophobicContact CG2-CB 3.69Å
242	Q	89.8	Confident	85	Confident	91 Å²	91	49.1 Å²	49.1	43%	0.425	27%	0.265	S	S	.	.	H	α-helix	trans	-66.5	-43.8	177.1	-59.2	-173.4	7.8	0	0	111.3	I82 N86 L239 L240 A246	I82-Q242 HydrophobicContact CG2-CB 3.93Å; N86-Q242 PolarHBondContact ND2-OE1 3.2Å; L239-Q242 PolarHBondContact O-N 2.64Å; L240-Q242 VanDerWaalsContact C-N 3.33Å; L240-Q242 PolarHBondContact O-N 3.03Å; Q242-A246 WeakPolarHBondContact O-CB 3.46Å; Q242-A246 PolarHBondContact O-N 3.39Å
243	L	91.5	Very high	86	Confident	0 Å²	0	51.2 Å²	51.2	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-63.9	-50.9	179	177.9	61	0	0	0	111.8	V78 Y79 I82 F235 L239 L240 N245 A246 V247 I438 F442	V78-L243 HydrophobicContact CG1-CD1 4.29Å; Y79-L243 HydrophobicContact CD2-CD1 4.4Å; Y79-L243 HydrophobicContact CD2-CD2 4.23Å; I82-L243 HydrophobicContact CD1-CB 4.5Å; I82-L243 HydrophobicContact CD1-CD1 4.37Å; F235-L243 HydrophobicContact CD1-CD2 4.24Å; F235-L243 HydrophobicContact CD2-CD2 4.02Å; F235-L243 HydrophobicContact CE1-CD2 4.09Å; F235-L243 HydrophobicContact CE2-CD2 3.88Å; F235-L243 HydrophobicContact CG-CD2 4.21Å; F235-L243 HydrophobicContact CZ-CD2 3.91Å; L239-L243 VanDerWaalsContact O-CB 3.27Å; L239-L243 WeakPolarHBondContact O-CB 3.36Å; L239-L243 PolarHBondContact O-N 2.76Å; L240-L243 PolarHBondContact O-N 3.04Å; L243-N245 PolarHBondContact O-N 2.84Å; L243-A246 PolarHBondContact O-N 3.23Å; L243-V247 HydrophobicContact CD1-CG2 3.9Å; L243-V247 HydrophobicContact CG-CG2 4.5Å; L243-V247 WeakPolarHBondContact O-CB 3.3Å; L243-V247 VanDerWaalsContact O-CG2 3.31Å; L243-V247 WeakPolarHBondContact O-CG2 3.35Å; L243-V247 PolarHBondContact O-N 2.92Å; L243-I438 HydrophobicContact CD2-CG2 4.07Å; L243-I438 HydrophobicContact CG-CD1 4.44Å; L243-F442 HydrophobicContact CD2-CD2 4.44Å; L243-F442 HydrophobicContact CD2-CE2 3.9Å
244	V	91.5	Very high	86.7	Confident	0 Å²	0	50.8 Å²	50.8	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-61.1	-46.5	179	169	0	0	0	0	110.7	L240 A246 V247 A248 I430 F435 I438 Y455	L240-V244 HydrophobicContact CD1-CG2 3.71Å; L240-V244 WeakPolarHBondContact O-CB 3.31Å; L240-V244 WeakPolarHBondContact O-CG2 2.98Å; L240-V244 PolarHBondContact O-N 3.32Å; V244-A246 PolarHBondContact O-N 2.81Å; V244-V247 PolarHBondContact O-N 2.92Å; V244-A248 VanDerWaalsContact O-CB 3.22Å; V244-A248 WeakPolarHBondContact O-CB 3.48Å; V244-A248 PolarHBondContact O-N 3.03Å; V244-I430 HydrophobicContact CG1-CD1 3.49Å; V244-I430 VanDerWaalsContact CG1-CD1 3.49Å; V244-F435 HydrophobicContact CG1-CE1 3.8Å; V244-F435 HydrophobicContact CG1-CZ 4.03Å; V244-F435 HydrophobicContact CG2-CE1 4.18Å; V244-I438 HydrophobicContact CB-CD1 4.39Å; V244-I438 HydrophobicContact CG2-CD1 3.77Å; V244-Y455 HydrophobicContact CB-CD2 3.59Å; V244-Y455 HydrophobicContact CB-CE2 3.65Å; V244-Y455 HydrophobicContact CB-CG 4.45Å; V244-Y455 HydrophobicContact CG1-CD1 4.47Å; V244-Y455 HydrophobicContact CG1-CD2 3.56Å; V244-Y455 HydrophobicContact CG1-CE1 4.38Å; V244-Y455 HydrophobicContact CG1-CE2 3.42Å; V244-Y455 VanDerWaalsContact CG1-CE2 3.42Å; V244-Y455 HydrophobicContact CG1-CG 4.1Å; V244-Y455 HydrophobicContact CG2-CD2 3.87Å; V244-Y455 HydrophobicContact CG2-CE2 4.43Å; V244-Y455 HydrophobicContact CG2-CG 4.44Å
245	N	91.1	Very high	87	Confident	72 Å²	72	45.3 Å²	45.3	39%	0.385	25%	0.247	S	C	.	.	H	α-helix	trans	-63.7	-39.1	178	-68	-9	0	0	0	112.2	V241 L243 K249 Y455	V241-N245 VanDerWaalsContact O-CB 3.27Å; V241-N245 WeakPolarHBondContact O-CB 3.48Å; V241-N245 PolarHBondContact O-N 2.62Å; V241-N245 VanDerWaalsContact O-N 3.08Å; V241-N245 PolarHBondContact O-ND2 3.31Å; V241-N245 PolarHBondContact O-OD1 3.22Å; L243-N245 PolarHBondContact O-N 2.84Å; N245-K249 WeakPolarHBondContact O-CB 3.47Å; N245-K249 PolarHBondContact O-N 3.27Å; N245-Y455 PolarHBondContact OD1-OH 3.25Å
246	A	90.8	Very high	87	Confident	33 Å²	33	49.2 Å²	49.2	27%	0.273	27%	0.272	S	S	.	.	H	α-helix	trans	-72	-41	179	0	0	0	0	0	113.2	V78 I82 Q242 L243 V244 K249 A250	V78-A246 HydrophobicContact CG1-CB 3.76Å; I82-A246 HydrophobicContact CD1-CB 3.65Å; Q242-A246 WeakPolarHBondContact O-CB 3.46Å; Q242-A246 PolarHBondContact O-N 3.39Å; L243-A246 PolarHBondContact O-N 3.23Å; V244-A246 PolarHBondContact O-N 2.81Å; A246-K249 PolarHBondContact O-N 3.34Å; A246-A250 WeakPolarHBondContact O-CB 3.29Å; A246-A250 PolarHBondContact O-N 2.85Å
247	V	90.7	Very high	86.9	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-67.9	-37.6	175	175.3	0	0	0	0	110.5	I75 V78 L243 V244 A250 W251 I254 V434 I438	I75-V247 HydrophobicContact CD1-CG1 4.18Å; I75-V247 HydrophobicContact CG1-CG1 4.13Å; I75-V247 HydrophobicContact CG1-CG2 4.24Å; I75-V247 HydrophobicContact CG2-CG2 4.23Å; V78-V247 HydrophobicContact CB-CG2 4.42Å; V78-V247 HydrophobicContact CG1-CG2 3.95Å; L243-V247 HydrophobicContact CD1-CG2 3.9Å; L243-V247 HydrophobicContact CG-CG2 4.5Å; L243-V247 WeakPolarHBondContact O-CB 3.3Å; L243-V247 VanDerWaalsContact O-CG2 3.31Å; L243-V247 WeakPolarHBondContact O-CG2 3.35Å; L243-V247 PolarHBondContact O-N 2.92Å; V244-V247 PolarHBondContact O-N 2.92Å; V247-A250 CarbonylContact O-C 3.47Å; V247-A250 PolarHBondContact O-N 3.27Å; V247-W251 HydrophobicContact CG1-CE3 3.99Å; V247-W251 HydrophobicContact CG1-CZ3 4.16Å; V247-W251 WeakPolarHBondContact O-CA 3.23Å; V247-W251 WeakPolarHBondContact O-CB 3.35Å; V247-W251 PolarHBondContact O-N 3.43Å; V247-I254 HydrophobicContact CG1-CD1 4.11Å; V247-V434 HydrophobicContact CB-CG1 4.28Å; V247-V434 HydrophobicContact CG1-CG1 3.95Å; V247-I438 HydrophobicContact CB-CD1 4.05Å; V247-I438 HydrophobicContact CB-CG1 4.44Å; V247-I438 HydrophobicContact CG1-CD1 4.23Å; V247-I438 HydrophobicContact CG1-CG1 4.24Å; V247-I438 HydrophobicContact CG2-CD1 4.18Å; V247-I438 HydrophobicContact CG2-CG1 4.28Å
248	A	90.1	Very high	86.6	Confident	26 Å²	26	48.4 Å²	48.4	22%	0.215	27%	0.267	C	S	.	.	H	α-helix	trans	-61.8	-45.1	171.9	0	0	0	0	0	111.9	V244 A250 W251 I430 V434	V244-A248 VanDerWaalsContact O-CB 3.22Å; V244-A248 WeakPolarHBondContact O-CB 3.48Å; V244-A248 PolarHBondContact O-N 3.03Å; A248-A250 VanDerWaalsContact C-N 3.32Å; A248-A250 PolarHBondContact O-N 3.45Å; A248-W251 WeakPolarHBondContact O-CB 3.43Å; A248-W251 PolarHBondContact O-N 3.49Å; A248-W251 VanDerWaalsContact O-N 3.16Å; A248-I430 HydrophobicContact CB-CD1 4.3Å; A248-I430 HydrophobicContact CB-CG1 4.45Å; A248-I430 HydrophobicContact CB-CG2 3.95Å; A248-V434 HydrophobicContact CB-CG2 4.44Å
249	K	88.6	Confident	85.7	Confident	191 Å²	191	45.7 Å²	45.7	83%	0.83	25%	0.253	S	S	*	.	H	α-helix	trans	-63.3	-36	175.2	-173.2	173.2	-178.4	175.4	0	112.6	N245 A246 W251	N245-K249 WeakPolarHBondContact O-CB 3.47Å; N245-K249 PolarHBondContact O-N 3.27Å; A246-K249 PolarHBondContact O-N 3.34Å; K249-W251 VanDerWaalsContact C-N 3.33Å
250	A	88	Confident	84.6	Confident	28 Å²	28	48.4 Å²	48.4	23%	0.231	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.5	0.3	176.3	0	0	0	0	0	114.1	A246 V247 A248 D253 I254	A246-A250 WeakPolarHBondContact O-CB 3.29Å; A246-A250 PolarHBondContact O-N 2.85Å; V247-A250 CarbonylContact O-C 3.47Å; V247-A250 PolarHBondContact O-N 3.27Å; A248-A250 VanDerWaalsContact C-N 3.32Å; A248-A250 PolarHBondContact O-N 3.45Å; A250-D253 WeakPolarHBondContact O-CB 3.46Å; A250-D253 PolarHBondContact O-N 2.99Å; A250-I254 HydrophobicContact CB-CD1 3.8Å; A250-I254 HydrophobicContact CB-CG1 4.28Å; A250-I254 WeakPolarHBondContact O-CB 3.4Å; A250-I254 WeakPolarHBondContact O-CG1 3.34Å; A250-I254 PolarHBondContact O-N 2.89Å
251	W	87.3	Confident	82.9	Confident	41 Å²	41	53.3 Å²	53.3	16%	0.155	29%	0.292	C	S	.	.	H	α-helix	trans	-62.5	-39.9	-169.5	-163.2	-115.8	0	0	0	115	L71 V247 A248 K249 D253 I254 T255 G433 V434 A437	L71-W251 HydrophobicContact CD1-CZ3 4.41Å; V247-W251 HydrophobicContact CG1-CE3 3.99Å; V247-W251 HydrophobicContact CG1-CZ3 4.16Å; V247-W251 WeakPolarHBondContact O-CA 3.23Å; V247-W251 WeakPolarHBondContact O-CB 3.35Å; V247-W251 PolarHBondContact O-N 3.43Å; A248-W251 WeakPolarHBondContact O-CB 3.43Å; A248-W251 PolarHBondContact O-N 3.49Å; A248-W251 VanDerWaalsContact O-N 3.16Å; K249-W251 VanDerWaalsContact C-N 3.33Å; W251-D253 VanDerWaalsContact C-N 3.29Å; W251-D253 PolarHBondContact O-N 2.88Å; W251-I254 HydrophobicContact CE3-CB 4.46Å; W251-I254 HydrophobicContact CE3-CG2 4.12Å; W251-I254 HydrophobicContact CZ3-CG2 4.07Å; W251-I254 PolarHBondContact O-N 3.06Å; W251-T255 HydrophobicContact CD2-CG2 4.14Å; W251-T255 HydrophobicContact CG-CG2 4.33Å; W251-T255 HydrophobicContact CZ2-CG2 4.11Å; W251-T255 WeakPolarHBondContact O-CB 3.29Å; W251-T255 WeakPolarHBondContact O-CG2 3.43Å; W251-T255 PolarHBondContact O-N 2.73Å; W251-T255 PolarHBondContact O-OG1 2.67Å; W251-G433 WeakPolarHBondContact CH2-O 3.48Å; W251-V434 HydrophobicContact CB-CG2 4.45Å; W251-V434 HydrophobicContact CD2-CG2 3.61Å; W251-V434 HydrophobicContact CE3-CG2 3.74Å; W251-V434 HydrophobicContact CG-CG2 3.94Å; W251-V434 HydrophobicContact CZ2-CG2 4.46Å; W251-V434 HydrophobicContact CZ3-CG2 4.23Å; W251-A437 HydrophobicContact CH2-CB 3.73Å; W251-A437 HydrophobicContact CZ3-CB 3.93Å
252	P	82.6	Confident	80.4	Confident	84 Å²	84	56.6 Å²	56.6	55%	0.545	31%	0.314	S	S	.	.	H	α-helix	trans	-61.9	-37.6	175	-23	35	0	0	0	112.7	T255 T256	P252-T255 WeakPolarHBondContact CA-OG1 3.43Å; P252-T255 PolarHBondContact O-OG1 2.67Å; P252-T255 VanDerWaalsContact O-OG1 3.06Å; P252-T256 VanDerWaalsContact O-CB 3.29Å; P252-T256 WeakPolarHBondContact O-CB 3.42Å; P252-T256 PolarHBondContact O-N 3.43Å; P252-T256 PolarHBondContact O-OG1 3.24Å
253	D	83	Confident	77.7	Confident	91 Å²	91	59.9 Å²	59.9	49%	0.487	33%	0.334	S	S	.	.	H	α-helix	trans	-69.3	-47.4	177.6	-106.6	34.3	0	0	0	111.7	A250 W251 T256 K257	A250-D253 WeakPolarHBondContact O-CB 3.46Å; A250-D253 PolarHBondContact O-N 2.99Å; W251-D253 VanDerWaalsContact C-N 3.29Å; W251-D253 PolarHBondContact O-N 2.88Å; D253-T256 PolarHBondContact O-N 3.43Å; D253-K257 VanDerWaalsContact O-CB 3.3Å; D253-K257 WeakPolarHBondContact O-CB 3.18Å; D253-K257 WeakPolarHBondContact O-CD 3.44Å; D253-K257 VanDerWaalsContact O-CG 3.28Å; D253-K257 WeakPolarHBondContact O-CG 3.4Å; D253-K257 PolarHBondContact O-N 2.8Å; D253-K257 IonicContact OD2-NZ 2.72Å; D253-K257 PolarHBondContact OD2-NZ 3.46Å
254	I	83.6	Confident	74.9	Confident	6 Å²	6	65.2 Å²	65.2	3%	0.031	37%	0.366	C	S	.	.	H	α-helix	trans	-60.9	-47.1	177.9	-73.9	168.7	0	0	0	110.4	L71 M74 I75 V247 A250 W251 K257 C258	L71-I254 HydrophobicContact CD1-CG2 3.36Å; M74-I254 HydrophobicContact CE-CB 4.31Å; M74-I254 HydrophobicContact CE-CG1 4.31Å; M74-I254 HydrophobicContact CE-CG2 4.12Å; I75-I254 HydrophobicContact CG1-CD1 4.43Å; V247-I254 HydrophobicContact CG1-CD1 4.11Å; A250-I254 HydrophobicContact CB-CD1 3.8Å; A250-I254 HydrophobicContact CB-CG1 4.28Å; A250-I254 WeakPolarHBondContact O-CB 3.4Å; A250-I254 WeakPolarHBondContact O-CG1 3.34Å; A250-I254 PolarHBondContact O-N 2.89Å; W251-I254 HydrophobicContact CE3-CB 4.46Å; W251-I254 HydrophobicContact CE3-CG2 4.12Å; W251-I254 HydrophobicContact CZ3-CG2 4.07Å; W251-I254 PolarHBondContact O-N 3.06Å; I254-K257 PolarHBondContact O-N 3.18Å; I254-C258 VanDerWaalsContact O-CB 3.3Å; I254-C258 WeakPolarHBondContact O-CB 3.32Å; I254-C258 PolarHBondContact O-N 2.99Å; I254-C258 PolarHBondContact O-SG 2.97Å; I254-C258 VanDerWaalsContact O-SG 3.42Å
255	T	82.5	Confident	72.1	Confident	18 Å²	18	72.6 Å²	72.6	11%	0.11	41%	0.406	C	S	.	.	H	α-helix	trans	-65.3	-43	179.3	49.6	0	0	0	0	111.8	W251 P252 C258 G259 L260	W251-T255 HydrophobicContact CD2-CG2 4.14Å; W251-T255 HydrophobicContact CG-CG2 4.33Å; W251-T255 HydrophobicContact CZ2-CG2 4.11Å; W251-T255 WeakPolarHBondContact O-CB 3.29Å; W251-T255 WeakPolarHBondContact O-CG2 3.43Å; W251-T255 PolarHBondContact O-N 2.73Å; W251-T255 PolarHBondContact O-OG1 2.67Å; P252-T255 WeakPolarHBondContact CA-OG1 3.43Å; P252-T255 PolarHBondContact O-OG1 2.67Å; P252-T255 VanDerWaalsContact O-OG1 3.06Å; T255-C258 PolarHBondContact O-N 3.5Å; T255-G259 PolarHBondContact O-N 2.97Å; T255-L260 HydrophobicContact CG2-CB 4.14Å; T255-L260 HydrophobicContact CG2-CD1 4.1Å; T255-L260 PolarHBondContact O-N 2.97Å
256	T	81.3	Confident	69.3	Low	94 Å²	94	78.3 Å²	78.3	58%	0.577	43%	0.43	S	S	*	.	H	α-helix	trans	-62.4	-49.6	175.2	-57.9	0	0	0	0	111.8	P252 D253 C258 G259	P252-T256 VanDerWaalsContact O-CB 3.29Å; P252-T256 WeakPolarHBondContact O-CB 3.42Å; P252-T256 PolarHBondContact O-N 3.43Å; P252-T256 PolarHBondContact O-OG1 3.24Å; D253-T256 PolarHBondContact O-N 3.43Å; T256-C258 VanDerWaalsContact C-N 3.31Å; T256-C258 PolarHBondContact O-N 3.47Å; T256-G259 PolarHBondContact O-N 2.89Å
257	K	78.3	Confident	66.4	Low	122 Å²	122	85.8 Å²	85.8	53%	0.53	46%	0.456	S	S	.	.	H	α-helix	trans	-67.3	-26.8	-178.8	-71.6	163.4	-178.8	160.3	0	113.6	M74 D253 I254	M74-K257 HydrophobicContact CE-CB 4.05Å; M74-K257 HydrophobicContact SD-CB 3.99Å; M74-K257 HydrophobicContact SD-CD 4.07Å; D253-K257 VanDerWaalsContact O-CB 3.3Å; D253-K257 WeakPolarHBondContact O-CB 3.18Å; D253-K257 WeakPolarHBondContact O-CD 3.44Å; D253-K257 VanDerWaalsContact O-CG 3.28Å; D253-K257 WeakPolarHBondContact O-CG 3.4Å; D253-K257 PolarHBondContact O-N 2.8Å; D253-K257 IonicContact OD2-NZ 2.72Å; D253-K257 PolarHBondContact OD2-NZ 3.46Å; I254-K257 PolarHBondContact O-N 3.18Å
258	C	76.6	Confident	63.8	Low	5 Å²	5	92.4 Å²	92.4	3%	0.034	49%	0.492	C	S	.	.	H	α-helix	trans	-85	-9.1	170.6	-72.2	0	0	0	0	114.2	R67 M74 I254 T255 T256 L260	R67-C258 HydrophobicContact CG-CB 4.1Å; R67-C258 PolarHBondContact NE-O 3.33Å; M74-C258 WeakPolarHBondContact CE-SG 3.22Å; I254-C258 VanDerWaalsContact O-CB 3.3Å; I254-C258 WeakPolarHBondContact O-CB 3.32Å; I254-C258 PolarHBondContact O-N 2.99Å; I254-C258 PolarHBondContact O-SG 2.97Å; I254-C258 VanDerWaalsContact O-SG 3.42Å; T255-C258 PolarHBondContact O-N 3.5Å; T256-C258 VanDerWaalsContact C-N 3.31Å; T256-C258 PolarHBondContact O-N 3.47Å; C258-L260 VanDerWaalsContact C-N 3.32Å; C258-L260 HydrophobicContact CB-CD1 3.78Å; C258-L260 HydrophobicContact CB-CG 3.94Å
259	G	64.6	Low	61.1	Low	29 Å²	29	99.5 Å²	99.5	30%	0.299	52%	0.52	S	S	.	.	T	Hydrogen-bonded Turn	trans	67	28.9	-173.7	0	0	0	0	0	113.8	R67 T255 T256 I261	R67-G259 VanDerWaalsContact CZ-O 3.29Å; R67-G259 PolarHBondContact NH1-O 3.4Å; T255-G259 PolarHBondContact O-N 2.97Å; T256-G259 PolarHBondContact O-N 2.89Å; G259-I261 PolarHBondContact O-N 3.47Å
260	L	65.9	Low	58.7	Low	56 Å²	56	98.2 Å²	98.2	29%	0.293	52%	0.517	S	S	.	.			trans	-70.6	-5.9	-177.4	-80.7	160.7	0	0	0	113.9	T255 C258	T255-L260 HydrophobicContact CG2-CB 4.14Å; T255-L260 HydrophobicContact CG2-CD1 4.1Å; T255-L260 PolarHBondContact O-N 2.97Å; C258-L260 VanDerWaalsContact C-N 3.32Å; C258-L260 HydrophobicContact CB-CD1 3.78Å; C258-L260 HydrophobicContact CB-CG 3.94Å
261	I	53.5	Low	55.9	Low	103 Å²	103	102.2 Å²	102.2	53%	0.528	54%	0.544	S	S	.	.	S	Bend	trans	-103.7	129.2	178.8	-54	172.5	0	0	0	109.8	G259	G259-I261 PolarHBondContact O-N 3.47Å
262	P	37.9	Very low	53.3	Low	99 Å²	99	106.2 Å²	106.2	64%	0.643	58%	0.575	S	S	*	*			trans	-70	126.2	170.6	-17	31.4	0	0	0	112	T264	P262-T264 PolarHBondContact O-N 3.07Å
263	L	31.8	Very low	51	Low	160 Å²	160	110 Å²	110	84%	0.838	59%	0.589	S	S	*	*			trans	-80.2	102.2	169.7	-80.7	164.9	0	0	0	110.4
264	T	33.7	Very low	48.5	Very low	112 Å²	112	112.3 Å²	112.3	69%	0.687	60%	0.601	S	S	*	*			trans	-108.5	130	174.3	48.8	0	0	0	0	112.1	P262	P262-T264 PolarHBondContact O-N 3.07Å
265	N	31.8	Very low	46.2	Very low	154 Å²	154	120.1 Å²	120.1	82%	0.824	64%	0.642	S	S	*	*			trans	63.9	97.4	161.1	-57	11.4	0	0	0	118.2
266	Q	32	Very low	43.9	Very low	192 Å²	192	123.2 Å²	123.2	90%	0.897	66%	0.664	S	S	*	*			trans	-106.2	153	141.2	-77.9	-175.2	-22.4	0	0	108.4
267	K	30.4	Very low	41.8	Very low	190 Å²	190	127.8 Å²	127.8	83%	0.826	68%	0.679	S	S	*	*			trans	73.8	129.9	-166.9	-45.9	179.2	178.7	-172.6	0	110.3
268	D	35.8	Very low	39.8	Very low	139 Å²	139	129.4 Å²	129.4	74%	0.743	69%	0.694	S	S	*	*				-147.8	157.3	54.3	-69.5	-44.3	0	0	0	113.3
269	E	34.3	Very low	37.9	Very low	175 Å²	175	134.6 Å²	134.6	82%	0.818	73%	0.727	S	S	*	*			trans	56.8	147.4	142.5	-68.6	179.7	176.6	0	0	122
270	H	36.9	Very low	36.4	Very low	164 Å²	164	141.2 Å²	141.2	76%	0.759	75%	0.754	S	S	*	*			cis	-177.7	127	-25.7	-126.4	86.8	0	0	0	107
271	S	30.2	Very low	34.6	Very low	113 Å²	113	142.8 Å²	142.8	79%	0.79	78%	0.775	S	S	*	*			trans	62.5	154.6	165	47.5	0	0	0	0	121.2
272	P	33.1	Very low	33.7	Very low	124 Å²	124	145.5 Å²	145.5	81%	0.805	79%	0.789	S	S	*	*			trans	-106.9	170.1	-173.1	41.4	-35.1	0	0	0	115.1
273	I	34	Very low	33.3	Very low	165 Å²	165	147.2 Å²	147.2	85%	0.846	79%	0.793	S	S	*	*			trans	-129	135.9	163.5	-62.6	178.4	0	0	0	108.6
274	D	30.2	Very low	33.4	Very low	138 Å²	138	146.4 Å²	146.4	74%	0.738	79%	0.789	S	S	*	*			trans	-110.1	140.5	176.6	179.5	22.2	0	0	0	110.5
275	L	36.3	Very low	33.4	Very low	171 Å²	171	146.2 Å²	146.2	90%	0.895	79%	0.792	S	S	*	*			trans	-150.7	87.5	172.9	-94.3	178.4	0	0	0	109.9
276	S	32.9	Very low	33.2	Very low	83 Å²	83	144 Å²	144	58%	0.58	79%	0.789	S	S	*	*			trans	-78.7	140.2	178	62.6	0	0	0	0	113.6
277	Q	37.5	Very low	33.3	Very low	190 Å²	190	139.7 Å²	139.7	89%	0.888	78%	0.777	S	S	*	*			trans	-160.3	73.7	152.1	-119.7	164.7	60.5	0	0	115.7
278	N	35.9	Very low	33.5	Very low	156 Å²	156	140.1 Å²	140.1	83%	0.834	78%	0.779	S	S	*	*			trans	50.2	158.8	137.8	-74.4	-6.8	0	0	0	124.7
279	P	36.8	Very low	33	Very low	113 Å²	113	142.4 Å²	142.4	73%	0.734	79%	0.785	S	S	*	*			trans	-127	-179.1	-157.2	43.5	-28.1	0	0	0	115.6
280	I	33	Very low	33	Very low	168 Å²	168	142 Å²	142	86%	0.862	79%	0.787	S	S	*	*			trans	-134.9	142.9	156.7	-59.8	-178.8	0	0	0	108.4
281	A	28.6	Very low	32.5	Very low	89 Å²	89	141.7 Å²	141.7	74%	0.736	79%	0.791	S	S	*	*			trans	-127.8	163.6	177.1	0	0	0	0	0	111.1
282	I	34.5	Very low	32.6	Very low	160 Å²	160	142 Å²	142	82%	0.821	79%	0.794	S	S	*	*			trans	-161.3	140	162.2	-99	144.2	0	0	0	108.6
283	D	29.5	Very low	32.4	Very low	136 Å²	136	142 Å²	142	73%	0.727	80%	0.797	S	S	*	*			trans	-83.3	166.4	-177.2	-49.7	-88.5	0	0	0	113.9
284	N	33.8	Very low	32.3	Very low	143 Å²	143	139.3 Å²	139.3	77%	0.765	79%	0.792	S	S	*	*				172.7	142	104	-93.1	-70.4	0	0	0	116.6
285	S	34.2	Very low	32.4	Very low	107 Å²	107	141 Å²	141	75%	0.748	80%	0.798	S	S	*	*			trans	54.7	126.1	143.9	66.1	0	0	0	0	123.8
286	S	26.9	Very low	31.9	Very low	107 Å²	107	140 Å²	140	75%	0.748	79%	0.792	S	S	*	*			trans	-78.5	-162.6	150.3	61.1	0	0	0	0	110.5
287	P	35.2	Very low	31.8	Very low	102 Å²	102	139.1 Å²	139.1	66%	0.662	80%	0.795	S	S	*	*			cis	-140.7	-176	-1	35.3	-12.4	0	0	0	115.9
288	K	32.9	Very low	31.3	Very low	200 Å²	200	137 Å²	137	87%	0.87	79%	0.789	S	S	*	*				165	150.9	119.9	-89.8	175.6	-177.8	-178.5	0	114.7
289	E	26.1	Very low	31.2	Very low	186 Å²	186	135.5 Å²	135.5	87%	0.869	79%	0.785	S	S	*	*			trans	-97.9	155.4	174.6	-56.1	147.2	133.2	0	0	111.4
290	I	34.4	Very low	30.9	Very low	166 Å²	166	136.8 Å²	136.8	85%	0.851	79%	0.785	S	S	*	*			trans	-144.7	118.9	153.9	-59.5	-175.6	0	0	0	108.9
291	D	26.5	Very low	30.7	Very low	158 Å²	158	136.6 Å²	136.6	85%	0.845	78%	0.781	S	S	*	*			trans	-83.3	153.5	168.3	-91.7	-40.9	0	0	0	112.3
292	S	32.6	Very low	31	Very low	121 Å²	121	138.1 Å²	138.1	85%	0.846	78%	0.781	S	S	*	*			trans	-172.5	151.3	137.7	19.8	0	0	0	0	112.6
293	S	28.7	Very low	30.7	Very low	124 Å²	124	137.1 Å²	137.1	87%	0.867	78%	0.778	S	S	*	*			trans	-134.3	166.1	-166.8	32.6	0	0	0	0	113.6
294	S	31.5	Very low	30.8	Very low	107 Å²	107	138.1 Å²	138.1	75%	0.748	78%	0.782	S	S	*	*			trans	-146.8	-142.8	178	68.9	0	0	0	0	113.1
295	M	31.6	Very low	30.7	Very low	175 Å²	175	137.4 Å²	137.4	86%	0.862	78%	0.783	S	S	*	*			trans	-115.3	148.1	-155.2	-49.1	-175	-171.5	0	0	113.5
296	I	27.3	Very low	30.3	Very low	150 Å²	150	140.5 Å²	140.5	77%	0.769	79%	0.785	S	S	*	*			cis	85.4	129.3	22.3	-53.2	167.8	0	0	0	114.1	I298	I296-I298 HydrophobicContact CG2-CD1 3.77Å; I296-I298 HydrophobicContact CG2-CG1 4.33Å
297	G	29.9	Very low	30.4	Very low	63 Å²	63	141.2 Å²	141.2	65%	0.649	79%	0.79	S	S	*	*			trans	135.3	98.5	-173.5	0	0	0	0	0	108.7
298	I	28.3	Very low	29.9	Very low	146 Å²	146	143.5 Å²	143.5	75%	0.749	80%	0.797	S	S	*	*			cis	63.4	129.3	43.9	-40.1	167.5	0	0	0	109.9	I296	I296-I298 HydrophobicContact CG2-CD1 3.77Å; I296-I298 HydrophobicContact CG2-CG1 4.33Å
299	V	32.4	Very low	29.5	Very low	124 Å²	124	140 Å²	140	75%	0.752	80%	0.796	S	S	*	*			cis	-108.5	-153	12.9	-132.4	0	0	0	0	111.3
300	D	30.7	Very low	29.4	Very low	140 Å²	140	140.7 Å²	140.7	75%	0.749	80%	0.796	S	S	*	*			cis	-155.3	177	6.7	-136.4	-42.2	0	0	0	112.5
301	E	30	Very low	29.2	Very low	165 Å²	165	138 Å²	138	77%	0.771	79%	0.792	S	S	*	*			trans	-112.3	163.5	178.5	-62.8	-179.6	136.4	0	0	112
302	T	33.7	Very low	29.2	Very low	121 Å²	121	137.3 Å²	137.3	74%	0.742	79%	0.788	S	S	*	*				-178.7	139.2	74.1	29	0	0	0	0	114.8
303	D	29	Very low	28.8	Very low	138 Å²	138	138.2 Å²	138.2	74%	0.738	78%	0.779	S	S	*	*			trans	28.5	134.9	141.7	-66.2	-50.6	0	0	0	126.2
304	L	31.8	Very low	28.8	Very low	158 Å²	158	142.5 Å²	142.5	83%	0.827	78%	0.777	S	S	*	*				179.5	103.1	100	-99.7	159.4	0	0	0	115.7
305	V	30.9	Very low	28.4	Very low	128 Å²	128	143.5 Å²	143.5	78%	0.776	78%	0.778	S	S	*	*			trans	60.2	138.8	132.9	172.1	0	0	0	0	123.7
306	H	25.6	Very low	28.2	Very low	171 Å²	171	143.5 Å²	143.5	79%	0.792	78%	0.781	S	S	*	*			trans	-68.4	161.7	171.1	-67.2	-12.5	0	0	0	115.9
307	S	29.6	Very low	28.1	Very low	122 Å²	122	145.4 Å²	145.4	85%	0.853	78%	0.783	S	S	*	*				-154.4	144.3	120.9	51.6	0	0	0	0	113.5
308	N	23.5	Very low	27.8	Very low	150 Å²	150	154 Å²	154	80%	0.802	80%	0.796	S	S	*	*			trans	-98.2	150.1	167.3	-87	-78	0	0	0	109.2
309	C	25.6	Very low	27.9	Very low	128 Å²	128	152.2 Å²	152.2	87%	0.865	80%	0.797	S	S	*	*			trans	-153.8	155.8	145.5	-146.3	0	0	0	0	113.3
310	K	23.6	Very low	27.8	Very low	199 Å²	199	153.8 Å²	153.8	87%	0.865	79%	0.794	S	S	*	*			trans	-134.9	125.2	177.8	-70.6	178.4	179.1	174.6	0	110.8
311	S	31.3	Very low	28	Very low	109 Å²	109	152.4 Å²	152.4	76%	0.762	79%	0.792	S	S	*	*			trans	-163.6	128.6	154.6	35.3	0	0	0	0	107.5
312	N	24.9	Very low	28	Very low	144 Å²	144	149.7 Å²	149.7	77%	0.77	78%	0.783	S	S	*	*				75.3	117.4	50.1	-85	19.1	0	0	0	115.2
313	E	24.9	Very low	28.1	Very low	141 Å²	141	152 Å²	152	66%	0.659	79%	0.785	S	S	*	*			trans	67.7	151.9	163	-62.5	-178.8	-144.7	0	0	115.9
314	R	28.2	Very low	28.2	Very low	214 Å²	214	154.1 Å²	154.1	81%	0.808	79%	0.791	S	S	*	*			cis	-149.9	152.6	14.3	-150	166.4	-104.6	-172.1	-6.5	111.8
315	T	24.4	Very low	28.3	Very low	127 Å²	127	154.1 Å²	154.1	78%	0.779	79%	0.792	S	S	*	*			trans	-75.6	148.5	172	49	0	0	0	0	113.1
316	L	27.5	Very low	28.5	Very low	176 Å²	176	151.7 Å²	151.7	92%	0.921	78%	0.78	S	S	*	*			trans	-145	172	145.3	-134	94.7	0	0	0	111.5
317	K	24.1	Very low	28.9	Very low	189 Å²	189	150.4 Å²	150.4	82%	0.822	78%	0.779	S	S	*	*			trans	-131.7	169.4	-170.3	-64.5	179.2	175.9	-179.5	0	112
318	R	24.7	Very low	29	Very low	243 Å²	243	153 Å²	153	92%	0.917	78%	0.778	S	S	*	*			trans	107.9	147	165.3	-71.8	-179.8	156.1	175.9	-8.8	114.3
319	S	28.8	Very low	29.2	Very low	109 Å²	109	151.3 Å²	151.3	76%	0.762	77%	0.773	S	S	*	*			cis	-164	158.4	-8.6	37.8	0	0	0	0	112.7
320	K	31.5	Very low	29.5	Very low	158 Å²	158	153.3 Å²	153.3	69%	0.687	77%	0.774	S	S	*	*			trans	-80.1	164.7	161.2	-98.2	-175.4	137.6	-141.2	0	111.8	D322	K320-D322 IonicContact NZ-OD1 2.79Å; K320-D322 PolarHBondContact NZ-OD1 3.06Å
321	P	34.9	Very low	29.6	Very low	110 Å²	110	149.6 Å²	149.6	71%	0.714	77%	0.768	S	S	*	*				-120	170	89.6	40.2	-35.2	0	0	0	112.1
322	D	29.8	Very low	29.6	Very low	109 Å²	109	152.7 Å²	152.7	58%	0.583	77%	0.774	S	S	*	*			cis	80.2	140.8	23.4	-42.5	-40.2	0	0	0	111.1	K320	K320-D322 IonicContact NZ-OD1 2.79Å; K320-D322 PolarHBondContact NZ-OD1 3.06Å
323	E	35.3	Very low	29.9	Very low	168 Å²	168	155.4 Å²	155.4	79%	0.785	78%	0.779	S	S	*	*			cis	-139.7	148.9	29.4	-65.7	166.6	155.7	0	0	111.2
324	E	32	Very low	29.9	Very low	183 Å²	183	158.8 Å²	158.8	86%	0.855	79%	0.792	S	S	*	*				67	140.4	102.4	-57	-177.4	174.1	0	0	117.4
325	D	33	Very low	30	Very low	159 Å²	159	152.5 Å²	152.5	85%	0.85	79%	0.793	S	S	*	*			cis	-157.7	-144.6	-28.5	-156.6	46.3	0	0	0	106.3
326	S	35	Very low	30	Very low	77 Å²	77	157 Å²	157	54%	0.538	80%	0.796	S	S	.	*			cis	-156.8	173.7	-6.5	72.5	0	0	0	0	111.1
327	D	35.4	Very low	30.1	Very low	143 Å²	143	159.1 Å²	159.1	77%	0.765	80%	0.799	S	S	*	*			trans	57.4	148.8	159.2	-52.8	-48.4	0	0	0	121.1
328	E	31.3	Very low	30.3	Very low	177 Å²	177	155 Å²	155	83%	0.827	79%	0.789	S	S	*	*			cis	-144.2	131	7.5	-157.5	176.5	-161.9	0	0	113.8
329	V	27.9	Very low	30.4	Very low	115 Å²	115	153 Å²	153	70%	0.697	78%	0.782	S	S	*	*			trans	18.1	119.4	154.2	-171.6	0	0	0	0	122.4
330	L	30.5	Very low	30.3	Very low	170 Å²	170	157.3 Å²	157.3	89%	0.89	78%	0.781	S	S	*	*				-164	150	117.9	-108.4	168.9	0	0	0	111.8
331	T	26.9	Very low	30.4	Very low	120 Å²	120	153.7 Å²	153.7	74%	0.736	78%	0.776	S	S	*	*			trans	-135	138.3	-161.8	58.3	0	0	0	0	116.4
332	I	31.6	Very low	30	Very low	174 Å²	174	152.3 Å²	152.3	89%	0.892	78%	0.781	S	S	*	*			trans	-131.7	145.2	157.4	-62.3	-175.6	0	0	0	108.6
333	K	30.1	Very low	30	Very low	202 Å²	202	157 Å²	157	88%	0.878	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-88.8	131.5	-154.7	-62	165.3	-177.7	168.4	0	114
334	K	25.9	Very low	29.7	Very low	211 Å²	211	156.4 Å²	156.4	92%	0.917	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-96.5	117.9	158.8	-77.9	-176.1	176	175.8	0	110.8
335	G	29.1	Very low	29.4	Very low	82 Å²	82	155 Å²	155	85%	0.845	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-78	151.3	172.5	0	0	0	0	0	112.4
336	R	25.4	Very low	29.3	Very low	223 Å²	223	154.8 Å²	154.8	84%	0.842	79%	0.788	S	S	*	*			trans	-125.8	107.8	-167.1	-171.8	-171.3	-162	173.2	8.1	112	T338	R336-T338 HydrophobicContact CG-CG2 4.18Å
337	F	28.5	Very low	29	Very low	220 Å²	220	158.2 Å²	158.2	97%	0.965	79%	0.793	S	S	*	*			trans	-114	147.3	164.5	-91.6	-81.8	0	0	0	111.1
338	T	28.8	Very low	28.7	Very low	101 Å²	101	158.8 Å²	158.8	62%	0.62	80%	0.796	S	S	*	*			trans	-137.9	155.2	-166.8	68.7	0	0	0	0	113.9	R336	R336-T338 HydrophobicContact CG-CG2 4.18Å
339	R	27.8	Very low	28.4	Very low	203 Å²	203	156.2 Å²	156.2	77%	0.766	79%	0.792	S	S	*	*			trans	90.1	129.3	153.8	-78.2	-178.9	164.3	-179.2	-2.1	120.8
340	R	26.7	Very low	28.3	Very low	199 Å²	199	158.9 Å²	158.9	75%	0.751	80%	0.797	S	S	*	*			trans	74.9	102.7	144.2	-68.5	168	173.7	-179.5	-4.5	118.2
341	S	31.6	Very low	28	Very low	82 Å²	82	156 Å²	156	57%	0.573	79%	0.786	S	S	*	*				-171.6	116.6	95.7	46.6	0	0	0	0	113.7	R18	R18-S341 PolarHBondContact NH2-OG 3.3Å; R18-S341 VanDerWaalsContact NH2-OG 3.14Å
342	G	27.3	Very low	27.9	Very low	80 Å²	80	156.2 Å²	156.2	83%	0.825	79%	0.788	S	S	*	*			trans	68.8	68.2	147.4	0	0	0	0	0	120.2
343	F	30.6	Very low	27.8	Very low	209 Å²	209	155.2 Å²	155.2	92%	0.917	78%	0.782	S	S	*	*			trans	-82.8	137.2	151.4	-96.1	-95.1	0	0	0	110
344	I	28.6	Very low	27.6	Very low	155 Å²	155	149.9 Å²	149.9	80%	0.795	77%	0.771	S	S	*	*			trans	-91	106.1	163.3	-65.4	176	0	0	0	106.4	I346	I344-I346 HydrophobicContact CG2-CG1 4.37Å; I344-I346 PolarHBondContact O-N 3.02Å
345	E	26.5	Very low	27.7	Very low	153 Å²	153	145.5 Å²	145.5	72%	0.715	77%	0.767	S	S	*	*			trans	-74.4	89.9	175.9	-172.4	-179.8	-91.6	0	0	109	K347	E345-K347 VanDerWaalsContact C-N 3.32Å; E345-K347 HydrophobicContact CG-CG 4.29Å; E345-K347 PolarHBondContact O-N 3.23Å; E345-K347 WeakPolarHBondContact OE2-CE 3.46Å
346	I	30.5	Very low	27.6	Very low	155 Å²	155	148 Å²	148	80%	0.795	76%	0.761	S	S	*	*			trans	-71	98	162.8	-59.4	179.8	0	0	0	105.7	I344	I344-I346 HydrophobicContact CG2-CG1 4.37Å; I344-I346 PolarHBondContact O-N 3.02Å
347	K	28.3	Very low	28	Very low	149 Å²	149	145 Å²	145	65%	0.648	76%	0.759	S	S	*	*			trans	-58.6	146.7	178.4	-65.8	-172.5	174.1	-168	0	111.1	E345 V349	E345-K347 VanDerWaalsContact C-N 3.32Å; E345-K347 HydrophobicContact CG-CG 4.29Å; E345-K347 PolarHBondContact O-N 3.23Å; E345-K347 WeakPolarHBondContact OE2-CE 3.46Å; K347-V349 PolarHBondContact O-N 3.25Å; K347-V349 VanDerWaalsContact O-N 3.12Å
348	D	28	Very low	28.1	Very low	154 Å²	154	142.4 Å²	142.4	82%	0.824	75%	0.754	S	S	*	*			trans	-53.7	116	176	-51.7	-83.9	0	0	0	110.5	E350	D348-E350 PolarHBondContact O-N 3.5Å
349	V	26.2	Very low	28.3	Very low	123 Å²	123	142.5 Å²	142.5	75%	0.745	76%	0.756	S	S	*	*			trans	-88	93.2	163	-178.3	0	0	0	0	105.7	K347 V351	K347-V349 PolarHBondContact O-N 3.25Å; K347-V349 VanDerWaalsContact O-N 3.12Å; V349-V351 HydrophobicContact CG1-CG2 3.91Å; V349-V351 PolarHBondContact O-N 3.48Å
350	E	24.8	Very low	28.7	Very low	172 Å²	172	137.5 Å²	137.5	80%	0.804	75%	0.75	S	S	*	*			trans	-60.8	90.2	165.6	-71	-173.9	127.9	0	0	108.9	D348 T352	D348-E350 PolarHBondContact O-N 3.5Å; E350-T352 VanDerWaalsContact C-N 3.27Å; E350-T352 PolarHBondContact O-N 2.89Å
351	V	25.4	Very low	28.7	Very low	109 Å²	109	135.4 Å²	135.4	66%	0.661	75%	0.754	S	S	*	*			trans	-76.4	89.5	165.1	-175	0	0	0	0	106.6	V349 I353	V349-V351 HydrophobicContact CG1-CG2 3.91Å; V349-V351 PolarHBondContact O-N 3.48Å; V351-I353 HydrophobicContact CG1-CG1 3.96Å; V351-I353 PolarHBondContact O-N 2.9Å
352	T	24.2	Very low	28.7	Very low	125 Å²	125	139.1 Å²	139.1	77%	0.767	77%	0.766	S	S	*	*			trans	-63.2	88	167.9	51.8	0	0	0	0	109.1	E350 S354	E350-T352 VanDerWaalsContact C-N 3.27Å; E350-T352 PolarHBondContact O-N 2.89Å; T352-S354 PolarHBondContact O-N 2.95Å; T352-S354 VanDerWaalsContact O-N 3.12Å
353	I	28.9	Very low	28.7	Very low	152 Å²	152	140.8 Å²	140.8	78%	0.779	77%	0.765	S	S	*	*			trans	-70.8	104.6	166.8	-58.4	-178.8	0	0	0	106.1	V351 S355	V351-I353 HydrophobicContact CG1-CG1 3.96Å; V351-I353 PolarHBondContact O-N 2.9Å; I353-S355 PolarHBondContact O-N 3.16Å
354	S	26.9	Very low	28.7	Very low	90 Å²	90	137.8 Å²	137.8	63%	0.629	76%	0.757	S	S	*	*			trans	-55.9	131.8	-179.5	47.9	0	0	0	0	111.4	T352 D356	T352-S354 PolarHBondContact O-N 2.95Å; T352-S354 VanDerWaalsContact O-N 3.12Å; S354-D356 PolarHBondContact O-N 3.42Å
355	S	26.9	Very low	28.9	Very low	120 Å²	120	137.9 Å²	137.9	84%	0.839	76%	0.759	S	S	*	*	S	Bend	trans	-76.2	68.5	-179	57.1	0	0	0	0	112.2	I353	I353-S355 PolarHBondContact O-N 3.16Å
356	D	28.3	Very low	28.9	Very low	135 Å²	135	138.1 Å²	138.1	72%	0.722	77%	0.765	S	S	*	*			trans	-144.3	168.5	-179.4	-92	-57.9	0	0	0	111.7	S354	S354-D356 PolarHBondContact O-N 3.42Å
357	I	33.8	Very low	29	Very low	158 Å²	158	136 Å²	136	81%	0.81	76%	0.76	S	S	*	*			trans	74.5	68.3	178.4	-41.2	175.3	0	0	0	114.3
358	I	29.5	Very low	29.2	Very low	167 Å²	167	137.4 Å²	137.4	86%	0.856	77%	0.769	S	S	*	*			trans	-93.3	127.4	141.7	-62.3	172.3	0	0	0	107.2
359	P	34.4	Very low	29.4	Very low	102 Å²	102	139.3 Å²	139.3	66%	0.662	77%	0.771	S	S	*	*			trans	-134.9	143.5	133.8	35.9	-26.4	0	0	0	112.7
360	P	34.6	Very low	29.9	Very low	99 Å²	99	139.6 Å²	139.6	64%	0.643	77%	0.768	S	S	*	*			trans	-91.1	170.7	-178.4	37.6	-37.1	0	0	0	113.8
361	N	28.5	Very low	30.9	Very low	154 Å²	154	137.7 Å²	137.7	82%	0.824	76%	0.763	S	S	*	*			trans	58.3	86.8	155.2	-59.9	-18	0	0	0	118.5
362	I	31.6	Very low	31.9	Very low	160 Å²	160	141 Å²	141	82%	0.821	77%	0.769	S	S	*	*			trans	-129.7	120.3	146	-61.5	-177.5	0	0	0	109.1	I364	I362-I364 HydrophobicContact CG2-CD1 4.3Å; I362-I364 HydrophobicContact CG2-CG1 4.21Å
363	S	26.2	Very low	32.8	Very low	116 Å²	116	137.8 Å²	137.8	81%	0.811	76%	0.755	S	S	*	*			trans	-110.9	114.5	178.8	55.6	0	0	0	0	110.9
364	I	30.8	Very low	33.5	Very low	146 Å²	146	136.2 Å²	136.2	75%	0.749	75%	0.748	S	S	*	*			trans	-135.4	131.6	171	-58.6	-179.4	0	0	0	108.4	I362	I362-I364 HydrophobicContact CG2-CD1 4.3Å; I362-I364 HydrophobicContact CG2-CG1 4.21Å
365	N	32.3	Very low	34.5	Very low	157 Å²	157	136.7 Å²	136.7	84%	0.84	75%	0.747	S	S	*	*	P	Polyproline II helix	trans	-79.3	147.4	-172.6	-63.6	-61.2	0	0	0	113
366	L	27.6	Very low	35.3	Very low	158 Å²	158	135.8 Å²	135.8	83%	0.827	73%	0.732	S	S	*	*	P	Polyproline II helix	trans	-84.8	146.1	164.4	-74	79.6	0	0	0	110.4
367	P	31.8	Very low	36	Very low	109 Å²	109	134.1 Å²	134.1	71%	0.708	72%	0.723	S	S	*	*	P	Polyproline II helix	trans	-83.9	140.7	152.3	32.7	-28.2	0	0	0	110.7
368	E	32.1	Very low	36.6	Very low	179 Å²	179	133.8 Å²	133.8	84%	0.836	72%	0.717	S	S	*	*	P	Polyproline II helix	trans	-71.8	148	-176.3	-54.9	166.2	131.2	0	0	112.7
369	F	31.9	Very low	37.4	Very low	194 Å²	194	133.9 Å²	133.9	85%	0.851	71%	0.712	S	S	*	*			trans	-138.4	123.5	167.9	-100.6	-84	0	0	0	113.4
370	N	37.4	Very low	37.7	Very low	130 Å²	130	137.6 Å²	137.6	70%	0.695	72%	0.718	S	S	*	*			trans	-76	167.8	-169.7	-74.5	-75.6	0	0	0	115.2	K372 A373	N370-K372 PolarHBondContact O-N 2.81Å; N370-A373 PolarHBondContact O-N 3.39Å
371	D	45.4	Very low	37.9	Very low	131 Å²	131	139.3 Å²	139.3	70%	0.701	72%	0.72	S	S	*	*	T	Hydrogen-bonded Turn	trans	-48.7	-13.2	-169	-59.9	-68.8	0	0	0	118.8	A373 L374	D371-A373 PolarHBondContact O-N 3.41Å; D371-A373 VanDerWaalsContact O-N 3.15Å; D371-L374 PolarHBondContact O-N 2.98Å; D371-L374 VanDerWaalsContact O-N 3.13Å
372	K	46.5	Very low	38.2	Very low	179 Å²	179	140.4 Å²	140.4	78%	0.778	72%	0.718	S	S	*	*	H	α-helix	trans	-62.4	-20	176.6	-69.6	-179.6	178.7	175.2	0	113	N370 N376	N370-K372 PolarHBondContact O-N 2.81Å; K372-N376 PolarHBondContact O-ND2 3.12Å
373	A	43.7	Very low	38.3	Very low	58 Å²	58	140.2 Å²	140.2	48%	0.479	72%	0.717	S	S	.	*	H	α-helix	trans	-67.1	-41.4	172.8	0	0	0	0	0	112.8	N370 D371 V375 N376 L377	N370-A373 PolarHBondContact O-N 3.39Å; D371-A373 PolarHBondContact O-N 3.41Å; D371-A373 VanDerWaalsContact O-N 3.15Å; A373-V375 PolarHBondContact O-N 2.71Å; A373-N376 PolarHBondContact O-N 3.03Å; A373-L377 PolarHBondContact O-N 3.39Å
374	L	43.9	Very low	38.5	Very low	119 Å²	119	143.2 Å²	143.2	62%	0.623	72%	0.718	S	S	*	*	H	α-helix	trans	-67.6	-40.2	-174.2	-150.3	83.4	0	0	0	112	D371 N376 L377 H378	D371-L374 PolarHBondContact O-N 2.98Å; D371-L374 VanDerWaalsContact O-N 3.13Å; L374-N376 VanDerWaalsContact C-N 3.32Å; L374-N376 PolarHBondContact O-N 2.82Å; L374-L377 WeakPolarHBondContact O-CB 3.48Å; L374-L377 PolarHBondContact O-N 3.24Å; L374-H378 PolarHBondContact O-N 3.05Å
375	V	47.9	Very low	38.6	Very low	100 Å²	100	143.2 Å²	143.2	61%	0.606	72%	0.72	S	S	*	*	H	α-helix	trans	-65.1	-35.5	177.1	-177.5	0	0	0	0	111.6	A373 H378 K379	A373-V375 PolarHBondContact O-N 2.71Å; V375-H378 PolarHBondContact O-N 3.47Å; V375-K379 PolarHBondContact O-N 3.37Å
376	N	44.1	Very low	38.6	Very low	101 Å²	101	141.7 Å²	141.7	54%	0.54	71%	0.711	S	S	.	*	H	α-helix	trans	-74.2	-31.2	175.4	-78.9	-30	0	0	0	112.8	K372 A373 L374 K379 K380	K372-N376 PolarHBondContact O-ND2 3.12Å; A373-N376 PolarHBondContact O-N 3.03Å; L374-N376 VanDerWaalsContact C-N 3.32Å; L374-N376 PolarHBondContact O-N 2.82Å; N376-K379 PolarHBondContact O-N 2.94Å; N376-K380 PolarHBondContact O-N 2.72Å
377	L	42.6	Very low	38.9	Very low	99 Å²	99	141.9 Å²	141.9	52%	0.518	71%	0.713	S	S	.	*	H	α-helix	trans	-64.5	-43.2	169.1	-89.2	161.1	0	0	0	111.7	A373 L374 K379 K380 L381	A373-L377 PolarHBondContact O-N 3.39Å; L374-L377 WeakPolarHBondContact O-CB 3.48Å; L374-L377 PolarHBondContact O-N 3.24Å; L377-K379 PolarHBondContact O-N 2.99Å; L377-K380 PolarHBondContact O-N 2.77Å; L377-L381 PolarHBondContact O-N 3.19Å; L377-L381 VanDerWaalsContact O-N 3.14Å
378	H	45	Very low	39	Very low	151 Å²	151	144 Å²	144	70%	0.699	71%	0.712	S	S	*	*	H	α-helix	trans	-63.1	-24.2	173.3	-108.8	-82.9	0	0	0	113.8	L374 V375	L374-H378 PolarHBondContact O-N 3.05Å; V375-H378 PolarHBondContact O-N 3.47Å
379	K	46.3	Very low	38.7	Very low	169 Å²	169	143.5 Å²	143.5	74%	0.735	71%	0.709	S	S	*	*	H	α-helix	trans	-80.9	-29.9	170	-97.4	-174.9	172.7	-177	0	114.1	V375 N376 L377	V375-K379 PolarHBondContact O-N 3.37Å; N376-K379 PolarHBondContact O-N 2.94Å; L377-K379 PolarHBondContact O-N 2.99Å
380	K	42.1	Very low	38.6	Very low	181 Å²	181	140.1 Å²	140.1	79%	0.787	70%	0.704	S	S	*	*	H	α-helix	trans	-85.3	-1.9	177.7	-80	-166.8	169.4	-167.9	0	114.9	N376 L377	N376-K380 PolarHBondContact O-N 2.72Å; L377-K380 PolarHBondContact O-N 2.77Å
381	L	37.7	Very low	38	Very low	134 Å²	134	142.3 Å²	142.3	70%	0.702	71%	0.707	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.3	12.7	176.6	-73.2	169.5	0	0	0	113.7	L377 I383	L377-L381 PolarHBondContact O-N 3.19Å; L377-L381 VanDerWaalsContact O-N 3.14Å; L381-I383 PolarHBondContact O-N 3.11Å
382	K	34.4	Very low	37.2	Very low	178 Å²	178	140.7 Å²	140.7	77%	0.774	71%	0.705	S	S	*	*	S	Bend	trans	-75.1	111.1	152.3	-77.6	-163.1	169.4	-161.6	0	107.5
383	I	34.2	Very low	36.2	Very low	155 Å²	155	141.1 Å²	141.1	80%	0.795	71%	0.71	S	S	*	*			trans	-65.2	130.3	167.9	-63.2	169.7	0	0	0	106.7	L381	L381-I383 PolarHBondContact O-N 3.11Å
384	E	31.7	Very low	35.6	Very low	179 Å²	179	146.2 Å²	146.2	84%	0.836	73%	0.729	S	S	*	*			trans	-86.2	126.1	170.5	-66.8	175	136.1	0	0	107.4	D386	E384-D386 PolarHBondContact O-N 3.18Å
385	D	31.6	Very low	34.9	Very low	147 Å²	147	148.2 Å²	148.2	79%	0.786	74%	0.738	S	S	*	*			trans	-72.4	106.6	175.4	-70.9	-60.3	0	0	0	109	D387	D385-D387 VanDerWaalsContact C-N 3.32Å; D385-D387 PolarHBondContact O-N 3.38Å
386	D	33.1	Very low	33.8	Very low	124 Å²	124	147.9 Å²	147.9	66%	0.663	75%	0.746	S	S	*	*			trans	-81.4	75.9	-173.5	-157	27.3	0	0	0	110.1	E384 K388	E384-D386 PolarHBondContact O-N 3.18Å; D386-K388 PolarHBondContact O-N 2.87Å; D386-K388 IonicContact OD2-NZ 2.68Å; D386-K388 PolarHBondContact OD2-NZ 3.36Å
387	D	33	Very low	33.1	Very low	162 Å²	162	148.4 Å²	148.4	87%	0.866	76%	0.758	S	S	*	*			trans	-59.2	87.2	-179.1	-97.2	-31.6	0	0	0	112.4	D385	D385-D387 VanDerWaalsContact C-N 3.32Å; D385-D387 PolarHBondContact O-N 3.38Å
388	K	34.1	Very low	32.3	Very low	155 Å²	155	149.8 Å²	149.8	67%	0.674	77%	0.77	S	S	*	*			trans	-91.5	102.5	172.7	-79.4	177.8	172.1	117	0	110.8	D386 V390	D386-K388 PolarHBondContact O-N 2.87Å; D386-K388 IonicContact OD2-NZ 2.68Å; D386-K388 PolarHBondContact OD2-NZ 3.36Å; K388-V390 PolarHBondContact O-N 3.36Å
389	E	26.7	Very low	31.6	Very low	167 Å²	167	151.5 Å²	151.5	78%	0.78	78%	0.779	S	S	*	*			trans	-50.2	104.7	172.4	-71.1	-165.9	128.1	0	0	112.1	K391	E389-K391 PolarHBondContact O-N 2.89Å
390	V	30.1	Very low	30.6	Very low	124 Å²	124	152.3 Å²	152.3	75%	0.752	79%	0.785	S	S	*	*			trans	-87.8	93.1	163.7	-178.3	0	0	0	0	108.2	K388 C392	K388-V390 PolarHBondContact O-N 3.36Å; V390-C392 PolarHBondContact O-N 2.92Å
391	K	24.6	Very low	29.8	Very low	175 Å²	175	149.2 Å²	149.2	76%	0.761	79%	0.786	S	S	*	*			trans	-65.3	98.3	169.1	-77.9	-177.3	178	174.1	0	110.3	E389	E389-K391 PolarHBondContact O-N 2.89Å
392	C	27.2	Very low	29.4	Very low	97 Å²	97	148.6 Å²	148.6	66%	0.655	79%	0.79	S	S	*	*			trans	-96.3	113.4	160.2	-73.9	0	0	0	0	109.4	V390 L394	V390-C392 PolarHBondContact O-N 2.92Å; C392-L394 PolarHBondContact O-N 2.62Å
393	E	26.8	Very low	28.9	Very low	189 Å²	189	150 Å²	150	88%	0.883	80%	0.796	S	S	*	*			trans	-69.9	112	176.9	-61.6	-178.4	140	0	0	110.4	I395	E393-I395 PolarHBondContact O-N 2.85Å
394	L	29.8	Very low	28.7	Very low	165 Å²	165	150.4 Å²	150.4	86%	0.864	80%	0.798	S	S	*	*			trans	-77.1	109.6	170.4	-93.5	84	0	0	0	110.2	C392 A396	C392-L394 PolarHBondContact O-N 2.62Å; L394-A396 PolarHBondContact O-N 2.89Å
395	I	29.5	Very low	28.4	Very low	160 Å²	160	153.2 Å²	153.2	82%	0.821	80%	0.801	S	S	*	*			trans	-69.2	101.4	163.9	-60.6	176.8	0	0	0	108.1	E393 S397	E393-I395 PolarHBondContact O-N 2.85Å; I395-S397 PolarHBondContact O-N 2.72Å
396	A	25.7	Very low	28.1	Very low	94 Å²	94	153.9 Å²	153.9	78%	0.777	81%	0.805	S	S	*	*			trans	-67.6	123.8	177.9	0	0	0	0	0	111.2	L394	L394-A396 PolarHBondContact O-N 2.89Å
397	S	29	Very low	27.9	Very low	112 Å²	112	153.6 Å²	153.6	78%	0.783	81%	0.812	S	S	*	*			trans	-133.8	102.2	170.6	46.9	0	0	0	0	110.5	I395	I395-S397 PolarHBondContact O-N 2.72Å
398	T	25.1	Very low	27.7	Very low	127 Å²	127	152.3 Å²	152.3	78%	0.779	81%	0.81	S	S	*	*			trans	-76.6	123.4	-173.8	-49.6	0	0	0	0	111.8
399	Q	30.9	Very low	27.4	Very low	188 Å²	188	152.5 Å²	152.5	88%	0.879	82%	0.819	S	S	*	*			trans	-135.8	138.9	160	-69.3	-163.9	-1.2	0	0	111.3
400	Q	25.7	Very low	27.5	Very low	185 Å²	185	148.2 Å²	148.2	86%	0.864	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-97.4	135.1	-176.7	-64.9	169.7	-18.1	0	0	110.4
401	S	25.4	Very low	27.7	Very low	117 Å²	117	149.9 Å²	149.9	82%	0.818	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-97.5	120.1	171.4	47.3	0	0	0	0	111
402	P	29.3	Very low	28	Very low	120 Å²	120	150 Å²	150	78%	0.779	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-81.3	151.9	-177.7	31.8	-34.8	0	0	0	112.9
403	K	23.8	Very low	28	Very low	208 Å²	208	149.7 Å²	149.7	90%	0.904	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-83.8	132.5	175.6	-59.8	172.8	-177.8	174.7	0	110.6
404	I	29.5	Very low	28.2	Very low	164 Å²	164	146.5 Å²	146.5	84%	0.841	80%	0.797	S	S	*	*			trans	-127.5	146.3	165.8	-63.3	-176.7	0	0	0	108.9
405	R	26.7	Very low	28.1	Very low	238 Å²	238	148.6 Å²	148.6	90%	0.898	79%	0.794	S	S	*	*			trans	-99.2	161.5	-175	-78.7	176.1	165.2	167.9	-6.2	112.5
406	N	24.8	Very low	28	Very low	160 Å²	160	147.7 Å²	147.7	86%	0.856	79%	0.79	S	S	*	*			trans	-58.7	146.3	177.8	-49.1	-4.5	0	0	0	114.2
407	S	29.4	Very low	28.2	Very low	118 Å²	118	149.3 Å²	149.3	83%	0.825	80%	0.796	S	S	*	*			trans	-150	133.2	135.5	57.8	0	0	0	0	108.2
408	V	27.4	Very low	28.1	Very low	136 Å²	136	152.3 Å²	152.3	82%	0.824	80%	0.803	S	S	*	*			trans	-136.2	122.5	179.7	174.3	0	0	0	0	108.7
409	D	29	Very low	28.2	Very low	159 Å²	159	150.9 Å²	150.9	85%	0.85	80%	0.799	S	S	*	*			trans	-178.8	148.8	161.9	-87.6	-36.1	0	0	0	106.2
410	S	27.5	Very low	28.4	Very low	76 Å²	76	147.2 Å²	147.2	53%	0.531	79%	0.791	S	S	.	*			cis	-167.5	175.5	-16.4	50.2	0	0	0	0	108.7
411	H	33.7	Very low	28.7	Very low	160 Å²	160	144.6 Å²	144.6	74%	0.741	78%	0.783	S	S	*	*			trans	74.2	129.1	174.9	-49.1	-66	0	0	0	115.9
412	H	31.4	Very low	29.2	Very low	178 Å²	178	144.7 Å²	144.7	82%	0.824	78%	0.78	S	S	*	*				71.3	134	62.4	-75.5	-21.9	0	0	0	113.9
413	S	28.3	Very low	29.7	Very low	90 Å²	90	147.5 Å²	147.5	63%	0.629	78%	0.781	S	S	*	*			cis	-161.9	-179.1	-6	57.6	0	0	0	0	112.5
414	D	29.4	Very low	30.4	Very low	122 Å²	122	147 Å²	147	65%	0.652	77%	0.773	S	S	*	*			trans	78.5	126.2	153.8	-73.8	-76.1	0	0	0	124.1
415	R	28.9	Very low	31.3	Very low	209 Å²	209	145 Å²	145	79%	0.789	76%	0.763	S	S	*	*			trans	72.2	118.7	140.9	-66.1	178	-168.6	-151.8	-1.3	123.1
416	D	26.9	Very low	32.8	Very low	141 Å²	141	134.5 Å²	134.5	75%	0.754	73%	0.726	S	S	*	*				56	85.8	128.3	-51.4	-30.4	0	0	0	120.2
417	S	29.1	Very low	34.4	Very low	127 Å²	127	131.6 Å²	131.6	89%	0.888	72%	0.719	S	S	*	*			trans	-161.4	146.4	143.7	-90.3	0	0	0	0	114.2	S419	S417-S419 PolarHBondContact O-N 2.78Å
418	N	28.4	Very low	36	Very low	175 Å²	175	127 Å²	127	94%	0.936	69%	0.686	S	S	*	*			trans	-81.1	110.3	178.2	-78.1	-88.4	0	0	0	111.7
419	S	27.5	Very low	38.1	Very low	98 Å²	98	123 Å²	123	69%	0.685	67%	0.671	S	S	*	*			trans	-157.7	130.4	158.5	-168.9	0	0	0	0	111.9	S417 D421	S417-S419 PolarHBondContact O-N 2.78Å; S419-D421 PolarHBondContact O-N 3.07Å
420	P	34.8	Very low	40.6	Very low	111 Å²	111	116 Å²	116	72%	0.721	63%	0.634	S	S	*	*			trans	-83	98.6	173.3	32.5	-31.3	0	0	0	110.5	P422	P420-P422 WeakPolarHBondContact O-CD 3.4Å
421	D	31.1	Very low	42.9	Very low	130 Å²	130	114.7 Å²	114.7	70%	0.695	62%	0.623	S	S	*	*			trans	-73.8	116.5	-175.8	-142.1	-19.4	0	0	0	111.6	S419 K423	S419-D421 PolarHBondContact O-N 3.07Å; D421-K423 PolarHBondContact O-N 3.5Å
422	P	37.6	Very low	45.1	Very low	118 Å²	118	112 Å²	112	77%	0.766	61%	0.611	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80	29.4	-164	33.5	-38.2	0	0	0	114.5	P420	P420-P422 WeakPolarHBondContact O-CD 3.4Å
423	K	38.7	Very low	47.5	Very low	180 Å²	180	105.1 Å²	105.1	78%	0.783	59%	0.588	S	S	*	*	T	Hydrogen-bonded Turn	trans	-131	0.3	-170.5	-69.5	-172.8	177.9	179	0	116.4	D421 L425	D421-K423 PolarHBondContact O-N 3.5Å; K423-L425 PolarHBondContact O-N 2.86Å
424	R	38.9	Very low	50.3	Low	197 Å²	197	100.8 Å²	100.8	74%	0.743	56%	0.558	S	S	*	*			trans	-79.3	105.4	167.3	-74.3	-169.8	176.8	-164.8	-0.5	110.6
425	L	49	Very low	53.2	Low	122 Å²	122	95 Å²	95	64%	0.639	53%	0.527	S	S	*	.	B	Isolated β-bridge	trans	-74.3	136.5	161.8	-86.5	66.3	0	0	0	108.5	K423	K423-L425 PolarHBondContact O-N 2.86Å
426	S	56.8	Low	56	Low	17 Å²	17	87.4 Å²	87.4	12%	0.119	51%	0.506	C	S	.	.			trans	-71.8	166.9	165.3	68.3	0	0	0	0	110.7	T428 G429 I430	S426-T428 PolarHBondContact O-N 3.17Å; S426-T428 PolarHBondContact OG-N 3.02Å; S426-T428 PolarHBondContact OG-OG1 2.97Å; S426-G429 PolarHBondContact O-N 3.02Å; S426-I430 WeakPolarHBondContact CB-O 3.41Å; S426-I430 PolarHBondContact N-O 3.1Å; S426-I430 PolarHBondContact OG-O 3.12Å
427	S	59.1	Low	58.8	Low	100 Å²	100	81.1 Å²	81.1	70%	0.699	47%	0.474	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53	-18.4	172.4	51.8	0	0	0	0	114.4
428	T	62.6	Low	61.6	Low	22 Å²	22	75 Å²	75	14%	0.135	43%	0.431	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.2	-5.9	-180	72.6	0	0	0	0	114.4	S426 I430 F435 Q452 Y455 M456	S426-T428 PolarHBondContact O-N 3.17Å; S426-T428 PolarHBondContact OG-N 3.02Å; S426-T428 PolarHBondContact OG-OG1 2.97Å; T428-I430 VanDerWaalsContact C-N 3.25Å; T428-I430 WeakPolarHBondContact OG1-CB 3.36Å; T428-I430 PolarHBondContact OG1-N 3.23Å; T428-F435 HydrophobicContact CG2-CZ 4.37Å; T428-Q452 HydrophobicContact CG2-CG 4.2Å; T428-Y455 HydrophobicContact CG2-CD1 4.22Å; T428-Y455 HydrophobicContact CG2-CE1 4.3Å; T428-M456 HydrophobicContact CG2-CG 3.56Å; T428-M456 HydrophobicContact CG2-SD 3.74Å
429	G	72.5	Confident	64.4	Low	50 Å²	50	66.7 Å²	66.7	52%	0.515	39%	0.387	S	S	.	.	S	Bend	trans	82	-6	-169.7	0	0	0	0	0	114.4	S426	S426-G429 PolarHBondContact O-N 3.02Å
430	I	80.1	Confident	67	Low	14 Å²	14	63.1 Å²	63.1	7%	0.072	37%	0.365	C	S	.	.	S	Bend	trans	-95.1	141.8	-178.5	-60.5	-175.4	0	0	0	110.2	V244 A248 S426 T428 E432 V434 F435 Y455	V244-I430 HydrophobicContact CG1-CD1 3.49Å; V244-I430 VanDerWaalsContact CG1-CD1 3.49Å; A248-I430 HydrophobicContact CB-CD1 4.3Å; A248-I430 HydrophobicContact CB-CG1 4.45Å; A248-I430 HydrophobicContact CB-CG2 3.95Å; S426-I430 WeakPolarHBondContact CB-O 3.41Å; S426-I430 PolarHBondContact N-O 3.1Å; S426-I430 PolarHBondContact OG-O 3.12Å; T428-I430 VanDerWaalsContact C-N 3.25Å; T428-I430 WeakPolarHBondContact OG1-CB 3.36Å; T428-I430 PolarHBondContact OG1-N 3.23Å; I430-E432 PolarHBondContact O-N 2.9Å; I430-V434 HydrophobicContact CG2-CB 3.76Å; I430-V434 HydrophobicContact CG2-CG1 3.96Å; I430-V434 HydrophobicContact CG2-CG2 3.86Å; I430-F435 HydrophobicContact CB-CE2 3.99Å; I430-F435 HydrophobicContact CB-CZ 4.29Å; I430-F435 HydrophobicContact CG2-CE2 3.96Å; I430-F435 HydrophobicContact CG2-CZ 4.33Å; I430-Y455 HydrophobicContact CD1-CE1 3.99Å; I430-Y455 HydrophobicContact CD1-CE2 4.44Å; I430-Y455 WeakPolarHBondContact CD1-OH 3.39Å
431	P	77.5	Confident	69.3	Low	47 Å²	47	58.1 Å²	58.1	31%	0.305	33%	0.333	S	S	.	.	B	Isolated β-bridge	trans	-60.3	132.7	174.7	-22.3	33.3	0	0	0	111.9	G433 V434	P431-G433 PolarHBondContact O-N 2.66Å; P431-G433 VanDerWaalsContact O-N 3.13Å; P431-V434 HydrophobicContact CB-CG2 4.33Å; P431-V434 VanDerWaalsContact O-CB 3.31Å; P431-V434 WeakPolarHBondContact O-CB 3.4Å; P431-V434 PolarHBondContact O-N 2.95Å
432	E	78.3	Confident	71.7	Confident	104 Å²	104	52.4 Å²	52.4	49%	0.486	30%	0.302	S	S	.	.	H	α-helix	trans	-54.6	-35.8	-176.7	-170.4	175	-179.5	0	0	113.1	I430 V434 F435 S436	I430-E432 PolarHBondContact O-N 2.9Å; E432-V434 PolarHBondContact O-N 3.27Å; E432-V434 VanDerWaalsContact O-N 3.15Å; E432-F435 PolarHBondContact O-N 3.25Å; E432-F435 VanDerWaalsContact O-N 3.13Å; E432-S436 PolarHBondContact O-N 3.26Å
433	G	82.3	Confident	73.7	Confident	33 Å²	33	48.1 Å²	48.1	34%	0.34	28%	0.279	S	S	.	.	H	α-helix	trans	-60.4	-20.6	175.5	0	0	0	0	0	115.4	W251 P431 A437	W251-G433 WeakPolarHBondContact CH2-O 3.48Å; P431-G433 PolarHBondContact O-N 2.66Å; P431-G433 VanDerWaalsContact O-N 3.13Å; G433-A437 WeakPolarHBondContact O-CB 3.47Å; G433-A437 PolarHBondContact O-N 3.3Å
434	V	88.1	Confident	75.3	Confident	0 Å²	0	41.3 Å²	41.3	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-66.2	-46.5	173.7	172.6	0	0	0	0	110.4	V247 A248 W251 I430 P431 E432 A437 I438	V247-V434 HydrophobicContact CB-CG1 4.28Å; V247-V434 HydrophobicContact CG1-CG1 3.95Å; A248-V434 HydrophobicContact CB-CG2 4.44Å; W251-V434 HydrophobicContact CB-CG2 4.45Å; W251-V434 HydrophobicContact CD2-CG2 3.61Å; W251-V434 HydrophobicContact CE3-CG2 3.74Å; W251-V434 HydrophobicContact CG-CG2 3.94Å; W251-V434 HydrophobicContact CZ2-CG2 4.46Å; W251-V434 HydrophobicContact CZ3-CG2 4.23Å; I430-V434 HydrophobicContact CG2-CB 3.76Å; I430-V434 HydrophobicContact CG2-CG1 3.96Å; I430-V434 HydrophobicContact CG2-CG2 3.86Å; P431-V434 HydrophobicContact CB-CG2 4.33Å; P431-V434 VanDerWaalsContact O-CB 3.31Å; P431-V434 WeakPolarHBondContact O-CB 3.4Å; P431-V434 PolarHBondContact O-N 2.95Å; E432-V434 PolarHBondContact O-N 3.27Å; E432-V434 VanDerWaalsContact O-N 3.15Å; V434-A437 PolarHBondContact O-N 3.02Å; V434-I438 HydrophobicContact CG1-CD1 3.77Å; V434-I438 VanDerWaalsContact O-CG1 3.3Å; V434-I438 WeakPolarHBondContact O-CG1 3.43Å; V434-I438 PolarHBondContact O-N 3.47Å
435	F	89.9	Confident	76.8	Confident	0 Å²	0	34.5 Å²	34.5	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-67	-47.4	179.7	-63.5	-75.4	0	0	0	110.9	V244 T428 I430 E432 A437 I438 A439 L451 Q452 Y455	V244-F435 HydrophobicContact CG1-CE1 3.8Å; V244-F435 HydrophobicContact CG1-CZ 4.03Å; V244-F435 HydrophobicContact CG2-CE1 4.18Å; T428-F435 HydrophobicContact CG2-CZ 4.37Å; I430-F435 HydrophobicContact CB-CE2 3.99Å; I430-F435 HydrophobicContact CB-CZ 4.29Å; I430-F435 HydrophobicContact CG2-CE2 3.96Å; I430-F435 HydrophobicContact CG2-CZ 4.33Å; E432-F435 PolarHBondContact O-N 3.25Å; E432-F435 VanDerWaalsContact O-N 3.13Å; F435-A437 VanDerWaalsContact C-N 3.3Å; F435-A437 PolarHBondContact O-N 2.68Å; F435-I438 PolarHBondContact O-N 2.79Å; F435-A439 VanDerWaalsContact O-CB 3.26Å; F435-A439 WeakPolarHBondContact O-CB 3.33Å; F435-A439 PolarHBondContact O-N 3.19Å; F435-L451 HydrophobicContact CB-CD2 4.29Å; F435-L451 HydrophobicContact CD1-CD2 4.15Å; F435-L451 HydrophobicContact CD1-CG 4.24Å; F435-L451 WeakPolarHBondContact O-CD2 3.49Å; F435-Q452 HydrophobicContact CD1-CB 4.01Å; F435-Q452 HydrophobicContact CD1-CG 4.48Å; F435-Q452 HydrophobicContact CD2-CB 4.36Å; F435-Q452 HydrophobicContact CD2-CG 4.25Å; F435-Q452 HydrophobicContact CE1-CB 4.19Å; F435-Q452 HydrophobicContact CE1-CG 4.28Å; F435-Q452 HydrophobicContact CE2-CG 4.04Å; F435-Q452 HydrophobicContact CG-CB 4.1Å; F435-Q452 HydrophobicContact CG-CG 4.47Å; F435-Q452 HydrophobicContact CZ-CB 4.45Å; F435-Q452 HydrophobicContact CZ-CG 4.06Å; F435-Y455 AromaticContact CE1-CD1 4Å; F435-Y455 HydrophobicContact CE1-CD1 4Å; F435-Y455 AromaticContact CE1-CG 3.94Å; F435-Y455 HydrophobicContact CE1-CG 3.94Å; F435-Y455 AromaticContact CZ-CD1 3.88Å; F435-Y455 HydrophobicContact CZ-CD1 3.88Å; F435-Y455 HydrophobicContact CZ-CE1 4.34Å; F435-Y455 HydrophobicContact CZ-CG 4.29Å
436	S	86.8	Confident	77.8	Confident	49 Å²	49	35.1 Å²	35.1	34%	0.343	24%	0.241	S	C	.	.	H	α-helix	trans	-60.1	-39.8	177	168.6	0	0	0	0	112.1	E432 G440 S445 S448	E432-S436 PolarHBondContact O-N 3.26Å; S436-G440 PolarHBondContact O-N 3.13Å; S436-S445 PolarHBondContact OG-OG 3.43Å; S436-S448 WeakPolarHBondContact CA-OG 3.5Å; S436-S448 PolarHBondContact N-OG 3.12Å
437	A	86.9	Confident	78.7	Confident	9 Å²	9	35.8 Å²	35.8	7%	0.074	24%	0.243	C	C	.	.	H	α-helix	trans	-64.3	-54.4	174.8	0	0	0	0	0	111.5	L71 I75 W251 G433 V434 F435 A439 G440 T441	L71-A437 HydrophobicContact CD1-CB 4.35Å; L71-A437 HydrophobicContact CD2-CB 4.01Å; L71-A437 HydrophobicContact CG-CB 4.38Å; I75-A437 HydrophobicContact CD1-CB 3.69Å; W251-A437 HydrophobicContact CH2-CB 3.73Å; W251-A437 HydrophobicContact CZ3-CB 3.93Å; G433-A437 WeakPolarHBondContact O-CB 3.47Å; G433-A437 PolarHBondContact O-N 3.3Å; V434-A437 PolarHBondContact O-N 3.02Å; F435-A437 VanDerWaalsContact C-N 3.3Å; F435-A437 PolarHBondContact O-N 2.68Å; A437-A439 VanDerWaalsContact C-N 3.35Å; A437-A439 PolarHBondContact O-N 2.92Å; A437-G440 CarbonylContact O-C 3.36Å; A437-G440 PolarHBondContact O-N 3.02Å; A437-T441 WeakPolarHBondContact O-CG2 3.46Å; A437-T441 PolarHBondContact O-N 2.87Å
438	I	87.9	Confident	79.8	Confident	0 Å²	0	31.8 Å²	31.8	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-57.5	-47.5	-179.2	-67.9	166.3	0	0	0	110.8	I75 F235 L243 V244 V247 V434 F435 T441 F442 L451	I75-I438 HydrophobicContact CG2-CG1 4.26Å; F235-I438 HydrophobicContact CE1-CG2 4.08Å; F235-I438 HydrophobicContact CZ-CG2 4.24Å; L243-I438 HydrophobicContact CD2-CG2 4.07Å; L243-I438 HydrophobicContact CG-CD1 4.44Å; V244-I438 HydrophobicContact CB-CD1 4.39Å; V244-I438 HydrophobicContact CG2-CD1 3.77Å; V247-I438 HydrophobicContact CB-CD1 4.05Å; V247-I438 HydrophobicContact CB-CG1 4.44Å; V247-I438 HydrophobicContact CG1-CD1 4.23Å; V247-I438 HydrophobicContact CG1-CG1 4.24Å; V247-I438 HydrophobicContact CG2-CD1 4.18Å; V247-I438 HydrophobicContact CG2-CG1 4.28Å; V434-I438 HydrophobicContact CG1-CD1 3.77Å; V434-I438 VanDerWaalsContact O-CG1 3.3Å; V434-I438 WeakPolarHBondContact O-CG1 3.43Å; V434-I438 PolarHBondContact O-N 3.47Å; F435-I438 PolarHBondContact O-N 2.79Å; I438-T441 PolarHBondContact O-N 3.21Å; I438-T441 PolarHBondContact O-OG1 3.04Å; I438-F442 HydrophobicContact CG2-CD2 4.19Å; I438-F442 PolarHBondContact O-N 3.13Å; I438-L451 HydrophobicContact CB-CD2 3.79Å; I438-L451 HydrophobicContact CG2-CD1 4.42Å; I438-L451 HydrophobicContact CG2-CD2 3.68Å
439	A	86.5	Confident	80.7	Confident	0 Å²	0	34.6 Å²	34.6	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-56.3	-54.4	176.5	0	0	0	0	0	110.6	F233 F435 A437 T441 F442 G443 S444 L451	F233-A439 HydrophobicContact CE1-CB 3.88Å; F233-A439 HydrophobicContact CZ-CB 4.38Å; F435-A439 VanDerWaalsContact O-CB 3.26Å; F435-A439 WeakPolarHBondContact O-CB 3.33Å; F435-A439 PolarHBondContact O-N 3.19Å; A437-A439 VanDerWaalsContact C-N 3.35Å; A437-A439 PolarHBondContact O-N 2.92Å; A439-T441 PolarHBondContact O-N 3.3Å; A439-F442 PolarHBondContact O-N 3.15Å; A439-F442 VanDerWaalsContact O-N 3.16Å; A439-G443 CarbonylContact O-C 3.33Å; A439-G443 PolarHBondContact O-N 3.21Å; A439-S444 CarbonylContact C-O 3.58Å; A439-S444 VanDerWaalsContact CB-O 3.3Å; A439-S444 WeakPolarHBondContact CB-O 3.11Å; A439-L451 HydrophobicContact CB-CD2 4.12Å
440	G	81.9	Confident	80.9	Confident	23 Å²	23	36.1 Å²	36.1	24%	0.237	23%	0.228	C	C	.	.	H	α-helix	trans	-67.8	3.2	173.6	0	0	0	0	0	116.3	Q72 S436 A437	Q72-G440 PolarHBondContact NE2-O 3.25Å; S436-G440 PolarHBondContact O-N 3.13Å; A437-G440 CarbonylContact O-C 3.36Å; A437-G440 PolarHBondContact O-N 3.02Å
441	T	83.2	Confident	81	Confident	6 Å²	6	35.5 Å²	35.5	4%	0.037	23%	0.225	C	C	.	.	H	α-helix	trans	-102.2	-25.5	169.7	69.3	0	0	0	0	114	Q72 I75 R76 A437 I438 A439	Q72-T441 HydrophobicContact CB-CG2 4.34Å; Q72-T441 HydrophobicContact CG-CG2 3.86Å; I75-T441 HydrophobicContact CB-CG2 3.85Å; I75-T441 HydrophobicContact CD1-CG2 3.7Å; I75-T441 HydrophobicContact CG1-CG2 4.34Å; I75-T441 HydrophobicContact CG2-CG2 3.87Å; I75-T441 WeakPolarHBondContact CG2-OG1 3.43Å; R76-T441 VanDerWaalsContact CZ-O 3.3Å; R76-T441 PolarHBondContact NE-O 3.47Å; R76-T441 VanDerWaalsContact NE-O 3.14Å; R76-T441 PolarHBondContact NH2-O 3.05Å; A437-T441 WeakPolarHBondContact O-CG2 3.46Å; A437-T441 PolarHBondContact O-N 2.87Å; I438-T441 PolarHBondContact O-N 3.21Å; I438-T441 PolarHBondContact O-OG1 3.04Å; A439-T441 PolarHBondContact O-N 3.3Å
442	F	82.5	Confident	81.4	Confident	9 Å²	9	35 Å²	35	4%	0.039	22%	0.219	C	C	.	.	H	α-helix	trans	-130.2	-8.2	-171.4	-67.1	-70.8	0	0	0	114.9	I75 R76 Y79 F233 E234 F235 L243 I438 A439	I75-F442 HydrophobicContact CG2-CE2 3.87Å; R76-F442 HydrophobicContact CG-CD1 4.5Å; R76-F442 HydrophobicContact CG-CE1 3.7Å; R76-F442 HydrophobicContact CG-CZ 3.8Å; Y79-F442 AromaticContact CD1-CE1 3.97Å; Y79-F442 HydrophobicContact CD1-CE1 3.97Å; Y79-F442 AromaticContact CD1-CZ 3.83Å; Y79-F442 HydrophobicContact CD1-CZ 3.83Å; Y79-F442 HydrophobicContact CG-CE1 4.4Å; Y79-F442 AromaticContact CG-CZ 3.81Å; Y79-F442 HydrophobicContact CG-CZ 3.81Å; F233-F442 CarbonylContact C-O 3.18Å; F233-F442 VanDerWaalsContact CA-O 3.31Å; F233-F442 WeakPolarHBondContact CA-O 3.3Å; F233-F442 HydrophobicContact CB-CB 3.9Å; F233-F442 HydrophobicContact CD1-CB 4.42Å; E234-F442 HydrophobicContact CB-CD1 4.17Å; E234-F442 PolarHBondContact N-O 3.44Å; F235-F442 HydrophobicContact CD1-CB 3.65Å; F235-F442 HydrophobicContact CD1-CD1 4.09Å; F235-F442 AromaticContact CD1-CD2 3.47Å; F235-F442 HydrophobicContact CD1-CD2 3.47Å; F235-F442 VanDerWaalsContact CD1-CD2 3.47Å; F235-F442 HydrophobicContact CD1-CE2 4.07Å; F235-F442 AromaticContact CD1-CG 3.5Å; F235-F442 HydrophobicContact CD1-CG 3.5Å; F235-F442 HydrophobicContact CE1-CB 3.96Å; F235-F442 AromaticContact CE1-CD2 3.72Å; F235-F442 HydrophobicContact CE1-CD2 3.72Å; F235-F442 HydrophobicContact CE1-CE2 4.48Å; F235-F442 HydrophobicContact CE1-CG 4.04Å; F235-F442 HydrophobicContact CG-CD2 4.48Å; L243-F442 HydrophobicContact CD2-CD2 4.44Å; L243-F442 HydrophobicContact CD2-CE2 3.9Å; I438-F442 HydrophobicContact CG2-CD2 4.19Å; I438-F442 PolarHBondContact O-N 3.13Å; A439-F442 PolarHBondContact O-N 3.15Å; A439-F442 VanDerWaalsContact O-N 3.16Å
443	G	77.6	Confident	81.6	Confident	29 Å²	29	35.1 Å²	35.1	30%	0.299	22%	0.222	S	C	.	.	S	Bend	trans	-154.4	-145.2	177.5	0	0	0	0	0	109.8	A439	A439-G443 CarbonylContact O-C 3.33Å; A439-G443 PolarHBondContact O-N 3.21Å
444	S	72.6	Confident	81.6	Confident	36 Å²	36	37 Å²	37	25%	0.252	22%	0.219	S	C	.	.			trans	-79.7	159.1	166.6	-162.3	0	0	0	0	111.6	A439 D446 D447	A439-S444 CarbonylContact C-O 3.58Å; A439-S444 VanDerWaalsContact CB-O 3.3Å; A439-S444 WeakPolarHBondContact CB-O 3.11Å; S444-D446 PolarHBondContact OG-N 3.43Å; S444-D446 PolarHBondContact OG-OD2 2.95Å; S444-D447 WeakPolarHBondContact CB-OD2 3.44Å
445	S	70.7	Confident	81.6	Confident	54 Å²	54	37 Å²	37	38%	0.378	22%	0.219	S	C	.	.	S	Bend	trans	-71.7	-18.7	166.5	-172.6	0	0	0	0	112.4	S436 D447 S448	S436-S445 PolarHBondContact OG-OG 3.43Å; S445-D447 VanDerWaalsContact C-N 3.35Å; S445-S448 WeakPolarHBondContact O-CB 3.3Å; S445-S448 PolarHBondContact O-N 3.05Å
446	D	70.9	Confident	81.3	Confident	135 Å²	135	39.9 Å²	39.9	72%	0.722	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.2	-31.8	-177.3	-43.2	-52	0	0	0	111.2	S444 S448	S444-D446 PolarHBondContact OG-N 3.43Å; S444-D446 PolarHBondContact OG-OD2 2.95Å; D446-S448 PolarHBondContact O-N 2.9Å; D446-S448 VanDerWaalsContact O-N 3.07Å
447	D	75.4	Confident	81	Confident	32 Å²	32	40.4 Å²	40.4	17%	0.171	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.7	6	177.1	-60.7	-67.3	0	0	0	113.7	F233 S444 S445 S449 K450 L451	F233-D447 HydrophobicContact CE1-CB 3.83Å; F233-D447 HydrophobicContact CZ-CB 3.6Å; S444-D447 WeakPolarHBondContact CB-OD2 3.44Å; S445-D447 VanDerWaalsContact C-N 3.35Å; D447-S449 PolarHBondContact O-N 3.44Å; D447-K450 WeakPolarHBondContact O-CB 3.43Å; D447-K450 PolarHBondContact O-N 3.39Å; D447-L451 PolarHBondContact O-N 3.4Å
448	S	81.8	Confident	80.8	Confident	16 Å²	16	41.6 Å²	41.6	11%	0.112	24%	0.235	C	C	.	.	H	α-helix	trans	-53.8	-39.5	178.7	-176.9	0	0	0	0	112.8	S436 S445 D446 L451 Q452	S436-S448 WeakPolarHBondContact CA-OG 3.5Å; S436-S448 PolarHBondContact N-OG 3.12Å; S445-S448 WeakPolarHBondContact O-CB 3.3Å; S445-S448 PolarHBondContact O-N 3.05Å; D446-S448 PolarHBondContact O-N 2.9Å; D446-S448 VanDerWaalsContact O-N 3.07Å; S448-L451 WeakPolarHBondContact O-CB 3.49Å; S448-L451 PolarHBondContact O-N 2.96Å; S448-Q452 PolarHBondContact O-N 3.45Å
449	S	81.2	Confident	80.5	Confident	81 Å²	81	45.5 Å²	45.5	57%	0.566	25%	0.252	S	S	*	.	H	α-helix	trans	-69.5	-38.6	177	-54.1	0	0	0	0	112.1	D447 Q452 L453	D447-S449 PolarHBondContact O-N 3.44Å; S449-Q452 PolarHBondContact O-N 2.97Å; S449-L453 WeakPolarHBondContact O-CG 3.39Å; S449-L453 PolarHBondContact O-N 2.82Å
450	K	77	Confident	79.9	Confident	81 Å²	81	51.1 Å²	51.1	35%	0.352	28%	0.278	S	S	.	.	H	α-helix	trans	-64.7	-41.5	175.1	-56.9	-169.1	-175.2	-172.9	0	110.8	H226 D447 Q452 L453 R454	H226-K450 PolarHBondContact NE2-NZ 3.08Å; D447-K450 WeakPolarHBondContact O-CB 3.43Å; D447-K450 PolarHBondContact O-N 3.39Å; K450-Q452 PolarHBondContact O-N 3.32Å; K450-L453 PolarHBondContact O-N 3.35Å; K450-R454 WeakPolarHBondContact O-CG 3.49Å; K450-R454 PolarHBondContact O-N 2.91Å
451	L	83.4	Confident	79.2	Confident	1 Å²	1	57.4 Å²	57.4	1%	0.005	30%	0.295	C	S	.	.	H	α-helix	trans	-60.3	-42.5	174.1	-174.5	74.3	0	0	0	112.2	F233 F235 L240 F435 I438 A439 D447 S448 Y455	F233-L451 HydrophobicContact CD2-CD1 3.9Å; F233-L451 HydrophobicContact CE2-CB 3.97Å; F233-L451 HydrophobicContact CE2-CD1 3.52Å; F233-L451 HydrophobicContact CE2-CG 4.32Å; F233-L451 HydrophobicContact CZ-CB 3.78Å; F233-L451 HydrophobicContact CZ-CD1 3.95Å; F233-L451 HydrophobicContact CZ-CG 4.35Å; F235-L451 HydrophobicContact CZ-CD1 3.96Å; L240-L451 HydrophobicContact CD1-CD1 3.42Å; L240-L451 VanDerWaalsContact CD1-CD1 3.42Å; L240-L451 HydrophobicContact CD1-CG 4.26Å; L240-L451 HydrophobicContact CD2-CD1 4.46Å; F435-L451 HydrophobicContact CB-CD2 4.29Å; F435-L451 HydrophobicContact CD1-CD2 4.15Å; F435-L451 HydrophobicContact CD1-CG 4.24Å; F435-L451 WeakPolarHBondContact O-CD2 3.49Å; I438-L451 HydrophobicContact CB-CD2 3.79Å; I438-L451 HydrophobicContact CG2-CD1 4.42Å; I438-L451 HydrophobicContact CG2-CD2 3.68Å; A439-L451 HydrophobicContact CB-CD2 4.12Å; D447-L451 PolarHBondContact O-N 3.4Å; S448-L451 WeakPolarHBondContact O-CB 3.49Å; S448-L451 PolarHBondContact O-N 2.96Å; L451-Y455 WeakPolarHBondContact O-CB 3.48Å; L451-Y455 PolarHBondContact O-N 3.41Å
452	Q	85.5	Confident	78	Confident	38 Å²	38	60.1 Å²	60.1	18%	0.178	31%	0.314	C	S	.	.	H	α-helix	trans	-66.4	-43.6	177.8	-176.1	-179.1	-30.1	0	0	111.9	T428 F435 S448 S449 K450 Y455 M456	T428-Q452 HydrophobicContact CG2-CG 4.2Å; F435-Q452 HydrophobicContact CD1-CB 4.01Å; F435-Q452 HydrophobicContact CD1-CG 4.48Å; F435-Q452 HydrophobicContact CD2-CB 4.36Å; F435-Q452 HydrophobicContact CD2-CG 4.25Å; F435-Q452 HydrophobicContact CE1-CB 4.19Å; F435-Q452 HydrophobicContact CE1-CG 4.28Å; F435-Q452 HydrophobicContact CE2-CG 4.04Å; F435-Q452 HydrophobicContact CG-CB 4.1Å; F435-Q452 HydrophobicContact CG-CG 4.47Å; F435-Q452 HydrophobicContact CZ-CB 4.45Å; F435-Q452 HydrophobicContact CZ-CG 4.06Å; S448-Q452 PolarHBondContact O-N 3.45Å; S449-Q452 PolarHBondContact O-N 2.97Å; K450-Q452 PolarHBondContact O-N 3.32Å; Q452-Y455 PolarHBondContact O-N 3.1Å; Q452-M456 WeakPolarHBondContact O-CG 3.43Å; Q452-M456 PolarHBondContact O-N 3.01Å
453	L	82.7	Confident	76.5	Confident	105 Å²	105	62.3 Å²	62.3	55%	0.55	33%	0.33	S	S	.	.	H	α-helix	trans	-62	-51.1	176.4	-71.4	169.3	0	0	0	111.5	S449 K450 Y455 M456 E457	S449-L453 WeakPolarHBondContact O-CG 3.39Å; S449-L453 PolarHBondContact O-N 2.82Å; K450-L453 PolarHBondContact O-N 3.35Å; L453-Y455 VanDerWaalsContact C-N 3.29Å; L453-Y455 PolarHBondContact O-N 3.41Å; L453-M456 WeakPolarHBondContact O-CA 3.3Å; L453-M456 WeakPolarHBondContact O-CB 3.31Å; L453-M456 PolarHBondContact O-N 3.43Å; L453-E457 PolarHBondContact O-N 3.25Å
454	R	82	Confident	75.1	Confident	73 Å²	73	66.6 Å²	66.6	28%	0.275	35%	0.351	S	S	.	.	H	α-helix	trans	-61.6	-33.6	176.3	-67.8	-62.5	-170.4	-172.2	4.3	112.5	E197 L240 K450 E457 L458	E197-R454 IonicContact OE1-CZ 2.67Å; E197-R454 IonicContact OE1-NH2 2.74Å; E197-R454 PolarHBondContact OE1-NH2 3.11Å; E197-R454 IonicContact OE2-NH2 3.33Å; E197-R454 PolarHBondContact OE2-NH2 3Å; L240-R454 HydrophobicContact CD2-CB 4.03Å; K450-R454 WeakPolarHBondContact O-CG 3.49Å; K450-R454 PolarHBondContact O-N 2.91Å; R454-E457 WeakPolarHBondContact CD-OE2 3.22Å; R454-E457 IonicContact CZ-OE2 3.41Å; R454-E457 IonicContact NE-OE2 2.67Å; R454-E457 IonicContact NH1-OE1 2.67Å; R454-E457 IonicContact NH1-OE2 3.44Å; R454-E457 PolarHBondContact NH1-OE2 3.14Å; R454-L458 WeakPolarHBondContact O-CB 3.35Å; R454-L458 WeakPolarHBondContact O-CG 3.46Å; R454-L458 PolarHBondContact O-N 2.84Å
455	Y	87	Confident	73.8	Confident	0 Å²	0	69.5 Å²	69.5	0%	0	37%	0.371	C	S	.	.	H	α-helix	trans	-64.2	-40.2	171.2	170.4	-93.6	0	0	0	112.4	V241 V244 N245 T428 I430 F435 L451 Q452 L453 K459	V241-Y455 HydrophobicContact CB-CE2 4.42Å; V241-Y455 HydrophobicContact CG1-CE2 4.11Å; V241-Y455 HydrophobicContact CG2-CD2 4.32Å; V244-Y455 HydrophobicContact CB-CD2 3.59Å; V244-Y455 HydrophobicContact CB-CE2 3.65Å; V244-Y455 HydrophobicContact CB-CG 4.45Å; V244-Y455 HydrophobicContact CG1-CD1 4.47Å; V244-Y455 HydrophobicContact CG1-CD2 3.56Å; V244-Y455 HydrophobicContact CG1-CE1 4.38Å; V244-Y455 HydrophobicContact CG1-CE2 3.42Å; V244-Y455 VanDerWaalsContact CG1-CE2 3.42Å; V244-Y455 HydrophobicContact CG1-CG 4.1Å; V244-Y455 HydrophobicContact CG2-CD2 3.87Å; V244-Y455 HydrophobicContact CG2-CE2 4.43Å; V244-Y455 HydrophobicContact CG2-CG 4.44Å; N245-Y455 PolarHBondContact OD1-OH 3.25Å; T428-Y455 HydrophobicContact CG2-CD1 4.22Å; T428-Y455 HydrophobicContact CG2-CE1 4.3Å; I430-Y455 HydrophobicContact CD1-CE1 3.99Å; I430-Y455 HydrophobicContact CD1-CE2 4.44Å; I430-Y455 WeakPolarHBondContact CD1-OH 3.39Å; F435-Y455 AromaticContact CE1-CD1 4Å; F435-Y455 HydrophobicContact CE1-CD1 4Å; F435-Y455 AromaticContact CE1-CG 3.94Å; F435-Y455 HydrophobicContact CE1-CG 3.94Å; F435-Y455 AromaticContact CZ-CD1 3.88Å; F435-Y455 HydrophobicContact CZ-CD1 3.88Å; F435-Y455 HydrophobicContact CZ-CE1 4.34Å; F435-Y455 HydrophobicContact CZ-CG 4.29Å; L451-Y455 WeakPolarHBondContact O-CB 3.48Å; L451-Y455 PolarHBondContact O-N 3.41Å; Q452-Y455 PolarHBondContact O-N 3.1Å; L453-Y455 VanDerWaalsContact C-N 3.29Å; L453-Y455 PolarHBondContact O-N 3.41Å; Y455-K459 HydrophobicContact CE1-CD 3.85Å; Y455-K459 WeakPolarHBondContact O-CB 3.37Å; Y455-K459 PolarHBondContact O-N 3.34Å; Y455-K459 PolarHBondContact OH-NZ 3.48Å; Y455-K459 VanDerWaalsContact OH-NZ 3.12Å
456	M	83.8	Confident	72.4	Confident	60 Å²	60	74.9 Å²	74.9	30%	0.296	39%	0.39	S	S	.	.	H	α-helix	trans	-64.3	-51	175.5	-71.3	-179.7	60.1	0	0	111.3	T428 Q452 L453 L458 K459 E460	T428-M456 HydrophobicContact CG2-CG 3.56Å; T428-M456 HydrophobicContact CG2-SD 3.74Å; Q452-M456 WeakPolarHBondContact O-CG 3.43Å; Q452-M456 PolarHBondContact O-N 3.01Å; L453-M456 WeakPolarHBondContact O-CA 3.3Å; L453-M456 WeakPolarHBondContact O-CB 3.31Å; L453-M456 PolarHBondContact O-N 3.43Å; M456-L458 PolarHBondContact O-N 3.45Å; M456-K459 WeakPolarHBondContact O-CB 3.46Å; M456-K459 PolarHBondContact O-N 2.91Å; M456-K459 VanDerWaalsContact O-N 3.11Å; M456-E460 WeakPolarHBondContact O-CG 3.41Å; M456-E460 PolarHBondContact O-N 2.9Å
457	E	79.9	Confident	70.4	Confident	61 Å²	61	75.8 Å²	75.8	29%	0.285	39%	0.394	S	S	.	.	H	α-helix	trans	-55.9	-46.8	177.5	-68.2	169.8	-149.5	0	0	112.8	L453 R454 K459 E460 R461	L453-E457 PolarHBondContact O-N 3.25Å; R454-E457 WeakPolarHBondContact CD-OE2 3.22Å; R454-E457 IonicContact CZ-OE2 3.41Å; R454-E457 IonicContact NE-OE2 2.67Å; R454-E457 IonicContact NH1-OE1 2.67Å; R454-E457 IonicContact NH1-OE2 3.44Å; R454-E457 PolarHBondContact NH1-OE2 3.14Å; E457-K459 VanDerWaalsContact C-N 3.33Å; E457-K459 PolarHBondContact O-N 3.39Å; E457-E460 PolarHBondContact O-N 3.44Å; E457-R461 WeakPolarHBondContact O-CB 3.09Å; E457-R461 VanDerWaalsContact O-CG 3.31Å; E457-R461 WeakPolarHBondContact O-CG 3.18Å; E457-R461 PolarHBondContact O-N 3.45Å
458	L	82.7	Confident	68.3	Low	33 Å²	33	79.9 Å²	79.9	17%	0.173	42%	0.416	C	S	.	.	H	α-helix	trans	-70.1	-30.2	178.8	-68.2	-176.1	0	0	0	112.5	E237 L240 V241 R454 M456 S462	E237-L458 HydrophobicContact CG-CD1 3.76Å; L240-L458 HydrophobicContact CB-CD1 4.1Å; L240-L458 HydrophobicContact CD2-CD1 3.98Å; L240-L458 HydrophobicContact CG-CD1 4.48Å; V241-L458 HydrophobicContact CG2-CB 3.69Å; R454-L458 WeakPolarHBondContact O-CB 3.35Å; R454-L458 WeakPolarHBondContact O-CG 3.46Å; R454-L458 PolarHBondContact O-N 2.84Å; M456-L458 PolarHBondContact O-N 3.45Å; L458-S462 VanDerWaalsContact O-CB 3.3Å; L458-S462 WeakPolarHBondContact O-CB 3.44Å; L458-S462 PolarHBondContact O-N 3.45Å; L458-S462 PolarHBondContact O-OG 3.46Å
459	K	83.1	Confident	66.3	Low	82 Å²	82	85.4 Å²	85.4	36%	0.357	44%	0.44	S	S	.	.	H	α-helix	trans	-68.9	-44.7	174.6	-173	175	-171.6	168.1	0	111.1	Y455 M456 E457 S462 S463	Y455-K459 HydrophobicContact CE1-CD 3.85Å; Y455-K459 WeakPolarHBondContact O-CB 3.37Å; Y455-K459 PolarHBondContact O-N 3.34Å; Y455-K459 PolarHBondContact OH-NZ 3.48Å; Y455-K459 VanDerWaalsContact OH-NZ 3.12Å; M456-K459 WeakPolarHBondContact O-CB 3.46Å; M456-K459 PolarHBondContact O-N 2.91Å; M456-K459 VanDerWaalsContact O-N 3.11Å; E457-K459 VanDerWaalsContact C-N 3.33Å; E457-K459 PolarHBondContact O-N 3.39Å; K459-S462 WeakPolarHBondContact O-CB 3.39Å; K459-S462 PolarHBondContact O-N 2.88Å; K459-S463 PolarHBondContact O-N 3.48Å; K459-S463 PolarHBondContact O-OG 3.07Å
460	E	72.9	Confident	64	Low	119 Å²	119	89.2 Å²	89.2	56%	0.556	45%	0.449	S	S	*	.	H	α-helix	trans	-59.5	-48.7	173.9	-71.3	167.8	-167	0	0	111	M456 E457 S462 S463 T464	M456-E460 WeakPolarHBondContact O-CG 3.41Å; M456-E460 PolarHBondContact O-N 2.9Å; E457-E460 PolarHBondContact O-N 3.44Å; E460-S462 VanDerWaalsContact C-N 3.32Å; E460-S462 PolarHBondContact O-N 3.11Å; E460-S463 PolarHBondContact O-N 2.83Å; E460-T464 PolarHBondContact O-N 3.46Å; E460-T464 PolarHBondContact O-OG1 2.9Å
461	R	67.6	Low	62.2	Low	155 Å²	155	90.2 Å²	90.2	59%	0.585	47%	0.473	S	S	*	.	H	α-helix	trans	-60.5	-37.2	173.9	-70.5	175	-175.5	-173.8	3.7	113.2	E457 T464 S465	E457-R461 WeakPolarHBondContact O-CB 3.09Å; E457-R461 VanDerWaalsContact O-CG 3.31Å; E457-R461 WeakPolarHBondContact O-CG 3.18Å; E457-R461 PolarHBondContact O-N 3.45Å; R461-T464 WeakPolarHBondContact O-CB 3.43Å; R461-T464 PolarHBondContact O-N 3.28Å; R461-S465 PolarHBondContact O-N 3.43Å; R461-S465 PolarHBondContact O-OG 2.59Å
462	S	58.3	Low	60.4	Low	62 Å²	62	97.7 Å²	97.7	43%	0.434	51%	0.512	S	S	.	.	H	α-helix	trans	-65.9	-47.7	177.3	-60.8	0	0	0	0	111.4	L458 K459 E460 T464 S465 Q466	L458-S462 VanDerWaalsContact O-CB 3.3Å; L458-S462 WeakPolarHBondContact O-CB 3.44Å; L458-S462 PolarHBondContact O-N 3.45Å; L458-S462 PolarHBondContact O-OG 3.46Å; K459-S462 WeakPolarHBondContact O-CB 3.39Å; K459-S462 PolarHBondContact O-N 2.88Å; E460-S462 VanDerWaalsContact C-N 3.32Å; E460-S462 PolarHBondContact O-N 3.11Å; S462-T464 PolarHBondContact O-N 3.29Å; S462-S465 WeakPolarHBondContact O-CB 3.31Å; S462-S465 PolarHBondContact O-N 3.32Å; S462-Q466 PolarHBondContact O-N 3.09Å
463	S	51.1	Low	59.1	Low	55 Å²	55	100.6 Å²	100.6	39%	0.385	53%	0.532	S	S	.	.	H	α-helix	trans	-64.2	-27.6	174.5	-68.3	0	0	0	0	113.2	K459 E460 S465	K459-S463 PolarHBondContact O-N 3.48Å; K459-S463 PolarHBondContact O-OG 3.07Å; E460-S463 PolarHBondContact O-N 2.83Å; S463-S465 PolarHBondContact O-N 3.4Å
464	T	47.8	Very low	58.4	Low	120 Å²	120	100.3 Å²	100.3	74%	0.736	54%	0.537	S	S	*	.	H	α-helix	trans	-70.9	-20.3	172.3	-48.6	0	0	0	0	112.4	E460 R461 S462	E460-T464 PolarHBondContact O-N 3.46Å; E460-T464 PolarHBondContact O-OG1 2.9Å; R461-T464 WeakPolarHBondContact O-CB 3.43Å; R461-T464 PolarHBondContact O-N 3.28Å; S462-T464 PolarHBondContact O-N 3.29Å
465	S	45.3	Very low	58.2	Low	96 Å²	96	98.6 Å²	98.6	67%	0.671	54%	0.536	S	S	*	.	H	α-helix	trans	-99.9	-24.4	-173.1	-55.5	0	0	0	0	114.1	R461 S462 S463	R461-S465 PolarHBondContact O-N 3.43Å; R461-S465 PolarHBondContact O-OG 2.59Å; S462-S465 WeakPolarHBondContact O-CB 3.31Å; S462-S465 PolarHBondContact O-N 3.32Å; S463-S465 PolarHBondContact O-N 3.4Å
466	Q	40	Very low	57.9	Low	168 Å²	168	99.1 Å²	99.1	79%	0.785	54%	0.54	S	S	*	.	S	Bend	trans	-145.6	107.1	178.4	-69.6	-176.4	-19.9	0	0	109.9	S462	S462-Q466 PolarHBondContact O-N 3.09Å
467	L	29.8	Very low	58	Low	154 Å²	154	100.1 Å²	100.1	81%	0.806	55%	0.546	S	S	*	.	S	Bend	trans	46.9	98.3	170.1	-70	167.7	0	0	0	116.6
468	N	32	Very low	58.3	Low	118 Å²	118	99.1 Å²	99.1	63%	0.631	54%	0.543	S	S	*	.			trans	-161.9	96.7	132.7	-97.9	-12.1	0	0	0	109.2	E470	N468-E470 PolarHBondContact O-N 3.03Å; N468-E470 VanDerWaalsContact O-N 3.14Å
469	E	38.5	Very low	58.6	Low	132 Å²	132	104.6 Å²	104.6	62%	0.617	57%	0.572	S	S	*	*			trans	-78.6	20.5	173.8	-65.8	-176	96.2	0	0	112.8	R492	E469-R492 VanDerWaalsContact CD-NH2 3.3Å; E469-R492 IonicContact OE1-CZ 2.76Å; E469-R492 IonicContact OE1-NH1 3.93Å; E469-R492 PolarHBondContact OE1-NH1 3.35Å; E469-R492 IonicContact OE1-NH2 2.74Å; E469-R492 PolarHBondContact OE1-NH2 3.04Å; E469-R492 IonicContact OE2-CZ 3.11Å; E469-R492 IonicContact OE2-NH1 2.73Å; E469-R492 PolarHBondContact OE2-NH1 3.16Å; E469-R492 IonicContact OE2-NH2 2.69Å; E469-R492 PolarHBondContact OE2-NH2 3.47Å
470	E	33.1	Very low	58.7	Low	160 Å²	160	103.5 Å²	103.5	75%	0.748	57%	0.57	S	S	*	*	S	Bend	trans	-116.8	133.9	-174	-61.5	-170.4	156.5	0	0	111.1	N468	N468-E470 PolarHBondContact O-N 3.03Å; N468-E470 VanDerWaalsContact O-N 3.14Å
471	A	39.5	Very low	59.1	Low	103 Å²	103	100.8 Å²	100.8	85%	0.851	56%	0.563	S	S	*	*	S	Bend	trans	76.4	17.1	171	0	0	0	0	0	119.9
472	L	46.7	Very low	59.8	Low	158 Å²	158	99 Å²	99	83%	0.827	56%	0.564	S	S	*	*			trans	-114.9	110	154.7	-92	164.6	0	0	0	109.9	C474	L472-C474 VanDerWaalsContact C-N 3.3Å; L472-C474 PolarHBondContact O-N 3.36Å
473	T	57.3	Low	60.9	Low	99 Å²	99	99.6 Å²	99.6	61%	0.607	56%	0.56	S	S	*	*			trans	-81.8	63.4	-164.9	56.3	0	0	0	0	113.4	C475	T473-C475 PolarHBondContact O-N 3.37Å
474	C	67.9	Low	62.4	Low	98 Å²	98	97 Å²	97	66%	0.662	54%	0.541	S	S	*	.	P	Polyproline II helix	trans	-70.9	118	169.1	-69.1	0	0	0	0	109.9	L472 H493	L472-C474 VanDerWaalsContact C-N 3.3Å; L472-C474 PolarHBondContact O-N 3.36Å; C474-H493 PolarHBondContact O-CE1 2.9Å; C474-H493 VanDerWaalsContact O-CE1 3.23Å; C474-H493 PolarHBondContact O-NE2 3Å
475	C	78.3	Confident	64	Low	37 Å²	37	94.4 Å²	94.4	25%	0.25	52%	0.523	C	S	.	.	P	Polyproline II helix	trans	-62.5	129.4	171.1	-177.3	0	0	0	0	109.5	T473	T473-C475 PolarHBondContact O-N 3.37Å
476	P	81.2	Confident	65.5	Low	12 Å²	12	94.1 Å²	94.1	8%	0.078	51%	0.514	C	S	.	.	P	Polyproline II helix	trans	-61.9	153.8	171.8	27.5	-35.5	0	0	0	110.8	L478 E483 V484 A487 P496	P476-L478 PolarHBondContact O-N 3.4Å; P476-E483 WeakPolarHBondContact CA-OE1 3.41Å; P476-E483 HydrophobicContact CB-CG 4Å; P476-V484 HydrophobicContact CB-CG2 4.1Å; P476-V484 HydrophobicContact CG-CB 4.43Å; P476-V484 HydrophobicContact CG-CG1 4.44Å; P476-V484 HydrophobicContact CG-CG2 4.06Å; P476-A487 HydrophobicContact CB-CB 4.21Å; P476-A487 HydrophobicContact CG-CB 3.95Å; P476-P496 HydrophobicContact CG-CG 4.18Å
477	N	86	Confident	67.1	Low	80 Å²	80	86.7 Å²	86.7	43%	0.428	48%	0.481	S	S	.	.	P	Polyproline II helix	trans	-66.5	116.6	179.8	-176.3	9	0	0	0	111.1	D479 N480 E483 V484	N477-D479 PolarHBondContact O-N 2.9Å; N477-D479 PolarHBondContact OD1-N 2.95Å; N477-D479 VanDerWaalsContact OD1-N 3.11Å; N477-N480 HydrophobicContact CB-CB 4.36Å; N477-N480 PolarHBondContact O-N 3.13Å; N477-E483 PolarHBondContact N-OE1 2.93Å; N477-V484 WeakPolarHBondContact O-CG2 3.39Å
478	L	86.2	Confident	69.3	Low	41 Å²	41	81.4 Å²	81.4	22%	0.215	46%	0.455	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-25	180	-63.8	-177.6	0	0	0	113.3	P476 N480 V484 P496 A501 V581	P476-L478 PolarHBondContact O-N 3.4Å; L478-N480 PolarHBondContact O-N 2.66Å; L478-V484 HydrophobicContact CD2-CG2 4.17Å; L478-P496 HydrophobicContact CD2-CG 4.48Å; L478-A501 HydrophobicContact CD1-CB 4.07Å; L478-V581 HydrophobicContact CB-CG1 4.48Å; L478-V581 VanDerWaalsContact O-CG1 3.26Å; L478-V581 WeakPolarHBondContact O-CG1 3.41Å
479	D	87.6	Confident	71.3	Confident	147 Å²	147	83.1 Å²	83.1	79%	0.786	46%	0.457	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70	-14.2	173.9	-63.3	-32.2	0	0	0	112.6	N477 P481	N477-D479 PolarHBondContact O-N 2.9Å; N477-D479 PolarHBondContact OD1-N 2.95Å; N477-D479 VanDerWaalsContact OD1-N 3.11Å; D479-P481 VanDerWaalsContact O-CD 3.23Å; D479-P481 WeakPolarHBondContact O-CD 3.47Å
480	N	85.2	Confident	72.5	Confident	59 Å²	59	79.8 Å²	79.8	32%	0.316	45%	0.449	S	S	.	.			trans	-110.5	85.6	-179.6	-172.2	-3.2	0	0	0	111.1	N477 L478 I482 E483 V484	N477-N480 HydrophobicContact CB-CB 4.36Å; N477-N480 PolarHBondContact O-N 3.13Å; L478-N480 PolarHBondContact O-N 2.66Å; N480-I482 PolarHBondContact O-N 3.2Å; N480-I482 VanDerWaalsContact O-N 3.1Å; N480-I482 PolarHBondContact OD1-N 3.15Å; N480-E483 HydrophobicContact CB-CB 3.88Å; N480-E483 VanDerWaalsContact CG-CB 3.44Å; N480-E483 VanDerWaalsContact ND2-CB 3.3Å; N480-E483 WeakPolarHBondContact ND2-CB 3.32Å; N480-E483 PolarHBondContact ND2-OE2 3.24Å; N480-E483 WeakPolarHBondContact O-CB 3.18Å; N480-E483 PolarHBondContact O-N 3.01Å; N480-E483 PolarHBondContact OD1-N 2.85Å; N480-V484 PolarHBondContact O-N 2.94Å; N480-V484 VanDerWaalsContact O-N 3.13Å
481	P	81.4	Confident	74	Confident	62 Å²	62	75.3 Å²	75.3	40%	0.403	45%	0.445	S	S	.	.	H	α-helix	trans	-63.4	-21.2	-175.8	25.6	-35.2	0	0	0	113.7	D479 L485 V581	D479-P481 VanDerWaalsContact O-CD 3.23Å; D479-P481 WeakPolarHBondContact O-CD 3.47Å; P481-L485 WeakPolarHBondContact O-CB 3.13Å; P481-L485 PolarHBondContact O-N 3.15Å; P481-V581 HydrophobicContact CB-CG2 4.11Å
482	I	82.6	Confident	74.9	Confident	118 Å²	118	76.7 Å²	76.7	61%	0.605	43%	0.428	S	S	*	.	H	α-helix	trans	-71.7	-43.5	175.5	-57.9	176.2	0	0	0	110.1	N480 L485 N486	N480-I482 PolarHBondContact O-N 3.2Å; N480-I482 VanDerWaalsContact O-N 3.1Å; N480-I482 PolarHBondContact OD1-N 3.15Å; I482-L485 PolarHBondContact O-N 3.19Å; I482-N486 VanDerWaalsContact O-CB 3.31Å; I482-N486 WeakPolarHBondContact O-CB 3.28Å; I482-N486 PolarHBondContact O-N 3.2Å; I482-N486 PolarHBondContact O-ND2 3.38Å; I482-N486 PolarHBondContact O-OD1 3.19Å
483	E	82	Confident	75.4	Confident	74 Å²	74	70.9 Å²	70.9	35%	0.346	40%	0.397	S	S	.	.	H	α-helix	trans	-65.7	-46.7	178.1	-179.4	-171.6	142	0	0	111.7	P476 N477 N480 L485 N486 A487	P476-E483 WeakPolarHBondContact CA-OE1 3.41Å; P476-E483 HydrophobicContact CB-CG 4Å; N477-E483 PolarHBondContact N-OE1 2.93Å; N480-E483 HydrophobicContact CB-CB 3.88Å; N480-E483 VanDerWaalsContact CG-CB 3.44Å; N480-E483 VanDerWaalsContact ND2-CB 3.3Å; N480-E483 WeakPolarHBondContact ND2-CB 3.32Å; N480-E483 PolarHBondContact ND2-OE2 3.24Å; N480-E483 WeakPolarHBondContact O-CB 3.18Å; N480-E483 PolarHBondContact O-N 3.01Å; N480-E483 PolarHBondContact OD1-N 2.85Å; E483-L485 PolarHBondContact O-N 2.63Å; E483-N486 PolarHBondContact O-N 3.25Å; E483-A487 WeakPolarHBondContact O-CB 3.2Å; E483-A487 PolarHBondContact O-N 3.16Å
484	V	81.6	Confident	76	Confident	0 Å²	0	74.3 Å²	74.3	0%	0	41%	0.406	C	S	.	.	H	α-helix	trans	-61.7	-43.9	174.8	-175.7	0	0	0	0	111.1	P476 N477 L478 N480 N486 A487 V488 P496 P580 V581	P476-V484 HydrophobicContact CB-CG2 4.1Å; P476-V484 HydrophobicContact CG-CB 4.43Å; P476-V484 HydrophobicContact CG-CG1 4.44Å; P476-V484 HydrophobicContact CG-CG2 4.06Å; N477-V484 WeakPolarHBondContact O-CG2 3.39Å; L478-V484 HydrophobicContact CD2-CG2 4.17Å; N480-V484 PolarHBondContact O-N 2.94Å; N480-V484 VanDerWaalsContact O-N 3.13Å; V484-N486 VanDerWaalsContact C-N 3.32Å; V484-N486 PolarHBondContact O-N 3.46Å; V484-A487 PolarHBondContact O-N 3.15Å; V484-V488 WeakPolarHBondContact O-CG2 3.39Å; V484-V488 PolarHBondContact O-N 3.47Å; V484-P496 HydrophobicContact CG1-CG 4.5Å; V484-P580 HydrophobicContact CG1-CB 3.88Å; V484-V581 HydrophobicContact CB-CG2 3.99Å; V484-V581 HydrophobicContact CG1-CG2 4.18Å; V484-V581 HydrophobicContact CG2-CG2 3.94Å
485	L	80.8	Confident	76.4	Confident	67 Å²	67	72.5 Å²	72.5	35%	0.351	39%	0.389	S	S	.	.	H	α-helix	trans	-64.4	-36.3	177.8	-173.4	65.8	0	0	0	112	P481 I482 E483 K489	P481-L485 WeakPolarHBondContact O-CB 3.13Å; P481-L485 PolarHBondContact O-N 3.15Å; I482-L485 PolarHBondContact O-N 3.19Å; E483-L485 PolarHBondContact O-N 2.63Å; L485-K489 HydrophobicContact CD1-CD 4.45Å; L485-K489 HydrophobicContact CG-CD 4.04Å; L485-K489 HydrophobicContact CG-CG 4.49Å; L485-K489 VanDerWaalsContact O-CB 3.25Å; L485-K489 WeakPolarHBondContact O-CB 3.21Å; L485-K489 WeakPolarHBondContact O-CG 3.34Å; L485-K489 PolarHBondContact O-N 3.11Å
486	N	77.4	Confident	76.5	Confident	89 Å²	89	70.8 Å²	70.8	48%	0.476	38%	0.378	S	S	.	.	H	α-helix	trans	-71.8	-39.5	175.8	-72.3	-10.5	0	0	0	112.1	I482 E483 V484 V488 K489 S490	I482-N486 VanDerWaalsContact O-CB 3.31Å; I482-N486 WeakPolarHBondContact O-CB 3.28Å; I482-N486 PolarHBondContact O-N 3.2Å; I482-N486 PolarHBondContact O-ND2 3.38Å; I482-N486 PolarHBondContact O-OD1 3.19Å; E483-N486 PolarHBondContact O-N 3.25Å; V484-N486 VanDerWaalsContact C-N 3.32Å; V484-N486 PolarHBondContact O-N 3.46Å; N486-V488 VanDerWaalsContact C-N 3.32Å; N486-V488 PolarHBondContact O-N 3.43Å; N486-K489 PolarHBondContact O-N 3.15Å; N486-S490 VanDerWaalsContact O-CB 3.28Å; N486-S490 WeakPolarHBondContact O-CB 3.32Å; N486-S490 PolarHBondContact O-N 3.49Å; N486-S490 PolarHBondContact O-OG 2.72Å
487	A	73.6	Confident	76.6	Confident	13 Å²	13	72.9 Å²	72.9	11%	0.107	39%	0.391	C	S	.	.	H	α-helix	trans	-62.7	-37.3	175.2	0	0	0	0	0	112.4	P476 E483 V484 S490 R492 H493	P476-A487 HydrophobicContact CB-CB 4.21Å; P476-A487 HydrophobicContact CG-CB 3.95Å; E483-A487 WeakPolarHBondContact O-CB 3.2Å; E483-A487 PolarHBondContact O-N 3.16Å; V484-A487 PolarHBondContact O-N 3.15Å; A487-S490 PolarHBondContact O-OG 2.85Å; A487-R492 PolarHBondContact O-N 3.29Å; A487-H493 HydrophobicContact CB-CB 4.47Å; A487-H493 PolarHBondContact O-N 3.23Å
488	V	76.8	Confident	76.5	Confident	43 Å²	43	71 Å²	71	26%	0.261	38%	0.377	S	S	.	.	H	α-helix	trans	-74.8	-45.1	174.1	175.5	0	0	0	0	111.7	V484 N486 S490 G491 H493 I495 P580	V484-V488 WeakPolarHBondContact O-CG2 3.39Å; V484-V488 PolarHBondContact O-N 3.47Å; N486-V488 VanDerWaalsContact C-N 3.32Å; N486-V488 PolarHBondContact O-N 3.43Å; V488-S490 VanDerWaalsContact C-N 3.33Å; V488-S490 PolarHBondContact O-N 3.47Å; V488-G491 PolarHBondContact O-N 2.88Å; V488-G491 VanDerWaalsContact O-N 3.14Å; V488-H493 WeakPolarHBondContact CA-O 3.34Å; V488-I495 HydrophobicContact CG2-CG1 4.49Å; V488-P580 HydrophobicContact CG2-CB 4.4Å
489	K	74	Confident	76.1	Confident	153 Å²	153	70.8 Å²	70.8	67%	0.665	38%	0.382	S	S	*	.	H	α-helix	trans	-64.5	-33.2	179.2	-79.8	175.2	177.1	175.6	0	113.9	L485 N486 G491	L485-K489 HydrophobicContact CD1-CD 4.45Å; L485-K489 HydrophobicContact CG-CD 4.04Å; L485-K489 HydrophobicContact CG-CG 4.49Å; L485-K489 VanDerWaalsContact O-CB 3.25Å; L485-K489 WeakPolarHBondContact O-CB 3.21Å; L485-K489 WeakPolarHBondContact O-CG 3.34Å; L485-K489 PolarHBondContact O-N 3.11Å; N486-K489 PolarHBondContact O-N 3.15Å; K489-G491 PolarHBondContact O-N 2.81Å
490	S	63.7	Low	75.9	Confident	63 Å²	63	66.7 Å²	66.7	44%	0.441	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-1	176.6	56.1	0	0	0	0	113.5	N486 A487 V488 R492	N486-S490 VanDerWaalsContact O-CB 3.28Å; N486-S490 WeakPolarHBondContact O-CB 3.32Å; N486-S490 PolarHBondContact O-N 3.49Å; N486-S490 PolarHBondContact O-OG 2.72Å; A487-S490 PolarHBondContact O-OG 2.85Å; V488-S490 VanDerWaalsContact C-N 3.33Å; V488-S490 PolarHBondContact O-N 3.47Å; S490-R492 PolarHBondContact O-N 2.87Å; S490-R492 VanDerWaalsContact O-N 3.17Å; S490-R492 WeakPolarHBondContact OG-CD 3.48Å; S490-R492 WeakPolarHBondContact OG-CG 3.45Å
491	G	64.8	Low	75.9	Confident	66 Å²	66	64.5 Å²	64.5	68%	0.68	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.9	-2.2	179.9	0	0	0	0	0	115.1	V488 K489 H493	V488-G491 PolarHBondContact O-N 2.88Å; V488-G491 VanDerWaalsContact O-N 3.14Å; K489-G491 PolarHBondContact O-N 2.81Å; G491-H493 VanDerWaalsContact C-N 3.31Å; G491-H493 PolarHBondContact O-N 2.98Å
492	R	57.4	Low	76.1	Confident	131 Å²	131	63 Å²	63	49%	0.494	34%	0.337	S	S	.	.	S	Bend	trans	-64.7	-35.4	-178.6	-61.5	174.7	-169.3	-169.9	-5.5	112.5	E469 A487 S490	E469-R492 VanDerWaalsContact CD-NH2 3.3Å; E469-R492 IonicContact OE1-CZ 2.76Å; E469-R492 IonicContact OE1-NH1 3.93Å; E469-R492 PolarHBondContact OE1-NH1 3.35Å; E469-R492 IonicContact OE1-NH2 2.74Å; E469-R492 PolarHBondContact OE1-NH2 3.04Å; E469-R492 IonicContact OE2-CZ 3.11Å; E469-R492 IonicContact OE2-NH1 2.73Å; E469-R492 PolarHBondContact OE2-NH1 3.16Å; E469-R492 IonicContact OE2-NH2 2.69Å; E469-R492 PolarHBondContact OE2-NH2 3.47Å; A487-R492 PolarHBondContact O-N 3.29Å; S490-R492 PolarHBondContact O-N 2.87Å; S490-R492 VanDerWaalsContact O-N 3.17Å; S490-R492 WeakPolarHBondContact OG-CD 3.48Å; S490-R492 WeakPolarHBondContact OG-CG 3.45Å
493	H	58	Low	76.2	Confident	36 Å²	36	62.1 Å²	62.1	17%	0.167	33%	0.33	C	S	.	.			trans	-130.5	143.2	177.9	-73.6	-93.9	0	0	0	111.3	C474 A487 V488 G491	C474-H493 PolarHBondContact O-CE1 2.9Å; C474-H493 VanDerWaalsContact O-CE1 3.23Å; C474-H493 PolarHBondContact O-NE2 3Å; A487-H493 HydrophobicContact CB-CB 4.47Å; A487-H493 PolarHBondContact O-N 3.23Å; V488-H493 WeakPolarHBondContact CA-O 3.34Å; G491-H493 VanDerWaalsContact C-N 3.31Å; G491-H493 PolarHBondContact O-N 2.98Å
494	Q	68.5	Low	76.4	Confident	172 Å²	172	61.8 Å²	61.8	80%	0.804	34%	0.336	S	S	*	.	P	Polyproline II helix	trans	-72.9	173	154.8	-62.3	-173.8	9.6	0	0	108.8	P496	Q494-P496 WeakPolarHBondContact O-CD 3.44Å; Q494-P496 VanDerWaalsContact O-N 3.13Å
495	I	78.3	Confident	76.6	Confident	59 Å²	59	67.3 Å²	67.3	30%	0.303	36%	0.36	S	S	.	.	S	Bend	trans	-57.4	121.5	177.2	-60.8	169.5	0	0	0	108.5	V488 T497 P580 I583	V488-I495 HydrophobicContact CG2-CG1 4.49Å; I495-T497 PolarHBondContact O-N 3.37Å; I495-P580 HydrophobicContact CG1-CB 4.16Å; I495-P580 HydrophobicContact CG1-CG 4.27Å; I495-P580 HydrophobicContact CG2-CB 4.11Å; I495-P580 WeakPolarHBondContact CG2-O 3.31Å; I495-I583 HydrophobicContact CD1-CD1 3.86Å; I495-I583 HydrophobicContact CG2-CB 3.97Å; I495-I583 HydrophobicContact CG2-CG2 3.71Å
496	P	80.3	Confident	76.8	Confident	1 Å²	1	65.9 Å²	65.9	1%	0.006	35%	0.35	C	S	.	.	P	Polyproline II helix	trans	-52.6	123.4	-169.3	-31.2	35.8	0	0	0	113.6	P476 L478 V484 Q494 S584	P476-P496 HydrophobicContact CG-CG 4.18Å; L478-P496 HydrophobicContact CD2-CG 4.48Å; V484-P496 HydrophobicContact CG1-CG 4.5Å; Q494-P496 WeakPolarHBondContact O-CD 3.44Å; Q494-P496 VanDerWaalsContact O-N 3.13Å; P496-S584 PolarHBondContact O-OG 3.23Å
497	T	82.9	Confident	76.9	Confident	57 Å²	57	63.2 Å²	63.2	35%	0.35	34%	0.337	S	S	.	.	P	Polyproline II helix	trans	-70.8	158.9	178.5	63.6	0	0	0	0	111.1	I495 A499 E500 A501	I495-T497 PolarHBondContact O-N 3.37Å; T497-A499 PolarHBondContact O-N 3.19Å; T497-A499 PolarHBondContact OG1-N 3.48Å; T497-E500 VanDerWaalsContact CB-OE2 3.27Å; T497-E500 WeakPolarHBondContact CB-OE2 3.5Å; T497-E500 VanDerWaalsContact CG2-OE2 3.31Å; T497-E500 WeakPolarHBondContact CG2-OE2 3.3Å; T497-E500 PolarHBondContact N-OE2 2.87Å; T497-E500 PolarHBondContact O-N 3.4Å; T497-E500 VanDerWaalsContact O-N 3.1Å; T497-E500 WeakPolarHBondContact OG1-CG 3.33Å; T497-E500 PolarHBondContact OG1-N 3.12Å; T497-E500 PolarHBondContact OG1-OE2 2.58Å; T497-A501 WeakPolarHBondContact O-CB 3.43Å; T497-A501 PolarHBondContact O-N 3.18Å
498	R	82.7	Confident	77.6	Confident	39 Å²	39	65.8 Å²	65.8	15%	0.147	35%	0.348	C	S	.	.	H	α-helix	trans	-42.2	-41.2	165.8	177.6	-175.7	-175.5	72.8	5.3	113.3	L502 Q587 V588	R498-L502 HydrophobicContact CG-CD1 4.18Å; R498-L502 WeakPolarHBondContact O-CB 3.49Å; R498-L502 WeakPolarHBondContact O-CG 3.06Å; R498-L502 PolarHBondContact O-N 2.99Å; R498-Q587 HydrophobicContact CB-CB 4.18Å; R498-Q587 PolarHBondContact NH1-O 2.89Å; R498-V588 VanDerWaalsContact NH1-C 3.34Å; R498-V588 PolarHBondContact NH1-O 3.09Å
499	A	78.5	Confident	78.1	Confident	38 Å²	38	65.5 Å²	65.5	31%	0.314	34%	0.344	S	S	.	.	H	α-helix	trans	-72	-41.6	-175.7	0	0	0	0	0	112.2	T497 H503 D638	T497-A499 PolarHBondContact O-N 3.19Å; T497-A499 PolarHBondContact OG1-N 3.48Å; A499-H503 WeakPolarHBondContact O-CA 3.3Å; A499-H503 WeakPolarHBondContact O-CB 3.5Å; A499-H503 PolarHBondContact O-N 2.95Å; A499-H503 VanDerWaalsContact O-N 3.12Å; A499-D638 HydrophobicContact CB-CB 4.44Å
500	E	82.7	Confident	78.8	Confident	60 Å²	60	58.8 Å²	58.8	28%	0.28	32%	0.316	S	S	.	.	H	α-helix	trans	-71.4	-48.5	177.3	-67.7	159.1	122	0	0	111.5	T497 L502 H503	T497-E500 VanDerWaalsContact CB-OE2 3.27Å; T497-E500 WeakPolarHBondContact CB-OE2 3.5Å; T497-E500 VanDerWaalsContact CG2-OE2 3.31Å; T497-E500 WeakPolarHBondContact CG2-OE2 3.3Å; T497-E500 PolarHBondContact N-OE2 2.87Å; T497-E500 PolarHBondContact O-N 3.4Å; T497-E500 VanDerWaalsContact O-N 3.1Å; T497-E500 WeakPolarHBondContact OG1-CG 3.33Å; T497-E500 PolarHBondContact OG1-N 3.12Å; T497-E500 PolarHBondContact OG1-OE2 2.58Å; E500-L502 PolarHBondContact O-N 3.43Å; E500-H503 WeakPolarHBondContact O-CB 3.46Å; E500-H503 PolarHBondContact O-N 2.87Å
501	A	85.7	Confident	79.9	Confident	14 Å²	14	60.5 Å²	60.5	12%	0.116	31%	0.313	C	S	.	.	H	α-helix	trans	-60.1	-31.6	179.7	0	0	0	0	0	113.1	L478 T497 V588	L478-A501 HydrophobicContact CD1-CB 4.07Å; T497-A501 WeakPolarHBondContact O-CB 3.43Å; T497-A501 PolarHBondContact O-N 3.18Å; A501-V588 HydrophobicContact CB-CG2 4.06Å
502	L	86	Confident	81.1	Confident	31 Å²	31	58.7 Å²	58.7	16%	0.162	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.3	0.8	175.4	-62.5	177.2	0	0	0	113.7	R498 E500 F505 R506 V588	R498-L502 HydrophobicContact CG-CD1 4.18Å; R498-L502 WeakPolarHBondContact O-CB 3.49Å; R498-L502 WeakPolarHBondContact O-CG 3.06Å; R498-L502 PolarHBondContact O-N 2.99Å; E500-L502 PolarHBondContact O-N 3.43Å; L502-F505 PolarHBondContact O-N 3.22Å; L502-R506 HydrophobicContact CB-CG 4.26Å; L502-R506 WeakPolarHBondContact O-CB 3.31Å; L502-R506 WeakPolarHBondContact O-CD 3.21Å; L502-R506 WeakPolarHBondContact O-CG 3.26Å; L502-R506 PolarHBondContact O-N 3.28Å; L502-V588 HydrophobicContact CD1-CG1 4.38Å; L502-V588 HydrophobicContact CD1-CG2 4.46Å; L502-V588 HydrophobicContact CD2-CG1 4.06Å; L502-V588 HydrophobicContact CD2-CG2 4.39Å; L502-V588 HydrophobicContact CG-CG1 4.45Å; L502-V588 HydrophobicContact CG-CG2 4.15Å
503	H	83.6	Confident	82.6	Confident	99 Å²	99	54.5 Å²	54.5	46%	0.458	28%	0.275	S	S	.	.	H	α-helix	trans	-58.7	-57.5	-170.8	-176.2	90.2	0	0	0	111.8	A499 E500 F505 R506 T507	A499-H503 WeakPolarHBondContact O-CA 3.3Å; A499-H503 WeakPolarHBondContact O-CB 3.5Å; A499-H503 PolarHBondContact O-N 2.95Å; A499-H503 VanDerWaalsContact O-N 3.12Å; E500-H503 WeakPolarHBondContact O-CB 3.46Å; E500-H503 PolarHBondContact O-N 2.87Å; H503-F505 VanDerWaalsContact C-N 3.34Å; H503-F505 PolarHBondContact O-N 2.92Å; H503-R506 PolarHBondContact O-N 3.29Å; H503-T507 WeakPolarHBondContact O-CG2 3.35Å; H503-T507 PolarHBondContact O-N 2.61Å; H503-T507 PolarHBondContact O-OG1 3.23Å
504	S	86.1	Confident	84.1	Confident	67 Å²	67	58.8 Å²	58.8	47%	0.469	29%	0.294	S	S	.	.	H	α-helix	trans	-61.4	-41.1	-177.7	-47.3	0	0	0	0	112.2	R506 L508	S504-R506 PolarHBondContact O-N 2.74Å; S504-L508 VanDerWaalsContact O-CB 3.31Å; S504-L508 WeakPolarHBondContact O-CB 3.38Å; S504-L508 WeakPolarHBondContact O-CG 3.49Å; S504-L508 PolarHBondContact O-N 2.92Å; S504-L508 VanDerWaalsContact O-N 3.12Å
505	F	87.6	Confident	85.2	Confident	115 Å²	115	57.2 Å²	57.2	50%	0.504	28%	0.284	S	S	.	.	H	α-helix	trans	-63	-41.7	177.1	-65.1	-74.9	0	0	0	112	L502 H503 F509 Y516	L502-F505 PolarHBondContact O-N 3.22Å; H503-F505 VanDerWaalsContact C-N 3.34Å; H503-F505 PolarHBondContact O-N 2.92Å; F505-F509 WeakPolarHBondContact O-CB 3.41Å; F505-F509 PolarHBondContact O-N 2.7Å; F505-Y516 AromaticContact CD1-CE1 3.99Å; F505-Y516 HydrophobicContact CD1-CE1 3.99Å
506	R	83.8	Confident	85.8	Confident	38 Å²	38	60.5 Å²	60.5	14%	0.143	29%	0.294	C	S	.	.	H	α-helix	trans	-71.7	-47.5	179.2	-72.4	165.1	163.5	-176.8	-15.5	112.2	L502 H503 S504 S525 W530 D638	L502-R506 HydrophobicContact CB-CG 4.26Å; L502-R506 WeakPolarHBondContact O-CB 3.31Å; L502-R506 WeakPolarHBondContact O-CD 3.21Å; L502-R506 WeakPolarHBondContact O-CG 3.26Å; L502-R506 PolarHBondContact O-N 3.28Å; H503-R506 PolarHBondContact O-N 3.29Å; S504-R506 PolarHBondContact O-N 2.74Å; R506-S525 PolarHBondContact O-OG 2.93Å; R506-W530 HydrophobicContact CB-CD2 4.32Å; R506-W530 HydrophobicContact CB-CG 4.37Å; R506-W530 HydrophobicContact CB-CZ2 4.48Å; R506-W530 HydrophobicContact CG-CB 4.5Å; R506-W530 HydrophobicContact CG-CD2 3.86Å; R506-W530 HydrophobicContact CG-CE3 4.34Å; R506-W530 HydrophobicContact CG-CG 3.91Å; R506-W530 WeakPolarHBondContact O-CZ2 3.5Å; R506-W530 PolarHBondContact O-NE1 3.06Å; R506-D638 IonicContact CZ-OD2 3.78Å; R506-D638 IonicContact NH1-OD2 3.57Å; R506-D638 PolarHBondContact NH1-OD2 3.34Å; R506-D638 IonicContact NH2-OD2 2.74Å; R506-D638 PolarHBondContact NH2-OD2 3.33Å
507	T	80.9	Confident	86.1	Confident	32 Å²	32	66.7 Å²	66.7	20%	0.196	33%	0.327	C	S	.	.	H	α-helix	trans	-75.6	-29.6	-172.6	55.6	0	0	0	0	113.8	H503	H503-T507 WeakPolarHBondContact O-CG2 3.35Å; H503-T507 PolarHBondContact O-N 2.61Å; H503-T507 PolarHBondContact O-OG1 3.23Å
508	L	86.7	Confident	86.5	Confident	68 Å²	68	64.9 Å²	64.9	36%	0.356	32%	0.316	S	S	.	.	H	α-helix	trans	-92.3	-25.2	-179.5	-59.9	176.4	0	0	0	113.7	S504 C510 Y516 D517	S504-L508 VanDerWaalsContact O-CB 3.31Å; S504-L508 WeakPolarHBondContact O-CB 3.38Å; S504-L508 WeakPolarHBondContact O-CG 3.49Å; S504-L508 PolarHBondContact O-N 2.92Å; S504-L508 VanDerWaalsContact O-N 3.12Å; L508-C510 PolarHBondContact O-N 2.83Å; L508-Y516 HydrophobicContact CB-CD1 4.15Å; L508-Y516 CarbonylContact O-C 3.56Å; L508-Y516 WeakPolarHBondContact O-CA 3.38Å; L508-D517 PolarHBondContact O-N 2.97Å
509	F	88.4	Confident	86.7	Confident	36 Å²	36	65.3 Å²	65.3	16%	0.158	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	121.1	-174.5	-175	-94.7	0	0	0	113.1	F505 F514 Y516 S525 W530	F505-F509 WeakPolarHBondContact O-CB 3.41Å; F505-F509 PolarHBondContact O-N 2.7Å; F509-F514 HydrophobicContact CE2-CB 4.49Å; F509-F514 HydrophobicContact CZ-CB 4.15Å; F509-F514 HydrophobicContact CZ-CD1 4.09Å; F509-Y516 HydrophobicContact CB-CD1 3.76Å; F509-Y516 HydrophobicContact CB-CE1 3.67Å; F509-Y516 HydrophobicContact CD2-CD1 4.07Å; F509-Y516 AromaticContact CD2-CE1 3.75Å; F509-Y516 HydrophobicContact CD2-CE1 3.75Å; F509-Y516 HydrophobicContact CD2-CE2 4.32Å; F509-Y516 HydrophobicContact CD2-CG 4.48Å; F509-Y516 AromaticContact CD2-CZ 3.87Å; F509-Y516 HydrophobicContact CG-CD1 4.44Å; F509-Y516 HydrophobicContact CG-CE1 4.18Å; F509-S525 PolarHBondContact O-OG 3.42Å; F509-W530 HydrophobicContact CB-CH2 3.78Å; F509-W530 HydrophobicContact CB-CZ2 3.9Å; F509-W530 AromaticContact CD1-CH2 3.45Å; F509-W530 HydrophobicContact CD1-CH2 3.45Å; F509-W530 VanDerWaalsContact CD1-CH2 3.45Å; F509-W530 AromaticContact CD1-CZ2 3.93Å; F509-W530 HydrophobicContact CD1-CZ2 3.93Å; F509-W530 HydrophobicContact CE1-CH2 4.27Å; F509-W530 AromaticContact CG-CH2 3.9Å; F509-W530 HydrophobicContact CG-CH2 3.9Å; F509-W530 HydrophobicContact CG-CZ2 4.36Å
510	C	88.9	Confident	87.2	Confident	13 Å²	13	64.8 Å²	64.8	9%	0.088	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	113.2	170.3	-179.7	0	0	0	0	111.9	L508 R512 F514 K515 C518 H521	L508-C510 PolarHBondContact O-N 2.83Å; C510-R512 PolarHBondContact O-N 2.94Å; C510-R512 PolarHBondContact SG-N 2.83Å; C510-R512 VanDerWaalsContact SG-N 3.45Å; C510-F514 WeakPolarHBondContact O-CA 3.07Å; C510-F514 PolarHBondContact O-N 2.71Å; C510-K515 PolarHBondContact N-O 2.87Å; C510-C518 HydrophobicContact CB-CB 4.07Å; C510-C518 WeakPolarHBondContact CB-SG 3.47Å; C510-H521 PolarHBondContact SG-ND1 2.79Å
511	R	87	Confident	87.4	Confident	99 Å²	99	62.5 Å²	62.5	37%	0.374	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-13.6	178.8	-170.4	58.5	-177	84.8	-4.6	114.7	M529	R511-M529 HydrophobicContact CB-CE 3.74Å; R511-M529 HydrophobicContact CG-CE 3.98Å
512	R	88.3	Confident	86.9	Confident	28 Å²	28	65 Å²	65	11%	0.106	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.7	-47.7	177.2	-65.7	167.3	67.5	150.1	-4	112.3	C510 H521 Y762 F788 G965 D966	C510-R512 PolarHBondContact O-N 2.94Å; C510-R512 PolarHBondContact SG-N 2.83Å; C510-R512 VanDerWaalsContact SG-N 3.45Å; R512-H521 VanDerWaalsContact CZ-CD2 3.41Å; R512-H521 PolarHBondContact NE-CD2 3.11Å; R512-H521 VanDerWaalsContact NE-CD2 3.31Å; R512-H521 PolarHBondContact NE-NE2 2.79Å; R512-H521 VanDerWaalsContact NE-NE2 3.18Å; R512-H521 PolarHBondContact NH2-NE2 3.07Å; R512-Y762 PolarHBondContact NH1-O 3Å; R512-F788 HydrophobicContact CB-CE1 4.32Å; R512-F788 HydrophobicContact CB-CZ 4.39Å; R512-F788 HydrophobicContact CG-CD1 4.15Å; R512-F788 HydrophobicContact CG-CD2 4.22Å; R512-F788 HydrophobicContact CG-CE1 4.34Å; R512-F788 HydrophobicContact CG-CE2 4.4Å; R512-F788 HydrophobicContact CG-CG 4.08Å; R512-F788 HydrophobicContact CG-CZ 4.44Å; R512-G965 VanDerWaalsContact NH2-C 3.34Å; R512-G965 PolarHBondContact NH2-O 2.7Å; R512-D966 IonicContact CZ-OD1 2.69Å; R512-D966 IonicContact NE-OD1 3.58Å; R512-D966 IonicContact NH2-OD1 3.76Å; R512-D966 PolarHBondContact NH2-OD1 3.1Å
513	C	89.7	Confident	86.1	Confident	42 Å²	42	69.9 Å²	69.9	28%	0.284	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114	1.7	-174	72	0	0	0	0	115	K515 C518	C513-K515 PolarHBondContact O-N 3.3Å; C513-C518 WeakPolarHBondContact SG-CB 3.26Å
514	F	90.5	Very high	85.3	Confident	127 Å²	127	70.9 Å²	70.9	56%	0.557	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.7	38	177.6	-48.6	-91.6	0	0	0	114.4	F509 C510	F509-F514 HydrophobicContact CE2-CB 4.49Å; F509-F514 HydrophobicContact CZ-CB 4.15Å; F509-F514 HydrophobicContact CZ-CD1 4.09Å; C510-F514 WeakPolarHBondContact O-CA 3.07Å; C510-F514 PolarHBondContact O-N 2.71Å
515	K	91	Very high	84.4	Confident	138 Å²	138	68.8 Å²	68.8	60%	0.6	33%	0.33	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-125.8	148.9	175.6	-61.4	-171.1	178.8	-169	0	110.4	C510 C513 C518	C510-K515 PolarHBondContact N-O 2.87Å; C513-K515 PolarHBondContact O-N 3.3Å; K515-C518 HydrophobicContact CB-CB 4.14Å
516	Y	91	Very high	83.3	Confident	129 Å²	129	65.9 Å²	65.9	51%	0.506	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	142.5	161.9	-57.9	-79.1	0	0	0	109.2	F505 L508 F509 C518	F505-Y516 AromaticContact CD1-CE1 3.99Å; F505-Y516 HydrophobicContact CD1-CE1 3.99Å; L508-Y516 HydrophobicContact CB-CD1 4.15Å; L508-Y516 CarbonylContact O-C 3.56Å; L508-Y516 WeakPolarHBondContact O-CA 3.38Å; F509-Y516 HydrophobicContact CB-CD1 3.76Å; F509-Y516 HydrophobicContact CB-CE1 3.67Å; F509-Y516 HydrophobicContact CD2-CD1 4.07Å; F509-Y516 AromaticContact CD2-CE1 3.75Å; F509-Y516 HydrophobicContact CD2-CE1 3.75Å; F509-Y516 HydrophobicContact CD2-CE2 4.32Å; F509-Y516 HydrophobicContact CD2-CG 4.48Å; F509-Y516 AromaticContact CD2-CZ 3.87Å; F509-Y516 HydrophobicContact CG-CD1 4.44Å; F509-Y516 HydrophobicContact CG-CE1 4.18Å; Y516-C518 PolarHBondContact O-N 3.25Å
517	D	86.9	Confident	82.1	Confident	130 Å²	130	69.6 Å²	69.6	70%	0.695	34%	0.341	S	S	*	.	S	Bend	trans	45.3	63.9	177.1	-156.8	39	0	0	0	113.4	L508 A519	L508-D517 PolarHBondContact O-N 2.97Å; D517-A519 PolarHBondContact O-N 2.79Å
518	C	89.8	Confident	81.2	Confident	19 Å²	19	69.1 Å²	69.1	13%	0.128	34%	0.339	C	S	.	.			trans	-83.9	121.8	-169.6	78.1	0	0	0	0	112.9	C510 C513 K515 Y516 L520 H521	C510-C518 HydrophobicContact CB-CB 4.07Å; C510-C518 WeakPolarHBondContact CB-SG 3.47Å; C513-C518 WeakPolarHBondContact SG-CB 3.26Å; K515-C518 HydrophobicContact CB-CB 4.14Å; Y516-C518 PolarHBondContact O-N 3.25Å; C518-L520 PolarHBondContact O-N 3.46Å; C518-H521 PolarHBondContact O-N 3.27Å
519	A	87.9	Confident	80.3	Confident	48 Å²	48	66.9 Å²	66.9	40%	0.397	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.1	34.5	175.5	0	0	0	0	0	114.7	F190 S191 D517	F190-A519 CarbonylContact C-O 3.58Å; F190-A519 WeakPolarHBondContact CA-O 3.23Å; F190-A519 HydrophobicContact CD2-CB 3.79Å; F190-A519 HydrophobicContact CE1-CB 4.33Å; F190-A519 HydrophobicContact CE2-CB 3.47Å; F190-A519 VanDerWaalsContact CE2-CB 3.47Å; F190-A519 HydrophobicContact CG-CB 4.36Å; F190-A519 HydrophobicContact CZ-CB 3.76Å; S191-A519 PolarHBondContact N-O 2.99Å; D517-A519 PolarHBondContact O-N 2.79Å
520	L	88.8	Confident	79.2	Confident	27 Å²	27	69.2 Å²	69.2	14%	0.141	33%	0.334	C	S	.	.	T	Hydrogen-bonded Turn	trans	-136.1	-23.6	174.9	-177.9	60	0	0	0	112.7	N189 C518 I906	N189-L520 HydrophobicContact CB-CD1 3.98Å; C518-L520 PolarHBondContact O-N 3.46Å; L520-I906 HydrophobicContact CD1-CD1 3.65Å
521	H	87.6	Confident	77.8	Confident	12 Å²	12	72.1 Å²	72.1	6%	0.056	36%	0.355	C	S	.	.			trans	-129.7	98	-177.8	-51.5	125.9	0	0	0	109.3	C510 R512 C518 Y523 D966	C510-H521 PolarHBondContact SG-ND1 2.79Å; R512-H521 VanDerWaalsContact CZ-CD2 3.41Å; R512-H521 PolarHBondContact NE-CD2 3.11Å; R512-H521 VanDerWaalsContact NE-CD2 3.31Å; R512-H521 PolarHBondContact NE-NE2 2.79Å; R512-H521 VanDerWaalsContact NE-NE2 3.18Å; R512-H521 PolarHBondContact NH2-NE2 3.07Å; C518-H521 PolarHBondContact O-N 3.27Å; H521-Y523 PolarHBondContact O-N 3.21Å; H521-D966 IonicContact CD2-OD1 3.67Å; H521-D966 IonicContact CE1-OD1 3.14Å; H521-D966 IonicContact NE2-OD1 2.71Å; H521-D966 PolarHBondContact NE2-OD1 2.83Å; H521-D966 IonicContact NE2-OD2 3.54Å
522	P	73.9	Confident	76.1	Confident	66 Å²	66	72.7 Å²	72.7	43%	0.429	36%	0.362	S	S	.	.			trans	-67.9	-15.9	-176.3	26.4	-34.4	0	0	0	113.5	K524	P522-K524 PolarHBondContact O-N 2.88Å
523	Y	69.3	Low	74.3	Confident	135 Å²	135	82.6 Å²	82.6	53%	0.529	40%	0.399	S	S	.	.	S	Bend	trans	-80.3	111.9	-179.9	-63.9	-86.2	0	0	0	112	H521 H763	H521-Y523 PolarHBondContact O-N 3.21Å; Y523-H763 AromaticContact CD2-CD2 3.66Å; Y523-H763 AromaticContact CD2-NE2 3.77Å; Y523-H763 AromaticContact CE2-CD2 3.38Å; Y523-H763 WeakPolarHBondContact CE2-CD2 3.38Å; Y523-H763 AromaticContact CE2-NE2 3.04Å; Y523-H763 WeakPolarHBondContact CE2-NE2 3.45Å; Y523-H763 AromaticContact CZ-CD2 3.71Å; Y523-H763 AromaticContact CZ-NE2 3.4Å; Y523-H763 PolarHBondContact OH-NE2 3.32Å
524	K	66.9	Low	72.3	Confident	119 Å²	119	87.9 Å²	87.9	52%	0.517	41%	0.413	S	S	.	.	P	Polyproline II helix	trans	-59	146.3	168.3	-61.6	-175	-179.9	-178.3	0	110.3	P522	P522-K524 PolarHBondContact O-N 2.88Å
525	S	67.1	Low	70.2	Confident	23 Å²	23	86.4 Å²	86.4	16%	0.161	42%	0.416	C	S	.	.	P	Polyproline II helix	trans	-67.1	138.2	-177.1	56.8	0	0	0	0	111.7	R506 F509 W530	R506-S525 PolarHBondContact O-OG 2.93Å; F509-S525 PolarHBondContact O-OG 3.42Å; S525-W530 PolarHBondContact OG-NE1 2.95Å
526	T	64	Low	68.1	Low	55 Å²	55	81.3 Å²	81.3	34%	0.337	39%	0.394	S	S	.	.	P	Polyproline II helix	trans	-75.4	157.5	179.5	74.1	0	0	0	0	111	S528 M529 D766	T526-S528 PolarHBondContact O-N 3.44Å; T526-S528 PolarHBondContact OG1-OG 3.06Å; T526-M529 PolarHBondContact N-SD 3.06Å; T526-M529 WeakPolarHBondContact O-CB 3.17Å; T526-M529 WeakPolarHBondContact O-CG 3.44Å; T526-M529 PolarHBondContact O-N 3.16Å; T526-M529 VanDerWaalsContact O-N 3.15Å; T526-M529 WeakPolarHBondContact OG1-CG 3.42Å; T526-D766 WeakPolarHBondContact CB-OD2 3.5Å; T526-D766 HydrophobicContact CG2-CB 4.45Å; T526-D766 PolarHBondContact OG1-OD2 3.31Å
527	Q	59.8	Low	66	Low	116 Å²	116	80.9 Å²	80.9	54%	0.542	40%	0.404	S	S	.	.	G	3₁₀ helix	trans	-61	-30.6	-175.4	-166.1	175.9	21.8	0	0	113.1	M529 W530 S531 D638	Q527-M529 VanDerWaalsContact C-N 3.33Å; Q527-M529 PolarHBondContact O-N 2.96Å; Q527-W530 PolarHBondContact O-N 3.29Å; Q527-S531 PolarHBondContact O-N 3.01Å; Q527-D638 PolarHBondContact NE2-O 2.94Å
528	S	62.6	Low	64.1	Low	22 Å²	22	78.1 Å²	78.1	15%	0.154	40%	0.4	C	S	.	.	G	3₁₀ helix	trans	-69.4	-29.2	179.6	68	0	0	0	0	113.2	T526 W530 S531 D766	T526-S528 PolarHBondContact O-N 3.44Å; T526-S528 PolarHBondContact OG1-OG 3.06Å; S528-W530 PolarHBondContact O-N 3.14Å; S528-W530 VanDerWaalsContact O-N 3.09Å; S528-S531 WeakPolarHBondContact CA-OG 3.4Å; S528-S531 PolarHBondContact O-N 3.41Å; S528-S531 PolarHBondContact O-OG 3.41Å; S528-D766 WeakPolarHBondContact CB-OD1 3.33Å; S528-D766 PolarHBondContact OG-OD1 3.18Å; S528-D766 PolarHBondContact OG-OD2 3.22Å
529	M	67	Low	62.1	Low	20 Å²	20	79.2 Å²	79.2	10%	0.099	41%	0.407	C	S	.	.	G	3₁₀ helix	trans	-58.5	-23.9	173.5	-52.1	-174.1	77.9	0	0	112.4	R511 T526 Q527 H532 Q790	R511-M529 HydrophobicContact CB-CE 3.74Å; R511-M529 HydrophobicContact CG-CE 3.98Å; T526-M529 PolarHBondContact N-SD 3.06Å; T526-M529 WeakPolarHBondContact O-CB 3.17Å; T526-M529 WeakPolarHBondContact O-CG 3.44Å; T526-M529 PolarHBondContact O-N 3.16Å; T526-M529 VanDerWaalsContact O-N 3.15Å; T526-M529 WeakPolarHBondContact OG1-CG 3.42Å; Q527-M529 VanDerWaalsContact C-N 3.33Å; Q527-M529 PolarHBondContact O-N 2.96Å; M529-H532 PolarHBondContact O-CD2 3Å; M529-H532 VanDerWaalsContact O-CD2 3.31Å; M529-Q790 HydrophobicContact CG-CG 3.92Å
530	W	65	Low	60.2	Low	85 Å²	85	77.8 Å²	77.8	32%	0.322	39%	0.394	S	S	.	.	G	3₁₀ helix	trans	-99.8	-14.5	176.5	-57.2	105.9	0	0	0	113.5	R506 F509 S525 Q527 S528 H532	R506-W530 HydrophobicContact CB-CD2 4.32Å; R506-W530 HydrophobicContact CB-CG 4.37Å; R506-W530 HydrophobicContact CB-CZ2 4.48Å; R506-W530 HydrophobicContact CG-CB 4.5Å; R506-W530 HydrophobicContact CG-CD2 3.86Å; R506-W530 HydrophobicContact CG-CE3 4.34Å; R506-W530 HydrophobicContact CG-CG 3.91Å; R506-W530 WeakPolarHBondContact O-CZ2 3.5Å; R506-W530 PolarHBondContact O-NE1 3.06Å; F509-W530 HydrophobicContact CB-CH2 3.78Å; F509-W530 HydrophobicContact CB-CZ2 3.9Å; F509-W530 AromaticContact CD1-CH2 3.45Å; F509-W530 HydrophobicContact CD1-CH2 3.45Å; F509-W530 VanDerWaalsContact CD1-CH2 3.45Å; F509-W530 AromaticContact CD1-CZ2 3.93Å; F509-W530 HydrophobicContact CD1-CZ2 3.93Å; F509-W530 HydrophobicContact CE1-CH2 4.27Å; F509-W530 AromaticContact CG-CH2 3.9Å; F509-W530 HydrophobicContact CG-CH2 3.9Å; F509-W530 HydrophobicContact CG-CZ2 4.36Å; S525-W530 PolarHBondContact OG-NE1 2.95Å; Q527-W530 PolarHBondContact O-N 3.29Å; S528-W530 PolarHBondContact O-N 3.14Å; S528-W530 VanDerWaalsContact O-N 3.09Å; W530-H532 VanDerWaalsContact C-N 3.28Å; W530-H532 PolarHBondContact O-N 3.29Å
531	S	58.9	Low	58.3	Low	74 Å²	74	82.1 Å²	82.1	52%	0.517	42%	0.417	S	S	.	.			trans	-90.5	16.3	179.7	85.4	0	0	0	0	113.1	Q527 S528 R533	Q527-S531 PolarHBondContact O-N 3.01Å; S528-S531 WeakPolarHBondContact CA-OG 3.4Å; S528-S531 PolarHBondContact O-N 3.41Å; S528-S531 PolarHBondContact O-OG 3.41Å; S531-R533 PolarHBondContact O-N 2.91Å
532	H	53.2	Low	56.6	Low	112 Å²	112	84 Å²	84	52%	0.519	43%	0.43	S	S	.	.			trans	-54.9	112.6	172.4	-80.1	-51.1	0	0	0	109.8	M529 W530 W534 Q790	M529-H532 PolarHBondContact O-CD2 3Å; M529-H532 VanDerWaalsContact O-CD2 3.31Å; W530-H532 VanDerWaalsContact C-N 3.28Å; W530-H532 PolarHBondContact O-N 3.29Å; H532-W534 PolarHBondContact O-N 3.3Å; H532-Q790 PolarHBondContact CE1-OE1 2.84Å; H532-Q790 PolarHBondContact NE2-OE1 3.35Å
533	R	50	Low	55.7	Low	235 Å²	235	88.1 Å²	88.1	89%	0.887	44%	0.443	S	S	*	.			trans	-56	108.5	163.9	-92.7	-179.2	-89.8	-107.4	-2.2	107.9	S531 P535	S531-R533 PolarHBondContact O-N 2.91Å; R533-P535 WeakPolarHBondContact O-CD 3.43Å
534	W	47.8	Very low	55.2	Low	154 Å²	154	86.4 Å²	86.4	58%	0.583	45%	0.451	S	S	*	.			trans	-51.8	128.4	168.3	-100	79.1	0	0	0	108.6	H532 F536 S539	H532-W534 PolarHBondContact O-N 3.3Å; W534-F536 PolarHBondContact O-N 3.42Å; W534-S539 WeakPolarHBondContact CZ3-OG 3.34Å
535	P	46.8	Very low	54.9	Low	95 Å²	95	87.4 Å²	87.4	62%	0.617	46%	0.462	S	S	*	.			trans	-64.8	98.1	171.2	-20.9	33.6	0	0	0	108.9	R533 V537 A538	R533-P535 WeakPolarHBondContact O-CD 3.43Å; P535-V537 PolarHBondContact O-N 3.03Å; P535-A538 PolarHBondContact O-N 3.36Å
536	F	46.6	Very low	55	Low	32 Å²	32	87.5 Å²	87.5	14%	0.14	46%	0.464	C	S	.	.	H	α-helix	trans	-61	-0.2	-176.3	-107.7	-73.3	0	0	0	114.7	W534 A538 T540 I594 P595 Y598	W534-F536 PolarHBondContact O-N 3.42Å; F536-A538 VanDerWaalsContact C-N 3.34Å; F536-T540 HydrophobicContact CD1-CG2 3.89Å; F536-T540 HydrophobicContact CE1-CG2 3.94Å; F536-T540 PolarHBondContact O-OG1 3.19Å; F536-I594 WeakPolarHBondContact CZ-O 3.44Å; F536-P595 HydrophobicContact CD1-CB 3.69Å; F536-P595 HydrophobicContact CE1-CB 3.58Å; F536-P595 HydrophobicContact CZ-CB 4.33Å; F536-Y598 HydrophobicContact CB-CD2 4.48Å; F536-Y598 HydrophobicContact CB-CE2 4.02Å; F536-Y598 HydrophobicContact CD2-CE2 4.04Å; F536-Y598 HydrophobicContact CG-CD2 4.45Å; F536-Y598 HydrophobicContact CG-CE2 4.11Å
537	V	45.8	Very low	55.3	Low	119 Å²	119	90.5 Å²	90.5	72%	0.721	48%	0.484	S	S	*	.	H	α-helix	trans	-79.2	-13.1	178.6	-153.9	0	0	0	0	113	P535 N541	P535-V537 PolarHBondContact O-N 3.03Å; V537-N541 PolarHBondContact O-ND2 2.8Å
538	A	46.5	Very low	56.3	Low	72 Å²	72	90 Å²	90	60%	0.595	48%	0.478	S	S	*	.	H	α-helix	trans	-103.8	-43	-179.1	0	0	0	0	0	113.7	P535 F536	P535-A538 PolarHBondContact O-N 3.36Å; F536-A538 VanDerWaalsContact C-N 3.34Å
539	S	48.7	Very low	57.1	Low	42 Å²	42	91 Å²	91	29%	0.294	49%	0.485	S	S	.	.	H	α-helix	trans	-85.1	-20.5	-164.1	-44.3	0	0	0	0	115.4	W534	W534-S539 WeakPolarHBondContact CZ3-OG 3.34Å
540	T	48.6	Very low	57.7	Low	18 Å²	18	91.9 Å²	91.9	11%	0.11	50%	0.498	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.6	4.6	-179.1	57.3	0	0	0	0	114.1	F536 V542 P595	F536-T540 HydrophobicContact CD1-CG2 3.89Å; F536-T540 HydrophobicContact CE1-CG2 3.94Å; F536-T540 PolarHBondContact O-OG1 3.19Å; T540-V542 PolarHBondContact O-N 2.74Å; T540-P595 HydrophobicContact CG2-CB 4.18Å; T540-P595 HydrophobicContact CG2-CG 4.24Å
541	N	47.4	Very low	58.4	Low	119 Å²	119	92.8 Å²	92.8	64%	0.636	51%	0.513	S	S	*	.			trans	-77.5	43.7	171.5	-63.9	-10.2	0	0	0	111.5	V537 E543	V537-N541 PolarHBondContact O-ND2 2.8Å; N541-E543 PolarHBondContact O-N 2.92Å
542	V	52.4	Low	59.4	Low	52 Å²	52	95.1 Å²	95.1	32%	0.315	51%	0.511	S	S	.	.			trans	-62.3	110.7	152	172	0	0	0	0	105.1	T540 A546 N605	T540-V542 PolarHBondContact O-N 2.74Å; V542-A546 HydrophobicContact CG1-CB 3.36Å; V542-N605 HydrophobicContact CB-CB 4.17Å; V542-N605 HydrophobicContact CG1-CB 4.33Å; V542-N605 PolarHBondContact O-ND2 3.47Å; V542-N605 VanDerWaalsContact O-ND2 3.09Å
543	E	55.7	Low	60.9	Low	152 Å²	152	89.8 Å²	89.8	71%	0.71	49%	0.486	S	S	*	.			trans	-53.2	151.2	-177.3	-63.1	177.7	146	0	0	110.9	N541 D545 A546	N541-E543 PolarHBondContact O-N 2.92Å; E543-D545 PolarHBondContact O-N 2.87Å; E543-A546 VanDerWaalsContact O-CB 3.24Å; E543-A546 WeakPolarHBondContact O-CB 3.47Å; E543-A546 PolarHBondContact O-N 2.69Å
544	S	57.4	Low	62.5	Low	98 Å²	98	79 Å²	79	69%	0.685	45%	0.447	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50	-32.1	177.7	40.4	0	0	0	0	112.7	R555	S544-R555 PolarHBondContact O-NH2 2.84Å
545	D	62.3	Low	64.1	Low	140 Å²	140	72.6 Å²	72.6	75%	0.749	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.3	-3.6	-170.3	-56.6	20.3	0	0	0	111.8	E543	E543-D545 PolarHBondContact O-N 2.87Å
546	A	67.6	Low	65.6	Low	26 Å²	26	70.1 Å²	70.1	22%	0.215	40%	0.402	C	S	.	.	P	Polyproline II helix	trans	-61.4	135.3	-178.9	0	0	0	0	0	111.6	V542 E543 R555	V542-A546 HydrophobicContact CG1-CB 3.36Å; E543-A546 VanDerWaalsContact O-CB 3.24Å; E543-A546 WeakPolarHBondContact O-CB 3.47Å; E543-A546 PolarHBondContact O-N 2.69Å; A546-R555 PolarHBondContact O-NH1 3.43Å; A546-R555 PolarHBondContact O-NH2 3.09Å
547	P	72.1	Confident	66.7	Low	117 Å²	117	72.3 Å²	72.3	76%	0.76	41%	0.412	S	S	*	.	P	Polyproline II helix	trans	-62.9	145.1	-168.6	24.6	-34.9	0	0	0	113.1	C549	P547-C549 PolarHBondContact O-N 2.9Å
548	Y	79.4	Confident	67.8	Low	107 Å²	107	68.7 Å²	68.7	42%	0.42	39%	0.39	S	S	.	.	P	Polyproline II helix	trans	-61.3	134.3	172.6	-51.9	-72.1	0	0	0	110.7	G550 R555 Q556 D559	Y548-G550 PolarHBondContact O-N 3.42Å; Y548-R555 HydrophobicContact CD1-CB 3.92Å; Y548-R555 HydrophobicContact CE1-CB 3.95Å; Y548-Q556 VanDerWaalsContact CB-NE2 3.33Å; Y548-Q556 HydrophobicContact CD1-CB 4.48Å; Y548-Q556 HydrophobicContact CD1-CG 3.39Å; Y548-Q556 HydrophobicContact CD2-CG 3.84Å; Y548-Q556 HydrophobicContact CE1-CB 4.49Å; Y548-Q556 HydrophobicContact CE1-CG 3.66Å; Y548-Q556 HydrophobicContact CE2-CG 4.1Å; Y548-Q556 HydrophobicContact CG-CG 3.47Å; Y548-Q556 VanDerWaalsContact CG-CG 3.47Å; Y548-D559 PolarHBondContact OH-OD2 3.13Å
549	C	80.5	Confident	68.5	Low	43 Å²	43	69.3 Å²	69.3	29%	0.291	38%	0.384	S	S	.	.	S	Bend	trans	-73.5	31.2	-179.6	67.2	0	0	0	0	114.5	P547 C608 C619	P547-C549 PolarHBondContact O-N 2.9Å; C549-C608 HydrophobicContact CB-CB 4.11Å; C549-C608 VanDerWaalsContact SG-SG 3.7Å; C549-C619 WeakPolarHBondContact SG-CB 3.43Å
550	G	79	Confident	68.8	Low	37 Å²	37	73.9 Å²	73.9	38%	0.381	40%	0.398	S	S	.	.	S	Bend	trans	115.8	-179.4	-178.3	0	0	0	0	0	114.5	Y548 W552 C553 Q556	Y548-G550 PolarHBondContact O-N 3.42Å; G550-W552 PolarHBondContact O-N 3.23Å; G550-C553 WeakPolarHBondContact O-CB 3.47Å; G550-C553 PolarHBondContact O-N 3.41Å; G550-C553 VanDerWaalsContact O-N 3.17Å; G550-Q556 PolarHBondContact O-NE2 3.17Å
551	V	80.5	Confident	69	Low	105 Å²	105	80.9 Å²	80.9	64%	0.636	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.1	-14.1	-176	-58.6	0	0	0	0	114.3
552	W	79	Confident	68.9	Low	123 Å²	123	82 Å²	82	47%	0.466	44%	0.436	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.6	20.9	175.9	-55.2	102.1	0	0	0	112.3	G550 I571 K618 S620	G550-W552 PolarHBondContact O-N 3.23Å; W552-I571 HydrophobicContact CZ3-CG2 4.35Å; W552-K618 HydrophobicContact CB-CB 4.12Å; W552-K618 HydrophobicContact CB-CD 4.04Å; W552-K618 HydrophobicContact CD2-CD 4.3Å; W552-K618 HydrophobicContact CG-CD 3.72Å; W552-S620 PolarHBondContact O-N 2.73Å
553	C	85.1	Confident	68.2	Low	0 Å²	0	87.2 Å²	87.2	0%	0	46%	0.456	C	S	.	.			trans	-77.2	119	178.4	-179.3	0	0	0	0	111.1	G550 R555 Q556 F557	G550-C553 WeakPolarHBondContact O-CB 3.47Å; G550-C553 PolarHBondContact O-N 3.41Å; G550-C553 VanDerWaalsContact O-N 3.17Å; C553-R555 PolarHBondContact O-N 3.37Å; C553-R555 VanDerWaalsContact O-N 3.14Å; C553-Q556 HydrophobicContact CB-CG 4.28Å; C553-Q556 WeakPolarHBondContact O-CB 3.34Å; C553-Q556 PolarHBondContact O-N 3.05Å; C553-F557 WeakPolarHBondContact O-CD2 3.48Å
554	V	83.2	Confident	67.4	Low	9 Å²	9	88.8 Å²	88.8	6%	0.055	46%	0.463	C	S	.	.	H	α-helix	trans	-48.7	-42.3	178.9	171.1	0	0	0	0	112.5	Q556 F557 T558 Y604 C619 L623	V554-Q556 PolarHBondContact O-N 2.92Å; V554-F557 WeakPolarHBondContact O-CB 3.19Å; V554-F557 PolarHBondContact O-N 3.18Å; V554-T558 HydrophobicContact CG1-CG2 4.19Å; V554-T558 PolarHBondContact O-N 2.9Å; V554-T558 VanDerWaalsContact O-N 3.15Å; V554-Y604 HydrophobicContact CB-CG 4.48Å; V554-Y604 HydrophobicContact CG1-CD1 3.78Å; V554-Y604 HydrophobicContact CG1-CD2 3.9Å; V554-Y604 HydrophobicContact CG1-CE1 4.31Å; V554-Y604 HydrophobicContact CG1-CE2 4.43Å; V554-Y604 HydrophobicContact CG1-CG 3.53Å; V554-C619 WeakPolarHBondContact CG2-O 3.49Å; V554-C619 PolarHBondContact N-SG 2.8Å; V554-C619 VanDerWaalsContact N-SG 3.37Å; V554-L623 HydrophobicContact CB-CD2 4.38Å; V554-L623 HydrophobicContact CG1-CD2 3.72Å; V554-L623 HydrophobicContact CG2-CB 3.9Å; V554-L623 HydrophobicContact CG2-CD2 3.68Å; V554-L623 HydrophobicContact CG2-CG 4.44Å
555	R	81.7	Confident	66.2	Low	19 Å²	19	92.2 Å²	92.2	7%	0.072	47%	0.468	C	S	.	.	H	α-helix	trans	-54.4	-37.8	-179.6	-67.9	172	58.7	-149.4	-6.3	112.6	S544 A546 Y548 C553 F557 T558 D559 L603 N605	S544-R555 PolarHBondContact O-NH2 2.84Å; A546-R555 PolarHBondContact O-NH1 3.43Å; A546-R555 PolarHBondContact O-NH2 3.09Å; Y548-R555 HydrophobicContact CD1-CB 3.92Å; Y548-R555 HydrophobicContact CE1-CB 3.95Å; C553-R555 PolarHBondContact O-N 3.37Å; C553-R555 VanDerWaalsContact O-N 3.14Å; R555-F557 PolarHBondContact O-N 3.37Å; R555-T558 WeakPolarHBondContact CA-OG1 3.49Å; R555-T558 PolarHBondContact O-N 3.36Å; R555-T558 PolarHBondContact O-OG1 3.3Å; R555-D559 WeakPolarHBondContact O-CB 3.27Å; R555-D559 PolarHBondContact O-N 3.4Å; R555-L603 WeakPolarHBondContact CG-O 3.47Å; R555-N605 WeakPolarHBondContact CD-OD1 3.39Å; R555-N605 PolarHBondContact NE-OD1 2.8Å
556	Q	77.5	Confident	64.6	Low	42 Å²	42	92.5 Å²	92.5	20%	0.196	47%	0.47	C	S	.	.	H	α-helix	trans	-65.1	-24	177.1	-65	-168.9	8.5	0	0	113.9	Y548 G550 C553 V554 K560	Y548-Q556 VanDerWaalsContact CB-NE2 3.33Å; Y548-Q556 HydrophobicContact CD1-CB 4.48Å; Y548-Q556 HydrophobicContact CD1-CG 3.39Å; Y548-Q556 HydrophobicContact CD2-CG 3.84Å; Y548-Q556 HydrophobicContact CE1-CB 4.49Å; Y548-Q556 HydrophobicContact CE1-CG 3.66Å; Y548-Q556 HydrophobicContact CE2-CG 4.1Å; Y548-Q556 HydrophobicContact CG-CG 3.47Å; Y548-Q556 VanDerWaalsContact CG-CG 3.47Å; G550-Q556 PolarHBondContact O-NE2 3.17Å; C553-Q556 HydrophobicContact CB-CG 4.28Å; C553-Q556 WeakPolarHBondContact O-CB 3.34Å; C553-Q556 PolarHBondContact O-N 3.05Å; V554-Q556 PolarHBondContact O-N 2.92Å; Q556-K560 WeakPolarHBondContact O-CD 3.39Å; Q556-K560 WeakPolarHBondContact O-CE 3.43Å; Q556-K560 WeakPolarHBondContact O-CG 3.45Å
557	F	70.6	Confident	63	Low	78 Å²	78	98.6 Å²	98.6	34%	0.342	50%	0.498	S	S	.	.	H	α-helix	trans	-87.5	-38.2	177.9	-62.7	-84.3	0	0	0	111	C553 V554 R555 K560 Q561 I571	C553-F557 WeakPolarHBondContact O-CD2 3.48Å; V554-F557 WeakPolarHBondContact O-CB 3.19Å; V554-F557 PolarHBondContact O-N 3.18Å; R555-F557 PolarHBondContact O-N 3.37Å; F557-K560 PolarHBondContact O-N 3.15Å; F557-Q561 WeakPolarHBondContact O-CG 3.5Å; F557-Q561 PolarHBondContact O-N 3.24Å; F557-Q561 VanDerWaalsContact O-N 3.13Å; F557-I571 HydrophobicContact CZ-CD1 4.34Å
558	T	67.6	Low	61.1	Low	44 Å²	44	100.1 Å²	100.1	27%	0.27	50%	0.5	S	S	.	.	H	α-helix	trans	-67.7	-42.2	177.7	54.2	0	0	0	0	112	V554 R555 K560 Q561 Y604	V554-T558 HydrophobicContact CG1-CG2 4.19Å; V554-T558 PolarHBondContact O-N 2.9Å; V554-T558 VanDerWaalsContact O-N 3.15Å; R555-T558 WeakPolarHBondContact CA-OG1 3.49Å; R555-T558 PolarHBondContact O-N 3.36Å; R555-T558 PolarHBondContact O-OG1 3.3Å; T558-K560 PolarHBondContact O-N 2.99Å; T558-Q561 PolarHBondContact O-N 3.29Å; T558-Y604 HydrophobicContact CG2-CD2 3.88Å; T558-Y604 HydrophobicContact CG2-CE2 3.65Å
559	D	62.1	Low	58.9	Low	85 Å²	85	102.1 Å²	102.1	46%	0.455	52%	0.518	S	S	.	.	H	α-helix	trans	-65.8	-28.3	178.9	-63	-22.7	0	0	0	111.9	Y548 R555	Y548-D559 PolarHBondContact OH-OD2 3.13Å; R555-D559 WeakPolarHBondContact O-CB 3.27Å; R555-D559 PolarHBondContact O-N 3.4Å
560	K	55.8	Low	56.9	Low	138 Å²	138	111 Å²	111	60%	0.6	55%	0.546	S	S	*	.	H	α-helix	trans	-83.6	-26.2	178.2	-70.5	175.6	-167.7	164.7	0	114	Q556 F557 T558 N562 H563	Q556-K560 WeakPolarHBondContact O-CD 3.39Å; Q556-K560 WeakPolarHBondContact O-CE 3.43Å; Q556-K560 WeakPolarHBondContact O-CG 3.45Å; F557-K560 PolarHBondContact O-N 3.15Å; T558-K560 PolarHBondContact O-N 2.99Å; K560-N562 PolarHBondContact O-N 3.26Å; K560-H563 PolarHBondContact O-N 3.48Å
561	Q	52.1	Low	55.3	Low	164 Å²	164	112.2 Å²	112.2	77%	0.766	54%	0.543	S	S	*	.	H	α-helix	trans	-68.2	-13.3	-177.7	-81.7	-177.6	13.8	0	0	114.3	F557 T558 H563	F557-Q561 WeakPolarHBondContact O-CG 3.5Å; F557-Q561 PolarHBondContact O-N 3.24Å; F557-Q561 VanDerWaalsContact O-N 3.13Å; T558-Q561 PolarHBondContact O-N 3.29Å; Q561-H563 VanDerWaalsContact C-N 3.25Å; Q561-H563 PolarHBondContact O-N 3.29Å
562	N	45.5	Very low	53.4	Low	144 Å²	144	114 Å²	114	77%	0.77	55%	0.549	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.6	-4.6	170.4	-76	-37.1	0	0	0	114.2	K560	K560-N562 PolarHBondContact O-N 3.26Å
563	H	38.4	Very low	52	Low	160 Å²	160	112.8 Å²	112.8	74%	0.741	55%	0.548	S	S	*	.	S	Bend	trans	-130.9	93.1	179.4	-79.3	-60	0	0	0	114	K560 Q561	K560-H563 PolarHBondContact O-N 3.48Å; Q561-H563 VanDerWaalsContact C-N 3.25Å; Q561-H563 PolarHBondContact O-N 3.29Å
564	H	38.8	Very low	50.1	Low	186 Å²	186	122.8 Å²	122.8	86%	0.861	59%	0.586	S	S	*	*			trans	55.2	155.7	158.5	-90.1	-70.8	0	0	0	120.9
565	H	31.1	Very low	48.7	Very low	169 Å²	169	129.7 Å²	129.7	78%	0.782	62%	0.623	S	S	*	*			trans	-60.2	162.4	-177.2	-77.7	-73.3	0	0	0	115.8
566	N	29.9	Very low	47.9	Very low	147 Å²	147	131.2 Å²	131.2	79%	0.786	64%	0.636	S	S	*	*			trans	72.5	105.7	172.2	-57.3	-22.4	0	0	0	114.2
567	N	33.7	Very low	48	Very low	153 Å²	153	136 Å²	136	82%	0.818	66%	0.662	S	S	*	*				-156.5	173	72.1	-123.4	-46.9	0	0	0	115.5	N569	N567-N569 PolarHBondContact O-N 2.97Å; N567-N569 VanDerWaalsContact O-N 3.15Å
568	N	31.5	Very low	48.7	Very low	150 Å²	150	134 Å²	134	80%	0.802	65%	0.653	S	S	*	*			trans	-66.6	108.2	178.3	-72.5	-56.1	0	0	0	112.4
569	N	34	Very low	49.6	Very low	148 Å²	148	134.6 Å²	134.6	79%	0.791	65%	0.654	S	S	*	*			trans	-149.4	75.8	151.1	-97.4	-32.1	0	0	0	108.5	N567 I571	N567-N569 PolarHBondContact O-N 2.97Å; N567-N569 VanDerWaalsContact O-N 3.15Å; N569-I571 PolarHBondContact O-N 2.94Å; N569-I571 VanDerWaalsContact O-N 3.11Å
570	R	38.3	Very low	50.8	Low	229 Å²	229	131.5 Å²	131.5	86%	0.864	64%	0.639	S	S	*	*			trans	-62	110	156.2	-87	-176.4	170.8	171.8	-2.4	106.1	N572	R570-N572 PolarHBondContact O-N 3.49Å; R570-N572 VanDerWaalsContact O-N 3.15Å
571	I	44.9	Very low	52.3	Low	64 Å²	64	126.1 Å²	126.1	33%	0.328	62%	0.617	S	S	.	*			trans	-60.4	119.4	164.9	-52.8	178.5	0	0	0	105.4	W552 F557 N569 E573	W552-I571 HydrophobicContact CZ3-CG2 4.35Å; F557-I571 HydrophobicContact CZ-CD1 4.34Å; N569-I571 PolarHBondContact O-N 2.94Å; N569-I571 VanDerWaalsContact O-N 3.11Å; I571-E573 HydrophobicContact CB-CG 3.94Å; I571-E573 HydrophobicContact CG2-CG 3.5Å; I571-E573 PolarHBondContact O-N 2.81Å
572	N	41.7	Very low	54.2	Low	143 Å²	143	119.4 Å²	119.4	77%	0.765	59%	0.586	S	S	*	*			trans	-74.3	75.8	173.4	-82.6	-20.4	0	0	0	108	R570 R574	R570-N572 PolarHBondContact O-N 3.49Å; R570-N572 VanDerWaalsContact O-N 3.15Å; N572-R574 PolarHBondContact O-N 3.4Å
573	E	48.3	Very low	56.2	Low	96 Å²	96	113.5 Å²	113.5	45%	0.449	55%	0.554	S	S	.	*			trans	-75.8	55.4	174.2	-59.9	-167.5	163.9	0	0	110.7	I571 S624	I571-E573 HydrophobicContact CB-CG 3.94Å; I571-E573 HydrophobicContact CG2-CG 3.5Å; I571-E573 PolarHBondContact O-N 2.81Å; E573-S624 WeakPolarHBondContact OE2-CB 3.18Å; E573-S624 PolarHBondContact OE2-OG 3.27Å
574	R	46	Very low	58.6	Low	210 Å²	210	105.9 Å²	105.9	79%	0.792	52%	0.519	S	S	*	.			trans	-120.6	135.8	168.7	-65.2	-176.2	178.4	-175.5	-2.9	106.7	N572	N572-R574 PolarHBondContact O-N 3.4Å
575	D	53	Low	61	Low	155 Å²	155	99.6 Å²	99.6	83%	0.829	49%	0.492	S	S	*	.			trans	67.9	48	175.1	-41.1	-24	0	0	0	114.4
576	C	65.7	Low	63.9	Low	51 Å²	51	91.6 Å²	91.6	35%	0.345	46%	0.455	S	S	.	.			trans	-96.3	86	158.8	-172.7	0	0	0	0	109.4	W578 E621	C576-W578 VanDerWaalsContact O-CD1 3.31Å; C576-E621 VanDerWaalsContact SG-CD 3.6Å
577	D	79	Confident	66.6	Low	141 Å²	141	86.8 Å²	86.8	75%	0.754	43%	0.427	S	S	*	.	P	Polyproline II helix	trans	-65.8	132.5	179.4	-72.7	-29.8	0	0	0	111.9	K617	D577-K617 PolarHBondContact O-NZ 2.94Å
578	W	86.2	Confident	69.1	Low	36 Å²	36	80.4 Å²	80.4	14%	0.136	39%	0.394	C	S	.	.	P	Polyproline II helix	trans	-101.4	121.9	173.5	-76.9	65.9	0	0	0	110.5	C576 E582 I583 Y586 I614 K617 V622 Y625	C576-W578 VanDerWaalsContact O-CD1 3.31Å; W578-E582 WeakPolarHBondContact CA-OE2 3.48Å; W578-E582 HydrophobicContact CE3-CB 3.74Å; W578-E582 HydrophobicContact CZ3-CB 4.23Å; W578-I583 HydrophobicContact CB-CD1 3.91Å; W578-I583 HydrophobicContact CB-CG1 3.7Å; W578-I583 HydrophobicContact CE3-CG1 4.39Å; W578-Y586 HydrophobicContact CH2-CD2 4.28Å; W578-Y586 HydrophobicContact CZ3-CD2 4.39Å; W578-Y586 HydrophobicContact CZ3-CG 4.42Å; W578-I614 HydrophobicContact CH2-CD1 4.22Å; W578-I614 HydrophobicContact CZ3-CD1 4.22Å; W578-K617 HydrophobicContact CD2-CD 4.35Å; W578-K617 HydrophobicContact CD2-CG 4.43Å; W578-K617 HydrophobicContact CE3-CG 4.39Å; W578-K617 HydrophobicContact CH2-CB 4.26Å; W578-K617 HydrophobicContact CH2-CG 3.79Å; W578-K617 HydrophobicContact CZ2-CB 4.29Å; W578-K617 HydrophobicContact CZ2-CD 4.07Å; W578-K617 HydrophobicContact CZ2-CG 3.8Å; W578-K617 HydrophobicContact CZ3-CG 4.08Å; W578-V622 HydrophobicContact CH2-CG2 4.32Å; W578-Y625 HydrophobicContact CB-CE2 4.32Å; W578-Y625 AromaticContact CD1-CD2 3.69Å; W578-Y625 HydrophobicContact CD2-CD1 4.43Å; W578-Y625 AromaticContact CD2-CD2 3.67Å; W578-Y625 HydrophobicContact CD2-CD2 3.67Å; W578-Y625 AromaticContact CD2-CE2 3.92Å; W578-Y625 HydrophobicContact CD2-CE2 3.92Å; W578-Y625 AromaticContact CD2-CG 3.95Å; W578-Y625 HydrophobicContact CD2-CG 3.95Å; W578-Y625 AromaticContact CE2-CD2 3.54Å; W578-Y625 AromaticContact CE2-CG 3.51Å; W578-Y625 HydrophobicContact CE3-CD1 4.41Å; W578-Y625 HydrophobicContact CE3-CD2 4.34Å; W578-Y625 HydrophobicContact CE3-CE1 4.43Å; W578-Y625 HydrophobicContact CE3-CE2 4.35Å; W578-Y625 HydrophobicContact CE3-CG 4.37Å; W578-Y625 AromaticContact CG-CD2 3.79Å; W578-Y625 HydrophobicContact CG-CD2 3.79Å; W578-Y625 AromaticContact CG-CE2 3.9Å; W578-Y625 HydrophobicContact CG-CE2 3.9Å; W578-Y625 HydrophobicContact CH2-CD1 4.02Å; W578-Y625 HydrophobicContact CH2-CG 4.05Å; W578-Y625 HydrophobicContact CZ2-CD1 4.05Å; W578-Y625 HydrophobicContact CZ2-CD2 4.12Å; W578-Y625 AromaticContact CZ2-CG 3.58Å; W578-Y625 HydrophobicContact CZ2-CG 3.58Å; W578-Y625 HydrophobicContact CZ3-CD1 4.22Å; W578-Y625 HydrophobicContact CZ3-CE1 4.45Å; W578-Y625 HydrophobicContact CZ3-CG 4.43Å; W578-Y625 AromaticContact NE1-CD2 3.55Å; W578-Y625 AromaticContact NE1-CG 3.86Å
579	N	86.3	Confident	71.8	Confident	57 Å²	57	74.3 Å²	74.3	31%	0.305	36%	0.361	S	S	.	.	P	Polyproline II helix	trans	-65.7	140.2	173.3	170.8	-9.3	0	0	0	109.7	V581 E582 I583	N579-V581 PolarHBondContact O-N 3.4Å; N579-V581 PolarHBondContact OD1-N 3.06Å; N579-E582 HydrophobicContact CB-CG 3.98Å; N579-E582 WeakPolarHBondContact CB-OE2 3.27Å; N579-E582 PolarHBondContact N-OE2 3.31Å; N579-E582 WeakPolarHBondContact O-CA 3.15Å; N579-E582 WeakPolarHBondContact O-CB 3.21Å; N579-E582 PolarHBondContact O-N 3.36Å; N579-I583 PolarHBondContact O-N 2.97Å
580	P	85.7	Confident	74.2	Confident	21 Å²	21	67.3 Å²	67.3	14%	0.136	32%	0.324	C	S	.	.	H	α-helix	trans	-40.5	-38	169	-34.7	37.3	0	0	0	115.6	V484 V488 I495 S584	V484-P580 HydrophobicContact CG1-CB 3.88Å; V488-P580 HydrophobicContact CG2-CB 4.4Å; I495-P580 HydrophobicContact CG1-CB 4.16Å; I495-P580 HydrophobicContact CG1-CG 4.27Å; I495-P580 HydrophobicContact CG2-CB 4.11Å; I495-P580 WeakPolarHBondContact CG2-O 3.31Å; P580-S584 WeakPolarHBondContact O-CB 3.42Å; P580-S584 PolarHBondContact O-N 3.32Å; P580-S584 PolarHBondContact O-OG 3.19Å
581	V	89.3	Confident	76.1	Confident	24 Å²	24	57.9 Å²	57.9	15%	0.145	29%	0.292	C	S	.	.	H	α-helix	trans	-63.2	-48.1	174.4	177.4	0	0	0	0	112	L478 P481 V484 N579 I583 S584 L585	L478-V581 HydrophobicContact CB-CG1 4.48Å; L478-V581 VanDerWaalsContact O-CG1 3.26Å; L478-V581 WeakPolarHBondContact O-CG1 3.41Å; P481-V581 HydrophobicContact CB-CG2 4.11Å; V484-V581 HydrophobicContact CB-CG2 3.99Å; V484-V581 HydrophobicContact CG1-CG2 4.18Å; V484-V581 HydrophobicContact CG2-CG2 3.94Å; N579-V581 PolarHBondContact O-N 3.4Å; N579-V581 PolarHBondContact OD1-N 3.06Å; V581-I583 VanDerWaalsContact C-N 3.3Å; V581-I583 PolarHBondContact O-N 3.47Å; V581-S584 PolarHBondContact O-N 2.9Å; V581-L585 VanDerWaalsContact O-CB 3.31Å; V581-L585 WeakPolarHBondContact O-CB 3.24Å; V581-L585 PolarHBondContact O-N 2.94Å
582	E	90.2	Very high	77.7	Confident	23 Å²	23	57.7 Å²	57.7	11%	0.107	29%	0.291	C	S	.	.	H	α-helix	trans	-64.4	-36.9	179.9	-59.4	172.2	135.1	0	0	111.3	W578 N579 Y586 T616 K617	W578-E582 WeakPolarHBondContact CA-OE2 3.48Å; W578-E582 HydrophobicContact CE3-CB 3.74Å; W578-E582 HydrophobicContact CZ3-CB 4.23Å; N579-E582 HydrophobicContact CB-CG 3.98Å; N579-E582 WeakPolarHBondContact CB-OE2 3.27Å; N579-E582 PolarHBondContact N-OE2 3.31Å; N579-E582 WeakPolarHBondContact O-CA 3.15Å; N579-E582 WeakPolarHBondContact O-CB 3.21Å; N579-E582 PolarHBondContact O-N 3.36Å; E582-Y586 WeakPolarHBondContact O-CB 3.46Å; E582-Y586 PolarHBondContact O-N 3.1Å; E582-T616 WeakPolarHBondContact OE1-CB 3.4Å; E582-T616 PolarHBondContact OE1-OG1 3.49Å; E582-K617 VanDerWaalsContact OE1-CE 3.3Å; E582-K617 WeakPolarHBondContact OE1-CE 3.38Å; E582-K617 IonicContact OE1-NZ 3.5Å; E582-K617 WeakPolarHBondContact OE2-CE 3.36Å; E582-K617 IonicContact OE2-NZ 3.66Å; E582-K617 PolarHBondContact OE2-NZ 2.93Å
583	I	88.4	Confident	79.5	Confident	20 Å²	20	54.4 Å²	54.4	10%	0.103	27%	0.268	C	S	.	.	H	α-helix	trans	-65.7	-48.8	175.3	-64.4	172.1	0	0	0	110.4	I495 W578 N579 V581 L585 Y586 Q587 Y625	I495-I583 HydrophobicContact CD1-CD1 3.86Å; I495-I583 HydrophobicContact CG2-CB 3.97Å; I495-I583 HydrophobicContact CG2-CG2 3.71Å; W578-I583 HydrophobicContact CB-CD1 3.91Å; W578-I583 HydrophobicContact CB-CG1 3.7Å; W578-I583 HydrophobicContact CE3-CG1 4.39Å; N579-I583 PolarHBondContact O-N 2.97Å; V581-I583 VanDerWaalsContact C-N 3.3Å; V581-I583 PolarHBondContact O-N 3.47Å; I583-L585 VanDerWaalsContact C-N 3.34Å; I583-L585 PolarHBondContact O-N 3.02Å; I583-Y586 PolarHBondContact O-N 3.15Å; I583-Q587 WeakPolarHBondContact O-CG 3.34Å; I583-Q587 PolarHBondContact O-N 2.76Å; I583-Y625 HydrophobicContact CG1-CE2 4.49Å; I583-Y625 WeakPolarHBondContact CG2-OH 3.5Å
584	S	88.1	Confident	81.1	Confident	0 Å²	0	50 Å²	50	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-59.7	-46.1	177.8	-52.3	0	0	0	0	110.7	P496 P580 V581 Q587 V588	P496-S584 PolarHBondContact O-OG 3.23Å; P580-S584 WeakPolarHBondContact O-CB 3.42Å; P580-S584 PolarHBondContact O-N 3.32Å; P580-S584 PolarHBondContact O-OG 3.19Å; V581-S584 PolarHBondContact O-N 2.9Å; S584-Q587 PolarHBondContact O-N 3.47Å; S584-V588 WeakPolarHBondContact O-CG2 3.41Å; S584-V588 PolarHBondContact O-N 3.26Å
585	L	90.8	Very high	82.4	Confident	55 Å²	55	40 Å²	40	29%	0.288	21%	0.21	S	C	.	.	H	α-helix	trans	-62.9	-42.1	176.8	-176.6	60.7	0	0	0	112	V581 I583 Q587 V588 L589 I614	V581-L585 VanDerWaalsContact O-CB 3.31Å; V581-L585 WeakPolarHBondContact O-CB 3.24Å; V581-L585 PolarHBondContact O-N 2.94Å; I583-L585 VanDerWaalsContact C-N 3.34Å; I583-L585 PolarHBondContact O-N 3.02Å; L585-Q587 PolarHBondContact O-N 2.89Å; L585-V588 PolarHBondContact O-N 3.03Å; L585-V588 VanDerWaalsContact O-N 3.16Å; L585-L589 HydrophobicContact CD1-CD1 3.86Å; L585-L589 HydrophobicContact CD1-CG 3.97Å; L585-L589 HydrophobicContact CD2-CD1 4.47Å; L585-L589 HydrophobicContact CG-CD1 3.83Å; L585-L589 HydrophobicContact CG-CG 4.29Å; L585-L589 WeakPolarHBondContact O-CG 3.35Å; L585-L589 PolarHBondContact O-N 3.3Å; L585-I614 HydrophobicContact CD2-CB 4.49Å; L585-I614 HydrophobicContact CD2-CG1 4.18Å; L585-I614 HydrophobicContact CG-CG1 4.4Å
586	Y	90.2	Very high	83.2	Confident	1 Å²	1	34.1 Å²	34.1	0%	0.004	18%	0.176	C	C	.	.	H	α-helix	trans	-60.5	-42.9	173.7	177.8	-87.9	0	0	0	111.8	W578 E582 I583 V588 L589 A590 I594 L610 I614 Y625 A626 Q629 L634	W578-Y586 HydrophobicContact CH2-CD2 4.28Å; W578-Y586 HydrophobicContact CZ3-CD2 4.39Å; W578-Y586 HydrophobicContact CZ3-CG 4.42Å; E582-Y586 WeakPolarHBondContact O-CB 3.46Å; E582-Y586 PolarHBondContact O-N 3.1Å; I583-Y586 PolarHBondContact O-N 3.15Å; Y586-V588 VanDerWaalsContact C-N 3.26Å; Y586-V588 PolarHBondContact O-N 3.31Å; Y586-L589 PolarHBondContact O-N 2.92Å; Y586-A590 HydrophobicContact CD1-CB 4.15Å; Y586-A590 HydrophobicContact CD2-CB 4.43Å; Y586-A590 HydrophobicContact CE1-CB 3.8Å; Y586-A590 HydrophobicContact CE2-CB 4.09Å; Y586-A590 HydrophobicContact CG-CB 4.45Å; Y586-A590 WeakPolarHBondContact O-CB 3.47Å; Y586-A590 PolarHBondContact O-N 2.89Å; Y586-I594 HydrophobicContact CE2-CD1 4.46Å; Y586-L610 HydrophobicContact CD2-CD1 4.45Å; Y586-L610 HydrophobicContact CE2-CD1 4.07Å; Y586-I614 HydrophobicContact CD2-CD1 4.27Å; Y586-Y625 HydrophobicContact CD1-CD1 4.04Å; Y586-Y625 AromaticContact CD1-CE1 3.57Å; Y586-Y625 HydrophobicContact CD1-CE1 3.57Å; Y586-Y625 HydrophobicContact CD2-CD1 4.21Å; Y586-Y625 HydrophobicContact CD2-CE1 4.46Å; Y586-Y625 HydrophobicContact CE1-CD1 4.01Å; Y586-Y625 AromaticContact CE1-CE1 3.82Å; Y586-Y625 HydrophobicContact CE1-CE1 3.82Å; Y586-Y625 HydrophobicContact CE2-CD1 4.2Å; Y586-Y625 HydrophobicContact CG-CD1 4.14Å; Y586-Y625 AromaticContact CG-CE1 3.92Å; Y586-Y625 HydrophobicContact CG-CE1 3.92Å; Y586-A626 WeakPolarHBondContact OH-CA 3.49Å; Y586-A626 VanDerWaalsContact OH-CB 3.28Å; Y586-A626 WeakPolarHBondContact OH-CB 3.33Å; Y586-Q629 HydrophobicContact CE1-CG 4.49Å; Y586-L634 HydrophobicContact CE1-CD1 3.91Å
587	Q	87.1	Confident	83.4	Confident	45 Å²	45	36 Å²	36	21%	0.21	20%	0.204	C	C	.	.	H	α-helix	trans	-64.3	-29.7	175.4	-66.1	-178.1	28	0	0	113.1	R498 I583 S584 L585 P591 L634	R498-Q587 HydrophobicContact CB-CB 4.18Å; R498-Q587 PolarHBondContact NH1-O 2.89Å; I583-Q587 WeakPolarHBondContact O-CG 3.34Å; I583-Q587 PolarHBondContact O-N 2.76Å; S584-Q587 PolarHBondContact O-N 3.47Å; L585-Q587 PolarHBondContact O-N 2.89Å; Q587-P591 WeakPolarHBondContact O-CD 3.31Å; Q587-L634 HydrophobicContact CB-CD2 4.43Å; Q587-L634 HydrophobicContact CG-CD2 4.09Å
588	V	87.1	Confident	82.9	Confident	20 Å²	20	35.2 Å²	35.2	12%	0.121	19%	0.192	C	C	.	.	H	α-helix	trans	-74.4	-42	173.6	170.3	0	0	0	0	111.8	R498 A501 L502 S584 L585 Y586	R498-V588 VanDerWaalsContact NH1-C 3.34Å; R498-V588 PolarHBondContact NH1-O 3.09Å; A501-V588 HydrophobicContact CB-CG2 4.06Å; L502-V588 HydrophobicContact CD1-CG1 4.38Å; L502-V588 HydrophobicContact CD1-CG2 4.46Å; L502-V588 HydrophobicContact CD2-CG1 4.06Å; L502-V588 HydrophobicContact CD2-CG2 4.39Å; L502-V588 HydrophobicContact CG-CG1 4.45Å; L502-V588 HydrophobicContact CG-CG2 4.15Å; S584-V588 WeakPolarHBondContact O-CG2 3.41Å; S584-V588 PolarHBondContact O-N 3.26Å; L585-V588 PolarHBondContact O-N 3.03Å; L585-V588 VanDerWaalsContact O-N 3.16Å; Y586-V588 VanDerWaalsContact C-N 3.26Å; Y586-V588 PolarHBondContact O-N 3.31Å
589	L	87.9	Confident	82.1	Confident	22 Å²	22	38.9 Å²	38.9	12%	0.115	22%	0.222	C	C	.	.	H	α-helix	trans	-85.9	-40.8	-174.7	-62.5	177.1	0	0	0	114	L585 Y586 M592 Y593 L610 L613 I614	L585-L589 HydrophobicContact CD1-CD1 3.86Å; L585-L589 HydrophobicContact CD1-CG 3.97Å; L585-L589 HydrophobicContact CD2-CD1 4.47Å; L585-L589 HydrophobicContact CG-CD1 3.83Å; L585-L589 HydrophobicContact CG-CG 4.29Å; L585-L589 WeakPolarHBondContact O-CG 3.35Å; L585-L589 PolarHBondContact O-N 3.3Å; Y586-L589 PolarHBondContact O-N 2.92Å; L589-M592 WeakPolarHBondContact O-CB 3.38Å; L589-M592 PolarHBondContact O-N 3.4Å; L589-Y593 HydrophobicContact CB-CD2 4.27Å; L589-Y593 HydrophobicContact CD2-CE2 4.04Å; L589-Y593 WeakPolarHBondContact O-CD2 3.46Å; L589-Y593 PolarHBondContact O-N 3.24Å; L589-L610 HydrophobicContact CB-CD2 3.5Å; L589-L610 VanDerWaalsContact CB-CD2 3.5Å; L589-L610 HydrophobicContact CD1-CD2 4.27Å; L589-L613 HydrophobicContact CD1-CB 3.73Å; L589-L613 HydrophobicContact CD1-CD1 4.4Å; L589-L613 HydrophobicContact CD2-CD1 4.42Å; L589-I614 HydrophobicContact CD1-CG1 4.09Å
590	A	84.1	Confident	81.5	Confident	0 Å²	0	37.2 Å²	37.2	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-54.6	-44.1	-170	0	0	0	0	0	114.3	Y586 M592 Y593 I594	Y586-A590 HydrophobicContact CD1-CB 4.15Å; Y586-A590 HydrophobicContact CD2-CB 4.43Å; Y586-A590 HydrophobicContact CE1-CB 3.8Å; Y586-A590 HydrophobicContact CE2-CB 4.09Å; Y586-A590 HydrophobicContact CG-CB 4.45Å; Y586-A590 WeakPolarHBondContact O-CB 3.47Å; Y586-A590 PolarHBondContact O-N 2.89Å; A590-M592 PolarHBondContact O-N 3.38Å; A590-Y593 PolarHBondContact O-N 2.92Å; A590-I594 HydrophobicContact CB-CD1 3.7Å; A590-I594 HydrophobicContact CB-CG1 4.28Å; A590-I594 WeakPolarHBondContact O-CB 3.47Å; A590-I594 WeakPolarHBondContact O-CG1 3.48Å; A590-I594 PolarHBondContact O-N 3.18Å
591	P	78.7	Confident	81	Confident	32 Å²	32	38.3 Å²	38.3	21%	0.208	22%	0.217	C	C	.	.	H	α-helix	trans	-69.5	-9	177.2	-21.2	36	0	0	0	115.2	Q587 L634	Q587-P591 WeakPolarHBondContact O-CD 3.31Å; P591-L634 HydrophobicContact CG-CB 4.43Å; P591-L634 VanDerWaalsContact CG-O 3.29Å; P591-L634 WeakPolarHBondContact CG-O 3.28Å
592	M	77.3	Confident	80.4	Confident	59 Å²	59	43.3 Å²	43.3	29%	0.291	24%	0.239	S	C	.	.	H	α-helix	trans	-95.6	-30.7	176.3	-53.8	-169.4	-168.6	0	0	112.9	L589 A590	L589-M592 WeakPolarHBondContact O-CB 3.38Å; L589-M592 PolarHBondContact O-N 3.4Å; A590-M592 PolarHBondContact O-N 3.38Å
593	Y	80.3	Confident	79.7	Confident	75 Å²	75	46.8 Å²	46.8	29%	0.294	26%	0.258	S	S	.	.	H	α-helix	trans	-114.3	-22.6	-169.6	-67.8	-76.8	0	0	0	115	L589 A590 P595 W606 T609 L610 L613	L589-Y593 HydrophobicContact CB-CD2 4.27Å; L589-Y593 HydrophobicContact CD2-CE2 4.04Å; L589-Y593 WeakPolarHBondContact O-CD2 3.46Å; L589-Y593 PolarHBondContact O-N 3.24Å; A590-Y593 PolarHBondContact O-N 2.92Å; Y593-P595 WeakPolarHBondContact O-CD 3.49Å; Y593-W606 WeakPolarHBondContact O-CB 3.33Å; Y593-T609 HydrophobicContact CD1-CG2 3.6Å; Y593-T609 HydrophobicContact CE1-CG2 3.87Å; Y593-T609 HydrophobicContact CG-CG2 4.18Å; Y593-L610 HydrophobicContact CD2-CD2 4.06Å; Y593-L610 HydrophobicContact CG-CD2 4.35Å; Y593-L613 HydrophobicContact CD2-CD1 3.95Å; Y593-L613 HydrophobicContact CE1-CD1 4.12Å; Y593-L613 HydrophobicContact CE2-CD1 3.49Å; Y593-L613 VanDerWaalsContact CE2-CD1 3.49Å; Y593-L613 HydrophobicContact CG-CD1 4.46Å
594	I	81	Confident	79.4	Confident	2 Å²	2	48.1 Å²	48.1	1%	0.01	26%	0.262	C	S	.	.			trans	-89.1	116.6	-178	-53.4	-176.7	0	0	0	109.9	F536 Y586 A590 Y596 Y601 W606 L610	F536-I594 WeakPolarHBondContact CZ-O 3.44Å; Y586-I594 HydrophobicContact CE2-CD1 4.46Å; A590-I594 HydrophobicContact CB-CD1 3.7Å; A590-I594 HydrophobicContact CB-CG1 4.28Å; A590-I594 WeakPolarHBondContact O-CB 3.47Å; A590-I594 WeakPolarHBondContact O-CG1 3.48Å; A590-I594 PolarHBondContact O-N 3.18Å; I594-Y596 HydrophobicContact CB-CD2 3.91Å; I594-Y596 HydrophobicContact CB-CE2 3.5Å; I594-Y596 HydrophobicContact CD1-CE2 4.27Å; I594-Y596 WeakPolarHBondContact CD1-OH 3.41Å; I594-Y596 HydrophobicContact CG1-CE2 4.41Å; I594-Y596 HydrophobicContact CG2-CD1 3.96Å; I594-Y596 HydrophobicContact CG2-CD2 3.77Å; I594-Y596 HydrophobicContact CG2-CE1 3.67Å; I594-Y596 HydrophobicContact CG2-CE2 3.53Å; I594-Y596 HydrophobicContact CG2-CG 4.02Å; I594-Y596 VanDerWaalsContact CG2-CZ 3.48Å; I594-Y596 VanDerWaalsContact O-CD2 3.31Å; I594-Y596 WeakPolarHBondContact O-CD2 3.45Å; I594-Y596 PolarHBondContact O-N 3.37Å; I594-Y601 HydrophobicContact CG2-CD2 3.87Å; I594-Y601 HydrophobicContact CG2-CE2 3.54Å; I594-W606 HydrophobicContact CB-CD2 4.44Å; I594-W606 HydrophobicContact CB-CE3 4.38Å; I594-W606 HydrophobicContact CD1-CE3 3.72Å; I594-W606 HydrophobicContact CD1-CH2 4.43Å; I594-W606 HydrophobicContact CD1-CZ3 3.64Å; I594-W606 HydrophobicContact CG1-CD2 4.07Å; I594-W606 HydrophobicContact CG1-CE3 3.56Å; I594-W606 HydrophobicContact CG1-CZ3 4.04Å; I594-W606 HydrophobicContact CG2-CD2 3.97Å; I594-W606 HydrophobicContact CG2-CE3 4.14Å; I594-W606 HydrophobicContact CG2-CG 4.38Å; I594-W606 HydrophobicContact CG2-CZ2 4.41Å; I594-W606 HydrophobicContact CG2-CZ3 4.42Å; I594-L610 HydrophobicContact CD1-CD1 3.7Å; I594-L610 HydrophobicContact CG1-CD1 3.7Å
595	P	73.6	Confident	79.1	Confident	1 Å²	1	48.8 Å²	48.8	1%	0.006	27%	0.265	C	S	.	.			trans	-84.6	60.3	-173.2	37.1	-37.9	0	0	0	111.5	F536 T540 Y593 G597 Y598 S600	F536-P595 HydrophobicContact CD1-CB 3.69Å; F536-P595 HydrophobicContact CE1-CB 3.58Å; F536-P595 HydrophobicContact CZ-CB 4.33Å; T540-P595 HydrophobicContact CG2-CB 4.18Å; T540-P595 HydrophobicContact CG2-CG 4.24Å; Y593-P595 WeakPolarHBondContact O-CD 3.49Å; P595-G597 PolarHBondContact O-N 2.74Å; P595-Y598 HydrophobicContact CB-CD2 4.21Å; P595-Y598 PolarHBondContact O-N 3Å; P595-Y598 VanDerWaalsContact O-N 3.09Å; P595-S600 WeakPolarHBondContact CB-OG 3.28Å
596	Y	70.6	Confident	78.8	Confident	32 Å²	32	46.4 Å²	46.4	13%	0.125	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.6	131	179.6	-63.3	-78	0	0	0	111.9	I594 Y598 Y601 H631 L635	I594-Y596 HydrophobicContact CB-CD2 3.91Å; I594-Y596 HydrophobicContact CB-CE2 3.5Å; I594-Y596 HydrophobicContact CD1-CE2 4.27Å; I594-Y596 WeakPolarHBondContact CD1-OH 3.41Å; I594-Y596 HydrophobicContact CG1-CE2 4.41Å; I594-Y596 HydrophobicContact CG2-CD1 3.96Å; I594-Y596 HydrophobicContact CG2-CD2 3.77Å; I594-Y596 HydrophobicContact CG2-CE1 3.67Å; I594-Y596 HydrophobicContact CG2-CE2 3.53Å; I594-Y596 HydrophobicContact CG2-CG 4.02Å; I594-Y596 VanDerWaalsContact CG2-CZ 3.48Å; I594-Y596 VanDerWaalsContact O-CD2 3.31Å; I594-Y596 WeakPolarHBondContact O-CD2 3.45Å; I594-Y596 PolarHBondContact O-N 3.37Å; Y596-Y598 VanDerWaalsContact C-N 3.27Å; Y596-Y598 WeakPolarHBondContact O-CD2 3.36Å; Y596-Y598 PolarHBondContact O-N 3.3Å; Y596-Y601 HydrophobicContact CD1-CD2 4.41Å; Y596-Y601 AromaticContact CD1-CE2 3.89Å; Y596-Y601 HydrophobicContact CD1-CE2 3.89Å; Y596-Y601 HydrophobicContact CE1-CE2 4.03Å; Y596-H631 HydrophobicContact CD1-CB 4.47Å; Y596-H631 HydrophobicContact CE1-CB 3.88Å; Y596-H631 AromaticContact CE1-CD2 3.58Å; Y596-H631 AromaticContact CE1-CE1 3.7Å; Y596-H631 AromaticContact CE1-CG 3.43Å; Y596-H631 VanDerWaalsContact CE1-CG 3.43Å; Y596-H631 AromaticContact CE1-ND1 3.52Å; Y596-H631 AromaticContact CE1-NE2 3.73Å; Y596-H631 AromaticContact CZ-CE1 3.99Å; Y596-H631 AromaticContact CZ-CG 3.87Å; Y596-H631 AromaticContact CZ-ND1 3.6Å; Y596-H631 PolarHBondContact OH-CE1 3.4Å; Y596-H631 PolarHBondContact OH-ND1 3.04Å; Y596-L635 HydrophobicContact CD1-CD1 4.38Å; Y596-L635 HydrophobicContact CD2-CD1 4.02Å; Y596-L635 HydrophobicContact CD2-CD2 3.65Å; Y596-L635 HydrophobicContact CD2-CG 4.05Å; Y596-L635 HydrophobicContact CE2-CD2 4.27Å; Y596-L635 HydrophobicContact CE2-CG 4.4Å; Y596-L635 HydrophobicContact CG-CD1 3.85Å; Y596-L635 HydrophobicContact CG-CD2 4.22Å; Y596-L635 HydrophobicContact CG-CG 4.4Å
597	G	68.8	Low	78.6	Confident	90 Å²	90	46.3 Å²	46.3	93%	0.928	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.4	-3.3	-179.1	0	0	0	0	0	115.5	P595	P595-G597 PolarHBondContact O-N 2.74Å
598	Y	70.2	Confident	78.6	Confident	125 Å²	125	44.8 Å²	44.8	49%	0.49	25%	0.246	S	C	.	.	S	Bend	trans	-100.5	150.9	172.8	-61.9	-87.9	0	0	0	111.3	F536 P595 Y596 S600 Y601	F536-Y598 HydrophobicContact CB-CD2 4.48Å; F536-Y598 HydrophobicContact CB-CE2 4.02Å; F536-Y598 HydrophobicContact CD2-CE2 4.04Å; F536-Y598 HydrophobicContact CG-CD2 4.45Å; F536-Y598 HydrophobicContact CG-CE2 4.11Å; P595-Y598 HydrophobicContact CB-CD2 4.21Å; P595-Y598 PolarHBondContact O-N 3Å; P595-Y598 VanDerWaalsContact O-N 3.09Å; Y596-Y598 VanDerWaalsContact C-N 3.27Å; Y596-Y598 WeakPolarHBondContact O-CD2 3.36Å; Y596-Y598 PolarHBondContact O-N 3.3Å; Y598-S600 PolarHBondContact O-N 3.4Å; Y598-S600 VanDerWaalsContact O-N 3.15Å; Y598-Y601 VanDerWaalsContact O-CB 3.27Å; Y598-Y601 WeakPolarHBondContact O-CB 3.42Å; Y598-Y601 PolarHBondContact O-N 3.31Å
599	S	69.3	Low	78.5	Confident	112 Å²	112	45.7 Å²	45.7	78%	0.783	25%	0.252	S	S	*	.	G	3₁₀ helix	trans	-59.3	-25.4	177.1	50.3	0	0	0	0	113.7	Y601	S599-Y601 PolarHBondContact O-N 3.27Å
600	S	72.8	Confident	78.5	Confident	23 Å²	23	44.7 Å²	44.7	16%	0.161	25%	0.246	C	C	.	.	G	3₁₀ helix	trans	-66.9	-11.5	175.4	53.2	0	0	0	0	114.4	P595 Y598 H602 L603	P595-S600 WeakPolarHBondContact CB-OG 3.28Å; Y598-S600 PolarHBondContact O-N 3.4Å; Y598-S600 VanDerWaalsContact O-N 3.15Å; S600-H602 VanDerWaalsContact C-N 3.29Å; S600-H602 PolarHBondContact O-N 2.89Å; S600-L603 WeakPolarHBondContact O-CB 3.41Å; S600-L603 PolarHBondContact O-N 2.83Å
601	Y	75.7	Confident	78.7	Confident	43 Å²	43	45.3 Å²	45.3	17%	0.169	25%	0.251	C	S	.	.	G	3₁₀ helix	trans	-56.9	-41.7	174.8	-174.8	-94.7	0	0	0	112.4	I594 Y596 Y598 S599 L603 Y604 W606	I594-Y601 HydrophobicContact CG2-CD2 3.87Å; I594-Y601 HydrophobicContact CG2-CE2 3.54Å; Y596-Y601 HydrophobicContact CD1-CD2 4.41Å; Y596-Y601 AromaticContact CD1-CE2 3.89Å; Y596-Y601 HydrophobicContact CD1-CE2 3.89Å; Y596-Y601 HydrophobicContact CE1-CE2 4.03Å; Y598-Y601 VanDerWaalsContact O-CB 3.27Å; Y598-Y601 WeakPolarHBondContact O-CB 3.42Å; Y598-Y601 PolarHBondContact O-N 3.31Å; S599-Y601 PolarHBondContact O-N 3.27Å; Y601-L603 PolarHBondContact O-N 3.46Å; Y601-Y604 PolarHBondContact O-N 3.25Å; Y601-W606 HydrophobicContact CD2-CZ2 4.35Å; Y601-W606 AromaticContact CD2-NE1 3.91Å; Y601-W606 HydrophobicContact CE1-CZ2 4.39Å; Y601-W606 AromaticContact CE2-CE2 3.99Å; Y601-W606 HydrophobicContact CE2-CH2 4.46Å; Y601-W606 AromaticContact CE2-CZ2 3.7Å; Y601-W606 HydrophobicContact CE2-CZ2 3.7Å; Y601-W606 AromaticContact CZ-CZ2 3.71Å; Y601-W606 PolarHBondContact O-NE1 2.87Å
602	H	75.7	Confident	79.1	Confident	129 Å²	129	49.2 Å²	49.2	60%	0.597	27%	0.27	S	S	*	.	G	3₁₀ helix	trans	-75.8	-2	-178.4	-57.6	-71.9	0	0	0	114.3	S600 Y604	S600-H602 VanDerWaalsContact C-N 3.29Å; S600-H602 PolarHBondContact O-N 2.89Å; H602-Y604 VanDerWaalsContact C-N 3.34Å; H602-Y604 WeakPolarHBondContact O-CD2 3.14Å; H602-Y604 WeakPolarHBondContact O-CE2 3.36Å
603	L	77.1	Confident	79.7	Confident	97 Å²	97	50.3 Å²	50.3	51%	0.508	28%	0.276	S	S	.	.	G	3₁₀ helix	trans	-83	-13.1	173.9	-58.1	176.6	0	0	0	112.5	R555 S600 Y601 N605	R555-L603 WeakPolarHBondContact CG-O 3.47Å; S600-L603 WeakPolarHBondContact O-CB 3.41Å; S600-L603 PolarHBondContact O-N 2.83Å; Y601-L603 PolarHBondContact O-N 3.46Å; L603-N605 PolarHBondContact O-N 3.13Å
604	Y	81.9	Confident	80.2	Confident	48 Å²	48	47.5 Å²	47.5	19%	0.188	27%	0.266	C	S	.	.			trans	52.9	11.7	-179.6	-55.7	-79.6	0	0	0	116.2	V554 T558 Y601 H602 W606 C607 L623	V554-Y604 HydrophobicContact CB-CG 4.48Å; V554-Y604 HydrophobicContact CG1-CD1 3.78Å; V554-Y604 HydrophobicContact CG1-CD2 3.9Å; V554-Y604 HydrophobicContact CG1-CE1 4.31Å; V554-Y604 HydrophobicContact CG1-CE2 4.43Å; V554-Y604 HydrophobicContact CG1-CG 3.53Å; T558-Y604 HydrophobicContact CG2-CD2 3.88Å; T558-Y604 HydrophobicContact CG2-CE2 3.65Å; Y601-Y604 PolarHBondContact O-N 3.25Å; H602-Y604 VanDerWaalsContact C-N 3.34Å; H602-Y604 WeakPolarHBondContact O-CD2 3.14Å; H602-Y604 WeakPolarHBondContact O-CE2 3.36Å; Y604-W606 HydrophobicContact CD1-CZ2 4.21Å; Y604-W606 PolarHBondContact O-N 3.17Å; Y604-C607 VanDerWaalsContact O-CB 3.32Å; Y604-C607 WeakPolarHBondContact O-CB 3.42Å; Y604-C607 PolarHBondContact O-N 2.64Å; Y604-L623 HydrophobicContact CD1-CD1 4.12Å; Y604-L623 HydrophobicContact CD1-CD2 4.35Å; Y604-L623 HydrophobicContact CE1-CD1 3.84Å; Y604-L623 HydrophobicContact CE1-CD2 4.13Å
605	N	81.5	Confident	80.5	Confident	13 Å²	13	50.4 Å²	50.4	7%	0.07	30%	0.297	C	S	.	.	H	α-helix	trans	-53.6	-37	172.5	-77.2	-15.9	0	0	0	111.6	V542 R555 L603 C607 C608 T609	V542-N605 HydrophobicContact CB-CB 4.17Å; V542-N605 HydrophobicContact CG1-CB 4.33Å; V542-N605 PolarHBondContact O-ND2 3.47Å; V542-N605 VanDerWaalsContact O-ND2 3.09Å; R555-N605 WeakPolarHBondContact CD-OD1 3.39Å; R555-N605 PolarHBondContact NE-OD1 2.8Å; L603-N605 PolarHBondContact O-N 3.13Å; N605-C607 VanDerWaalsContact C-N 3.32Å; N605-C607 PolarHBondContact O-N 3.35Å; N605-C608 WeakPolarHBondContact O-CB 3.31Å; N605-C608 PolarHBondContact O-N 2.87Å; N605-C608 VanDerWaalsContact O-N 3.16Å; N605-T609 PolarHBondContact O-N 2.93Å; N605-T609 PolarHBondContact O-OG1 3.48Å
606	W	83.4	Confident	81.2	Confident	5 Å²	5	54.7 Å²	54.7	2%	0.019	32%	0.323	C	S	.	.	H	α-helix	trans	-62.3	-32.8	176.1	61.5	-94.8	0	0	0	113.4	Y593 I594 Y601 Y604 C608 T609 L610 L623 A626	Y593-W606 WeakPolarHBondContact O-CB 3.33Å; I594-W606 HydrophobicContact CB-CD2 4.44Å; I594-W606 HydrophobicContact CB-CE3 4.38Å; I594-W606 HydrophobicContact CD1-CE3 3.72Å; I594-W606 HydrophobicContact CD1-CH2 4.43Å; I594-W606 HydrophobicContact CD1-CZ3 3.64Å; I594-W606 HydrophobicContact CG1-CD2 4.07Å; I594-W606 HydrophobicContact CG1-CE3 3.56Å; I594-W606 HydrophobicContact CG1-CZ3 4.04Å; I594-W606 HydrophobicContact CG2-CD2 3.97Å; I594-W606 HydrophobicContact CG2-CE3 4.14Å; I594-W606 HydrophobicContact CG2-CG 4.38Å; I594-W606 HydrophobicContact CG2-CZ2 4.41Å; I594-W606 HydrophobicContact CG2-CZ3 4.42Å; Y601-W606 HydrophobicContact CD2-CZ2 4.35Å; Y601-W606 AromaticContact CD2-NE1 3.91Å; Y601-W606 HydrophobicContact CE1-CZ2 4.39Å; Y601-W606 AromaticContact CE2-CE2 3.99Å; Y601-W606 HydrophobicContact CE2-CH2 4.46Å; Y601-W606 AromaticContact CE2-CZ2 3.7Å; Y601-W606 HydrophobicContact CE2-CZ2 3.7Å; Y601-W606 AromaticContact CZ-CZ2 3.71Å; Y601-W606 PolarHBondContact O-NE1 2.87Å; Y604-W606 HydrophobicContact CD1-CZ2 4.21Å; Y604-W606 PolarHBondContact O-N 3.17Å; W606-C608 VanDerWaalsContact C-N 3.33Å; W606-T609 PolarHBondContact O-N 2.85Å; W606-L610 HydrophobicContact CE3-CD1 4.16Å; W606-L610 WeakPolarHBondContact O-CB 3.04Å; W606-L610 WeakPolarHBondContact O-CG 3.49Å; W606-L610 PolarHBondContact O-N 3.4Å; W606-L623 HydrophobicContact CH2-CD1 3.95Å; W606-L623 HydrophobicContact CZ2-CD1 4.19Å; W606-A626 HydrophobicContact CH2-CB 3.89Å; W606-A626 HydrophobicContact CZ3-CB 4.05Å
607	C	87.2	Confident	82.1	Confident	0 Å²	0	54 Å²	54	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-64.8	-40.2	174.4	-57	0	0	0	0	110.9	Y604 N605 S611 C619	Y604-C607 VanDerWaalsContact O-CB 3.32Å; Y604-C607 WeakPolarHBondContact O-CB 3.42Å; Y604-C607 PolarHBondContact O-N 2.64Å; N605-C607 VanDerWaalsContact C-N 3.32Å; N605-C607 PolarHBondContact O-N 3.35Å; C607-S611 WeakPolarHBondContact O-CB 3.42Å; C607-S611 PolarHBondContact O-N 2.56Å; C607-C619 WeakPolarHBondContact CB-SG 3.38Å
608	C	85.9	Confident	83	Confident	13 Å²	13	54 Å²	54	9%	0.088	30%	0.295	C	S	.	.	H	α-helix	trans	-65.6	-45.2	175.4	-55.1	0	0	0	0	111	C549 N605 W606 S611 N612	C549-C608 HydrophobicContact CB-CB 4.11Å; C549-C608 VanDerWaalsContact SG-SG 3.7Å; N605-C608 WeakPolarHBondContact O-CB 3.31Å; N605-C608 PolarHBondContact O-N 2.87Å; N605-C608 VanDerWaalsContact O-N 3.16Å; W606-C608 VanDerWaalsContact C-N 3.33Å; C608-S611 PolarHBondContact O-N 3.34Å; C608-N612 WeakPolarHBondContact O-CB 3.1Å; C608-N612 PolarHBondContact O-N 3.3Å; C608-N612 PolarHBondContact O-OD1 3.26Å
609	T	85.7	Confident	84	Confident	39 Å²	39	48 Å²	48	24%	0.239	27%	0.272	C	S	.	.	H	α-helix	trans	-61.7	-47.5	177.6	-52.9	0	0	0	0	111.8	Y593 N605 W606 N612 L613	Y593-T609 HydrophobicContact CD1-CG2 3.6Å; Y593-T609 HydrophobicContact CE1-CG2 3.87Å; Y593-T609 HydrophobicContact CG-CG2 4.18Å; N605-T609 PolarHBondContact O-N 2.93Å; N605-T609 PolarHBondContact O-OG1 3.48Å; W606-T609 PolarHBondContact O-N 2.85Å; T609-N612 PolarHBondContact O-N 2.87Å; T609-L613 HydrophobicContact CG2-CD1 3.89Å; T609-L613 WeakPolarHBondContact O-CB 3.49Å; T609-L613 VanDerWaalsContact O-CG 3.28Å; T609-L613 WeakPolarHBondContact O-CG 3.4Å; T609-L613 PolarHBondContact O-N 3.36Å
610	L	87.6	Confident	84.8	Confident	0 Å²	0	43.2 Å²	43.2	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-67.7	-38.9	178.2	-72.2	-176.7	0	0	0	112.8	Y586 L589 Y593 I594 W606 N612 L613 I614 V622	Y586-L610 HydrophobicContact CD2-CD1 4.45Å; Y586-L610 HydrophobicContact CE2-CD1 4.07Å; L589-L610 HydrophobicContact CB-CD2 3.5Å; L589-L610 VanDerWaalsContact CB-CD2 3.5Å; L589-L610 HydrophobicContact CD1-CD2 4.27Å; Y593-L610 HydrophobicContact CD2-CD2 4.06Å; Y593-L610 HydrophobicContact CG-CD2 4.35Å; I594-L610 HydrophobicContact CD1-CD1 3.7Å; I594-L610 HydrophobicContact CG1-CD1 3.7Å; W606-L610 HydrophobicContact CE3-CD1 4.16Å; W606-L610 WeakPolarHBondContact O-CB 3.04Å; W606-L610 WeakPolarHBondContact O-CG 3.49Å; W606-L610 PolarHBondContact O-N 3.4Å; L610-N612 VanDerWaalsContact C-N 3.33Å; L610-N612 PolarHBondContact O-N 2.75Å; L610-L613 PolarHBondContact O-N 3.14Å; L610-I614 WeakPolarHBondContact O-CB 3.37Å; L610-I614 VanDerWaalsContact O-CG1 3.31Å; L610-I614 WeakPolarHBondContact O-CG1 3.43Å; L610-I614 PolarHBondContact O-N 3.02Å; L610-V622 HydrophobicContact CB-CG1 3.87Å; L610-V622 HydrophobicContact CD1-CG1 4.17Å
611	S	88.5	Confident	85.5	Confident	13 Å²	13	43.7 Å²	43.7	9%	0.091	24%	0.238	C	C	.	.	H	α-helix	trans	-58.8	-44.7	173.8	-178.7	0	0	0	0	111.3	C607 C608 G615 K617 K618 C619	C607-S611 WeakPolarHBondContact O-CB 3.42Å; C607-S611 PolarHBondContact O-N 2.56Å; C608-S611 PolarHBondContact O-N 3.34Å; S611-G615 PolarHBondContact O-N 2.96Å; S611-K617 WeakPolarHBondContact CA-O 3.42Å; S611-K617 WeakPolarHBondContact CB-O 3.45Å; S611-K617 PolarHBondContact OG-O 2.94Å; S611-K618 WeakPolarHBondContact OG-CA 3.42Å; S611-C619 PolarHBondContact OG-N 2.83Å; S611-C619 VanDerWaalsContact OG-N 3.13Å
612	N	87.7	Confident	86.1	Confident	115 Å²	115	41.7 Å²	41.7	62%	0.615	23%	0.23	S	C	*	.	H	α-helix	trans	-68.1	-33.4	176.8	-69	-2.6	0	0	0	113.4	C608 T609 L610	C608-N612 WeakPolarHBondContact O-CB 3.1Å; C608-N612 PolarHBondContact O-N 3.3Å; C608-N612 PolarHBondContact O-OD1 3.26Å; T609-N612 PolarHBondContact O-N 2.87Å; L610-N612 VanDerWaalsContact C-N 3.33Å; L610-N612 PolarHBondContact O-N 2.75Å
613	L	89.8	Confident	86.6	Confident	81 Å²	81	37.3 Å²	37.3	42%	0.424	21%	0.211	S	C	.	.	H	α-helix	trans	-81.3	-30.7	-179.7	-72.2	171.3	0	0	0	113.7	L589 Y593 T609 L610	L589-L613 HydrophobicContact CD1-CB 3.73Å; L589-L613 HydrophobicContact CD1-CD1 4.4Å; L589-L613 HydrophobicContact CD2-CD1 4.42Å; Y593-L613 HydrophobicContact CD2-CD1 3.95Å; Y593-L613 HydrophobicContact CE1-CD1 4.12Å; Y593-L613 HydrophobicContact CE2-CD1 3.49Å; Y593-L613 VanDerWaalsContact CE2-CD1 3.49Å; Y593-L613 HydrophobicContact CG-CD1 4.46Å; T609-L613 HydrophobicContact CG2-CD1 3.89Å; T609-L613 WeakPolarHBondContact O-CB 3.49Å; T609-L613 VanDerWaalsContact O-CG 3.28Å; T609-L613 WeakPolarHBondContact O-CG 3.4Å; T609-L613 PolarHBondContact O-N 3.36Å; L610-L613 PolarHBondContact O-N 3.14Å
614	I	90.2	Very high	87.1	Confident	16 Å²	16	34.6 Å²	34.6	8%	0.082	20%	0.2	C	C	.	.	H	α-helix	trans	-80.5	-33.1	173.8	-65.4	167.5	0	0	0	110.2	W578 L585 Y586 L589 L610 T616 K617 V622	W578-I614 HydrophobicContact CH2-CD1 4.22Å; W578-I614 HydrophobicContact CZ3-CD1 4.22Å; L585-I614 HydrophobicContact CD2-CB 4.49Å; L585-I614 HydrophobicContact CD2-CG1 4.18Å; L585-I614 HydrophobicContact CG-CG1 4.4Å; Y586-I614 HydrophobicContact CD2-CD1 4.27Å; L589-I614 HydrophobicContact CD1-CG1 4.09Å; L610-I614 WeakPolarHBondContact O-CB 3.37Å; L610-I614 VanDerWaalsContact O-CG1 3.31Å; L610-I614 WeakPolarHBondContact O-CG1 3.43Å; L610-I614 PolarHBondContact O-N 3.02Å; I614-T616 WeakPolarHBondContact CG2-OG1 3.45Å; I614-T616 PolarHBondContact O-N 2.97Å; I614-K617 HydrophobicContact CG2-CB 4.09Å; I614-K617 HydrophobicContact CG2-CG 3.91Å; I614-V622 HydrophobicContact CD1-CG2 4.45Å
615	G	87.4	Confident	87.3	Confident	63 Å²	63	34 Å²	34	65%	0.649	20%	0.198	S	C	*	.	S	Bend	trans	74.6	-36.2	173.9	0	0	0	0	0	115.1	S611	S611-G615 PolarHBondContact O-N 2.96Å
616	T	88.3	Confident	87.5	Confident	92 Å²	92	33.3 Å²	33.3	56%	0.564	19%	0.194	S	C	*	.	S	Bend	trans	-88.2	-20.3	-179.4	58.2	0	0	0	0	114.1	E582 I614	E582-T616 WeakPolarHBondContact OE1-CB 3.4Å; E582-T616 PolarHBondContact OE1-OG1 3.49Å; I614-T616 WeakPolarHBondContact CG2-OG1 3.45Å; I614-T616 PolarHBondContact O-N 2.97Å
617	K	88.5	Confident	87.5	Confident	18 Å²	18	37 Å²	37	8%	0.078	22%	0.221	C	C	.	.	S	Bend	trans	-110.4	137	-175	-63.4	-60.7	-173.8	-159.8	0	112.7	D577 W578 E582 S611 I614 V622	D577-K617 PolarHBondContact O-NZ 2.94Å; W578-K617 HydrophobicContact CD2-CD 4.35Å; W578-K617 HydrophobicContact CD2-CG 4.43Å; W578-K617 HydrophobicContact CE3-CG 4.39Å; W578-K617 HydrophobicContact CH2-CB 4.26Å; W578-K617 HydrophobicContact CH2-CG 3.79Å; W578-K617 HydrophobicContact CZ2-CB 4.29Å; W578-K617 HydrophobicContact CZ2-CD 4.07Å; W578-K617 HydrophobicContact CZ2-CG 3.8Å; W578-K617 HydrophobicContact CZ3-CG 4.08Å; E582-K617 VanDerWaalsContact OE1-CE 3.3Å; E582-K617 WeakPolarHBondContact OE1-CE 3.38Å; E582-K617 IonicContact OE1-NZ 3.5Å; E582-K617 WeakPolarHBondContact OE2-CE 3.36Å; E582-K617 IonicContact OE2-NZ 3.66Å; E582-K617 PolarHBondContact OE2-NZ 2.93Å; S611-K617 WeakPolarHBondContact CA-O 3.42Å; S611-K617 WeakPolarHBondContact CB-O 3.45Å; S611-K617 PolarHBondContact OG-O 2.94Å; I614-K617 HydrophobicContact CG2-CB 4.09Å; I614-K617 HydrophobicContact CG2-CG 3.91Å; K617-V622 HydrophobicContact CB-CG2 3.91Å
618	K	89.5	Confident	87.2	Confident	88 Å²	88	40.9 Å²	40.9	38%	0.383	25%	0.253	S	S	.	.			trans	-76.8	155.7	176.9	-54.2	175.5	-165.8	91	0	111.1	W552 S611 S620 E621 V622	W552-K618 HydrophobicContact CB-CB 4.12Å; W552-K618 HydrophobicContact CB-CD 4.04Å; W552-K618 HydrophobicContact CD2-CD 4.3Å; W552-K618 HydrophobicContact CG-CD 3.72Å; S611-K618 WeakPolarHBondContact OG-CA 3.42Å; K618-S620 VanDerWaalsContact C-N 3.28Å; K618-S620 PolarHBondContact O-N 3.49Å; K618-E621 HydrophobicContact CB-CB 4.42Å; K618-E621 HydrophobicContact CB-CG 4.08Å; K618-E621 WeakPolarHBondContact CB-OE2 3.5Å; K618-E621 WeakPolarHBondContact CG-OE2 3.45Å; K618-E621 PolarHBondContact N-OE2 3.41Å; K618-E621 IonicContact NZ-OE1 3.56Å; K618-E621 PolarHBondContact NZ-OE1 2.68Å; K618-E621 IonicContact NZ-OE2 3.61Å; K618-E621 WeakPolarHBondContact O-CB 3.34Å; K618-E621 PolarHBondContact O-N 3.32Å; K618-V622 WeakPolarHBondContact O-CG2 3.43Å; K618-V622 PolarHBondContact O-N 2.63Å
619	C	89.5	Confident	86.7	Confident	1 Å²	1	43.8 Å²	43.8	1%	0.007	27%	0.265	C	S	.	.	H	α-helix	trans	-56.6	-35.8	178.7	177	0	0	0	0	113.8	C549 V554 C607 S611 L623	C549-C619 WeakPolarHBondContact SG-CB 3.43Å; V554-C619 WeakPolarHBondContact CG2-O 3.49Å; V554-C619 PolarHBondContact N-SG 2.8Å; V554-C619 VanDerWaalsContact N-SG 3.37Å; C607-C619 WeakPolarHBondContact CB-SG 3.38Å; S611-C619 PolarHBondContact OG-N 2.83Å; S611-C619 VanDerWaalsContact OG-N 3.13Å; C619-L623 PolarHBondContact O-N 2.69Å; C619-L623 VanDerWaalsContact O-N 3.16Å
620	S	86.4	Confident	85.9	Confident	10 Å²	10	47 Å²	47	7%	0.07	28%	0.281	C	S	.	.	H	α-helix	trans	-66.3	-45.2	170.3	57.9	0	0	0	0	113	W552 K618 V622 L623 S624	W552-S620 PolarHBondContact O-N 2.73Å; K618-S620 VanDerWaalsContact C-N 3.28Å; K618-S620 PolarHBondContact O-N 3.49Å; S620-V622 VanDerWaalsContact C-N 3.33Å; S620-V622 PolarHBondContact O-N 2.75Å; S620-L623 PolarHBondContact O-N 3.35Å; S620-L623 VanDerWaalsContact O-N 3.15Å; S620-S624 WeakPolarHBondContact O-CB 3.4Å; S620-S624 PolarHBondContact O-N 3.39Å
621	E	88.2	Confident	84.8	Confident	34 Å²	34	49 Å²	49	16%	0.159	29%	0.29	C	S	.	.	H	α-helix	trans	-64.2	-38	179.7	-63.1	165.5	168.8	0	0	111.6	C576 K618 S624 Y625	C576-E621 VanDerWaalsContact SG-CD 3.6Å; K618-E621 HydrophobicContact CB-CB 4.42Å; K618-E621 HydrophobicContact CB-CG 4.08Å; K618-E621 WeakPolarHBondContact CB-OE2 3.5Å; K618-E621 WeakPolarHBondContact CG-OE2 3.45Å; K618-E621 PolarHBondContact N-OE2 3.41Å; K618-E621 IonicContact NZ-OE1 3.56Å; K618-E621 PolarHBondContact NZ-OE1 2.68Å; K618-E621 IonicContact NZ-OE2 3.61Å; K618-E621 WeakPolarHBondContact O-CB 3.34Å; K618-E621 PolarHBondContact O-N 3.32Å; E621-S624 PolarHBondContact O-N 2.97Å; E621-Y625 VanDerWaalsContact O-CB 3.32Å; E621-Y625 WeakPolarHBondContact O-CB 3.44Å; E621-Y625 PolarHBondContact O-N 3.28Å
622	V	88.2	Confident	83.3	Confident	0 Å²	0	52.1 Å²	52.1	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-63.6	-42.7	172.5	172.3	0	0	0	0	111.4	W578 L610 I614 K617 K618 S620 A626	W578-V622 HydrophobicContact CH2-CG2 4.32Å; L610-V622 HydrophobicContact CB-CG1 3.87Å; L610-V622 HydrophobicContact CD1-CG1 4.17Å; I614-V622 HydrophobicContact CD1-CG2 4.45Å; K617-V622 HydrophobicContact CB-CG2 3.91Å; K618-V622 WeakPolarHBondContact O-CG2 3.43Å; K618-V622 PolarHBondContact O-N 2.63Å; S620-V622 VanDerWaalsContact C-N 3.33Å; S620-V622 PolarHBondContact O-N 2.75Å; V622-A626 WeakPolarHBondContact O-CB 3.23Å; V622-A626 PolarHBondContact O-N 3.5Å
623	L	87.1	Confident	81.9	Confident	37 Å²	37	51.5 Å²	51.5	19%	0.194	31%	0.313	C	S	.	.	H	α-helix	trans	-67.5	-42.1	176	176.7	63.6	0	0	0	112.1	V554 Y604 W606 C619 S620 A626 S627	V554-L623 HydrophobicContact CB-CD2 4.38Å; V554-L623 HydrophobicContact CG1-CD2 3.72Å; V554-L623 HydrophobicContact CG2-CB 3.9Å; V554-L623 HydrophobicContact CG2-CD2 3.68Å; V554-L623 HydrophobicContact CG2-CG 4.44Å; Y604-L623 HydrophobicContact CD1-CD1 4.12Å; Y604-L623 HydrophobicContact CD1-CD2 4.35Å; Y604-L623 HydrophobicContact CE1-CD1 3.84Å; Y604-L623 HydrophobicContact CE1-CD2 4.13Å; W606-L623 HydrophobicContact CH2-CD1 3.95Å; W606-L623 HydrophobicContact CZ2-CD1 4.19Å; C619-L623 PolarHBondContact O-N 2.69Å; C619-L623 VanDerWaalsContact O-N 3.16Å; S620-L623 PolarHBondContact O-N 3.35Å; S620-L623 VanDerWaalsContact O-N 3.15Å; L623-A626 PolarHBondContact O-N 3.25Å; L623-S627 WeakPolarHBondContact O-CB 3.22Å; L623-S627 PolarHBondContact O-N 3.17Å; L623-S627 PolarHBondContact O-OG 3.47Å
624	S	86.8	Confident	80.4	Confident	41 Å²	41	48.8 Å²	48.8	29%	0.287	30%	0.298	S	S	.	.	H	α-helix	trans	-62.8	-47.1	179.5	-162.2	0	0	0	0	110.4	E573 S620 E621 S627 A628	E573-S624 WeakPolarHBondContact OE2-CB 3.18Å; E573-S624 PolarHBondContact OE2-OG 3.27Å; S620-S624 WeakPolarHBondContact O-CB 3.4Å; S620-S624 PolarHBondContact O-N 3.39Å; E621-S624 PolarHBondContact O-N 2.97Å; S624-S627 PolarHBondContact O-N 3.27Å; S624-A628 PolarHBondContact O-N 3.24Å
625	Y	86.8	Confident	78.7	Confident	34 Å²	34	52.7 Å²	52.7	13%	0.133	32%	0.319	C	S	.	.	H	α-helix	trans	-61.8	-46.7	173.2	-172.8	-96.6	0	0	0	112.3	W578 I583 Y586 E621 S627 A628 Q629	W578-Y625 HydrophobicContact CB-CE2 4.32Å; W578-Y625 AromaticContact CD1-CD2 3.69Å; W578-Y625 HydrophobicContact CD2-CD1 4.43Å; W578-Y625 AromaticContact CD2-CD2 3.67Å; W578-Y625 HydrophobicContact CD2-CD2 3.67Å; W578-Y625 AromaticContact CD2-CE2 3.92Å; W578-Y625 HydrophobicContact CD2-CE2 3.92Å; W578-Y625 AromaticContact CD2-CG 3.95Å; W578-Y625 HydrophobicContact CD2-CG 3.95Å; W578-Y625 AromaticContact CE2-CD2 3.54Å; W578-Y625 AromaticContact CE2-CG 3.51Å; W578-Y625 HydrophobicContact CE3-CD1 4.41Å; W578-Y625 HydrophobicContact CE3-CD2 4.34Å; W578-Y625 HydrophobicContact CE3-CE1 4.43Å; W578-Y625 HydrophobicContact CE3-CE2 4.35Å; W578-Y625 HydrophobicContact CE3-CG 4.37Å; W578-Y625 AromaticContact CG-CD2 3.79Å; W578-Y625 HydrophobicContact CG-CD2 3.79Å; W578-Y625 AromaticContact CG-CE2 3.9Å; W578-Y625 HydrophobicContact CG-CE2 3.9Å; W578-Y625 HydrophobicContact CH2-CD1 4.02Å; W578-Y625 HydrophobicContact CH2-CG 4.05Å; W578-Y625 HydrophobicContact CZ2-CD1 4.05Å; W578-Y625 HydrophobicContact CZ2-CD2 4.12Å; W578-Y625 AromaticContact CZ2-CG 3.58Å; W578-Y625 HydrophobicContact CZ2-CG 3.58Å; W578-Y625 HydrophobicContact CZ3-CD1 4.22Å; W578-Y625 HydrophobicContact CZ3-CE1 4.45Å; W578-Y625 HydrophobicContact CZ3-CG 4.43Å; W578-Y625 AromaticContact NE1-CD2 3.55Å; W578-Y625 AromaticContact NE1-CG 3.86Å; I583-Y625 HydrophobicContact CG1-CE2 4.49Å; I583-Y625 WeakPolarHBondContact CG2-OH 3.5Å; Y586-Y625 HydrophobicContact CD1-CD1 4.04Å; Y586-Y625 AromaticContact CD1-CE1 3.57Å; Y586-Y625 HydrophobicContact CD1-CE1 3.57Å; Y586-Y625 HydrophobicContact CD2-CD1 4.21Å; Y586-Y625 HydrophobicContact CD2-CE1 4.46Å; Y586-Y625 HydrophobicContact CE1-CD1 4.01Å; Y586-Y625 AromaticContact CE1-CE1 3.82Å; Y586-Y625 HydrophobicContact CE1-CE1 3.82Å; Y586-Y625 HydrophobicContact CE2-CD1 4.2Å; Y586-Y625 HydrophobicContact CG-CD1 4.14Å; Y586-Y625 AromaticContact CG-CE1 3.92Å; Y586-Y625 HydrophobicContact CG-CE1 3.92Å; E621-Y625 VanDerWaalsContact O-CB 3.32Å; E621-Y625 WeakPolarHBondContact O-CB 3.44Å; E621-Y625 PolarHBondContact O-N 3.28Å; Y625-S627 VanDerWaalsContact C-N 3.32Å; Y625-S627 PolarHBondContact O-N 3.01Å; Y625-A628 PolarHBondContact O-N 3.04Å; Y625-A628 VanDerWaalsContact O-N 3.11Å; Y625-Q629 HydrophobicContact CD1-CG 3.99Å; Y625-Q629 HydrophobicContact CE1-CG 3.62Å; Y625-Q629 VanDerWaalsContact CZ-NE2 3.28Å; Y625-Q629 WeakPolarHBondContact O-CG 3.27Å; Y625-Q629 PolarHBondContact O-N 3.39Å; Y625-Q629 PolarHBondContact OH-NE2 2.85Å
626	A	85.3	Confident	77	Confident	0 Å²	0	55.1 Å²	55.1	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-55.8	-47.8	176.6	0	0	0	0	0	111.4	Y586 W606 V622 L623 A628 Q629 H631	Y586-A626 WeakPolarHBondContact OH-CA 3.49Å; Y586-A626 VanDerWaalsContact OH-CB 3.28Å; Y586-A626 WeakPolarHBondContact OH-CB 3.33Å; W606-A626 HydrophobicContact CH2-CB 3.89Å; W606-A626 HydrophobicContact CZ3-CB 4.05Å; V622-A626 WeakPolarHBondContact O-CB 3.23Å; V622-A626 PolarHBondContact O-N 3.5Å; L623-A626 PolarHBondContact O-N 3.25Å; A626-A628 PolarHBondContact O-N 3.44Å; A626-Q629 PolarHBondContact O-N 3.28Å; A626-H631 PolarHBondContact O-CE1 3.12Å; A626-H631 PolarHBondContact O-NE2 3.03Å
627	S	82.2	Confident	75.2	Confident	83 Å²	83	54.8 Å²	54.8	58%	0.58	32%	0.316	S	S	*	.	H	α-helix	trans	-64	-21.2	-179.8	-54.4	0	0	0	0	113.7	L623 S624 Y625	L623-S627 WeakPolarHBondContact O-CB 3.22Å; L623-S627 PolarHBondContact O-N 3.17Å; L623-S627 PolarHBondContact O-OG 3.47Å; S624-S627 PolarHBondContact O-N 3.27Å; Y625-S627 VanDerWaalsContact C-N 3.32Å; Y625-S627 PolarHBondContact O-N 3.01Å
628	A	82.1	Confident	73.3	Confident	81 Å²	81	56 Å²	56	67%	0.669	32%	0.323	S	S	*	.	H	α-helix	trans	-89.3	-15.6	174.8	0	0	0	0	0	113.8	S624 Y625 A626	S624-A628 PolarHBondContact O-N 3.24Å; Y625-A628 PolarHBondContact O-N 3.04Å; Y625-A628 VanDerWaalsContact O-N 3.11Å; A626-A628 PolarHBondContact O-N 3.44Å
629	Q	75.8	Confident	70.7	Confident	73 Å²	73	56.7 Å²	56.7	34%	0.341	34%	0.339	S	S	.	.	S	Bend	trans	-88.2	138.7	-178.8	-69.3	-54.4	-38.4	0	0	112.5	Y586 Y625 A626 H631	Y586-Q629 HydrophobicContact CE1-CG 4.49Å; Y625-Q629 HydrophobicContact CD1-CG 3.99Å; Y625-Q629 HydrophobicContact CE1-CG 3.62Å; Y625-Q629 VanDerWaalsContact CZ-NE2 3.28Å; Y625-Q629 WeakPolarHBondContact O-CG 3.27Å; Y625-Q629 PolarHBondContact O-N 3.39Å; Y625-Q629 PolarHBondContact OH-NE2 2.85Å; A626-Q629 PolarHBondContact O-N 3.28Å; Q629-H631 PolarHBondContact O-N 2.89Å
630	N	67.1	Low	68	Low	106 Å²	106	59.4 Å²	59.4	57%	0.567	37%	0.367	S	S	*	.			trans	-75.2	92.1	171.6	-171.2	-11.6	0	0	0	110.4	S632 T633	N630-S632 PolarHBondContact O-N 3.21Å; N630-S632 WeakPolarHBondContact OD1-CB 3.31Å; N630-S632 PolarHBondContact OD1-N 3.17Å; N630-S632 PolarHBondContact OD1-OG 3.27Å; N630-T633 PolarHBondContact O-N 3.07Å; N630-T633 VanDerWaalsContact O-N 3.13Å
631	H	64.4	Low	65.4	Low	43 Å²	43	66.9 Å²	66.9	20%	0.199	40%	0.401	C	S	.	.	H	α-helix	trans	-54.1	-23.5	-176.2	-59.4	-45.7	0	0	0	114.9	Y596 A626 Q629 T633 L634 L635	Y596-H631 HydrophobicContact CD1-CB 4.47Å; Y596-H631 HydrophobicContact CE1-CB 3.88Å; Y596-H631 AromaticContact CE1-CD2 3.58Å; Y596-H631 AromaticContact CE1-CE1 3.7Å; Y596-H631 AromaticContact CE1-CG 3.43Å; Y596-H631 VanDerWaalsContact CE1-CG 3.43Å; Y596-H631 AromaticContact CE1-ND1 3.52Å; Y596-H631 AromaticContact CE1-NE2 3.73Å; Y596-H631 AromaticContact CZ-CE1 3.99Å; Y596-H631 AromaticContact CZ-CG 3.87Å; Y596-H631 AromaticContact CZ-ND1 3.6Å; Y596-H631 PolarHBondContact OH-CE1 3.4Å; Y596-H631 PolarHBondContact OH-ND1 3.04Å; A626-H631 PolarHBondContact O-CE1 3.12Å; A626-H631 PolarHBondContact O-NE2 3.03Å; Q629-H631 PolarHBondContact O-N 2.89Å; H631-T633 PolarHBondContact O-N 3.03Å; H631-L634 PolarHBondContact O-N 3.41Å; H631-L635 PolarHBondContact O-N 3.39Å
632	S	57.2	Low	62.7	Low	78 Å²	78	74 Å²	74	55%	0.545	44%	0.439	S	S	.	.	H	α-helix	trans	-53.6	-38.5	175.8	-56.1	0	0	0	0	112.5	N630 L636	N630-S632 PolarHBondContact O-N 3.21Å; N630-S632 WeakPolarHBondContact OD1-CB 3.31Å; N630-S632 PolarHBondContact OD1-N 3.17Å; N630-S632 PolarHBondContact OD1-OG 3.27Å; S632-L636 WeakPolarHBondContact O-CG 3.31Å; S632-L636 PolarHBondContact O-N 3.02Å
633	T	59.3	Low	59.9	Low	103 Å²	103	77.6 Å²	77.6	63%	0.632	46%	0.464	S	S	*	.	H	α-helix	trans	-72	-28.9	-179.9	-47.3	0	0	0	0	112.7	N630 H631	N630-T633 PolarHBondContact O-N 3.07Å; N630-T633 VanDerWaalsContact O-N 3.13Å; H631-T633 PolarHBondContact O-N 3.03Å
634	L	58.2	Low	57.1	Low	24 Å²	24	83.9 Å²	83.9	13%	0.126	49%	0.493	C	S	.	.	H	α-helix	trans	-83	-17.2	-179	-60.8	174.4	0	0	0	113.3	Y586 Q587 P591 H631	Y586-L634 HydrophobicContact CE1-CD1 3.91Å; Q587-L634 HydrophobicContact CB-CD2 4.43Å; Q587-L634 HydrophobicContact CG-CD2 4.09Å; P591-L634 HydrophobicContact CG-CB 4.43Å; P591-L634 VanDerWaalsContact CG-O 3.29Å; P591-L634 WeakPolarHBondContact CG-O 3.28Å; H631-L634 PolarHBondContact O-N 3.41Å
635	L	54.6	Low	54.5	Low	97 Å²	97	87.5 Å²	87.5	51%	0.508	51%	0.508	S	S	.	.	H	α-helix	trans	-102.8	-12.5	-175.7	-76.5	172.7	0	0	0	114.2	Y596 H631	Y596-L635 HydrophobicContact CD1-CD1 4.38Å; Y596-L635 HydrophobicContact CD2-CD1 4.02Å; Y596-L635 HydrophobicContact CD2-CD2 3.65Å; Y596-L635 HydrophobicContact CD2-CG 4.05Å; Y596-L635 HydrophobicContact CE2-CD2 4.27Å; Y596-L635 HydrophobicContact CE2-CG 4.4Å; Y596-L635 HydrophobicContact CG-CD1 3.85Å; Y596-L635 HydrophobicContact CG-CD2 4.22Å; Y596-L635 HydrophobicContact CG-CG 4.4Å; H631-L635 PolarHBondContact O-N 3.39Å
636	L	50.8	Low	51.6	Low	114 Å²	114	96.2 Å²	96.2	60%	0.597	54%	0.541	S	S	*	.	S	Bend	trans	-63.7	139	169.5	-76.1	163.8	0	0	0	109.6	S632	S632-L636 WeakPolarHBondContact O-CG 3.31Å; S632-L636 PolarHBondContact O-N 3.02Å
637	P	51.2	Low	49.2	Very low	86 Å²	86	100 Å²	100	56%	0.558	56%	0.564	S	S	*	*			trans	-54.4	147.6	157.3	-17.2	30.5	0	0	0	108.5	S639	P637-S639 WeakPolarHBondContact O-CB 3.23Å; P637-S639 PolarHBondContact O-N 2.86Å; P637-S639 PolarHBondContact O-OG 2.83Å
638	D	48.8	Very low	46.7	Very low	43 Å²	43	101 Å²	101	23%	0.23	57%	0.569	C	S	.	*			trans	-65.6	69.4	-174.3	-61.6	-60.1	0	0	0	112.6	A499 R506 Q527 G640	A499-D638 HydrophobicContact CB-CB 4.44Å; R506-D638 IonicContact CZ-OD2 3.78Å; R506-D638 IonicContact NH1-OD2 3.57Å; R506-D638 PolarHBondContact NH1-OD2 3.34Å; R506-D638 IonicContact NH2-OD2 2.74Å; R506-D638 PolarHBondContact NH2-OD2 3.33Å; Q527-D638 PolarHBondContact NE2-O 2.94Å; D638-G640 PolarHBondContact O-N 3.48Å
639	S	34.1	Very low	44.5	Very low	102 Å²	102	98.7 Å²	98.7	71%	0.713	55%	0.552	S	S	*	*			trans	-91	59.3	-156.8	-58.6	0	0	0	0	112.4	P637	P637-S639 WeakPolarHBondContact O-CB 3.23Å; P637-S639 PolarHBondContact O-N 2.86Å; P637-S639 PolarHBondContact O-OG 2.83Å
640	G	32.8	Very low	42.5	Very low	58 Å²	58	99.2 Å²	99.2	60%	0.598	56%	0.56	S	S	*	*			trans	177.1	72.1	-179.2	0	0	0	0	0	116.8	D638	D638-G640 PolarHBondContact O-N 3.48Å
641	Q	33.3	Very low	40.7	Very low	167 Å²	167	98 Å²	98	78%	0.78	57%	0.574	S	S	*	*			trans	-168.8	81.1	137.8	-106.6	168.8	64.5	0	0	111	S643	Q641-S643 PolarHBondContact O-N 2.81Å
642	L	29.7	Very low	39	Very low	184 Å²	184	101.4 Å²	101.4	96%	0.963	59%	0.592	S	S	*	*			trans	-79.3	55.8	164.1	-89.5	164.5	0	0	0	110.2
643	S	30.2	Very low	37.5	Very low	76 Å²	76	106.5 Å²	106.5	53%	0.531	61%	0.607	S	S	.	*			trans	-70.6	134.6	163.1	48	0	0	0	0	108.3	Q641 L645	Q641-S643 PolarHBondContact O-N 2.81Å; S643-L645 PolarHBondContact O-N 2.87Å
644	Q	29.1	Very low	35.9	Very low	169 Å²	169	112.6 Å²	112.6	79%	0.79	62%	0.619	S	S	*	*			trans	-70.7	96.1	178.5	-69.1	179.3	-3.5	0	0	109.2	R646	Q644-R646 PolarHBondContact O-N 3.43Å
645	L	31.9	Very low	34.3	Very low	116 Å²	116	114.1 Å²	114.1	61%	0.607	64%	0.641	S	S	*	*			trans	-67.6	80	162.5	-73.4	175.9	0	0	0	108.6	S643 V647	S643-L645 PolarHBondContact O-N 2.87Å; L645-V647 PolarHBondContact O-N 3.3Å
646	R	26.4	Very low	33	Very low	217 Å²	217	121.4 Å²	121.4	82%	0.819	66%	0.661	S	S	*	*			trans	-58.5	105.3	169.4	179.1	-173.8	-68.1	139.7	-1.9	107.6	Q644 P648	Q644-R646 PolarHBondContact O-N 3.43Å; R646-P648 VanDerWaalsContact O-CD 3.32Å; R646-P648 WeakPolarHBondContact O-CD 3.41Å
647	V	33.9	Very low	31.7	Very low	81 Å²	81	126.9 Å²	126.9	49%	0.491	67%	0.674	S	S	.	*			trans	-68.7	118.7	170.7	174.2	0	0	0	0	107.5	L645	L645-V647 PolarHBondContact O-N 3.3Å
648	P	29.9	Very low	30.5	Very low	104 Å²	104	128.2 Å²	128.2	68%	0.675	69%	0.685	S	S	*	*	S	Bend	trans	-66.7	153.6	162.4	-10.6	28.3	0	0	0	109.1	R646	R646-P648 VanDerWaalsContact O-CD 3.32Å; R646-P648 WeakPolarHBondContact O-CD 3.41Å
649	G	34.7	Very low	29.5	Very low	32 Å²	32	133.1 Å²	133.1	33%	0.33	72%	0.717	S	S	.	*	S	Bend	trans	93.3	-14.7	164.9	0	0	0	0	0	118
650	T	34.1	Very low	29.2	Very low	83 Å²	83	134 Å²	134	51%	0.509	72%	0.723	S	S	.	*			trans	-108.2	98.5	172.7	55.8	0	0	0	0	112.1	I652	T650-I652 PolarHBondContact O-N 3.5Å
651	G	29.1	Very low	29	Very low	82 Å²	82	138 Å²	138	85%	0.845	74%	0.736	S	S	*	*			trans	-69.1	7.4	-176.9	0	0	0	0	0	116.6	E653	G651-E653 PolarHBondContact O-N 3.01Å
652	I	30.5	Very low	28.9	Very low	114 Å²	114	134.3 Å²	134.3	59%	0.585	74%	0.735	S	S	*	*			trans	-87.9	83.5	180	-41.3	-179.8	0	0	0	109.7	T650 W654	T650-I652 PolarHBondContact O-N 3.5Å; I652-W654 VanDerWaalsContact C-N 3.33Å; I652-W654 VanDerWaalsContact CG2-CD1 3.48Å; I652-W654 PolarHBondContact O-N 3.23Å
653	E	25.4	Very low	29	Very low	184 Å²	184	130.5 Å²	130.5	86%	0.86	72%	0.723	S	S	*	*			trans	-61.7	96.8	161.2	-76.1	-155.7	140.6	0	0	109.3	G651 G655	G651-E653 PolarHBondContact O-N 3.01Å; E653-G655 PolarHBondContact O-N 3.4Å
654	W	26	Very low	29	Very low	231 Å²	231	134 Å²	134	88%	0.875	74%	0.735	S	S	*	*			trans	-67.5	79.2	162.8	-83.6	71.8	0	0	0	108.6	I652 R656	I652-W654 VanDerWaalsContact C-N 3.33Å; I652-W654 VanDerWaalsContact CG2-CD1 3.48Å; I652-W654 PolarHBondContact O-N 3.23Å; W654-R656 PolarHBondContact O-N 3.08Å
655	G	24.8	Very low	29.1	Very low	57 Å²	57	132.2 Å²	132.2	59%	0.588	73%	0.731	S	S	*	*			trans	-57.6	125.2	-168.3	0	0	0	0	0	112.1	E653 R657	E653-G655 PolarHBondContact O-N 3.4Å; G655-R657 VanDerWaalsContact C-N 3.34Å; G655-R657 PolarHBondContact O-N 3.06Å
656	R	25.9	Very low	29.1	Very low	249 Å²	249	133.8 Å²	133.8	94%	0.94	74%	0.74	S	S	*	*			trans	-63	92.8	170.7	-71.8	-175	177.3	-138.3	1.6	110.2	W654	W654-R656 PolarHBondContact O-N 3.08Å
657	R	24.2	Very low	29.4	Very low	230 Å²	230	127.1 Å²	127.1	87%	0.868	74%	0.739	S	S	*	*			trans	-111.2	149.1	157.9	-67.1	-171.1	-177.4	-119.4	1	109.1	G655	G655-R657 VanDerWaalsContact C-N 3.34Å; G655-R657 PolarHBondContact O-N 3.06Å
658	S	26	Very low	29.3	Very low	114 Å²	114	126.5 Å²	126.5	80%	0.797	75%	0.749	S	S	*	*	S	Bend	trans	68	85.5	174.2	-51.1	0	0	0	0	116.9
659	T	27.4	Very low	29.4	Very low	146 Å²	146	129 Å²	129	90%	0.896	76%	0.756	S	S	*	*				-174.9	77.5	124.8	21.7	0	0	0	0	112.2
660	S	28.6	Very low	29.2	Very low	120 Å²	120	133 Å²	133	84%	0.839	78%	0.778	S	S	*	*			trans	-146.8	83.8	161.9	57.5	0	0	0	0	108.8
661	T	28.2	Very low	29.1	Very low	141 Å²	141	134.3 Å²	134.3	87%	0.865	80%	0.798	S	S	*	*			trans	-87.5	108.2	-175.2	47.2	0	0	0	0	111.7
662	A	30.6	Very low	29.3	Very low	91 Å²	91	134.4 Å²	134.4	75%	0.752	80%	0.799	S	S	*	*			trans	-160.1	139.7	159.8	0	0	0	0	0	111
663	S	31.3	Very low	29.3	Very low	103 Å²	103	135 Å²	135	72%	0.72	81%	0.812	S	S	*	*			trans	39.2	107.4	160.4	-54.7	0	0	0	0	119.4
664	L	30.3	Very low	29.6	Very low	151 Å²	151	130 Å²	130	79%	0.791	81%	0.811	S	S	*	*				83.6	127	66.3	-76.7	167	0	0	0	114.2
665	N	31.8	Very low	29.6	Very low	130 Å²	130	124.4 Å²	124.4	70%	0.695	81%	0.807	S	S	*	*			trans	65.4	141.5	166.6	-65.1	43.8	0	0	0	116
666	D	32.2	Very low	29.7	Very low	149 Å²	149	128 Å²	128	80%	0.797	82%	0.822	S	S	*	*			cis	-143.2	168.5	-15.7	-76.6	-45.5	0	0	0	104.9
667	G	32.2	Very low	29.8	Very low	77 Å²	77	122.1 Å²	122.1	79%	0.794	82%	0.819	S	S	*	*			cis	150.5	138.5	8	0	0	0	0	0	107.9
668	G	31.7	Very low	30.1	Very low	68 Å²	68	115.3 Å²	115.3	70%	0.701	82%	0.82	S	S	*	*			trans	130	98.3	174	0	0	0	0	0	117.1
669	D	32.3	Very low	30.2	Very low	156 Å²	156	115.1 Å²	115.1	83%	0.834	82%	0.819	S	S	*	*			trans	29.9	144.6	131.5	-44.1	-38.2	0	0	0	120.9
670	C	30.1	Very low	30.4	Very low	117 Å²	117	115.1 Å²	115.1	79%	0.791	82%	0.818	S	S	*	*			cis	-152.9	145.7	38.3	-54.3	0	0	0	0	115.1
671	A	32.4	Very low	30.3	Very low	111 Å²	111	117.1 Å²	117.1	92%	0.917	81%	0.814	S	S	*	*			trans	41.9	123.1	141.3	0	0	0	0	0	122.8
672	G	32.8	Very low	30.4	Very low	84 Å²	84	118 Å²	118	87%	0.866	81%	0.813	S	S	*	*			trans	-177.1	64.8	167.8	0	0	0	0	0	112.8
673	S	30.6	Very low	30.2	Very low	125 Å²	125	120 Å²	120	87%	0.874	81%	0.811	S	S	*	*			trans	-79.9	145.4	-161.7	55.3	0	0	0	0	116.6
674	G	31.4	Very low	30.2	Very low	80 Å²	80	118.9 Å²	118.9	83%	0.825	82%	0.816	S	S	*	*			trans	-170.6	55.4	173.3	0	0	0	0	0	114.8
675	S	27.5	Very low	30	Very low	113 Å²	113	120 Å²	120	79%	0.79	82%	0.818	S	S	*	*			trans	-82.6	139.7	-175.2	-57.6	0	0	0	0	114.4
676	C	27.1	Very low	30	Very low	134 Å²	134	122.9 Å²	122.9	91%	0.905	82%	0.824	S	S	*	*			trans	-144.6	128.9	149.9	-96.3	0	0	0	0	108.5
677	S	27.7	Very low	29.9	Very low	125 Å²	125	120.7 Å²	120.7	87%	0.874	82%	0.816	S	S	*	*			trans	-136.8	137.3	-179.4	-56.7	0	0	0	0	110
678	G	29.8	Very low	29.6	Very low	86 Å²	86	125.4 Å²	125.4	89%	0.887	82%	0.818	S	S	*	*			trans	-147.3	91.6	-179.6	0	0	0	0	0	110.3
679	S	28.5	Very low	29.5	Very low	111 Å²	111	131.4 Å²	131.4	78%	0.776	83%	0.828	S	S	*	*			trans	-97.4	134.8	-177.9	52.3	0	0	0	0	111.7
680	V	30.2	Very low	29.3	Very low	146 Å²	146	127.9 Å²	127.9	89%	0.885	82%	0.82	S	S	*	*			trans	-122.7	115.6	160.2	179	0	0	0	0	107.4
681	Q	27.1	Very low	29.4	Very low	161 Å²	161	131.1 Å²	131.1	75%	0.752	83%	0.826	S	S	*	*			trans	-95.5	148.3	162.9	-66.7	175.2	-59.3	0	0	108
682	D	30.3	Very low	29.4	Very low	160 Å²	160	132.2 Å²	132.2	86%	0.856	82%	0.816	S	S	*	*			trans	-139	141.5	150.6	-161.9	4.2	0	0	0	107.9
683	N	26.7	Very low	29.2	Very low	132 Å²	132	134.1 Å²	134.1	71%	0.706	81%	0.807	S	S	*	*			trans	-118.4	145.9	-166.2	-71.4	-39.6	0	0	0	111.1
684	G	30.7	Very low	29.3	Very low	80 Å²	80	135 Å²	135	83%	0.825	80%	0.801	S	S	*	*			trans	-157.9	85.8	179.1	0	0	0	0	0	111.9
685	E	27.5	Very low	29.2	Very low	175 Å²	175	137.1 Å²	137.1	82%	0.818	79%	0.794	S	S	*	*			trans	-69.4	160.8	172.7	-64	168.9	97.1	0	0	111.8
686	F	30.2	Very low	29.4	Very low	191 Å²	191	139.2 Å²	139.2	84%	0.838	79%	0.791	S	S	*	*				-176	118.4	114.1	-107.4	-79.8	0	0	0	110.6
687	T	30.3	Very low	29.5	Very low	103 Å²	103	137.5 Å²	137.5	63%	0.632	78%	0.781	S	S	*	*			trans	18.5	130.8	148.8	59	0	0	0	0	119.9
688	E	27.2	Very low	29.5	Very low	176 Å²	176	136.7 Å²	136.7	82%	0.822	78%	0.775	S	S	*	*				57.8	140	87.9	-55.9	-178.1	147.8	0	0	113.4
689	E	30	Very low	29.5	Very low	194 Å²	194	138 Å²	138	91%	0.907	77%	0.77	S	S	*	*			cis	-138.5	-173.5	36.9	-62.5	172.1	139.9	0	0	110.2
690	A	27.9	Very low	29.4	Very low	82 Å²	82	143.4 Å²	143.4	68%	0.678	78%	0.775	S	S	*	*			cis	169.9	164.8	-40	0	0	0	0	0	106.2
691	M	32.2	Very low	29.4	Very low	184 Å²	184	144.1 Å²	144.1	91%	0.906	77%	0.774	S	S	*	*			trans	66.6	156.1	176.6	-49.5	-167.3	-174.6	0	0	117.8
692	N	31	Very low	29.7	Very low	135 Å²	135	144 Å²	144	72%	0.722	78%	0.778	S	S	*	*			cis	-179.1	140.3	-48.4	-124.3	-8.4	0	0	0	106.8
693	N	29.9	Very low	29.5	Very low	124 Å²	124	143.7 Å²	143.7	66%	0.663	78%	0.775	S	S	*	*			trans	41.4	118.8	141.8	-60	-9.4	0	0	0	119.5
694	N	31.5	Very low	29.8	Very low	142 Å²	142	143 Å²	143	76%	0.759	78%	0.778	S	S	*	*				-177.3	159.6	65.4	-99.8	-31.9	0	0	0	115.2
695	N	30.2	Very low	29.6	Very low	126 Å²	126	144.1 Å²	144.1	67%	0.674	77%	0.773	S	S	*	*			trans	65.7	152.4	144.2	-79.2	24.8	0	0	0	125.9
696	E	31.2	Very low	29.8	Very low	157 Å²	157	146.6 Å²	146.6	73%	0.734	78%	0.777	S	S	*	*			trans	76.9	71	145.3	-76.7	152.3	-124.2	0	0	121.6
697	S	28.7	Very low	29.7	Very low	98 Å²	98	149.1 Å²	149.1	69%	0.685	78%	0.781	S	S	*	*				53.8	133.1	110	65	0	0	0	0	122.8
698	S	28.5	Very low	29.9	Very low	107 Å²	107	156 Å²	156	75%	0.748	80%	0.795	S	S	*	*			trans	71.5	111.9	148.6	72.7	0	0	0	0	119.2
699	S	29.9	Very low	29.9	Very low	113 Å²	113	157.7 Å²	157.7	79%	0.79	80%	0.8	S	S	*	*				176.5	139.7	93.9	-77.4	0	0	0	0	111.7
700	Y	26	Very low	30	Very low	225 Å²	225	160.5 Å²	160.5	88%	0.882	80%	0.802	S	S	*	*			trans	-79.7	146.9	175.6	-50.7	-91.2	0	0	0	110.9
701	N	31.2	Very low	30	Very low	162 Å²	162	162 Å²	162	87%	0.866	81%	0.807	S	S	*	*			trans	-161.5	163.9	143.2	-109.1	-48.2	0	0	0	112.4
702	L	32.7	Very low	30	Very low	158 Å²	158	165.1 Å²	165.1	83%	0.827	81%	0.809	S	S	*	*			trans	-87.2	165	-159.5	-68.9	100.4	0	0	0	116.2
703	L	26.4	Very low	29.9	Very low	153 Å²	153	167.9 Å²	167.9	80%	0.801	82%	0.815	S	S	*	*			trans	-45	149.7	159.7	-95	87.5	0	0	0	112.5
704	P	32.7	Very low	29.9	Very low	117 Å²	117	173.3 Å²	173.3	76%	0.76	83%	0.826	S	S	*	*				-143.6	165.3	79.3	37.7	-20.1	0	0	0	117.9
705	S	26.9	Very low	29.7	Very low	104 Å²	104	178 Å²	178	73%	0.727	83%	0.833	S	S	*	*			trans	-55.8	127.5	-179.1	-57.9	0	0	0	0	115.4
706	Y	31.7	Very low	29.6	Very low	228 Å²	228	180.2 Å²	180.2	89%	0.894	84%	0.844	S	S	*	*			trans	-135	125.9	154.4	-101.6	-81.5	0	0	0	113.3	R708	Y706-R708 PolarHBondContact O-N 3.22Å
707	R	27.8	Very low	29.5	Very low	244 Å²	244	182.6 Å²	182.6	92%	0.921	85%	0.852	S	S	*	*			trans	-67.9	120.3	173.6	-74	172.8	166.7	172	-3.5	110.8
708	R	33.5	Very low	29.4	Very low	247 Å²	247	188.4 Å²	188.4	93%	0.932	87%	0.865	S	S	*	*			trans	-134.1	116	148.4	-77	-165.8	168.6	169.7	-1.9	111.9	Y706	Y706-R708 PolarHBondContact O-N 3.22Å
709	K	27.8	Very low	29.4	Very low	212 Å²	212	188.5 Å²	188.5	92%	0.922	87%	0.866	S	S	*	*			trans	-66.3	129	170	-64	174.9	178.8	176.2	0	108.9
710	R	32.8	Very low	29.3	Very low	252 Å²	252	191.9 Å²	191.9	95%	0.951	87%	0.871	S	S	*	*			trans	-141	118.2	153.3	-116.3	178.4	-179.5	-179	-0.2	110.4
711	S	27	Very low	29.6	Very low	113 Å²	113	189.2 Å²	189.2	79%	0.79	87%	0.871	S	S	*	*			trans	-76.9	132.7	178.3	176.8	0	0	0	0	110.5
712	R	32.9	Very low	29.5	Very low	251 Å²	251	188.8 Å²	188.8	95%	0.947	87%	0.868	S	S	*	*			trans	-151.3	110.7	153.2	-114	172.2	-176.5	-178.6	-0.6	110.5
713	K	28.1	Very low	29.4	Very low	192 Å²	192	183.3 Å²	183.3	84%	0.835	85%	0.85	S	S	*	*			trans	-64.3	135.9	169	-63.1	174.2	176.3	178.4	0	109.5
714	R	29.4	Very low	29.6	Very low	238 Å²	238	180.4 Å²	180.4	90%	0.898	84%	0.84	S	S	*	*				-178.8	143.1	122.2	-101.6	164.5	176.5	178.9	-1.5	113.9
715	R	29.3	Very low	29.4	Very low	240 Å²	240	180.3 Å²	180.3	91%	0.906	84%	0.84	S	S	*	*			trans	51.6	108.4	160.7	-72.7	-176.7	166.5	165.6	-4.6	118.6
716	L	26.3	Very low	29.7	Very low	174 Å²	174	181.9 Å²	181.9	91%	0.911	85%	0.845	S	S	*	*			trans	-60.5	146.2	149.2	-66.1	74.3	0	0	0	109.5
717	K	29.7	Very low	29.6	Very low	207 Å²	207	179.2 Å²	179.2	90%	0.9	83%	0.834	S	S	*	*			trans	-131.1	151.2	144	-124.8	-175.8	-180	-170.2	0	108
718	K	27.6	Very low	29.5	Very low	219 Å²	219	178.3 Å²	178.3	95%	0.952	83%	0.83	S	S	*	*			trans	-97.3	110.2	-161.2	-156.7	176.9	-173.9	-178.8	0	109.5
719	S	26.8	Very low	29.3	Very low	110 Å²	110	172.4 Å²	172.4	77%	0.769	82%	0.816	S	S	*	*			trans	-144.6	53.4	179.5	64.8	0	0	0	0	112.3
720	M	29	Very low	29.6	Very low	184 Å²	184	169.1 Å²	169.1	91%	0.906	81%	0.809	S	S	*	*			trans	-85.9	109.2	154.9	-78.1	-179.9	163.2	0	0	106.4	L722	M720-L722 PolarHBondContact O-N 2.94Å
721	L	30.9	Very low	29.4	Very low	168 Å²	168	163 Å²	163	88%	0.88	80%	0.795	S	S	*	*			trans	-70.6	128.8	179.4	-81	165.5	0	0	0	109.5
722	L	29.5	Very low	29.8	Very low	153 Å²	153	165 Å²	165	80%	0.801	80%	0.797	S	S	*	*			trans	-61.6	140.6	-172.5	-57.4	96.9	0	0	0	111.6	M720	M720-L722 PolarHBondContact O-N 2.94Å
723	G	30.9	Very low	29.8	Very low	44 Å²	44	161.4 Å²	161.4	45%	0.454	79%	0.791	S	S	.	*			trans	-73.3	-177.4	147.8	0	0	0	0	0	110.6
724	P	30.1	Very low	29.8	Very low	91 Å²	91	158.9 Å²	158.9	59%	0.591	79%	0.786	S	S	*	*	S	Bend	trans	-52.4	143.4	176.1	-25.6	35	0	0	0	111.9	T726	P724-T726 PolarHBondContact O-N 3.01Å
725	P	28.9	Very low	29.7	Very low	116 Å²	116	152.3 Å²	152.3	75%	0.753	78%	0.777	S	S	*	*			trans	-71.1	95.5	-169.9	28.5	-35.3	0	0	0	111.5	R727	P725-R727 PolarHBondContact O-N 3.2Å; P725-R727 VanDerWaalsContact O-N 3.15Å
726	T	33.7	Very low	29.7	Very low	137 Å²	137	149.4 Å²	149.4	84%	0.84	77%	0.774	S	S	*	*	P	Polyproline II helix	trans	-58.4	118.1	160.1	45	0	0	0	0	107.9	P724 R728	P724-T726 PolarHBondContact O-N 3.01Å; T726-R728 PolarHBondContact O-N 3.09Å
727	R	30.4	Very low	29.8	Very low	172 Å²	172	146.4 Å²	146.4	65%	0.649	76%	0.763	S	S	*	*	P	Polyproline II helix	trans	-55.5	132.3	-178.5	-71.2	-176.2	174.8	-164.8	0.1	109	P725 L729 S749 N750	P725-R727 PolarHBondContact O-N 3.2Å; P725-R727 VanDerWaalsContact O-N 3.15Å; R727-L729 PolarHBondContact O-N 3.29Å; R727-S749 PolarHBondContact NH1-OG 2.85Å; R727-S749 PolarHBondContact NH2-OG 2.97Å; R727-N750 PolarHBondContact NH1-OD1 3.14Å
728	R	25.6	Very low	29.6	Very low	225 Å²	225	143.9 Å²	143.9	85%	0.849	76%	0.759	S	S	*	*	P	Polyproline II helix	trans	-62.9	131.7	166.3	-62.7	-177.8	-166.7	152.3	7.4	107.7	T726	T726-R728 PolarHBondContact O-N 3.09Å
729	L	29.5	Very low	29.6	Very low	122 Å²	122	138 Å²	138	64%	0.639	75%	0.751	S	S	*	*			trans	-131	117.6	158.2	-70	175	0	0	0	104.7	R727 V752	R727-L729 PolarHBondContact O-N 3.29Å; L729-V752 HydrophobicContact CD1-CG1 4.12Å; L729-V752 HydrophobicContact CD1-CG2 4.1Å
730	D	32.5	Very low	29.4	Very low	143 Å²	143	137.4 Å²	137.4	77%	0.765	75%	0.746	S	S	*	*			trans	-77.3	172.7	179.1	-58.7	-79.2	0	0	0	109.9
731	D	29.4	Very low	29.4	Very low	125 Å²	125	136.1 Å²	136.1	67%	0.668	74%	0.738	S	S	*	*			trans	-94.8	115.6	-170.4	-73.3	-74.1	0	0	0	112.3	K811	D731-K811 IonicContact OD1-NZ 2.63Å; D731-K811 PolarHBondContact OD1-NZ 2.7Å; D731-K811 IonicContact OD2-NZ 2.68Å; D731-K811 PolarHBondContact OD2-NZ 3.19Å
732	D	35.5	Very low	29.2	Very low	154 Å²	154	135.1 Å²	135.1	82%	0.824	73%	0.728	S	S	*	*			trans	-150.7	123.8	162.5	-78.2	-54.8	0	0	0	106
733	E	32.4	Very low	29	Very low	176 Å²	176	135 Å²	135	82%	0.822	73%	0.728	S	S	*	*				80.5	144.1	69.6	-71.4	-73	113.3	0	0	113.8
734	D	27.5	Very low	28.8	Very low	138 Å²	138	136.6 Å²	136.6	74%	0.738	74%	0.737	S	S	*	*			trans	-85.6	164.8	-152	-72.8	-55.9	0	0	0	117.2
735	S	27.7	Very low	28.7	Very low	101 Å²	101	138.5 Å²	138.5	71%	0.706	75%	0.747	S	S	*	*			trans	89.7	146.6	148.6	-55	0	0	0	0	121.6
736	Q	29.5	Very low	28.6	Very low	179 Å²	179	140.6 Å²	140.6	84%	0.836	75%	0.752	S	S	*	*			trans	68.9	147.6	161.8	-61.8	159.1	38.5	0	0	117.9
737	T	28	Very low	28.2	Very low	110 Å²	110	137.8 Å²	137.8	68%	0.675	75%	0.75	S	S	*	*			cis	-164.7	144.7	-27.4	25.2	0	0	0	0	109.3
738	N	25.8	Very low	28	Very low	155 Å²	155	137.3 Å²	137.3	83%	0.829	76%	0.761	S	S	*	*			trans	55.8	158	145.2	-61.3	-9.7	0	0	0	123.7
739	A	28.1	Very low	28	Very low	94 Å²	94	129.4 Å²	129.4	78%	0.777	74%	0.74	S	S	*	*			trans	84.3	80.7	154.9	0	0	0	0	0	121.3
740	C	23	Very low	27.8	Very low	98 Å²	98	130.6 Å²	130.6	66%	0.662	75%	0.747	S	S	*	*				23.9	125.4	123.3	-159.7	0	0	0	0	120.3
741	H	28.2	Very low	27.5	Very low	158 Å²	158	126.8 Å²	126.8	73%	0.731	74%	0.741	S	S	*	*				-173.5	154	102.5	-105.2	-78.9	0	0	0	115.2
742	Q	26.6	Very low	27.5	Very low	147 Å²	147	126.3 Å²	126.3	69%	0.687	74%	0.743	S	S	*	*			trans	-57.2	137.6	-178.5	-52.7	135.8	-13.7	0	0	114.5
743	N	26.9	Very low	27.2	Very low	150 Å²	150	121.4 Å²	121.4	80%	0.802	72%	0.718	S	S	*	*				170	150.8	102.8	-91.1	-51.6	0	0	0	115.6
744	A	26.5	Very low	27.1	Very low	77 Å²	77	114.9 Å²	114.9	64%	0.636	70%	0.695	S	S	*	*			trans	19.3	126.1	152.8	0	0	0	0	0	122.8
745	T	27.1	Very low	27.8	Very low	131 Å²	131	112.8 Å²	112.8	80%	0.804	69%	0.69	S	S	*	*			trans	72.1	144	146.8	61.5	0	0	0	0	121.2
746	N	27.5	Very low	28.8	Very low	161 Å²	161	108.3 Å²	108.3	86%	0.861	66%	0.661	S	S	*	*			trans	63	63.3	157.8	-66.2	-6.8	0	0	0	120.2
747	G	25.2	Very low	30	Very low	77 Å²	77	101.4 Å²	101.4	79%	0.794	63%	0.632	S	S	*	*				82.1	-177.5	126.3	0	0	0	0	0	119.8
748	N	26.2	Very low	31.4	Very low	162 Å²	162	102.5 Å²	102.5	87%	0.866	63%	0.627	S	S	*	*			trans	64.7	111.5	-179.8	-143.5	17.2	0	0	0	117.9
749	S	26.1	Very low	33.6	Very low	59 Å²	59	96.4 Å²	96.4	41%	0.413	60%	0.599	S	S	.	*			trans	-41.1	140.4	178.1	57.7	0	0	0	0	117.6	R727	R727-S749 PolarHBondContact NH1-OG 2.85Å; R727-S749 PolarHBondContact NH2-OG 2.97Å
750	N	25.4	Very low	36.3	Very low	147 Å²	147	94.8 Å²	94.8	79%	0.786	58%	0.575	S	S	*	*				-169.4	125.7	104.7	-86.2	-23.3	0	0	0	112	R727	R727-N750 PolarHBondContact NH1-OD1 3.14Å
751	G	25.9	Very low	39.3	Very low	63 Å²	63	91 Å²	91	65%	0.649	55%	0.548	S	S	*	.	S	Bend	trans	-176	137.9	176	0	0	0	0	0	109.5	V753	G751-V753 PolarHBondContact O-N 3.01Å
752	V	27.7	Very low	42.2	Very low	115 Å²	115	83.5 Å²	83.5	70%	0.697	51%	0.513	S	S	*	.			trans	-75.9	112.5	-165.8	-176.2	0	0	0	0	111.4	L729	L729-V752 HydrophobicContact CD1-CG1 4.12Å; L729-V752 HydrophobicContact CD1-CG2 4.1Å
753	V	29.4	Very low	45.1	Very low	52 Å²	52	79 Å²	79	32%	0.315	49%	0.491	S	S	.	.			trans	-84.5	141.1	-176.2	-165.1	0	0	0	0	110.9	G751 S755 F758	G751-V753 PolarHBondContact O-N 3.01Å; V753-S755 VanDerWaalsContact C-N 3.25Å; V753-S755 PolarHBondContact O-N 3.03Å; V753-S755 PolarHBondContact O-OG 3.48Å; V753-F758 HydrophobicContact CB-CD2 4.44Å; V753-F758 HydrophobicContact CB-CE2 4.36Å; V753-F758 HydrophobicContact CG1-CD2 3.58Å; V753-F758 HydrophobicContact CG1-CE2 3.61Å; V753-F758 HydrophobicContact CG1-CG 4.5Å; V753-F758 HydrophobicContact CG2-CD2 4.03Å; V753-F758 HydrophobicContact CG2-CE2 3.72Å
754	A	31.1	Very low	48.1	Very low	39 Å²	39	73.7 Å²	73.7	32%	0.322	47%	0.465	S	S	.	.			trans	-72	85.5	156.1	0	0	0	0	0	108.4	G756 C757	A754-G756 PolarHBondContact O-N 3.43Å; A754-C757 PolarHBondContact O-N 3.16Å; A754-C757 PolarHBondContact O-SG 3.05Å
755	S	42.2	Very low	51.1	Low	93 Å²	93	70 Å²	70	65%	0.65	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.3	34.6	-159.6	-54.2	0	0	0	0	118.5	V753	V753-S755 VanDerWaalsContact C-N 3.25Å; V753-S755 PolarHBondContact O-N 3.03Å; V753-S755 PolarHBondContact O-OG 3.48Å
756	G	48.4	Very low	54	Low	8 Å²	8	66.7 Å²	66.7	8%	0.082	41%	0.412	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.1	-32.6	159.8	0	0	0	0	0	113.4	A754 F758 A759	A754-G756 PolarHBondContact O-N 3.43Å; G756-F758 VanDerWaalsContact C-N 3.28Å; G756-F758 PolarHBondContact O-N 3.16Å; G756-A759 WeakPolarHBondContact O-CB 3.11Å; G756-A759 PolarHBondContact O-N 3.17Å
757	C	54.9	Low	56.9	Low	34 Å²	34	60.7 Å²	60.7	23%	0.23	38%	0.379	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-20.3	-170	59.6	0	0	0	0	115.2	A754 N931 R932	A754-C757 PolarHBondContact O-N 3.16Å; A754-C757 PolarHBondContact O-SG 3.05Å; C757-N931 CarbonylContact O-C 3.47Å; C757-N931 WeakPolarHBondContact O-CA 3.29Å; C757-R932 PolarHBondContact O-N 3.02Å
758	F	56.9	Low	59.6	Low	132 Å²	132	62.4 Å²	62.4	58%	0.579	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.1	6.7	173.8	-63.9	-39.5	0	0	0	114.5	V753 G756 R932	V753-F758 HydrophobicContact CB-CD2 4.44Å; V753-F758 HydrophobicContact CB-CE2 4.36Å; V753-F758 HydrophobicContact CG1-CD2 3.58Å; V753-F758 HydrophobicContact CG1-CE2 3.61Å; V753-F758 HydrophobicContact CG1-CG 4.5Å; V753-F758 HydrophobicContact CG2-CD2 4.03Å; V753-F758 HydrophobicContact CG2-CE2 3.72Å; G756-F758 VanDerWaalsContact C-N 3.28Å; G756-F758 PolarHBondContact O-N 3.16Å; F758-R932 WeakPolarHBondContact O-CD 3.2Å; F758-R932 PolarHBondContact O-NE 3.09Å; F758-R932 VanDerWaalsContact O-NE 3.1Å
759	A	73	Confident	62.3	Low	28 Å²	28	58.8 Å²	58.8	23%	0.231	38%	0.377	C	S	.	.	S	Bend	trans	-73.9	157.4	165.8	0	0	0	0	0	110.6	G756 N931 R932	G756-A759 WeakPolarHBondContact O-CB 3.11Å; G756-A759 PolarHBondContact O-N 3.17Å; A759-N931 WeakPolarHBondContact O-CB 3.47Å; A759-R932 PolarHBondContact O-N 3.44Å
760	H	83.8	Confident	65.1	Low	60 Å²	60	61.8 Å²	61.8	28%	0.278	39%	0.385	S	S	.	.	P	Polyproline II helix	trans	-87.2	156.6	160.2	-69.9	-79.6	0	0	0	109.8	Y762 A781 R932 D933 H967	H760-Y762 PolarHBondContact O-N 2.87Å; H760-A781 HydrophobicContact CB-CB 4.01Å; H760-R932 WeakPolarHBondContact CE1-CD 3.2Å; H760-R932 VanDerWaalsContact NE2-CD 3.31Å; H760-R932 WeakPolarHBondContact NE2-CD 3.28Å; H760-R932 PolarHBondContact NE2-NH1 3.4Å; H760-D933 WeakPolarHBondContact CA-OD2 3.41Å; H760-D933 WeakPolarHBondContact CB-OD2 3.19Å; H760-D933 IonicContact CE1-OD1 3.19Å; H760-D933 IonicContact CG-OD1 3.75Å; H760-D933 IonicContact CG-OD2 3.68Å; H760-D933 IonicContact ND1-OD1 2.78Å; H760-D933 PolarHBondContact ND1-OD1 3.32Å; H760-D933 IonicContact ND1-OD2 2.72Å; H760-H967 PolarHBondContact O-CE1 3.24Å
761	H	86.8	Confident	68.2	Low	18 Å²	18	64.3 Å²	64.3	8%	0.083	38%	0.383	C	S	.	.	P	Polyproline II helix	trans	-60.2	135.4	-179.9	-172.9	110.4	0	0	0	111.1	H763 D933 F934	H761-H763 AromaticContact CD2-CE1 3.61Å; H761-H763 AromaticContact CD2-NE2 3.61Å; H761-H763 AromaticContact CG-CE1 3.96Å; H761-H763 PolarHBondContact O-CE1 3.19Å; H761-H763 PolarHBondContact O-N 3.27Å; H761-H763 PolarHBondContact O-ND1 3.35Å; H761-D933 PolarHBondContact N-OD2 3.11Å; H761-F934 HydrophobicContact CB-CD2 3.86Å; H761-F934 HydrophobicContact CB-CE2 3.67Å; H761-F934 AromaticContact CG-CD2 3.95Å; H761-F934 AromaticContact CG-CE2 3.64Å; H761-F934 AromaticContact ND1-CD2 3.51Å; H761-F934 AromaticContact ND1-CE2 3.47Å; H761-F934 WeakPolarHBondContact ND1-CE2 3.33Å
762	Y	89.2	Confident	71.3	Confident	0 Å²	0	61.5 Å²	61.5	0%	0	35%	0.353	C	S	.	.	P	Polyproline II helix	trans	-71.4	117.3	178.7	162.4	-98.4	0	0	0	111.5	R512 H760 P764 E786 F788 C789 G965	R512-Y762 PolarHBondContact NH1-O 3Å; H760-Y762 PolarHBondContact O-N 2.87Å; Y762-P764 HydrophobicContact CE1-CG 4.07Å; Y762-P764 VanDerWaalsContact OH-CA 3.28Å; Y762-P764 WeakPolarHBondContact OH-CA 3.17Å; Y762-P764 WeakPolarHBondContact OH-CB 3.22Å; Y762-P764 WeakPolarHBondContact OH-CG 3.43Å; Y762-E786 HydrophobicContact CD1-CG 3.97Å; Y762-E786 HydrophobicContact CD2-CG 3.73Å; Y762-E786 HydrophobicContact CE1-CB 4.02Å; Y762-E786 HydrophobicContact CE1-CG 3.69Å; Y762-E786 HydrophobicContact CE2-CB 3.95Å; Y762-E786 HydrophobicContact CE2-CG 3.43Å; Y762-E786 VanDerWaalsContact CE2-CG 3.43Å; Y762-E786 HydrophobicContact CG-CG 4Å; Y762-E786 WeakPolarHBondContact OH-CB 3.44Å; Y762-F788 HydrophobicContact CE1-CD2 4.14Å; Y762-C789 PolarHBondContact OH-SG 3.15Å; Y762-G965 WeakPolarHBondContact CD1-O 3.32Å
763	H	86.8	Confident	74.3	Confident	52 Å²	52	59 Å²	59	24%	0.241	34%	0.336	C	S	.	.			trans	-114.4	132.2	171.7	-61.4	93.7	0	0	0	109.4	Y523 H761 C765 C778	Y523-H763 AromaticContact CD2-CD2 3.66Å; Y523-H763 AromaticContact CD2-NE2 3.77Å; Y523-H763 AromaticContact CE2-CD2 3.38Å; Y523-H763 WeakPolarHBondContact CE2-CD2 3.38Å; Y523-H763 AromaticContact CE2-NE2 3.04Å; Y523-H763 WeakPolarHBondContact CE2-NE2 3.45Å; Y523-H763 AromaticContact CZ-CD2 3.71Å; Y523-H763 AromaticContact CZ-NE2 3.4Å; Y523-H763 PolarHBondContact OH-NE2 3.32Å; H761-H763 AromaticContact CD2-CE1 3.61Å; H761-H763 AromaticContact CD2-NE2 3.61Å; H761-H763 AromaticContact CG-CE1 3.96Å; H761-H763 PolarHBondContact O-CE1 3.19Å; H761-H763 PolarHBondContact O-N 3.27Å; H761-H763 PolarHBondContact O-ND1 3.35Å; H763-C765 PolarHBondContact O-N 2.77Å; H763-C778 PolarHBondContact O-SG 3.25Å; H763-C778 VanDerWaalsContact O-SG 3.4Å
764	P	89.9	Confident	77.2	Confident	39 Å²	39	62.1 Å²	62.1	25%	0.253	35%	0.351	S	S	.	.			trans	-60.3	126.9	176.3	-19.6	30.2	0	0	0	111.5	Y762 F788	Y762-P764 HydrophobicContact CE1-CG 4.07Å; Y762-P764 VanDerWaalsContact OH-CA 3.28Å; Y762-P764 WeakPolarHBondContact OH-CA 3.17Å; Y762-P764 WeakPolarHBondContact OH-CB 3.22Å; Y762-P764 WeakPolarHBondContact OH-CG 3.43Å; P764-F788 HydrophobicContact CB-CB 4.36Å; P764-F788 HydrophobicContact CG-CB 4.12Å
765	C	89.5	Confident	80	Confident	0 Å²	0	64.2 Å²	64.2	0%	0	36%	0.363	C	S	.	.			trans	-75	141.1	173.4	61.7	0	0	0	0	112	H763 C776 S777 C778 Q790	H763-C765 PolarHBondContact O-N 2.77Å; C765-C776 WeakPolarHBondContact CB-SG 3.28Å; C765-C776 VanDerWaalsContact SG-SG 3.68Å; C765-S777 WeakPolarHBondContact CB-OG 3.46Å; C765-C778 VanDerWaalsContact CB-SG 3.56Å; C765-C778 VanDerWaalsContact SG-SG 3.65Å; C765-Q790 PolarHBondContact O-N 3.44Å
766	D	88.5	Confident	82.4	Confident	61 Å²	61	59.9 Å²	59.9	33%	0.326	33%	0.333	S	S	.	.			trans	-141.5	107	177.6	-174.8	19.7	0	0	0	108.8	T526 S528	T526-D766 WeakPolarHBondContact CB-OD2 3.5Å; T526-D766 HydrophobicContact CG2-CB 4.45Å; T526-D766 PolarHBondContact OG1-OD2 3.31Å; S528-D766 WeakPolarHBondContact CB-OD1 3.33Å; S528-D766 PolarHBondContact OG-OD1 3.18Å; S528-D766 PolarHBondContact OG-OD2 3.22Å
767	H	87.6	Confident	84.3	Confident	36 Å²	36	62.2 Å²	62.2	17%	0.167	35%	0.348	C	S	.	.			trans	-150.1	74	-177.2	48.4	64.6	0	0	0	109.2	G769 Q770 R771 C772 C776	H767-G769 PolarHBondContact O-N 3.45Å; H767-Q770 HydrophobicContact CB-CB 4.28Å; H767-Q770 PolarHBondContact CE1-O 3.26Å; H767-Q770 PolarHBondContact ND1-O 2.94Å; H767-Q770 VanDerWaalsContact ND1-O 3.07Å; H767-Q770 PolarHBondContact O-N 2.99Å; H767-R771 PolarHBondContact CE1-O 3.29Å; H767-C772 PolarHBondContact CE1-SG 3.39Å; H767-C772 PolarHBondContact NE2-SG 3.42Å; H767-C776 PolarHBondContact NE2-SG 3.01Å
768	P	83.3	Confident	86.1	Confident	113 Å²	113	60.6 Å²	60.6	73%	0.734	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	132.7	-170.4	22.5	-33.4	0	0	0	112	Q770	P768-Q770 VanDerWaalsContact C-N 3.27Å; P768-Q770 PolarHBondContact O-N 3.04Å
769	G	81.5	Confident	87.6	Confident	85 Å²	85	58.8 Å²	58.8	88%	0.876	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.8	-22.6	-175.3	0	0	0	0	0	115	H767	H767-G769 PolarHBondContact O-N 3.45Å
770	Q	85.7	Confident	88.4	Confident	123 Å²	123	63.1 Å²	63.1	58%	0.575	35%	0.345	S	S	*	.			trans	-95.5	155.6	-179.7	-59.6	-61.6	-3.3	0	0	113.2	H767 P768	H767-Q770 HydrophobicContact CB-CB 4.28Å; H767-Q770 PolarHBondContact CE1-O 3.26Å; H767-Q770 PolarHBondContact ND1-O 2.94Å; H767-Q770 VanDerWaalsContact ND1-O 3.07Å; H767-Q770 PolarHBondContact O-N 2.99Å; P768-Q770 VanDerWaalsContact C-N 3.27Å; P768-Q770 PolarHBondContact O-N 3.04Å
771	R	90.2	Very high	88.5	Confident	200 Å²	200	61.3 Å²	61.3	76%	0.755	34%	0.34	S	S	*	.			trans	-87.6	162.7	172.4	-65	-175.3	179.1	-127.1	-0.4	110.2	H767 D773	H767-R771 PolarHBondContact CE1-O 3.29Å; R771-D773 PolarHBondContact O-N 3.41Å
772	C	91.9	Very high	88.5	Confident	4 Å²	4	63.3 Å²	63.3	3%	0.027	37%	0.365	C	S	.	.	S	Bend	trans	-76.4	77.5	169.6	-57.7	0	0	0	0	110.4	H767 C776 R779 C785 C791 C795 N797	H767-C772 PolarHBondContact CE1-SG 3.39Å; H767-C772 PolarHBondContact NE2-SG 3.42Å; C772-C776 HydrophobicContact CB-CB 4.02Å; C772-C776 VanDerWaalsContact SG-SG 3.62Å; C772-R779 VanDerWaalsContact O-CZ 3.22Å; C772-R779 PolarHBondContact O-NE 2.72Å; C772-R779 PolarHBondContact O-NH2 3.5Å; C772-C785 VanDerWaalsContact SG-SG 3.69Å; C772-C791 WeakPolarHBondContact SG-CB 3.39Å; C772-C795 VanDerWaalsContact CB-SG 3.55Å; C772-C795 PolarHBondContact SG-SG 3.35Å; C772-N797 HydrophobicContact CB-CB 4.44Å
773	D	90	Very high	88.5	Confident	62 Å²	62	63.9 Å²	63.9	33%	0.332	37%	0.369	S	S	.	.	S	Bend	trans	-87.2	-163.8	164.2	61.4	35.8	0	0	0	110.7	R771 S775 C776 R779	R771-D773 PolarHBondContact O-N 3.41Å; D773-S775 PolarHBondContact O-N 2.8Å; D773-S775 VanDerWaalsContact OD1-CB 3.3Å; D773-S775 WeakPolarHBondContact OD1-CB 3.37Å; D773-S775 PolarHBondContact OD1-N 2.94Å; D773-S775 PolarHBondContact OD1-OG 3.01Å; D773-C776 WeakPolarHBondContact O-CB 3.34Å; D773-C776 PolarHBondContact O-N 2.79Å; D773-C776 VanDerWaalsContact O-N 3.09Å; D773-R779 WeakPolarHBondContact O-CD 3.48Å; D773-R779 WeakPolarHBondContact O-CG 3.44Å; D773-R779 PolarHBondContact O-NE 3.27Å
774	D	89.2	Confident	88.7	Confident	117 Å²	117	65.1 Å²	65.1	63%	0.626	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.3	-4	-175.1	-53.6	-48.9	0	0	0	113.9	R779 I780	D774-R779 WeakPolarHBondContact OD1-CD 3.37Å; D774-R779 IonicContact OD1-CZ 3.43Å; D774-R779 IonicContact OD1-NE 2.88Å; D774-R779 IonicContact OD1-NH1 2.71Å; D774-R779 PolarHBondContact OD1-NH1 2.91Å; D774-R779 IonicContact OD2-NH1 2.8Å; D774-I780 VanDerWaalsContact O-CG1 3.31Å; D774-I780 WeakPolarHBondContact O-CG1 3.11Å
775	S	91.3	Very high	88.9	Confident	84 Å²	84	63.2 Å²	63.2	59%	0.587	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83	-12.6	165.5	74	0	0	0	0	113.3	D773 S777 I780	D773-S775 PolarHBondContact O-N 2.8Å; D773-S775 VanDerWaalsContact OD1-CB 3.3Å; D773-S775 WeakPolarHBondContact OD1-CB 3.37Å; D773-S775 PolarHBondContact OD1-N 2.94Å; D773-S775 PolarHBondContact OD1-OG 3.01Å; S775-S777 PolarHBondContact O-N 2.77Å; S775-I780 WeakPolarHBondContact O-CD1 3.47Å
776	C	91.6	Very high	89	Confident	1 Å²	1	63.3 Å²	63.3	1%	0.007	36%	0.362	C	S	.	.	S	Bend	trans	-69.8	128.3	-177.9	-177.4	0	0	0	0	111.6	C765 H767 C772 D773 C778 R779 I780	C765-C776 WeakPolarHBondContact CB-SG 3.28Å; C765-C776 VanDerWaalsContact SG-SG 3.68Å; H767-C776 PolarHBondContact NE2-SG 3.01Å; C772-C776 HydrophobicContact CB-CB 4.02Å; C772-C776 VanDerWaalsContact SG-SG 3.62Å; D773-C776 WeakPolarHBondContact O-CB 3.34Å; D773-C776 PolarHBondContact O-N 2.79Å; D773-C776 VanDerWaalsContact O-N 3.09Å; C776-C778 PolarHBondContact O-N 2.78Å; C776-C778 VanDerWaalsContact O-N 3.13Å; C776-R779 HydrophobicContact CB-CB 4.3Å; C776-R779 HydrophobicContact CB-CG 4.32Å; C776-R779 WeakPolarHBondContact O-CA 3.4Å; C776-R779 WeakPolarHBondContact O-CB 3.3Å; C776-R779 PolarHBondContact O-N 3.49Å; C776-I780 WeakPolarHBondContact O-CG1 3.24Å; C776-I780 PolarHBondContact O-N 3.48Å
777	S	89.6	Confident	89.1	Confident	57 Å²	57	62.3 Å²	62.3	40%	0.399	36%	0.355	S	S	.	.	H	α-helix	trans	-50.7	-39.8	177.5	55.6	0	0	0	0	113.4	C765 S775 I780 A781	C765-S777 WeakPolarHBondContact CB-OG 3.46Å; S775-S777 PolarHBondContact O-N 2.77Å; S777-I780 PolarHBondContact O-N 3.2Å; S777-A781 VanDerWaalsContact O-CB 3.24Å; S777-A781 WeakPolarHBondContact O-CB 3.36Å; S777-A781 PolarHBondContact O-N 2.97Å
778	C	91.1	Very high	89.1	Confident	1 Å²	1	61 Å²	61	1%	0.007	35%	0.349	C	S	.	.	H	α-helix	trans	-63.2	-43.2	175.8	-57.9	0	0	0	0	112.3	H763 C765 C776 A781 G782 T783	H763-C778 PolarHBondContact O-SG 3.25Å; H763-C778 VanDerWaalsContact O-SG 3.4Å; C765-C778 VanDerWaalsContact CB-SG 3.56Å; C765-C778 VanDerWaalsContact SG-SG 3.65Å; C776-C778 PolarHBondContact O-N 2.78Å; C776-C778 VanDerWaalsContact O-N 3.13Å; C778-A781 PolarHBondContact O-N 3.17Å; C778-G782 PolarHBondContact O-N 2.94Å; C778-T783 CarbonylContact C-O 3.39Å; C778-T783 WeakPolarHBondContact CA-OG1 3.44Å; C778-T783 PolarHBondContact O-N 2.8Å; C778-T783 PolarHBondContact O-OG1 3.03Å
779	R	90	Very high	89.4	Confident	94 Å²	94	55.8 Å²	55.8	36%	0.355	31%	0.314	S	S	.	.	H	α-helix	trans	-66	-46.1	177	-77.5	-145.3	-161.9	-174.4	2.3	111.8	C772 D773 D774 C776 A781 G782	C772-R779 VanDerWaalsContact O-CZ 3.22Å; C772-R779 PolarHBondContact O-NE 2.72Å; C772-R779 PolarHBondContact O-NH2 3.5Å; D773-R779 WeakPolarHBondContact O-CD 3.48Å; D773-R779 WeakPolarHBondContact O-CG 3.44Å; D773-R779 PolarHBondContact O-NE 3.27Å; D774-R779 WeakPolarHBondContact OD1-CD 3.37Å; D774-R779 IonicContact OD1-CZ 3.43Å; D774-R779 IonicContact OD1-NE 2.88Å; D774-R779 IonicContact OD1-NH1 2.71Å; D774-R779 PolarHBondContact OD1-NH1 2.91Å; D774-R779 IonicContact OD2-NH1 2.8Å; C776-R779 HydrophobicContact CB-CB 4.3Å; C776-R779 HydrophobicContact CB-CG 4.32Å; C776-R779 WeakPolarHBondContact O-CA 3.4Å; C776-R779 WeakPolarHBondContact O-CB 3.3Å; C776-R779 PolarHBondContact O-N 3.49Å; R779-A781 VanDerWaalsContact C-N 3.26Å; R779-A781 PolarHBondContact O-N 2.73Å; R779-G782 PolarHBondContact O-N 3.25Å
780	I	89.5	Confident	89.8	Confident	119 Å²	119	53.9 Å²	53.9	61%	0.61	28%	0.283	S	S	*	.	H	α-helix	trans	-58.2	-41.7	178.4	-64.1	168.8	0	0	0	110.3	D774 S775 C776 S777 G782	D774-I780 VanDerWaalsContact O-CG1 3.31Å; D774-I780 WeakPolarHBondContact O-CG1 3.11Å; S775-I780 WeakPolarHBondContact O-CD1 3.47Å; C776-I780 WeakPolarHBondContact O-CG1 3.24Å; C776-I780 PolarHBondContact O-N 3.48Å; S777-I780 PolarHBondContact O-N 3.2Å; I780-G782 PolarHBondContact O-N 3.06Å
781	A	86.2	Confident	89.9	Confident	21 Å²	21	48.4 Å²	48.4	17%	0.174	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-7.1	174.9	0	0	0	0	0	114.8	H760 S777 C778 R779 T783	H760-A781 HydrophobicContact CB-CB 4.01Å; S777-A781 VanDerWaalsContact O-CB 3.24Å; S777-A781 WeakPolarHBondContact O-CB 3.36Å; S777-A781 PolarHBondContact O-N 2.97Å; C778-A781 PolarHBondContact O-N 3.17Å; R779-A781 VanDerWaalsContact C-N 3.26Å; R779-A781 PolarHBondContact O-N 2.73Å; A781-T783 VanDerWaalsContact C-N 3.3Å; A781-T783 HydrophobicContact CB-CG2 4.03Å; A781-T783 PolarHBondContact O-N 2.96Å
782	G	85.7	Confident	89.8	Confident	60 Å²	60	42.1 Å²	42.1	62%	0.619	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	71.3	20.9	-174.1	0	0	0	0	0	114.4	C778 R779 I780	C778-G782 PolarHBondContact O-N 2.94Å; R779-G782 PolarHBondContact O-N 3.25Å; I780-G782 PolarHBondContact O-N 3.06Å
783	T	88.9	Confident	89.5	Confident	13 Å²	13	46.6 Å²	46.6	8%	0.08	27%	0.272	C	S	.	.			trans	-108.4	150.8	-172.7	61.7	0	0	0	0	112.9	C778 A781 N797	C778-T783 CarbonylContact C-O 3.39Å; C778-T783 WeakPolarHBondContact CA-OG1 3.44Å; C778-T783 PolarHBondContact O-N 2.8Å; C778-T783 PolarHBondContact O-OG1 3.03Å; A781-T783 VanDerWaalsContact C-N 3.3Å; A781-T783 HydrophobicContact CB-CG2 4.03Å; A781-T783 PolarHBondContact O-N 2.96Å; T783-N797 PolarHBondContact O-ND2 2.88Å
784	F	92.4	Very high	89.4	Confident	77 Å²	77	50.9 Å²	50.9	34%	0.338	30%	0.295	S	S	.	.			trans	-70	149.4	168.9	-65.6	-75	0	0	0	110.8	N797 F799	F784-N797 CarbonylContact C-O 3.57Å; F784-N797 WeakPolarHBondContact CA-O 3.39Å; F784-F799 HydrophobicContact CB-CB 4.09Å; F784-F799 HydrophobicContact CD2-CD2 4.39Å; F784-F799 HydrophobicContact CG-CB 4.39Å; F784-F799 HydrophobicContact CG-CD2 4.44Å
785	C	93	Very high	89.5	Confident	0 Å²	0	45.8 Å²	45.8	0%	0	27%	0.268	C	S	.	.	B	Isolated β-bridge	trans	-72.5	127.8	166.4	-63.8	0	0	0	0	109.5	C772 C789 N797 R798 F799	C772-C785 VanDerWaalsContact SG-SG 3.69Å; C785-C789 VanDerWaalsContact CA-SG 3.59Å; C785-C789 HydrophobicContact CB-CB 3.99Å; C785-N797 PolarHBondContact N-ND2 3.02Å; C785-N797 PolarHBondContact N-O 3.15Å; C785-N797 PolarHBondContact SG-ND2 3.39Å; C785-R798 HydrophobicContact CB-CB 4.31Å; C785-R798 HydrophobicContact CB-CG 4.05Å; C785-R798 VanDerWaalsContact O-CA 3.27Å; C785-R798 WeakPolarHBondContact O-CA 3.28Å; C785-R798 VanDerWaalsContact O-CG 3.29Å; C785-R798 WeakPolarHBondContact O-CG 3.16Å; C785-F799 PolarHBondContact O-N 2.67Å
786	E	92.1	Very high	89.6	Confident	1 Å²	1	47.1 Å²	47.1	1%	0.005	28%	0.275	C	S	.	.			trans	-94.3	178.4	-179.9	-54	-62.1	164.8	0	0	111.8	Y762 F788 C789 R798 R820	Y762-E786 HydrophobicContact CD1-CG 3.97Å; Y762-E786 HydrophobicContact CD2-CG 3.73Å; Y762-E786 HydrophobicContact CE1-CB 4.02Å; Y762-E786 HydrophobicContact CE1-CG 3.69Å; Y762-E786 HydrophobicContact CE2-CB 3.95Å; Y762-E786 HydrophobicContact CE2-CG 3.43Å; Y762-E786 VanDerWaalsContact CE2-CG 3.43Å; Y762-E786 HydrophobicContact CG-CG 4Å; Y762-E786 WeakPolarHBondContact OH-CB 3.44Å; E786-F788 HydrophobicContact CB-CD2 4Å; E786-F788 PolarHBondContact O-N 2.65Å; E786-C789 PolarHBondContact N-SG 3.37Å; E786-C789 VanDerWaalsContact N-SG 3.4Å; E786-C789 WeakPolarHBondContact O-CB 3.33Å; E786-C789 PolarHBondContact O-N 3.13Å; E786-C789 VanDerWaalsContact O-N 3.08Å; E786-R798 PolarHBondContact O-NH2 3.37Å; E786-R820 IonicContact OE1-CZ 3.2Å; E786-R820 IonicContact OE1-NH1 3.6Å; E786-R820 PolarHBondContact OE1-NH1 2.81Å; E786-R820 IonicContact OE1-NH2 2.8Å; E786-R820 PolarHBondContact OE1-NH2 3.47Å; E786-R820 IonicContact OE2-CZ 3.82Å; E786-R820 IonicContact OE2-NH1 3.75Å; E786-R820 IonicContact OE2-NH2 3.78Å; E786-R820 PolarHBondContact OE2-NH2 3.49Å
787	K	89.3	Confident	89.6	Confident	41 Å²	41	48 Å²	48	18%	0.178	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.3	-26.8	174	59.2	-172.7	168.1	-165.4	0	114.6	R798 D823 D825 N964	K787-R798 PolarHBondContact O-NH2 3.03Å; K787-D823 WeakPolarHBondContact CD-OD2 3.42Å; K787-D823 WeakPolarHBondContact CE-OD2 3.2Å; K787-D823 IonicContact NZ-OD1 3.16Å; K787-D823 PolarHBondContact NZ-OD1 2.87Å; K787-D823 IonicContact NZ-OD2 2.57Å; K787-D823 PolarHBondContact NZ-OD2 2.94Å; K787-D825 HydrophobicContact CD-CB 4.15Å; K787-D825 VanDerWaalsContact CD-OD2 3.31Å; K787-D825 WeakPolarHBondContact CD-OD2 3.3Å; K787-D825 WeakPolarHBondContact CE-OD2 3.35Å; K787-D825 IonicContact NZ-OD2 3.91Å; K787-D825 PolarHBondContact NZ-OD2 3.24Å; K787-N964 PolarHBondContact NZ-OD1 2.84Å
788	F	89.3	Confident	89.8	Confident	9 Å²	9	47.6 Å²	47.6	4%	0.039	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84	-16.9	-179.3	-40.4	-77.1	0	0	0	114.7	R512 Y762 P764 E786 Q790 N964	R512-F788 HydrophobicContact CB-CE1 4.32Å; R512-F788 HydrophobicContact CB-CZ 4.39Å; R512-F788 HydrophobicContact CG-CD1 4.15Å; R512-F788 HydrophobicContact CG-CD2 4.22Å; R512-F788 HydrophobicContact CG-CE1 4.34Å; R512-F788 HydrophobicContact CG-CE2 4.4Å; R512-F788 HydrophobicContact CG-CG 4.08Å; R512-F788 HydrophobicContact CG-CZ 4.44Å; Y762-F788 HydrophobicContact CE1-CD2 4.14Å; P764-F788 HydrophobicContact CB-CB 4.36Å; P764-F788 HydrophobicContact CG-CB 4.12Å; E786-F788 HydrophobicContact CB-CD2 4Å; E786-F788 PolarHBondContact O-N 2.65Å; F788-Q790 PolarHBondContact O-NE2 2.78Å; F788-N964 VanDerWaalsContact CE2-O 3.23Å; F788-N964 WeakPolarHBondContact CE2-O 3.44Å
789	C	89.9	Confident	90	Very high	2 Å²	2	48.5 Å²	48.5	1%	0.014	27%	0.273	C	S	.	.			trans	-63.5	136.8	176.4	-71.9	0	0	0	0	111.1	Y762 C785 E786 C791 R798	Y762-C789 PolarHBondContact OH-SG 3.15Å; C785-C789 VanDerWaalsContact CA-SG 3.59Å; C785-C789 HydrophobicContact CB-CB 3.99Å; E786-C789 PolarHBondContact N-SG 3.37Å; E786-C789 VanDerWaalsContact N-SG 3.4Å; E786-C789 WeakPolarHBondContact O-CB 3.33Å; E786-C789 PolarHBondContact O-N 3.13Å; E786-C789 VanDerWaalsContact O-N 3.08Å; C789-C791 VanDerWaalsContact CB-SG 3.56Å; C789-C791 PolarHBondContact O-N 3.46Å; C789-R798 PolarHBondContact O-NH2 2.84Å
790	Q	88.5	Confident	90.1	Very high	45 Å²	45	51 Å²	51	21%	0.21	29%	0.293	C	S	.	.			trans	-85.1	6.3	-178	-59.8	-57.6	-49.6	0	0	113.3	M529 H532 C765 F788	M529-Q790 HydrophobicContact CG-CG 3.92Å; H532-Q790 PolarHBondContact CE1-OE1 2.84Å; H532-Q790 PolarHBondContact NE2-OE1 3.35Å; C765-Q790 PolarHBondContact O-N 3.44Å; F788-Q790 PolarHBondContact O-NE2 2.78Å
791	C	89.1	Confident	90.2	Very high	9 Å²	9	45.9 Å²	45.9	6%	0.061	27%	0.269	C	S	.	.	S	Bend	trans	-64.3	157.2	167.3	66.3	0	0	0	0	112.2	C772 C789 C795	C772-C791 WeakPolarHBondContact SG-CB 3.39Å; C789-C791 VanDerWaalsContact CB-SG 3.56Å; C789-C791 PolarHBondContact O-N 3.46Å; C791-C795 HydrophobicContact CB-CB 4.16Å
792	P	87.3	Confident	90.6	Very high	67 Å²	67	45 Å²	45	44%	0.435	26%	0.262	S	S	.	.			trans	-53.1	151.9	176.5	-27.5	35.7	0	0	0	113.3	D794 C795	P792-D794 PolarHBondContact O-N 2.87Å; P792-C795 WeakPolarHBondContact O-CB 3.36Å; P792-C795 PolarHBondContact O-N 3.42Å
793	P	85.2	Confident	90.9	Very high	99 Å²	99	53.6 Å²	53.6	64%	0.643	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-35.4	178	24.9	-34	0	0	0	112.1	C795	P793-C795 PolarHBondContact O-N 3.1Å; P793-C795 VanDerWaalsContact O-N 3.17Å
794	D	88.4	Confident	91.1	Very high	151 Å²	151	54.3 Å²	54.3	81%	0.807	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.8	19.9	176.3	-49.6	-64.1	0	0	0	113.7	P792	P792-D794 PolarHBondContact O-N 2.87Å
795	C	92.2	Very high	90.8	Very high	10 Å²	10	61.8 Å²	61.8	7%	0.068	31%	0.307	C	S	.	.			trans	-63.1	126.7	177.2	171.2	0	0	0	0	110.9	C772 C791 P792 P793 N797 R798	C772-C795 VanDerWaalsContact CB-SG 3.55Å; C772-C795 PolarHBondContact SG-SG 3.35Å; C791-C795 HydrophobicContact CB-CB 4.16Å; P792-C795 WeakPolarHBondContact O-CB 3.36Å; P792-C795 PolarHBondContact O-N 3.42Å; P793-C795 PolarHBondContact O-N 3.1Å; P793-C795 VanDerWaalsContact O-N 3.17Å; C795-N797 PolarHBondContact O-N 2.98Å; C795-N797 PolarHBondContact SG-N 2.85Å; C795-R798 HydrophobicContact CB-CB 4.11Å; C795-R798 VanDerWaalsContact O-CB 3.23Å; C795-R798 WeakPolarHBondContact O-CB 3.47Å; C795-R798 PolarHBondContact O-N 3.48Å
796	P	91.6	Very high	90.5	Very high	113 Å²	113	62.3 Å²	62.3	73%	0.734	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.9	-18.1	-176.5	28.4	-36	0	0	0	113.7	R798	P796-R798 VanDerWaalsContact C-N 3.34Å
797	N	92.9	Very high	90.2	Very high	19 Å²	19	68.6 Å²	68.6	10%	0.102	34%	0.342	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88	0.5	174.5	-164.2	53.8	0	0	0	112.8	C772 T783 F784 C785 C795	C772-N797 HydrophobicContact CB-CB 4.44Å; T783-N797 PolarHBondContact O-ND2 2.88Å; F784-N797 CarbonylContact C-O 3.57Å; F784-N797 WeakPolarHBondContact CA-O 3.39Å; C785-N797 PolarHBondContact N-ND2 3.02Å; C785-N797 PolarHBondContact N-O 3.15Å; C785-N797 PolarHBondContact SG-ND2 3.39Å; C795-N797 PolarHBondContact O-N 2.98Å; C795-N797 PolarHBondContact SG-N 2.85Å
798	R	94	Very high	90.3	Very high	49 Å²	49	66.7 Å²	66.7	19%	0.185	33%	0.334	C	S	.	.	B	Isolated β-bridge	trans	-82	131.6	-172.9	-142.6	171.9	-151.5	-99	0.6	111.4	C785 E786 K787 C789 C795 P796 L800	C785-R798 HydrophobicContact CB-CB 4.31Å; C785-R798 HydrophobicContact CB-CG 4.05Å; C785-R798 VanDerWaalsContact O-CA 3.27Å; C785-R798 WeakPolarHBondContact O-CA 3.28Å; C785-R798 VanDerWaalsContact O-CG 3.29Å; C785-R798 WeakPolarHBondContact O-CG 3.16Å; E786-R798 PolarHBondContact O-NH2 3.37Å; K787-R798 PolarHBondContact O-NH2 3.03Å; C789-R798 PolarHBondContact O-NH2 2.84Å; C795-R798 HydrophobicContact CB-CB 4.11Å; C795-R798 VanDerWaalsContact O-CB 3.23Å; C795-R798 WeakPolarHBondContact O-CB 3.47Å; C795-R798 PolarHBondContact O-N 3.48Å; P796-R798 VanDerWaalsContact C-N 3.34Å; R798-L800 PolarHBondContact O-N 3.25Å
799	F	93.7	Very high	90.3	Very high	20 Å²	20	70.4 Å²	70.4	9%	0.088	35%	0.354	C	S	.	.			trans	-70.2	127.1	176.6	-169.2	-105.1	0	0	0	110.3	F784 C785 C815 A818 L826	F784-F799 HydrophobicContact CB-CB 4.09Å; F784-F799 HydrophobicContact CD2-CD2 4.39Å; F784-F799 HydrophobicContact CG-CB 4.39Å; F784-F799 HydrophobicContact CG-CD2 4.44Å; C785-F799 PolarHBondContact O-N 2.67Å; F799-C815 HydrophobicContact CZ-CB 4.45Å; F799-A818 HydrophobicContact CE2-CB 4.08Å; F799-L826 HydrophobicContact CD1-CD1 4.48Å; F799-L826 WeakPolarHBondContact O-CD1 3.48Å
800	L	92.1	Very high	90.3	Very high	146 Å²	146	73.5 Å²	73.5	76%	0.764	37%	0.373	S	S	*	.			trans	-93.5	-1.6	-170.7	-60.2	179.2	0	0	0	114.7	R798	R798-L800 PolarHBondContact O-N 3.25Å
801	G	92.2	Very high	90.4	Very high	11 Å²	11	77.1 Å²	77.1	11%	0.113	39%	0.388	C	S	.	.			trans	71.3	-171.3	-171.5	0	0	0	0	0	113.7
802	C	93.9	Very high	90.6	Very high	3 Å²	3	84.2 Å²	84.2	2%	0.02	42%	0.424	C	S	.	.			trans	-110.7	150.1	177.7	72.8	0	0	0	0	112.8	P814 C827 C830	C802-P814 HydrophobicContact CB-CG 4.42Å; C802-C827 PolarHBondContact N-SG 2.74Å; C802-C827 VanDerWaalsContact N-SG 3.4Å; C802-C830 VanDerWaalsContact SG-SG 3.67Å
803	R	92.7	Very high	90.9	Very high	241 Å²	241	81.1 Å²	81.1	91%	0.909	40%	0.404	S	S	*	.			trans	-106.9	30.4	172.8	-61.4	-173.3	-178.6	-169.8	0.2	112.5	S829	R803-S829 VanDerWaalsContact CA-OG 3.32Å; R803-S829 WeakPolarHBondContact CA-OG 3.42Å
804	C	92.6	Very high	91.3	Very high	27 Å²	27	79.3 Å²	79.3	18%	0.182	39%	0.393	C	S	.	.			trans	-69.7	157.7	178	-61.4	0	0	0	0	110.9	C808 S829 C830	C804-C808 WeakPolarHBondContact CB-SG 3.27Å; C804-S829 CarbonylContact O-C 3.58Å; C804-S829 VanDerWaalsContact O-O 3.09Å; C804-S829 PolarHBondContact O-OG 2.89Å; C804-C830 HydrophobicContact CB-CB 3.98Å; C804-C830 WeakPolarHBondContact O-CA 3.24Å; C804-C830 VanDerWaalsContact O-CB 3.3Å; C804-C830 WeakPolarHBondContact O-CB 3.25Å; C804-C830 PolarHBondContact O-N 3.22Å
805	R	88	Confident	91.6	Very high	234 Å²	234	72.1 Å²	72.1	88%	0.883	35%	0.354	S	S	*	.	S	Bend	trans	-90.1	1.7	178.6	-65.8	-176.1	178.3	177	-0.7	114.3	G860	R805-G860 WeakPolarHBondContact O-CA 3.33Å
806	G	85.8	Confident	91.7	Very high	12 Å²	12	73 Å²	73	12%	0.124	36%	0.359	C	S	.	.	S	Bend	trans	141.9	-172.6	-168.8	0	0	0	0	0	110.2	C808 G860	G806-C808 VanDerWaalsContact C-N 3.3Å; G806-C808 PolarHBondContact O-N 2.83Å; G806-C808 VanDerWaalsContact O-N 3.08Å; G806-C808 PolarHBondContact O-SG 3.17Å; G806-G860 WeakPolarHBondContact CA-O 3.35Å
807	Q	85.2	Confident	91.8	Very high	132 Å²	132	73.3 Å²	73.3	62%	0.617	35%	0.354	S	S	*	.			trans	44.5	48.9	166.6	-62.9	-177.3	-9.5	0	0	114.5	N809 T861	Q807-N809 PolarHBondContact O-N 3.32Å; Q807-N809 PolarHBondContact O-OD1 3.22Å; Q807-T861 PolarHBondContact N-O 3.01Å
808	C	91.7	Very high	91.7	Very high	1 Å²	1	74.2 Å²	74.2	1%	0.007	36%	0.364	C	S	.	.			trans	-77	51.3	-177.1	-62.2	0	0	0	0	113.1	C804 G806 C813 V816 C830 N864	C804-C808 WeakPolarHBondContact CB-SG 3.27Å; G806-C808 VanDerWaalsContact C-N 3.3Å; G806-C808 PolarHBondContact O-N 2.83Å; G806-C808 VanDerWaalsContact O-N 3.08Å; G806-C808 PolarHBondContact O-SG 3.17Å; C808-C813 HydrophobicContact CB-CB 4.13Å; C808-V816 WeakPolarHBondContact O-CG2 3.32Å; C808-C830 VanDerWaalsContact SG-CB 3.52Å; C808-N864 HydrophobicContact CB-CB 4.06Å; C808-N864 WeakPolarHBondContact O-CB 3.44Å
809	N	89.5	Confident	91.6	Very high	88 Å²	88	73.7 Å²	73.7	47%	0.471	37%	0.366	S	S	.	.			trans	-112.3	10.6	-179	65.8	-29.3	0	0	0	114.1	Q807 R863	Q807-N809 PolarHBondContact O-N 3.32Å; Q807-N809 PolarHBondContact O-OD1 3.22Å; N809-R863 HydrophobicContact CB-CB 4.27Å
810	T	90.6	Very high	91.6	Very high	66 Å²	66	73.3 Å²	73.3	41%	0.405	36%	0.364	S	S	.	.	S	Bend	trans	-119.6	160.4	-178	59.5	0	0	0	0	112.2	L812 C813 V816	T810-L812 PolarHBondContact O-N 2.79Å; T810-C813 PolarHBondContact O-N 3.49Å; T810-V816 WeakPolarHBondContact O-CB 3.31Å
811	K	90.7	Very high	91.7	Very high	122 Å²	122	66.8 Å²	66.8	53%	0.53	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.3	-16	174.2	-63.7	-173.3	-173	-179.7	0	113.7	D731 C813	D731-K811 IonicContact OD1-NZ 2.63Å; D731-K811 PolarHBondContact OD1-NZ 2.7Å; D731-K811 IonicContact OD2-NZ 2.68Å; D731-K811 PolarHBondContact OD2-NZ 3.19Å; K811-C813 VanDerWaalsContact C-N 3.26Å; K811-C813 PolarHBondContact O-N 2.83Å
812	L	91.7	Very high	91.8	Very high	158 Å²	158	66.3 Å²	66.3	83%	0.827	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.9	-19.1	174.4	-59.8	175.9	0	0	0	113.6	T810	T810-L812 PolarHBondContact O-N 2.79Å
813	C	94.6	Very high	91.8	Very high	2 Å²	2	66.2 Å²	66.2	1%	0.014	32%	0.324	C	S	.	.	S	Bend	trans	-88.3	123.4	175.8	-178.1	0	0	0	0	110.6	C808 T810 K811 C815 V816 L817	C808-C813 HydrophobicContact CB-CB 4.13Å; T810-C813 PolarHBondContact O-N 3.49Å; K811-C813 VanDerWaalsContact C-N 3.26Å; K811-C813 PolarHBondContact O-N 2.83Å; C813-C815 PolarHBondContact O-N 2.95Å; C813-C815 VanDerWaalsContact O-N 3.14Å; C813-V816 HydrophobicContact CB-CB 4.15Å; C813-V816 HydrophobicContact CB-CG2 3.84Å; C813-V816 PolarHBondContact O-N 2.81Å; C813-V816 VanDerWaalsContact O-N 3.14Å; C813-L817 WeakPolarHBondContact O-CB 3.46Å; C813-L817 PolarHBondContact O-N 2.94Å
814	P	94	Very high	91.8	Very high	61 Å²	61	56.3 Å²	56.3	40%	0.396	29%	0.291	S	S	.	.	H	α-helix	trans	-54.1	-32.1	175.9	-29.5	36	0	0	0	114.7	C802 A818	C802-P814 HydrophobicContact CB-CG 4.42Å; P814-A818 VanDerWaalsContact O-CB 3.25Å; P814-A818 WeakPolarHBondContact O-CB 3.43Å; P814-A818 PolarHBondContact O-N 3.2Å
815	C	94.9	Very high	91.8	Very high	0 Å²	0	59.2 Å²	59.2	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-68.3	-49.7	177.1	-52.9	0	0	0	0	111.3	F799 C813 L817 A818 V819 R820 C827	F799-C815 HydrophobicContact CZ-CB 4.45Å; C813-C815 PolarHBondContact O-N 2.95Å; C813-C815 VanDerWaalsContact O-N 3.14Å; C815-L817 VanDerWaalsContact C-N 3.34Å; C815-L817 PolarHBondContact O-N 2.81Å; C815-A818 CarbonylContact O-C 3.5Å; C815-A818 PolarHBondContact O-N 2.86Å; C815-V819 PolarHBondContact O-N 2.83Å; C815-R820 CarbonylContact C-O 3.58Å; C815-R820 VanDerWaalsContact C-O 3.27Å; C815-R820 HydrophobicContact CB-CB 4.46Å; C815-R820 WeakPolarHBondContact CB-O 3.23Å; C815-R820 WeakPolarHBondContact O-CA 3.04Å; C815-R820 WeakPolarHBondContact O-CB 3.38Å; C815-R820 PolarHBondContact O-N 2.74Å; C815-R820 VanDerWaalsContact O-O 3.14Å; C815-C827 VanDerWaalsContact SG-SG 3.65Å
816	V	93.4	Very high	91.9	Very high	29 Å²	29	50.4 Å²	50.4	18%	0.176	28%	0.275	C	S	.	.	H	α-helix	trans	-61.3	-43.8	177.2	179.7	0	0	0	0	111.2	C808 T810 C813 A818 V819 N864	C808-V816 WeakPolarHBondContact O-CG2 3.32Å; T810-V816 WeakPolarHBondContact O-CB 3.31Å; C813-V816 HydrophobicContact CB-CB 4.15Å; C813-V816 HydrophobicContact CB-CG2 3.84Å; C813-V816 PolarHBondContact O-N 2.81Å; C813-V816 VanDerWaalsContact O-N 3.14Å; V816-A818 VanDerWaalsContact C-N 3.28Å; V816-A818 PolarHBondContact O-N 2.8Å; V816-V819 PolarHBondContact O-N 3Å; V816-N864 HydrophobicContact CG2-CB 4.45Å
817	L	92.9	Very high	92.3	Very high	119 Å²	119	49.9 Å²	49.9	62%	0.623	27%	0.269	S	S	*	.	H	α-helix	trans	-62.1	-35.2	178.6	-174.8	63.9	0	0	0	112.3	C813 C815 V819	C813-L817 WeakPolarHBondContact O-CB 3.46Å; C813-L817 PolarHBondContact O-N 2.94Å; C815-L817 VanDerWaalsContact C-N 3.34Å; C815-L817 PolarHBondContact O-N 2.81Å; L817-V819 VanDerWaalsContact C-N 3.3Å
818	A	90.9	Very high	92.5	Very high	38 Å²	38	48.9 Å²	48.9	31%	0.314	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.7	6.1	174.9	0	0	0	0	0	114	F799 P814 C815 V816 R820	F799-A818 HydrophobicContact CE2-CB 4.08Å; P814-A818 VanDerWaalsContact O-CB 3.25Å; P814-A818 WeakPolarHBondContact O-CB 3.43Å; P814-A818 PolarHBondContact O-N 3.2Å; C815-A818 CarbonylContact O-C 3.5Å; C815-A818 PolarHBondContact O-N 2.86Å; V816-A818 VanDerWaalsContact C-N 3.28Å; V816-A818 PolarHBondContact O-N 2.8Å; A818-R820 HydrophobicContact CB-CG 3.82Å; A818-R820 VanDerWaalsContact O-CG 3.26Å; A818-R820 WeakPolarHBondContact O-CG 3.23Å
819	V	92.4	Very high	92.3	Very high	37 Å²	37	52 Å²	52	22%	0.224	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	60.9	49.7	-177.3	-168.1	0	0	0	0	112.4	C815 V816 L817 V960 I961 M962	C815-V819 PolarHBondContact O-N 2.83Å; V816-V819 PolarHBondContact O-N 3Å; L817-V819 VanDerWaalsContact C-N 3.3Å; V819-V960 VanDerWaalsContact CG1-O 3.29Å; V819-V960 WeakPolarHBondContact CG1-O 3.48Å; V819-I961 HydrophobicContact CG1-CG1 4.34Å; V819-M962 PolarHBondContact O-N 2.94Å; V819-M962 VanDerWaalsContact O-N 3.07Å
820	R	94.1	Very high	92.4	Very high	12 Å²	12	47.8 Å²	47.8	5%	0.045	27%	0.267	C	S	.	.	B	Isolated β-bridge	trans	-135.6	149.2	-175.2	-43.5	-176	52.7	111	-0.2	113	E786 C815 A818 N864 M962	E786-R820 IonicContact OE1-CZ 3.2Å; E786-R820 IonicContact OE1-NH1 3.6Å; E786-R820 PolarHBondContact OE1-NH1 2.81Å; E786-R820 IonicContact OE1-NH2 2.8Å; E786-R820 PolarHBondContact OE1-NH2 3.47Å; E786-R820 IonicContact OE2-CZ 3.82Å; E786-R820 IonicContact OE2-NH1 3.75Å; E786-R820 IonicContact OE2-NH2 3.78Å; E786-R820 PolarHBondContact OE2-NH2 3.49Å; C815-R820 CarbonylContact C-O 3.58Å; C815-R820 VanDerWaalsContact C-O 3.27Å; C815-R820 HydrophobicContact CB-CB 4.46Å; C815-R820 WeakPolarHBondContact CB-O 3.23Å; C815-R820 WeakPolarHBondContact O-CA 3.04Å; C815-R820 WeakPolarHBondContact O-CB 3.38Å; C815-R820 PolarHBondContact O-N 2.74Å; C815-R820 VanDerWaalsContact O-O 3.14Å; A818-R820 HydrophobicContact CB-CG 3.82Å; A818-R820 VanDerWaalsContact O-CG 3.26Å; A818-R820 WeakPolarHBondContact O-CG 3.23Å; R820-N864 PolarHBondContact O-ND2 2.99Å; R820-N864 PolarHBondContact O-OD1 3.05Å; R820-M962 VanDerWaalsContact CA-O 3.28Å; R820-M962 WeakPolarHBondContact CA-O 3.32Å; R820-M962 HydrophobicContact CG-CB 4.19Å
821	E	94.1	Very high	92.2	Very high	10 Å²	10	45.2 Å²	45.2	5%	0.047	25%	0.253	C	S	.	.			trans	-71.7	160.1	161.7	-73.5	-148.9	141.3	0	0	112	D823 N864 V865 A866 I867 Q868 I961 M962 V963	E821-D823 PolarHBondContact O-N 2.98Å; E821-N864 WeakPolarHBondContact CA-ND2 3.25Å; E821-V865 VanDerWaalsContact OE1-C 3.24Å; E821-V865 WeakPolarHBondContact OE1-CA 3.29Å; E821-V865 PolarHBondContact OE1-N 2.94Å; E821-V865 WeakPolarHBondContact OE2-CA 3.28Å; E821-A866 PolarHBondContact OE1-N 3.29Å; E821-I867 PolarHBondContact OE1-N 2.88Å; E821-I867 PolarHBondContact OE2-N 3.48Å; E821-Q868 WeakPolarHBondContact OE2-CB 3.44Å; E821-Q868 WeakPolarHBondContact OE2-CG 3.37Å; E821-Q868 PolarHBondContact OE2-N 2.59Å; E821-I961 HydrophobicContact CG-CG2 4.12Å; E821-M962 PolarHBondContact N-O 2.88Å; E821-M962 VanDerWaalsContact N-O 3.08Å; E821-V963 HydrophobicContact CB-CG1 4.4Å; E821-V963 HydrophobicContact CB-CG2 4.28Å; E821-V963 HydrophobicContact CG-CG2 3.99Å
822	C	94.9	Very high	92.1	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	23%	0.228	C	C	.	.			trans	-77.2	102.9	176.6	-70.1	0	0	0	0	110.6	C827 A832 C862 N864 V865 Q868	C822-C827 HydrophobicContact CB-CB 3.87Å; C822-A832 HydrophobicContact CB-CB 3.77Å; C822-C862 VanDerWaalsContact SG-SG 3.65Å; C822-N864 WeakPolarHBondContact CB-O 3.26Å; C822-N864 PolarHBondContact N-ND2 3.22Å; C822-N864 PolarHBondContact N-O 3.39Å; C822-N864 PolarHBondContact SG-ND2 3.01Å; C822-N864 VanDerWaalsContact SG-ND2 3.43Å; C822-V865 HydrophobicContact CB-CG1 4.02Å; C822-Q868 PolarHBondContact O-NE2 3.47Å
823	D	93.8	Very high	91.9	Very high	2 Å²	2	37 Å²	37	1%	0.011	21%	0.212	C	C	.	.			trans	-51.5	125.4	173.6	-174.8	-51.3	0	0	0	111.4	K787 E821 D825 L826 C827 N964	K787-D823 WeakPolarHBondContact CD-OD2 3.42Å; K787-D823 WeakPolarHBondContact CE-OD2 3.2Å; K787-D823 IonicContact NZ-OD1 3.16Å; K787-D823 PolarHBondContact NZ-OD1 2.87Å; K787-D823 IonicContact NZ-OD2 2.57Å; K787-D823 PolarHBondContact NZ-OD2 2.94Å; E821-D823 PolarHBondContact O-N 2.98Å; D823-D825 VanDerWaalsContact C-N 3.29Å; D823-D825 PolarHBondContact O-N 2.99Å; D823-D825 WeakPolarHBondContact OD1-CB 3.49Å; D823-D825 PolarHBondContact OD1-N 3.44Å; D823-L826 HydrophobicContact CB-CB 4.18Å; D823-L826 HydrophobicContact CB-CD1 4.07Å; D823-L826 HydrophobicContact CB-CG 4.25Å; D823-L826 PolarHBondContact O-N 3.4Å; D823-L826 PolarHBondContact OD1-N 2.85Å; D823-C827 WeakPolarHBondContact O-CB 3.27Å; D823-C827 PolarHBondContact O-N 3.03Å; D823-C827 PolarHBondContact O-SG 2.82Å; D823-C827 VanDerWaalsContact O-SG 3.35Å; D823-N964 PolarHBondContact OD2-OD1 3.24Å
824	P	92.1	Very high	91.1	Very high	32 Å²	32	39.6 Å²	39.6	21%	0.208	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-15.1	-173.7	31.4	-36.7	0	0	0	114.5	H833 N964	P824-H833 WeakPolarHBondContact O-CA 3.28Å; P824-H833 VanDerWaalsContact O-CB 3.29Å; P824-H833 WeakPolarHBondContact O-CB 3.05Å; P824-H833 PolarHBondContact O-ND1 2.81Å; P824-N964 WeakPolarHBondContact CD-OD1 3.28Å
825	D	91.6	Very high	89.6	Confident	89 Å²	89	41.4 Å²	41.4	48%	0.476	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92	-21.4	177.3	-58.2	-52.1	0	0	0	111.8	K787 D823	K787-D825 HydrophobicContact CD-CB 4.15Å; K787-D825 VanDerWaalsContact CD-OD2 3.31Å; K787-D825 WeakPolarHBondContact CD-OD2 3.3Å; K787-D825 WeakPolarHBondContact CE-OD2 3.35Å; K787-D825 IonicContact NZ-OD2 3.91Å; K787-D825 PolarHBondContact NZ-OD2 3.24Å; D823-D825 VanDerWaalsContact C-N 3.29Å; D823-D825 PolarHBondContact O-N 2.99Å; D823-D825 WeakPolarHBondContact OD1-CB 3.49Å; D823-D825 PolarHBondContact OD1-N 3.44Å
826	L	92	Very high	87.6	Confident	49 Å²	49	47.8 Å²	47.8	26%	0.257	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.1	-39	-178.2	-56.6	174.6	0	0	0	113	F799 D823 L828	F799-L826 HydrophobicContact CD1-CD1 4.48Å; F799-L826 WeakPolarHBondContact O-CD1 3.48Å; D823-L826 HydrophobicContact CB-CB 4.18Å; D823-L826 HydrophobicContact CB-CD1 4.07Å; D823-L826 HydrophobicContact CB-CG 4.25Å; D823-L826 PolarHBondContact O-N 3.4Å; D823-L826 PolarHBondContact OD1-N 2.85Å; L826-L828 PolarHBondContact O-N 2.95Å
827	C	92.6	Very high	85.3	Confident	0 Å²	0	57.5 Å²	57.5	0%	0	31%	0.306	C	S	.	.			trans	-89.2	50.6	-171.2	-55.8	0	0	0	0	112.2	C802 C815 C822 D823 S829 C830 A832	C802-C827 PolarHBondContact N-SG 2.74Å; C802-C827 VanDerWaalsContact N-SG 3.4Å; C815-C827 VanDerWaalsContact SG-SG 3.65Å; C822-C827 HydrophobicContact CB-CB 3.87Å; D823-C827 WeakPolarHBondContact O-CB 3.27Å; D823-C827 PolarHBondContact O-N 3.03Å; D823-C827 PolarHBondContact O-SG 2.82Å; D823-C827 VanDerWaalsContact O-SG 3.35Å; C827-S829 VanDerWaalsContact C-N 3.29Å; C827-S829 PolarHBondContact O-N 3.46Å; C827-C830 PolarHBondContact O-N 3.24Å; C827-C830 PolarHBondContact O-SG 3.07Å; C827-C830 VanDerWaalsContact O-SG 3.38Å; C827-A832 HydrophobicContact CB-CB 3.84Å
828	L	89.2	Confident	82.6	Confident	111 Å²	111	56.9 Å²	56.9	58%	0.581	31%	0.312	S	S	*	.	G	3₁₀ helix	trans	-62.8	-29.2	-168.2	-56.5	-178.6	0	0	0	114	L826 H833	L826-L828 PolarHBondContact O-N 2.95Å; L828-H833 HydrophobicContact CD2-CB 3.89Å
829	S	89.3	Confident	80	Confident	67 Å²	67	64.7 Å²	64.7	47%	0.469	34%	0.339	S	S	.	.	G	3₁₀ helix	trans	-85.9	-12.6	-173.8	68.9	0	0	0	0	115.5	R803 C804 C827	R803-S829 VanDerWaalsContact CA-OG 3.32Å; R803-S829 WeakPolarHBondContact CA-OG 3.42Å; C804-S829 CarbonylContact O-C 3.58Å; C804-S829 VanDerWaalsContact O-O 3.09Å; C804-S829 PolarHBondContact O-OG 2.89Å; C827-S829 VanDerWaalsContact C-N 3.29Å; C827-S829 PolarHBondContact O-N 3.46Å
830	C	90.8	Very high	77.4	Confident	0 Å²	0	67.4 Å²	67.4	0%	0	37%	0.365	C	S	.	.	G	3₁₀ helix	trans	-106.3	9.7	-169	78.9	0	0	0	0	114.5	C802 C804 C808 C827 T861 C862	C802-C830 VanDerWaalsContact SG-SG 3.67Å; C804-C830 HydrophobicContact CB-CB 3.98Å; C804-C830 WeakPolarHBondContact O-CA 3.24Å; C804-C830 VanDerWaalsContact O-CB 3.3Å; C804-C830 WeakPolarHBondContact O-CB 3.25Å; C804-C830 PolarHBondContact O-N 3.22Å; C808-C830 VanDerWaalsContact SG-CB 3.52Å; C827-C830 PolarHBondContact O-N 3.24Å; C827-C830 PolarHBondContact O-SG 3.07Å; C827-C830 VanDerWaalsContact O-SG 3.38Å; C830-T861 CarbonylContact O-C 3.52Å; C830-C862 WeakPolarHBondContact O-CA 3.25Å; C830-C862 VanDerWaalsContact O-CB 3.25Å; C830-C862 WeakPolarHBondContact O-CB 3.23Å; C830-C862 PolarHBondContact O-N 3.46Å
831	G	86.3	Confident	74.6	Confident	11 Å²	11	72.1 Å²	72.1	11%	0.113	40%	0.4	C	S	.	.	T	Hydrogen-bonded Turn	trans	76.6	16.4	-175.6	0	0	0	0	0	115	S834	G831-S834 WeakPolarHBondContact CA-OG 3.49Å; G831-S834 PolarHBondContact O-OG 3Å
832	A	88.6	Confident	71.5	Confident	0 Å²	0	74.4 Å²	74.4	0%	0	43%	0.426	C	S	.	.	S	Bend	trans	-74.8	-39.1	172.2	0	0	0	0	0	112	C822 C827 C862 V865 R869	C822-A832 HydrophobicContact CB-CB 3.77Å; C827-A832 HydrophobicContact CB-CB 3.84Å; A832-C862 HydrophobicContact CB-CB 4.29Å; A832-V865 HydrophobicContact CB-CG1 3.81Å; A832-R869 PolarHBondContact O-NH2 3.02Å
833	H	86.5	Confident	68.4	Low	108 Å²	108	82.8 Å²	82.8	50%	0.5	47%	0.471	S	S	.	.	S	Bend	trans	-68.1	-33.8	176.1	-175.4	73.5	0	0	0	113.5	P824 L828 S835	P824-H833 WeakPolarHBondContact O-CA 3.28Å; P824-H833 VanDerWaalsContact O-CB 3.29Å; P824-H833 WeakPolarHBondContact O-CB 3.05Å; P824-H833 PolarHBondContact O-ND1 2.81Å; L828-H833 HydrophobicContact CD2-CB 3.89Å; H833-S835 PolarHBondContact O-N 3.16Å
834	S	78.3	Confident	65.6	Low	56 Å²	56	87 Å²	87	39%	0.392	50%	0.501	S	S	.	.	S	Bend	trans	-69.3	106.8	-171.9	50.5	0	0	0	0	112.2	G831 F836 R869	G831-S834 WeakPolarHBondContact CA-OG 3.49Å; G831-S834 PolarHBondContact O-OG 3Å; S834-F836 PolarHBondContact O-N 2.91Å; S834-R869 PolarHBondContact O-NH1 3.22Å; S834-R869 PolarHBondContact O-NH2 3.49Å
835	S	62.1	Low	62.9	Low	100 Å²	100	94.6 Å²	94.6	70%	0.699	54%	0.536	S	S	*	.			trans	-58.6	122.1	172.2	-67.1	0	0	0	0	111.3	H833 R837	H833-S835 PolarHBondContact O-N 3.16Å; S835-R837 PolarHBondContact O-N 3.1Å
836	F	53.6	Low	60.2	Low	133 Å²	133	96 Å²	96	58%	0.583	54%	0.543	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.8	23.5	-165.9	-159.8	-104.6	0	0	0	115.1	S834 T861 W871	S834-F836 PolarHBondContact O-N 2.91Å; F836-T861 HydrophobicContact CE2-CG2 4.47Å; F836-W871 HydrophobicContact CB-CZ2 4.16Å; F836-W871 HydrophobicContact CD1-CZ2 4.3Å; F836-W871 HydrophobicContact CD2-CH2 4.23Å; F836-W871 HydrophobicContact CD2-CZ2 4.11Å; F836-W871 AromaticContact CG-CZ2 3.95Å; F836-W871 HydrophobicContact CG-CZ2 3.95Å
837	R	44.5	Very low	58	Low	233 Å²	233	100.3 Å²	100.3	88%	0.879	57%	0.566	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.7	-10.8	-173.6	-76.3	-166.6	173.3	-154.4	-1.6	115.3	S835 F839	S835-R837 PolarHBondContact O-N 3.1Å; R837-F839 PolarHBondContact O-N 3.38Å
838	S	37	Very low	55.9	Low	107 Å²	107	106.7 Å²	106.7	75%	0.748	60%	0.599	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.2	12.2	-167.1	-51.9	0	0	0	0	116.8
839	F	37	Very low	53.5	Low	202 Å²	202	106 Å²	106	89%	0.886	60%	0.604	S	S	*	*	T	Hydrogen-bonded Turn	trans	-142.1	8.1	-174.2	-98.3	-78.7	0	0	0	116.6	R837	R837-F839 PolarHBondContact O-N 3.38Å
840	A	37.7	Very low	51.4	Low	94 Å²	94	109.7 Å²	109.7	78%	0.777	62%	0.618	S	S	*	*	S	Bend	trans	-126.3	4.8	-172.6	0	0	0	0	0	115.6
841	S	34	Very low	49.2	Very low	110 Å²	110	116.4 Å²	116.4	77%	0.769	65%	0.653	S	S	*	*			trans	-130.1	132.3	169.1	-175.4	0	0	0	0	109
842	G	29.5	Very low	47.1	Very low	59 Å²	59	121.8 Å²	121.8	61%	0.608	68%	0.675	S	S	*	*			trans	-69.9	170.7	168.8	0	0	0	0	0	112
843	N	30.2	Very low	44.8	Very low	175 Å²	175	127.8 Å²	127.8	94%	0.936	71%	0.712	S	S	*	*			trans	74.6	50.2	164.1	-52.8	-11.6	0	0	0	118.1
844	S	34.9	Very low	42.8	Very low	92 Å²	92	128.5 Å²	128.5	64%	0.643	72%	0.724	S	S	*	*			trans	-143.9	148.7	134.5	84.5	0	0	0	0	111.7	D846	S844-D846 WeakPolarHBondContact CB-OD2 3.31Å; S844-D846 PolarHBondContact OG-OD2 3.31Å
845	M	34.5	Very low	40.9	Very low	191 Å²	191	132 Å²	132	94%	0.941	74%	0.738	S	S	*	*			trans	-112.3	59.2	-175.4	-106.5	-82.9	-73.9	0	0	109.8	L847	M845-L847 PolarHBondContact O-N 2.9Å
846	D	35.8	Very low	39.7	Very low	118 Å²	118	132.3 Å²	132.3	63%	0.631	74%	0.737	S	S	*	*			trans	-90.5	96.1	-169.7	-74.8	-61.6	0	0	0	114.1	S844 L848	S844-D846 WeakPolarHBondContact CB-OD2 3.31Å; S844-D846 PolarHBondContact OG-OD2 3.31Å; D846-L848 VanDerWaalsContact C-N 3.27Å; D846-L848 PolarHBondContact O-N 2.91Å
847	L	46.3	Very low	38.8	Very low	140 Å²	140	130.6 Å²	130.6	73%	0.733	74%	0.74	S	S	*	*	S	Bend	trans	43.8	-41	146.7	-146.3	69	0	0	0	121.8	M845 S849 L850	M845-L847 PolarHBondContact O-N 2.9Å; L847-S849 PolarHBondContact O-N 3.17Å; L847-S849 VanDerWaalsContact O-N 3.15Å; L847-L850 PolarHBondContact O-N 3.27Å
848	L	47.3	Very low	38.8	Very low	133 Å²	133	125.7 Å²	125.7	70%	0.696	74%	0.735	S	S	*	*	G	3₁₀ helix	trans	-57.2	-32.4	-175.8	-95.8	78.5	0	0	0	113.3	D846 L850 L851	D846-L848 VanDerWaalsContact C-N 3.27Å; D846-L848 PolarHBondContact O-N 2.91Å; L848-L850 PolarHBondContact O-N 3.04Å; L848-L850 VanDerWaalsContact O-N 3.13Å; L848-L851 PolarHBondContact O-N 3.33Å
849	S	39.7	Very low	39	Very low	98 Å²	98	126.7 Å²	126.7	69%	0.685	74%	0.737	S	S	*	*	G	3₁₀ helix	trans	-57.6	-28.5	-178.2	-161	0	0	0	0	113.1	L847 L851 Q852	L847-S849 PolarHBondContact O-N 3.17Å; L847-S849 VanDerWaalsContact O-N 3.15Å; S849-L851 PolarHBondContact O-N 3.41Å; S849-Q852 WeakPolarHBondContact O-CB 3.37Å; S849-Q852 PolarHBondContact O-N 3.21Å
850	L	45.8	Very low	39.9	Very low	143 Å²	143	117.6 Å²	117.6	75%	0.749	70%	0.7	S	S	*	*	G	3₁₀ helix	trans	-77.3	-16.1	179.3	-70.8	171.7	0	0	0	114.2	L847 L848	L847-L850 PolarHBondContact O-N 3.27Å; L848-L850 PolarHBondContact O-N 3.04Å; L848-L850 VanDerWaalsContact O-N 3.13Å
851	L	44.8	Very low	42	Very low	141 Å²	141	116.7 Å²	116.7	74%	0.738	69%	0.685	S	S	*	*	G	3₁₀ helix	trans	-91.3	-3	173.4	-69.1	169.9	0	0	0	112.6	L848 S849 T853	L848-L851 PolarHBondContact O-N 3.33Å; S849-L851 PolarHBondContact O-N 3.41Å; L851-T853 VanDerWaalsContact C-N 3.3Å; L851-T853 PolarHBondContact O-N 3Å
852	Q	42	Very low	44.7	Very low	124 Å²	124	111.6 Å²	111.6	58%	0.579	65%	0.649	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.7	21.2	-166.5	-158.8	155	-44.8	0	0	114.8	S849	S849-Q852 WeakPolarHBondContact O-CB 3.37Å; S849-Q852 PolarHBondContact O-N 3.21Å
853	T	39.3	Very low	47.4	Very low	126 Å²	126	115.7 Å²	115.7	77%	0.773	65%	0.646	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.4	2.1	-178.5	46.7	0	0	0	0	114.9	L851	L851-T853 VanDerWaalsContact C-N 3.3Å; L851-T853 PolarHBondContact O-N 3Å
854	T	43.9	Very low	50.4	Low	124 Å²	124	108.4 Å²	108.4	76%	0.761	61%	0.607	S	S	*	*	S	Bend	trans	-130.7	1.9	-177.1	58.9	0	0	0	0	115.8
855	L	39.5	Very low	53.2	Low	129 Å²	129	104 Å²	104	68%	0.675	58%	0.577	S	S	*	*	S	Bend	trans	-121.5	141.3	-179.5	-76.8	157	0	0	0	110.6
856	P	36.2	Very low	55.9	Low	107 Å²	107	95.4 Å²	95.4	70%	0.695	54%	0.536	S	S	*	.			trans	-67.2	150.9	178.6	29.5	-35	0	0	0	111.2
857	P	35.9	Very low	58.6	Low	97 Å²	97	89.8 Å²	89.8	63%	0.63	51%	0.506	S	S	*	.			trans	-61.4	145.2	-179.6	26.8	-35.4	0	0	0	111.4	T859	P857-T859 HydrophobicContact CB-CG2 4.42Å; P857-T859 HydrophobicContact CG-CG2 4.37Å; P857-T859 PolarHBondContact O-N 3.16Å; P857-T859 PolarHBondContact O-OG1 3.03Å
858	V	43.8	Very low	60.8	Low	129 Å²	129	85.2 Å²	85.2	78%	0.782	48%	0.481	S	S	*	.			trans	-78.5	67.1	-175.9	-170.8	0	0	0	0	110.9	G860	V858-G860 PolarHBondContact O-N 3.17Å
859	T	40.3	Very low	62.7	Low	129 Å²	129	82 Å²	82	79%	0.791	46%	0.46	S	S	*	.			trans	-80.9	60.1	178.3	46.2	0	0	0	0	111.8	P857	P857-T859 HydrophobicContact CB-CG2 4.42Å; P857-T859 HydrophobicContact CG-CG2 4.37Å; P857-T859 PolarHBondContact O-N 3.16Å; P857-T859 PolarHBondContact O-OG1 3.03Å
860	G	55.9	Low	65	Low	10 Å²	10	79.1 Å²	79.1	10%	0.103	45%	0.445	C	S	.	.			trans	178.8	72.8	-176.5	0	0	0	0	0	116.1	R805 G806 V858	R805-G860 WeakPolarHBondContact O-CA 3.33Å; G806-G860 WeakPolarHBondContact CA-O 3.35Å; V858-G860 PolarHBondContact O-N 3.17Å
861	T	82.6	Confident	67	Low	76 Å²	76	77.1 Å²	77.1	47%	0.466	43%	0.428	S	S	.	.			trans	-68.1	154.8	163.5	49.8	0	0	0	0	111.2	Q807 C830 F836	Q807-T861 PolarHBondContact N-O 3.01Å; C830-T861 CarbonylContact O-C 3.52Å; F836-T861 HydrophobicContact CE2-CG2 4.47Å
862	C	90.1	Very high	69.2	Low	3 Å²	3	74.8 Å²	74.8	2%	0.02	41%	0.409	C	S	.	.			trans	-79.9	132.3	174.8	-161.9	0	0	0	0	110.3	C822 C830 A832 V865	C822-C862 VanDerWaalsContact SG-SG 3.65Å; C830-C862 WeakPolarHBondContact O-CA 3.25Å; C830-C862 VanDerWaalsContact O-CB 3.25Å; C830-C862 WeakPolarHBondContact O-CB 3.23Å; C830-C862 PolarHBondContact O-N 3.46Å; A832-C862 HydrophobicContact CB-CB 4.29Å; C862-V865 HydrophobicContact CB-CG1 3.87Å; C862-V865 HydrophobicContact CB-CG2 4.07Å; C862-V865 WeakPolarHBondContact O-CG2 3.4Å
863	R	87.7	Confident	71.6	Confident	144 Å²	144	70.8 Å²	70.8	54%	0.543	39%	0.39	S	S	.	.	S	Bend	trans	-93	-3.7	171.5	-73.3	-168.2	175	-159.3	0.1	113.8	N809	N809-R863 HydrophobicContact CB-CB 4.27Å
864	N	92.6	Very high	74.2	Confident	22 Å²	22	68.1 Å²	68.1	12%	0.118	37%	0.369	C	S	.	.	S	Bend	trans	-117.5	57.2	-174.4	-179.4	52.7	0	0	0	110.3	C808 V816 R820 E821 C822	C808-N864 HydrophobicContact CB-CB 4.06Å; C808-N864 WeakPolarHBondContact O-CB 3.44Å; V816-N864 HydrophobicContact CG2-CB 4.45Å; R820-N864 PolarHBondContact O-ND2 2.99Å; R820-N864 PolarHBondContact O-OD1 3.05Å; E821-N864 WeakPolarHBondContact CA-ND2 3.25Å; C822-N864 WeakPolarHBondContact CB-O 3.26Å; C822-N864 PolarHBondContact N-ND2 3.22Å; C822-N864 PolarHBondContact N-O 3.39Å; C822-N864 PolarHBondContact SG-ND2 3.01Å; C822-N864 VanDerWaalsContact SG-ND2 3.43Å
865	V	92.7	Very high	76.7	Confident	0 Å²	0	62.3 Å²	62.3	0%	0	33%	0.333	C	S	.	.			trans	-149.7	19.3	-179.1	-64.3	0	0	0	0	110.5	E821 C822 A832 C862 Q868 R869 W871	E821-V865 VanDerWaalsContact OE1-C 3.24Å; E821-V865 WeakPolarHBondContact OE1-CA 3.29Å; E821-V865 PolarHBondContact OE1-N 2.94Å; E821-V865 WeakPolarHBondContact OE2-CA 3.28Å; C822-V865 HydrophobicContact CB-CG1 4.02Å; A832-V865 HydrophobicContact CB-CG1 3.81Å; C862-V865 HydrophobicContact CB-CG1 3.87Å; C862-V865 HydrophobicContact CB-CG2 4.07Å; C862-V865 WeakPolarHBondContact O-CG2 3.4Å; V865-Q868 HydrophobicContact CB-CG 4.15Å; V865-R869 HydrophobicContact CB-CG 4.48Å; V865-R869 VanDerWaalsContact O-CB 3.25Å; V865-R869 WeakPolarHBondContact O-CB 3.33Å; V865-R869 WeakPolarHBondContact O-CG 3.48Å; V865-R869 PolarHBondContact O-N 3.36Å; V865-W871 HydrophobicContact CG2-CE3 4.15Å; V865-W871 HydrophobicContact CG2-CH2 4.31Å; V865-W871 HydrophobicContact CG2-CZ3 3.72Å
866	A	91.8	Very high	79.4	Confident	11 Å²	11	57.7 Å²	57.7	9%	0.091	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.1	-38.6	-169	0	0	0	0	0	111.9	E821 G870 W871 F898	E821-A866 PolarHBondContact OE1-N 3.29Å; A866-G870 CarbonylContact O-C 3.47Å; A866-G870 PolarHBondContact O-N 3.37Å; A866-W871 HydrophobicContact CB-CB 4.21Å; A866-W871 PolarHBondContact O-N 3Å; A866-F898 HydrophobicContact CB-CB 4.05Å; A866-F898 HydrophobicContact CB-CD1 3.56Å; A866-F898 HydrophobicContact CB-CE1 4.13Å; A866-F898 HydrophobicContact CB-CG 3.88Å
867	I	92.3	Very high	82.2	Confident	0 Å²	0	53.7 Å²	53.7	0%	0	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-54.6	175.7	-59.4	170.9	0	0	0	109.1	E821 R869 G870 F898 E901 I961 V963 R968	E821-I867 PolarHBondContact OE1-N 2.88Å; E821-I867 PolarHBondContact OE2-N 3.48Å; I867-R869 PolarHBondContact O-N 3.44Å; I867-G870 PolarHBondContact O-N 3.07Å; I867-F898 HydrophobicContact CD1-CE2 4.27Å; I867-F898 HydrophobicContact CG1-CD2 4.15Å; I867-F898 HydrophobicContact CG1-CE2 3.49Å; I867-F898 VanDerWaalsContact CG1-CE2 3.49Å; I867-F898 HydrophobicContact CG1-CZ 3.76Å; I867-E901 HydrophobicContact CG2-CB 4.43Å; I867-E901 HydrophobicContact CG2-CG 4.01Å; I867-I961 HydrophobicContact CD1-CB 4.28Å; I867-I961 HydrophobicContact CD1-CD1 4.16Å; I867-V963 HydrophobicContact CB-CG2 4.32Å; I867-V963 HydrophobicContact CD1-CG2 4.21Å; I867-V963 HydrophobicContact CG2-CG1 4.5Å; I867-V963 HydrophobicContact CG2-CG2 4.21Å; I867-R968 HydrophobicContact CG2-CB 4.11Å; I867-R968 VanDerWaalsContact CG2-CD 3.49Å; I867-R968 HydrophobicContact CG2-CG 4.43Å
868	Q	92.1	Very high	85	Confident	44 Å²	44	50 Å²	50	21%	0.206	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-14	-177.8	74.3	-175.8	-4.8	0	0	114.8	E821 C822 V865 V963 N964	E821-Q868 WeakPolarHBondContact OE2-CB 3.44Å; E821-Q868 WeakPolarHBondContact OE2-CG 3.37Å; E821-Q868 PolarHBondContact OE2-N 2.59Å; C822-Q868 PolarHBondContact O-NE2 3.47Å; V865-Q868 HydrophobicContact CB-CG 4.15Å; Q868-V963 HydrophobicContact CB-CG1 3.68Å; Q868-N964 PolarHBondContact OE1-ND2 3.46Å
869	R	88.5	Confident	87.4	Confident	65 Å²	65	47.2 Å²	47.2	25%	0.245	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.9	-1.1	175.5	-63.6	-179.4	175.9	-153.2	-7.3	113.9	A832 S834 V865 I867 W871	A832-R869 PolarHBondContact O-NH2 3.02Å; S834-R869 PolarHBondContact O-NH1 3.22Å; S834-R869 PolarHBondContact O-NH2 3.49Å; V865-R869 HydrophobicContact CB-CG 4.48Å; V865-R869 VanDerWaalsContact O-CB 3.25Å; V865-R869 WeakPolarHBondContact O-CB 3.33Å; V865-R869 WeakPolarHBondContact O-CG 3.48Å; V865-R869 PolarHBondContact O-N 3.36Å; I867-R869 PolarHBondContact O-N 3.44Å; R869-W871 VanDerWaalsContact C-N 3.25Å; R869-W871 HydrophobicContact CB-CD2 3.95Å; R869-W871 HydrophobicContact CB-CG 3.88Å; R869-W871 VanDerWaalsContact NH1-CH2 3.25Å; R869-W871 VanDerWaalsContact NH1-CZ2 3.29Å; R869-W871 PolarHBondContact O-N 3.08Å
870	G	87.5	Confident	89.9	Confident	37 Å²	37	41.9 Å²	41.9	38%	0.381	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.7	26.6	-176.5	0	0	0	0	0	114.5	A866 I867 R872	A866-G870 CarbonylContact O-C 3.47Å; A866-G870 PolarHBondContact O-N 3.37Å; I867-G870 PolarHBondContact O-N 3.07Å; G870-R872 PolarHBondContact O-N 3Å
871	W	87.7	Confident	91.5	Very high	102 Å²	102	46.6 Å²	46.6	39%	0.386	23%	0.234	S	C	.	.			trans	-76.3	58.1	-176.8	-70.4	-8.5	0	0	0	112.5	F836 V865 A866 R869 F898	F836-W871 HydrophobicContact CB-CZ2 4.16Å; F836-W871 HydrophobicContact CD1-CZ2 4.3Å; F836-W871 HydrophobicContact CD2-CH2 4.23Å; F836-W871 HydrophobicContact CD2-CZ2 4.11Å; F836-W871 AromaticContact CG-CZ2 3.95Å; F836-W871 HydrophobicContact CG-CZ2 3.95Å; V865-W871 HydrophobicContact CG2-CE3 4.15Å; V865-W871 HydrophobicContact CG2-CH2 4.31Å; V865-W871 HydrophobicContact CG2-CZ3 3.72Å; A866-W871 HydrophobicContact CB-CB 4.21Å; A866-W871 PolarHBondContact O-N 3Å; R869-W871 VanDerWaalsContact C-N 3.25Å; R869-W871 HydrophobicContact CB-CD2 3.95Å; R869-W871 HydrophobicContact CB-CG 3.88Å; R869-W871 VanDerWaalsContact NH1-CH2 3.25Å; R869-W871 VanDerWaalsContact NH1-CZ2 3.29Å; R869-W871 PolarHBondContact O-N 3.08Å; W871-F898 WeakPolarHBondContact O-CD1 3.36Å
872	R	91.4	Very high	91.7	Very high	92 Å²	92	46.9 Å²	46.9	35%	0.347	24%	0.235	S	C	.	.	P	Polyproline II helix	trans	-87.9	155.3	-178.5	69.2	-156.6	-176.7	-173	-7	112.6	G870 F898 I899 Y900	G870-R872 PolarHBondContact O-N 3Å; R872-F898 HydrophobicContact CB-CE1 4.09Å; R872-I899 CarbonylContact C-O 3.27Å; R872-I899 WeakPolarHBondContact CA-O 3.44Å; R872-I899 VanDerWaalsContact CB-O 3.28Å; R872-I899 WeakPolarHBondContact CB-O 3.33Å; R872-Y900 HydrophobicContact CB-CD2 3.69Å; R872-Y900 HydrophobicContact CB-CE2 4.08Å; R872-Y900 HydrophobicContact CB-CG 4.16Å; R872-Y900 VanDerWaalsContact CD-CE2 3.46Å; R872-Y900 HydrophobicContact CG-CD2 3.9Å; R872-Y900 HydrophobicContact CG-CE2 3.72Å; R872-Y900 PolarHBondContact NE-OH 2.89Å
873	K	92.9	Very high	91.6	Very high	40 Å²	40	49.8 Å²	49.8	17%	0.174	26%	0.259	C	S	.	.	P	Polyproline II helix	trans	-72.1	157.4	170.9	-59.6	-82.7	-175.9	166.7	0	110.1	I889 A892 D897 I899	K873-I889 HydrophobicContact CB-CD1 4.09Å; K873-I889 HydrophobicContact CB-CG1 4.27Å; K873-I889 HydrophobicContact CG-CD1 4.15Å; K873-A892 PolarHBondContact NZ-O 2.86Å; K873-D897 VanDerWaalsContact CE-OD2 3.29Å; K873-D897 WeakPolarHBondContact CE-OD2 3.39Å; K873-D897 IonicContact NZ-OD2 2.8Å; K873-D897 PolarHBondContact NZ-OD2 3.23Å; K873-I899 HydrophobicContact CB-CG2 4.31Å; K873-I899 PolarHBondContact N-O 3.21Å
874	H	94.1	Very high	91.7	Very high	70 Å²	70	45 Å²	45	32%	0.324	26%	0.255	S	S	.	.	P	Polyproline II helix	trans	-82.6	137.1	174.3	-166.1	-120.4	0	0	0	111.9	K890	H874-K890 HydrophobicContact CB-CB 4.26Å; H874-K890 WeakPolarHBondContact ND1-CD 3.39Å; H874-K890 PolarHBondContact O-N 2.85Å
875	L	95.6	Very high	91.7	Very high	2 Å²	2	45.2 Å²	45.2	1%	0.01	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	140.8	-171.8	-61.1	-177.1	0	0	0	111.2	I887 F888 I889 I899 Y900 K944 I945 L983	L875-I887 HydrophobicContact CB-CD1 4.26Å; L875-I887 HydrophobicContact CB-CG1 3.9Å; L875-I887 HydrophobicContact CD1-CG1 4.1Å; L875-I887 HydrophobicContact CG-CG1 4.47Å; L875-F888 WeakPolarHBondContact CA-O 3.15Å; L875-I889 HydrophobicContact CD2-CB 4.28Å; L875-I889 HydrophobicContact CD2-CG1 4.03Å; L875-I899 HydrophobicContact CD2-CG2 4.05Å; L875-Y900 HydrophobicContact CD1-CD2 3.36Å; L875-Y900 HydrophobicContact CD1-CE2 3.65Å; L875-Y900 HydrophobicContact CD1-CG 3.94Å; L875-Y900 HydrophobicContact CG-CD2 3.89Å; L875-Y900 HydrophobicContact CG-CE2 3.99Å; L875-K944 HydrophobicContact CB-CB 4.44Å; L875-K944 HydrophobicContact CD1-CB 4.38Å; L875-I945 HydrophobicContact CD1-CB 4.17Å; L875-I945 HydrophobicContact CD1-CD1 3.78Å; L875-L983 HydrophobicContact CD2-CD1 3.65Å
876	L	95.7	Very high	91.8	Very high	31 Å²	31	45.2 Å²	45.2	16%	0.162	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	143.5	179.7	-58.3	176.3	0	0	0	109.9	I887 F888 K890	L876-I887 WeakPolarHBondContact O-CA 3.21Å; L876-I887 WeakPolarHBondContact O-CD1 3.46Å; L876-F888 HydrophobicContact CB-CB 4.43Å; L876-F888 PolarHBondContact N-O 2.84Å; L876-F888 PolarHBondContact O-N 3.28Å; L876-K890 HydrophobicContact CD1-CB 4.27Å; L876-K890 HydrophobicContact CD1-CG 4.23Å; L876-K890 HydrophobicContact CD2-CD 4.16Å; L876-K890 HydrophobicContact CG-CB 4.23Å
877	M	94.6	Very high	92.1	Very high	24 Å²	24	44.7 Å²	44.7	12%	0.118	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	128.3	180	-178.9	176	172	0	0	109.9	W885 I887 F947 I1039	M877-W885 HydrophobicContact CE-CB 4.17Å; M877-W885 HydrophobicContact CE-CD2 3.37Å; M877-W885 HydrophobicContact CE-CE3 3.48Å; M877-W885 VanDerWaalsContact CE-CE3 3.48Å; M877-W885 HydrophobicContact CE-CG 3.7Å; M877-W885 HydrophobicContact CE-CH2 4.34Å; M877-W885 HydrophobicContact CE-CZ2 4.23Å; M877-W885 HydrophobicContact CE-CZ3 3.99Å; M877-W885 HydrophobicContact CG-CD2 4.49Å; M877-W885 HydrophobicContact CG-CE3 3.69Å; M877-W885 HydrophobicContact CG-CZ3 3.99Å; M877-W885 HydrophobicContact SD-CE3 4.43Å; M877-I887 HydrophobicContact CB-CD1 3.96Å; M877-F947 HydrophobicContact CE-CD1 4.36Å; M877-F947 HydrophobicContact CE-CD2 4.22Å; M877-F947 HydrophobicContact CE-CE1 3.96Å; M877-F947 HydrophobicContact CE-CE2 3.81Å; M877-F947 HydrophobicContact CE-CG 4.48Å; M877-F947 HydrophobicContact CE-CZ 3.67Å; M877-F947 HydrophobicContact SD-CD2 3.97Å; M877-F947 HydrophobicContact SD-CE2 3.71Å; M877-F947 HydrophobicContact SD-CZ 4.2Å; M877-I1039 HydrophobicContact SD-CD1 4.22Å
878	A	94.3	Very high	92.3	Very high	20 Å²	20	45.7 Å²	45.7	17%	0.165	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	167.3	179.2	0	0	0	0	0	109.3	W885 G886 F888	A878-W885 VanDerWaalsContact C-CE3 3.46Å; A878-G886 PolarHBondContact N-O 2.84Å; A878-G886 PolarHBondContact O-N 2.74Å; A878-G886 VanDerWaalsContact O-O 3.11Å; A878-F888 HydrophobicContact CB-CD2 4.03Å; A878-F888 HydrophobicContact CB-CE2 3.74Å; A878-F888 HydrophobicContact CB-CZ 4.47Å
879	P	94.3	Very high	92.5	Very high	69 Å²	69	43.6 Å²	43.6	45%	0.448	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-53.2	142	169.3	-25.5	36	0	0	0	111.3	P178 G884 F888	P178-P879 HydrophobicContact CG-CB 4.11Å; P178-P879 HydrophobicContact CG-CG 4.24Å; P879-G884 WeakPolarHBondContact CA-O 3.47Å; P879-F888 WeakPolarHBondContact O-CZ 3.44Å
880	S	93.3	Very high	92.8	Very high	17 Å²	17	45.2 Å²	45.2	12%	0.119	25%	0.253	C	S	.	.			trans	-74.4	150.2	177.8	178.6	0	0	0	0	111.3	V882 A883 G884 N949 E982	S880-V882 PolarHBondContact O-N 2.69Å; S880-V882 PolarHBondContact OG-N 3.36Å; S880-A883 VanDerWaalsContact CB-O 3.26Å; S880-A883 WeakPolarHBondContact CB-O 3.36Å; S880-A883 PolarHBondContact OG-N 2.89Å; S880-G884 PolarHBondContact N-O 2.79Å; S880-N949 PolarHBondContact OG-ND2 3.4Å; S880-E982 WeakPolarHBondContact CA-OE2 3.29Å; S880-E982 VanDerWaalsContact CB-OE1 3.29Å; S880-E982 WeakPolarHBondContact CB-OE1 3.33Å; S880-E982 VanDerWaalsContact OG-CD 3.26Å; S880-E982 PolarHBondContact OG-OE1 2.76Å; S880-E982 PolarHBondContact OG-OE2 2.82Å
881	D	90.2	Very high	93	Very high	110 Å²	110	48.4 Å²	48.4	59%	0.588	26%	0.258	S	S	*	.	S	Bend	trans	-70.2	-12.7	168.6	-83.2	-41.4	0	0	0	112.9	E982 R1002	D881-E982 PolarHBondContact N-OE2 3.38Å; D881-R1002 PolarHBondContact O-NH2 2.92Å
882	V	87.5	Confident	93.3	Very high	81 Å²	81	46.2 Å²	46.2	49%	0.491	26%	0.262	S	S	.	.	S	Bend	trans	-104.1	-69	179.1	-176.2	0	0	0	0	111.1	S880 F984	S880-V882 PolarHBondContact O-N 2.69Å; S880-V882 PolarHBondContact OG-N 3.36Å; V882-F984 HydrophobicContact CG2-CE1 3.9Å; V882-F984 HydrophobicContact CG2-CZ 4.03Å
883	A	86.1	Confident	93.4	Very high	64 Å²	64	42.1 Å²	42.1	53%	0.529	25%	0.247	S	C	.	.	S	Bend	trans	-159.8	140.4	-177.2	0	0	0	0	0	112.7	S880	S880-A883 VanDerWaalsContact CB-O 3.26Å; S880-A883 WeakPolarHBondContact CB-O 3.36Å; S880-A883 PolarHBondContact OG-N 2.89Å
884	G	90.5	Very high	93.5	Very high	43 Å²	43	46.2 Å²	46.2	44%	0.443	27%	0.267	S	S	.	.	S	Bend	trans	68.1	-132.4	173.5	0	0	0	0	0	113.6	P178 P879 S880	P178-G884 WeakPolarHBondContact CG-O 3.48Å; P879-G884 WeakPolarHBondContact CA-O 3.47Å; S880-G884 PolarHBondContact N-O 2.79Å
885	W	93.7	Very high	93.5	Very high	27 Å²	27	49.4 Å²	49.4	10%	0.102	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	135.9	177.9	-74.7	99.4	0	0	0	110.9	V177 P178 M877 A878 F947 N949 I1037	V177-W885 HydrophobicContact CG1-CH2 3.78Å; V177-W885 HydrophobicContact CG1-CZ2 3.29Å; P178-W885 HydrophobicContact CB-CG 4.4Å; P178-W885 PolarHBondContact O-NE1 2.84Å; M877-W885 HydrophobicContact CE-CB 4.17Å; M877-W885 HydrophobicContact CE-CD2 3.37Å; M877-W885 HydrophobicContact CE-CE3 3.48Å; M877-W885 VanDerWaalsContact CE-CE3 3.48Å; M877-W885 HydrophobicContact CE-CG 3.7Å; M877-W885 HydrophobicContact CE-CH2 4.34Å; M877-W885 HydrophobicContact CE-CZ2 4.23Å; M877-W885 HydrophobicContact CE-CZ3 3.99Å; M877-W885 HydrophobicContact CG-CD2 4.49Å; M877-W885 HydrophobicContact CG-CE3 3.69Å; M877-W885 HydrophobicContact CG-CZ3 3.99Å; M877-W885 HydrophobicContact SD-CE3 4.43Å; A878-W885 VanDerWaalsContact C-CE3 3.46Å; W885-F947 HydrophobicContact CB-CD1 3.83Å; W885-F947 HydrophobicContact CB-CE1 4.32Å; W885-F947 HydrophobicContact CB-CG 4.46Å; W885-N949 PolarHBondContact O-ND2 2.93Å; W885-I1037 HydrophobicContact CH2-CD1 4.3Å
886	G	94.6	Very high	93.3	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	169.5	172.7	0	0	0	0	0	112.4	A878 F947 E982	A878-G886 PolarHBondContact N-O 2.84Å; A878-G886 PolarHBondContact O-N 2.74Å; A878-G886 VanDerWaalsContact O-O 3.11Å; G886-F947 CarbonylContact C-O 3.32Å; G886-F947 WeakPolarHBondContact CA-O 3.33Å; G886-E982 VanDerWaalsContact CA-OE1 3.28Å; G886-E982 WeakPolarHBondContact CA-OE1 3.38Å
887	I	96.5	Very high	93.2	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	131.5	172.7	-155.5	77	0	0	0	110.7	L875 L876 M877 K944 I945 F947 A948 E982 L983	L875-I887 HydrophobicContact CB-CD1 4.26Å; L875-I887 HydrophobicContact CB-CG1 3.9Å; L875-I887 HydrophobicContact CD1-CG1 4.1Å; L875-I887 HydrophobicContact CG-CG1 4.47Å; L876-I887 WeakPolarHBondContact O-CA 3.21Å; L876-I887 WeakPolarHBondContact O-CD1 3.46Å; M877-I887 HydrophobicContact CB-CD1 3.96Å; I887-K944 HydrophobicContact CD1-CB 4.18Å; I887-K944 VanDerWaalsContact CD1-O 3.29Å; I887-K944 WeakPolarHBondContact CD1-O 2.92Å; I887-K944 WeakPolarHBondContact CG1-O 3.32Å; I887-I945 HydrophobicContact CG2-CD1 4.05Å; I887-F947 HydrophobicContact CB-CB 4.1Å; I887-F947 PolarHBondContact N-O 3.02Å; I887-F947 VanDerWaalsContact N-O 3.11Å; I887-A948 HydrophobicContact CG2-CB 3.66Å; I887-E982 CarbonylContact O-C 3.59Å; I887-E982 WeakPolarHBondContact O-CA 3.3Å; I887-L983 HydrophobicContact CG2-CB 3.97Å; I887-L983 HydrophobicContact CG2-CD1 4.37Å; I887-L983 HydrophobicContact CG2-CG 4.44Å; I887-L983 PolarHBondContact O-N 2.58Å
888	F	96.8	Very high	93.1	Very high	21 Å²	21	54.4 Å²	54.4	9%	0.092	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	142.8	-168.8	-58.9	-105.3	0	0	0	109.8	L875 L876 A878 P879 E981 E982	L875-F888 WeakPolarHBondContact CA-O 3.15Å; L876-F888 HydrophobicContact CB-CB 4.43Å; L876-F888 PolarHBondContact N-O 2.84Å; L876-F888 PolarHBondContact O-N 3.28Å; A878-F888 HydrophobicContact CB-CD2 4.03Å; A878-F888 HydrophobicContact CB-CE2 3.74Å; A878-F888 HydrophobicContact CB-CZ 4.47Å; P879-F888 WeakPolarHBondContact O-CZ 3.44Å; F888-E981 VanDerWaalsContact CA-O 3.3Å; F888-E981 WeakPolarHBondContact CA-O 3.35Å; F888-E982 HydrophobicContact CD1-CB 3.82Å; F888-E982 HydrophobicContact CD1-CG 4.48Å; F888-E982 HydrophobicContact CE1-CB 3.55Å; F888-E982 HydrophobicContact CE1-CG 4.12Å; F888-E982 HydrophobicContact CE2-CG 4.29Å; F888-E982 HydrophobicContact CG-CB 4.46Å; F888-E982 HydrophobicContact CZ-CB 3.95Å; F888-E982 HydrophobicContact CZ-CG 4Å
889	I	96.3	Very high	93.2	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	129.1	-176.6	-157.8	174.8	0	0	0	111.8	K873 L875 E891 A893 I899 I977 L978 G980 E981 L983	K873-I889 HydrophobicContact CB-CD1 4.09Å; K873-I889 HydrophobicContact CB-CG1 4.27Å; K873-I889 HydrophobicContact CG-CD1 4.15Å; L875-I889 HydrophobicContact CD2-CB 4.28Å; L875-I889 HydrophobicContact CD2-CG1 4.03Å; I889-E891 VanDerWaalsContact C-N 3.34Å; I889-E891 VanDerWaalsContact CD1-O 3.3Å; I889-E891 WeakPolarHBondContact CD1-O 3.33Å; I889-E891 VanDerWaalsContact CG1-O 3.24Å; I889-E891 WeakPolarHBondContact CG1-O 3.35Å; I889-A893 HydrophobicContact CD1-CB 3.96Å; I889-I899 HydrophobicContact CD1-CG2 4.28Å; I889-I977 HydrophobicContact CG2-CG2 3.84Å; I889-L978 WeakPolarHBondContact CG2-O 3.24Å; I889-G980 PolarHBondContact O-N 2.83Å; I889-E981 PolarHBondContact N-O 2.92Å; I889-E981 VanDerWaalsContact N-O 3.14Å; I889-L983 HydrophobicContact CB-CD1 4.31Å; I889-L983 HydrophobicContact CB-CD2 4.1Å; I889-L983 HydrophobicContact CB-CG 4.4Å; I889-L983 HydrophobicContact CG2-CD2 4.29Å
890	K	94.8	Very high	93.2	Very high	99 Å²	99	50.9 Å²	50.9	43%	0.43	28%	0.28	S	S	.	.	S	Bend	trans	-77.9	-19.9	-179.1	-163.8	170.9	-168.5	167.4	0	113.1	H874 L876 E1038	H874-K890 HydrophobicContact CB-CB 4.26Å; H874-K890 WeakPolarHBondContact ND1-CD 3.39Å; H874-K890 PolarHBondContact O-N 2.85Å; L876-K890 HydrophobicContact CD1-CB 4.27Å; L876-K890 HydrophobicContact CD1-CG 4.23Å; L876-K890 HydrophobicContact CD2-CD 4.16Å; L876-K890 HydrophobicContact CG-CB 4.23Å; K890-E1038 IonicContact NZ-OE1 2.92Å; K890-E1038 PolarHBondContact NZ-OE1 3.43Å
891	E	92.1	Very high	93.3	Very high	105 Å²	105	50.5 Å²	50.5	49%	0.491	28%	0.277	S	S	.	.	S	Bend	trans	-132.9	152.8	-173.1	-67.5	171.2	-162.9	0	0	110.3	I889	I889-E891 VanDerWaalsContact C-N 3.34Å; I889-E891 VanDerWaalsContact CD1-O 3.3Å; I889-E891 WeakPolarHBondContact CD1-O 3.33Å; I889-E891 VanDerWaalsContact CG1-O 3.24Å; I889-E891 WeakPolarHBondContact CG1-O 3.35Å
892	A	94.5	Very high	93.6	Very high	56 Å²	56	45.5 Å²	45.5	46%	0.463	25%	0.249	S	C	.	.			trans	-65.3	150.1	177.2	0	0	0	0	0	112.4	K873 I977 P979	K873-A892 PolarHBondContact NZ-O 2.86Å; A892-I977 WeakPolarHBondContact CA-O 3.37Å; A892-P979 HydrophobicContact CB-CG 4.31Å
893	A	94	Very high	94	Very high	5 Å²	5	41.6 Å²	41.6	4%	0.041	23%	0.226	C	C	.	.	B	Isolated β-bridge	trans	-126.2	133.3	173.6	0	0	0	0	0	111.4	I889 D897 A973 A976 I977	I889-A893 HydrophobicContact CD1-CB 3.96Å; A893-D897 HydrophobicContact CB-CB 4.08Å; A893-A973 HydrophobicContact CB-CB 4.17Å; A893-A976 WeakPolarHBondContact O-CA 3.31Å; A893-I977 HydrophobicContact CB-CB 4.35Å; A893-I977 PolarHBondContact N-O 3.43Å; A893-I977 PolarHBondContact O-N 3.4Å
894	E	94.1	Very high	94.4	Very high	126 Å²	126	38.6 Å²	38.6	59%	0.589	20%	0.201	S	C	*	.			trans	-76.1	160.5	172.6	-68.2	-178.1	-173.6	0	0	111.2	N896 D897 A973	E894-N896 PolarHBondContact O-N 2.88Å; E894-D897 PolarHBondContact N-OD2 3.39Å; E894-D897 WeakPolarHBondContact O-CB 3.35Å; E894-D897 PolarHBondContact O-N 3.42Å; E894-A973 WeakPolarHBondContact O-CB 3.36Å
895	K	94.5	Very high	94.6	Very high	138 Å²	138	36.8 Å²	36.8	60%	0.6	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.3	125.4	174.9	-177.2	172.7	-178.8	176.8	0	110.2	K974	K895-K974 VanDerWaalsContact CE-O 3.31Å; K895-K974 WeakPolarHBondContact CE-O 3.33Å; K895-K974 WeakPolarHBondContact CG-O 3.5Å
896	N	91.6	Very high	94.7	Very high	103 Å²	103	36 Å²	36	55%	0.551	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	70.1	14.3	-171.1	-44.4	-64.7	0	0	0	116.5	E894 A973	E894-N896 PolarHBondContact O-N 2.88Å; N896-A973 WeakPolarHBondContact CA-O 3.29Å; N896-A973 PolarHBondContact N-O 3.06Å
897	D	92.9	Very high	94.6	Very high	39 Å²	39	36 Å²	36	21%	0.209	18%	0.179	C	C	.	.			trans	-60	142.5	164.3	-99.5	-8.4	0	0	0	110.3	K873 A893 E894 F972 A973	K873-D897 VanDerWaalsContact CE-OD2 3.29Å; K873-D897 WeakPolarHBondContact CE-OD2 3.39Å; K873-D897 IonicContact NZ-OD2 2.8Å; K873-D897 PolarHBondContact NZ-OD2 3.23Å; A893-D897 HydrophobicContact CB-CB 4.08Å; E894-D897 PolarHBondContact N-OD2 3.39Å; E894-D897 WeakPolarHBondContact O-CB 3.35Å; E894-D897 PolarHBondContact O-N 3.42Å; D897-F972 CarbonylContact O-C 3.57Å; D897-F972 VanDerWaalsContact O-CA 3.25Å; D897-F972 WeakPolarHBondContact O-CA 3.42Å; D897-A973 PolarHBondContact O-N 3.37Å
898	F	93.8	Very high	94.4	Very high	20 Å²	20	36.8 Å²	36.8	9%	0.088	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	128.3	167.2	174.3	-107.8	0	0	0	109.7	A866 I867 W871 R872 Y900 E901 F972	A866-F898 HydrophobicContact CB-CB 4.05Å; A866-F898 HydrophobicContact CB-CD1 3.56Å; A866-F898 HydrophobicContact CB-CE1 4.13Å; A866-F898 HydrophobicContact CB-CG 3.88Å; I867-F898 HydrophobicContact CD1-CE2 4.27Å; I867-F898 HydrophobicContact CG1-CD2 4.15Å; I867-F898 HydrophobicContact CG1-CE2 3.49Å; I867-F898 VanDerWaalsContact CG1-CE2 3.49Å; I867-F898 HydrophobicContact CG1-CZ 3.76Å; W871-F898 WeakPolarHBondContact O-CD1 3.36Å; R872-F898 HydrophobicContact CB-CE1 4.09Å; F898-Y900 WeakPolarHBondContact CE2-O 3.23Å; F898-E901 HydrophobicContact CZ-CB 4.29Å; F898-F972 HydrophobicContact CB-CD1 4.01Å; F898-F972 HydrophobicContact CB-CE1 3.74Å; F898-F972 HydrophobicContact CD2-CD1 4.37Å; F898-F972 AromaticContact CD2-CE1 3.85Å; F898-F972 HydrophobicContact CD2-CE1 3.85Å; F898-F972 HydrophobicContact CD2-CE2 4.42Å; F898-F972 AromaticContact CD2-CZ 3.86Å; F898-F972 HydrophobicContact CD2-CZ 3.86Å; F898-F972 HydrophobicContact CG-CE1 4.27Å
899	I	94.7	Very high	94.1	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	-54.8	-180	-56.2	174.7	0	0	0	110	R872 K873 L875 I889 C956 I971 A973 I977 L983	R872-I899 CarbonylContact C-O 3.27Å; R872-I899 WeakPolarHBondContact CA-O 3.44Å; R872-I899 VanDerWaalsContact CB-O 3.28Å; R872-I899 WeakPolarHBondContact CB-O 3.33Å; K873-I899 HydrophobicContact CB-CG2 4.31Å; K873-I899 PolarHBondContact N-O 3.21Å; L875-I899 HydrophobicContact CD2-CG2 4.05Å; I889-I899 HydrophobicContact CD1-CG2 4.28Å; I899-C956 WeakPolarHBondContact CD1-SG 3.38Å; I899-I971 PolarHBondContact N-O 2.71Å; I899-A973 HydrophobicContact CD1-CB 4.09Å; I899-A973 HydrophobicContact CG1-CB 4.5Å; I899-I977 HydrophobicContact CD1-CD1 3.97Å; I899-L983 HydrophobicContact CD1-CD1 4.45Å; I899-L983 HydrophobicContact CG2-CD1 3.81Å
900	Y	95	Very high	93.8	Very high	14 Å²	14	43.2 Å²	43.2	6%	0.055	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.4	157.7	-174.7	-130.8	-95.2	0	0	0	111.8	R872 L875 F898 N943 I945 I971	R872-Y900 HydrophobicContact CB-CD2 3.69Å; R872-Y900 HydrophobicContact CB-CE2 4.08Å; R872-Y900 HydrophobicContact CB-CG 4.16Å; R872-Y900 VanDerWaalsContact CD-CE2 3.46Å; R872-Y900 HydrophobicContact CG-CD2 3.9Å; R872-Y900 HydrophobicContact CG-CE2 3.72Å; R872-Y900 PolarHBondContact NE-OH 2.89Å; L875-Y900 HydrophobicContact CD1-CD2 3.36Å; L875-Y900 HydrophobicContact CD1-CE2 3.65Å; L875-Y900 HydrophobicContact CD1-CG 3.94Å; L875-Y900 HydrophobicContact CG-CD2 3.89Å; L875-Y900 HydrophobicContact CG-CE2 3.99Å; F898-Y900 WeakPolarHBondContact CE2-O 3.23Å; Y900-N943 HydrophobicContact CE1-CB 4.11Å; Y900-N943 WeakPolarHBondContact CE1-ND2 3.34Å; Y900-I945 HydrophobicContact CD1-CB 4.02Å; Y900-I945 HydrophobicContact CD1-CG2 3.84Å; Y900-I945 HydrophobicContact CG-CB 4.04Å; Y900-I945 HydrophobicContact CG-CG2 4.22Å; Y900-I971 PolarHBondContact N-O 2.92Å; Y900-I971 PolarHBondContact O-N 2.85Å
901	E	95.6	Very high	93.6	Very high	10 Å²	10	38.5 Å²	38.5	5%	0.047	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	128.7	166.3	-173.5	-177.4	176.1	0	0	107.8	H188 I867 F898 C903 N943 R968 I969	H188-E901 IonicContact ND1-OE2 2.76Å; I867-E901 HydrophobicContact CG2-CB 4.43Å; I867-E901 HydrophobicContact CG2-CG 4.01Å; F898-E901 HydrophobicContact CZ-CB 4.29Å; E901-C903 VanDerWaalsContact CD-SG 3.53Å; E901-C903 VanDerWaalsContact CG-SG 3.53Å; E901-C903 PolarHBondContact O-N 3.29Å; E901-N943 PolarHBondContact O-ND2 2.97Å; E901-R968 WeakPolarHBondContact OE1-CD 3.44Å; E901-R968 WeakPolarHBondContact OE1-CG 3.28Å; E901-R968 IonicContact OE1-CZ 3.65Å; E901-R968 IonicContact OE1-NE 3.32Å; E901-R968 IonicContact OE1-NH1 2.75Å; E901-R968 PolarHBondContact OE1-NH1 3.02Å; E901-R968 IonicContact OE2-NH1 3.45Å; E901-R968 PolarHBondContact OE2-NH1 3.01Å; E901-I969 CarbonylContact C-O 3.51Å; E901-I969 WeakPolarHBondContact CA-O 3.46Å
902	Y	95.4	Very high	93.6	Very high	4 Å²	4	33.7 Å²	33.7	2%	0.016	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	103.6	172	-167.6	-81.4	0	0	0	108	F926 F928 V936 A938 I945 I969 F985	Y902-F926 PolarHBondContact OH-O 2.83Å; Y902-F928 HydrophobicContact CD1-CB 4.28Å; Y902-F928 HydrophobicContact CE1-CB 4.02Å; Y902-V936 HydrophobicContact CD1-CG1 4.15Å; Y902-V936 HydrophobicContact CE1-CG1 4.37Å; Y902-A938 HydrophobicContact CE1-CB 3.64Å; Y902-I945 HydrophobicContact CD2-CG2 4.01Å; Y902-I945 HydrophobicContact CG-CG2 4.45Å; Y902-I969 HydrophobicContact CD1-CD1 4.38Å; Y902-I969 PolarHBondContact N-O 3.43Å; Y902-F985 HydrophobicContact CD2-CZ 4.45Å; Y902-F985 HydrophobicContact CE2-CE1 4.33Å; Y902-F985 HydrophobicContact CE2-CZ 4.04Å
903	C	95.8	Very high	93.3	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	18%	0.181	C	C	.	.			trans	-106.3	142.7	-176.1	-58.8	0	0	0	0	111.6	V186 N189 E901 G942 N943	V186-C903 HydrophobicContact CG2-CB 3.9Å; N189-C903 VanDerWaalsContact OD1-CA 3.23Å; N189-C903 WeakPolarHBondContact OD1-CA 3.31Å; E901-C903 VanDerWaalsContact CD-SG 3.53Å; E901-C903 VanDerWaalsContact CG-SG 3.53Å; E901-C903 PolarHBondContact O-N 3.29Å; C903-G942 WeakPolarHBondContact O-CA 3.32Å; C903-N943 HydrophobicContact CB-CB 4.44Å; C903-N943 VanDerWaalsContact CB-ND2 3.3Å; C903-N943 WeakPolarHBondContact CB-ND2 3.41Å; C903-N943 PolarHBondContact N-ND2 2.94Å; C903-N943 PolarHBondContact SG-ND2 3.35Å
904	G	95.3	Very high	93	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	18%	0.184	C	C	.	.			trans	-163.3	-160.9	173.8	0	0	0	0	0	113.3	N189 F190 D937 K941	N189-G904 WeakPolarHBondContact CA-O 3.35Å; N189-G904 PolarHBondContact OD1-N 3.46Å; N189-G904 PolarHBondContact OD1-O 2.76Å; F190-G904 PolarHBondContact N-O 3.21Å; G904-D937 WeakPolarHBondContact CA-O 3.43Å; G904-K941 VanDerWaalsContact CA-O 3.31Å; G904-K941 WeakPolarHBondContact CA-O 3.39Å
905	E	95.7	Very high	92.8	Very high	6 Å²	6	31.4 Å²	31.4	3%	0.028	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	131.3	169.1	-59	-166.6	148.8	0	0	110	F190 V192 I907 R915 V936 D937 K941	F190-E905 CarbonylContact O-C 3.57Å; F190-E905 WeakPolarHBondContact O-CA 3.49Å; V192-E905 HydrophobicContact CG2-CB 3.83Å; V192-E905 HydrophobicContact CG2-CG 3.92Å; E905-I907 HydrophobicContact CB-CG2 4.35Å; E905-R915 IonicContact OE2-CZ 3.59Å; E905-R915 IonicContact OE2-NH1 2.76Å; E905-R915 PolarHBondContact OE2-NH1 3.43Å; E905-R915 IonicContact OE2-NH2 3.67Å; E905-V936 CarbonylContact O-C 3.54Å; E905-V936 VanDerWaalsContact O-CA 3.3Å; E905-V936 WeakPolarHBondContact O-CA 3.45Å; E905-D937 HydrophobicContact CB-CB 4.48Å; E905-D937 PolarHBondContact N-O 3.04Å; E905-D937 PolarHBondContact O-N 2.87Å; E905-K941 HydrophobicContact CG-CB 3.86Å; E905-K941 HydrophobicContact CG-CD 4.19Å; E905-K941 HydrophobicContact CG-CG 3.92Å; E905-K941 WeakPolarHBondContact OE1-CG 3.49Å; E905-K941 IonicContact OE1-NZ 3.92Å; E905-K941 PolarHBondContact OE1-NZ 2.89Å
906	I	94.5	Very high	92.4	Very high	10 Å²	10	25.3 Å²	25.3	5%	0.051	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	122.4	167.1	-47.8	-171.9	0	0	0	107.6	N189 F190 V192 L520 L930 F934 V935	N189-I906 HydrophobicContact CB-CD1 3.74Å; N189-I906 HydrophobicContact CB-CG1 3.7Å; F190-I906 PolarHBondContact O-N 3.2Å; V192-I906 PolarHBondContact N-O 2.91Å; L520-I906 HydrophobicContact CD1-CD1 3.65Å; I906-L930 HydrophobicContact CD1-CD2 4.44Å; I906-F934 HydrophobicContact CG2-CB 3.64Å; I906-F934 HydrophobicContact CG2-CD1 3.66Å; I906-F934 HydrophobicContact CG2-CG 3.81Å; I906-V935 WeakPolarHBondContact CA-O 3.14Å
907	I	93.3	Very high	92.1	Very high	1 Å²	1	23.6 Å²	23.6	1%	0.005	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	159.6	-179.2	57.3	174.4	0	0	0	110.4	V192 E905 E911 A912 L927 F934 V935 D937	V192-I907 HydrophobicContact CB-CG2 4.28Å; E905-I907 HydrophobicContact CB-CG2 4.35Å; I907-E911 HydrophobicContact CB-CB 4.05Å; I907-E911 HydrophobicContact CB-CG 3.7Å; I907-E911 HydrophobicContact CD1-CG 4.12Å; I907-E911 HydrophobicContact CG1-CG 4.46Å; I907-E911 HydrophobicContact CG2-CG 3.82Å; I907-A912 HydrophobicContact CD1-CB 3.84Å; I907-A912 HydrophobicContact CG1-CB 4.3Å; I907-L927 HydrophobicContact CD1-CD2 4.09Å; I907-F934 VanDerWaalsContact O-CA 3.3Å; I907-F934 WeakPolarHBondContact O-CA 3.43Å; I907-V935 HydrophobicContact CG1-CB 4.14Å; I907-V935 PolarHBondContact N-O 2.94Å; I907-V935 PolarHBondContact O-N 3.21Å; I907-D937 HydrophobicContact CD1-CB 3.75Å; I907-D937 HydrophobicContact CG1-CB 4.33Å
908	S	92.8	Very high	91.7	Very high	16 Å²	16	23.2 Å²	23.2	11%	0.112	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	167.5	171.5	77.4	0	0	0	0	111.5	D194 D910 E911 A912	D194-S908 VanDerWaalsContact CG-OG 3.27Å; D194-S908 WeakPolarHBondContact OD1-CB 3.39Å; D194-S908 PolarHBondContact OD1-OG 3.19Å; D194-S908 WeakPolarHBondContact OD2-CB 3.28Å; D194-S908 PolarHBondContact OD2-OG 3.1Å; S908-D910 VanDerWaalsContact C-N 3.34Å; S908-D910 PolarHBondContact OG-N 2.82Å; S908-E911 VanDerWaalsContact OG-CB 3.3Å; S908-E911 WeakPolarHBondContact OG-CB 3.5Å; S908-E911 PolarHBondContact OG-N 3.16Å; S908-A912 WeakPolarHBondContact O-CB 3.19Å; S908-A912 PolarHBondContact O-N 2.78Å
909	Q	90	Very high	91.3	Very high	51 Å²	51	23.3 Å²	23.3	24%	0.238	12%	0.118	C	C	.	.	H	α-helix	trans	-64.1	-39.7	168.6	-66	-69.8	-2.4	0	0	111.4	E911 A912 D913 N929 N931 R932	Q909-E911 VanDerWaalsContact C-N 3.29Å; Q909-E911 PolarHBondContact O-N 3.19Å; Q909-A912 WeakPolarHBondContact O-CB 3.47Å; Q909-A912 PolarHBondContact O-N 2.78Å; Q909-A912 VanDerWaalsContact O-N 3.14Å; Q909-D913 PolarHBondContact O-N 3.15Å; Q909-N929 PolarHBondContact NE2-OD1 3.01Å; Q909-N931 PolarHBondContact NE2-O 3.33Å; Q909-R932 WeakPolarHBondContact CG-O 3.39Å; Q909-R932 PolarHBondContact NE2-O 3.01Å
910	D	89.7	Confident	90.8	Very high	104 Å²	104	26.9 Å²	26.9	56%	0.556	14%	0.137	S	C	*	.	H	α-helix	trans	-65.2	-31.9	-179.9	-55.4	-55.4	0	0	0	112.6	S908 R914	S908-D910 VanDerWaalsContact C-N 3.34Å; S908-D910 PolarHBondContact OG-N 2.82Å; D910-R914 WeakPolarHBondContact O-CB 3.49Å; D910-R914 PolarHBondContact O-N 2.88Å; D910-R914 PolarHBondContact O-NE 2.95Å; D910-R914 PolarHBondContact O-NH2 2.97Å
911	E	90.7	Very high	89.9	Confident	0 Å²	0	29.7 Å²	29.7	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-77.3	-36.6	174.2	177.4	71.6	-162.7	0	0	110.7	D194 E195 I907 S908 Q909 R914 R915	D194-E911 WeakPolarHBondContact CA-OE2 3.49Å; E195-E911 PolarHBondContact N-OE2 3.4Å; I907-E911 HydrophobicContact CB-CB 4.05Å; I907-E911 HydrophobicContact CB-CG 3.7Å; I907-E911 HydrophobicContact CD1-CG 4.12Å; I907-E911 HydrophobicContact CG1-CG 4.46Å; I907-E911 HydrophobicContact CG2-CG 3.82Å; S908-E911 VanDerWaalsContact OG-CB 3.3Å; S908-E911 WeakPolarHBondContact OG-CB 3.5Å; S908-E911 PolarHBondContact OG-N 3.16Å; Q909-E911 VanDerWaalsContact C-N 3.29Å; Q909-E911 PolarHBondContact O-N 3.19Å; E911-R914 VanDerWaalsContact CA-NH2 3.34Å; E911-R914 PolarHBondContact O-N 3.31Å; E911-R914 IonicContact OE2-CZ 3.93Å; E911-R914 IonicContact OE2-NH1 2.67Å; E911-R914 PolarHBondContact OE2-NH1 3.4Å; E911-R914 IonicContact OE2-NH2 3.67Å; E911-R915 WeakPolarHBondContact O-CB 3.29Å; E911-R915 WeakPolarHBondContact O-CG 3.33Å; E911-R915 PolarHBondContact O-N 2.96Å; E911-R915 IonicContact OE1-CZ 2.58Å; E911-R915 IonicContact OE1-NE 3.86Å; E911-R915 PolarHBondContact OE1-NE 3.14Å; E911-R915 IonicContact OE1-NH2 2.74Å; E911-R915 PolarHBondContact OE1-NH2 3.35Å
912	A	91.3	Very high	89	Confident	5 Å²	5	33.2 Å²	33.2	4%	0.041	17%	0.172	C	C	.	.	H	α-helix	trans	-64.2	-41.1	173.8	0	0	0	0	0	111.9	I907 S908 Q909 R915 G916 V935	I907-A912 HydrophobicContact CD1-CB 3.84Å; I907-A912 HydrophobicContact CG1-CB 4.3Å; S908-A912 WeakPolarHBondContact O-CB 3.19Å; S908-A912 PolarHBondContact O-N 2.78Å; Q909-A912 WeakPolarHBondContact O-CB 3.47Å; Q909-A912 PolarHBondContact O-N 2.78Å; Q909-A912 VanDerWaalsContact O-N 3.14Å; A912-R915 PolarHBondContact O-N 3.47Å; A912-G916 WeakPolarHBondContact O-CA 3.5Å; A912-G916 PolarHBondContact O-N 2.64Å; A912-V935 HydrophobicContact CB-CB 3.83Å; A912-V935 HydrophobicContact CB-CG1 4.11Å; A912-V935 HydrophobicContact CB-CG2 3.6Å
913	D	88.9	Confident	88.1	Confident	107 Å²	107	38 Å²	38	57%	0.572	20%	0.195	S	C	*	.	H	α-helix	trans	-66.6	-42.5	174.4	-79.8	-8.6	0	0	0	111.8	Q909 R915 G916 K917	Q909-D913 PolarHBondContact O-N 3.15Å; D913-R915 PolarHBondContact O-N 3.23Å; D913-G916 PolarHBondContact O-N 2.85Å; D913-K917 WeakPolarHBondContact O-CG 3.46Å; D913-K917 PolarHBondContact O-N 3.38Å
914	R	87.4	Confident	87.3	Confident	30 Å²	30	40.5 Å²	40.5	11%	0.113	21%	0.213	C	C	.	.	H	α-helix	trans	-58.6	-45.5	174.1	-91.7	173.6	-76.9	141.6	2	112.3	D194 E195 N222 Y223 D910 E911	D194-R914 IonicContact OD2-CZ 2.89Å; D194-R914 IonicContact OD2-NH2 2.67Å; D194-R914 PolarHBondContact OD2-NH2 3.44Å; E195-R914 PolarHBondContact O-NH1 3.15Å; N222-R914 HydrophobicContact CB-CG 3.92Å; N222-R914 WeakPolarHBondContact O-CD 3.4Å; Y223-R914 HydrophobicContact CE2-CB 4.5Å; Y223-R914 HydrophobicContact CE2-CG 4.26Å; D910-R914 WeakPolarHBondContact O-CB 3.49Å; D910-R914 PolarHBondContact O-N 2.88Å; D910-R914 PolarHBondContact O-NE 2.95Å; D910-R914 PolarHBondContact O-NH2 2.97Å; E911-R914 VanDerWaalsContact CA-NH2 3.34Å; E911-R914 PolarHBondContact O-N 3.31Å; E911-R914 IonicContact OE2-CZ 3.93Å; E911-R914 IonicContact OE2-NH1 2.67Å; E911-R914 PolarHBondContact OE2-NH1 3.4Å; E911-R914 IonicContact OE2-NH2 3.67Å
915	R	89.9	Confident	86.8	Confident	2 Å²	2	41.5 Å²	41.5	1%	0.008	22%	0.22	C	C	.	.	H	α-helix	trans	-70.7	-40.8	176	-70.5	-179.4	-170.8	-160.5	7	112.4	E905 E911 A912 D913 K917 I918 Y919 D937	E905-R915 IonicContact OE2-CZ 3.59Å; E905-R915 IonicContact OE2-NH1 2.76Å; E905-R915 PolarHBondContact OE2-NH1 3.43Å; E905-R915 IonicContact OE2-NH2 3.67Å; E911-R915 WeakPolarHBondContact O-CB 3.29Å; E911-R915 WeakPolarHBondContact O-CG 3.33Å; E911-R915 PolarHBondContact O-N 2.96Å; E911-R915 IonicContact OE1-CZ 2.58Å; E911-R915 IonicContact OE1-NE 3.86Å; E911-R915 PolarHBondContact OE1-NE 3.14Å; E911-R915 IonicContact OE1-NH2 2.74Å; E911-R915 PolarHBondContact OE1-NH2 3.35Å; A912-R915 PolarHBondContact O-N 3.47Å; D913-R915 PolarHBondContact O-N 3.23Å; R915-K917 VanDerWaalsContact C-N 3.3Å; R915-K917 PolarHBondContact O-N 3.49Å; R915-I918 WeakPolarHBondContact O-CA 3.47Å; R915-I918 WeakPolarHBondContact O-CB 3.49Å; R915-I918 PolarHBondContact O-N 3.14Å; R915-Y919 HydrophobicContact CB-CD2 4.14Å; R915-Y919 HydrophobicContact CB-CE2 3.67Å; R915-Y919 HydrophobicContact CG-CE2 4.47Å; R915-Y919 PolarHBondContact O-N 2.84Å; R915-D937 IonicContact CZ-OD2 3.18Å; R915-D937 IonicContact NH1-OD2 3.82Å; R915-D937 PolarHBondContact NH1-OD2 3.36Å
916	G	87.1	Confident	86.5	Confident	10 Å²	10	42.9 Å²	42.9	10%	0.103	23%	0.226	C	C	.	.	H	α-helix	trans	-53.3	-44.8	-178.4	0	0	0	0	0	112.4	A912 D913 I918 Y919 D920	A912-G916 WeakPolarHBondContact O-CA 3.5Å; A912-G916 PolarHBondContact O-N 2.64Å; D913-G916 PolarHBondContact O-N 2.85Å; G916-I918 VanDerWaalsContact C-N 3.27Å; G916-I918 PolarHBondContact O-N 3.03Å; G916-Y919 PolarHBondContact O-N 3.44Å; G916-D920 WeakPolarHBondContact O-CB 3.25Å; G916-D920 PolarHBondContact O-N 3.22Å
917	K	84	Confident	86.4	Confident	67 Å²	67	44.7 Å²	44.7	29%	0.291	24%	0.236	S	C	.	.	H	α-helix	trans	-57.3	-36.9	175.9	-67	178.2	-174.6	-163.1	0	113.4	F215 E218 N222 D913 R915 K921	F215-K917 WeakPolarHBondContact CE2-O 3.31Å; E218-K917 WeakPolarHBondContact OE1-CE 3.29Å; E218-K917 IonicContact OE1-NZ 2.79Å; E218-K917 PolarHBondContact OE1-NZ 3.06Å; N222-K917 WeakPolarHBondContact ND2-CD 3.43Å; N222-K917 PolarHBondContact OD1-NZ 3.4Å; D913-K917 WeakPolarHBondContact O-CG 3.46Å; D913-K917 PolarHBondContact O-N 3.38Å; R915-K917 VanDerWaalsContact C-N 3.3Å; R915-K917 PolarHBondContact O-N 3.49Å; K917-K921 PolarHBondContact O-N 2.82Å
918	I	84.6	Confident	86.2	Confident	30 Å²	30	46.6 Å²	46.6	15%	0.154	24%	0.244	C	C	.	.	H	α-helix	trans	-72.6	-45.2	174.2	-53.1	176.3	0	0	0	109.8	P202 L219 R915 G916 K921 T922	P202-I918 HydrophobicContact CG-CD1 4.49Å; P202-I918 HydrophobicContact CG-CG2 4.37Å; L219-I918 HydrophobicContact CD1-CD1 4.05Å; L219-I918 HydrophobicContact CD1-CG1 3.87Å; R915-I918 WeakPolarHBondContact O-CA 3.47Å; R915-I918 WeakPolarHBondContact O-CB 3.49Å; R915-I918 PolarHBondContact O-N 3.14Å; G916-I918 VanDerWaalsContact C-N 3.27Å; G916-I918 PolarHBondContact O-N 3.03Å; I918-K921 PolarHBondContact O-N 2.78Å; I918-T922 PolarHBondContact O-N 3.39Å; I918-T922 PolarHBondContact O-OG1 3.36Å
919	Y	86.6	Confident	86.2	Confident	22 Å²	22	50.2 Å²	50.2	9%	0.086	26%	0.262	C	S	.	.	H	α-helix	trans	-63.8	-42.3	-176.2	-66.1	-12.6	0	0	0	113.1	R915 G916 K921 T922 M923 S924 L927 D937 T939	R915-Y919 HydrophobicContact CB-CD2 4.14Å; R915-Y919 HydrophobicContact CB-CE2 3.67Å; R915-Y919 HydrophobicContact CG-CE2 4.47Å; R915-Y919 PolarHBondContact O-N 2.84Å; G916-Y919 PolarHBondContact O-N 3.44Å; Y919-K921 PolarHBondContact O-N 2.98Å; Y919-T922 WeakPolarHBondContact CA-OG1 3.18Å; Y919-T922 CarbonylContact O-C 3.37Å; Y919-T922 PolarHBondContact O-N 2.71Å; Y919-T922 PolarHBondContact O-OG1 2.89Å; Y919-M923 PolarHBondContact O-N 2.84Å; Y919-S924 WeakPolarHBondContact CB-O 3.37Å; Y919-S924 PolarHBondContact O-N 2.93Å; Y919-L927 HydrophobicContact CD2-CD1 4.1Å; Y919-L927 HydrophobicContact CD2-CD2 4.3Å; Y919-L927 HydrophobicContact CD2-CG 4Å; Y919-L927 HydrophobicContact CE2-CD2 4.04Å; Y919-L927 HydrophobicContact CE2-CG 4.25Å; Y919-D937 PolarHBondContact OH-OD2 2.92Å; Y919-T939 HydrophobicContact CE1-CG2 3.95Å; Y919-T939 HydrophobicContact CE2-CG2 4.47Å; Y919-T939 WeakPolarHBondContact CE2-OG1 3.48Å; Y919-T939 WeakPolarHBondContact OH-CB 3.2Å
920	D	82.6	Confident	86.1	Confident	76 Å²	76	47.9 Å²	47.9	41%	0.406	25%	0.251	S	S	.	.	H	α-helix	trans	-58.2	-45.3	171.5	-75.5	-19.2	0	0	0	111.7	G916 T922 M923	G916-D920 WeakPolarHBondContact O-CB 3.25Å; G916-D920 PolarHBondContact O-N 3.22Å; D920-T922 VanDerWaalsContact C-N 3.35Å; D920-M923 PolarHBondContact O-N 3.05Å
921	K	76.6	Confident	86.1	Confident	73 Å²	73	43 Å²	43	32%	0.317	23%	0.225	S	C	.	.	H	α-helix	trans	-68.8	-32.8	178.9	-178.9	60.5	-174.8	-169.2	0	112.3	M204 D212 F215 K917 I918 Y919 M923	M204-K921 HydrophobicContact CE-CB 4.49Å; M204-K921 HydrophobicContact CE-CG 3.63Å; M204-K921 HydrophobicContact SD-CD 4.35Å; M204-K921 VanDerWaalsContact SD-CE 3.57Å; M204-K921 HydrophobicContact SD-CG 3.77Å; D212-K921 WeakPolarHBondContact OD1-CE 3.14Å; D212-K921 IonicContact OD1-NZ 3.55Å; D212-K921 PolarHBondContact OD1-NZ 2.85Å; D212-K921 WeakPolarHBondContact OD2-CE 3.4Å; D212-K921 IonicContact OD2-NZ 2.74Å; D212-K921 PolarHBondContact OD2-NZ 2.88Å; F215-K921 HydrophobicContact CE2-CB 4.07Å; F215-K921 HydrophobicContact CE2-CG 4.34Å; F215-K921 HydrophobicContact CZ-CB 4.33Å; F215-K921 HydrophobicContact CZ-CG 4.4Å; K917-K921 PolarHBondContact O-N 2.82Å; I918-K921 PolarHBondContact O-N 2.78Å; Y919-K921 PolarHBondContact O-N 2.98Å; K921-M923 VanDerWaalsContact C-N 3.26Å
922	T	77.9	Confident	85.9	Confident	83 Å²	83	49.1 Å²	49.1	51%	0.509	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.7	0.7	170.1	57.4	0	0	0	0	114.1	I918 Y919 D920 S924	I918-T922 PolarHBondContact O-N 3.39Å; I918-T922 PolarHBondContact O-OG1 3.36Å; Y919-T922 WeakPolarHBondContact CA-OG1 3.18Å; Y919-T922 CarbonylContact O-C 3.37Å; Y919-T922 PolarHBondContact O-N 2.71Å; Y919-T922 PolarHBondContact O-OG1 2.89Å; D920-T922 VanDerWaalsContact C-N 3.35Å; T922-S924 PolarHBondContact O-N 3.26Å
923	M	75.4	Confident	85.7	Confident	104 Å²	104	51.4 Å²	51.4	51%	0.512	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.2	33.1	-178.1	-59.1	-74.2	-78.8	0	0	114	Y919 D920 K921 K996 Y997	Y919-M923 PolarHBondContact O-N 2.84Å; D920-M923 PolarHBondContact O-N 3.05Å; K921-M923 VanDerWaalsContact C-N 3.26Å; M923-K996 HydrophobicContact CE-CB 4.2Å; M923-Y997 HydrophobicContact CB-CE1 4.01Å; M923-Y997 HydrophobicContact CE-CD1 4.32Å; M923-Y997 HydrophobicContact CE-CE1 3.89Å; M923-Y997 HydrophobicContact SD-CE1 3.85Å
924	S	79.4	Confident	85.9	Confident	54 Å²	54	48.1 Å²	48.1	38%	0.378	24%	0.241	S	C	.	.			trans	-150.1	105.5	-176.6	-164.4	0	0	0	0	111.3	Y919 T922 F926	Y919-S924 WeakPolarHBondContact CB-O 3.37Å; Y919-S924 PolarHBondContact O-N 2.93Å; T922-S924 PolarHBondContact O-N 3.26Å; S924-F926 WeakPolarHBondContact OG-CE2 3.37Å
925	S	84.6	Confident	86.2	Confident	21 Å²	21	46.8 Å²	46.8	15%	0.147	24%	0.236	C	C	.	.			trans	-117.4	133.9	178.7	-175.3	0	0	0	0	111.5	L927	S925-L927 PolarHBondContact OG-N 2.9Å
926	F	89.8	Confident	86.4	Confident	34 Å²	34	46.7 Å²	46.7	15%	0.149	24%	0.235	C	C	.	.			trans	-120.6	28.2	172.7	-57.3	-89.8	0	0	0	111.5	Y902 S924 A938 T939	Y902-F926 PolarHBondContact OH-O 2.83Å; S924-F926 WeakPolarHBondContact OG-CE2 3.37Å; F926-A938 HydrophobicContact CB-CB 4.1Å; F926-A938 PolarHBondContact O-N 3.03Å; F926-T939 HydrophobicContact CD2-CG2 4.32Å
927	L	91.1	Very high	86.8	Confident	49 Å²	49	46.2 Å²	46.2	26%	0.257	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	123.2	177.8	-62	178.6	0	0	0	110.7	I907 Y919 S925 V935 D937	I907-L927 HydrophobicContact CD1-CD2 4.09Å; Y919-L927 HydrophobicContact CD2-CD1 4.1Å; Y919-L927 HydrophobicContact CD2-CD2 4.3Å; Y919-L927 HydrophobicContact CD2-CG 4Å; Y919-L927 HydrophobicContact CE2-CD2 4.04Å; Y919-L927 HydrophobicContact CE2-CG 4.25Å; S925-L927 PolarHBondContact OG-N 2.9Å; L927-V935 HydrophobicContact CB-CG1 4.08Å; L927-V935 HydrophobicContact CD2-CG1 4.24Å; L927-D937 HydrophobicContact CD2-CB 3.62Å
928	F	90.6	Very high	87.3	Confident	40 Å²	40	43 Å²	43	18%	0.175	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	115.8	175.5	-160.1	-65.9	0	0	0	110.9	Y902 L930 V935 V936 A958 I969 F985	Y902-F928 HydrophobicContact CD1-CB 4.28Å; Y902-F928 HydrophobicContact CE1-CB 4.02Å; F928-L930 PolarHBondContact O-N 3.35Å; F928-V935 WeakPolarHBondContact O-CG1 3.37Å; F928-V936 PolarHBondContact N-O 3.04Å; F928-V936 PolarHBondContact O-N 2.87Å; F928-A958 HydrophobicContact CE2-CB 3.64Å; F928-A958 HydrophobicContact CZ-CB 3.45Å; F928-A958 VanDerWaalsContact CZ-CB 3.45Å; F928-I969 HydrophobicContact CB-CD1 3.93Å; F928-I969 HydrophobicContact CD1-CD1 3.33Å; F928-I969 HydrophobicContact CD1-CG1 3.77Å; F928-I969 HydrophobicContact CD1-CG2 4.35Å; F928-I969 HydrophobicContact CE1-CD1 4.06Å; F928-I969 HydrophobicContact CE1-CG1 3.97Å; F928-I969 HydrophobicContact CE1-CG2 4.09Å; F928-I969 HydrophobicContact CE2-CG2 4.42Å; F928-I969 HydrophobicContact CG-CD1 3.73Å; F928-I969 HydrophobicContact CG-CG1 4.49Å; F928-I969 HydrophobicContact CZ-CG2 4.14Å; F928-F985 HydrophobicContact CD2-CE2 4.14Å; F928-F985 HydrophobicContact CE2-CD2 4.44Å; F928-F985 AromaticContact CE2-CE2 3.81Å; F928-F985 HydrophobicContact CE2-CE2 3.81Å
929	N	91.1	Very high	87.7	Confident	92 Å²	92	42.9 Å²	42.9	49%	0.492	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.2	116.1	179.3	-102	-68.4	0	0	0	111.9	Q909	Q909-N929 PolarHBondContact NE2-OD1 3.01Å
930	L	89.7	Confident	87.9	Confident	2 Å²	2	46.2 Å²	46.2	1%	0.01	23%	0.23	C	C	.	.			trans	-93.7	-47.3	-174	-177.9	68	0	0	0	112	I906 F928 F934 V936 V960 H967 I969	I906-L930 HydrophobicContact CD1-CD2 4.44Å; F928-L930 PolarHBondContact O-N 3.35Å; L930-F934 WeakPolarHBondContact CB-O 3.34Å; L930-F934 PolarHBondContact N-O 3.17Å; L930-V936 HydrophobicContact CB-CG2 4.1Å; L930-V936 HydrophobicContact CD1-CG2 4.24Å; L930-V936 HydrophobicContact CD2-CG2 3.92Å; L930-V936 HydrophobicContact CG-CG2 4.31Å; L930-V960 HydrophobicContact CD1-CG1 4.34Å; L930-V960 WeakPolarHBondContact O-CG1 3.37Å; L930-H967 HydrophobicContact CD1-CB 3.87Å; L930-H967 HydrophobicContact CD2-CB 4.03Å; L930-H967 HydrophobicContact CG-CB 3.77Å; L930-I969 HydrophobicContact CD1-CD1 3.93Å; L930-I969 HydrophobicContact CD1-CG1 3.71Å
931	N	88	Confident	88.5	Confident	1 Å²	1	44.9 Å²	44.9	1%	0.005	22%	0.22	C	C	.	.	S	Bend	trans	-158.2	-175.8	177.6	60.4	81	0	0	0	108.6	C757 A759 Q909 D933 F934	C757-N931 CarbonylContact O-C 3.47Å; C757-N931 WeakPolarHBondContact O-CA 3.29Å; A759-N931 WeakPolarHBondContact O-CB 3.47Å; Q909-N931 PolarHBondContact NE2-O 3.33Å; N931-D933 PolarHBondContact O-N 3.28Å; N931-D933 PolarHBondContact OD1-N 3.14Å; N931-F934 PolarHBondContact N-O 2.84Å; N931-F934 VanDerWaalsContact O-O 3.13Å; N931-F934 PolarHBondContact OD1-N 3.28Å
932	R	87.1	Confident	89.3	Confident	129 Å²	129	41.4 Å²	41.4	49%	0.487	21%	0.205	S	C	.	.	S	Bend	trans	-59.9	-34.1	-178.9	-74.8	-178.9	169.1	176.9	-0.1	114.2	C757 F758 A759 H760 Q909	C757-R932 PolarHBondContact O-N 3.02Å; F758-R932 WeakPolarHBondContact O-CD 3.2Å; F758-R932 PolarHBondContact O-NE 3.09Å; F758-R932 VanDerWaalsContact O-NE 3.1Å; A759-R932 PolarHBondContact O-N 3.44Å; H760-R932 WeakPolarHBondContact CE1-CD 3.2Å; H760-R932 VanDerWaalsContact NE2-CD 3.31Å; H760-R932 WeakPolarHBondContact NE2-CD 3.28Å; H760-R932 PolarHBondContact NE2-NH1 3.4Å; Q909-R932 WeakPolarHBondContact CG-O 3.39Å; Q909-R932 PolarHBondContact NE2-O 3.01Å
933	D	88.3	Confident	90.1	Very high	54 Å²	54	37.7 Å²	37.7	29%	0.289	18%	0.182	S	C	.	.	S	Bend	trans	-98	-16.9	-167.3	-41.1	-44.4	0	0	0	112.3	H760 H761 N931	H760-D933 WeakPolarHBondContact CA-OD2 3.41Å; H760-D933 WeakPolarHBondContact CB-OD2 3.19Å; H760-D933 IonicContact CE1-OD1 3.19Å; H760-D933 IonicContact CG-OD1 3.75Å; H760-D933 IonicContact CG-OD2 3.68Å; H760-D933 IonicContact ND1-OD1 2.78Å; H760-D933 PolarHBondContact ND1-OD1 3.32Å; H760-D933 IonicContact ND1-OD2 2.72Å; H761-D933 PolarHBondContact N-OD2 3.11Å; N931-D933 PolarHBondContact O-N 3.28Å; N931-D933 PolarHBondContact OD1-N 3.14Å
934	F	92.3	Very high	91	Very high	37 Å²	37	34.4 Å²	34.4	16%	0.162	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	148.6	-171.5	-62	-79.6	0	0	0	114.4	H761 I906 I907 L930 N931	H761-F934 HydrophobicContact CB-CD2 3.86Å; H761-F934 HydrophobicContact CB-CE2 3.67Å; H761-F934 AromaticContact CG-CD2 3.95Å; H761-F934 AromaticContact CG-CE2 3.64Å; H761-F934 AromaticContact ND1-CD2 3.51Å; H761-F934 AromaticContact ND1-CE2 3.47Å; H761-F934 WeakPolarHBondContact ND1-CE2 3.33Å; I906-F934 HydrophobicContact CG2-CB 3.64Å; I906-F934 HydrophobicContact CG2-CD1 3.66Å; I906-F934 HydrophobicContact CG2-CG 3.81Å; I907-F934 VanDerWaalsContact O-CA 3.3Å; I907-F934 WeakPolarHBondContact O-CA 3.43Å; L930-F934 WeakPolarHBondContact CB-O 3.34Å; L930-F934 PolarHBondContact N-O 3.17Å; N931-F934 PolarHBondContact N-O 2.84Å; N931-F934 VanDerWaalsContact O-O 3.13Å; N931-F934 PolarHBondContact OD1-N 3.28Å
935	V	93.2	Very high	91.8	Very high	2 Å²	2	31.9 Å²	31.9	1%	0.012	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	151.4	174.1	-176.4	0	0	0	0	109.5	I906 I907 A912 L927 F928	I906-V935 WeakPolarHBondContact CA-O 3.14Å; I907-V935 HydrophobicContact CG1-CB 4.14Å; I907-V935 PolarHBondContact N-O 2.94Å; I907-V935 PolarHBondContact O-N 3.21Å; A912-V935 HydrophobicContact CB-CB 3.83Å; A912-V935 HydrophobicContact CB-CG1 4.11Å; A912-V935 HydrophobicContact CB-CG2 3.6Å; L927-V935 HydrophobicContact CB-CG1 4.08Å; L927-V935 HydrophobicContact CD2-CG1 4.24Å; F928-V935 WeakPolarHBondContact O-CG1 3.37Å
936	V	94.4	Very high	92.2	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	115.4	168.2	173.3	0	0	0	0	109.2	Y902 E905 F928 L930 I969	Y902-V936 HydrophobicContact CD1-CG1 4.15Å; Y902-V936 HydrophobicContact CE1-CG1 4.37Å; E905-V936 CarbonylContact O-C 3.54Å; E905-V936 VanDerWaalsContact O-CA 3.3Å; E905-V936 WeakPolarHBondContact O-CA 3.45Å; F928-V936 PolarHBondContact N-O 3.04Å; F928-V936 PolarHBondContact O-N 2.87Å; L930-V936 HydrophobicContact CB-CG2 4.1Å; L930-V936 HydrophobicContact CD1-CG2 4.24Å; L930-V936 HydrophobicContact CD2-CG2 3.92Å; L930-V936 HydrophobicContact CG-CG2 4.31Å; V936-I969 HydrophobicContact CB-CD1 3.98Å; V936-I969 HydrophobicContact CG1-CD1 4.49Å; V936-I969 HydrophobicContact CG2-CD1 3.95Å
937	D	94.7	Very high	92.5	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	107.9	173.9	175.2	21.8	0	0	0	110.3	G904 E905 I907 R915 Y919 L927 T939	G904-D937 WeakPolarHBondContact CA-O 3.43Å; E905-D937 HydrophobicContact CB-CB 4.48Å; E905-D937 PolarHBondContact N-O 3.04Å; E905-D937 PolarHBondContact O-N 2.87Å; I907-D937 HydrophobicContact CD1-CB 3.75Å; I907-D937 HydrophobicContact CG1-CB 4.33Å; R915-D937 IonicContact CZ-OD2 3.18Å; R915-D937 IonicContact NH1-OD2 3.82Å; R915-D937 PolarHBondContact NH1-OD2 3.36Å; Y919-D937 PolarHBondContact OH-OD2 2.92Å; L927-D937 HydrophobicContact CD2-CB 3.62Å; D937-T939 VanDerWaalsContact C-N 3.26Å; D937-T939 PolarHBondContact O-N 3.19Å; D937-T939 WeakPolarHBondContact OD1-CB 3.43Å; D937-T939 PolarHBondContact OD1-N 2.91Å; D937-T939 PolarHBondContact OD1-OG1 2.71Å
938	A	95	Very high	92.6	Very high	0 Å²	0	28 Å²	28	0%	0	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.2	3.9	176.2	0	0	0	0	0	113.8	Y902 F926 K941 R946	Y902-A938 HydrophobicContact CE1-CB 3.64Å; F926-A938 HydrophobicContact CB-CB 4.1Å; F926-A938 PolarHBondContact O-N 3.03Å; A938-K941 CarbonylContact C-O 3.19Å; A938-K941 VanDerWaalsContact C-O 3.32Å; A938-K941 VanDerWaalsContact CA-O 3.28Å; A938-K941 WeakPolarHBondContact CA-O 3.29Å; A938-R946 HydrophobicContact CB-CB 4.14Å; A938-R946 PolarHBondContact O-NH1 2.86Å
939	T	92.5	Very high	92.7	Very high	27 Å²	27	27.7 Å²	27.7	17%	0.166	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-58	-171	-53.7	0	0	0	0	112.6	Y919 F926 D937 R946	Y919-T939 HydrophobicContact CE1-CG2 3.95Å; Y919-T939 HydrophobicContact CE2-CG2 4.47Å; Y919-T939 WeakPolarHBondContact CE2-OG1 3.48Å; Y919-T939 WeakPolarHBondContact OH-CB 3.2Å; F926-T939 HydrophobicContact CD2-CG2 4.32Å; D937-T939 VanDerWaalsContact C-N 3.26Å; D937-T939 PolarHBondContact O-N 3.19Å; D937-T939 WeakPolarHBondContact OD1-CB 3.43Å; D937-T939 PolarHBondContact OD1-N 2.91Å; D937-T939 PolarHBondContact OD1-OG1 2.71Å; T939-R946 PolarHBondContact O-NH1 2.84Å; T939-R946 PolarHBondContact O-NH2 3.1Å
940	R	92	Very high	92.6	Very high	93 Å²	93	24.8 Å²	24.8	35%	0.351	11%	0.109	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-44.3	-175.2	-54.6	-176.2	-173.8	-168.1	1.9	112.7	W183 A184 E195	W183-R940 WeakPolarHBondContact CA-O 3.26Å; A184-R940 PolarHBondContact N-O 2.71Å; E195-R940 VanDerWaalsContact CD-NH2 3.33Å; E195-R940 IonicContact OE1-CZ 3.36Å; E195-R940 IonicContact OE1-NH1 2.8Å; E195-R940 PolarHBondContact OE1-NH1 3.4Å; E195-R940 IonicContact OE1-NH2 3.76Å; E195-R940 PolarHBondContact OE1-NH2 3.36Å; E195-R940 IonicContact OE2-CZ 2.7Å; E195-R940 IonicContact OE2-NH1 3.22Å; E195-R940 IonicContact OE2-NH2 2.71Å; E195-R940 PolarHBondContact OE2-NH2 3.41Å
941	K	94.1	Very high	92.5	Very high	48 Å²	48	25.4 Å²	25.4	21%	0.209	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	134.5	173.2	-53.5	-170.1	-173.2	87	0	107.6	A184 V186 F190 G904 E905 A938	A184-K941 HydrophobicContact CB-CG 4.19Å; A184-K941 WeakPolarHBondContact O-CA 3.49Å; V186-K941 HydrophobicContact CG1-CB 3.91Å; V186-K941 HydrophobicContact CG1-CD 4.2Å; F190-K941 HydrophobicContact CB-CD 4.42Å; F190-K941 HydrophobicContact CD1-CD 4.28Å; F190-K941 HydrophobicContact CG-CD 4.16Å; G904-K941 VanDerWaalsContact CA-O 3.31Å; G904-K941 WeakPolarHBondContact CA-O 3.39Å; E905-K941 HydrophobicContact CG-CB 3.86Å; E905-K941 HydrophobicContact CG-CD 4.19Å; E905-K941 HydrophobicContact CG-CG 3.92Å; E905-K941 WeakPolarHBondContact OE1-CG 3.49Å; E905-K941 IonicContact OE1-NZ 3.92Å; E905-K941 PolarHBondContact OE1-NZ 2.89Å; A938-K941 CarbonylContact C-O 3.19Å; A938-K941 VanDerWaalsContact C-O 3.32Å; A938-K941 VanDerWaalsContact CA-O 3.28Å; A938-K941 WeakPolarHBondContact CA-O 3.29Å
942	G	94.7	Very high	92.4	Very high	0 Å²	0	29 Å²	29	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.6	-168.1	-175.2	0	0	0	0	0	112.8	W183 A184 P185 V186 C903	W183-G942 WeakPolarHBondContact CZ3-O 3.09Å; A184-G942 PolarHBondContact O-N 2.57Å; P185-G942 CarbonylContact C-O 3.42Å; P185-G942 WeakPolarHBondContact CA-O 3.14Å; V186-G942 WeakPolarHBondContact CG2-O 3.39Å; V186-G942 PolarHBondContact N-O 3.42Å; C903-G942 WeakPolarHBondContact O-CA 3.32Å
943	N	94.5	Very high	92.5	Very high	5 Å²	5	28.6 Å²	28.6	3%	0.027	14%	0.143	C	C	.	.			trans	-143.8	176.5	172.2	69.8	8.6	0	0	0	111.5	V186 Y900 E901 C903 I945 R946	V186-N943 WeakPolarHBondContact O-CB 3.3Å; Y900-N943 HydrophobicContact CE1-CB 4.11Å; Y900-N943 WeakPolarHBondContact CE1-ND2 3.34Å; E901-N943 PolarHBondContact O-ND2 2.97Å; C903-N943 HydrophobicContact CB-CB 4.44Å; C903-N943 VanDerWaalsContact CB-ND2 3.3Å; C903-N943 WeakPolarHBondContact CB-ND2 3.41Å; C903-N943 PolarHBondContact N-ND2 2.94Å; C903-N943 PolarHBondContact SG-ND2 3.35Å; N943-I945 PolarHBondContact O-N 2.87Å; N943-I945 WeakPolarHBondContact OD1-CG2 3.47Å; N943-R946 WeakPolarHBondContact O-CB 3.25Å; N943-R946 VanDerWaalsContact O-CG 3.24Å; N943-R946 WeakPolarHBondContact O-CG 3.34Å; N943-R946 PolarHBondContact O-N 3.42Å
944	K	94.6	Very high	92.8	Very high	35 Å²	35	26.6 Å²	26.6	15%	0.152	13%	0.133	C	C	.	.	G	3₁₀ helix	trans	-54.7	-30.9	-168.5	-68	-174	177.7	179.6	0	114.6	L875 I887 R946 I1039	L875-K944 HydrophobicContact CB-CB 4.44Å; L875-K944 HydrophobicContact CD1-CB 4.38Å; I887-K944 HydrophobicContact CD1-CB 4.18Å; I887-K944 VanDerWaalsContact CD1-O 3.29Å; I887-K944 WeakPolarHBondContact CD1-O 2.92Å; I887-K944 WeakPolarHBondContact CG1-O 3.32Å; K944-R946 PolarHBondContact O-N 3.08Å; K944-I1039 VanDerWaalsContact CE-O 3.29Å; K944-I1039 WeakPolarHBondContact CE-O 3.02Å; K944-I1039 PolarHBondContact NZ-O 2.7Å
945	I	95.2	Very high	92.9	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.126	C	C	.	.	G	3₁₀ helix	trans	-73.4	-4.9	179.6	-158.7	65.3	0	0	0	113.6	L875 I887 Y900 Y902 N943 F947 A948 I971 L983	L875-I945 HydrophobicContact CD1-CB 4.17Å; L875-I945 HydrophobicContact CD1-CD1 3.78Å; I887-I945 HydrophobicContact CG2-CD1 4.05Å; Y900-I945 HydrophobicContact CD1-CB 4.02Å; Y900-I945 HydrophobicContact CD1-CG2 3.84Å; Y900-I945 HydrophobicContact CG-CB 4.04Å; Y900-I945 HydrophobicContact CG-CG2 4.22Å; Y902-I945 HydrophobicContact CD2-CG2 4.01Å; Y902-I945 HydrophobicContact CG-CG2 4.45Å; N943-I945 PolarHBondContact O-N 2.87Å; N943-I945 WeakPolarHBondContact OD1-CG2 3.47Å; I945-F947 PolarHBondContact O-N 3.07Å; I945-F947 VanDerWaalsContact O-N 3.17Å; I945-A948 HydrophobicContact CD1-CB 3.86Å; I945-A948 HydrophobicContact CG1-CB 4.2Å; I945-A948 WeakPolarHBondContact O-CB 3.26Å; I945-A948 PolarHBondContact O-N 3.18Å; I945-A948 VanDerWaalsContact O-N 3.14Å; I945-I971 HydrophobicContact CD1-CG2 4.41Å; I945-I971 HydrophobicContact CG1-CB 4.27Å; I945-I971 HydrophobicContact CG1-CG1 3.91Å; I945-I971 HydrophobicContact CG1-CG2 4.26Å; I945-I971 HydrophobicContact CG2-CG1 4.39Å; I945-L983 HydrophobicContact CD1-CD1 3.87Å
946	R	94	Very high	93.1	Very high	10 Å²	10	25 Å²	25	4%	0.038	13%	0.126	C	C	.	.	G	3₁₀ helix	trans	-62.1	-18.2	173.1	79.1	172.6	-73.9	-178.6	-0.6	114.4	A938 T939 N943 K944	A938-R946 HydrophobicContact CB-CB 4.14Å; A938-R946 PolarHBondContact O-NH1 2.86Å; T939-R946 PolarHBondContact O-NH1 2.84Å; T939-R946 PolarHBondContact O-NH2 3.1Å; N943-R946 WeakPolarHBondContact O-CB 3.25Å; N943-R946 VanDerWaalsContact O-CG 3.24Å; N943-R946 WeakPolarHBondContact O-CG 3.34Å; N943-R946 PolarHBondContact O-N 3.42Å; K944-R946 PolarHBondContact O-N 3.08Å
947	F	94.5	Very high	93.1	Very high	11 Å²	11	28 Å²	28	5%	0.048	14%	0.14	C	C	.	.	G	3₁₀ helix	trans	-99.1	14.1	179	-55.8	-74.2	0	0	0	112.5	V180 W183 M877 W885 G886 I887 I945 N949	V180-F947 HydrophobicContact CG2-CE1 4.2Å; V180-F947 HydrophobicContact CG2-CZ 4.28Å; W183-F947 AromaticContact CZ2-CE2 3.75Å; W183-F947 HydrophobicContact CZ2-CE2 3.75Å; W183-F947 HydrophobicContact CZ2-CZ 4.24Å; W183-F947 AromaticContact NE1-CZ 3.68Å; M877-F947 HydrophobicContact CE-CD1 4.36Å; M877-F947 HydrophobicContact CE-CD2 4.22Å; M877-F947 HydrophobicContact CE-CE1 3.96Å; M877-F947 HydrophobicContact CE-CE2 3.81Å; M877-F947 HydrophobicContact CE-CG 4.48Å; M877-F947 HydrophobicContact CE-CZ 3.67Å; M877-F947 HydrophobicContact SD-CD2 3.97Å; M877-F947 HydrophobicContact SD-CE2 3.71Å; M877-F947 HydrophobicContact SD-CZ 4.2Å; W885-F947 HydrophobicContact CB-CD1 3.83Å; W885-F947 HydrophobicContact CB-CE1 4.32Å; W885-F947 HydrophobicContact CB-CG 4.46Å; G886-F947 CarbonylContact C-O 3.32Å; G886-F947 WeakPolarHBondContact CA-O 3.33Å; I887-F947 HydrophobicContact CB-CB 4.1Å; I887-F947 PolarHBondContact N-O 3.02Å; I887-F947 VanDerWaalsContact N-O 3.11Å; I945-F947 PolarHBondContact O-N 3.07Å; I945-F947 VanDerWaalsContact O-N 3.17Å; F947-N949 PolarHBondContact O-N 2.84Å
948	A	94.3	Very high	93	Very high	1 Å²	1	29 Å²	29	1%	0.008	15%	0.149	C	C	.	.			trans	-78.5	109.8	167.7	0	0	0	0	0	109	I887 I945 L983 F985 Y987	I887-A948 HydrophobicContact CG2-CB 3.66Å; I945-A948 HydrophobicContact CD1-CB 3.86Å; I945-A948 HydrophobicContact CG1-CB 4.2Å; I945-A948 WeakPolarHBondContact O-CB 3.26Å; I945-A948 PolarHBondContact O-N 3.18Å; I945-A948 VanDerWaalsContact O-N 3.14Å; A948-L983 CarbonylContact C-O 3.57Å; A948-L983 WeakPolarHBondContact CA-O 3.15Å; A948-L983 HydrophobicContact CB-CB 4.23Å; A948-L983 VanDerWaalsContact CB-O 3.28Å; A948-L983 WeakPolarHBondContact CB-O 3.48Å; A948-F985 HydrophobicContact CB-CD1 3.8Å; A948-F985 HydrophobicContact CB-CE1 3.92Å; A948-F985 WeakPolarHBondContact O-CE1 3.3Å; A948-Y987 PolarHBondContact O-OH 2.98Å
949	N	92.8	Very high	92.8	Very high	35 Å²	35	32.4 Å²	32.4	19%	0.187	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	167.3	-167.9	-77.5	-54.6	0	0	0	113.6	S880 W885 F947 E982 L983 F984 F985	S880-N949 PolarHBondContact OG-ND2 3.4Å; W885-N949 PolarHBondContact O-ND2 2.93Å; F947-N949 PolarHBondContact O-N 2.84Å; N949-E982 PolarHBondContact ND2-OE1 3Å; N949-L983 PolarHBondContact N-O 3.47Å; N949-F984 HydrophobicContact CB-CD1 3.7Å; N949-F984 HydrophobicContact CB-CE1 3.79Å; N949-F984 CarbonylContact O-C 3.42Å; N949-F984 WeakPolarHBondContact O-CA 3.07Å; N949-F985 PolarHBondContact O-N 3.29Å
950	H	89.7	Confident	92.8	Very high	30 Å²	30	31.5 Å²	31.5	14%	0.139	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	135	172.3	-175.9	32	0	0	0	111.3	F985 D986 Y987 Y989	H950-F985 WeakPolarHBondContact CA-O 3.16Å; H950-F985 PolarHBondContact ND1-O 2.96Å; H950-D986 IonicContact CE1-OD1 2.66Å; H950-Y987 HydrophobicContact CB-CD1 3.6Å; H950-Y987 HydrophobicContact CB-CD2 4.3Å; H950-Y987 HydrophobicContact CB-CE1 3.92Å; H950-Y987 HydrophobicContact CB-CG 3.81Å; H950-Y987 AromaticContact CG-CG 3.99Å; H950-Y987 PolarHBondContact ND1-N 3.03Å; H950-Y989 AromaticContact CD2-CD2 3.64Å; H950-Y989 AromaticContact NE2-CD2 3.92Å
951	S	87.6	Confident	92.9	Very high	16 Å²	16	27.4 Å²	27.4	11%	0.112	14%	0.143	C	C	.	.			trans	-141.1	153.3	157	170.1	0	0	0	0	109.6	N953 P954 F985 E1001	S951-N953 VanDerWaalsContact C-N 3.27Å; S951-N953 PolarHBondContact OG-N 3.41Å; S951-P954 WeakPolarHBondContact O-CD 3.25Å; S951-F985 PolarHBondContact N-O 2.8Å; S951-E1001 WeakPolarHBondContact CA-OE1 3.48Å; S951-E1001 WeakPolarHBondContact CB-OE1 3.33Å; S951-E1001 PolarHBondContact OG-OE1 3.31Å
952	V	85.7	Confident	92.8	Very high	76 Å²	76	26 Å²	26	46%	0.461	14%	0.137	S	C	.	.	S	Bend	trans	-74	-24.7	169.3	-175.5	0	0	0	0	110.7	P954 E1001	V952-P954 WeakPolarHBondContact O-CD 3.2Å; V952-E1001 PolarHBondContact N-OE1 2.95Å
953	N	89.4	Confident	92.7	Very high	120 Å²	120	26.1 Å²	26.1	64%	0.642	14%	0.138	S	C	*	.	S	Bend	trans	-111.9	50.5	-179.1	-67.2	-67.2	0	0	0	113.2	S951 E1001	S951-N953 VanDerWaalsContact C-N 3.27Å; S951-N953 PolarHBondContact OG-N 3.41Å; N953-E1001 PolarHBondContact ND2-OE2 2.8Å
954	P	93.1	Very high	92.6	Very high	12 Å²	12	27.6 Å²	27.6	8%	0.078	15%	0.146	C	C	.	.			trans	-71	150.5	-165.7	31.2	-38.7	0	0	0	114.1	S951 V952 C956 K974 F984 D986	S951-P954 WeakPolarHBondContact O-CD 3.25Å; V952-P954 WeakPolarHBondContact O-CD 3.2Å; P954-C956 WeakPolarHBondContact CB-O 3.48Å; P954-K974 HydrophobicContact CG-CD 4.46Å; P954-K974 WeakPolarHBondContact O-CD 3.33Å; P954-F984 HydrophobicContact CB-CB 4.31Å; P954-F984 WeakPolarHBondContact CB-O 3.35Å; P954-D986 HydrophobicContact CG-CB 4.05Å
955	N	95.3	Very high	92.3	Very high	5 Å²	5	25.9 Å²	25.9	3%	0.027	14%	0.139	C	C	.	.	S	Bend	trans	-84.9	-16.4	169.6	64.2	3.3	0	0	0	113.3	K974 R975 I977 E981 E982 F984	N955-K974 VanDerWaalsContact O-CB 3.26Å; N955-K974 WeakPolarHBondContact O-CB 3.47Å; N955-K974 PolarHBondContact O-N 3.01Å; N955-R975 HydrophobicContact CB-CG 4.31Å; N955-I977 HydrophobicContact CB-CD1 4.19Å; N955-I977 HydrophobicContact CB-CG1 4.38Å; N955-E981 PolarHBondContact ND2-OE2 2.79Å; N955-E982 PolarHBondContact ND2-O 2.95Å; N955-F984 PolarHBondContact OD1-N 2.99Å; N955-F984 PolarHBondContact OD1-O 2.66Å
956	C	96.2	Very high	92.2	Very high	1 Å²	1	26.7 Å²	26.7	1%	0.007	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	166.4	174.3	-58.2	0	0	0	0	112.6	I899 P954 I971 F972 F984 F985	I899-C956 WeakPolarHBondContact CD1-SG 3.38Å; P954-C956 WeakPolarHBondContact CB-O 3.48Å; C956-I971 HydrophobicContact CB-CG2 3.93Å; C956-F972 CarbonylContact C-O 3.56Å; C956-F972 WeakPolarHBondContact CA-O 3.44Å; C956-F984 WeakPolarHBondContact CA-O 3.5Å; C956-F984 VanDerWaalsContact CB-O 3.25Å; C956-F984 WeakPolarHBondContact CB-O 3.25Å; C956-F984 PolarHBondContact N-O 2.96Å; C956-F985 HydrophobicContact CB-CB 4.33Å
957	H	94.3	Very high	92.1	Very high	62 Å²	62	26.8 Å²	26.8	29%	0.287	14%	0.143	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	140.9	167.2	69.4	-78.1	0	0	0	110.9	F972	H957-F972 VanDerWaalsContact CE1-CB 3.48Å; H957-F972 WeakPolarHBondContact CE1-CB 3.46Å; H957-F972 PolarHBondContact N-O 3.33Å; H957-F972 PolarHBondContact ND1-O 2.87Å; H957-F972 PolarHBondContact O-N 3.49Å
958	A	93.4	Very high	92.1	Very high	23 Å²	23	27.4 Å²	27.4	19%	0.19	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	143.7	175.6	0	0	0	0	0	111	F928 I969 I971	F928-A958 HydrophobicContact CE2-CB 3.64Å; F928-A958 HydrophobicContact CZ-CB 3.45Å; F928-A958 VanDerWaalsContact CZ-CB 3.45Å; A958-I969 HydrophobicContact CB-CG2 4.24Å; A958-I971 HydrophobicContact CB-CD1 3.54Å
959	K	91.4	Very high	92.1	Very high	71 Å²	71	27.3 Å²	27.3	31%	0.309	15%	0.145	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	120.2	-179.8	-176.5	175.8	174.3	176.8	0	111	I961 G970 F972	K959-I961 HydrophobicContact CD-CD1 4.21Å; K959-I961 HydrophobicContact CD-CG1 4.24Å; K959-I961 HydrophobicContact CG-CD1 4.34Å; K959-I961 HydrophobicContact CG-CG1 3.95Å; K959-G970 PolarHBondContact N-O 2.59Å; K959-G970 PolarHBondContact O-N 3.31Å; K959-F972 HydrophobicContact CB-CD2 4.1Å; K959-F972 HydrophobicContact CB-CE2 4.09Å
960	V	92.9	Very high	92.2	Very high	7 Å²	7	25.7 Å²	25.7	4%	0.042	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70	129.2	168.3	-178.5	0	0	0	0	109	V819 L930 H967 R968 I969	V819-V960 VanDerWaalsContact CG1-O 3.29Å; V819-V960 WeakPolarHBondContact CG1-O 3.48Å; L930-V960 HydrophobicContact CD1-CG1 4.34Å; L930-V960 WeakPolarHBondContact O-CG1 3.37Å; V960-H967 HydrophobicContact CG1-CB 4.19Å; V960-R968 CarbonylContact C-O 3.5Å; V960-R968 WeakPolarHBondContact CA-O 3.36Å; V960-I969 HydrophobicContact CG2-CG1 4.16Å
961	I	92.4	Very high	92.4	Very high	8 Å²	8	24.2 Å²	24.2	4%	0.041	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	141.7	-179.8	-62.6	-178.1	0	0	0	108.6	V819 E821 I867 K959 V963 R968 F972	V819-I961 HydrophobicContact CG1-CG1 4.34Å; E821-I961 HydrophobicContact CG-CG2 4.12Å; I867-I961 HydrophobicContact CD1-CB 4.28Å; I867-I961 HydrophobicContact CD1-CD1 4.16Å; K959-I961 HydrophobicContact CD-CD1 4.21Å; K959-I961 HydrophobicContact CD-CG1 4.24Å; K959-I961 HydrophobicContact CG-CD1 4.34Å; K959-I961 HydrophobicContact CG-CG1 3.95Å; I961-V963 HydrophobicContact CB-CG2 4.42Å; I961-V963 HydrophobicContact CG2-CG2 3.97Å; I961-R968 PolarHBondContact N-O 3.04Å; I961-R968 PolarHBondContact O-N 3.41Å; I961-F972 HydrophobicContact CD1-CE2 3.67Å; I961-F972 HydrophobicContact CD1-CZ 3.52Å
962	M	92.9	Very high	92.8	Very high	18 Å²	18	25 Å²	25	9%	0.089	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	123.5	171.8	-175.4	64.2	85.9	0	0	110.7	V819 R820 E821 G965 D966 H967	V819-M962 PolarHBondContact O-N 2.94Å; V819-M962 VanDerWaalsContact O-N 3.07Å; R820-M962 VanDerWaalsContact CA-O 3.28Å; R820-M962 WeakPolarHBondContact CA-O 3.32Å; R820-M962 HydrophobicContact CG-CB 4.19Å; E821-M962 PolarHBondContact N-O 2.88Å; E821-M962 VanDerWaalsContact N-O 3.08Å; M962-G965 VanDerWaalsContact SD-CA 3.51Å; M962-D966 VanDerWaalsContact SD-C 3.57Å; M962-H967 VanDerWaalsContact CE-NE2 3.25Å; M962-H967 WeakPolarHBondContact CE-NE2 3.29Å
963	V	93.6	Very high	93.3	Very high	2 Å²	2	21.4 Å²	21.4	1%	0.012	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	102.9	-172.2	-174.5	0	0	0	0	109	E821 I867 Q868 I961 G965 D966 R968	E821-V963 HydrophobicContact CB-CG1 4.4Å; E821-V963 HydrophobicContact CB-CG2 4.28Å; E821-V963 HydrophobicContact CG-CG2 3.99Å; I867-V963 HydrophobicContact CB-CG2 4.32Å; I867-V963 HydrophobicContact CD1-CG2 4.21Å; I867-V963 HydrophobicContact CG2-CG1 4.5Å; I867-V963 HydrophobicContact CG2-CG2 4.21Å; Q868-V963 HydrophobicContact CB-CG1 3.68Å; I961-V963 HydrophobicContact CB-CG2 4.42Å; I961-V963 HydrophobicContact CG2-CG2 3.97Å; V963-G965 PolarHBondContact O-N 3.26Å; V963-D966 PolarHBondContact N-O 2.79Å; V963-D966 WeakPolarHBondContact O-CB 3.34Å; V963-D966 PolarHBondContact O-N 2.85Å; V963-R968 HydrophobicContact CB-CG 4.35Å; V963-R968 HydrophobicContact CG2-CB 4.2Å; V963-R968 HydrophobicContact CG2-CG 4.36Å
964	N	91.4	Very high	93.5	Very high	36 Å²	36	20.6 Å²	20.6	19%	0.193	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.4	38.5	-175.2	-59	-65	0	0	0	114.2	K787 F788 D823 P824 Q868 D966	K787-N964 PolarHBondContact NZ-OD1 2.84Å; F788-N964 VanDerWaalsContact CE2-O 3.23Å; F788-N964 WeakPolarHBondContact CE2-O 3.44Å; D823-N964 PolarHBondContact OD2-OD1 3.24Å; P824-N964 WeakPolarHBondContact CD-OD1 3.28Å; Q868-N964 PolarHBondContact OE1-ND2 3.46Å; N964-D966 VanDerWaalsContact C-N 3.33Å
965	G	89	Confident	93.7	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	86	-6.5	-177.8	0	0	0	0	0	115	R512 Y762 M962 V963	R512-G965 VanDerWaalsContact NH2-C 3.34Å; R512-G965 PolarHBondContact NH2-O 2.7Å; Y762-G965 WeakPolarHBondContact CD1-O 3.32Å; M962-G965 VanDerWaalsContact SD-CA 3.51Å; V963-G965 PolarHBondContact O-N 3.26Å
966	D	92.4	Very high	93.7	Very high	16 Å²	16	28.4 Å²	28.4	9%	0.086	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	131	171.5	-53.7	-24.1	0	0	0	110.2	R512 H521 M962 V963 N964 R968	R512-D966 IonicContact CZ-OD1 2.69Å; R512-D966 IonicContact NE-OD1 3.58Å; R512-D966 IonicContact NH2-OD1 3.76Å; R512-D966 PolarHBondContact NH2-OD1 3.1Å; H521-D966 IonicContact CD2-OD1 3.67Å; H521-D966 IonicContact CE1-OD1 3.14Å; H521-D966 IonicContact NE2-OD1 2.71Å; H521-D966 PolarHBondContact NE2-OD1 2.83Å; H521-D966 IonicContact NE2-OD2 3.54Å; M962-D966 VanDerWaalsContact SD-C 3.57Å; V963-D966 PolarHBondContact N-O 2.79Å; V963-D966 WeakPolarHBondContact O-CB 3.34Å; V963-D966 PolarHBondContact O-N 2.85Å; N964-D966 VanDerWaalsContact C-N 3.33Å; D966-R968 HydrophobicContact CB-CG 4.17Å; D966-R968 IonicContact OD2-CZ 2.71Å; D966-R968 IonicContact OD2-NE 2.89Å; D966-R968 IonicContact OD2-NH2 3.61Å; D966-R968 PolarHBondContact OD2-NH2 3Å
967	H	92.2	Very high	93.7	Very high	12 Å²	12	28.4 Å²	28.4	6%	0.056	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71	130.6	160.8	-69.3	123	0	0	0	109.1	H760 L930 V960 M962	H760-H967 PolarHBondContact O-CE1 3.24Å; L930-H967 HydrophobicContact CD1-CB 3.87Å; L930-H967 HydrophobicContact CD2-CB 4.03Å; L930-H967 HydrophobicContact CG-CB 3.77Å; V960-H967 HydrophobicContact CG1-CB 4.19Å; M962-H967 VanDerWaalsContact CE-NE2 3.25Å; M962-H967 WeakPolarHBondContact CE-NE2 3.29Å
968	R	94.1	Very high	93.8	Very high	24 Å²	24	31.1 Å²	31.1	9%	0.091	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	144.8	178	-63.2	178.3	-178.4	-116.3	0.8	110.6	H188 I867 E901 V960 I961 V963 D966	H188-R968 PolarHBondContact ND1-NH1 3.34Å; I867-R968 HydrophobicContact CG2-CB 4.11Å; I867-R968 VanDerWaalsContact CG2-CD 3.49Å; I867-R968 HydrophobicContact CG2-CG 4.43Å; E901-R968 WeakPolarHBondContact OE1-CD 3.44Å; E901-R968 WeakPolarHBondContact OE1-CG 3.28Å; E901-R968 IonicContact OE1-CZ 3.65Å; E901-R968 IonicContact OE1-NE 3.32Å; E901-R968 IonicContact OE1-NH1 2.75Å; E901-R968 PolarHBondContact OE1-NH1 3.02Å; E901-R968 IonicContact OE2-NH1 3.45Å; E901-R968 PolarHBondContact OE2-NH1 3.01Å; V960-R968 CarbonylContact C-O 3.5Å; V960-R968 WeakPolarHBondContact CA-O 3.36Å; I961-R968 PolarHBondContact N-O 3.04Å; I961-R968 PolarHBondContact O-N 3.41Å; V963-R968 HydrophobicContact CB-CG 4.35Å; V963-R968 HydrophobicContact CG2-CB 4.2Å; V963-R968 HydrophobicContact CG2-CG 4.36Å; D966-R968 HydrophobicContact CB-CG 4.17Å; D966-R968 IonicContact OD2-CZ 2.71Å; D966-R968 IonicContact OD2-NE 2.89Å; D966-R968 IonicContact OD2-NH2 3.61Å; D966-R968 PolarHBondContact OD2-NH2 3Å
969	I	94.2	Very high	93.9	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	112.1	178.2	-60.9	146.6	0	0	0	108.1	E901 Y902 F928 L930 V936 A958 V960 I971	E901-I969 CarbonylContact C-O 3.51Å; E901-I969 WeakPolarHBondContact CA-O 3.46Å; Y902-I969 HydrophobicContact CD1-CD1 4.38Å; Y902-I969 PolarHBondContact N-O 3.43Å; F928-I969 HydrophobicContact CB-CD1 3.93Å; F928-I969 HydrophobicContact CD1-CD1 3.33Å; F928-I969 HydrophobicContact CD1-CG1 3.77Å; F928-I969 HydrophobicContact CD1-CG2 4.35Å; F928-I969 HydrophobicContact CE1-CD1 4.06Å; F928-I969 HydrophobicContact CE1-CG1 3.97Å; F928-I969 HydrophobicContact CE1-CG2 4.09Å; F928-I969 HydrophobicContact CE2-CG2 4.42Å; F928-I969 HydrophobicContact CG-CD1 3.73Å; F928-I969 HydrophobicContact CG-CG1 4.49Å; F928-I969 HydrophobicContact CZ-CG2 4.14Å; L930-I969 HydrophobicContact CD1-CD1 3.93Å; L930-I969 HydrophobicContact CD1-CG1 3.71Å; V936-I969 HydrophobicContact CB-CD1 3.98Å; V936-I969 HydrophobicContact CG1-CD1 4.49Å; V936-I969 HydrophobicContact CG2-CD1 3.95Å; A958-I969 HydrophobicContact CB-CG2 4.24Å; V960-I969 HydrophobicContact CG2-CG1 4.16Å; I969-I971 HydrophobicContact CG2-CD1 4.03Å
970	G	94.3	Very high	94	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	135.4	168.6	0	0	0	0	0	110.9	K959 F972	K959-G970 PolarHBondContact N-O 2.59Å; K959-G970 PolarHBondContact O-N 3.31Å; G970-F972 WeakPolarHBondContact O-CD2 3.45Å; G970-F972 WeakPolarHBondContact O-CE2 3.19Å
971	I	95.4	Very high	94.1	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	124.9	170.7	-53.4	-54.8	0	0	0	108.3	I899 Y900 I945 C956 A958 I969	I899-I971 PolarHBondContact N-O 2.71Å; Y900-I971 PolarHBondContact N-O 2.92Å; Y900-I971 PolarHBondContact O-N 2.85Å; I945-I971 HydrophobicContact CD1-CG2 4.41Å; I945-I971 HydrophobicContact CG1-CB 4.27Å; I945-I971 HydrophobicContact CG1-CG1 3.91Å; I945-I971 HydrophobicContact CG1-CG2 4.26Å; I945-I971 HydrophobicContact CG2-CG1 4.39Å; C956-I971 HydrophobicContact CB-CG2 3.93Å; A958-I971 HydrophobicContact CB-CD1 3.54Å; I969-I971 HydrophobicContact CG2-CD1 4.03Å
972	F	94.9	Very high	94.3	Very high	32 Å²	32	34.5 Å²	34.5	14%	0.14	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	147.6	-173.7	-64	-92.7	0	0	0	111.3	D897 F898 C956 H957 K959 I961 G970 K974	D897-F972 CarbonylContact O-C 3.57Å; D897-F972 VanDerWaalsContact O-CA 3.25Å; D897-F972 WeakPolarHBondContact O-CA 3.42Å; F898-F972 HydrophobicContact CB-CD1 4.01Å; F898-F972 HydrophobicContact CB-CE1 3.74Å; F898-F972 HydrophobicContact CD2-CD1 4.37Å; F898-F972 AromaticContact CD2-CE1 3.85Å; F898-F972 HydrophobicContact CD2-CE1 3.85Å; F898-F972 HydrophobicContact CD2-CE2 4.42Å; F898-F972 AromaticContact CD2-CZ 3.86Å; F898-F972 HydrophobicContact CD2-CZ 3.86Å; F898-F972 HydrophobicContact CG-CE1 4.27Å; C956-F972 CarbonylContact C-O 3.56Å; C956-F972 WeakPolarHBondContact CA-O 3.44Å; H957-F972 VanDerWaalsContact CE1-CB 3.48Å; H957-F972 WeakPolarHBondContact CE1-CB 3.46Å; H957-F972 PolarHBondContact N-O 3.33Å; H957-F972 PolarHBondContact ND1-O 2.87Å; H957-F972 PolarHBondContact O-N 3.49Å; K959-F972 HydrophobicContact CB-CD2 4.1Å; K959-F972 HydrophobicContact CB-CE2 4.09Å; I961-F972 HydrophobicContact CD1-CE2 3.67Å; I961-F972 HydrophobicContact CD1-CZ 3.52Å; G970-F972 WeakPolarHBondContact O-CD2 3.45Å; G970-F972 WeakPolarHBondContact O-CE2 3.19Å; F972-K974 PolarHBondContact O-N 3.48Å
973	A	96.2	Very high	94.5	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	126	177.4	0	0	0	0	0	111.3	A893 E894 N896 D897 I899 R975 I977	A893-A973 HydrophobicContact CB-CB 4.17Å; E894-A973 WeakPolarHBondContact O-CB 3.36Å; N896-A973 WeakPolarHBondContact CA-O 3.29Å; N896-A973 PolarHBondContact N-O 3.06Å; D897-A973 PolarHBondContact O-N 3.37Å; I899-A973 HydrophobicContact CD1-CB 4.09Å; I899-A973 HydrophobicContact CG1-CB 4.5Å; A973-R975 WeakPolarHBondContact CB-O 3.48Å; A973-I977 HydrophobicContact CB-CD1 3.87Å; A973-I977 HydrophobicContact CB-CG1 4.2Å
974	K	95	Very high	94.6	Very high	104 Å²	104	35.2 Å²	35.2	45%	0.452	19%	0.192	S	C	.	.	S	Bend	trans	-81.1	-32	178	-169	-166.3	-178.7	-175.3	0	111.7	K895 P954 N955 F972	K895-K974 VanDerWaalsContact CE-O 3.31Å; K895-K974 WeakPolarHBondContact CE-O 3.33Å; K895-K974 WeakPolarHBondContact CG-O 3.5Å; P954-K974 HydrophobicContact CG-CD 4.46Å; P954-K974 WeakPolarHBondContact O-CD 3.33Å; N955-K974 VanDerWaalsContact O-CB 3.26Å; N955-K974 WeakPolarHBondContact O-CB 3.47Å; N955-K974 PolarHBondContact O-N 3.01Å; F972-K974 PolarHBondContact O-N 3.48Å
975	R	95.4	Very high	94.6	Very high	115 Å²	115	33.6 Å²	33.6	43%	0.434	18%	0.183	S	C	.	.	S	Bend	trans	-128.2	-177.7	170.3	57	162.1	173.3	85	-6	109.8	N955 A973 E981	N955-R975 HydrophobicContact CB-CG 4.31Å; A973-R975 WeakPolarHBondContact CB-O 3.48Å; R975-E981 IonicContact CZ-OE1 3.66Å; R975-E981 IonicContact CZ-OE2 2.69Å; R975-E981 VanDerWaalsContact NH1-CD 3.28Å; R975-E981 IonicContact NH1-OE1 2.73Å; R975-E981 PolarHBondContact NH1-OE1 2.83Å; R975-E981 IonicContact NH1-OE2 3.93Å; R975-E981 PolarHBondContact NH1-OE2 3.47Å; R975-E981 IonicContact NH2-OE1 3.72Å; R975-E981 IonicContact NH2-OE2 2.77Å; R975-E981 PolarHBondContact NH2-OE2 3.32Å
976	A	96.3	Very high	94.6	Very high	65 Å²	65	36.2 Å²	36.2	54%	0.537	20%	0.197	S	C	.	.			trans	-66.8	142.4	162.7	0	0	0	0	0	109.8	A893	A893-A976 WeakPolarHBondContact O-CA 3.31Å
977	I	96.4	Very high	94.3	Very high	2 Å²	2	38 Å²	38	1%	0.01	20%	0.203	C	C	.	.	B	Isolated β-bridge	trans	-126.4	129	-178.1	-49.6	-178.5	0	0	0	108.6	I889 A892 A893 I899 N955 A973 E981 L983	I889-I977 HydrophobicContact CG2-CG2 3.84Å; A892-I977 WeakPolarHBondContact CA-O 3.37Å; A893-I977 HydrophobicContact CB-CB 4.35Å; A893-I977 PolarHBondContact N-O 3.43Å; A893-I977 PolarHBondContact O-N 3.4Å; I899-I977 HydrophobicContact CD1-CD1 3.97Å; N955-I977 HydrophobicContact CB-CD1 4.19Å; N955-I977 HydrophobicContact CB-CG1 4.38Å; A973-I977 HydrophobicContact CB-CD1 3.87Å; A973-I977 HydrophobicContact CB-CG1 4.2Å; I977-E981 WeakPolarHBondContact CA-OE1 3.46Å; I977-E981 HydrophobicContact CG2-CB 3.71Å; I977-E981 HydrophobicContact CG2-CG 4.11Å; I977-L983 HydrophobicContact CD1-CD2 3.89Å; I977-L983 HydrophobicContact CG2-CD2 4.01Å
978	L	96	Very high	93.5	Very high	119 Å²	119	45.5 Å²	45.5	62%	0.623	23%	0.231	S	C	*	.			trans	-82	155.1	178.9	-59.9	177.1	0	0	0	111.6	I889 G980 E981	I889-L978 WeakPolarHBondContact CG2-O 3.24Å; L978-G980 PolarHBondContact O-N 3.15Å; L978-E981 HydrophobicContact CB-CG 4.21Å; L978-E981 PolarHBondContact N-OE1 3.22Å; L978-E981 PolarHBondContact O-N 2.96Å
979	P	95.7	Very high	92.2	Very high	79 Å²	79	46.1 Å²	46.1	51%	0.513	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58	133.1	170.7	-19.5	32	0	0	0	110.8	A892	A892-P979 HydrophobicContact CB-CG 4.31Å
980	G	94	Very high	90.7	Very high	49 Å²	49	47.1 Å²	47.1	51%	0.505	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	88.2	-0.8	180	0	0	0	0	0	115.8	I889 L978	I889-G980 PolarHBondContact O-N 2.83Å; L978-G980 PolarHBondContact O-N 3.15Å
981	E	95.4	Very high	88.7	Confident	41 Å²	41	52.2 Å²	52.2	19%	0.192	28%	0.277	C	S	.	.	P	Polyproline II helix	trans	-71.1	139.4	169.4	-71.5	-170.7	-131.6	0	0	112.1	F888 I889 N955 R975 I977 L978	F888-E981 VanDerWaalsContact CA-O 3.3Å; F888-E981 WeakPolarHBondContact CA-O 3.35Å; I889-E981 PolarHBondContact N-O 2.92Å; I889-E981 VanDerWaalsContact N-O 3.14Å; N955-E981 PolarHBondContact ND2-OE2 2.79Å; R975-E981 IonicContact CZ-OE1 3.66Å; R975-E981 IonicContact CZ-OE2 2.69Å; R975-E981 VanDerWaalsContact NH1-CD 3.28Å; R975-E981 IonicContact NH1-OE1 2.73Å; R975-E981 PolarHBondContact NH1-OE1 2.83Å; R975-E981 IonicContact NH1-OE2 3.93Å; R975-E981 PolarHBondContact NH1-OE2 3.47Å; R975-E981 IonicContact NH2-OE1 3.72Å; R975-E981 IonicContact NH2-OE2 2.77Å; R975-E981 PolarHBondContact NH2-OE2 3.32Å; I977-E981 WeakPolarHBondContact CA-OE1 3.46Å; I977-E981 HydrophobicContact CG2-CB 3.71Å; I977-E981 HydrophobicContact CG2-CG 4.11Å; L978-E981 HydrophobicContact CB-CG 4.21Å; L978-E981 PolarHBondContact N-OE1 3.22Å; L978-E981 PolarHBondContact O-N 2.96Å
982	E	96.5	Very high	86.8	Confident	11 Å²	11	57.1 Å²	57.1	5%	0.051	31%	0.308	C	S	.	.	B	Isolated β-bridge	trans	-67	140.3	164.3	-167.5	175.1	167.7	0	0	109.9	S880 D881 G886 I887 F888 N949 N955 F984	S880-E982 WeakPolarHBondContact CA-OE2 3.29Å; S880-E982 VanDerWaalsContact CB-OE1 3.29Å; S880-E982 WeakPolarHBondContact CB-OE1 3.33Å; S880-E982 VanDerWaalsContact OG-CD 3.26Å; S880-E982 PolarHBondContact OG-OE1 2.76Å; S880-E982 PolarHBondContact OG-OE2 2.82Å; D881-E982 PolarHBondContact N-OE2 3.38Å; G886-E982 VanDerWaalsContact CA-OE1 3.28Å; G886-E982 WeakPolarHBondContact CA-OE1 3.38Å; I887-E982 CarbonylContact O-C 3.59Å; I887-E982 WeakPolarHBondContact O-CA 3.3Å; F888-E982 HydrophobicContact CD1-CB 3.82Å; F888-E982 HydrophobicContact CD1-CG 4.48Å; F888-E982 HydrophobicContact CE1-CB 3.55Å; F888-E982 HydrophobicContact CE1-CG 4.12Å; F888-E982 HydrophobicContact CE2-CG 4.29Å; F888-E982 HydrophobicContact CG-CB 4.46Å; F888-E982 HydrophobicContact CZ-CB 3.95Å; F888-E982 HydrophobicContact CZ-CG 4Å; N949-E982 PolarHBondContact ND2-OE1 3Å; N955-E982 PolarHBondContact ND2-O 2.95Å; E982-F984 HydrophobicContact CB-CD2 4.49Å; E982-F984 HydrophobicContact CB-CE2 3.67Å; E982-F984 HydrophobicContact CB-CZ 3.93Å; E982-F984 HydrophobicContact CG-CE1 4.32Å; E982-F984 HydrophobicContact CG-CE2 3.85Å; E982-F984 HydrophobicContact CG-CZ 3.72Å
983	L	96.4	Very high	84.9	Confident	0 Å²	0	59.2 Å²	59.2	0%	0	32%	0.318	C	S	.	.	P	Polyproline II helix	trans	-97	124.3	-179.5	-58.3	-174.6	0	0	0	110.6	L875 I887 I889 I899 I945 A948 N949 I977	L875-L983 HydrophobicContact CD2-CD1 3.65Å; I887-L983 HydrophobicContact CG2-CB 3.97Å; I887-L983 HydrophobicContact CG2-CD1 4.37Å; I887-L983 HydrophobicContact CG2-CG 4.44Å; I887-L983 PolarHBondContact O-N 2.58Å; I889-L983 HydrophobicContact CB-CD1 4.31Å; I889-L983 HydrophobicContact CB-CD2 4.1Å; I889-L983 HydrophobicContact CB-CG 4.4Å; I889-L983 HydrophobicContact CG2-CD2 4.29Å; I899-L983 HydrophobicContact CD1-CD1 4.45Å; I899-L983 HydrophobicContact CG2-CD1 3.81Å; I945-L983 HydrophobicContact CD1-CD1 3.87Å; A948-L983 CarbonylContact C-O 3.57Å; A948-L983 WeakPolarHBondContact CA-O 3.15Å; A948-L983 HydrophobicContact CB-CB 4.23Å; A948-L983 VanDerWaalsContact CB-O 3.28Å; A948-L983 WeakPolarHBondContact CB-O 3.48Å; N949-L983 PolarHBondContact N-O 3.47Å; I977-L983 HydrophobicContact CD1-CD2 3.89Å; I977-L983 HydrophobicContact CG2-CD2 4.01Å
984	F	94.9	Very high	83	Confident	35 Å²	35	62.3 Å²	62.3	15%	0.154	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	145.3	176.7	-57.9	-90.2	0	0	0	110.8	V882 N949 P954 N955 C956 E982	V882-F984 HydrophobicContact CG2-CE1 3.9Å; V882-F984 HydrophobicContact CG2-CZ 4.03Å; N949-F984 HydrophobicContact CB-CD1 3.7Å; N949-F984 HydrophobicContact CB-CE1 3.79Å; N949-F984 CarbonylContact O-C 3.42Å; N949-F984 WeakPolarHBondContact O-CA 3.07Å; P954-F984 HydrophobicContact CB-CB 4.31Å; P954-F984 WeakPolarHBondContact CB-O 3.35Å; N955-F984 PolarHBondContact OD1-N 2.99Å; N955-F984 PolarHBondContact OD1-O 2.66Å; C956-F984 WeakPolarHBondContact CA-O 3.5Å; C956-F984 VanDerWaalsContact CB-O 3.25Å; C956-F984 WeakPolarHBondContact CB-O 3.25Å; C956-F984 PolarHBondContact N-O 2.96Å; E982-F984 HydrophobicContact CB-CD2 4.49Å; E982-F984 HydrophobicContact CB-CE2 3.67Å; E982-F984 HydrophobicContact CB-CZ 3.93Å; E982-F984 HydrophobicContact CG-CE1 4.32Å; E982-F984 HydrophobicContact CG-CE2 3.85Å; E982-F984 HydrophobicContact CG-CZ 3.72Å
985	F	92	Very high	80.9	Confident	2 Å²	2	64.9 Å²	64.9	1%	0.009	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	159.9	167.4	69.5	-89.4	0	0	0	112.3	Y902 F928 A948 N949 H950 S951 C956 Y987	Y902-F985 HydrophobicContact CD2-CZ 4.45Å; Y902-F985 HydrophobicContact CE2-CE1 4.33Å; Y902-F985 HydrophobicContact CE2-CZ 4.04Å; F928-F985 HydrophobicContact CD2-CE2 4.14Å; F928-F985 HydrophobicContact CE2-CD2 4.44Å; F928-F985 AromaticContact CE2-CE2 3.81Å; F928-F985 HydrophobicContact CE2-CE2 3.81Å; A948-F985 HydrophobicContact CB-CD1 3.8Å; A948-F985 HydrophobicContact CB-CE1 3.92Å; A948-F985 WeakPolarHBondContact O-CE1 3.3Å; N949-F985 PolarHBondContact O-N 3.29Å; H950-F985 WeakPolarHBondContact CA-O 3.16Å; H950-F985 PolarHBondContact ND1-O 2.96Å; S951-F985 PolarHBondContact N-O 2.8Å; C956-F985 HydrophobicContact CB-CB 4.33Å; F985-Y987 HydrophobicContact CD1-CE1 4.16Å; F985-Y987 AromaticContact CD2-CD1 3.76Å; F985-Y987 HydrophobicContact CD2-CD1 3.76Å; F985-Y987 HydrophobicContact CD2-CE1 4.05Å; F985-Y987 HydrophobicContact CE1-CD1 4.37Å; F985-Y987 AromaticContact CE1-CE1 3.69Å; F985-Y987 HydrophobicContact CE1-CE1 3.69Å; F985-Y987 AromaticContact CE2-CD1 3.43Å; F985-Y987 HydrophobicContact CE2-CD1 3.43Å; F985-Y987 VanDerWaalsContact CE2-CD1 3.43Å; F985-Y987 AromaticContact CE2-CE1 3.55Å; F985-Y987 HydrophobicContact CE2-CE1 3.55Å; F985-Y987 HydrophobicContact CE2-CG 4.24Å; F985-Y987 HydrophobicContact CG-CD1 4.35Å; F985-Y987 HydrophobicContact CG-CE1 4.33Å; F985-Y987 AromaticContact CZ-CD1 3.78Å; F985-Y987 HydrophobicContact CZ-CD1 3.78Å; F985-Y987 AromaticContact CZ-CE1 3.35Å; F985-Y987 HydrophobicContact CZ-CE1 3.35Å; F985-Y987 AromaticContact CZ-CZ 3.98Å; F985-Y987 PolarHBondContact O-N 3.14Å
986	D	88.2	Confident	78.9	Confident	55 Å²	55	65.3 Å²	65.3	29%	0.294	36%	0.355	S	S	.	.			trans	-77.8	114.2	174.1	167.2	29.6	0	0	0	109.5	H950 P954 R988	H950-D986 IonicContact CE1-OD1 2.66Å; P954-D986 HydrophobicContact CG-CB 4.05Å; D986-R988 VanDerWaalsContact C-N 3.26Å; D986-R988 WeakPolarHBondContact OD1-CA 3.34Å; D986-R988 PolarHBondContact OD1-N 2.82Å; D986-R988 WeakPolarHBondContact OD2-CG 3.24Å; D986-R988 IonicContact OD2-NE 2.73Å
987	Y	85.9	Confident	76.9	Confident	52 Å²	52	64.5 Å²	64.5	20%	0.204	34%	0.338	C	S	.	.			trans	-75.8	-14.5	178.6	-83	41.4	0	0	0	112.3	A948 H950 F985 Y989	A948-Y987 PolarHBondContact O-OH 2.98Å; H950-Y987 HydrophobicContact CB-CD1 3.6Å; H950-Y987 HydrophobicContact CB-CD2 4.3Å; H950-Y987 HydrophobicContact CB-CE1 3.92Å; H950-Y987 HydrophobicContact CB-CG 3.81Å; H950-Y987 AromaticContact CG-CG 3.99Å; H950-Y987 PolarHBondContact ND1-N 3.03Å; F985-Y987 HydrophobicContact CD1-CE1 4.16Å; F985-Y987 AromaticContact CD2-CD1 3.76Å; F985-Y987 HydrophobicContact CD2-CD1 3.76Å; F985-Y987 HydrophobicContact CD2-CE1 4.05Å; F985-Y987 HydrophobicContact CE1-CD1 4.37Å; F985-Y987 AromaticContact CE1-CE1 3.69Å; F985-Y987 HydrophobicContact CE1-CE1 3.69Å; F985-Y987 AromaticContact CE2-CD1 3.43Å; F985-Y987 HydrophobicContact CE2-CD1 3.43Å; F985-Y987 VanDerWaalsContact CE2-CD1 3.43Å; F985-Y987 AromaticContact CE2-CE1 3.55Å; F985-Y987 HydrophobicContact CE2-CE1 3.55Å; F985-Y987 HydrophobicContact CE2-CG 4.24Å; F985-Y987 HydrophobicContact CG-CD1 4.35Å; F985-Y987 HydrophobicContact CG-CE1 4.33Å; F985-Y987 AromaticContact CZ-CD1 3.78Å; F985-Y987 HydrophobicContact CZ-CD1 3.78Å; F985-Y987 AromaticContact CZ-CE1 3.35Å; F985-Y987 HydrophobicContact CZ-CE1 3.35Å; F985-Y987 AromaticContact CZ-CZ 3.98Å; F985-Y987 PolarHBondContact O-N 3.14Å; Y987-Y989 HydrophobicContact CD2-CD2 4.44Å; Y987-Y989 AromaticContact CD2-CE2 3.58Å; Y987-Y989 HydrophobicContact CD2-CE2 3.58Å; Y987-Y989 AromaticContact CD2-CZ 3.74Å; Y987-Y989 HydrophobicContact CE2-CE2 4.5Å; Y987-Y989 HydrophobicContact CG-CD2 4.5Å; Y987-Y989 HydrophobicContact CG-CE2 4.02Å; Y987-Y989 PolarHBondContact O-N 3.37Å
988	R	76.2	Confident	74.9	Confident	170 Å²	170	66.9 Å²	66.9	64%	0.642	35%	0.353	S	S	*	.			trans	59.2	27.9	-179.2	-59.1	175.8	175.8	-126.9	-6.5	114.9	D986	D986-R988 VanDerWaalsContact C-N 3.26Å; D986-R988 WeakPolarHBondContact OD1-CA 3.34Å; D986-R988 PolarHBondContact OD1-N 2.82Å; D986-R988 WeakPolarHBondContact OD2-CG 3.24Å; D986-R988 IonicContact OD2-NE 2.73Å
989	Y	67.6	Low	72.4	Confident	37 Å²	37	63.9 Å²	63.9	15%	0.145	35%	0.351	C	S	.	.			trans	-45.1	141.4	165.2	-76.8	-55.4	0	0	0	110.9	H950 Y987 E993 Q994 Y997	H950-Y989 AromaticContact CD2-CD2 3.64Å; H950-Y989 AromaticContact NE2-CD2 3.92Å; Y987-Y989 HydrophobicContact CD2-CD2 4.44Å; Y987-Y989 AromaticContact CD2-CE2 3.58Å; Y987-Y989 HydrophobicContact CD2-CE2 3.58Å; Y987-Y989 AromaticContact CD2-CZ 3.74Å; Y987-Y989 HydrophobicContact CE2-CE2 4.5Å; Y987-Y989 HydrophobicContact CG-CD2 4.5Å; Y987-Y989 HydrophobicContact CG-CE2 4.02Å; Y987-Y989 PolarHBondContact O-N 3.37Å; Y989-E993 HydrophobicContact CD1-CB 3.86Å; Y989-E993 HydrophobicContact CG-CB 4.1Å; Y989-Q994 PolarHBondContact O-NE2 3.35Å; Y989-Y997 HydrophobicContact CD1-CD2 4.12Å; Y989-Y997 HydrophobicContact CD1-CE2 4.39Å; Y989-Y997 HydrophobicContact CD2-CD2 4.32Å; Y989-Y997 AromaticContact CE1-CD2 3.75Å; Y989-Y997 HydrophobicContact CE1-CD2 3.75Å; Y989-Y997 AromaticContact CE1-CE2 3.89Å; Y989-Y997 HydrophobicContact CE1-CE2 3.89Å; Y989-Y997 AromaticContact CE2-CD2 3.96Å; Y989-Y997 HydrophobicContact CE2-CD2 3.96Å; Y989-Y997 HydrophobicContact CE2-CG 4.31Å; Y989-Y997 HydrophobicContact CG-CD2 4.39Å; Y989-Y997 AromaticContact CZ-CD2 3.66Å
990	G	61.4	Low	70	Confident	22 Å²	22	66.8 Å²	66.8	23%	0.227	36%	0.361	C	S	.	.			trans	-59.5	157.8	172.2	0	0	0	0	0	111.4	T992 E993 Q994	G990-T992 PolarHBondContact O-N 3.08Å; G990-E993 PolarHBondContact N-OE2 2.83Å; G990-E993 PolarHBondContact O-N 3Å; G990-Q994 PolarHBondContact O-N 3.38Å
991	P	52.8	Low	67.5	Low	106 Å²	106	67.7 Å²	67.7	69%	0.688	35%	0.352	S	S	*	.	H	α-helix	trans	-55.4	-26.5	179.6	-27.1	35.5	0	0	0	114.1
992	T	54.9	Low	64.8	Low	104 Å²	104	75 Å²	75	64%	0.638	38%	0.377	S	S	*	.	H	α-helix	trans	-79.3	-19.9	174.8	40.8	0	0	0	0	114.7	G990	G990-T992 PolarHBondContact O-N 3.08Å
993	E	55.9	Low	61.8	Low	76 Å²	76	80.6 Å²	80.6	36%	0.355	41%	0.408	S	S	.	.	H	α-helix	trans	-97.2	-35.7	179.9	-71.2	141.5	-142.3	0	0	111.6	Y989 G990 L995 K996 Y997	Y989-E993 HydrophobicContact CD1-CB 3.86Å; Y989-E993 HydrophobicContact CG-CB 4.1Å; G990-E993 PolarHBondContact N-OE2 2.83Å; G990-E993 PolarHBondContact O-N 3Å; E993-L995 PolarHBondContact O-N 3.22Å; E993-K996 WeakPolarHBondContact O-CA 3.21Å; E993-K996 WeakPolarHBondContact O-CB 3.45Å; E993-K996 PolarHBondContact O-N 3.42Å; E993-Y997 HydrophobicContact CB-CD2 4.47Å; E993-Y997 HydrophobicContact CB-CE2 4.48Å; E993-Y997 VanDerWaalsContact O-CD2 3.27Å; E993-Y997 WeakPolarHBondContact O-CD2 3.34Å; E993-Y997 PolarHBondContact O-N 2.83Å
994	Q	55.6	Low	59.1	Low	65 Å²	65	86.8 Å²	86.8	30%	0.304	45%	0.446	S	S	.	.	H	α-helix	trans	-53.2	-42.1	173.5	-68.3	177.4	15.8	0	0	111	Y989 G990 K996 Y997 V998	Y989-Q994 PolarHBondContact O-NE2 3.35Å; G990-Q994 PolarHBondContact O-N 3.38Å; Q994-K996 PolarHBondContact O-N 3.49Å; Q994-Y997 PolarHBondContact O-N 3.04Å; Q994-V998 HydrophobicContact CB-CG2 4.34Å; Q994-V998 WeakPolarHBondContact O-CB 3.3Å; Q994-V998 WeakPolarHBondContact O-CG2 3.48Å; Q994-V998 PolarHBondContact O-N 3.22Å
995	L	52.4	Low	56.2	Low	157 Å²	157	91.5 Å²	91.5	82%	0.822	47%	0.473	S	S	*	.	H	α-helix	trans	-63.9	-16.3	175.9	-68.6	170.1	0	0	0	114.9	E993	E993-L995 PolarHBondContact O-N 3.22Å
996	K	53.2	Low	53.4	Low	124 Å²	124	94.3 Å²	94.3	54%	0.539	50%	0.497	S	S	.	.	H	α-helix	trans	-89.9	-30.2	174.7	-64.3	-177.7	-179.6	178.9	0	113	M923 E993 Q994	M923-K996 HydrophobicContact CE-CB 4.2Å; E993-K996 WeakPolarHBondContact O-CA 3.21Å; E993-K996 WeakPolarHBondContact O-CB 3.45Å; E993-K996 PolarHBondContact O-N 3.42Å; Q994-K996 PolarHBondContact O-N 3.49Å
997	Y	53.9	Low	50.7	Low	48 Å²	48	96.5 Å²	96.5	19%	0.188	52%	0.522	C	S	.	.	H	α-helix	trans	-115.5	-19.9	-166.5	-60.1	-57.2	0	0	0	114.5	M923 Y989 E993 Q994 G999	M923-Y997 HydrophobicContact CB-CE1 4.01Å; M923-Y997 HydrophobicContact CE-CD1 4.32Å; M923-Y997 HydrophobicContact CE-CE1 3.89Å; M923-Y997 HydrophobicContact SD-CE1 3.85Å; Y989-Y997 HydrophobicContact CD1-CD2 4.12Å; Y989-Y997 HydrophobicContact CD1-CE2 4.39Å; Y989-Y997 HydrophobicContact CD2-CD2 4.32Å; Y989-Y997 AromaticContact CE1-CD2 3.75Å; Y989-Y997 HydrophobicContact CE1-CD2 3.75Å; Y989-Y997 AromaticContact CE1-CE2 3.89Å; Y989-Y997 HydrophobicContact CE1-CE2 3.89Å; Y989-Y997 AromaticContact CE2-CD2 3.96Å; Y989-Y997 HydrophobicContact CE2-CD2 3.96Å; Y989-Y997 HydrophobicContact CE2-CG 4.31Å; Y989-Y997 HydrophobicContact CG-CD2 4.39Å; Y989-Y997 AromaticContact CZ-CD2 3.66Å; E993-Y997 HydrophobicContact CB-CD2 4.47Å; E993-Y997 HydrophobicContact CB-CE2 4.48Å; E993-Y997 VanDerWaalsContact O-CD2 3.27Å; E993-Y997 WeakPolarHBondContact O-CD2 3.34Å; E993-Y997 PolarHBondContact O-N 2.83Å; Q994-Y997 PolarHBondContact O-N 3.04Å; Y997-G999 PolarHBondContact O-N 3.13Å; Y997-G999 VanDerWaalsContact O-N 3.1Å
998	V	53.5	Low	48.2	Very low	52 Å²	52	98.5 Å²	98.5	32%	0.315	54%	0.544	S	S	.	.			trans	-86.3	79	177	-175.9	0	0	0	0	110	Q994 I1000 E1001	Q994-V998 HydrophobicContact CB-CG2 4.34Å; Q994-V998 WeakPolarHBondContact O-CB 3.3Å; Q994-V998 WeakPolarHBondContact O-CG2 3.48Å; Q994-V998 PolarHBondContact O-N 3.22Å; V998-I1000 PolarHBondContact O-N 3.15Å; V998-I1000 VanDerWaalsContact O-N 3.09Å; V998-E1001 HydrophobicContact CG1-CG 4.12Å
999	G	45.1	Very low	46	Very low	57 Å²	57	96 Å²	96	59%	0.588	55%	0.547	S	S	*	.			trans	-76.3	84	172.3	0	0	0	0	0	112.2	Y997	Y997-G999 PolarHBondContact O-N 3.13Å; Y997-G999 VanDerWaalsContact O-N 3.1Å
1000	I	43.4	Very low	44.4	Very low	139 Å²	139	101.8 Å²	101.8	71%	0.713	58%	0.579	S	S	*	*			trans	60.5	85.3	172.5	-45.2	173.4	0	0	0	113.2	V998 R1002	V998-I1000 PolarHBondContact O-N 3.15Å; V998-I1000 VanDerWaalsContact O-N 3.09Å; I1000-R1002 PolarHBondContact O-N 2.8Å
1001	E	42.7	Very low	43	Very low	69 Å²	69	108 Å²	108	32%	0.322	61%	0.607	S	S	.	*			trans	-59.4	122.5	148.5	-68.5	-160.1	164.6	0	0	106.6	S951 V952 N953 V998 D1003	S951-E1001 WeakPolarHBondContact CA-OE1 3.48Å; S951-E1001 WeakPolarHBondContact CB-OE1 3.33Å; S951-E1001 PolarHBondContact OG-OE1 3.31Å; V952-E1001 PolarHBondContact N-OE1 2.95Å; N953-E1001 PolarHBondContact ND2-OE2 2.8Å; V998-E1001 HydrophobicContact CG1-CG 4.12Å; E1001-D1003 PolarHBondContact O-N 2.69Å
1002	R	38	Very low	42	Very low	193 Å²	193	110.4 Å²	110.4	73%	0.728	61%	0.614	S	S	*	*			trans	-65.2	122.6	178.9	-67.2	-177.7	-173.2	153	9.8	108.7	D881 I1000 T1004	D881-R1002 PolarHBondContact O-NH2 2.92Å; I1000-R1002 PolarHBondContact O-N 2.8Å; R1002-T1004 PolarHBondContact O-N 3.01Å
1003	D	34.8	Very low	41.1	Very low	130 Å²	130	110 Å²	110	70%	0.695	61%	0.613	S	S	*	*			trans	-50	110.9	177.1	-69.3	-55.5	0	0	0	110.6	E1001 D1005 A1006	E1001-D1003 PolarHBondContact O-N 2.69Å; D1003-D1005 PolarHBondContact O-N 2.91Å; D1003-A1006 WeakPolarHBondContact O-CB 3.35Å; D1003-A1006 PolarHBondContact O-N 2.97Å
1004	T	38.7	Very low	39.8	Very low	130 Å²	130	113.6 Å²	113.6	80%	0.798	63%	0.634	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.7	-11.9	-174.8	38.6	0	0	0	0	113.7	R1002	R1002-T1004 PolarHBondContact O-N 3.01Å
1005	D	33.8	Very low	38.6	Very low	133 Å²	133	117.1 Å²	117.1	71%	0.711	66%	0.664	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.2	-20.4	174.4	-63.6	-36.1	0	0	0	113.2	D1003 A1007 S1008	D1003-D1005 PolarHBondContact O-N 2.91Å; D1005-A1007 PolarHBondContact O-N 3.48Å; D1005-S1008 PolarHBondContact O-N 3.24Å; D1005-S1008 PolarHBondContact O-OG 3.06Å
1006	A	33.4	Very low	37.4	Very low	62 Å²	62	115 Å²	115	51%	0.512	66%	0.658	S	S	.	*	G	3₁₀ helix	trans	-67.5	-21.3	-176.8	0	0	0	0	0	113.8	D1003 S1008 V1009	D1003-A1006 WeakPolarHBondContact O-CB 3.35Å; D1003-A1006 PolarHBondContact O-N 2.97Å; A1006-S1008 PolarHBondContact O-N 2.81Å; A1006-V1009 PolarHBondContact O-N 3.32Å
1007	A	32.2	Very low	36.4	Very low	101 Å²	101	117.2 Å²	117.2	84%	0.835	67%	0.674	S	S	*	*	G	3₁₀ helix	trans	-67.7	-4.2	-178.7	0	0	0	0	0	114.5	D1005	D1005-A1007 PolarHBondContact O-N 3.48Å
1008	S	32.2	Very low	35.1	Very low	93 Å²	93	121.6 Å²	121.6	65%	0.65	70%	0.701	S	S	*	*	G	3₁₀ helix	trans	-99.7	-7.7	-177.5	64.6	0	0	0	0	115	D1005 A1006	D1005-S1008 PolarHBondContact O-N 3.24Å; D1005-S1008 PolarHBondContact O-OG 3.06Å; A1006-S1008 PolarHBondContact O-N 2.81Å
1009	V	31.4	Very low	34.3	Very low	117 Å²	117	126.3 Å²	126.3	71%	0.709	73%	0.73	S	S	*	*			trans	-121.3	33.3	-165.2	-154.3	0	0	0	0	113.9	A1006	A1006-V1009 PolarHBondContact O-N 3.32Å
1010	I	32.9	Very low	33.7	Very low	159 Å²	159	129.5 Å²	129.5	82%	0.815	74%	0.743	S	S	*	*			trans	-121.6	73	169	-49.8	-177.2	0	0	0	109.8
1011	N	33.2	Very low	33.2	Very low	153 Å²	153	127 Å²	127	82%	0.818	75%	0.752	S	S	*	*			trans	-123.1	89.6	169.4	-98.4	-53.6	0	0	0	109.8
1012	N	31.2	Very low	32.7	Very low	156 Å²	156	127 Å²	127	83%	0.834	77%	0.771	S	S	*	*			trans	68.1	164	169.3	-106.2	-22.1	0	0	0	116.6
1013	P	35.3	Very low	32.5	Very low	97 Å²	97	125.9 Å²	125.9	63%	0.63	78%	0.779	S	S	*	*			cis	-135	-178.7	-8.8	38.9	-20.6	0	0	0	115.8
1014	L	28.2	Very low	32.2	Very low	150 Å²	150	127.5 Å²	127.5	79%	0.785	79%	0.787	S	S	*	*			trans	71.2	107.5	161.1	-53.1	178.9	0	0	0	119
1015	C	31.1	Very low	31.8	Very low	139 Å²	139	128.2 Å²	128.2	94%	0.939	79%	0.786	S	S	*	*				-158	139.6	101.5	-125.3	0	0	0	0	112.3
1016	V	28.2	Very low	31.7	Very low	113 Å²	113	127.9 Å²	127.9	69%	0.685	79%	0.791	S	S	*	*			trans	-84.9	138.1	-166.3	171.5	0	0	0	0	112.9
1017	L	31.5	Very low	31.5	Very low	170 Å²	170	132.1 Å²	132.1	89%	0.89	81%	0.805	S	S	*	*			trans	-160.5	150.3	134.8	-107.6	168.6	0	0	0	111.4
1018	N	27.3	Very low	31.4	Very low	140 Å²	140	132.4 Å²	132.4	75%	0.749	80%	0.799	S	S	*	*			trans	-100.8	128.7	-162.7	-62.5	-36.4	0	0	0	114.2
1019	T	35	Very low	31.3	Very low	151 Å²	151	133.6 Å²	133.6	93%	0.926	81%	0.807	S	S	*	*			trans	-140.8	151.9	139.4	45.7	0	0	0	0	109.1
1020	S	33.6	Very low	31.3	Very low	124 Å²	124	134.8 Å²	134.8	87%	0.867	81%	0.81	S	S	*	*			trans	-118.1	130.9	-159.6	56.8	0	0	0	0	115.2
1021	G	32.1	Very low	31.5	Very low	87 Å²	87	133.4 Å²	133.4	90%	0.897	80%	0.803	S	S	*	*			trans	104.4	140.2	152.4	0	0	0	0	0	116.6
1022	G	32.3	Very low	31.4	Very low	70 Å²	70	130.4 Å²	130.4	72%	0.722	79%	0.792	S	S	*	*			trans	126.1	60.5	163.8	0	0	0	0	0	117.9
1023	D	34	Very low	31.8	Very low	168 Å²	168	129.5 Å²	129.5	90%	0.898	79%	0.786	S	S	*	*			trans	57.6	163.2	152.4	-60.9	-38.3	0	0	0	121.9
1024	L	28.5	Very low	31.9	Very low	164 Å²	164	132 Å²	132	86%	0.859	79%	0.794	S	S	*	*			trans	-102.4	135.7	-168.1	-69.2	155	0	0	0	112.2
1025	N	31.6	Very low	32.5	Very low	146 Å²	146	131.5 Å²	131.5	78%	0.781	79%	0.792	S	S	*	*			trans	-160.2	124.2	151.6	-101.3	-46.2	0	0	0	111.3	L1027	N1025-L1027 PolarHBondContact O-N 3.4Å
1026	P	30.4	Very low	32.6	Very low	126 Å²	126	127.1 Å²	127.1	82%	0.818	76%	0.763	S	S	*	*			trans	-80.5	84.5	173.4	33	-32.7	0	0	0	110.1	C1028	P1026-C1028 PolarHBondContact O-N 3.44Å
1027	L	30.1	Very low	33.3	Very low	151 Å²	151	126.5 Å²	126.5	79%	0.791	76%	0.755	S	S	*	*			trans	-73.3	121	170.9	-81.5	166.6	0	0	0	110.1	N1025	N1025-L1027 PolarHBondContact O-N 3.4Å
1028	C	28.6	Very low	33.5	Very low	107 Å²	107	124.3 Å²	124.3	72%	0.723	74%	0.74	S	S	*	*			trans	-55.5	148.6	168.7	-61.1	0	0	0	0	110.7	P1026 N1030	P1026-C1028 PolarHBondContact O-N 3.44Å; C1028-N1030 VanDerWaalsContact C-N 3.27Å; C1028-N1030 PolarHBondContact O-N 2.83Å
1029	S	30.2	Very low	34.2	Very low	117 Å²	117	121.2 Å²	121.2	82%	0.818	72%	0.722	S	S	*	*			trans	-68.9	76.7	-177.7	52.8	0	0	0	0	112.7	I1031	S1029-I1031 PolarHBondContact O-N 3.05Å
1030	N	31.5	Very low	34	Very low	142 Å²	142	122 Å²	122	76%	0.759	73%	0.73	S	S	*	*			trans	-64.4	102.3	162.8	-74.6	-44.8	0	0	0	108.6	C1028	C1028-N1030 VanDerWaalsContact C-N 3.27Å; C1028-N1030 PolarHBondContact O-N 2.83Å
1031	I	36.9	Very low	34	Very low	131 Å²	131	122 Å²	122	67%	0.672	72%	0.724	S	S	*	*			trans	-57.9	125.4	167.5	-60.6	174.1	0	0	0	107.3	S1029 L1033	S1029-I1031 PolarHBondContact O-N 3.05Å; I1031-L1033 PolarHBondContact O-N 3.27Å
1032	P	32.8	Very low	34.1	Very low	90 Å²	90	123.8 Å²	123.8	58%	0.584	72%	0.715	S	S	*	*			trans	-65.2	125.6	-179.9	25.7	-33.1	0	0	0	110	N1034	P1032-N1034 PolarHBondContact O-N 3.28Å
1033	L	38.2	Very low	34.2	Very low	137 Å²	137	126.8 Å²	126.8	72%	0.717	71%	0.714	S	S	*	*	G	3₁₀ helix	trans	-59.1	-6.9	-176.2	-84.7	157.3	0	0	0	115.2	I1031 N1035 C1036	I1031-L1033 PolarHBondContact O-N 3.27Å; L1033-N1035 VanDerWaalsContact C-N 3.28Å; L1033-N1035 PolarHBondContact O-N 2.87Å; L1033-C1036 PolarHBondContact O-N 2.78Å
1034	N	38	Very low	34.2	Very low	149 Å²	149	124.4 Å²	124.4	80%	0.797	70%	0.703	S	S	*	*	G	3₁₀ helix	trans	-70.6	-15.5	-172.3	-65.1	2.2	0	0	0	114.7	P1032	P1032-N1034 PolarHBondContact O-N 3.28Å
1035	N	40.7	Very low	34.6	Very low	139 Å²	139	121.9 Å²	121.9	74%	0.743	69%	0.694	S	S	*	*	G	3₁₀ helix	trans	-102.3	6.6	179.3	-73.1	13.4	0	0	0	113.9	L1033	L1033-N1035 VanDerWaalsContact C-N 3.28Å; L1033-N1035 PolarHBondContact O-N 2.87Å
1036	C	32.3	Very low	34.8	Very low	48 Å²	48	120.3 Å²	120.3	32%	0.324	69%	0.688	S	S	.	*			trans	-82.2	117.4	177.1	-71.9	0	0	0	0	111.6	L1033 E1038	L1033-C1036 PolarHBondContact O-N 2.78Å; C1036-E1038 PolarHBondContact O-N 3.06Å
1037	I	43.9	Very low	35.1	Very low	100 Å²	100	119.9 Å²	119.9	51%	0.513	68%	0.678	S	S	.	*			trans	-86.3	98.1	173.1	-52.1	179.7	0	0	0	109	W885 I1039	W885-I1037 HydrophobicContact CH2-CD1 4.3Å; I1037-I1039 VanDerWaalsContact C-N 3.28Å; I1037-I1039 HydrophobicContact CG2-CG1 3.77Å; I1037-I1039 PolarHBondContact O-N 3.07Å
1038	E	35.9	Very low	35.5	Very low	123 Å²	123	117.5 Å²	117.5	58%	0.575	67%	0.67	S	S	*	*			trans	-72.6	83.2	168.7	-74.7	-160.6	151.5	0	0	110.3	K890 C1036	K890-E1038 IonicContact NZ-OE1 2.92Å; K890-E1038 PolarHBondContact NZ-OE1 3.43Å; C1036-E1038 PolarHBondContact O-N 3.06Å
1039	I	42.2	Very low	36	Very low	75 Å²	75	118.3 Å²	118.3	39%	0.385	67%	0.665	S	S	.	*			trans	-69.1	129.2	164.1	-52.8	178.6	0	0	0	107.9	M877 K944 I1037	M877-I1039 HydrophobicContact SD-CD1 4.22Å; K944-I1039 VanDerWaalsContact CE-O 3.29Å; K944-I1039 WeakPolarHBondContact CE-O 3.02Å; K944-I1039 PolarHBondContact NZ-O 2.7Å; I1037-I1039 VanDerWaalsContact C-N 3.28Å; I1037-I1039 HydrophobicContact CG2-CG1 3.77Å; I1037-I1039 PolarHBondContact O-N 3.07Å
1040	P	30.1	Very low	36.6	Very low	169 Å²	169	118.5 Å²	118.5	100%	1.097	65%	0.652	S	S	*	*			trans	-63.5	0	-179.5	24.9	-33.8	0	0	0	113.7

Retrieved 1,040 of 1,040 residues in 148.1 ms (Link to these results)

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