A0A087XVK1_POEFO Loading...

Tyrosine-protein kinase

AlphaFold DB , UniProt , Accession A0A087XVK1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,174 aa.

						>A0A087XVK1_POEFO|A0A087XVK1
MSTSFVMELSRQLCMKMRKSKKTQFSSLPASTLGLEIHFYIPEIRHLEYIKGTYTAEELCVTAAKKCTISPLCHNLFALYNDATGTWYSPSHEFDIKEDSGIKLHYRMRFYFKNWHGTTEGESPVWRHCLNKLRGQSPQKTPEGTPLLDVGSLEYLYFQCQHDFQTGKAPLRAAQSEAEQHEIENECLGMAVLAITHYAKDIGIPFSAASREMSYKRFIPESLNSIIKQRNILTRIRISNVFKKFLAEFNTQTVGESNITCYDLKIKYLATMEGLTSRMGCELFEPVSLVITQEKELSNGGYYGYYNQSQLQTKCQNQNLEASSDMQVLVIGTTGISWRQKPAAVPVMPKDKSKSKSKQDEKQKNRNKETDDGWVVFCDFHMITHTVIKETTVTIMRQDNKKMELQLLSRAEALSFVALVDGYFRLIVDAHHYLCKEVAPALVVQNTETGCHGPICTEYAVQKLRQEGNEEGTYILRWSCTEYNFIIITVVCHEIDSFTIQYKNFQIEVDSDGYRLYGTDTSRPTLKELLEHLERQCLHTDNMQFQLRRCCPPQPRGEISNLLVVTKERASICQPTKHERELCIFHRIPKEDIEQEEHLGVGTKTNIYLGTLRVKNEEDEDAGYTSFQEVKVVLKVLGSGHRDISLAFFETANMMRQVSHKHIVLLYGVCVRHQEKDIMVEEYVQLGPLDVFIRRQQSPLSTRWKFQVAKQLASALSYLEDKKLVHGFVCAKNILLARDGLDEEEGEPFIKLSDPGIPITVLSREECVHRIPWIAPECVRNTSELSVAADKWGFGTTLWEICYDGEVPLKEKKLTEKERFYEAEFQLATPDYKELAELMTRCMNYDPKKRPFFRAIVRDLDVLEEKSPFIKPCPIQPVDPTVFETRFLRKIRELGEGHFGKVELCRYDPRGDRTGEMVAVKSLKPENGEEQSNNLLKEIEILKALYHENIVKYKGISQEEGGKTIKLIMEYLPLGSLKEYLPRYKSQTSLGTLLSYCIQICRGMDYLGSRNYIHRDLAARNVLVEKEGMVKIGDFGLTKSLKENNGYYTVKDENDSPVFWYAPECLTQCKFYLASDVWSFGVTMYEIITYCDSSKSPMTCFLDMIGRAQGQMTIVRLVNVLQEGKRLACPEGCPGRVYELMRKCWEHTPERRITFKRLIEELSILQQHHQQNSL
					

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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	41.8	Very low	40.2	Very low	230 Å²	230	122.5 Å²	122.5	100%	1.133	65%	0.646	S	S	*	*				0	126.5	0	-72.8	-178.8	-164.5	0	0	108.2
2	S	35.7	Very low	40.2	Very low	83 Å²	83	122.3 Å²	122.3	58%	0.58	64%	0.639	S	S	*	*			trans	-74.8	151.2	-167.6	47	0	0	0	0	113.7	S4 F5	S2-S4 PolarHBondContact O-N 3.39Å; S2-F5 PolarHBondContact O-N 3.43Å
3	T	37.4	Very low	40.1	Very low	122 Å²	122	120.6 Å²	120.6	75%	0.748	63%	0.63	S	S	*	*	T	Hydrogen-bonded Turn	trans	-48.6	-13.5	172.9	36.2	0	0	0	0	115.8
4	S	39.3	Very low	39.7	Very low	83 Å²	83	118.2 Å²	118.2	58%	0.58	63%	0.627	S	S	*	*	H	α-helix	trans	-68.8	-34	170	174.7	0	0	0	0	113.7	S2 V6 M7 E8	S2-S4 PolarHBondContact O-N 3.39Å; S4-V6 VanDerWaalsContact C-N 3.35Å; S4-V6 PolarHBondContact O-N 2.98Å; S4-M7 PolarHBondContact O-N 3.3Å; S4-E8 PolarHBondContact O-N 2.89Å
5	F	40.3	Very low	39.3	Very low	143 Å²	143	119.9 Å²	119.9	63%	0.627	63%	0.633	S	S	*	*	H	α-helix	trans	-73.8	-26.7	-177.1	-152.6	-98.7	0	0	0	112.8	S2 L9	S2-F5 PolarHBondContact O-N 3.43Å; F5-L9 PolarHBondContact O-N 3.36Å
6	V	43.8	Very low	38.9	Very low	106 Å²	106	123 Å²	123	64%	0.642	64%	0.639	S	S	*	*	H	α-helix	trans	-79.7	-29.3	178.7	-178.4	0	0	0	0	111.6	S4 S10	S4-V6 VanDerWaalsContact C-N 3.35Å; S4-V6 PolarHBondContact O-N 2.98Å; V6-S10 PolarHBondContact O-N 3.01Å; V6-S10 PolarHBondContact O-OG 3.4Å
7	M	41.1	Very low	38.5	Very low	138 Å²	138	124.8 Å²	124.8	68%	0.68	65%	0.646	S	S	*	*	H	α-helix	trans	-74.2	-36	173.5	-72.7	-162.9	-155.9	0	0	112.6	S4 S10 R11	S4-M7 PolarHBondContact O-N 3.3Å; M7-S10 WeakPolarHBondContact CA-OG 3.41Å; M7-S10 PolarHBondContact O-N 3.42Å; M7-S10 PolarHBondContact O-OG 2.94Å; M7-R11 WeakPolarHBondContact O-CB 3.39Å; M7-R11 PolarHBondContact O-N 3.09Å
8	E	39.9	Very low	38.1	Very low	101 Å²	101	130.6 Å²	130.6	47%	0.472	66%	0.658	S	S	.	*	H	α-helix	trans	-70.4	-37.4	178.1	-158	63.7	-149.1	0	0	111.6	S4 R11 Q12	S4-E8 PolarHBondContact O-N 2.89Å; E8-R11 PolarHBondContact O-N 3.32Å; E8-Q12 WeakPolarHBondContact O-CB 3.44Å; E8-Q12 WeakPolarHBondContact O-CG 3.4Å; E8-Q12 PolarHBondContact O-N 3.21Å
9	L	41.5	Very low	37.9	Very low	100 Å²	100	133.9 Å²	133.9	52%	0.524	67%	0.668	S	S	.	*	H	α-helix	trans	-67.3	-38	175.8	-149.5	83.3	0	0	0	112.1	F5 L13	F5-L9 PolarHBondContact O-N 3.36Å; L9-L13 HydrophobicContact CG-CD1 4.4Å; L9-L13 WeakPolarHBondContact O-CB 3.44Å; L9-L13 WeakPolarHBondContact O-CD1 3.5Å; L9-L13 PolarHBondContact O-N 3.5Å
10	S	39.7	Very low	37.7	Very low	64 Å²	64	132.2 Å²	132.2	45%	0.448	67%	0.669	S	S	.	*	H	α-helix	trans	-75.3	-27.1	177.4	42.1	0	0	0	0	112.8	V6 M7 C14	V6-S10 PolarHBondContact O-N 3.01Å; V6-S10 PolarHBondContact O-OG 3.4Å; M7-S10 WeakPolarHBondContact CA-OG 3.41Å; M7-S10 PolarHBondContact O-N 3.42Å; M7-S10 PolarHBondContact O-OG 2.94Å; S10-C14 WeakPolarHBondContact O-CB 3.47Å; S10-C14 PolarHBondContact O-N 2.99Å; S10-C14 VanDerWaalsContact O-N 3.07Å
11	R	41.7	Very low	37.7	Very low	178 Å²	178	135.3 Å²	135.3	67%	0.672	68%	0.678	S	S	*	*	H	α-helix	trans	-74.4	-37.5	171.1	-141.4	176.1	-175.1	-173.3	0.9	112.5	M7 E8 C14 M15	M7-R11 WeakPolarHBondContact O-CB 3.39Å; M7-R11 PolarHBondContact O-N 3.09Å; E8-R11 PolarHBondContact O-N 3.32Å; R11-C14 PolarHBondContact O-N 3.45Å; R11-M15 WeakPolarHBondContact O-CG 3.38Å; R11-M15 PolarHBondContact O-N 3.2Å; R11-M15 VanDerWaalsContact O-N 3.09Å
12	Q	40.3	Very low	37.2	Very low	119 Å²	119	134.4 Å²	134.4	56%	0.556	67%	0.668	S	S	*	*	H	α-helix	trans	-72	-33.9	174.5	-72.2	-173.6	5.7	0	0	113	E8 M15 K16	E8-Q12 WeakPolarHBondContact O-CB 3.44Å; E8-Q12 WeakPolarHBondContact O-CG 3.4Å; E8-Q12 PolarHBondContact O-N 3.21Å; Q12-M15 PolarHBondContact O-N 3.47Å; Q12-K16 PolarHBondContact O-N 2.93Å
13	L	38.6	Very low	36.8	Very low	101 Å²	101	136.2 Å²	136.2	53%	0.529	68%	0.676	S	S	.	*	H	α-helix	trans	-69.1	-38.3	171.6	-87.7	153.8	0	0	0	112.3	L9 M15 K16 M17	L9-L13 HydrophobicContact CG-CD1 4.4Å; L9-L13 WeakPolarHBondContact O-CB 3.44Å; L9-L13 WeakPolarHBondContact O-CD1 3.5Å; L9-L13 PolarHBondContact O-N 3.5Å; L13-M15 VanDerWaalsContact C-N 3.32Å; L13-M15 PolarHBondContact O-N 3.48Å; L13-K16 PolarHBondContact O-N 3.07Å; L13-M17 WeakPolarHBondContact O-CB 3.36Å; L13-M17 PolarHBondContact O-N 2.97Å
14	C	34.7	Very low	36.4	Very low	87 Å²	87	139.4 Å²	139.4	59%	0.588	68%	0.682	S	S	*	*	H	α-helix	trans	-66.4	-29.2	172.1	-94.2	0	0	0	0	113.6	S10 R11	S10-C14 WeakPolarHBondContact O-CB 3.47Å; S10-C14 PolarHBondContact O-N 2.99Å; S10-C14 VanDerWaalsContact O-N 3.07Å; R11-C14 PolarHBondContact O-N 3.45Å
15	M	34	Very low	35.9	Very low	144 Å²	144	145 Å²	145	71%	0.709	70%	0.696	S	S	*	*	H	α-helix	trans	-77.7	-34.9	173.6	-74.8	-101.2	-170.6	0	0	112.6	R11 Q12 L13	R11-M15 WeakPolarHBondContact O-CG 3.38Å; R11-M15 PolarHBondContact O-N 3.2Å; R11-M15 VanDerWaalsContact O-N 3.09Å; Q12-M15 PolarHBondContact O-N 3.47Å; L13-M15 VanDerWaalsContact C-N 3.32Å; L13-M15 PolarHBondContact O-N 3.48Å
16	K	32.4	Very low	35.2	Very low	169 Å²	169	142.2 Å²	142.2	74%	0.735	69%	0.694	S	S	*	*	H	α-helix	trans	-75.3	-32.9	175.1	-87.6	-175.4	173.4	177.6	0	113.4	Q12 L13 R18 K19	Q12-K16 PolarHBondContact O-N 2.93Å; L13-K16 PolarHBondContact O-N 3.07Å; K16-R18 PolarHBondContact O-N 2.65Å; K16-K19 PolarHBondContact O-N 3.26Å
17	M	32.4	Very low	34.4	Very low	154 Å²	154	142 Å²	142	76%	0.759	70%	0.697	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.4	-10.2	174.3	-78.6	179.1	41.7	0	0	114.4	L13	L13-M17 WeakPolarHBondContact O-CB 3.36Å; L13-M17 PolarHBondContact O-N 2.97Å
18	R	32	Very low	34	Very low	229 Å²	229	143.3 Å²	143.3	86%	0.864	71%	0.706	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.5	-1.8	169.6	-92.7	-178.1	172	-179.5	-2	114.3	K16	K16-R18 PolarHBondContact O-N 2.65Å
19	K	33.9	Very low	33.8	Very low	194 Å²	194	143 Å²	143	84%	0.843	71%	0.713	S	S	*	*	S	Bend	trans	-123.2	4	-176.1	-91.3	-172.8	176.3	-177.8	0	117.4	K16	K16-K19 PolarHBondContact O-N 3.26Å
20	S	34.4	Very low	33.6	Very low	98 Å²	98	142.4 Å²	142.4	69%	0.685	72%	0.723	S	S	*	*	S	Bend	trans	-132.2	75	172.9	77.6	0	0	0	0	113.9
21	K	36	Very low	34	Very low	199 Å²	199	144.1 Å²	144.1	87%	0.865	74%	0.735	S	S	*	*			trans	-176.7	58.2	139.5	-99.7	-178.4	-176.4	-174.7	0	107.9	T23	K21-T23 VanDerWaalsContact C-N 3.31Å
22	K	31.2	Very low	34.5	Very low	210 Å²	210	138.6 Å²	138.6	91%	0.913	72%	0.721	S	S	*	*			trans	-95	74.8	145.4	-89.4	-173.6	173	-175.4	0	105.5	Q24	K22-Q24 PolarHBondContact O-N 3.33Å
23	T	28.8	Very low	36.1	Very low	122 Å²	122	137.3 Å²	137.3	75%	0.748	72%	0.718	S	S	*	*			trans	-64.2	124.3	147	25.7	0	0	0	0	105.3	K21 F25	K21-T23 VanDerWaalsContact C-N 3.31Å; T23-F25 PolarHBondContact O-N 3.35Å
24	Q	28.1	Very low	38.3	Very low	189 Å²	189	132.8 Å²	132.8	88%	0.883	70%	0.695	S	S	*	*			trans	-43.4	103.3	-174.3	-72.2	153.8	-40.8	0	0	111.3	K22 S26	K22-Q24 PolarHBondContact O-N 3.33Å; Q24-S26 VanDerWaalsContact C-N 3.35Å; Q24-S26 PolarHBondContact O-N 2.94Å
25	F	28.1	Very low	41	Very low	199 Å²	199	128.7 Å²	128.7	87%	0.873	67%	0.668	S	S	*	*				-62.2	115.5	129	-84	-88.1	0	0	0	103.6	T23 S27	T23-F25 PolarHBondContact O-N 3.35Å; F25-S27 PolarHBondContact O-N 3.33Å
26	S	25.6	Very low	43.9	Very low	85 Å²	85	122.8 Å²	122.8	59%	0.594	64%	0.638	S	S	*	*			trans	-39.7	136.5	155	48.7	0	0	0	0	107.3	Q24 L28	Q24-S26 VanDerWaalsContact C-N 3.35Å; Q24-S26 PolarHBondContact O-N 2.94Å; S26-L28 PolarHBondContact O-N 3.24Å
27	S	27.8	Very low	46.9	Very low	101 Å²	101	114.7 Å²	114.7	71%	0.706	60%	0.603	S	S	*	*			trans	-25.2	133.4	157.1	44	0	0	0	0	110.3	F25 P29	F25-S27 PolarHBondContact O-N 3.33Å; S27-P29 WeakPolarHBondContact O-CD 3.35Å
28	L	32.3	Very low	49.9	Very low	166 Å²	166	109.7 Å²	109.7	87%	0.869	58%	0.577	S	S	*	*			trans	-35	116.2	164.1	-90.4	115.4	0	0	0	106.9	S26 A30	S26-L28 PolarHBondContact O-N 3.24Å; L28-A30 PolarHBondContact O-N 3.34Å
29	P	35.3	Very low	52.9	Low	95 Å²	95	99.9 Å²	99.9	62%	0.617	54%	0.541	S	S	*	.			trans	-55.5	134	165.9	-14.3	27.7	0	0	0	104.6	S27 S31	S27-P29 WeakPolarHBondContact O-CD 3.35Å; P29-S31 PolarHBondContact O-N 3.08Å
30	A	37.8	Very low	55.8	Low	87 Å²	87	91.5 Å²	91.5	72%	0.719	51%	0.505	S	S	*	.			trans	-41.2	132.7	164.3	0	0	0	0	0	107.4	L28 T32	L28-A30 PolarHBondContact O-N 3.34Å; A30-T32 PolarHBondContact O-N 2.82Å
31	S	47.9	Very low	58.5	Low	101 Å²	101	87.4 Å²	87.4	71%	0.706	48%	0.475	S	S	*	.			trans	-42.9	107.6	178.5	53.2	0	0	0	0	108.4	P29 L33	P29-S31 PolarHBondContact O-N 3.08Å; S31-L33 PolarHBondContact O-N 3.21Å
32	T	52.2	Low	60.7	Low	61 Å²	61	82.6 Å²	82.6	37%	0.374	46%	0.464	S	S	.	.			trans	-65.3	106	175.9	20.4	0	0	0	0	105.1	A30 G34 E36	A30-T32 PolarHBondContact O-N 2.82Å; T32-G34 PolarHBondContact O-N 3.08Å; T32-E36 PolarHBondContact OG1-OE1 3.41Å
33	L	75.6	Confident	63.2	Low	93 Å²	93	79 Å²	79	49%	0.487	45%	0.45	S	S	.	.			trans	-69.9	127.5	175.6	-61.1	159.8	0	0	0	107	S31 E98 S100	S31-L33 PolarHBondContact O-N 3.21Å; L33-E98 WeakPolarHBondContact CB-O 3.48Å; L33-E98 WeakPolarHBondContact CD1-O 3.37Å; L33-S100 CarbonylContact C-O 3.55Å
34	G	84.3	Confident	66.1	Low	6 Å²	6	75 Å²	75	6%	0.062	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	150	-159.8	-174.8	0	0	0	0	0	113.2	T32 Y49 S100 I102	T32-G34 PolarHBondContact O-N 3.08Å; G34-Y49 CarbonylContact C-O 3.49Å; G34-Y49 VanDerWaalsContact CA-O 3.29Å; G34-Y49 WeakPolarHBondContact CA-O 3.38Å; G34-S100 PolarHBondContact N-O 3.3Å; G34-S100 CarbonylContact O-C 3.45Å; G34-S100 VanDerWaalsContact O-O 3.1Å; G34-I102 PolarHBondContact O-N 3.03Å; G34-I102 VanDerWaalsContact O-N 3.07Å
35	L	91.8	Very high	69	Low	1 Å²	1	76.1 Å²	76.1	1%	0.005	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	129	172	-177.8	150.9	0	0	0	110	I37 E48 Y49 L59 F94 I96 I102 L104	L35-I37 HydrophobicContact CD2-CD1 4.19Å; L35-I37 HydrophobicContact CD2-CG1 3.65Å; L35-E48 WeakPolarHBondContact O-CA 3.4Å; L35-Y49 HydrophobicContact CD2-CD2 3.88Å; L35-Y49 PolarHBondContact N-O 2.92Å; L35-Y49 PolarHBondContact O-N 3.23Å; L35-L59 HydrophobicContact CD1-CD1 4.33Å; L35-L59 HydrophobicContact CD2-CD1 4.21Å; L35-F94 HydrophobicContact CD1-CB 3.99Å; L35-F94 HydrophobicContact CD1-CD1 3.78Å; L35-F94 HydrophobicContact CD1-CD2 4.36Å; L35-F94 HydrophobicContact CD1-CE1 4.33Å; L35-F94 HydrophobicContact CD1-CG 3.78Å; L35-I96 HydrophobicContact CB-CD1 3.6Å; L35-I96 HydrophobicContact CB-CG1 4.01Å; L35-I96 HydrophobicContact CB-CG2 4.26Å; L35-I96 HydrophobicContact CD1-CD1 3.99Å; L35-I96 HydrophobicContact CD1-CG1 4.19Å; L35-I96 HydrophobicContact CG-CD1 4.3Å; L35-I102 WeakPolarHBondContact CA-O 3.4Å; L35-I102 HydrophobicContact CB-CB 4.34Å; L35-I102 HydrophobicContact CD1-CB 4.33Å; L35-I102 HydrophobicContact CD1-CD1 4.45Å; L35-I102 HydrophobicContact CD1-CG2 4.08Å; L35-I102 HydrophobicContact CG-CB 4.21Å; L35-I102 HydrophobicContact CG-CG2 4.21Å; L35-L104 HydrophobicContact CD1-CD1 4Å; L35-L104 HydrophobicContact CD2-CD1 4.38Å; L35-L104 HydrophobicContact CG-CD1 4.35Å
36	E	93.9	Very high	72	Confident	19 Å²	19	69.8 Å²	69.8	9%	0.089	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	130.9	177.3	-63.3	176.7	177.6	0	0	111.1	T32 H38 L47 E48 I102 K103 L104	T32-E36 PolarHBondContact OG1-OE1 3.41Å; E36-H38 WeakPolarHBondContact CB-NE2 3.43Å; E36-H38 IonicContact OE2-CE1 3.22Å; E36-H38 IonicContact OE2-NE2 2.67Å; E36-H38 PolarHBondContact OE2-NE2 2.87Å; E36-L47 CarbonylContact C-O 3.44Å; E36-L47 VanDerWaalsContact CA-O 3.29Å; E36-L47 WeakPolarHBondContact CA-O 3.19Å; E36-E48 HydrophobicContact CG-CG 4.49Å; E36-I102 PolarHBondContact N-O 3.06Å; E36-K103 WeakPolarHBondContact OE2-CE 3.35Å; E36-K103 IonicContact OE2-NZ 3.24Å; E36-L104 PolarHBondContact O-N 3.46Å
37	I	95.8	Very high	75.2	Confident	0 Å²	0	67 Å²	67	0%	0	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	111.9	171.2	-51.5	178.1	0	0	0	109.3	L35 F39 H46 L47 Y49 L59 L79 L104	L35-I37 HydrophobicContact CD2-CD1 4.19Å; L35-I37 HydrophobicContact CD2-CG1 3.65Å; I37-F39 HydrophobicContact CG2-CE1 4.47Å; I37-F39 HydrophobicContact CG2-CZ 4.33Å; I37-H46 CarbonylContact O-C 3.52Å; I37-H46 WeakPolarHBondContact O-CA 3.4Å; I37-H46 WeakPolarHBondContact O-CB 3.27Å; I37-L47 HydrophobicContact CB-CB 4.19Å; I37-L47 PolarHBondContact N-O 3.14Å; I37-L47 PolarHBondContact O-N 3.44Å; I37-Y49 HydrophobicContact CD1-CE2 3.87Å; I37-Y49 HydrophobicContact CG1-CE2 4.38Å; I37-L59 HydrophobicContact CD1-CB 3.76Å; I37-L59 HydrophobicContact CD1-CD1 4.27Å; I37-L59 HydrophobicContact CD1-CD2 4.09Å; I37-L59 HydrophobicContact CD1-CG 4.25Å; I37-L79 HydrophobicContact CD1-CD2 4.37Å; I37-L79 HydrophobicContact CG2-CD2 4.13Å; I37-L104 CarbonylContact C-O 3.55Å; I37-L104 WeakPolarHBondContact CA-O 3.45Å
38	H	95.1	Very high	78.3	Confident	48 Å²	48	67 Å²	67	22%	0.222	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	149.5	-179.4	-69.7	-94.1	0	0	0	111.4	E36 L104 H105 Y106	E36-H38 WeakPolarHBondContact CB-NE2 3.43Å; E36-H38 IonicContact OE2-CE1 3.22Å; E36-H38 IonicContact OE2-NE2 2.67Å; E36-H38 PolarHBondContact OE2-NE2 2.87Å; H38-L104 PolarHBondContact N-O 3.38Å; H38-H105 VanDerWaalsContact CB-CD2 3.48Å; H38-H105 WeakPolarHBondContact CB-CD2 3.43Å; H38-H105 WeakPolarHBondContact O-CA 3.37Å; H38-Y106 PolarHBondContact O-N 2.64Å; H38-Y106 VanDerWaalsContact O-N 3.09Å
39	F	96.1	Very high	81.1	Confident	23 Å²	23	60.6 Å²	60.6	10%	0.101	33%	0.325	C	S	.	.			trans	-121.6	151.3	-178.7	-57.9	-77.9	0	0	0	110.6	I37 I44 R45 L47 A63 K66 C67 Y106 Y155	I37-F39 HydrophobicContact CG2-CE1 4.47Å; I37-F39 HydrophobicContact CG2-CZ 4.33Å; F39-I44 HydrophobicContact CB-CB 4.3Å; F39-I44 HydrophobicContact CB-CG2 4.26Å; F39-I44 HydrophobicContact CD2-CB 4.37Å; F39-I44 HydrophobicContact CD2-CG2 3.52Å; F39-I44 HydrophobicContact CE2-CG2 3.96Å; F39-I44 HydrophobicContact CG-CB 4.45Å; F39-I44 HydrophobicContact CG-CG2 3.87Å; F39-R45 WeakPolarHBondContact CD2-O 3.45Å; F39-R45 WeakPolarHBondContact CE2-O 3.46Å; F39-L47 HydrophobicContact CE2-CD1 4.36Å; F39-L47 HydrophobicContact CE2-CG 4.01Å; F39-L47 HydrophobicContact CZ-CD1 3.81Å; F39-L47 HydrophobicContact CZ-CG 3.97Å; F39-A63 HydrophobicContact CE1-CB 3.75Å; F39-A63 HydrophobicContact CZ-CB 4.09Å; F39-K66 HydrophobicContact CE2-CD 3.88Å; F39-K66 HydrophobicContact CZ-CD 4.03Å; F39-C67 WeakPolarHBondContact CD1-SG 3.28Å; F39-Y106 HydrophobicContact CD1-CD1 4.15Å; F39-Y106 HydrophobicContact CE1-CD1 4.07Å; F39-Y106 HydrophobicContact CE1-CG 4.25Å; F39-Y155 HydrophobicContact CB-CE2 4.37Å; F39-Y155 HydrophobicContact CD1-CE2 4.03Å
40	Y	93.9	Very high	83.5	Confident	19 Å²	19	61 Å²	61	8%	0.075	32%	0.321	C	S	.	.	S	Bend	trans	-81.7	-17.9	177.9	-62.3	-76.3	0	0	0	113.5	P42 H105 Y106 R107 Y155 Q159 H162	Y40-P42 WeakPolarHBondContact O-CD 3.37Å; Y40-H105 HydrophobicContact CE2-CB 4.46Å; Y40-Y106 VanDerWaalsContact CE2-O 3.32Å; Y40-Y106 WeakPolarHBondContact CE2-O 3.46Å; Y40-R107 HydrophobicContact CE2-CB 4.09Å; Y40-R107 HydrophobicContact CE2-CG 3.92Å; Y40-R107 PolarHBondContact OH-NH1 3.32Å; Y40-R107 VanDerWaalsContact OH-NH1 3.08Å; Y40-Y155 AromaticContact CD2-CE1 3.65Å; Y40-Y155 HydrophobicContact CD2-CE1 3.65Å; Y40-Y155 AromaticContact CD2-CZ 3.85Å; Y40-Y155 HydrophobicContact CE2-CE1 4.31Å; Y40-Q159 HydrophobicContact CD2-CB 3.73Å; Y40-Q159 HydrophobicContact CD2-CG 3.89Å; Y40-Q159 HydrophobicContact CE2-CB 4.19Å; Y40-Q159 HydrophobicContact CE2-CG 3.79Å; Y40-Q159 HydrophobicContact CG-CB 3.98Å; Y40-Q159 HydrophobicContact CG-CG 4.36Å; Y40-H162 HydrophobicContact CD1-CB 3.74Å; Y40-H162 AromaticContact CD1-CG 3.69Å; Y40-H162 AromaticContact CD1-ND1 3.96Å; Y40-H162 HydrophobicContact CE1-CB 4.17Å; Y40-H162 AromaticContact CE1-CE1 4Å; Y40-H162 AromaticContact CE1-CG 3.76Å; Y40-H162 AromaticContact CE1-ND1 3.52Å
41	I	90.9	Very high	85.9	Confident	12 Å²	12	63.4 Å²	63.4	6%	0.062	32%	0.315	C	S	.	.	S	Bend	trans	-77.8	115.7	177.7	-58.4	-179.9	0	0	0	108.5	E43 I44 E154 Y155 F158	I41-E43 WeakPolarHBondContact CG2-OE2 2.91Å; I41-E43 PolarHBondContact O-N 3.02Å; I41-E43 VanDerWaalsContact O-N 3.14Å; I41-I44 HydrophobicContact CB-CB 4.4Å; I41-I44 HydrophobicContact CB-CD1 3.85Å; I41-I44 HydrophobicContact CB-CG1 3.95Å; I41-I44 HydrophobicContact CD1-CD1 3.75Å; I41-I44 HydrophobicContact CG1-CD1 4.3Å; I41-I44 HydrophobicContact CG2-CD1 4.01Å; I41-I44 HydrophobicContact CG2-CG1 3.83Å; I41-I44 PolarHBondContact O-N 3.29Å; I41-I44 VanDerWaalsContact O-N 3.1Å; I41-E154 HydrophobicContact CD1-CG 4.25Å; I41-Y155 HydrophobicContact CD1-CD2 3.69Å; I41-Y155 HydrophobicContact CD1-CE2 4.38Å; I41-Y155 HydrophobicContact CD1-CG 4.47Å; I41-Y155 HydrophobicContact CG1-CD2 4Å; I41-Y155 HydrophobicContact CG1-CE2 4.37Å; I41-F158 HydrophobicContact CB-CD2 4.49Å; I41-F158 HydrophobicContact CG1-CB 4.43Å; I41-F158 HydrophobicContact CG1-CD2 3.85Å; I41-F158 HydrophobicContact CG1-CG 4.42Å; I41-F158 HydrophobicContact CG2-CE2 4.46Å
42	P	82.5	Confident	87.9	Confident	98 Å²	98	60 Å²	60	64%	0.636	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-28.9	-172.6	-25.7	34.8	0	0	0	115.1	Y40 I44 F158	Y40-P42 WeakPolarHBondContact O-CD 3.37Å; P42-I44 VanDerWaalsContact C-N 3.34Å; P42-F158 HydrophobicContact CG-CE1 4.5Å
43	E	84.4	Confident	89.8	Confident	135 Å²	135	61.1 Å²	61.1	63%	0.631	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.5	-20.5	-177.7	-61.2	70.7	-150	0	0	112.5	I41	I41-E43 WeakPolarHBondContact CG2-OE2 2.91Å; I41-E43 PolarHBondContact O-N 3.02Å; I41-E43 VanDerWaalsContact O-N 3.14Å
44	I	88.9	Confident	90.6	Very high	38 Å²	38	60.1 Å²	60.1	20%	0.195	29%	0.293	C	S	.	.	S	Bend	trans	-90.9	115	-175.8	-56.8	-176.9	0	0	0	109.7	F39 I41 P42 K66 C67	F39-I44 HydrophobicContact CB-CB 4.3Å; F39-I44 HydrophobicContact CB-CG2 4.26Å; F39-I44 HydrophobicContact CD2-CB 4.37Å; F39-I44 HydrophobicContact CD2-CG2 3.52Å; F39-I44 HydrophobicContact CE2-CG2 3.96Å; F39-I44 HydrophobicContact CG-CB 4.45Å; F39-I44 HydrophobicContact CG-CG2 3.87Å; I41-I44 HydrophobicContact CB-CB 4.4Å; I41-I44 HydrophobicContact CB-CD1 3.85Å; I41-I44 HydrophobicContact CB-CG1 3.95Å; I41-I44 HydrophobicContact CD1-CD1 3.75Å; I41-I44 HydrophobicContact CG1-CD1 4.3Å; I41-I44 HydrophobicContact CG2-CD1 4.01Å; I41-I44 HydrophobicContact CG2-CG1 3.83Å; I41-I44 PolarHBondContact O-N 3.29Å; I41-I44 VanDerWaalsContact O-N 3.1Å; P42-I44 VanDerWaalsContact C-N 3.34Å; I44-K66 HydrophobicContact CG2-CD 3.86Å; I44-K66 HydrophobicContact CG2-CG 3.9Å; I44-C67 HydrophobicContact CD1-CB 4.41Å
45	R	89.7	Confident	91.1	Very high	211 Å²	211	60.9 Å²	60.9	80%	0.796	30%	0.296	S	S	*	.	P	Polyproline II helix	trans	-64.5	148.8	172.7	-63.6	-174.4	-178.4	-177.7	0.8	111.1	F39 K66	F39-R45 WeakPolarHBondContact CD2-O 3.45Å; F39-R45 WeakPolarHBondContact CE2-O 3.46Å; R45-K66 VanDerWaalsContact O-CE 3.27Å; R45-K66 WeakPolarHBondContact O-CE 3.39Å; R45-K66 PolarHBondContact O-NZ 3.07Å
46	H	89.9	Confident	91.3	Very high	66 Å²	66	60.9 Å²	60.9	31%	0.306	30%	0.297	S	S	.	.	P	Polyproline II helix	trans	-60.8	160.2	173.6	61.6	-73.1	0	0	0	111.9	I37 E48 K66	I37-H46 CarbonylContact O-C 3.52Å; I37-H46 WeakPolarHBondContact O-CA 3.4Å; I37-H46 WeakPolarHBondContact O-CB 3.27Å; H46-E48 VanDerWaalsContact CD2-CG 3.46Å; H46-E48 WeakPolarHBondContact CD2-CG 3.36Å; H46-E48 IonicContact CD2-OE1 3.29Å; H46-E48 IonicContact CE1-OE1 3.77Å; H46-E48 WeakPolarHBondContact NE2-CG 3.33Å; H46-E48 IonicContact NE2-OE1 3.53Å; H46-E48 PolarHBondContact NE2-OE1 2.98Å; H46-K66 PolarHBondContact O-NZ 2.91Å
47	L	93.2	Very high	91.4	Very high	28 Å²	28	61 Å²	61	15%	0.147	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	142.5	169	-68.6	168.4	0	0	0	109	E36 I37 F39 Y49 T62 K66	E36-L47 CarbonylContact C-O 3.44Å; E36-L47 VanDerWaalsContact CA-O 3.29Å; E36-L47 WeakPolarHBondContact CA-O 3.19Å; I37-L47 HydrophobicContact CB-CB 4.19Å; I37-L47 PolarHBondContact N-O 3.14Å; I37-L47 PolarHBondContact O-N 3.44Å; F39-L47 HydrophobicContact CE2-CD1 4.36Å; F39-L47 HydrophobicContact CE2-CG 4.01Å; F39-L47 HydrophobicContact CZ-CD1 3.81Å; F39-L47 HydrophobicContact CZ-CG 3.97Å; L47-Y49 HydrophobicContact CB-CE2 3.84Å; L47-T62 HydrophobicContact CD1-CG2 3.96Å; L47-K66 HydrophobicContact CD1-CD 4.48Å; L47-K66 HydrophobicContact CD2-CD 3.86Å; L47-K66 HydrophobicContact CG-CD 4.05Å
48	E	91.9	Very high	91.3	Very high	100 Å²	100	65.6 Å²	65.6	47%	0.467	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	132.8	-179.9	-66.1	-179.8	-179.1	0	0	109.9	L35 E36 H46	L35-E48 WeakPolarHBondContact O-CA 3.4Å; E36-E48 HydrophobicContact CG-CG 4.49Å; H46-E48 VanDerWaalsContact CD2-CG 3.46Å; H46-E48 WeakPolarHBondContact CD2-CG 3.36Å; H46-E48 IonicContact CD2-OE1 3.29Å; H46-E48 IonicContact CE1-OE1 3.77Å; H46-E48 WeakPolarHBondContact NE2-CG 3.33Å; H46-E48 IonicContact NE2-OE1 3.53Å; H46-E48 PolarHBondContact NE2-OE1 2.98Å
49	Y	91.3	Very high	91.3	Very high	32 Å²	32	63.3 Å²	63.3	13%	0.125	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	117.3	175.2	-61.3	-93.8	0	0	0	108.2	G34 L35 I37 L47 Y54 L59 I96	G34-Y49 CarbonylContact C-O 3.49Å; G34-Y49 VanDerWaalsContact CA-O 3.29Å; G34-Y49 WeakPolarHBondContact CA-O 3.38Å; L35-Y49 HydrophobicContact CD2-CD2 3.88Å; L35-Y49 PolarHBondContact N-O 2.92Å; L35-Y49 PolarHBondContact O-N 3.23Å; I37-Y49 HydrophobicContact CD1-CE2 3.87Å; I37-Y49 HydrophobicContact CG1-CE2 4.38Å; L47-Y49 HydrophobicContact CB-CE2 3.84Å; Y49-Y54 HydrophobicContact CD1-CD1 4.44Å; Y49-Y54 HydrophobicContact CD1-CD2 4.35Å; Y49-Y54 HydrophobicContact CD1-CE1 4.03Å; Y49-Y54 AromaticContact CD1-CE2 3.93Å; Y49-Y54 HydrophobicContact CD1-CE2 3.93Å; Y49-Y54 AromaticContact CD1-CZ 3.76Å; Y49-Y54 HydrophobicContact CE1-CD1 4.43Å; Y49-Y54 HydrophobicContact CE1-CE1 4.16Å; Y49-L59 HydrophobicContact CD1-CD2 4.23Å; Y49-L59 HydrophobicContact CD2-CD2 4.01Å; Y49-L59 HydrophobicContact CE1-CD2 3.75Å; Y49-L59 HydrophobicContact CE2-CD2 3.5Å; Y49-L59 HydrophobicContact CG-CD2 4.35Å; Y49-I96 HydrophobicContact CG-CD1 4.4Å
50	I	86.6	Confident	91.3	Very high	104 Å²	104	62.6 Å²	62.6	53%	0.533	31%	0.306	S	S	.	.			trans	-88.1	-39.5	-173	-60.6	167.7	0	0	0	111.3	E98	I50-E98 HydrophobicContact CG2-CG 4.41Å
51	K	87.8	Confident	91.4	Very high	136 Å²	136	63 Å²	63	59%	0.591	31%	0.31	S	S	*	.	S	Bend	trans	-152.3	155.8	179.2	66.2	-178.8	179.8	-174.4	0	112	Y54 I96	K51-Y54 PolarHBondContact O-OH 3.47Å; K51-I96 WeakPolarHBondContact CA-O 3.32Å
52	G	90.1	Very high	91.5	Very high	30 Å²	30	65.1 Å²	65.1	31%	0.309	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	122.5	173.3	175	0	0	0	0	0	112.6	I96	G52-I96 PolarHBondContact N-O 2.66Å; G52-I96 WeakPolarHBondContact O-CB 3.34Å; G52-I96 PolarHBondContact O-N 3.02Å
53	T	91.9	Very high	92.2	Very high	85 Å²	85	60.5 Å²	60.5	52%	0.521	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	125.9	177.4	-47.7	0	0	0	0	108.5	E93 F94	T53-E93 HydrophobicContact CG2-CB 4.38Å; T53-F94 VanDerWaalsContact CA-O 3.3Å; T53-F94 WeakPolarHBondContact CA-O 3.38Å
54	Y	93.3	Very high	92.7	Very high	72 Å²	72	54 Å²	54	28%	0.282	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	141.7	-178.9	-57.5	-90	0	0	0	110.1	Y49 K51 L59 F94 I96	Y49-Y54 HydrophobicContact CD1-CD1 4.44Å; Y49-Y54 HydrophobicContact CD1-CD2 4.35Å; Y49-Y54 HydrophobicContact CD1-CE1 4.03Å; Y49-Y54 AromaticContact CD1-CE2 3.93Å; Y49-Y54 HydrophobicContact CD1-CE2 3.93Å; Y49-Y54 AromaticContact CD1-CZ 3.76Å; Y49-Y54 HydrophobicContact CE1-CD1 4.43Å; Y49-Y54 HydrophobicContact CE1-CE1 4.16Å; K51-Y54 PolarHBondContact O-OH 3.47Å; Y54-L59 HydrophobicContact CD1-CD2 4.41Å; Y54-L59 HydrophobicContact CG-CD2 4.13Å; Y54-F94 PolarHBondContact N-O 3.23Å; Y54-F94 VanDerWaalsContact N-O 3.09Å; Y54-F94 PolarHBondContact O-N 2.96Å; Y54-I96 HydrophobicContact CD2-CD1 3.57Å; Y54-I96 HydrophobicContact CD2-CG1 4.48Å; Y54-I96 HydrophobicContact CE2-CD1 3.89Å
55	T	94.4	Very high	93	Very high	21 Å²	21	56.6 Å²	56.6	13%	0.129	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	152.5	171.2	65.1	0	0	0	0	111.1	E57 E58 L59 H92 E93	T55-E57 PolarHBondContact O-N 2.78Å; T55-E58 PolarHBondContact N-OE2 3.48Å; T55-E58 PolarHBondContact O-N 2.66Å; T55-E58 WeakPolarHBondContact OG1-CG 3.12Å; T55-E58 PolarHBondContact OG1-N 2.69Å; T55-E58 PolarHBondContact OG1-OE2 3.1Å; T55-L59 WeakPolarHBondContact O-CG 3.29Å; T55-L59 PolarHBondContact O-N 3.2Å; T55-L59 VanDerWaalsContact O-N 3.15Å; T55-H92 CarbonylContact C-O 3.46Å; T55-H92 WeakPolarHBondContact CA-O 3.31Å; T55-E93 HydrophobicContact CG2-CG 4.1Å
56	A	96.1	Very high	93.2	Very high	2 Å²	2	50.3 Å²	50.3	2%	0.017	25%	0.252	C	S	.	.	H	α-helix	trans	-57.9	-35.3	174	0	0	0	0	0	111.8	C60 L79 S89 H92 F94	A56-C60 VanDerWaalsContact O-CB 3.32Å; A56-C60 WeakPolarHBondContact O-CB 3.21Å; A56-C60 PolarHBondContact O-N 3.01Å; A56-C60 PolarHBondContact O-SG 3.36Å; A56-C60 VanDerWaalsContact O-SG 3.36Å; A56-L79 HydrophobicContact CB-CD1 4.15Å; A56-S89 WeakPolarHBondContact CB-O 3.35Å; A56-H92 HydrophobicContact CB-CB 4.27Å; A56-H92 PolarHBondContact N-O 3.23Å; A56-F94 HydrophobicContact CB-CE2 3.96Å
57	E	95.3	Very high	93.3	Very high	21 Å²	21	47.3 Å²	47.3	10%	0.098	24%	0.238	C	C	.	.	H	α-helix	trans	-61.9	-49	175.1	-175.8	168.9	-141	0	0	112.3	T55 L59 C60 V61 P90 P440 A441 L442	T55-E57 PolarHBondContact O-N 2.78Å; E57-L59 VanDerWaalsContact C-N 3.34Å; E57-L59 PolarHBondContact O-N 3.28Å; E57-C60 CarbonylContact O-C 3.6Å; E57-C60 WeakPolarHBondContact O-CB 3.39Å; E57-C60 PolarHBondContact O-N 2.67Å; E57-C60 VanDerWaalsContact O-N 3.16Å; E57-V61 WeakPolarHBondContact O-CG2 3.37Å; E57-V61 PolarHBondContact O-N 3.22Å; E57-P90 HydrophobicContact CB-CB 4.28Å; E57-P90 WeakPolarHBondContact CB-O 3.29Å; E57-P90 PolarHBondContact N-O 3.1Å; E57-P440 WeakPolarHBondContact OE1-CB 3.31Å; E57-A441 PolarHBondContact OE2-N 2.87Å; E57-L442 VanDerWaalsContact OE1-CB 3.27Å; E57-L442 WeakPolarHBondContact OE1-CB 3.14Å; E57-L442 PolarHBondContact OE2-N 3.28Å
58	E	93.5	Very high	93.3	Very high	97 Å²	97	51.1 Å²	51.1	45%	0.453	26%	0.263	S	S	.	.	H	α-helix	trans	-59.4	-44	177.6	-75.2	161.6	-178.4	0	0	112.4	T55 C60 V61 T62	T55-E58 PolarHBondContact N-OE2 3.48Å; T55-E58 PolarHBondContact O-N 2.66Å; T55-E58 WeakPolarHBondContact OG1-CG 3.12Å; T55-E58 PolarHBondContact OG1-N 2.69Å; T55-E58 PolarHBondContact OG1-OE2 3.1Å; E58-C60 VanDerWaalsContact C-N 3.35Å; E58-V61 PolarHBondContact O-N 3.48Å; E58-T62 PolarHBondContact O-N 3.14Å; E58-T62 PolarHBondContact O-OG1 3.08Å
59	L	95.6	Very high	93.5	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-63.4	-41.9	176.5	-67.6	-178.2	0	0	0	111.1	L35 I37 Y49 Y54 T55 E57 T62 A63 L79 F94	L35-L59 HydrophobicContact CD1-CD1 4.33Å; L35-L59 HydrophobicContact CD2-CD1 4.21Å; I37-L59 HydrophobicContact CD1-CB 3.76Å; I37-L59 HydrophobicContact CD1-CD1 4.27Å; I37-L59 HydrophobicContact CD1-CD2 4.09Å; I37-L59 HydrophobicContact CD1-CG 4.25Å; Y49-L59 HydrophobicContact CD1-CD2 4.23Å; Y49-L59 HydrophobicContact CD2-CD2 4.01Å; Y49-L59 HydrophobicContact CE1-CD2 3.75Å; Y49-L59 HydrophobicContact CE2-CD2 3.5Å; Y49-L59 HydrophobicContact CG-CD2 4.35Å; Y54-L59 HydrophobicContact CD1-CD2 4.41Å; Y54-L59 HydrophobicContact CG-CD2 4.13Å; T55-L59 WeakPolarHBondContact O-CG 3.29Å; T55-L59 PolarHBondContact O-N 3.2Å; T55-L59 VanDerWaalsContact O-N 3.15Å; E57-L59 VanDerWaalsContact C-N 3.34Å; E57-L59 PolarHBondContact O-N 3.28Å; L59-T62 PolarHBondContact O-N 2.88Å; L59-A63 VanDerWaalsContact O-CB 3.3Å; L59-A63 WeakPolarHBondContact O-CB 3.49Å; L59-A63 PolarHBondContact O-N 3.15Å; L59-L79 HydrophobicContact CB-CD1 3.9Å; L59-L79 HydrophobicContact CD1-CD1 4.04Å; L59-F94 HydrophobicContact CD1-CD2 3.66Å; L59-F94 HydrophobicContact CD1-CE2 4.01Å; L59-F94 HydrophobicContact CD1-CG 4.46Å
60	C	96.8	Very high	93.7	Very high	7 Å²	7	46.3 Å²	46.3	5%	0.047	24%	0.244	C	C	.	.	H	α-helix	trans	-64.4	-39.8	174.2	-83.3	0	0	0	0	112.8	A56 E57 E58 A63 A64 Y106	A56-C60 VanDerWaalsContact O-CB 3.32Å; A56-C60 WeakPolarHBondContact O-CB 3.21Å; A56-C60 PolarHBondContact O-N 3.01Å; A56-C60 PolarHBondContact O-SG 3.36Å; A56-C60 VanDerWaalsContact O-SG 3.36Å; E57-C60 CarbonylContact O-C 3.6Å; E57-C60 WeakPolarHBondContact O-CB 3.39Å; E57-C60 PolarHBondContact O-N 2.67Å; E57-C60 VanDerWaalsContact O-N 3.16Å; E58-C60 VanDerWaalsContact C-N 3.35Å; C60-A63 PolarHBondContact O-N 3.16Å; C60-A64 VanDerWaalsContact O-CB 3.27Å; C60-A64 WeakPolarHBondContact O-CB 3.5Å; C60-A64 PolarHBondContact O-N 3.16Å; C60-Y106 HydrophobicContact CB-CE2 4.13Å
61	V	94.6	Very high	94	Very high	28 Å²	28	42 Å²	42	17%	0.17	22%	0.224	C	C	.	.	H	α-helix	trans	-63.7	-43.4	176.1	168.6	0	0	0	0	110.5	E57 E58 A64 K65 Y483	E57-V61 WeakPolarHBondContact O-CG2 3.37Å; E57-V61 PolarHBondContact O-N 3.22Å; E58-V61 PolarHBondContact O-N 3.48Å; V61-A64 PolarHBondContact O-N 3.47Å; V61-K65 HydrophobicContact CG1-CD 4.37Å; V61-K65 WeakPolarHBondContact O-CG 3.19Å; V61-K65 PolarHBondContact O-N 2.88Å; V61-Y483 HydrophobicContact CG1-CD1 3.69Å; V61-Y483 HydrophobicContact CG1-CE1 4.22Å; V61-Y483 HydrophobicContact CG1-CG 4.03Å; V61-Y483 HydrophobicContact CG2-CD1 4.32Å; V61-Y483 HydrophobicContact CG2-CE1 4.4Å
62	T	94.8	Very high	94.2	Very high	57 Å²	57	36.9 Å²	36.9	35%	0.35	20%	0.202	S	C	.	.	H	α-helix	trans	-64.9	-41.5	177.3	-54.9	0	0	0	0	111.6	L47 E58 L59 K66	L47-T62 HydrophobicContact CD1-CG2 3.96Å; E58-T62 PolarHBondContact O-N 3.14Å; E58-T62 PolarHBondContact O-OG1 3.08Å; L59-T62 PolarHBondContact O-N 2.88Å; T62-K66 PolarHBondContact O-N 2.69Å
63	A	96.1	Very high	94.5	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-61	-46.2	172.6	0	0	0	0	0	112.1	F39 L59 C60 K65 K66 C67 Y106	F39-A63 HydrophobicContact CE1-CB 3.75Å; F39-A63 HydrophobicContact CZ-CB 4.09Å; L59-A63 VanDerWaalsContact O-CB 3.3Å; L59-A63 WeakPolarHBondContact O-CB 3.49Å; L59-A63 PolarHBondContact O-N 3.15Å; C60-A63 PolarHBondContact O-N 3.16Å; A63-K65 PolarHBondContact O-N 3.22Å; A63-K66 PolarHBondContact O-N 3.32Å; A63-K66 VanDerWaalsContact O-N 3.17Å; A63-C67 PolarHBondContact O-N 2.9Å; A63-C67 PolarHBondContact O-SG 2.98Å; A63-Y106 HydrophobicContact CB-CD1 4Å; A63-Y106 HydrophobicContact CB-CD2 3.52Å; A63-Y106 HydrophobicContact CB-CE1 4.28Å; A63-Y106 HydrophobicContact CB-CE2 3.81Å; A63-Y106 HydrophobicContact CB-CG 3.62Å
64	A	95.6	Very high	94.6	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-61	-43.8	179.2	0	0	0	0	0	112.1	C60 V61 K66 C67 T68 I69 Y106 Y483	C60-A64 VanDerWaalsContact O-CB 3.27Å; C60-A64 WeakPolarHBondContact O-CB 3.5Å; C60-A64 PolarHBondContact O-N 3.16Å; V61-A64 PolarHBondContact O-N 3.47Å; A64-K66 VanDerWaalsContact C-N 3.33Å; A64-K66 PolarHBondContact O-N 2.84Å; A64-C67 CarbonylContact O-C 3.47Å; A64-C67 PolarHBondContact O-N 2.89Å; A64-T68 PolarHBondContact O-N 3.2Å; A64-I69 HydrophobicContact CB-CB 4.1Å; A64-I69 HydrophobicContact CB-CG2 4.36Å; A64-I69 PolarHBondContact O-N 3.32Å; A64-Y106 WeakPolarHBondContact CB-OH 3.28Å; A64-Y483 VanDerWaalsContact CB-OH 3.29Å; A64-Y483 WeakPolarHBondContact CB-OH 3.16Å
65	K	93.9	Very high	94.6	Very high	92 Å²	92	31.1 Å²	31.1	40%	0.4	17%	0.165	S	C	.	.	H	α-helix	trans	-56.6	-45.8	173.5	-74.1	172.2	176.2	177.9	0	111.6	V61 A63 C67 T68 Y483 N484	V61-K65 HydrophobicContact CG1-CD 4.37Å; V61-K65 WeakPolarHBondContact O-CG 3.19Å; V61-K65 PolarHBondContact O-N 2.88Å; A63-K65 PolarHBondContact O-N 3.22Å; K65-C67 VanDerWaalsContact C-N 3.29Å; K65-C67 PolarHBondContact O-N 2.88Å; K65-T68 PolarHBondContact O-N 2.94Å; K65-Y483 HydrophobicContact CD-CD2 4.46Å; K65-Y483 HydrophobicContact CG-CD2 3.7Å; K65-Y483 HydrophobicContact CG-CE2 4.07Å; K65-Y483 HydrophobicContact CG-CG 4.35Å; K65-N484 PolarHBondContact NZ-OD1 2.68Å
66	K	94.1	Very high	94.7	Very high	79 Å²	79	30.1 Å²	30.1	34%	0.343	16%	0.159	S	C	.	.	H	α-helix	trans	-65.9	-31.7	179.4	-164.9	173.7	-168.2	175.3	0	112.9	F39 I44 R45 H46 L47 T62 A63 A64	F39-K66 HydrophobicContact CE2-CD 3.88Å; F39-K66 HydrophobicContact CZ-CD 4.03Å; I44-K66 HydrophobicContact CG2-CD 3.86Å; I44-K66 HydrophobicContact CG2-CG 3.9Å; R45-K66 VanDerWaalsContact O-CE 3.27Å; R45-K66 WeakPolarHBondContact O-CE 3.39Å; R45-K66 PolarHBondContact O-NZ 3.07Å; H46-K66 PolarHBondContact O-NZ 2.91Å; L47-K66 HydrophobicContact CD1-CD 4.48Å; L47-K66 HydrophobicContact CD2-CD 3.86Å; L47-K66 HydrophobicContact CG-CD 4.05Å; T62-K66 PolarHBondContact O-N 2.69Å; A63-K66 PolarHBondContact O-N 3.32Å; A63-K66 VanDerWaalsContact O-N 3.17Å; A64-K66 VanDerWaalsContact C-N 3.33Å; A64-K66 PolarHBondContact O-N 2.84Å
67	C	93.4	Very high	94.8	Very high	3 Å²	3	30.5 Å²	30.5	2%	0.02	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93	9.3	177.9	-62.6	0	0	0	0	113.9	F39 I44 A63 A64 K65 I69 Y155	F39-C67 WeakPolarHBondContact CD1-SG 3.28Å; I44-C67 HydrophobicContact CD1-CB 4.41Å; A63-C67 PolarHBondContact O-N 2.9Å; A63-C67 PolarHBondContact O-SG 2.98Å; A64-C67 CarbonylContact O-C 3.47Å; A64-C67 PolarHBondContact O-N 2.89Å; K65-C67 VanDerWaalsContact C-N 3.29Å; K65-C67 PolarHBondContact O-N 2.88Å; C67-I69 HydrophobicContact CB-CD1 3.74Å; C67-I69 HydrophobicContact CB-CG1 4.1Å; C67-I69 PolarHBondContact O-N 3.18Å; C67-Y155 HydrophobicContact CB-CD2 4.06Å; C67-Y155 HydrophobicContact CB-CE2 4.37Å; C67-Y155 VanDerWaalsContact SG-CE2 3.55Å
68	T	92.9	Very high	94.9	Very high	107 Å²	107	29.9 Å²	29.9	66%	0.656	16%	0.159	S	C	*	.	T	Hydrogen-bonded Turn	trans	56	30	-178.7	64.2	0	0	0	0	114.5	A64 K65	A64-T68 PolarHBondContact O-N 3.2Å; K65-T68 PolarHBondContact O-N 2.94Å
69	I	95.9	Very high	95.2	Very high	4 Å²	4	25.3 Å²	25.3	2%	0.021	14%	0.138	C	C	.	.			trans	-85	128.4	177.8	-68	160.8	0	0	0	109.1	A64 C67 C73 F77 Y106 Y483	A64-I69 HydrophobicContact CB-CB 4.1Å; A64-I69 HydrophobicContact CB-CG2 4.36Å; A64-I69 PolarHBondContact O-N 3.32Å; C67-I69 HydrophobicContact CB-CD1 3.74Å; C67-I69 HydrophobicContact CB-CG1 4.1Å; C67-I69 PolarHBondContact O-N 3.18Å; I69-C73 HydrophobicContact CG2-CB 3.98Å; I69-F77 HydrophobicContact CD1-CD1 4.3Å; I69-F77 HydrophobicContact CD1-CD2 4.25Å; I69-F77 HydrophobicContact CD1-CE1 3.82Å; I69-F77 HydrophobicContact CD1-CE2 3.76Å; I69-F77 HydrophobicContact CD1-CZ 3.53Å; I69-F77 HydrophobicContact CG1-CE2 4.32Å; I69-F77 HydrophobicContact CG1-CZ 4.27Å; I69-F77 HydrophobicContact CG2-CD2 4.28Å; I69-F77 HydrophobicContact CG2-CE2 3.91Å; I69-Y106 HydrophobicContact CD1-CE1 3.58Å; I69-Y483 WeakPolarHBondContact O-CE2 3.39Å; I69-Y483 PolarHBondContact O-OH 3.17Å
70	S	94.6	Very high	95.2	Very high	27 Å²	27	27.2 Å²	27.2	19%	0.189	15%	0.145	C	C	.	.			trans	-68.4	155.2	-179.5	65.6	0	0	0	0	112.9	L72 C73 H74 D149 Y483	S70-L72 PolarHBondContact O-N 3.14Å; S70-L72 VanDerWaalsContact O-N 3.08Å; S70-C73 PolarHBondContact O-N 3.39Å; S70-H74 PolarHBondContact O-N 3.21Å; S70-D149 WeakPolarHBondContact CB-OD2 3.37Å; S70-D149 PolarHBondContact N-OD2 3.43Å; S70-D149 PolarHBondContact OG-OD2 2.81Å; S70-Y483 VanDerWaalsContact C-OH 3.23Å; S70-Y483 PolarHBondContact O-OH 2.65Å
71	P	94.3	Very high	95.1	Very high	15 Å²	15	27.9 Å²	27.9	10%	0.097	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.7	-30.2	171.3	-28.6	34.6	0	0	0	114.1	P454 S479 C480 Y483	P71-P454 HydrophobicContact CB-CB 4.16Å; P71-P454 HydrophobicContact CB-CG 4.27Å; P71-S479 WeakPolarHBondContact CB-O 3.39Å; P71-C480 WeakPolarHBondContact CD-O 3.17Å; P71-Y483 HydrophobicContact CB-CD1 4.41Å; P71-Y483 HydrophobicContact CB-CE1 4.16Å; P71-Y483 HydrophobicContact CG-CD1 4.12Å; P71-Y483 HydrophobicContact CG-CD2 3.98Å; P71-Y483 HydrophobicContact CG-CE1 4.08Å; P71-Y483 HydrophobicContact CG-CE2 3.92Å; P71-Y483 HydrophobicContact CG-CG 4.07Å
72	L	91.9	Very high	94.7	Very high	27 Å²	27	29.5 Å²	29.5	14%	0.141	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-34.7	177.8	-178.4	60.8	0	0	0	113.1	S70 N75 R127 N561 L562	S70-L72 PolarHBondContact O-N 3.14Å; S70-L72 VanDerWaalsContact O-N 3.08Å; L72-N75 PolarHBondContact O-OD1 3.25Å; L72-R127 PolarHBondContact O-NH2 3.42Å; L72-R127 VanDerWaalsContact O-NH2 3.08Å; L72-N561 WeakPolarHBondContact CD1-ND2 3.41Å; L72-L562 HydrophobicContact CD1-CD2 3.55Å
73	C	95.1	Very high	94.3	Very high	2 Å²	2	31.4 Å²	31.4	1%	0.014	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.4	-11.2	-177.7	-64.8	0	0	0	0	113.5	I69 S70 N75 L76 F77 S152	I69-C73 HydrophobicContact CG2-CB 3.98Å; S70-C73 PolarHBondContact O-N 3.39Å; C73-N75 VanDerWaalsContact C-N 3.26Å; C73-N75 PolarHBondContact O-N 3.35Å; C73-L76 HydrophobicContact CB-CD1 4.31Å; C73-L76 VanDerWaalsContact O-CB 3.3Å; C73-L76 WeakPolarHBondContact O-CB 3.26Å; C73-L76 WeakPolarHBondContact O-CG 3.32Å; C73-L76 PolarHBondContact O-N 3.06Å; C73-F77 WeakPolarHBondContact O-CD2 3.2Å; C73-S152 WeakPolarHBondContact CB-OG 3.43Å
74	H	94.1	Very high	93.8	Very high	26 Å²	26	35.4 Å²	35.4	12%	0.12	20%	0.202	C	C	.	.	G	3₁₀ helix	trans	-48.5	-44.8	179.5	160.6	64	0	0	0	113.6	S70 L76 F77 Y483	S70-H74 PolarHBondContact O-N 3.21Å; H74-L76 PolarHBondContact O-N 3.02Å; H74-L76 VanDerWaalsContact O-N 3.07Å; H74-F77 PolarHBondContact O-N 3.06Å; H74-Y483 HydrophobicContact CB-CE1 4.02Å; H74-Y483 WeakPolarHBondContact CB-OH 3.32Å
75	N	94.3	Very high	93.5	Very high	38 Å²	38	37.3 Å²	37.3	20%	0.203	22%	0.222	C	C	.	.	G	3₁₀ helix	trans	-71.1	-1.2	-176.5	68.6	-10.7	0	0	0	114.2	L72 C73 F77 F110 L426	L72-N75 PolarHBondContact O-OD1 3.25Å; C73-N75 VanDerWaalsContact C-N 3.26Å; C73-N75 PolarHBondContact O-N 3.35Å; N75-F77 VanDerWaalsContact C-N 3.32Å; N75-F110 WeakPolarHBondContact O-CD2 3.49Å; N75-F110 WeakPolarHBondContact O-CE2 3.43Å; N75-L426 WeakPolarHBondContact ND2-CD2 3.44Å
76	L	97.1	Very high	93.4	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	-81.6	-13.1	169.4	-58.1	176.7	0	0	0	112.5	C73 H74 M108 R109 F110 L148 L426	C73-L76 HydrophobicContact CB-CD1 4.31Å; C73-L76 VanDerWaalsContact O-CB 3.3Å; C73-L76 WeakPolarHBondContact O-CB 3.26Å; C73-L76 WeakPolarHBondContact O-CG 3.32Å; C73-L76 PolarHBondContact O-N 3.06Å; H74-L76 PolarHBondContact O-N 3.02Å; H74-L76 VanDerWaalsContact O-N 3.07Å; L76-M108 HydrophobicContact CB-CE 4.46Å; L76-M108 HydrophobicContact CB-CG 4.43Å; L76-M108 HydrophobicContact CD1-CE 4.5Å; L76-R109 PolarHBondContact O-N 3.35Å; L76-F110 HydrophobicContact CD2-CB 4.16Å; L76-F110 PolarHBondContact O-N 2.96Å; L76-F110 VanDerWaalsContact O-N 3.15Å; L76-L148 HydrophobicContact CD1-CD2 3.47Å; L76-L148 VanDerWaalsContact CD1-CD2 3.47Å; L76-L426 HydrophobicContact CD2-CD1 3.78Å; L76-L426 HydrophobicContact CD2-CD2 3.8Å; L76-L426 HydrophobicContact CD2-CG 4.48Å
77	F	97.8	Very high	93.5	Very high	10 Å²	10	31.5 Å²	31.5	4%	0.044	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	153.8	-173.2	-63.5	-99	0	0	0	112.8	I69 C73 H74 N75 Y106 R107 M108 Y155	I69-F77 HydrophobicContact CD1-CD1 4.3Å; I69-F77 HydrophobicContact CD1-CD2 4.25Å; I69-F77 HydrophobicContact CD1-CE1 3.82Å; I69-F77 HydrophobicContact CD1-CE2 3.76Å; I69-F77 HydrophobicContact CD1-CZ 3.53Å; I69-F77 HydrophobicContact CG1-CE2 4.32Å; I69-F77 HydrophobicContact CG1-CZ 4.27Å; I69-F77 HydrophobicContact CG2-CD2 4.28Å; I69-F77 HydrophobicContact CG2-CE2 3.91Å; C73-F77 WeakPolarHBondContact O-CD2 3.2Å; H74-F77 PolarHBondContact O-N 3.06Å; N75-F77 VanDerWaalsContact C-N 3.32Å; F77-Y106 HydrophobicContact CB-CD2 4.38Å; F77-Y106 HydrophobicContact CB-CE1 4.25Å; F77-Y106 HydrophobicContact CB-CE2 3.5Å; F77-Y106 VanDerWaalsContact CB-CZ 3.42Å; F77-Y106 VanDerWaalsContact CB-OH 3.24Å; F77-Y106 WeakPolarHBondContact CB-OH 3.21Å; F77-Y106 HydrophobicContact CD1-CD1 4.27Å; F77-Y106 AromaticContact CD1-CE1 3.6Å; F77-Y106 HydrophobicContact CD1-CE1 3.6Å; F77-Y106 HydrophobicContact CD1-CE2 4.35Å; F77-Y106 AromaticContact CD1-CZ 3.66Å; F77-Y106 HydrophobicContact CE1-CE1 4.14Å; F77-Y106 AromaticContact CG-CE1 3.99Å; F77-Y106 HydrophobicContact CG-CE1 3.99Å; F77-Y106 HydrophobicContact CG-CE2 4.16Å; F77-Y106 AromaticContact CG-CZ 3.55Å; F77-Y106 VanDerWaalsContact CG-OH 3.22Å; F77-Y106 WeakPolarHBondContact CG-OH 3.3Å; F77-R107 CarbonylContact C-O 3.57Å; F77-R107 VanDerWaalsContact CA-O 3.32Å; F77-R107 WeakPolarHBondContact CA-O 3.48Å; F77-M108 HydrophobicContact CD1-CB 3.98Å; F77-M108 HydrophobicContact CE1-CB 3.78Å; F77-M108 HydrophobicContact CE1-CE 4.05Å; F77-M108 HydrophobicContact CE2-CE 3.78Å; F77-M108 HydrophobicContact CZ-CB 4.29Å; F77-M108 HydrophobicContact CZ-CE 3.39Å; F77-Y155 HydrophobicContact CD1-CD1 4.32Å; F77-Y155 HydrophobicContact CD1-CE1 4.43Å; F77-Y155 AromaticContact CE1-CD1 3.52Å; F77-Y155 HydrophobicContact CE1-CD1 3.52Å; F77-Y155 HydrophobicContact CE1-CE1 4.06Å; F77-Y155 AromaticContact CE1-CG 3.97Å; F77-Y155 HydrophobicContact CE1-CG 3.97Å; F77-Y155 HydrophobicContact CZ-CD1 4.43Å
78	A	97.6	Very high	93.6	Very high	9 Å²	9	33.4 Å²	33.4	7%	0.074	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	174.4	175.2	0	0	0	0	0	111	W87 R107 R109	A78-W87 HydrophobicContact CB-CE3 3.73Å; A78-W87 HydrophobicContact CB-CZ3 3.85Å; A78-R107 PolarHBondContact N-O 3.14Å; A78-R107 PolarHBondContact O-N 3.41Å; A78-R107 VanDerWaalsContact O-O 3.13Å; A78-R109 HydrophobicContact CB-CB 4.11Å
79	L	97.8	Very high	93.7	Very high	1 Å²	1	28.5 Å²	28.5	1%	0.005	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	132.9	174.8	-61.5	176.9	0	0	0	111	I37 A56 L59 Y88 F94 L104 Y106	I37-L79 HydrophobicContact CD1-CD2 4.37Å; I37-L79 HydrophobicContact CG2-CD2 4.13Å; A56-L79 HydrophobicContact CB-CD1 4.15Å; L59-L79 HydrophobicContact CB-CD1 3.9Å; L59-L79 HydrophobicContact CD1-CD1 4.04Å; L79-Y88 HydrophobicContact CB-CD2 4.46Å; L79-Y88 PolarHBondContact O-N 3.05Å; L79-Y88 VanDerWaalsContact O-N 3.08Å; L79-F94 HydrophobicContact CD1-CE2 3.98Å; L79-F94 HydrophobicContact CD1-CZ 4.41Å; L79-L104 HydrophobicContact CB-CD1 4.35Å; L79-L104 HydrophobicContact CD1-CD1 3.91Å; L79-Y106 HydrophobicContact CD2-CD2 4.31Å
80	Y	96.3	Very high	93.7	Very high	40 Å²	40	29.9 Å²	29.9	16%	0.157	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	134.5	-179	-176.5	-111.8	0	0	0	111.2	D82 G85 W87 L104 H105	Y80-D82 WeakPolarHBondContact CD1-OD1 3.43Å; Y80-D82 WeakPolarHBondContact CE1-OD1 3.36Å; Y80-G85 WeakPolarHBondContact OH-CA 3Å; Y80-W87 AromaticContact CD2-CD1 3.8Å; Y80-W87 AromaticContact CD2-CD2 3.54Å; Y80-W87 HydrophobicContact CD2-CD2 3.54Å; Y80-W87 AromaticContact CD2-CE2 3.5Å; Y80-W87 VanDerWaalsContact CD2-CE2 3.5Å; Y80-W87 HydrophobicContact CD2-CE3 4.13Å; Y80-W87 AromaticContact CD2-CG 3.76Å; Y80-W87 HydrophobicContact CD2-CG 3.76Å; Y80-W87 HydrophobicContact CD2-CZ2 4.11Å; Y80-W87 AromaticContact CD2-NE1 3.62Å; Y80-W87 AromaticContact CE2-CD1 4Å; Y80-W87 HydrophobicContact CE2-CD2 4.41Å; Y80-W87 HydrophobicContact CE2-CG 4.4Å; Y80-W87 AromaticContact CE2-NE1 3.75Å; Y80-W87 HydrophobicContact CG-CD2 4.22Å; Y80-W87 HydrophobicContact CG-CE3 4.38Å; Y80-W87 HydrophobicContact CG-CZ2 4.43Å; Y80-L104 CarbonylContact O-C 3.59Å; Y80-L104 WeakPolarHBondContact O-CA 3.3Å; Y80-H105 PolarHBondContact N-O 3.26Å; Y80-H105 PolarHBondContact O-N 3.2Å
81	N	94.1	Very high	93.6	Very high	21 Å²	21	30.2 Å²	30.2	11%	0.112	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	113.5	172.8	-178.5	-20.1	0	0	0	110.3	A83 T84 G85 T86 Y88 L104	N81-A83 VanDerWaalsContact C-N 3.3Å; N81-A83 PolarHBondContact O-N 2.75Å; N81-A83 WeakPolarHBondContact OD1-CB 3.42Å; N81-A83 PolarHBondContact OD1-N 2.89Å; N81-T84 WeakPolarHBondContact CB-OG1 3.5Å; N81-T84 PolarHBondContact ND2-OG1 2.98Å; N81-T84 PolarHBondContact OD1-N 3Å; N81-G85 WeakPolarHBondContact O-CA 3.38Å; N81-G85 PolarHBondContact O-N 3.06Å; N81-T86 PolarHBondContact N-O 3.04Å; N81-T86 PolarHBondContact O-N 3.33Å; N81-Y88 HydrophobicContact CB-CE2 3.87Å; N81-L104 HydrophobicContact CB-CD2 3.9Å
82	D	86.1	Confident	93.7	Very high	61 Å²	61	32.3 Å²	32.3	33%	0.326	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-28.4	-178.4	-94.3	10.8	0	0	0	113.5	Y80 H105 K168	Y80-D82 WeakPolarHBondContact CD1-OD1 3.43Å; Y80-D82 WeakPolarHBondContact CE1-OD1 3.36Å; D82-H105 VanDerWaalsContact CG-CE1 3.43Å; D82-H105 VanDerWaalsContact CG-ND1 3.27Å; D82-H105 IonicContact OD1-ND1 2.88Å; D82-H105 IonicContact OD2-CE1 3.4Å; D82-H105 PolarHBondContact OD2-CE1 3.45Å; D82-H105 IonicContact OD2-ND1 3.2Å; D82-H105 PolarHBondContact OD2-ND1 3.1Å; D82-H105 IonicContact OD2-NE2 3.39Å; D82-K168 IonicContact OD1-NZ 3.56Å; D82-K168 PolarHBondContact OD1-NZ 3.24Å; D82-K168 IonicContact OD2-NZ 3.82Å; D82-K168 PolarHBondContact OD2-NZ 2.88Å
83	A	87.3	Confident	93.7	Very high	97 Å²	97	37.3 Å²	37.3	80%	0.802	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.6	-36.2	-177.8	0	0	0	0	0	112.1	N81	N81-A83 VanDerWaalsContact C-N 3.3Å; N81-A83 PolarHBondContact O-N 2.75Å; N81-A83 WeakPolarHBondContact OD1-CB 3.42Å; N81-A83 PolarHBondContact OD1-N 2.89Å
84	T	86.6	Confident	93.6	Very high	84 Å²	84	37.5 Å²	37.5	52%	0.515	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.8	-19.2	-178.6	57	0	0	0	0	113.2	N81 T86	N81-T84 WeakPolarHBondContact CB-OG1 3.5Å; N81-T84 PolarHBondContact ND2-OG1 2.98Å; N81-T84 PolarHBondContact OD1-N 3Å; T84-T86 VanDerWaalsContact C-N 3.3Å; T84-T86 PolarHBondContact OG1-OG1 3.4Å
85	G	87.7	Confident	93.4	Very high	40 Å²	40	40.8 Å²	40.8	41%	0.412	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	73.5	19.9	-174.3	0	0	0	0	0	114.1	Y80 N81	Y80-G85 WeakPolarHBondContact OH-CA 3Å; N81-G85 WeakPolarHBondContact O-CA 3.38Å; N81-G85 PolarHBondContact O-N 3.06Å
86	T	91.4	Very high	93.2	Very high	26 Å²	26	39.2 Å²	39.2	16%	0.16	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	139.7	-173	57.7	0	0	0	0	112.2	N81 T84	N81-T86 PolarHBondContact N-O 3.04Å; N81-T86 PolarHBondContact O-N 3.33Å; T84-T86 VanDerWaalsContact C-N 3.3Å; T84-T86 PolarHBondContact OG1-OG1 3.4Å
87	W	96.4	Very high	92.6	Very high	23 Å²	23	44.8 Å²	44.8	9%	0.087	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	149.3	168.2	-63	92.1	0	0	0	111.1	A78 Y80 R107 R109 S415	A78-W87 HydrophobicContact CB-CE3 3.73Å; A78-W87 HydrophobicContact CB-CZ3 3.85Å; Y80-W87 AromaticContact CD2-CD1 3.8Å; Y80-W87 AromaticContact CD2-CD2 3.54Å; Y80-W87 HydrophobicContact CD2-CD2 3.54Å; Y80-W87 AromaticContact CD2-CE2 3.5Å; Y80-W87 VanDerWaalsContact CD2-CE2 3.5Å; Y80-W87 HydrophobicContact CD2-CE3 4.13Å; Y80-W87 AromaticContact CD2-CG 3.76Å; Y80-W87 HydrophobicContact CD2-CG 3.76Å; Y80-W87 HydrophobicContact CD2-CZ2 4.11Å; Y80-W87 AromaticContact CD2-NE1 3.62Å; Y80-W87 AromaticContact CE2-CD1 4Å; Y80-W87 HydrophobicContact CE2-CD2 4.41Å; Y80-W87 HydrophobicContact CE2-CG 4.4Å; Y80-W87 AromaticContact CE2-NE1 3.75Å; Y80-W87 HydrophobicContact CG-CD2 4.22Å; Y80-W87 HydrophobicContact CG-CE3 4.38Å; Y80-W87 HydrophobicContact CG-CZ2 4.43Å; W87-R107 HydrophobicContact CH2-CB 3.65Å; W87-R107 HydrophobicContact CH2-CG 3.54Å; W87-R107 HydrophobicContact CZ2-CG 4.37Å; W87-R107 HydrophobicContact CZ3-CB 3.74Å; W87-R107 HydrophobicContact CZ3-CG 4.18Å; W87-R109 HydrophobicContact CD2-CG 3.96Å; W87-R109 HydrophobicContact CE3-CB 4.14Å; W87-R109 HydrophobicContact CE3-CG 3.95Å; W87-R109 VanDerWaalsContact CG-CZ 3.47Å; W87-R109 HydrophobicContact CH2-CB 3.57Å; W87-R109 HydrophobicContact CH2-CG 3.75Å; W87-R109 HydrophobicContact CZ2-CB 4.15Å; W87-R109 HydrophobicContact CZ2-CG 3.83Å; W87-R109 HydrophobicContact CZ3-CB 3.6Å; W87-R109 HydrophobicContact CZ3-CG 3.85Å; W87-S415 WeakPolarHBondContact O-CB 3.28Å
88	Y	96.5	Very high	91.6	Very high	43 Å²	43	50.4 Å²	50.4	17%	0.169	28%	0.279	C	S	.	.	P	Polyproline II helix	trans	-97.9	142.8	175.8	-68.2	-87.3	0	0	0	111.7	L79 N81 H92 F94 L104	L79-Y88 HydrophobicContact CB-CD2 4.46Å; L79-Y88 PolarHBondContact O-N 3.05Å; L79-Y88 VanDerWaalsContact O-N 3.08Å; N81-Y88 HydrophobicContact CB-CE2 3.87Å; Y88-H92 HydrophobicContact CD1-CB 4.26Å; Y88-H92 AromaticContact CD1-CD2 3.37Å; Y88-H92 WeakPolarHBondContact CD1-CD2 3.43Å; Y88-H92 AromaticContact CD1-CE1 3.89Å; Y88-H92 AromaticContact CD1-CG 3.6Å; Y88-H92 AromaticContact CD1-ND1 3.91Å; Y88-H92 AromaticContact CD1-NE2 3.53Å; Y88-H92 AromaticContact CE1-CD2 3.82Å; Y88-H92 AromaticContact CE1-CE1 3.93Å; Y88-H92 AromaticContact CE1-NE2 3.49Å; Y88-H92 WeakPolarHBondContact CE1-NE2 3.43Å; Y88-F94 HydrophobicContact CD1-CE1 4.03Å; Y88-F94 AromaticContact CD1-CZ 3.73Å; Y88-F94 HydrophobicContact CD1-CZ 3.73Å; Y88-F94 HydrophobicContact CD2-CE1 4.49Å; Y88-F94 AromaticContact CD2-CZ 3.93Å; Y88-F94 HydrophobicContact CD2-CZ 3.93Å; Y88-F94 AromaticContact CE1-CE1 3.8Å; Y88-F94 HydrophobicContact CE1-CE1 3.8Å; Y88-F94 AromaticContact CE1-CZ 3.97Å; Y88-F94 HydrophobicContact CE1-CZ 3.97Å; Y88-F94 HydrophobicContact CE2-CE1 4.29Å; Y88-F94 HydrophobicContact CE2-CZ 4.18Å; Y88-F94 HydrophobicContact CG-CE1 4.36Å; Y88-F94 AromaticContact CG-CZ 3.69Å; Y88-F94 HydrophobicContact CG-CZ 3.69Å; Y88-F94 AromaticContact CZ-CE1 3.94Å; Y88-L104 HydrophobicContact CD2-CD2 4.12Å; Y88-L104 HydrophobicContact CE2-CD2 3.49Å; Y88-L104 VanDerWaalsContact CE2-CD2 3.49Å
89	S	95.4	Very high	90.6	Very high	4 Å²	4	55.7 Å²	55.7	3%	0.028	31%	0.306	C	S	.	.	P	Polyproline II helix	trans	-67.8	149.4	170.1	59.5	0	0	0	0	110.1	A56 S91 H92	A56-S89 WeakPolarHBondContact CB-O 3.35Å; S89-S91 PolarHBondContact O-N 3.26Å; S89-S91 PolarHBondContact OG-OG 3.1Å; S89-S91 VanDerWaalsContact OG-OG 3.13Å; S89-H92 VanDerWaalsContact O-CB 3.24Å; S89-H92 WeakPolarHBondContact O-CB 3.12Å; S89-H92 PolarHBondContact O-N 2.9Å; S89-H92 PolarHBondContact OG-N 3.19Å
90	P	94.9	Very high	89.6	Confident	33 Å²	33	56.6 Å²	56.6	21%	0.214	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.7	-34.4	175.3	-28.6	36.2	0	0	0	113.8	E57 H92 P440	E57-P90 HydrophobicContact CB-CB 4.28Å; E57-P90 WeakPolarHBondContact CB-O 3.29Å; E57-P90 PolarHBondContact N-O 3.1Å; P90-H92 VanDerWaalsContact C-N 3.29Å; P90-H92 PolarHBondContact O-N 3.41Å; P90-P440 HydrophobicContact CB-CB 3.87Å; P90-P440 HydrophobicContact CB-CG 4.03Å; P90-P440 HydrophobicContact CG-CG 4.13Å
91	S	93.7	Very high	89.1	Confident	34 Å²	34	58 Å²	58	24%	0.238	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-5.4	176.3	56.5	0	0	0	0	115.1	S89 E93 E437 V438 A439	S89-S91 PolarHBondContact O-N 3.26Å; S89-S91 PolarHBondContact OG-OG 3.1Å; S89-S91 VanDerWaalsContact OG-OG 3.13Å; S91-E93 PolarHBondContact O-N 3.47Å; S91-E437 PolarHBondContact OG-O 3.26Å; S91-V438 WeakPolarHBondContact OG-CA 3.46Å; S91-A439 WeakPolarHBondContact CB-O 3.46Å
92	H	94.9	Very high	88.8	Confident	59 Å²	59	59.1 Å²	59.1	27%	0.273	35%	0.345	S	S	.	.			trans	-67.1	125.6	-176.6	-174.1	81.8	0	0	0	110.8	T55 A56 Y88 S89 P90 F94	T55-H92 CarbonylContact C-O 3.46Å; T55-H92 WeakPolarHBondContact CA-O 3.31Å; A56-H92 HydrophobicContact CB-CB 4.27Å; A56-H92 PolarHBondContact N-O 3.23Å; Y88-H92 HydrophobicContact CD1-CB 4.26Å; Y88-H92 AromaticContact CD1-CD2 3.37Å; Y88-H92 WeakPolarHBondContact CD1-CD2 3.43Å; Y88-H92 AromaticContact CD1-CE1 3.89Å; Y88-H92 AromaticContact CD1-CG 3.6Å; Y88-H92 AromaticContact CD1-ND1 3.91Å; Y88-H92 AromaticContact CD1-NE2 3.53Å; Y88-H92 AromaticContact CE1-CD2 3.82Å; Y88-H92 AromaticContact CE1-CE1 3.93Å; Y88-H92 AromaticContact CE1-NE2 3.49Å; Y88-H92 WeakPolarHBondContact CE1-NE2 3.43Å; S89-H92 VanDerWaalsContact O-CB 3.24Å; S89-H92 WeakPolarHBondContact O-CB 3.12Å; S89-H92 PolarHBondContact O-N 2.9Å; S89-H92 PolarHBondContact OG-N 3.19Å; P90-H92 VanDerWaalsContact C-N 3.29Å; P90-H92 PolarHBondContact O-N 3.41Å; H92-F94 AromaticContact CD2-CD1 3.87Å; H92-F94 AromaticContact CD2-CD2 3.96Å; H92-F94 AromaticContact CD2-CE1 3.58Å; H92-F94 AromaticContact CD2-CE2 3.7Å; H92-F94 AromaticContact CD2-CZ 3.5Å; H92-F94 VanDerWaalsContact CD2-CZ 3.5Å; H92-F94 WeakPolarHBondContact CD2-CZ 3.36Å; H92-F94 AromaticContact NE2-CD1 3.93Å; H92-F94 AromaticContact NE2-CE1 3.74Å
93	E	93.7	Very high	89.1	Confident	132 Å²	132	62.2 Å²	62.2	62%	0.617	36%	0.355	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.7	124	176.2	-70.2	-179.4	-179.5	0	0	110.7	T53 T55 S91	T53-E93 HydrophobicContact CG2-CB 4.38Å; T55-E93 HydrophobicContact CG2-CG 4.1Å; S91-E93 PolarHBondContact O-N 3.47Å
94	F	92.4	Very high	89.5	Confident	6 Å²	6	57.6 Å²	57.6	3%	0.026	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	113.7	170.8	-64.7	-82.1	0	0	0	109.2	L35 T53 Y54 A56 L59 L79 Y88 H92 I96 I102 L104	L35-F94 HydrophobicContact CD1-CB 3.99Å; L35-F94 HydrophobicContact CD1-CD1 3.78Å; L35-F94 HydrophobicContact CD1-CD2 4.36Å; L35-F94 HydrophobicContact CD1-CE1 4.33Å; L35-F94 HydrophobicContact CD1-CG 3.78Å; T53-F94 VanDerWaalsContact CA-O 3.3Å; T53-F94 WeakPolarHBondContact CA-O 3.38Å; Y54-F94 PolarHBondContact N-O 3.23Å; Y54-F94 VanDerWaalsContact N-O 3.09Å; Y54-F94 PolarHBondContact O-N 2.96Å; A56-F94 HydrophobicContact CB-CE2 3.96Å; L59-F94 HydrophobicContact CD1-CD2 3.66Å; L59-F94 HydrophobicContact CD1-CE2 4.01Å; L59-F94 HydrophobicContact CD1-CG 4.46Å; L79-F94 HydrophobicContact CD1-CE2 3.98Å; L79-F94 HydrophobicContact CD1-CZ 4.41Å; Y88-F94 HydrophobicContact CD1-CE1 4.03Å; Y88-F94 AromaticContact CD1-CZ 3.73Å; Y88-F94 HydrophobicContact CD1-CZ 3.73Å; Y88-F94 HydrophobicContact CD2-CE1 4.49Å; Y88-F94 AromaticContact CD2-CZ 3.93Å; Y88-F94 HydrophobicContact CD2-CZ 3.93Å; Y88-F94 AromaticContact CE1-CE1 3.8Å; Y88-F94 HydrophobicContact CE1-CE1 3.8Å; Y88-F94 AromaticContact CE1-CZ 3.97Å; Y88-F94 HydrophobicContact CE1-CZ 3.97Å; Y88-F94 HydrophobicContact CE2-CE1 4.29Å; Y88-F94 HydrophobicContact CE2-CZ 4.18Å; Y88-F94 HydrophobicContact CG-CE1 4.36Å; Y88-F94 AromaticContact CG-CZ 3.69Å; Y88-F94 HydrophobicContact CG-CZ 3.69Å; Y88-F94 AromaticContact CZ-CE1 3.94Å; H92-F94 AromaticContact CD2-CD1 3.87Å; H92-F94 AromaticContact CD2-CD2 3.96Å; H92-F94 AromaticContact CD2-CE1 3.58Å; H92-F94 AromaticContact CD2-CE2 3.7Å; H92-F94 AromaticContact CD2-CZ 3.5Å; H92-F94 VanDerWaalsContact CD2-CZ 3.5Å; H92-F94 WeakPolarHBondContact CD2-CZ 3.36Å; H92-F94 AromaticContact NE2-CD1 3.93Å; H92-F94 AromaticContact NE2-CE1 3.74Å; F94-I96 HydrophobicContact CB-CG1 4.22Å; F94-I102 HydrophobicContact CD1-CD1 4.46Å; F94-L104 HydrophobicContact CE1-CD1 3.8Å; F94-L104 HydrophobicContact CE2-CD1 4.12Å; F94-L104 HydrophobicContact CZ-CD1 3.52Å
95	D	90.3	Very high	90	Very high	96 Å²	96	55.1 Å²	55.1	51%	0.513	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	102.5	166.9	-179	28.8	0	0	0	109.4	K97	D95-K97 WeakPolarHBondContact OD2-CE 3.47Å
96	I	89.3	Confident	90.5	Very high	4 Å²	4	53.2 Å²	53.2	2%	0.021	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	122	-173.8	-50.5	168.1	0	0	0	109.5	L35 Y49 K51 G52 Y54 F94	L35-I96 HydrophobicContact CB-CD1 3.6Å; L35-I96 HydrophobicContact CB-CG1 4.01Å; L35-I96 HydrophobicContact CB-CG2 4.26Å; L35-I96 HydrophobicContact CD1-CD1 3.99Å; L35-I96 HydrophobicContact CD1-CG1 4.19Å; L35-I96 HydrophobicContact CG-CD1 4.3Å; Y49-I96 HydrophobicContact CG-CD1 4.4Å; K51-I96 WeakPolarHBondContact CA-O 3.32Å; G52-I96 PolarHBondContact N-O 2.66Å; G52-I96 WeakPolarHBondContact O-CB 3.34Å; G52-I96 PolarHBondContact O-N 3.02Å; Y54-I96 HydrophobicContact CD2-CD1 3.57Å; Y54-I96 HydrophobicContact CD2-CG1 4.48Å; Y54-I96 HydrophobicContact CE2-CD1 3.89Å; F94-I96 HydrophobicContact CB-CG1 4.22Å
97	K	85.5	Confident	90.7	Very high	117 Å²	117	53.6 Å²	53.6	51%	0.509	28%	0.279	S	S	.	.			trans	-108.4	158.9	175	-61.9	177.2	-175.1	174.2	0	110.7	D95 D99 S100	D95-K97 WeakPolarHBondContact OD2-CE 3.47Å; K97-D99 WeakPolarHBondContact CB-OD1 3.36Å; K97-D99 PolarHBondContact O-N 2.86Å; K97-S100 PolarHBondContact N-OG 2.95Å; K97-S100 WeakPolarHBondContact O-CB 3.28Å; K97-S100 PolarHBondContact O-N 3.41Å; K97-S100 PolarHBondContact O-OG 2.87Å
98	E	75.6	Confident	90.7	Very high	129 Å²	129	53 Å²	53	60%	0.603	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-7.6	-179.6	-67.1	-175.9	176.6	0	0	114	L33 I50	L33-E98 WeakPolarHBondContact CB-O 3.48Å; L33-E98 WeakPolarHBondContact CD1-O 3.37Å; I50-E98 HydrophobicContact CG2-CG 4.41Å
99	D	77.3	Confident	90.7	Very high	119 Å²	119	51.5 Å²	51.5	64%	0.636	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.5	1.3	174.1	65.5	-24	0	0	0	113.7	K97	K97-D99 WeakPolarHBondContact CB-OD1 3.36Å; K97-D99 PolarHBondContact O-N 2.86Å
100	S	77.3	Confident	90.8	Very high	20 Å²	20	51.9 Å²	51.9	14%	0.14	27%	0.272	C	S	.	.			trans	-67.6	146.9	179.5	-62.9	0	0	0	0	111.1	L33 G34 K97	L33-S100 CarbonylContact C-O 3.55Å; G34-S100 PolarHBondContact N-O 3.3Å; G34-S100 CarbonylContact O-C 3.45Å; G34-S100 VanDerWaalsContact O-O 3.1Å; K97-S100 PolarHBondContact N-OG 2.95Å; K97-S100 WeakPolarHBondContact O-CB 3.28Å; K97-S100 PolarHBondContact O-N 3.41Å; K97-S100 PolarHBondContact O-OG 2.87Å
101	G	84.3	Confident	90.7	Very high	70 Å²	70	51 Å²	51	72%	0.722	27%	0.265	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-132.5	52.9	-179.1	0	0	0	0	0	112.1
102	I	88.3	Confident	90.7	Very high	45 Å²	45	49.4 Å²	49.4	23%	0.231	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	126.9	-170.5	-56.6	174	0	0	0	109.7	G34 L35 E36 F94 L104	G34-I102 PolarHBondContact O-N 3.03Å; G34-I102 VanDerWaalsContact O-N 3.07Å; L35-I102 WeakPolarHBondContact CA-O 3.4Å; L35-I102 HydrophobicContact CB-CB 4.34Å; L35-I102 HydrophobicContact CD1-CB 4.33Å; L35-I102 HydrophobicContact CD1-CD1 4.45Å; L35-I102 HydrophobicContact CD1-CG2 4.08Å; L35-I102 HydrophobicContact CG-CB 4.21Å; L35-I102 HydrophobicContact CG-CG2 4.21Å; E36-I102 PolarHBondContact N-O 3.06Å; F94-I102 HydrophobicContact CD1-CD1 4.46Å; I102-L104 HydrophobicContact CG2-CD1 4.31Å; I102-L104 HydrophobicContact CG2-CD2 3.94Å; I102-L104 HydrophobicContact CG2-CG 3.91Å
103	K	93.1	Very high	90.4	Very high	125 Å²	125	49.6 Å²	49.6	54%	0.543	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	117.7	176.7	-65.1	-172.3	176.8	-169.9	0	110.7	E36	E36-K103 WeakPolarHBondContact OE2-CE 3.35Å; E36-K103 IonicContact OE2-NZ 3.24Å
104	L	95.6	Very high	90.2	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	153.5	-178.7	-55.5	179.1	0	0	0	110.2	L35 E36 I37 H38 L79 Y80 N81 Y88 F94 I102	L35-L104 HydrophobicContact CD1-CD1 4Å; L35-L104 HydrophobicContact CD2-CD1 4.38Å; L35-L104 HydrophobicContact CG-CD1 4.35Å; E36-L104 PolarHBondContact O-N 3.46Å; I37-L104 CarbonylContact C-O 3.55Å; I37-L104 WeakPolarHBondContact CA-O 3.45Å; H38-L104 PolarHBondContact N-O 3.38Å; L79-L104 HydrophobicContact CB-CD1 4.35Å; L79-L104 HydrophobicContact CD1-CD1 3.91Å; Y80-L104 CarbonylContact O-C 3.59Å; Y80-L104 WeakPolarHBondContact O-CA 3.3Å; N81-L104 HydrophobicContact CB-CD2 3.9Å; Y88-L104 HydrophobicContact CD2-CD2 4.12Å; Y88-L104 HydrophobicContact CE2-CD2 3.49Å; Y88-L104 VanDerWaalsContact CE2-CD2 3.49Å; F94-L104 HydrophobicContact CE1-CD1 3.8Å; F94-L104 HydrophobicContact CE2-CD1 4.12Å; F94-L104 HydrophobicContact CZ-CD1 3.52Å; I102-L104 HydrophobicContact CG2-CD1 4.31Å; I102-L104 HydrophobicContact CG2-CD2 3.94Å; I102-L104 HydrophobicContact CG2-CG 3.91Å
105	H	96.1	Very high	90.1	Very high	33 Å²	33	44.2 Å²	44.2	15%	0.153	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	130.2	168.9	-70.6	94	0	0	0	109.3	H38 Y40 Y80 D82	H38-H105 VanDerWaalsContact CB-CD2 3.48Å; H38-H105 WeakPolarHBondContact CB-CD2 3.43Å; H38-H105 WeakPolarHBondContact O-CA 3.37Å; Y40-H105 HydrophobicContact CE2-CB 4.46Å; Y80-H105 PolarHBondContact N-O 3.26Å; Y80-H105 PolarHBondContact O-N 3.2Å; D82-H105 VanDerWaalsContact CG-CE1 3.43Å; D82-H105 VanDerWaalsContact CG-ND1 3.27Å; D82-H105 IonicContact OD1-ND1 2.88Å; D82-H105 IonicContact OD2-CE1 3.4Å; D82-H105 PolarHBondContact OD2-CE1 3.45Å; D82-H105 IonicContact OD2-ND1 3.2Å; D82-H105 PolarHBondContact OD2-ND1 3.1Å; D82-H105 IonicContact OD2-NE2 3.39Å
106	Y	97.8	Very high	90	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	125.6	165.3	-178.7	-114.2	0	0	0	108.5	H38 F39 Y40 C60 A63 A64 I69 F77 L79 Y155	H38-Y106 PolarHBondContact O-N 2.64Å; H38-Y106 VanDerWaalsContact O-N 3.09Å; F39-Y106 HydrophobicContact CD1-CD1 4.15Å; F39-Y106 HydrophobicContact CE1-CD1 4.07Å; F39-Y106 HydrophobicContact CE1-CG 4.25Å; Y40-Y106 VanDerWaalsContact CE2-O 3.32Å; Y40-Y106 WeakPolarHBondContact CE2-O 3.46Å; C60-Y106 HydrophobicContact CB-CE2 4.13Å; A63-Y106 HydrophobicContact CB-CD1 4Å; A63-Y106 HydrophobicContact CB-CD2 3.52Å; A63-Y106 HydrophobicContact CB-CE1 4.28Å; A63-Y106 HydrophobicContact CB-CE2 3.81Å; A63-Y106 HydrophobicContact CB-CG 3.62Å; A64-Y106 WeakPolarHBondContact CB-OH 3.28Å; I69-Y106 HydrophobicContact CD1-CE1 3.58Å; F77-Y106 HydrophobicContact CB-CD2 4.38Å; F77-Y106 HydrophobicContact CB-CE1 4.25Å; F77-Y106 HydrophobicContact CB-CE2 3.5Å; F77-Y106 VanDerWaalsContact CB-CZ 3.42Å; F77-Y106 VanDerWaalsContact CB-OH 3.24Å; F77-Y106 WeakPolarHBondContact CB-OH 3.21Å; F77-Y106 HydrophobicContact CD1-CD1 4.27Å; F77-Y106 AromaticContact CD1-CE1 3.6Å; F77-Y106 HydrophobicContact CD1-CE1 3.6Å; F77-Y106 HydrophobicContact CD1-CE2 4.35Å; F77-Y106 AromaticContact CD1-CZ 3.66Å; F77-Y106 HydrophobicContact CE1-CE1 4.14Å; F77-Y106 AromaticContact CG-CE1 3.99Å; F77-Y106 HydrophobicContact CG-CE1 3.99Å; F77-Y106 HydrophobicContact CG-CE2 4.16Å; F77-Y106 AromaticContact CG-CZ 3.55Å; F77-Y106 VanDerWaalsContact CG-OH 3.22Å; F77-Y106 WeakPolarHBondContact CG-OH 3.3Å; L79-Y106 HydrophobicContact CD2-CD2 4.31Å; Y106-Y155 HydrophobicContact CD1-CE1 4.18Å; Y106-Y155 AromaticContact CD1-CE2 3.92Å; Y106-Y155 HydrophobicContact CD1-CE2 3.92Å; Y106-Y155 AromaticContact CD1-CZ 3.62Å; Y106-Y155 HydrophobicContact CE1-CE2 4.42Å; Y106-Y155 WeakPolarHBondContact O-CE1 3.33Å; Y106-Y155 PolarHBondContact O-OH 2.77Å
107	R	96.2	Very high	89.8	Confident	34 Å²	34	42.5 Å²	42.5	13%	0.128	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	139	-166.4	-167.9	-177.5	165.6	90	3	111.7	Y40 F77 A78 W87 R109 Q159 D163	Y40-R107 HydrophobicContact CE2-CB 4.09Å; Y40-R107 HydrophobicContact CE2-CG 3.92Å; Y40-R107 PolarHBondContact OH-NH1 3.32Å; Y40-R107 VanDerWaalsContact OH-NH1 3.08Å; F77-R107 CarbonylContact C-O 3.57Å; F77-R107 VanDerWaalsContact CA-O 3.32Å; F77-R107 WeakPolarHBondContact CA-O 3.48Å; A78-R107 PolarHBondContact N-O 3.14Å; A78-R107 PolarHBondContact O-N 3.41Å; A78-R107 VanDerWaalsContact O-O 3.13Å; W87-R107 HydrophobicContact CH2-CB 3.65Å; W87-R107 HydrophobicContact CH2-CG 3.54Å; W87-R107 HydrophobicContact CZ2-CG 4.37Å; W87-R107 HydrophobicContact CZ3-CB 3.74Å; W87-R107 HydrophobicContact CZ3-CG 4.18Å; R107-R109 PolarHBondContact O-N 2.92Å; R107-Q159 HydrophobicContact CG-CG 4.28Å; R107-Q159 VanDerWaalsContact CG-OE1 3.22Å; R107-D163 IonicContact CZ-OD1 3.78Å; R107-D163 IonicContact CZ-OD2 3.55Å; R107-D163 VanDerWaalsContact CZ-OD2 3.25Å; R107-D163 VanDerWaalsContact NH1-CG 3.3Å; R107-D163 IonicContact NH1-OD1 2.89Å; R107-D163 PolarHBondContact NH1-OD1 2.98Å; R107-D163 IonicContact NH1-OD2 3.22Å; R107-D163 PolarHBondContact NH1-OD2 3.4Å; R107-D163 VanDerWaalsContact NH1-OD2 3.08Å; R107-D163 IonicContact NH2-OD1 3.83Å; R107-D163 IonicContact NH2-OD2 2.88Å; R107-D163 PolarHBondContact NH2-OD2 2.93Å
108	M	96.9	Very high	89.7	Confident	10 Å²	10	40.8 Å²	40.8	5%	0.049	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	122.1	169.2	-176.6	173.2	-70.1	0	0	108.6	L76 F77 Y111 L148 L156 Q159	L76-M108 HydrophobicContact CB-CE 4.46Å; L76-M108 HydrophobicContact CB-CG 4.43Å; L76-M108 HydrophobicContact CD1-CE 4.5Å; F77-M108 HydrophobicContact CD1-CB 3.98Å; F77-M108 HydrophobicContact CE1-CB 3.78Å; F77-M108 HydrophobicContact CE1-CE 4.05Å; F77-M108 HydrophobicContact CE2-CE 3.78Å; F77-M108 HydrophobicContact CZ-CB 4.29Å; F77-M108 HydrophobicContact CZ-CE 3.39Å; M108-Y111 HydrophobicContact SD-CD2 4.42Å; M108-L148 HydrophobicContact CE-CD2 3.86Å; M108-L148 HydrophobicContact SD-CD2 4.49Å; M108-L156 HydrophobicContact CE-CB 4.24Å; M108-L156 HydrophobicContact SD-CB 4.33Å; M108-L156 HydrophobicContact SD-CD1 3.83Å; M108-L156 HydrophobicContact SD-CD2 4.05Å; M108-L156 HydrophobicContact SD-CG 4.28Å; M108-Q159 PolarHBondContact O-NE2 3.42Å; M108-Q159 VanDerWaalsContact O-NE2 3.14Å
109	R	96.3	Very high	90	Very high	11 Å²	11	36.7 Å²	36.7	4%	0.042	21%	0.21	C	C	.	.			trans	-106.2	-48.6	-176.8	-168.7	177.6	-171.9	-172.8	1.6	111.9	L76 A78 W87 R107 Y111 E282 S415 L419	L76-R109 PolarHBondContact O-N 3.35Å; A78-R109 HydrophobicContact CB-CB 4.11Å; W87-R109 HydrophobicContact CD2-CG 3.96Å; W87-R109 HydrophobicContact CE3-CB 4.14Å; W87-R109 HydrophobicContact CE3-CG 3.95Å; W87-R109 VanDerWaalsContact CG-CZ 3.47Å; W87-R109 HydrophobicContact CH2-CB 3.57Å; W87-R109 HydrophobicContact CH2-CG 3.75Å; W87-R109 HydrophobicContact CZ2-CB 4.15Å; W87-R109 HydrophobicContact CZ2-CG 3.83Å; W87-R109 HydrophobicContact CZ3-CB 3.6Å; W87-R109 HydrophobicContact CZ3-CG 3.85Å; R107-R109 PolarHBondContact O-N 2.92Å; R109-Y111 PolarHBondContact O-N 3.1Å; R109-E282 VanDerWaalsContact CG-OE1 3.24Å; R109-E282 WeakPolarHBondContact CG-OE1 3.49Å; R109-E282 IonicContact CZ-OE1 3.95Å; R109-E282 IonicContact CZ-OE2 2.73Å; R109-E282 IonicContact NE-OE1 3.08Å; R109-E282 PolarHBondContact NE-OE1 3.46Å; R109-E282 IonicContact NE-OE2 2.67Å; R109-E282 IonicContact NH2-OE1 3.37Å; R109-E282 IonicContact NH2-OE2 3.09Å; R109-E282 PolarHBondContact NH2-OE2 3.43Å; R109-S415 PolarHBondContact NH1-O 3.45Å; R109-S415 PolarHBondContact NH2-O 2.96Å; R109-S415 PolarHBondContact NH2-OG 3.48Å; R109-S415 VanDerWaalsContact NH2-OG 3.08Å; R109-L419 HydrophobicContact CG-CD1 4.23Å
110	F	96.6	Very high	89.8	Confident	12 Å²	12	40.2 Å²	40.2	5%	0.053	22%	0.222	C	C	.	.			trans	-87.8	114.1	-175.3	-55	-81.7	0	0	0	109.8	N75 L76 L419 G422 Y423 L426	N75-F110 WeakPolarHBondContact O-CD2 3.49Å; N75-F110 WeakPolarHBondContact O-CE2 3.43Å; L76-F110 HydrophobicContact CD2-CB 4.16Å; L76-F110 PolarHBondContact O-N 2.96Å; L76-F110 VanDerWaalsContact O-N 3.15Å; F110-L419 HydrophobicContact CD1-CD1 4.16Å; F110-L419 HydrophobicContact CE1-CD1 3.93Å; F110-L419 WeakPolarHBondContact CE1-O 3.39Å; F110-G422 VanDerWaalsContact CE1-CA 3.42Å; F110-Y423 HydrophobicContact CB-CE1 4.03Å; F110-Y423 HydrophobicContact CD1-CD1 4.06Å; F110-Y423 HydrophobicContact CD1-CD2 4.1Å; F110-Y423 HydrophobicContact CD1-CE1 4.09Å; F110-Y423 HydrophobicContact CD1-CE2 4.15Å; F110-Y423 HydrophobicContact CD1-CG 4.04Å; F110-L426 HydrophobicContact CB-CD1 3.47Å; F110-L426 VanDerWaalsContact CB-CD1 3.47Å; F110-L426 HydrophobicContact CD1-CD1 4.14Å; F110-L426 HydrophobicContact CD2-CD1 4.38Å; F110-L426 HydrophobicContact CG-CD1 3.74Å
111	Y	94.1	Very high	89.4	Confident	15 Å²	15	43.4 Å²	43.4	6%	0.059	26%	0.258	C	S	.	.			trans	-128.5	138.7	-170.9	-169.5	-91.3	0	0	0	111	M108 R109 K113 W115 L156 E273 M279 Y423	M108-Y111 HydrophobicContact SD-CD2 4.42Å; R109-Y111 PolarHBondContact O-N 3.1Å; Y111-K113 HydrophobicContact CD1-CG 4.43Å; Y111-K113 HydrophobicContact CE1-CG 4.21Å; Y111-W115 AromaticContact CE2-NE1 3.78Å; Y111-W115 AromaticContact CZ-CD1 3.7Å; Y111-W115 AromaticContact CZ-NE1 3.64Å; Y111-W115 PolarHBondContact OH-NE1 3.4Å; Y111-L156 HydrophobicContact CD2-CD1 4.46Å; Y111-L156 HydrophobicContact CE2-CD1 4.21Å; Y111-L156 HydrophobicContact CE2-CD2 3.92Å; Y111-E273 HydrophobicContact CE1-CG 4.49Å; Y111-E273 WeakPolarHBondContact CE1-OE1 3.43Å; Y111-E273 PolarHBondContact OH-OE1 2.98Å; Y111-M279 HydrophobicContact CE2-CE 4.12Å; Y111-Y423 PolarHBondContact N-OH 2.92Å; Y111-Y423 VanDerWaalsContact N-OH 3.1Å; Y111-Y423 PolarHBondContact O-OH 3.48Å
112	F	92.4	Very high	88.9	Confident	1 Å²	1	45 Å²	45	0%	0.004	25%	0.247	C	C	.	.			trans	-119.5	116.5	175.9	-64.5	-93.7	0	0	0	108.8	W115 V125 L147 T333 Y423 L426 I427 V564 T566	F112-W115 WeakPolarHBondContact O-CB 3.26Å; F112-W115 PolarHBondContact O-N 3.48Å; F112-V125 HydrophobicContact CB-CB 4.24Å; F112-V125 HydrophobicContact CB-CG1 3.81Å; F112-V125 HydrophobicContact CB-CG2 4.27Å; F112-V125 HydrophobicContact CD1-CG1 4.14Å; F112-V125 HydrophobicContact CG-CG1 4.05Å; F112-L147 HydrophobicContact CB-CD2 4.1Å; F112-L147 HydrophobicContact CD2-CD2 3.69Å; F112-L147 HydrophobicContact CG-CD2 4.24Å; F112-T333 HydrophobicContact CD1-CG2 4.35Å; F112-Y423 HydrophobicContact CE1-CD1 4.5Å; F112-Y423 HydrophobicContact CE2-CE1 4.42Å; F112-Y423 HydrophobicContact CZ-CD1 4.07Å; F112-Y423 HydrophobicContact CZ-CE1 4.24Å; F112-L426 HydrophobicContact CE2-CB 4.41Å; F112-L426 HydrophobicContact CE2-CD1 4.15Å; F112-L426 HydrophobicContact CZ-CB 4.01Å; F112-L426 HydrophobicContact CZ-CD1 4.4Å; F112-I427 HydrophobicContact CE1-CD1 3.79Å; F112-I427 HydrophobicContact CE1-CG1 3.81Å; F112-I427 HydrophobicContact CZ-CD1 4.15Å; F112-I427 HydrophobicContact CZ-CG1 3.91Å; F112-V564 HydrophobicContact CD1-CG1 4.02Å; F112-V564 HydrophobicContact CD2-CG1 4.36Å; F112-V564 HydrophobicContact CE1-CB 4.26Å; F112-V564 HydrophobicContact CE1-CG1 3.9Å; F112-V564 HydrophobicContact CE2-CB 4.41Å; F112-V564 HydrophobicContact CE2-CG1 4.24Å; F112-V564 HydrophobicContact CE2-CG2 3.99Å; F112-V564 HydrophobicContact CG-CG1 4.25Å; F112-V564 HydrophobicContact CZ-CB 4.02Å; F112-V564 HydrophobicContact CZ-CG1 4.01Å; F112-V564 HydrophobicContact CZ-CG2 4Å; F112-T566 HydrophobicContact CD1-CG2 4.4Å
113	K	89.5	Confident	88.1	Confident	62 Å²	62	44.6 Å²	44.6	27%	0.27	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	145.4	178.3	-71.1	-172.1	174.7	-171.3	0	111.3	Y111 W115 V125 M279	Y111-K113 HydrophobicContact CD1-CG 4.43Å; Y111-K113 HydrophobicContact CE1-CG 4.21Å; K113-W115 PolarHBondContact O-N 3.3Å; K113-V125 WeakPolarHBondContact O-CG2 3.46Å; K113-M279 VanDerWaalsContact CE-O 3.25Å; K113-M279 WeakPolarHBondContact CE-O 3.19Å
114	N	90.2	Very high	87.6	Confident	1 Å²	1	41.3 Å²	41.3	1%	0.005	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.8	30.3	-178.6	-164.3	35.1	0	0	0	114.5	H116 G117 T118 T119 E122 S123 V125 E273	N114-H116 PolarHBondContact O-N 2.93Å; N114-G117 PolarHBondContact O-N 2.95Å; N114-G117 WeakPolarHBondContact OD1-CA 3.47Å; N114-G117 PolarHBondContact OD1-N 2.8Å; N114-T118 PolarHBondContact OD1-N 2.87Å; N114-T119 WeakPolarHBondContact OD1-CB 3.38Å; N114-T119 PolarHBondContact OD1-N 3.41Å; N114-T119 VanDerWaalsContact OD1-N 3.11Å; N114-T119 PolarHBondContact OD1-OG1 2.86Å; N114-E122 HydrophobicContact CB-CB 4.18Å; N114-E122 VanDerWaalsContact ND2-C 3.32Å; N114-E122 WeakPolarHBondContact ND2-CB 3.27Å; N114-E122 PolarHBondContact ND2-O 3.29Å; N114-S123 VanDerWaalsContact ND2-C 3.29Å; N114-S123 PolarHBondContact ND2-O 3.42Å; N114-V125 PolarHBondContact O-N 3.01Å; N114-E273 PolarHBondContact N-OE1 3.39Å; N114-E273 PolarHBondContact N-OE2 2.93Å; N114-E273 VanDerWaalsContact N-OE2 3.14Å
115	W	90.2	Very high	87.2	Confident	24 Å²	24	41.7 Å²	41.7	9%	0.091	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61	-25	171.5	66.5	-89.5	0	0	0	112.9	Y111 F112 K113 V125 L147 L148 L153 L156 I266 L269	Y111-W115 AromaticContact CE2-NE1 3.78Å; Y111-W115 AromaticContact CZ-CD1 3.7Å; Y111-W115 AromaticContact CZ-NE1 3.64Å; Y111-W115 PolarHBondContact OH-NE1 3.4Å; F112-W115 WeakPolarHBondContact O-CB 3.26Å; F112-W115 PolarHBondContact O-N 3.48Å; K113-W115 PolarHBondContact O-N 3.3Å; W115-V125 HydrophobicContact CB-CB 4.49Å; W115-L147 HydrophobicContact CB-CD2 3.87Å; W115-L148 HydrophobicContact CD2-CD1 3.9Å; W115-L148 HydrophobicContact CD2-CG 4.33Å; W115-L148 HydrophobicContact CE3-CD1 3.88Å; W115-L148 HydrophobicContact CE3-CG 4.04Å; W115-L148 HydrophobicContact CH2-CD1 3.75Å; W115-L148 HydrophobicContact CZ2-CD1 3.73Å; W115-L148 HydrophobicContact CZ3-CB 4.38Å; W115-L148 HydrophobicContact CZ3-CD1 3.81Å; W115-L148 HydrophobicContact CZ3-CG 4.19Å; W115-L153 HydrophobicContact CH2-CD1 3.56Å; W115-L153 HydrophobicContact CZ2-CD1 4.07Å; W115-L156 HydrophobicContact CZ2-CD2 4.08Å; W115-I266 HydrophobicContact CH2-CD1 3.4Å; W115-I266 HydrophobicContact CZ2-CD1 4.27Å; W115-I266 HydrophobicContact CZ3-CD1 3.94Å; W115-L269 HydrophobicContact CZ2-CD1 3.85Å
116	H	88.1	Confident	86.7	Confident	27 Å²	27	43.3 Å²	43.3	13%	0.125	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.1	-13.8	176	55.2	79	0	0	0	113.2	N114 T118 T119 I266 A270 E273	N114-H116 PolarHBondContact O-N 2.93Å; H116-T118 VanDerWaalsContact C-N 3.28Å; H116-T118 PolarHBondContact CE1-OG1 3.4Å; H116-T118 PolarHBondContact ND1-N 3.09Å; H116-T118 VanDerWaalsContact ND1-N 3.18Å; H116-T118 PolarHBondContact ND1-OG1 2.87Å; H116-T118 PolarHBondContact O-N 3Å; H116-T119 PolarHBondContact CE1-OG1 3.08Å; H116-I266 HydrophobicContact CB-CD1 4.2Å; H116-I266 HydrophobicContact CB-CG2 3.97Å; H116-A270 WeakPolarHBondContact CE1-CB 3.42Å; H116-E273 IonicContact NE2-OE1 3.95Å; H116-E273 IonicContact NE2-OE2 3.6Å; H116-E273 PolarHBondContact NE2-OE2 3.27Å
117	G	84.1	Confident	86.3	Confident	38 Å²	38	43.4 Å²	43.4	39%	0.392	25%	0.247	S	C	.	.	S	Bend	trans	67	20	174.3	0	0	0	0	0	116	N114	N114-G117 PolarHBondContact O-N 2.95Å; N114-G117 WeakPolarHBondContact OD1-CA 3.47Å; N114-G117 PolarHBondContact OD1-N 2.8Å
118	T	84.6	Confident	85.7	Confident	81 Å²	81	44.2 Å²	44.2	50%	0.497	25%	0.252	S	S	.	.			trans	-99.6	-7.6	-178.3	71.4	0	0	0	0	113.5	N114 H116 I266	N114-T118 PolarHBondContact OD1-N 2.87Å; H116-T118 VanDerWaalsContact C-N 3.28Å; H116-T118 PolarHBondContact CE1-OG1 3.4Å; H116-T118 PolarHBondContact ND1-N 3.09Å; H116-T118 VanDerWaalsContact ND1-N 3.18Å; H116-T118 PolarHBondContact ND1-OG1 2.87Å; H116-T118 PolarHBondContact O-N 3Å; T118-I266 HydrophobicContact CG2-CG2 4.08Å
119	T	81.6	Confident	84.8	Confident	43 Å²	43	46.1 Å²	46.1	26%	0.264	27%	0.266	S	S	.	.	S	Bend	trans	-85.3	114.8	180	-55.3	0	0	0	0	109.5	N114 H116 E122	N114-T119 WeakPolarHBondContact OD1-CB 3.38Å; N114-T119 PolarHBondContact OD1-N 3.41Å; N114-T119 VanDerWaalsContact OD1-N 3.11Å; N114-T119 PolarHBondContact OD1-OG1 2.86Å; H116-T119 PolarHBondContact CE1-OG1 3.08Å; T119-E122 HydrophobicContact CG2-CB 4.25Å; T119-E122 HydrophobicContact CG2-CG 4.1Å
120	E	72.9	Confident	83.7	Confident	192 Å²	192	48 Å²	48	90%	0.897	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.4	134	178.4	-66.8	-175.4	178.7	0	0	111.1	E122	E120-E122 VanDerWaalsContact C-N 3.32Å; E120-E122 PolarHBondContact O-N 2.99Å
121	G	67.9	Low	81.8	Confident	87 Å²	87	53.7 Å²	53.7	90%	0.897	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	91.1	-21.3	-179.8	0	0	0	0	0	114.7
122	E	74.4	Confident	79.2	Confident	103 Å²	103	62.9 Å²	62.9	48%	0.481	35%	0.348	S	S	.	.	S	Bend	trans	-93.9	152.4	171.8	-67.6	-171.1	-175.6	0	0	111.3	N114 T119 E120	N114-E122 HydrophobicContact CB-CB 4.18Å; N114-E122 VanDerWaalsContact ND2-C 3.32Å; N114-E122 WeakPolarHBondContact ND2-CB 3.27Å; N114-E122 PolarHBondContact ND2-O 3.29Å; T119-E122 HydrophobicContact CG2-CB 4.25Å; T119-E122 HydrophobicContact CG2-CG 4.1Å; E120-E122 VanDerWaalsContact C-N 3.32Å; E120-E122 PolarHBondContact O-N 2.99Å
123	S	71.9	Confident	76.6	Confident	37 Å²	37	69.2 Å²	69.2	26%	0.259	38%	0.381	S	S	.	.	P	Polyproline II helix	trans	-85.1	137.9	-179.6	-56.4	0	0	0	0	110.2	N114 K567	N114-S123 VanDerWaalsContact ND2-C 3.29Å; N114-S123 PolarHBondContact ND2-O 3.42Å; S123-K567 WeakPolarHBondContact OG-CD 3.37Å; S123-K567 WeakPolarHBondContact OG-CE 3.48Å; S123-K567 PolarHBondContact OG-NZ 2.94Å
124	P	81.8	Confident	73.8	Confident	56 Å²	56	78 Å²	78	36%	0.364	41%	0.413	S	S	.	.	P	Polyproline II helix	trans	-67.9	158.6	175.8	1.8	9.1	0	0	0	110.6	W126	P124-W126 HydrophobicContact CB-CE3 3.81Å; P124-W126 HydrophobicContact CB-CZ3 3.56Å; P124-W126 HydrophobicContact CG-CE3 4.37Å; P124-W126 HydrophobicContact CG-CZ3 3.65Å; P124-W126 WeakPolarHBondContact O-CZ3 3.46Å
125	V	87.5	Confident	71.1	Confident	8 Å²	8	81 Å²	81	5%	0.048	44%	0.443	C	S	.	.			trans	-121.4	129.6	177.8	-178.2	0	0	0	0	109.8	F112 K113 N114 W115 T333 V564 T566	F112-V125 HydrophobicContact CB-CB 4.24Å; F112-V125 HydrophobicContact CB-CG1 3.81Å; F112-V125 HydrophobicContact CB-CG2 4.27Å; F112-V125 HydrophobicContact CD1-CG1 4.14Å; F112-V125 HydrophobicContact CG-CG1 4.05Å; K113-V125 WeakPolarHBondContact O-CG2 3.46Å; N114-V125 PolarHBondContact O-N 3.01Å; W115-V125 HydrophobicContact CB-CB 4.49Å; V125-T333 HydrophobicContact CG2-CG2 4.38Å; V125-V564 HydrophobicContact CG1-CG1 3.19Å; V125-T566 HydrophobicContact CG1-CG2 4.4Å
126	W	86.8	Confident	68.2	Low	68 Å²	68	89 Å²	89	26%	0.258	48%	0.481	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	165	-177.8	54.2	86.8	0	0	0	111.7	P124 V565	P124-W126 HydrophobicContact CB-CE3 3.81Å; P124-W126 HydrophobicContact CB-CZ3 3.56Å; P124-W126 HydrophobicContact CG-CE3 4.37Å; P124-W126 HydrophobicContact CG-CZ3 3.65Å; P124-W126 WeakPolarHBondContact O-CZ3 3.46Å; W126-V565 HydrophobicContact CZ2-CG1 4.39Å; W126-V565 PolarHBondContact O-N 3.32Å
127	R	88.1	Confident	65.4	Low	1 Å²	1	92 Å²	92	0%	0.004	51%	0.505	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	151	169.9	-72.3	173.3	179	-73.5	2.3	110.7	L72 C129 T145 L147 N561 L562 L563	L72-R127 PolarHBondContact O-NH2 3.42Å; L72-R127 VanDerWaalsContact O-NH2 3.08Å; R127-C129 PolarHBondContact O-N 3.09Å; R127-T145 PolarHBondContact N-O 2.76Å; R127-T145 PolarHBondContact O-N 3.02Å; R127-L147 HydrophobicContact CG-CD1 4.09Å; R127-L147 PolarHBondContact NE-O 2.99Å; R127-L147 VanDerWaalsContact NE-O 3.08Å; R127-N561 VanDerWaalsContact CD-O 3.31Å; R127-N561 WeakPolarHBondContact CD-O 3.41Å; R127-N561 WeakPolarHBondContact CG-O 3.13Å; R127-N561 PolarHBondContact NH1-O 2.92Å; R127-L562 PolarHBondContact NH1-O 3.48Å; R127-L562 VanDerWaalsContact NH1-O 3.1Å; R127-L563 WeakPolarHBondContact CA-O 3.41Å
128	H	83.4	Confident	63.2	Low	52 Å²	52	96.7 Å²	96.7	24%	0.241	53%	0.529	C	S	.	.			trans	-63.5	137.4	178.3	-166.6	-89.1	0	0	0	111.9	Y459 I559 S560 N561 L563 V565	H128-Y459 AromaticContact ND1-CE1 3.9Å; H128-Y459 AromaticContact ND1-CZ 3.73Å; H128-Y459 PolarHBondContact ND1-OH 3.04Å; H128-Y459 PolarHBondContact O-OH 2.73Å; H128-I559 HydrophobicContact CB-CG2 3.76Å; H128-I559 WeakPolarHBondContact CD2-CG2 3.25Å; H128-I559 WeakPolarHBondContact ND1-CG2 3.43Å; H128-I559 WeakPolarHBondContact NE2-CG2 3.27Å; H128-S560 WeakPolarHBondContact CB-O 3.45Å; H128-N561 WeakPolarHBondContact O-CA 3.36Å; H128-L563 PolarHBondContact N-O 2.96Å; H128-V565 HydrophobicContact CB-CG2 4.1Å
129	C	78.3	Confident	60.7	Low	50 Å²	50	101.8 Å²	101.8	34%	0.338	55%	0.547	S	S	.	.			trans	-132	141.8	179.4	-173.8	0	0	0	0	110.2	R127 N131 Y459	R127-C129 PolarHBondContact O-N 3.09Å; C129-N131 PolarHBondContact O-N 3.14Å; C129-Y459 VanDerWaalsContact CA-OH 3.3Å; C129-Y459 WeakPolarHBondContact CA-OH 3.41Å; C129-Y459 PolarHBondContact N-OH 2.87Å
130	L	72.6	Confident	58.4	Low	51 Å²	51	107.3 Å²	107.3	27%	0.267	57%	0.568	S	S	.	*			trans	-78.2	116.7	172	-63.1	171.9	0	0	0	108.7	K132 E458 Y459 Q462	L130-K132 PolarHBondContact O-N 3.38Å; L130-K132 VanDerWaalsContact O-N 3.1Å; L130-E458 HydrophobicContact CD1-CB 3.92Å; L130-Y459 HydrophobicContact CD1-CD1 3.8Å; L130-Y459 HydrophobicContact CD1-CD2 4.39Å; L130-Y459 HydrophobicContact CD1-CE1 3.86Å; L130-Y459 HydrophobicContact CD1-CE2 4.43Å; L130-Y459 HydrophobicContact CD1-CG 4.08Å; L130-Y459 HydrophobicContact CD2-CD1 4.16Å; L130-Y459 HydrophobicContact CD2-CE1 3.57Å; L130-Y459 HydrophobicContact CG-CD1 4.01Å; L130-Y459 HydrophobicContact CG-CE1 3.51Å; L130-Y459 HydrophobicContact CG-CE2 4.25Å; L130-Q462 HydrophobicContact CD1-CB 4.48Å
131	N	56.7	Low	56.7	Low	131 Å²	131	104 Å²	104	70%	0.701	56%	0.561	S	S	*	*			trans	-44	115.2	-175.1	-83.9	-23.7	0	0	0	113.1	C129 L133	C129-N131 PolarHBondContact O-N 3.14Å; N131-L133 HydrophobicContact CB-CB 4.29Å; N131-L133 HydrophobicContact CB-CD1 3.96Å; N131-L133 HydrophobicContact CB-CG 4.08Å; N131-L133 PolarHBondContact O-N 2.82Å
132	K	40.8	Very low	55.5	Low	208 Å²	208	105 Å²	105	90%	0.904	55%	0.551	S	S	*	*			trans	-73.8	59.5	155.6	-73	-175.3	179.2	176.7	0	109.8	L130 R134	L130-K132 PolarHBondContact O-N 3.38Å; L130-K132 VanDerWaalsContact O-N 3.1Å; K132-R134 VanDerWaalsContact C-N 3.26Å; K132-R134 PolarHBondContact O-N 3.16Å
133	L	37.4	Very low	54.4	Low	133 Å²	133	107.6 Å²	107.6	70%	0.696	56%	0.564	S	S	*	*			trans	-89.1	67	169.6	-80	165.9	0	0	0	109.7	N131	N131-L133 HydrophobicContact CB-CB 4.29Å; N131-L133 HydrophobicContact CB-CD1 3.96Å; N131-L133 HydrophobicContact CB-CG 4.08Å; N131-L133 PolarHBondContact O-N 2.82Å
134	R	30.9	Very low	53.9	Low	248 Å²	248	107 Å²	107	94%	0.936	56%	0.564	S	S	*	*	S	Bend	trans	-123.5	90.1	151.5	-89.3	-166.6	-176.8	-166.3	2.2	107.8	K132	K132-R134 VanDerWaalsContact C-N 3.26Å; K132-R134 PolarHBondContact O-N 3.16Å
135	G	34.3	Very low	53.8	Low	63 Å²	63	106.8 Å²	106.8	65%	0.649	56%	0.561	S	S	*	*	S	Bend	trans	77.7	97.8	162	0	0	0	0	0	115.7
136	Q	29	Very low	53.7	Low	191 Å²	191	110.7 Å²	110.7	89%	0.893	59%	0.587	S	S	*	*			trans	-176.5	162.3	135.1	-97.1	162.9	44.4	0	0	110.2
137	S	29.2	Very low	53.9	Low	90 Å²	90	107.7 Å²	107.7	63%	0.629	58%	0.576	S	S	*	*			trans	-57.4	160	-156	44.8	0	0	0	0	118.8	Q139	S137-Q139 VanDerWaalsContact C-N 3.27Å; S137-Q139 PolarHBondContact O-N 3.48Å
138	P	37.1	Very low	54.1	Low	137 Å²	137	108.6 Å²	108.6	89%	0.89	58%	0.58	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.6	33.5	-168.8	35	-36	0	0	0	115.3
139	Q	31.1	Very low	54.6	Low	188 Å²	188	107.9 Å²	107.9	88%	0.879	58%	0.578	S	S	*	*	T	Hydrogen-bonded Turn	trans	-128	10.9	-176.5	-89.5	-170	-10.4	0	0	116.2	S137	S137-Q139 VanDerWaalsContact C-N 3.27Å; S137-Q139 PolarHBondContact O-N 3.48Å
140	K	33.7	Very low	55.1	Low	160 Å²	160	110.9 Å²	110.9	70%	0.696	60%	0.595	S	S	*	*	S	Bend	trans	-110.4	133.1	173.7	-75.9	-174	172.4	-171.5	0	111.5
141	T	37.2	Very low	56.1	Low	122 Å²	122	108.8 Å²	108.8	75%	0.748	59%	0.586	S	S	*	*			trans	-48.4	139.7	166.8	36.5	0	0	0	0	110.1	E143	T141-E143 PolarHBondContact O-N 2.8Å
142	P	43.2	Very low	57.9	Low	107 Å²	107	102.6 Å²	102.6	70%	0.695	55%	0.552	S	S	*	*			trans	-59	115.1	-177.4	22	-30.5	0	0	0	110.4	G144	P142-G144 PolarHBondContact O-N 2.94Å
143	E	51.7	Low	60.5	Low	159 Å²	159	93 Å²	93	74%	0.743	51%	0.511	S	S	*	.			trans	-76	104	178	-73.2	176.7	-177.8	0	0	109.3	T141	T141-E143 PolarHBondContact O-N 2.8Å
144	G	61.8	Low	63.2	Low	25 Å²	25	89.4 Å²	89.4	26%	0.258	49%	0.491	S	S	.	.	P	Polyproline II helix	trans	-81.6	166.4	167.2	0	0	0	0	0	112	P142	P142-G144 PolarHBondContact O-N 2.94Å
145	T	79.2	Confident	66.3	Low	51 Å²	51	77.6 Å²	77.6	31%	0.313	45%	0.446	S	S	.	.	B	Isolated β-bridge	trans	-70	132.1	174	-56	0	0	0	0	109.2	R127	R127-T145 PolarHBondContact N-O 2.76Å; R127-T145 PolarHBondContact O-N 3.02Å
146	P	85.9	Confident	69.3	Low	90 Å²	90	74.8 Å²	74.8	58%	0.584	42%	0.416	S	S	*	.	P	Polyproline II helix	trans	-53	142.5	176.7	-26.8	34.5	0	0	0	112.1	L148	P146-L148 VanDerWaalsContact C-N 3.35Å
147	L	90.6	Very high	72.4	Confident	5 Å²	5	65.7 Å²	65.7	3%	0.026	37%	0.374	C	S	.	.	S	Bend	trans	-66.2	-39.6	179.1	179.3	64.5	0	0	0	112.2	F112 W115 R127 V564	F112-L147 HydrophobicContact CB-CD2 4.1Å; F112-L147 HydrophobicContact CD2-CD2 3.69Å; F112-L147 HydrophobicContact CG-CD2 4.24Å; W115-L147 HydrophobicContact CB-CD2 3.87Å; R127-L147 HydrophobicContact CG-CD1 4.09Å; R127-L147 PolarHBondContact NE-O 2.99Å; R127-L147 VanDerWaalsContact NE-O 3.08Å; L147-V564 HydrophobicContact CD1-CG1 4.28Å; L147-V564 HydrophobicContact CD1-CG2 3.55Å
148	L	93.1	Very high	75.6	Confident	19 Å²	19	62.7 Å²	62.7	10%	0.099	35%	0.349	C	S	.	.	S	Bend	trans	-109	138.9	-173.7	-55.8	-174.4	0	0	0	111.1	L76 M108 W115 P146 L156	L76-L148 HydrophobicContact CD1-CD2 3.47Å; L76-L148 VanDerWaalsContact CD1-CD2 3.47Å; M108-L148 HydrophobicContact CE-CD2 3.86Å; M108-L148 HydrophobicContact SD-CD2 4.49Å; W115-L148 HydrophobicContact CD2-CD1 3.9Å; W115-L148 HydrophobicContact CD2-CG 4.33Å; W115-L148 HydrophobicContact CE3-CD1 3.88Å; W115-L148 HydrophobicContact CE3-CG 4.04Å; W115-L148 HydrophobicContact CH2-CD1 3.75Å; W115-L148 HydrophobicContact CZ2-CD1 3.73Å; W115-L148 HydrophobicContact CZ3-CB 4.38Å; W115-L148 HydrophobicContact CZ3-CD1 3.81Å; W115-L148 HydrophobicContact CZ3-CG 4.19Å; P146-L148 VanDerWaalsContact C-N 3.35Å; L148-L156 HydrophobicContact CD1-CD2 3.7Å
149	D	92	Very high	78.3	Confident	37 Å²	37	56.5 Å²	56.5	20%	0.198	31%	0.308	C	S	.	.			trans	-81.6	174.6	164.5	65	19.1	0	0	0	111.7	S70 G151 S152 L153	S70-D149 WeakPolarHBondContact CB-OD2 3.37Å; S70-D149 PolarHBondContact N-OD2 3.43Å; S70-D149 PolarHBondContact OG-OD2 2.81Å; D149-G151 PolarHBondContact O-N 3.46Å; D149-G151 PolarHBondContact OD1-N 3.4Å; D149-S152 PolarHBondContact O-N 3.41Å; D149-S152 WeakPolarHBondContact OD1-CA 3.24Å; D149-S152 WeakPolarHBondContact OD1-CB 3.47Å; D149-S152 PolarHBondContact OD1-N 3.44Å; D149-S152 PolarHBondContact OD1-OG 3.31Å; D149-L153 WeakPolarHBondContact O-CB 3.44Å; D149-L153 PolarHBondContact O-N 3.22Å
150	V	90.2	Very high	81.3	Confident	114 Å²	114	47.8 Å²	47.8	69%	0.691	27%	0.268	S	S	*	.	H	α-helix	trans	-60.9	-43.4	-176.3	-179.6	0	0	0	0	111.7	L153 E154	V150-L153 PolarHBondContact O-N 3.45Å; V150-E154 PolarHBondContact O-N 3.01Å
151	G	92.4	Very high	84.1	Confident	7 Å²	7	41.1 Å²	41.1	7%	0.072	24%	0.239	C	C	.	.	H	α-helix	trans	-65	-40.6	178.7	0	0	0	0	0	112.5	D149 E154 Y155	D149-G151 PolarHBondContact O-N 3.46Å; D149-G151 PolarHBondContact OD1-N 3.4Å; G151-E154 PolarHBondContact O-N 2.54Å; G151-Y155 WeakPolarHBondContact O-CB 3.29Å; G151-Y155 PolarHBondContact O-N 3.48Å
152	S	95.5	Very high	86.8	Confident	0 Å²	0	38.2 Å²	38.2	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-67.7	-39.4	177.5	-57.2	0	0	0	0	112.2	C73 D149 Y155 L156	C73-S152 WeakPolarHBondContact CB-OG 3.43Å; D149-S152 PolarHBondContact O-N 3.41Å; D149-S152 WeakPolarHBondContact OD1-CA 3.24Å; D149-S152 WeakPolarHBondContact OD1-CB 3.47Å; D149-S152 PolarHBondContact OD1-N 3.44Å; D149-S152 PolarHBondContact OD1-OG 3.31Å; S152-Y155 PolarHBondContact O-N 3.3Å; S152-L156 VanDerWaalsContact O-CB 3.28Å; S152-L156 WeakPolarHBondContact O-CB 3.31Å; S152-L156 PolarHBondContact O-N 3.39Å
153	L	94.9	Very high	89	Confident	6 Å²	6	33.5 Å²	33.5	3%	0.031	19%	0.186	C	C	.	.	H	α-helix	trans	-62.8	-45.4	174.8	173.8	56.3	0	0	0	111.6	W115 D149 V150 L156 Y157 Y262 I266 L269	W115-L153 HydrophobicContact CH2-CD1 3.56Å; W115-L153 HydrophobicContact CZ2-CD1 4.07Å; D149-L153 WeakPolarHBondContact O-CB 3.44Å; D149-L153 PolarHBondContact O-N 3.22Å; V150-L153 PolarHBondContact O-N 3.45Å; L153-L156 PolarHBondContact O-N 3.23Å; L153-Y157 WeakPolarHBondContact O-CB 3.33Å; L153-Y157 PolarHBondContact O-N 3.26Å; L153-Y262 HydrophobicContact CD2-CD2 3.43Å; L153-Y262 VanDerWaalsContact CD2-CD2 3.43Å; L153-Y262 HydrophobicContact CD2-CE2 3.21Å; L153-Y262 HydrophobicContact CD2-CG 4.46Å; L153-I266 HydrophobicContact CD1-CD1 4.16Å; L153-I266 HydrophobicContact CD2-CD1 4.2Å; L153-L269 HydrophobicContact CD1-CD1 3.62Å
154	E	94.4	Very high	90.9	Very high	59 Å²	59	26 Å²	26	28%	0.276	15%	0.151	S	C	.	.	H	α-helix	trans	-60.8	-46.5	176.1	178.2	152	-105.4	0	0	111.9	I41 V150 G151 L156 Y157 F158 K265	I41-E154 HydrophobicContact CD1-CG 4.25Å; V150-E154 PolarHBondContact O-N 3.01Å; G151-E154 PolarHBondContact O-N 2.54Å; E154-L156 PolarHBondContact O-N 3.1Å; E154-Y157 WeakPolarHBondContact O-CB 3.22Å; E154-Y157 PolarHBondContact O-N 3Å; E154-F158 HydrophobicContact CG-CD2 4.05Å; E154-F158 HydrophobicContact CG-CE2 3.86Å; E154-F158 VanDerWaalsContact O-CD2 3.26Å; E154-F158 WeakPolarHBondContact O-CD2 3.38Å; E154-F158 PolarHBondContact O-N 2.79Å; E154-K265 IonicContact OE1-NZ 2.69Å; E154-K265 PolarHBondContact OE1-NZ 3.03Å
155	Y	96.7	Very high	92.3	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-60.5	-47.4	177.6	-159.9	-82.9	0	0	0	112.2	F39 Y40 I41 C67 F77 Y106 G151 S152 Y157 F158 Q159	F39-Y155 HydrophobicContact CB-CE2 4.37Å; F39-Y155 HydrophobicContact CD1-CE2 4.03Å; Y40-Y155 AromaticContact CD2-CE1 3.65Å; Y40-Y155 HydrophobicContact CD2-CE1 3.65Å; Y40-Y155 AromaticContact CD2-CZ 3.85Å; Y40-Y155 HydrophobicContact CE2-CE1 4.31Å; I41-Y155 HydrophobicContact CD1-CD2 3.69Å; I41-Y155 HydrophobicContact CD1-CE2 4.38Å; I41-Y155 HydrophobicContact CD1-CG 4.47Å; I41-Y155 HydrophobicContact CG1-CD2 4Å; I41-Y155 HydrophobicContact CG1-CE2 4.37Å; C67-Y155 HydrophobicContact CB-CD2 4.06Å; C67-Y155 HydrophobicContact CB-CE2 4.37Å; C67-Y155 VanDerWaalsContact SG-CE2 3.55Å; F77-Y155 HydrophobicContact CD1-CD1 4.32Å; F77-Y155 HydrophobicContact CD1-CE1 4.43Å; F77-Y155 AromaticContact CE1-CD1 3.52Å; F77-Y155 HydrophobicContact CE1-CD1 3.52Å; F77-Y155 HydrophobicContact CE1-CE1 4.06Å; F77-Y155 AromaticContact CE1-CG 3.97Å; F77-Y155 HydrophobicContact CE1-CG 3.97Å; F77-Y155 HydrophobicContact CZ-CD1 4.43Å; Y106-Y155 HydrophobicContact CD1-CE1 4.18Å; Y106-Y155 AromaticContact CD1-CE2 3.92Å; Y106-Y155 HydrophobicContact CD1-CE2 3.92Å; Y106-Y155 AromaticContact CD1-CZ 3.62Å; Y106-Y155 HydrophobicContact CE1-CE2 4.42Å; Y106-Y155 WeakPolarHBondContact O-CE1 3.33Å; Y106-Y155 PolarHBondContact O-OH 2.77Å; G151-Y155 WeakPolarHBondContact O-CB 3.29Å; G151-Y155 PolarHBondContact O-N 3.48Å; S152-Y155 PolarHBondContact O-N 3.3Å; Y155-Y157 VanDerWaalsContact C-N 3.31Å; Y155-Y157 PolarHBondContact O-N 2.97Å; Y155-F158 PolarHBondContact O-N 3.44Å; Y155-Q159 WeakPolarHBondContact O-CB 3.48Å; Y155-Q159 PolarHBondContact O-N 2.97Å
156	L	95.9	Very high	92.7	Very high	3 Å²	3	27.7 Å²	27.7	2%	0.016	15%	0.153	C	C	.	.	H	α-helix	trans	-60.3	-41.4	178.3	177.1	61.4	0	0	0	111.4	M108 Y111 W115 L148 S152 L153 E154 F158 Q159 C160 L269	M108-L156 HydrophobicContact CE-CB 4.24Å; M108-L156 HydrophobicContact SD-CB 4.33Å; M108-L156 HydrophobicContact SD-CD1 3.83Å; M108-L156 HydrophobicContact SD-CD2 4.05Å; M108-L156 HydrophobicContact SD-CG 4.28Å; Y111-L156 HydrophobicContact CD2-CD1 4.46Å; Y111-L156 HydrophobicContact CE2-CD1 4.21Å; Y111-L156 HydrophobicContact CE2-CD2 3.92Å; W115-L156 HydrophobicContact CZ2-CD2 4.08Å; L148-L156 HydrophobicContact CD1-CD2 3.7Å; S152-L156 VanDerWaalsContact O-CB 3.28Å; S152-L156 WeakPolarHBondContact O-CB 3.31Å; S152-L156 PolarHBondContact O-N 3.39Å; L153-L156 PolarHBondContact O-N 3.23Å; E154-L156 PolarHBondContact O-N 3.1Å; L156-F158 PolarHBondContact O-N 3.3Å; L156-Q159 PolarHBondContact O-N 2.74Å; L156-C160 VanDerWaalsContact O-CB 3.24Å; L156-C160 WeakPolarHBondContact O-CB 3.43Å; L156-C160 PolarHBondContact O-N 2.94Å; L156-C160 PolarHBondContact O-SG 3.34Å; L156-C160 VanDerWaalsContact O-SG 3.35Å; L156-L269 HydrophobicContact CD2-CD1 3.93Å; L156-L269 HydrophobicContact CD2-CD2 4.47Å; L156-L269 HydrophobicContact CG-CD1 4.09Å; L156-L269 HydrophobicContact CG-CD2 4.05Å
157	Y	95.6	Very high	92.6	Very high	1 Å²	1	25.1 Å²	25.1	0%	0.004	14%	0.142	C	C	.	.	H	α-helix	trans	-56.9	-51	177.1	173.7	-102.7	0	0	0	112.2	L153 E154 Y155 C160 Q161 H197 K265 Y268	L153-Y157 WeakPolarHBondContact O-CB 3.33Å; L153-Y157 PolarHBondContact O-N 3.26Å; E154-Y157 WeakPolarHBondContact O-CB 3.22Å; E154-Y157 PolarHBondContact O-N 3Å; Y155-Y157 VanDerWaalsContact C-N 3.31Å; Y155-Y157 PolarHBondContact O-N 2.97Å; Y157-C160 PolarHBondContact O-N 3.33Å; Y157-Q161 HydrophobicContact CE1-CG 4.45Å; Y157-Q161 WeakPolarHBondContact O-CG 3.33Å; Y157-Q161 PolarHBondContact O-N 2.91Å; Y157-Q161 PolarHBondContact OH-NE2 3.39Å; Y157-H197 AromaticContact CE1-CE1 3.76Å; Y157-H197 AromaticContact CE1-ND1 3.69Å; Y157-H197 AromaticContact CZ-CG 3.88Å; Y157-H197 AromaticContact CZ-ND1 3.92Å; Y157-H197 VanDerWaalsContact OH-CB 3.32Å; Y157-H197 WeakPolarHBondContact OH-CB 3.29Å; Y157-H197 VanDerWaalsContact OH-CG 3.31Å; Y157-K265 HydrophobicContact CD1-CD 4.48Å; Y157-K265 HydrophobicContact CD1-CG 4.16Å; Y157-K265 HydrophobicContact CD2-CB 3.91Å; Y157-K265 HydrophobicContact CD2-CG 3.76Å; Y157-K265 HydrophobicContact CE1-CG 4.47Å; Y157-K265 HydrophobicContact CE2-CB 4.4Å; Y157-K265 HydrophobicContact CE2-CG 4.08Å; Y157-K265 HydrophobicContact CG-CB 4.26Å; Y157-K265 HydrophobicContact CG-CD 4.25Å; Y157-K265 HydrophobicContact CG-CG 3.77Å; Y157-Y268 AromaticContact CD2-CD1 3.92Å; Y157-Y268 HydrophobicContact CD2-CD1 3.92Å; Y157-Y268 HydrophobicContact CD2-CG 4.28Å; Y157-Y268 AromaticContact CE2-CD1 3.76Å; Y157-Y268 HydrophobicContact CE2-CD1 3.76Å; Y157-Y268 HydrophobicContact CE2-CD2 4.43Å; Y157-Y268 HydrophobicContact CE2-CE1 4.45Å; Y157-Y268 AromaticContact CE2-CG 3.76Å; Y157-Y268 HydrophobicContact CE2-CG 3.76Å
158	F	95.2	Very high	92.3	Very high	26 Å²	26	28.6 Å²	28.6	11%	0.114	16%	0.158	C	C	.	.	H	α-helix	trans	-69.1	-38.1	179.3	-74.1	-70.1	0	0	0	112.8	I41 P42 E154 Y155 L156 C160 Q161 H162	I41-F158 HydrophobicContact CB-CD2 4.49Å; I41-F158 HydrophobicContact CG1-CB 4.43Å; I41-F158 HydrophobicContact CG1-CD2 3.85Å; I41-F158 HydrophobicContact CG1-CG 4.42Å; I41-F158 HydrophobicContact CG2-CE2 4.46Å; P42-F158 HydrophobicContact CG-CE1 4.5Å; E154-F158 HydrophobicContact CG-CD2 4.05Å; E154-F158 HydrophobicContact CG-CE2 3.86Å; E154-F158 VanDerWaalsContact O-CD2 3.26Å; E154-F158 WeakPolarHBondContact O-CD2 3.38Å; E154-F158 PolarHBondContact O-N 2.79Å; Y155-F158 PolarHBondContact O-N 3.44Å; L156-F158 PolarHBondContact O-N 3.3Å; F158-C160 PolarHBondContact O-N 2.88Å; F158-Q161 PolarHBondContact O-N 2.79Å; F158-H162 PolarHBondContact O-N 3.49Å
159	Q	94.8	Very high	91.9	Very high	7 Å²	7	28.2 Å²	28.2	3%	0.033	16%	0.157	C	C	.	.	H	α-helix	trans	-58	-48.7	173.2	177.5	178.8	-49	0	0	111.2	Y40 R107 M108 Y155 L156 Q161 H162 D163	Y40-Q159 HydrophobicContact CD2-CB 3.73Å; Y40-Q159 HydrophobicContact CD2-CG 3.89Å; Y40-Q159 HydrophobicContact CE2-CB 4.19Å; Y40-Q159 HydrophobicContact CE2-CG 3.79Å; Y40-Q159 HydrophobicContact CG-CB 3.98Å; Y40-Q159 HydrophobicContact CG-CG 4.36Å; R107-Q159 HydrophobicContact CG-CG 4.28Å; R107-Q159 VanDerWaalsContact CG-OE1 3.22Å; M108-Q159 PolarHBondContact O-NE2 3.42Å; M108-Q159 VanDerWaalsContact O-NE2 3.14Å; Y155-Q159 WeakPolarHBondContact O-CB 3.48Å; Y155-Q159 PolarHBondContact O-N 2.97Å; L156-Q159 PolarHBondContact O-N 2.74Å; Q159-Q161 PolarHBondContact O-N 2.94Å; Q159-H162 WeakPolarHBondContact O-CB 3.3Å; Q159-H162 PolarHBondContact O-N 3.34Å; Q159-D163 VanDerWaalsContact O-CG 3.22Å; Q159-D163 PolarHBondContact O-N 3.2Å
160	C	93.5	Very high	91.5	Very high	5 Å²	5	28.8 Å²	28.8	3%	0.034	16%	0.163	C	C	.	.	H	α-helix	trans	-63.6	-40.8	178.6	-79.7	0	0	0	0	112.1	L156 Y157 F158 H162 D163 F164 L269 M272 M279	L156-C160 VanDerWaalsContact O-CB 3.24Å; L156-C160 WeakPolarHBondContact O-CB 3.43Å; L156-C160 PolarHBondContact O-N 2.94Å; L156-C160 PolarHBondContact O-SG 3.34Å; L156-C160 VanDerWaalsContact O-SG 3.35Å; Y157-C160 PolarHBondContact O-N 3.33Å; F158-C160 PolarHBondContact O-N 2.88Å; C160-H162 VanDerWaalsContact C-N 3.32Å; C160-H162 PolarHBondContact O-N 3.49Å; C160-D163 PolarHBondContact O-N 3.24Å; C160-F164 VanDerWaalsContact O-CB 3.25Å; C160-F164 WeakPolarHBondContact O-CB 3.49Å; C160-F164 PolarHBondContact O-N 3.33Å; C160-L269 HydrophobicContact CB-CD2 3.59Å; C160-L269 VanDerWaalsContact SG-CD2 3.5Å; C160-M272 HydrophobicContact CB-CE 3.67Å; C160-M272 HydrophobicContact CB-SD 3.56Å; C160-M272 VanDerWaalsContact CB-SD 3.56Å; C160-M272 WeakPolarHBondContact O-CE 3.29Å; C160-M279 WeakPolarHBondContact SG-CE 3.38Å
161	Q	92.9	Very high	91.4	Very high	20 Å²	20	25.3 Å²	25.3	9%	0.093	14%	0.14	C	C	.	.	H	α-helix	trans	-58.1	-45.3	173.3	-77	-171.9	-28.1	0	0	112.1	Y157 F158 Q159 F164 Q165 Y268	Y157-Q161 HydrophobicContact CE1-CG 4.45Å; Y157-Q161 WeakPolarHBondContact O-CG 3.33Å; Y157-Q161 PolarHBondContact O-N 2.91Å; Y157-Q161 PolarHBondContact OH-NE2 3.39Å; F158-Q161 PolarHBondContact O-N 2.79Å; Q159-Q161 PolarHBondContact O-N 2.94Å; Q161-F164 PolarHBondContact O-N 3.44Å; Q161-Q165 WeakPolarHBondContact O-CB 3.44Å; Q161-Q165 VanDerWaalsContact O-CG 3.24Å; Q161-Q165 WeakPolarHBondContact O-CG 3.49Å; Q161-Q165 PolarHBondContact O-N 2.95Å; Q161-Y268 HydrophobicContact CB-CE1 4.48Å; Q161-Y268 HydrophobicContact CG-CD1 4.38Å; Q161-Y268 HydrophobicContact CG-CE1 3.51Å; Q161-Y268 HydrophobicContact CG-CE2 4.5Å
162	H	92.4	Very high	91.1	Very high	61 Å²	61	28.2 Å²	28.2	28%	0.282	15%	0.149	S	C	.	.	H	α-helix	trans	-61.8	-46.2	176.6	176.6	-83.6	0	0	0	111.4	Y40 F158 Q159 C160 F164 Q165 T166	Y40-H162 HydrophobicContact CD1-CB 3.74Å; Y40-H162 AromaticContact CD1-CG 3.69Å; Y40-H162 AromaticContact CD1-ND1 3.96Å; Y40-H162 HydrophobicContact CE1-CB 4.17Å; Y40-H162 AromaticContact CE1-CE1 4Å; Y40-H162 AromaticContact CE1-CG 3.76Å; Y40-H162 AromaticContact CE1-ND1 3.52Å; F158-H162 PolarHBondContact O-N 3.49Å; Q159-H162 WeakPolarHBondContact O-CB 3.3Å; Q159-H162 PolarHBondContact O-N 3.34Å; C160-H162 VanDerWaalsContact C-N 3.32Å; C160-H162 PolarHBondContact O-N 3.49Å; H162-F164 VanDerWaalsContact C-N 3.34Å; H162-F164 PolarHBondContact O-N 3.03Å; H162-Q165 PolarHBondContact O-N 2.94Å; H162-T166 WeakPolarHBondContact O-CB 3.38Å; H162-T166 WeakPolarHBondContact O-CG2 3.48Å; H162-T166 PolarHBondContact O-N 3.49Å; H162-T166 PolarHBondContact O-OG1 2.8Å
163	D	91.3	Very high	90.5	Very high	8 Å²	8	32.5 Å²	32.5	4%	0.043	18%	0.184	C	C	.	.	H	α-helix	trans	-64.7	-37.7	179.9	-67.3	-21	0	0	0	113.1	R107 Q159 C160 G167 K168 A169	R107-D163 IonicContact CZ-OD1 3.78Å; R107-D163 IonicContact CZ-OD2 3.55Å; R107-D163 VanDerWaalsContact CZ-OD2 3.25Å; R107-D163 VanDerWaalsContact NH1-CG 3.3Å; R107-D163 IonicContact NH1-OD1 2.89Å; R107-D163 PolarHBondContact NH1-OD1 2.98Å; R107-D163 IonicContact NH1-OD2 3.22Å; R107-D163 PolarHBondContact NH1-OD2 3.4Å; R107-D163 VanDerWaalsContact NH1-OD2 3.08Å; R107-D163 IonicContact NH2-OD1 3.83Å; R107-D163 IonicContact NH2-OD2 2.88Å; R107-D163 PolarHBondContact NH2-OD2 2.93Å; Q159-D163 VanDerWaalsContact O-CG 3.22Å; Q159-D163 PolarHBondContact O-N 3.2Å; C160-D163 PolarHBondContact O-N 3.24Å; D163-G167 CarbonylContact O-C 3.46Å; D163-G167 PolarHBondContact O-N 2.85Å; D163-K168 HydrophobicContact CB-CB 4.13Å; D163-K168 PolarHBondContact O-N 2.74Å; D163-A169 HydrophobicContact CB-CB 4.12Å; D163-A169 PolarHBondContact O-N 3.42Å
164	F	91.1	Very high	89.9	Confident	1 Å²	1	34 Å²	34	0%	0.004	20%	0.197	C	C	.	.	H	α-helix	trans	-66.6	-42.7	175.9	-177.9	-112.1	0	0	0	111.6	C160 Q161 H162 L171 C187 M190 P220 M272 L275	C160-F164 VanDerWaalsContact O-CB 3.25Å; C160-F164 WeakPolarHBondContact O-CB 3.49Å; C160-F164 PolarHBondContact O-N 3.33Å; Q161-F164 PolarHBondContact O-N 3.44Å; H162-F164 VanDerWaalsContact C-N 3.34Å; H162-F164 PolarHBondContact O-N 3.03Å; F164-L171 HydrophobicContact CE2-CD2 3.91Å; F164-C187 HydrophobicContact CZ-CB 4.2Å; F164-M190 HydrophobicContact CE1-CB 4.04Å; F164-M190 HydrophobicContact CZ-CB 4.15Å; F164-M190 HydrophobicContact CZ-CG 4.32Å; F164-P220 HydrophobicContact CD1-CG 4.31Å; F164-P220 HydrophobicContact CD2-CG 4.03Å; F164-P220 HydrophobicContact CE1-CG 3.96Å; F164-P220 HydrophobicContact CE2-CG 3.64Å; F164-P220 HydrophobicContact CG-CG 4.36Å; F164-P220 VanDerWaalsContact CZ-CD 3.49Å; F164-P220 HydrophobicContact CZ-CG 3.61Å; F164-P220 WeakPolarHBondContact O-CA 3.48Å; F164-P220 WeakPolarHBondContact O-CB 3.32Å; F164-P220 WeakPolarHBondContact O-CG 3.1Å; F164-M272 HydrophobicContact CB-CE 3.72Å; F164-M272 HydrophobicContact CB-SD 4.4Å; F164-M272 HydrophobicContact CD2-CE 4.47Å; F164-M272 HydrophobicContact CG-CE 4.18Å; F164-L275 HydrophobicContact CE2-CD2 3.72Å; F164-L275 HydrophobicContact CZ-CD2 4.08Å
165	Q	90.6	Very high	89.3	Confident	55 Å²	55	38.3 Å²	38.3	26%	0.257	22%	0.218	S	C	.	.	H	α-helix	trans	-69.7	-49	179.4	-71.8	171.1	23.7	0	0	112	Q161 H162 G167 R217 E221	Q161-Q165 WeakPolarHBondContact O-CB 3.44Å; Q161-Q165 VanDerWaalsContact O-CG 3.24Å; Q161-Q165 WeakPolarHBondContact O-CG 3.49Å; Q161-Q165 PolarHBondContact O-N 2.95Å; H162-Q165 PolarHBondContact O-N 2.94Å; Q165-G167 PolarHBondContact O-N 3.12Å; Q165-R217 PolarHBondContact NE2-O 3.04Å; Q165-R217 PolarHBondContact OE1-O 3.34Å; Q165-E221 WeakPolarHBondContact O-CG 3.41Å; Q165-E221 PolarHBondContact O-N 3.27Å
166	T	88.1	Confident	88.9	Confident	58 Å²	58	41.2 Å²	41.2	36%	0.356	24%	0.238	S	C	.	.	H	α-helix	trans	-74.2	-12.6	-178.1	56.9	0	0	0	0	113.6	H162	H162-T166 WeakPolarHBondContact O-CB 3.38Å; H162-T166 WeakPolarHBondContact O-CG2 3.48Å; H162-T166 PolarHBondContact O-N 3.49Å; H162-T166 PolarHBondContact O-OG1 2.8Å
167	G	83.9	Confident	88.3	Confident	35 Å²	35	49 Å²	49	36%	0.361	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.1	12.8	-179.3	0	0	0	0	0	114.4	D163 Q165 A169	D163-G167 CarbonylContact O-C 3.46Å; D163-G167 PolarHBondContact O-N 2.85Å; Q165-G167 PolarHBondContact O-N 3.12Å; G167-A169 PolarHBondContact O-N 3.03Å
168	K	83.6	Confident	87.9	Confident	79 Å²	79	52.4 Å²	52.4	34%	0.343	30%	0.302	S	S	.	.	S	Bend	trans	-63.1	-27.9	170.4	-70	-175.4	-176.6	176.6	0	112	D82 D163 P170	D82-K168 IonicContact OD1-NZ 3.56Å; D82-K168 PolarHBondContact OD1-NZ 3.24Å; D82-K168 IonicContact OD2-NZ 3.82Å; D82-K168 PolarHBondContact OD2-NZ 2.88Å; D163-K168 HydrophobicContact CB-CB 4.13Å; D163-K168 PolarHBondContact O-N 2.74Å; K168-P170 VanDerWaalsContact O-CD 3.26Å; K168-P170 WeakPolarHBondContact O-CD 3.47Å
169	A	84.3	Confident	87.5	Confident	11 Å²	11	52.8 Å²	52.8	9%	0.091	31%	0.305	C	S	.	.	S	Bend	trans	-102.9	91.9	168.7	0	0	0	0	0	109.8	D163 G167 T276	D163-A169 HydrophobicContact CB-CB 4.12Å; D163-A169 PolarHBondContact O-N 3.42Å; G167-A169 PolarHBondContact O-N 3.03Å; A169-T276 HydrophobicContact CB-CG2 4.07Å
170	P	84	Confident	87.1	Confident	48 Å²	48	55.8 Å²	55.8	31%	0.312	32%	0.318	S	S	.	.	P	Polyproline II helix	trans	-68.6	138.4	-175.8	27.6	-34.9	0	0	0	111.7	K168 T276 S277 R278	K168-P170 VanDerWaalsContact O-CD 3.26Å; K168-P170 WeakPolarHBondContact O-CD 3.47Å; P170-T276 WeakPolarHBondContact O-CA 3.31Å; P170-T276 WeakPolarHBondContact O-CB 3.47Å; P170-S277 PolarHBondContact O-N 3.29Å; P170-S277 VanDerWaalsContact O-N 3.12Å; P170-S277 PolarHBondContact O-OG 2.8Å; P170-R278 HydrophobicContact CG-CB 4.33Å; P170-R278 HydrophobicContact CG-CG 4.12Å
171	L	88.1	Confident	86.8	Confident	41 Å²	41	60.4 Å²	60.4	22%	0.215	34%	0.339	C	S	.	.	B	Isolated β-bridge	trans	-57.2	148.3	172.5	-61.9	175.5	0	0	0	110.6	F164 I183 P220 L275	F164-L171 HydrophobicContact CE2-CD2 3.91Å; L171-I183 HydrophobicContact CB-CG2 4.4Å; L171-I183 HydrophobicContact CD1-CG2 3.92Å; L171-I183 HydrophobicContact CD2-CG2 4.4Å; L171-I183 HydrophobicContact CG-CG2 4.48Å; L171-P220 HydrophobicContact CD1-CG 4.37Å; L171-P220 HydrophobicContact CD2-CG 4.41Å; L171-L275 HydrophobicContact CD2-CD1 4.04Å; L171-L275 HydrophobicContact CD2-CD2 3.99Å; L171-L275 HydrophobicContact CD2-CG 3.67Å
172	R	86	Confident	86.5	Confident	68 Å²	68	64.1 Å²	64.1	26%	0.257	36%	0.357	S	S	.	.	P	Polyproline II helix	trans	-59.9	145.5	172.8	67.2	-167.9	-179.7	104.8	-0.2	111.3	A174 E179 I183 G274 L275	R172-A174 PolarHBondContact O-N 3.44Å; R172-E179 IonicContact CZ-OE1 3.5Å; R172-E179 IonicContact NH1-OE1 2.52Å; R172-E179 PolarHBondContact NH1-OE1 2.75Å; R172-I183 HydrophobicContact CG-CD1 3.78Å; R172-I183 HydrophobicContact CG-CG1 4.26Å; R172-G274 WeakPolarHBondContact CD-O 3.41Å; R172-L275 PolarHBondContact N-O 3.44Å
173	A	82.7	Confident	86.4	Confident	90 Å²	90	61.3 Å²	61.3	74%	0.744	34%	0.344	S	S	*	.	P	Polyproline II helix	trans	-72.1	124.4	178.9	0	0	0	0	0	110
174	A	83.6	Confident	86.3	Confident	37 Å²	37	61.7 Å²	61.7	31%	0.306	35%	0.345	S	S	.	.	P	Polyproline II helix	trans	-73.7	132	176.9	0	0	0	0	0	111	R172 E179 Q180 I183	R172-A174 PolarHBondContact O-N 3.44Å; A174-E179 HydrophobicContact CB-CB 4.47Å; A174-E179 HydrophobicContact CB-CG 4.43Å; A174-Q180 HydrophobicContact CB-CB 3.88Å; A174-Q180 VanDerWaalsContact CB-OE1 3.28Å; A174-I183 HydrophobicContact CB-CD1 4.05Å
175	Q	81.4	Confident	86.2	Confident	151 Å²	151	66.5 Å²	66.5	71%	0.706	37%	0.371	S	S	*	.	S	Bend	trans	-89.9	-13.5	175.3	-55.4	-175.8	0.3	0	0	112	E179	Q175-E179 WeakPolarHBondContact CB-OE2 3.32Å; Q175-E179 PolarHBondContact N-OE2 3.42Å
176	S	88.6	Confident	86.2	Confident	61 Å²	61	66.8 Å²	66.8	43%	0.427	37%	0.372	S	S	.	.	S	Bend	trans	-149.2	160.8	179.1	70.5	0	0	0	0	112.9	A178 E179 Q180	S176-A178 PolarHBondContact O-N 3.26Å; S176-E179 PolarHBondContact O-N 2.87Å; S176-E179 WeakPolarHBondContact OG-CB 3.49Å; S176-E179 PolarHBondContact OG-N 3.32Å; S176-Q180 PolarHBondContact O-N 3.43Å
177	E	83.8	Confident	86.4	Confident	166 Å²	166	64 Å²	64	78%	0.776	36%	0.355	S	S	*	.	H	α-helix	trans	-61.4	-31.2	173.8	-70.9	-173.1	168.2	0	0	112.9	Q180 H181	E177-Q180 PolarHBondContact O-N 3.46Å; E177-H181 PolarHBondContact O-N 3.43Å; E177-H181 VanDerWaalsContact O-N 3.12Å
178	A	86.1	Confident	86.8	Confident	72 Å²	72	63.1 Å²	63.1	60%	0.595	34%	0.342	S	S	*	.	H	α-helix	trans	-66.7	-45.2	176.9	0	0	0	0	0	111.3	S176 Q180 H181 E182	S176-A178 PolarHBondContact O-N 3.26Å; A178-Q180 VanDerWaalsContact C-N 3.34Å; A178-H181 PolarHBondContact O-N 3.05Å; A178-E182 PolarHBondContact O-N 2.87Å
179	E	86.4	Confident	87.2	Confident	35 Å²	35	60.1 Å²	60.1	16%	0.164	33%	0.334	C	S	.	.	H	α-helix	trans	-67	-35.7	176.5	-174.3	173.5	-151.6	0	0	111.8	R172 A174 Q175 S176 H181 E182 I183	R172-E179 IonicContact CZ-OE1 3.5Å; R172-E179 IonicContact NH1-OE1 2.52Å; R172-E179 PolarHBondContact NH1-OE1 2.75Å; A174-E179 HydrophobicContact CB-CB 4.47Å; A174-E179 HydrophobicContact CB-CG 4.43Å; Q175-E179 WeakPolarHBondContact CB-OE2 3.32Å; Q175-E179 PolarHBondContact N-OE2 3.42Å; S176-E179 PolarHBondContact O-N 2.87Å; S176-E179 WeakPolarHBondContact OG-CB 3.49Å; S176-E179 PolarHBondContact OG-N 3.32Å; E179-H181 VanDerWaalsContact C-N 3.31Å; E179-H181 PolarHBondContact O-N 3.3Å; E179-E182 WeakPolarHBondContact O-CB 3.39Å; E179-E182 PolarHBondContact O-N 2.99Å; E179-I183 HydrophobicContact CG-CD1 4.22Å; E179-I183 VanDerWaalsContact O-CG1 3.31Å; E179-I183 WeakPolarHBondContact O-CG1 3.46Å; E179-I183 PolarHBondContact O-N 3.45Å
180	Q	87.3	Confident	87.6	Confident	69 Å²	69	59.6 Å²	59.6	32%	0.322	33%	0.33	S	S	.	.	H	α-helix	trans	-59.6	-42.6	172.4	-177.2	62.4	34.5	0	0	111.6	A174 S176 E177 A178 E184	A174-Q180 HydrophobicContact CB-CB 3.88Å; A174-Q180 VanDerWaalsContact CB-OE1 3.28Å; S176-Q180 PolarHBondContact O-N 3.43Å; E177-Q180 PolarHBondContact O-N 3.46Å; A178-Q180 VanDerWaalsContact C-N 3.34Å; Q180-E184 WeakPolarHBondContact O-CG 3.3Å; Q180-E184 PolarHBondContact O-N 3.03Å; Q180-E184 VanDerWaalsContact O-N 3.13Å
181	H	85.8	Confident	88	Confident	102 Å²	102	57.3 Å²	57.3	47%	0.472	32%	0.315	S	S	.	.	H	α-helix	trans	-68.8	-33.4	175.1	-72.1	170.5	0	0	0	113.1	E177 A178 E179 E184 N185	E177-H181 PolarHBondContact O-N 3.43Å; E177-H181 VanDerWaalsContact O-N 3.12Å; A178-H181 PolarHBondContact O-N 3.05Å; E179-H181 VanDerWaalsContact C-N 3.31Å; E179-H181 PolarHBondContact O-N 3.3Å; H181-E184 PolarHBondContact O-N 3.4Å; H181-N185 PolarHBondContact O-N 2.94Å; H181-N185 PolarHBondContact O-ND2 3.38Å
182	E	88.6	Confident	88.2	Confident	99 Å²	99	55.4 Å²	55.4	46%	0.463	31%	0.305	S	S	.	.	H	α-helix	trans	-63.4	-49.2	174.3	-175	175.7	-162.4	0	0	111.1	A178 E179 E184 N185 E186	A178-E182 PolarHBondContact O-N 2.87Å; E179-E182 WeakPolarHBondContact O-CB 3.39Å; E179-E182 PolarHBondContact O-N 2.99Å; E182-E184 VanDerWaalsContact C-N 3.29Å; E182-E184 PolarHBondContact O-N 3.1Å; E182-N185 PolarHBondContact O-N 3.32Å; E182-E186 PolarHBondContact O-N 3.41Å
183	I	88.8	Confident	88.6	Confident	2 Å²	2	52.9 Å²	52.9	1%	0.01	30%	0.296	C	S	.	.	H	α-helix	trans	-56.4	-42.9	175.1	-70	167	0	0	0	111.2	L171 R172 A174 E179 N185 E186 C187 L275	L171-I183 HydrophobicContact CB-CG2 4.4Å; L171-I183 HydrophobicContact CD1-CG2 3.92Å; L171-I183 HydrophobicContact CD2-CG2 4.4Å; L171-I183 HydrophobicContact CG-CG2 4.48Å; R172-I183 HydrophobicContact CG-CD1 3.78Å; R172-I183 HydrophobicContact CG-CG1 4.26Å; A174-I183 HydrophobicContact CB-CD1 4.05Å; E179-I183 HydrophobicContact CG-CD1 4.22Å; E179-I183 VanDerWaalsContact O-CG1 3.31Å; E179-I183 WeakPolarHBondContact O-CG1 3.46Å; E179-I183 PolarHBondContact O-N 3.45Å; I183-N185 PolarHBondContact O-N 3.08Å; I183-E186 PolarHBondContact O-N 2.92Å; I183-C187 PolarHBondContact O-N 3.38Å; I183-C187 PolarHBondContact O-SG 3.03Å; I183-L275 HydrophobicContact CB-CD1 4.31Å; I183-L275 HydrophobicContact CG1-CD1 4.31Å; I183-L275 HydrophobicContact CG2-CD1 3.87Å
184	E	89.1	Confident	89	Confident	16 Å²	16	48.7 Å²	48.7	8%	0.075	26%	0.262	C	S	.	.	H	α-helix	trans	-63.3	-40.5	176.5	-73.3	-179.7	-164.4	0	0	112.6	Q180 H181 E182 C187 L188 L223 R230	Q180-E184 WeakPolarHBondContact O-CG 3.3Å; Q180-E184 PolarHBondContact O-N 3.03Å; Q180-E184 VanDerWaalsContact O-N 3.13Å; H181-E184 PolarHBondContact O-N 3.4Å; E182-E184 VanDerWaalsContact C-N 3.29Å; E182-E184 PolarHBondContact O-N 3.1Å; E184-C187 WeakPolarHBondContact O-CB 3.42Å; E184-C187 PolarHBondContact O-N 3.08Å; E184-L188 WeakPolarHBondContact O-CG 3.44Å; E184-L188 PolarHBondContact O-N 2.97Å; E184-L188 VanDerWaalsContact O-N 3.14Å; E184-L223 HydrophobicContact CG-CD1 3.75Å; E184-R230 VanDerWaalsContact CD-NH2 3.31Å; E184-R230 IonicContact OE1-CZ 2.75Å; E184-R230 IonicContact OE1-NH1 2.73Å; E184-R230 IonicContact OE1-NH2 2.87Å; E184-R230 PolarHBondContact OE1-NH2 3.28Å; E184-R230 IonicContact OE2-CZ 3.02Å; E184-R230 IonicContact OE2-NH1 3.53Å; E184-R230 PolarHBondContact OE2-NH1 2.91Å; E184-R230 IonicContact OE2-NH2 3.08Å; E184-R230 PolarHBondContact OE2-NH2 3.34Å; E184-R230 VanDerWaalsContact OE2-NH2 3.15Å
185	N	89.6	Confident	89.4	Confident	101 Å²	101	47 Å²	47	54%	0.54	25%	0.247	S	C	.	.	H	α-helix	trans	-69.1	-40.4	177	-74.4	-25.2	0	0	0	111.7	H181 E182 I183 C187 L188 G189	H181-N185 PolarHBondContact O-N 2.94Å; H181-N185 PolarHBondContact O-ND2 3.38Å; E182-N185 PolarHBondContact O-N 3.32Å; I183-N185 PolarHBondContact O-N 3.08Å; N185-C187 VanDerWaalsContact C-N 3.32Å; N185-C187 PolarHBondContact O-N 3.14Å; N185-L188 WeakPolarHBondContact O-CB 3.42Å; N185-L188 PolarHBondContact O-N 3.35Å; N185-L188 VanDerWaalsContact O-N 3.15Å; N185-G189 PolarHBondContact O-N 2.96Å
186	E	91.4	Very high	89.8	Confident	61 Å²	61	39.8 Å²	39.8	29%	0.285	21%	0.213	S	C	.	.	H	α-helix	trans	-61.6	-40.6	173.6	-73.8	-173.5	-167.6	0	0	111.4	E182 I183 L188 G189 M190 L275	E182-E186 PolarHBondContact O-N 3.41Å; I183-E186 PolarHBondContact O-N 2.92Å; E186-L188 VanDerWaalsContact C-N 3.29Å; E186-L188 PolarHBondContact O-N 3.35Å; E186-G189 CarbonylContact O-C 3.56Å; E186-G189 WeakPolarHBondContact O-CA 3.38Å; E186-G189 PolarHBondContact O-N 2.94Å; E186-M190 WeakPolarHBondContact O-CG 3.48Å; E186-M190 PolarHBondContact O-N 3.01Å; E186-L275 HydrophobicContact CB-CD1 4.06Å; E186-L275 HydrophobicContact CB-CD2 4.37Å; E186-L275 WeakPolarHBondContact OE2-CD1 3.36Å
187	C	92.4	Very high	89.9	Confident	0 Å²	0	37.1 Å²	37.1	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-59.9	-38.6	173.2	-69	0	0	0	0	112.4	F164 I183 E184 N185 M190 A191 I219 L223	F164-C187 HydrophobicContact CZ-CB 4.2Å; I183-C187 PolarHBondContact O-N 3.38Å; I183-C187 PolarHBondContact O-SG 3.03Å; E184-C187 WeakPolarHBondContact O-CB 3.42Å; E184-C187 PolarHBondContact O-N 3.08Å; N185-C187 VanDerWaalsContact C-N 3.32Å; N185-C187 PolarHBondContact O-N 3.14Å; C187-M190 WeakPolarHBondContact O-CB 3.44Å; C187-M190 PolarHBondContact O-N 2.86Å; C187-A191 PolarHBondContact O-N 3.28Å; C187-A191 VanDerWaalsContact O-N 3.1Å; C187-I219 HydrophobicContact CB-CG2 4.5Å; C187-L223 HydrophobicContact CB-CD2 3.53Å
188	L	91.1	Very high	90.2	Very high	17 Å²	17	34.2 Å²	34.2	9%	0.089	18%	0.177	C	C	.	.	H	α-helix	trans	-68.8	-35.9	173.9	-66.9	170.9	0	0	0	111.8	E184 N185 E186 A191 V192 Y215 I238	E184-L188 WeakPolarHBondContact O-CG 3.44Å; E184-L188 PolarHBondContact O-N 2.97Å; E184-L188 VanDerWaalsContact O-N 3.14Å; N185-L188 WeakPolarHBondContact O-CB 3.42Å; N185-L188 PolarHBondContact O-N 3.35Å; N185-L188 VanDerWaalsContact O-N 3.15Å; E186-L188 VanDerWaalsContact C-N 3.29Å; E186-L188 PolarHBondContact O-N 3.35Å; L188-A191 WeakPolarHBondContact O-CB 3.5Å; L188-A191 PolarHBondContact O-N 2.65Å; L188-V192 PolarHBondContact O-N 3.25Å; L188-Y215 HydrophobicContact CD2-CD2 3.63Å; L188-Y215 HydrophobicContact CD2-CE2 4.01Å; L188-Y215 HydrophobicContact CD2-CG 3.94Å; L188-I238 HydrophobicContact CD1-CG2 4Å; L188-I238 HydrophobicContact CD2-CG2 4.19Å
189	G	91.9	Very high	90.3	Very high	16 Å²	16	30.8 Å²	30.8	17%	0.165	15%	0.149	C	C	.	.	H	α-helix	trans	-61.2	-43.8	171.7	0	0	0	0	0	112.3	N185 E186 A191 V192 L193	N185-G189 PolarHBondContact O-N 2.96Å; E186-G189 CarbonylContact O-C 3.56Å; E186-G189 WeakPolarHBondContact O-CA 3.38Å; E186-G189 PolarHBondContact O-N 2.94Å; G189-A191 VanDerWaalsContact C-N 3.31Å; G189-A191 PolarHBondContact O-N 2.84Å; G189-V192 WeakPolarHBondContact O-CB 3.4Å; G189-V192 PolarHBondContact O-N 3.29Å; G189-V192 VanDerWaalsContact O-N 3.08Å; G189-L193 PolarHBondContact O-N 3.37Å
190	M	93.4	Very high	90.3	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-58.4	-42	173	-68.8	-66.7	-83.8	0	0	111.7	F164 E186 C187 V192 L193 A194 Y268 T271 M272 L275	F164-M190 HydrophobicContact CE1-CB 4.04Å; F164-M190 HydrophobicContact CZ-CB 4.15Å; F164-M190 HydrophobicContact CZ-CG 4.32Å; E186-M190 WeakPolarHBondContact O-CG 3.48Å; E186-M190 PolarHBondContact O-N 3.01Å; C187-M190 WeakPolarHBondContact O-CB 3.44Å; C187-M190 PolarHBondContact O-N 2.86Å; M190-V192 VanDerWaalsContact C-N 3.32Å; M190-V192 PolarHBondContact O-N 3.42Å; M190-L193 PolarHBondContact O-N 3.15Å; M190-L193 HydrophobicContact SD-CD1 4.29Å; M190-A194 WeakPolarHBondContact O-CB 3.22Å; M190-A194 PolarHBondContact O-N 3.35Å; M190-Y268 HydrophobicContact CB-CD2 4.43Å; M190-Y268 HydrophobicContact CB-CE2 3.89Å; M190-Y268 HydrophobicContact CE-CD1 3.83Å; M190-Y268 HydrophobicContact CE-CD2 3.53Å; M190-Y268 HydrophobicContact CE-CE1 3.69Å; M190-Y268 HydrophobicContact CE-CE2 3.35Å; M190-Y268 HydrophobicContact CE-CG 3.74Å; M190-Y268 VanDerWaalsContact CE-CZ 3.41Å; M190-Y268 VanDerWaalsContact CE-O 3.24Å; M190-Y268 WeakPolarHBondContact CE-O 3.46Å; M190-Y268 HydrophobicContact CG-CE2 4.47Å; M190-Y268 WeakPolarHBondContact O-CE2 3.48Å; M190-Y268 HydrophobicContact SD-CD2 3.69Å; M190-Y268 HydrophobicContact SD-CE2 3.87Å; M190-Y268 HydrophobicContact SD-CG 4.19Å; M190-T271 HydrophobicContact CG-CG2 4.08Å; M190-T271 HydrophobicContact SD-CG2 3.52Å; M190-T271 VanDerWaalsContact SD-CG2 3.52Å; M190-M272 HydrophobicContact CE-CB 3.84Å; M190-M272 HydrophobicContact CE-CE 3.72Å; M190-M272 HydrophobicContact CE-CG 4.44Å; M190-L275 HydrophobicContact CG-CD2 4.18Å
191	A	92.8	Very high	90.2	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-64.3	-35.2	174.8	0	0	0	0	0	112.9	C187 L188 G189 I195 F218 I219 F242	C187-A191 PolarHBondContact O-N 3.28Å; C187-A191 VanDerWaalsContact O-N 3.1Å; L188-A191 WeakPolarHBondContact O-CB 3.5Å; L188-A191 PolarHBondContact O-N 2.65Å; G189-A191 VanDerWaalsContact C-N 3.31Å; G189-A191 PolarHBondContact O-N 2.84Å; A191-I195 WeakPolarHBondContact O-CB 3.17Å; A191-I195 WeakPolarHBondContact O-CG1 3.46Å; A191-I195 PolarHBondContact O-N 2.73Å; A191-F218 HydrophobicContact CB-CB 3.74Å; A191-I219 HydrophobicContact CB-CG2 3.95Å; A191-F242 HydrophobicContact CB-CE2 4.09Å
192	V	92.5	Very high	90.2	Very high	1 Å²	1	33.2 Å²	33.2	1%	0.006	16%	0.164	C	C	.	.	H	α-helix	trans	-64.5	-50	172.8	167.3	0	0	0	0	110.7	L188 G189 M190 A194 I195 T196 F242 F245 L246 F249	L188-V192 PolarHBondContact O-N 3.25Å; G189-V192 WeakPolarHBondContact O-CB 3.4Å; G189-V192 PolarHBondContact O-N 3.29Å; G189-V192 VanDerWaalsContact O-N 3.08Å; M190-V192 VanDerWaalsContact C-N 3.32Å; M190-V192 PolarHBondContact O-N 3.42Å; V192-A194 VanDerWaalsContact C-N 3.3Å; V192-A194 PolarHBondContact O-N 2.88Å; V192-I195 PolarHBondContact O-N 3.05Å; V192-T196 VanDerWaalsContact O-CB 3.31Å; V192-T196 WeakPolarHBondContact O-CB 3.49Å; V192-T196 PolarHBondContact O-N 3.15Å; V192-T196 PolarHBondContact O-OG1 3.25Å; V192-F242 HydrophobicContact CG2-CD2 3.87Å; V192-F242 HydrophobicContact CG2-CE2 3.45Å; V192-F242 VanDerWaalsContact CG2-CE2 3.45Å; V192-F242 HydrophobicContact CG2-CZ 4.3Å; V192-F245 HydrophobicContact CB-CD1 4.29Å; V192-F245 HydrophobicContact CG1-CD1 4.41Å; V192-F245 HydrophobicContact CG2-CD1 3.74Å; V192-F245 HydrophobicContact CG2-CE1 4.43Å; V192-L246 HydrophobicContact CB-CD1 4.37Å; V192-L246 HydrophobicContact CG1-CD1 3.9Å; V192-L246 HydrophobicContact CG2-CB 4.04Å; V192-L246 HydrophobicContact CG2-CD1 4.24Å; V192-F249 HydrophobicContact CG1-CB 4.01Å; V192-F249 HydrophobicContact CG1-CD1 3.62Å; V192-F249 HydrophobicContact CG1-CE1 4.31Å; V192-F249 HydrophobicContact CG1-CG 3.91Å
193	L	92.8	Very high	89.8	Confident	15 Å²	15	31.4 Å²	31.4	8%	0.079	17%	0.172	C	C	.	.	H	α-helix	trans	-55.7	-44.4	177.6	-67.8	174.8	0	0	0	112	G189 M190 H197 F249 L264 K267 Y268	G189-L193 PolarHBondContact O-N 3.37Å; M190-L193 PolarHBondContact O-N 3.15Å; M190-L193 HydrophobicContact SD-CD1 4.29Å; L193-H197 VanDerWaalsContact O-CB 3.28Å; L193-H197 WeakPolarHBondContact O-CB 3.19Å; L193-H197 PolarHBondContact O-N 2.82Å; L193-F249 HydrophobicContact CD2-CE1 4.15Å; L193-F249 HydrophobicContact CD2-CZ 3.79Å; L193-L264 HydrophobicContact CD2-CD2 3.91Å; L193-K267 HydrophobicContact CD1-CB 4.47Å; L193-K267 HydrophobicContact CD1-CG 3.98Å; L193-K267 HydrophobicContact CD2-CG 4.31Å; L193-Y268 HydrophobicContact CB-CD2 3.96Å; L193-Y268 HydrophobicContact CD1-CD2 4.37Å
194	A	91.8	Very high	89.7	Confident	2 Å²	2	33.8 Å²	33.8	2%	0.017	18%	0.184	C	C	.	.	H	α-helix	trans	-65.2	-45.2	178.8	0	0	0	0	0	113.1	M190 V192 Y198 F218 Y268	M190-A194 WeakPolarHBondContact O-CB 3.22Å; M190-A194 PolarHBondContact O-N 3.35Å; V192-A194 VanDerWaalsContact C-N 3.3Å; V192-A194 PolarHBondContact O-N 2.88Å; A194-Y198 WeakPolarHBondContact O-CB 3.36Å; A194-Y198 PolarHBondContact O-N 3.36Å; A194-F218 HydrophobicContact CB-CB 4.41Å; A194-F218 HydrophobicContact CB-CD1 3.7Å; A194-F218 HydrophobicContact CB-CE1 4.36Å; A194-F218 HydrophobicContact CB-CG 4.34Å; A194-Y268 HydrophobicContact CB-CE2 4.25Å
195	I	91.4	Very high	89.3	Confident	0 Å²	0	37 Å²	37	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-68.5	-41.6	179.5	-75.5	165.5	0	0	0	111.2	A191 V192 Y198 A199 M213 F218 F242 L246	A191-I195 WeakPolarHBondContact O-CB 3.17Å; A191-I195 WeakPolarHBondContact O-CG1 3.46Å; A191-I195 PolarHBondContact O-N 2.73Å; V192-I195 PolarHBondContact O-N 3.05Å; I195-Y198 PolarHBondContact O-N 2.9Å; I195-A199 WeakPolarHBondContact O-CB 3.13Å; I195-A199 PolarHBondContact O-N 3.22Å; I195-M213 HydrophobicContact CD1-CB 4.16Å; I195-M213 HydrophobicContact CG1-CB 4.42Å; I195-M213 HydrophobicContact CG1-CE 4.04Å; I195-M213 HydrophobicContact CG1-SD 4.47Å; I195-M213 HydrophobicContact CG2-CB 4.18Å; I195-M213 HydrophobicContact CG2-CE 4.37Å; I195-M213 HydrophobicContact CG2-SD 3.75Å; I195-F218 HydrophobicContact CD1-CD2 3.59Å; I195-F218 HydrophobicContact CD1-CE2 3.75Å; I195-F218 HydrophobicContact CD1-CG 4.33Å; I195-F218 HydrophobicContact CG1-CD1 4.45Å; I195-F218 HydrophobicContact CG1-CD2 3.62Å; I195-F218 HydrophobicContact CG1-CE1 4.33Å; I195-F218 HydrophobicContact CG1-CE2 3.48Å; I195-F218 VanDerWaalsContact CG1-CE2 3.48Å; I195-F218 HydrophobicContact CG1-CG 4.11Å; I195-F218 HydrophobicContact CG1-CZ 3.86Å; I195-F242 HydrophobicContact CD1-CE1 4.35Å; I195-F242 HydrophobicContact CD1-CE2 4.36Å; I195-F242 HydrophobicContact CD1-CZ 3.54Å; I195-L246 HydrophobicContact CB-CD1 4.48Å; I195-L246 HydrophobicContact CG2-CD1 4.03Å; I195-L246 HydrophobicContact CG2-CD2 3.96Å
196	T	90.6	Very high	88.9	Confident	0 Å²	0	35.1 Å²	35.1	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-64.3	-42.2	177.1	-63.7	0	0	0	0	111.5	V192 A199 K200 F249 N250 V254 L264	V192-T196 VanDerWaalsContact O-CB 3.31Å; V192-T196 WeakPolarHBondContact O-CB 3.49Å; V192-T196 PolarHBondContact O-N 3.15Å; V192-T196 PolarHBondContact O-OG1 3.25Å; T196-A199 PolarHBondContact O-N 3.25Å; T196-K200 WeakPolarHBondContact O-CB 3.38Å; T196-K200 PolarHBondContact O-N 3.15Å; T196-F249 HydrophobicContact CG2-CD1 4.27Å; T196-F249 HydrophobicContact CG2-CE1 4.04Å; T196-N250 WeakPolarHBondContact CB-OD1 3.12Å; T196-N250 WeakPolarHBondContact CG2-OD1 3.32Å; T196-N250 PolarHBondContact OG1-OD1 3.44Å; T196-V254 HydrophobicContact CG2-CG2 3.93Å; T196-L264 HydrophobicContact CG2-CD1 3.96Å
197	H	91.4	Very high	88	Confident	5 Å²	5	35.7 Å²	35.7	2%	0.023	20%	0.204	C	C	.	.	H	α-helix	trans	-58.3	-53.5	172.7	175.8	-84.6	0	0	0	111.1	Y157 L193 A199 K200 D201 L264 K265	Y157-H197 AromaticContact CE1-CE1 3.76Å; Y157-H197 AromaticContact CE1-ND1 3.69Å; Y157-H197 AromaticContact CZ-CG 3.88Å; Y157-H197 AromaticContact CZ-ND1 3.92Å; Y157-H197 VanDerWaalsContact OH-CB 3.32Å; Y157-H197 WeakPolarHBondContact OH-CB 3.29Å; Y157-H197 VanDerWaalsContact OH-CG 3.31Å; L193-H197 VanDerWaalsContact O-CB 3.28Å; L193-H197 WeakPolarHBondContact O-CB 3.19Å; L193-H197 PolarHBondContact O-N 2.82Å; H197-A199 VanDerWaalsContact C-N 3.34Å; H197-A199 PolarHBondContact O-N 3.28Å; H197-K200 PolarHBondContact O-N 3.48Å; H197-K200 VanDerWaalsContact O-N 3.15Å; H197-D201 WeakPolarHBondContact O-CB 3.23Å; H197-D201 PolarHBondContact O-N 2.98Å; H197-L264 HydrophobicContact CB-CB 4.49Å; H197-L264 HydrophobicContact CB-CD1 4.24Å; H197-K265 WeakPolarHBondContact NE2-CE 3.38Å
198	Y	88.6	Confident	87.2	Confident	105 Å²	105	37.1 Å²	37.1	41%	0.412	22%	0.216	S	C	.	.	H	α-helix	trans	-57.2	-43.7	179	177.9	-92.7	0	0	0	112.8	A194 I195 K200 D201 I202 I204 M213	A194-Y198 WeakPolarHBondContact O-CB 3.36Å; A194-Y198 PolarHBondContact O-N 3.36Å; I195-Y198 PolarHBondContact O-N 2.9Å; Y198-K200 VanDerWaalsContact C-N 3.34Å; Y198-K200 PolarHBondContact O-N 3.44Å; Y198-D201 PolarHBondContact O-N 3.4Å; Y198-I202 HydrophobicContact CD1-CD1 4.24Å; Y198-I202 HydrophobicContact CD2-CD1 3.68Å; Y198-I202 HydrophobicContact CE1-CD1 3.75Å; Y198-I202 HydrophobicContact CE2-CD1 3.14Å; Y198-I202 HydrophobicContact CE2-CG1 4.5Å; Y198-I202 HydrophobicContact CG-CD1 4.21Å; Y198-I202 PolarHBondContact O-N 2.82Å; Y198-I202 VanDerWaalsContact O-N 3.14Å; Y198-I202 WeakPolarHBondContact OH-CD1 3.19Å; Y198-I204 HydrophobicContact CD1-CD1 4.39Å; Y198-I204 HydrophobicContact CE1-CD1 3.86Å; Y198-M213 HydrophobicContact CD1-CE 3.54Å; Y198-M213 HydrophobicContact CD1-SD 3.9Å; Y198-M213 HydrophobicContact CE1-CE 3.85Å; Y198-M213 HydrophobicContact CE1-SD 4.24Å; Y198-M213 HydrophobicContact CG-CE 4.27Å
199	A	88.3	Confident	86.4	Confident	0 Å²	0	36.4 Å²	36.4	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-64.3	-39.9	178.4	0	0	0	0	0	111.9	I195 T196 H197 G203 I204 F206 A209	I195-A199 WeakPolarHBondContact O-CB 3.13Å; I195-A199 PolarHBondContact O-N 3.22Å; T196-A199 PolarHBondContact O-N 3.25Å; H197-A199 VanDerWaalsContact C-N 3.34Å; H197-A199 PolarHBondContact O-N 3.28Å; A199-G203 CarbonylContact O-C 3.6Å; A199-G203 PolarHBondContact O-N 2.78Å; A199-G203 VanDerWaalsContact O-N 3.08Å; A199-I204 HydrophobicContact CB-CB 4.33Å; A199-I204 PolarHBondContact O-N 3.09Å; A199-F206 HydrophobicContact CB-CD1 4.25Å; A199-F206 HydrophobicContact CB-CE1 4.42Å; A199-A209 HydrophobicContact CB-CB 3.83Å
200	K	87.6	Confident	85.5	Confident	80 Å²	80	36.5 Å²	36.5	35%	0.348	21%	0.211	S	C	.	.	H	α-helix	trans	-71.2	-39.9	178.8	-171.8	167.8	178.4	148.7	0	112.4	T196 H197 Y198 G203 F206 I259	T196-K200 WeakPolarHBondContact O-CB 3.38Å; T196-K200 PolarHBondContact O-N 3.15Å; H197-K200 PolarHBondContact O-N 3.48Å; H197-K200 VanDerWaalsContact O-N 3.15Å; Y198-K200 VanDerWaalsContact C-N 3.34Å; Y198-K200 PolarHBondContact O-N 3.44Å; K200-G203 PolarHBondContact O-N 2.73Å; K200-F206 HydrophobicContact CB-CE1 4.41Å; K200-I259 PolarHBondContact NZ-O 2.86Å
201	D	85	Confident	84.4	Confident	87 Å²	87	45.7 Å²	45.7	47%	0.465	25%	0.246	S	C	.	.	H	α-helix	trans	-65.4	-43	-179.3	-167.5	58.6	0	0	0	112.4	H197 Y198	H197-D201 WeakPolarHBondContact O-CB 3.23Å; H197-D201 PolarHBondContact O-N 2.98Å; Y198-D201 PolarHBondContact O-N 3.4Å
202	I	84.6	Confident	83.5	Confident	90 Å²	90	53.8 Å²	53.8	46%	0.462	28%	0.283	S	S	.	.	H	α-helix	trans	-88.5	-7.1	179.6	-63.7	168.7	0	0	0	112.4	Y198 I204	Y198-I202 HydrophobicContact CD1-CD1 4.24Å; Y198-I202 HydrophobicContact CD2-CD1 3.68Å; Y198-I202 HydrophobicContact CE1-CD1 3.75Å; Y198-I202 HydrophobicContact CE2-CD1 3.14Å; Y198-I202 HydrophobicContact CE2-CG1 4.5Å; Y198-I202 HydrophobicContact CG-CD1 4.21Å; Y198-I202 PolarHBondContact O-N 2.82Å; Y198-I202 VanDerWaalsContact O-N 3.14Å; Y198-I202 WeakPolarHBondContact OH-CD1 3.19Å; I202-I204 HydrophobicContact CB-CD1 4.43Å; I202-I204 HydrophobicContact CB-CG1 4.27Å; I202-I204 HydrophobicContact CG2-CD1 4.16Å; I202-I204 HydrophobicContact CG2-CG1 3.95Å
203	G	81.7	Confident	83	Confident	62 Å²	62	55.4 Å²	55.4	64%	0.639	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.1	28.8	-179.5	0	0	0	0	0	114.4	A199 K200	A199-G203 CarbonylContact O-C 3.6Å; A199-G203 PolarHBondContact O-N 2.78Å; A199-G203 VanDerWaalsContact O-N 3.08Å; K200-G203 PolarHBondContact O-N 2.73Å
204	I	85	Confident	82.6	Confident	51 Å²	51	57.2 Å²	57.2	26%	0.262	31%	0.305	S	S	.	.			trans	-77.2	130.4	175.9	-58.4	175.9	0	0	0	109.4	Y198 A199 I202 F206 A208 A209	Y198-I204 HydrophobicContact CD1-CD1 4.39Å; Y198-I204 HydrophobicContact CE1-CD1 3.86Å; A199-I204 HydrophobicContact CB-CB 4.33Å; A199-I204 PolarHBondContact O-N 3.09Å; I202-I204 HydrophobicContact CB-CD1 4.43Å; I202-I204 HydrophobicContact CB-CG1 4.27Å; I202-I204 HydrophobicContact CG2-CD1 4.16Å; I202-I204 HydrophobicContact CG2-CG1 3.95Å; I204-F206 PolarHBondContact O-N 3.37Å; I204-A208 HydrophobicContact CG2-CB 4.12Å; I204-A209 HydrophobicContact CG2-CB 4.47Å
205	P	81.6	Confident	82.5	Confident	85 Å²	85	57.2 Å²	57.2	55%	0.552	31%	0.305	S	S	*	.			trans	-56.8	131.3	174	-24.4	33.4	0	0	0	111.7	S207 A208 A209	P205-S207 PolarHBondContact O-N 2.99Å; P205-A208 WeakPolarHBondContact O-CB 3.43Å; P205-A208 PolarHBondContact O-N 3.27Å; P205-A209 PolarHBondContact O-N 3.39Å
206	F	80.6	Confident	82.3	Confident	60 Å²	60	62 Å²	62	26%	0.263	33%	0.326	S	S	.	.	H	α-helix	trans	-56.7	-28.5	-176.8	-61.7	-38.2	0	0	0	113.8	A199 K200 I204 A208 S210 N250 V254	A199-F206 HydrophobicContact CB-CD1 4.25Å; A199-F206 HydrophobicContact CB-CE1 4.42Å; K200-F206 HydrophobicContact CB-CE1 4.41Å; I204-F206 PolarHBondContact O-N 3.37Å; F206-A208 VanDerWaalsContact C-N 3.3Å; F206-A208 PolarHBondContact O-N 3.16Å; F206-S210 PolarHBondContact O-N 2.89Å; F206-S210 VanDerWaalsContact O-N 3.16Å; F206-S210 PolarHBondContact O-OG 2.92Å; F206-S210 VanDerWaalsContact O-OG 3.08Å; F206-N250 HydrophobicContact CB-CB 3.77Å; F206-N250 HydrophobicContact CD1-CB 4.38Å; F206-N250 HydrophobicContact CD2-CB 4.04Å; F206-N250 HydrophobicContact CG-CB 3.82Å; F206-V254 HydrophobicContact CE2-CG1 4.21Å; F206-V254 HydrophobicContact CZ-CG1 4Å
207	S	72.6	Confident	82.1	Confident	73 Å²	73	71.9 Å²	71.9	51%	0.51	36%	0.363	S	S	.	.	H	α-helix	trans	-69	-24.5	175.9	64	0	0	0	0	114	P205 R211	P205-S207 PolarHBondContact O-N 2.99Å; S207-R211 WeakPolarHBondContact O-CG 3.41Å; S207-R211 PolarHBondContact O-NE 2.85Å; S207-R211 VanDerWaalsContact O-NE 3.14Å
208	A	75.5	Confident	82	Confident	30 Å²	30	73.2 Å²	73.2	25%	0.248	37%	0.369	C	S	.	.	H	α-helix	trans	-84.5	-44.2	174.3	0	0	0	0	0	111.1	I204 P205 F206 S210 R211 E212	I204-A208 HydrophobicContact CG2-CB 4.12Å; P205-A208 WeakPolarHBondContact O-CB 3.43Å; P205-A208 PolarHBondContact O-N 3.27Å; F206-A208 VanDerWaalsContact C-N 3.3Å; F206-A208 PolarHBondContact O-N 3.16Å; A208-S210 VanDerWaalsContact C-N 3.28Å; A208-S210 PolarHBondContact O-N 2.99Å; A208-R211 PolarHBondContact O-N 3.36Å; A208-E212 PolarHBondContact O-N 3.08Å; A208-E212 VanDerWaalsContact O-N 3.08Å
209	A	74.9	Confident	82.2	Confident	2 Å²	2	68.4 Å²	68.4	2%	0.017	35%	0.35	C	S	.	.	H	α-helix	trans	-55	-43.1	175.8	0	0	0	0	0	112	A199 I204 P205 R211 M213	A199-A209 HydrophobicContact CB-CB 3.83Å; I204-A209 HydrophobicContact CG2-CB 4.47Å; P205-A209 PolarHBondContact O-N 3.39Å; A209-R211 VanDerWaalsContact C-N 3.27Å; A209-R211 PolarHBondContact O-N 2.93Å; A209-M213 HydrophobicContact CB-SD 4.33Å; A209-M213 WeakPolarHBondContact O-CB 3.42Å; A209-M213 PolarHBondContact O-N 2.67Å; A209-M213 VanDerWaalsContact O-N 3.1Å
210	S	72.9	Confident	82.3	Confident	18 Å²	18	68.6 Å²	68.6	13%	0.126	35%	0.351	C	S	.	.	H	α-helix	trans	-67	-19.8	178.2	-61.2	0	0	0	0	115.1	F206 A208	F206-S210 PolarHBondContact O-N 2.89Å; F206-S210 VanDerWaalsContact O-N 3.16Å; F206-S210 PolarHBondContact O-OG 2.92Å; F206-S210 VanDerWaalsContact O-OG 3.08Å; A208-S210 VanDerWaalsContact C-N 3.28Å; A208-S210 PolarHBondContact O-N 2.99Å
211	R	70.1	Confident	82.4	Confident	193 Å²	193	71.1 Å²	71.1	73%	0.728	36%	0.364	S	S	*	.	H	α-helix	trans	-93.2	-39.7	179.3	-68.1	-178.4	-141.9	-171	1.1	112.5	S207 A208 A209	S207-R211 WeakPolarHBondContact O-CG 3.41Å; S207-R211 PolarHBondContact O-NE 2.85Å; S207-R211 VanDerWaalsContact O-NE 3.14Å; A208-R211 PolarHBondContact O-N 3.36Å; A209-R211 VanDerWaalsContact C-N 3.27Å; A209-R211 PolarHBondContact O-N 2.93Å
212	E	74.8	Confident	82.6	Confident	170 Å²	170	70.3 Å²	70.3	79%	0.794	37%	0.365	S	S	*	.	H	α-helix	trans	-98.7	-28.2	-167.9	-62.5	-170.4	172.6	0	0	113.8	A208	A208-E212 PolarHBondContact O-N 3.08Å; A208-E212 VanDerWaalsContact O-N 3.08Å
213	M	80.3	Confident	82.7	Confident	35 Å²	35	66.2 Å²	66.2	17%	0.172	35%	0.345	C	S	.	.			trans	-89.8	138.8	-175.2	-59.3	-171.3	76.4	0	0	112.3	I195 Y198 A209 F218	I195-M213 HydrophobicContact CD1-CB 4.16Å; I195-M213 HydrophobicContact CG1-CB 4.42Å; I195-M213 HydrophobicContact CG1-CE 4.04Å; I195-M213 HydrophobicContact CG1-SD 4.47Å; I195-M213 HydrophobicContact CG2-CB 4.18Å; I195-M213 HydrophobicContact CG2-CE 4.37Å; I195-M213 HydrophobicContact CG2-SD 3.75Å; Y198-M213 HydrophobicContact CD1-CE 3.54Å; Y198-M213 HydrophobicContact CD1-SD 3.9Å; Y198-M213 HydrophobicContact CE1-CE 3.85Å; Y198-M213 HydrophobicContact CE1-SD 4.24Å; Y198-M213 HydrophobicContact CG-CE 4.27Å; A209-M213 HydrophobicContact CB-SD 4.33Å; A209-M213 WeakPolarHBondContact O-CB 3.42Å; A209-M213 PolarHBondContact O-N 2.67Å; A209-M213 VanDerWaalsContact O-N 3.1Å; M213-F218 HydrophobicContact CE-CE2 3.95Å; M213-F218 HydrophobicContact CE-CZ 3.67Å
214	S	85.8	Confident	83.1	Confident	53 Å²	53	64.1 Å²	64.1	37%	0.371	32%	0.319	S	S	.	.			trans	-110.7	133.9	178	-174.5	0	0	0	0	110.6	K216	S214-K216 PolarHBondContact O-N 2.73Å
215	Y	88.6	Confident	83.3	Confident	3 Å²	3	64.3 Å²	64.3	1%	0.012	32%	0.324	C	S	.	.	G	3₁₀ helix	trans	-57.4	-21.4	175.2	69.5	-93	0	0	0	114	L188 R217 F218 I219 I227 I238 F242	L188-Y215 HydrophobicContact CD2-CD2 3.63Å; L188-Y215 HydrophobicContact CD2-CE2 4.01Å; L188-Y215 HydrophobicContact CD2-CG 3.94Å; Y215-R217 PolarHBondContact O-N 3.35Å; Y215-F218 PolarHBondContact O-N 3.04Å; Y215-I219 HydrophobicContact CD2-CD1 3.8Å; Y215-I219 HydrophobicContact CD2-CG1 4.3Å; Y215-I219 HydrophobicContact CD2-CG2 4.22Å; Y215-I219 HydrophobicContact CE2-CD1 3.84Å; Y215-I219 PolarHBondContact O-N 3.29Å; Y215-I227 HydrophobicContact CE2-CD1 4.09Å; Y215-I238 HydrophobicContact CE1-CG2 4.24Å; Y215-I238 HydrophobicContact CE2-CG2 4.26Å; Y215-I238 WeakPolarHBondContact OH-CG2 3.29Å; Y215-F242 HydrophobicContact CD1-CB 4.01Å; Y215-F242 AromaticContact CD1-CD1 3.81Å; Y215-F242 HydrophobicContact CD1-CD1 3.81Å; Y215-F242 HydrophobicContact CD1-CD2 4.4Å; Y215-F242 HydrophobicContact CD1-CE1 4.46Å; Y215-F242 AromaticContact CD1-CG 3.78Å; Y215-F242 HydrophobicContact CD1-CG 3.78Å; Y215-F242 HydrophobicContact CG-CD1 4.36Å; Y215-F242 HydrophobicContact CG-CD2 4.29Å; Y215-F242 HydrophobicContact CG-CG 4.13Å
216	K	88.2	Confident	83.5	Confident	101 Å²	101	63.7 Å²	63.7	44%	0.439	32%	0.316	S	S	.	.	G	3₁₀ helix	trans	-60.5	-19.7	-171.9	-65.8	177.5	-176.6	175.9	0	115	S214 N224	S214-K216 PolarHBondContact O-N 2.73Å; K216-N224 PolarHBondContact O-ND2 3.02Å
217	R	86	Confident	83.8	Confident	206 Å²	206	61.1 Å²	61.1	78%	0.777	31%	0.305	S	S	*	.	G	3₁₀ helix	trans	-94.9	-6.2	177.2	-67.3	-175.8	178.8	178	-1.7	113.3	Q165 Y215	Q165-R217 PolarHBondContact NE2-O 3.04Å; Q165-R217 PolarHBondContact OE1-O 3.34Å; Y215-R217 PolarHBondContact O-N 3.35Å
218	F	89.9	Confident	84.6	Confident	34 Å²	34	63.6 Å²	63.6	15%	0.149	31%	0.306	C	S	.	.	S	Bend	trans	-119.9	9.2	-173.4	-59	-85.2	0	0	0	112.6	A191 A194 I195 M213 Y215	A191-F218 HydrophobicContact CB-CB 3.74Å; A194-F218 HydrophobicContact CB-CB 4.41Å; A194-F218 HydrophobicContact CB-CD1 3.7Å; A194-F218 HydrophobicContact CB-CE1 4.36Å; A194-F218 HydrophobicContact CB-CG 4.34Å; I195-F218 HydrophobicContact CD1-CD2 3.59Å; I195-F218 HydrophobicContact CD1-CE2 3.75Å; I195-F218 HydrophobicContact CD1-CG 4.33Å; I195-F218 HydrophobicContact CG1-CD1 4.45Å; I195-F218 HydrophobicContact CG1-CD2 3.62Å; I195-F218 HydrophobicContact CG1-CE1 4.33Å; I195-F218 HydrophobicContact CG1-CE2 3.48Å; I195-F218 VanDerWaalsContact CG1-CE2 3.48Å; I195-F218 HydrophobicContact CG1-CG 4.11Å; I195-F218 HydrophobicContact CG1-CZ 3.86Å; M213-F218 HydrophobicContact CE-CE2 3.95Å; M213-F218 HydrophobicContact CE-CZ 3.67Å; Y215-F218 PolarHBondContact O-N 3.04Å
219	I	91.6	Very high	85.3	Confident	3 Å²	3	69.5 Å²	69.5	2%	0.015	33%	0.329	C	S	.	.	S	Bend	trans	-116.1	161.2	174.1	60.5	164.2	0	0	0	109.5	C187 A191 Y215 L223 N224 I227	C187-I219 HydrophobicContact CB-CG2 4.5Å; A191-I219 HydrophobicContact CB-CG2 3.95Å; Y215-I219 HydrophobicContact CD2-CD1 3.8Å; Y215-I219 HydrophobicContact CD2-CG1 4.3Å; Y215-I219 HydrophobicContact CD2-CG2 4.22Å; Y215-I219 HydrophobicContact CE2-CD1 3.84Å; Y215-I219 PolarHBondContact O-N 3.29Å; I219-L223 HydrophobicContact CD1-CD2 4.43Å; I219-L223 HydrophobicContact CD1-CG 4.26Å; I219-N224 HydrophobicContact CD1-CB 3.92Å; I219-N224 HydrophobicContact CG1-CB 4.18Å; I219-I227 HydrophobicContact CD1-CD1 3.86Å
220	P	91.8	Very high	86	Confident	4 Å²	4	72.5 Å²	72.5	3%	0.026	34%	0.34	C	S	.	.			trans	-58.9	141.8	179.1	-23.8	35.7	0	0	0	112.1	F164 L171 S222 L223 N224	F164-P220 HydrophobicContact CD1-CG 4.31Å; F164-P220 HydrophobicContact CD2-CG 4.03Å; F164-P220 HydrophobicContact CE1-CG 3.96Å; F164-P220 HydrophobicContact CE2-CG 3.64Å; F164-P220 HydrophobicContact CG-CG 4.36Å; F164-P220 VanDerWaalsContact CZ-CD 3.49Å; F164-P220 HydrophobicContact CZ-CG 3.61Å; F164-P220 WeakPolarHBondContact O-CA 3.48Å; F164-P220 WeakPolarHBondContact O-CB 3.32Å; F164-P220 WeakPolarHBondContact O-CG 3.1Å; L171-P220 HydrophobicContact CD1-CG 4.37Å; L171-P220 HydrophobicContact CD2-CG 4.41Å; P220-S222 PolarHBondContact O-N 3.21Å; P220-L223 HydrophobicContact CB-CB 4.41Å; P220-L223 PolarHBondContact O-N 3.39Å; P220-L223 VanDerWaalsContact O-N 3.13Å; P220-N224 PolarHBondContact O-N 3.42Å
221	E	89.6	Confident	86.9	Confident	133 Å²	133	76.1 Å²	76.1	62%	0.621	36%	0.358	S	S	*	.	H	α-helix	trans	-59.2	-35.3	179.5	-77.1	-173.9	174.8	0	0	112.9	Q165 N224 S225	Q165-E221 WeakPolarHBondContact O-CG 3.41Å; Q165-E221 PolarHBondContact O-N 3.27Å; E221-N224 PolarHBondContact O-N 3.36Å; E221-S225 WeakPolarHBondContact O-CB 3.03Å; E221-S225 PolarHBondContact O-N 2.86Å
222	S	87.6	Confident	87.9	Confident	70 Å²	70	72 Å²	72	49%	0.49	35%	0.349	S	S	.	.	H	α-helix	trans	-58.5	-50.4	173.8	56.8	0	0	0	0	111.6	P220 S225 I226	P220-S222 PolarHBondContact O-N 3.21Å; S222-S225 WeakPolarHBondContact O-CB 3.34Å; S222-S225 PolarHBondContact O-N 3.43Å; S222-I226 WeakPolarHBondContact O-CG1 3.42Å; S222-I226 PolarHBondContact O-N 3.2Å
223	L	88.1	Confident	88.6	Confident	5 Å²	5	70 Å²	70	3%	0.026	34%	0.343	C	S	.	.	H	α-helix	trans	-65.8	-40.9	177.1	178.6	57.9	0	0	0	111.7	E184 C187 I219 P220 S225 I226 I227	E184-L223 HydrophobicContact CG-CD1 3.75Å; C187-L223 HydrophobicContact CB-CD2 3.53Å; I219-L223 HydrophobicContact CD1-CD2 4.43Å; I219-L223 HydrophobicContact CD1-CG 4.26Å; P220-L223 HydrophobicContact CB-CB 4.41Å; P220-L223 PolarHBondContact O-N 3.39Å; P220-L223 VanDerWaalsContact O-N 3.13Å; L223-S225 VanDerWaalsContact C-N 3.28Å; L223-S225 PolarHBondContact O-N 3.26Å; L223-I226 PolarHBondContact O-N 2.93Å; L223-I227 HydrophobicContact CD1-CD1 4.06Å; L223-I227 HydrophobicContact CD1-CG1 4.13Å; L223-I227 HydrophobicContact CG-CD1 3.91Å; L223-I227 HydrophobicContact CG-CG1 4.41Å; L223-I227 WeakPolarHBondContact O-CG1 3.41Å; L223-I227 PolarHBondContact O-N 3.34Å
224	N	90.1	Very high	88.9	Confident	18 Å²	18	69.9 Å²	69.9	10%	0.096	34%	0.344	C	S	.	.	H	α-helix	trans	-60.9	-39.8	176.1	-169.3	8.8	0	0	0	111.5	K216 I219 P220 E221 I227 K228	K216-N224 PolarHBondContact O-ND2 3.02Å; I219-N224 HydrophobicContact CD1-CB 3.92Å; I219-N224 HydrophobicContact CG1-CB 4.18Å; P220-N224 PolarHBondContact O-N 3.42Å; E221-N224 PolarHBondContact O-N 3.36Å; N224-I227 PolarHBondContact O-N 3.26Å; N224-K228 VanDerWaalsContact O-CG 3.26Å; N224-K228 WeakPolarHBondContact O-CG 3.28Å; N224-K228 PolarHBondContact O-N 3.11Å; N224-K228 WeakPolarHBondContact OD1-CE 3.42Å
225	S	87.9	Confident	89.1	Confident	54 Å²	54	71.6 Å²	71.6	38%	0.378	34%	0.343	S	S	.	.	H	α-helix	trans	-62.2	-46.8	173.9	-167.3	0	0	0	0	111.5	E221 S222 L223 I227 K228 Q229	E221-S225 WeakPolarHBondContact O-CB 3.03Å; E221-S225 PolarHBondContact O-N 2.86Å; S222-S225 WeakPolarHBondContact O-CB 3.34Å; S222-S225 PolarHBondContact O-N 3.43Å; L223-S225 VanDerWaalsContact C-N 3.28Å; L223-S225 PolarHBondContact O-N 3.26Å; S225-I227 PolarHBondContact O-N 2.96Å; S225-K228 WeakPolarHBondContact O-CB 3.32Å; S225-K228 PolarHBondContact O-N 3.33Å; S225-Q229 WeakPolarHBondContact O-CG 3.4Å; S225-Q229 PolarHBondContact O-N 2.64Å; S225-Q229 VanDerWaalsContact O-N 3.16Å
226	I	87.1	Confident	89.1	Confident	72 Å²	72	75.6 Å²	75.6	37%	0.369	36%	0.363	S	S	.	.	H	α-helix	trans	-58.3	-47.5	175.7	-67.1	164.6	0	0	0	110.8	S222 L223 K228 Q229 R230	S222-I226 WeakPolarHBondContact O-CG1 3.42Å; S222-I226 PolarHBondContact O-N 3.2Å; L223-I226 PolarHBondContact O-N 2.93Å; I226-K228 VanDerWaalsContact C-N 3.31Å; I226-K228 PolarHBondContact O-N 3.14Å; I226-Q229 PolarHBondContact O-N 2.74Å; I226-Q229 VanDerWaalsContact O-N 3.14Å; I226-R230 PolarHBondContact O-N 2.91Å
227	I	87.2	Confident	89.1	Confident	7 Å²	7	78.2 Å²	78.2	4%	0.036	37%	0.37	C	S	.	.	H	α-helix	trans	-63.2	-38.2	179.5	-67.5	170.1	0	0	0	111.2	Y215 I219 L223 N224 S225 Q229 R230 R235 I238	Y215-I227 HydrophobicContact CE2-CD1 4.09Å; I219-I227 HydrophobicContact CD1-CD1 3.86Å; L223-I227 HydrophobicContact CD1-CD1 4.06Å; L223-I227 HydrophobicContact CD1-CG1 4.13Å; L223-I227 HydrophobicContact CG-CD1 3.91Å; L223-I227 HydrophobicContact CG-CG1 4.41Å; L223-I227 WeakPolarHBondContact O-CG1 3.41Å; L223-I227 PolarHBondContact O-N 3.34Å; N224-I227 PolarHBondContact O-N 3.26Å; S225-I227 PolarHBondContact O-N 2.96Å; I227-Q229 VanDerWaalsContact C-N 3.26Å; I227-Q229 PolarHBondContact O-N 3.48Å; I227-R230 PolarHBondContact O-N 2.87Å; I227-R235 HydrophobicContact CG2-CG 4.26Å; I227-R235 VanDerWaalsContact O-CD 3.22Å; I227-R235 WeakPolarHBondContact O-CD 3.33Å; I227-R235 VanDerWaalsContact O-CG 3.29Å; I227-R235 WeakPolarHBondContact O-CG 3.39Å; I227-I238 HydrophobicContact CG1-CD1 4.32Å; I227-I238 HydrophobicContact CG2-CD1 4.24Å
228	K	88.5	Confident	89.2	Confident	124 Å²	124	69 Å²	69	54%	0.539	34%	0.337	S	S	.	.	H	α-helix	trans	-61.3	-35.6	176	-76.6	169.4	-175.5	170.9	0	111.9	N224 S225 I226 R230 R235	N224-K228 VanDerWaalsContact O-CG 3.26Å; N224-K228 WeakPolarHBondContact O-CG 3.28Å; N224-K228 PolarHBondContact O-N 3.11Å; N224-K228 WeakPolarHBondContact OD1-CE 3.42Å; S225-K228 WeakPolarHBondContact O-CB 3.32Å; S225-K228 PolarHBondContact O-N 3.33Å; I226-K228 VanDerWaalsContact C-N 3.31Å; I226-K228 PolarHBondContact O-N 3.14Å; K228-R230 VanDerWaalsContact C-N 3.35Å; K228-R235 PolarHBondContact O-NH1 3.08Å
229	Q	89.6	Confident	89.1	Confident	155 Å²	155	69 Å²	69	72%	0.724	34%	0.341	S	S	*	.	H	α-helix	trans	-75.9	-17.7	179.3	-65.6	173.8	9.7	0	0	113.8	S225 I226 I227	S225-Q229 WeakPolarHBondContact O-CG 3.4Å; S225-Q229 PolarHBondContact O-N 2.64Å; S225-Q229 VanDerWaalsContact O-N 3.16Å; I226-Q229 PolarHBondContact O-N 2.74Å; I226-Q229 VanDerWaalsContact O-N 3.14Å; I227-Q229 VanDerWaalsContact C-N 3.26Å; I227-Q229 PolarHBondContact O-N 3.48Å
230	R	90.6	Very high	88.9	Confident	64 Å²	64	73.4 Å²	73.4	24%	0.242	37%	0.365	C	S	.	.	S	Bend	trans	-70.4	161.7	178.1	-68.1	-179.4	178.7	-179.6	-0.5	113	E184 I226 I227 K228 T234 R235	E184-R230 VanDerWaalsContact CD-NH2 3.31Å; E184-R230 IonicContact OE1-CZ 2.75Å; E184-R230 IonicContact OE1-NH1 2.73Å; E184-R230 IonicContact OE1-NH2 2.87Å; E184-R230 PolarHBondContact OE1-NH2 3.28Å; E184-R230 IonicContact OE2-CZ 3.02Å; E184-R230 IonicContact OE2-NH1 3.53Å; E184-R230 PolarHBondContact OE2-NH1 2.91Å; E184-R230 IonicContact OE2-NH2 3.08Å; E184-R230 PolarHBondContact OE2-NH2 3.34Å; E184-R230 VanDerWaalsContact OE2-NH2 3.15Å; I226-R230 PolarHBondContact O-N 2.91Å; I227-R230 PolarHBondContact O-N 2.87Å; K228-R230 VanDerWaalsContact C-N 3.35Å; R230-T234 HydrophobicContact CB-CG2 4.4Å; R230-R235 HydrophobicContact CB-CG 4.49Å; R230-R235 PolarHBondContact O-NH1 2.93Å
231	N	92.6	Very high	88.8	Confident	94 Å²	94	77 Å²	77	50%	0.503	39%	0.386	S	S	.	.			trans	-61.9	157	178	75	62.9	0	0	0	112.6	L233 T234 R235	N231-L233 VanDerWaalsContact C-N 3.33Å; N231-L233 PolarHBondContact O-N 3.31Å; N231-L233 PolarHBondContact OD1-N 3.13Å; N231-L233 VanDerWaalsContact OD1-N 3.12Å; N231-T234 VanDerWaalsContact CG-OG1 3.28Å; N231-T234 PolarHBondContact ND2-OG1 3.19Å; N231-T234 PolarHBondContact O-N 3.45Å; N231-T234 WeakPolarHBondContact OD1-CB 3.22Å; N231-T234 PolarHBondContact OD1-N 3.32Å; N231-T234 PolarHBondContact OD1-OG1 3.3Å; N231-R235 WeakPolarHBondContact O-CG 3.39Å; N231-R235 PolarHBondContact O-N 2.87Å; N231-R235 VanDerWaalsContact O-N 3.1Å
232	I	90.4	Very high	88.9	Confident	107 Å²	107	70.8 Å²	70.8	55%	0.549	36%	0.357	S	S	.	.	H	α-helix	trans	-63.3	-35.7	-172.6	-161.4	159.9	0	0	0	113.4	R235 I236	I232-R235 PolarHBondContact O-N 2.97Å; I232-I236 HydrophobicContact CG1-CD1 4.26Å; I232-I236 WeakPolarHBondContact O-CG1 3.39Å; I232-I236 PolarHBondContact O-N 2.9Å
233	L	89.7	Confident	88.8	Confident	129 Å²	129	71.8 Å²	71.8	68%	0.675	35%	0.353	S	S	*	.	H	α-helix	trans	-67.6	-41.4	179.1	-66.5	173.8	0	0	0	111.1	N231 R235 I236 R237	N231-L233 VanDerWaalsContact C-N 3.33Å; N231-L233 PolarHBondContact O-N 3.31Å; N231-L233 PolarHBondContact OD1-N 3.13Å; N231-L233 VanDerWaalsContact OD1-N 3.12Å; L233-R235 VanDerWaalsContact C-N 3.34Å; L233-R235 PolarHBondContact O-N 3.24Å; L233-I236 PolarHBondContact O-N 3.08Å; L233-R237 WeakPolarHBondContact O-CB 3.24Å; L233-R237 PolarHBondContact O-N 2.86Å
234	T	87.1	Confident	88.8	Confident	32 Å²	32	78.5 Å²	78.5	20%	0.196	38%	0.382	C	S	.	.	H	α-helix	trans	-64	-39.7	175.1	-57.9	0	0	0	0	111.1	R230 N231 R237 I238	R230-T234 HydrophobicContact CB-CG2 4.4Å; N231-T234 VanDerWaalsContact CG-OG1 3.28Å; N231-T234 PolarHBondContact ND2-OG1 3.19Å; N231-T234 PolarHBondContact O-N 3.45Å; N231-T234 WeakPolarHBondContact OD1-CB 3.22Å; N231-T234 PolarHBondContact OD1-N 3.32Å; N231-T234 PolarHBondContact OD1-OG1 3.3Å; T234-R237 WeakPolarHBondContact O-CB 3.32Å; T234-R237 PolarHBondContact O-N 2.92Å; T234-I238 HydrophobicContact CG2-CD1 4.06Å; T234-I238 VanDerWaalsContact O-CG1 3.3Å; T234-I238 WeakPolarHBondContact O-CG1 3.32Å; T234-I238 PolarHBondContact O-N 3.3Å
235	R	89.6	Confident	88.7	Confident	88 Å²	88	82.5 Å²	82.5	33%	0.332	40%	0.398	S	S	.	.	H	α-helix	trans	-65	-41.5	175.3	-66.3	-173.3	-57	-124.2	-1.4	112.5	I227 K228 R230 N231 I232 L233 S239	I227-R235 HydrophobicContact CG2-CG 4.26Å; I227-R235 VanDerWaalsContact O-CD 3.22Å; I227-R235 WeakPolarHBondContact O-CD 3.33Å; I227-R235 VanDerWaalsContact O-CG 3.29Å; I227-R235 WeakPolarHBondContact O-CG 3.39Å; K228-R235 PolarHBondContact O-NH1 3.08Å; R230-R235 HydrophobicContact CB-CG 4.49Å; R230-R235 PolarHBondContact O-NH1 2.93Å; N231-R235 WeakPolarHBondContact O-CG 3.39Å; N231-R235 PolarHBondContact O-N 2.87Å; N231-R235 VanDerWaalsContact O-N 3.1Å; I232-R235 PolarHBondContact O-N 2.97Å; L233-R235 VanDerWaalsContact C-N 3.34Å; L233-R235 PolarHBondContact O-N 3.24Å; R235-S239 WeakPolarHBondContact O-CB 3.45Å; R235-S239 PolarHBondContact O-N 2.84Å
236	I	87.1	Confident	88.7	Confident	87 Å²	87	80 Å²	80	45%	0.446	38%	0.38	S	S	.	.	H	α-helix	trans	-63.5	-44.9	174.4	-69.1	166.7	0	0	0	110.1	I232 L233 I238 S239 N240	I232-I236 HydrophobicContact CG1-CD1 4.26Å; I232-I236 WeakPolarHBondContact O-CG1 3.39Å; I232-I236 PolarHBondContact O-N 2.9Å; L233-I236 PolarHBondContact O-N 3.08Å; I236-I238 PolarHBondContact O-N 3.26Å; I236-S239 PolarHBondContact O-N 3.28Å; I236-N240 WeakPolarHBondContact O-CB 3.42Å; I236-N240 PolarHBondContact O-N 3.05Å
237	R	89.8	Confident	88.6	Confident	156 Å²	156	78.4 Å²	78.4	59%	0.589	38%	0.378	S	S	*	.	H	α-helix	trans	-56.3	-51.6	176.7	-170.8	-175.1	73.3	138.7	2.1	111.5	L233 T234 S239 N240 V241	L233-R237 WeakPolarHBondContact O-CB 3.24Å; L233-R237 PolarHBondContact O-N 2.86Å; T234-R237 WeakPolarHBondContact O-CB 3.32Å; T234-R237 PolarHBondContact O-N 2.92Å; R237-S239 VanDerWaalsContact C-N 3.32Å; R237-S239 PolarHBondContact O-N 3.08Å; R237-N240 PolarHBondContact O-N 3.07Å; R237-V241 VanDerWaalsContact O-CG2 3.3Å; R237-V241 WeakPolarHBondContact O-CG2 3.45Å; R237-V241 PolarHBondContact O-N 2.91Å
238	I	87.7	Confident	88.5	Confident	13 Å²	13	82 Å²	82	7%	0.067	40%	0.395	C	S	.	.	H	α-helix	trans	-58.9	-44.6	178.4	-67.5	165.9	0	0	0	110.6	L188 Y215 I227 T234 I236 N240 V241 F242	L188-I238 HydrophobicContact CD1-CG2 4Å; L188-I238 HydrophobicContact CD2-CG2 4.19Å; Y215-I238 HydrophobicContact CE1-CG2 4.24Å; Y215-I238 HydrophobicContact CE2-CG2 4.26Å; Y215-I238 WeakPolarHBondContact OH-CG2 3.29Å; I227-I238 HydrophobicContact CG1-CD1 4.32Å; I227-I238 HydrophobicContact CG2-CD1 4.24Å; T234-I238 HydrophobicContact CG2-CD1 4.06Å; T234-I238 VanDerWaalsContact O-CG1 3.3Å; T234-I238 WeakPolarHBondContact O-CG1 3.32Å; T234-I238 PolarHBondContact O-N 3.3Å; I236-I238 PolarHBondContact O-N 3.26Å; I238-N240 VanDerWaalsContact C-N 3.33Å; I238-N240 PolarHBondContact O-N 3.01Å; I238-V241 PolarHBondContact O-N 3.16Å; I238-F242 WeakPolarHBondContact O-CB 3.36Å; I238-F242 PolarHBondContact O-N 3.2Å
239	S	88.3	Confident	88.4	Confident	34 Å²	34	77.6 Å²	77.6	24%	0.238	38%	0.376	C	S	.	.	H	α-helix	trans	-63.7	-36.5	178.4	-170.3	0	0	0	0	113.3	R235 I236 R237 K243	R235-S239 WeakPolarHBondContact O-CB 3.45Å; R235-S239 PolarHBondContact O-N 2.84Å; I236-S239 PolarHBondContact O-N 3.28Å; R237-S239 VanDerWaalsContact C-N 3.32Å; R237-S239 PolarHBondContact O-N 3.08Å; S239-K243 WeakPolarHBondContact O-CG 3.47Å; S239-K243 PolarHBondContact O-N 2.99Å; S239-K243 VanDerWaalsContact O-N 3.1Å
240	N	87.3	Confident	88.2	Confident	96 Å²	96	70.3 Å²	70.3	51%	0.513	34%	0.342	S	S	.	.	H	α-helix	trans	-73.4	-40.3	178.3	-71.8	-9.7	0	0	0	111.5	I236 R237 I238 K243 K244	I236-N240 WeakPolarHBondContact O-CB 3.42Å; I236-N240 PolarHBondContact O-N 3.05Å; R237-N240 PolarHBondContact O-N 3.07Å; I238-N240 VanDerWaalsContact C-N 3.33Å; I238-N240 PolarHBondContact O-N 3.01Å; N240-K243 PolarHBondContact O-N 2.91Å; N240-K244 WeakPolarHBondContact O-CB 3.3Å; N240-K244 PolarHBondContact O-N 2.87Å
241	V	88.5	Confident	87.7	Confident	78 Å²	78	71.6 Å²	71.6	47%	0.473	36%	0.357	S	S	.	.	H	α-helix	trans	-59.3	-49.1	173.9	171.1	0	0	0	0	110.2	R237 I238 K243 K244 F245	R237-V241 VanDerWaalsContact O-CG2 3.3Å; R237-V241 WeakPolarHBondContact O-CG2 3.45Å; R237-V241 PolarHBondContact O-N 2.91Å; I238-V241 PolarHBondContact O-N 3.16Å; V241-K243 PolarHBondContact O-N 3.48Å; V241-K244 PolarHBondContact O-N 2.71Å; V241-F245 WeakPolarHBondContact O-CB 3.28Å; V241-F245 PolarHBondContact O-N 2.8Å
242	F	91.5	Very high	87	Confident	4 Å²	4	71.7 Å²	71.7	2%	0.018	35%	0.354	C	S	.	.	H	α-helix	trans	-57.1	-49.5	176.5	170.7	-98.1	0	0	0	112.3	A191 V192 I195 Y215 I238 K244 F245 L246	A191-F242 HydrophobicContact CB-CE2 4.09Å; V192-F242 HydrophobicContact CG2-CD2 3.87Å; V192-F242 HydrophobicContact CG2-CE2 3.45Å; V192-F242 VanDerWaalsContact CG2-CE2 3.45Å; V192-F242 HydrophobicContact CG2-CZ 4.3Å; I195-F242 HydrophobicContact CD1-CE1 4.35Å; I195-F242 HydrophobicContact CD1-CE2 4.36Å; I195-F242 HydrophobicContact CD1-CZ 3.54Å; Y215-F242 HydrophobicContact CD1-CB 4.01Å; Y215-F242 AromaticContact CD1-CD1 3.81Å; Y215-F242 HydrophobicContact CD1-CD1 3.81Å; Y215-F242 HydrophobicContact CD1-CD2 4.4Å; Y215-F242 HydrophobicContact CD1-CE1 4.46Å; Y215-F242 AromaticContact CD1-CG 3.78Å; Y215-F242 HydrophobicContact CD1-CG 3.78Å; Y215-F242 HydrophobicContact CG-CD1 4.36Å; Y215-F242 HydrophobicContact CG-CD2 4.29Å; Y215-F242 HydrophobicContact CG-CG 4.13Å; I238-F242 WeakPolarHBondContact O-CB 3.36Å; I238-F242 PolarHBondContact O-N 3.2Å; F242-K244 VanDerWaalsContact C-N 3.32Å; F242-K244 PolarHBondContact O-N 3.05Å; F242-F245 PolarHBondContact O-N 3.46Å; F242-L246 HydrophobicContact CE1-CD2 3.87Å; F242-L246 HydrophobicContact CZ-CB 4.35Å; F242-L246 HydrophobicContact CZ-CD2 3.78Å; F242-L246 WeakPolarHBondContact O-CB 3.45Å; F242-L246 PolarHBondContact O-N 3.03Å
243	K	87.3	Confident	86.5	Confident	91 Å²	91	69.2 Å²	69.2	40%	0.396	34%	0.344	S	S	.	.	H	α-helix	trans	-62.5	-39	-179.8	-77.4	-178.4	175.8	-172.1	0	112.6	S239 N240 V241 A247	S239-K243 WeakPolarHBondContact O-CG 3.47Å; S239-K243 PolarHBondContact O-N 2.99Å; S239-K243 VanDerWaalsContact O-N 3.1Å; N240-K243 PolarHBondContact O-N 2.91Å; V241-K243 PolarHBondContact O-N 3.48Å; K243-A247 WeakPolarHBondContact O-CB 3.48Å; K243-A247 PolarHBondContact O-N 3.35Å
244	K	86.4	Confident	85.9	Confident	146 Å²	146	63.4 Å²	63.4	64%	0.635	31%	0.314	S	S	*	.	H	α-helix	trans	-63.2	-49.2	175.5	-173.6	-175.5	174.8	-170.7	0	110.4	N240 V241 F242 A247 E248	N240-K244 WeakPolarHBondContact O-CB 3.3Å; N240-K244 PolarHBondContact O-N 2.87Å; V241-K244 PolarHBondContact O-N 2.71Å; F242-K244 VanDerWaalsContact C-N 3.32Å; F242-K244 PolarHBondContact O-N 3.05Å; K244-A247 PolarHBondContact O-N 2.72Å; K244-E248 WeakPolarHBondContact O-CB 3.38Å; K244-E248 PolarHBondContact O-N 2.96Å
245	F	88.3	Confident	85.2	Confident	102 Å²	102	64.1 Å²	64.1	45%	0.447	33%	0.328	S	S	.	.	H	α-helix	trans	-63.8	-42.7	-179	-165.5	-116	0	0	0	112.2	V192 V241 F242 A247 E248 F249	V192-F245 HydrophobicContact CB-CD1 4.29Å; V192-F245 HydrophobicContact CG1-CD1 4.41Å; V192-F245 HydrophobicContact CG2-CD1 3.74Å; V192-F245 HydrophobicContact CG2-CE1 4.43Å; V241-F245 WeakPolarHBondContact O-CB 3.28Å; V241-F245 PolarHBondContact O-N 2.8Å; F242-F245 PolarHBondContact O-N 3.46Å; F245-A247 PolarHBondContact O-N 2.55Å; F245-E248 PolarHBondContact O-N 3.27Å; F245-F249 WeakPolarHBondContact O-CB 3.25Å; F245-F249 PolarHBondContact O-N 3.02Å
246	L	87.5	Confident	84.3	Confident	0 Å²	0	67.2 Å²	67.2	0%	0	35%	0.346	C	S	.	.	H	α-helix	trans	-62.2	-41.9	175.6	-179.7	61.5	0	0	0	112.4	V192 I195 F242 N250	V192-L246 HydrophobicContact CB-CD1 4.37Å; V192-L246 HydrophobicContact CG1-CD1 3.9Å; V192-L246 HydrophobicContact CG2-CB 4.04Å; V192-L246 HydrophobicContact CG2-CD1 4.24Å; I195-L246 HydrophobicContact CB-CD1 4.48Å; I195-L246 HydrophobicContact CG2-CD1 4.03Å; I195-L246 HydrophobicContact CG2-CD2 3.96Å; F242-L246 HydrophobicContact CE1-CD2 3.87Å; F242-L246 HydrophobicContact CZ-CB 4.35Å; F242-L246 HydrophobicContact CZ-CD2 3.78Å; F242-L246 WeakPolarHBondContact O-CB 3.45Å; F242-L246 PolarHBondContact O-N 3.03Å; L246-N250 WeakPolarHBondContact CD1-ND2 3.49Å; L246-N250 VanDerWaalsContact O-CB 3.32Å; L246-N250 WeakPolarHBondContact O-CB 3.4Å; L246-N250 PolarHBondContact O-N 3.45Å; L246-N250 VanDerWaalsContact O-N 3.1Å; L246-N250 PolarHBondContact O-ND2 2.89Å
247	A	85.3	Confident	83.4	Confident	40 Å²	40	66.8 Å²	66.8	33%	0.331	35%	0.351	S	S	.	.	H	α-helix	trans	-65	-49.6	177.1	0	0	0	0	0	111.2	K243 K244 F245 N250 T251	K243-A247 WeakPolarHBondContact O-CB 3.48Å; K243-A247 PolarHBondContact O-N 3.35Å; K244-A247 PolarHBondContact O-N 2.72Å; F245-A247 PolarHBondContact O-N 2.55Å; A247-N250 PolarHBondContact O-N 2.84Å; A247-T251 WeakPolarHBondContact O-CG2 3.24Å; A247-T251 PolarHBondContact O-N 2.6Å; A247-T251 PolarHBondContact O-OG1 2.97Å
248	E	85.9	Confident	82.8	Confident	81 Å²	81	66.2 Å²	66.2	38%	0.379	36%	0.359	S	S	.	.	H	α-helix	trans	-59.9	-47.8	-180	-169.6	171.2	173	0	0	111.6	K244 F245 N250 T251 Q252	K244-E248 WeakPolarHBondContact O-CB 3.38Å; K244-E248 PolarHBondContact O-N 2.96Å; F245-E248 PolarHBondContact O-N 3.27Å; E248-N250 PolarHBondContact O-N 3.06Å; E248-T251 PolarHBondContact O-N 3.36Å; E248-T251 PolarHBondContact O-OG1 3.15Å; E248-Q252 WeakPolarHBondContact O-CB 3.35Å; E248-Q252 PolarHBondContact O-N 3.14Å
249	F	86.1	Confident	82.7	Confident	33 Å²	33	67.2 Å²	67.2	15%	0.145	36%	0.364	C	S	.	.	I	π-helix	trans	-61.3	-44.1	177.8	-173.1	-103.5	0	0	0	112.4	V192 L193 T196 F245 T253 V254 L264	V192-F249 HydrophobicContact CG1-CB 4.01Å; V192-F249 HydrophobicContact CG1-CD1 3.62Å; V192-F249 HydrophobicContact CG1-CE1 4.31Å; V192-F249 HydrophobicContact CG1-CG 3.91Å; L193-F249 HydrophobicContact CD2-CE1 4.15Å; L193-F249 HydrophobicContact CD2-CZ 3.79Å; T196-F249 HydrophobicContact CG2-CD1 4.27Å; T196-F249 HydrophobicContact CG2-CE1 4.04Å; F245-F249 WeakPolarHBondContact O-CB 3.25Å; F245-F249 PolarHBondContact O-N 3.02Å; F249-T253 HydrophobicContact CD2-CG2 3.98Å; F249-T253 HydrophobicContact CE2-CG2 3.76Å; F249-T253 WeakPolarHBondContact O-CA 3.49Å; F249-T253 VanDerWaalsContact O-CB 3.28Å; F249-T253 WeakPolarHBondContact O-CB 3.28Å; F249-T253 PolarHBondContact O-N 2.98Å; F249-T253 VanDerWaalsContact O-N 3.14Å; F249-V254 HydrophobicContact CD1-CG2 3.93Å; F249-V254 HydrophobicContact CE1-CG2 3.6Å; F249-V254 HydrophobicContact CZ-CG2 4.1Å; F249-V254 PolarHBondContact O-N 3.43Å; F249-L264 HydrophobicContact CE1-CD2 4.03Å; F249-L264 HydrophobicContact CZ-CD2 4.05Å
250	N	84.9	Confident	82.7	Confident	2 Å²	2	68.5 Å²	68.5	1%	0.011	37%	0.371	C	S	.	.	I	π-helix	trans	-69.6	-38.1	180	-74.7	-19.8	0	0	0	113	T196 F206 L246 A247 E248 G255	T196-N250 WeakPolarHBondContact CB-OD1 3.12Å; T196-N250 WeakPolarHBondContact CG2-OD1 3.32Å; T196-N250 PolarHBondContact OG1-OD1 3.44Å; F206-N250 HydrophobicContact CB-CB 3.77Å; F206-N250 HydrophobicContact CD1-CB 4.38Å; F206-N250 HydrophobicContact CD2-CB 4.04Å; F206-N250 HydrophobicContact CG-CB 3.82Å; L246-N250 WeakPolarHBondContact CD1-ND2 3.49Å; L246-N250 VanDerWaalsContact O-CB 3.32Å; L246-N250 WeakPolarHBondContact O-CB 3.4Å; L246-N250 PolarHBondContact O-N 3.45Å; L246-N250 VanDerWaalsContact O-N 3.1Å; L246-N250 PolarHBondContact O-ND2 2.89Å; A247-N250 PolarHBondContact O-N 2.84Å; E248-N250 PolarHBondContact O-N 3.06Å; N250-G255 PolarHBondContact O-N 2.83Å
251	T	80	Confident	82.7	Confident	90 Å²	90	65.4 Å²	65.4	55%	0.552	36%	0.356	S	S	*	.	I	π-helix	trans	-82.3	-48	-177.4	54.1	0	0	0	0	113	A247 E248	A247-T251 WeakPolarHBondContact O-CG2 3.24Å; A247-T251 PolarHBondContact O-N 2.6Å; A247-T251 PolarHBondContact O-OG1 2.97Å; E248-T251 PolarHBondContact O-N 3.36Å; E248-T251 PolarHBondContact O-OG1 3.15Å
252	Q	78.9	Confident	82.7	Confident	97 Å²	97	67.5 Å²	67.5	45%	0.453	36%	0.357	S	S	.	.	I	π-helix	trans	-90.4	-48.8	-172.6	-64.5	178.2	-7.5	0	0	110.9	E248 E256	E248-Q252 WeakPolarHBondContact O-CB 3.35Å; E248-Q252 PolarHBondContact O-N 3.14Å; Q252-E256 WeakPolarHBondContact O-CB 3.4Å; Q252-E256 VanDerWaalsContact O-CG 3.32Å; Q252-E256 WeakPolarHBondContact O-CG 3.49Å; Q252-E256 PolarHBondContact O-N 3.47Å
253	T	78.9	Confident	82.6	Confident	55 Å²	55	70.8 Å²	70.8	34%	0.337	38%	0.375	S	S	.	.	I	π-helix	trans	-79.8	-52.2	-172.2	-42.6	0	0	0	0	112	F249 S257 I259	F249-T253 HydrophobicContact CD2-CG2 3.98Å; F249-T253 HydrophobicContact CE2-CG2 3.76Å; F249-T253 WeakPolarHBondContact O-CA 3.49Å; F249-T253 VanDerWaalsContact O-CB 3.28Å; F249-T253 WeakPolarHBondContact O-CB 3.28Å; F249-T253 PolarHBondContact O-N 2.98Å; F249-T253 VanDerWaalsContact O-N 3.14Å; T253-S257 WeakPolarHBondContact O-CB 3.09Å; T253-S257 PolarHBondContact O-N 3.43Å; T253-S257 PolarHBondContact O-OG 2.95Å; T253-I259 HydrophobicContact CG2-CD1 3.75Å; T253-I259 WeakPolarHBondContact O-CD1 3.08Å
254	V	78	Confident	82.9	Confident	7 Å²	7	66.6 Å²	66.6	4%	0.042	36%	0.356	C	S	.	.	I	π-helix	trans	-79.6	-40.2	-176.6	178.9	0	0	0	0	112.4	T196 F206 F249 I259	T196-V254 HydrophobicContact CG2-CG2 3.93Å; F206-V254 HydrophobicContact CE2-CG1 4.21Å; F206-V254 HydrophobicContact CZ-CG1 4Å; F249-V254 HydrophobicContact CD1-CG2 3.93Å; F249-V254 HydrophobicContact CE1-CG2 3.6Å; F249-V254 HydrophobicContact CZ-CG2 4.1Å; F249-V254 PolarHBondContact O-N 3.43Å; V254-I259 HydrophobicContact CG2-CD1 4.29Å
255	G	70.8	Confident	83.2	Confident	47 Å²	47	60.6 Å²	60.6	49%	0.485	33%	0.33	S	S	.	.	H	α-helix	trans	-67.3	-40.2	-179.8	0	0	0	0	0	113.8	N250	N250-G255 PolarHBondContact O-N 2.83Å
256	E	71.7	Confident	83.4	Confident	153 Å²	153	56.7 Å²	56.7	72%	0.715	31%	0.314	S	S	*	.	H	α-helix	trans	-91.1	-25.5	-175.9	-53.3	178.1	170.7	0	0	113.1	Q252	Q252-E256 WeakPolarHBondContact O-CB 3.4Å; Q252-E256 VanDerWaalsContact O-CG 3.32Å; Q252-E256 WeakPolarHBondContact O-CG 3.49Å; Q252-E256 PolarHBondContact O-N 3.47Å
257	S	69.3	Low	83.6	Confident	77 Å²	77	62.5 Å²	62.5	54%	0.538	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.8	14.7	-170.9	-46.7	0	0	0	0	115.6	T253 I259	T253-S257 WeakPolarHBondContact O-CB 3.09Å; T253-S257 PolarHBondContact O-N 3.43Å; T253-S257 PolarHBondContact O-OG 2.95Å; S257-I259 PolarHBondContact O-N 2.98Å
258	N	76	Confident	84.1	Confident	145 Å²	145	60.7 Å²	60.7	78%	0.775	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.9	31.4	178	-81.1	-17.6	0	0	0	115.6	T260	N258-T260 PolarHBondContact O-N 3.06Å
259	I	85.8	Confident	84.4	Confident	33 Å²	33	56.8 Å²	56.8	17%	0.169	31%	0.306	C	S	.	.			trans	-63.5	126.6	-177.1	-61.6	179	0	0	0	110.6	K200 T253 V254 S257 D263 L264	K200-I259 PolarHBondContact NZ-O 2.86Å; T253-I259 HydrophobicContact CG2-CD1 3.75Å; T253-I259 WeakPolarHBondContact O-CD1 3.08Å; V254-I259 HydrophobicContact CG2-CD1 4.29Å; S257-I259 PolarHBondContact O-N 2.98Å; I259-D263 HydrophobicContact CG2-CB 3.86Å; I259-L264 HydrophobicContact CG2-CD2 3.94Å; I259-L264 HydrophobicContact CG2-CG 3.99Å
260	T	88.2	Confident	84.7	Confident	62 Å²	62	55.9 Å²	55.9	38%	0.38	30%	0.304	S	S	.	.			trans	-87.4	166.6	-179.1	69.9	0	0	0	0	112.5	N258 Y262 D263 L264	N258-T260 PolarHBondContact O-N 3.06Å; T260-Y262 PolarHBondContact O-N 2.95Å; T260-Y262 WeakPolarHBondContact OG1-CB 3.48Å; T260-Y262 PolarHBondContact OG1-N 2.95Å; T260-D263 WeakPolarHBondContact CB-OD2 3.5Å; T260-D263 PolarHBondContact N-OD2 2.9Å; T260-D263 PolarHBondContact O-N 3.19Å; T260-D263 PolarHBondContact OG1-N 3.31Å; T260-D263 PolarHBondContact OG1-OD2 2.91Å; T260-L264 PolarHBondContact O-N 3.38Å
261	C	88	Confident	85	Confident	30 Å²	30	57.2 Å²	57.2	20%	0.203	31%	0.312	C	S	.	.	H	α-helix	trans	-61.4	-33.1	171.8	-65.7	0	0	0	0	111.6	L264 K265	C261-L264 PolarHBondContact O-N 2.85Å; C261-K265 WeakPolarHBondContact O-CG 3.36Å; C261-K265 PolarHBondContact O-N 3.49Å
262	Y	88.4	Confident	85.5	Confident	123 Å²	123	53 Å²	53	48%	0.482	29%	0.286	S	S	.	.	H	α-helix	trans	-58.8	-48.3	174.8	178.9	-88.5	0	0	0	111.4	L153 T260 L264 K265 I266	L153-Y262 HydrophobicContact CD2-CD2 3.43Å; L153-Y262 VanDerWaalsContact CD2-CD2 3.43Å; L153-Y262 HydrophobicContact CD2-CE2 3.21Å; L153-Y262 HydrophobicContact CD2-CG 4.46Å; T260-Y262 PolarHBondContact O-N 2.95Å; T260-Y262 WeakPolarHBondContact OG1-CB 3.48Å; T260-Y262 PolarHBondContact OG1-N 2.95Å; Y262-L264 VanDerWaalsContact C-N 3.3Å; Y262-L264 PolarHBondContact O-N 2.92Å; Y262-K265 PolarHBondContact O-N 3.32Å; Y262-K265 VanDerWaalsContact O-N 3.14Å; Y262-I266 HydrophobicContact CD1-CG1 4.08Å; Y262-I266 HydrophobicContact CE1-CD1 4.29Å; Y262-I266 HydrophobicContact CE1-CG1 3.68Å; Y262-I266 WeakPolarHBondContact O-CG1 3.21Å; Y262-I266 PolarHBondContact O-N 3.05Å
263	D	89.9	Confident	86	Confident	73 Å²	73	49.3 Å²	49.3	39%	0.39	27%	0.269	S	S	.	.	H	α-helix	trans	-62.3	-38	179.8	-55.7	-46.6	0	0	0	112.1	I259 T260 I266 K267	I259-D263 HydrophobicContact CG2-CB 3.86Å; T260-D263 WeakPolarHBondContact CB-OD2 3.5Å; T260-D263 PolarHBondContact N-OD2 2.9Å; T260-D263 PolarHBondContact O-N 3.19Å; T260-D263 PolarHBondContact OG1-N 3.31Å; T260-D263 PolarHBondContact OG1-OD2 2.91Å; D263-I266 PolarHBondContact O-N 2.99Å; D263-K267 WeakPolarHBondContact O-CB 3.3Å; D263-K267 PolarHBondContact O-N 3.18Å
264	L	92.1	Very high	86.4	Confident	3 Å²	3	49.1 Å²	49.1	2%	0.016	28%	0.278	C	S	.	.	H	α-helix	trans	-65.5	-41.4	175.4	-65.4	174	0	0	0	111.9	L193 T196 H197 F249 I259 T260 C261 Y262 Y268	L193-L264 HydrophobicContact CD2-CD2 3.91Å; T196-L264 HydrophobicContact CG2-CD1 3.96Å; H197-L264 HydrophobicContact CB-CB 4.49Å; H197-L264 HydrophobicContact CB-CD1 4.24Å; F249-L264 HydrophobicContact CE1-CD2 4.03Å; F249-L264 HydrophobicContact CZ-CD2 4.05Å; I259-L264 HydrophobicContact CG2-CD2 3.94Å; I259-L264 HydrophobicContact CG2-CG 3.99Å; T260-L264 PolarHBondContact O-N 3.38Å; C261-L264 PolarHBondContact O-N 2.85Å; Y262-L264 VanDerWaalsContact C-N 3.3Å; Y262-L264 PolarHBondContact O-N 2.92Å; L264-Y268 VanDerWaalsContact O-CB 3.3Å; L264-Y268 WeakPolarHBondContact O-CB 3.49Å; L264-Y268 PolarHBondContact O-N 2.66Å
265	K	93.8	Very high	86.9	Confident	20 Å²	20	48.8 Å²	48.8	9%	0.087	28%	0.276	C	S	.	.	H	α-helix	trans	-62	-48.7	175.5	-68.6	-179.4	-174.4	-176.7	0	110.6	E154 Y157 H197 C261 Y262 Y268 L269	E154-K265 IonicContact OE1-NZ 2.69Å; E154-K265 PolarHBondContact OE1-NZ 3.03Å; Y157-K265 HydrophobicContact CD1-CD 4.48Å; Y157-K265 HydrophobicContact CD1-CG 4.16Å; Y157-K265 HydrophobicContact CD2-CB 3.91Å; Y157-K265 HydrophobicContact CD2-CG 3.76Å; Y157-K265 HydrophobicContact CE1-CG 4.47Å; Y157-K265 HydrophobicContact CE2-CB 4.4Å; Y157-K265 HydrophobicContact CE2-CG 4.08Å; Y157-K265 HydrophobicContact CG-CB 4.26Å; Y157-K265 HydrophobicContact CG-CD 4.25Å; Y157-K265 HydrophobicContact CG-CG 3.77Å; H197-K265 WeakPolarHBondContact NE2-CE 3.38Å; C261-K265 WeakPolarHBondContact O-CG 3.36Å; C261-K265 PolarHBondContact O-N 3.49Å; Y262-K265 PolarHBondContact O-N 3.32Å; Y262-K265 VanDerWaalsContact O-N 3.14Å; K265-Y268 PolarHBondContact O-N 2.98Å; K265-L269 WeakPolarHBondContact O-CG 3.41Å; K265-L269 PolarHBondContact O-N 3.44Å
266	I	91.9	Very high	87.6	Confident	20 Å²	20	46.9 Å²	46.9	10%	0.103	26%	0.255	C	S	.	.	H	α-helix	trans	-59.7	-48.7	177.7	-65	-65.3	0	0	0	111.1	W115 H116 T118 L153 Y262 D263 Y268 L269 A270	W115-I266 HydrophobicContact CH2-CD1 3.4Å; W115-I266 HydrophobicContact CZ2-CD1 4.27Å; W115-I266 HydrophobicContact CZ3-CD1 3.94Å; H116-I266 HydrophobicContact CB-CD1 4.2Å; H116-I266 HydrophobicContact CB-CG2 3.97Å; T118-I266 HydrophobicContact CG2-CG2 4.08Å; L153-I266 HydrophobicContact CD1-CD1 4.16Å; L153-I266 HydrophobicContact CD2-CD1 4.2Å; Y262-I266 HydrophobicContact CD1-CG1 4.08Å; Y262-I266 HydrophobicContact CE1-CD1 4.29Å; Y262-I266 HydrophobicContact CE1-CG1 3.68Å; Y262-I266 WeakPolarHBondContact O-CG1 3.21Å; Y262-I266 PolarHBondContact O-N 3.05Å; D263-I266 PolarHBondContact O-N 2.99Å; I266-Y268 VanDerWaalsContact C-N 3.3Å; I266-Y268 PolarHBondContact O-N 3.08Å; I266-L269 PolarHBondContact O-N 3.48Å; I266-A270 WeakPolarHBondContact O-CB 3.24Å; I266-A270 PolarHBondContact O-N 3.01Å
267	K	92.6	Very high	87.8	Confident	122 Å²	122	42.6 Å²	42.6	53%	0.53	24%	0.242	S	C	.	.	H	α-helix	trans	-61.8	-40.2	-179.9	-174.9	60.9	179.1	179.1	0	111.9	L193 D263 T271	L193-K267 HydrophobicContact CD1-CB 4.47Å; L193-K267 HydrophobicContact CD1-CG 3.98Å; L193-K267 HydrophobicContact CD2-CG 4.31Å; D263-K267 WeakPolarHBondContact O-CB 3.3Å; D263-K267 PolarHBondContact O-N 3.18Å; K267-T271 WeakPolarHBondContact O-CB 3.35Å; K267-T271 PolarHBondContact O-N 3.37Å; K267-T271 PolarHBondContact O-OG1 2.63Å; K267-T271 VanDerWaalsContact O-OG1 3.08Å
268	Y	94.4	Very high	88.1	Confident	1 Å²	1	45.5 Å²	45.5	0%	0.004	24%	0.241	C	C	.	.	H	α-helix	trans	-61.8	-48.4	176.6	-172.5	-92.3	0	0	0	111.6	Y157 Q161 M190 L193 A194 L264 K265 I266 T271 M272	Y157-Y268 AromaticContact CD2-CD1 3.92Å; Y157-Y268 HydrophobicContact CD2-CD1 3.92Å; Y157-Y268 HydrophobicContact CD2-CG 4.28Å; Y157-Y268 AromaticContact CE2-CD1 3.76Å; Y157-Y268 HydrophobicContact CE2-CD1 3.76Å; Y157-Y268 HydrophobicContact CE2-CD2 4.43Å; Y157-Y268 HydrophobicContact CE2-CE1 4.45Å; Y157-Y268 AromaticContact CE2-CG 3.76Å; Y157-Y268 HydrophobicContact CE2-CG 3.76Å; Q161-Y268 HydrophobicContact CB-CE1 4.48Å; Q161-Y268 HydrophobicContact CG-CD1 4.38Å; Q161-Y268 HydrophobicContact CG-CE1 3.51Å; Q161-Y268 HydrophobicContact CG-CE2 4.5Å; M190-Y268 HydrophobicContact CB-CD2 4.43Å; M190-Y268 HydrophobicContact CB-CE2 3.89Å; M190-Y268 HydrophobicContact CE-CD1 3.83Å; M190-Y268 HydrophobicContact CE-CD2 3.53Å; M190-Y268 HydrophobicContact CE-CE1 3.69Å; M190-Y268 HydrophobicContact CE-CE2 3.35Å; M190-Y268 HydrophobicContact CE-CG 3.74Å; M190-Y268 VanDerWaalsContact CE-CZ 3.41Å; M190-Y268 VanDerWaalsContact CE-O 3.24Å; M190-Y268 WeakPolarHBondContact CE-O 3.46Å; M190-Y268 HydrophobicContact CG-CE2 4.47Å; M190-Y268 WeakPolarHBondContact O-CE2 3.48Å; M190-Y268 HydrophobicContact SD-CD2 3.69Å; M190-Y268 HydrophobicContact SD-CE2 3.87Å; M190-Y268 HydrophobicContact SD-CG 4.19Å; L193-Y268 HydrophobicContact CB-CD2 3.96Å; L193-Y268 HydrophobicContact CD1-CD2 4.37Å; A194-Y268 HydrophobicContact CB-CE2 4.25Å; L264-Y268 VanDerWaalsContact O-CB 3.3Å; L264-Y268 WeakPolarHBondContact O-CB 3.49Å; L264-Y268 PolarHBondContact O-N 2.66Å; K265-Y268 PolarHBondContact O-N 2.98Å; I266-Y268 VanDerWaalsContact C-N 3.3Å; I266-Y268 PolarHBondContact O-N 3.08Å; Y268-T271 PolarHBondContact O-N 3.31Å; Y268-M272 HydrophobicContact CD1-CE 3.94Å; Y268-M272 HydrophobicContact CE1-CE 3.19Å; Y268-M272 PolarHBondContact O-N 2.71Å
269	L	93.4	Very high	88.4	Confident	0 Å²	0	39.3 Å²	39.3	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-65.1	-45.2	-180	-67.8	172.3	0	0	0	111.9	W115 L153 L156 C160 K265 I266 T271 M272 E273 M279	W115-L269 HydrophobicContact CZ2-CD1 3.85Å; L153-L269 HydrophobicContact CD1-CD1 3.62Å; L156-L269 HydrophobicContact CD2-CD1 3.93Å; L156-L269 HydrophobicContact CD2-CD2 4.47Å; L156-L269 HydrophobicContact CG-CD1 4.09Å; L156-L269 HydrophobicContact CG-CD2 4.05Å; C160-L269 HydrophobicContact CB-CD2 3.59Å; C160-L269 VanDerWaalsContact SG-CD2 3.5Å; K265-L269 WeakPolarHBondContact O-CG 3.41Å; K265-L269 PolarHBondContact O-N 3.44Å; I266-L269 PolarHBondContact O-N 3.48Å; L269-T271 PolarHBondContact O-N 2.97Å; L269-M272 WeakPolarHBondContact O-CB 3.32Å; L269-M272 PolarHBondContact O-N 3.04Å; L269-M272 VanDerWaalsContact O-N 3.11Å; L269-E273 PolarHBondContact O-N 3.46Å; L269-M279 HydrophobicContact CD2-CE 4.33Å
270	A	91.6	Very high	88.2	Confident	13 Å²	13	38.7 Å²	38.7	11%	0.107	21%	0.21	C	C	.	.	H	α-helix	trans	-60.8	-42.3	176.6	0	0	0	0	0	112.5	H116 I266 M272 E273	H116-A270 WeakPolarHBondContact CE1-CB 3.42Å; I266-A270 WeakPolarHBondContact O-CB 3.24Å; I266-A270 PolarHBondContact O-N 3.01Å; A270-M272 VanDerWaalsContact C-N 3.31Å; A270-M272 PolarHBondContact O-N 3.31Å; A270-E273 PolarHBondContact O-N 2.99Å
271	T	91.7	Very high	88.2	Confident	31 Å²	31	37 Å²	37	19%	0.19	20%	0.2	C	C	.	.	H	α-helix	trans	-66.9	-34	175.4	-64.7	0	0	0	0	111.6	M190 K267 Y268 L269 G274 L275	M190-T271 HydrophobicContact CG-CG2 4.08Å; M190-T271 HydrophobicContact SD-CG2 3.52Å; M190-T271 VanDerWaalsContact SD-CG2 3.52Å; K267-T271 WeakPolarHBondContact O-CB 3.35Å; K267-T271 PolarHBondContact O-N 3.37Å; K267-T271 PolarHBondContact O-OG1 2.63Å; K267-T271 VanDerWaalsContact O-OG1 3.08Å; Y268-T271 PolarHBondContact O-N 3.31Å; L269-T271 PolarHBondContact O-N 2.97Å; T271-G274 PolarHBondContact O-N 3.21Å; T271-L275 WeakPolarHBondContact O-CB 3.47Å; T271-L275 PolarHBondContact O-N 3.08Å
272	M	90.3	Very high	88.4	Confident	1 Å²	1	37.1 Å²	37.1	1%	0.005	20%	0.198	C	C	.	.	H	α-helix	trans	-65.6	-39	176	-165.9	176.4	-62.5	0	0	113.1	C160 F164 M190 Y268 L269 A270 G274 L275 T276 M279	C160-M272 HydrophobicContact CB-CE 3.67Å; C160-M272 HydrophobicContact CB-SD 3.56Å; C160-M272 VanDerWaalsContact CB-SD 3.56Å; C160-M272 WeakPolarHBondContact O-CE 3.29Å; F164-M272 HydrophobicContact CB-CE 3.72Å; F164-M272 HydrophobicContact CB-SD 4.4Å; F164-M272 HydrophobicContact CD2-CE 4.47Å; F164-M272 HydrophobicContact CG-CE 4.18Å; M190-M272 HydrophobicContact CE-CB 3.84Å; M190-M272 HydrophobicContact CE-CE 3.72Å; M190-M272 HydrophobicContact CE-CG 4.44Å; Y268-M272 HydrophobicContact CD1-CE 3.94Å; Y268-M272 HydrophobicContact CE1-CE 3.19Å; Y268-M272 PolarHBondContact O-N 2.71Å; L269-M272 WeakPolarHBondContact O-CB 3.32Å; L269-M272 PolarHBondContact O-N 3.04Å; L269-M272 VanDerWaalsContact O-N 3.11Å; A270-M272 VanDerWaalsContact C-N 3.31Å; A270-M272 PolarHBondContact O-N 3.31Å; M272-G274 VanDerWaalsContact C-N 3.29Å; M272-G274 PolarHBondContact O-N 3.29Å; M272-L275 PolarHBondContact O-N 3.41Å; M272-T276 HydrophobicContact CG-CG2 3.92Å; M272-T276 WeakPolarHBondContact O-CB 3.46Å; M272-T276 WeakPolarHBondContact O-CG2 3.36Å; M272-T276 PolarHBondContact O-N 2.94Å; M272-T276 PolarHBondContact O-OG1 2.83Å; M272-M279 HydrophobicContact CB-CE 4.48Å; M272-M279 HydrophobicContact CB-SD 3.79Å; M272-M279 HydrophobicContact CG-SD 3.52Å; M272-M279 VanDerWaalsContact CG-SD 3.52Å; M272-M279 HydrophobicContact SD-CE 4.29Å; M272-M279 HydrophobicContact SD-SD 3.8Å
273	E	89.8	Confident	88.5	Confident	19 Å²	19	33.6 Å²	33.6	9%	0.089	19%	0.187	C	C	.	.	H	α-helix	trans	-58.1	-41.1	176.5	-71.1	-168.7	165.5	0	0	111.9	Y111 N114 H116 L269 A270 M279	Y111-E273 HydrophobicContact CE1-CG 4.49Å; Y111-E273 WeakPolarHBondContact CE1-OE1 3.43Å; Y111-E273 PolarHBondContact OH-OE1 2.98Å; N114-E273 PolarHBondContact N-OE1 3.39Å; N114-E273 PolarHBondContact N-OE2 2.93Å; N114-E273 VanDerWaalsContact N-OE2 3.14Å; H116-E273 IonicContact NE2-OE1 3.95Å; H116-E273 IonicContact NE2-OE2 3.6Å; H116-E273 PolarHBondContact NE2-OE2 3.27Å; L269-E273 PolarHBondContact O-N 3.46Å; A270-E273 PolarHBondContact O-N 2.99Å; E273-M279 HydrophobicContact CG-CE 4.23Å; E273-M279 HydrophobicContact CG-SD 4.05Å
274	G	86.2	Confident	88.7	Confident	51 Å²	51	30.7 Å²	30.7	53%	0.526	17%	0.171	S	C	.	.	H	α-helix	trans	-79.4	-29.8	178.7	0	0	0	0	0	114.3	R172 T271 M272	R172-G274 WeakPolarHBondContact CD-O 3.41Å; T271-G274 PolarHBondContact O-N 3.21Å; M272-G274 VanDerWaalsContact C-N 3.29Å; M272-G274 PolarHBondContact O-N 3.29Å
275	L	88.5	Confident	88.6	Confident	0 Å²	0	34.1 Å²	34.1	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-81.6	-25.2	-176.6	-177.4	60	0	0	0	113	F164 L171 R172 I183 E186 M190 T271 M272	F164-L275 HydrophobicContact CE2-CD2 3.72Å; F164-L275 HydrophobicContact CZ-CD2 4.08Å; L171-L275 HydrophobicContact CD2-CD1 4.04Å; L171-L275 HydrophobicContact CD2-CD2 3.99Å; L171-L275 HydrophobicContact CD2-CG 3.67Å; R172-L275 PolarHBondContact N-O 3.44Å; I183-L275 HydrophobicContact CB-CD1 4.31Å; I183-L275 HydrophobicContact CG1-CD1 4.31Å; I183-L275 HydrophobicContact CG2-CD1 3.87Å; E186-L275 HydrophobicContact CB-CD1 4.06Å; E186-L275 HydrophobicContact CB-CD2 4.37Å; E186-L275 WeakPolarHBondContact OE2-CD1 3.36Å; M190-L275 HydrophobicContact CG-CD2 4.18Å; T271-L275 WeakPolarHBondContact O-CB 3.47Å; T271-L275 PolarHBondContact O-N 3.08Å; M272-L275 PolarHBondContact O-N 3.41Å
276	T	86.9	Confident	88.5	Confident	7 Å²	7	33.4 Å²	33.4	4%	0.043	18%	0.184	C	C	.	.	B	Isolated β-bridge	trans	-111.8	148.3	-174.3	67	0	0	0	0	111.8	A169 P170 M272 M279	A169-T276 HydrophobicContact CB-CG2 4.07Å; P170-T276 WeakPolarHBondContact O-CA 3.31Å; P170-T276 WeakPolarHBondContact O-CB 3.47Å; M272-T276 HydrophobicContact CG-CG2 3.92Å; M272-T276 WeakPolarHBondContact O-CB 3.46Å; M272-T276 WeakPolarHBondContact O-CG2 3.36Å; M272-T276 PolarHBondContact O-N 2.94Å; M272-T276 PolarHBondContact O-OG1 2.83Å; T276-M279 VanDerWaalsContact OG1-CB 3.24Å; T276-M279 WeakPolarHBondContact OG1-CB 3.33Å
277	S	76.4	Confident	88.4	Confident	64 Å²	64	35.9 Å²	35.9	45%	0.448	20%	0.2	S	C	.	.	S	Bend	trans	-90.2	-19.1	-175.8	53.4	0	0	0	0	114.2	P170	P170-S277 PolarHBondContact O-N 3.29Å; P170-S277 VanDerWaalsContact O-N 3.12Å; P170-S277 PolarHBondContact O-OG 2.8Å
278	R	74.1	Confident	88.2	Confident	137 Å²	137	31.2 Å²	31.2	52%	0.517	18%	0.183	S	C	.	.	S	Bend	trans	-124.1	11.6	-169.8	-61.3	-171	-177.7	-166.4	-1.3	115.2	P170 G280 C281	P170-R278 HydrophobicContact CG-CB 4.33Å; P170-R278 HydrophobicContact CG-CG 4.12Å; R278-G280 PolarHBondContact O-N 2.84Å; R278-C281 VanDerWaalsContact C-SG 3.59Å; R278-C281 WeakPolarHBondContact CA-SG 3.39Å; R278-C281 PolarHBondContact O-N 3.29Å; R278-C281 PolarHBondContact O-SG 2.89Å; R278-C281 VanDerWaalsContact O-SG 3.39Å
279	M	82.7	Confident	87.9	Confident	15 Å²	15	32.1 Å²	32.1	7%	0.074	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.1	126.7	178.6	-178.3	167.8	177.2	0	0	110.5	Y111 K113 C160 L269 M272 E273 T276 C281	Y111-M279 HydrophobicContact CE2-CE 4.12Å; K113-M279 VanDerWaalsContact CE-O 3.25Å; K113-M279 WeakPolarHBondContact CE-O 3.19Å; C160-M279 WeakPolarHBondContact SG-CE 3.38Å; L269-M279 HydrophobicContact CD2-CE 4.33Å; M272-M279 HydrophobicContact CB-CE 4.48Å; M272-M279 HydrophobicContact CB-SD 3.79Å; M272-M279 HydrophobicContact CG-SD 3.52Å; M272-M279 VanDerWaalsContact CG-SD 3.52Å; M272-M279 HydrophobicContact SD-CE 4.29Å; M272-M279 HydrophobicContact SD-SD 3.8Å; E273-M279 HydrophobicContact CG-CE 4.23Å; E273-M279 HydrophobicContact CG-SD 4.05Å; T276-M279 VanDerWaalsContact OG1-CB 3.24Å; T276-M279 WeakPolarHBondContact OG1-CB 3.33Å; M279-C281 VanDerWaalsContact C-N 3.35Å; M279-C281 PolarHBondContact O-N 3.22Å
280	G	81.1	Confident	87.6	Confident	20 Å²	20	34.8 Å²	34.8	21%	0.206	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.4	18	177.6	0	0	0	0	0	115.5	R278	R278-G280 PolarHBondContact O-N 2.84Å
281	C	88	Confident	87.1	Confident	28 Å²	28	37.3 Å²	37.3	19%	0.189	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	145.4	172.7	66.2	0	0	0	0	111.9	R278 M279 L329 I331	R278-C281 VanDerWaalsContact C-SG 3.59Å; R278-C281 WeakPolarHBondContact CA-SG 3.39Å; R278-C281 PolarHBondContact O-N 3.29Å; R278-C281 PolarHBondContact O-SG 2.89Å; R278-C281 VanDerWaalsContact O-SG 3.39Å; M279-C281 VanDerWaalsContact C-N 3.35Å; M279-C281 PolarHBondContact O-N 3.22Å; C281-L329 HydrophobicContact CB-CD1 3.81Å; C281-I331 HydrophobicContact CB-CD1 4.45Å; C281-I331 HydrophobicContact CB-CG1 3.85Å
282	E	92.4	Very high	86.3	Confident	32 Å²	32	38.3 Å²	38.3	15%	0.15	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	129.8	172.6	-68.8	-175.2	-137.9	0	0	109.2	R109 F284 V330 L419	R109-E282 VanDerWaalsContact CG-OE1 3.24Å; R109-E282 WeakPolarHBondContact CG-OE1 3.49Å; R109-E282 IonicContact CZ-OE1 3.95Å; R109-E282 IonicContact CZ-OE2 2.73Å; R109-E282 IonicContact NE-OE1 3.08Å; R109-E282 PolarHBondContact NE-OE1 3.46Å; R109-E282 IonicContact NE-OE2 2.67Å; R109-E282 IonicContact NH2-OE1 3.37Å; R109-E282 IonicContact NH2-OE2 3.09Å; R109-E282 PolarHBondContact NH2-OE2 3.43Å; E282-F284 HydrophobicContact CB-CE2 3.71Å; E282-F284 HydrophobicContact CB-CZ 4.28Å; E282-V330 PolarHBondContact N-O 3.15Å; E282-V330 PolarHBondContact O-N 3.03Å; E282-L419 HydrophobicContact CB-CD2 3.67Å; E282-L419 HydrophobicContact CG-CD2 4.03Å; E282-L419 VanDerWaalsContact OE1-CD1 3.3Å; E282-L419 WeakPolarHBondContact OE1-CD1 3.37Å
283	L	91.3	Very high	84.4	Confident	48 Å²	48	43 Å²	43	25%	0.251	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	126.8	-178.1	179.5	74.6	0	0	0	108.8	Q327 V328 L329 W374	L283-Q327 HydrophobicContact CD1-CB 3.99Å; L283-Q327 HydrophobicContact CD1-CG 4.32Å; L283-V328 WeakPolarHBondContact CA-O 3.5Å; L283-L329 HydrophobicContact CB-CD1 4.43Å; L283-L329 HydrophobicContact CD1-CD1 4.31Å; L283-W374 HydrophobicContact CD1-CH2 3.63Å; L283-W374 HydrophobicContact CD1-CZ2 4.38Å
284	F	93.1	Very high	81.8	Confident	12 Å²	12	46.2 Å²	46.2	5%	0.053	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	140.3	177	-63.5	-95	0	0	0	109.6	E282 P286 V328 L407 E412 F416 L419	E282-F284 HydrophobicContact CB-CE2 3.71Å; E282-F284 HydrophobicContact CB-CZ 4.28Å; F284-P286 VanDerWaalsContact O-CD 3.29Å; F284-P286 WeakPolarHBondContact O-CD 3.33Å; F284-V328 HydrophobicContact CB-CB 4.5Å; F284-V328 PolarHBondContact N-O 3.15Å; F284-V328 PolarHBondContact O-N 2.83Å; F284-L407 HydrophobicContact CB-CD2 4.32Å; F284-L407 HydrophobicContact CD1-CD2 4.38Å; F284-E412 HydrophobicContact CD1-CG 4.17Å; F284-E412 HydrophobicContact CE1-CG 4.34Å; F284-F416 HydrophobicContact CD1-CB 4.2Å; F284-F416 HydrophobicContact CD1-CD2 4.02Å; F284-F416 AromaticContact CD2-CD2 3.6Å; F284-F416 HydrophobicContact CD2-CD2 3.6Å; F284-F416 HydrophobicContact CD2-CE2 4.1Å; F284-F416 HydrophobicContact CE1-CB 3.79Å; F284-F416 HydrophobicContact CE1-CD2 4.07Å; F284-F416 HydrophobicContact CE1-CG 4.44Å; F284-F416 AromaticContact CE2-CD2 3.66Å; F284-F416 HydrophobicContact CE2-CD2 3.66Å; F284-F416 HydrophobicContact CE2-CE2 4.38Å; F284-F416 AromaticContact CG-CD2 3.79Å; F284-F416 HydrophobicContact CG-CD2 3.79Å; F284-F416 HydrophobicContact CG-CE2 4.45Å; F284-F416 HydrophobicContact CZ-CB 4.05Å; F284-F416 AromaticContact CZ-CD2 3.9Å; F284-F416 HydrophobicContact CZ-CD2 3.9Å; F284-F416 HydrophobicContact CZ-CG 4.49Å; F284-L419 HydrophobicContact CE2-CD2 3.9Å; F284-L419 HydrophobicContact CZ-CD2 4.29Å
285	E	91.6	Very high	79.5	Confident	76 Å²	76	48 Å²	48	36%	0.355	25%	0.251	S	S	.	.			trans	-114.4	81.5	177.4	-58.5	-158.9	151.5	0	0	108.7	Q327 K341	E285-Q327 HydrophobicContact CG-CG 4.29Å; E285-Q327 PolarHBondContact OE1-NE2 2.71Å; E285-K341 IonicContact OE1-NZ 2.7Å; E285-K341 PolarHBondContact OE1-NZ 3.19Å; E285-K341 IonicContact OE2-NZ 3.09Å; E285-K341 PolarHBondContact OE2-NZ 3.07Å
286	P	91.1	Very high	76.8	Confident	5 Å²	5	52.5 Å²	52.5	3%	0.032	27%	0.272	C	S	.	.			trans	-65.6	146.6	-179	29.3	-36.1	0	0	0	111.1	F284 S288 L289 M326 V328 L405 Q406 L407	F284-P286 VanDerWaalsContact O-CD 3.29Å; F284-P286 WeakPolarHBondContact O-CD 3.33Å; P286-S288 VanDerWaalsContact C-N 3.27Å; P286-S288 PolarHBondContact O-N 3.39Å; P286-L289 HydrophobicContact CG-CB 4.28Å; P286-M326 HydrophobicContact CG-CB 4.46Å; P286-V328 HydrophobicContact CG-CG2 3.96Å; P286-L405 HydrophobicContact CB-CD2 4.31Å; P286-L405 HydrophobicContact CG-CD2 4.11Å; P286-Q406 CarbonylContact C-O 3.6Å; P286-Q406 WeakPolarHBondContact CA-O 3.3Å; P286-Q406 WeakPolarHBondContact CB-O 3.36Å; P286-L407 HydrophobicContact CB-CD2 4.22Å
287	V	89.4	Confident	74	Confident	71 Å²	71	57.7 Å²	57.7	43%	0.43	30%	0.299	S	S	.	.	S	Bend	trans	-61.4	-40.1	173	-178.5	0	0	0	0	110.3	Q406 L408	V287-Q406 HydrophobicContact CB-CB 4.44Å; V287-Q406 HydrophobicContact CB-CG 4.41Å; V287-Q406 PolarHBondContact N-O 3.3Å; V287-L408 HydrophobicContact CG2-CD2 3.73Å; V287-L408 HydrophobicContact CG2-CG 4.49Å
288	S	87.5	Confident	71.7	Confident	25 Å²	25	57 Å²	57	18%	0.175	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	145.1	173.5	68	0	0	0	0	110.9	P286 Q406	P286-S288 VanDerWaalsContact C-N 3.27Å; P286-S288 PolarHBondContact O-N 3.39Å; S288-Q406 PolarHBondContact O-N 3.49Å; S288-Q406 WeakPolarHBondContact OG-CB 3.34Å; S288-Q406 PolarHBondContact OG-OE1 3.49Å; S288-Q406 VanDerWaalsContact OG-OE1 3.05Å
289	L	89.1	Confident	69.8	Low	19 Å²	19	57 Å²	57	10%	0.099	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	122.9	176.4	173.1	71	0	0	0	108.2	P286 M326 V328 W338 M403 E404 L405	P286-L289 HydrophobicContact CG-CB 4.28Å; L289-M326 HydrophobicContact CB-CB 4.11Å; L289-M326 HydrophobicContact CB-CG 4.18Å; L289-M326 HydrophobicContact CD2-CB 4.16Å; L289-M326 HydrophobicContact CD2-CG 4.26Å; L289-V328 HydrophobicContact CD1-CG2 4.32Å; L289-V328 HydrophobicContact CD2-CG2 4.31Å; L289-W338 HydrophobicContact CD2-CB 3.95Å; L289-W338 HydrophobicContact CD2-CD2 3.88Å; L289-W338 HydrophobicContact CD2-CE3 3.67Å; L289-W338 HydrophobicContact CD2-CG 4.01Å; L289-W338 HydrophobicContact CD2-CZ3 4.47Å; L289-M403 HydrophobicContact CD1-CE 4.14Å; L289-M403 HydrophobicContact CD1-CG 3.77Å; L289-M403 HydrophobicContact CD1-SD 4.13Å; L289-E404 WeakPolarHBondContact CA-O 3.35Å; L289-L405 HydrophobicContact CD1-CD2 3.36Å; L289-L405 HydrophobicContact CD1-CG 4.05Å
290	V	86.1	Confident	67.2	Low	56 Å²	56	60.4 Å²	60.4	34%	0.339	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	129.1	177.4	179	0	0	0	0	108.9	T292 E404	V290-T292 HydrophobicContact CG1-CG2 3.83Å; V290-E404 HydrophobicContact CB-CB 4.34Å; V290-E404 PolarHBondContact N-O 3.13Å; V290-E404 PolarHBondContact O-N 2.63Å
291	I	82.9	Confident	64.6	Low	67 Å²	67	62.9 Å²	62.9	34%	0.344	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	117.5	173.4	-60.7	175.1	0	0	0	107.2	W338 F377 K402 M403	I291-W338 HydrophobicContact CD1-CD2 4.09Å; I291-W338 VanDerWaalsContact CD1-CE2 3.42Å; I291-W338 HydrophobicContact CD1-CG 4.34Å; I291-W338 HydrophobicContact CD1-CZ2 3.75Å; I291-W338 VanDerWaalsContact CD1-NE1 3.28Å; I291-F377 HydrophobicContact CD1-CD2 4.4Å; I291-F377 HydrophobicContact CG2-CD2 4.5Å; I291-F377 HydrophobicContact CG2-CE2 4.19Å; I291-K402 WeakPolarHBondContact CA-O 3.38Å; I291-M403 HydrophobicContact CD1-CE 3.92Å; I291-M403 HydrophobicContact CG1-CE 4.22Å
292	T	73.7	Confident	61.6	Low	51 Å²	51	71.8 Å²	71.8	31%	0.313	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	148.7	-178.5	38.3	0	0	0	0	110.3	V290 K402	V290-T292 HydrophobicContact CG1-CG2 3.83Å; T292-K402 PolarHBondContact N-O 3.44Å; T292-K402 PolarHBondContact O-N 3.25Å; T292-K402 WeakPolarHBondContact OG1-CE 3.31Å; T292-K402 WeakPolarHBondContact OG1-CG 3.25Å
293	Q	51.4	Low	58.5	Low	99 Å²	99	79.5 Å²	79.5	46%	0.463	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	120.3	169.8	-175.5	167.9	-4.9	0	0	106.3	K295 K401	Q293-K295 PolarHBondContact O-N 3.02Å; Q293-K401 HydrophobicContact CB-CG 4.25Å; Q293-K401 HydrophobicContact CG-CG 4.03Å
294	E	35.2	Very low	55.2	Low	88 Å²	88	80.6 Å²	80.6	41%	0.411	45%	0.452	S	S	.	.			trans	-68.1	94.4	179.5	-77.6	-174.9	164	0	0	110.5	N400	E294-N400 HydrophobicContact CB-CB 4.37Å; E294-N400 PolarHBondContact N-O 3.44Å; E294-N400 VanDerWaalsContact N-O 3.14Å
295	K	36.7	Very low	52	Low	87 Å²	87	89.4 Å²	89.4	38%	0.378	49%	0.486	S	S	.	.			trans	-121.1	141.2	148.1	-80.2	-172.8	175.7	-179.9	0	108.3	Q293 E916	Q293-K295 PolarHBondContact O-N 3.02Å; K295-E916 WeakPolarHBondContact CE-OE2 3.46Å; K295-E916 IonicContact NZ-OE2 2.73Å; K295-E916 PolarHBondContact NZ-OE2 2.76Å
296	E	32.6	Very low	48.8	Very low	96 Å²	96	96 Å²	96	45%	0.449	51%	0.51	S	S	.	.			trans	-34.7	133.6	-165.6	-62.7	-174	147.6	0	0	115.5	R738 R910	E296-R738 IonicContact OE1-CZ 3.13Å; E296-R738 IonicContact OE1-NH1 3.18Å; E296-R738 IonicContact OE1-NH2 2.89Å; E296-R738 PolarHBondContact OE1-NH2 2.88Å; E296-R738 VanDerWaalsContact OE1-NH2 3.08Å; E296-R738 IonicContact OE2-NH1 2.72Å; E296-R910 IonicContact OE2-CZ 3.29Å; E296-R910 IonicContact OE2-NE 3.47Å; E296-R910 PolarHBondContact OE2-NE 3.12Å; E296-R910 VanDerWaalsContact OE2-NE 3.09Å; E296-R910 IonicContact OE2-NH2 2.92Å
297	L	27.7	Very low	45.6	Very low	115 Å²	115	102.6 Å²	102.6	60%	0.602	55%	0.545	S	S	*	.			trans	-101.2	111.2	163	-49.4	138.6	0	0	0	110	I875	L297-I875 HydrophobicContact CB-CB 4.07Å; L297-I875 HydrophobicContact CB-CD1 3.77Å; L297-I875 HydrophobicContact CB-CG1 3.03Å; L297-I875 HydrophobicContact CB-CG2 3.81Å; L297-I875 HydrophobicContact CD1-CD1 3.81Å; L297-I875 HydrophobicContact CD1-CG1 3.75Å; L297-I875 HydrophobicContact CD2-CB 4.12Å; L297-I875 HydrophobicContact CD2-CD1 4.44Å; L297-I875 HydrophobicContact CD2-CG1 3.55Å; L297-I875 HydrophobicContact CD2-CG2 3.6Å; L297-I875 HydrophobicContact CG-CD1 4.18Å; L297-I875 HydrophobicContact CG-CG1 3.57Å; L297-I875 HydrophobicContact CG-CG2 4.29Å
298	S	28.9	Very low	42.5	Very low	50 Å²	50	108.8 Å²	108.8	35%	0.35	57%	0.569	S	S	.	*			trans	-179.9	112.8	144.7	20.1	0	0	0	0	109.1	R910	S298-R910 PolarHBondContact O-NH2 3.48Å; S298-R910 PolarHBondContact OG-NH2 3.43Å
299	N	34.5	Very low	39.5	Very low	138 Å²	138	112.4 Å²	112.4	74%	0.738	59%	0.594	S	S	*	*			trans	-136.7	102.2	154.6	-89.4	-9.6	0	0	0	107
300	G	27.8	Very low	36.5	Very low	86 Å²	86	120.2 Å²	120.2	89%	0.887	63%	0.63	S	S	*	*			trans	-77.8	135.1	161.1	0	0	0	0	0	108.8
301	G	26.4	Very low	33.6	Very low	72 Å²	72	125.8 Å²	125.8	74%	0.742	66%	0.657	S	S	*	*			trans	-97.5	162	-173	0	0	0	0	0	114.5
302	Y	25	Very low	30.9	Very low	215 Å²	215	131.6 Å²	131.6	84%	0.843	68%	0.682	S	S	*	*			trans	-139.3	109.1	154.4	-123.7	-93	0	0	0	110.1
303	Y	25.7	Very low	28.6	Very low	193 Å²	193	134.8 Å²	134.8	76%	0.757	70%	0.702	S	S	*	*			trans	32.6	136.8	157.9	-70.9	-88.5	0	0	0	121.4	Y305	Y303-Y305 HydrophobicContact CD1-CD2 4.35Å; Y303-Y305 HydrophobicContact CE1-CD2 4.4Å; Y303-Y305 HydrophobicContact CE1-CE2 4.16Å
304	G	23.6	Very low	27.4	Very low	71 Å²	71	139.5 Å²	139.5	73%	0.732	72%	0.721	S	S	*	*				-169	158.8	58.3	0	0	0	0	0	117.2
305	Y	25.8	Very low	26.9	Very low	198 Å²	198	141.9 Å²	141.9	78%	0.776	75%	0.746	S	S	*	*			trans	-49.5	134.3	174.9	-83.8	-108.2	0	0	0	113.3	Y303	Y303-Y305 HydrophobicContact CD1-CD2 4.35Å; Y303-Y305 HydrophobicContact CE1-CD2 4.4Å; Y303-Y305 HydrophobicContact CE1-CE2 4.16Å
306	Y	23.2	Very low	26.3	Very low	215 Å²	215	146.1 Å²	146.1	84%	0.843	77%	0.767	S	S	*	*				-170	128.8	127.8	-93	-66.7	0	0	0	112
307	N	24.4	Very low	25.9	Very low	143 Å²	143	147.7 Å²	147.7	77%	0.765	78%	0.779	S	S	*	*			trans	65.3	91.2	152.9	-62.9	-10.4	0	0	0	121.6
308	Q	24.5	Very low	26	Very low	201 Å²	201	150.8 Å²	150.8	94%	0.939	79%	0.79	S	S	*	*			trans	-61.6	116.6	138.7	-102.5	174.6	-3.4	0	0	110.4
309	S	23.6	Very low	25.9	Very low	100 Å²	100	154 Å²	154	70%	0.699	80%	0.803	S	S	*	*			trans	-179.3	129.4	134.6	54.5	0	0	0	0	110.7
310	Q	27.4	Very low	26.1	Very low	184 Å²	184	152.7 Å²	152.7	86%	0.86	80%	0.796	S	S	*	*			trans	77.6	91.8	164.4	-57.9	-179.4	-3.8	0	0	117.3
311	L	25.1	Very low	26.3	Very low	173 Å²	173	156.9 Å²	156.9	91%	0.906	79%	0.792	S	S	*	*				-171.4	70.1	128.3	-97.5	146.4	0	0	0	108.6
312	Q	25	Very low	26.9	Very low	188 Å²	188	157.3 Å²	157.3	88%	0.879	79%	0.789	S	S	*	*			trans	-89.6	90.4	164	-113.4	-177.4	-2	0	0	107.9
313	T	25.7	Very low	27.9	Very low	119 Å²	119	148.1 Å²	148.1	73%	0.73	76%	0.756	S	S	*	*	S	Bend	trans	-159.9	108.2	152.5	1	0	0	0	0	111.9
314	K	27.5	Very low	29.2	Very low	197 Å²	197	143 Å²	143	86%	0.857	75%	0.748	S	S	*	*	S	Bend	trans	70.7	74.5	159.6	-60.7	-180	177.3	179.5	0	117.8
315	C	23.3	Very low	31.6	Very low	139 Å²	139	144.3 Å²	144.3	94%	0.939	74%	0.738	S	S	*	*			trans	-165	101.1	140.2	-95.3	0	0	0	0	109.9
316	Q	24.7	Very low	34.5	Very low	176 Å²	176	135.2 Å²	135.2	82%	0.822	70%	0.703	S	S	*	*			trans	-141.3	130.7	168.4	-87.2	-174.9	-16.5	0	0	102.7
317	N	24.5	Very low	37.7	Very low	129 Å²	129	125.5 Å²	125.5	69%	0.69	67%	0.665	S	S	*	*			cis	-161.2	136.8	18.7	-77.7	-32.5	0	0	0	108
318	Q	29.1	Very low	41	Very low	179 Å²	179	118.7 Å²	118.7	84%	0.836	63%	0.629	S	S	*	*			trans	-143.4	24.7	151.4	-91.9	-165.4	8.3	0	0	112.8
319	N	27.8	Very low	44.3	Very low	117 Å²	117	109.9 Å²	109.9	63%	0.626	59%	0.588	S	S	*	*	S	Bend	trans	-91	102.5	152.8	-76.3	-19.8	0	0	0	106.2	E321	N319-E321 VanDerWaalsContact C-N 3.33Å; N319-E321 PolarHBondContact O-N 3.39Å
320	L	37.6	Very low	47.7	Very low	111 Å²	111	105.1 Å²	105.1	58%	0.581	56%	0.555	S	S	*	*			trans	-78	89.9	174.6	-96.8	132	0	0	0	108.6	M326	L320-M326 HydrophobicContact CD2-CE 3.34Å
321	E	32.2	Very low	50.7	Low	175 Å²	175	97.5 Å²	97.5	82%	0.818	52%	0.52	S	S	*	.			trans	-48.9	148.2	151.7	-68.3	179.1	157.6	0	0	109.3	N319 S323	N319-E321 VanDerWaalsContact C-N 3.33Å; N319-E321 PolarHBondContact O-N 3.39Å; E321-S323 PolarHBondContact O-N 3.32Å
322	A	38.6	Very low	53.6	Low	80 Å²	80	89.4 Å²	89.4	66%	0.661	48%	0.478	S	S	*	.			trans	-39.1	93.6	-179.3	0	0	0	0	0	112.7	S324	A322-S324 PolarHBondContact O-N 3.05Å
323	S	46	Very low	56.4	Low	22 Å²	22	83 Å²	83	15%	0.154	45%	0.452	C	S	.	.			trans	-85.9	109.7	-178.2	171.3	0	0	0	0	108.1	E321	E321-S323 PolarHBondContact O-N 3.32Å
324	S	53.8	Low	59.1	Low	86 Å²	86	80.7 Å²	80.7	60%	0.601	44%	0.438	S	S	*	.	S	Bend	trans	-55.7	141.2	153.1	49	0	0	0	0	108.3	A322	A322-S324 PolarHBondContact O-N 3.05Å
325	D	73	Confident	62	Low	98 Å²	98	71.3 Å²	71.3	52%	0.524	40%	0.397	S	S	.	.			trans	87.9	47.7	-176.1	-58	-35.1	0	0	0	117.3	K341	D325-K341 HydrophobicContact CB-CB 4Å; D325-K341 VanDerWaalsContact O-CB 3.31Å; D325-K341 WeakPolarHBondContact O-CB 3.07Å; D325-K341 PolarHBondContact O-N 2.74Å
326	M	86.8	Confident	65.3	Low	8 Å²	8	64.7 Å²	64.7	4%	0.039	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	153.8	168.6	-69.9	-67.8	-177.3	0	0	112.4	P286 L289 L320 W338 Q340	P286-M326 HydrophobicContact CG-CB 4.46Å; L289-M326 HydrophobicContact CB-CB 4.11Å; L289-M326 HydrophobicContact CB-CG 4.18Å; L289-M326 HydrophobicContact CD2-CB 4.16Å; L289-M326 HydrophobicContact CD2-CG 4.26Å; L320-M326 HydrophobicContact CD2-CE 3.34Å; M326-W338 HydrophobicContact CE-CZ3 4.12Å; M326-W338 HydrophobicContact SD-CE3 4.08Å; M326-W338 HydrophobicContact SD-CZ3 4.02Å; M326-Q340 HydrophobicContact CE-CB 4.46Å; M326-Q340 HydrophobicContact CE-CG 4.48Å; M326-Q340 HydrophobicContact SD-CB 4.09Å; M326-Q340 HydrophobicContact SD-CG 4.37Å
327	Q	91.7	Very high	68.6	Low	10 Å²	10	56.6 Å²	56.6	5%	0.047	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	136.3	176.2	-75.7	-171.8	-27.6	0	0	110.3	L283 E285 W338 R339 K341 W374	L283-Q327 HydrophobicContact CD1-CB 3.99Å; L283-Q327 HydrophobicContact CD1-CG 4.32Å; E285-Q327 HydrophobicContact CG-CG 4.29Å; E285-Q327 PolarHBondContact OE1-NE2 2.71Å; Q327-W338 CarbonylContact O-C 3.45Å; Q327-W338 WeakPolarHBondContact O-CA 3.46Å; Q327-R339 HydrophobicContact CB-CG 4.16Å; Q327-R339 PolarHBondContact N-O 3.14Å; Q327-R339 PolarHBondContact O-N 3.47Å; Q327-R339 VanDerWaalsContact OE1-NE 3.15Å; Q327-R339 VanDerWaalsContact OE1-NH2 3.17Å; Q327-K341 HydrophobicContact CG-CB 4.29Å; Q327-K341 HydrophobicContact CG-CG 4.4Å; Q327-W374 HydrophobicContact CB-CH2 4.1Å; Q327-W374 HydrophobicContact CB-CZ3 4.37Å
328	V	93.3	Very high	71.8	Confident	0 Å²	0	53 Å²	53	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	129.2	177.7	180	0	0	0	0	109	L283 F284 P286 L289 I336 S337 W338 L405 F416	L283-V328 WeakPolarHBondContact CA-O 3.5Å; F284-V328 HydrophobicContact CB-CB 4.5Å; F284-V328 PolarHBondContact N-O 3.15Å; F284-V328 PolarHBondContact O-N 2.83Å; P286-V328 HydrophobicContact CG-CG2 3.96Å; L289-V328 HydrophobicContact CD1-CG2 4.32Å; L289-V328 HydrophobicContact CD2-CG2 4.31Å; V328-I336 HydrophobicContact CG1-CG2 4.09Å; V328-S337 CarbonylContact C-O 3.51Å; V328-S337 WeakPolarHBondContact CA-O 3.35Å; V328-W338 HydrophobicContact CG2-CB 4.14Å; V328-L405 HydrophobicContact CB-CD2 4.44Å; V328-L405 HydrophobicContact CG1-CD2 4.46Å; V328-L405 HydrophobicContact CG2-CD2 3.63Å; V328-F416 HydrophobicContact CG1-CE2 4.21Å
329	L	93.6	Very high	74.7	Confident	17 Å²	17	46.8 Å²	46.8	9%	0.089	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	130.5	-174.6	-175.5	68.4	0	0	0	109.7	C281 L283 I331 S337 W374	C281-L329 HydrophobicContact CB-CD1 3.81Å; L283-L329 HydrophobicContact CB-CD1 4.43Å; L283-L329 HydrophobicContact CD1-CD1 4.31Å; L329-I331 HydrophobicContact CD2-CD1 3.7Å; L329-I331 HydrophobicContact CD2-CG1 4.19Å; L329-I331 HydrophobicContact CG-CD1 4.07Å; L329-I331 HydrophobicContact CG-CG1 3.98Å; L329-S337 PolarHBondContact N-O 2.88Å; L329-S337 PolarHBondContact O-N 3.35Å; L329-W374 HydrophobicContact CB-CE3 3.9Å; L329-W374 HydrophobicContact CB-CH2 3.57Å; L329-W374 HydrophobicContact CB-CZ2 4.19Å; L329-W374 HydrophobicContact CB-CZ3 3.39Å; L329-W374 HydrophobicContact CD2-CD2 4Å; L329-W374 HydrophobicContact CD2-CE3 4.23Å; L329-W374 HydrophobicContact CD2-CH2 4.04Å; L329-W374 HydrophobicContact CD2-CZ2 3.77Å; L329-W374 HydrophobicContact CD2-CZ3 4.25Å; L329-W374 HydrophobicContact CG-CH2 4.29Å; L329-W374 HydrophobicContact CG-CZ2 4.46Å; L329-W374 HydrophobicContact CG-CZ3 4.43Å
330	V	94.4	Very high	77.3	Confident	0 Å²	0	47.1 Å²	47.1	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	124.4	176.4	-174.4	0	0	0	0	109.2	E282 I336 F380 F416 L419 Y423	E282-V330 PolarHBondContact N-O 3.15Å; E282-V330 PolarHBondContact O-N 3.03Å; V330-I336 HydrophobicContact CG2-CG1 4.46Å; V330-F380 HydrophobicContact CG1-CE1 4.11Å; V330-F380 HydrophobicContact CG1-CZ 3.85Å; V330-F416 HydrophobicContact CG2-CE2 3.87Å; V330-L419 HydrophobicContact CB-CD2 3.7Å; V330-L419 HydrophobicContact CG1-CD2 3.8Å; V330-L419 HydrophobicContact CG1-CG 4.09Å; V330-L419 HydrophobicContact CG2-CD2 4.16Å; V330-Y423 HydrophobicContact CG1-CD2 4.01Å; V330-Y423 HydrophobicContact CG1-CE2 4.12Å
331	I	90.5	Very high	79.3	Confident	24 Å²	24	45.6 Å²	45.6	12%	0.123	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	134.7	179.6	-53.7	175.2	0	0	0	108.8	C281 L329 T333 T334 G335	C281-I331 HydrophobicContact CB-CD1 4.45Å; C281-I331 HydrophobicContact CB-CG1 3.85Å; L329-I331 HydrophobicContact CD2-CD1 3.7Å; L329-I331 HydrophobicContact CD2-CG1 4.19Å; L329-I331 HydrophobicContact CG-CD1 4.07Å; L329-I331 HydrophobicContact CG-CG1 3.98Å; I331-T333 WeakPolarHBondContact CG2-OG1 3.37Å; I331-T333 PolarHBondContact O-N 3.32Å; I331-T333 VanDerWaalsContact O-N 3.17Å; I331-T334 WeakPolarHBondContact CB-OG1 3.24Å; I331-T334 PolarHBondContact O-N 3.13Å; I331-G335 PolarHBondContact N-O 2.66Å; I331-G335 PolarHBondContact O-N 3.46Å
332	G	85.8	Confident	81.3	Confident	2 Å²	2	41.3 Å²	41.3	2%	0.021	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-27.6	-179.4	0	0	0	0	0	115.1	I427	G332-I427 WeakPolarHBondContact O-CD1 3.44Å
333	T	83.8	Confident	82	Confident	54 Å²	54	41.9 Å²	41.9	33%	0.331	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.3	-23.8	-177.9	52.3	0	0	0	0	114.7	F112 V125 I331	F112-T333 HydrophobicContact CD1-CG2 4.35Å; V125-T333 HydrophobicContact CG2-CG2 4.38Å; I331-T333 WeakPolarHBondContact CG2-OG1 3.37Å; I331-T333 PolarHBondContact O-N 3.32Å; I331-T333 VanDerWaalsContact O-N 3.17Å
334	T	82.6	Confident	81.7	Confident	70 Å²	70	45.6 Å²	45.6	43%	0.429	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-120.7	-6.8	-174.6	60.6	0	0	0	0	114.4	I331	I331-T334 WeakPolarHBondContact CB-OG1 3.24Å; I331-T334 PolarHBondContact O-N 3.13Å
335	G	89.3	Confident	80.7	Confident	0 Å²	0	47.5 Å²	47.5	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	86.8	-140.5	177.5	0	0	0	0	0	113.5	I331	I331-G335 PolarHBondContact N-O 2.66Å; I331-G335 PolarHBondContact O-N 3.46Å
336	I	93.2	Very high	78.7	Confident	0 Å²	0	48 Å²	48	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	123	-176.2	-54.3	177.2	0	0	0	109.2	V328 V330 F377 C378 F380 I383 I395 M403 V420	V328-I336 HydrophobicContact CG1-CG2 4.09Å; V330-I336 HydrophobicContact CG2-CG1 4.46Å; I336-F377 WeakPolarHBondContact O-CA 3.19Å; I336-F377 WeakPolarHBondContact O-CB 3.27Å; I336-F377 PolarHBondContact O-N 3.5Å; I336-C378 PolarHBondContact N-O 2.8Å; I336-C378 PolarHBondContact O-N 3.06Å; I336-F380 HydrophobicContact CG1-CE1 4.24Å; I336-I383 HydrophobicContact CD1-CD1 3.97Å; I336-I395 HydrophobicContact CD1-CD1 3.61Å; I336-M403 HydrophobicContact CG2-SD 4.26Å; I336-V420 HydrophobicContact CD1-CG1 4.1Å; I336-V420 HydrophobicContact CD1-CG2 3.95Å
337	S	92.4	Very high	75.9	Confident	7 Å²	7	54.4 Å²	54.4	5%	0.049	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	157.7	178.3	-63.1	0	0	0	0	111.1	V328 L329 V375	V328-S337 CarbonylContact C-O 3.51Å; V328-S337 WeakPolarHBondContact CA-O 3.35Å; L329-S337 PolarHBondContact N-O 2.88Å; L329-S337 PolarHBondContact O-N 3.35Å; S337-V375 CarbonylContact C-O 3.56Å; S337-V375 VanDerWaalsContact CA-O 3.25Å; S337-V375 WeakPolarHBondContact CA-O 3.5Å
338	W	92.3	Very high	72.8	Confident	52 Å²	52	61.3 Å²	61.3	20%	0.197	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	159	177.4	68.1	-79.5	0	0	0	111.6	L289 I291 M326 Q327 V328 V375 M403	L289-W338 HydrophobicContact CD2-CB 3.95Å; L289-W338 HydrophobicContact CD2-CD2 3.88Å; L289-W338 HydrophobicContact CD2-CE3 3.67Å; L289-W338 HydrophobicContact CD2-CG 4.01Å; L289-W338 HydrophobicContact CD2-CZ3 4.47Å; I291-W338 HydrophobicContact CD1-CD2 4.09Å; I291-W338 VanDerWaalsContact CD1-CE2 3.42Å; I291-W338 HydrophobicContact CD1-CG 4.34Å; I291-W338 HydrophobicContact CD1-CZ2 3.75Å; I291-W338 VanDerWaalsContact CD1-NE1 3.28Å; M326-W338 HydrophobicContact CE-CZ3 4.12Å; M326-W338 HydrophobicContact SD-CE3 4.08Å; M326-W338 HydrophobicContact SD-CZ3 4.02Å; Q327-W338 CarbonylContact O-C 3.45Å; Q327-W338 WeakPolarHBondContact O-CA 3.46Å; V328-W338 HydrophobicContact CG2-CB 4.14Å; W338-V375 HydrophobicContact CZ2-CB 4.39Å; W338-V375 HydrophobicContact CZ2-CG1 4.32Å; W338-V375 PolarHBondContact N-O 2.86Å; W338-V375 PolarHBondContact O-N 2.86Å; W338-M403 HydrophobicContact CG-CE 4.31Å
339	R	89.3	Confident	69.7	Low	49 Å²	49	67 Å²	67	19%	0.185	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.3	165.6	172.8	71	178.7	-176.2	-174.7	-0.9	111.7	Q327 D372 G373 W374	Q327-R339 HydrophobicContact CB-CG 4.16Å; Q327-R339 PolarHBondContact N-O 3.14Å; Q327-R339 PolarHBondContact O-N 3.47Å; Q327-R339 VanDerWaalsContact OE1-NE 3.15Å; Q327-R339 VanDerWaalsContact OE1-NH2 3.17Å; R339-D372 PolarHBondContact NH1-O 2.84Å; R339-G373 WeakPolarHBondContact CB-O 3.17Å; R339-W374 HydrophobicContact CB-CD2 4.45Å; R339-W374 HydrophobicContact CB-CE3 4.04Å; R339-W374 HydrophobicContact CB-CZ3 4.3Å; R339-W374 HydrophobicContact CG-CD2 4.13Å; R339-W374 HydrophobicContact CG-CE3 3.78Å; R339-W374 HydrophobicContact CG-CH2 3.88Å; R339-W374 HydrophobicContact CG-CZ2 4.23Å; R339-W374 HydrophobicContact CG-CZ3 3.65Å; R339-W374 VanDerWaalsContact NE-CZ2 3.28Å
340	Q	83.9	Confident	66.7	Low	124 Å²	124	76.1 Å²	76.1	58%	0.579	44%	0.437	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.2	138	167	-165.1	174.6	18.1	0	0	110.5	M326 P342	M326-Q340 HydrophobicContact CE-CB 4.46Å; M326-Q340 HydrophobicContact CE-CG 4.48Å; M326-Q340 HydrophobicContact SD-CB 4.09Å; M326-Q340 HydrophobicContact SD-CG 4.37Å; Q340-P342 WeakPolarHBondContact O-CD 3.37Å
341	K	79.8	Confident	63.5	Low	80 Å²	80	84 Å²	84	35%	0.348	48%	0.479	S	S	.	.	P	Polyproline II helix	trans	-62.6	126.2	-179.5	-169.5	170.2	-178.7	165.4	0	109.9	E285 D325 Q327 A343	E285-K341 IonicContact OE1-NZ 2.7Å; E285-K341 PolarHBondContact OE1-NZ 3.19Å; E285-K341 IonicContact OE2-NZ 3.09Å; E285-K341 PolarHBondContact OE2-NZ 3.07Å; D325-K341 HydrophobicContact CB-CB 4Å; D325-K341 VanDerWaalsContact O-CB 3.31Å; D325-K341 WeakPolarHBondContact O-CB 3.07Å; D325-K341 PolarHBondContact O-N 2.74Å; Q327-K341 HydrophobicContact CG-CB 4.29Å; Q327-K341 HydrophobicContact CG-CG 4.4Å; K341-A343 PolarHBondContact O-N 3.12Å
342	P	73.8	Confident	60.7	Low	84 Å²	84	92.8 Å²	92.8	55%	0.545	52%	0.516	S	S	.	.	P	Polyproline II helix	trans	-63.8	134.5	177.1	-20.5	31.5	0	0	0	111.5	Q340 A344	Q340-P342 WeakPolarHBondContact O-CD 3.37Å; P342-A344 PolarHBondContact O-N 3.24Å
343	A	53	Low	57.9	Low	93 Å²	93	98.4 Å²	98.4	77%	0.769	56%	0.555	S	S	*	*	P	Polyproline II helix	trans	-62.5	132	175.5	0	0	0	0	0	110.9	K341 V345	K341-A343 PolarHBondContact O-N 3.12Å; A343-V345 PolarHBondContact O-N 3.08Å; A343-V345 VanDerWaalsContact O-N 3.12Å
344	A	39.7	Very low	55.4	Low	99 Å²	99	105.9 Å²	105.9	82%	0.818	58%	0.583	S	S	*	*			trans	-64.4	112.7	176.5	0	0	0	0	0	109.9	P342 P346	P342-A344 PolarHBondContact O-N 3.24Å; A344-P346 WeakPolarHBondContact O-CD 3.46Å
345	V	32.9	Very low	52.7	Low	127 Å²	127	108.5 Å²	108.5	77%	0.77	60%	0.604	S	S	*	*			trans	-70.8	121.4	176.5	-176.2	0	0	0	0	108.9	A343 V347	A343-V345 PolarHBondContact O-N 3.08Å; A343-V345 VanDerWaalsContact O-N 3.12Å; V345-V347 PolarHBondContact O-N 3.08Å
346	P	30.4	Very low	49.9	Very low	107 Å²	107	118.5 Å²	118.5	70%	0.695	65%	0.648	S	S	*	*			trans	-67.8	122	172.4	-12.7	27.2	0	0	0	109.4	A344 M348	A344-P346 WeakPolarHBondContact O-CD 3.46Å; P346-M348 PolarHBondContact O-N 3.04Å
347	V	28.8	Very low	46.7	Very low	143 Å²	143	124.4 Å²	124.4	87%	0.867	69%	0.689	S	S	*	*			trans	-73	94	173.8	-178.9	0	0	0	0	108.5	V345	V345-V347 PolarHBondContact O-N 3.08Å
348	M	25.2	Very low	43.7	Very low	156 Å²	156	133.7 Å²	133.7	77%	0.768	73%	0.728	S	S	*	*	P	Polyproline II helix	trans	-85.8	133.3	166.5	-74.6	-77.6	-87	0	0	109.6	P346 K350	P346-M348 PolarHBondContact O-N 3.04Å; M348-K350 PolarHBondContact O-N 2.47Å
349	P	28.2	Very low	40.6	Very low	119 Å²	119	140 Å²	140	77%	0.773	76%	0.76	S	S	*	*	P	Polyproline II helix	trans	-72.6	118.1	179.3	29.1	-30.8	0	0	0	109.5
350	K	31.9	Very low	37.6	Very low	209 Å²	209	145 Å²	145	91%	0.909	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-87.8	120.9	173.7	-82.5	-173.7	176.4	177.4	0	111	M348	M348-K350 PolarHBondContact O-N 2.47Å
351	D	26.7	Very low	34.9	Very low	164 Å²	164	148.2 Å²	148.2	88%	0.877	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-60.5	148.3	172	-90.5	-44.4	0	0	0	113.4
352	K	32.6	Very low	32.6	Very low	209 Å²	209	153.9 Å²	153.9	91%	0.909	83%	0.83	S	S	*	*	P	Polyproline II helix	trans	-73	122.5	179.4	-68.3	172.7	178	170.6	0	110.9
353	S	26.4	Very low	30.4	Very low	120 Å²	120	159.3 Å²	159.3	84%	0.839	85%	0.848	S	S	*	*			trans	-140.2	133.8	150	67.1	0	0	0	0	111
354	K	30.7	Very low	29.1	Very low	212 Å²	212	164.4 Å²	164.4	92%	0.922	85%	0.853	S	S	*	*			trans	-87.2	138.7	-173.7	-69.8	169	173.8	170.4	0	110.2
355	S	27.2	Very low	28.4	Very low	124 Å²	124	166.9 Å²	166.9	87%	0.867	85%	0.852	S	S	*	*			trans	-154.5	142	135.7	67	0	0	0	0	110.4
356	K	29.9	Very low	27.9	Very low	211 Å²	211	172.4 Å²	172.4	92%	0.917	86%	0.859	S	S	*	*			trans	-92.4	143.3	-175.2	-74.8	170.8	170.3	173.7	0	110
357	S	26	Very low	27.6	Very low	123 Å²	123	174.8 Å²	174.8	86%	0.86	87%	0.866	S	S	*	*				-150.7	136.7	129.7	62.9	0	0	0	0	110.1
358	K	29.8	Very low	27.5	Very low	202 Å²	202	177.4 Å²	177.4	88%	0.878	87%	0.866	S	S	*	*			trans	-95.7	130.6	174.3	-79.3	178.7	168.7	-174.3	0	107.5
359	Q	26.7	Very low	27.7	Very low	185 Å²	185	179 Å²	179	86%	0.864	87%	0.872	S	S	*	*			trans	-173.9	146.1	133.1	-105.8	166.9	-15.5	0	0	110.7
360	D	25.7	Very low	27.9	Very low	153 Å²	153	177.9 Å²	177.9	82%	0.818	86%	0.862	S	S	*	*			trans	85.6	69.1	167.3	-56.4	-19	0	0	0	119.6
361	E	28	Very low	28.2	Very low	192 Å²	192	175.6 Å²	175.6	90%	0.897	86%	0.86	S	S	*	*			trans	-79.6	105	148.1	-81.7	-178.6	149.3	0	0	110.2
362	K	30.4	Very low	29.7	Very low	199 Å²	199	172.8 Å²	172.8	87%	0.865	85%	0.845	S	S	*	*			trans	178.2	80.6	142.8	-102.1	173.3	-176.1	-178	0	111.6
363	Q	27.9	Very low	31.3	Very low	199 Å²	199	165.1 Å²	165.1	93%	0.93	83%	0.825	S	S	*	*			trans	176	99.4	140.6	-106.1	158.8	-20.8	0	0	109.6
364	K	26	Very low	34	Very low	200 Å²	200	162.3 Å²	162.3	87%	0.87	80%	0.796	S	S	*	*			trans	-137.1	109	166.9	-113.6	-176.2	177.8	-177.1	0	107.8
365	N	24.4	Very low	36.6	Very low	150 Å²	150	155.7 Å²	155.7	80%	0.802	77%	0.774	S	S	*	*			trans	173.2	82.9	134.8	-87.9	1.7	0	0	0	108.9
366	R	24.1	Very low	39.3	Very low	244 Å²	244	154.2 Å²	154.2	92%	0.921	76%	0.759	S	S	*	*			trans	-131.5	112.1	148.4	-84.2	-171.7	174.2	-178.1	-1.9	105.8	K368	R366-K368 PolarHBondContact O-N 3.42Å; R366-K368 VanDerWaalsContact O-N 3.09Å
367	N	24.1	Very low	42	Very low	157 Å²	157	144.7 Å²	144.7	84%	0.84	72%	0.718	S	S	*	*			trans	-55.7	111.6	175.9	-71.8	-13.5	0	0	0	108.5	E369	N367-E369 PolarHBondContact O-N 3.06Å
368	K	25	Very low	44.6	Very low	198 Å²	198	139.1 Å²	139.1	86%	0.861	68%	0.679	S	S	*	*			trans	-76.9	103.1	160	-96.1	-178.8	170	-179.1	0	105.5	R366 T370	R366-K368 PolarHBondContact O-N 3.42Å; R366-K368 VanDerWaalsContact O-N 3.09Å; K368-T370 PolarHBondContact O-N 3.48Å
369	E	29.8	Very low	47.2	Very low	190 Å²	190	131.3 Å²	131.3	89%	0.888	65%	0.647	S	S	*	*			trans	-58.5	121.6	163	-75.5	175.5	165.7	0	0	107.9	N367 D371	N367-E369 PolarHBondContact O-N 3.06Å; E369-D371 PolarHBondContact O-N 3.11Å
370	T	33.3	Very low	49.9	Very low	94 Å²	94	122.5 Å²	122.5	58%	0.577	61%	0.606	S	S	*	*			trans	-72.9	117.1	173.7	44.2	0	0	0	0	108.2	K368 D372	K368-T370 PolarHBondContact O-N 3.48Å; T370-D372 PolarHBondContact O-N 3.41Å; T370-D372 VanDerWaalsContact O-N 3.1Å
371	D	38.6	Very low	52.3	Low	161 Å²	161	116.8 Å²	116.8	86%	0.861	57%	0.574	S	S	*	*			trans	-61	106.8	176.3	-168.8	12.7	0	0	0	109.8	E369 G373	E369-D371 PolarHBondContact O-N 3.11Å; D371-G373 PolarHBondContact O-N 3.01Å
372	D	56.8	Low	54.4	Low	105 Å²	105	110 Å²	110	56%	0.561	54%	0.542	S	S	*	.			trans	-85.3	9.5	-163.1	-147.8	31.9	0	0	0	113	R339 T370 W374	R339-D372 PolarHBondContact NH1-O 2.84Å; T370-D372 PolarHBondContact O-N 3.41Å; T370-D372 VanDerWaalsContact O-N 3.1Å; D372-W374 VanDerWaalsContact C-N 3.3Å; D372-W374 PolarHBondContact O-N 3.43Å; D372-W374 PolarHBondContact OD2-NE1 3.41Å
373	G	67.5	Low	56.5	Low	48 Å²	48	100.5 Å²	100.5	50%	0.495	50%	0.501	S	S	.	.			trans	73.1	9.6	170.5	0	0	0	0	0	116	R339 D371	R339-G373 WeakPolarHBondContact CB-O 3.17Å; D371-G373 PolarHBondContact O-N 3.01Å
374	W	82	Confident	58.4	Low	61 Å²	61	92.1 Å²	92.1	23%	0.231	46%	0.464	C	S	.	.	P	Polyproline II helix	trans	-78.8	131.2	179.9	-68.3	101.8	0	0	0	112.4	L283 Q327 L329 R339 D372	L283-W374 HydrophobicContact CD1-CH2 3.63Å; L283-W374 HydrophobicContact CD1-CZ2 4.38Å; Q327-W374 HydrophobicContact CB-CH2 4.1Å; Q327-W374 HydrophobicContact CB-CZ3 4.37Å; L329-W374 HydrophobicContact CB-CE3 3.9Å; L329-W374 HydrophobicContact CB-CH2 3.57Å; L329-W374 HydrophobicContact CB-CZ2 4.19Å; L329-W374 HydrophobicContact CB-CZ3 3.39Å; L329-W374 HydrophobicContact CD2-CD2 4Å; L329-W374 HydrophobicContact CD2-CE3 4.23Å; L329-W374 HydrophobicContact CD2-CH2 4.04Å; L329-W374 HydrophobicContact CD2-CZ2 3.77Å; L329-W374 HydrophobicContact CD2-CZ3 4.25Å; L329-W374 HydrophobicContact CG-CH2 4.29Å; L329-W374 HydrophobicContact CG-CZ2 4.46Å; L329-W374 HydrophobicContact CG-CZ3 4.43Å; R339-W374 HydrophobicContact CB-CD2 4.45Å; R339-W374 HydrophobicContact CB-CE3 4.04Å; R339-W374 HydrophobicContact CB-CZ3 4.3Å; R339-W374 HydrophobicContact CG-CD2 4.13Å; R339-W374 HydrophobicContact CG-CE3 3.78Å; R339-W374 HydrophobicContact CG-CH2 3.88Å; R339-W374 HydrophobicContact CG-CZ2 4.23Å; R339-W374 HydrophobicContact CG-CZ3 3.65Å; R339-W374 VanDerWaalsContact NE-CZ2 3.28Å; D372-W374 VanDerWaalsContact C-N 3.3Å; D372-W374 PolarHBondContact O-N 3.43Å; D372-W374 PolarHBondContact OD2-NE1 3.41Å
375	V	84.8	Confident	60.9	Low	74 Å²	74	83.1 Å²	83.1	45%	0.448	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	119.7	172.3	-177.5	0	0	0	0	109	S337 W338 F377	S337-V375 CarbonylContact C-O 3.56Å; S337-V375 VanDerWaalsContact CA-O 3.25Å; S337-V375 WeakPolarHBondContact CA-O 3.5Å; W338-V375 HydrophobicContact CZ2-CB 4.39Å; W338-V375 HydrophobicContact CZ2-CG1 4.32Å; W338-V375 PolarHBondContact N-O 2.86Å; W338-V375 PolarHBondContact O-N 2.86Å; V375-F377 PolarHBondContact O-N 2.91Å
376	V	85.3	Confident	63.7	Low	92 Å²	92	76.2 Å²	76.2	56%	0.558	39%	0.388	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.5	122.8	176.6	-177.4	0	0	0	0	109.2
377	F	86.1	Confident	66.5	Low	12 Å²	12	65.5 Å²	65.5	5%	0.053	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	-61.9	171	172.8	-115.8	0	0	0	110.3	I291 I336 V375 I395 R397 M403	I291-F377 HydrophobicContact CD1-CD2 4.4Å; I291-F377 HydrophobicContact CG2-CD2 4.5Å; I291-F377 HydrophobicContact CG2-CE2 4.19Å; I336-F377 WeakPolarHBondContact O-CA 3.19Å; I336-F377 WeakPolarHBondContact O-CB 3.27Å; I336-F377 PolarHBondContact O-N 3.5Å; V375-F377 PolarHBondContact O-N 2.91Å; F377-I395 HydrophobicContact CE1-CB 4.34Å; F377-I395 HydrophobicContact CE1-CG2 4.13Å; F377-R397 HydrophobicContact CE1-CG 4.08Å; F377-R397 HydrophobicContact CZ-CG 3.86Å; F377-R397 PolarHBondContact O-NH1 3.18Å; F377-M403 HydrophobicContact CB-CE 3.45Å; F377-M403 VanDerWaalsContact CB-CE 3.45Å; F377-M403 HydrophobicContact CD1-CB 4.13Å; F377-M403 HydrophobicContact CD1-CE 3.72Å; F377-M403 HydrophobicContact CD1-SD 3.94Å; F377-M403 HydrophobicContact CD2-CB 4.32Å; F377-M403 HydrophobicContact CD2-CE 3.75Å; F377-M403 HydrophobicContact CE1-CB 3.59Å; F377-M403 HydrophobicContact CE1-CE 4.39Å; F377-M403 HydrophobicContact CE1-SD 4.3Å; F377-M403 HydrophobicContact CE2-CB 3.8Å; F377-M403 HydrophobicContact CE2-CE 4.42Å; F377-M403 HydrophobicContact CG-CB 4.47Å; F377-M403 HydrophobicContact CG-CE 3.36Å; F377-M403 HydrophobicContact CG-SD 4.22Å; F377-M403 HydrophobicContact CZ-CB 3.4Å
378	C	81.1	Confident	69.5	Low	5 Å²	5	58.4 Å²	58.4	3%	0.034	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.1	155.9	176.8	69.7	0	0	0	0	113.1	I336 M382 R397	I336-C378 PolarHBondContact N-O 2.8Å; I336-C378 PolarHBondContact O-N 3.06Å; C378-M382 HydrophobicContact CB-CB 4.04Å; C378-R397 HydrophobicContact CB-CG 4.29Å
379	D	84.1	Confident	72.2	Confident	39 Å²	39	55.7 Å²	55.7	21%	0.209	30%	0.3	C	S	.	.			trans	-75.7	152.5	161	174.2	26	0	0	0	110.1	H381 M382 R569	D379-H381 PolarHBondContact O-N 3.18Å; D379-H381 VanDerWaalsContact O-N 3.12Å; D379-H381 IonicContact OD1-ND1 3.55Å; D379-H381 PolarHBondContact OD1-ND1 3.37Å; D379-H381 IonicContact OD2-CE1 3.55Å; D379-H381 IonicContact OD2-CG 2.9Å; D379-H381 IonicContact OD2-ND1 3.31Å; D379-H381 PolarHBondContact OD2-ND1 2.98Å; D379-M382 WeakPolarHBondContact O-CB 3.26Å; D379-M382 PolarHBondContact O-N 3.49Å; D379-R569 IonicContact OD2-CZ 3.64Å; D379-R569 IonicContact OD2-NH2 3.89Å; D379-R569 PolarHBondContact OD2-NH2 3.3Å
380	F	83.4	Confident	74.9	Confident	0 Å²	0	53.3 Å²	53.3	0%	0	29%	0.289	C	S	.	.	G	3₁₀ helix	trans	-56.9	-30.4	-176.5	-59	-74	0	0	0	113	V330 I336 M382 I383 V420 Y423 F424 I427 V428	V330-F380 HydrophobicContact CG1-CE1 4.11Å; V330-F380 HydrophobicContact CG1-CZ 3.85Å; I336-F380 HydrophobicContact CG1-CE1 4.24Å; F380-M382 PolarHBondContact O-N 3.05Å; F380-I383 HydrophobicContact CD1-CD1 4.22Å; F380-I383 WeakPolarHBondContact O-CB 3.45Å; F380-I383 PolarHBondContact O-N 3.26Å; F380-V420 HydrophobicContact CD1-CG1 4.25Å; F380-V420 HydrophobicContact CE1-CG1 4.38Å; F380-Y423 HydrophobicContact CE1-CD2 4.18Å; F380-Y423 HydrophobicContact CE1-CG 4.24Å; F380-Y423 HydrophobicContact CE2-CD2 4.38Å; F380-Y423 HydrophobicContact CE2-CG 4.01Å; F380-Y423 VanDerWaalsContact CZ-CB 3.42Å; F380-Y423 AromaticContact CZ-CD2 3.66Å; F380-Y423 HydrophobicContact CZ-CD2 3.66Å; F380-Y423 AromaticContact CZ-CG 3.69Å; F380-Y423 HydrophobicContact CZ-CG 3.69Å; F380-F424 WeakPolarHBondContact O-CD2 3.37Å; F380-I427 HydrophobicContact CD2-CD1 3.57Å; F380-I427 HydrophobicContact CE2-CD1 3.88Å; F380-V428 HydrophobicContact CB-CG2 3.95Å
381	H	76.2	Confident	77.7	Confident	32 Å²	32	50.7 Å²	50.7	15%	0.148	27%	0.273	C	S	.	.	G	3₁₀ helix	trans	-63.9	-27.1	177.6	-62	92.5	0	0	0	113.9	D379 I383 I427 V428 R556 R569	D379-H381 PolarHBondContact O-N 3.18Å; D379-H381 VanDerWaalsContact O-N 3.12Å; D379-H381 IonicContact OD1-ND1 3.55Å; D379-H381 PolarHBondContact OD1-ND1 3.37Å; D379-H381 IonicContact OD2-CE1 3.55Å; D379-H381 IonicContact OD2-CG 2.9Å; D379-H381 IonicContact OD2-ND1 3.31Å; D379-H381 PolarHBondContact OD2-ND1 2.98Å; H381-I383 PolarHBondContact O-N 3.15Å; H381-I427 WeakPolarHBondContact CE1-CG2 3.49Å; H381-V428 HydrophobicContact CB-CG2 4.25Å; H381-R556 PolarHBondContact O-NH1 3.47Å; H381-R556 PolarHBondContact O-NH2 3.4Å; H381-R569 VanDerWaalsContact CB-NH1 3.32Å; H381-R569 PolarHBondContact CD2-NH1 3Å; H381-R569 PolarHBondContact CE1-NH1 2.83Å; H381-R569 PolarHBondContact ND1-NH1 2.96Å; H381-R569 VanDerWaalsContact ND1-NH1 3.19Å; H381-R569 PolarHBondContact NE2-NH1 2.97Å
382	M	70.8	Confident	80.1	Confident	49 Å²	49	45.1 Å²	45.1	24%	0.241	24%	0.244	C	C	.	.	G	3₁₀ helix	trans	-76.8	-13.2	-180	-64.4	-61.2	-66.5	0	0	112.2	C378 D379 F380 R397 Q398	C378-M382 HydrophobicContact CB-CB 4.04Å; D379-M382 WeakPolarHBondContact O-CB 3.26Å; D379-M382 PolarHBondContact O-N 3.49Å; F380-M382 PolarHBondContact O-N 3.05Å; M382-R397 CarbonylContact O-C 3.56Å; M382-R397 VanDerWaalsContact O-CA 3.22Å; M382-R397 WeakPolarHBondContact O-CA 3.35Å; M382-Q398 WeakPolarHBondContact O-CG 3.48Å; M382-Q398 PolarHBondContact O-N 3.09Å
383	I	75	Confident	81.9	Confident	0 Å²	0	40.1 Å²	40.1	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	133	-176.1	-52.6	176.9	0	0	0	109.6	I336 F380 H381 T386 I395 M396 V420 L434 R556 R854	I336-I383 HydrophobicContact CD1-CD1 3.97Å; F380-I383 HydrophobicContact CD1-CD1 4.22Å; F380-I383 WeakPolarHBondContact O-CB 3.45Å; F380-I383 PolarHBondContact O-N 3.26Å; H381-I383 PolarHBondContact O-N 3.15Å; I383-T386 HydrophobicContact CG2-CG2 4.17Å; I383-I395 HydrophobicContact CD1-CG2 4.08Å; I383-I395 HydrophobicContact CG1-CG2 4.08Å; I383-I395 HydrophobicContact CG2-CG2 3.89Å; I383-M396 WeakPolarHBondContact CA-O 3.09Å; I383-V420 HydrophobicContact CD1-CG1 3.6Å; I383-L434 HydrophobicContact CB-CD1 4.33Å; I383-L434 HydrophobicContact CB-CD2 4.39Å; I383-L434 HydrophobicContact CD1-CD1 4.41Å; I383-L434 HydrophobicContact CG2-CD1 3.85Å; I383-L434 HydrophobicContact CG2-CD2 3.93Å; I383-L434 HydrophobicContact CG2-CG 4.49Å; I383-R556 PolarHBondContact O-NH2 2.9Å; I383-R854 PolarHBondContact O-NH1 3.22Å; I383-R854 PolarHBondContact O-NH2 3.47Å
384	T	69	Low	82.8	Confident	24 Å²	24	38.9 Å²	38.9	15%	0.147	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	-58.9	173	48.3	0	0	0	0	110.7	M396 Q398	T384-M396 PolarHBondContact N-O 2.77Å; T384-M396 WeakPolarHBondContact OG1-CB 3.48Å; T384-M396 PolarHBondContact OG1-O 3.25Å; T384-M396 VanDerWaalsContact OG1-O 3.07Å; T384-Q398 HydrophobicContact CG2-CB 4.33Å; T384-Q398 HydrophobicContact CG2-CG 4.29Å
385	H	77.3	Confident	83.1	Confident	10 Å²	10	36 Å²	36	5%	0.046	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.3	168.1	178.7	63.1	-96.5	0	0	0	109.7	M396 R858 D861	H385-M396 WeakPolarHBondContact NE2-CG 3.5Å; H385-M396 PolarHBondContact O-N 3.18Å; H385-M396 VanDerWaalsContact O-N 3.09Å; H385-R858 HydrophobicContact CB-CB 4.12Å; H385-R858 HydrophobicContact CB-CG 3.92Å; H385-D861 IonicContact CE1-OD2 2.62Å; H385-D861 PolarHBondContact CE1-OD2 2.81Å; H385-D861 IonicContact NE2-OD2 2.84Å; H385-D861 PolarHBondContact NE2-OD2 3.38Å
386	T	83.9	Confident	82.6	Confident	6 Å²	6	33.3 Å²	33.3	4%	0.037	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	140.9	174.4	50.2	0	0	0	0	110.1	I383 T394 I395 V417 L434 C435	I383-T386 HydrophobicContact CG2-CG2 4.17Å; T386-T394 CarbonylContact C-O 3.53Å; T386-T394 VanDerWaalsContact CA-O 3.3Å; T386-T394 WeakPolarHBondContact CA-O 3.4Å; T386-I395 HydrophobicContact CG2-CB 4.37Å; T386-I395 HydrophobicContact CG2-CG1 4.12Å; T386-I395 HydrophobicContact CG2-CG2 4.18Å; T386-V417 VanDerWaalsContact OG1-CG1 3.3Å; T386-V417 WeakPolarHBondContact OG1-CG1 3.43Å; T386-L434 HydrophobicContact CG2-CB 4.41Å; T386-L434 HydrophobicContact CG2-CD1 4.44Å; T386-L434 PolarHBondContact N-O 3.07Å; T386-C435 WeakPolarHBondContact O-CB 3.2Å; T386-C435 VanDerWaalsContact OG1-CB 3.26Å; T386-C435 WeakPolarHBondContact OG1-CB 3.42Å
387	V	81.8	Confident	82.2	Confident	18 Å²	18	29.4 Å²	29.4	11%	0.109	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	139.2	-179.2	-173.9	0	0	0	0	109.1	V393 T394 E865	V387-V393 WeakPolarHBondContact O-CA 3.48Å; V387-T394 PolarHBondContact N-O 2.77Å; V387-T394 PolarHBondContact O-N 2.99Å; V387-E865 WeakPolarHBondContact CG1-OE1 3.48Å; V387-E865 VanDerWaalsContact CG1-OE2 3.32Å; V387-E865 WeakPolarHBondContact CG1-OE2 3.46Å
388	I	87	Confident	80.8	Confident	9 Å²	9	31.8 Å²	31.8	5%	0.046	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	122.7	178.1	-53.9	177.9	0	0	0	108.2	A413 L414 V417 V438	I388-A413 HydrophobicContact CG2-CB 4.3Å; I388-L414 HydrophobicContact CD1-CD2 3.91Å; I388-V417 HydrophobicContact CD1-CB 3.76Å; I388-V417 HydrophobicContact CD1-CG1 4.05Å; I388-V417 HydrophobicContact CD1-CG2 3.68Å; I388-V417 HydrophobicContact CG1-CB 4.3Å; I388-V417 HydrophobicContact CG1-CG1 4.44Å; I388-V417 HydrophobicContact CG1-CG2 3.72Å; I388-V438 HydrophobicContact CD1-CG1 3.99Å
389	K	82.8	Confident	79.6	Confident	140 Å²	140	33.7 Å²	33.7	61%	0.609	17%	0.169	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-126.9	102.1	174.5	-174.3	175.5	-177.9	172.9	0	109.6	T391 T392	K389-T391 PolarHBondContact O-N 3.44Å; K389-T392 PolarHBondContact N-O 3.45Å; K389-T392 WeakPolarHBondContact O-CB 3.34Å; K389-T392 PolarHBondContact O-N 2.9Å
390	E	87.2	Confident	78.3	Confident	141 Å²	141	34.4 Å²	34.4	66%	0.659	17%	0.173	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.5	-98.8	-174.7	-59.7	-176.5	168.8	0	0	112.5	R410	E390-R410 WeakPolarHBondContact O-CB 3.2Å; E390-R410 WeakPolarHBondContact O-CG 3.38Å
391	T	90.3	Very high	77.7	Confident	38 Å²	38	37.1 Å²	37.1	23%	0.233	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.8	-5.7	177.4	62.4	0	0	0	0	113	K389 L407	K389-T391 PolarHBondContact O-N 3.44Å; T391-L407 WeakPolarHBondContact CB-O 3.31Å; T391-L407 PolarHBondContact O-N 2.91Å
392	T	90.4	Very high	77.9	Confident	44 Å²	44	37.6 Å²	37.6	27%	0.27	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	133.7	-177.1	-56.3	0	0	0	0	110.4	K389 L405	K389-T392 PolarHBondContact N-O 3.45Å; K389-T392 WeakPolarHBondContact O-CB 3.34Å; K389-T392 PolarHBondContact O-N 2.9Å; T392-L405 CarbonylContact C-O 3.52Å; T392-L405 VanDerWaalsContact CA-O 3.26Å; T392-L405 WeakPolarHBondContact CA-O 3.47Å
393	V	93.4	Very high	78.9	Confident	0 Å²	0	35.3 Å²	35.3	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	131.2	176.1	175.9	0	0	0	0	109.3	V387 I395 E404 L405 L407 A413 F416 V417	V387-V393 WeakPolarHBondContact O-CA 3.48Å; V393-I395 HydrophobicContact CG1-CG1 4.37Å; V393-E404 CarbonylContact O-C 3.46Å; V393-E404 WeakPolarHBondContact O-CA 3.39Å; V393-L405 HydrophobicContact CB-CB 4.33Å; V393-L405 HydrophobicContact CB-CD1 4.47Å; V393-L405 HydrophobicContact CG1-CD1 4.44Å; V393-L405 PolarHBondContact N-O 3.08Å; V393-L405 PolarHBondContact O-N 3.5Å; V393-L407 HydrophobicContact CG2-CD1 4Å; V393-A413 HydrophobicContact CG2-CB 3.69Å; V393-F416 HydrophobicContact CB-CD1 4.37Å; V393-F416 HydrophobicContact CG1-CD1 3.9Å; V393-F416 HydrophobicContact CG1-CE1 3.88Å; V393-F416 HydrophobicContact CG2-CD1 4.3Å; V393-V417 HydrophobicContact CB-CG2 4.25Å; V393-V417 HydrophobicContact CG1-CG2 3.42Å; V393-V417 VanDerWaalsContact CG1-CG2 3.42Å; V393-V417 HydrophobicContact CG2-CG2 3.75Å
394	T	87.9	Confident	79.6	Confident	22 Å²	22	38 Å²	38	14%	0.135	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	123.5	174.6	-53.3	0	0	0	0	109.8	T386 V387 M396 K402 M403 E404	T386-T394 CarbonylContact C-O 3.53Å; T386-T394 VanDerWaalsContact CA-O 3.3Å; T386-T394 WeakPolarHBondContact CA-O 3.4Å; V387-T394 PolarHBondContact N-O 2.77Å; V387-T394 PolarHBondContact O-N 2.99Å; T394-M396 HydrophobicContact CG2-CG 4.39Å; T394-M396 HydrophobicContact CG2-SD 3.82Å; T394-K402 HydrophobicContact CG2-CB 4.26Å; T394-K402 HydrophobicContact CG2-CD 4.19Å; T394-M403 CarbonylContact C-O 3.58Å; T394-M403 WeakPolarHBondContact CA-O 3.41Å; T394-E404 HydrophobicContact CG2-CG 3.85Å
395	I	87.7	Confident	80.7	Confident	0 Å²	0	36.9 Å²	36.9	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	118.1	173.7	-51.8	-178.2	0	0	0	108.8	I336 F377 I383 T386 V393 K402 M403 L405 F416	I336-I395 HydrophobicContact CD1-CD1 3.61Å; F377-I395 HydrophobicContact CE1-CB 4.34Å; F377-I395 HydrophobicContact CE1-CG2 4.13Å; I383-I395 HydrophobicContact CD1-CG2 4.08Å; I383-I395 HydrophobicContact CG1-CG2 4.08Å; I383-I395 HydrophobicContact CG2-CG2 3.89Å; T386-I395 HydrophobicContact CG2-CB 4.37Å; T386-I395 HydrophobicContact CG2-CG1 4.12Å; T386-I395 HydrophobicContact CG2-CG2 4.18Å; V393-I395 HydrophobicContact CG1-CG1 4.37Å; I395-K402 VanDerWaalsContact O-CA 3.26Å; I395-K402 WeakPolarHBondContact O-CA 3.2Å; I395-M403 HydrophobicContact CB-CB 4.43Å; I395-M403 HydrophobicContact CD1-SD 4.35Å; I395-M403 PolarHBondContact N-O 3.27Å; I395-M403 PolarHBondContact O-N 2.92Å; I395-L405 HydrophobicContact CD1-CD1 4.16Å; I395-L405 HydrophobicContact CG1-CD1 4.42Å; I395-F416 HydrophobicContact CD1-CE1 3.84Å; I395-F416 HydrophobicContact CD1-CZ 3.89Å; I395-F416 HydrophobicContact CG1-CE1 4.42Å
396	M	73.8	Confident	81.4	Confident	19 Å²	19	40 Å²	40	9%	0.094	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	136.9	178.5	-61.5	-59.9	-72.8	0	0	111.1	I383 T384 H385 T394 K402	I383-M396 WeakPolarHBondContact CA-O 3.09Å; T384-M396 PolarHBondContact N-O 2.77Å; T384-M396 WeakPolarHBondContact OG1-CB 3.48Å; T384-M396 PolarHBondContact OG1-O 3.25Å; T384-M396 VanDerWaalsContact OG1-O 3.07Å; H385-M396 WeakPolarHBondContact NE2-CG 3.5Å; H385-M396 PolarHBondContact O-N 3.18Å; H385-M396 VanDerWaalsContact O-N 3.09Å; T394-M396 HydrophobicContact CG2-CG 4.39Å; T394-M396 HydrophobicContact CG2-SD 3.82Å; M396-K402 HydrophobicContact CE-CB 4.22Å; M396-K402 HydrophobicContact SD-CB 3.32Å; M396-K402 WeakPolarHBondContact SD-CB 3.38Å; M396-K402 HydrophobicContact SD-CD 4.01Å; M396-K402 HydrophobicContact SD-CG 4.29Å
397	R	76.7	Confident	81.9	Confident	10 Å²	10	40 Å²	40	4%	0.038	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	163.1	176.3	-68.1	166.5	46	148.3	9.7	112.3	F377 C378 M382 D399 N400 K401 Y946	F377-R397 HydrophobicContact CE1-CG 4.08Å; F377-R397 HydrophobicContact CZ-CG 3.86Å; F377-R397 PolarHBondContact O-NH1 3.18Å; C378-R397 HydrophobicContact CB-CG 4.29Å; M382-R397 CarbonylContact O-C 3.56Å; M382-R397 VanDerWaalsContact O-CA 3.22Å; M382-R397 WeakPolarHBondContact O-CA 3.35Å; R397-D399 WeakPolarHBondContact CB-OD1 3.48Å; R397-D399 IonicContact CZ-OD1 3.22Å; R397-D399 IonicContact CZ-OD2 3.64Å; R397-D399 IonicContact NE-OD1 2.84Å; R397-D399 PolarHBondContact NE-OD1 3.24Å; R397-D399 IonicContact NE-OD2 3.29Å; R397-D399 IonicContact NH2-OD1 3.12Å; R397-D399 IonicContact NH2-OD2 2.65Å; R397-D399 PolarHBondContact NH2-OD2 3.15Å; R397-D399 PolarHBondContact O-N 3.35Å; R397-N400 PolarHBondContact O-N 3.46Å; R397-K401 HydrophobicContact CB-CB 4.43Å; R397-K401 VanDerWaalsContact CB-O 3.31Å; R397-K401 WeakPolarHBondContact CB-O 3.18Å; R397-K401 PolarHBondContact N-O 3.27Å; R397-Y946 PolarHBondContact NH2-OH 2.94Å; R397-Y946 VanDerWaalsContact NH2-OH 3.16Å
398	Q	57.6	Low	82.2	Confident	62 Å²	62	45.2 Å²	45.2	29%	0.29	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-25	177.1	-31.6	-161.9	-112.9	0	0	113.7	M382 T384 N400 D721 R854	M382-Q398 WeakPolarHBondContact O-CG 3.48Å; M382-Q398 PolarHBondContact O-N 3.09Å; T384-Q398 HydrophobicContact CG2-CB 4.33Å; T384-Q398 HydrophobicContact CG2-CG 4.29Å; Q398-N400 VanDerWaalsContact C-N 3.28Å; Q398-D721 PolarHBondContact NE2-OD2 2.97Å; Q398-R854 VanDerWaalsContact CD-NH2 3.33Å; Q398-R854 VanDerWaalsContact CG-NH2 3.26Å
399	D	55.4	Low	82.5	Confident	44 Å²	44	46.9 Å²	46.9	24%	0.235	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.7	16.5	177.9	61.5	-11.5	0	0	0	112.9	R397 K401	R397-D399 WeakPolarHBondContact CB-OD1 3.48Å; R397-D399 IonicContact CZ-OD1 3.22Å; R397-D399 IonicContact CZ-OD2 3.64Å; R397-D399 IonicContact NE-OD1 2.84Å; R397-D399 PolarHBondContact NE-OD1 3.24Å; R397-D399 IonicContact NE-OD2 3.29Å; R397-D399 IonicContact NH2-OD1 3.12Å; R397-D399 IonicContact NH2-OD2 2.65Å; R397-D399 PolarHBondContact NH2-OD2 3.15Å; R397-D399 PolarHBondContact O-N 3.35Å; D399-K401 PolarHBondContact O-N 2.91Å; D399-K401 VanDerWaalsContact O-N 3.14Å
400	N	57.1	Low	83	Confident	55 Å²	55	45.6 Å²	45.6	29%	0.294	23%	0.226	S	C	.	.	S	Bend	trans	57.9	20.6	-178.2	-54.5	-35.6	0	0	0	114.4	E294 R397 Q398	E294-N400 HydrophobicContact CB-CB 4.37Å; E294-N400 PolarHBondContact N-O 3.44Å; E294-N400 VanDerWaalsContact N-O 3.14Å; R397-N400 PolarHBondContact O-N 3.46Å; Q398-N400 VanDerWaalsContact C-N 3.28Å
401	K	69.8	Low	83.2	Confident	56 Å²	56	41.2 Å²	41.2	24%	0.243	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	137	163.2	-71.2	-174.6	178.7	-171.8	0	109.1	Q293 R397 D399	Q293-K401 HydrophobicContact CB-CG 4.25Å; Q293-K401 HydrophobicContact CG-CG 4.03Å; R397-K401 HydrophobicContact CB-CB 4.43Å; R397-K401 VanDerWaalsContact CB-O 3.31Å; R397-K401 WeakPolarHBondContact CB-O 3.18Å; R397-K401 PolarHBondContact N-O 3.27Å; D399-K401 PolarHBondContact O-N 2.91Å; D399-K401 VanDerWaalsContact O-N 3.14Å
402	K	82.1	Confident	83.4	Confident	43 Å²	43	41 Å²	41	19%	0.187	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	145	176.9	73.5	176.2	179.6	166.8	0	112.4	I291 T292 T394 I395 M396 E404	I291-K402 WeakPolarHBondContact CA-O 3.38Å; T292-K402 PolarHBondContact N-O 3.44Å; T292-K402 PolarHBondContact O-N 3.25Å; T292-K402 WeakPolarHBondContact OG1-CE 3.31Å; T292-K402 WeakPolarHBondContact OG1-CG 3.25Å; T394-K402 HydrophobicContact CG2-CB 4.26Å; T394-K402 HydrophobicContact CG2-CD 4.19Å; I395-K402 VanDerWaalsContact O-CA 3.26Å; I395-K402 WeakPolarHBondContact O-CA 3.2Å; M396-K402 HydrophobicContact CE-CB 4.22Å; M396-K402 HydrophobicContact SD-CB 3.32Å; M396-K402 WeakPolarHBondContact SD-CB 3.38Å; M396-K402 HydrophobicContact SD-CD 4.01Å; M396-K402 HydrophobicContact SD-CG 4.29Å; K402-E404 HydrophobicContact CD-CG 4.37Å; K402-E404 VanDerWaalsContact CE-OE1 3.3Å; K402-E404 WeakPolarHBondContact CE-OE1 3.29Å; K402-E404 IonicContact NZ-OE1 3.9Å; K402-E404 PolarHBondContact NZ-OE1 2.95Å
403	M	89.9	Confident	83.6	Confident	0 Å²	0	38.9 Å²	38.9	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	119.9	170.6	168.3	-179.2	-79.1	0	0	107.9	L289 I291 I336 W338 F377 T394 I395 L405	L289-M403 HydrophobicContact CD1-CE 4.14Å; L289-M403 HydrophobicContact CD1-CG 3.77Å; L289-M403 HydrophobicContact CD1-SD 4.13Å; I291-M403 HydrophobicContact CD1-CE 3.92Å; I291-M403 HydrophobicContact CG1-CE 4.22Å; I336-M403 HydrophobicContact CG2-SD 4.26Å; W338-M403 HydrophobicContact CG-CE 4.31Å; F377-M403 HydrophobicContact CB-CE 3.45Å; F377-M403 VanDerWaalsContact CB-CE 3.45Å; F377-M403 HydrophobicContact CD1-CB 4.13Å; F377-M403 HydrophobicContact CD1-CE 3.72Å; F377-M403 HydrophobicContact CD1-SD 3.94Å; F377-M403 HydrophobicContact CD2-CB 4.32Å; F377-M403 HydrophobicContact CD2-CE 3.75Å; F377-M403 HydrophobicContact CE1-CB 3.59Å; F377-M403 HydrophobicContact CE1-CE 4.39Å; F377-M403 HydrophobicContact CE1-SD 4.3Å; F377-M403 HydrophobicContact CE2-CB 3.8Å; F377-M403 HydrophobicContact CE2-CE 4.42Å; F377-M403 HydrophobicContact CG-CB 4.47Å; F377-M403 HydrophobicContact CG-CE 3.36Å; F377-M403 HydrophobicContact CG-SD 4.22Å; F377-M403 HydrophobicContact CZ-CB 3.4Å; T394-M403 CarbonylContact C-O 3.58Å; T394-M403 WeakPolarHBondContact CA-O 3.41Å; I395-M403 HydrophobicContact CB-CB 4.43Å; I395-M403 HydrophobicContact CD1-SD 4.35Å; I395-M403 PolarHBondContact N-O 3.27Å; I395-M403 PolarHBondContact O-N 2.92Å; M403-L405 HydrophobicContact CG-CD1 4.05Å; M403-L405 HydrophobicContact CG-CD2 4.3Å; M403-L405 HydrophobicContact CG-CG 3.92Å; M403-L405 HydrophobicContact SD-CD1 4.01Å; M403-L405 HydrophobicContact SD-CD2 4.19Å; M403-L405 HydrophobicContact SD-CG 4.24Å
404	E	91.1	Very high	83.7	Confident	56 Å²	56	40.2 Å²	40.2	26%	0.262	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	126.8	176.2	-67.8	-179.9	160.2	0	0	109.4	L289 V290 V393 T394 K402	L289-E404 WeakPolarHBondContact CA-O 3.35Å; V290-E404 HydrophobicContact CB-CB 4.34Å; V290-E404 PolarHBondContact N-O 3.13Å; V290-E404 PolarHBondContact O-N 2.63Å; V393-E404 CarbonylContact O-C 3.46Å; V393-E404 WeakPolarHBondContact O-CA 3.39Å; T394-E404 HydrophobicContact CG2-CG 3.85Å; K402-E404 HydrophobicContact CD-CG 4.37Å; K402-E404 VanDerWaalsContact CE-OE1 3.3Å; K402-E404 WeakPolarHBondContact CE-OE1 3.29Å; K402-E404 IonicContact NZ-OE1 3.9Å; K402-E404 PolarHBondContact NZ-OE1 2.95Å
405	L	92.6	Very high	84.1	Confident	2 Å²	2	39.5 Å²	39.5	1%	0.01	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	120.3	-172.6	-64	148.2	0	0	0	108.8	P286 L289 V328 T392 V393 I395 M403 F416	P286-L405 HydrophobicContact CB-CD2 4.31Å; P286-L405 HydrophobicContact CG-CD2 4.11Å; L289-L405 HydrophobicContact CD1-CD2 3.36Å; L289-L405 HydrophobicContact CD1-CG 4.05Å; V328-L405 HydrophobicContact CB-CD2 4.44Å; V328-L405 HydrophobicContact CG1-CD2 4.46Å; V328-L405 HydrophobicContact CG2-CD2 3.63Å; T392-L405 CarbonylContact C-O 3.52Å; T392-L405 VanDerWaalsContact CA-O 3.26Å; T392-L405 WeakPolarHBondContact CA-O 3.47Å; V393-L405 HydrophobicContact CB-CB 4.33Å; V393-L405 HydrophobicContact CB-CD1 4.47Å; V393-L405 HydrophobicContact CG1-CD1 4.44Å; V393-L405 PolarHBondContact N-O 3.08Å; V393-L405 PolarHBondContact O-N 3.5Å; I395-L405 HydrophobicContact CD1-CD1 4.16Å; I395-L405 HydrophobicContact CG1-CD1 4.42Å; M403-L405 HydrophobicContact CG-CD1 4.05Å; M403-L405 HydrophobicContact CG-CD2 4.3Å; M403-L405 HydrophobicContact CG-CG 3.92Å; M403-L405 HydrophobicContact SD-CD1 4.01Å; M403-L405 HydrophobicContact SD-CD2 4.19Å; M403-L405 HydrophobicContact SD-CG 4.24Å; L405-F416 HydrophobicContact CD1-CD1 4.35Å; L405-F416 HydrophobicContact CD1-CE1 3.45Å; L405-F416 VanDerWaalsContact CD1-CE1 3.45Å; L405-F416 HydrophobicContact CD1-CE2 4.44Å; L405-F416 HydrophobicContact CD1-CZ 3.5Å
406	Q	92.1	Very high	84.6	Confident	76 Å²	76	39.5 Å²	39.5	36%	0.355	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	113.1	170	-169.4	176.9	11.6	0	0	109.9	P286 V287 S288	P286-Q406 CarbonylContact C-O 3.6Å; P286-Q406 WeakPolarHBondContact CA-O 3.3Å; P286-Q406 WeakPolarHBondContact CB-O 3.36Å; V287-Q406 HydrophobicContact CB-CB 4.44Å; V287-Q406 HydrophobicContact CB-CG 4.41Å; V287-Q406 PolarHBondContact N-O 3.3Å; S288-Q406 PolarHBondContact O-N 3.49Å; S288-Q406 WeakPolarHBondContact OG-CB 3.34Å; S288-Q406 PolarHBondContact OG-OE1 3.49Å; S288-Q406 VanDerWaalsContact OG-OE1 3.05Å
407	L	92.8	Very high	85.6	Confident	5 Å²	5	38.6 Å²	38.6	3%	0.026	20%	0.195	C	C	.	.			trans	-95.5	168.6	-178.9	-66.1	165.3	0	0	0	111.3	F284 P286 T391 V393 S409 E412 A413 F416	F284-L407 HydrophobicContact CB-CD2 4.32Å; F284-L407 HydrophobicContact CD1-CD2 4.38Å; P286-L407 HydrophobicContact CB-CD2 4.22Å; T391-L407 WeakPolarHBondContact CB-O 3.31Å; T391-L407 PolarHBondContact O-N 2.91Å; V393-L407 HydrophobicContact CG2-CD1 4Å; L407-S409 VanDerWaalsContact C-N 3.3Å; L407-S409 PolarHBondContact O-N 3.29Å; L407-E412 HydrophobicContact CB-CB 4.34Å; L407-E412 HydrophobicContact CB-CG 4.25Å; L407-E412 HydrophobicContact CD1-CG 4.47Å; L407-E412 HydrophobicContact CD2-CG 4.29Å; L407-A413 VanDerWaalsContact CD1-CA 3.44Å; L407-A413 HydrophobicContact CD1-CB 3.98Å; L407-F416 HydrophobicContact CD1-CB 3.84Å; L407-F416 HydrophobicContact CD1-CD1 4.45Å; L407-F416 HydrophobicContact CD1-CG 4.19Å
408	L	89.8	Confident	86.6	Confident	127 Å²	127	38.3 Å²	38.3	67%	0.665	19%	0.194	S	C	*	.	S	Bend	trans	-71.4	-28.1	-173.4	-63.4	166.8	0	0	0	112.5	V287 E412	V287-L408 HydrophobicContact CG2-CD2 3.73Å; V287-L408 HydrophobicContact CG2-CG 4.49Å; L408-E412 VanDerWaalsContact CB-OE2 3.22Å; L408-E412 WeakPolarHBondContact CB-OE2 3.3Å; L408-E412 PolarHBondContact N-OE2 3.15Å
409	S	92.6	Very high	88.5	Confident	45 Å²	45	35.3 Å²	35.3	32%	0.315	18%	0.181	S	C	.	.			trans	-150.9	160.1	-178.5	69.5	0	0	0	0	111.8	L407 A411 E412 A413	L407-S409 VanDerWaalsContact C-N 3.3Å; L407-S409 PolarHBondContact O-N 3.29Å; S409-A411 PolarHBondContact O-N 3.12Å; S409-E412 PolarHBondContact O-N 3.23Å; S409-E412 PolarHBondContact OG-N 3.03Å; S409-E412 VanDerWaalsContact OG-N 3.15Å; S409-A413 PolarHBondContact O-N 3.35Å
410	R	93.1	Very high	90.4	Very high	113 Å²	113	33.2 Å²	33.2	43%	0.426	17%	0.169	S	C	.	.	H	α-helix	trans	-60.1	-35.6	172.5	-177.3	173	-172.3	120.7	8.1	111.9	E390 E412 A413 L414 E437	E390-R410 WeakPolarHBondContact O-CB 3.2Å; E390-R410 WeakPolarHBondContact O-CG 3.38Å; R410-E412 VanDerWaalsContact C-N 3.32Å; R410-E412 PolarHBondContact O-N 3.17Å; R410-A413 PolarHBondContact O-N 3.45Å; R410-L414 HydrophobicContact CG-CD1 4.13Å; R410-L414 HydrophobicContact CG-CG 4.35Å; R410-L414 WeakPolarHBondContact O-CG 3.46Å; R410-L414 PolarHBondContact O-N 3.22Å; R410-E437 IonicContact CZ-OE2 3.36Å; R410-E437 IonicContact NH2-OE1 3.75Å; R410-E437 IonicContact NH2-OE2 3.82Å; R410-E437 PolarHBondContact NH2-OE2 3.39Å
411	A	92.3	Very high	92.2	Very high	48 Å²	48	30.6 Å²	30.6	40%	0.397	16%	0.155	S	C	.	.	H	α-helix	trans	-62.9	-39.8	177.2	0	0	0	0	0	111.7	S409 S415	S409-A411 PolarHBondContact O-N 3.12Å; A411-S415 VanDerWaalsContact O-CB 3.3Å; A411-S415 WeakPolarHBondContact O-CB 3.5Å; A411-S415 PolarHBondContact O-N 3.09Å
412	E	93.9	Very high	93.4	Very high	34 Å²	34	28 Å²	28	16%	0.159	15%	0.145	C	C	.	.	H	α-helix	trans	-67.6	-39.3	174.2	-169.3	179.8	-159.3	0	0	111.9	F284 L407 L408 S409 R410 S415 F416	F284-E412 HydrophobicContact CD1-CG 4.17Å; F284-E412 HydrophobicContact CE1-CG 4.34Å; L407-E412 HydrophobicContact CB-CB 4.34Å; L407-E412 HydrophobicContact CB-CG 4.25Å; L407-E412 HydrophobicContact CD1-CG 4.47Å; L407-E412 HydrophobicContact CD2-CG 4.29Å; L408-E412 VanDerWaalsContact CB-OE2 3.22Å; L408-E412 WeakPolarHBondContact CB-OE2 3.3Å; L408-E412 PolarHBondContact N-OE2 3.15Å; S409-E412 PolarHBondContact O-N 3.23Å; S409-E412 PolarHBondContact OG-N 3.03Å; S409-E412 VanDerWaalsContact OG-N 3.15Å; R410-E412 VanDerWaalsContact C-N 3.32Å; R410-E412 PolarHBondContact O-N 3.17Å; E412-S415 WeakPolarHBondContact O-CB 3.37Å; E412-S415 PolarHBondContact O-N 2.92Å; E412-F416 WeakPolarHBondContact O-CB 3.3Å; E412-F416 PolarHBondContact O-N 3.27Å
413	A	94.4	Very high	94	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-60.9	-47	173.9	0	0	0	0	0	113	I388 V393 L407 S409 R410 S415 F416 V417	I388-A413 HydrophobicContact CG2-CB 4.3Å; V393-A413 HydrophobicContact CG2-CB 3.69Å; L407-A413 VanDerWaalsContact CD1-CA 3.44Å; L407-A413 HydrophobicContact CD1-CB 3.98Å; S409-A413 PolarHBondContact O-N 3.35Å; R410-A413 PolarHBondContact O-N 3.45Å; A413-S415 VanDerWaalsContact C-N 3.34Å; A413-S415 PolarHBondContact O-N 2.87Å; A413-F416 PolarHBondContact O-N 3Å; A413-V417 WeakPolarHBondContact O-CG2 3.42Å; A413-V417 PolarHBondContact O-N 3.27Å
414	L	95.7	Very high	94	Very high	28 Å²	28	26.2 Å²	26.2	15%	0.147	14%	0.137	C	C	.	.	H	α-helix	trans	-62.5	-41.9	174.6	-67.6	168.9	0	0	0	111.4	I388 R410 F416 A418 E437 V438	I388-L414 HydrophobicContact CD1-CD2 3.91Å; R410-L414 HydrophobicContact CG-CD1 4.13Å; R410-L414 HydrophobicContact CG-CG 4.35Å; R410-L414 WeakPolarHBondContact O-CG 3.46Å; R410-L414 PolarHBondContact O-N 3.22Å; L414-F416 PolarHBondContact O-N 2.81Å; L414-A418 WeakPolarHBondContact O-CB 3.24Å; L414-A418 PolarHBondContact O-N 3.18Å; L414-E437 HydrophobicContact CD2-CB 4.49Å; L414-V438 HydrophobicContact CB-CG1 4.35Å; L414-V438 HydrophobicContact CD2-CG1 3.71Å
415	S	96.7	Very high	94	Very high	6 Å²	6	24.6 Å²	24.6	4%	0.042	13%	0.128	C	C	.	.	H	α-helix	trans	-57.8	-48	174.7	174.1	0	0	0	0	111.7	W87 R109 A411 E412 A413 L419	W87-S415 WeakPolarHBondContact O-CB 3.28Å; R109-S415 PolarHBondContact NH1-O 3.45Å; R109-S415 PolarHBondContact NH2-O 2.96Å; R109-S415 PolarHBondContact NH2-OG 3.48Å; R109-S415 VanDerWaalsContact NH2-OG 3.08Å; A411-S415 VanDerWaalsContact O-CB 3.3Å; A411-S415 WeakPolarHBondContact O-CB 3.5Å; A411-S415 PolarHBondContact O-N 3.09Å; E412-S415 WeakPolarHBondContact O-CB 3.37Å; E412-S415 PolarHBondContact O-N 2.92Å; A413-S415 VanDerWaalsContact C-N 3.34Å; A413-S415 PolarHBondContact O-N 2.87Å; S415-L419 PolarHBondContact O-N 3.31Å; S415-L419 VanDerWaalsContact O-N 3.17Å
416	F	96.7	Very high	94	Very high	1 Å²	1	24.5 Å²	24.5	0%	0.004	13%	0.128	C	C	.	.	H	α-helix	trans	-63.9	-49	-179.8	174.5	-96.3	0	0	0	112	F284 V328 V330 V393 I395 L405 L407 E412 A413 L414 A418 L419 V420	F284-F416 HydrophobicContact CD1-CB 4.2Å; F284-F416 HydrophobicContact CD1-CD2 4.02Å; F284-F416 AromaticContact CD2-CD2 3.6Å; F284-F416 HydrophobicContact CD2-CD2 3.6Å; F284-F416 HydrophobicContact CD2-CE2 4.1Å; F284-F416 HydrophobicContact CE1-CB 3.79Å; F284-F416 HydrophobicContact CE1-CD2 4.07Å; F284-F416 HydrophobicContact CE1-CG 4.44Å; F284-F416 AromaticContact CE2-CD2 3.66Å; F284-F416 HydrophobicContact CE2-CD2 3.66Å; F284-F416 HydrophobicContact CE2-CE2 4.38Å; F284-F416 AromaticContact CG-CD2 3.79Å; F284-F416 HydrophobicContact CG-CD2 3.79Å; F284-F416 HydrophobicContact CG-CE2 4.45Å; F284-F416 HydrophobicContact CZ-CB 4.05Å; F284-F416 AromaticContact CZ-CD2 3.9Å; F284-F416 HydrophobicContact CZ-CD2 3.9Å; F284-F416 HydrophobicContact CZ-CG 4.49Å; V328-F416 HydrophobicContact CG1-CE2 4.21Å; V330-F416 HydrophobicContact CG2-CE2 3.87Å; V393-F416 HydrophobicContact CB-CD1 4.37Å; V393-F416 HydrophobicContact CG1-CD1 3.9Å; V393-F416 HydrophobicContact CG1-CE1 3.88Å; V393-F416 HydrophobicContact CG2-CD1 4.3Å; I395-F416 HydrophobicContact CD1-CE1 3.84Å; I395-F416 HydrophobicContact CD1-CZ 3.89Å; I395-F416 HydrophobicContact CG1-CE1 4.42Å; L405-F416 HydrophobicContact CD1-CD1 4.35Å; L405-F416 HydrophobicContact CD1-CE1 3.45Å; L405-F416 VanDerWaalsContact CD1-CE1 3.45Å; L405-F416 HydrophobicContact CD1-CE2 4.44Å; L405-F416 HydrophobicContact CD1-CZ 3.5Å; L407-F416 HydrophobicContact CD1-CB 3.84Å; L407-F416 HydrophobicContact CD1-CD1 4.45Å; L407-F416 HydrophobicContact CD1-CG 4.19Å; E412-F416 WeakPolarHBondContact O-CB 3.3Å; E412-F416 PolarHBondContact O-N 3.27Å; A413-F416 PolarHBondContact O-N 3Å; L414-F416 PolarHBondContact O-N 2.81Å; F416-A418 VanDerWaalsContact C-N 3.34Å; F416-A418 PolarHBondContact O-N 2.98Å; F416-L419 VanDerWaalsContact O-CB 3.32Å; F416-L419 WeakPolarHBondContact O-CB 3.08Å; F416-L419 PolarHBondContact O-N 2.9Å; F416-L419 VanDerWaalsContact O-N 3.15Å; F416-V420 HydrophobicContact CE1-CG2 4.11Å; F416-V420 HydrophobicContact CE2-CG2 4.44Å; F416-V420 HydrophobicContact CZ-CG2 4.03Å; F416-V420 PolarHBondContact O-N 3.48Å; F416-V420 VanDerWaalsContact O-N 3.15Å
417	V	96.1	Very high	93.8	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-68.4	-35.1	-179.2	-176	0	0	0	0	111.7	T386 I388 V393 A413 L419 V420 D421 C435 V438	T386-V417 VanDerWaalsContact OG1-CG1 3.3Å; T386-V417 WeakPolarHBondContact OG1-CG1 3.43Å; I388-V417 HydrophobicContact CD1-CB 3.76Å; I388-V417 HydrophobicContact CD1-CG1 4.05Å; I388-V417 HydrophobicContact CD1-CG2 3.68Å; I388-V417 HydrophobicContact CG1-CB 4.3Å; I388-V417 HydrophobicContact CG1-CG1 4.44Å; I388-V417 HydrophobicContact CG1-CG2 3.72Å; V393-V417 HydrophobicContact CB-CG2 4.25Å; V393-V417 HydrophobicContact CG1-CG2 3.42Å; V393-V417 VanDerWaalsContact CG1-CG2 3.42Å; V393-V417 HydrophobicContact CG2-CG2 3.75Å; A413-V417 WeakPolarHBondContact O-CG2 3.42Å; A413-V417 PolarHBondContact O-N 3.27Å; V417-L419 VanDerWaalsContact C-N 3.25Å; V417-L419 PolarHBondContact O-N 3.49Å; V417-V420 PolarHBondContact O-N 3.5Å; V417-D421 WeakPolarHBondContact O-CB 3.5Å; V417-D421 PolarHBondContact O-N 2.99Å; V417-C435 HydrophobicContact CG1-CB 3.75Å; V417-V438 HydrophobicContact CB-CG1 4.33Å; V417-V438 HydrophobicContact CB-CG2 4.26Å; V417-V438 HydrophobicContact CG1-CG2 3.72Å
418	A	96.9	Very high	93.2	Very high	3 Å²	3	21.8 Å²	21.8	3%	0.025	12%	0.116	C	C	.	.	H	α-helix	trans	-62.2	-32.1	173.2	0	0	0	0	0	112.7	L414 F416 G422 V438	L414-A418 WeakPolarHBondContact O-CB 3.24Å; L414-A418 PolarHBondContact O-N 3.18Å; F416-A418 VanDerWaalsContact C-N 3.34Å; F416-A418 PolarHBondContact O-N 2.98Å; A418-G422 PolarHBondContact O-N 2.91Å; A418-V438 HydrophobicContact CB-CB 4.15Å; A418-V438 HydrophobicContact CB-CG1 4.44Å
419	L	97.5	Very high	92.9	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-67.8	-47.5	173.7	-175.8	64.5	0	0	0	111.7	R109 F110 E282 F284 V330 S415 F416 V417 G422 Y423	R109-L419 HydrophobicContact CG-CD1 4.23Å; F110-L419 HydrophobicContact CD1-CD1 4.16Å; F110-L419 HydrophobicContact CE1-CD1 3.93Å; F110-L419 WeakPolarHBondContact CE1-O 3.39Å; E282-L419 HydrophobicContact CB-CD2 3.67Å; E282-L419 HydrophobicContact CG-CD2 4.03Å; E282-L419 VanDerWaalsContact OE1-CD1 3.3Å; E282-L419 WeakPolarHBondContact OE1-CD1 3.37Å; F284-L419 HydrophobicContact CE2-CD2 3.9Å; F284-L419 HydrophobicContact CZ-CD2 4.29Å; V330-L419 HydrophobicContact CB-CD2 3.7Å; V330-L419 HydrophobicContact CG1-CD2 3.8Å; V330-L419 HydrophobicContact CG1-CG 4.09Å; V330-L419 HydrophobicContact CG2-CD2 4.16Å; S415-L419 PolarHBondContact O-N 3.31Å; S415-L419 VanDerWaalsContact O-N 3.17Å; F416-L419 VanDerWaalsContact O-CB 3.32Å; F416-L419 WeakPolarHBondContact O-CB 3.08Å; F416-L419 PolarHBondContact O-N 2.9Å; F416-L419 VanDerWaalsContact O-N 3.15Å; V417-L419 VanDerWaalsContact C-N 3.25Å; V417-L419 PolarHBondContact O-N 3.49Å; L419-G422 PolarHBondContact O-N 3.39Å; L419-Y423 HydrophobicContact CD1-CD2 3.95Å; L419-Y423 HydrophobicContact CD1-CE2 3.51Å; L419-Y423 HydrophobicContact CG-CD2 4.07Å; L419-Y423 HydrophobicContact CG-CE2 3.96Å; L419-Y423 WeakPolarHBondContact O-CD2 3.45Å; L419-Y423 PolarHBondContact O-N 3.12Å; L419-Y423 VanDerWaalsContact O-N 3.13Å
420	V	95.7	Very high	92.7	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-64.7	-43.8	179.6	177.2	0	0	0	0	110.8	I336 F380 I383 F416 V417 F424 L434	I336-V420 HydrophobicContact CD1-CG1 4.1Å; I336-V420 HydrophobicContact CD1-CG2 3.95Å; F380-V420 HydrophobicContact CD1-CG1 4.25Å; F380-V420 HydrophobicContact CE1-CG1 4.38Å; I383-V420 HydrophobicContact CD1-CG1 3.6Å; F416-V420 HydrophobicContact CE1-CG2 4.11Å; F416-V420 HydrophobicContact CE2-CG2 4.44Å; F416-V420 HydrophobicContact CZ-CG2 4.03Å; F416-V420 PolarHBondContact O-N 3.48Å; F416-V420 VanDerWaalsContact O-N 3.15Å; V417-V420 PolarHBondContact O-N 3.5Å; V420-F424 WeakPolarHBondContact O-CB 3.27Å; V420-F424 PolarHBondContact O-N 2.83Å; V420-L434 HydrophobicContact CG1-CD1 3.96Å
421	D	93.8	Very high	92.3	Very high	0 Å²	0	10.7 Å²	10.7	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-62.4	-43.5	176.7	-177.1	83.7	0	0	0	112.6	V417 F424 R425 Y433 L434 V438	V417-D421 WeakPolarHBondContact O-CB 3.5Å; V417-D421 PolarHBondContact O-N 2.99Å; D421-F424 WeakPolarHBondContact O-CB 3.37Å; D421-F424 PolarHBondContact O-N 3.05Å; D421-R425 PolarHBondContact O-N 3.49Å; D421-R425 IonicContact OD2-CZ 3.25Å; D421-R425 IonicContact OD2-NE 2.74Å; D421-R425 PolarHBondContact OD2-NE 3.28Å; D421-R425 IonicContact OD2-NH2 2.64Å; D421-R425 PolarHBondContact OD2-NH2 2.95Å; D421-Y433 VanDerWaalsContact OD1-CA 3.28Å; D421-Y433 WeakPolarHBondContact OD1-CA 3.39Å; D421-Y433 WeakPolarHBondContact OD1-CB 3.47Å; D421-L434 PolarHBondContact OD1-N 3.29Å; D421-V438 HydrophobicContact CB-CG2 4.28Å
422	G	94.8	Very high	91.9	Very high	2 Å²	2	9.7 Å²	9.7	2%	0.021	5%	0.051	C	C	.	.	H	α-helix	trans	-67.2	-40.5	179.7	0	0	0	0	0	113.3	F110 A418 L419 R425 L426	F110-G422 VanDerWaalsContact CE1-CA 3.42Å; A418-G422 PolarHBondContact O-N 2.91Å; L419-G422 PolarHBondContact O-N 3.39Å; G422-R425 PolarHBondContact O-N 3.31Å; G422-L426 WeakPolarHBondContact O-CG 3.38Å; G422-L426 PolarHBondContact O-N 3.5Å
423	Y	95.1	Very high	91.5	Very high	4 Å²	4	9.2 Å²	9.2	2%	0.016	5%	0.048	C	C	.	.	H	α-helix	trans	-65.6	-39.1	171.5	-80.4	-56.4	0	0	0	112.2	F110 Y111 F112 V330 F380 L419 R425 L426 I427	F110-Y423 HydrophobicContact CB-CE1 4.03Å; F110-Y423 HydrophobicContact CD1-CD1 4.06Å; F110-Y423 HydrophobicContact CD1-CD2 4.1Å; F110-Y423 HydrophobicContact CD1-CE1 4.09Å; F110-Y423 HydrophobicContact CD1-CE2 4.15Å; F110-Y423 HydrophobicContact CD1-CG 4.04Å; Y111-Y423 PolarHBondContact N-OH 2.92Å; Y111-Y423 VanDerWaalsContact N-OH 3.1Å; Y111-Y423 PolarHBondContact O-OH 3.48Å; F112-Y423 HydrophobicContact CE1-CD1 4.5Å; F112-Y423 HydrophobicContact CE2-CE1 4.42Å; F112-Y423 HydrophobicContact CZ-CD1 4.07Å; F112-Y423 HydrophobicContact CZ-CE1 4.24Å; V330-Y423 HydrophobicContact CG1-CD2 4.01Å; V330-Y423 HydrophobicContact CG1-CE2 4.12Å; F380-Y423 HydrophobicContact CE1-CD2 4.18Å; F380-Y423 HydrophobicContact CE1-CG 4.24Å; F380-Y423 HydrophobicContact CE2-CD2 4.38Å; F380-Y423 HydrophobicContact CE2-CG 4.01Å; F380-Y423 VanDerWaalsContact CZ-CB 3.42Å; F380-Y423 AromaticContact CZ-CD2 3.66Å; F380-Y423 HydrophobicContact CZ-CD2 3.66Å; F380-Y423 AromaticContact CZ-CG 3.69Å; F380-Y423 HydrophobicContact CZ-CG 3.69Å; L419-Y423 HydrophobicContact CD1-CD2 3.95Å; L419-Y423 HydrophobicContact CD1-CE2 3.51Å; L419-Y423 HydrophobicContact CG-CD2 4.07Å; L419-Y423 HydrophobicContact CG-CE2 3.96Å; L419-Y423 WeakPolarHBondContact O-CD2 3.45Å; L419-Y423 PolarHBondContact O-N 3.12Å; L419-Y423 VanDerWaalsContact O-N 3.13Å; Y423-R425 VanDerWaalsContact C-N 3.28Å; Y423-R425 PolarHBondContact O-N 3.1Å; Y423-L426 PolarHBondContact O-N 3.43Å; Y423-I427 HydrophobicContact CD1-CD1 4.37Å; Y423-I427 WeakPolarHBondContact O-CB 3.36Å; Y423-I427 VanDerWaalsContact O-CG1 3.32Å; Y423-I427 WeakPolarHBondContact O-CG1 3.35Å; Y423-I427 PolarHBondContact O-N 3.42Å
424	F	90.7	Very high	91.1	Very high	1 Å²	1	9.2 Å²	9.2	0%	0.004	5%	0.048	C	C	.	.	H	α-helix	trans	-56.8	-43.1	173.2	177.6	-89.1	0	0	0	111.6	F380 V420 D421 I427 V428 D429 H432 L434	F380-F424 WeakPolarHBondContact O-CD2 3.37Å; V420-F424 WeakPolarHBondContact O-CB 3.27Å; V420-F424 PolarHBondContact O-N 2.83Å; D421-F424 WeakPolarHBondContact O-CB 3.37Å; D421-F424 PolarHBondContact O-N 3.05Å; F424-I427 PolarHBondContact O-N 3.3Å; F424-V428 HydrophobicContact CD2-CB 3.74Å; F424-V428 HydrophobicContact CD2-CG1 4.12Å; F424-V428 HydrophobicContact CD2-CG2 3.63Å; F424-V428 HydrophobicContact CE1-CB 4.45Å; F424-V428 HydrophobicContact CE2-CB 3.66Å; F424-V428 HydrophobicContact CE2-CG1 3.52Å; F424-V428 HydrophobicContact CE2-CG2 3.93Å; F424-V428 HydrophobicContact CG-CB 4.19Å; F424-V428 HydrophobicContact CG-CG2 4.25Å; F424-V428 HydrophobicContact CZ-CB 4.03Å; F424-V428 HydrophobicContact CZ-CG1 3.8Å; F424-V428 WeakPolarHBondContact O-CA 3.25Å; F424-V428 VanDerWaalsContact O-CB 3.29Å; F424-V428 WeakPolarHBondContact O-CB 3.24Å; F424-V428 PolarHBondContact O-N 3.23Å; F424-D429 HydrophobicContact CE1-CB 3.96Å; F424-D429 HydrophobicContact CZ-CB 4.27Å; F424-D429 PolarHBondContact O-N 3.12Å; F424-D429 VanDerWaalsContact O-N 3.14Å; F424-H432 HydrophobicContact CE1-CB 4.23Å; F424-H432 AromaticContact CE1-CD2 3.93Å; F424-L434 HydrophobicContact CB-CD1 3.68Å; F424-L434 HydrophobicContact CB-CG 4.13Å; F424-L434 HydrophobicContact CD1-CD1 4.39Å; F424-L434 HydrophobicContact CD1-CD2 4.12Å; F424-L434 HydrophobicContact CD1-CG 3.91Å; F424-L434 HydrophobicContact CD2-CD1 3.92Å; F424-L434 HydrophobicContact CD2-CD2 3.78Å; F424-L434 HydrophobicContact CD2-CG 4.03Å; F424-L434 HydrophobicContact CE1-CD2 4.09Å; F424-L434 HydrophobicContact CE1-CG 4.34Å; F424-L434 HydrophobicContact CE2-CD2 3.73Å; F424-L434 HydrophobicContact CE2-CG 4.43Å; F424-L434 HydrophobicContact CG-CD1 3.74Å; F424-L434 HydrophobicContact CG-CD2 3.98Å; F424-L434 HydrophobicContact CG-CG 3.75Å; F424-L434 HydrophobicContact CZ-CD2 3.9Å
425	R	91.4	Very high	90.6	Very high	21 Å²	21	8.3 Å²	8.3	8%	0.079	4%	0.044	C	C	.	.	H	α-helix	trans	-67.3	-35.2	176.4	-76.8	-173.6	-71.2	122.9	1	114.1	D421 G422 Y423 D429 A430 H432 P440	D421-R425 PolarHBondContact O-N 3.49Å; D421-R425 IonicContact OD2-CZ 3.25Å; D421-R425 IonicContact OD2-NE 2.74Å; D421-R425 PolarHBondContact OD2-NE 3.28Å; D421-R425 IonicContact OD2-NH2 2.64Å; D421-R425 PolarHBondContact OD2-NH2 2.95Å; G422-R425 PolarHBondContact O-N 3.31Å; Y423-R425 VanDerWaalsContact C-N 3.28Å; Y423-R425 PolarHBondContact O-N 3.1Å; R425-D429 WeakPolarHBondContact CA-O 3.4Å; R425-A430 VanDerWaalsContact O-CA 3.27Å; R425-A430 WeakPolarHBondContact O-CA 3.49Å; R425-A430 PolarHBondContact O-N 3.48Å; R425-H432 VanDerWaalsContact CD-O 3.3Å; R425-H432 WeakPolarHBondContact CD-O 3.31Å; R425-H432 WeakPolarHBondContact CG-O 3.41Å; R425-P440 VanDerWaalsContact NH2-CG 3.29Å
426	L	93.1	Very high	89.9	Confident	1 Å²	1	14.6 Å²	14.6	1%	0.005	7%	0.07	C	C	.	.	H	α-helix	trans	-75	-25.2	179.3	-73.3	163.3	0	0	0	113.1	N75 L76 F110 F112 G422 Y423 L563 V564	N75-L426 WeakPolarHBondContact ND2-CD2 3.44Å; L76-L426 HydrophobicContact CD2-CD1 3.78Å; L76-L426 HydrophobicContact CD2-CD2 3.8Å; L76-L426 HydrophobicContact CD2-CG 4.48Å; F110-L426 HydrophobicContact CB-CD1 3.47Å; F110-L426 VanDerWaalsContact CB-CD1 3.47Å; F110-L426 HydrophobicContact CD1-CD1 4.14Å; F110-L426 HydrophobicContact CD2-CD1 4.38Å; F110-L426 HydrophobicContact CG-CD1 3.74Å; F112-L426 HydrophobicContact CE2-CB 4.41Å; F112-L426 HydrophobicContact CE2-CD1 4.15Å; F112-L426 HydrophobicContact CZ-CB 4.01Å; F112-L426 HydrophobicContact CZ-CD1 4.4Å; G422-L426 WeakPolarHBondContact O-CG 3.38Å; G422-L426 PolarHBondContact O-N 3.5Å; Y423-L426 PolarHBondContact O-N 3.43Å; L426-L563 CarbonylContact O-C 3.52Å; L426-L563 WeakPolarHBondContact O-CA 3.18Å; L426-V564 HydrophobicContact CB-CG2 4.39Å; L426-V564 HydrophobicContact CD2-CG2 4.47Å; L426-V564 PolarHBondContact O-N 3.4Å
427	I	86.8	Confident	89.5	Confident	12 Å²	12	18.7 Å²	18.7	6%	0.062	9%	0.089	C	C	.	.	H	α-helix	trans	-114.2	-43	-169.7	-59.2	166.8	0	0	0	111.9	F112 G332 F380 H381 Y423 F424	F112-I427 HydrophobicContact CE1-CD1 3.79Å; F112-I427 HydrophobicContact CE1-CG1 3.81Å; F112-I427 HydrophobicContact CZ-CD1 4.15Å; F112-I427 HydrophobicContact CZ-CG1 3.91Å; G332-I427 WeakPolarHBondContact O-CD1 3.44Å; F380-I427 HydrophobicContact CD2-CD1 3.57Å; F380-I427 HydrophobicContact CE2-CD1 3.88Å; H381-I427 WeakPolarHBondContact CE1-CG2 3.49Å; Y423-I427 HydrophobicContact CD1-CD1 4.37Å; Y423-I427 WeakPolarHBondContact O-CB 3.36Å; Y423-I427 VanDerWaalsContact O-CG1 3.32Å; Y423-I427 WeakPolarHBondContact O-CG1 3.35Å; Y423-I427 PolarHBondContact O-N 3.42Å; F424-I427 PolarHBondContact O-N 3.3Å
428	V	81.3	Confident	89.4	Confident	12 Å²	12	18.7 Å²	18.7	7%	0.073	9%	0.089	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.5	-55.9	-167.8	-171.3	0	0	0	0	111.8	F380 H381 F424 R556	F380-V428 HydrophobicContact CB-CG2 3.95Å; H381-V428 HydrophobicContact CB-CG2 4.25Å; F424-V428 HydrophobicContact CD2-CB 3.74Å; F424-V428 HydrophobicContact CD2-CG1 4.12Å; F424-V428 HydrophobicContact CD2-CG2 3.63Å; F424-V428 HydrophobicContact CE1-CB 4.45Å; F424-V428 HydrophobicContact CE2-CB 3.66Å; F424-V428 HydrophobicContact CE2-CG1 3.52Å; F424-V428 HydrophobicContact CE2-CG2 3.93Å; F424-V428 HydrophobicContact CG-CB 4.19Å; F424-V428 HydrophobicContact CG-CG2 4.25Å; F424-V428 HydrophobicContact CZ-CB 4.03Å; F424-V428 HydrophobicContact CZ-CG1 3.8Å; F424-V428 WeakPolarHBondContact O-CA 3.25Å; F424-V428 VanDerWaalsContact O-CB 3.29Å; F424-V428 WeakPolarHBondContact O-CB 3.24Å; F424-V428 PolarHBondContact O-N 3.23Å; V428-R556 HydrophobicContact CG1-CG 4.44Å
429	D	83.5	Confident	89	Confident	10 Å²	10	18.7 Å²	18.7	5%	0.053	9%	0.09	C	C	.	.			trans	-155.2	106.1	-172.9	-165.2	-33.6	0	0	0	111.9	F424 R425 H431 H432 P555 R556	F424-D429 HydrophobicContact CE1-CB 3.96Å; F424-D429 HydrophobicContact CZ-CB 4.27Å; F424-D429 PolarHBondContact O-N 3.12Å; F424-D429 VanDerWaalsContact O-N 3.14Å; R425-D429 WeakPolarHBondContact CA-O 3.4Å; D429-H431 PolarHBondContact O-N 3.49Å; D429-H431 PolarHBondContact OD1-N 2.88Å; D429-H432 HydrophobicContact CB-CB 3.96Å; D429-H432 PolarHBondContact O-N 2.84Å; D429-H432 PolarHBondContact OD1-N 3.16Å; D429-P555 WeakPolarHBondContact OD2-CA 3.21Å; D429-P555 WeakPolarHBondContact OD2-CB 3.32Å; D429-R556 PolarHBondContact OD2-N 2.97Å; D429-R556 VanDerWaalsContact OD2-N 3.07Å
430	A	87.7	Confident	88.9	Confident	17 Å²	17	18.8 Å²	18.8	14%	0.14	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-17.2	-175.2	0	0	0	0	0	114.4	R425 L562 L563	R425-A430 VanDerWaalsContact O-CA 3.27Å; R425-A430 WeakPolarHBondContact O-CA 3.49Å; R425-A430 PolarHBondContact O-N 3.48Å; A430-L562 HydrophobicContact CB-CB 3.59Å; A430-L562 HydrophobicContact CB-CD1 3.76Å; A430-L562 HydrophobicContact CB-CG 4.32Å; A430-L563 HydrophobicContact CB-CD2 4.08Å
431	H	85.1	Confident	88.6	Confident	24 Å²	24	21.3 Å²	21.3	11%	0.111	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.9	5.8	-173.9	-54.1	97.3	0	0	0	112.9	D429 T447 H452 G453 P553	D429-H431 PolarHBondContact O-N 3.49Å; D429-H431 PolarHBondContact OD1-N 2.88Å; H431-T447 PolarHBondContact O-OG1 3.11Å; H431-H452 WeakPolarHBondContact NE2-CA 3.34Å; H431-H452 AromaticContact NE2-CD2 4Å; H431-G453 PolarHBondContact CD2-N 3.5Å; H431-G453 PolarHBondContact NE2-N 3.26Å; H431-P553 HydrophobicContact CB-CB 3.85Å; H431-P553 HydrophobicContact CB-CG 4.27Å
432	H	83	Confident	88.4	Confident	28 Å²	28	23.8 Å²	23.8	13%	0.13	12%	0.124	C	C	.	.			trans	-119.9	163.6	-179.8	-165.4	68.3	0	0	0	111.8	F424 R425 D429	F424-H432 HydrophobicContact CE1-CB 4.23Å; F424-H432 AromaticContact CE1-CD2 3.93Å; R425-H432 VanDerWaalsContact CD-O 3.3Å; R425-H432 WeakPolarHBondContact CD-O 3.31Å; R425-H432 WeakPolarHBondContact CG-O 3.41Å; D429-H432 HydrophobicContact CB-CB 3.96Å; D429-H432 PolarHBondContact O-N 2.84Å; D429-H432 PolarHBondContact OD1-N 3.16Å
433	Y	86.3	Confident	88.1	Confident	23 Å²	23	24.5 Å²	24.5	9%	0.09	13%	0.128	C	C	.	.			trans	-142	145.2	179.8	61.4	-91.1	0	0	0	111.1	D421 K436 A439 V443 V444 R858	D421-Y433 VanDerWaalsContact OD1-CA 3.28Å; D421-Y433 WeakPolarHBondContact OD1-CA 3.39Å; D421-Y433 WeakPolarHBondContact OD1-CB 3.47Å; Y433-K436 HydrophobicContact CE2-CB 3.82Å; Y433-K436 HydrophobicContact CE2-CG 4.18Å; Y433-A439 HydrophobicContact CD1-CB 4.23Å; Y433-A439 HydrophobicContact CD2-CB 3.59Å; Y433-A439 HydrophobicContact CE2-CB 4.18Å; Y433-A439 HydrophobicContact CG-CB 3.62Å; Y433-V443 HydrophobicContact CD1-CG1 4.26Å; Y433-V444 HydrophobicContact CD1-CG2 4.39Å; Y433-V444 HydrophobicContact CE1-CG2 4.01Å; Y433-R858 PolarHBondContact O-NH1 2.82Å
434	L	84.7	Confident	87.7	Confident	0 Å²	0	25.5 Å²	25.5	0%	0	14%	0.135	C	C	.	.	S	Bend	trans	-83.7	-33.5	-174.2	-66.3	177.1	0	0	0	113.1	I383 T386 V420 D421 F424	I383-L434 HydrophobicContact CB-CD1 4.33Å; I383-L434 HydrophobicContact CB-CD2 4.39Å; I383-L434 HydrophobicContact CD1-CD1 4.41Å; I383-L434 HydrophobicContact CG2-CD1 3.85Å; I383-L434 HydrophobicContact CG2-CD2 3.93Å; I383-L434 HydrophobicContact CG2-CG 4.49Å; T386-L434 HydrophobicContact CG2-CB 4.41Å; T386-L434 HydrophobicContact CG2-CD1 4.44Å; T386-L434 PolarHBondContact N-O 3.07Å; V420-L434 HydrophobicContact CG1-CD1 3.96Å; D421-L434 PolarHBondContact OD1-N 3.29Å; F424-L434 HydrophobicContact CB-CD1 3.68Å; F424-L434 HydrophobicContact CB-CG 4.13Å; F424-L434 HydrophobicContact CD1-CD1 4.39Å; F424-L434 HydrophobicContact CD1-CD2 4.12Å; F424-L434 HydrophobicContact CD1-CG 3.91Å; F424-L434 HydrophobicContact CD2-CD1 3.92Å; F424-L434 HydrophobicContact CD2-CD2 3.78Å; F424-L434 HydrophobicContact CD2-CG 4.03Å; F424-L434 HydrophobicContact CE1-CD2 4.09Å; F424-L434 HydrophobicContact CE1-CG 4.34Å; F424-L434 HydrophobicContact CE2-CD2 3.73Å; F424-L434 HydrophobicContact CE2-CG 4.43Å; F424-L434 HydrophobicContact CG-CD1 3.74Å; F424-L434 HydrophobicContact CG-CD2 3.98Å; F424-L434 HydrophobicContact CG-CG 3.75Å; F424-L434 HydrophobicContact CZ-CD2 3.9Å
435	C	85.4	Confident	87.6	Confident	9 Å²	9	28.9 Å²	28.9	6%	0.061	15%	0.15	C	C	.	.			trans	-140.5	125.3	-179.1	177.6	0	0	0	0	110.6	T386 V417 E437 V438 A439	T386-C435 WeakPolarHBondContact O-CB 3.2Å; T386-C435 VanDerWaalsContact OG1-CB 3.26Å; T386-C435 WeakPolarHBondContact OG1-CB 3.42Å; V417-C435 HydrophobicContact CG1-CB 3.75Å; C435-E437 VanDerWaalsContact C-N 3.31Å; C435-E437 PolarHBondContact O-N 3.2Å; C435-V438 HydrophobicContact CB-CG2 4.06Å; C435-V438 PolarHBondContact O-N 3.14Å; C435-A439 PolarHBondContact O-N 3.3Å
436	K	83.3	Confident	87.4	Confident	138 Å²	138	28.5 Å²	28.5	60%	0.6	15%	0.15	S	C	*	.	G	3₁₀ helix	trans	-64.2	-34	-177	-169.1	174.2	177.9	174.9	0	112.7	Y433 V438 A439	Y433-K436 HydrophobicContact CE2-CB 3.82Å; Y433-K436 HydrophobicContact CE2-CG 4.18Å; K436-V438 PolarHBondContact O-N 3.1Å; K436-A439 PolarHBondContact O-N 3.05Å
437	E	87.9	Confident	86.8	Confident	87 Å²	87	31.9 Å²	31.9	41%	0.407	17%	0.171	S	C	.	.	G	3₁₀ helix	trans	-62	-29.8	-177.2	-69.9	-166.9	-150.1	0	0	113.5	S91 R410 L414 C435	S91-E437 PolarHBondContact OG-O 3.26Å; R410-E437 IonicContact CZ-OE2 3.36Å; R410-E437 IonicContact NH2-OE1 3.75Å; R410-E437 IonicContact NH2-OE2 3.82Å; R410-E437 PolarHBondContact NH2-OE2 3.39Å; L414-E437 HydrophobicContact CD2-CB 4.49Å; C435-E437 VanDerWaalsContact C-N 3.31Å; C435-E437 PolarHBondContact O-N 3.2Å
438	V	93.9	Very high	86.5	Confident	0 Å²	0	38.5 Å²	38.5	0%	0	20%	0.201	C	C	.	.	G	3₁₀ helix	trans	-108.4	-1.7	179.9	-59.2	0	0	0	0	113.3	S91 I388 L414 V417 A418 D421 C435 K436	S91-V438 WeakPolarHBondContact OG-CA 3.46Å; I388-V438 HydrophobicContact CD1-CG1 3.99Å; L414-V438 HydrophobicContact CB-CG1 4.35Å; L414-V438 HydrophobicContact CD2-CG1 3.71Å; V417-V438 HydrophobicContact CB-CG1 4.33Å; V417-V438 HydrophobicContact CB-CG2 4.26Å; V417-V438 HydrophobicContact CG1-CG2 3.72Å; A418-V438 HydrophobicContact CB-CB 4.15Å; A418-V438 HydrophobicContact CB-CG1 4.44Å; D421-V438 HydrophobicContact CB-CG2 4.28Å; C435-V438 HydrophobicContact CB-CG2 4.06Å; C435-V438 PolarHBondContact O-N 3.14Å; K436-V438 PolarHBondContact O-N 3.1Å
439	A	89.3	Confident	86.5	Confident	4 Å²	4	40 Å²	40	3%	0.033	21%	0.21	C	C	.	.	S	Bend	trans	-66.9	136.3	-175.3	0	0	0	0	0	110.6	S91 Y433 C435 K436 A441 V444	S91-A439 WeakPolarHBondContact CB-O 3.46Å; Y433-A439 HydrophobicContact CD1-CB 4.23Å; Y433-A439 HydrophobicContact CD2-CB 3.59Å; Y433-A439 HydrophobicContact CE2-CB 4.18Å; Y433-A439 HydrophobicContact CG-CB 3.62Å; C435-A439 PolarHBondContact O-N 3.3Å; K436-A439 PolarHBondContact O-N 3.05Å; A439-A441 PolarHBondContact O-N 3.46Å; A439-V444 HydrophobicContact CB-CG2 3.8Å
440	P	93.6	Very high	86.5	Confident	2 Å²	2	40 Å²	40	1%	0.013	21%	0.213	C	C	.	.			trans	-60.5	137.5	173.3	-10.3	20.3	0	0	0	111.1	E57 P90 R425 L442 V443 V444	E57-P440 WeakPolarHBondContact OE1-CB 3.31Å; P90-P440 HydrophobicContact CB-CB 3.87Å; P90-P440 HydrophobicContact CB-CG 4.03Å; P90-P440 HydrophobicContact CG-CG 4.13Å; R425-P440 VanDerWaalsContact NH2-CG 3.29Å; P440-L442 PolarHBondContact O-N 3.49Å; P440-V443 HydrophobicContact CB-CB 4.31Å; P440-V443 HydrophobicContact CB-CG2 4Å; P440-V443 HydrophobicContact CG-CB 4.3Å; P440-V443 HydrophobicContact CG-CG2 3.82Å; P440-V443 PolarHBondContact O-N 3.24Å; P440-V443 VanDerWaalsContact O-N 3.09Å; P440-V444 WeakPolarHBondContact O-CG2 3.44Å; P440-V444 PolarHBondContact O-N 3.21Å; P440-V444 VanDerWaalsContact O-N 3.12Å
441	A	89.9	Confident	86.6	Confident	53 Å²	53	39.2 Å²	39.2	44%	0.438	21%	0.206	S	C	.	.	H	α-helix	trans	-60	-39.2	-177.8	0	0	0	0	0	110.7	E57 A439 V443 V444 Q445	E57-A441 PolarHBondContact OE2-N 2.87Å; A439-A441 PolarHBondContact O-N 3.46Å; A441-V443 VanDerWaalsContact C-N 3.34Å; A441-V443 PolarHBondContact O-N 3.41Å; A441-V444 PolarHBondContact O-N 3.01Å; A441-Q445 WeakPolarHBondContact O-CB 3.46Å; A441-Q445 PolarHBondContact O-N 3.03Å
442	L	89.3	Confident	87	Confident	52 Å²	52	38.1 Å²	38.1	27%	0.272	20%	0.202	S	C	.	.	H	α-helix	trans	-62.2	-39.5	177.2	-169.2	65	0	0	0	112.5	E57 P440 N446 W478	E57-L442 VanDerWaalsContact OE1-CB 3.27Å; E57-L442 WeakPolarHBondContact OE1-CB 3.14Å; E57-L442 PolarHBondContact OE2-N 3.28Å; P440-L442 PolarHBondContact O-N 3.49Å; L442-N446 WeakPolarHBondContact O-CB 3.13Å; L442-N446 PolarHBondContact O-N 2.78Å; L442-N446 PolarHBondContact O-ND2 3.32Å; L442-W478 HydrophobicContact CD1-CH2 4.17Å; L442-W478 HydrophobicContact CD1-CZ2 3.45Å; L442-W478 VanDerWaalsContact CD1-CZ2 3.45Å
443	V	89.7	Confident	87.4	Confident	17 Å²	17	37.2 Å²	37.2	10%	0.103	20%	0.2	C	C	.	.	H	α-helix	trans	-67	-44.5	178.2	174.9	0	0	0	0	110.2	Y433 P440 A441 Q445 N446 T447	Y433-V443 HydrophobicContact CD1-CG1 4.26Å; P440-V443 HydrophobicContact CB-CB 4.31Å; P440-V443 HydrophobicContact CB-CG2 4Å; P440-V443 HydrophobicContact CG-CB 4.3Å; P440-V443 HydrophobicContact CG-CG2 3.82Å; P440-V443 PolarHBondContact O-N 3.24Å; P440-V443 VanDerWaalsContact O-N 3.09Å; A441-V443 VanDerWaalsContact C-N 3.34Å; A441-V443 PolarHBondContact O-N 3.41Å; V443-Q445 PolarHBondContact O-N 3.06Å; V443-N446 PolarHBondContact O-N 3.46Å; V443-T447 PolarHBondContact O-N 3.44Å; V443-T447 PolarHBondContact O-OG1 3.35Å
444	V	87.1	Confident	87.7	Confident	25 Å²	25	37.1 Å²	37.1	15%	0.152	20%	0.202	C	C	.	.	H	α-helix	trans	-59	-48.6	176.8	178	0	0	0	0	110.6	Y433 A439 P440 A441 N446 T447 E448	Y433-V444 HydrophobicContact CD1-CG2 4.39Å; Y433-V444 HydrophobicContact CE1-CG2 4.01Å; A439-V444 HydrophobicContact CB-CG2 3.8Å; P440-V444 WeakPolarHBondContact O-CG2 3.44Å; P440-V444 PolarHBondContact O-N 3.21Å; P440-V444 VanDerWaalsContact O-N 3.12Å; A441-V444 PolarHBondContact O-N 3.01Å; V444-N446 PolarHBondContact O-N 2.97Å; V444-T447 PolarHBondContact O-N 3.32Å; V444-E448 PolarHBondContact O-N 3.48Å
445	Q	87.3	Confident	88.1	Confident	71 Å²	71	37.4 Å²	37.4	33%	0.332	20%	0.203	S	C	.	.	H	α-helix	trans	-62.8	-40.3	177.8	-174.7	-177.5	1.8	0	0	112.6	A441 V443 T447 E448 T449 Y514	A441-Q445 WeakPolarHBondContact O-CB 3.46Å; A441-Q445 PolarHBondContact O-N 3.03Å; V443-Q445 PolarHBondContact O-N 3.06Å; Q445-T447 VanDerWaalsContact C-N 3.34Å; Q445-T447 PolarHBondContact O-N 3.13Å; Q445-E448 PolarHBondContact O-N 3.26Å; Q445-T449 HydrophobicContact CG-CG2 4.45Å; Q445-T449 WeakPolarHBondContact O-CB 3.42Å; Q445-T449 WeakPolarHBondContact O-CG2 3.42Å; Q445-T449 PolarHBondContact O-N 3Å; Q445-T449 PolarHBondContact O-OG1 3.01Å; Q445-Y514 PolarHBondContact NE2-OH 3.3Å
446	N	88.2	Confident	88.3	Confident	14 Å²	14	38.7 Å²	38.7	8%	0.075	21%	0.212	C	C	.	.	H	α-helix	trans	-63.6	-39.4	177.4	-79.3	-16	0	0	0	111.9	L442 V443 V444 E448 T449 G450 C451 W478	L442-N446 WeakPolarHBondContact O-CB 3.13Å; L442-N446 PolarHBondContact O-N 2.78Å; L442-N446 PolarHBondContact O-ND2 3.32Å; V443-N446 PolarHBondContact O-N 3.46Å; V444-N446 PolarHBondContact O-N 2.97Å; N446-E448 VanDerWaalsContact C-N 3.32Å; N446-E448 PolarHBondContact O-N 3.25Å; N446-T449 PolarHBondContact O-N 3.31Å; N446-T449 PolarHBondContact O-OG1 3.28Å; N446-G450 WeakPolarHBondContact O-CA 3.49Å; N446-G450 PolarHBondContact O-N 3.06Å; N446-C451 HydrophobicContact CB-CB 4.41Å; N446-C451 WeakPolarHBondContact CB-O 3.31Å; N446-C451 PolarHBondContact O-N 3.42Å; N446-W478 PolarHBondContact ND2-NE1 3.17Å; N446-W478 VanDerWaalsContact ND2-NE1 3.19Å; N446-W478 PolarHBondContact OD1-NE1 3.41Å
447	T	80.4	Confident	88.6	Confident	72 Å²	72	34.6 Å²	34.6	44%	0.442	20%	0.199	S	C	.	.	H	α-helix	trans	-62.7	-39.8	174.9	-52.5	0	0	0	0	111.5	H431 V443 V444 Q445	H431-T447 PolarHBondContact O-OG1 3.11Å; V443-T447 PolarHBondContact O-N 3.44Å; V443-T447 PolarHBondContact O-OG1 3.35Å; V444-T447 PolarHBondContact O-N 3.32Å; Q445-T447 VanDerWaalsContact C-N 3.34Å; Q445-T447 PolarHBondContact O-N 3.13Å
448	E	79.6	Confident	88.6	Confident	151 Å²	151	36.3 Å²	36.3	71%	0.706	21%	0.207	S	C	*	.	H	α-helix	trans	-71.8	-37	179.2	-68.9	176.2	179.9	0	0	113	V444 Q445 N446	V444-E448 PolarHBondContact O-N 3.48Å; Q445-E448 PolarHBondContact O-N 3.26Å; N446-E448 VanDerWaalsContact C-N 3.32Å; N446-E448 PolarHBondContact O-N 3.25Å
449	T	81.3	Confident	88.4	Confident	42 Å²	42	37.2 Å²	37.2	26%	0.258	21%	0.21	S	C	.	.	H	α-helix	trans	-88.3	-8.9	-178.7	54.3	0	0	0	0	113.7	Q445 N446 C451 L526	Q445-T449 HydrophobicContact CG-CG2 4.45Å; Q445-T449 WeakPolarHBondContact O-CB 3.42Å; Q445-T449 WeakPolarHBondContact O-CG2 3.42Å; Q445-T449 PolarHBondContact O-N 3Å; Q445-T449 PolarHBondContact O-OG1 3.01Å; N446-T449 PolarHBondContact O-N 3.31Å; N446-T449 PolarHBondContact O-OG1 3.28Å; T449-C451 VanDerWaalsContact C-N 3.26Å; T449-C451 PolarHBondContact O-N 3.24Å; T449-L526 HydrophobicContact CG2-CD2 4.5Å
450	G	83.4	Confident	88.5	Confident	11 Å²	11	37 Å²	37	11%	0.113	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.4	22.5	-174.2	0	0	0	0	0	113.5	N446 P553	N446-G450 WeakPolarHBondContact O-CA 3.49Å; N446-G450 PolarHBondContact O-N 3.06Å; G450-P553 WeakPolarHBondContact O-CD 3.41Å
451	C	90.6	Very high	88.3	Confident	0 Å²	0	37.8 Å²	37.8	0%	0	21%	0.213	C	C	.	.			trans	-86.2	136.5	178.8	-169.6	0	0	0	0	111	N446 T449 L476	N446-C451 HydrophobicContact CB-CB 4.41Å; N446-C451 WeakPolarHBondContact CB-O 3.31Å; N446-C451 PolarHBondContact O-N 3.42Å; T449-C451 VanDerWaalsContact C-N 3.26Å; T449-C451 PolarHBondContact O-N 3.24Å; C451-L476 HydrophobicContact CB-CB 4.16Å
452	H	92.5	Very high	88.1	Confident	2 Å²	2	38.4 Å²	38.4	1%	0.009	21%	0.207	C	C	.	.	B	Isolated β-bridge	trans	-80.4	157.5	173.3	-59.9	71.9	0	0	0	110.6	H431 I455 K463 L476 R477 W478 C551 P553 E558	H431-H452 WeakPolarHBondContact NE2-CA 3.34Å; H431-H452 AromaticContact NE2-CD2 4Å; H452-I455 HydrophobicContact CB-CD1 3.88Å; H452-I455 HydrophobicContact CB-CG1 4.06Å; H452-I455 HydrophobicContact CB-CG2 4.35Å; H452-K463 PolarHBondContact NE2-NZ 2.9Å; H452-L476 WeakPolarHBondContact CB-O 3.42Å; H452-L476 PolarHBondContact N-O 3.32Å; H452-L476 PolarHBondContact ND1-O 3.38Å; H452-R477 HydrophobicContact CB-CB 3.99Å; H452-R477 WeakPolarHBondContact O-CA 3.39Å; H452-W478 VanDerWaalsContact O-CD1 3.23Å; H452-W478 PolarHBondContact O-N 3.39Å; H452-C551 PolarHBondContact CE1-O 3.07Å; H452-P553 HydrophobicContact CB-CG 4.48Å; H452-E558 IonicContact NE2-OE2 3.57Å
453	G	91.2	Very high	88	Confident	9 Å²	9	36.4 Å²	36.4	9%	0.093	20%	0.196	C	C	.	.			trans	-63.2	-168.3	161.8	0	0	0	0	0	112.4	H431 I455 W478	H431-G453 PolarHBondContact CD2-N 3.5Å; H431-G453 PolarHBondContact NE2-N 3.26Å; G453-I455 PolarHBondContact O-N 3.44Å; G453-W478 PolarHBondContact O-N 3.19Å
454	P	93.4	Very high	87.9	Confident	20 Å²	20	35.6 Å²	35.6	13%	0.13	19%	0.191	C	C	.	.	S	Bend	trans	-74.3	62.9	-176	29.5	-33.4	0	0	0	113.3	P71 W478 C480 N561 L562	P71-P454 HydrophobicContact CB-CB 4.16Å; P71-P454 HydrophobicContact CB-CG 4.27Å; P454-W478 WeakPolarHBondContact CA-O 3.35Å; P454-W478 HydrophobicContact CB-CB 4.47Å; P454-C480 PolarHBondContact O-SG 2.8Å; P454-N561 PolarHBondContact O-ND2 2.75Å; P454-N561 VanDerWaalsContact O-ND2 3.12Å; P454-L562 HydrophobicContact CG-CD2 3.78Å
455	I	92.3	Very high	87.7	Confident	6 Å²	6	41.5 Å²	41.5	3%	0.031	21%	0.211	C	C	.	.			trans	-74.8	140.1	175.3	64.7	170.6	0	0	0	110.6	H452 G453 A460 I475 R477 C480 N561 L562	H452-I455 HydrophobicContact CB-CD1 3.88Å; H452-I455 HydrophobicContact CB-CG1 4.06Å; H452-I455 HydrophobicContact CB-CG2 4.35Å; G453-I455 PolarHBondContact O-N 3.44Å; I455-A460 HydrophobicContact CD1-CB 4.15Å; I455-I475 HydrophobicContact CD1-CG2 4.41Å; I455-R477 HydrophobicContact CD1-CB 4.34Å; I455-R477 HydrophobicContact CG1-CB 3.78Å; I455-R477 HydrophobicContact CG1-CG 4.38Å; I455-R477 PolarHBondContact O-NH1 3.45Å; I455-C480 VanDerWaalsContact C-SG 3.55Å; I455-C480 PolarHBondContact O-SG 3.37Å; I455-N561 WeakPolarHBondContact CA-OD1 3.33Å; I455-L562 HydrophobicContact CG2-CD1 3.71Å; I455-L562 HydrophobicContact CG2-CG 4Å
456	C	89.6	Confident	87.3	Confident	37 Å²	37	44.5 Å²	44.5	25%	0.25	23%	0.225	C	C	.	.			trans	-66.1	155.3	176.9	-60.3	0	0	0	0	111.2	E458 Y459 A460 N561	C456-E458 VanDerWaalsContact CB-OE2 3.25Å; C456-E458 WeakPolarHBondContact CB-OE2 3.24Å; C456-E458 PolarHBondContact O-N 3.49Å; C456-E458 VanDerWaalsContact O-N 3.15Å; C456-Y459 HydrophobicContact CB-CD2 4.26Å; C456-Y459 PolarHBondContact O-N 3.41Å; C456-Y459 VanDerWaalsContact O-N 3.09Å; C456-A460 PolarHBondContact O-N 3.26Å; C456-N561 PolarHBondContact N-OD1 2.92Å; C456-N561 PolarHBondContact SG-ND2 3.28Å
457	T	89.9	Confident	86.9	Confident	52 Å²	52	45.7 Å²	45.7	32%	0.319	23%	0.23	S	C	.	.	H	α-helix	trans	-55.8	-34.8	-178.7	-52	0	0	0	0	111.9	Y459 A460 V461 R477	T457-Y459 PolarHBondContact O-N 3.1Å; T457-A460 PolarHBondContact O-N 3.43Å; T457-V461 HydrophobicContact CG2-CG2 4.29Å; T457-V461 WeakPolarHBondContact O-CB 3.3Å; T457-V461 VanDerWaalsContact O-CG2 3.29Å; T457-V461 WeakPolarHBondContact O-CG2 3.46Å; T457-V461 PolarHBondContact O-N 3.05Å; T457-R477 PolarHBondContact OG1-NH2 3Å
458	E	88.7	Confident	86.8	Confident	122 Å²	122	44.8 Å²	44.8	57%	0.57	24%	0.235	S	C	*	.	H	α-helix	trans	-62.5	-40.4	179.5	-61.6	80.9	179.7	0	0	112.6	L130 C456 V461 Q462	L130-E458 HydrophobicContact CD1-CB 3.92Å; C456-E458 VanDerWaalsContact CB-OE2 3.25Å; C456-E458 WeakPolarHBondContact CB-OE2 3.24Å; C456-E458 PolarHBondContact O-N 3.49Å; C456-E458 VanDerWaalsContact O-N 3.15Å; E458-V461 PolarHBondContact O-N 2.85Å; E458-Q462 WeakPolarHBondContact O-CB 3.39Å; E458-Q462 PolarHBondContact O-N 3.29Å
459	Y	89.4	Confident	87.1	Confident	20 Å²	20	39.2 Å²	39.2	8%	0.078	21%	0.21	C	C	.	.	H	α-helix	trans	-70.4	-40.3	176.5	-74.8	-76.2	0	0	0	111.8	H128 C129 L130 C456 T457 V461 Q462 K463 I559 N561	H128-Y459 AromaticContact ND1-CE1 3.9Å; H128-Y459 AromaticContact ND1-CZ 3.73Å; H128-Y459 PolarHBondContact ND1-OH 3.04Å; H128-Y459 PolarHBondContact O-OH 2.73Å; C129-Y459 VanDerWaalsContact CA-OH 3.3Å; C129-Y459 WeakPolarHBondContact CA-OH 3.41Å; C129-Y459 PolarHBondContact N-OH 2.87Å; L130-Y459 HydrophobicContact CD1-CD1 3.8Å; L130-Y459 HydrophobicContact CD1-CD2 4.39Å; L130-Y459 HydrophobicContact CD1-CE1 3.86Å; L130-Y459 HydrophobicContact CD1-CE2 4.43Å; L130-Y459 HydrophobicContact CD1-CG 4.08Å; L130-Y459 HydrophobicContact CD2-CD1 4.16Å; L130-Y459 HydrophobicContact CD2-CE1 3.57Å; L130-Y459 HydrophobicContact CG-CD1 4.01Å; L130-Y459 HydrophobicContact CG-CE1 3.51Å; L130-Y459 HydrophobicContact CG-CE2 4.25Å; C456-Y459 HydrophobicContact CB-CD2 4.26Å; C456-Y459 PolarHBondContact O-N 3.41Å; C456-Y459 VanDerWaalsContact O-N 3.09Å; T457-Y459 PolarHBondContact O-N 3.1Å; Y459-V461 VanDerWaalsContact C-N 3.34Å; Y459-V461 PolarHBondContact O-N 2.96Å; Y459-Q462 PolarHBondContact O-N 3.2Å; Y459-K463 WeakPolarHBondContact O-CB 3.47Å; Y459-K463 PolarHBondContact O-N 3Å; Y459-I559 VanDerWaalsContact CD1-O 3.31Å; Y459-I559 WeakPolarHBondContact CD1-O 3.33Å; Y459-I559 VanDerWaalsContact CE1-O 3.23Å; Y459-I559 WeakPolarHBondContact CE1-O 3.47Å; Y459-N561 HydrophobicContact CD2-CB 4.37Å; Y459-N561 WeakPolarHBondContact CD2-OD1 3.49Å; Y459-N561 HydrophobicContact CE2-CB 3.84Å; Y459-N561 VanDerWaalsContact CE2-N 3.3Å
460	A	90.3	Very high	87.3	Confident	0 Å²	0	42.1 Å²	42.1	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-59.4	-47.2	174.4	0	0	0	0	0	110.7	I455 C456 T457 Q462 K463 L464 I475 T489	I455-A460 HydrophobicContact CD1-CB 4.15Å; C456-A460 PolarHBondContact O-N 3.26Å; T457-A460 PolarHBondContact O-N 3.43Å; A460-Q462 PolarHBondContact O-N 3.39Å; A460-K463 PolarHBondContact O-N 2.98Å; A460-L464 WeakPolarHBondContact O-CG 3.26Å; A460-L464 PolarHBondContact O-N 3.32Å; A460-I475 HydrophobicContact CB-CD1 4.2Å; A460-I475 HydrophobicContact CB-CG2 4.29Å; A460-I475 WeakPolarHBondContact O-CD1 3.06Å; A460-T489 HydrophobicContact CB-CG2 4.27Å
461	V	89.7	Confident	87.5	Confident	17 Å²	17	44.5 Å²	44.5	10%	0.103	23%	0.229	C	C	.	.	H	α-helix	trans	-62.8	-43.5	176.8	169.5	0	0	0	0	111.8	T457 E458 Y459 K463 L464 R465 T489 Y502	T457-V461 HydrophobicContact CG2-CG2 4.29Å; T457-V461 WeakPolarHBondContact O-CB 3.3Å; T457-V461 VanDerWaalsContact O-CG2 3.29Å; T457-V461 WeakPolarHBondContact O-CG2 3.46Å; T457-V461 PolarHBondContact O-N 3.05Å; E458-V461 PolarHBondContact O-N 2.85Å; Y459-V461 VanDerWaalsContact C-N 3.34Å; Y459-V461 PolarHBondContact O-N 2.96Å; V461-K463 VanDerWaalsContact C-N 3.29Å; V461-K463 PolarHBondContact O-N 2.77Å; V461-L464 PolarHBondContact O-N 2.84Å; V461-R465 WeakPolarHBondContact O-CG 3.14Å; V461-R465 PolarHBondContact O-N 3.43Å; V461-T489 HydrophobicContact CG2-CG2 4.49Å; V461-Y502 HydrophobicContact CB-CD1 4.39Å; V461-Y502 HydrophobicContact CB-CG 4.48Å; V461-Y502 HydrophobicContact CG1-CD1 4.1Å; V461-Y502 HydrophobicContact CG1-CD2 3.89Å; V461-Y502 HydrophobicContact CG1-CE1 3.88Å; V461-Y502 HydrophobicContact CG1-CE2 3.71Å; V461-Y502 HydrophobicContact CG1-CG 4.1Å; V461-Y502 HydrophobicContact CG2-CD1 3.95Å; V461-Y502 HydrophobicContact CG2-CD2 4.15Å; V461-Y502 HydrophobicContact CG2-CG 3.73Å
462	Q	86.7	Confident	87.2	Confident	66 Å²	66	44.5 Å²	44.5	31%	0.308	23%	0.229	S	C	.	.	H	α-helix	trans	-59.8	-41.2	176.9	-179.8	-179.8	-5.5	0	0	112	L130 E458 Y459 A460 R465 Q466	L130-Q462 HydrophobicContact CD1-CB 4.48Å; E458-Q462 WeakPolarHBondContact O-CB 3.39Å; E458-Q462 PolarHBondContact O-N 3.29Å; Y459-Q462 PolarHBondContact O-N 3.2Å; A460-Q462 PolarHBondContact O-N 3.39Å; Q462-R465 WeakPolarHBondContact O-CB 3.22Å; Q462-R465 PolarHBondContact O-N 2.78Å; Q462-Q466 WeakPolarHBondContact O-CG 3.44Å; Q462-Q466 PolarHBondContact O-N 2.86Å
463	K	86.1	Confident	87.2	Confident	11 Å²	11	44.5 Å²	44.5	5%	0.048	23%	0.229	C	C	.	.	H	α-helix	trans	-65.7	-44.1	177.9	179.2	167.2	178.3	164.5	0	111.9	H452 Y459 A460 V461 R465 Q466 E467 I475 P552 E558	H452-K463 PolarHBondContact NE2-NZ 2.9Å; Y459-K463 WeakPolarHBondContact O-CB 3.47Å; Y459-K463 PolarHBondContact O-N 3Å; A460-K463 PolarHBondContact O-N 2.98Å; V461-K463 VanDerWaalsContact C-N 3.29Å; V461-K463 PolarHBondContact O-N 2.77Å; K463-R465 PolarHBondContact O-N 3.45Å; K463-Q466 PolarHBondContact O-N 3.26Å; K463-Q466 VanDerWaalsContact O-N 3.09Å; K463-E467 HydrophobicContact CG-CG 4.47Å; K463-E467 WeakPolarHBondContact O-CB 3.4Å; K463-E467 VanDerWaalsContact O-CG 3.28Å; K463-E467 WeakPolarHBondContact O-CG 3.28Å; K463-E467 PolarHBondContact O-N 3.15Å; K463-I475 HydrophobicContact CB-CD1 3.68Å; K463-I475 HydrophobicContact CD-CD1 3.82Å; K463-I475 HydrophobicContact CG-CD1 3.75Å; K463-P552 WeakPolarHBondContact CE-O 3.25Å; K463-P552 PolarHBondContact NZ-O 3.12Å; K463-E558 WeakPolarHBondContact CD-OE1 3.4Å; K463-E558 WeakPolarHBondContact CE-OE1 3.22Å; K463-E558 IonicContact NZ-OE1 3.8Å; K463-E558 PolarHBondContact NZ-OE1 3.22Å; K463-E558 IonicContact NZ-OE2 2.62Å; K463-E558 PolarHBondContact NZ-OE2 3.19Å
464	L	87.6	Confident	87.3	Confident	0 Å²	0	44.2 Å²	44.2	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-57.8	-36.9	173.1	-69	170.7	0	0	0	112.1	A460 V461 E467 G468 N469 T473 I475 T489 V491 Y502	A460-L464 WeakPolarHBondContact O-CG 3.26Å; A460-L464 PolarHBondContact O-N 3.32Å; V461-L464 PolarHBondContact O-N 2.84Å; L464-E467 PolarHBondContact O-N 3.06Å; L464-G468 PolarHBondContact O-N 3.29Å; L464-N469 PolarHBondContact O-N 3.46Å; L464-N469 VanDerWaalsContact O-N 3.09Å; L464-N469 PolarHBondContact O-OD1 2.93Å; L464-T473 HydrophobicContact CD2-CG2 3.79Å; L464-I475 HydrophobicContact CD1-CD1 4.42Å; L464-I475 HydrophobicContact CD2-CD1 3.99Å; L464-I475 HydrophobicContact CD2-CG1 3.87Å; L464-I475 HydrophobicContact CG-CD1 3.7Å; L464-I475 HydrophobicContact CG-CG1 4.1Å; L464-T489 HydrophobicContact CD1-CG2 3.97Å; L464-V491 HydrophobicContact CB-CG2 3.89Å; L464-V491 HydrophobicContact CD1-CG2 3.91Å; L464-V491 HydrophobicContact CD2-CG2 4.05Å; L464-V491 HydrophobicContact CG-CG2 4.15Å; L464-Y502 HydrophobicContact CB-CD1 4.41Å; L464-Y502 HydrophobicContact CB-CE1 3.97Å; L464-Y502 HydrophobicContact CD1-CD1 3.83Å; L464-Y502 HydrophobicContact CD1-CE1 4.25Å
465	R	83.8	Confident	87.3	Confident	149 Å²	149	43.3 Å²	43.3	56%	0.562	22%	0.219	S	C	*	.	H	α-helix	trans	-65.7	-42.5	173.6	-68.3	173.5	-174.3	177.6	3.9	113.1	V461 Q462 K463 E467 G468 N469 Y502	V461-R465 WeakPolarHBondContact O-CG 3.14Å; V461-R465 PolarHBondContact O-N 3.43Å; Q462-R465 WeakPolarHBondContact O-CB 3.22Å; Q462-R465 PolarHBondContact O-N 2.78Å; K463-R465 PolarHBondContact O-N 3.45Å; R465-E467 PolarHBondContact O-N 2.82Å; R465-G468 PolarHBondContact O-N 2.96Å; R465-N469 VanDerWaalsContact CA-OD1 3.24Å; R465-N469 WeakPolarHBondContact CA-OD1 3.44Å; R465-N469 PolarHBondContact N-OD1 3.01Å; R465-Y502 WeakPolarHBondContact CG-OH 3.37Å; R465-Y502 PolarHBondContact NE-OH 3.43Å
466	Q	79.5	Confident	87.4	Confident	133 Å²	133	43 Å²	43	62%	0.621	22%	0.218	S	C	*	.	H	α-helix	trans	-65.2	-30.9	177.6	-72.5	171.4	-14.4	0	0	111.9	Q462 K463 G468	Q462-Q466 WeakPolarHBondContact O-CG 3.44Å; Q462-Q466 PolarHBondContact O-N 2.86Å; K463-Q466 PolarHBondContact O-N 3.26Å; K463-Q466 VanDerWaalsContact O-N 3.09Å; Q466-G468 VanDerWaalsContact C-N 3.26Å; Q466-G468 PolarHBondContact O-N 3.13Å
467	E	78.6	Confident	87.7	Confident	39 Å²	39	41.5 Å²	41.5	18%	0.182	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.7	10.3	178	-65	-78	170	0	0	113.3	K463 L464 R465 R549 C551 Q554 K848	K463-E467 HydrophobicContact CG-CG 4.47Å; K463-E467 WeakPolarHBondContact O-CB 3.4Å; K463-E467 VanDerWaalsContact O-CG 3.28Å; K463-E467 WeakPolarHBondContact O-CG 3.28Å; K463-E467 PolarHBondContact O-N 3.15Å; L464-E467 PolarHBondContact O-N 3.06Å; R465-E467 PolarHBondContact O-N 2.82Å; E467-R549 PolarHBondContact O-NH2 3.49Å; E467-C551 HydrophobicContact CG-CB 4.42Å; E467-Q554 PolarHBondContact OE1-NE2 3.29Å; E467-K848 IonicContact OE1-NZ 3.74Å; E467-K848 IonicContact OE2-NZ 2.71Å; E467-K848 PolarHBondContact OE2-NZ 3.23Å
468	G	79.4	Confident	88	Confident	53 Å²	53	40.2 Å²	40.2	55%	0.546	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	94.4	3.2	168.2	0	0	0	0	0	116.5	L464 R465 Q466 E470	L464-G468 PolarHBondContact O-N 3.29Å; R465-G468 PolarHBondContact O-N 2.96Å; Q466-G468 VanDerWaalsContact C-N 3.26Å; Q466-G468 PolarHBondContact O-N 3.13Å; G468-E470 VanDerWaalsContact C-N 3.28Å; G468-E470 PolarHBondContact O-N 2.96Å
469	N	84.9	Confident	88.2	Confident	34 Å²	34	34.6 Å²	34.6	18%	0.182	17%	0.17	C	C	.	.			trans	50	40.6	179.9	-66	-41.8	0	0	0	114.9	L464 R465 V491 I500 Y502	L464-N469 PolarHBondContact O-N 3.46Å; L464-N469 VanDerWaalsContact O-N 3.09Å; L464-N469 PolarHBondContact O-OD1 2.93Å; R465-N469 VanDerWaalsContact CA-OD1 3.24Å; R465-N469 WeakPolarHBondContact CA-OD1 3.44Å; R465-N469 PolarHBondContact N-OD1 3.01Å; N469-V491 HydrophobicContact CB-CG1 4.36Å; N469-I500 HydrophobicContact CB-CD1 3.89Å; N469-Y502 PolarHBondContact OD1-OH 3.34Å
470	E	86.1	Confident	88.2	Confident	104 Å²	104	35.1 Å²	35.1	49%	0.486	18%	0.176	S	C	.	.			trans	-70.7	133.2	172.4	-66.3	167.8	-138.9	0	0	110.4	G468 G472 T473 R549	G468-E470 VanDerWaalsContact C-N 3.28Å; G468-E470 PolarHBondContact O-N 2.96Å; E470-G472 PolarHBondContact O-N 3.41Å; E470-T473 WeakPolarHBondContact CB-OG1 3.3Å; E470-T473 WeakPolarHBondContact O-CB 3.32Å; E470-T473 PolarHBondContact O-N 3.44Å; E470-T473 PolarHBondContact O-OG1 3.4Å; E470-R549 VanDerWaalsContact CD-NH1 3.32Å; E470-R549 IonicContact OE1-CZ 2.66Å; E470-R549 IonicContact OE1-NH1 3.68Å; E470-R549 PolarHBondContact OE1-NH1 3.47Å; E470-R549 IonicContact OE1-NH2 2.92Å; E470-R549 PolarHBondContact OE1-NH2 3.15Å; E470-R549 IonicContact OE2-CZ 3.15Å; E470-R549 IonicContact OE2-NH1 3.74Å; E470-R549 PolarHBondContact OE2-NH1 3.02Å; E470-R549 VanDerWaalsContact OE2-NH1 3.13Å; E470-R549 IonicContact OE2-NH2 2.99Å
471	E	86.5	Confident	88	Confident	61 Å²	61	40.3 Å²	40.3	29%	0.285	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.5	134.3	177.2	-177.5	175.2	-141.8	0	0	111.7	T473	E471-T473 PolarHBondContact O-N 3.04Å
472	G	85.9	Confident	88	Confident	0 Å²	0	43.6 Å²	43.6	0%	0	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	80.4	-1.2	-176.8	0	0	0	0	0	114.6	E470 V491 Q546 R548 R549	E470-G472 PolarHBondContact O-N 3.41Å; G472-V491 PolarHBondContact N-O 2.7Å; G472-Q546 WeakPolarHBondContact CA-O 3.35Å; G472-R548 PolarHBondContact O-N 3.27Å; G472-R549 PolarHBondContact O-N 2.89Å
473	T	91.4	Very high	88.2	Confident	1 Å²	1	42.1 Å²	42.1	1%	0.006	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	133.9	167.2	-56.6	0	0	0	0	109.6	L464 E470 E471 V490 V491 R549 C551	L464-T473 HydrophobicContact CD2-CG2 3.79Å; E470-T473 WeakPolarHBondContact CB-OG1 3.3Å; E470-T473 WeakPolarHBondContact O-CB 3.32Å; E470-T473 PolarHBondContact O-N 3.44Å; E470-T473 PolarHBondContact O-OG1 3.4Å; E471-T473 PolarHBondContact O-N 3.04Å; T473-V490 WeakPolarHBondContact O-CA 3.48Å; T473-V491 PolarHBondContact O-N 3.2Å; T473-R549 CarbonylContact C-O 3.49Å; T473-R549 WeakPolarHBondContact CA-O 3.43Å; T473-R549 PolarHBondContact OG1-NH2 3.14Å; T473-C551 WeakPolarHBondContact CG2-SG 3.33Å
474	Y	93.2	Very high	88.5	Confident	4 Å²	4	45.2 Å²	45.2	2%	0.016	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	160.8	-174.3	70	-87	0	0	0	113.9	L476 I488 T489 L530 E534 L547 R549 C550 C551	Y474-L476 HydrophobicContact CD2-CD2 4.27Å; Y474-L476 HydrophobicContact CD2-CG 4.19Å; Y474-L476 HydrophobicContact CE2-CD1 4.21Å; Y474-L476 HydrophobicContact CE2-CD2 4.1Å; Y474-L476 HydrophobicContact CE2-CG 3.94Å; Y474-I488 HydrophobicContact CD2-CG2 3.98Å; Y474-I488 HydrophobicContact CG-CG2 4.23Å; Y474-T489 CarbonylContact C-O 3.56Å; Y474-T489 WeakPolarHBondContact CA-O 3.32Å; Y474-L530 HydrophobicContact CE2-CD2 4.31Å; Y474-E534 PolarHBondContact OH-OE1 3.28Å; Y474-L547 HydrophobicContact CD1-CB 4Å; Y474-L547 HydrophobicContact CD1-CD2 3.79Å; Y474-L547 HydrophobicContact CD1-CG 4.35Å; Y474-L547 HydrophobicContact CE1-CB 3.81Å; Y474-L547 HydrophobicContact CE1-CD1 4.49Å; Y474-L547 HydrophobicContact CE1-CD2 4.34Å; Y474-L547 HydrophobicContact CE1-CG 4.44Å; Y474-L547 HydrophobicContact CG-CD2 4Å; Y474-R549 VanDerWaalsContact CD1-O 3.31Å; Y474-R549 WeakPolarHBondContact CD1-O 3.45Å; Y474-R549 PolarHBondContact N-O 2.93Å; Y474-C550 HydrophobicContact CD2-CB 4.3Å; Y474-C550 HydrophobicContact CE1-CB 4.13Å; Y474-C550 HydrophobicContact CE2-CB 3.66Å; Y474-C550 CarbonylContact O-C 3.55Å; Y474-C550 WeakPolarHBondContact O-CA 3.29Å; Y474-C551 PolarHBondContact O-N 3.18Å
475	I	94.3	Very high	88.8	Confident	0 Å²	0	46.3 Å²	46.3	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	136	173.6	-74.6	171.5	0	0	0	109.1	I455 A460 K463 L464 R477 I488 T489 C551	I455-I475 HydrophobicContact CD1-CG2 4.41Å; A460-I475 HydrophobicContact CB-CD1 4.2Å; A460-I475 HydrophobicContact CB-CG2 4.29Å; A460-I475 WeakPolarHBondContact O-CD1 3.06Å; K463-I475 HydrophobicContact CB-CD1 3.68Å; K463-I475 HydrophobicContact CD-CD1 3.82Å; K463-I475 HydrophobicContact CG-CD1 3.75Å; L464-I475 HydrophobicContact CD1-CD1 4.42Å; L464-I475 HydrophobicContact CD2-CD1 3.99Å; L464-I475 HydrophobicContact CD2-CG1 3.87Å; L464-I475 HydrophobicContact CG-CD1 3.7Å; L464-I475 HydrophobicContact CG-CG1 4.1Å; I475-R477 HydrophobicContact CG2-CB 4.48Å; I475-I488 CarbonylContact O-C 3.59Å; I475-I488 WeakPolarHBondContact O-CA 3.22Å; I475-T489 PolarHBondContact N-O 2.62Å; I475-T489 PolarHBondContact O-N 2.79Å; I475-C551 HydrophobicContact CG1-CB 3.88Å
476	L	94.8	Very high	89.3	Confident	1 Å²	1	39.2 Å²	39.2	1%	0.005	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	130.8	168.2	-61.2	168.7	0	0	0	109.4	C451 H452 Y474 I486 I488 L530	C451-L476 HydrophobicContact CB-CB 4.16Å; H452-L476 WeakPolarHBondContact CB-O 3.42Å; H452-L476 PolarHBondContact N-O 3.32Å; H452-L476 PolarHBondContact ND1-O 3.38Å; Y474-L476 HydrophobicContact CD2-CD2 4.27Å; Y474-L476 HydrophobicContact CD2-CG 4.19Å; Y474-L476 HydrophobicContact CE2-CD1 4.21Å; Y474-L476 HydrophobicContact CE2-CD2 4.1Å; Y474-L476 HydrophobicContact CE2-CG 3.94Å; L476-I486 HydrophobicContact CD2-CG2 4.49Å; L476-I488 HydrophobicContact CD2-CB 4.5Å; L476-I488 HydrophobicContact CD2-CG1 3.61Å; L476-L530 HydrophobicContact CD1-CD1 3.46Å; L476-L530 VanDerWaalsContact CD1-CD1 3.46Å; L476-L530 HydrophobicContact CD1-CD2 4.33Å; L476-L530 HydrophobicContact CD2-CD1 4.43Å; L476-L530 HydrophobicContact CD2-CD2 3.87Å
477	R	95.3	Very high	90.1	Very high	5 Å²	5	33.7 Å²	33.7	2%	0.019	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	145.6	178	61.3	-172.9	177	92	0.6	111.6	H452 I455 T457 I475 I486 I487 T489 N504	H452-R477 HydrophobicContact CB-CB 3.99Å; H452-R477 WeakPolarHBondContact O-CA 3.39Å; I455-R477 HydrophobicContact CD1-CB 4.34Å; I455-R477 HydrophobicContact CG1-CB 3.78Å; I455-R477 HydrophobicContact CG1-CG 4.38Å; I455-R477 PolarHBondContact O-NH1 3.45Å; T457-R477 PolarHBondContact OG1-NH2 3Å; I475-R477 HydrophobicContact CG2-CB 4.48Å; R477-I486 CarbonylContact O-C 3.59Å; R477-I487 HydrophobicContact CG-CB 4.02Å; R477-I487 PolarHBondContact N-O 3.35Å; R477-I487 PolarHBondContact O-N 2.81Å; R477-T489 PolarHBondContact NE-OG1 2.8Å; R477-N504 PolarHBondContact NH2-OD1 3.42Å
478	W	95.3	Very high	90.9	Very high	25 Å²	25	32 Å²	32	10%	0.095	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	150.6	168.8	-73.7	94	0	0	0	111.3	L442 N446 H452 G453 P454 Y483 I486 V509	L442-W478 HydrophobicContact CD1-CH2 4.17Å; L442-W478 HydrophobicContact CD1-CZ2 3.45Å; L442-W478 VanDerWaalsContact CD1-CZ2 3.45Å; N446-W478 PolarHBondContact ND2-NE1 3.17Å; N446-W478 VanDerWaalsContact ND2-NE1 3.19Å; N446-W478 PolarHBondContact OD1-NE1 3.41Å; H452-W478 VanDerWaalsContact O-CD1 3.23Å; H452-W478 PolarHBondContact O-N 3.39Å; G453-W478 PolarHBondContact O-N 3.19Å; P454-W478 WeakPolarHBondContact CA-O 3.35Å; P454-W478 HydrophobicContact CB-CB 4.47Å; W478-Y483 WeakPolarHBondContact CZ3-O 3.29Å; W478-I486 HydrophobicContact CD2-CG1 3.87Å; W478-I486 HydrophobicContact CE3-CG1 3.8Å; W478-I486 HydrophobicContact CH2-CD1 3.91Å; W478-I486 HydrophobicContact CH2-CG1 3.84Å; W478-I486 HydrophobicContact CZ2-CD1 3.72Å; W478-I486 HydrophobicContact CZ2-CG1 3.85Å; W478-I486 HydrophobicContact CZ3-CD1 4.38Å; W478-I486 HydrophobicContact CZ3-CG1 3.8Å; W478-V509 HydrophobicContact CH2-CB 4.49Å; W478-V509 HydrophobicContact CH2-CG1 4.4Å; W478-V509 HydrophobicContact CH2-CG2 3.95Å; W478-V509 HydrophobicContact CZ3-CG2 4.05Å
479	S	93.4	Very high	91.6	Very high	4 Å²	4	29.5 Å²	29.5	3%	0.028	15%	0.15	C	C	.	.			trans	-67.4	140.8	175.7	172.1	0	0	0	0	111.3	P71 T481 E482 F485	P71-S479 WeakPolarHBondContact CB-O 3.39Å; S479-T481 PolarHBondContact O-N 2.75Å; S479-T481 PolarHBondContact OG-N 3.27Å; S479-T481 PolarHBondContact OG-OG1 2.9Å; S479-E482 VanDerWaalsContact CB-O 3.31Å; S479-E482 WeakPolarHBondContact CB-O 3.44Å; S479-E482 PolarHBondContact OG-N 3.32Å; S479-F485 WeakPolarHBondContact CB-O 3.39Å; S479-F485 PolarHBondContact N-O 2.94Å
480	C	89.2	Confident	92	Very high	30 Å²	30	27.9 Å²	27.9	20%	0.203	14%	0.141	C	C	.	.	S	Bend	trans	-75	-15.1	177.2	-58.5	0	0	0	0	113.1	P71 P454 I455	P71-C480 WeakPolarHBondContact CD-O 3.17Å; P454-C480 PolarHBondContact O-SG 2.8Å; I455-C480 VanDerWaalsContact C-SG 3.55Å; I455-C480 PolarHBondContact O-SG 3.37Å
481	T	85.8	Confident	92.3	Very high	109 Å²	109	22.9 Å²	22.9	67%	0.669	12%	0.118	S	C	*	.	S	Bend	trans	-117.5	-28	-172.2	51.3	0	0	0	0	113.1	S479	S479-T481 PolarHBondContact O-N 2.75Å; S479-T481 PolarHBondContact OG-N 3.27Å; S479-T481 PolarHBondContact OG-OG1 2.9Å
482	E	90.2	Very high	92.4	Very high	86 Å²	86	20 Å²	20	40%	0.402	10%	0.104	S	C	.	.			trans	-131.3	134.2	-171.5	-64	-177.2	100.6	0	0	111.2	S479 F485	S479-E482 VanDerWaalsContact CB-O 3.31Å; S479-E482 WeakPolarHBondContact CB-O 3.44Å; S479-E482 PolarHBondContact OG-N 3.32Å; E482-F485 HydrophobicContact CB-CD2 3.75Å; E482-F485 HydrophobicContact CB-CE2 4.5Å; E482-F485 HydrophobicContact CG-CD2 4.34Å; E482-F485 WeakPolarHBondContact OE2-CD2 3.35Å
483	Y	90.7	Very high	92.3	Very high	36 Å²	36	23.2 Å²	23.2	14%	0.141	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.9	-18.9	-176.1	-72.3	-90.9	0	0	0	114.4	V61 A64 K65 I69 S70 P71 H74 W478	V61-Y483 HydrophobicContact CG1-CD1 3.69Å; V61-Y483 HydrophobicContact CG1-CE1 4.22Å; V61-Y483 HydrophobicContact CG1-CG 4.03Å; V61-Y483 HydrophobicContact CG2-CD1 4.32Å; V61-Y483 HydrophobicContact CG2-CE1 4.4Å; A64-Y483 VanDerWaalsContact CB-OH 3.29Å; A64-Y483 WeakPolarHBondContact CB-OH 3.16Å; K65-Y483 HydrophobicContact CD-CD2 4.46Å; K65-Y483 HydrophobicContact CG-CD2 3.7Å; K65-Y483 HydrophobicContact CG-CE2 4.07Å; K65-Y483 HydrophobicContact CG-CG 4.35Å; I69-Y483 WeakPolarHBondContact O-CE2 3.39Å; I69-Y483 PolarHBondContact O-OH 3.17Å; S70-Y483 VanDerWaalsContact C-OH 3.23Å; S70-Y483 PolarHBondContact O-OH 2.65Å; P71-Y483 HydrophobicContact CB-CD1 4.41Å; P71-Y483 HydrophobicContact CB-CE1 4.16Å; P71-Y483 HydrophobicContact CG-CD1 4.12Å; P71-Y483 HydrophobicContact CG-CD2 3.98Å; P71-Y483 HydrophobicContact CG-CE1 4.08Å; P71-Y483 HydrophobicContact CG-CE2 3.92Å; P71-Y483 HydrophobicContact CG-CG 4.07Å; H74-Y483 HydrophobicContact CB-CE1 4.02Å; H74-Y483 WeakPolarHBondContact CB-OH 3.32Å; W478-Y483 WeakPolarHBondContact CZ3-O 3.29Å
484	N	91.9	Very high	91.6	Very high	76 Å²	76	26.5 Å²	26.5	41%	0.406	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.1	8.5	-172.8	-62.5	-2.4	0	0	0	112.5	K65 V509	K65-N484 PolarHBondContact NZ-OD1 2.68Å; N484-V509 PolarHBondContact O-N 3.11Å
485	F	94.3	Very high	90.4	Very high	22 Å²	22	32 Å²	32	10%	0.096	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	129.3	-176.3	-68.6	-70.8	0	0	0	112.4	S479 E482 Q506 I507 E508 Y517	S479-F485 WeakPolarHBondContact CB-O 3.39Å; S479-F485 PolarHBondContact N-O 2.94Å; E482-F485 HydrophobicContact CB-CD2 3.75Å; E482-F485 HydrophobicContact CB-CE2 4.5Å; E482-F485 HydrophobicContact CG-CD2 4.34Å; E482-F485 WeakPolarHBondContact OE2-CD2 3.35Å; F485-Q506 HydrophobicContact CD1-CB 4.13Å; F485-I507 CarbonylContact C-O 3.53Å; F485-I507 VanDerWaalsContact CA-O 3.31Å; F485-I507 WeakPolarHBondContact CA-O 3.05Å; F485-E508 HydrophobicContact CD1-CB 4.1Å; F485-E508 HydrophobicContact CD1-CG 4.4Å; F485-E508 HydrophobicContact CE1-CB 3.71Å; F485-E508 HydrophobicContact CE1-CG 3.78Å; F485-E508 HydrophobicContact CZ-CG 4.31Å; F485-Y517 AromaticContact CE1-CD2 3.86Å; F485-Y517 HydrophobicContact CE1-CD2 3.86Å; F485-Y517 HydrophobicContact CE1-CE2 4.32Å; F485-Y517 HydrophobicContact CZ-CD2 4.33Å; F485-Y517 HydrophobicContact CZ-CE2 4.34Å
486	I	95.4	Very high	88.8	Confident	1 Å²	1	39.3 Å²	39.3	1%	0.005	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	142.5	161.9	-63.7	172.1	0	0	0	107.6	L476 R477 W478 Q506 I507 V509 Y514 L526	L476-I486 HydrophobicContact CD2-CG2 4.49Å; R477-I486 CarbonylContact O-C 3.59Å; W478-I486 HydrophobicContact CD2-CG1 3.87Å; W478-I486 HydrophobicContact CE3-CG1 3.8Å; W478-I486 HydrophobicContact CH2-CD1 3.91Å; W478-I486 HydrophobicContact CH2-CG1 3.84Å; W478-I486 HydrophobicContact CZ2-CD1 3.72Å; W478-I486 HydrophobicContact CZ2-CG1 3.85Å; W478-I486 HydrophobicContact CZ3-CD1 4.38Å; W478-I486 HydrophobicContact CZ3-CG1 3.8Å; I486-Q506 CarbonylContact O-C 3.4Å; I486-Q506 WeakPolarHBondContact O-CA 3.49Å; I486-I507 HydrophobicContact CB-CB 4.21Å; I486-I507 HydrophobicContact CG2-CD1 4.48Å; I486-I507 PolarHBondContact N-O 3.48Å; I486-I507 PolarHBondContact O-N 2.96Å; I486-V509 HydrophobicContact CD1-CG2 3.91Å; I486-V509 HydrophobicContact CG1-CG2 3.96Å; I486-Y514 HydrophobicContact CD1-CD1 4.37Å; I486-Y514 HydrophobicContact CD1-CE1 4.01Å; I486-L526 HydrophobicContact CD1-CD1 4.36Å; I486-L526 HydrophobicContact CD1-CD2 3.8Å
487	I	95.6	Very high	87.1	Confident	16 Å²	16	41.1 Å²	41.1	8%	0.082	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	125.4	179.9	-55.6	173.4	0	0	0	108.9	R477 N504 F505	R477-I487 HydrophobicContact CG-CB 4.02Å; R477-I487 PolarHBondContact N-O 3.35Å; R477-I487 PolarHBondContact O-N 2.81Å; I487-N504 HydrophobicContact CG2-CB 3.81Å; I487-F505 CarbonylContact C-O 3.59Å; I487-F505 VanDerWaalsContact CA-O 3.28Å; I487-F505 WeakPolarHBondContact CA-O 3.31Å
488	I	94.8	Very high	85.6	Confident	4 Å²	4	51.4 Å²	51.4	2%	0.021	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	114.5	165.2	-58.2	162.4	0	0	0	107.6	Y474 I475 L476 V490 N504 F505 I507 L530 L533 L547	Y474-I488 HydrophobicContact CD2-CG2 3.98Å; Y474-I488 HydrophobicContact CG-CG2 4.23Å; I475-I488 CarbonylContact O-C 3.59Å; I475-I488 WeakPolarHBondContact O-CA 3.22Å; L476-I488 HydrophobicContact CD2-CB 4.5Å; L476-I488 HydrophobicContact CD2-CG1 3.61Å; I488-V490 HydrophobicContact CG2-CB 4.49Å; I488-N504 CarbonylContact O-C 3.58Å; I488-N504 VanDerWaalsContact O-CA 3.29Å; I488-N504 WeakPolarHBondContact O-CA 3.41Å; I488-F505 HydrophobicContact CB-CB 4.33Å; I488-F505 PolarHBondContact N-O 3.09Å; I488-F505 PolarHBondContact O-N 2.98Å; I488-I507 HydrophobicContact CD1-CD1 3.64Å; I488-I507 HydrophobicContact CD1-CG1 4.04Å; I488-I507 HydrophobicContact CG1-CD1 3.83Å; I488-I507 HydrophobicContact CG1-CG1 4.38Å; I488-L530 HydrophobicContact CD1-CD2 4.49Å; I488-L533 HydrophobicContact CD1-CD1 4.21Å; I488-L547 HydrophobicContact CG2-CD2 4.35Å
489	T	94.9	Very high	84.7	Confident	0 Å²	0	53.6 Å²	53.6	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	116.2	170.2	-48.2	0	0	0	0	108.7	A460 V461 L464 Y474 I475 R477 K503 N504	A460-T489 HydrophobicContact CB-CG2 4.27Å; V461-T489 HydrophobicContact CG2-CG2 4.49Å; L464-T489 HydrophobicContact CD1-CG2 3.97Å; Y474-T489 CarbonylContact C-O 3.56Å; Y474-T489 WeakPolarHBondContact CA-O 3.32Å; I475-T489 PolarHBondContact N-O 2.62Å; I475-T489 PolarHBondContact O-N 2.79Å; R477-T489 PolarHBondContact NE-OG1 2.8Å; T489-K503 CarbonylContact C-O 3.5Å; T489-K503 WeakPolarHBondContact CA-O 3.48Å; T489-N504 WeakPolarHBondContact CG2-OD1 3.11Å; T489-N504 PolarHBondContact OG1-OD1 3.38Å
490	V	93.8	Very high	84.2	Confident	0 Å²	0	56.8 Å²	56.8	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	147	-173.2	60.6	0	0	0	0	112.1	T473 I488 Y502 K503 F505 F545 L547	T473-V490 WeakPolarHBondContact O-CA 3.48Å; I488-V490 HydrophobicContact CG2-CB 4.49Å; V490-Y502 WeakPolarHBondContact O-CA 3.42Å; V490-K503 HydrophobicContact CG1-CB 4.27Å; V490-K503 PolarHBondContact N-O 3.4Å; V490-K503 PolarHBondContact O-N 3.24Å; V490-F505 HydrophobicContact CG1-CD2 3.94Å; V490-F505 HydrophobicContact CG1-CE2 3.51Å; V490-F545 HydrophobicContact CB-CE2 4.35Å; V490-F545 HydrophobicContact CG1-CD2 4.4Å; V490-F545 HydrophobicContact CG1-CE2 3.74Å; V490-F545 HydrophobicContact CG1-CZ 3.9Å; V490-F545 HydrophobicContact CG2-CD2 3.89Å; V490-F545 HydrophobicContact CG2-CE2 3.87Å; V490-L547 HydrophobicContact CB-CD2 4.41Å; V490-L547 HydrophobicContact CG2-CD2 4.01Å
491	V	91.9	Very high	84.1	Confident	0 Å²	0	58.1 Å²	58.1	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	121.5	172.6	-175.1	0	0	0	0	109.8	L464 N469 G472 T473 I500 Y502	L464-V491 HydrophobicContact CB-CG2 3.89Å; L464-V491 HydrophobicContact CD1-CG2 3.91Å; L464-V491 HydrophobicContact CD2-CG2 4.05Å; L464-V491 HydrophobicContact CG-CG2 4.15Å; N469-V491 HydrophobicContact CB-CG1 4.36Å; G472-V491 PolarHBondContact N-O 2.7Å; T473-V491 PolarHBondContact O-N 3.2Å; V491-I500 HydrophobicContact CG1-CG2 3.68Å; V491-Y502 HydrophobicContact CG2-CD1 4.21Å; V491-Y502 HydrophobicContact CG2-CE1 4.06Å
492	C	88.2	Confident	84.3	Confident	0 Å²	0	55.4 Å²	55.4	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	144.8	178	-54.7	0	0	0	0	110.7	Q501 M543 F545	C492-Q501 PolarHBondContact N-O 3.13Å; C492-Q501 PolarHBondContact O-N 2.89Å; C492-M543 HydrophobicContact CB-CE 3.39Å; C492-M543 HydrophobicContact CB-SD 4.03Å; C492-F545 VanDerWaalsContact SG-CD1 3.54Å
493	H	83.3	Confident	84.4	Confident	68 Å²	68	53.5 Å²	53.5	32%	0.315	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	139.2	172.4	-66	175.9	0	0	0	110.7	M543	H493-M543 WeakPolarHBondContact O-CE 3.24Å
494	E	78.1	Confident	84.5	Confident	69 Å²	69	55.4 Å²	55.4	32%	0.322	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	137.1	176.2	-167.7	172	-144.8	0	0	109.7	D496 S497 M543	E494-D496 PolarHBondContact O-N 3.18Å; E494-S497 PolarHBondContact O-N 3Å; E494-S497 PolarHBondContact OE2-OG 3.06Å; E494-M543 HydrophobicContact CB-CE 4.17Å
495	I	66.6	Low	84.5	Confident	119 Å²	119	53.9 Å²	53.9	61%	0.61	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-28.9	-173	-60.4	177.4	0	0	0	111.6	N542	I495-N542 WeakPolarHBondContact CD1-O 3.36Å; I495-N542 WeakPolarHBondContact CG1-O 3.15Å
496	D	61.5	Low	84.5	Confident	155 Å²	155	56 Å²	56	83%	0.829	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.9	-3.6	-175.3	-68.3	-29	0	0	0	114.5	E494	E494-D496 PolarHBondContact O-N 3.18Å
497	S	58.4	Low	84.5	Confident	38 Å²	38	56 Å²	56	27%	0.266	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	136.1	-179.9	87	0	0	0	0	111.2	E494 T499	E494-S497 PolarHBondContact O-N 3Å; E494-S497 PolarHBondContact OE2-OG 3.06Å; S497-T499 PolarHBondContact O-N 3.09Å; S497-T499 PolarHBondContact OG-OG1 3.2Å
498	F	64.3	Low	84.4	Confident	221 Å²	221	57.3 Å²	57.3	97%	0.969	28%	0.282	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.3	26.6	172.7	-69.4	-82.3	0	0	0	112.8
499	T	76.3	Confident	84.3	Confident	72 Å²	72	58.5 Å²	58.5	44%	0.442	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	129.6	177.4	65.1	0	0	0	0	110.9	S497	S497-T499 PolarHBondContact O-N 3.09Å; S497-T499 PolarHBondContact OG-OG1 3.2Å
500	I	82.8	Confident	83.7	Confident	71 Å²	71	63.1 Å²	63.1	36%	0.364	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	123.6	177.7	-61.8	163.8	0	0	0	108.4	N469 V491 Y502	N469-I500 HydrophobicContact CB-CD1 3.89Å; V491-I500 HydrophobicContact CG1-CG2 3.68Å; I500-Y502 HydrophobicContact CG2-CE1 4.47Å; I500-Y502 HydrophobicContact CG2-CE2 4.2Å
501	Q	86.6	Confident	82.9	Confident	58 Å²	58	68.4 Å²	68.4	27%	0.271	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	154.4	171	-56.8	-167.2	4.6	0	0	111.1	C492 M543	C492-Q501 PolarHBondContact N-O 3.13Å; C492-Q501 PolarHBondContact O-N 2.89Å; Q501-M543 HydrophobicContact CB-CE 4.02Å; Q501-M543 HydrophobicContact CB-SD 4.45Å; Q501-M543 HydrophobicContact CG-CE 4.18Å
502	Y	91.1	Very high	82.1	Confident	52 Å²	52	75.6 Å²	75.6	20%	0.204	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	121.2	175.3	-53.3	-93.4	0	0	0	108.3	V461 L464 R465 N469 V490 V491 I500	V461-Y502 HydrophobicContact CB-CD1 4.39Å; V461-Y502 HydrophobicContact CB-CG 4.48Å; V461-Y502 HydrophobicContact CG1-CD1 4.1Å; V461-Y502 HydrophobicContact CG1-CD2 3.89Å; V461-Y502 HydrophobicContact CG1-CE1 3.88Å; V461-Y502 HydrophobicContact CG1-CE2 3.71Å; V461-Y502 HydrophobicContact CG1-CG 4.1Å; V461-Y502 HydrophobicContact CG2-CD1 3.95Å; V461-Y502 HydrophobicContact CG2-CD2 4.15Å; V461-Y502 HydrophobicContact CG2-CG 3.73Å; L464-Y502 HydrophobicContact CB-CD1 4.41Å; L464-Y502 HydrophobicContact CB-CE1 3.97Å; L464-Y502 HydrophobicContact CD1-CD1 3.83Å; L464-Y502 HydrophobicContact CD1-CE1 4.25Å; R465-Y502 WeakPolarHBondContact CG-OH 3.37Å; R465-Y502 PolarHBondContact NE-OH 3.43Å; N469-Y502 PolarHBondContact OD1-OH 3.34Å; V490-Y502 WeakPolarHBondContact O-CA 3.42Å; V491-Y502 HydrophobicContact CG2-CD1 4.21Å; V491-Y502 HydrophobicContact CG2-CE1 4.06Å; I500-Y502 HydrophobicContact CG2-CE1 4.47Å; I500-Y502 HydrophobicContact CG2-CE2 4.2Å
503	K	91.4	Very high	82.1	Confident	46 Å²	46	76.1 Å²	76.1	20%	0.2	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	142.7	-179.6	-64.8	-73.4	-179.6	166.5	0	109.9	T489 V490 F505 T540 D541	T489-K503 CarbonylContact C-O 3.5Å; T489-K503 WeakPolarHBondContact CA-O 3.48Å; V490-K503 HydrophobicContact CG1-CB 4.27Å; V490-K503 PolarHBondContact N-O 3.4Å; V490-K503 PolarHBondContact O-N 3.24Å; K503-F505 HydrophobicContact CB-CE2 3.79Å; K503-F505 HydrophobicContact CB-CZ 4.08Å; K503-T540 HydrophobicContact CD-CG2 4.38Å; K503-T540 HydrophobicContact CG-CG2 4.14Å; K503-D541 IonicContact NZ-OD2 3.09Å; K503-D541 PolarHBondContact NZ-OD2 3.03Å
504	N	93.4	Very high	82.5	Confident	75 Å²	75	74 Å²	74	40%	0.401	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	124.8	179.1	-65.7	-67.3	0	0	0	109	R477 I487 I488 T489	R477-N504 PolarHBondContact NH2-OD1 3.42Å; I487-N504 HydrophobicContact CG2-CB 3.81Å; I488-N504 CarbonylContact O-C 3.58Å; I488-N504 VanDerWaalsContact O-CA 3.29Å; I488-N504 WeakPolarHBondContact O-CA 3.41Å; T489-N504 WeakPolarHBondContact CG2-OD1 3.11Å; T489-N504 PolarHBondContact OG1-OD1 3.38Å
505	F	92.4	Very high	83.2	Confident	45 Å²	45	75.9 Å²	75.9	20%	0.197	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	140.3	173.7	-58.9	-84.2	0	0	0	109.7	I487 I488 V490 K503 L516 T540 F545	I487-F505 CarbonylContact C-O 3.59Å; I487-F505 VanDerWaalsContact CA-O 3.28Å; I487-F505 WeakPolarHBondContact CA-O 3.31Å; I488-F505 HydrophobicContact CB-CB 4.33Å; I488-F505 PolarHBondContact N-O 3.09Å; I488-F505 PolarHBondContact O-N 2.98Å; V490-F505 HydrophobicContact CG1-CD2 3.94Å; V490-F505 HydrophobicContact CG1-CE2 3.51Å; K503-F505 HydrophobicContact CB-CE2 3.79Å; K503-F505 HydrophobicContact CB-CZ 4.08Å; F505-L516 HydrophobicContact CB-CD1 4.34Å; F505-T540 HydrophobicContact CE1-CG2 4.49Å; F505-T540 HydrophobicContact CZ-CG2 3.86Å; F505-F545 HydrophobicContact CD2-CZ 4.33Å; F505-F545 AromaticContact CE2-CE1 3.98Å; F505-F545 HydrophobicContact CE2-CE1 3.98Å; F505-F545 HydrophobicContact CE2-CE2 4.29Å; F505-F545 AromaticContact CE2-CZ 3.36Å; F505-F545 HydrophobicContact CE2-CZ 3.36Å; F505-F545 AromaticContact CZ-CE1 3.75Å; F505-F545 HydrophobicContact CZ-CE1 3.75Å; F505-F545 AromaticContact CZ-CZ 3.51Å; F505-F545 HydrophobicContact CZ-CZ 3.51Å
506	Q	94.6	Very high	84.4	Confident	67 Å²	67	71 Å²	71	31%	0.313	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	134.7	-179	-68.9	176.5	-36.6	0	0	110.4	F485 I486 Y517	F485-Q506 HydrophobicContact CD1-CB 4.13Å; I486-Q506 CarbonylContact O-C 3.4Å; I486-Q506 WeakPolarHBondContact O-CA 3.49Å; Q506-Y517 HydrophobicContact CB-CG 4.42Å; Q506-Y517 WeakPolarHBondContact O-CB 3.28Å; Q506-Y517 PolarHBondContact O-N 2.74Å
507	I	94.7	Very high	85.6	Confident	0 Å²	0	70.2 Å²	70.2	0%	0	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	118.9	166.8	-62.3	169.5	0	0	0	106.3	F485 I486 I488 Y514 R515 L516 L526 L529	F485-I507 CarbonylContact C-O 3.53Å; F485-I507 VanDerWaalsContact CA-O 3.31Å; F485-I507 WeakPolarHBondContact CA-O 3.05Å; I486-I507 HydrophobicContact CB-CB 4.21Å; I486-I507 HydrophobicContact CG2-CD1 4.48Å; I486-I507 PolarHBondContact N-O 3.48Å; I486-I507 PolarHBondContact O-N 2.96Å; I488-I507 HydrophobicContact CD1-CD1 3.64Å; I488-I507 HydrophobicContact CD1-CG1 4.04Å; I488-I507 HydrophobicContact CG1-CD1 3.83Å; I488-I507 HydrophobicContact CG1-CG1 4.38Å; I507-Y514 HydrophobicContact CG2-CD1 4.19Å; I507-R515 CarbonylContact C-O 3.56Å; I507-R515 WeakPolarHBondContact CA-O 3.48Å; I507-L516 HydrophobicContact CG1-CD1 4.39Å; I507-L526 HydrophobicContact CD1-CD1 3.79Å; I507-L529 HydrophobicContact CD1-CD2 4.06Å; I507-L529 HydrophobicContact CG1-CD2 4.15Å; I507-L529 HydrophobicContact CG2-CD2 3.74Å
508	E	93.9	Very high	86.7	Confident	44 Å²	44	72 Å²	72	21%	0.206	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	133.6	172.2	-166.8	177.5	-176.8	0	0	109.9	F485 Y514 R515	F485-E508 HydrophobicContact CD1-CB 4.1Å; F485-E508 HydrophobicContact CD1-CG 4.4Å; F485-E508 HydrophobicContact CE1-CB 3.71Å; F485-E508 HydrophobicContact CE1-CG 3.78Å; F485-E508 HydrophobicContact CZ-CG 4.31Å; E508-Y514 WeakPolarHBondContact O-CA 3.45Å; E508-R515 PolarHBondContact N-O 3.16Å; E508-R515 PolarHBondContact O-N 2.88Å; E508-R515 IonicContact OE1-NH2 3.52Å; E508-R515 PolarHBondContact OE1-NH2 2.79Å; E508-R515 IonicContact OE2-CZ 2.66Å; E508-R515 VanDerWaalsContact OE2-CZ 3.24Å; E508-R515 IonicContact OE2-NE 3.91Å; E508-R515 PolarHBondContact OE2-NE 2.82Å; E508-R515 IonicContact OE2-NH2 3.59Å; E508-R515 PolarHBondContact OE2-NH2 2.89Å
509	V	91.2	Very high	87.7	Confident	29 Å²	29	64 Å²	64	18%	0.176	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	119.5	178.7	-172.2	0	0	0	0	108	W478 N484 I486 Y514	W478-V509 HydrophobicContact CH2-CB 4.49Å; W478-V509 HydrophobicContact CH2-CG1 4.4Å; W478-V509 HydrophobicContact CH2-CG2 3.95Å; W478-V509 HydrophobicContact CZ3-CG2 4.05Å; N484-V509 PolarHBondContact O-N 3.11Å; I486-V509 HydrophobicContact CD1-CG2 3.91Å; I486-V509 HydrophobicContact CG1-CG2 3.96Å; V509-Y514 HydrophobicContact CB-CD1 4.49Å; V509-Y514 HydrophobicContact CB-CE1 4.4Å; V509-Y514 HydrophobicContact CG1-CD1 4.26Å; V509-Y514 HydrophobicContact CG1-CE1 3.8Å; V509-Y514 HydrophobicContact CG2-CD1 3.82Å; V509-Y514 HydrophobicContact CG2-CE1 3.79Å
510	D	83.2	Confident	88	Confident	97 Å²	97	68.6 Å²	68.6	52%	0.519	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	171.9	176.3	-157.2	-9.6	0	0	0	110.1	D512 G513	D510-D512 PolarHBondContact O-N 2.58Å; D510-G513 PolarHBondContact N-O 2.94Å; D510-G513 PolarHBondContact O-N 2.82Å; D510-G513 VanDerWaalsContact O-N 3.08Å
511	S	77	Confident	88.2	Confident	111 Å²	111	67 Å²	67	78%	0.776	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.6	-28.2	175.4	51.4	0	0	0	0	113.9
512	D	76	Confident	88.4	Confident	150 Å²	150	67.4 Å²	67.4	80%	0.802	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89	-3.4	179.1	-66.7	-37.4	0	0	0	114.1	D510	D510-D512 PolarHBondContact O-N 2.58Å
513	G	87	Confident	88.4	Confident	11 Å²	11	69.1 Å²	69.1	11%	0.113	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	130.9	-152.5	175.7	0	0	0	0	0	115.1	D510	D510-G513 PolarHBondContact N-O 2.94Å; D510-G513 PolarHBondContact O-N 2.82Å; D510-G513 VanDerWaalsContact O-N 3.08Å
514	Y	92.8	Very high	88.4	Confident	25 Å²	25	71 Å²	71	10%	0.098	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	124.1	-174	-61.3	-96.4	0	0	0	110.5	Q445 I486 I507 E508 V509 S522 R523 L526	Q445-Y514 PolarHBondContact NE2-OH 3.3Å; I486-Y514 HydrophobicContact CD1-CD1 4.37Å; I486-Y514 HydrophobicContact CD1-CE1 4.01Å; I507-Y514 HydrophobicContact CG2-CD1 4.19Å; E508-Y514 WeakPolarHBondContact O-CA 3.45Å; V509-Y514 HydrophobicContact CB-CD1 4.49Å; V509-Y514 HydrophobicContact CB-CE1 4.4Å; V509-Y514 HydrophobicContact CG1-CD1 4.26Å; V509-Y514 HydrophobicContact CG1-CE1 3.8Å; V509-Y514 HydrophobicContact CG2-CD1 3.82Å; V509-Y514 HydrophobicContact CG2-CE1 3.79Å; Y514-S522 CarbonylContact O-C 3.56Å; Y514-S522 VanDerWaalsContact O-CA 3.28Å; Y514-S522 WeakPolarHBondContact O-CA 3.41Å; Y514-R523 PolarHBondContact N-O 2.72Å; Y514-R523 PolarHBondContact O-N 3.29Å; Y514-L526 HydrophobicContact CD1-CB 3.86Å; Y514-L526 HydrophobicContact CD1-CD1 3.99Å; Y514-L526 HydrophobicContact CD1-CG 4.43Å; Y514-L526 HydrophobicContact CD2-CB 4.18Å; Y514-L526 HydrophobicContact CE1-CB 3.8Å; Y514-L526 HydrophobicContact CE1-CD1 4.46Å; Y514-L526 HydrophobicContact CE2-CB 4.11Å; Y514-L526 VanDerWaalsContact CE2-N 3.31Å; Y514-L526 HydrophobicContact CG-CB 4.06Å; Y514-L526 HydrophobicContact CG-CD1 4.48Å
515	R	93.1	Very high	88.2	Confident	107 Å²	107	70.1 Å²	70.1	40%	0.404	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	131.7	-178.7	174.6	172.4	59.4	-157.9	-4.1	111.3	I507 E508 Y517 T521	I507-R515 CarbonylContact C-O 3.56Å; I507-R515 WeakPolarHBondContact CA-O 3.48Å; E508-R515 PolarHBondContact N-O 3.16Å; E508-R515 PolarHBondContact O-N 2.88Å; E508-R515 IonicContact OE1-NH2 3.52Å; E508-R515 PolarHBondContact OE1-NH2 2.79Å; E508-R515 IonicContact OE2-CZ 2.66Å; E508-R515 VanDerWaalsContact OE2-CZ 3.24Å; E508-R515 IonicContact OE2-NE 3.91Å; E508-R515 PolarHBondContact OE2-NE 2.82Å; E508-R515 IonicContact OE2-NH2 3.59Å; E508-R515 PolarHBondContact OE2-NH2 2.89Å; R515-Y517 PolarHBondContact O-N 3.22Å; R515-T521 WeakPolarHBondContact CA-O 3.48Å
516	L	91	Very high	88	Confident	18 Å²	18	68.1 Å²	68.1	9%	0.094	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	117.1	171	179.5	69.2	0	0	0	109.3	F505 I507 G518 T519 T521 L533	F505-L516 HydrophobicContact CB-CD1 4.34Å; I507-L516 HydrophobicContact CG1-CD1 4.39Å; L516-G518 PolarHBondContact O-N 2.91Å; L516-T519 HydrophobicContact CD2-CG2 3.99Å; L516-T519 HydrophobicContact CG-CG2 4.3Å; L516-T519 PolarHBondContact O-N 3.48Å; L516-T519 VanDerWaalsContact O-N 3.1Å; L516-T519 PolarHBondContact O-OG1 3.07Å; L516-T521 PolarHBondContact N-O 3.49Å; L516-L533 HydrophobicContact CD2-CD2 3.91Å
517	Y	86.8	Confident	87.6	Confident	137 Å²	137	71.4 Å²	71.4	54%	0.537	39%	0.394	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.2	133.4	-173.6	-171	-97.5	0	0	0	111.5	F485 Q506 R515	F485-Y517 AromaticContact CE1-CD2 3.86Å; F485-Y517 HydrophobicContact CE1-CD2 3.86Å; F485-Y517 HydrophobicContact CE1-CE2 4.32Å; F485-Y517 HydrophobicContact CZ-CD2 4.33Å; F485-Y517 HydrophobicContact CZ-CE2 4.34Å; Q506-Y517 HydrophobicContact CB-CG 4.42Å; Q506-Y517 WeakPolarHBondContact O-CB 3.28Å; Q506-Y517 PolarHBondContact O-N 2.74Å; R515-Y517 PolarHBondContact O-N 3.22Å
518	G	81.9	Confident	87.4	Confident	77 Å²	77	75.2 Å²	75.2	79%	0.794	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.6	6.2	-175.3	0	0	0	0	0	114.9	L516	L516-G518 PolarHBondContact O-N 2.91Å
519	T	84.1	Confident	87.2	Confident	53 Å²	53	73.1 Å²	73.1	33%	0.325	40%	0.402	S	S	.	.	S	Bend	trans	-133.9	162.9	175.7	77	0	0	0	0	112	L516 T521	L516-T519 HydrophobicContact CD2-CG2 3.99Å; L516-T519 HydrophobicContact CG-CG2 4.3Å; L516-T519 PolarHBondContact O-N 3.48Å; L516-T519 VanDerWaalsContact O-N 3.1Å; L516-T519 PolarHBondContact O-OG1 3.07Å; T519-T521 PolarHBondContact O-N 3.48Å; T519-T521 WeakPolarHBondContact OG1-CB 3.23Å; T519-T521 PolarHBondContact OG1-N 2.88Å; T519-T521 PolarHBondContact OG1-OG1 3Å
520	D	83.3	Confident	87.2	Confident	168 Å²	168	72.5 Å²	72.5	90%	0.898	40%	0.397	S	S	*	.	S	Bend	trans	-82.3	9.7	171.6	-61.3	-37.6	0	0	0	112.9	S522	D520-S522 PolarHBondContact O-N 3.47Å
521	T	86.4	Confident	87.4	Confident	38 Å²	38	71.7 Å²	71.7	23%	0.233	39%	0.391	C	S	.	.			trans	-83.6	106.3	-176.1	-50.2	0	0	0	0	110.5	R515 L516 T519 L529	R515-T521 WeakPolarHBondContact CA-O 3.48Å; L516-T521 PolarHBondContact N-O 3.49Å; T519-T521 PolarHBondContact O-N 3.48Å; T519-T521 WeakPolarHBondContact OG1-CB 3.23Å; T519-T521 PolarHBondContact OG1-N 2.88Å; T519-T521 PolarHBondContact OG1-OG1 3Å; T521-L529 HydrophobicContact CG2-CD1 3.98Å
522	S	90.8	Very high	88	Confident	65 Å²	65	69 Å²	69	46%	0.455	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	150.2	174.3	66.8	0	0	0	0	113.3	Y514 D520	Y514-S522 CarbonylContact O-C 3.56Å; Y514-S522 VanDerWaalsContact O-CA 3.28Å; Y514-S522 WeakPolarHBondContact O-CA 3.41Å; D520-S522 PolarHBondContact O-N 3.47Å
523	R	92.4	Very high	88.6	Confident	89 Å²	89	62.1 Å²	62.1	34%	0.336	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	151.8	174.3	-64.7	-65.6	175.1	-112.9	0.6	110.6	Y514 T525 E528 L529 H532	Y514-R523 PolarHBondContact N-O 2.72Å; Y514-R523 PolarHBondContact O-N 3.29Å; R523-T525 VanDerWaalsContact C-N 3.3Å; R523-T525 PolarHBondContact O-N 2.9Å; R523-E528 HydrophobicContact CB-CB 3.93Å; R523-E528 HydrophobicContact CG-CB 4.15Å; R523-L529 HydrophobicContact CB-CB 4.05Å; R523-L529 HydrophobicContact CG-CB 4.18Å; R523-L529 HydrophobicContact CG-CD1 4.19Å; R523-H532 PolarHBondContact NH2-ND1 3.27Å
524	P	89.6	Confident	88.6	Confident	84 Å²	84	64.8 Å²	64.8	55%	0.545	34%	0.338	S	S	.	.	S	Bend	trans	-66.3	-30.3	-179.8	26.8	-35.2	0	0	0	112.9	E528	P524-E528 VanDerWaalsContact CD-OE2 3.28Å; P524-E528 WeakPolarHBondContact CD-OE2 3.07Å; P524-E528 WeakPolarHBondContact CG-OE2 3.24Å
525	T	89.1	Confident	88.3	Confident	57 Å²	57	72.9 Å²	72.9	35%	0.35	37%	0.369	S	S	.	.	S	Bend	trans	-121.8	148.3	178.7	69.9	0	0	0	0	112.1	R523 K527 E528 L529	R523-T525 VanDerWaalsContact C-N 3.3Å; R523-T525 PolarHBondContact O-N 2.9Å; T525-K527 PolarHBondContact O-N 2.87Å; T525-E528 PolarHBondContact O-N 3.3Å; T525-E528 WeakPolarHBondContact OG1-CB 3.4Å; T525-E528 VanDerWaalsContact OG1-CD 3.29Å; T525-E528 VanDerWaalsContact OG1-CG 3.23Å; T525-E528 WeakPolarHBondContact OG1-CG 3.39Å; T525-E528 PolarHBondContact OG1-N 2.83Å; T525-E528 PolarHBondContact OG1-OE1 2.99Å; T525-L529 PolarHBondContact O-N 3.07Å; T525-L529 VanDerWaalsContact O-N 3.11Å
526	L	88.6	Confident	88	Confident	4 Å²	4	72 Å²	72	2%	0.021	37%	0.369	C	S	.	.	H	α-helix	trans	-59.3	-38.3	176.6	180	60.4	0	0	0	111.2	T449 I486 I507 Y514 L529 L530	T449-L526 HydrophobicContact CG2-CD2 4.5Å; I486-L526 HydrophobicContact CD1-CD1 4.36Å; I486-L526 HydrophobicContact CD1-CD2 3.8Å; I507-L526 HydrophobicContact CD1-CD1 3.79Å; Y514-L526 HydrophobicContact CD1-CB 3.86Å; Y514-L526 HydrophobicContact CD1-CD1 3.99Å; Y514-L526 HydrophobicContact CD1-CG 4.43Å; Y514-L526 HydrophobicContact CD2-CB 4.18Å; Y514-L526 HydrophobicContact CE1-CB 3.8Å; Y514-L526 HydrophobicContact CE1-CD1 4.46Å; Y514-L526 HydrophobicContact CE2-CB 4.11Å; Y514-L526 VanDerWaalsContact CE2-N 3.31Å; Y514-L526 HydrophobicContact CG-CB 4.06Å; Y514-L526 HydrophobicContact CG-CD1 4.48Å; L526-L529 PolarHBondContact O-N 3.25Å; L526-L530 HydrophobicContact CD1-CD1 4.23Å; L526-L530 HydrophobicContact CD1-CG 4.25Å; L526-L530 HydrophobicContact CG-CD1 3.93Å; L526-L530 HydrophobicContact CG-CG 4.39Å; L526-L530 VanDerWaalsContact O-CG 3.28Å; L526-L530 WeakPolarHBondContact O-CG 3.38Å; L526-L530 PolarHBondContact O-N 2.85Å
527	K	87	Confident	87.7	Confident	136 Å²	136	73.9 Å²	73.9	59%	0.591	38%	0.383	S	S	*	.	H	α-helix	trans	-59.7	-48.3	177.9	-175.7	178.6	173.6	-175.5	0	111.5	T525 L529 L530 E531	T525-K527 PolarHBondContact O-N 2.87Å; K527-L529 VanDerWaalsContact C-N 3.31Å; K527-L529 PolarHBondContact O-N 3.44Å; K527-L530 PolarHBondContact O-N 3.45Å; K527-E531 WeakPolarHBondContact CE-OE1 3.47Å; K527-E531 WeakPolarHBondContact O-CG 3.47Å; K527-E531 PolarHBondContact O-N 3.12Å
528	E	89.3	Confident	87.7	Confident	80 Å²	80	68.9 Å²	68.9	37%	0.374	37%	0.365	S	S	.	.	H	α-helix	trans	-63.7	-36.3	177	-75.9	167.5	-130.3	0	0	112.7	R523 P524 T525 H532	R523-E528 HydrophobicContact CB-CB 3.93Å; R523-E528 HydrophobicContact CG-CB 4.15Å; P524-E528 VanDerWaalsContact CD-OE2 3.28Å; P524-E528 WeakPolarHBondContact CD-OE2 3.07Å; P524-E528 WeakPolarHBondContact CG-OE2 3.24Å; T525-E528 PolarHBondContact O-N 3.3Å; T525-E528 WeakPolarHBondContact OG1-CB 3.4Å; T525-E528 VanDerWaalsContact OG1-CD 3.29Å; T525-E528 VanDerWaalsContact OG1-CG 3.23Å; T525-E528 WeakPolarHBondContact OG1-CG 3.39Å; T525-E528 PolarHBondContact OG1-N 2.83Å; T525-E528 PolarHBondContact OG1-OE1 2.99Å; E528-H532 WeakPolarHBondContact O-CB 3.38Å; E528-H532 PolarHBondContact O-N 3.3Å
529	L	90.8	Very high	87.8	Confident	0 Å²	0	71.6 Å²	71.6	0%	0	36%	0.357	C	S	.	.	H	α-helix	trans	-63	-47.1	175	-175.4	63.3	0	0	0	110.8	I507 T521 R523 T525 L526 K527 H532 L533	I507-L529 HydrophobicContact CD1-CD2 4.06Å; I507-L529 HydrophobicContact CG1-CD2 4.15Å; I507-L529 HydrophobicContact CG2-CD2 3.74Å; T521-L529 HydrophobicContact CG2-CD1 3.98Å; R523-L529 HydrophobicContact CB-CB 4.05Å; R523-L529 HydrophobicContact CG-CB 4.18Å; R523-L529 HydrophobicContact CG-CD1 4.19Å; T525-L529 PolarHBondContact O-N 3.07Å; T525-L529 VanDerWaalsContact O-N 3.11Å; L526-L529 PolarHBondContact O-N 3.25Å; K527-L529 VanDerWaalsContact C-N 3.31Å; K527-L529 PolarHBondContact O-N 3.44Å; L529-H532 WeakPolarHBondContact O-CB 3.41Å; L529-H532 PolarHBondContact O-N 2.62Å; L529-L533 HydrophobicContact CD1-CD1 4.48Å; L529-L533 HydrophobicContact CG-CD1 4.11Å; L529-L533 VanDerWaalsContact O-CG 3.29Å; L529-L533 WeakPolarHBondContact O-CG 3.35Å; L529-L533 PolarHBondContact O-N 3.24Å
530	L	90.3	Very high	87.7	Confident	15 Å²	15	70.4 Å²	70.4	8%	0.079	35%	0.35	C	S	.	.	H	α-helix	trans	-65.9	-44.5	-179.9	-65.7	167.7	0	0	0	112	Y474 L476 I488 L526 K527 H532 L533 E534	Y474-L530 HydrophobicContact CE2-CD2 4.31Å; L476-L530 HydrophobicContact CD1-CD1 3.46Å; L476-L530 VanDerWaalsContact CD1-CD1 3.46Å; L476-L530 HydrophobicContact CD1-CD2 4.33Å; L476-L530 HydrophobicContact CD2-CD1 4.43Å; L476-L530 HydrophobicContact CD2-CD2 3.87Å; I488-L530 HydrophobicContact CD1-CD2 4.49Å; L526-L530 HydrophobicContact CD1-CD1 4.23Å; L526-L530 HydrophobicContact CD1-CG 4.25Å; L526-L530 HydrophobicContact CG-CD1 3.93Å; L526-L530 HydrophobicContact CG-CG 4.39Å; L526-L530 VanDerWaalsContact O-CG 3.28Å; L526-L530 WeakPolarHBondContact O-CG 3.38Å; L526-L530 PolarHBondContact O-N 2.85Å; K527-L530 PolarHBondContact O-N 3.45Å; L530-H532 PolarHBondContact O-N 3.32Å; L530-L533 PolarHBondContact O-N 2.96Å; L530-L533 VanDerWaalsContact O-N 3.08Å; L530-E534 WeakPolarHBondContact O-CB 3.32Å; L530-E534 WeakPolarHBondContact O-CG 3.43Å; L530-E534 PolarHBondContact O-N 3.48Å
531	E	88.3	Confident	87.4	Confident	81 Å²	81	68.3 Å²	68.3	38%	0.379	34%	0.339	S	S	.	.	H	α-helix	trans	-59.8	-34.6	174.9	-73.8	177.2	-173	0	0	112	K527 R535	K527-E531 WeakPolarHBondContact CE-OE1 3.47Å; K527-E531 WeakPolarHBondContact O-CG 3.47Å; K527-E531 PolarHBondContact O-N 3.12Å; E531-R535 WeakPolarHBondContact O-CG 3.48Å
532	H	88.8	Confident	86.7	Confident	54 Å²	54	72.6 Å²	72.6	25%	0.25	36%	0.36	C	S	.	.	H	α-helix	trans	-67.8	-47	172.7	-178.5	69.7	0	0	0	111.5	R523 E528 L529 L530 R535 Q536	R523-H532 PolarHBondContact NH2-ND1 3.27Å; E528-H532 WeakPolarHBondContact O-CB 3.38Å; E528-H532 PolarHBondContact O-N 3.3Å; L529-H532 WeakPolarHBondContact O-CB 3.41Å; L529-H532 PolarHBondContact O-N 2.62Å; L530-H532 PolarHBondContact O-N 3.32Å; H532-R535 PolarHBondContact O-N 3.44Å; H532-Q536 WeakPolarHBondContact O-CG 3.39Å
533	L	89.3	Confident	86	Confident	5 Å²	5	69.9 Å²	69.9	3%	0.026	34%	0.34	C	S	.	.	H	α-helix	trans	-67.8	-35	-178.7	-67.3	173.3	0	0	0	113.3	I488 L516 L529 L530 R535 Q536 L538 L547	I488-L533 HydrophobicContact CD1-CD1 4.21Å; L516-L533 HydrophobicContact CD2-CD2 3.91Å; L529-L533 HydrophobicContact CD1-CD1 4.48Å; L529-L533 HydrophobicContact CG-CD1 4.11Å; L529-L533 VanDerWaalsContact O-CG 3.29Å; L529-L533 WeakPolarHBondContact O-CG 3.35Å; L529-L533 PolarHBondContact O-N 3.24Å; L530-L533 PolarHBondContact O-N 2.96Å; L530-L533 VanDerWaalsContact O-N 3.08Å; L533-R535 PolarHBondContact O-N 3.43Å; L533-Q536 PolarHBondContact O-N 2.92Å; L533-L538 HydrophobicContact CD2-CD2 4.07Å; L533-L547 HydrophobicContact CB-CD1 3.78Å; L533-L547 HydrophobicContact CD1-CD1 4.43Å
534	E	87.7	Confident	85.6	Confident	67 Å²	67	70.4 Å²	70.4	31%	0.313	35%	0.346	S	S	.	.	H	α-helix	trans	-62.1	-24.9	176	-76.2	176.9	175.6	0	0	112.7	Y474 L530 Q546 L547	Y474-E534 PolarHBondContact OH-OE1 3.28Å; L530-E534 WeakPolarHBondContact O-CB 3.32Å; L530-E534 WeakPolarHBondContact O-CG 3.43Å; L530-E534 PolarHBondContact O-N 3.48Å; E534-Q546 PolarHBondContact O-NE2 2.79Å; E534-L547 HydrophobicContact CG-CB 3.91Å
535	R	85.8	Confident	85.4	Confident	196 Å²	196	66.7 Å²	66.7	74%	0.74	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.7	-4.4	176.6	-63.7	176.8	-173	174.7	5.7	113.6	E531 H532 L533	E531-R535 WeakPolarHBondContact O-CG 3.48Å; H532-R535 PolarHBondContact O-N 3.44Å; L533-R535 PolarHBondContact O-N 3.43Å
536	Q	86.4	Confident	85.4	Confident	89 Å²	89	67.8 Å²	67.8	42%	0.416	32%	0.323	S	S	.	.	S	Bend	trans	-107	155.9	-177.3	-61.4	-59.3	-33.6	0	0	111.5	H532 L533	H532-Q536 WeakPolarHBondContact O-CG 3.39Å; L533-Q536 PolarHBondContact O-N 2.92Å
537	C	84.8	Confident	85.4	Confident	56 Å²	56	67.8 Å²	67.8	38%	0.378	32%	0.323	S	S	.	.			trans	-98.6	113	169.5	-156.2	0	0	0	0	109.6	H539 Q544	C537-H539 PolarHBondContact O-CE1 3.33Å; C537-H539 PolarHBondContact O-ND1 3.23Å; C537-H539 VanDerWaalsContact O-ND1 3.08Å; C537-Q544 WeakPolarHBondContact SG-CG 3.26Å; C537-Q544 PolarHBondContact SG-NE2 3.23Å
538	L	86.6	Confident	85.3	Confident	33 Å²	33	69.6 Å²	69.6	17%	0.173	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	139.8	-173.8	-61.1	169.7	0	0	0	109.8	L533 Q544 F545 L547	L533-L538 HydrophobicContact CD2-CD2 4.07Å; L538-Q544 WeakPolarHBondContact O-CA 3.32Å; L538-F545 HydrophobicContact CB-CD2 4.45Å; L538-F545 HydrophobicContact CB-CE1 4.02Å; L538-F545 HydrophobicContact CB-CE2 3.93Å; L538-F545 HydrophobicContact CB-CZ 3.68Å; L538-F545 HydrophobicContact CD1-CE2 3.68Å; L538-F545 HydrophobicContact CD1-CZ 3.96Å; L538-F545 HydrophobicContact CG-CE2 4.44Å; L538-F545 HydrophobicContact CG-CZ 4.49Å; L538-F545 PolarHBondContact N-O 3.24Å; L538-F545 PolarHBondContact O-N 2.79Å; L538-L547 HydrophobicContact CD1-CD1 4.15Å; L538-L547 HydrophobicContact CD1-CD2 4.27Å; L538-L547 HydrophobicContact CD1-CG 3.8Å
539	H	83.5	Confident	85.1	Confident	133 Å²	133	69.4 Å²	69.4	62%	0.616	32%	0.322	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-123.2	130	-178.2	-62	76.4	0	0	0	109.3	C537 M543	C537-H539 PolarHBondContact O-CE1 3.33Å; C537-H539 PolarHBondContact O-ND1 3.23Å; C537-H539 VanDerWaalsContact O-ND1 3.08Å; H539-M543 WeakPolarHBondContact CA-O 3.48Å
540	T	82.4	Confident	84.9	Confident	28 Å²	28	70.9 Å²	70.9	17%	0.172	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	131.6	171.3	-170.6	0	0	0	0	108.7	K503 F505 N542 M543 F545	K503-T540 HydrophobicContact CD-CG2 4.38Å; K503-T540 HydrophobicContact CG-CG2 4.14Å; F505-T540 HydrophobicContact CE1-CG2 4.49Å; F505-T540 HydrophobicContact CZ-CG2 3.86Å; T540-N542 PolarHBondContact O-N 3.48Å; T540-N542 VanDerWaalsContact O-N 3.15Å; T540-M543 HydrophobicContact CG2-CB 4.29Å; T540-M543 PolarHBondContact N-O 3.03Å; T540-M543 WeakPolarHBondContact O-CB 3.38Å; T540-M543 PolarHBondContact O-N 2.93Å; T540-F545 HydrophobicContact CG2-CE1 3.98Å
541	D	77.3	Confident	84.8	Confident	125 Å²	125	70.2 Å²	70.2	67%	0.668	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.5	-118.2	-177.5	-48.3	-42	0	0	0	111.8	K503	K503-D541 IonicContact NZ-OD2 3.09Å; K503-D541 PolarHBondContact NZ-OD2 3.03Å
542	N	72.4	Confident	84.6	Confident	127 Å²	127	67.8 Å²	67.8	68%	0.679	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.3	22.3	174.7	-63.7	-15.1	0	0	0	112.8	I495 T540	I495-N542 WeakPolarHBondContact CD1-O 3.36Å; I495-N542 WeakPolarHBondContact CG1-O 3.15Å; T540-N542 PolarHBondContact O-N 3.48Å; T540-N542 VanDerWaalsContact O-N 3.15Å
543	M	76.7	Confident	84.2	Confident	8 Å²	8	66.4 Å²	66.4	4%	0.039	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	134.2	-173	-50.8	179.3	87.8	0	0	110.5	C492 H493 E494 Q501 H539 T540	C492-M543 HydrophobicContact CB-CE 3.39Å; C492-M543 HydrophobicContact CB-SD 4.03Å; H493-M543 WeakPolarHBondContact O-CE 3.24Å; E494-M543 HydrophobicContact CB-CE 4.17Å; Q501-M543 HydrophobicContact CB-CE 4.02Å; Q501-M543 HydrophobicContact CB-SD 4.45Å; Q501-M543 HydrophobicContact CG-CE 4.18Å; H539-M543 WeakPolarHBondContact CA-O 3.48Å; T540-M543 HydrophobicContact CG2-CB 4.29Å; T540-M543 PolarHBondContact N-O 3.03Å; T540-M543 WeakPolarHBondContact O-CB 3.38Å; T540-M543 PolarHBondContact O-N 2.93Å
544	Q	82.7	Confident	83.4	Confident	100 Å²	100	70.4 Å²	70.4	47%	0.467	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	126	176.2	-179.9	178.5	1.4	0	0	108.6	C537 L538	C537-Q544 WeakPolarHBondContact SG-CG 3.26Å; C537-Q544 PolarHBondContact SG-NE2 3.23Å; L538-Q544 WeakPolarHBondContact O-CA 3.32Å
545	F	85.8	Confident	82	Confident	6 Å²	6	69.2 Å²	69.2	3%	0.026	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	167.2	-179.5	67.8	-82.8	0	0	0	111.1	V490 C492 F505 L538 T540 L547	V490-F545 HydrophobicContact CB-CE2 4.35Å; V490-F545 HydrophobicContact CG1-CD2 4.4Å; V490-F545 HydrophobicContact CG1-CE2 3.74Å; V490-F545 HydrophobicContact CG1-CZ 3.9Å; V490-F545 HydrophobicContact CG2-CD2 3.89Å; V490-F545 HydrophobicContact CG2-CE2 3.87Å; C492-F545 VanDerWaalsContact SG-CD1 3.54Å; F505-F545 HydrophobicContact CD2-CZ 4.33Å; F505-F545 AromaticContact CE2-CE1 3.98Å; F505-F545 HydrophobicContact CE2-CE1 3.98Å; F505-F545 HydrophobicContact CE2-CE2 4.29Å; F505-F545 AromaticContact CE2-CZ 3.36Å; F505-F545 HydrophobicContact CE2-CZ 3.36Å; F505-F545 AromaticContact CZ-CE1 3.75Å; F505-F545 HydrophobicContact CZ-CE1 3.75Å; F505-F545 AromaticContact CZ-CZ 3.51Å; F505-F545 HydrophobicContact CZ-CZ 3.51Å; L538-F545 HydrophobicContact CB-CD2 4.45Å; L538-F545 HydrophobicContact CB-CE1 4.02Å; L538-F545 HydrophobicContact CB-CE2 3.93Å; L538-F545 HydrophobicContact CB-CZ 3.68Å; L538-F545 HydrophobicContact CD1-CE2 3.68Å; L538-F545 HydrophobicContact CD1-CZ 3.96Å; L538-F545 HydrophobicContact CG-CE2 4.44Å; L538-F545 HydrophobicContact CG-CZ 4.49Å; L538-F545 PolarHBondContact N-O 3.24Å; L538-F545 PolarHBondContact O-N 2.79Å; T540-F545 HydrophobicContact CG2-CE1 3.98Å; F545-L547 HydrophobicContact CE2-CD2 4.01Å
546	Q	88.9	Confident	80.5	Confident	80 Å²	80	64.2 Å²	64.2	37%	0.374	31%	0.314	S	S	.	.			trans	-127.4	140	174.4	-177.7	172.8	15.5	0	0	108.5	G472 E534 R548	G472-Q546 WeakPolarHBondContact CA-O 3.35Å; E534-Q546 PolarHBondContact O-NE2 2.79Å; Q546-R548 PolarHBondContact O-N 3.5Å
547	L	89.6	Confident	78.7	Confident	5 Å²	5	62.6 Å²	62.6	3%	0.026	32%	0.32	C	S	.	.			trans	-69.2	124.3	172.5	-62.2	-179	0	0	0	108.8	Y474 I488 V490 L533 E534 L538 F545	Y474-L547 HydrophobicContact CD1-CB 4Å; Y474-L547 HydrophobicContact CD1-CD2 3.79Å; Y474-L547 HydrophobicContact CD1-CG 4.35Å; Y474-L547 HydrophobicContact CE1-CB 3.81Å; Y474-L547 HydrophobicContact CE1-CD1 4.49Å; Y474-L547 HydrophobicContact CE1-CD2 4.34Å; Y474-L547 HydrophobicContact CE1-CG 4.44Å; Y474-L547 HydrophobicContact CG-CD2 4Å; I488-L547 HydrophobicContact CG2-CD2 4.35Å; V490-L547 HydrophobicContact CB-CD2 4.41Å; V490-L547 HydrophobicContact CG2-CD2 4.01Å; L533-L547 HydrophobicContact CB-CD1 3.78Å; L533-L547 HydrophobicContact CD1-CD1 4.43Å; E534-L547 HydrophobicContact CG-CB 3.91Å; L538-L547 HydrophobicContact CD1-CD1 4.15Å; L538-L547 HydrophobicContact CD1-CD2 4.27Å; L538-L547 HydrophobicContact CD1-CG 3.8Å; F545-L547 HydrophobicContact CE2-CD2 4.01Å
548	R	84.2	Confident	77.9	Confident	174 Å²	174	61.6 Å²	61.6	66%	0.657	31%	0.31	S	S	*	.			trans	-116.2	-46.8	-176.2	-67.3	-171.8	178.5	-174.1	2.6	113	G472 Q546	G472-R548 PolarHBondContact O-N 3.27Å; Q546-R548 PolarHBondContact O-N 3.5Å
549	R	84.3	Confident	77.6	Confident	75 Å²	75	63 Å²	63	28%	0.283	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	121.9	-168.8	-172.5	176.5	69.1	-169.3	0.6	111.4	E467 E470 G472 T473 Y474	E467-R549 PolarHBondContact O-NH2 3.49Å; E470-R549 VanDerWaalsContact CD-NH1 3.32Å; E470-R549 IonicContact OE1-CZ 2.66Å; E470-R549 IonicContact OE1-NH1 3.68Å; E470-R549 PolarHBondContact OE1-NH1 3.47Å; E470-R549 IonicContact OE1-NH2 2.92Å; E470-R549 PolarHBondContact OE1-NH2 3.15Å; E470-R549 IonicContact OE2-CZ 3.15Å; E470-R549 IonicContact OE2-NH1 3.74Å; E470-R549 PolarHBondContact OE2-NH1 3.02Å; E470-R549 VanDerWaalsContact OE2-NH1 3.13Å; E470-R549 IonicContact OE2-NH2 2.99Å; G472-R549 PolarHBondContact O-N 2.89Å; T473-R549 CarbonylContact C-O 3.49Å; T473-R549 WeakPolarHBondContact CA-O 3.43Å; T473-R549 PolarHBondContact OG1-NH2 3.14Å; Y474-R549 VanDerWaalsContact CD1-O 3.31Å; Y474-R549 WeakPolarHBondContact CD1-O 3.45Å; Y474-R549 PolarHBondContact N-O 2.93Å
550	C	87.8	Confident	77.7	Confident	32 Å²	32	57 Å²	57	22%	0.216	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	136.4	170.5	-170.9	0	0	0	0	110.7	Y474 P552	Y474-C550 HydrophobicContact CD2-CB 4.3Å; Y474-C550 HydrophobicContact CE1-CB 4.13Å; Y474-C550 HydrophobicContact CE2-CB 3.66Å; Y474-C550 CarbonylContact O-C 3.55Å; Y474-C550 WeakPolarHBondContact O-CA 3.29Å; C550-P552 WeakPolarHBondContact O-CD 3.31Å
551	C	86.8	Confident	78.1	Confident	0 Å²	0	55.8 Å²	55.8	0%	0	28%	0.283	C	S	.	.			trans	-99.8	102.8	172.5	-65.1	0	0	0	0	109.9	H452 E467 T473 Y474 I475	H452-C551 PolarHBondContact CE1-O 3.07Å; E467-C551 HydrophobicContact CG-CB 4.42Å; T473-C551 WeakPolarHBondContact CG2-SG 3.33Å; Y474-C551 PolarHBondContact O-N 3.18Å; I475-C551 HydrophobicContact CG1-CB 3.88Å
552	P	84.1	Confident	78.7	Confident	31 Å²	31	50.3 Å²	50.3	20%	0.201	25%	0.253	C	S	.	.	P	Polyproline II helix	trans	-80.9	159.4	-176.4	33.9	-36.7	0	0	0	113	K463 C550 K848	K463-P552 WeakPolarHBondContact CE-O 3.25Å; K463-P552 PolarHBondContact NZ-O 3.12Å; C550-P552 WeakPolarHBondContact O-CD 3.31Å; P552-K848 HydrophobicContact CG-CB 4.04Å
553	P	82.4	Confident	79.5	Confident	25 Å²	25	45.2 Å²	45.2	16%	0.162	23%	0.226	C	C	.	.	P	Polyproline II helix	trans	-53	138.5	176.6	-21.9	29	0	0	0	114	H431 G450 H452 E558	H431-P553 HydrophobicContact CB-CB 3.85Å; H431-P553 HydrophobicContact CB-CG 4.27Å; G450-P553 WeakPolarHBondContact O-CD 3.41Å; H452-P553 HydrophobicContact CB-CG 4.48Å; P553-E558 WeakPolarHBondContact CA-OE2 3.42Å
554	Q	72.3	Confident	80.2	Confident	89 Å²	89	45.1 Å²	45.1	42%	0.416	23%	0.226	S	C	.	.	P	Polyproline II helix	trans	-103.8	135.4	176	-63.5	176.5	7.2	0	0	111.9	E467 E558	E467-Q554 PolarHBondContact OE1-NE2 3.29Å; Q554-E558 HydrophobicContact CB-CG 3.87Å; Q554-E558 VanDerWaalsContact CB-OE1 3.31Å; Q554-E558 WeakPolarHBondContact CB-OE1 3.38Å; Q554-E558 HydrophobicContact CG-CG 4.47Å; Q554-E558 WeakPolarHBondContact CG-OE1 3.45Å; Q554-E558 PolarHBondContact N-OE1 3.36Å; Q554-E558 PolarHBondContact N-OE2 2.73Å
555	P	57.7	Low	80.1	Confident	41 Å²	41	41.7 Å²	41.7	27%	0.266	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.2	144.2	-175.9	-10.9	24.8	0	0	0	113.2	D429 G557 F852	D429-P555 WeakPolarHBondContact OD2-CA 3.21Å; D429-P555 WeakPolarHBondContact OD2-CB 3.32Å; P555-G557 PolarHBondContact O-N 2.71Å; P555-F852 HydrophobicContact CB-CD2 4.49Å; P555-F852 HydrophobicContact CB-CE2 4.47Å; P555-F852 HydrophobicContact CG-CD1 3.57Å; P555-F852 HydrophobicContact CG-CD2 3.36Å; P555-F852 HydrophobicContact CG-CE1 3.29Å; P555-F852 HydrophobicContact CG-CE2 3.07Å; P555-F852 HydrophobicContact CG-CG 3.63Å; P555-F852 HydrophobicContact CG-CZ 3.06Å
556	R	53.3	Low	79.6	Confident	92 Å²	92	42.8 Å²	42.8	35%	0.347	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.2	-4.3	175.6	-64.1	-176.5	166.7	-145.3	-15.2	116.7	H381 I383 V428 D429 R854	H381-R556 PolarHBondContact O-NH1 3.47Å; H381-R556 PolarHBondContact O-NH2 3.4Å; I383-R556 PolarHBondContact O-NH2 2.9Å; V428-R556 HydrophobicContact CG1-CG 4.44Å; D429-R556 PolarHBondContact OD2-N 2.97Å; D429-R556 VanDerWaalsContact OD2-N 3.07Å; R556-R854 VanDerWaalsContact CZ-CZ 3.46Å; R556-R854 VanDerWaalsContact CZ-NH1 3.35Å; R556-R854 VanDerWaalsContact NH2-CZ 3.33Å
557	G	50.5	Low	77.8	Confident	54 Å²	54	46.5 Å²	46.5	56%	0.557	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-113.2	-16	-176.9	0	0	0	0	0	114.1	P555	P555-G557 PolarHBondContact O-N 2.71Å
558	E	66.9	Low	75.8	Confident	35 Å²	35	53.5 Å²	53.5	16%	0.164	27%	0.266	C	S	.	.			trans	-99.5	101.3	179.7	-85.7	174.8	-168.4	0	0	112.7	H452 K463 P553 Q554	H452-E558 IonicContact NE2-OE2 3.57Å; K463-E558 WeakPolarHBondContact CD-OE1 3.4Å; K463-E558 WeakPolarHBondContact CE-OE1 3.22Å; K463-E558 IonicContact NZ-OE1 3.8Å; K463-E558 PolarHBondContact NZ-OE1 3.22Å; K463-E558 IonicContact NZ-OE2 2.62Å; K463-E558 PolarHBondContact NZ-OE2 3.19Å; P553-E558 WeakPolarHBondContact CA-OE2 3.42Å; Q554-E558 HydrophobicContact CB-CG 3.87Å; Q554-E558 VanDerWaalsContact CB-OE1 3.31Å; Q554-E558 WeakPolarHBondContact CB-OE1 3.38Å; Q554-E558 HydrophobicContact CG-CG 4.47Å; Q554-E558 WeakPolarHBondContact CG-OE1 3.45Å; Q554-E558 PolarHBondContact N-OE1 3.36Å; Q554-E558 PolarHBondContact N-OE2 2.73Å
559	I	79.9	Confident	74.1	Confident	63 Å²	63	49.1 Å²	49.1	32%	0.323	25%	0.25	S	C	.	.			trans	-82.3	129.1	174	-50.1	175.9	0	0	0	109.2	H128 Y459 C573	H128-I559 HydrophobicContact CB-CG2 3.76Å; H128-I559 WeakPolarHBondContact CD2-CG2 3.25Å; H128-I559 WeakPolarHBondContact ND1-CG2 3.43Å; H128-I559 WeakPolarHBondContact NE2-CG2 3.27Å; Y459-I559 VanDerWaalsContact CD1-O 3.31Å; Y459-I559 WeakPolarHBondContact CD1-O 3.33Å; Y459-I559 VanDerWaalsContact CE1-O 3.23Å; Y459-I559 WeakPolarHBondContact CE1-O 3.47Å; I559-C573 HydrophobicContact CD1-CB 3.6Å
560	S	86.9	Confident	71.7	Confident	7 Å²	7	49.7 Å²	49.7	5%	0.049	27%	0.27	C	S	.	.			trans	-142.8	172.6	178.9	70.7	0	0	0	0	112	H128 L562 L563	H128-S560 WeakPolarHBondContact CB-O 3.45Å; S560-L562 PolarHBondContact O-N 3.24Å; S560-L562 WeakPolarHBondContact OG-CB 3.36Å; S560-L562 PolarHBondContact OG-N 2.95Å; S560-L563 PolarHBondContact O-N 2.92Å
561	N	89.3	Confident	69.1	Low	3 Å²	3	51.6 Å²	51.6	2%	0.016	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-12.7	172.3	59	-70.9	0	0	0	114.1	L72 R127 H128 P454 I455 C456 Y459 L563	L72-N561 WeakPolarHBondContact CD1-ND2 3.41Å; R127-N561 VanDerWaalsContact CD-O 3.31Å; R127-N561 WeakPolarHBondContact CD-O 3.41Å; R127-N561 WeakPolarHBondContact CG-O 3.13Å; R127-N561 PolarHBondContact NH1-O 2.92Å; H128-N561 WeakPolarHBondContact O-CA 3.36Å; P454-N561 PolarHBondContact O-ND2 2.75Å; P454-N561 VanDerWaalsContact O-ND2 3.12Å; I455-N561 WeakPolarHBondContact CA-OD1 3.33Å; C456-N561 PolarHBondContact N-OD1 2.92Å; C456-N561 PolarHBondContact SG-ND2 3.28Å; Y459-N561 HydrophobicContact CD2-CB 4.37Å; Y459-N561 WeakPolarHBondContact CD2-OD1 3.49Å; Y459-N561 HydrophobicContact CE2-CB 3.84Å; Y459-N561 VanDerWaalsContact CE2-N 3.3Å; N561-L563 VanDerWaalsContact C-N 3.3Å
562	L	90.3	Very high	66.4	Low	9 Å²	9	56.8 Å²	56.8	5%	0.047	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-27.9	175.5	-54.3	-177.4	0	0	0	111.9	L72 R127 A430 P454 I455 S560	L72-L562 HydrophobicContact CD1-CD2 3.55Å; R127-L562 PolarHBondContact NH1-O 3.48Å; R127-L562 VanDerWaalsContact NH1-O 3.1Å; A430-L562 HydrophobicContact CB-CB 3.59Å; A430-L562 HydrophobicContact CB-CD1 3.76Å; A430-L562 HydrophobicContact CB-CG 4.32Å; P454-L562 HydrophobicContact CG-CD2 3.78Å; I455-L562 HydrophobicContact CG2-CD1 3.71Å; I455-L562 HydrophobicContact CG2-CG 4Å; S560-L562 PolarHBondContact O-N 3.24Å; S560-L562 WeakPolarHBondContact OG-CB 3.36Å; S560-L562 PolarHBondContact OG-N 2.95Å
563	L	90.3	Very high	63.6	Low	20 Å²	20	59.4 Å²	59.4	11%	0.105	33%	0.329	C	S	.	.	S	Bend	trans	-88.1	141.2	-177.5	-59.9	-177.6	0	0	0	112.2	R127 H128 L426 A430 S560 N561	R127-L563 WeakPolarHBondContact CA-O 3.41Å; H128-L563 PolarHBondContact N-O 2.96Å; L426-L563 CarbonylContact O-C 3.52Å; L426-L563 WeakPolarHBondContact O-CA 3.18Å; A430-L563 HydrophobicContact CB-CD2 4.08Å; S560-L563 PolarHBondContact O-N 2.92Å; N561-L563 VanDerWaalsContact C-N 3.3Å
564	V	89.8	Confident	60.8	Low	7 Å²	7	65.4 Å²	65.4	4%	0.042	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	130.3	178.4	-176.8	0	0	0	0	109.6	F112 V125 L147 L426	F112-V564 HydrophobicContact CD1-CG1 4.02Å; F112-V564 HydrophobicContact CD2-CG1 4.36Å; F112-V564 HydrophobicContact CE1-CB 4.26Å; F112-V564 HydrophobicContact CE1-CG1 3.9Å; F112-V564 HydrophobicContact CE2-CB 4.41Å; F112-V564 HydrophobicContact CE2-CG1 4.24Å; F112-V564 HydrophobicContact CE2-CG2 3.99Å; F112-V564 HydrophobicContact CG-CG1 4.25Å; F112-V564 HydrophobicContact CZ-CB 4.02Å; F112-V564 HydrophobicContact CZ-CG1 4.01Å; F112-V564 HydrophobicContact CZ-CG2 4Å; V125-V564 HydrophobicContact CG1-CG1 3.19Å; L147-V564 HydrophobicContact CD1-CG1 4.28Å; L147-V564 HydrophobicContact CD1-CG2 3.55Å; L426-V564 HydrophobicContact CB-CG2 4.39Å; L426-V564 HydrophobicContact CD2-CG2 4.47Å; L426-V564 PolarHBondContact O-N 3.4Å
565	V	81.2	Confident	58.5	Low	27 Å²	27	66.6 Å²	66.6	16%	0.164	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	120.5	-179.3	-176.8	0	0	0	0	109.6	W126 H128	W126-V565 HydrophobicContact CZ2-CG1 4.39Å; W126-V565 PolarHBondContact O-N 3.32Å; H128-V565 HydrophobicContact CB-CG2 4.1Å
566	T	74.8	Confident	57	Low	30 Å²	30	71.1 Å²	71.1	18%	0.184	40%	0.397	C	S	.	.			trans	-114	148.4	168.9	63	0	0	0	0	109.2	F112 V125 E568 R569	F112-T566 HydrophobicContact CD1-CG2 4.4Å; V125-T566 HydrophobicContact CG1-CG2 4.4Å; T566-E568 PolarHBondContact O-N 3.11Å; T566-R569 PolarHBondContact O-N 2.96Å
567	K	52.2	Low	55.7	Low	158 Å²	158	76.3 Å²	76.3	69%	0.687	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	-18	-158.4	-151.2	-146	-158.9	125.2	0	117	S123 R569	S123-K567 WeakPolarHBondContact OG-CD 3.37Å; S123-K567 WeakPolarHBondContact OG-CE 3.48Å; S123-K567 PolarHBondContact OG-NZ 2.94Å; K567-R569 PolarHBondContact O-N 3.4Å
568	E	47.2	Very low	54.7	Low	152 Å²	152	82.6 Å²	82.6	71%	0.71	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.9	-13.1	-174.3	-71.8	-172.6	167	0	0	114.3	T566	T566-E568 PolarHBondContact O-N 3.11Å
569	R	47.5	Very low	52.9	Low	82 Å²	82	89.4 Å²	89.4	31%	0.309	47%	0.469	S	S	.	.			trans	-132.4	6.2	-161.5	-63.4	-168.3	-176.9	-166.8	6.4	118.7	D379 H381 T566 K567 S571	D379-R569 IonicContact OD2-CZ 3.64Å; D379-R569 IonicContact OD2-NH2 3.89Å; D379-R569 PolarHBondContact OD2-NH2 3.3Å; H381-R569 VanDerWaalsContact CB-NH1 3.32Å; H381-R569 PolarHBondContact CD2-NH1 3Å; H381-R569 PolarHBondContact CE1-NH1 2.83Å; H381-R569 PolarHBondContact ND1-NH1 2.96Å; H381-R569 VanDerWaalsContact ND1-NH1 3.19Å; H381-R569 PolarHBondContact NE2-NH1 2.97Å; T566-R569 PolarHBondContact O-N 2.96Å; K567-R569 PolarHBondContact O-N 3.4Å; R569-S571 PolarHBondContact O-N 3.35Å
570	A	35.2	Very low	50.6	Low	86 Å²	86	98.3 Å²	98.3	71%	0.711	50%	0.498	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-4.2	175.3	0	0	0	0	0	114.4
571	S	32.3	Very low	48.4	Very low	73 Å²	73	102 Å²	102	51%	0.51	51%	0.514	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.8	-4.8	-174.4	-32	0	0	0	0	116.2	R569 R1002	R569-S571 PolarHBondContact O-N 3.35Å; S571-R1002 PolarHBondContact OG-NH2 3.05Å
572	I	30.6	Very low	45.8	Very low	109 Å²	109	107.7 Å²	107.7	56%	0.559	54%	0.544	S	S	*	.	S	Bend	trans	-106.9	-16.1	-162.6	-61.7	173.3	0	0	0	114.5
573	C	24.8	Very low	43.4	Very low	85 Å²	85	108.3 Å²	108.3	57%	0.574	55%	0.549	S	S	*	.			trans	-108.6	79.6	-169.1	-76.1	0	0	0	0	114.7	I559	I559-C573 HydrophobicContact CD1-CB 3.6Å
574	Q	23.3	Very low	41.3	Very low	152 Å²	152	110.8 Å²	110.8	71%	0.71	56%	0.562	S	S	*	*			trans	-146.3	121.4	145.4	-72	-163.8	-10.7	0	0	109.9
575	P	25.6	Very low	39.9	Very low	114 Å²	114	112.6 Å²	112.6	74%	0.74	57%	0.569	S	S	*	*			trans	-85.6	115.3	166.9	29.3	-24.5	0	0	0	109.9
576	T	25.2	Very low	39.1	Very low	135 Å²	135	115.8 Å²	115.8	83%	0.828	58%	0.582	S	S	*	*			trans	-75.5	131.5	162.8	39.2	0	0	0	0	109.4
577	K	25.3	Very low	38.7	Very low	201 Å²	201	121.9 Å²	121.9	87%	0.874	60%	0.602	S	S	*	*			trans	-72.2	132.5	-179.4	-77.7	-179.8	173.3	-178.8	0	111.4
578	H	30.4	Very low	40	Very low	186 Å²	186	114.7 Å²	114.7	86%	0.861	57%	0.571	S	S	*	*			trans	26.7	117.8	156.5	-71.1	-44.9	0	0	0	120.5
579	E	28.4	Very low	41.4	Very low	179 Å²	179	109.8 Å²	109.8	84%	0.836	55%	0.552	S	S	*	*			trans	-130.5	142.7	143	-72	-172.8	156.2	0	0	109.9	E581	E579-E581 PolarHBondContact O-N 3.09Å
580	R	33.4	Very low	42.9	Very low	249 Å²	249	110.6 Å²	110.6	94%	0.94	56%	0.558	S	S	*	*			trans	-72.2	118.2	-168.7	-69.1	169.1	175.8	165.4	-2.7	111.1
581	E	39.6	Very low	45.1	Very low	84 Å²	84	113 Å²	113	39%	0.393	56%	0.555	S	S	.	*			trans	-73.4	124.6	-179	-65.4	174.4	-170.4	0	0	112.1	E579 C583 N653	E579-E581 PolarHBondContact O-N 3.09Å; E581-C583 PolarHBondContact O-N 3.26Å; E581-N653 PolarHBondContact OE2-ND2 3.43Å
582	L	34.7	Very low	47.6	Very low	123 Å²	123	110.6 Å²	110.6	64%	0.644	54%	0.536	S	S	*	.			trans	-76.7	114.4	163.3	-81.3	154.2	0	0	0	108.3	I584 Q987	L582-I584 PolarHBondContact O-N 2.99Å; L582-Q987 VanDerWaalsContact N-NE2 3.11Å; L582-Q987 PolarHBondContact O-NE2 2.69Å
583	C	40	Very low	50.3	Low	23 Å²	23	106.5 Å²	106.5	16%	0.155	52%	0.515	C	S	.	.			trans	-70.2	120.2	-177.2	-67.7	0	0	0	0	112.1	E581 F585 F649	E581-C583 PolarHBondContact O-N 3.26Å; C583-F585 HydrophobicContact CB-CD1 4.29Å; C583-F585 HydrophobicContact CB-CE1 4.22Å; C583-F649 HydrophobicContact CB-CB 4.19Å
584	I	47	Very low	53.4	Low	72 Å²	72	106.4 Å²	106.4	37%	0.369	51%	0.506	S	S	.	.			trans	-120.5	98.8	170.4	-55.1	176.9	0	0	0	109.1	L582 R656 R983	L582-I584 PolarHBondContact O-N 2.99Å; I584-R656 PolarHBondContact O-NH1 3.09Å; I584-R983 HydrophobicContact CD1-CB 4.29Å; I584-R983 VanDerWaalsContact CD1-O 3.32Å; I584-R983 WeakPolarHBondContact CD1-O 3.46Å
585	F	60	Low	56.6	Low	45 Å²	45	104.2 Å²	104.2	20%	0.197	50%	0.496	C	S	.	.			trans	-92.1	160.9	-179	30.7	-97.6	0	0	0	113.1	C583 R587 F649 V669 V671	C583-F585 HydrophobicContact CB-CD1 4.29Å; C583-F585 HydrophobicContact CB-CE1 4.22Å; F585-R587 PolarHBondContact O-N 3.24Å; F585-R587 VanDerWaalsContact O-N 3.13Å; F585-F649 HydrophobicContact CD1-CB 4.2Å; F585-F649 HydrophobicContact CD1-CD1 4Å; F585-F649 HydrophobicContact CD1-CG 4.18Å; F585-F649 HydrophobicContact CE1-CB 3.7Å; F585-F649 AromaticContact CE1-CD1 3.4Å; F585-F649 HydrophobicContact CE1-CD1 3.4Å; F585-F649 AromaticContact CE1-CD2 3.89Å; F585-F649 HydrophobicContact CE1-CD2 3.89Å; F585-F649 AromaticContact CE1-CE1 3.98Å; F585-F649 HydrophobicContact CE1-CE1 3.98Å; F585-F649 HydrophobicContact CE1-CE2 4.37Å; F585-F649 AromaticContact CE1-CG 3.37Å; F585-F649 HydrophobicContact CE1-CG 3.37Å; F585-F649 HydrophobicContact CE1-CZ 4.41Å; F585-F649 HydrophobicContact CE2-CE1 4.45Å; F585-F649 AromaticContact CZ-CD1 3.73Å; F585-F649 HydrophobicContact CZ-CD1 3.73Å; F585-F649 HydrophobicContact CZ-CD2 4.11Å; F585-F649 AromaticContact CZ-CE1 3.8Å; F585-F649 HydrophobicContact CZ-CE1 3.8Å; F585-F649 HydrophobicContact CZ-CE2 4.14Å; F585-F649 AromaticContact CZ-CG 3.92Å; F585-F649 HydrophobicContact CZ-CG 3.92Å; F585-F649 AromaticContact CZ-CZ 3.98Å; F585-F649 HydrophobicContact CZ-CZ 3.98Å; F585-V669 HydrophobicContact CB-CB 4.15Å; F585-V669 HydrophobicContact CB-CG2 3.79Å; F585-V669 HydrophobicContact CD1-CG2 4.32Å; F585-V669 HydrophobicContact CD2-CB 3.57Å; F585-V669 HydrophobicContact CD2-CG1 3.99Å; F585-V669 HydrophobicContact CD2-CG2 4.09Å; F585-V669 HydrophobicContact CE2-CB 4.16Å; F585-V669 HydrophobicContact CE2-CG1 4.07Å; F585-V669 HydrophobicContact CG-CB 3.81Å; F585-V669 HydrophobicContact CG-CG1 4.34Å; F585-V669 HydrophobicContact CG-CG2 3.77Å; F585-V669 HydrophobicContact CZ-CG1 4.48Å; F585-V671 HydrophobicContact CD2-CG2 4.3Å; F585-V671 HydrophobicContact CE2-CB 4.34Å; F585-V671 HydrophobicContact CE2-CG2 3.26Å; F585-V671 HydrophobicContact CZ-CG2 3.57Å
586	H	62.8	Low	59.7	Low	94 Å²	94	102.1 Å²	102.1	44%	0.435	48%	0.476	S	S	.	.			trans	-64.4	113.2	169.9	-179.7	65.7	0	0	0	108.6	I588 Y667 G668 V669	H586-I588 PolarHBondContact O-N 2.97Å; H586-Y667 PolarHBondContact CD2-O 3.42Å; H586-G668 WeakPolarHBondContact O-CA 3.11Å; H586-V669 PolarHBondContact O-N 3Å
587	R	68.3	Low	62.8	Low	157 Å²	157	101.2 Å²	101.2	59%	0.592	46%	0.463	S	S	*	.	B	Isolated β-bridge	trans	-83.3	115.3	-175.1	-171.8	178.5	-175.4	-177.3	2.8	109.4	F585 V669 V671	F585-R587 PolarHBondContact O-N 3.24Å; F585-R587 VanDerWaalsContact O-N 3.13Å; R587-V669 WeakPolarHBondContact CA-O 3.44Å; R587-V671 PolarHBondContact NH2-O 3.02Å
588	I	78.9	Confident	66	Low	8 Å²	8	96 Å²	96	4%	0.041	44%	0.441	C	S	.	.			trans	-91.1	122.8	174.8	-56.8	175.8	0	0	0	108.4	H586 D592 I593 L612 V669 C670 V680	H586-I588 PolarHBondContact O-N 2.97Å; I588-D592 HydrophobicContact CG2-CB 4.24Å; I588-I593 HydrophobicContact CB-CD1 4.07Å; I588-I593 HydrophobicContact CG2-CD1 3.57Å; I588-I593 HydrophobicContact CG2-CG1 3.59Å; I588-L612 HydrophobicContact CD1-CD1 4.28Å; I588-L612 HydrophobicContact CG2-CD1 3.64Å; I588-V669 PolarHBondContact N-O 3.48Å; I588-C670 PolarHBondContact O-SG 3.35Å; I588-V680 HydrophobicContact CD1-CB 3.79Å; I588-V680 HydrophobicContact CD1-CG1 4.18Å; I588-V680 HydrophobicContact CD1-CG2 3.81Å
589	P	77.1	Confident	68.7	Low	49 Å²	49	90.8 Å²	90.8	32%	0.318	42%	0.419	S	S	.	.			trans	-58.7	148.6	172	-21.7	33.3	0	0	0	111.6	E591 D592	P589-E591 VanDerWaalsContact C-N 3.3Å; P589-E591 HydrophobicContact CB-CG 3.88Å; P589-E591 PolarHBondContact O-N 3.08Å; P589-D592 VanDerWaalsContact CD-OD2 3.26Å; P589-D592 WeakPolarHBondContact CD-OD2 2.97Å; P589-D592 VanDerWaalsContact CG-OD2 3.27Å; P589-D592 WeakPolarHBondContact CG-OD2 3.21Å; P589-D592 PolarHBondContact O-N 3.4Å
590	K	79.1	Confident	71.5	Confident	99 Å²	99	83.3 Å²	83.3	43%	0.43	39%	0.39	S	S	.	.	G	3₁₀ helix	trans	-68.6	-33.8	179.6	-179.8	176.6	177.2	177.9	0	111.2	D592 I593 E675	K590-D592 PolarHBondContact O-N 3.47Å; K590-D592 VanDerWaalsContact O-N 3.14Å; K590-I593 PolarHBondContact O-N 3.32Å; K590-E675 IonicContact NZ-OE1 3.61Å; K590-E675 PolarHBondContact NZ-OE1 2.97Å; K590-E675 IonicContact NZ-OE2 3.51Å; K590-E675 PolarHBondContact NZ-OE2 3.26Å
591	E	81.1	Confident	74	Confident	137 Å²	137	75.5 Å²	75.5	64%	0.64	37%	0.37	S	S	*	.	G	3₁₀ helix	trans	-59.1	-22.1	176.9	56	-100.8	-139.4	0	0	113.7	P589	P589-E591 VanDerWaalsContact C-N 3.3Å; P589-E591 HydrophobicContact CB-CG 3.88Å; P589-E591 PolarHBondContact O-N 3.08Å
592	D	83.7	Confident	76.2	Confident	22 Å²	22	72.4 Å²	72.4	12%	0.118	36%	0.361	C	S	.	.	G	3₁₀ helix	trans	-88.7	-4.3	-179.5	-62	-20.2	0	0	0	112.2	I588 P589 K590 L612 R613	I588-D592 HydrophobicContact CG2-CB 4.24Å; P589-D592 VanDerWaalsContact CD-OD2 3.26Å; P589-D592 WeakPolarHBondContact CD-OD2 2.97Å; P589-D592 VanDerWaalsContact CG-OD2 3.27Å; P589-D592 WeakPolarHBondContact CG-OD2 3.21Å; P589-D592 PolarHBondContact O-N 3.4Å; K590-D592 PolarHBondContact O-N 3.47Å; K590-D592 VanDerWaalsContact O-N 3.14Å; D592-L612 HydrophobicContact CB-CD1 4.44Å; D592-L612 CarbonylContact O-C 3.49Å; D592-L612 WeakPolarHBondContact O-CA 3.39Å; D592-R613 PolarHBondContact O-N 3.18Å
593	I	88.5	Confident	78.6	Confident	22 Å²	22	68.7 Å²	68.7	11%	0.113	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	126.3	-176.6	-51.3	169.1	0	0	0	110.9	I588 K590 T611 L612 L634 C670 V680	I588-I593 HydrophobicContact CB-CD1 4.07Å; I588-I593 HydrophobicContact CG2-CD1 3.57Å; I588-I593 HydrophobicContact CG2-CG1 3.59Å; K590-I593 PolarHBondContact O-N 3.32Å; I593-T611 WeakPolarHBondContact CA-O 3.39Å; I593-L612 HydrophobicContact CG1-CD1 3.98Å; I593-L634 HydrophobicContact CG2-CD1 3.52Å; I593-L634 HydrophobicContact CG2-CD2 3.49Å; I593-L634 VanDerWaalsContact CG2-CD2 3.49Å; I593-L634 HydrophobicContact CG2-CG 4.15Å; I593-C670 HydrophobicContact CD1-CB 3.81Å; I593-V680 HydrophobicContact CD1-CG2 3.64Å
594	E	89.1	Confident	80.7	Confident	83 Å²	83	69.7 Å²	69.7	39%	0.388	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	125.6	169.8	-63.6	-167.6	155.8	0	0	110.5	G610 T611 R613	E594-G610 CarbonylContact O-C 3.47Å; E594-G610 WeakPolarHBondContact O-CA 3.45Å; E594-T611 PolarHBondContact N-O 2.86Å; E594-T611 PolarHBondContact O-N 2.89Å; E594-R613 IonicContact OE1-CZ 3.47Å; E594-R613 IonicContact OE1-NH1 2.88Å; E594-R613 PolarHBondContact OE1-NH1 3.28Å; E594-R613 IonicContact OE1-NH2 2.77Å; E594-R613 PolarHBondContact OE1-NH2 2.78Å; E594-R613 IonicContact OE2-CZ 3.94Å; E594-R613 IonicContact OE2-NH2 3.06Å; E594-R613 PolarHBondContact OE2-NH2 2.87Å
595	Q	90.3	Very high	82.7	Confident	106 Å²	106	66.5 Å²	66.5	50%	0.495	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	130.8	177.3	-173.7	-172.4	-43.2	0	0	110	Y608 L634	Q595-Y608 HydrophobicContact CG-CD1 4.03Å; Q595-Y608 HydrophobicContact CG-CD2 4.38Å; Q595-Y608 HydrophobicContact CG-CG 3.82Å; Q595-Y608 VanDerWaalsContact NE2-CZ 3.34Å; Q595-L634 HydrophobicContact CB-CD1 3.87Å; Q595-L634 HydrophobicContact CG-CD1 4.09Å
596	E	91.2	Very high	84.1	Confident	70 Å²	70	66.4 Å²	66.4	33%	0.327	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	-133	-176.7	-59.8	177	-166	0	0	110.9	L609 T611 K631	E596-L609 WeakPolarHBondContact CA-O 3.36Å; E596-L609 HydrophobicContact CB-CB 4.21Å; E596-L609 HydrophobicContact CB-CG 4.37Å; E596-L609 WeakPolarHBondContact CB-O 3.3Å; E596-L609 PolarHBondContact N-O 2.8Å; E596-L609 WeakPolarHBondContact OE2-CD2 3.37Å; E596-T611 PolarHBondContact OE1-OG1 3.47Å; E596-K631 IonicContact OE1-NZ 3.53Å; E596-K631 PolarHBondContact OE1-NZ 2.86Å; E596-K631 IonicContact OE2-NZ 2.82Å; E596-K631 PolarHBondContact OE2-NZ 3.4Å
597	E	90.7	Very high	85.5	Confident	117 Å²	117	63.5 Å²	63.5	55%	0.547	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	153	-175.4	62.5	176	-171.1	0	0	113.8	L599 Y608 L609	E597-L599 HydrophobicContact CG-CD2 4.13Å; E597-Y608 CarbonylContact O-C 3.54Å; E597-Y608 VanDerWaalsContact O-CA 3.25Å; E597-Y608 WeakPolarHBondContact O-CA 3.47Å; E597-L609 HydrophobicContact CG-CB 3.68Å; E597-L609 HydrophobicContact CG-CD2 3.89Å; E597-L609 HydrophobicContact CG-CG 4.44Å; E597-L609 PolarHBondContact O-N 2.88Å
598	H	92.4	Very high	86.6	Confident	91 Å²	91	57.8 Å²	57.8	42%	0.421	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	114.2	177	-179.8	-87	0	0	0	110.6	G600 Y608	H598-G600 VanDerWaalsContact CE1-C 3.4Å; H598-G600 PolarHBondContact CE1-O 2.83Å; H598-G600 PolarHBondContact NE2-O 3.48Å; H598-Y608 HydrophobicContact CB-CD1 3.86Å; H598-Y608 HydrophobicContact CB-CE1 3.79Å; H598-Y608 AromaticContact CD2-CD1 3.99Å; H598-Y608 AromaticContact CD2-CE1 3.47Å; H598-Y608 VanDerWaalsContact CD2-CE1 3.47Å; H598-Y608 WeakPolarHBondContact CD2-CE1 3.25Å; H598-Y608 AromaticContact CD2-CZ 3.64Å
599	L	87.4	Confident	87.3	Confident	76 Å²	76	58.1 Å²	58.1	40%	0.398	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	-27	-176.4	-62.1	176.8	0	0	0	112.8	E597 I607 L609 V633 Y683	E597-L599 HydrophobicContact CG-CD2 4.13Å; L599-I607 HydrophobicContact CB-CG2 4.3Å; L599-I607 PolarHBondContact N-O 3.22Å; L599-L609 HydrophobicContact CD1-CB 4.01Å; L599-L609 HydrophobicContact CD2-CB 4.22Å; L599-L609 HydrophobicContact CG-CB 4.12Å; L599-V633 HydrophobicContact CD1-CG2 4.26Å; L599-Y683 HydrophobicContact CD1-CE2 4.36Å
600	G	86.5	Confident	88	Confident	22 Å²	22	55.8 Å²	55.8	23%	0.227	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	161.7	-176.2	178.9	0	0	0	0	0	114.9	H598 I607	H598-G600 VanDerWaalsContact CE1-C 3.4Å; H598-G600 PolarHBondContact CE1-O 2.83Å; H598-G600 PolarHBondContact NE2-O 3.48Å; G600-I607 PolarHBondContact N-O 3.31Å; G600-I607 WeakPolarHBondContact O-CB 3.28Å; G600-I607 PolarHBondContact O-N 3.03Å
601	V	86.4	Confident	88.5	Confident	86 Å²	86	51.4 Å²	51.4	52%	0.521	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	130.2	-177.3	-171.7	0	0	0	0	110.1	K732	V601-K732 PolarHBondContact O-NZ 3.47Å
602	G	84.3	Confident	88.7	Confident	19 Å²	19	45.4 Å²	45.4	20%	0.196	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	179.9	168.8	0	0	0	0	0	111.3	K604 T605	G602-K604 PolarHBondContact O-N 2.87Å; G602-T605 WeakPolarHBondContact CA-OG1 3.49Å; G602-T605 PolarHBondContact N-O 3.15Å; G602-T605 PolarHBondContact O-N 3.47Å
603	T	85	Confident	88.7	Confident	44 Å²	44	47.7 Å²	47.7	27%	0.27	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.1	110.9	174.9	-53	0	0	0	0	109.2	T605 I757 L762 R770	T603-T605 PolarHBondContact O-N 3.24Å; T603-T605 VanDerWaalsContact O-N 3.1Å; T603-I757 WeakPolarHBondContact O-CG1 3.22Å; T603-L762 HydrophobicContact CG2-CD2 3.73Å; T603-R770 VanDerWaalsContact CB-NH2 3.25Å; T603-R770 PolarHBondContact OG1-NH2 2.89Å
604	K	85.1	Confident	87.7	Confident	44 Å²	44	48 Å²	48	19%	0.191	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.5	10.7	-177.7	-56.5	177.9	-176.1	176.6	0	114.8	G602 G638 H641 I644 E766	G602-K604 PolarHBondContact O-N 2.87Å; K604-G638 PolarHBondContact O-N 2.86Å; K604-H641 HydrophobicContact CD-CB 4.48Å; K604-I644 HydrophobicContact CB-CD1 4.2Å; K604-I644 HydrophobicContact CD-CD1 3.28Å; K604-I644 HydrophobicContact CG-CD1 4.36Å; K604-E766 WeakPolarHBondContact CE-OE1 3.46Å; K604-E766 IonicContact NZ-OE1 2.6Å; K604-E766 IonicContact NZ-OE2 3.94Å
605	T	88.6	Confident	86.3	Confident	5 Å²	5	50 Å²	50	3%	0.031	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	147.7	-178.8	57.7	0	0	0	0	111.2	G602 T603 V636 L637 F648 I757	G602-T605 WeakPolarHBondContact CA-OG1 3.49Å; G602-T605 PolarHBondContact N-O 3.15Å; G602-T605 PolarHBondContact O-N 3.47Å; T603-T605 PolarHBondContact O-N 3.24Å; T603-T605 VanDerWaalsContact O-N 3.1Å; T605-V636 CarbonylContact C-O 3.56Å; T605-V636 VanDerWaalsContact CA-O 3.29Å; T605-V636 WeakPolarHBondContact CA-O 3.43Å; T605-L637 HydrophobicContact CG2-CD1 4.09Å; T605-F648 HydrophobicContact CG2-CD2 4.24Å; T605-F648 HydrophobicContact CG2-CE2 3.77Å; T605-I757 HydrophobicContact CG2-CG1 4.44Å
606	N	90.3	Very high	84.4	Confident	44 Å²	44	46.5 Å²	46.5	24%	0.235	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	135.1	170.6	-64	-86.3	0	0	0	108.2	Y608 V636	N606-Y608 HydrophobicContact CB-CD2 4.37Å; N606-Y608 HydrophobicContact CB-CE2 3.51Å; N606-V636 PolarHBondContact N-O 2.83Å; N606-V636 PolarHBondContact O-N 3.2Å
607	I	91.5	Very high	82.2	Confident	32 Å²	32	49.7 Å²	49.7	16%	0.164	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	122.8	-172.6	-50.1	179.9	0	0	0	107.7	L599 G600 V633 K635	L599-I607 HydrophobicContact CB-CG2 4.3Å; L599-I607 PolarHBondContact N-O 3.22Å; G600-I607 PolarHBondContact N-O 3.31Å; G600-I607 WeakPolarHBondContact O-CB 3.28Å; G600-I607 PolarHBondContact O-N 3.03Å; I607-V633 HydrophobicContact CG2-CG1 3.42Å; I607-V633 VanDerWaalsContact CG2-CG1 3.42Å; I607-K635 HydrophobicContact CG1-CG 4.21Å; I607-K635 HydrophobicContact CG2-CG 4.32Å
608	Y	92.6	Very high	80	Confident	38 Å²	38	49.7 Å²	49.7	15%	0.149	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	151.4	179	-59.3	-93.6	0	0	0	110.7	Q595 E597 H598 N606 V633 L634 V636	Q595-Y608 HydrophobicContact CG-CD1 4.03Å; Q595-Y608 HydrophobicContact CG-CD2 4.38Å; Q595-Y608 HydrophobicContact CG-CG 3.82Å; Q595-Y608 VanDerWaalsContact NE2-CZ 3.34Å; E597-Y608 CarbonylContact O-C 3.54Å; E597-Y608 VanDerWaalsContact O-CA 3.25Å; E597-Y608 WeakPolarHBondContact O-CA 3.47Å; H598-Y608 HydrophobicContact CB-CD1 3.86Å; H598-Y608 HydrophobicContact CB-CE1 3.79Å; H598-Y608 AromaticContact CD2-CD1 3.99Å; H598-Y608 AromaticContact CD2-CE1 3.47Å; H598-Y608 VanDerWaalsContact CD2-CE1 3.47Å; H598-Y608 WeakPolarHBondContact CD2-CE1 3.25Å; H598-Y608 AromaticContact CD2-CZ 3.64Å; N606-Y608 HydrophobicContact CB-CD2 4.37Å; N606-Y608 HydrophobicContact CB-CE2 3.51Å; Y608-V633 WeakPolarHBondContact O-CA 3.48Å; Y608-L634 PolarHBondContact N-O 2.81Å; Y608-L634 PolarHBondContact O-N 3.33Å; Y608-V636 HydrophobicContact CD2-CB 4.35Å; Y608-V636 HydrophobicContact CD2-CG2 3.68Å; Y608-V636 HydrophobicContact CE2-CB 4.16Å; Y608-V636 HydrophobicContact CE2-CG2 3.89Å
609	L	92.2	Very high	77.5	Confident	14 Å²	14	48.2 Å²	48.2	7%	0.073	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	147.9	158.8	-175.1	61.7	0	0	0	107.9	E596 E597 L599 K631 Y683	E596-L609 WeakPolarHBondContact CA-O 3.36Å; E596-L609 HydrophobicContact CB-CB 4.21Å; E596-L609 HydrophobicContact CB-CG 4.37Å; E596-L609 WeakPolarHBondContact CB-O 3.3Å; E596-L609 PolarHBondContact N-O 2.8Å; E596-L609 WeakPolarHBondContact OE2-CD2 3.37Å; E597-L609 HydrophobicContact CG-CB 3.68Å; E597-L609 HydrophobicContact CG-CD2 3.89Å; E597-L609 HydrophobicContact CG-CG 4.44Å; E597-L609 PolarHBondContact O-N 2.88Å; L599-L609 HydrophobicContact CD1-CB 4.01Å; L599-L609 HydrophobicContact CD2-CB 4.22Å; L599-L609 HydrophobicContact CG-CB 4.12Å; L609-K631 HydrophobicContact CD1-CD 4.41Å; L609-Y683 HydrophobicContact CD1-CD2 3.36Å; L609-Y683 HydrophobicContact CD1-CE2 3.52Å; L609-Y683 HydrophobicContact CD1-CG 3.91Å
610	G	91.7	Very high	75.2	Confident	0 Å²	0	51.8 Å²	51.8	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	173.3	171.9	0	0	0	0	0	112.7	E594 K631 V632	E594-G610 CarbonylContact O-C 3.47Å; E594-G610 WeakPolarHBondContact O-CA 3.45Å; G610-K631 WeakPolarHBondContact O-CA 3.48Å; G610-V632 PolarHBondContact N-O 3.23Å; G610-V632 WeakPolarHBondContact O-CG2 3.43Å; G610-V632 PolarHBondContact O-N 3.32Å
611	T	89.5	Confident	73	Confident	7 Å²	7	59 Å²	59	4%	0.043	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	128.4	172.6	-66.5	0	0	0	0	108.8	I593 E594 E596 E629 V630 K631	I593-T611 WeakPolarHBondContact CA-O 3.39Å; E594-T611 PolarHBondContact N-O 2.86Å; E594-T611 PolarHBondContact O-N 2.89Å; E596-T611 PolarHBondContact OE1-OG1 3.47Å; T611-E629 HydrophobicContact CG2-CB 3.69Å; T611-E629 HydrophobicContact CG2-CG 3.95Å; T611-V630 WeakPolarHBondContact CA-O 3.39Å; T611-K631 PolarHBondContact OG1-NZ 3.03Å
612	L	86.3	Confident	71	Confident	11 Å²	11	58.2 Å²	58.2	6%	0.058	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	120.8	173.3	178.5	68.1	0	0	0	108.6	I588 D592 I593 V614 V630 V632 Y667 V680	I588-L612 HydrophobicContact CD1-CD1 4.28Å; I588-L612 HydrophobicContact CG2-CD1 3.64Å; D592-L612 HydrophobicContact CB-CD1 4.44Å; D592-L612 CarbonylContact O-C 3.49Å; D592-L612 WeakPolarHBondContact O-CA 3.39Å; I593-L612 HydrophobicContact CG1-CD1 3.98Å; L612-V614 HydrophobicContact CD2-CG2 4.27Å; L612-V614 HydrophobicContact CG-CG2 4.23Å; L612-V630 PolarHBondContact N-O 2.87Å; L612-V630 PolarHBondContact O-N 2.91Å; L612-V632 HydrophobicContact CB-CG1 3.72Å; L612-V632 HydrophobicContact CB-CG2 4Å; L612-V632 HydrophobicContact CD2-CG1 4.29Å; L612-Y667 HydrophobicContact CD2-CD1 3.96Å; L612-Y667 HydrophobicContact CD2-CG 4Å; L612-V680 HydrophobicContact CD2-CG1 4.49Å
613	R	82.8	Confident	69	Low	71 Å²	71	60.6 Å²	60.6	27%	0.268	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	112.9	172.6	-69.9	-177	175.3	140	5.6	109.4	D592 E594 F627 E629	D592-R613 PolarHBondContact O-N 3.18Å; E594-R613 IonicContact OE1-CZ 3.47Å; E594-R613 IonicContact OE1-NH1 2.88Å; E594-R613 PolarHBondContact OE1-NH1 3.28Å; E594-R613 IonicContact OE1-NH2 2.77Å; E594-R613 PolarHBondContact OE1-NH2 2.78Å; E594-R613 IonicContact OE2-CZ 3.94Å; E594-R613 IonicContact OE2-NH2 3.06Å; E594-R613 PolarHBondContact OE2-NH2 2.87Å; R613-F627 HydrophobicContact CB-CB 4.41Å; R613-F627 HydrophobicContact CB-CD1 4.02Å; R613-E629 HydrophobicContact CG-CG 4.26Å; R613-E629 IonicContact NE-OE1 2.65Å; R613-E629 IonicContact NH2-OE1 2.96Å
614	V	68.6	Low	67.1	Low	29 Å²	29	67.5 Å²	67.5	18%	0.176	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	122.4	173.4	-174.2	0	0	0	0	108.1	L612 N616 Q628 V630	L612-V614 HydrophobicContact CD2-CG2 4.27Å; L612-V614 HydrophobicContact CG-CG2 4.23Å; V614-N616 PolarHBondContact O-N 3.19Å; V614-Q628 PolarHBondContact N-O 3.46Å; V614-Q628 PolarHBondContact O-N 3.41Å; V614-V630 HydrophobicContact CG2-CG2 4.35Å
615	K	59.1	Low	65	Low	123 Å²	123	69.6 Å²	69.6	54%	0.535	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	126.3	176.7	-70.6	179.1	-177.3	178.7	0	110	F627	K615-F627 HydrophobicContact CD-CE1 4.42Å; K615-F627 HydrophobicContact CG-CD1 3.99Å; K615-F627 HydrophobicContact CG-CE1 3.6Å
616	N	50.3	Low	63.1	Low	34 Å²	34	71.4 Å²	71.4	18%	0.182	38%	0.375	C	S	.	.			trans	-91.6	112.5	166	-76.2	-30.1	0	0	0	108.6	V614 E618 S626	V614-N616 PolarHBondContact O-N 3.19Å; N616-E618 PolarHBondContact O-N 3.46Å; N616-S626 PolarHBondContact N-O 2.97Å
617	E	44.4	Very low	61.5	Low	136 Å²	136	73.7 Å²	73.7	64%	0.636	38%	0.383	S	S	*	.	G	3₁₀ helix	trans	-74.4	-3	177.8	-66.2	-174.6	172	0	0	113.3	D619	E617-D619 VanDerWaalsContact C-N 3.33Å; E617-D619 PolarHBondContact O-N 2.98Å
618	E	44.5	Very low	60.4	Low	117 Å²	117	75.1 Å²	75.1	55%	0.547	39%	0.389	S	S	.	.	G	3₁₀ helix	trans	-74.6	-15.8	-177	-81	157.1	-138.7	0	0	114.5	N616 K890 K901	N616-E618 PolarHBondContact O-N 3.46Å; E618-K890 IonicContact OE1-NZ 2.73Å; E618-K890 PolarHBondContact OE1-NZ 3.46Å; E618-K901 IonicContact OE1-NZ 2.66Å; E618-K901 PolarHBondContact OE1-NZ 3.46Å
619	D	41.4	Very low	59.8	Low	61 Å²	61	79 Å²	79	33%	0.326	41%	0.409	S	S	.	.	G	3₁₀ helix	trans	-107.9	5.7	-177.9	-68.1	-42.5	0	0	0	114.4	E617 D621 A622 Y624 S626	E617-D619 VanDerWaalsContact C-N 3.33Å; E617-D619 PolarHBondContact O-N 2.98Å; D619-D621 PolarHBondContact O-N 3.09Å; D619-A622 PolarHBondContact O-N 3.07Å; D619-Y624 WeakPolarHBondContact CB-O 3.43Å; D619-S626 VanDerWaalsContact OD2-CB 3.23Å; D619-S626 WeakPolarHBondContact OD2-CB 3.46Å; D619-S626 PolarHBondContact OD2-OG 2.86Å
620	E	38.4	Very low	59.3	Low	151 Å²	151	79.6 Å²	79.6	71%	0.706	41%	0.413	S	S	*	.	G	3₁₀ helix	trans	-62.4	-27.3	176.7	-78.9	-160.3	161.6	0	0	112.5	A622	E620-A622 VanDerWaalsContact C-N 3.27Å; E620-A622 PolarHBondContact O-N 2.88Å
621	D	41	Very low	59.1	Low	174 Å²	174	83.2 Å²	83.2	93%	0.93	43%	0.429	S	S	*	.	G	3₁₀ helix	trans	-74.9	-11.2	175.6	-91.9	-19.2	0	0	0	114	D619	D619-D621 PolarHBondContact O-N 3.09Å
622	A	44.2	Very low	59.2	Low	69 Å²	69	82.9 Å²	82.9	57%	0.57	43%	0.427	S	S	*	.	G	3₁₀ helix	trans	-109.8	-0.3	-178.5	0	0	0	0	0	114.4	D619 E620 Y624	D619-A622 PolarHBondContact O-N 3.07Å; E620-A622 VanDerWaalsContact C-N 3.27Å; E620-A622 PolarHBondContact O-N 2.88Å; A622-Y624 VanDerWaalsContact C-N 3.31Å; A622-Y624 PolarHBondContact O-N 3.01Å
623	G	41.5	Very low	59.5	Low	69 Å²	69	83 Å²	83	71%	0.711	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	74	14	177.2	0	0	0	0	0	115.5
624	Y	45.8	Very low	60	Low	189 Å²	189	79.6 Å²	79.6	74%	0.741	42%	0.415	S	S	*	.			trans	-124.8	114.1	173.3	-81.7	-87.2	0	0	0	110	D619 A622 S626	D619-Y624 WeakPolarHBondContact CB-O 3.43Å; A622-Y624 VanDerWaalsContact C-N 3.31Å; A622-Y624 PolarHBondContact O-N 3.01Å; Y624-S626 PolarHBondContact O-N 2.89Å; Y624-S626 VanDerWaalsContact O-N 3.16Å
625	T	40.7	Very low	61.1	Low	88 Å²	88	78.9 Å²	78.9	54%	0.54	41%	0.41	S	S	.	.			trans	-76.9	101.4	173.9	-31	0	0	0	0	109.2	F627	T625-F627 HydrophobicContact CG2-CE2 3.92Å; T625-F627 HydrophobicContact CG2-CZ 3.85Å
626	S	49.3	Very low	62.6	Low	42 Å²	42	73.1 Å²	73.1	29%	0.294	39%	0.385	S	S	.	.			trans	-83.9	131.2	172.1	76.3	0	0	0	0	110.3	N616 D619 Y624	N616-S626 PolarHBondContact N-O 2.97Å; D619-S626 VanDerWaalsContact OD2-CB 3.23Å; D619-S626 WeakPolarHBondContact OD2-CB 3.46Å; D619-S626 PolarHBondContact OD2-OG 2.86Å; Y624-S626 PolarHBondContact O-N 2.89Å; Y624-S626 VanDerWaalsContact O-N 3.16Å
627	F	56.8	Low	64.4	Low	92 Å²	92	71.7 Å²	71.7	40%	0.404	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	132.1	177.2	-65.3	-91.8	0	0	0	109.2	R613 K615 T625	R613-F627 HydrophobicContact CB-CB 4.41Å; R613-F627 HydrophobicContact CB-CD1 4.02Å; K615-F627 HydrophobicContact CD-CE1 4.42Å; K615-F627 HydrophobicContact CG-CD1 3.99Å; K615-F627 HydrophobicContact CG-CE1 3.6Å; T625-F627 HydrophobicContact CG2-CE2 3.92Å; T625-F627 HydrophobicContact CG2-CZ 3.85Å
628	Q	67.5	Low	66.2	Low	62 Å²	62	65.9 Å²	65.9	29%	0.29	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	118.2	168.2	-172.6	-179.3	-5	0	0	108.8	V614 V630 K890	V614-Q628 PolarHBondContact N-O 3.46Å; V614-Q628 PolarHBondContact O-N 3.41Å; Q628-V630 HydrophobicContact CG-CG2 4.47Å; Q628-K890 PolarHBondContact NE2-O 3.11Å
629	E	79.1	Confident	67.4	Low	120 Å²	120	64.5 Å²	64.5	56%	0.561	36%	0.357	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.2	121.9	178.7	-69.6	-171.6	162.2	0	0	111	T611 R613	T611-E629 HydrophobicContact CG2-CB 3.69Å; T611-E629 HydrophobicContact CG2-CG 3.95Å; R613-E629 HydrophobicContact CG-CG 4.26Å; R613-E629 IonicContact NE-OE1 2.65Å; R613-E629 IonicContact NH2-OE1 2.96Å
630	V	82.4	Confident	68.5	Low	26 Å²	26	64.6 Å²	64.6	16%	0.158	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	127	179.8	-176.8	0	0	0	0	109.5	T611 L612 V614 Q628 V632	T611-V630 WeakPolarHBondContact CA-O 3.39Å; L612-V630 PolarHBondContact N-O 2.87Å; L612-V630 PolarHBondContact O-N 2.91Å; V614-V630 HydrophobicContact CG2-CG2 4.35Å; Q628-V630 HydrophobicContact CG-CG2 4.47Å; V630-V632 HydrophobicContact CG1-CG1 4.39Å; V630-V632 PolarHBondContact O-N 3.48Å
631	K	87.5	Confident	70.2	Confident	76 Å²	76	60.5 Å²	60.5	33%	0.33	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	129.6	172.6	-70.8	-67.3	-175.8	-175.3	0	110.7	E596 L609 G610 T611 Y683	E596-K631 IonicContact OE1-NZ 3.53Å; E596-K631 PolarHBondContact OE1-NZ 2.86Å; E596-K631 IonicContact OE2-NZ 2.82Å; E596-K631 PolarHBondContact OE2-NZ 3.4Å; L609-K631 HydrophobicContact CD1-CD 4.41Å; G610-K631 WeakPolarHBondContact O-CA 3.48Å; T611-K631 PolarHBondContact OG1-NZ 3.03Å; K631-Y683 HydrophobicContact CB-CD1 4.32Å; K631-Y683 HydrophobicContact CB-CG 4.44Å; K631-Y683 WeakPolarHBondContact O-CB 3.34Å
632	V	91.6	Very high	71.3	Confident	0 Å²	0	58.6 Å²	58.6	0%	0	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	162.6	-175.4	-67.2	0	0	0	0	111.1	G610 L612 V630 L634 Y667 V680 E681	G610-V632 PolarHBondContact N-O 3.23Å; G610-V632 WeakPolarHBondContact O-CG2 3.43Å; G610-V632 PolarHBondContact O-N 3.32Å; L612-V632 HydrophobicContact CB-CG1 3.72Å; L612-V632 HydrophobicContact CB-CG2 4Å; L612-V632 HydrophobicContact CD2-CG1 4.29Å; V630-V632 HydrophobicContact CG1-CG1 4.39Å; V630-V632 PolarHBondContact O-N 3.48Å; V632-L634 HydrophobicContact CG2-CD2 3.8Å; V632-L634 HydrophobicContact CG2-CG 4.45Å; V632-Y667 HydrophobicContact CG1-CD2 3.86Å; V632-Y667 HydrophobicContact CG1-CE2 3.75Å; V632-V680 HydrophobicContact CB-CG1 3.76Å; V632-V680 HydrophobicContact CG1-CG1 3.9Å; V632-V680 HydrophobicContact CG2-CG1 3.83Å; V632-E681 CarbonylContact C-O 3.57Å; V632-E681 VanDerWaalsContact CA-O 3.29Å; V632-E681 WeakPolarHBondContact CA-O 3.4Å; V632-E681 WeakPolarHBondContact CB-O 3.35Å
633	V	93.4	Very high	72.4	Confident	13 Å²	13	61.4 Å²	61.4	8%	0.079	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	129	168.6	172.3	0	0	0	0	108.6	L599 I607 Y608 K635 V680 E681 Y683	L599-V633 HydrophobicContact CD1-CG2 4.26Å; I607-V633 HydrophobicContact CG2-CG1 3.42Å; I607-V633 VanDerWaalsContact CG2-CG1 3.42Å; Y608-V633 WeakPolarHBondContact O-CA 3.48Å; V633-K635 HydrophobicContact CG1-CG 4.23Å; V633-V680 WeakPolarHBondContact O-CA 3.33Å; V633-E681 HydrophobicContact CB-CB 4.26Å; V633-E681 PolarHBondContact N-O 3.47Å; V633-E681 PolarHBondContact O-N 3.24Å; V633-Y683 HydrophobicContact CG2-CD2 3.81Å
634	L	92.4	Very high	74.1	Confident	1 Å²	1	58.6 Å²	58.6	1%	0.005	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	103.7	177.8	-52.4	-179.7	0	0	0	108.9	I593 Q595 Y608 V632 V636 I678 V680	I593-L634 HydrophobicContact CG2-CD1 3.52Å; I593-L634 HydrophobicContact CG2-CD2 3.49Å; I593-L634 VanDerWaalsContact CG2-CD2 3.49Å; I593-L634 HydrophobicContact CG2-CG 4.15Å; Q595-L634 HydrophobicContact CB-CD1 3.87Å; Q595-L634 HydrophobicContact CG-CD1 4.09Å; Y608-L634 PolarHBondContact N-O 2.81Å; Y608-L634 PolarHBondContact O-N 3.33Å; V632-L634 HydrophobicContact CG2-CD2 3.8Å; V632-L634 HydrophobicContact CG2-CG 4.45Å; L634-V636 HydrophobicContact CB-CG2 4.47Å; L634-I678 HydrophobicContact CB-CG2 3.95Å; L634-I678 HydrophobicContact CD2-CG2 4.29Å; L634-V680 HydrophobicContact CD2-CB 4.38Å; L634-V680 HydrophobicContact CD2-CG1 4.01Å; L634-V680 HydrophobicContact CD2-CG2 3.91Å
635	K	91.9	Very high	75.5	Confident	13 Å²	13	50.3 Å²	50.3	6%	0.057	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	110	171.1	-67.1	-163.8	-173.1	176	0	109.1	I607 V633 F648 I678 M679 E681 S753 D754	I607-K635 HydrophobicContact CG1-CG 4.21Å; I607-K635 HydrophobicContact CG2-CG 4.32Å; V633-K635 HydrophobicContact CG1-CG 4.23Å; K635-F648 WeakPolarHBondContact O-CZ 3.29Å; K635-I678 WeakPolarHBondContact O-CA 3.37Å; K635-M679 HydrophobicContact CB-CB 4.34Å; K635-M679 PolarHBondContact N-O 3.2Å; K635-M679 PolarHBondContact O-N 3.26Å; K635-E681 VanDerWaalsContact CD-OE1 3.29Å; K635-E681 WeakPolarHBondContact CD-OE1 3.46Å; K635-E681 WeakPolarHBondContact CE-OE1 3.22Å; K635-E681 VanDerWaalsContact CE-OE2 3.28Å; K635-E681 WeakPolarHBondContact CE-OE2 3.42Å; K635-E681 IonicContact NZ-OE1 3.58Å; K635-E681 IonicContact NZ-OE2 2.77Å; K635-S753 PolarHBondContact NZ-OG 3.06Å; K635-S753 VanDerWaalsContact NZ-OG 3.14Å; K635-D754 WeakPolarHBondContact CE-OD2 3.26Å; K635-D754 IonicContact NZ-OD1 3.47Å; K635-D754 PolarHBondContact NZ-OD1 3.36Å; K635-D754 IonicContact NZ-OD2 3.15Å; K635-D754 PolarHBondContact NZ-OD2 2.93Å
636	V	90.6	Very high	76.9	Confident	3 Å²	3	51 Å²	51	2%	0.018	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	120.4	-173.5	-176	0	0	0	0	109.9	T605 N606 Y608 L634 K676 I678	T605-V636 CarbonylContact C-O 3.56Å; T605-V636 VanDerWaalsContact CA-O 3.29Å; T605-V636 WeakPolarHBondContact CA-O 3.43Å; N606-V636 PolarHBondContact N-O 2.83Å; N606-V636 PolarHBondContact O-N 3.2Å; Y608-V636 HydrophobicContact CD2-CB 4.35Å; Y608-V636 HydrophobicContact CD2-CG2 3.68Å; Y608-V636 HydrophobicContact CE2-CB 4.16Å; Y608-V636 HydrophobicContact CE2-CG2 3.89Å; L634-V636 HydrophobicContact CB-CG2 4.47Å; V636-K676 HydrophobicContact CG1-CB 3.55Å; V636-K676 HydrophobicContact CG1-CD 3.36Å; V636-K676 HydrophobicContact CG1-CG 4.07Å; V636-I678 HydrophobicContact CG1-CG1 4.33Å; V636-I678 HydrophobicContact CG2-CD1 4.27Å; V636-I678 HydrophobicContact CG2-CG1 4.09Å; V636-I678 HydrophobicContact CG2-CG2 4.15Å
637	L	87.6	Confident	78.3	Confident	3 Å²	3	49 Å²	49	2%	0.016	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	134.7	175.4	-171.2	64.5	0	0	0	111	T605 I644 S645 F648 K676 D677 I757	T605-L637 HydrophobicContact CG2-CD1 4.09Å; L637-I644 HydrophobicContact CD1-CD1 4.36Å; L637-S645 WeakPolarHBondContact CD2-OG 3.28Å; L637-F648 HydrophobicContact CB-CD1 4.38Å; L637-F648 HydrophobicContact CB-CE1 4.27Å; L637-F648 HydrophobicContact CB-CZ 4.37Å; L637-F648 HydrophobicContact CD1-CD2 4.24Å; L637-F648 HydrophobicContact CD1-CG 4.38Å; L637-F648 HydrophobicContact CD2-CB 4.19Å; L637-F648 HydrophobicContact CD2-CD1 4.32Å; L637-F648 HydrophobicContact CD2-CG 4.25Å; L637-K676 WeakPolarHBondContact O-CB 3.23Å; L637-D677 HydrophobicContact CB-CB 4.25Å; L637-D677 HydrophobicContact CD2-CB 4.46Å; L637-D677 PolarHBondContact N-O 2.77Å; L637-I757 HydrophobicContact CD1-CD1 3.92Å
638	G	82.4	Confident	79.5	Confident	14 Å²	14	44.7 Å²	44.7	14%	0.144	24%	0.244	C	C	.	.	P	Polyproline II helix	trans	-61.2	139.2	178.2	0	0	0	0	0	112.6	K604 G640 H641	K604-G638 PolarHBondContact O-N 2.86Å; G638-G640 PolarHBondContact O-N 3Å; G638-G640 VanDerWaalsContact O-N 3.11Å; G638-H641 PolarHBondContact O-N 2.94Å; G638-H641 VanDerWaalsContact O-N 3.09Å
639	S	70.3	Confident	80	Confident	88 Å²	88	42.8 Å²	42.8	62%	0.615	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-19	-176.6	50	0	0	0	0	114.6	H641	S639-H641 VanDerWaalsContact C-N 3.33Å
640	G	65.2	Low	79.9	Confident	64 Å²	64	41.2 Å²	41.2	66%	0.66	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.3	2.3	176	0	0	0	0	0	115.2	G638	G638-G640 PolarHBondContact O-N 3Å; G638-G640 VanDerWaalsContact O-N 3.11Å
641	H	73.3	Confident	79.9	Confident	64 Å²	64	40.2 Å²	40.2	30%	0.296	22%	0.222	S	C	.	.			trans	-126.9	36.9	-170.1	-63.2	-54	0	0	0	113.3	K604 G638 S639 D643 I644	K604-H641 HydrophobicContact CD-CB 4.48Å; G638-H641 PolarHBondContact O-N 2.94Å; G638-H641 VanDerWaalsContact O-N 3.09Å; S639-H641 VanDerWaalsContact C-N 3.33Å; H641-D643 VanDerWaalsContact CA-OD1 3.25Å; H641-D643 WeakPolarHBondContact CA-OD1 3.17Å; H641-D643 PolarHBondContact O-N 3.31Å; H641-I644 HydrophobicContact CB-CD1 3.91Å; H641-I644 HydrophobicContact CB-CG1 3.83Å; H641-I644 WeakPolarHBondContact O-CG1 3.41Å; H641-I644 PolarHBondContact O-N 3.17Å
642	R	64.8	Low	79.7	Confident	134 Å²	134	36.7 Å²	36.7	51%	0.506	21%	0.206	S	C	.	.	G	3₁₀ helix	trans	-67	-22.4	178.5	-72.6	-170.3	176.6	-178.8	-0.2	113.7	I644 S645 Q674 E675	R642-I644 PolarHBondContact O-N 3.42Å; R642-S645 WeakPolarHBondContact O-CB 3.32Å; R642-S645 PolarHBondContact O-N 3.38Å; R642-S645 PolarHBondContact O-OG 2.8Å; R642-Q674 PolarHBondContact NH2-O 3.17Å; R642-E675 PolarHBondContact NH2-O 3.14Å; R642-E675 VanDerWaalsContact NH2-O 3.17Å
643	D	65.5	Low	78.9	Confident	128 Å²	128	37.4 Å²	37.4	68%	0.684	21%	0.21	S	C	*	.	G	3₁₀ helix	trans	-60.4	-26.9	174.1	58.9	-45.2	0	0	0	112.7	H641	H641-D643 VanDerWaalsContact CA-OD1 3.25Å; H641-D643 WeakPolarHBondContact CA-OD1 3.17Å; H641-D643 PolarHBondContact O-N 3.31Å
644	I	77.4	Confident	78.4	Confident	10 Å²	10	37.9 Å²	37.9	5%	0.051	21%	0.212	C	C	.	.	G	3₁₀ helix	trans	-105.9	8.1	178.2	62.7	167.1	0	0	0	113.9	K604 L637 H641 R642 L646 A647 F648 I757 V761	K604-I644 HydrophobicContact CB-CD1 4.2Å; K604-I644 HydrophobicContact CD-CD1 3.28Å; K604-I644 HydrophobicContact CG-CD1 4.36Å; L637-I644 HydrophobicContact CD1-CD1 4.36Å; H641-I644 HydrophobicContact CB-CD1 3.91Å; H641-I644 HydrophobicContact CB-CG1 3.83Å; H641-I644 WeakPolarHBondContact O-CG1 3.41Å; H641-I644 PolarHBondContact O-N 3.17Å; R642-I644 PolarHBondContact O-N 3.42Å; I644-L646 PolarHBondContact O-N 2.88Å; I644-A647 PolarHBondContact O-N 3.3Å; I644-A647 VanDerWaalsContact O-N 3.08Å; I644-F648 PolarHBondContact O-N 3.31Å; I644-I757 HydrophobicContact CD1-CD1 3.95Å; I644-I757 HydrophobicContact CD1-CG1 4.17Å; I644-I757 HydrophobicContact CD1-CG2 4.15Å; I644-V761 HydrophobicContact CB-CG2 4.39Å; I644-V761 HydrophobicContact CG2-CB 4.14Å; I644-V761 HydrophobicContact CG2-CG2 4.2Å
645	S	75	Confident	77.9	Confident	15 Å²	15	38.4 Å²	38.4	11%	0.105	21%	0.214	C	C	.	.	H	α-helix	trans	-55	-34.3	176.5	-73.4	0	0	0	0	111.9	L637 R642 F648 F649 D677	L637-S645 WeakPolarHBondContact CD2-OG 3.28Å; R642-S645 WeakPolarHBondContact O-CB 3.32Å; R642-S645 PolarHBondContact O-N 3.38Å; R642-S645 PolarHBondContact O-OG 2.8Å; S645-F648 WeakPolarHBondContact O-CB 3.43Å; S645-F648 PolarHBondContact O-N 3.24Å; S645-F649 WeakPolarHBondContact O-CD2 3.08Å; S645-F649 WeakPolarHBondContact O-CG 3.43Å; S645-F649 PolarHBondContact O-N 3.41Å; S645-D677 WeakPolarHBondContact CB-OD2 3.43Å; S645-D677 PolarHBondContact OG-OD2 2.84Å
646	L	71.5	Confident	77	Confident	102 Å²	102	39.9 Å²	39.9	53%	0.534	22%	0.22	S	C	.	.	H	α-helix	trans	-61.9	-46.8	176.7	-174.6	63	0	0	0	111.9	I644 F648 F649 E650	I644-L646 PolarHBondContact O-N 2.88Å; L646-F648 VanDerWaalsContact C-N 3.31Å; L646-F648 PolarHBondContact O-N 3.23Å; L646-F649 CarbonylContact O-C 3.29Å; L646-F649 PolarHBondContact O-N 2.77Å; L646-F649 VanDerWaalsContact O-N 3.1Å; L646-E650 WeakPolarHBondContact O-CG 3.46Å; L646-E650 PolarHBondContact O-N 3.36Å
647	A	77.3	Confident	76.1	Confident	2 Å²	2	42 Å²	42	2%	0.017	23%	0.23	C	C	.	.	H	α-helix	trans	-68.5	-31.1	178.7	0	0	0	0	0	112.8	I644 F649 E650 T651 P758 V761	I644-A647 PolarHBondContact O-N 3.3Å; I644-A647 VanDerWaalsContact O-N 3.08Å; A647-F649 VanDerWaalsContact C-N 3.33Å; A647-E650 PolarHBondContact O-N 2.66Å; A647-T651 PolarHBondContact O-N 2.8Å; A647-T651 PolarHBondContact O-OG1 3.36Å; A647-P758 HydrophobicContact CB-CG 4.12Å; A647-P758 VanDerWaalsContact O-CD 3.26Å; A647-P758 WeakPolarHBondContact O-CD 3.27Å; A647-P758 WeakPolarHBondContact O-CG 3.47Å; A647-V761 HydrophobicContact CB-CB 4.17Å; A647-V761 HydrophobicContact CB-CG1 3.61Å; A647-V761 HydrophobicContact CB-CG2 3.53Å
648	F	82.4	Confident	75.7	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-62.1	-41.5	169.8	-175.1	-110.1	0	0	0	111.3	T605 K635 L637 I644 S645 L646 T651 A652 D677 M679 I757	T605-F648 HydrophobicContact CG2-CD2 4.24Å; T605-F648 HydrophobicContact CG2-CE2 3.77Å; K635-F648 WeakPolarHBondContact O-CZ 3.29Å; L637-F648 HydrophobicContact CB-CD1 4.38Å; L637-F648 HydrophobicContact CB-CE1 4.27Å; L637-F648 HydrophobicContact CB-CZ 4.37Å; L637-F648 HydrophobicContact CD1-CD2 4.24Å; L637-F648 HydrophobicContact CD1-CG 4.38Å; L637-F648 HydrophobicContact CD2-CB 4.19Å; L637-F648 HydrophobicContact CD2-CD1 4.32Å; L637-F648 HydrophobicContact CD2-CG 4.25Å; I644-F648 PolarHBondContact O-N 3.31Å; S645-F648 WeakPolarHBondContact O-CB 3.43Å; S645-F648 PolarHBondContact O-N 3.24Å; L646-F648 VanDerWaalsContact C-N 3.31Å; L646-F648 PolarHBondContact O-N 3.23Å; F648-T651 PolarHBondContact O-N 3.48Å; F648-A652 PolarHBondContact O-N 3.2Å; F648-D677 HydrophobicContact CD1-CB 4.23Å; F648-D677 HydrophobicContact CE1-CB 4.14Å; F648-M679 HydrophobicContact CD1-CG 4.41Å; F648-M679 HydrophobicContact CD2-CE 3.65Å; F648-M679 HydrophobicContact CE1-CB 4.45Å; F648-M679 HydrophobicContact CE1-CE 4.27Å; F648-M679 HydrophobicContact CE1-CG 3.64Å; F648-M679 HydrophobicContact CE1-SD 4.48Å; F648-M679 HydrophobicContact CE2-CE 3.14Å; F648-M679 HydrophobicContact CE2-CG 4.23Å; F648-M679 HydrophobicContact CE2-SD 4.31Å; F648-M679 HydrophobicContact CG-CE 4.41Å; F648-M679 HydrophobicContact CZ-CB 4.03Å; F648-M679 HydrophobicContact CZ-CE 3.5Å; F648-M679 VanDerWaalsContact CZ-CE 3.5Å; F648-M679 HydrophobicContact CZ-CG 3.53Å; F648-M679 HydrophobicContact CZ-SD 4.19Å; F648-I757 HydrophobicContact CB-CD1 3.78Å; F648-I757 HydrophobicContact CD2-CD1 3.65Å; F648-I757 HydrophobicContact CG-CD1 4.17Å
649	F	77.6	Confident	75.5	Confident	23 Å²	23	44.1 Å²	44.1	10%	0.101	24%	0.241	C	C	.	.	H	α-helix	trans	-74.5	-29.2	174.8	-62	-44.6	0	0	0	114.2	C583 F585 S645 L646 A647 T651 A652 N653 V669 V671 D677	C583-F649 HydrophobicContact CB-CB 4.19Å; F585-F649 HydrophobicContact CD1-CB 4.2Å; F585-F649 HydrophobicContact CD1-CD1 4Å; F585-F649 HydrophobicContact CD1-CG 4.18Å; F585-F649 HydrophobicContact CE1-CB 3.7Å; F585-F649 AromaticContact CE1-CD1 3.4Å; F585-F649 HydrophobicContact CE1-CD1 3.4Å; F585-F649 AromaticContact CE1-CD2 3.89Å; F585-F649 HydrophobicContact CE1-CD2 3.89Å; F585-F649 AromaticContact CE1-CE1 3.98Å; F585-F649 HydrophobicContact CE1-CE1 3.98Å; F585-F649 HydrophobicContact CE1-CE2 4.37Å; F585-F649 AromaticContact CE1-CG 3.37Å; F585-F649 HydrophobicContact CE1-CG 3.37Å; F585-F649 HydrophobicContact CE1-CZ 4.41Å; F585-F649 HydrophobicContact CE2-CE1 4.45Å; F585-F649 AromaticContact CZ-CD1 3.73Å; F585-F649 HydrophobicContact CZ-CD1 3.73Å; F585-F649 HydrophobicContact CZ-CD2 4.11Å; F585-F649 AromaticContact CZ-CE1 3.8Å; F585-F649 HydrophobicContact CZ-CE1 3.8Å; F585-F649 HydrophobicContact CZ-CE2 4.14Å; F585-F649 AromaticContact CZ-CG 3.92Å; F585-F649 HydrophobicContact CZ-CG 3.92Å; F585-F649 AromaticContact CZ-CZ 3.98Å; F585-F649 HydrophobicContact CZ-CZ 3.98Å; S645-F649 WeakPolarHBondContact O-CD2 3.08Å; S645-F649 WeakPolarHBondContact O-CG 3.43Å; S645-F649 PolarHBondContact O-N 3.41Å; L646-F649 CarbonylContact O-C 3.29Å; L646-F649 PolarHBondContact O-N 2.77Å; L646-F649 VanDerWaalsContact O-N 3.1Å; A647-F649 VanDerWaalsContact C-N 3.33Å; F649-T651 PolarHBondContact O-N 2.76Å; F649-A652 WeakPolarHBondContact O-CB 3.45Å; F649-A652 PolarHBondContact O-N 3.46Å; F649-N653 WeakPolarHBondContact O-CB 3.09Å; F649-N653 PolarHBondContact O-N 3.1Å; F649-V669 HydrophobicContact CD1-CG1 3.85Å; F649-V669 HydrophobicContact CE1-CG1 3.41Å; F649-V669 VanDerWaalsContact CE1-CG1 3.41Å; F649-V671 HydrophobicContact CE1-CG2 3.69Å; F649-V671 HydrophobicContact CE2-CG2 4.49Å; F649-V671 HydrophobicContact CZ-CG1 4.36Å; F649-V671 HydrophobicContact CZ-CG2 3.51Å; F649-D677 HydrophobicContact CE1-CB 4.13Å; F649-D677 HydrophobicContact CZ-CB 3.89Å
650	E	77.6	Confident	76	Confident	87 Å²	87	41.5 Å²	41.5	41%	0.407	22%	0.219	S	C	.	.	H	α-helix	trans	-58.2	-40.9	170.8	-74.2	171.8	179.7	0	0	110.7	L646 A647 N653 M654	L646-E650 WeakPolarHBondContact O-CG 3.46Å; L646-E650 PolarHBondContact O-N 3.36Å; A647-E650 PolarHBondContact O-N 2.66Å; E650-N653 WeakPolarHBondContact O-CB 3.26Å; E650-N653 PolarHBondContact O-N 3.23Å; E650-M654 PolarHBondContact O-N 3.27Å
651	T	83.4	Confident	76.7	Confident	5 Å²	5	42.6 Å²	42.6	3%	0.031	21%	0.206	C	C	.	.	H	α-helix	trans	-66.1	-45.3	175.1	-58.1	0	0	0	0	111.8	A647 F648 F649 N653 M654 M655 D754 P755 G756 P758	A647-T651 PolarHBondContact O-N 2.8Å; A647-T651 PolarHBondContact O-OG1 3.36Å; F648-T651 PolarHBondContact O-N 3.48Å; F649-T651 PolarHBondContact O-N 2.76Å; T651-N653 PolarHBondContact O-N 3.03Å; T651-M654 WeakPolarHBondContact O-CB 3.5Å; T651-M654 PolarHBondContact O-N 3.43Å; T651-M655 HydrophobicContact CG2-CG 4.45Å; T651-M655 WeakPolarHBondContact O-CG 3.25Å; T651-M655 PolarHBondContact O-N 3.26Å; T651-D754 HydrophobicContact CG2-CB 3.94Å; T651-P755 HydrophobicContact CG2-CG 3.73Å; T651-G756 WeakPolarHBondContact CB-O 2.86Å; T651-G756 WeakPolarHBondContact CG2-O 3.36Å; T651-G756 PolarHBondContact OG1-O 2.74Å; T651-P758 WeakPolarHBondContact OG1-CD 3.41Å; T651-P758 VanDerWaalsContact OG1-CG 3.27Å; T651-P758 WeakPolarHBondContact OG1-CG 3.35Å
652	A	82.5	Confident	77.5	Confident	1 Å²	1	39.7 Å²	39.7	1%	0.008	19%	0.193	C	C	.	.	H	α-helix	trans	-57.6	-39.9	174.1	0	0	0	0	0	111.8	F648 F649 M655 R656 L666 V669 M679	F648-A652 PolarHBondContact O-N 3.2Å; F649-A652 WeakPolarHBondContact O-CB 3.45Å; F649-A652 PolarHBondContact O-N 3.46Å; A652-M655 PolarHBondContact O-N 3.38Å; A652-R656 PolarHBondContact O-N 3.01Å; A652-L666 HydrophobicContact CB-CD2 4.03Å; A652-L666 WeakPolarHBondContact O-CD2 3.22Å; A652-V669 HydrophobicContact CB-CG2 3.74Å; A652-M679 HydrophobicContact CB-CG 4.12Å; A652-M679 HydrophobicContact CB-SD 3.58Å; A652-M679 VanDerWaalsContact CB-SD 3.58Å
653	N	74.6	Confident	78.8	Confident	15 Å²	15	34 Å²	34	8%	0.08	17%	0.172	C	C	.	.	H	α-helix	trans	-64.7	-46.1	177.8	-171.7	45.7	0	0	0	111.4	E581 F649 E650 T651 M655 R656 Q657	E581-N653 PolarHBondContact OE2-ND2 3.43Å; F649-N653 WeakPolarHBondContact O-CB 3.09Å; F649-N653 PolarHBondContact O-N 3.1Å; E650-N653 WeakPolarHBondContact O-CB 3.26Å; E650-N653 PolarHBondContact O-N 3.23Å; T651-N653 PolarHBondContact O-N 3.03Å; N653-M655 PolarHBondContact O-N 2.97Å; N653-R656 PolarHBondContact O-N 3.29Å; N653-Q657 PolarHBondContact ND2-NE2 2.87Å; N653-Q657 WeakPolarHBondContact O-CG 3.47Å; N653-Q657 PolarHBondContact O-N 3.47Å
654	M	83.1	Confident	79.9	Confident	24 Å²	24	28 Å²	28	12%	0.118	14%	0.14	C	C	.	.	H	α-helix	trans	-56.5	-50	174.4	-176.4	-161.9	74.2	0	0	111.3	E650 T651 R656 Q657 L724 V725 P755	E650-M654 PolarHBondContact O-N 3.27Å; T651-M654 WeakPolarHBondContact O-CB 3.5Å; T651-M654 PolarHBondContact O-N 3.43Å; M654-R656 PolarHBondContact O-N 3.11Å; M654-Q657 PolarHBondContact O-N 2.84Å; M654-Q657 VanDerWaalsContact O-N 3.11Å; M654-L724 HydrophobicContact CG-CD1 4.42Å; M654-L724 HydrophobicContact CG-CD2 4.37Å; M654-V725 VanDerWaalsContact SD-O 3.33Å; M654-P755 HydrophobicContact CE-CG 4.11Å
655	M	81.8	Confident	80.3	Confident	11 Å²	11	29.2 Å²	29.2	5%	0.054	15%	0.147	C	C	.	.	H	α-helix	trans	-67.2	-23.2	-177	-66.5	-62	-68.9	0	0	113.4	T651 A652 N653 V658 I663 L666 D754	T651-M655 HydrophobicContact CG2-CG 4.45Å; T651-M655 WeakPolarHBondContact O-CG 3.25Å; T651-M655 PolarHBondContact O-N 3.26Å; A652-M655 PolarHBondContact O-N 3.38Å; N653-M655 PolarHBondContact O-N 2.97Å; M655-V658 WeakPolarHBondContact O-CG2 3.37Å; M655-I663 HydrophobicContact CE-CG2 3.69Å; M655-L666 HydrophobicContact CB-CB 4.26Å; M655-L666 HydrophobicContact CB-CD2 4.14Å; M655-D754 HydrophobicContact CE-CB 4.04Å; M655-D754 HydrophobicContact CG-CB 3.7Å; M655-D754 HydrophobicContact SD-CB 3.98Å
656	R	73.8	Confident	80.9	Confident	45 Å²	45	29.6 Å²	29.6	17%	0.17	15%	0.147	C	C	.	.	H	α-helix	trans	-72.4	-31.2	173.2	-179.9	-177	170.1	-173.8	-0.3	113	I584 A652 N653 M654 V658 L666	I584-R656 PolarHBondContact O-NH1 3.09Å; A652-R656 PolarHBondContact O-N 3.01Å; N653-R656 PolarHBondContact O-N 3.29Å; M654-R656 PolarHBondContact O-N 3.11Å; R656-V658 PolarHBondContact O-N 3.07Å; R656-L666 HydrophobicContact CB-CD2 4.45Å
657	Q	71.9	Confident	81.4	Confident	48 Å²	48	26.3 Å²	26.3	22%	0.224	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.6	-6.1	-175	-64.6	178.9	42.4	0	0	113.1	N653 M654 K722	N653-Q657 PolarHBondContact ND2-NE2 2.87Å; N653-Q657 WeakPolarHBondContact O-CG 3.47Å; N653-Q657 PolarHBondContact O-N 3.47Å; M654-Q657 PolarHBondContact O-N 2.84Å; M654-Q657 VanDerWaalsContact O-N 3.11Å; Q657-K722 PolarHBondContact O-NZ 2.64Å
658	V	78.4	Confident	81.5	Confident	14 Å²	14	26.4 Å²	26.4	9%	0.085	13%	0.129	C	C	.	.			trans	-107.1	140.4	-174.8	-63.2	0	0	0	0	111.1	M655 R656 I663 Y718 L719 L724	M655-V658 WeakPolarHBondContact O-CG2 3.37Å; R656-V658 PolarHBondContact O-N 3.07Å; V658-I663 HydrophobicContact CB-CD1 4.4Å; V658-I663 HydrophobicContact CG2-CG2 3.91Å; V658-Y718 HydrophobicContact CB-CE1 3.92Å; V658-Y718 HydrophobicContact CG1-CE1 4.01Å; V658-L719 HydrophobicContact CG1-CD2 3.63Å; V658-L724 HydrophobicContact CG1-CD1 3.58Å
659	S	78.8	Confident	81.6	Confident	46 Å²	46	26.4 Å²	26.4	32%	0.322	13%	0.129	S	C	.	.			trans	-142.8	99.7	172.6	-171	0	0	0	0	107.1	Y718	S659-Y718 PolarHBondContact N-OH 3.46Å; S659-Y718 PolarHBondContact O-OH 3.5Å
660	H	81.3	Confident	81.9	Confident	33 Å²	33	25.5 Å²	25.5	15%	0.153	13%	0.126	C	C	.	.			trans	-145.1	142.4	-178.4	-174.7	-102.7	0	0	0	109.2	H662 I663 Y718	H660-H662 AromaticContact CE1-CD2 3.75Å; H660-H662 PolarHBondContact ND1-N 3.48Å; H660-H662 PolarHBondContact O-N 3.35Å; H660-I663 HydrophobicContact CB-CB 4.23Å; H660-I663 HydrophobicContact CB-CD1 3.83Å; H660-I663 HydrophobicContact CB-CG1 3.93Å; H660-I663 PolarHBondContact O-N 3.32Å; H660-Y718 HydrophobicContact CB-CD1 3.97Å; H660-Y718 HydrophobicContact CB-CE1 4.09Å; H660-Y718 HydrophobicContact CB-CG 4.23Å
661	K	79.4	Confident	81.6	Confident	87 Å²	87	22.9 Å²	22.9	38%	0.378	12%	0.116	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-31.4	-175.4	59.1	168.4	174.8	165.2	0	113.8	F749	K661-F749 HydrophobicContact CB-CZ 4.22Å; K661-F749 WeakPolarHBondContact O-CE1 3.2Å
662	H	90.6	Very high	80.7	Confident	4 Å²	4	26.6 Å²	26.6	2%	0.019	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.3	22.5	179.4	-59.8	-58.5	0	0	0	113	H660 Q711 A715 F749 I750 K751 L752	H660-H662 AromaticContact CE1-CD2 3.75Å; H660-H662 PolarHBondContact ND1-N 3.48Å; H660-H662 PolarHBondContact O-N 3.35Å; H662-Q711 VanDerWaalsContact CE1-CG 3.48Å; H662-Q711 WeakPolarHBondContact CE1-CG 3.45Å; H662-Q711 PolarHBondContact CE1-OE1 2.92Å; H662-Q711 PolarHBondContact ND1-OE1 3.24Å; H662-A715 HydrophobicContact CB-CB 4.05Å; H662-F749 AromaticContact CE1-CD2 3.94Å; H662-F749 AromaticContact CE1-CE1 3.93Å; H662-F749 AromaticContact CE1-CE2 3.54Å; H662-F749 AromaticContact CE1-CZ 3.54Å; H662-F749 AromaticContact ND1-CE1 3.59Å; H662-F749 AromaticContact ND1-CZ 3.59Å; H662-I750 WeakPolarHBondContact CA-O 3.48Å; H662-I750 PolarHBondContact ND1-O 3.01Å; H662-K751 CarbonylContact O-C 3.59Å; H662-K751 WeakPolarHBondContact O-CA 3.27Å; H662-L752 PolarHBondContact O-N 3.06Å
663	I	90.3	Very high	79.2	Confident	13 Å²	13	35 Å²	35	7%	0.067	17%	0.168	C	C	.	.	B	Isolated β-bridge	trans	-123.9	135.9	172.4	-61.5	179.5	0	0	0	108.3	M655 V658 H660 A715 Y718 L719 L752	M655-I663 HydrophobicContact CE-CG2 3.69Å; V658-I663 HydrophobicContact CB-CD1 4.4Å; V658-I663 HydrophobicContact CG2-CG2 3.91Å; H660-I663 HydrophobicContact CB-CB 4.23Å; H660-I663 HydrophobicContact CB-CD1 3.83Å; H660-I663 HydrophobicContact CB-CG1 3.93Å; H660-I663 PolarHBondContact O-N 3.32Å; I663-A715 HydrophobicContact CG1-CB 4.13Å; I663-Y718 HydrophobicContact CD1-CD1 4.08Å; I663-Y718 HydrophobicContact CD1-CE1 4.43Å; I663-L719 HydrophobicContact CD1-CD2 3.93Å; I663-L719 HydrophobicContact CD1-CG 4.2Å; I663-L752 WeakPolarHBondContact CA-O 3.34Å
664	V	89.9	Confident	78	Confident	3 Å²	3	42.4 Å²	42.4	2%	0.018	20%	0.202	C	C	.	.	P	Polyproline II helix	trans	-62.5	135.5	179.6	171.7	0	0	0	0	110.4	E681 E682 V684 L735 K751 L752	V664-E681 HydrophobicContact CG1-CB 4.01Å; V664-E681 HydrophobicContact CG1-CG 4.33Å; V664-E682 HydrophobicContact CG1-CB 3.96Å; V664-V684 HydrophobicContact CG2-CG2 4.39Å; V664-L735 HydrophobicContact CG2-CD1 3.84Å; V664-K751 HydrophobicContact CG2-CB 3.8Å; V664-L752 WeakPolarHBondContact CG2-O 3.39Å; V664-L752 PolarHBondContact N-O 3.28Å
665	L	85.2	Confident	76.8	Confident	36 Å²	36	45 Å²	45	19%	0.188	21%	0.214	C	C	.	.	P	Polyproline II helix	trans	-74.5	129	175.6	178.5	68.5	0	0	0	111	Y667 E682 I891 M917	L665-Y667 HydrophobicContact CD2-CE1 4.06Å; L665-E682 HydrophobicContact CB-CB 4.14Å; L665-E682 PolarHBondContact N-OE2 3.37Å; L665-E682 PolarHBondContact O-N 2.99Å; L665-I891 HydrophobicContact CD2-CD1 4.23Å; L665-M917 HydrophobicContact CD1-CE 4.29Å; L665-M917 HydrophobicContact CD2-CE 3.74Å; L665-M917 HydrophobicContact CD2-SD 4.08Å
666	L	87.1	Confident	76.1	Confident	23 Å²	23	48.6 Å²	48.6	12%	0.12	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	118.1	167.3	-177.8	72.4	0	0	0	109.9	A652 M655 R656 M679 V680 E681	A652-L666 HydrophobicContact CB-CD2 4.03Å; A652-L666 WeakPolarHBondContact O-CD2 3.22Å; M655-L666 HydrophobicContact CB-CB 4.26Å; M655-L666 HydrophobicContact CB-CD2 4.14Å; R656-L666 HydrophobicContact CB-CD2 4.45Å; L666-M679 HydrophobicContact CD1-CB 4.27Å; L666-V680 WeakPolarHBondContact CD1-O 3.46Å; L666-E681 HydrophobicContact CD1-CG 3.94Å
667	Y	82.3	Confident	76.6	Confident	32 Å²	32	47.1 Å²	47.1	13%	0.125	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	-39.5	176.3	-71	-83.7	0	0	0	111.9	H586 L612 V632 L665 V680 E682 I891	H586-Y667 PolarHBondContact CD2-O 3.42Å; L612-Y667 HydrophobicContact CD2-CD1 3.96Å; L612-Y667 HydrophobicContact CD2-CG 4Å; V632-Y667 HydrophobicContact CG1-CD2 3.86Å; V632-Y667 HydrophobicContact CG1-CE2 3.75Å; L665-Y667 HydrophobicContact CD2-CE1 4.06Å; Y667-V680 WeakPolarHBondContact CB-O 3.15Å; Y667-V680 HydrophobicContact CD2-CG1 4.4Å; Y667-V680 PolarHBondContact N-O 3.05Å; Y667-E682 HydrophobicContact CE2-CB 4.26Å; Y667-I891 HydrophobicContact CD1-CG2 4.41Å; Y667-I891 HydrophobicContact CE1-CG2 3.85Å
668	G	80.2	Confident	77.4	Confident	4 Å²	4	46.1 Å²	46.1	4%	0.041	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	160.9	-164.2	-177.9	0	0	0	0	0	112.2	H586 V680	H586-G668 WeakPolarHBondContact O-CA 3.11Å; G668-V680 PolarHBondContact O-N 3.23Å
669	V	84.7	Confident	77.9	Confident	0 Å²	0	45.5 Å²	45.5	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	136.4	-174.6	-177.4	0	0	0	0	109.3	F585 H586 R587 I588 F649 A652 V671 I678 M679	F585-V669 HydrophobicContact CB-CB 4.15Å; F585-V669 HydrophobicContact CB-CG2 3.79Å; F585-V669 HydrophobicContact CD1-CG2 4.32Å; F585-V669 HydrophobicContact CD2-CB 3.57Å; F585-V669 HydrophobicContact CD2-CG1 3.99Å; F585-V669 HydrophobicContact CD2-CG2 4.09Å; F585-V669 HydrophobicContact CE2-CB 4.16Å; F585-V669 HydrophobicContact CE2-CG1 4.07Å; F585-V669 HydrophobicContact CG-CB 3.81Å; F585-V669 HydrophobicContact CG-CG1 4.34Å; F585-V669 HydrophobicContact CG-CG2 3.77Å; F585-V669 HydrophobicContact CZ-CG1 4.48Å; H586-V669 PolarHBondContact O-N 3Å; R587-V669 WeakPolarHBondContact CA-O 3.44Å; I588-V669 PolarHBondContact N-O 3.48Å; F649-V669 HydrophobicContact CD1-CG1 3.85Å; F649-V669 HydrophobicContact CE1-CG1 3.41Å; F649-V669 VanDerWaalsContact CE1-CG1 3.41Å; A652-V669 HydrophobicContact CB-CG2 3.74Å; V669-V671 HydrophobicContact CG1-CG2 3.75Å; V669-I678 CarbonylContact C-O 3.5Å; V669-I678 VanDerWaalsContact CA-O 3.29Å; V669-I678 WeakPolarHBondContact CA-O 3.47Å; V669-I678 WeakPolarHBondContact CG1-O 3.32Å; V669-M679 HydrophobicContact CG2-CG 4.33Å
670	C	84.3	Confident	78.5	Confident	5 Å²	5	43.3 Å²	43.3	3%	0.034	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	119.8	169.8	-169.6	0	0	0	0	109.3	I588 I593 I678	I588-C670 PolarHBondContact O-SG 3.35Å; I593-C670 HydrophobicContact CD1-CB 3.81Å; C670-I678 HydrophobicContact CB-CB 4.15Å; C670-I678 PolarHBondContact N-O 2.97Å; C670-I678 PolarHBondContact O-N 2.76Å
671	V	71.1	Confident	79	Confident	32 Å²	32	42 Å²	42	19%	0.194	20%	0.195	C	C	.	.			trans	-118.5	129.8	-179.7	-179.2	0	0	0	0	111	F585 R587 F649 V669	F585-V671 HydrophobicContact CD2-CG2 4.3Å; F585-V671 HydrophobicContact CE2-CB 4.34Å; F585-V671 HydrophobicContact CE2-CG2 3.26Å; F585-V671 HydrophobicContact CZ-CG2 3.57Å; R587-V671 PolarHBondContact NH2-O 3.02Å; F649-V671 HydrophobicContact CE1-CG2 3.69Å; F649-V671 HydrophobicContact CE2-CG2 4.49Å; F649-V671 HydrophobicContact CZ-CG1 4.36Å; F649-V671 HydrophobicContact CZ-CG2 3.51Å; V669-V671 HydrophobicContact CG1-CG2 3.75Å
672	R	63.8	Low	79.4	Confident	83 Å²	83	38.1 Å²	38.1	31%	0.313	18%	0.179	S	C	.	.			trans	-128.1	126.1	179.1	-71.3	-165.5	60.7	174.4	-6	111.8	Q674 E675	R672-Q674 PolarHBondContact O-N 3.46Å; R672-E675 HydrophobicContact CB-CB 3.75Å; R672-E675 WeakPolarHBondContact CD-OE2 3.48Å; R672-E675 HydrophobicContact CG-CB 4.28Å; R672-E675 IonicContact CZ-OE1 3.96Å; R672-E675 IonicContact CZ-OE2 3.51Å; R672-E675 IonicContact NE-OE1 3.55Å; R672-E675 IonicContact NE-OE2 2.63Å; R672-E675 IonicContact NH1-OE1 3.18Å; R672-E675 PolarHBondContact NH1-OE1 3.38Å; R672-E675 IonicContact NH1-OE2 3.11Å; R672-E675 PolarHBondContact NH1-OE2 3.37Å; R672-E675 IonicContact NH2-OE1 3.88Å; R672-E675 PolarHBondContact NH2-OE1 3.5Å; R672-E675 VanDerWaalsContact NH2-OE1 3.11Å; R672-E675 IonicContact NH2-OE2 3.05Å; R672-E675 PolarHBondContact O-N 3.38Å
673	H	51.9	Low	79.4	Confident	176 Å²	176	40.5 Å²	40.5	82%	0.815	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-10.7	175.9	-79	-67.5	0	0	0	115
674	Q	47.4	Very low	79.3	Confident	171 Å²	171	40.3 Å²	40.3	80%	0.799	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	-135.8	0.9	-179.2	-68.6	179.3	-8.6	0	0	115.1	R642 R672	R642-Q674 PolarHBondContact NH2-O 3.17Å; R672-Q674 PolarHBondContact O-N 3.46Å
675	E	58	Low	79	Confident	79 Å²	79	46.4 Å²	46.4	37%	0.369	22%	0.215	S	C	.	.	S	Bend	trans	-124.7	-158.5	-178.7	-89	-171	-157	0	0	112.1	K590 R642 R672	K590-E675 IonicContact NZ-OE1 3.61Å; K590-E675 PolarHBondContact NZ-OE1 2.97Å; K590-E675 IonicContact NZ-OE2 3.51Å; K590-E675 PolarHBondContact NZ-OE2 3.26Å; R642-E675 PolarHBondContact NH2-O 3.14Å; R642-E675 VanDerWaalsContact NH2-O 3.17Å; R672-E675 HydrophobicContact CB-CB 3.75Å; R672-E675 WeakPolarHBondContact CD-OE2 3.48Å; R672-E675 HydrophobicContact CG-CB 4.28Å; R672-E675 IonicContact CZ-OE1 3.96Å; R672-E675 IonicContact CZ-OE2 3.51Å; R672-E675 IonicContact NE-OE1 3.55Å; R672-E675 IonicContact NE-OE2 2.63Å; R672-E675 IonicContact NH1-OE1 3.18Å; R672-E675 PolarHBondContact NH1-OE1 3.38Å; R672-E675 IonicContact NH1-OE2 3.11Å; R672-E675 PolarHBondContact NH1-OE2 3.37Å; R672-E675 IonicContact NH2-OE1 3.88Å; R672-E675 PolarHBondContact NH2-OE1 3.5Å; R672-E675 VanDerWaalsContact NH2-OE1 3.11Å; R672-E675 IonicContact NH2-OE2 3.05Å; R672-E675 PolarHBondContact O-N 3.38Å
676	K	68.8	Low	79	Confident	86 Å²	86	47.6 Å²	47.6	37%	0.374	22%	0.222	S	C	.	.			trans	-88.8	142.3	-179.9	-58.8	179.8	-173.7	176.1	0	110.7	V636 L637	V636-K676 HydrophobicContact CG1-CB 3.55Å; V636-K676 HydrophobicContact CG1-CD 3.36Å; V636-K676 HydrophobicContact CG1-CG 4.07Å; L637-K676 WeakPolarHBondContact O-CB 3.23Å
677	D	83.4	Confident	79.1	Confident	15 Å²	15	47.2 Å²	47.2	8%	0.08	22%	0.224	C	C	.	.			trans	-77.9	137.5	173.9	-61.9	-42.9	0	0	0	110.4	L637 S645 F648 F649	L637-D677 HydrophobicContact CB-CB 4.25Å; L637-D677 HydrophobicContact CD2-CB 4.46Å; L637-D677 PolarHBondContact N-O 2.77Å; S645-D677 WeakPolarHBondContact CB-OD2 3.43Å; S645-D677 PolarHBondContact OG-OD2 2.84Å; F648-D677 HydrophobicContact CD1-CB 4.23Å; F648-D677 HydrophobicContact CE1-CB 4.14Å; F649-D677 HydrophobicContact CE1-CB 4.13Å; F649-D677 HydrophobicContact CZ-CB 3.89Å
678	I	88.6	Confident	79.6	Confident	26 Å²	26	47.9 Å²	47.9	13%	0.133	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	125.5	-173.3	-47.7	179.8	0	0	0	110.8	L634 K635 V636 V669 C670 V680	L634-I678 HydrophobicContact CB-CG2 3.95Å; L634-I678 HydrophobicContact CD2-CG2 4.29Å; K635-I678 WeakPolarHBondContact O-CA 3.37Å; V636-I678 HydrophobicContact CG1-CG1 4.33Å; V636-I678 HydrophobicContact CG2-CD1 4.27Å; V636-I678 HydrophobicContact CG2-CG1 4.09Å; V636-I678 HydrophobicContact CG2-CG2 4.15Å; V669-I678 CarbonylContact C-O 3.5Å; V669-I678 VanDerWaalsContact CA-O 3.29Å; V669-I678 WeakPolarHBondContact CA-O 3.47Å; V669-I678 WeakPolarHBondContact CG1-O 3.32Å; C670-I678 HydrophobicContact CB-CB 4.15Å; C670-I678 PolarHBondContact N-O 2.97Å; C670-I678 PolarHBondContact O-N 2.76Å; I678-V680 HydrophobicContact CG2-CG2 4.44Å
679	M	89.5	Confident	80.3	Confident	1 Å²	1	47.7 Å²	47.7	1%	0.005	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	135.4	163.8	-73.1	-167.9	-71	0	0	109.9	K635 F648 A652 L666 V669	K635-M679 HydrophobicContact CB-CB 4.34Å; K635-M679 PolarHBondContact N-O 3.2Å; K635-M679 PolarHBondContact O-N 3.26Å; F648-M679 HydrophobicContact CD1-CG 4.41Å; F648-M679 HydrophobicContact CD2-CE 3.65Å; F648-M679 HydrophobicContact CE1-CB 4.45Å; F648-M679 HydrophobicContact CE1-CE 4.27Å; F648-M679 HydrophobicContact CE1-CG 3.64Å; F648-M679 HydrophobicContact CE1-SD 4.48Å; F648-M679 HydrophobicContact CE2-CE 3.14Å; F648-M679 HydrophobicContact CE2-CG 4.23Å; F648-M679 HydrophobicContact CE2-SD 4.31Å; F648-M679 HydrophobicContact CG-CE 4.41Å; F648-M679 HydrophobicContact CZ-CB 4.03Å; F648-M679 HydrophobicContact CZ-CE 3.5Å; F648-M679 VanDerWaalsContact CZ-CE 3.5Å; F648-M679 HydrophobicContact CZ-CG 3.53Å; F648-M679 HydrophobicContact CZ-SD 4.19Å; A652-M679 HydrophobicContact CB-CG 4.12Å; A652-M679 HydrophobicContact CB-SD 3.58Å; A652-M679 VanDerWaalsContact CB-SD 3.58Å; L666-M679 HydrophobicContact CD1-CB 4.27Å; V669-M679 HydrophobicContact CG2-CG 4.33Å
680	V	90.7	Very high	80.5	Confident	0 Å²	0	48.4 Å²	48.4	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	107.8	-178.6	-172.7	0	0	0	0	109.4	I588 I593 L612 V632 V633 L634 L666 Y667 G668 I678	I588-V680 HydrophobicContact CD1-CB 3.79Å; I588-V680 HydrophobicContact CD1-CG1 4.18Å; I588-V680 HydrophobicContact CD1-CG2 3.81Å; I593-V680 HydrophobicContact CD1-CG2 3.64Å; L612-V680 HydrophobicContact CD2-CG1 4.49Å; V632-V680 HydrophobicContact CB-CG1 3.76Å; V632-V680 HydrophobicContact CG1-CG1 3.9Å; V632-V680 HydrophobicContact CG2-CG1 3.83Å; V633-V680 WeakPolarHBondContact O-CA 3.33Å; L634-V680 HydrophobicContact CD2-CB 4.38Å; L634-V680 HydrophobicContact CD2-CG1 4.01Å; L634-V680 HydrophobicContact CD2-CG2 3.91Å; L666-V680 WeakPolarHBondContact CD1-O 3.46Å; Y667-V680 WeakPolarHBondContact CB-O 3.15Å; Y667-V680 HydrophobicContact CD2-CG1 4.4Å; Y667-V680 PolarHBondContact N-O 3.05Å; G668-V680 PolarHBondContact O-N 3.23Å; I678-V680 HydrophobicContact CG2-CG2 4.44Å
681	E	91.3	Very high	80.7	Confident	6 Å²	6	50.2 Å²	50.2	3%	0.028	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	163.4	-174.2	-75.9	163.3	-135.4	0	0	112.3	V632 V633 K635 V664 L666 Y683 S753	V632-E681 CarbonylContact C-O 3.57Å; V632-E681 VanDerWaalsContact CA-O 3.29Å; V632-E681 WeakPolarHBondContact CA-O 3.4Å; V632-E681 WeakPolarHBondContact CB-O 3.35Å; V633-E681 HydrophobicContact CB-CB 4.26Å; V633-E681 PolarHBondContact N-O 3.47Å; V633-E681 PolarHBondContact O-N 3.24Å; K635-E681 VanDerWaalsContact CD-OE1 3.29Å; K635-E681 WeakPolarHBondContact CD-OE1 3.46Å; K635-E681 WeakPolarHBondContact CE-OE1 3.22Å; K635-E681 VanDerWaalsContact CE-OE2 3.28Å; K635-E681 WeakPolarHBondContact CE-OE2 3.42Å; K635-E681 IonicContact NZ-OE1 3.58Å; K635-E681 IonicContact NZ-OE2 2.77Å; V664-E681 HydrophobicContact CG1-CB 4.01Å; V664-E681 HydrophobicContact CG1-CG 4.33Å; L666-E681 HydrophobicContact CD1-CG 3.94Å; E681-Y683 PolarHBondContact O-N 2.84Å; E681-S753 PolarHBondContact OE2-OG 3.17Å
682	E	89.1	Confident	81.7	Confident	6 Å²	6	49.6 Å²	49.6	3%	0.028	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.5	129.2	169.5	176.2	-176.7	-168.2	0	0	112.4	V664 L665 Y667 V684 K751 R906	V664-E682 HydrophobicContact CG1-CB 3.96Å; L665-E682 HydrophobicContact CB-CB 4.14Å; L665-E682 PolarHBondContact N-OE2 3.37Å; L665-E682 PolarHBondContact O-N 2.99Å; Y667-E682 HydrophobicContact CE2-CB 4.26Å; E682-V684 HydrophobicContact CG-CG2 4.48Å; E682-K751 IonicContact OE1-NZ 2.84Å; E682-K751 PolarHBondContact OE1-NZ 3.49Å; E682-K751 IonicContact OE2-NZ 3.51Å; E682-K751 PolarHBondContact OE2-NZ 2.99Å; E682-R906 VanDerWaalsContact CD-NH2 3.26Å; E682-R906 IonicContact OE1-CZ 2.7Å; E682-R906 IonicContact OE1-NH1 3.31Å; E682-R906 PolarHBondContact OE1-NH1 3.37Å; E682-R906 IonicContact OE1-NH2 2.67Å; E682-R906 PolarHBondContact OE1-NH2 3.41Å; E682-R906 VanDerWaalsContact OE1-NH2 3.12Å; E682-R906 IonicContact OE2-NH2 2.7Å; E682-R906 PolarHBondContact OE2-NH2 3.13Å
683	Y	89.7	Confident	82.9	Confident	54 Å²	54	45.9 Å²	45.9	21%	0.212	23%	0.226	C	C	.	.			trans	-77.7	122.4	168.7	178.9	-100.4	0	0	0	111.4	L599 L609 K631 V633 E681 Q685	L599-Y683 HydrophobicContact CD1-CE2 4.36Å; L609-Y683 HydrophobicContact CD1-CD2 3.36Å; L609-Y683 HydrophobicContact CD1-CE2 3.52Å; L609-Y683 HydrophobicContact CD1-CG 3.91Å; K631-Y683 HydrophobicContact CB-CD1 4.32Å; K631-Y683 HydrophobicContact CB-CG 4.44Å; K631-Y683 WeakPolarHBondContact O-CB 3.34Å; V633-Y683 HydrophobicContact CG2-CD2 3.81Å; E681-Y683 PolarHBondContact O-N 2.84Å; Y683-Q685 HydrophobicContact CE1-CB 4.5Å
684	V	88.3	Confident	84.6	Confident	9 Å²	9	42.5 Å²	42.5	6%	0.055	21%	0.206	C	C	.	.			trans	-107.5	124.4	177.5	-177.5	0	0	0	0	109.3	V664 E682 L686 G687 L735 L736 A737 K751	V664-V684 HydrophobicContact CG2-CG2 4.39Å; E682-V684 HydrophobicContact CG-CG2 4.48Å; V684-L686 PolarHBondContact O-N 2.96Å; V684-G687 PolarHBondContact O-N 2.73Å; V684-L735 HydrophobicContact CB-CB 3.75Å; V684-L735 HydrophobicContact CB-CD1 3.92Å; V684-L735 HydrophobicContact CB-CG 4.48Å; V684-L735 HydrophobicContact CG1-CB 3.72Å; V684-L735 HydrophobicContact CG2-CB 3.96Å; V684-L735 HydrophobicContact CG2-CD1 3.71Å; V684-L736 VanDerWaalsContact CG1-C 3.48Å; V684-L736 VanDerWaalsContact CG1-O 3.22Å; V684-L736 WeakPolarHBondContact CG1-O 3.47Å; V684-A737 HydrophobicContact CG1-CB 3.88Å; V684-K751 HydrophobicContact CG2-CD 4.31Å
685	Q	83	Confident	86.5	Confident	130 Å²	130	43.4 Å²	43.4	61%	0.607	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-41.7	-159.3	-174.7	168.1	-9.8	0	0	115.4	Y683 G687	Y683-Q685 HydrophobicContact CE1-CB 4.5Å; Q685-G687 VanDerWaalsContact C-N 3.34Å
686	L	86.5	Confident	87.8	Confident	61 Å²	61	42.5 Å²	42.5	32%	0.319	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.7	-7.5	-178	-51.5	167.1	0	0	0	112.8	V684 F692 L736 D739	V684-L686 PolarHBondContact O-N 2.96Å; L686-F692 HydrophobicContact CB-CD2 4.49Å; L686-F692 HydrophobicContact CD1-CE2 4.46Å; L686-L736 HydrophobicContact CB-CB 4.15Å; L686-L736 HydrophobicContact CB-CD2 4.48Å; L686-L736 HydrophobicContact CB-CG 4.48Å; L686-L736 WeakPolarHBondContact CB-O 3.26Å; L686-L736 HydrophobicContact CD1-CB 4.41Å; L686-L736 HydrophobicContact CD1-CD2 3.86Å; L686-L736 HydrophobicContact CD1-CG 3.86Å; L686-L736 PolarHBondContact N-O 2.91Å; L686-D739 HydrophobicContact CD1-CB 3.8Å
687	G	89.8	Confident	88	Confident	16 Å²	16	48 Å²	48	17%	0.165	23%	0.225	C	C	.	.			trans	71.6	-155.2	175.3	0	0	0	0	0	114.2	V684 Q685 L735 L736	V684-G687 PolarHBondContact O-N 2.73Å; Q685-G687 VanDerWaalsContact C-N 3.34Å; G687-L735 CarbonylContact O-C 3.59Å; G687-L735 VanDerWaalsContact O-CA 3.3Å; G687-L735 WeakPolarHBondContact O-CA 3.3Å; G687-L736 PolarHBondContact O-N 2.74Å
688	P	92.6	Very high	87.8	Confident	46 Å²	46	51 Å²	51	30%	0.299	25%	0.247	S	C	.	.	B	Isolated β-bridge	trans	-62.1	136.2	-175	-25.6	36.1	0	0	0	114.5	D690 V691 F692 I734 L735	P688-D690 WeakPolarHBondContact CB-OD1 3.07Å; P688-D690 PolarHBondContact O-N 3.09Å; P688-V691 HydrophobicContact CB-CB 4.47Å; P688-V691 HydrophobicContact CB-CG2 4.26Å; P688-V691 PolarHBondContact O-N 3.42Å; P688-F692 PolarHBondContact O-N 3.45Å; P688-I734 CarbonylContact C-O 3.56Å; P688-I734 WeakPolarHBondContact CA-O 3.3Å; P688-L735 HydrophobicContact CG-CD2 4.19Å
689	L	93.2	Very high	87.3	Confident	0 Å²	0	54.7 Å²	54.7	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-62.3	-41.8	-176.5	-178	68.6	0	0	0	111.9	V691 F692 I693 W704 V708 A731 I734 L736 I801	L689-V691 VanDerWaalsContact C-N 3.32Å; L689-V691 PolarHBondContact O-N 3.45Å; L689-F692 PolarHBondContact O-N 2.83Å; L689-I693 HydrophobicContact CD1-CD1 4.05Å; L689-I693 HydrophobicContact CD1-CG1 4.2Å; L689-I693 HydrophobicContact CD2-CD1 4.3Å; L689-I693 HydrophobicContact CG-CD1 3.73Å; L689-I693 HydrophobicContact CG-CG1 4.26Å; L689-I693 VanDerWaalsContact O-CG1 3.24Å; L689-I693 WeakPolarHBondContact O-CG1 3.32Å; L689-I693 PolarHBondContact O-N 2.88Å; L689-W704 HydrophobicContact CD1-CH2 3.55Å; L689-W704 HydrophobicContact CD1-CZ2 4.43Å; L689-W704 HydrophobicContact CD1-CZ3 4.31Å; L689-V708 HydrophobicContact CD2-CG1 3.79Å; L689-A731 HydrophobicContact CB-CB 4.34Å; L689-A731 WeakPolarHBondContact CB-O 3.38Å; L689-A731 HydrophobicContact CD2-CB 4.23Å; L689-A731 HydrophobicContact CG-CB 4.47Å; L689-A731 PolarHBondContact N-O 3.45Å; L689-I734 HydrophobicContact CB-CB 4Å; L689-I734 HydrophobicContact CB-CG2 4.09Å; L689-I734 VanDerWaalsContact CB-O 3.26Å; L689-I734 WeakPolarHBondContact CB-O 3.32Å; L689-I734 HydrophobicContact CD2-CB 4.04Å; L689-I734 HydrophobicContact CD2-CD1 4.23Å; L689-I734 HydrophobicContact CD2-CG2 3.78Å; L689-I734 HydrophobicContact CG-CG2 4.48Å; L689-I734 PolarHBondContact N-O 3.29Å; L689-L736 HydrophobicContact CD1-CD1 4.27Å; L689-I801 HydrophobicContact CD2-CD1 4.03Å; L689-I801 HydrophobicContact CD2-CG1 4Å
690	D	89.8	Confident	87	Confident	14 Å²	14	55.3 Å²	55.3	8%	0.075	28%	0.275	C	S	.	.	H	α-helix	trans	-61.2	-40.6	179.7	73.2	-45.4	0	0	0	112.2	P688 R694 A731 K732	P688-D690 WeakPolarHBondContact CB-OD1 3.07Å; P688-D690 PolarHBondContact O-N 3.09Å; D690-R694 WeakPolarHBondContact O-CG 3.45Å; D690-R694 VanDerWaalsContact O-CZ 3.25Å; D690-R694 PolarHBondContact O-N 2.68Å; D690-R694 PolarHBondContact O-NE 3.37Å; D690-R694 IonicContact OD2-CZ 2.62Å; D690-R694 IonicContact OD2-NH1 2.7Å; D690-R694 PolarHBondContact OD2-NH1 2.8Å; D690-R694 IonicContact OD2-NH2 3.68Å; D690-R694 PolarHBondContact OD2-NH2 3.3Å; D690-A731 HydrophobicContact CB-CB 3.85Å; D690-K732 WeakPolarHBondContact OD1-CA 2.96Å
691	V	89.4	Confident	86.7	Confident	44 Å²	44	58.6 Å²	58.6	27%	0.267	30%	0.298	S	S	.	.	H	α-helix	trans	-68.7	-40.9	175.2	176.9	0	0	0	0	110.9	P688 L689 R695	P688-V691 HydrophobicContact CB-CB 4.47Å; P688-V691 HydrophobicContact CB-CG2 4.26Å; P688-V691 PolarHBondContact O-N 3.42Å; L689-V691 VanDerWaalsContact C-N 3.32Å; L689-V691 PolarHBondContact O-N 3.45Å; V691-R695 VanDerWaalsContact O-CG 3.26Å; V691-R695 WeakPolarHBondContact O-CG 3.02Å; V691-R695 PolarHBondContact O-N 2.8Å
692	F	90.2	Very high	86.1	Confident	19 Å²	19	63.1 Å²	63.1	8%	0.083	33%	0.327	C	S	.	.	H	α-helix	trans	-62.3	-50.2	178.1	178.2	-91.9	0	0	0	111.8	L686 P688 L689 R694 R695 Q696 W704 L736 D739 L741	L686-F692 HydrophobicContact CB-CD2 4.49Å; L686-F692 HydrophobicContact CD1-CE2 4.46Å; P688-F692 PolarHBondContact O-N 3.45Å; L689-F692 PolarHBondContact O-N 2.83Å; F692-R694 PolarHBondContact O-N 2.96Å; F692-R695 PolarHBondContact O-N 3.17Å; F692-R695 VanDerWaalsContact O-N 3.12Å; F692-Q696 HydrophobicContact CE1-CG 4.22Å; F692-Q696 VanDerWaalsContact CE2-NE2 3.34Å; F692-W704 HydrophobicContact CD1-CH2 4.44Å; F692-W704 HydrophobicContact CD1-CZ2 4.4Å; F692-W704 HydrophobicContact CE1-CH2 4.45Å; F692-W704 HydrophobicContact CE1-CZ2 4.04Å; F692-L736 HydrophobicContact CB-CD2 4.21Å; F692-L736 HydrophobicContact CD1-CD2 3.37Å; F692-L736 HydrophobicContact CD2-CD2 3.68Å; F692-L736 HydrophobicContact CE1-CD2 3.5Å; F692-L736 VanDerWaalsContact CE1-CD2 3.5Å; F692-L736 HydrophobicContact CE2-CD2 3.79Å; F692-L736 HydrophobicContact CG-CD2 3.46Å; F692-L736 VanDerWaalsContact CG-CD2 3.46Å; F692-L736 HydrophobicContact CZ-CD2 3.71Å; F692-D739 HydrophobicContact CE1-CB 4.32Å; F692-D739 HydrophobicContact CE2-CB 3.89Å; F692-D739 HydrophobicContact CZ-CB 3.45Å; F692-D739 VanDerWaalsContact CZ-CB 3.45Å; F692-L741 HydrophobicContact CZ-CD1 3.96Å
693	I	89.3	Confident	85.6	Confident	5 Å²	5	67.1 Å²	67.1	3%	0.026	34%	0.342	C	S	.	.	H	α-helix	trans	-61.5	-44.9	-177.5	-61.5	168.5	0	0	0	110.4	L689 R695 Q696 L700 W704 I801 D804	L689-I693 HydrophobicContact CD1-CD1 4.05Å; L689-I693 HydrophobicContact CD1-CG1 4.2Å; L689-I693 HydrophobicContact CD2-CD1 4.3Å; L689-I693 HydrophobicContact CG-CD1 3.73Å; L689-I693 HydrophobicContact CG-CG1 4.26Å; L689-I693 VanDerWaalsContact O-CG1 3.24Å; L689-I693 WeakPolarHBondContact O-CG1 3.32Å; L689-I693 PolarHBondContact O-N 2.88Å; I693-R695 PolarHBondContact O-N 3.43Å; I693-Q696 WeakPolarHBondContact O-CB 3.41Å; I693-Q696 PolarHBondContact O-N 2.86Å; I693-Q696 VanDerWaalsContact O-N 3.11Å; I693-L700 HydrophobicContact CB-CD1 4.25Å; I693-L700 HydrophobicContact CG1-CD1 3.77Å; I693-L700 HydrophobicContact CG2-CD1 3.91Å; I693-W704 HydrophobicContact CD1-CZ3 4.29Å; I693-W704 HydrophobicContact CG1-CH2 4.2Å; I693-W704 HydrophobicContact CG1-CZ3 4.28Å; I693-I801 HydrophobicContact CD1-CG1 4.4Å; I693-D804 VanDerWaalsContact CG2-CA 3.4Å; I693-D804 HydrophobicContact CG2-CB 3.98Å; I693-D804 WeakPolarHBondContact CG2-O 3.43Å
694	R	87.7	Confident	85.4	Confident	105 Å²	105	64.9 Å²	64.9	40%	0.396	33%	0.333	S	S	.	.	H	α-helix	trans	-65.4	-18	178.3	-72.1	-172.4	-61	-98.4	-2.7	114.6	D690 F692 G805	D690-R694 WeakPolarHBondContact O-CG 3.45Å; D690-R694 VanDerWaalsContact O-CZ 3.25Å; D690-R694 PolarHBondContact O-N 2.68Å; D690-R694 PolarHBondContact O-NE 3.37Å; D690-R694 IonicContact OD2-CZ 2.62Å; D690-R694 IonicContact OD2-NH1 2.7Å; D690-R694 PolarHBondContact OD2-NH1 2.8Å; D690-R694 IonicContact OD2-NH2 3.68Å; D690-R694 PolarHBondContact OD2-NH2 3.3Å; F692-R694 PolarHBondContact O-N 2.96Å; R694-G805 WeakPolarHBondContact CD-O 3.34Å; R694-G805 PolarHBondContact NH1-O 2.82Å
695	R	88.1	Confident	85.3	Confident	190 Å²	190	65.9 Å²	65.9	72%	0.717	34%	0.336	S	S	*	.	H	α-helix	trans	-85.5	-12.8	177	-75.9	173.4	179.4	-179.5	2.3	112.8	V691 F692 I693	V691-R695 VanDerWaalsContact O-CG 3.26Å; V691-R695 WeakPolarHBondContact O-CG 3.02Å; V691-R695 PolarHBondContact O-N 2.8Å; F692-R695 PolarHBondContact O-N 3.17Å; F692-R695 VanDerWaalsContact O-N 3.12Å; I693-R695 PolarHBondContact O-N 3.43Å
696	Q	85.9	Confident	85.3	Confident	59 Å²	59	60.5 Å²	60.5	28%	0.276	31%	0.311	S	S	.	.			trans	-72.1	134.6	-179.1	-60.2	-56.1	-36.5	0	0	111.2	F692 I693 L700	F692-Q696 HydrophobicContact CE1-CG 4.22Å; F692-Q696 VanDerWaalsContact CE2-NE2 3.34Å; I693-Q696 WeakPolarHBondContact O-CB 3.41Å; I693-Q696 PolarHBondContact O-N 2.86Å; I693-Q696 VanDerWaalsContact O-N 3.11Å; Q696-L700 HydrophobicContact CG-CD1 4.42Å; Q696-L700 HydrophobicContact CG-CD2 3.99Å; Q696-L700 HydrophobicContact CG-CG 4.23Å
697	Q	72.1	Confident	85.2	Confident	202 Å²	202	58 Å²	58	94%	0.944	30%	0.298	S	S	*	.	S	Bend	trans	-79.9	-26	-179.7	-64.8	-177.3	7	0	0	112.3
698	S	78.3	Confident	85.2	Confident	79 Å²	79	57.3 Å²	57.3	55%	0.552	29%	0.29	S	S	*	.	S	Bend	trans	-116.1	147.2	174.4	51.9	0	0	0	0	110.3	L700	S698-L700 PolarHBondContact O-N 3.4Å
699	P	78	Confident	85.1	Confident	102 Å²	102	55.1 Å²	55.1	66%	0.662	28%	0.276	S	S	*	.	P	Polyproline II helix	trans	-62.7	134.3	176.8	24.1	-31.3	0	0	0	110.3
700	L	85.2	Confident	84.8	Confident	14 Å²	14	57.7 Å²	57.7	7%	0.073	29%	0.287	C	S	.	.	P	Polyproline II helix	trans	-65.3	143.8	-179.9	-67.8	173.6	0	0	0	110.8	I693 Q696 S698 W704 K705 L741	I693-L700 HydrophobicContact CB-CD1 4.25Å; I693-L700 HydrophobicContact CG1-CD1 3.77Å; I693-L700 HydrophobicContact CG2-CD1 3.91Å; Q696-L700 HydrophobicContact CG-CD1 4.42Å; Q696-L700 HydrophobicContact CG-CD2 3.99Å; Q696-L700 HydrophobicContact CG-CG 4.23Å; S698-L700 PolarHBondContact O-N 3.4Å; L700-W704 HydrophobicContact CB-CE3 4.22Å; L700-W704 HydrophobicContact CD1-CD2 4.11Å; L700-W704 HydrophobicContact CD1-CE3 3.65Å; L700-W704 HydrophobicContact CD1-CH2 3.71Å; L700-W704 HydrophobicContact CD1-CZ2 4.19Å; L700-W704 HydrophobicContact CD1-CZ3 3.46Å; L700-W704 VanDerWaalsContact CD1-CZ3 3.46Å; L700-W704 HydrophobicContact CG-CE3 4.45Å; L700-K705 HydrophobicContact CB-CG 4.5Å; L700-K705 WeakPolarHBondContact O-CE 3.34Å; L700-L741 HydrophobicContact CD2-CD2 3.48Å; L700-L741 VanDerWaalsContact CD2-CD2 3.48Å
701	S	83.3	Confident	84.8	Confident	69 Å²	69	58 Å²	58	48%	0.483	29%	0.288	S	S	.	.	P	Polyproline II helix	trans	-62.3	148.8	-178.9	76.6	0	0	0	0	111.7	R703 W704 K705	S701-R703 PolarHBondContact O-N 2.71Å; S701-W704 WeakPolarHBondContact O-CB 3.39Å; S701-W704 PolarHBondContact O-N 2.97Å; S701-W704 VanDerWaalsContact O-N 3.11Å; S701-W704 WeakPolarHBondContact OG-CB 3.43Å; S701-W704 PolarHBondContact OG-N 3.2Å; S701-K705 PolarHBondContact O-N 3.39Å; S701-K705 VanDerWaalsContact O-N 3.17Å
702	T	78.6	Confident	85	Confident	101 Å²	101	56 Å²	56	62%	0.62	28%	0.276	S	S	*	.	H	α-helix	trans	-58.2	-36.5	175.7	-50.4	0	0	0	0	111.6	W704 K705 F706	T702-W704 PolarHBondContact O-N 2.98Å; T702-K705 PolarHBondContact O-N 3.04Å; T702-F706 WeakPolarHBondContact O-CB 3.49Å; T702-F706 PolarHBondContact O-N 3.06Å
703	R	78.4	Confident	85.1	Confident	91 Å²	91	55 Å²	55	34%	0.343	27%	0.272	S	S	.	.	H	α-helix	trans	-58.7	-46.3	175.3	179.7	-178.1	173.8	133	6.9	111.5	S701 F706 Q707 E747 I870	S701-R703 PolarHBondContact O-N 2.71Å; R703-F706 WeakPolarHBondContact O-CB 3.31Å; R703-F706 PolarHBondContact O-N 2.65Å; R703-Q707 PolarHBondContact O-N 3.29Å; R703-E747 IonicContact NH2-OE1 3.61Å; R703-E747 PolarHBondContact NH2-OE1 2.82Å; R703-E747 VanDerWaalsContact NH2-OE1 3.09Å; R703-I870 HydrophobicContact CG-CD1 4.34Å; R703-I870 HydrophobicContact CG-CG1 4.35Å
704	W	86.1	Confident	85	Confident	7 Å²	7	56.1 Å²	56.1	3%	0.027	28%	0.28	C	S	.	.	H	α-helix	trans	-60.3	-48.6	179.1	-174	100.1	0	0	0	111.7	L689 F692 I693 L700 S701 T702 F706 Q707 V708 L736 D739 P748	L689-W704 HydrophobicContact CD1-CH2 3.55Å; L689-W704 HydrophobicContact CD1-CZ2 4.43Å; L689-W704 HydrophobicContact CD1-CZ3 4.31Å; F692-W704 HydrophobicContact CD1-CH2 4.44Å; F692-W704 HydrophobicContact CD1-CZ2 4.4Å; F692-W704 HydrophobicContact CE1-CH2 4.45Å; F692-W704 HydrophobicContact CE1-CZ2 4.04Å; I693-W704 HydrophobicContact CD1-CZ3 4.29Å; I693-W704 HydrophobicContact CG1-CH2 4.2Å; I693-W704 HydrophobicContact CG1-CZ3 4.28Å; L700-W704 HydrophobicContact CB-CE3 4.22Å; L700-W704 HydrophobicContact CD1-CD2 4.11Å; L700-W704 HydrophobicContact CD1-CE3 3.65Å; L700-W704 HydrophobicContact CD1-CH2 3.71Å; L700-W704 HydrophobicContact CD1-CZ2 4.19Å; L700-W704 HydrophobicContact CD1-CZ3 3.46Å; L700-W704 VanDerWaalsContact CD1-CZ3 3.46Å; L700-W704 HydrophobicContact CG-CE3 4.45Å; S701-W704 WeakPolarHBondContact O-CB 3.39Å; S701-W704 PolarHBondContact O-N 2.97Å; S701-W704 VanDerWaalsContact O-N 3.11Å; S701-W704 WeakPolarHBondContact OG-CB 3.43Å; S701-W704 PolarHBondContact OG-N 3.2Å; T702-W704 PolarHBondContact O-N 2.98Å; W704-F706 PolarHBondContact O-N 3.34Å; W704-Q707 PolarHBondContact O-N 2.97Å; W704-V708 HydrophobicContact CD2-CG2 4.25Å; W704-V708 HydrophobicContact CE3-CG2 3.96Å; W704-V708 HydrophobicContact CH2-CG2 3.85Å; W704-V708 HydrophobicContact CZ2-CG2 4.1Å; W704-V708 HydrophobicContact CZ3-CG2 3.74Å; W704-V708 PolarHBondContact O-N 3.37Å; W704-L736 HydrophobicContact CZ2-CD1 4.08Å; W704-L736 HydrophobicContact CZ2-CD2 4.17Å; W704-D739 PolarHBondContact NE1-O 2.93Å; W704-P748 HydrophobicContact CD2-CG 4.35Å; W704-P748 HydrophobicContact CG-CG 4.13Å; W704-P748 HydrophobicContact CZ2-CB 4.2Å
705	K	86.5	Confident	85.1	Confident	29 Å²	29	51.1 Å²	51.1	13%	0.126	26%	0.261	C	S	.	.	H	α-helix	trans	-58.9	-37.4	178	-66.5	177.9	177.4	-179.6	0	111.2	L700 S701 T702 A709 I801 C802 D804	L700-K705 HydrophobicContact CB-CG 4.5Å; L700-K705 WeakPolarHBondContact O-CE 3.34Å; S701-K705 PolarHBondContact O-N 3.39Å; S701-K705 VanDerWaalsContact O-N 3.17Å; T702-K705 PolarHBondContact O-N 3.04Å; K705-A709 PolarHBondContact O-N 3.23Å; K705-I801 HydrophobicContact CB-CG2 3.81Å; K705-I801 HydrophobicContact CD-CG2 4.39Å; K705-I801 WeakPolarHBondContact CD-O 3.29Å; K705-I801 VanDerWaalsContact CE-O 3.27Å; K705-I801 WeakPolarHBondContact CE-O 3.28Å; K705-I801 HydrophobicContact CG-CG2 3.81Å; K705-C802 PolarHBondContact NZ-O 3.01Å; K705-D804 VanDerWaalsContact CE-OD1 3.23Å; K705-D804 WeakPolarHBondContact CE-OD1 3.35Å; K705-D804 IonicContact NZ-OD1 2.74Å; K705-D804 PolarHBondContact NZ-OD1 3.44Å; K705-D804 IonicContact NZ-OD2 2.71Å
706	F	82.7	Confident	85.3	Confident	17 Å²	17	42.1 Å²	42.1	8%	0.075	23%	0.227	C	C	.	.	H	α-helix	trans	-65.5	-46.8	177.8	-155	-93.6	0	0	0	113.1	T702 R703 W704 V708 A709 K710 L860 L863 E864	T702-F706 WeakPolarHBondContact O-CB 3.49Å; T702-F706 PolarHBondContact O-N 3.06Å; R703-F706 WeakPolarHBondContact O-CB 3.31Å; R703-F706 PolarHBondContact O-N 2.65Å; W704-F706 PolarHBondContact O-N 3.34Å; F706-V708 VanDerWaalsContact C-N 3.3Å; F706-V708 PolarHBondContact O-N 2.91Å; F706-A709 WeakPolarHBondContact O-CB 3.47Å; F706-A709 PolarHBondContact O-N 2.73Å; F706-A709 VanDerWaalsContact O-N 3.16Å; F706-K710 PolarHBondContact O-N 3.29Å; F706-L860 HydrophobicContact CD2-CD2 4.43Å; F706-L860 HydrophobicContact CE1-CB 4.06Å; F706-L860 HydrophobicContact CE1-CD2 4.34Å; F706-L860 VanDerWaalsContact CE1-O 3.25Å; F706-L860 WeakPolarHBondContact CE1-O 3.43Å; F706-L860 HydrophobicContact CE2-CD2 3.56Å; F706-L860 HydrophobicContact CZ-CB 3.69Å; F706-L860 HydrophobicContact CZ-CD2 3.49Å; F706-L860 VanDerWaalsContact CZ-CD2 3.49Å; F706-L860 HydrophobicContact CZ-CG 4.2Å; F706-L860 WeakPolarHBondContact CZ-O 3.45Å; F706-L863 HydrophobicContact CE2-CB 3.93Å; F706-L863 HydrophobicContact CE2-CD1 4.35Å; F706-L863 HydrophobicContact CZ-CB 3.78Å; F706-E864 HydrophobicContact CD1-CB 4.25Å; F706-E864 HydrophobicContact CE1-CB 3.76Å; F706-E864 HydrophobicContact CE1-CG 4.46Å
707	Q	84.4	Confident	85.4	Confident	10 Å²	10	40 Å²	40	5%	0.047	22%	0.219	C	C	.	.	H	α-helix	trans	-60.8	-41.5	177.8	-69.8	-57.7	-3.5	0	0	111.6	R703 W704 A709 K710 Q711 E747 P748 E864	R703-Q707 PolarHBondContact O-N 3.29Å; W704-Q707 PolarHBondContact O-N 2.97Å; Q707-A709 PolarHBondContact O-N 3.41Å; Q707-K710 PolarHBondContact O-N 3.28Å; Q707-Q711 WeakPolarHBondContact O-CG 3.43Å; Q707-Q711 PolarHBondContact O-N 2.83Å; Q707-E747 PolarHBondContact NE2-OE1 3.27Å; Q707-P748 HydrophobicContact CB-CG 3.81Å; Q707-E864 PolarHBondContact NE2-OE1 3.4Å
708	V	90.1	Very high	85.8	Confident	0 Å²	0	32.9 Å²	32.9	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-61.6	-44.4	174.8	173.9	0	0	0	0	111.5	L689 W704 F706 K710 Q711 L712 P748 I750 I801	L689-V708 HydrophobicContact CD2-CG1 3.79Å; W704-V708 HydrophobicContact CD2-CG2 4.25Å; W704-V708 HydrophobicContact CE3-CG2 3.96Å; W704-V708 HydrophobicContact CH2-CG2 3.85Å; W704-V708 HydrophobicContact CZ2-CG2 4.1Å; W704-V708 HydrophobicContact CZ3-CG2 3.74Å; W704-V708 PolarHBondContact O-N 3.37Å; F706-V708 VanDerWaalsContact C-N 3.3Å; F706-V708 PolarHBondContact O-N 2.91Å; V708-K710 VanDerWaalsContact C-N 3.34Å; V708-K710 PolarHBondContact O-N 2.9Å; V708-Q711 PolarHBondContact O-N 3.3Å; V708-L712 WeakPolarHBondContact O-CB 3.39Å; V708-L712 PolarHBondContact O-N 2.79Å; V708-P748 HydrophobicContact CG2-CB 4.07Å; V708-P748 HydrophobicContact CG2-CG 4.1Å; V708-I750 HydrophobicContact CG1-CG1 4.49Å; V708-I750 HydrophobicContact CG1-CG2 3.93Å; V708-I750 HydrophobicContact CG2-CG2 4.08Å; V708-I801 HydrophobicContact CG1-CD1 3.96Å
709	A	90.3	Very high	86.1	Confident	1 Å²	1	29.2 Å²	29.2	1%	0.008	16%	0.158	C	C	.	.	H	α-helix	trans	-60.9	-41	177.5	0	0	0	0	0	112.5	K705 F706 Q707 L712 A713 L798	K705-A709 PolarHBondContact O-N 3.23Å; F706-A709 WeakPolarHBondContact O-CB 3.47Å; F706-A709 PolarHBondContact O-N 2.73Å; F706-A709 VanDerWaalsContact O-N 3.16Å; Q707-A709 PolarHBondContact O-N 3.41Å; A709-L712 PolarHBondContact O-N 2.96Å; A709-A713 VanDerWaalsContact O-CB 3.32Å; A709-A713 WeakPolarHBondContact O-CB 3.45Å; A709-A713 PolarHBondContact O-N 3.41Å; A709-L798 HydrophobicContact CB-CD1 3.64Å
710	K	85.6	Confident	86.5	Confident	53 Å²	53	25.9 Å²	25.9	23%	0.23	13%	0.133	C	C	.	.	H	α-helix	trans	-64.7	-44.8	177.4	-179.3	168.7	170.6	160.9	0	112.1	F706 Q707 V708 L712 A713 S714 D861 E864	F706-K710 PolarHBondContact O-N 3.29Å; Q707-K710 PolarHBondContact O-N 3.28Å; V708-K710 VanDerWaalsContact C-N 3.34Å; V708-K710 PolarHBondContact O-N 2.9Å; K710-L712 VanDerWaalsContact C-N 3.34Å; K710-L712 PolarHBondContact O-N 3.46Å; K710-A713 PolarHBondContact O-N 3.07Å; K710-S714 WeakPolarHBondContact O-CB 3.27Å; K710-S714 PolarHBondContact O-N 3.16Å; K710-D861 WeakPolarHBondContact CE-OD1 3.25Å; K710-D861 IonicContact NZ-OD1 2.71Å; K710-D861 PolarHBondContact NZ-OD1 3.28Å; K710-E864 IonicContact NZ-OE2 3.27Å; K710-E864 PolarHBondContact NZ-OE2 3.3Å
711	Q	90.6	Very high	86	Confident	20 Å²	20	28.5 Å²	28.5	9%	0.093	15%	0.148	C	C	.	.	H	α-helix	trans	-63.6	-40.3	176.7	-68.7	179.2	24.6	0	0	112.2	H662 Q707 V708 S714 A715 P748 I750	H662-Q711 VanDerWaalsContact CE1-CG 3.48Å; H662-Q711 WeakPolarHBondContact CE1-CG 3.45Å; H662-Q711 PolarHBondContact CE1-OE1 2.92Å; H662-Q711 PolarHBondContact ND1-OE1 3.24Å; Q707-Q711 WeakPolarHBondContact O-CG 3.43Å; Q707-Q711 PolarHBondContact O-N 2.83Å; V708-Q711 PolarHBondContact O-N 3.3Å; Q711-S714 PolarHBondContact O-N 2.77Å; Q711-A715 PolarHBondContact O-N 3.39Å; Q711-A715 VanDerWaalsContact O-N 3.08Å; Q711-P748 PolarHBondContact NE2-O 3.17Å; Q711-I750 HydrophobicContact CB-CD1 4.03Å; Q711-I750 HydrophobicContact CB-CG1 3.62Å
712	L	94.1	Very high	85.3	Confident	2 Å²	2	28 Å²	28	1%	0.01	14%	0.137	C	C	.	.	H	α-helix	trans	-65.6	-46.9	175.7	-179.2	63.6	0	0	0	111.3	V708 A709 K710 S714 A715 L716 V729 I734 I750 L752 F794 T797	V708-L712 WeakPolarHBondContact O-CB 3.39Å; V708-L712 PolarHBondContact O-N 2.79Å; A709-L712 PolarHBondContact O-N 2.96Å; K710-L712 VanDerWaalsContact C-N 3.34Å; K710-L712 PolarHBondContact O-N 3.46Å; L712-S714 VanDerWaalsContact C-N 3.28Å; L712-S714 PolarHBondContact O-N 2.69Å; L712-A715 PolarHBondContact O-N 3.44Å; L712-L716 HydrophobicContact CD1-CD1 4.12Å; L712-L716 HydrophobicContact CD1-CG 4.35Å; L712-L716 HydrophobicContact CG-CD1 3.99Å; L712-L716 WeakPolarHBondContact O-CG 3.31Å; L712-L716 PolarHBondContact O-N 3.22Å; L712-V729 HydrophobicContact CD1-CG1 4.24Å; L712-V729 HydrophobicContact CD2-CG1 4.33Å; L712-I734 HydrophobicContact CD1-CD1 3.81Å; L712-I734 HydrophobicContact CD1-CG1 4.19Å; L712-I734 HydrophobicContact CD2-CD1 3.58Å; L712-I734 HydrophobicContact CG-CD1 4.24Å; L712-I750 HydrophobicContact CB-CD1 4.03Å; L712-L752 HydrophobicContact CD1-CD1 4.29Å; L712-F794 HydrophobicContact CB-CE2 4.21Å; L712-F794 HydrophobicContact CD2-CD2 3.62Å; L712-F794 HydrophobicContact CD2-CE2 3.85Å; L712-F794 HydrophobicContact CG-CD2 3.85Å; L712-F794 HydrophobicContact CG-CE2 3.99Å; L712-T797 HydrophobicContact CD2-CG2 4.1Å
713	A	91.4	Very high	85.2	Confident	0 Å²	0	31.2 Å²	31.2	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-61.3	-37.2	177.5	0	0	0	0	0	111.9	A709 K710 L716 S717 F794 I856 V857 L860	A709-A713 VanDerWaalsContact O-CB 3.32Å; A709-A713 WeakPolarHBondContact O-CB 3.45Å; A709-A713 PolarHBondContact O-N 3.41Å; K710-A713 PolarHBondContact O-N 3.07Å; A713-L716 PolarHBondContact O-N 2.84Å; A713-S717 VanDerWaalsContact O-CB 3.3Å; A713-S717 WeakPolarHBondContact O-CB 3.49Å; A713-S717 PolarHBondContact O-N 3.38Å; A713-F794 HydrophobicContact CB-CE2 3.9Å; A713-F794 HydrophobicContact CB-CZ 4.01Å; A713-I856 HydrophobicContact CB-CG2 4.14Å; A713-V857 HydrophobicContact CB-CG2 3.73Å; A713-L860 HydrophobicContact CB-CD1 3.85Å
714	S	87.4	Confident	85.4	Confident	28 Å²	28	28.3 Å²	28.3	20%	0.196	13%	0.133	C	C	.	.	H	α-helix	trans	-62.3	-46.4	173.7	177.6	0	0	0	0	112.1	K710 Q711 L712 L716 S717 Y718	K710-S714 WeakPolarHBondContact O-CB 3.27Å; K710-S714 PolarHBondContact O-N 3.16Å; Q711-S714 PolarHBondContact O-N 2.77Å; L712-S714 VanDerWaalsContact C-N 3.28Å; L712-S714 PolarHBondContact O-N 2.69Å; S714-L716 PolarHBondContact O-N 3.02Å; S714-S717 PolarHBondContact O-N 3.46Å; S714-Y718 PolarHBondContact O-N 3.01Å; S714-Y718 VanDerWaalsContact O-N 3.07Å
715	A	89.5	Confident	85.6	Confident	0 Å²	0	29.8 Å²	29.8	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-61.5	-43.1	176.2	0	0	0	0	0	112.3	H662 I663 Q711 L712 Y718 L719	H662-A715 HydrophobicContact CB-CB 4.05Å; I663-A715 HydrophobicContact CG1-CB 4.13Å; Q711-A715 PolarHBondContact O-N 3.39Å; Q711-A715 VanDerWaalsContact O-N 3.08Å; L712-A715 PolarHBondContact O-N 3.44Å; A715-Y718 WeakPolarHBondContact O-CB 3.3Å; A715-Y718 PolarHBondContact O-N 2.88Å; A715-L719 PolarHBondContact O-N 3.29Å
716	L	92.7	Very high	85.9	Confident	1 Å²	1	28.7 Å²	28.7	1%	0.005	14%	0.138	C	C	.	.	H	α-helix	trans	-73.6	-32.2	179.9	-63.5	172.5	0	0	0	112.5	L712 A713 S714 Y718 L719 E720 V729 L752 F794 F853	L712-L716 HydrophobicContact CD1-CD1 4.12Å; L712-L716 HydrophobicContact CD1-CG 4.35Å; L712-L716 HydrophobicContact CG-CD1 3.99Å; L712-L716 WeakPolarHBondContact O-CG 3.31Å; L712-L716 PolarHBondContact O-N 3.22Å; A713-L716 PolarHBondContact O-N 2.84Å; S714-L716 PolarHBondContact O-N 3.02Å; L716-Y718 VanDerWaalsContact C-N 3.29Å; L716-Y718 PolarHBondContact O-N 3.33Å; L716-L719 HydrophobicContact CD2-CD1 4.19Å; L716-L719 PolarHBondContact O-N 3.33Å; L716-E720 PolarHBondContact O-N 2.91Å; L716-V729 HydrophobicContact CD1-CG1 4.24Å; L716-V729 HydrophobicContact CD1-CG2 4.36Å; L716-V729 HydrophobicContact CD2-CG2 3.85Å; L716-L752 HydrophobicContact CD2-CD2 3.87Å; L716-F794 HydrophobicContact CD1-CB 3.95Å; L716-F794 HydrophobicContact CD1-CD2 3.73Å; L716-F794 HydrophobicContact CD1-CG 4.24Å; L716-F853 HydrophobicContact CB-CD1 3.72Å; L716-F853 HydrophobicContact CB-CD2 3.93Å; L716-F853 HydrophobicContact CB-CE1 3.48Å; L716-F853 VanDerWaalsContact CB-CE1 3.48Å; L716-F853 HydrophobicContact CB-CE2 3.68Å; L716-F853 HydrophobicContact CB-CG 3.95Å; L716-F853 HydrophobicContact CB-CZ 3.46Å; L716-F853 VanDerWaalsContact CB-CZ 3.46Å; L716-F853 HydrophobicContact CD1-CD1 4.45Å; L716-F853 HydrophobicContact CD1-CE1 3.49Å; L716-F853 VanDerWaalsContact CD1-CE1 3.49Å; L716-F853 HydrophobicContact CD1-CE2 4.47Å; L716-F853 HydrophobicContact CD1-CZ 3.51Å; L716-F853 HydrophobicContact CG-CE1 4.12Å; L716-F853 HydrophobicContact CG-CZ 4.02Å
717	S	87.4	Confident	86.2	Confident	15 Å²	15	28.4 Å²	28.4	11%	0.105	14%	0.14	C	C	.	.	H	α-helix	trans	-61.8	-38.5	169.9	-172.8	0	0	0	0	111.7	A713 S714 E720 D721	A713-S717 VanDerWaalsContact O-CB 3.3Å; A713-S717 WeakPolarHBondContact O-CB 3.49Å; A713-S717 PolarHBondContact O-N 3.38Å; S714-S717 PolarHBondContact O-N 3.46Å; S717-E720 PolarHBondContact O-N 2.96Å; S717-D721 PolarHBondContact O-N 3.37Å
718	Y	82.2	Confident	86.6	Confident	51 Å²	51	29.1 Å²	29.1	20%	0.2	14%	0.143	C	C	.	.	H	α-helix	trans	-64.4	-40.2	174.9	170.5	-91.7	0	0	0	112	V658 S659 H660 I663 S714 A715 L716 K722	V658-Y718 HydrophobicContact CB-CE1 3.92Å; V658-Y718 HydrophobicContact CG1-CE1 4.01Å; S659-Y718 PolarHBondContact N-OH 3.46Å; S659-Y718 PolarHBondContact O-OH 3.5Å; H660-Y718 HydrophobicContact CB-CD1 3.97Å; H660-Y718 HydrophobicContact CB-CE1 4.09Å; H660-Y718 HydrophobicContact CB-CG 4.23Å; I663-Y718 HydrophobicContact CD1-CD1 4.08Å; I663-Y718 HydrophobicContact CD1-CE1 4.43Å; S714-Y718 PolarHBondContact O-N 3.01Å; S714-Y718 VanDerWaalsContact O-N 3.07Å; A715-Y718 WeakPolarHBondContact O-CB 3.3Å; A715-Y718 PolarHBondContact O-N 2.88Å; L716-Y718 VanDerWaalsContact C-N 3.29Å; L716-Y718 PolarHBondContact O-N 3.33Å; Y718-K722 HydrophobicContact CE1-CD 3.89Å; Y718-K722 HydrophobicContact CE2-CD 4.41Å; Y718-K722 PolarHBondContact O-N 3.06Å; Y718-K722 WeakPolarHBondContact OH-CE 3.09Å; Y718-K722 PolarHBondContact OH-NZ 3.11Å
719	L	84.6	Confident	86.8	Confident	3 Å²	3	29.1 Å²	29.1	2%	0.016	14%	0.143	C	C	.	.	H	α-helix	trans	-66.8	-42.4	175.5	-64.7	-178.6	0	0	0	112	V658 I663 A715 L716 D721 K722 K723 L724 H726 L752	V658-L719 HydrophobicContact CG1-CD2 3.63Å; I663-L719 HydrophobicContact CD1-CD2 3.93Å; I663-L719 HydrophobicContact CD1-CG 4.2Å; A715-L719 PolarHBondContact O-N 3.29Å; L716-L719 HydrophobicContact CD2-CD1 4.19Å; L716-L719 PolarHBondContact O-N 3.33Å; L719-D721 PolarHBondContact O-N 3.21Å; L719-K722 CarbonylContact O-C 3.59Å; L719-K722 WeakPolarHBondContact O-CA 3.29Å; L719-K722 PolarHBondContact O-N 3.18Å; L719-K722 VanDerWaalsContact O-N 3.1Å; L719-K723 PolarHBondContact O-N 2.98Å; L719-L724 HydrophobicContact CD2-CB 4.32Å; L719-L724 PolarHBondContact O-N 3.31Å; L719-H726 HydrophobicContact CD1-CB 4Å; L719-L752 HydrophobicContact CD1-CD2 4.48Å
720	E	85	Confident	87	Confident	31 Å²	31	29.3 Å²	29.3	15%	0.145	15%	0.145	C	C	.	.	H	α-helix	trans	-58	-45.5	175.3	175	166.8	-113.1	0	0	111.5	L716 S717 K722 K723 V787 K791 F853	L716-E720 PolarHBondContact O-N 2.91Å; S717-E720 PolarHBondContact O-N 2.96Å; E720-K722 PolarHBondContact O-N 3.13Å; E720-K723 PolarHBondContact O-N 3.01Å; E720-V787 HydrophobicContact CB-CG1 3.82Å; E720-V787 HydrophobicContact CG-CG1 3.8Å; E720-K791 WeakPolarHBondContact OE1-CE 3.47Å; E720-K791 IonicContact OE1-NZ 3.83Å; E720-K791 PolarHBondContact OE1-NZ 2.99Å; E720-F853 HydrophobicContact CB-CD2 4.22Å; E720-F853 WeakPolarHBondContact OE2-CB 3.33Å; E720-F853 PolarHBondContact OE2-N 3.16Å
721	D	74.6	Confident	87.3	Confident	70 Å²	70	26.8 Å²	26.8	37%	0.374	13%	0.134	S	C	.	.	H	α-helix	trans	-62.7	-31.5	176.9	-83.6	-6.4	0	0	0	112.3	Q398 S717 L719 K723	Q398-D721 PolarHBondContact NE2-OD2 2.97Å; S717-D721 PolarHBondContact O-N 3.37Å; L719-D721 PolarHBondContact O-N 3.21Å; D721-K723 VanDerWaalsContact C-N 3.34Å
722	K	69.6	Low	87.3	Confident	59 Å²	59	30.4 Å²	30.4	26%	0.257	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.2	-3.5	174	-75.5	-163.3	162.6	-167	0	114.2	Q657 Y718 L719 E720 L724	Q657-K722 PolarHBondContact O-NZ 2.64Å; Y718-K722 HydrophobicContact CE1-CD 3.89Å; Y718-K722 HydrophobicContact CE2-CD 4.41Å; Y718-K722 PolarHBondContact O-N 3.06Å; Y718-K722 WeakPolarHBondContact OH-CE 3.09Å; Y718-K722 PolarHBondContact OH-NZ 3.11Å; L719-K722 CarbonylContact O-C 3.59Å; L719-K722 WeakPolarHBondContact O-CA 3.29Å; L719-K722 PolarHBondContact O-N 3.18Å; L719-K722 VanDerWaalsContact O-N 3.1Å; E720-K722 PolarHBondContact O-N 3.13Å; K722-L724 HydrophobicContact CB-CD1 4.09Å; K722-L724 HydrophobicContact CB-CG 4.06Å; K722-L724 HydrophobicContact CD-CD1 4.34Å; K722-L724 PolarHBondContact O-N 3.43Å
723	K	75.8	Confident	87.3	Confident	167 Å²	167	31.1 Å²	31.1	73%	0.726	15%	0.153	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.6	29.3	-172.3	-53.8	-177	179.2	-177.3	0	113.3	L719 E720 D721	L719-K723 PolarHBondContact O-N 2.98Å; E720-K723 PolarHBondContact O-N 3.01Å; D721-K723 VanDerWaalsContact C-N 3.34Å
724	L	83.2	Confident	87.5	Confident	31 Å²	31	31.1 Å²	31.1	16%	0.162	15%	0.153	C	C	.	.			trans	-95.9	143.7	173.5	-64.3	174.8	0	0	0	109.1	M654 V658 L719 K722	M654-L724 HydrophobicContact CG-CD1 4.42Å; M654-L724 HydrophobicContact CG-CD2 4.37Å; V658-L724 HydrophobicContact CG1-CD1 3.58Å; L719-L724 HydrophobicContact CD2-CB 4.32Å; L719-L724 PolarHBondContact O-N 3.31Å; K722-L724 HydrophobicContact CB-CD1 4.09Å; K722-L724 HydrophobicContact CB-CG 4.06Å; K722-L724 HydrophobicContact CD-CD1 4.34Å; K722-L724 PolarHBondContact O-N 3.43Å
725	V	90	Very high	87.8	Confident	37 Å²	37	30.7 Å²	30.7	22%	0.224	15%	0.148	C	C	.	.			trans	-115.5	122.3	-179	-175.8	0	0	0	0	108.6	M654 L785 S786 V787	M654-V725 VanDerWaalsContact SD-O 3.33Å; V725-L785 HydrophobicContact CG1-CD1 3.6Å; V725-L785 HydrophobicContact CG1-CG 3.93Å; V725-S786 WeakPolarHBondContact CG1-O 2.94Å; V725-V787 HydrophobicContact CG2-CG2 3.88Å
726	H	92.6	Very high	87.9	Confident	7 Å²	7	30.7 Å²	30.7	3%	0.032	15%	0.148	C	C	.	.			trans	-71.9	-43.5	176.7	-170.8	-87.9	0	0	0	110.9	L719 F728 V729 S753 P755 D790	L719-H726 HydrophobicContact CD1-CB 4Å; H726-F728 PolarHBondContact CE1-O 3.46Å; H726-F728 VanDerWaalsContact CE1-O 3.23Å; H726-F728 PolarHBondContact ND1-O 3.29Å; H726-F728 PolarHBondContact O-N 3.45Å; H726-F728 VanDerWaalsContact O-N 3.1Å; H726-V729 HydrophobicContact CB-CG2 4.14Å; H726-S753 PolarHBondContact NE2-O 3.25Å; H726-P755 WeakPolarHBondContact O-CB 3.45Å; H726-P755 VanDerWaalsContact O-CG 3.23Å; H726-P755 WeakPolarHBondContact O-CG 3.29Å; H726-D790 PolarHBondContact N-OD2 2.71Å
727	G	88.9	Confident	87.6	Confident	11 Å²	11	31.3 Å²	31.3	11%	0.113	15%	0.153	C	C	.	.			trans	77.4	-14.2	171.4	0	0	0	0	0	115.9	D790	G727-D790 WeakPolarHBondContact CA-OD1 3.45Å; G727-D790 PolarHBondContact N-OD1 3.01Å
728	F	92.6	Very high	87.6	Confident	24 Å²	24	31.5 Å²	31.5	11%	0.105	15%	0.152	C	C	.	.			trans	-148.9	72.9	175.9	-169.8	-132.7	0	0	0	113.4	H726 N733 P755 R770 W773 I774	H726-F728 PolarHBondContact CE1-O 3.46Å; H726-F728 VanDerWaalsContact CE1-O 3.23Å; H726-F728 PolarHBondContact ND1-O 3.29Å; H726-F728 PolarHBondContact O-N 3.45Å; H726-F728 VanDerWaalsContact O-N 3.1Å; F728-N733 VanDerWaalsContact CD1-ND2 3.27Å; F728-N733 WeakPolarHBondContact CD1-ND2 3.37Å; F728-N733 PolarHBondContact O-ND2 3.33Å; F728-P755 HydrophobicContact CB-CB 4Å; F728-R770 HydrophobicContact CE2-CB 3.98Å; F728-R770 HydrophobicContact CE2-CG 3.85Å; F728-R770 HydrophobicContact CZ-CG 3.94Å; F728-W773 HydrophobicContact CE2-CB 4.09Å; F728-I774 HydrophobicContact CD2-CG1 4.3Å
729	V	95	Very high	87.7	Confident	1 Å²	1	30.7 Å²	30.7	1%	0.006	15%	0.151	C	C	.	.			trans	-86.9	118.6	177	-173.6	0	0	0	0	109.7	L712 L716 H726 D790 T797	L712-V729 HydrophobicContact CD1-CG1 4.24Å; L712-V729 HydrophobicContact CD2-CG1 4.33Å; L716-V729 HydrophobicContact CD1-CG1 4.24Å; L716-V729 HydrophobicContact CD1-CG2 4.36Å; L716-V729 HydrophobicContact CD2-CG2 3.85Å; H726-V729 HydrophobicContact CB-CG2 4.14Å; V729-D790 HydrophobicContact CG2-CB 4.44Å; V729-T797 PolarHBondContact O-OG1 3.33Å; V729-T797 VanDerWaalsContact O-OG1 3.07Å
730	C	94	Very high	87.5	Confident	5 Å²	5	31.2 Å²	31.2	3%	0.034	16%	0.157	C	C	.	.			trans	-152.7	159.9	175.5	62.7	0	0	0	0	109.9	K732 N733 I734 W773 T797	C730-K732 PolarHBondContact O-N 2.97Å; C730-N733 PolarHBondContact O-N 3.11Å; C730-I734 PolarHBondContact O-N 3.06Å; C730-W773 HydrophobicContact CB-CB 4.4Å; C730-W773 HydrophobicContact CB-CD2 4.21Å; C730-W773 HydrophobicContact CB-CG 3.77Å; C730-T797 VanDerWaalsContact CA-OG1 3.3Å; C730-T797 WeakPolarHBondContact CA-OG1 3.32Å
731	A	92.3	Very high	87.3	Confident	0 Å²	0	33.2 Å²	33.2	0%	0	17%	0.169	C	C	.	.	G	3₁₀ helix	trans	-65.8	-22.3	-177.5	0	0	0	0	0	112.9	L689 D690 N733 I734 T797 E800	L689-A731 HydrophobicContact CB-CB 4.34Å; L689-A731 WeakPolarHBondContact CB-O 3.38Å; L689-A731 HydrophobicContact CD2-CB 4.23Å; L689-A731 HydrophobicContact CG-CB 4.47Å; L689-A731 PolarHBondContact N-O 3.45Å; D690-A731 HydrophobicContact CB-CB 3.85Å; A731-N733 VanDerWaalsContact C-N 3.26Å; A731-N733 PolarHBondContact O-N 2.89Å; A731-I734 PolarHBondContact O-N 3.4Å; A731-I734 VanDerWaalsContact O-N 3.15Å; A731-I734 VanDerWaalsContact O-O 3.08Å; A731-T797 HydrophobicContact CB-CG2 4.22Å; A731-E800 HydrophobicContact CB-CG 3.9Å; A731-E800 WeakPolarHBondContact CB-OE2 3.49Å; A731-E800 PolarHBondContact N-OE2 3.15Å
732	K	90.8	Very high	87	Confident	95 Å²	95	34.8 Å²	34.8	41%	0.413	18%	0.177	S	C	.	.	G	3₁₀ helix	trans	-61.4	-32.2	169.5	-177.7	179.1	176.6	-179.4	0	113.3	V601 D690 C730	V601-K732 PolarHBondContact O-NZ 3.47Å; D690-K732 WeakPolarHBondContact OD1-CA 2.96Å; C730-K732 PolarHBondContact O-N 2.97Å
733	N	93.3	Very high	86.3	Confident	18 Å²	18	41.7 Å²	41.7	10%	0.096	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	-91.8	0.8	178.2	-67	-13.8	0	0	0	112.4	F728 C730 A731 S753	F728-N733 VanDerWaalsContact CD1-ND2 3.27Å; F728-N733 WeakPolarHBondContact CD1-ND2 3.37Å; F728-N733 PolarHBondContact O-ND2 3.33Å; C730-N733 PolarHBondContact O-N 3.11Å; A731-N733 VanDerWaalsContact C-N 3.26Å; A731-N733 PolarHBondContact O-N 2.89Å; N733-S753 WeakPolarHBondContact O-CB 3.42Å; N733-S753 PolarHBondContact O-N 3.26Å
734	I	95.6	Very high	85.2	Confident	0 Å²	0	42.9 Å²	42.9	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	122.3	173.3	-60	172	0	0	0	107.2	P688 L689 L712 C730 A731 I750 L752 T797	P688-I734 CarbonylContact C-O 3.56Å; P688-I734 WeakPolarHBondContact CA-O 3.3Å; L689-I734 HydrophobicContact CB-CB 4Å; L689-I734 HydrophobicContact CB-CG2 4.09Å; L689-I734 VanDerWaalsContact CB-O 3.26Å; L689-I734 WeakPolarHBondContact CB-O 3.32Å; L689-I734 HydrophobicContact CD2-CB 4.04Å; L689-I734 HydrophobicContact CD2-CD1 4.23Å; L689-I734 HydrophobicContact CD2-CG2 3.78Å; L689-I734 HydrophobicContact CG-CG2 4.48Å; L689-I734 PolarHBondContact N-O 3.29Å; L712-I734 HydrophobicContact CD1-CD1 3.81Å; L712-I734 HydrophobicContact CD1-CG1 4.19Å; L712-I734 HydrophobicContact CD2-CD1 3.58Å; L712-I734 HydrophobicContact CG-CD1 4.24Å; C730-I734 PolarHBondContact O-N 3.06Å; A731-I734 PolarHBondContact O-N 3.4Å; A731-I734 VanDerWaalsContact O-N 3.15Å; A731-I734 VanDerWaalsContact O-O 3.08Å; I734-I750 HydrophobicContact CG2-CB 3.73Å; I734-I750 HydrophobicContact CG2-CD1 3.74Å; I734-I750 HydrophobicContact CG2-CG1 4.3Å; I734-I750 HydrophobicContact CG2-CG2 3.92Å; I734-L752 HydrophobicContact CG1-CD1 4.2Å; I734-T797 HydrophobicContact CD1-CG2 3.55Å
735	L	94.3	Very high	83.9	Confident	19 Å²	19	46 Å²	46	10%	0.099	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	134.5	-179.6	-51.8	-178.2	0	0	0	109.8	V664 V684 G687 P688 I750 K751	V664-L735 HydrophobicContact CG2-CD1 3.84Å; V684-L735 HydrophobicContact CB-CB 3.75Å; V684-L735 HydrophobicContact CB-CD1 3.92Å; V684-L735 HydrophobicContact CB-CG 4.48Å; V684-L735 HydrophobicContact CG1-CB 3.72Å; V684-L735 HydrophobicContact CG2-CB 3.96Å; V684-L735 HydrophobicContact CG2-CD1 3.71Å; G687-L735 CarbonylContact O-C 3.59Å; G687-L735 VanDerWaalsContact O-CA 3.3Å; G687-L735 WeakPolarHBondContact O-CA 3.3Å; P688-L735 HydrophobicContact CG-CD2 4.19Å; L735-I750 CarbonylContact O-C 3.51Å; L735-I750 VanDerWaalsContact O-CA 3.3Å; L735-I750 WeakPolarHBondContact O-CA 3.23Å; L735-K751 PolarHBondContact N-O 3.13Å; L735-K751 PolarHBondContact O-N 3.28Å
736	L	91.9	Very high	82.8	Confident	0 Å²	0	45.1 Å²	45.1	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	116	179.2	-169.2	68.2	0	0	0	109.4	V684 L686 G687 L689 F692 W704 R738 D739 P748 I750	V684-L736 VanDerWaalsContact CG1-C 3.48Å; V684-L736 VanDerWaalsContact CG1-O 3.22Å; V684-L736 WeakPolarHBondContact CG1-O 3.47Å; L686-L736 HydrophobicContact CB-CB 4.15Å; L686-L736 HydrophobicContact CB-CD2 4.48Å; L686-L736 HydrophobicContact CB-CG 4.48Å; L686-L736 WeakPolarHBondContact CB-O 3.26Å; L686-L736 HydrophobicContact CD1-CB 4.41Å; L686-L736 HydrophobicContact CD1-CD2 3.86Å; L686-L736 HydrophobicContact CD1-CG 3.86Å; L686-L736 PolarHBondContact N-O 2.91Å; G687-L736 PolarHBondContact O-N 2.74Å; L689-L736 HydrophobicContact CD1-CD1 4.27Å; F692-L736 HydrophobicContact CB-CD2 4.21Å; F692-L736 HydrophobicContact CD1-CD2 3.37Å; F692-L736 HydrophobicContact CD2-CD2 3.68Å; F692-L736 HydrophobicContact CE1-CD2 3.5Å; F692-L736 VanDerWaalsContact CE1-CD2 3.5Å; F692-L736 HydrophobicContact CE2-CD2 3.79Å; F692-L736 HydrophobicContact CG-CD2 3.46Å; F692-L736 VanDerWaalsContact CG-CD2 3.46Å; F692-L736 HydrophobicContact CZ-CD2 3.71Å; W704-L736 HydrophobicContact CZ2-CD1 4.08Å; W704-L736 HydrophobicContact CZ2-CD2 4.17Å; L736-R738 WeakPolarHBondContact CD1-O 3.36Å; L736-D739 HydrophobicContact CD2-CB 4.12Å; L736-P748 HydrophobicContact CD1-CB 4.45Å; L736-I750 HydrophobicContact CD1-CG2 3.7Å
737	A	86.7	Confident	82.2	Confident	13 Å²	13	48.5 Å²	48.5	11%	0.107	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	-38.9	177.4	0	0	0	0	0	111.6	V684 F749 T914	V684-A737 HydrophobicContact CG1-CB 3.88Å; A737-F749 HydrophobicContact CB-CD1 4.07Å; A737-F749 WeakPolarHBondContact CB-O 3.37Å; A737-F749 PolarHBondContact N-O 3.06Å; A737-T914 HydrophobicContact CB-CG2 3.7Å
738	R	86.8	Confident	82.1	Confident	19 Å²	19	48.1 Å²	48.1	7%	0.072	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	131	177.8	-177.4	171	62.5	-143.6	4.5	109	E296 L736 E745 E747 P748 F749 D912	E296-R738 IonicContact OE1-CZ 3.13Å; E296-R738 IonicContact OE1-NH1 3.18Å; E296-R738 IonicContact OE1-NH2 2.89Å; E296-R738 PolarHBondContact OE1-NH2 2.88Å; E296-R738 VanDerWaalsContact OE1-NH2 3.08Å; E296-R738 IonicContact OE2-NH1 2.72Å; L736-R738 WeakPolarHBondContact CD1-O 3.36Å; R738-E745 WeakPolarHBondContact CD-O 3.46Å; R738-E747 VanDerWaalsContact CZ-O 3.3Å; R738-E747 PolarHBondContact NE-O 3.17Å; R738-E747 PolarHBondContact NH2-O 3.11Å; R738-P748 WeakPolarHBondContact O-CA 3.21Å; R738-F749 HydrophobicContact CB-CB 3.84Å; R738-F749 PolarHBondContact N-O 3.09Å; R738-F749 PolarHBondContact O-N 3.27Å; R738-D912 IonicContact CZ-OD2 3.46Å; R738-D912 IonicContact NH1-OD2 3.57Å; R738-D912 PolarHBondContact NH1-OD2 3.1Å
739	D	84.4	Confident	82	Confident	34 Å²	34	47.3 Å²	47.3	18%	0.182	24%	0.238	C	C	.	.			trans	-76	-35.8	-178.6	66.2	37.5	0	0	0	112.8	L686 F692 W704 L736 L741 P748	L686-D739 HydrophobicContact CD1-CB 3.8Å; F692-D739 HydrophobicContact CE1-CB 4.32Å; F692-D739 HydrophobicContact CE2-CB 3.89Å; F692-D739 HydrophobicContact CZ-CB 3.45Å; F692-D739 VanDerWaalsContact CZ-CB 3.45Å; W704-D739 PolarHBondContact NE1-O 2.93Å; L736-D739 HydrophobicContact CD2-CB 4.12Å; D739-L741 HydrophobicContact CB-CD1 4.35Å; D739-L741 HydrophobicContact CB-CG 4.09Å; D739-L741 PolarHBondContact O-N 3.44Å; D739-L741 PolarHBondContact OD1-N 3.05Å; D739-P748 WeakPolarHBondContact O-CB 3.39Å
740	G	80.6	Confident	81.9	Confident	15 Å²	15	47.2 Å²	47.2	16%	0.155	24%	0.238	C	C	.	.			trans	58.2	35.7	-178.9	0	0	0	0	0	113.7	G746	G740-G746 WeakPolarHBondContact CA-O 3.41Å
741	L	80.2	Confident	81.9	Confident	73 Å²	73	47.3 Å²	47.3	38%	0.382	24%	0.238	S	C	.	.			trans	-84.3	-32.9	172.8	-63.8	179	0	0	0	112.1	F692 L700 D739	F692-L741 HydrophobicContact CZ-CD1 3.96Å; L700-L741 HydrophobicContact CD2-CD2 3.48Å; L700-L741 VanDerWaalsContact CD2-CD2 3.48Å; D739-L741 HydrophobicContact CB-CD1 4.35Å; D739-L741 HydrophobicContact CB-CG 4.09Å; D739-L741 PolarHBondContact O-N 3.44Å; D739-L741 PolarHBondContact OD1-N 3.05Å
742	D	69.2	Low	82	Confident	102 Å²	102	47.4 Å²	47.4	55%	0.545	24%	0.238	S	C	.	.	S	Bend	trans	-88.7	133.1	177.7	-70.1	-26.5	0	0	0	111	E744 E745	D742-E744 PolarHBondContact O-N 2.69Å; D742-E745 HydrophobicContact CB-CB 4.35Å; D742-E745 HydrophobicContact CB-CG 4.17Å; D742-E745 PolarHBondContact O-N 2.66Å
743	E	55.3	Low	82.2	Confident	205 Å²	205	43.1 Å²	43.1	96%	0.958	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-20	-179.9	-68.5	-170.4	165.3	0	0	113.1
744	E	52.2	Low	82	Confident	192 Å²	192	42.3 Å²	42.3	90%	0.897	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.3	-25.9	176.9	-60.6	-157.7	165.8	0	0	113.9	D742	D742-E744 PolarHBondContact O-N 2.69Å
745	E	54.5	Low	81.7	Confident	97 Å²	97	42.8 Å²	42.8	45%	0.453	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.1	-18.3	-176.9	-72	-165.1	161.2	0	0	113.4	R738 D742 R910	R738-E745 WeakPolarHBondContact CD-O 3.46Å; D742-E745 HydrophobicContact CB-CB 4.35Å; D742-E745 HydrophobicContact CB-CG 4.17Å; D742-E745 PolarHBondContact O-N 2.66Å; E745-R910 PolarHBondContact O-NH1 2.97Å
746	G	67.5	Low	81.4	Confident	18 Å²	18	42.3 Å²	42.3	19%	0.186	22%	0.219	C	C	.	.			trans	97	-164.9	177.1	0	0	0	0	0	113.7	G740	G740-G746 WeakPolarHBondContact CA-O 3.41Å
747	E	79.7	Confident	81.1	Confident	77 Å²	77	42.4 Å²	42.4	36%	0.36	22%	0.219	S	C	.	.	S	Bend	trans	-77.4	151.9	-176	-62	-168.6	143.2	0	0	112.2	R703 Q707 R738	R703-E747 IonicContact NH2-OE1 3.61Å; R703-E747 PolarHBondContact NH2-OE1 2.82Å; R703-E747 VanDerWaalsContact NH2-OE1 3.09Å; Q707-E747 PolarHBondContact NE2-OE1 3.27Å; R738-E747 VanDerWaalsContact CZ-O 3.3Å; R738-E747 PolarHBondContact NE-O 3.17Å; R738-E747 PolarHBondContact NH2-O 3.11Å
748	P	88.1	Confident	81	Confident	4 Å²	4	42.7 Å²	42.7	3%	0.026	22%	0.22	C	C	.	.			trans	-54	149.2	176.8	21.3	-33.4	0	0	0	111.1	W704 Q707 V708 Q711 L736 R738 D739	W704-P748 HydrophobicContact CD2-CG 4.35Å; W704-P748 HydrophobicContact CG-CG 4.13Å; W704-P748 HydrophobicContact CZ2-CB 4.2Å; Q707-P748 HydrophobicContact CB-CG 3.81Å; V708-P748 HydrophobicContact CG2-CB 4.07Å; V708-P748 HydrophobicContact CG2-CG 4.1Å; Q711-P748 PolarHBondContact NE2-O 3.17Å; L736-P748 HydrophobicContact CD1-CB 4.45Å; R738-P748 WeakPolarHBondContact O-CA 3.21Å; D739-P748 WeakPolarHBondContact O-CB 3.39Å
749	F	88.9	Confident	80.9	Confident	6 Å²	6	42 Å²	42	3%	0.026	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	120.6	176.4	-163.2	-74.9	0	0	0	110.8	K661 H662 A737 R738 K751 T914	K661-F749 HydrophobicContact CB-CZ 4.22Å; K661-F749 WeakPolarHBondContact O-CE1 3.2Å; H662-F749 AromaticContact CE1-CD2 3.94Å; H662-F749 AromaticContact CE1-CE1 3.93Å; H662-F749 AromaticContact CE1-CE2 3.54Å; H662-F749 AromaticContact CE1-CZ 3.54Å; H662-F749 AromaticContact ND1-CE1 3.59Å; H662-F749 AromaticContact ND1-CZ 3.59Å; A737-F749 HydrophobicContact CB-CD1 4.07Å; A737-F749 WeakPolarHBondContact CB-O 3.37Å; A737-F749 PolarHBondContact N-O 3.06Å; R738-F749 HydrophobicContact CB-CB 3.84Å; R738-F749 PolarHBondContact N-O 3.09Å; R738-F749 PolarHBondContact O-N 3.27Å; F749-K751 HydrophobicContact CD1-CG 4.45Å; F749-K751 HydrophobicContact CE1-CG 4.06Å; F749-T914 HydrophobicContact CB-CG2 3.9Å; F749-T914 HydrophobicContact CD1-CG2 3.5Å; F749-T914 HydrophobicContact CD2-CG2 4.06Å; F749-T914 HydrophobicContact CE1-CG2 3.98Å; F749-T914 HydrophobicContact CE2-CG2 4.46Å; F749-T914 HydrophobicContact CG-CG2 3.54Å; F749-T914 HydrophobicContact CZ-CG2 4.42Å
750	I	93.6	Very high	80.7	Confident	0 Å²	0	43.3 Å²	43.3	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	155.4	-179.9	62.8	121.9	0	0	0	113.1	H662 V708 Q711 L712 I734 L735 L736	H662-I750 WeakPolarHBondContact CA-O 3.48Å; H662-I750 PolarHBondContact ND1-O 3.01Å; V708-I750 HydrophobicContact CG1-CG1 4.49Å; V708-I750 HydrophobicContact CG1-CG2 3.93Å; V708-I750 HydrophobicContact CG2-CG2 4.08Å; Q711-I750 HydrophobicContact CB-CD1 4.03Å; Q711-I750 HydrophobicContact CB-CG1 3.62Å; L712-I750 HydrophobicContact CB-CD1 4.03Å; I734-I750 HydrophobicContact CG2-CB 3.73Å; I734-I750 HydrophobicContact CG2-CD1 3.74Å; I734-I750 HydrophobicContact CG2-CG1 4.3Å; I734-I750 HydrophobicContact CG2-CG2 3.92Å; L735-I750 CarbonylContact O-C 3.51Å; L735-I750 VanDerWaalsContact O-CA 3.3Å; L735-I750 WeakPolarHBondContact O-CA 3.23Å; L736-I750 HydrophobicContact CD1-CG2 3.7Å
751	K	93.4	Very high	80.9	Confident	7 Å²	7	45.1 Å²	45.1	3%	0.03	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	127.1	169.4	-66.5	-172.3	172.9	-173.9	0	110.3	H662 V664 E682 V684 L735 F749 S753 R913	H662-K751 CarbonylContact O-C 3.59Å; H662-K751 WeakPolarHBondContact O-CA 3.27Å; V664-K751 HydrophobicContact CG2-CB 3.8Å; E682-K751 IonicContact OE1-NZ 2.84Å; E682-K751 PolarHBondContact OE1-NZ 3.49Å; E682-K751 IonicContact OE2-NZ 3.51Å; E682-K751 PolarHBondContact OE2-NZ 2.99Å; V684-K751 HydrophobicContact CG2-CD 4.31Å; L735-K751 PolarHBondContact N-O 3.13Å; L735-K751 PolarHBondContact O-N 3.28Å; F749-K751 HydrophobicContact CD1-CG 4.45Å; F749-K751 HydrophobicContact CE1-CG 4.06Å; K751-S753 PolarHBondContact O-N 2.81Å; K751-R913 PolarHBondContact NZ-O 2.96Å
752	L	95.3	Very high	81.1	Confident	1 Å²	1	42.4 Å²	42.4	1%	0.005	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	117.2	172.2	-177.2	62.7	0	0	0	109.4	H662 I663 V664 L712 L716 L719 I734	H662-L752 PolarHBondContact O-N 3.06Å; I663-L752 WeakPolarHBondContact CA-O 3.34Å; V664-L752 WeakPolarHBondContact CG2-O 3.39Å; V664-L752 PolarHBondContact N-O 3.28Å; L712-L752 HydrophobicContact CD1-CD1 4.29Å; L716-L752 HydrophobicContact CD2-CD2 3.87Å; L719-L752 HydrophobicContact CD1-CD2 4.48Å; I734-L752 HydrophobicContact CG1-CD1 4.2Å
753	S	93.9	Very high	81.9	Confident	6 Å²	6	40.2 Å²	40.2	4%	0.042	21%	0.213	C	C	.	.	P	Polyproline II helix	trans	-76.7	167.1	170.6	-178.7	0	0	0	0	110	K635 E681 H726 N733 K751	K635-S753 PolarHBondContact NZ-OG 3.06Å; K635-S753 VanDerWaalsContact NZ-OG 3.14Å; E681-S753 PolarHBondContact OE2-OG 3.17Å; H726-S753 PolarHBondContact NE2-O 3.25Å; N733-S753 WeakPolarHBondContact O-CB 3.42Å; N733-S753 PolarHBondContact O-N 3.26Å; K751-S753 PolarHBondContact O-N 2.81Å
754	D	91	Very high	83.3	Confident	1 Å²	1	38.1 Å²	38.1	1%	0.005	20%	0.196	C	C	.	.	P	Polyproline II helix	trans	-60	156.8	175.6	63.8	101.6	0	0	0	112.9	K635 T651 M655 G756	K635-D754 WeakPolarHBondContact CE-OD2 3.26Å; K635-D754 IonicContact NZ-OD1 3.47Å; K635-D754 PolarHBondContact NZ-OD1 3.36Å; K635-D754 IonicContact NZ-OD2 3.15Å; K635-D754 PolarHBondContact NZ-OD2 2.93Å; T651-D754 HydrophobicContact CG2-CB 3.94Å; M655-D754 HydrophobicContact CE-CB 4.04Å; M655-D754 HydrophobicContact CG-CB 3.7Å; M655-D754 HydrophobicContact SD-CB 3.98Å; D754-G756 PolarHBondContact O-N 3.22Å; D754-G756 VanDerWaalsContact OD1-CA 3.27Å; D754-G756 WeakPolarHBondContact OD1-CA 3.39Å; D754-G756 PolarHBondContact OD1-N 3.05Å
755	P	89.4	Confident	85	Confident	9 Å²	9	35.5 Å²	35.5	6%	0.058	18%	0.184	C	C	.	.			trans	-72.6	-4.2	177.4	30.5	-37.9	0	0	0	114.5	T651 M654 H726 F728	T651-P755 HydrophobicContact CG2-CG 3.73Å; M654-P755 HydrophobicContact CE-CG 4.11Å; H726-P755 WeakPolarHBondContact O-CB 3.45Å; H726-P755 VanDerWaalsContact O-CG 3.23Å; H726-P755 WeakPolarHBondContact O-CG 3.29Å; F728-P755 HydrophobicContact CB-CB 4Å
756	G	86.6	Confident	86.6	Confident	10 Å²	10	33.2 Å²	33.2	10%	0.103	17%	0.174	C	C	.	.	S	Bend	trans	71.4	-128.2	-172.2	0	0	0	0	0	112.3	T651 D754	T651-G756 WeakPolarHBondContact CB-O 2.86Å; T651-G756 WeakPolarHBondContact CG2-O 3.36Å; T651-G756 PolarHBondContact OG1-O 2.74Å; D754-G756 PolarHBondContact O-N 3.22Å; D754-G756 VanDerWaalsContact OD1-CA 3.27Å; D754-G756 WeakPolarHBondContact OD1-CA 3.39Å; D754-G756 PolarHBondContact OD1-N 3.05Å
757	I	86.9	Confident	87.6	Confident	1 Å²	1	32.5 Å²	32.5	1%	0.005	17%	0.166	C	C	.	.	S	Bend	trans	-77.2	126	176.9	-61.3	-62.7	0	0	0	110.1	T603 T605 L637 I644 F648 V761 L762	T603-I757 WeakPolarHBondContact O-CG1 3.22Å; T605-I757 HydrophobicContact CG2-CG1 4.44Å; L637-I757 HydrophobicContact CD1-CD1 3.92Å; I644-I757 HydrophobicContact CD1-CD1 3.95Å; I644-I757 HydrophobicContact CD1-CG1 4.17Å; I644-I757 HydrophobicContact CD1-CG2 4.15Å; F648-I757 HydrophobicContact CB-CD1 3.78Å; F648-I757 HydrophobicContact CD2-CD1 3.65Å; F648-I757 HydrophobicContact CG-CD1 4.17Å; I757-V761 HydrophobicContact CG2-CG2 3.39Å; I757-L762 HydrophobicContact CB-CD2 4.25Å; I757-L762 HydrophobicContact CG2-CD2 3.72Å; I757-L762 HydrophobicContact CG2-CG 4.45Å
758	P	83.4	Confident	88.1	Confident	20 Å²	20	29 Å²	29	13%	0.13	15%	0.15	C	C	.	.			trans	-56.2	144.3	177	-25.8	34.1	0	0	0	112.3	A647 T651 T760 V761	A647-P758 HydrophobicContact CB-CG 4.12Å; A647-P758 VanDerWaalsContact O-CD 3.26Å; A647-P758 WeakPolarHBondContact O-CD 3.27Å; A647-P758 WeakPolarHBondContact O-CG 3.47Å; T651-P758 WeakPolarHBondContact OG1-CD 3.41Å; T651-P758 VanDerWaalsContact OG1-CG 3.27Å; T651-P758 WeakPolarHBondContact OG1-CG 3.35Å; P758-T760 WeakPolarHBondContact CB-OG1 3.29Å; P758-T760 PolarHBondContact O-N 3.01Å; P758-T760 VanDerWaalsContact O-N 3.13Å; P758-V761 WeakPolarHBondContact O-CG2 3.48Å; P758-V761 PolarHBondContact O-N 2.95Å
759	I	85	Confident	88.2	Confident	4 Å²	4	34.8 Å²	34.8	2%	0.021	18%	0.176	C	C	.	.	G	3₁₀ helix	trans	-64.2	-19.6	179.5	67.1	170.5	0	0	0	113.2	V761 L762 I774 C778 L785	I759-V761 PolarHBondContact O-N 3.39Å; I759-L762 HydrophobicContact CB-CD1 4.4Å; I759-L762 HydrophobicContact CG2-CD1 4.21Å; I759-L762 PolarHBondContact O-N 3.16Å; I759-I774 HydrophobicContact CB-CD1 4.43Å; I759-I774 HydrophobicContact CG2-CD1 3.65Å; I759-I774 HydrophobicContact CG2-CG1 4.34Å; I759-C778 HydrophobicContact CD1-CB 3.56Å; I759-L785 HydrophobicContact CD1-CB 4.41Å; I759-L785 HydrophobicContact CD1-CD1 3.75Å; I759-L785 HydrophobicContact CD1-CD2 4.4Å; I759-L785 HydrophobicContact CD1-CG 4.4Å; I759-L785 HydrophobicContact CG1-CD1 4.28Å; I759-L785 HydrophobicContact CG1-CD2 4.06Å
760	T	80.2	Confident	88.3	Confident	62 Å²	62	35.1 Å²	35.1	38%	0.38	18%	0.177	S	C	.	.	G	3₁₀ helix	trans	-64	-23.6	-179.9	50.5	0	0	0	0	113.6	P758 L785	P758-T760 WeakPolarHBondContact CB-OG1 3.29Å; P758-T760 PolarHBondContact O-N 3.01Å; P758-T760 VanDerWaalsContact O-N 3.13Å; T760-L785 HydrophobicContact CG2-CD2 4.14Å
761	V	83.9	Confident	88.2	Confident	53 Å²	53	35.1 Å²	35.1	32%	0.321	18%	0.177	S	C	.	.	G	3₁₀ helix	trans	-112.5	5	179.8	-60.3	0	0	0	0	113.7	I644 A647 I757 P758 I759	I644-V761 HydrophobicContact CB-CG2 4.39Å; I644-V761 HydrophobicContact CG2-CB 4.14Å; I644-V761 HydrophobicContact CG2-CG2 4.2Å; A647-V761 HydrophobicContact CB-CB 4.17Å; A647-V761 HydrophobicContact CB-CG1 3.61Å; A647-V761 HydrophobicContact CB-CG2 3.53Å; I757-V761 HydrophobicContact CG2-CG2 3.39Å; P758-V761 WeakPolarHBondContact O-CG2 3.48Å; P758-V761 PolarHBondContact O-N 2.95Å; I759-V761 PolarHBondContact O-N 3.39Å
762	L	84.9	Confident	88.2	Confident	16 Å²	16	34.9 Å²	34.9	8%	0.084	18%	0.176	C	C	.	.	S	Bend	trans	-81.1	150.1	176.6	-63.5	-179.7	0	0	0	110.8	T603 I757 I759 E766	T603-L762 HydrophobicContact CG2-CD2 3.73Å; I757-L762 HydrophobicContact CB-CD2 4.25Å; I757-L762 HydrophobicContact CG2-CD2 3.72Å; I757-L762 HydrophobicContact CG2-CG 4.45Å; I759-L762 HydrophobicContact CB-CD1 4.4Å; I759-L762 HydrophobicContact CG2-CD1 4.21Å; I759-L762 PolarHBondContact O-N 3.16Å; L762-E766 HydrophobicContact CB-CB 4.2Å
763	S	86.4	Confident	88.1	Confident	55 Å²	55	36.3 Å²	36.3	39%	0.385	18%	0.181	S	C	.	.			trans	-67.6	154.4	168.1	64.9	0	0	0	0	110.3	E765 E766 C767	S763-E765 PolarHBondContact O-N 3.06Å; S763-E766 WeakPolarHBondContact CB-OE2 3.3Å; S763-E766 PolarHBondContact N-OE2 3.3Å; S763-E766 WeakPolarHBondContact O-CB 3.31Å; S763-E766 PolarHBondContact O-N 3.24Å; S763-E766 VanDerWaalsContact O-N 3.1Å; S763-E766 WeakPolarHBondContact OG-CB 3.44Å; S763-E766 VanDerWaalsContact OG-CD 3.25Å; S763-E766 WeakPolarHBondContact OG-CG 3.48Å; S763-E766 PolarHBondContact OG-N 3.23Å; S763-E766 PolarHBondContact OG-OE2 3.06Å; S763-C767 PolarHBondContact O-N 3.19Å
764	R	85.4	Confident	88	Confident	161 Å²	161	36.1 Å²	36.1	61%	0.608	18%	0.18	S	C	*	.	H	α-helix	trans	-56.4	-38.7	176.9	-178.7	173	168.3	168.8	-1.7	112.1	C767 V768 E818	R764-C767 WeakPolarHBondContact O-CB 3.38Å; R764-C767 PolarHBondContact O-N 2.93Å; R764-V768 HydrophobicContact CG-CG2 4.41Å; R764-V768 VanDerWaalsContact O-CG2 3.29Å; R764-V768 WeakPolarHBondContact O-CG2 3.38Å; R764-V768 PolarHBondContact O-N 3Å; R764-E818 IonicContact CZ-OE1 3.47Å; R764-E818 IonicContact NE-OE1 2.73Å; R764-E818 PolarHBondContact NE-OE1 3.39Å; R764-E818 IonicContact NH2-OE1 2.69Å; R764-E818 PolarHBondContact NH2-OE1 3.02Å
765	E	87.2	Confident	88.2	Confident	137 Å²	137	36.1 Å²	36.1	64%	0.64	18%	0.18	S	C	*	.	H	α-helix	trans	-62.6	-42	177.4	-168.8	176.5	-176.7	0	0	112	S763 C767 V768 H769 L814	S763-E765 PolarHBondContact O-N 3.06Å; E765-C767 VanDerWaalsContact C-N 3.34Å; E765-C767 PolarHBondContact O-N 3.49Å; E765-V768 PolarHBondContact O-N 3.37Å; E765-H769 WeakPolarHBondContact O-CB 3.4Å; E765-H769 PolarHBondContact O-N 3.33Å; E765-L814 HydrophobicContact CG-CD1 3.72Å
766	E	88.9	Confident	88.3	Confident	50 Å²	50	35.8 Å²	35.8	23%	0.234	18%	0.178	C	C	.	.	H	α-helix	trans	-64.5	-37.7	174.3	-71.2	167.2	132.3	0	0	112.1	K604 L762 S763 H769 R770	K604-E766 WeakPolarHBondContact CE-OE1 3.46Å; K604-E766 IonicContact NZ-OE1 2.6Å; K604-E766 IonicContact NZ-OE2 3.94Å; L762-E766 HydrophobicContact CB-CB 4.2Å; S763-E766 WeakPolarHBondContact CB-OE2 3.3Å; S763-E766 PolarHBondContact N-OE2 3.3Å; S763-E766 WeakPolarHBondContact O-CB 3.31Å; S763-E766 PolarHBondContact O-N 3.24Å; S763-E766 VanDerWaalsContact O-N 3.1Å; S763-E766 WeakPolarHBondContact OG-CB 3.44Å; S763-E766 VanDerWaalsContact OG-CD 3.25Å; S763-E766 WeakPolarHBondContact OG-CG 3.48Å; S763-E766 PolarHBondContact OG-N 3.23Å; S763-E766 PolarHBondContact OG-OE2 3.06Å; E766-H769 PolarHBondContact O-N 3.14Å; E766-R770 WeakPolarHBondContact O-CG 3.33Å; E766-R770 PolarHBondContact O-N 3.11Å
767	C	88.5	Confident	88.5	Confident	2 Å²	2	35.8 Å²	35.8	1%	0.014	18%	0.175	C	C	.	.	H	α-helix	trans	-64.5	-44.6	173.9	-69.4	0	0	0	0	111.8	S763 R764 E765 H769 R770 I774	S763-C767 PolarHBondContact O-N 3.19Å; R764-C767 WeakPolarHBondContact O-CB 3.38Å; R764-C767 PolarHBondContact O-N 2.93Å; E765-C767 VanDerWaalsContact C-N 3.34Å; E765-C767 PolarHBondContact O-N 3.49Å; C767-H769 VanDerWaalsContact C-N 3.31Å; C767-H769 PolarHBondContact O-N 2.85Å; C767-R770 PolarHBondContact O-N 3.33Å; C767-R770 VanDerWaalsContact O-N 3.16Å; C767-I774 HydrophobicContact CB-CD1 4.28Å
768	V	89.8	Confident	88.7	Confident	4 Å²	4	35.8 Å²	35.8	2%	0.024	18%	0.176	C	C	.	.	H	α-helix	trans	-64.4	-36.9	177.3	172	0	0	0	0	111.3	R764 E765 R770 I771 V779 L814 K817 E818	R764-V768 HydrophobicContact CG-CG2 4.41Å; R764-V768 VanDerWaalsContact O-CG2 3.29Å; R764-V768 WeakPolarHBondContact O-CG2 3.38Å; R764-V768 PolarHBondContact O-N 3Å; E765-V768 PolarHBondContact O-N 3.37Å; V768-R770 PolarHBondContact O-N 3.43Å; V768-I771 HydrophobicContact CB-CD1 4.46Å; V768-I771 HydrophobicContact CG1-CD1 4.24Å; V768-I771 VanDerWaalsContact O-CB 3.31Å; V768-I771 WeakPolarHBondContact O-CB 3.45Å; V768-I771 WeakPolarHBondContact O-CG1 3.48Å; V768-I771 PolarHBondContact O-N 3.03Å; V768-I771 VanDerWaalsContact O-N 3.08Å; V768-V779 HydrophobicContact CG2-CG1 3.98Å; V768-L814 HydrophobicContact CG1-CB 3.85Å; V768-L814 HydrophobicContact CG1-CD2 4.09Å; V768-L814 HydrophobicContact CG1-CG 4.5Å; V768-L814 WeakPolarHBondContact CG1-O 3.1Å; V768-K817 HydrophobicContact CG1-CB 4.43Å; V768-E818 HydrophobicContact CB-CG 4.37Å; V768-E818 HydrophobicContact CG1-CG 3.71Å; V768-E818 HydrophobicContact CG2-CG 3.63Å
769	H	88.9	Confident	88.9	Confident	125 Å²	125	35.7 Å²	35.7	58%	0.579	18%	0.175	S	C	*	.	H	α-helix	trans	-60.2	-33.5	175.9	-172.6	-78	0	0	0	112.3	E765 E766 C767 I771 L814 K817	E765-H769 WeakPolarHBondContact O-CB 3.4Å; E765-H769 PolarHBondContact O-N 3.33Å; E766-H769 PolarHBondContact O-N 3.14Å; C767-H769 VanDerWaalsContact C-N 3.31Å; C767-H769 PolarHBondContact O-N 2.85Å; H769-I771 VanDerWaalsContact C-N 3.28Å; H769-I771 PolarHBondContact O-N 3.48Å; H769-L814 HydrophobicContact CB-CD2 4Å; H769-K817 PolarHBondContact O-NZ 3.35Å
770	R	91.2	Very high	88.9	Confident	14 Å²	14	43.5 Å²	43.5	5%	0.053	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.4	3.1	178.1	-67.7	174.5	175.1	-161.3	7.4	114	T603 F728 E766 C767 V768 W773 I774	T603-R770 VanDerWaalsContact CB-NH2 3.25Å; T603-R770 PolarHBondContact OG1-NH2 2.89Å; F728-R770 HydrophobicContact CE2-CB 3.98Å; F728-R770 HydrophobicContact CE2-CG 3.85Å; F728-R770 HydrophobicContact CZ-CG 3.94Å; E766-R770 WeakPolarHBondContact O-CG 3.33Å; E766-R770 PolarHBondContact O-N 3.11Å; C767-R770 PolarHBondContact O-N 3.33Å; C767-R770 VanDerWaalsContact O-N 3.16Å; V768-R770 PolarHBondContact O-N 3.43Å; R770-W773 PolarHBondContact O-N 2.99Å; R770-I774 HydrophobicContact CB-CD1 3.59Å; R770-I774 HydrophobicContact CB-CG1 3.72Å; R770-I774 VanDerWaalsContact CD-CD1 3.49Å; R770-I774 HydrophobicContact CG-CD1 4.2Å; R770-I774 PolarHBondContact O-N 2.93Å
771	I	92.3	Very high	89	Confident	0 Å²	0	43.5 Å²	43.5	0%	0	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.1	131.1	168.5	-67.1	175	0	0	0	108.9	V768 H769 V779 L809 K817 Y821	V768-I771 HydrophobicContact CB-CD1 4.46Å; V768-I771 HydrophobicContact CG1-CD1 4.24Å; V768-I771 VanDerWaalsContact O-CB 3.31Å; V768-I771 WeakPolarHBondContact O-CB 3.45Å; V768-I771 WeakPolarHBondContact O-CG1 3.48Å; V768-I771 PolarHBondContact O-N 3.03Å; V768-I771 VanDerWaalsContact O-N 3.08Å; H769-I771 VanDerWaalsContact C-N 3.28Å; H769-I771 PolarHBondContact O-N 3.48Å; I771-V779 HydrophobicContact CD1-CG1 4.46Å; I771-V779 HydrophobicContact CD1-CG2 4.27Å; I771-V779 HydrophobicContact CG1-CG2 4.19Å; I771-L809 HydrophobicContact CG2-CD1 4.11Å; I771-K817 HydrophobicContact CB-CB 4.17Å; I771-K817 HydrophobicContact CB-CD 4.13Å; I771-K817 HydrophobicContact CD1-CB 4.23Å; I771-K817 HydrophobicContact CG2-CB 3.95Å; I771-K817 HydrophobicContact CG2-CD 4.34Å; I771-K817 HydrophobicContact CG2-CG 4.35Å; I771-K817 PolarHBondContact O-NZ 2.94Å; I771-Y821 HydrophobicContact CB-CE2 4.47Å; I771-Y821 HydrophobicContact CD1-CD2 3.69Å; I771-Y821 HydrophobicContact CD1-CE2 3.74Å; I771-Y821 HydrophobicContact CD1-CG 4.26Å; I771-Y821 HydrophobicContact CG1-CD2 4.13Å; I771-Y821 HydrophobicContact CG1-CE2 3.63Å; I771-Y821 HydrophobicContact CG2-CD1 4.3Å; I771-Y821 HydrophobicContact CG2-CE1 3.74Å; I771-Y821 HydrophobicContact CG2-CE2 4.2Å
772	P	92.6	Very high	88.8	Confident	1 Å²	1	43.2 Å²	43.2	1%	0.006	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	cis	-99	1.7	13.8	36.6	-33.5	0	0	0	117.2	I774 W792 T796 P808 L809 Y821 L827	P772-I774 VanDerWaalsContact C-N 3.29Å; P772-I774 PolarHBondContact O-N 3.07Å; P772-W792 PolarHBondContact O-NE1 3.22Å; P772-T796 HydrophobicContact CB-CG2 4.15Å; P772-T796 HydrophobicContact CG-CG2 4.37Å; P772-T796 WeakPolarHBondContact O-CG2 3.45Å; P772-P808 HydrophobicContact CG-CB 3.68Å; P772-P808 HydrophobicContact CG-CG 3.55Å; P772-L809 HydrophobicContact CB-CD1 4.31Å; P772-L809 HydrophobicContact CG-CD1 4.39Å; P772-Y821 VanDerWaalsContact CA-OH 3.27Å; P772-Y821 WeakPolarHBondContact CA-OH 3.36Å; P772-Y821 PolarHBondContact O-OH 3.03Å; P772-L827 HydrophobicContact CB-CD1 4.3Å; P772-L827 HydrophobicContact CG-CD1 4Å
773	W	93.6	Very high	88.3	Confident	31 Å²	31	47 Å²	47	12%	0.117	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-26.6	-176.4	-60.8	-89.7	0	0	0	114.6	F728 C730 R770 E800 V807 P808	F728-W773 HydrophobicContact CE2-CB 4.09Å; C730-W773 HydrophobicContact CB-CB 4.4Å; C730-W773 HydrophobicContact CB-CD2 4.21Å; C730-W773 HydrophobicContact CB-CG 3.77Å; R770-W773 PolarHBondContact O-N 2.99Å; W773-E800 PolarHBondContact NE1-OE2 2.89Å; W773-V807 HydrophobicContact CH2-CB 4.41Å; W773-V807 HydrophobicContact CH2-CG1 3.69Å; W773-V807 HydrophobicContact CH2-CG2 4.39Å; W773-V807 HydrophobicContact CZ3-CG1 4.33Å; W773-P808 HydrophobicContact CH2-CG 4.47Å; W773-P808 HydrophobicContact CZ2-CG 4.15Å
774	I	92.4	Very high	87.9	Confident	2 Å²	2	48.8 Å²	48.8	1%	0.01	23%	0.23	C	C	.	.	S	Bend	trans	-80.9	132	171.2	-69.2	-173	0	0	0	110.1	F728 I759 C767 R770 P772 C778 V779 Y821	F728-I774 HydrophobicContact CD2-CG1 4.3Å; I759-I774 HydrophobicContact CB-CD1 4.43Å; I759-I774 HydrophobicContact CG2-CD1 3.65Å; I759-I774 HydrophobicContact CG2-CG1 4.34Å; C767-I774 HydrophobicContact CB-CD1 4.28Å; R770-I774 HydrophobicContact CB-CD1 3.59Å; R770-I774 HydrophobicContact CB-CG1 3.72Å; R770-I774 VanDerWaalsContact CD-CD1 3.49Å; R770-I774 HydrophobicContact CG-CD1 4.2Å; R770-I774 PolarHBondContact O-N 2.93Å; P772-I774 VanDerWaalsContact C-N 3.29Å; P772-I774 PolarHBondContact O-N 3.07Å; I774-C778 HydrophobicContact CG2-CB 3.82Å; I774-V779 HydrophobicContact CB-CG2 4.35Å; I774-V779 HydrophobicContact CG2-CG2 3.63Å; I774-Y821 WeakPolarHBondContact O-CE2 3.39Å; I774-Y821 PolarHBondContact O-OH 3.27Å
775	A	93.8	Very high	87.9	Confident	1 Å²	1	43.7 Å²	43.7	1%	0.008	21%	0.214	C	C	.	.			trans	-63.2	142.6	178	0	0	0	0	0	112.3	E777 C778 V779 A789 W792	A775-E777 VanDerWaalsContact C-N 3.29Å; A775-E777 VanDerWaalsContact CB-CD 3.5Å; A775-E777 WeakPolarHBondContact CB-OE1 3.23Å; A775-E777 WeakPolarHBondContact CB-OE2 3.07Å; A775-E777 PolarHBondContact O-N 3.2Å; A775-C778 WeakPolarHBondContact O-CB 3.46Å; A775-C778 PolarHBondContact O-N 3.37Å; A775-V779 PolarHBondContact O-N 3.45Å; A775-A789 HydrophobicContact CB-CB 3.94Å; A775-W792 HydrophobicContact CB-CB 3.83Å; A775-W792 HydrophobicContact CB-CD2 4.47Å; A775-W792 HydrophobicContact CB-CG 3.86Å
776	P	92.9	Very high	87.8	Confident	3 Å²	3	39.2 Å²	39.2	2%	0.019	20%	0.198	C	C	.	.	H	α-helix	trans	-55.2	-40	-174.6	-25.6	32.5	0	0	0	114.2	C778 V779 R780 W792 Y821 Y845	P776-C778 VanDerWaalsContact C-N 3.29Å; P776-C778 PolarHBondContact O-N 2.91Å; P776-V779 PolarHBondContact O-N 3.37Å; P776-R780 PolarHBondContact O-N 2.99Å; P776-W792 HydrophobicContact CG-CD2 4.38Å; P776-W792 HydrophobicContact CG-CE3 4.18Å; P776-W792 HydrophobicContact CG-CH2 3.49Å; P776-W792 VanDerWaalsContact CG-CH2 3.49Å; P776-W792 HydrophobicContact CG-CZ2 3.71Å; P776-W792 HydrophobicContact CG-CZ3 3.73Å; P776-Y821 HydrophobicContact CB-CD2 3.84Å; P776-Y821 HydrophobicContact CB-CE2 4.04Å; P776-Y821 HydrophobicContact CB-CG 4.28Å; P776-Y821 HydrophobicContact CG-CD1 4.44Å; P776-Y821 HydrophobicContact CG-CD2 4.06Å; P776-Y821 HydrophobicContact CG-CE1 4.33Å; P776-Y821 HydrophobicContact CG-CE2 3.89Å; P776-Y821 HydrophobicContact CG-CG 4.33Å; P776-Y845 HydrophobicContact CB-CD1 3.86Å; P776-Y845 HydrophobicContact CB-CE1 4.06Å; P776-Y845 HydrophobicContact CG-CD1 3.47Å; P776-Y845 VanDerWaalsContact CG-CD1 3.47Å; P776-Y845 HydrophobicContact CG-CE1 3.53Å; P776-Y845 HydrophobicContact CG-CG 4.43Å
777	E	90.9	Very high	87.8	Confident	10 Å²	10	38.3 Å²	38.3	5%	0.047	20%	0.196	C	C	.	.	H	α-helix	trans	-61.9	-37.2	178.1	68.4	-82.8	-164.5	0	0	112	A775 V779 R780 N781 E784 P847 R850	A775-E777 VanDerWaalsContact C-N 3.29Å; A775-E777 VanDerWaalsContact CB-CD 3.5Å; A775-E777 WeakPolarHBondContact CB-OE1 3.23Å; A775-E777 WeakPolarHBondContact CB-OE2 3.07Å; A775-E777 PolarHBondContact O-N 3.2Å; E777-V779 VanDerWaalsContact C-N 3.33Å; E777-V779 PolarHBondContact O-N 3.47Å; E777-R780 PolarHBondContact O-N 3.14Å; E777-N781 PolarHBondContact O-N 3.44Å; E777-E784 HydrophobicContact CG-CB 4.43Å; E777-P847 HydrophobicContact CG-CG 4.44Å; E777-R850 IonicContact OE1-CZ 3.48Å; E777-R850 IonicContact OE1-NH1 2.71Å; E777-R850 PolarHBondContact OE1-NH1 3.08Å; E777-R850 IonicContact OE1-NH2 3.3Å; E777-R850 PolarHBondContact OE1-NH2 3.1Å; E777-R850 IonicContact OE2-CZ 3.69Å; E777-R850 IonicContact OE2-NH1 3.59Å; E777-R850 IonicContact OE2-NH2 3.84Å; E777-R850 PolarHBondContact OE2-NH2 2.85Å
778	C	89.6	Confident	87.8	Confident	1 Å²	1	38.8 Å²	38.8	1%	0.007	20%	0.2	C	C	.	.	H	α-helix	trans	-73.3	-24.8	179.3	-59.8	0	0	0	0	113.2	I759 I774 A775 P776 N781	I759-C778 HydrophobicContact CD1-CB 3.56Å; I774-C778 HydrophobicContact CG2-CB 3.82Å; A775-C778 WeakPolarHBondContact O-CB 3.46Å; A775-C778 PolarHBondContact O-N 3.37Å; P776-C778 VanDerWaalsContact C-N 3.29Å; P776-C778 PolarHBondContact O-N 2.91Å; C778-N781 CarbonylContact O-C 3.53Å
779	V	88.3	Confident	87.9	Confident	18 Å²	18	38.9 Å²	38.9	11%	0.109	20%	0.202	C	C	.	.	H	α-helix	trans	-74.1	-37.8	172.5	-176.7	0	0	0	0	110.6	V768 I771 I774 A775 P776 E777 Y821	V768-V779 HydrophobicContact CG2-CG1 3.98Å; I771-V779 HydrophobicContact CD1-CG1 4.46Å; I771-V779 HydrophobicContact CD1-CG2 4.27Å; I771-V779 HydrophobicContact CG1-CG2 4.19Å; I774-V779 HydrophobicContact CB-CG2 4.35Å; I774-V779 HydrophobicContact CG2-CG2 3.63Å; A775-V779 PolarHBondContact O-N 3.45Å; P776-V779 PolarHBondContact O-N 3.37Å; E777-V779 VanDerWaalsContact C-N 3.33Å; E777-V779 PolarHBondContact O-N 3.47Å; V779-Y821 HydrophobicContact CG2-CD2 4.25Å; V779-Y821 HydrophobicContact CG2-CE2 3.96Å
780	R	85.4	Confident	88.2	Confident	167 Å²	167	33.1 Å²	33.1	63%	0.63	18%	0.175	S	C	*	.	H	α-helix	trans	-69.5	-46.3	176.7	-66.6	175.7	-175.1	171.5	2.7	111	P776 E777	P776-R780 PolarHBondContact O-N 2.99Å; E777-R780 PolarHBondContact O-N 3.14Å
781	N	82.4	Confident	88.3	Confident	63 Å²	63	33 Å²	33	34%	0.337	18%	0.175	S	C	.	.			trans	-147.6	113.6	-179.2	-176.1	6.1	0	0	0	111	E777 C778 S783 E784	E777-N781 PolarHBondContact O-N 3.44Å; C778-N781 CarbonylContact O-C 3.53Å; N781-S783 VanDerWaalsContact CG-OG 3.26Å; N781-S783 PolarHBondContact ND2-OG 3.16Å; N781-S783 PolarHBondContact O-N 3.08Å; N781-S783 PolarHBondContact OD1-N 3.47Å; N781-S783 VanDerWaalsContact OD1-N 3.13Å; N781-S783 PolarHBondContact OD1-OG 3.19Å; N781-E784 HydrophobicContact CB-CG 4.09Å; N781-E784 PolarHBondContact ND2-OE1 3.35Å; N781-E784 WeakPolarHBondContact O-CB 3.5Å; N781-E784 PolarHBondContact O-N 3.27Å; N781-E784 VanDerWaalsContact O-N 3.11Å
782	T	79.5	Confident	88.5	Confident	47 Å²	47	33.3 Å²	33.3	29%	0.288	18%	0.176	S	C	.	.	G	3₁₀ helix	trans	-67.3	-17.5	-178.5	55.8	0	0	0	0	113.3	E784 L785	T782-E784 PolarHBondContact O-N 3.31Å; T782-L785 PolarHBondContact O-N 2.92Å
783	S	73.9	Confident	88.6	Confident	95 Å²	95	33.3 Å²	33.3	66%	0.664	18%	0.176	S	C	*	.	G	3₁₀ helix	trans	-74.3	-9.2	174.7	76.5	0	0	0	0	113.8	N781 L785	N781-S783 VanDerWaalsContact CG-OG 3.26Å; N781-S783 PolarHBondContact ND2-OG 3.16Å; N781-S783 PolarHBondContact O-N 3.08Å; N781-S783 PolarHBondContact OD1-N 3.47Å; N781-S783 VanDerWaalsContact OD1-N 3.13Å; N781-S783 PolarHBondContact OD1-OG 3.19Å; S783-L785 VanDerWaalsContact C-N 3.26Å
784	E	78.6	Confident	88.7	Confident	93 Å²	93	31.8 Å²	31.8	44%	0.435	17%	0.17	S	C	.	.	G	3₁₀ helix	trans	-88.1	8.3	177.6	-66.8	176.2	-159.7	0	0	112.8	E777 N781 T782 S786	E777-E784 HydrophobicContact CG-CB 4.43Å; N781-E784 HydrophobicContact CB-CG 4.09Å; N781-E784 PolarHBondContact ND2-OE1 3.35Å; N781-E784 WeakPolarHBondContact O-CB 3.5Å; N781-E784 PolarHBondContact O-N 3.27Å; N781-E784 VanDerWaalsContact O-N 3.11Å; T782-E784 PolarHBondContact O-N 3.31Å; E784-S786 PolarHBondContact O-N 3.07Å; E784-S786 VanDerWaalsContact O-N 3.11Å
785	L	84.3	Confident	88.8	Confident	53 Å²	53	31.7 Å²	31.7	28%	0.277	17%	0.17	S	C	.	.			trans	-55.5	118	174	179.1	61	0	0	0	110.5	V725 I759 T760 T782 S783 A789	V725-L785 HydrophobicContact CG1-CD1 3.6Å; V725-L785 HydrophobicContact CG1-CG 3.93Å; I759-L785 HydrophobicContact CD1-CB 4.41Å; I759-L785 HydrophobicContact CD1-CD1 3.75Å; I759-L785 HydrophobicContact CD1-CD2 4.4Å; I759-L785 HydrophobicContact CD1-CG 4.4Å; I759-L785 HydrophobicContact CG1-CD1 4.28Å; I759-L785 HydrophobicContact CG1-CD2 4.06Å; T760-L785 HydrophobicContact CG2-CD2 4.14Å; T782-L785 PolarHBondContact O-N 2.92Å; S783-L785 VanDerWaalsContact C-N 3.26Å; L785-A789 HydrophobicContact CD1-CB 4.01Å
786	S	86.9	Confident	88.8	Confident	44 Å²	44	31.7 Å²	31.7	31%	0.308	17%	0.17	S	C	.	.			trans	-146.2	172.6	-178	67.9	0	0	0	0	110.5	V725 E784 A788 A789	V725-S786 WeakPolarHBondContact CG1-O 2.94Å; E784-S786 PolarHBondContact O-N 3.07Å; E784-S786 VanDerWaalsContact O-N 3.11Å; S786-A788 PolarHBondContact O-N 3.45Å; S786-A788 WeakPolarHBondContact OG-CB 3.44Å; S786-A788 PolarHBondContact OG-N 3.45Å; S786-A789 VanDerWaalsContact O-CB 3.29Å; S786-A789 WeakPolarHBondContact O-CB 3.38Å; S786-A789 PolarHBondContact O-N 2.91Å
787	V	87.3	Confident	88.9	Confident	31 Å²	31	31.5 Å²	31.5	19%	0.188	17%	0.169	C	C	.	.	H	α-helix	trans	-56.4	-23.1	174.4	-177.3	0	0	0	0	111.8	E720 V725 A789 D790	E720-V787 HydrophobicContact CB-CG1 3.82Å; E720-V787 HydrophobicContact CG-CG1 3.8Å; V725-V787 HydrophobicContact CG2-CG2 3.88Å; V787-A789 VanDerWaalsContact C-N 3.26Å; V787-A789 PolarHBondContact O-N 3.5Å; V787-D790 PolarHBondContact O-N 3.23Å
788	A	88.5	Confident	88.9	Confident	12 Å²	12	31.2 Å²	31.2	10%	0.099	17%	0.167	C	C	.	.	H	α-helix	trans	-64	-30.2	174.7	0	0	0	0	0	113.4	S786 D790 K791 W792 P847 R850	S786-A788 PolarHBondContact O-N 3.45Å; S786-A788 WeakPolarHBondContact OG-CB 3.44Å; S786-A788 PolarHBondContact OG-N 3.45Å; A788-D790 VanDerWaalsContact C-N 3.32Å; A788-D790 PolarHBondContact O-N 3.32Å; A788-K791 WeakPolarHBondContact O-CB 3.49Å; A788-K791 PolarHBondContact O-N 3.1Å; A788-W792 PolarHBondContact O-N 3.02Å; A788-P847 HydrophobicContact CB-CB 3.63Å; A788-R850 VanDerWaalsContact C-NH1 3.32Å; A788-R850 WeakPolarHBondContact O-CD 3.46Å; A788-R850 PolarHBondContact O-NH1 3.35Å
789	A	92.5	Very high	89	Confident	6 Å²	6	32.4 Å²	32.4	5%	0.05	17%	0.172	C	C	.	.	H	α-helix	trans	-65.5	-36.5	178.2	0	0	0	0	0	111.7	A775 L785 S786 V787 K791 W792 G793	A775-A789 HydrophobicContact CB-CB 3.94Å; L785-A789 HydrophobicContact CD1-CB 4.01Å; S786-A789 VanDerWaalsContact O-CB 3.29Å; S786-A789 WeakPolarHBondContact O-CB 3.38Å; S786-A789 PolarHBondContact O-N 2.91Å; V787-A789 VanDerWaalsContact C-N 3.26Å; V787-A789 PolarHBondContact O-N 3.5Å; A789-K791 VanDerWaalsContact C-N 3.3Å; A789-K791 PolarHBondContact O-N 2.8Å; A789-W792 WeakPolarHBondContact O-CB 3.44Å; A789-W792 PolarHBondContact O-N 3.1Å; A789-G793 PolarHBondContact O-N 3.37Å
790	D	95.1	Very high	89.2	Confident	4 Å²	4	31.7 Å²	31.7	2%	0.021	17%	0.167	C	C	.	.	H	α-helix	trans	-67.3	-30.9	177.3	-70.4	-23.8	0	0	0	112.4	H726 G727 V729 V787 A788 G793 F794 F853	H726-D790 PolarHBondContact N-OD2 2.71Å; G727-D790 WeakPolarHBondContact CA-OD1 3.45Å; G727-D790 PolarHBondContact N-OD1 3.01Å; V729-D790 HydrophobicContact CG2-CB 4.44Å; V787-D790 PolarHBondContact O-N 3.23Å; A788-D790 VanDerWaalsContact C-N 3.32Å; A788-D790 PolarHBondContact O-N 3.32Å; D790-G793 PolarHBondContact O-N 3.32Å; D790-F794 VanDerWaalsContact O-CB 3.28Å; D790-F794 WeakPolarHBondContact O-CB 3.47Å; D790-F794 PolarHBondContact O-N 3.3Å; D790-F853 HydrophobicContact CB-CE2 4.02Å; D790-F853 HydrophobicContact CB-CZ 4.13Å
791	K	94.3	Very high	89.4	Confident	10 Å²	10	23.8 Å²	23.8	4%	0.043	14%	0.137	C	C	.	.	H	α-helix	trans	-66.3	-40.3	175	-65	162.8	-177.1	163.7	0	111.3	E720 A788 A789 G795 C842 R850 P851 F852 F853	E720-K791 WeakPolarHBondContact OE1-CE 3.47Å; E720-K791 IonicContact OE1-NZ 3.83Å; E720-K791 PolarHBondContact OE1-NZ 2.99Å; A788-K791 WeakPolarHBondContact O-CB 3.49Å; A788-K791 PolarHBondContact O-N 3.1Å; A789-K791 VanDerWaalsContact C-N 3.3Å; A789-K791 PolarHBondContact O-N 2.8Å; K791-G795 PolarHBondContact O-N 3.13Å; K791-C842 WeakPolarHBondContact O-CB 3.19Å; K791-R850 HydrophobicContact CB-CB 4.09Å; K791-R850 HydrophobicContact CD-CB 3.94Å; K791-P851 WeakPolarHBondContact CD-O 3.43Å; K791-P851 VanDerWaalsContact CE-O 3.26Å; K791-P851 WeakPolarHBondContact CE-O 3.26Å; K791-F852 VanDerWaalsContact NZ-CD1 3.34Å; K791-F853 HydrophobicContact CB-CZ 4.47Å; K791-F853 HydrophobicContact CG-CD2 4.19Å; K791-F853 HydrophobicContact CG-CE2 3.69Å; K791-F853 HydrophobicContact CG-CZ 3.88Å
792	W	95.8	Very high	89.7	Confident	7 Å²	7	21.9 Å²	21.9	3%	0.027	13%	0.129	C	C	.	.	H	α-helix	trans	-63.6	-51.5	172.3	179.3	-78.2	0	0	0	110.8	P772 A775 P776 A788 A789 F794 G795 T796 Y821 M843 Y845	P772-W792 PolarHBondContact O-NE1 3.22Å; A775-W792 HydrophobicContact CB-CB 3.83Å; A775-W792 HydrophobicContact CB-CD2 4.47Å; A775-W792 HydrophobicContact CB-CG 3.86Å; P776-W792 HydrophobicContact CG-CD2 4.38Å; P776-W792 HydrophobicContact CG-CE3 4.18Å; P776-W792 HydrophobicContact CG-CH2 3.49Å; P776-W792 VanDerWaalsContact CG-CH2 3.49Å; P776-W792 HydrophobicContact CG-CZ2 3.71Å; P776-W792 HydrophobicContact CG-CZ3 3.73Å; A788-W792 PolarHBondContact O-N 3.02Å; A789-W792 WeakPolarHBondContact O-CB 3.44Å; A789-W792 PolarHBondContact O-N 3.1Å; W792-F794 VanDerWaalsContact C-N 3.27Å; W792-F794 PolarHBondContact O-N 3.27Å; W792-G795 PolarHBondContact O-N 3.32Å; W792-T796 PolarHBondContact O-N 3.39Å; W792-T796 PolarHBondContact O-OG1 3.07Å; W792-Y821 AromaticContact CZ2-CE1 3.83Å; W792-Y821 HydrophobicContact CZ2-CE1 3.83Å; W792-Y821 AromaticContact CZ2-CZ 3.89Å; W792-Y821 PolarHBondContact NE1-OH 3.08Å; W792-M843 HydrophobicContact CD2-CB 4.47Å; W792-M843 HydrophobicContact CE3-CB 4.14Å; W792-M843 HydrophobicContact CH2-CB 4.35Å; W792-M843 HydrophobicContact CZ3-CB 4.09Å; W792-M843 WeakPolarHBondContact CZ3-O 3.5Å; W792-Y845 HydrophobicContact CH2-CD1 4.23Å; W792-Y845 HydrophobicContact CH2-CD2 4.22Å; W792-Y845 AromaticContact CH2-CE1 3.95Å; W792-Y845 HydrophobicContact CH2-CE1 3.95Å; W792-Y845 AromaticContact CH2-CE2 3.96Å; W792-Y845 HydrophobicContact CH2-CE2 3.96Å; W792-Y845 HydrophobicContact CH2-CG 4.34Å; W792-Y845 AromaticContact CH2-CZ 3.81Å; W792-Y845 HydrophobicContact CZ3-CD1 4.45Å; W792-Y845 HydrophobicContact CZ3-CD2 4.33Å; W792-Y845 HydrophobicContact CZ3-CG 4.3Å
793	G	95	Very high	90.1	Very high	1 Å²	1	23.2 Å²	23.2	1%	0.01	13%	0.129	C	C	.	.	H	α-helix	trans	-55.1	-42.2	177.1	0	0	0	0	0	112.5	A789 D790 T796 T797	A789-G793 PolarHBondContact O-N 3.37Å; D790-G793 PolarHBondContact O-N 3.32Å; G793-T796 WeakPolarHBondContact CA-OG1 3.27Å; G793-T796 PolarHBondContact O-N 3.19Å; G793-T796 PolarHBondContact O-OG1 2.85Å; G793-T797 WeakPolarHBondContact O-CB 3.49Å; G793-T797 PolarHBondContact O-N 2.88Å; G793-T797 PolarHBondContact O-OG1 3.25Å
794	F	96.1	Very high	90.7	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-58.6	-49.6	172.8	176.5	-95.9	0	0	0	112.1	L712 A713 L716 D790 W792 T796 T797 L798 F853 I856 L860	L712-F794 HydrophobicContact CB-CE2 4.21Å; L712-F794 HydrophobicContact CD2-CD2 3.62Å; L712-F794 HydrophobicContact CD2-CE2 3.85Å; L712-F794 HydrophobicContact CG-CD2 3.85Å; L712-F794 HydrophobicContact CG-CE2 3.99Å; A713-F794 HydrophobicContact CB-CE2 3.9Å; A713-F794 HydrophobicContact CB-CZ 4.01Å; L716-F794 HydrophobicContact CD1-CB 3.95Å; L716-F794 HydrophobicContact CD1-CD2 3.73Å; L716-F794 HydrophobicContact CD1-CG 4.24Å; D790-F794 VanDerWaalsContact O-CB 3.28Å; D790-F794 WeakPolarHBondContact O-CB 3.47Å; D790-F794 PolarHBondContact O-N 3.3Å; W792-F794 VanDerWaalsContact C-N 3.27Å; W792-F794 PolarHBondContact O-N 3.27Å; F794-T796 VanDerWaalsContact C-N 3.33Å; F794-T796 PolarHBondContact O-N 3.3Å; F794-T797 PolarHBondContact O-N 3.2Å; F794-L798 HydrophobicContact CE1-CD2 4.19Å; F794-L798 WeakPolarHBondContact O-CB 3.46Å; F794-L798 PolarHBondContact O-N 3.36Å; F794-F853 HydrophobicContact CB-CE1 3.88Å; F794-F853 HydrophobicContact CB-CZ 4.12Å; F794-F853 HydrophobicContact CD1-CE1 4.4Å; F794-F853 HydrophobicContact CD2-CE1 4.15Å; F794-F853 AromaticContact CG-CE1 3.88Å; F794-F853 HydrophobicContact CG-CE1 3.88Å; F794-I856 HydrophobicContact CD1-CD1 4.32Å; F794-I856 HydrophobicContact CD1-CG2 4.28Å; F794-I856 HydrophobicContact CE1-CG2 3.53Å; F794-I856 HydrophobicContact CZ-CG2 3.85Å; F794-L860 HydrophobicContact CZ-CD1 4.3Å
795	G	93.9	Very high	90.8	Very high	0 Å²	0	17 Å²	17	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-59.1	-42.2	178	0	0	0	0	0	113	K791 W792 L798 W799	K791-G795 PolarHBondContact O-N 3.13Å; W792-G795 PolarHBondContact O-N 3.32Å; G795-L798 PolarHBondContact O-N 3.04Å; G795-W799 PolarHBondContact O-N 3.3Å; G795-W799 VanDerWaalsContact O-N 3.09Å
796	T	93.9	Very high	90.9	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-70.5	-32.5	175.7	53.7	0	0	0	0	113.5	P772 W792 G793 F794 W799 E800 L827 M843	P772-T796 HydrophobicContact CB-CG2 4.15Å; P772-T796 HydrophobicContact CG-CG2 4.37Å; P772-T796 WeakPolarHBondContact O-CG2 3.45Å; W792-T796 PolarHBondContact O-N 3.39Å; W792-T796 PolarHBondContact O-OG1 3.07Å; G793-T796 WeakPolarHBondContact CA-OG1 3.27Å; G793-T796 PolarHBondContact O-N 3.19Å; G793-T796 PolarHBondContact O-OG1 2.85Å; F794-T796 VanDerWaalsContact C-N 3.33Å; F794-T796 PolarHBondContact O-N 3.3Å; T796-W799 VanDerWaalsContact O-CB 3.3Å; T796-W799 WeakPolarHBondContact O-CB 3.25Å; T796-W799 PolarHBondContact O-N 3.03Å; T796-E800 PolarHBondContact O-N 3.03Å; T796-L827 HydrophobicContact CG2-CD1 4.25Å; T796-M843 HydrophobicContact CG2-CG 4.08Å; T796-M843 HydrophobicContact CG2-SD 3.53Å; T796-M843 VanDerWaalsContact CG2-SD 3.53Å
797	T	94.8	Very high	90.8	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-72.6	-36.5	175.9	-56	0	0	0	0	111	L712 V729 C730 A731 I734 G793 F794 W799 E800 I801	L712-T797 HydrophobicContact CD2-CG2 4.1Å; V729-T797 PolarHBondContact O-OG1 3.33Å; V729-T797 VanDerWaalsContact O-OG1 3.07Å; C730-T797 VanDerWaalsContact CA-OG1 3.3Å; C730-T797 WeakPolarHBondContact CA-OG1 3.32Å; A731-T797 HydrophobicContact CB-CG2 4.22Å; I734-T797 HydrophobicContact CD1-CG2 3.55Å; G793-T797 WeakPolarHBondContact O-CB 3.49Å; G793-T797 PolarHBondContact O-N 2.88Å; G793-T797 PolarHBondContact O-OG1 3.25Å; F794-T797 PolarHBondContact O-N 3.2Å; T797-W799 VanDerWaalsContact C-N 3.27Å; T797-W799 PolarHBondContact O-N 3.43Å; T797-E800 WeakPolarHBondContact O-CB 3.46Å; T797-E800 PolarHBondContact O-N 2.67Å; T797-I801 HydrophobicContact CG2-CD1 4.17Å; T797-I801 VanDerWaalsContact O-CG1 3.31Å; T797-I801 WeakPolarHBondContact O-CG1 3.33Å; T797-I801 PolarHBondContact O-N 3.37Å
798	L	91.7	Very high	90.7	Very high	4 Å²	4	17.9 Å²	17.9	2%	0.021	9%	0.09	C	C	.	.	H	α-helix	trans	-63.7	-36.6	173.2	-173	59.9	0	0	0	111.1	A709 F794 G795 I801 C802 L835 M839	A709-L798 HydrophobicContact CB-CD1 3.64Å; F794-L798 HydrophobicContact CE1-CD2 4.19Å; F794-L798 WeakPolarHBondContact O-CB 3.46Å; F794-L798 PolarHBondContact O-N 3.36Å; G795-L798 PolarHBondContact O-N 3.04Å; L798-I801 PolarHBondContact O-N 2.96Å; L798-C802 WeakPolarHBondContact O-CB 3.47Å; L798-C802 PolarHBondContact O-N 3.36Å; L798-C802 PolarHBondContact O-SG 3.16Å; L798-L835 HydrophobicContact CD1-CD1 4.33Å; L798-L835 HydrophobicContact CD2-CD1 3.67Å; L798-L835 HydrophobicContact CD2-CG 4.27Å; L798-L835 HydrophobicContact CG-CD1 4.31Å; L798-M839 HydrophobicContact CB-CG 4.27Å; L798-M839 HydrophobicContact CD2-CG 3.49Å; L798-M839 VanDerWaalsContact CD2-CG 3.49Å; L798-M839 HydrophobicContact CD2-SD 4.27Å; L798-M839 HydrophobicContact CG-CG 3.9Å; L798-M839 HydrophobicContact CG-SD 4.12Å
799	W	91.8	Very high	90.7	Very high	26 Å²	26	18.8 Å²	18.8	10%	0.098	9%	0.093	C	C	.	.	H	α-helix	trans	-58.3	-52.1	169.3	-170.2	96.9	0	0	0	111.2	G795 T796 T797 I801 C802 Y803 E806 P808 L827 A828 M839	G795-W799 PolarHBondContact O-N 3.3Å; G795-W799 VanDerWaalsContact O-N 3.09Å; T796-W799 VanDerWaalsContact O-CB 3.3Å; T796-W799 WeakPolarHBondContact O-CB 3.25Å; T796-W799 PolarHBondContact O-N 3.03Å; T797-W799 VanDerWaalsContact C-N 3.27Å; T797-W799 PolarHBondContact O-N 3.43Å; W799-I801 VanDerWaalsContact C-N 3.28Å; W799-I801 PolarHBondContact O-N 3.46Å; W799-C802 PolarHBondContact O-N 2.89Å; W799-Y803 AromaticContact CD1-CD2 3.93Å; W799-Y803 AromaticContact CD1-CE2 3.66Å; W799-Y803 AromaticContact CD2-CD2 3.6Å; W799-Y803 HydrophobicContact CD2-CD2 3.6Å; W799-Y803 HydrophobicContact CD2-CE2 4.07Å; W799-Y803 HydrophobicContact CD2-CG 4.4Å; W799-Y803 AromaticContact CE2-CD2 3.34Å; W799-Y803 AromaticContact CE2-CE2 3.46Å; W799-Y803 VanDerWaalsContact CE2-CE2 3.46Å; W799-Y803 HydrophobicContact CE3-CD2 4.13Å; W799-Y803 AromaticContact CG-CD2 3.96Å; W799-Y803 HydrophobicContact CG-CD2 3.96Å; W799-Y803 HydrophobicContact CG-CE2 4.17Å; W799-Y803 HydrophobicContact CH2-CD2 4.17Å; W799-Y803 HydrophobicContact CH2-CG 4.08Å; W799-Y803 HydrophobicContact CZ2-CD1 4.37Å; W799-Y803 AromaticContact CZ2-CD2 3.67Å; W799-Y803 HydrophobicContact CZ2-CD2 3.67Å; W799-Y803 AromaticContact CZ2-CE2 3.89Å; W799-Y803 HydrophobicContact CZ2-CE2 3.89Å; W799-Y803 AromaticContact CZ2-CG 3.92Å; W799-Y803 HydrophobicContact CZ2-CG 3.92Å; W799-Y803 HydrophobicContact CZ3-CD2 4.37Å; W799-Y803 HydrophobicContact CZ3-CG 4.39Å; W799-Y803 AromaticContact NE1-CD2 3.56Å; W799-Y803 AromaticContact NE1-CE2 3.19Å; W799-Y803 WeakPolarHBondContact O-CD2 3.16Å; W799-Y803 PolarHBondContact O-N 3.46Å; W799-E806 HydrophobicContact CZ3-CB 4.44Å; W799-P808 HydrophobicContact CD2-CB 4.19Å; W799-P808 HydrophobicContact CE3-CB 3.58Å; W799-P808 HydrophobicContact CE3-CG 3.68Å; W799-P808 HydrophobicContact CH2-CB 3.95Å; W799-P808 HydrophobicContact CZ2-CB 4.48Å; W799-P808 HydrophobicContact CZ3-CB 3.46Å; W799-P808 VanDerWaalsContact CZ3-CB 3.46Å; W799-P808 HydrophobicContact CZ3-CG 3.82Å; W799-L827 HydrophobicContact CG-CD1 4.27Å; W799-A828 PolarHBondContact NE1-O 3.34Å; W799-M839 HydrophobicContact CB-CE 3.4Å; W799-M839 HydrophobicContact CG-CE 3.87Å
800	E	91.8	Very high	90.3	Very high	3 Å²	3	25.4 Å²	25.4	1%	0.014	12%	0.121	C	C	.	.	H	α-helix	trans	-56.1	-41.3	178.6	-178	175	-159	0	0	112	A731 W773 T796 T797 Y803 G805	A731-E800 HydrophobicContact CB-CG 3.9Å; A731-E800 WeakPolarHBondContact CB-OE2 3.49Å; A731-E800 PolarHBondContact N-OE2 3.15Å; W773-E800 PolarHBondContact NE1-OE2 2.89Å; T796-E800 PolarHBondContact O-N 3.03Å; T797-E800 WeakPolarHBondContact O-CB 3.46Å; T797-E800 PolarHBondContact O-N 2.67Å; E800-Y803 CarbonylContact O-C 3.54Å; E800-G805 WeakPolarHBondContact O-CA 3.48Å; E800-G805 PolarHBondContact O-N 3.29Å
801	I	89.8	Confident	89.9	Confident	0 Å²	0	34.3 Å²	34.3	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-67.5	-39.7	176.2	-65.8	163.7	0	0	0	111.8	L689 I693 K705 V708 T797 L798 W799 D804	L689-I801 HydrophobicContact CD2-CD1 4.03Å; L689-I801 HydrophobicContact CD2-CG1 4Å; I693-I801 HydrophobicContact CD1-CG1 4.4Å; K705-I801 HydrophobicContact CB-CG2 3.81Å; K705-I801 HydrophobicContact CD-CG2 4.39Å; K705-I801 WeakPolarHBondContact CD-O 3.29Å; K705-I801 VanDerWaalsContact CE-O 3.27Å; K705-I801 WeakPolarHBondContact CE-O 3.28Å; K705-I801 HydrophobicContact CG-CG2 3.81Å; V708-I801 HydrophobicContact CG1-CD1 3.96Å; T797-I801 HydrophobicContact CG2-CD1 4.17Å; T797-I801 VanDerWaalsContact O-CG1 3.31Å; T797-I801 WeakPolarHBondContact O-CG1 3.33Å; T797-I801 PolarHBondContact O-N 3.37Å; L798-I801 PolarHBondContact O-N 2.96Å; W799-I801 VanDerWaalsContact C-N 3.28Å; W799-I801 PolarHBondContact O-N 3.46Å; I801-D804 PolarHBondContact O-N 2.93Å
802	C	88.1	Confident	89.6	Confident	24 Å²	24	39 Å²	39	16%	0.162	18%	0.183	C	C	.	.	H	α-helix	trans	-66.7	-39.6	-179.9	-70.6	0	0	0	0	112.1	K705 L798 W799 D804 P830 L835	K705-C802 PolarHBondContact NZ-O 3.01Å; L798-C802 WeakPolarHBondContact O-CB 3.47Å; L798-C802 PolarHBondContact O-N 3.36Å; L798-C802 PolarHBondContact O-SG 3.16Å; W799-C802 PolarHBondContact O-N 2.89Å; C802-D804 VanDerWaalsContact C-N 3.27Å; C802-D804 PolarHBondContact O-N 3.39Å; C802-P830 HydrophobicContact CB-CB 4.41Å; C802-P830 HydrophobicContact CB-CG 4.45Å; C802-L835 VanDerWaalsContact SG-CD2 3.54Å
803	Y	87.9	Confident	89.4	Confident	75 Å²	75	45.9 Å²	45.9	29%	0.294	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.2	35.4	179.3	-70.8	-87.4	0	0	0	112.8	W799 E800 G805 E806 A828 T829	W799-Y803 AromaticContact CD1-CD2 3.93Å; W799-Y803 AromaticContact CD1-CE2 3.66Å; W799-Y803 AromaticContact CD2-CD2 3.6Å; W799-Y803 HydrophobicContact CD2-CD2 3.6Å; W799-Y803 HydrophobicContact CD2-CE2 4.07Å; W799-Y803 HydrophobicContact CD2-CG 4.4Å; W799-Y803 AromaticContact CE2-CD2 3.34Å; W799-Y803 AromaticContact CE2-CE2 3.46Å; W799-Y803 VanDerWaalsContact CE2-CE2 3.46Å; W799-Y803 HydrophobicContact CE3-CD2 4.13Å; W799-Y803 AromaticContact CG-CD2 3.96Å; W799-Y803 HydrophobicContact CG-CD2 3.96Å; W799-Y803 HydrophobicContact CG-CE2 4.17Å; W799-Y803 HydrophobicContact CH2-CD2 4.17Å; W799-Y803 HydrophobicContact CH2-CG 4.08Å; W799-Y803 HydrophobicContact CZ2-CD1 4.37Å; W799-Y803 AromaticContact CZ2-CD2 3.67Å; W799-Y803 HydrophobicContact CZ2-CD2 3.67Å; W799-Y803 AromaticContact CZ2-CE2 3.89Å; W799-Y803 HydrophobicContact CZ2-CE2 3.89Å; W799-Y803 AromaticContact CZ2-CG 3.92Å; W799-Y803 HydrophobicContact CZ2-CG 3.92Å; W799-Y803 HydrophobicContact CZ3-CD2 4.37Å; W799-Y803 HydrophobicContact CZ3-CG 4.39Å; W799-Y803 AromaticContact NE1-CD2 3.56Å; W799-Y803 AromaticContact NE1-CE2 3.19Å; W799-Y803 WeakPolarHBondContact O-CD2 3.16Å; W799-Y803 PolarHBondContact O-N 3.46Å; E800-Y803 CarbonylContact O-C 3.54Å; Y803-G805 VanDerWaalsContact C-N 3.28Å; Y803-G805 PolarHBondContact O-N 3.21Å; Y803-G805 VanDerWaalsContact O-N 3.13Å; Y803-E806 VanDerWaalsContact O-CB 3.29Å; Y803-E806 WeakPolarHBondContact O-CB 3.46Å; Y803-E806 WeakPolarHBondContact O-CG 3.5Å; Y803-E806 PolarHBondContact O-N 2.84Å; Y803-A828 WeakPolarHBondContact CE2-O 3.2Å; Y803-A828 PolarHBondContact OH-O 3.13Å; Y803-T829 VanDerWaalsContact OH-C 3.3Å; Y803-T829 PolarHBondContact OH-O 3.23Å; Y803-T829 VanDerWaalsContact OH-O 3.09Å
804	D	86.3	Confident	89.1	Confident	57 Å²	57	48.4 Å²	48.4	31%	0.305	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.1	39	169.8	-60.4	-46.4	0	0	0	114.9	I693 K705 I801 C802 E806	I693-D804 VanDerWaalsContact CG2-CA 3.4Å; I693-D804 HydrophobicContact CG2-CB 3.98Å; I693-D804 WeakPolarHBondContact CG2-O 3.43Å; K705-D804 VanDerWaalsContact CE-OD1 3.23Å; K705-D804 WeakPolarHBondContact CE-OD1 3.35Å; K705-D804 IonicContact NZ-OD1 2.74Å; K705-D804 PolarHBondContact NZ-OD1 3.44Å; K705-D804 IonicContact NZ-OD2 2.71Å; I801-D804 PolarHBondContact O-N 2.93Å; C802-D804 VanDerWaalsContact C-N 3.27Å; C802-D804 PolarHBondContact O-N 3.39Å; D804-E806 VanDerWaalsContact C-N 3.32Å
805	G	81.4	Confident	88.7	Confident	0 Å²	0	52.3 Å²	52.3	0%	0	25%	0.25	C	S	.	.	T	Hydrogen-bonded Turn	trans	77.8	14.5	177.4	0	0	0	0	0	114.1	R694 E800 Y803	R694-G805 WeakPolarHBondContact CD-O 3.34Å; R694-G805 PolarHBondContact NH1-O 2.82Å; E800-G805 WeakPolarHBondContact O-CA 3.48Å; E800-G805 PolarHBondContact O-N 3.29Å; Y803-G805 VanDerWaalsContact C-N 3.28Å; Y803-G805 PolarHBondContact O-N 3.21Å; Y803-G805 VanDerWaalsContact O-N 3.13Å
806	E	85.6	Confident	88.5	Confident	98 Å²	98	56 Å²	56	46%	0.458	27%	0.267	S	S	.	.			trans	-63.4	144.3	170.8	-78.3	-61.6	156	0	0	111.6	W799 Y803 D804 P808	W799-E806 HydrophobicContact CZ3-CB 4.44Å; Y803-E806 VanDerWaalsContact O-CB 3.29Å; Y803-E806 WeakPolarHBondContact O-CB 3.46Å; Y803-E806 WeakPolarHBondContact O-CG 3.5Å; Y803-E806 PolarHBondContact O-N 2.84Å; D804-E806 VanDerWaalsContact C-N 3.32Å; E806-P808 VanDerWaalsContact O-CD 3.27Å; E806-P808 WeakPolarHBondContact O-CD 3.44Å
807	V	84.8	Confident	88.4	Confident	48 Å²	48	56.7 Å²	56.7	29%	0.291	27%	0.27	S	S	.	.			trans	-84.9	115.5	179.7	168.7	0	0	0	0	109.1	W773 L809 K810	W773-V807 HydrophobicContact CH2-CB 4.41Å; W773-V807 HydrophobicContact CH2-CG1 3.69Å; W773-V807 HydrophobicContact CH2-CG2 4.39Å; W773-V807 HydrophobicContact CZ3-CG1 4.33Å; V807-L809 PolarHBondContact O-N 3.28Å; V807-K810 HydrophobicContact CB-CB 4.06Å; V807-K810 HydrophobicContact CB-CD 4.31Å; V807-K810 HydrophobicContact CB-CG 4.31Å; V807-K810 HydrophobicContact CG1-CB 3.98Å; V807-K810 HydrophobicContact CG1-CG 4.36Å; V807-K810 WeakPolarHBondContact O-CB 3.17Å; V807-K810 PolarHBondContact O-N 3.42Å
808	P	86.1	Confident	88.1	Confident	0 Å²	0	58.9 Å²	58.9	0%	0	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.8	138.7	177.9	18.6	-24.7	0	0	0	111.1	P772 W773 W799 E806 K810 L827	P772-P808 HydrophobicContact CG-CB 3.68Å; P772-P808 HydrophobicContact CG-CG 3.55Å; W773-P808 HydrophobicContact CH2-CG 4.47Å; W773-P808 HydrophobicContact CZ2-CG 4.15Å; W799-P808 HydrophobicContact CD2-CB 4.19Å; W799-P808 HydrophobicContact CE3-CB 3.58Å; W799-P808 HydrophobicContact CE3-CG 3.68Å; W799-P808 HydrophobicContact CH2-CB 3.95Å; W799-P808 HydrophobicContact CZ2-CB 4.48Å; W799-P808 HydrophobicContact CZ3-CB 3.46Å; W799-P808 VanDerWaalsContact CZ3-CB 3.46Å; W799-P808 HydrophobicContact CZ3-CG 3.82Å; E806-P808 VanDerWaalsContact O-CD 3.27Å; E806-P808 WeakPolarHBondContact O-CD 3.44Å; P808-K810 PolarHBondContact O-N 2.94Å; P808-L827 HydrophobicContact CB-CD1 4.2Å; P808-L827 HydrophobicContact CB-CD2 4.09Å
809	L	87.1	Confident	88	Confident	32 Å²	32	66.7 Å²	66.7	17%	0.168	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	57.9	27.3	-178.3	-50.5	174.9	0	0	0	114.4	I771 P772 V807 E811 K812 K817 F820 L827	I771-L809 HydrophobicContact CG2-CD1 4.11Å; P772-L809 HydrophobicContact CB-CD1 4.31Å; P772-L809 HydrophobicContact CG-CD1 4.39Å; V807-L809 PolarHBondContact O-N 3.28Å; L809-E811 VanDerWaalsContact C-N 3.28Å; L809-E811 PolarHBondContact O-N 3.26Å; L809-K812 HydrophobicContact CB-CB 4.33Å; L809-K812 HydrophobicContact CB-CG 4.14Å; L809-K812 HydrophobicContact CD2-CG 4.29Å; L809-K812 WeakPolarHBondContact O-CB 3.31Å; L809-K812 PolarHBondContact O-N 3.46Å; L809-K812 VanDerWaalsContact O-N 3.11Å; L809-K817 WeakPolarHBondContact O-CE 3.4Å; L809-F820 HydrophobicContact CD1-CD1 3.84Å; L809-F820 HydrophobicContact CD1-CD2 4.4Å; L809-F820 HydrophobicContact CD1-CE1 4.03Å; L809-F820 HydrophobicContact CD1-CG 4.06Å; L809-F820 HydrophobicContact CD1-CZ 4.38Å; L809-F820 HydrophobicContact CD2-CD2 4.17Å; L809-F820 HydrophobicContact CD2-CE2 4.04Å; L809-F820 HydrophobicContact CD2-CZ 4.39Å; L809-L827 HydrophobicContact CD1-CD2 4.35Å; L809-L827 HydrophobicContact CD2-CD2 4.04Å; L809-L827 HydrophobicContact CG-CD2 3.96Å
810	K	84.6	Confident	88	Confident	145 Å²	145	66.9 Å²	66.9	63%	0.63	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.4	-39.5	-179.1	-173	-179.4	-179.1	-178.8	0	114.2	V807 P808 K812	V807-K810 HydrophobicContact CB-CB 4.06Å; V807-K810 HydrophobicContact CB-CD 4.31Å; V807-K810 HydrophobicContact CB-CG 4.31Å; V807-K810 HydrophobicContact CG1-CB 3.98Å; V807-K810 HydrophobicContact CG1-CG 4.36Å; V807-K810 WeakPolarHBondContact O-CB 3.17Å; V807-K810 PolarHBondContact O-N 3.42Å; P808-K810 PolarHBondContact O-N 2.94Å; K810-K812 VanDerWaalsContact C-N 3.31Å; K810-K812 PolarHBondContact O-N 3.26Å
811	E	86.2	Confident	88	Confident	190 Å²	190	67.3 Å²	67.3	89%	0.888	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.1	-6.8	-176.6	-59.8	-172.6	166.2	0	0	113.8	L809	L809-E811 VanDerWaalsContact C-N 3.28Å; L809-E811 PolarHBondContact O-N 3.26Å
812	K	88.6	Confident	87.9	Confident	108 Å²	108	73.7 Å²	73.7	47%	0.47	34%	0.343	S	S	.	.			trans	-86.4	133.9	-176.8	-61.8	-61.7	-174	-177.5	0	111.5	L809 K810 E816 K817	L809-K812 HydrophobicContact CB-CB 4.33Å; L809-K812 HydrophobicContact CB-CG 4.14Å; L809-K812 HydrophobicContact CD2-CG 4.29Å; L809-K812 WeakPolarHBondContact O-CB 3.31Å; L809-K812 PolarHBondContact O-N 3.46Å; L809-K812 VanDerWaalsContact O-N 3.11Å; K810-K812 VanDerWaalsContact C-N 3.31Å; K810-K812 PolarHBondContact O-N 3.26Å; K812-E816 WeakPolarHBondContact CA-OE2 3.49Å; K812-E816 HydrophobicContact CB-CB 4.08Å; K812-E816 HydrophobicContact CD-CB 4.18Å; K812-K817 HydrophobicContact CB-CG 4Å
813	K	91.1	Very high	87.9	Confident	152 Å²	152	75 Å²	75	66%	0.661	36%	0.355	S	S	*	.			trans	-67	160.2	170	-64	-179.7	-179.3	177.3	0	110.6	T815 E816 K817	K813-T815 VanDerWaalsContact C-N 3.28Å; K813-T815 PolarHBondContact O-N 3.5Å; K813-E816 HydrophobicContact CB-CG 4.27Å; K813-E816 PolarHBondContact N-OE2 3.24Å; K813-E816 WeakPolarHBondContact O-CA 3.49Å; K813-E816 WeakPolarHBondContact O-CB 3.49Å; K813-E816 PolarHBondContact O-N 3.24Å; K813-K817 PolarHBondContact O-N 2.91Å
814	L	89.1	Confident	88	Confident	55 Å²	55	76.7 Å²	76.7	29%	0.288	37%	0.365	S	S	.	.	H	α-helix	trans	-54.3	-42.4	-179.9	-60.8	-178.5	0	0	0	112.8	E765 V768 H769 E816 K817 E818	E765-L814 HydrophobicContact CG-CD1 3.72Å; V768-L814 HydrophobicContact CG1-CB 3.85Å; V768-L814 HydrophobicContact CG1-CD2 4.09Å; V768-L814 HydrophobicContact CG1-CG 4.5Å; V768-L814 WeakPolarHBondContact CG1-O 3.1Å; H769-L814 HydrophobicContact CB-CD2 4Å; L814-E816 VanDerWaalsContact C-N 3.29Å; L814-E816 PolarHBondContact O-N 2.97Å; L814-K817 WeakPolarHBondContact O-CB 3.33Å; L814-K817 PolarHBondContact O-N 2.81Å; L814-E818 PolarHBondContact O-N 2.98Å
815	T	88.3	Confident	88.2	Confident	82 Å²	82	79.8 Å²	79.8	50%	0.503	38%	0.377	S	S	.	.	H	α-helix	trans	-65.4	-30.4	176.6	52.2	0	0	0	0	113.2	K813 R819	K813-T815 VanDerWaalsContact C-N 3.28Å; K813-T815 PolarHBondContact O-N 3.5Å; T815-R819 WeakPolarHBondContact O-CG 3.2Å; T815-R819 PolarHBondContact O-N 3.27Å; T815-R819 VanDerWaalsContact O-N 3.11Å
816	E	90.6	Very high	88.4	Confident	76 Å²	76	84.1 Å²	84.1	36%	0.355	40%	0.397	S	S	.	.	H	α-helix	trans	-77.1	-32.8	175.9	-61.9	176.5	135.5	0	0	111.4	K812 K813 L814 R819 F820	K812-E816 WeakPolarHBondContact CA-OE2 3.49Å; K812-E816 HydrophobicContact CB-CB 4.08Å; K812-E816 HydrophobicContact CD-CB 4.18Å; K813-E816 HydrophobicContact CB-CG 4.27Å; K813-E816 PolarHBondContact N-OE2 3.24Å; K813-E816 WeakPolarHBondContact O-CA 3.49Å; K813-E816 WeakPolarHBondContact O-CB 3.49Å; K813-E816 PolarHBondContact O-N 3.24Å; L814-E816 VanDerWaalsContact C-N 3.29Å; L814-E816 PolarHBondContact O-N 2.97Å; E816-R819 PolarHBondContact O-N 3.01Å; E816-F820 WeakPolarHBondContact O-CB 3.22Å; E816-F820 PolarHBondContact O-N 3.44Å
817	K	90.7	Very high	88.5	Confident	16 Å²	16	80.3 Å²	80.3	7%	0.07	38%	0.379	C	S	.	.	H	α-helix	trans	-65.8	-40.7	172	-68.7	-173.4	175.3	-159.9	0	111.8	V768 H769 I771 L809 K812 K813 L814 F820 Y821	V768-K817 HydrophobicContact CG1-CB 4.43Å; H769-K817 PolarHBondContact O-NZ 3.35Å; I771-K817 HydrophobicContact CB-CB 4.17Å; I771-K817 HydrophobicContact CB-CD 4.13Å; I771-K817 HydrophobicContact CD1-CB 4.23Å; I771-K817 HydrophobicContact CG2-CB 3.95Å; I771-K817 HydrophobicContact CG2-CD 4.34Å; I771-K817 HydrophobicContact CG2-CG 4.35Å; I771-K817 PolarHBondContact O-NZ 2.94Å; L809-K817 WeakPolarHBondContact O-CE 3.4Å; K812-K817 HydrophobicContact CB-CG 4Å; K813-K817 PolarHBondContact O-N 2.91Å; L814-K817 WeakPolarHBondContact O-CB 3.33Å; L814-K817 PolarHBondContact O-N 2.81Å; K817-F820 WeakPolarHBondContact O-CB 3.39Å; K817-F820 PolarHBondContact O-N 3.05Å; K817-Y821 PolarHBondContact O-N 2.99Å
818	E	88.4	Confident	88.4	Confident	46 Å²	46	81.3 Å²	81.3	22%	0.215	39%	0.393	C	S	.	.	H	α-helix	trans	-62.9	-48.2	172.4	-74.6	-174.4	121.7	0	0	111.3	R764 V768 L814 F820 Y821 E822	R764-E818 IonicContact CZ-OE1 3.47Å; R764-E818 IonicContact NE-OE1 2.73Å; R764-E818 PolarHBondContact NE-OE1 3.39Å; R764-E818 IonicContact NH2-OE1 2.69Å; R764-E818 PolarHBondContact NH2-OE1 3.02Å; V768-E818 HydrophobicContact CB-CG 4.37Å; V768-E818 HydrophobicContact CG1-CG 3.71Å; V768-E818 HydrophobicContact CG2-CG 3.63Å; L814-E818 PolarHBondContact O-N 2.98Å; E818-F820 PolarHBondContact O-N 3.4Å; E818-Y821 PolarHBondContact O-N 3.09Å; E818-E822 WeakPolarHBondContact O-CG 3.46Å; E818-E822 PolarHBondContact O-N 3.27Å
819	R	89.4	Confident	88	Confident	168 Å²	168	84.1 Å²	84.1	63%	0.634	41%	0.41	S	S	*	.	H	α-helix	trans	-59.1	-33.3	176	-75	178.7	-174.4	-179.8	2	113	T815 E816 Y821 E822 A823	T815-R819 WeakPolarHBondContact O-CG 3.2Å; T815-R819 PolarHBondContact O-N 3.27Å; T815-R819 VanDerWaalsContact O-N 3.11Å; E816-R819 PolarHBondContact O-N 3.01Å; R819-Y821 VanDerWaalsContact C-N 3.32Å; R819-E822 PolarHBondContact O-N 3Å; R819-A823 VanDerWaalsContact O-CB 3.25Å; R819-A823 WeakPolarHBondContact O-CB 3.4Å; R819-A823 PolarHBondContact O-N 3.46Å
820	F	91.3	Very high	87.5	Confident	30 Å²	30	83.8 Å²	83.8	13%	0.132	41%	0.409	C	S	.	.	H	α-helix	trans	-61.5	-40.9	175.4	-177.6	-88.7	0	0	0	111.6	L809 E816 K817 E818 E824 F825 L827 Y845	L809-F820 HydrophobicContact CD1-CD1 3.84Å; L809-F820 HydrophobicContact CD1-CD2 4.4Å; L809-F820 HydrophobicContact CD1-CE1 4.03Å; L809-F820 HydrophobicContact CD1-CG 4.06Å; L809-F820 HydrophobicContact CD1-CZ 4.38Å; L809-F820 HydrophobicContact CD2-CD2 4.17Å; L809-F820 HydrophobicContact CD2-CE2 4.04Å; L809-F820 HydrophobicContact CD2-CZ 4.39Å; E816-F820 WeakPolarHBondContact O-CB 3.22Å; E816-F820 PolarHBondContact O-N 3.44Å; K817-F820 WeakPolarHBondContact O-CB 3.39Å; K817-F820 PolarHBondContact O-N 3.05Å; E818-F820 PolarHBondContact O-N 3.4Å; F820-E824 PolarHBondContact O-N 2.92Å; F820-F825 HydrophobicContact CD1-CB 4.49Å; F820-F825 HydrophobicContact CD2-CB 3.57Å; F820-F825 AromaticContact CD2-CD2 3.97Å; F820-F825 HydrophobicContact CD2-CD2 3.97Å; F820-F825 HydrophobicContact CD2-CG 4.29Å; F820-F825 HydrophobicContact CE1-CB 4.32Å; F820-F825 WeakPolarHBondContact CE1-O 3.24Å; F820-F825 HydrophobicContact CE2-CB 3.38Å; F820-F825 HydrophobicContact CE2-CG 4.42Å; F820-F825 HydrophobicContact CG-CB 4.13Å; F820-F825 HydrophobicContact CZ-CB 3.79Å; F820-F825 VanDerWaalsContact CZ-O 3.25Å; F820-F825 WeakPolarHBondContact CZ-O 3.5Å; F820-F825 PolarHBondContact O-N 3.35Å; F820-F825 VanDerWaalsContact O-N 3.07Å; F820-L827 HydrophobicContact CZ-CD2 4.11Å; F820-L827 HydrophobicContact CZ-CG 4.43Å; F820-Y845 PolarHBondContact O-OH 3.4Å
821	Y	92.6	Very high	86.8	Confident	11 Å²	11	85 Å²	85	4%	0.043	42%	0.423	C	S	.	.	H	α-helix	trans	-76.3	-36	173.9	-80.3	6.9	0	0	0	113.6	I771 P772 I774 P776 V779 W792 K817 E818 R819 A823 E824 Y845	I771-Y821 HydrophobicContact CB-CE2 4.47Å; I771-Y821 HydrophobicContact CD1-CD2 3.69Å; I771-Y821 HydrophobicContact CD1-CE2 3.74Å; I771-Y821 HydrophobicContact CD1-CG 4.26Å; I771-Y821 HydrophobicContact CG1-CD2 4.13Å; I771-Y821 HydrophobicContact CG1-CE2 3.63Å; I771-Y821 HydrophobicContact CG2-CD1 4.3Å; I771-Y821 HydrophobicContact CG2-CE1 3.74Å; I771-Y821 HydrophobicContact CG2-CE2 4.2Å; P772-Y821 VanDerWaalsContact CA-OH 3.27Å; P772-Y821 WeakPolarHBondContact CA-OH 3.36Å; P772-Y821 PolarHBondContact O-OH 3.03Å; I774-Y821 WeakPolarHBondContact O-CE2 3.39Å; I774-Y821 PolarHBondContact O-OH 3.27Å; P776-Y821 HydrophobicContact CB-CD2 3.84Å; P776-Y821 HydrophobicContact CB-CE2 4.04Å; P776-Y821 HydrophobicContact CB-CG 4.28Å; P776-Y821 HydrophobicContact CG-CD1 4.44Å; P776-Y821 HydrophobicContact CG-CD2 4.06Å; P776-Y821 HydrophobicContact CG-CE1 4.33Å; P776-Y821 HydrophobicContact CG-CE2 3.89Å; P776-Y821 HydrophobicContact CG-CG 4.33Å; V779-Y821 HydrophobicContact CG2-CD2 4.25Å; V779-Y821 HydrophobicContact CG2-CE2 3.96Å; W792-Y821 AromaticContact CZ2-CE1 3.83Å; W792-Y821 HydrophobicContact CZ2-CE1 3.83Å; W792-Y821 AromaticContact CZ2-CZ 3.89Å; W792-Y821 PolarHBondContact NE1-OH 3.08Å; K817-Y821 PolarHBondContact O-N 2.99Å; E818-Y821 PolarHBondContact O-N 3.09Å; R819-Y821 VanDerWaalsContact C-N 3.32Å; Y821-A823 VanDerWaalsContact C-N 3.29Å; Y821-A823 PolarHBondContact O-N 2.93Å; Y821-E824 PolarHBondContact O-N 3.3Å; Y821-Y845 AromaticContact CD1-CE1 3.99Å; Y821-Y845 HydrophobicContact CD1-CE1 3.99Å; Y821-Y845 HydrophobicContact CG-CE1 4.29Å
822	E	87.9	Confident	86.4	Confident	135 Å²	135	79.5 Å²	79.5	63%	0.631	39%	0.394	S	S	*	.	H	α-helix	trans	-64.3	-35.8	175.9	-71	174	171.5	0	0	112.1	E818 R819 E824	E818-E822 WeakPolarHBondContact O-CG 3.46Å; E818-E822 PolarHBondContact O-N 3.27Å; R819-E822 PolarHBondContact O-N 3Å; E822-E824 VanDerWaalsContact C-N 3.32Å
823	A	88.5	Confident	85.7	Confident	50 Å²	50	82 Å²	82	41%	0.413	41%	0.405	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.4	1.5	176.8	0	0	0	0	0	113.8	R819 Y821 F825	R819-A823 VanDerWaalsContact O-CB 3.25Å; R819-A823 WeakPolarHBondContact O-CB 3.4Å; R819-A823 PolarHBondContact O-N 3.46Å; Y821-A823 VanDerWaalsContact C-N 3.29Å; Y821-A823 PolarHBondContact O-N 2.93Å; A823-F825 VanDerWaalsContact C-N 3.27Å; A823-F825 HydrophobicContact CB-CD1 4.25Å; A823-F825 HydrophobicContact CB-CD2 3.81Å; A823-F825 HydrophobicContact CB-CE1 3.99Å; A823-F825 HydrophobicContact CB-CE2 3.52Å; A823-F825 HydrophobicContact CB-CG 4.17Å; A823-F825 HydrophobicContact CB-CZ 3.62Å; A823-F825 PolarHBondContact O-N 3.27Å
824	E	89.9	Confident	84.9	Confident	111 Å²	111	78 Å²	78	52%	0.519	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.9	39.1	-179.3	-58.4	-169.9	166.6	0	0	114.4	F820 Y821 E822 Y845	F820-E824 PolarHBondContact O-N 2.92Å; Y821-E824 PolarHBondContact O-N 3.3Å; E822-E824 VanDerWaalsContact C-N 3.32Å; E824-Y845 VanDerWaalsContact C-CE2 3.43Å; E824-Y845 VanDerWaalsContact CA-CZ 3.5Å; E824-Y845 HydrophobicContact CB-CD1 4.28Å; E824-Y845 HydrophobicContact CB-CD2 3.95Å; E824-Y845 HydrophobicContact CB-CE1 4.35Å; E824-Y845 HydrophobicContact CB-CE2 4.01Å; E824-Y845 HydrophobicContact CB-CG 4.1Å; E824-Y845 HydrophobicContact CG-CD1 3.99Å; E824-Y845 HydrophobicContact CG-CD2 4.43Å; E824-Y845 HydrophobicContact CG-CE1 4.32Å; E824-Y845 HydrophobicContact CG-CG 4.06Å; E824-Y845 WeakPolarHBondContact O-CE2 3.37Å
825	F	89.2	Confident	84.5	Confident	123 Å²	123	76 Å²	76	54%	0.539	38%	0.379	S	S	.	.	P	Polyproline II helix	trans	-72.2	149.4	179.5	-68.1	-37.9	0	0	0	112.6	F820 A823 Y845	F820-F825 HydrophobicContact CD1-CB 4.49Å; F820-F825 HydrophobicContact CD2-CB 3.57Å; F820-F825 AromaticContact CD2-CD2 3.97Å; F820-F825 HydrophobicContact CD2-CD2 3.97Å; F820-F825 HydrophobicContact CD2-CG 4.29Å; F820-F825 HydrophobicContact CE1-CB 4.32Å; F820-F825 WeakPolarHBondContact CE1-O 3.24Å; F820-F825 HydrophobicContact CE2-CB 3.38Å; F820-F825 HydrophobicContact CE2-CG 4.42Å; F820-F825 HydrophobicContact CG-CB 4.13Å; F820-F825 HydrophobicContact CZ-CB 3.79Å; F820-F825 VanDerWaalsContact CZ-O 3.25Å; F820-F825 WeakPolarHBondContact CZ-O 3.5Å; F820-F825 PolarHBondContact O-N 3.35Å; F820-F825 VanDerWaalsContact O-N 3.07Å; A823-F825 VanDerWaalsContact C-N 3.27Å; A823-F825 HydrophobicContact CB-CD1 4.25Å; A823-F825 HydrophobicContact CB-CD2 3.81Å; A823-F825 HydrophobicContact CB-CE1 3.99Å; A823-F825 HydrophobicContact CB-CE2 3.52Å; A823-F825 HydrophobicContact CB-CG 4.17Å; A823-F825 HydrophobicContact CB-CZ 3.62Å; A823-F825 PolarHBondContact O-N 3.27Å; F825-Y845 PolarHBondContact N-OH 3.25Å; F825-Y845 VanDerWaalsContact O-CE2 3.32Å; F825-Y845 WeakPolarHBondContact O-CE2 3.39Å; F825-Y845 PolarHBondContact O-OH 3.26Å
826	Q	87.1	Confident	84.3	Confident	90 Å²	90	72.6 Å²	72.6	42%	0.421	36%	0.359	S	S	.	.	P	Polyproline II helix	trans	-97.7	149.6	177.9	-72	-87.6	-32.4	0	0	111	M843	Q826-M843 PolarHBondContact NE2-O 3.37Å
827	L	86.9	Confident	84.1	Confident	18 Å²	18	74.8 Å²	74.8	9%	0.094	37%	0.369	C	S	.	.	P	Polyproline II helix	trans	-71.8	150.9	169.8	-69.5	173.3	0	0	0	110.3	P772 T796 W799 P808 L809 F820 T829 M843	P772-L827 HydrophobicContact CB-CD1 4.3Å; P772-L827 HydrophobicContact CG-CD1 4Å; T796-L827 HydrophobicContact CG2-CD1 4.25Å; W799-L827 HydrophobicContact CG-CD1 4.27Å; P808-L827 HydrophobicContact CB-CD1 4.2Å; P808-L827 HydrophobicContact CB-CD2 4.09Å; L809-L827 HydrophobicContact CD1-CD2 4.35Å; L809-L827 HydrophobicContact CD2-CD2 4.04Å; L809-L827 HydrophobicContact CG-CD2 3.96Å; F820-L827 HydrophobicContact CZ-CD2 4.11Å; F820-L827 HydrophobicContact CZ-CG 4.43Å; L827-T829 PolarHBondContact O-N 3.18Å; L827-M843 HydrophobicContact CD1-SD 3.94Å
828	A	82.3	Confident	84	Confident	69 Å²	69	74 Å²	74	57%	0.57	37%	0.366	S	S	*	.	P	Polyproline II helix	trans	-64.2	120.4	176.7	0	0	0	0	0	110.6	W799 Y803	W799-A828 PolarHBondContact NE1-O 3.34Å; Y803-A828 WeakPolarHBondContact CE2-O 3.2Å; Y803-A828 PolarHBondContact OH-O 3.13Å
829	T	78.2	Confident	84	Confident	60 Å²	60	71.9 Å²	71.9	37%	0.368	36%	0.355	S	S	.	.	P	Polyproline II helix	trans	-84	153	-176.8	47.9	0	0	0	0	112.4	Y803 L827 A836	Y803-T829 VanDerWaalsContact OH-C 3.3Å; Y803-T829 PolarHBondContact OH-O 3.23Å; Y803-T829 VanDerWaalsContact OH-O 3.09Å; L827-T829 PolarHBondContact O-N 3.18Å; T829-A836 HydrophobicContact CG2-CB 4.07Å
830	P	77.7	Confident	84	Confident	24 Å²	24	66.5 Å²	66.5	16%	0.156	34%	0.342	C	S	.	.	P	Polyproline II helix	trans	-69.5	162.1	178	30	-35.7	0	0	0	112.1	C802 Y832 M839	C802-P830 HydrophobicContact CB-CB 4.41Å; C802-P830 HydrophobicContact CB-CG 4.45Å; P830-Y832 PolarHBondContact O-N 3.36Å; P830-Y832 VanDerWaalsContact O-N 3.11Å; P830-M839 HydrophobicContact CG-SD 3.87Å
831	D	70.1	Confident	84	Confident	170 Å²	170	69.9 Å²	69.9	91%	0.909	35%	0.354	S	S	*	.	S	Bend	trans	-61.3	-22.4	-178.4	-67.1	-32.7	0	0	0	113.9	K833	D831-K833 PolarHBondContact O-N 3.49Å; D831-K833 VanDerWaalsContact O-N 3.11Å
832	Y	76.7	Confident	84	Confident	75 Å²	75	69.4 Å²	69.4	29%	0.294	35%	0.351	S	S	.	.			trans	-78.1	96.8	178	-174.4	-126.5	0	0	0	111.1	P830 E834 L835 A836	P830-Y832 PolarHBondContact O-N 3.36Å; P830-Y832 VanDerWaalsContact O-N 3.11Å; Y832-E834 VanDerWaalsContact C-N 3.34Å; Y832-E834 HydrophobicContact CE1-CB 4.38Å; Y832-E834 WeakPolarHBondContact CE2-OE2 3.45Å; Y832-E834 PolarHBondContact O-N 3.33Å; Y832-E834 PolarHBondContact OH-OE2 3.14Å; Y832-L835 HydrophobicContact CD1-CB 3.34Å; Y832-L835 HydrophobicContact CD1-CD2 4.26Å; Y832-L835 HydrophobicContact CD1-CG 4.42Å; Y832-L835 HydrophobicContact CE1-CB 3.83Å; Y832-L835 HydrophobicContact CG-CB 4.34Å; Y832-L835 PolarHBondContact O-N 2.9Å; Y832-A836 PolarHBondContact O-N 2.86Å
833	K	74.3	Confident	84.3	Confident	160 Å²	160	63.1 Å²	63.1	70%	0.696	32%	0.322	S	S	*	.	H	α-helix	trans	-50.1	-44.7	-171.2	-68.9	-173.5	177.8	-177.4	0	114.8	D831 A836 E837	D831-K833 PolarHBondContact O-N 3.49Å; D831-K833 VanDerWaalsContact O-N 3.11Å; K833-A836 WeakPolarHBondContact O-CB 3.36Å; K833-A836 PolarHBondContact O-N 3.23Å; K833-E837 WeakPolarHBondContact O-CG 3.26Å; K833-E837 PolarHBondContact O-N 3.39Å
834	E	74.7	Confident	84.4	Confident	68 Å²	68	63.1 Å²	63.1	32%	0.318	32%	0.315	S	S	.	.	H	α-helix	trans	-71.9	-35.9	-172.4	-59.2	167.8	135.6	0	0	111.8	Y832 L838 L863	Y832-E834 VanDerWaalsContact C-N 3.34Å; Y832-E834 HydrophobicContact CE1-CB 4.38Å; Y832-E834 WeakPolarHBondContact CE2-OE2 3.45Å; Y832-E834 PolarHBondContact O-N 3.33Å; Y832-E834 PolarHBondContact OH-OE2 3.14Å; E834-L838 PolarHBondContact O-N 2.95Å; E834-L838 VanDerWaalsContact O-N 3.16Å; E834-L863 HydrophobicContact CB-CD1 4.43Å; E834-L863 HydrophobicContact CB-CD2 3.35Å; E834-L863 HydrophobicContact CG-CD2 4Å; E834-L863 WeakPolarHBondContact OE2-CD2 3.3Å
835	L	80.4	Confident	84.4	Confident	15 Å²	15	59.1 Å²	59.1	8%	0.079	30%	0.296	C	S	.	.	H	α-helix	trans	-73.1	-37.5	172.5	-170.5	67.4	0	0	0	111.5	L798 C802 Y832 E837 L838 M839 L860	L798-L835 HydrophobicContact CD1-CD1 4.33Å; L798-L835 HydrophobicContact CD2-CD1 3.67Å; L798-L835 HydrophobicContact CD2-CG 4.27Å; L798-L835 HydrophobicContact CG-CD1 4.31Å; C802-L835 VanDerWaalsContact SG-CD2 3.54Å; Y832-L835 HydrophobicContact CD1-CB 3.34Å; Y832-L835 HydrophobicContact CD1-CD2 4.26Å; Y832-L835 HydrophobicContact CD1-CG 4.42Å; Y832-L835 HydrophobicContact CE1-CB 3.83Å; Y832-L835 HydrophobicContact CG-CB 4.34Å; Y832-L835 PolarHBondContact O-N 2.9Å; L835-E837 VanDerWaalsContact C-N 3.32Å; L835-E837 PolarHBondContact O-N 3.26Å; L835-L838 HydrophobicContact CD1-CD2 4.39Å; L835-L838 PolarHBondContact O-N 3.43Å; L835-M839 HydrophobicContact CG-SD 4.27Å; L835-M839 WeakPolarHBondContact O-CB 3.27Å; L835-M839 WeakPolarHBondContact O-CG 3.37Å; L835-M839 PolarHBondContact O-N 2.65Å; L835-L860 HydrophobicContact CD1-CD2 4.44Å
836	A	83.9	Confident	84.2	Confident	9 Å²	9	55.9 Å²	55.9	7%	0.074	28%	0.284	C	S	.	.	H	α-helix	trans	-57.6	-44.9	172	0	0	0	0	0	111.6	T829 Y832 K833 M839 T840	T829-A836 HydrophobicContact CG2-CB 4.07Å; Y832-A836 PolarHBondContact O-N 2.86Å; K833-A836 WeakPolarHBondContact O-CB 3.36Å; K833-A836 PolarHBondContact O-N 3.23Å; A836-M839 WeakPolarHBondContact O-CB 3.48Å; A836-M839 PolarHBondContact O-N 3.42Å; A836-T840 PolarHBondContact O-N 2.69Å; A836-T840 PolarHBondContact O-OG1 3.41Å; A836-T840 VanDerWaalsContact O-OG1 3.07Å
837	E	86.3	Confident	84.1	Confident	122 Å²	122	53.5 Å²	53.5	57%	0.57	28%	0.276	S	S	*	.	H	α-helix	trans	-62.8	-41.8	176	-75.6	172.6	-165.9	0	0	112.4	K833 L835 T840 R841	K833-E837 WeakPolarHBondContact O-CG 3.26Å; K833-E837 PolarHBondContact O-N 3.39Å; L835-E837 VanDerWaalsContact C-N 3.32Å; L835-E837 PolarHBondContact O-N 3.26Å; E837-T840 PolarHBondContact O-N 3.03Å; E837-R841 WeakPolarHBondContact O-CG 3.49Å; E837-R841 PolarHBondContact O-N 3.26Å
838	L	87.7	Confident	83.7	Confident	1 Å²	1	56.3 Å²	56.3	1%	0.005	29%	0.288	C	S	.	.	H	α-helix	trans	-60.9	-47	173.9	180	62.8	0	0	0	111.2	E834 L835 T840 R841 C842 I856 D859 L860	E834-L838 PolarHBondContact O-N 2.95Å; E834-L838 VanDerWaalsContact O-N 3.16Å; L835-L838 HydrophobicContact CD1-CD2 4.39Å; L835-L838 PolarHBondContact O-N 3.43Å; L838-T840 PolarHBondContact O-N 2.75Å; L838-R841 PolarHBondContact O-N 3.44Å; L838-C842 PolarHBondContact O-N 3.19Å; L838-C842 PolarHBondContact O-SG 3.18Å; L838-I856 HydrophobicContact CD1-CG1 4.25Å; L838-I856 HydrophobicContact CD1-CG2 4.36Å; L838-I856 HydrophobicContact CD2-CG2 4.4Å; L838-D859 HydrophobicContact CD1-CB 4.41Å; L838-L860 HydrophobicContact CD2-CD2 3.69Å; L838-L860 HydrophobicContact CD2-CG 3.97Å
839	M	89.8	Confident	83.6	Confident	0 Å²	0	59.7 Å²	59.7	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-59.5	-46.1	177.6	-73.1	171	63.9	0	0	112	L798 W799 P830 L835 A836 R841 C842 M843	L798-M839 HydrophobicContact CB-CG 4.27Å; L798-M839 HydrophobicContact CD2-CG 3.49Å; L798-M839 VanDerWaalsContact CD2-CG 3.49Å; L798-M839 HydrophobicContact CD2-SD 4.27Å; L798-M839 HydrophobicContact CG-CG 3.9Å; L798-M839 HydrophobicContact CG-SD 4.12Å; W799-M839 HydrophobicContact CB-CE 3.4Å; W799-M839 HydrophobicContact CG-CE 3.87Å; P830-M839 HydrophobicContact CG-SD 3.87Å; L835-M839 HydrophobicContact CG-SD 4.27Å; L835-M839 WeakPolarHBondContact O-CB 3.27Å; L835-M839 WeakPolarHBondContact O-CG 3.37Å; L835-M839 PolarHBondContact O-N 2.65Å; A836-M839 WeakPolarHBondContact O-CB 3.48Å; A836-M839 PolarHBondContact O-N 3.42Å; M839-R841 PolarHBondContact O-N 3.41Å; M839-C842 PolarHBondContact O-N 3.15Å; M839-M843 HydrophobicContact CB-CE 3.9Å; M839-M843 HydrophobicContact CE-CE 4.27Å; M839-M843 WeakPolarHBondContact O-CE 3.47Å; M839-M843 PolarHBondContact O-N 3.39Å
840	T	89.7	Confident	84.1	Confident	56 Å²	56	57 Å²	57	34%	0.344	27%	0.272	S	S	.	.	H	α-helix	trans	-63	-39.6	177.3	-62.3	0	0	0	0	112.1	A836 E837 L838 M843 N844	A836-T840 PolarHBondContact O-N 2.69Å; A836-T840 PolarHBondContact O-OG1 3.41Å; A836-T840 VanDerWaalsContact O-OG1 3.07Å; E837-T840 PolarHBondContact O-N 3.03Å; L838-T840 PolarHBondContact O-N 2.75Å; T840-M843 CarbonylContact O-C 3.57Å; T840-M843 PolarHBondContact O-N 2.81Å; T840-N844 PolarHBondContact O-N 3.2Å
841	R	90.2	Very high	84.4	Confident	101 Å²	101	56.6 Å²	56.6	38%	0.381	27%	0.27	S	S	.	.	H	α-helix	trans	-65.3	-39.5	174.4	-73.7	-174.1	-65.2	150.3	2.6	112.1	E837 L838 M839 P851 D859	E837-R841 WeakPolarHBondContact O-CG 3.49Å; E837-R841 PolarHBondContact O-N 3.26Å; L838-R841 PolarHBondContact O-N 3.44Å; M839-R841 PolarHBondContact O-N 3.41Å; R841-P851 HydrophobicContact CB-CG 4.19Å; R841-P851 VanDerWaalsContact O-CD 3.27Å; R841-P851 WeakPolarHBondContact O-CD 3.5Å; R841-D859 IonicContact CZ-OD2 3.64Å; R841-D859 VanDerWaalsContact CZ-OD2 3.29Å; R841-D859 IonicContact NH1-OD2 2.87Å; R841-D859 PolarHBondContact NH1-OD2 3.4Å; R841-D859 IonicContact NH2-OD2 3.57Å; R841-D859 PolarHBondContact NH2-OD2 3.15Å
842	C	92.6	Very high	84.9	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-66.2	-41.4	175.4	-70.9	0	0	0	0	112.4	K791 L838 M839 N844 R850	K791-C842 WeakPolarHBondContact O-CB 3.19Å; L838-C842 PolarHBondContact O-N 3.19Å; L838-C842 PolarHBondContact O-SG 3.18Å; M839-C842 PolarHBondContact O-N 3.15Å; C842-N844 VanDerWaalsContact C-N 3.26Å; C842-N844 PolarHBondContact O-N 2.94Å; C842-R850 VanDerWaalsContact O-CD 3.28Å; C842-R850 WeakPolarHBondContact O-CD 3.32Å; C842-R850 WeakPolarHBondContact O-CG 3.29Å
843	M	93.8	Very high	85.3	Confident	4 Å²	4	48.1 Å²	48.1	2%	0.02	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91	41.2	178.4	-62	-179.9	-69	0	0	112.4	W792 T796 Q826 L827 M839 T840	W792-M843 HydrophobicContact CD2-CB 4.47Å; W792-M843 HydrophobicContact CE3-CB 4.14Å; W792-M843 HydrophobicContact CH2-CB 4.35Å; W792-M843 HydrophobicContact CZ3-CB 4.09Å; W792-M843 WeakPolarHBondContact CZ3-O 3.5Å; T796-M843 HydrophobicContact CG2-CG 4.08Å; T796-M843 HydrophobicContact CG2-SD 3.53Å; T796-M843 VanDerWaalsContact CG2-SD 3.53Å; Q826-M843 PolarHBondContact NE2-O 3.37Å; L827-M843 HydrophobicContact CD1-SD 3.94Å; M839-M843 HydrophobicContact CB-CE 3.9Å; M839-M843 HydrophobicContact CE-CE 4.27Å; M839-M843 WeakPolarHBondContact O-CE 3.47Å; M839-M843 PolarHBondContact O-N 3.39Å; T840-M843 CarbonylContact O-C 3.57Å; T840-M843 PolarHBondContact O-N 2.81Å
844	N	91.6	Very high	85.4	Confident	50 Å²	50	41.6 Å²	41.6	27%	0.267	20%	0.198	S	C	.	.			trans	-77.7	129.6	171.9	-160.9	-49.4	0	0	0	109.8	T840 C842 D846 K849 R850	T840-N844 PolarHBondContact O-N 3.2Å; C842-N844 VanDerWaalsContact C-N 3.26Å; C842-N844 PolarHBondContact O-N 2.94Å; N844-D846 PolarHBondContact O-N 2.8Å; N844-D846 PolarHBondContact OD1-N 3.24Å; N844-K849 HydrophobicContact CB-CB 4.34Å; N844-R850 HydrophobicContact CB-CG 4.07Å; N844-R850 PolarHBondContact O-NE 2.88Å; N844-R850 PolarHBondContact O-NH2 3.18Å
845	Y	89.5	Confident	85.6	Confident	26 Å²	26	38.8 Å²	38.8	10%	0.102	19%	0.187	C	C	.	.	S	Bend	trans	-62.2	-26	178.9	-82.2	-89.6	0	0	0	112.4	P776 W792 F820 Y821 E824 F825 P847	P776-Y845 HydrophobicContact CB-CD1 3.86Å; P776-Y845 HydrophobicContact CB-CE1 4.06Å; P776-Y845 HydrophobicContact CG-CD1 3.47Å; P776-Y845 VanDerWaalsContact CG-CD1 3.47Å; P776-Y845 HydrophobicContact CG-CE1 3.53Å; P776-Y845 HydrophobicContact CG-CG 4.43Å; W792-Y845 HydrophobicContact CH2-CD1 4.23Å; W792-Y845 HydrophobicContact CH2-CD2 4.22Å; W792-Y845 AromaticContact CH2-CE1 3.95Å; W792-Y845 HydrophobicContact CH2-CE1 3.95Å; W792-Y845 AromaticContact CH2-CE2 3.96Å; W792-Y845 HydrophobicContact CH2-CE2 3.96Å; W792-Y845 HydrophobicContact CH2-CG 4.34Å; W792-Y845 AromaticContact CH2-CZ 3.81Å; W792-Y845 HydrophobicContact CZ3-CD1 4.45Å; W792-Y845 HydrophobicContact CZ3-CD2 4.33Å; W792-Y845 HydrophobicContact CZ3-CG 4.3Å; F820-Y845 PolarHBondContact O-OH 3.4Å; Y821-Y845 AromaticContact CD1-CE1 3.99Å; Y821-Y845 HydrophobicContact CD1-CE1 3.99Å; Y821-Y845 HydrophobicContact CG-CE1 4.29Å; E824-Y845 VanDerWaalsContact C-CE2 3.43Å; E824-Y845 VanDerWaalsContact CA-CZ 3.5Å; E824-Y845 HydrophobicContact CB-CD1 4.28Å; E824-Y845 HydrophobicContact CB-CD2 3.95Å; E824-Y845 HydrophobicContact CB-CE1 4.35Å; E824-Y845 HydrophobicContact CB-CE2 4.01Å; E824-Y845 HydrophobicContact CB-CG 4.1Å; E824-Y845 HydrophobicContact CG-CD1 3.99Å; E824-Y845 HydrophobicContact CG-CD2 4.43Å; E824-Y845 HydrophobicContact CG-CE1 4.32Å; E824-Y845 HydrophobicContact CG-CG 4.06Å; E824-Y845 WeakPolarHBondContact O-CE2 3.37Å; F825-Y845 PolarHBondContact N-OH 3.25Å; F825-Y845 VanDerWaalsContact O-CE2 3.32Å; F825-Y845 WeakPolarHBondContact O-CE2 3.39Å; F825-Y845 PolarHBondContact O-OH 3.26Å; Y845-P847 WeakPolarHBondContact O-CD 3.16Å
846	D	84.4	Confident	85.8	Confident	56 Å²	56	38.1 Å²	38.1	30%	0.299	18%	0.183	S	C	.	.	S	Bend	trans	-84.3	112.1	168.9	-175.8	-13.1	0	0	0	110.3	N844 K848 K849	N844-D846 PolarHBondContact O-N 2.8Å; N844-D846 PolarHBondContact OD1-N 3.24Å; D846-K848 PolarHBondContact O-N 2.83Å; D846-K848 WeakPolarHBondContact OD1-CB 3.13Å; D846-K848 PolarHBondContact OD1-N 2.9Å; D846-K849 HydrophobicContact CB-CB 4.26Å; D846-K849 HydrophobicContact CB-CD 3.88Å; D846-K849 HydrophobicContact CB-CG 4.02Å; D846-K849 PolarHBondContact O-N 3.32Å; D846-K849 VanDerWaalsContact O-N 3.15Å; D846-K849 WeakPolarHBondContact OD2-CE 3.44Å; D846-K849 IonicContact OD2-NZ 3.6Å
847	P	86.3	Confident	85.6	Confident	39 Å²	39	38.9 Å²	38.9	25%	0.253	19%	0.186	S	C	.	.	G	3₁₀ helix	trans	-61	-26.8	-178.9	24.3	-33.3	0	0	0	113.4	E777 A788 Y845 K849 R850	E777-P847 HydrophobicContact CG-CG 4.44Å; A788-P847 HydrophobicContact CB-CB 3.63Å; Y845-P847 WeakPolarHBondContact O-CD 3.16Å; P847-K849 VanDerWaalsContact C-N 3.31Å; P847-K849 PolarHBondContact O-N 2.88Å; P847-R850 PolarHBondContact O-N 3.05Å
848	K	78	Confident	85.4	Confident	78 Å²	78	34.2 Å²	34.2	34%	0.339	16%	0.164	S	C	.	.	G	3₁₀ helix	trans	-77.1	-18	-178.6	-63.1	-177.7	175.1	-173.8	0	112.9	E467 P552 D846	E467-K848 IonicContact OE1-NZ 3.74Å; E467-K848 IonicContact OE2-NZ 2.71Å; E467-K848 PolarHBondContact OE2-NZ 3.23Å; P552-K848 HydrophobicContact CG-CB 4.04Å; D846-K848 PolarHBondContact O-N 2.83Å; D846-K848 WeakPolarHBondContact OD1-CB 3.13Å; D846-K848 PolarHBondContact OD1-N 2.9Å
849	K	80.8	Confident	85.1	Confident	139 Å²	139	35.4 Å²	35.4	60%	0.604	17%	0.17	S	C	*	.	G	3₁₀ helix	trans	-88.7	-7.2	177.4	-68	-179.9	-174.6	161.5	0	113.5	N844 D846 P847	N844-K849 HydrophobicContact CB-CB 4.34Å; D846-K849 HydrophobicContact CB-CB 4.26Å; D846-K849 HydrophobicContact CB-CD 3.88Å; D846-K849 HydrophobicContact CB-CG 4.02Å; D846-K849 PolarHBondContact O-N 3.32Å; D846-K849 VanDerWaalsContact O-N 3.15Å; D846-K849 WeakPolarHBondContact OD2-CE 3.44Å; D846-K849 IonicContact OD2-NZ 3.6Å; P847-K849 VanDerWaalsContact C-N 3.31Å; P847-K849 PolarHBondContact O-N 2.88Å
850	R	88.2	Confident	84.7	Confident	3 Å²	3	35.4 Å²	35.4	1%	0.011	17%	0.17	C	C	.	.	S	Bend	trans	-74	136.8	-177.9	-60.8	178.8	-167.9	147.8	10.9	110.8	E777 A788 K791 C842 N844 P847	E777-R850 IonicContact OE1-CZ 3.48Å; E777-R850 IonicContact OE1-NH1 2.71Å; E777-R850 PolarHBondContact OE1-NH1 3.08Å; E777-R850 IonicContact OE1-NH2 3.3Å; E777-R850 PolarHBondContact OE1-NH2 3.1Å; E777-R850 IonicContact OE2-CZ 3.69Å; E777-R850 IonicContact OE2-NH1 3.59Å; E777-R850 IonicContact OE2-NH2 3.84Å; E777-R850 PolarHBondContact OE2-NH2 2.85Å; A788-R850 VanDerWaalsContact C-NH1 3.32Å; A788-R850 WeakPolarHBondContact O-CD 3.46Å; A788-R850 PolarHBondContact O-NH1 3.35Å; K791-R850 HydrophobicContact CB-CB 4.09Å; K791-R850 HydrophobicContact CD-CB 3.94Å; C842-R850 VanDerWaalsContact O-CD 3.28Å; C842-R850 WeakPolarHBondContact O-CD 3.32Å; C842-R850 WeakPolarHBondContact O-CG 3.29Å; N844-R850 HydrophobicContact CB-CG 4.07Å; N844-R850 PolarHBondContact O-NE 2.88Å; N844-R850 PolarHBondContact O-NH2 3.18Å; P847-R850 PolarHBondContact O-N 3.05Å
851	P	83.8	Confident	84.1	Confident	16 Å²	16	33.7 Å²	33.7	10%	0.104	16%	0.159	C	C	.	.	P	Polyproline II helix	trans	-68.7	146.1	-177.8	28.6	-34.3	0	0	0	111.8	K791 R841 A855 I856	K791-P851 WeakPolarHBondContact CD-O 3.43Å; K791-P851 VanDerWaalsContact CE-O 3.26Å; K791-P851 WeakPolarHBondContact CE-O 3.26Å; R841-P851 HydrophobicContact CB-CG 4.19Å; R841-P851 VanDerWaalsContact O-CD 3.27Å; R841-P851 WeakPolarHBondContact O-CD 3.5Å; P851-A855 HydrophobicContact CB-CB 4.43Å; P851-I856 HydrophobicContact CB-CG1 4.16Å; P851-I856 HydrophobicContact CG-CD1 4.13Å; P851-I856 HydrophobicContact CG-CG1 3.85Å
852	F	80.7	Confident	83.3	Confident	67 Å²	67	31.5 Å²	31.5	29%	0.294	16%	0.156	S	C	.	.	P	Polyproline II helix	trans	-66.3	151.7	173.9	-54.9	-79.2	0	0	0	111.3	P555 K791 R854 A855 I856	P555-F852 HydrophobicContact CB-CD2 4.49Å; P555-F852 HydrophobicContact CB-CE2 4.47Å; P555-F852 HydrophobicContact CG-CD1 3.57Å; P555-F852 HydrophobicContact CG-CD2 3.36Å; P555-F852 HydrophobicContact CG-CE1 3.29Å; P555-F852 HydrophobicContact CG-CE2 3.07Å; P555-F852 HydrophobicContact CG-CG 3.63Å; P555-F852 HydrophobicContact CG-CZ 3.06Å; K791-F852 VanDerWaalsContact NZ-CD1 3.34Å; F852-R854 PolarHBondContact O-N 2.92Å; F852-A855 WeakPolarHBondContact O-CA 3.47Å; F852-A855 WeakPolarHBondContact O-CB 3.27Å; F852-A855 PolarHBondContact O-N 2.88Å; F852-I856 WeakPolarHBondContact O-CG1 3.49Å; F852-I856 PolarHBondContact O-N 3.34Å
853	F	85.6	Confident	82.4	Confident	1 Å²	1	32.1 Å²	32.1	0%	0.004	16%	0.16	C	C	.	.	H	α-helix	trans	-63	-30.3	-175.7	-83.2	-69.5	0	0	0	112.5	L716 E720 D790 K791 F794 A855 I856 V857	L716-F853 HydrophobicContact CB-CD1 3.72Å; L716-F853 HydrophobicContact CB-CD2 3.93Å; L716-F853 HydrophobicContact CB-CE1 3.48Å; L716-F853 VanDerWaalsContact CB-CE1 3.48Å; L716-F853 HydrophobicContact CB-CE2 3.68Å; L716-F853 HydrophobicContact CB-CG 3.95Å; L716-F853 HydrophobicContact CB-CZ 3.46Å; L716-F853 VanDerWaalsContact CB-CZ 3.46Å; L716-F853 HydrophobicContact CD1-CD1 4.45Å; L716-F853 HydrophobicContact CD1-CE1 3.49Å; L716-F853 VanDerWaalsContact CD1-CE1 3.49Å; L716-F853 HydrophobicContact CD1-CE2 4.47Å; L716-F853 HydrophobicContact CD1-CZ 3.51Å; L716-F853 HydrophobicContact CG-CE1 4.12Å; L716-F853 HydrophobicContact CG-CZ 4.02Å; E720-F853 HydrophobicContact CB-CD2 4.22Å; E720-F853 WeakPolarHBondContact OE2-CB 3.33Å; E720-F853 PolarHBondContact OE2-N 3.16Å; D790-F853 HydrophobicContact CB-CE2 4.02Å; D790-F853 HydrophobicContact CB-CZ 4.13Å; K791-F853 HydrophobicContact CB-CZ 4.47Å; K791-F853 HydrophobicContact CG-CD2 4.19Å; K791-F853 HydrophobicContact CG-CE2 3.69Å; K791-F853 HydrophobicContact CG-CZ 3.88Å; F794-F853 HydrophobicContact CB-CE1 3.88Å; F794-F853 HydrophobicContact CB-CZ 4.12Å; F794-F853 HydrophobicContact CD1-CE1 4.4Å; F794-F853 HydrophobicContact CD2-CE1 4.15Å; F794-F853 AromaticContact CG-CE1 3.88Å; F794-F853 HydrophobicContact CG-CE1 3.88Å; F853-A855 VanDerWaalsContact C-N 3.34Å; F853-A855 PolarHBondContact O-N 3.02Å; F853-I856 HydrophobicContact CD1-CD1 3.74Å; F853-I856 HydrophobicContact CE1-CD1 3.96Å; F853-I856 HydrophobicContact CG-CD1 4.39Å; F853-I856 CarbonylContact O-C 3.56Å; F853-I856 WeakPolarHBondContact O-CB 3.32Å; F853-I856 PolarHBondContact O-N 3.36Å; F853-V857 VanDerWaalsContact O-CG2 3.29Å; F853-V857 WeakPolarHBondContact O-CG2 3.35Å; F853-V857 PolarHBondContact O-N 3.02Å
854	R	75.5	Confident	81.3	Confident	22 Å²	22	33.4 Å²	33.4	8%	0.083	17%	0.166	C	C	.	.	H	α-helix	trans	-63.2	-38	171.7	-71	170	129.7	-120.6	3.2	113.1	I383 Q398 R556 F852 R858	I383-R854 PolarHBondContact O-NH1 3.22Å; I383-R854 PolarHBondContact O-NH2 3.47Å; Q398-R854 VanDerWaalsContact CD-NH2 3.33Å; Q398-R854 VanDerWaalsContact CG-NH2 3.26Å; R556-R854 VanDerWaalsContact CZ-CZ 3.46Å; R556-R854 VanDerWaalsContact CZ-NH1 3.35Å; R556-R854 VanDerWaalsContact NH2-CZ 3.33Å; F852-R854 PolarHBondContact O-N 2.92Å; R854-R858 WeakPolarHBondContact O-CB 3.37Å; R854-R858 PolarHBondContact O-N 3.35Å
855	A	78.4	Confident	79.9	Confident	10 Å²	10	36.3 Å²	36.3	8%	0.083	18%	0.178	C	C	.	.	H	α-helix	trans	-68.8	-38.7	173.6	0	0	0	0	0	110.7	P851 F852 F853 R858 D859	P851-A855 HydrophobicContact CB-CB 4.43Å; F852-A855 WeakPolarHBondContact O-CA 3.47Å; F852-A855 WeakPolarHBondContact O-CB 3.27Å; F852-A855 PolarHBondContact O-N 2.88Å; F853-A855 VanDerWaalsContact C-N 3.34Å; F853-A855 PolarHBondContact O-N 3.02Å; A855-R858 PolarHBondContact O-N 3.19Å; A855-D859 VanDerWaalsContact O-CB 3.24Å; A855-D859 WeakPolarHBondContact O-CB 3.42Å; A855-D859 PolarHBondContact O-N 3.34Å
856	I	84.4	Confident	78.7	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-61.2	-48.8	173.9	-63.1	171.1	0	0	0	110.7	A713 F794 L838 P851 F852 F853 D859 L860	A713-I856 HydrophobicContact CB-CG2 4.14Å; F794-I856 HydrophobicContact CD1-CD1 4.32Å; F794-I856 HydrophobicContact CD1-CG2 4.28Å; F794-I856 HydrophobicContact CE1-CG2 3.53Å; F794-I856 HydrophobicContact CZ-CG2 3.85Å; L838-I856 HydrophobicContact CD1-CG1 4.25Å; L838-I856 HydrophobicContact CD1-CG2 4.36Å; L838-I856 HydrophobicContact CD2-CG2 4.4Å; P851-I856 HydrophobicContact CB-CG1 4.16Å; P851-I856 HydrophobicContact CG-CD1 4.13Å; P851-I856 HydrophobicContact CG-CG1 3.85Å; F852-I856 WeakPolarHBondContact O-CG1 3.49Å; F852-I856 PolarHBondContact O-N 3.34Å; F853-I856 HydrophobicContact CD1-CD1 3.74Å; F853-I856 HydrophobicContact CE1-CD1 3.96Å; F853-I856 HydrophobicContact CG-CD1 4.39Å; F853-I856 CarbonylContact O-C 3.56Å; F853-I856 WeakPolarHBondContact O-CB 3.32Å; F853-I856 PolarHBondContact O-N 3.36Å; I856-D859 PolarHBondContact O-N 2.75Å; I856-L860 HydrophobicContact CG2-CD1 4.04Å; I856-L860 HydrophobicContact CG2-CG 4.49Å; I856-L860 WeakPolarHBondContact O-CB 3.39Å; I856-L860 VanDerWaalsContact O-CG 3.28Å; I856-L860 WeakPolarHBondContact O-CG 3.37Å; I856-L860 PolarHBondContact O-N 3.31Å
857	V	81.3	Confident	77.4	Confident	25 Å²	25	40.5 Å²	40.5	15%	0.152	20%	0.198	C	C	.	.	H	α-helix	trans	-59.7	-47.8	177.6	171.5	0	0	0	0	110.6	A713 F853 D859 L860 D861	A713-V857 HydrophobicContact CB-CG2 3.73Å; F853-V857 VanDerWaalsContact O-CG2 3.29Å; F853-V857 WeakPolarHBondContact O-CG2 3.35Å; F853-V857 PolarHBondContact O-N 3.02Å; V857-D859 PolarHBondContact O-N 2.86Å; V857-L860 WeakPolarHBondContact O-CB 3.37Å; V857-L860 PolarHBondContact O-N 2.94Å; V857-D861 PolarHBondContact O-N 2.97Å
858	R	80.5	Confident	75.5	Confident	25 Å²	25	44.1 Å²	44.1	9%	0.094	22%	0.222	C	C	.	.	H	α-helix	trans	-59	-48.2	175.8	179.8	-161.4	68.8	-174.1	1.1	111.9	H385 Y433 R854 A855 L860 D861 V862	H385-R858 HydrophobicContact CB-CB 4.12Å; H385-R858 HydrophobicContact CB-CG 3.92Å; Y433-R858 PolarHBondContact O-NH1 2.82Å; R854-R858 WeakPolarHBondContact O-CB 3.37Å; R854-R858 PolarHBondContact O-N 3.35Å; A855-R858 PolarHBondContact O-N 3.19Å; R858-L860 PolarHBondContact O-N 3.29Å; R858-D861 PolarHBondContact O-N 3.11Å; R858-V862 WeakPolarHBondContact O-CG2 3.46Å; R858-V862 PolarHBondContact O-N 2.88Å
859	D	82.4	Confident	74	Confident	25 Å²	25	49.4 Å²	49.4	13%	0.134	25%	0.245	C	C	.	.	H	α-helix	trans	-63.4	-35.6	-179.2	-70	1.7	0	0	0	109.9	L838 R841 A855 I856 V857 L863	L838-D859 HydrophobicContact CD1-CB 4.41Å; R841-D859 IonicContact CZ-OD2 3.64Å; R841-D859 VanDerWaalsContact CZ-OD2 3.29Å; R841-D859 IonicContact NH1-OD2 2.87Å; R841-D859 PolarHBondContact NH1-OD2 3.4Å; R841-D859 IonicContact NH2-OD2 3.57Å; R841-D859 PolarHBondContact NH2-OD2 3.15Å; A855-D859 VanDerWaalsContact O-CB 3.24Å; A855-D859 WeakPolarHBondContact O-CB 3.42Å; A855-D859 PolarHBondContact O-N 3.34Å; I856-D859 PolarHBondContact O-N 2.75Å; V857-D859 PolarHBondContact O-N 2.86Å; D859-L863 WeakPolarHBondContact O-CG 3.28Å; D859-L863 PolarHBondContact O-N 2.89Å
860	L	82.3	Confident	72.5	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-65.3	-49.8	171.3	-70.3	168.6	0	0	0	111.8	F706 A713 F794 L835 L838 I856 V857 R858 V862 L863 E864	F706-L860 HydrophobicContact CD2-CD2 4.43Å; F706-L860 HydrophobicContact CE1-CB 4.06Å; F706-L860 HydrophobicContact CE1-CD2 4.34Å; F706-L860 VanDerWaalsContact CE1-O 3.25Å; F706-L860 WeakPolarHBondContact CE1-O 3.43Å; F706-L860 HydrophobicContact CE2-CD2 3.56Å; F706-L860 HydrophobicContact CZ-CB 3.69Å; F706-L860 HydrophobicContact CZ-CD2 3.49Å; F706-L860 VanDerWaalsContact CZ-CD2 3.49Å; F706-L860 HydrophobicContact CZ-CG 4.2Å; F706-L860 WeakPolarHBondContact CZ-O 3.45Å; A713-L860 HydrophobicContact CB-CD1 3.85Å; F794-L860 HydrophobicContact CZ-CD1 4.3Å; L835-L860 HydrophobicContact CD1-CD2 4.44Å; L838-L860 HydrophobicContact CD2-CD2 3.69Å; L838-L860 HydrophobicContact CD2-CG 3.97Å; I856-L860 HydrophobicContact CG2-CD1 4.04Å; I856-L860 HydrophobicContact CG2-CG 4.49Å; I856-L860 WeakPolarHBondContact O-CB 3.39Å; I856-L860 VanDerWaalsContact O-CG 3.28Å; I856-L860 WeakPolarHBondContact O-CG 3.37Å; I856-L860 PolarHBondContact O-N 3.31Å; V857-L860 WeakPolarHBondContact O-CB 3.37Å; V857-L860 PolarHBondContact O-N 2.94Å; R858-L860 PolarHBondContact O-N 3.29Å; L860-V862 PolarHBondContact O-N 3.23Å; L860-L863 PolarHBondContact O-N 2.95Å; L860-E864 PolarHBondContact O-N 2.99Å; L860-E864 VanDerWaalsContact O-N 3.08Å
861	D	75.4	Confident	70	Confident	21 Å²	21	53 Å²	53	11%	0.112	26%	0.262	C	S	.	.	H	α-helix	trans	-56.8	-38.4	179.6	-70.2	-35.2	0	0	0	112.2	H385 K710 V857 R858 L863 E864 E865	H385-D861 IonicContact CE1-OD2 2.62Å; H385-D861 PolarHBondContact CE1-OD2 2.81Å; H385-D861 IonicContact NE2-OD2 2.84Å; H385-D861 PolarHBondContact NE2-OD2 3.38Å; K710-D861 WeakPolarHBondContact CE-OD1 3.25Å; K710-D861 IonicContact NZ-OD1 2.71Å; K710-D861 PolarHBondContact NZ-OD1 3.28Å; V857-D861 PolarHBondContact O-N 2.97Å; R858-D861 PolarHBondContact O-N 3.11Å; D861-L863 PolarHBondContact O-N 3.32Å; D861-E864 WeakPolarHBondContact O-CB 3.44Å; D861-E864 PolarHBondContact O-N 2.96Å; D861-E865 PolarHBondContact O-N 3.46Å
862	V	74.9	Confident	67.8	Low	54 Å²	54	57.6 Å²	57.6	33%	0.327	29%	0.292	S	S	.	.	H	α-helix	trans	-65.8	-35.5	175.5	172.1	0	0	0	0	112.8	R858 L860 K866	R858-V862 WeakPolarHBondContact O-CG2 3.46Å; R858-V862 PolarHBondContact O-N 2.88Å; L860-V862 PolarHBondContact O-N 3.23Å; V862-K866 HydrophobicContact CG1-CD 4.39Å; V862-K866 WeakPolarHBondContact O-CG 3.42Å; V862-K866 PolarHBondContact O-N 2.9Å
863	L	73.7	Confident	65.4	Low	14 Å²	14	59.3 Å²	59.3	7%	0.073	31%	0.311	C	S	.	.	H	α-helix	trans	-72.4	-33.2	178.5	-67.1	171.1	0	0	0	112.4	F706 E834 D859 L860 D861 E865 S867	F706-L863 HydrophobicContact CE2-CB 3.93Å; F706-L863 HydrophobicContact CE2-CD1 4.35Å; F706-L863 HydrophobicContact CZ-CB 3.78Å; E834-L863 HydrophobicContact CB-CD1 4.43Å; E834-L863 HydrophobicContact CB-CD2 3.35Å; E834-L863 HydrophobicContact CG-CD2 4Å; E834-L863 WeakPolarHBondContact OE2-CD2 3.3Å; D859-L863 WeakPolarHBondContact O-CG 3.28Å; D859-L863 PolarHBondContact O-N 2.89Å; L860-L863 PolarHBondContact O-N 2.95Å; D861-L863 PolarHBondContact O-N 3.32Å; L863-E865 VanDerWaalsContact C-N 3.33Å; L863-S867 PolarHBondContact O-OG 2.83Å
864	E	69.4	Low	62.6	Low	31 Å²	31	65.1 Å²	65.1	15%	0.145	35%	0.349	C	S	.	.	H	α-helix	trans	-60.2	-45.2	173.1	-168.7	169.6	-159.3	0	0	110.6	F706 Q707 K710 L860 D861 S867 I870	F706-E864 HydrophobicContact CD1-CB 4.25Å; F706-E864 HydrophobicContact CE1-CB 3.76Å; F706-E864 HydrophobicContact CE1-CG 4.46Å; Q707-E864 PolarHBondContact NE2-OE1 3.4Å; K710-E864 IonicContact NZ-OE2 3.27Å; K710-E864 PolarHBondContact NZ-OE2 3.3Å; L860-E864 PolarHBondContact O-N 2.99Å; L860-E864 VanDerWaalsContact O-N 3.08Å; D861-E864 WeakPolarHBondContact O-CB 3.44Å; D861-E864 PolarHBondContact O-N 2.96Å; E864-S867 PolarHBondContact O-N 2.98Å; E864-I870 HydrophobicContact CG-CD1 3.77Å; E864-I870 HydrophobicContact CG-CG2 4.1Å
865	E	63.1	Low	60.7	Low	110 Å²	110	67.8 Å²	67.8	51%	0.514	36%	0.364	S	S	.	.	H	α-helix	trans	-70.1	-33	-177.5	-69.3	-168.1	152.7	0	0	114.3	V387 D861 L863 S867	V387-E865 WeakPolarHBondContact CG1-OE1 3.48Å; V387-E865 VanDerWaalsContact CG1-OE2 3.32Å; V387-E865 WeakPolarHBondContact CG1-OE2 3.46Å; D861-E865 PolarHBondContact O-N 3.46Å; L863-E865 VanDerWaalsContact C-N 3.33Å; E865-S867 PolarHBondContact O-N 2.76Å
866	K	63	Low	58.7	Low	134 Å²	134	75.2 Å²	75.2	58%	0.583	40%	0.397	S	S	*	.	H	α-helix	trans	-74.5	-13.1	178.3	-73	179	178.7	-177.7	0	113.4	V862 P868	V862-K866 HydrophobicContact CG1-CD 4.39Å; V862-K866 WeakPolarHBondContact O-CG 3.42Å; V862-K866 PolarHBondContact O-N 2.9Å; K866-P868 WeakPolarHBondContact O-CD 3.44Å
867	S	57.5	Low	56.3	Low	36 Å²	36	81.6 Å²	81.6	25%	0.252	44%	0.439	S	S	.	.			trans	-89.1	113.2	-174.9	-67	0	0	0	0	111.5	L863 E864 E865 F869 I870	L863-S867 PolarHBondContact O-OG 2.83Å; E864-S867 PolarHBondContact O-N 2.98Å; E865-S867 PolarHBondContact O-N 2.76Å; S867-F869 PolarHBondContact O-N 2.81Å; S867-I870 PolarHBondContact O-N 3.13Å
868	P	46.4	Very low	54.6	Low	116 Å²	116	86.5 Å²	86.5	75%	0.753	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.8	-0.8	-173.1	24.2	-32.3	0	0	0	115.8	K866	K866-P868 WeakPolarHBondContact O-CD 3.44Å
869	F	46.7	Very low	53.2	Low	189 Å²	189	88.1 Å²	88.1	83%	0.829	48%	0.479	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.9	1.5	-177.3	-63.6	-80.3	0	0	0	114.2	S867	S867-F869 PolarHBondContact O-N 2.81Å
870	I	48.4	Very low	52.1	Low	33 Å²	33	90.7 Å²	90.7	17%	0.169	50%	0.497	C	S	.	.			trans	-113.8	79.4	-176.3	-54	178.8	0	0	0	108.5	R703 E864 S867	R703-I870 HydrophobicContact CG-CD1 4.34Å; R703-I870 HydrophobicContact CG-CG1 4.35Å; E864-I870 HydrophobicContact CG-CD1 3.77Å; E864-I870 HydrophobicContact CG-CG2 4.1Å; S867-I870 PolarHBondContact O-N 3.13Å
871	K	37.4	Very low	51.7	Low	183 Å²	183	92.6 Å²	92.6	80%	0.796	51%	0.509	S	S	*	.	P	Polyproline II helix	trans	-79.4	126.3	163.7	-80.1	-176.5	178.6	177.9	0	108.5
872	P	36.6	Very low	51.8	Low	114 Å²	114	95 Å²	95	74%	0.74	52%	0.524	S	S	*	.	P	Polyproline II helix	trans	-66.5	132.1	164.7	-12.9	27.2	0	0	0	108.7
873	C	29.8	Very low	52.2	Low	102 Å²	102	92.7 Å²	92.7	69%	0.689	51%	0.51	S	S	*	.	P	Polyproline II helix	trans	-66.3	146.3	167	-141	0	0	0	0	108.2	I875	C873-I875 WeakPolarHBondContact O-CD1 3.42Å
874	P	28.4	Very low	52.5	Low	124 Å²	124	95.3 Å²	95.3	81%	0.805	52%	0.522	S	S	*	.	P	Polyproline II helix	trans	-78.5	129.5	170.7	20.2	-12.5	0	0	0	109.2
875	I	34.9	Very low	53	Low	78 Å²	78	95.2 Å²	95.2	40%	0.4	52%	0.523	S	S	.	.			trans	-121.9	142.3	175.6	25.6	-42.5	0	0	0	113.7	L297 C873	L297-I875 HydrophobicContact CB-CB 4.07Å; L297-I875 HydrophobicContact CB-CD1 3.77Å; L297-I875 HydrophobicContact CB-CG1 3.03Å; L297-I875 HydrophobicContact CB-CG2 3.81Å; L297-I875 HydrophobicContact CD1-CD1 3.81Å; L297-I875 HydrophobicContact CD1-CG1 3.75Å; L297-I875 HydrophobicContact CD2-CB 4.12Å; L297-I875 HydrophobicContact CD2-CD1 4.44Å; L297-I875 HydrophobicContact CD2-CG1 3.55Å; L297-I875 HydrophobicContact CD2-CG2 3.6Å; L297-I875 HydrophobicContact CG-CD1 4.18Å; L297-I875 HydrophobicContact CG-CG1 3.57Å; L297-I875 HydrophobicContact CG-CG2 4.29Å; C873-I875 WeakPolarHBondContact O-CD1 3.42Å
876	Q	35.5	Very low	53.7	Low	165 Å²	165	98.5 Å²	98.5	77%	0.771	53%	0.531	S	S	*	.			trans	-66.9	143.3	-178.3	-68	-176	-8.7	0	0	111.8	V878	Q876-V878 PolarHBondContact O-N 3.15Å
877	P	34.8	Very low	54.6	Low	135 Å²	135	93.8 Å²	93.8	88%	0.877	51%	0.51	S	S	*	.			trans	-73.8	112.1	-178.1	28.4	-31.6	0	0	0	111.1
878	V	46	Very low	55.9	Low	127 Å²	127	93.4 Å²	93.4	77%	0.77	51%	0.505	S	S	*	.			trans	-99.9	137.9	163.5	-175.1	0	0	0	0	107.9	Q876 P880	Q876-V878 PolarHBondContact O-N 3.15Å; V878-P880 WeakPolarHBondContact O-CD 3.32Å
879	D	49.5	Very low	57.6	Low	59 Å²	59	92.8 Å²	92.8	32%	0.316	49%	0.488	S	S	.	.			trans	-62.4	115.8	178.1	-178.2	-16.6	0	0	0	110.2	T881 V882	D879-T881 PolarHBondContact O-N 2.78Å; D879-T881 VanDerWaalsContact O-N 3.1Å; D879-T881 WeakPolarHBondContact OD1-CB 3.44Å; D879-T881 PolarHBondContact OD1-N 3.42Å; D879-T881 PolarHBondContact OD1-OG1 3.05Å; D879-T881 PolarHBondContact OD2-OG1 3.46Å; D879-V882 HydrophobicContact CB-CG2 4.12Å; D879-V882 PolarHBondContact O-N 3.43Å
880	P	60.1	Low	59.3	Low	79 Å²	79	85.6 Å²	85.6	51%	0.513	46%	0.456	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-5	-175.3	30.4	-36.3	0	0	0	113.9	V878	V878-P880 WeakPolarHBondContact O-CD 3.32Å
881	T	74.8	Confident	60.8	Low	41 Å²	41	84.9 Å²	84.9	25%	0.252	45%	0.453	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.8	-2.4	179.9	68.3	0	0	0	0	113.8	D879 G955 I956	D879-T881 PolarHBondContact O-N 2.78Å; D879-T881 VanDerWaalsContact O-N 3.1Å; D879-T881 WeakPolarHBondContact OD1-CB 3.44Å; D879-T881 PolarHBondContact OD1-N 3.42Å; D879-T881 PolarHBondContact OD1-OG1 3.05Å; D879-T881 PolarHBondContact OD2-OG1 3.46Å; T881-G955 CarbonylContact O-C 3.47Å; T881-G955 WeakPolarHBondContact O-CA 3.43Å; T881-I956 PolarHBondContact O-N 2.82Å
882	V	77.1	Confident	62.6	Low	72 Å²	72	79.9 Å²	79.9	44%	0.436	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	120.3	177.6	-177.7	0	0	0	0	110.1	D879	D879-V882 HydrophobicContact CB-CG2 4.12Å; D879-V882 PolarHBondContact O-N 3.43Å
883	F	82.6	Confident	64.6	Low	4 Å²	4	77.5 Å²	77.5	2%	0.018	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	128.4	174	-70.1	-111.6	0	0	0	107.5	L888 Y907 V918 K954 I956 S957 I968	F883-L888 HydrophobicContact CD1-CD2 4.42Å; F883-Y907 HydrophobicContact CB-CD2 4.14Å; F883-Y907 HydrophobicContact CB-CE2 3.84Å; F883-Y907 AromaticContact CD1-CD1 3.55Å; F883-Y907 HydrophobicContact CD1-CD1 3.55Å; F883-Y907 AromaticContact CD1-CD2 3.5Å; F883-Y907 HydrophobicContact CD1-CD2 3.5Å; F883-Y907 AromaticContact CD1-CE1 3.88Å; F883-Y907 HydrophobicContact CD1-CE1 3.88Å; F883-Y907 AromaticContact CD1-CE2 3.85Å; F883-Y907 HydrophobicContact CD1-CE2 3.85Å; F883-Y907 AromaticContact CD1-CG 3.33Å; F883-Y907 HydrophobicContact CD1-CG 3.33Å; F883-Y907 AromaticContact CE1-CD1 3.65Å; F883-Y907 HydrophobicContact CE1-CD1 3.65Å; F883-Y907 HydrophobicContact CE1-CD2 4.36Å; F883-Y907 HydrophobicContact CE1-CE1 4.19Å; F883-Y907 AromaticContact CE1-CG 3.73Å; F883-Y907 HydrophobicContact CE1-CG 3.73Å; F883-Y907 HydrophobicContact CG-CD2 4.27Å; F883-Y907 HydrophobicContact CG-CE2 4.22Å; F883-Y907 HydrophobicContact CG-CG 4.42Å; F883-V918 HydrophobicContact CE1-CG1 4.13Å; F883-K954 HydrophobicContact CE2-CB 4.4Å; F883-K954 HydrophobicContact CZ-CB 4.25Å; F883-I956 PolarHBondContact N-O 3.41Å; F883-S957 WeakPolarHBondContact O-CA 3.49Å; F883-S957 VanDerWaalsContact O-CB 3.32Å; F883-S957 WeakPolarHBondContact O-CB 3.49Å; F883-S957 PolarHBondContact O-OG 2.98Å; F883-I968 HydrophobicContact CB-CD1 4.44Å; F883-I968 HydrophobicContact CB-CG1 4.05Å; F883-I968 HydrophobicContact CD1-CG1 4.29Å; F883-I968 HydrophobicContact CD1-CG2 4.02Å; F883-I968 HydrophobicContact CD2-CB 4.18Å; F883-I968 HydrophobicContact CD2-CG1 3.84Å; F883-I968 HydrophobicContact CD2-CG2 4.28Å; F883-I968 HydrophobicContact CE1-CG2 3.83Å; F883-I968 HydrophobicContact CE2-CB 4.24Å; F883-I968 HydrophobicContact CE2-CG1 4.4Å; F883-I968 HydrophobicContact CE2-CG2 4.09Å; F883-I968 HydrophobicContact CG-CB 4.42Å; F883-I968 HydrophobicContact CG-CD1 4.49Å; F883-I968 HydrophobicContact CG-CG1 3.8Å; F883-I968 HydrophobicContact CG-CG2 4.28Å; F883-I968 HydrophobicContact CZ-CG2 3.86Å
884	E	79.9	Confident	66.9	Low	70 Å²	70	75.2 Å²	75.2	33%	0.327	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	128.8	175.3	-58.3	178.2	-140.4	0	0	110.2	R886 F887 Y907	E884-R886 HydrophobicContact CB-CG 4.14Å; E884-R886 PolarHBondContact O-N 3.31Å; E884-R886 VanDerWaalsContact O-N 3.15Å; E884-R886 IonicContact OE1-NH2 3.05Å; E884-R886 IonicContact OE2-CZ 3.22Å; E884-R886 IonicContact OE2-NE 2.76Å; E884-R886 PolarHBondContact OE2-NE 3.12Å; E884-R886 IonicContact OE2-NH2 2.97Å; E884-R886 PolarHBondContact OE2-NH2 2.74Å; E884-F887 HydrophobicContact CB-CD2 3.6Å; E884-F887 HydrophobicContact CB-CE2 3.96Å; E884-F887 HydrophobicContact CB-CG 4.41Å; E884-F887 VanDerWaalsContact CD-CE2 3.42Å; E884-F887 HydrophobicContact CG-CD2 4.19Å; E884-F887 HydrophobicContact CG-CE2 4.18Å; E884-F887 PolarHBondContact O-N 3.45Å; E884-F887 WeakPolarHBondContact OE2-CE2 3.2Å; E884-Y907 PolarHBondContact N-OH 3.11Å
885	T	80.8	Confident	69	Low	29 Å²	29	70.8 Å²	70.8	18%	0.178	37%	0.365	C	S	.	.	G	3₁₀ helix	trans	-58.9	-35	-173.1	-53.3	0	0	0	0	112.4	F887 L888 S957 Q958 E959	T885-F887 PolarHBondContact O-N 3.1Å; T885-F887 VanDerWaalsContact O-N 3.08Å; T885-L888 PolarHBondContact O-N 3.48Å; T885-S957 VanDerWaalsContact CA-OG 3.27Å; T885-S957 WeakPolarHBondContact CA-OG 3.39Å; T885-S957 PolarHBondContact N-OG 2.98Å; T885-S957 VanDerWaalsContact N-OG 3.14Å; T885-S957 PolarHBondContact OG1-OG 3.46Å; T885-Q958 PolarHBondContact OG1-O 3.43Å; T885-E959 HydrophobicContact CG2-CG 3.78Å
886	R	77.3	Confident	70.8	Confident	178 Å²	178	73.1 Å²	73.1	67%	0.672	37%	0.374	S	S	*	.	G	3₁₀ helix	trans	-59.1	-20.5	177.6	61.3	177.9	176.9	-179.3	1.4	114.3	E884	E884-R886 HydrophobicContact CB-CG 4.14Å; E884-R886 PolarHBondContact O-N 3.31Å; E884-R886 VanDerWaalsContact O-N 3.15Å; E884-R886 IonicContact OE1-NH2 3.05Å; E884-R886 IonicContact OE2-CZ 3.22Å; E884-R886 IonicContact OE2-NE 2.76Å; E884-R886 PolarHBondContact OE2-NE 3.12Å; E884-R886 IonicContact OE2-NH2 2.97Å; E884-R886 PolarHBondContact OE2-NH2 2.74Å
887	F	83.1	Confident	72.2	Confident	36 Å²	36	66.1 Å²	66.1	16%	0.158	35%	0.347	C	S	.	.	G	3₁₀ helix	trans	-101	-5.2	-179.6	-56.1	-42.3	0	0	0	113	E884 T885 R889 Y907 D908 P909	E884-F887 HydrophobicContact CB-CD2 3.6Å; E884-F887 HydrophobicContact CB-CE2 3.96Å; E884-F887 HydrophobicContact CB-CG 4.41Å; E884-F887 VanDerWaalsContact CD-CE2 3.42Å; E884-F887 HydrophobicContact CG-CD2 4.19Å; E884-F887 HydrophobicContact CG-CE2 4.18Å; E884-F887 PolarHBondContact O-N 3.45Å; E884-F887 WeakPolarHBondContact OE2-CE2 3.2Å; T885-F887 PolarHBondContact O-N 3.1Å; T885-F887 VanDerWaalsContact O-N 3.08Å; F887-R889 PolarHBondContact O-N 3.38Å; F887-Y907 HydrophobicContact CB-CD2 3.92Å; F887-Y907 HydrophobicContact CB-CE2 3.65Å; F887-Y907 HydrophobicContact CD2-CE2 4.23Å; F887-Y907 HydrophobicContact CG-CE2 4.47Å; F887-Y907 WeakPolarHBondContact O-CA 3.26Å; F887-D908 PolarHBondContact O-N 3.44Å; F887-P909 HydrophobicContact CB-CB 4.49Å; F887-P909 HydrophobicContact CB-CG 4.31Å; F887-P909 HydrophobicContact CD1-CB 4.47Å; F887-P909 HydrophobicContact CD2-CB 3.67Å; F887-P909 HydrophobicContact CD2-CG 3.98Å; F887-P909 WeakPolarHBondContact CE1-O 3.43Å; F887-P909 HydrophobicContact CE2-CB 3.89Å; F887-P909 HydrophobicContact CG-CB 4.02Å; F887-P909 HydrophobicContact CG-CG 4.31Å; F887-P909 HydrophobicContact CZ-CB 4.38Å
888	L	84.4	Confident	73.4	Confident	27 Å²	27	62.1 Å²	62.1	14%	0.141	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	106.9	174.4	-70.8	171.5	0	0	0	110	F883 T885 C905 Y907 V918 V920 S957 I968	F883-L888 HydrophobicContact CD1-CD2 4.42Å; T885-L888 PolarHBondContact O-N 3.48Å; L888-C905 HydrophobicContact CD2-CB 4.18Å; L888-Y907 HydrophobicContact CD2-CD2 3.72Å; L888-Y907 HydrophobicContact CD2-CG 4.21Å; L888-Y907 HydrophobicContact CG-CD2 4.02Å; L888-V918 HydrophobicContact CD2-CG2 3.97Å; L888-V920 HydrophobicContact CD1-CG1 4.45Å; L888-V920 HydrophobicContact CD1-CG2 4.37Å; L888-V920 HydrophobicContact CD2-CG2 4.11Å; L888-S957 WeakPolarHBondContact CD1-OG 3.35Å; L888-I968 HydrophobicContact CD1-CD1 3.91Å; L888-I968 HydrophobicContact CD2-CD1 4.48Å
889	R	82.1	Confident	74.1	Confident	104 Å²	104	56.5 Å²	56.5	39%	0.392	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	109.6	175.5	-63.8	-179.5	171.6	176.8	-8.2	109.6	F887 C905 R906 D908 G911	F887-R889 PolarHBondContact O-N 3.38Å; R889-C905 CarbonylContact O-C 3.59Å; R889-C905 VanDerWaalsContact O-CA 3.27Å; R889-C905 WeakPolarHBondContact O-CA 3.01Å; R889-R906 PolarHBondContact N-O 2.89Å; R889-R906 PolarHBondContact O-N 3.42Å; R889-D908 IonicContact CZ-OD2 2.57Å; R889-D908 VanDerWaalsContact CZ-OD2 3.31Å; R889-D908 IonicContact NE-OD2 3.02Å; R889-D908 IonicContact NH1-OD2 2.68Å; R889-D908 PolarHBondContact NH1-OD2 2.98Å; R889-G911 PolarHBondContact NH1-O 3.07Å; R889-G911 PolarHBondContact NH2-O 3.44Å
890	K	82.6	Confident	75.2	Confident	38 Å²	38	53.8 Å²	53.8	17%	0.165	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.9	136.9	175.4	-179.2	175.7	172.3	170.4	0	110.6	E618 Q628 E903	E618-K890 IonicContact OE1-NZ 2.73Å; E618-K890 PolarHBondContact OE1-NZ 3.46Å; Q628-K890 PolarHBondContact NE2-O 3.11Å; K890-E903 WeakPolarHBondContact CD-OE1 3.28Å; K890-E903 WeakPolarHBondContact CE-OE1 3.5Å; K890-E903 IonicContact NZ-OE1 3.2Å; K890-E903 PolarHBondContact NZ-OE1 2.87Å
891	I	78.4	Confident	76.2	Confident	18 Å²	18	51.5 Å²	51.5	9%	0.092	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	-51.3	178.2	-70.1	173.3	0	0	0	110.7	L665 Y667 L904 R906 M917	L665-I891 HydrophobicContact CD2-CD1 4.23Å; Y667-I891 HydrophobicContact CD1-CG2 4.41Å; Y667-I891 HydrophobicContact CE1-CG2 3.85Å; I891-L904 HydrophobicContact CB-CD2 4.48Å; I891-L904 HydrophobicContact CB-CG 4.25Å; I891-L904 WeakPolarHBondContact CB-O 3.32Å; I891-L904 HydrophobicContact CG2-CD2 4.19Å; I891-L904 HydrophobicContact CG2-CG 4.49Å; I891-L904 PolarHBondContact N-O 3.28Å; I891-R906 HydrophobicContact CD1-CB 3.97Å; I891-M917 HydrophobicContact CD1-CE 3.26Å; I891-M917 HydrophobicContact CD1-SD 3.56Å; I891-M917 VanDerWaalsContact CD1-SD 3.56Å
892	R	75.1	Confident	76.8	Confident	77 Å²	77	51 Å²	51	29%	0.291	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.7	165.2	175.5	65.1	175.4	177.4	178.3	-3	111	L904 Y971	R892-L904 HydrophobicContact CG-CB 4.01Å; R892-L904 HydrophobicContact CG-CD2 4.11Å; R892-L904 PolarHBondContact N-O 3.22Å; R892-L904 WeakPolarHBondContact O-CB 3.43Å; R892-L904 PolarHBondContact O-N 3.2Å; R892-Y971 PolarHBondContact NH2-OH 3.1Å
893	E	78.8	Confident	77.2	Confident	64 Å²	64	48.4 Å²	48.4	30%	0.299	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76	140.8	168.8	-172.5	161.2	-174.4	0	0	111.4	K901	E893-K901 HydrophobicContact CG-CD 4.49Å; E893-K901 HydrophobicContact CG-CG 4.24Å; E893-K901 WeakPolarHBondContact OE1-CD 3.39Å; E893-K901 WeakPolarHBondContact OE1-CE 3.47Å; E893-K901 WeakPolarHBondContact OE1-CG 3.49Å; E893-K901 IonicContact OE1-NZ 2.84Å; E893-K901 WeakPolarHBondContact OE2-CE 3.14Å; E893-K901 IonicContact OE2-NZ 2.68Å; E893-K901 PolarHBondContact OE2-NZ 3.02Å
894	L	79	Confident	77.4	Confident	55 Å²	55	48.4 Å²	48.4	29%	0.288	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	-28.3	175.6	-65.4	177.8	0	0	0	112.1	V902 L904 A919 Y971	L894-V902 HydrophobicContact CB-CG1 4.27Å; L894-V902 HydrophobicContact CD1-CG1 4.29Å; L894-V902 PolarHBondContact N-O 2.82Å; L894-L904 HydrophobicContact CD1-CB 3.98Å; L894-L904 HydrophobicContact CD2-CB 3.91Å; L894-L904 HydrophobicContact CG-CB 3.84Å; L894-A919 HydrophobicContact CD1-CB 4.06Å; L894-Y971 HydrophobicContact CD1-CD2 3.76Å; L894-Y971 HydrophobicContact CD1-CE2 3.89Å; L894-Y971 HydrophobicContact CD2-CD2 4.39Å; L894-Y971 HydrophobicContact CD2-CE2 3.67Å; L894-Y971 HydrophobicContact CG-CE2 4.45Å
895	G	73.3	Confident	77.8	Confident	31 Å²	31	45.2 Å²	45.2	32%	0.32	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	157.7	177.3	175.7	0	0	0	0	0	112.4	V902	G895-V902 PolarHBondContact N-O 3Å; G895-V902 WeakPolarHBondContact O-CA 3.42Å; G895-V902 PolarHBondContact O-N 3.31Å
896	E	72.5	Confident	77.9	Confident	126 Å²	126	44.6 Å²	44.6	59%	0.589	21%	0.209	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-115.6	120.2	-177.2	-166.8	-176.7	172.5	0	0	109.7	K924	E896-K924 WeakPolarHBondContact OE1-CE 3.47Å; E896-K924 IonicContact OE1-NZ 4Å; E896-K924 PolarHBondContact OE1-NZ 2.88Å
897	G	63.6	Low	78.3	Confident	18 Å²	18	37.7 Å²	37.7	19%	0.186	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	178.3	176.8	0	0	0	0	0	112	F899 G900	G897-F899 VanDerWaalsContact C-N 3.25Å; G897-F899 PolarHBondContact O-N 3Å; G897-F899 VanDerWaalsContact O-N 3.12Å; G897-G900 PolarHBondContact N-O 3.19Å; G897-G900 PolarHBondContact O-N 3.36Å
898	H	60.4	Low	78.1	Confident	51 Å²	51	36.1 Å²	36.1	24%	0.236	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-31.5	-172.1	-174.7	98.7	0	0	0	114.4	D1034 N1054 D1055	H898-D1034 PolarHBondContact N-OD2 2.89Å; H898-N1054 WeakPolarHBondContact NE2-CB 3.49Å; H898-D1055 PolarHBondContact CE1-O 3.11Å; H898-D1055 PolarHBondContact ND1-O 3.24Å
899	F	61.6	Low	77.6	Confident	10 Å²	10	37 Å²	37	4%	0.044	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.3	-0.5	-175.7	-62.4	-87.8	0	0	0	113.6	G897 L923 N934 G1036 L1037	G897-F899 VanDerWaalsContact C-N 3.25Å; G897-F899 PolarHBondContact O-N 3Å; G897-F899 VanDerWaalsContact O-N 3.12Å; F899-L923 HydrophobicContact CB-CD2 4.43Å; F899-L923 WeakPolarHBondContact O-CD2 3.38Å; F899-N934 HydrophobicContact CD1-CB 3.64Å; F899-N934 HydrophobicContact CE1-CB 3.43Å; F899-N934 VanDerWaalsContact CE1-CB 3.43Å; F899-N934 HydrophobicContact CZ-CB 4.33Å; F899-G1036 WeakPolarHBondContact CE2-O 3.34Å; F899-G1036 VanDerWaalsContact CZ-C 3.43Å; F899-G1036 WeakPolarHBondContact CZ-O 3.34Å; F899-L1037 HydrophobicContact CE2-CD2 4.19Å; F899-L1037 HydrophobicContact CE2-CG 4.09Å; F899-L1037 HydrophobicContact CZ-CD2 3.96Å; F899-L1037 HydrophobicContact CZ-CG 4.36Å
900	G	71.3	Confident	76.8	Confident	1 Å²	1	35.3 Å²	35.3	1%	0.01	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	162.3	172.6	-173.1	0	0	0	0	0	115.8	G897 S922	G897-G900 PolarHBondContact N-O 3.19Å; G897-G900 PolarHBondContact O-N 3.36Å; G900-S922 CarbonylContact C-O 3.5Å; G900-S922 WeakPolarHBondContact CA-O 3.04Å
901	K	81.8	Confident	76	Confident	32 Å²	32	35 Å²	35	14%	0.139	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	138.9	179.2	-179.3	165.8	167.8	156.6	0	110	E618 E893 E903 K921 S922	E618-K901 IonicContact OE1-NZ 2.66Å; E618-K901 PolarHBondContact OE1-NZ 3.46Å; E893-K901 HydrophobicContact CG-CD 4.49Å; E893-K901 HydrophobicContact CG-CG 4.24Å; E893-K901 WeakPolarHBondContact OE1-CD 3.39Å; E893-K901 WeakPolarHBondContact OE1-CE 3.47Å; E893-K901 WeakPolarHBondContact OE1-CG 3.49Å; E893-K901 IonicContact OE1-NZ 2.84Å; E893-K901 WeakPolarHBondContact OE2-CE 3.14Å; E893-K901 IonicContact OE2-NZ 2.68Å; E893-K901 PolarHBondContact OE2-NZ 3.02Å; K901-E903 HydrophobicContact CD-CG 4.45Å; K901-E903 VanDerWaalsContact CE-OE1 3.29Å; K901-E903 WeakPolarHBondContact CE-OE1 3.38Å; K901-E903 HydrophobicContact CG-CG 3.96Å; K901-K921 WeakPolarHBondContact O-CA 3.19Å; K901-S922 PolarHBondContact N-O 2.7Å; K901-S922 VanDerWaalsContact N-O 3.07Å; K901-S922 PolarHBondContact O-N 3.09Å
902	V	87.1	Confident	75.4	Confident	29 Å²	29	35.5 Å²	35.5	18%	0.176	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	122.1	174.8	-173.4	0	0	0	0	108.6	L894 G895 A919 V920 K921 M969	L894-V902 HydrophobicContact CB-CG1 4.27Å; L894-V902 HydrophobicContact CD1-CG1 4.29Å; L894-V902 PolarHBondContact N-O 2.82Å; G895-V902 PolarHBondContact N-O 3Å; G895-V902 WeakPolarHBondContact O-CA 3.42Å; G895-V902 PolarHBondContact O-N 3.31Å; V902-A919 HydrophobicContact CG1-CB 4.22Å; V902-V920 CarbonylContact C-O 3.58Å; V902-V920 WeakPolarHBondContact CA-O 3.44Å; V902-K921 HydrophobicContact CG2-CB 4.25Å; V902-K921 HydrophobicContact CG2-CD 4.41Å; V902-K921 HydrophobicContact CG2-CG 4.01Å; V902-M969 HydrophobicContact CG1-CE 4.39Å
903	E	86.7	Confident	75.1	Confident	19 Å²	19	36 Å²	36	9%	0.089	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	143	-175.4	-55.2	-177.5	139.4	0	0	110.4	K890 K901 A919 V920	K890-E903 WeakPolarHBondContact CD-OE1 3.28Å; K890-E903 WeakPolarHBondContact CE-OE1 3.5Å; K890-E903 IonicContact NZ-OE1 3.2Å; K890-E903 PolarHBondContact NZ-OE1 2.87Å; K901-E903 HydrophobicContact CD-CG 4.45Å; K901-E903 VanDerWaalsContact CE-OE1 3.29Å; K901-E903 WeakPolarHBondContact CE-OE1 3.38Å; K901-E903 HydrophobicContact CG-CG 3.96Å; E903-A919 CarbonylContact O-C 3.53Å; E903-A919 WeakPolarHBondContact O-CA 3.44Å; E903-V920 PolarHBondContact N-O 3.45Å; E903-V920 PolarHBondContact O-N 2.72Å
904	L	86.4	Confident	74.7	Confident	3 Å²	3	33.4 Å²	33.4	2%	0.016	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	117.4	165.1	-178.8	56.1	0	0	0	108	I891 R892 L894 M917 Y971	I891-L904 HydrophobicContact CB-CD2 4.48Å; I891-L904 HydrophobicContact CB-CG 4.25Å; I891-L904 WeakPolarHBondContact CB-O 3.32Å; I891-L904 HydrophobicContact CG2-CD2 4.19Å; I891-L904 HydrophobicContact CG2-CG 4.49Å; I891-L904 PolarHBondContact N-O 3.28Å; R892-L904 HydrophobicContact CG-CB 4.01Å; R892-L904 HydrophobicContact CG-CD2 4.11Å; R892-L904 PolarHBondContact N-O 3.22Å; R892-L904 WeakPolarHBondContact O-CB 3.43Å; R892-L904 PolarHBondContact O-N 3.2Å; L894-L904 HydrophobicContact CD1-CB 3.98Å; L894-L904 HydrophobicContact CD2-CB 3.91Å; L894-L904 HydrophobicContact CG-CB 3.84Å; L904-M917 HydrophobicContact CD1-CB 4.42Å; L904-M917 HydrophobicContact CD1-CE 3.51Å; L904-M917 HydrophobicContact CD2-CE 3.6Å; L904-M917 HydrophobicContact CG-CE 3.54Å; L904-Y971 HydrophobicContact CD1-CD1 3.68Å; L904-Y971 HydrophobicContact CD1-CD2 3.58Å; L904-Y971 HydrophobicContact CD1-CE1 3.95Å; L904-Y971 HydrophobicContact CD1-CE2 3.9Å; L904-Y971 HydrophobicContact CD1-CG 3.47Å; L904-Y971 VanDerWaalsContact CD1-CG 3.47Å; L904-Y971 HydrophobicContact CD2-CE1 4.06Å; L904-Y971 HydrophobicContact CD2-CE2 4.19Å
905	C	87.8	Confident	74.3	Confident	4 Å²	4	31.3 Å²	31.3	3%	0.027	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	155.2	176.1	-60.7	0	0	0	0	111	L888 R889 M917 V918 V920	L888-C905 HydrophobicContact CD2-CB 4.18Å; R889-C905 CarbonylContact O-C 3.59Å; R889-C905 VanDerWaalsContact O-CA 3.27Å; R889-C905 WeakPolarHBondContact O-CA 3.01Å; C905-M917 WeakPolarHBondContact O-CA 3.43Å; C905-V918 HydrophobicContact CB-CG2 4.15Å; C905-V918 PolarHBondContact N-O 3.19Å; C905-V918 WeakPolarHBondContact O-CG2 3.43Å; C905-V918 PolarHBondContact O-N 3.08Å; C905-V920 HydrophobicContact CB-CG2 3.6Å
906	R	83.1	Confident	74.6	Confident	15 Å²	15	32.9 Å²	32.9	6%	0.057	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	121.3	163.2	-173.3	179.4	-62	178.8	-0.8	108.7	E682 R889 I891 D908 R913 G915 E916 M917	E682-R906 VanDerWaalsContact CD-NH2 3.26Å; E682-R906 IonicContact OE1-CZ 2.7Å; E682-R906 IonicContact OE1-NH1 3.31Å; E682-R906 PolarHBondContact OE1-NH1 3.37Å; E682-R906 IonicContact OE1-NH2 2.67Å; E682-R906 PolarHBondContact OE1-NH2 3.41Å; E682-R906 VanDerWaalsContact OE1-NH2 3.12Å; E682-R906 IonicContact OE2-NH2 2.7Å; E682-R906 PolarHBondContact OE2-NH2 3.13Å; R889-R906 PolarHBondContact N-O 2.89Å; R889-R906 PolarHBondContact O-N 3.42Å; I891-R906 HydrophobicContact CD1-CB 3.97Å; R906-D908 HydrophobicContact CG-CB 4.28Å; R906-D908 PolarHBondContact O-N 3.18Å; R906-R913 PolarHBondContact NH1-O 3.22Å; R906-G915 WeakPolarHBondContact CG-O 3.34Å; R906-E916 WeakPolarHBondContact CA-O 3.31Å; R906-M917 HydrophobicContact CB-SD 4.23Å; R906-M917 HydrophobicContact CG-SD 4.46Å
907	Y	85.2	Confident	75	Confident	34 Å²	34	28 Å²	28	13%	0.133	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	105.9	173.2	-179.8	-114.4	0	0	0	110.1	F883 E884 F887 L888 P909 G915 E916	F883-Y907 HydrophobicContact CB-CD2 4.14Å; F883-Y907 HydrophobicContact CB-CE2 3.84Å; F883-Y907 AromaticContact CD1-CD1 3.55Å; F883-Y907 HydrophobicContact CD1-CD1 3.55Å; F883-Y907 AromaticContact CD1-CD2 3.5Å; F883-Y907 HydrophobicContact CD1-CD2 3.5Å; F883-Y907 AromaticContact CD1-CE1 3.88Å; F883-Y907 HydrophobicContact CD1-CE1 3.88Å; F883-Y907 AromaticContact CD1-CE2 3.85Å; F883-Y907 HydrophobicContact CD1-CE2 3.85Å; F883-Y907 AromaticContact CD1-CG 3.33Å; F883-Y907 HydrophobicContact CD1-CG 3.33Å; F883-Y907 AromaticContact CE1-CD1 3.65Å; F883-Y907 HydrophobicContact CE1-CD1 3.65Å; F883-Y907 HydrophobicContact CE1-CD2 4.36Å; F883-Y907 HydrophobicContact CE1-CE1 4.19Å; F883-Y907 AromaticContact CE1-CG 3.73Å; F883-Y907 HydrophobicContact CE1-CG 3.73Å; F883-Y907 HydrophobicContact CG-CD2 4.27Å; F883-Y907 HydrophobicContact CG-CE2 4.22Å; F883-Y907 HydrophobicContact CG-CG 4.42Å; E884-Y907 PolarHBondContact N-OH 3.11Å; F887-Y907 HydrophobicContact CB-CD2 3.92Å; F887-Y907 HydrophobicContact CB-CE2 3.65Å; F887-Y907 HydrophobicContact CD2-CE2 4.23Å; F887-Y907 HydrophobicContact CG-CE2 4.47Å; F887-Y907 WeakPolarHBondContact O-CA 3.26Å; L888-Y907 HydrophobicContact CD2-CD2 3.72Å; L888-Y907 HydrophobicContact CD2-CG 4.21Å; L888-Y907 HydrophobicContact CG-CD2 4.02Å; Y907-P909 HydrophobicContact CD1-CG 3.99Å; Y907-P909 HydrophobicContact CE1-CG 3.42Å; Y907-P909 VanDerWaalsContact CE1-CG 3.42Å; Y907-P909 HydrophobicContact CE2-CG 4.2Å; Y907-G915 CarbonylContact O-C 3.51Å; Y907-G915 WeakPolarHBondContact O-CA 3.5Å; Y907-E916 PolarHBondContact N-O 3.02Å; Y907-E916 PolarHBondContact O-N 3.05Å
908	D	79.5	Confident	76.2	Confident	2 Å²	2	27.1 Å²	27.1	1%	0.011	14%	0.137	C	C	.	.			trans	-130.3	74.1	-164	-172.5	23.6	0	0	0	112.8	F887 R889 R906 R910 G911 D912 R913	F887-D908 PolarHBondContact O-N 3.44Å; R889-D908 IonicContact CZ-OD2 2.57Å; R889-D908 VanDerWaalsContact CZ-OD2 3.31Å; R889-D908 IonicContact NE-OD2 3.02Å; R889-D908 IonicContact NH1-OD2 2.68Å; R889-D908 PolarHBondContact NH1-OD2 2.98Å; R906-D908 HydrophobicContact CG-CB 4.28Å; R906-D908 PolarHBondContact O-N 3.18Å; D908-R910 VanDerWaalsContact C-N 3.29Å; D908-R910 PolarHBondContact O-N 3.2Å; D908-G911 PolarHBondContact O-N 3.4Å; D908-G911 VanDerWaalsContact O-N 3.11Å; D908-G911 WeakPolarHBondContact OD2-CA 3.21Å; D908-D912 PolarHBondContact OD1-N 3.06Å; D908-R913 PolarHBondContact OD1-N 3.06Å; D908-R913 VanDerWaalsContact OD1-N 3.14Å; D908-R913 WeakPolarHBondContact OD2-CA 3.22Å; D908-R913 PolarHBondContact OD2-N 2.97Å
909	P	73.3	Confident	77.7	Confident	46 Å²	46	25 Å²	25	30%	0.299	13%	0.128	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-32.2	-174.9	-26.7	37	0	0	0	116.1	F887 Y907 G911	F887-P909 HydrophobicContact CB-CB 4.49Å; F887-P909 HydrophobicContact CB-CG 4.31Å; F887-P909 HydrophobicContact CD1-CB 4.47Å; F887-P909 HydrophobicContact CD2-CB 3.67Å; F887-P909 HydrophobicContact CD2-CG 3.98Å; F887-P909 WeakPolarHBondContact CE1-O 3.43Å; F887-P909 HydrophobicContact CE2-CB 3.89Å; F887-P909 HydrophobicContact CG-CB 4.02Å; F887-P909 HydrophobicContact CG-CG 4.31Å; F887-P909 HydrophobicContact CZ-CB 4.38Å; Y907-P909 HydrophobicContact CD1-CG 3.99Å; Y907-P909 HydrophobicContact CE1-CG 3.42Å; Y907-P909 VanDerWaalsContact CE1-CG 3.42Å; Y907-P909 HydrophobicContact CE2-CG 4.2Å; P909-G911 VanDerWaalsContact C-N 3.33Å
910	R	64.9	Low	79	Confident	69 Å²	69	24.6 Å²	24.6	26%	0.26	13%	0.127	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.5	-12	-180	-63.7	-179.6	-170.9	-105	-12.8	112.6	E296 S298 E745 D908 D912	E296-R910 IonicContact OE2-CZ 3.29Å; E296-R910 IonicContact OE2-NE 3.47Å; E296-R910 PolarHBondContact OE2-NE 3.12Å; E296-R910 VanDerWaalsContact OE2-NE 3.09Å; E296-R910 IonicContact OE2-NH2 2.92Å; S298-R910 PolarHBondContact O-NH2 3.48Å; S298-R910 PolarHBondContact OG-NH2 3.43Å; E745-R910 PolarHBondContact O-NH1 2.97Å; D908-R910 VanDerWaalsContact C-N 3.29Å; D908-R910 PolarHBondContact O-N 3.2Å; R910-D912 HydrophobicContact CB-CB 4.31Å; R910-D912 PolarHBondContact O-N 3.31Å
911	G	66.8	Low	79.8	Confident	30 Å²	30	24.7 Å²	24.7	31%	0.309	13%	0.127	S	C	.	.	S	Bend	trans	68.5	5.4	-175.3	0	0	0	0	0	114.7	R889 D908 P909 R913	R889-G911 PolarHBondContact NH1-O 3.07Å; R889-G911 PolarHBondContact NH2-O 3.44Å; D908-G911 PolarHBondContact O-N 3.4Å; D908-G911 VanDerWaalsContact O-N 3.11Å; D908-G911 WeakPolarHBondContact OD2-CA 3.21Å; P909-G911 VanDerWaalsContact C-N 3.33Å; G911-R913 VanDerWaalsContact C-N 3.27Å; G911-R913 PolarHBondContact O-N 3.36Å
912	D	65.8	Low	79.9	Confident	30 Å²	30	24.2 Å²	24.2	16%	0.16	13%	0.127	C	C	.	.	S	Bend	trans	-85.3	7.8	-177	67.7	2	0	0	0	113.1	R738 D908 R910 T914	R738-D912 IonicContact CZ-OD2 3.46Å; R738-D912 IonicContact NH1-OD2 3.57Å; R738-D912 PolarHBondContact NH1-OD2 3.1Å; D908-D912 PolarHBondContact OD1-N 3.06Å; R910-D912 HydrophobicContact CB-CB 4.31Å; R910-D912 PolarHBondContact O-N 3.31Å; D912-T914 HydrophobicContact CB-CG2 4.46Å; D912-T914 VanDerWaalsContact CG-OG1 3.31Å; D912-T914 PolarHBondContact O-N 3.11Å; D912-T914 VanDerWaalsContact OD1-CB 3.31Å; D912-T914 WeakPolarHBondContact OD1-CB 3.49Å; D912-T914 WeakPolarHBondContact OD1-CG2 3.3Å; D912-T914 PolarHBondContact OD1-N 3.29Å; D912-T914 VanDerWaalsContact OD1-N 3.11Å; D912-T914 PolarHBondContact OD1-OG1 3.12Å; D912-T914 PolarHBondContact OD2-OG1 2.9Å
913	R	67.4	Low	79.2	Confident	87 Å²	87	24.8 Å²	24.8	33%	0.328	13%	0.129	S	C	.	.	S	Bend	trans	67.1	12.9	177.4	-57.7	-179	-175	-176.1	2.2	114	K751 R906 D908 G911 G915	K751-R913 PolarHBondContact NZ-O 2.96Å; R906-R913 PolarHBondContact NH1-O 3.22Å; D908-R913 PolarHBondContact OD1-N 3.06Å; D908-R913 VanDerWaalsContact OD1-N 3.14Å; D908-R913 WeakPolarHBondContact OD2-CA 3.22Å; D908-R913 PolarHBondContact OD2-N 2.97Å; G911-R913 VanDerWaalsContact C-N 3.27Å; G911-R913 PolarHBondContact O-N 3.36Å; R913-G915 VanDerWaalsContact C-N 3.32Å
914	T	71.3	Confident	78	Confident	10 Å²	10	28.4 Å²	28.4	6%	0.061	15%	0.145	C	C	.	.			trans	-85	-6.6	176.8	66.3	0	0	0	0	113.7	A737 F749 D912	A737-T914 HydrophobicContact CB-CG2 3.7Å; F749-T914 HydrophobicContact CB-CG2 3.9Å; F749-T914 HydrophobicContact CD1-CG2 3.5Å; F749-T914 HydrophobicContact CD2-CG2 4.06Å; F749-T914 HydrophobicContact CE1-CG2 3.98Å; F749-T914 HydrophobicContact CE2-CG2 4.46Å; F749-T914 HydrophobicContact CG-CG2 3.54Å; F749-T914 HydrophobicContact CZ-CG2 4.42Å; D912-T914 HydrophobicContact CB-CG2 4.46Å; D912-T914 VanDerWaalsContact CG-OG1 3.31Å; D912-T914 PolarHBondContact O-N 3.11Å; D912-T914 VanDerWaalsContact OD1-CB 3.31Å; D912-T914 WeakPolarHBondContact OD1-CB 3.49Å; D912-T914 WeakPolarHBondContact OD1-CG2 3.3Å; D912-T914 PolarHBondContact OD1-N 3.29Å; D912-T914 VanDerWaalsContact OD1-N 3.11Å; D912-T914 PolarHBondContact OD1-OG1 3.12Å; D912-T914 PolarHBondContact OD2-OG1 2.9Å
915	G	70.8	Confident	76.6	Confident	11 Å²	11	34.6 Å²	34.6	11%	0.113	19%	0.185	C	C	.	.	P	Polyproline II helix	trans	-52.2	153.7	-178.4	0	0	0	0	0	117	R906 Y907 R913	R906-G915 WeakPolarHBondContact CG-O 3.34Å; Y907-G915 CarbonylContact O-C 3.51Å; Y907-G915 WeakPolarHBondContact O-CA 3.5Å; R913-G915 VanDerWaalsContact C-N 3.32Å
916	E	79	Confident	75	Confident	64 Å²	64	42.5 Å²	42.5	30%	0.299	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	143.6	179.6	-162.7	-163	-164.1	0	0	111.9	K295 R906 Y907 K954	K295-E916 WeakPolarHBondContact CE-OE2 3.46Å; K295-E916 IonicContact NZ-OE2 2.73Å; K295-E916 PolarHBondContact NZ-OE2 2.76Å; R906-E916 WeakPolarHBondContact CA-O 3.31Å; Y907-E916 PolarHBondContact N-O 3.02Å; Y907-E916 PolarHBondContact O-N 3.05Å; E916-K954 IonicContact OE1-NZ 3.99Å; E916-K954 PolarHBondContact OE1-NZ 3.18Å; E916-K954 IonicContact OE2-NZ 3.36Å; E916-K954 PolarHBondContact OE2-NZ 3.23Å
917	M	81.3	Confident	73.6	Confident	22 Å²	22	47 Å²	47	11%	0.108	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	127.7	170	-56.3	-64.3	-65.1	0	0	110.9	L665 I891 L904 C905 R906 K954 Y971	L665-M917 HydrophobicContact CD1-CE 4.29Å; L665-M917 HydrophobicContact CD2-CE 3.74Å; L665-M917 HydrophobicContact CD2-SD 4.08Å; I891-M917 HydrophobicContact CD1-CE 3.26Å; I891-M917 HydrophobicContact CD1-SD 3.56Å; I891-M917 VanDerWaalsContact CD1-SD 3.56Å; L904-M917 HydrophobicContact CD1-CB 4.42Å; L904-M917 HydrophobicContact CD1-CE 3.51Å; L904-M917 HydrophobicContact CD2-CE 3.6Å; L904-M917 HydrophobicContact CG-CE 3.54Å; C905-M917 WeakPolarHBondContact O-CA 3.43Å; R906-M917 HydrophobicContact CB-SD 4.23Å; R906-M917 HydrophobicContact CG-SD 4.46Å; M917-K954 PolarHBondContact O-NZ 2.93Å; M917-Y971 HydrophobicContact CB-CD1 4.31Å
918	V	89.3	Confident	72.2	Confident	0 Å²	0	48.3 Å²	48.3	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	149	-177.9	-64.9	0	0	0	0	110.6	F883 L888 C905 V920 K954 I968	F883-V918 HydrophobicContact CE1-CG1 4.13Å; L888-V918 HydrophobicContact CD2-CG2 3.97Å; C905-V918 HydrophobicContact CB-CG2 4.15Å; C905-V918 PolarHBondContact N-O 3.19Å; C905-V918 WeakPolarHBondContact O-CG2 3.43Å; C905-V918 PolarHBondContact O-N 3.08Å; V918-V920 HydrophobicContact CG2-CG2 3.82Å; V918-K954 HydrophobicContact CG1-CD 3.86Å; V918-I968 HydrophobicContact CB-CG2 3.66Å; V918-I968 HydrophobicContact CG1-CG2 3.85Å; V918-I968 HydrophobicContact CG2-CG2 3.94Å
919	A	90.8	Very high	71.4	Confident	6 Å²	6	56.2 Å²	56.2	5%	0.05	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	124.6	167.2	0	0	0	0	0	108.5	L894 V902 E903 M969	L894-A919 HydrophobicContact CD1-CB 4.06Å; V902-A919 HydrophobicContact CG1-CB 4.22Å; E903-A919 CarbonylContact O-C 3.53Å; E903-A919 WeakPolarHBondContact O-CA 3.44Å; A919-M969 HydrophobicContact CB-CB 4.26Å; A919-M969 HydrophobicContact CB-CE 4.45Å; A919-M969 PolarHBondContact N-O 3.07Å; A919-M969 PolarHBondContact O-N 2.87Å
920	V	90.1	Very high	70.7	Confident	2 Å²	2	60 Å²	60	1%	0.012	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	119.4	-176.3	-178	0	0	0	0	108.6	L888 V902 E903 C905 V918 K966 L967 I968	L888-V920 HydrophobicContact CD1-CG1 4.45Å; L888-V920 HydrophobicContact CD1-CG2 4.37Å; L888-V920 HydrophobicContact CD2-CG2 4.11Å; V902-V920 CarbonylContact C-O 3.58Å; V902-V920 WeakPolarHBondContact CA-O 3.44Å; E903-V920 PolarHBondContact N-O 3.45Å; E903-V920 PolarHBondContact O-N 2.72Å; C905-V920 HydrophobicContact CB-CG2 3.6Å; V918-V920 HydrophobicContact CG2-CG2 3.82Å; V920-K966 HydrophobicContact CG1-CB 3.79Å; V920-K966 HydrophobicContact CG1-CD 4Å; V920-K966 HydrophobicContact CG1-CG 4.41Å; V920-L967 CarbonylContact C-O 3.59Å; V920-L967 WeakPolarHBondContact CA-O 3.2Å; V920-I968 HydrophobicContact CB-CD1 4.27Å; V920-I968 HydrophobicContact CG1-CD1 3.88Å; V920-I968 HydrophobicContact CG2-CD1 3.73Å
921	K	88.6	Confident	70.6	Confident	3 Å²	3	59.1 Å²	59.1	1%	0.013	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	123.6	173.8	-169.5	179.1	-163.4	-173.5	0	109.4	K901 V902 L935 E938 K966 L967 M969 D1034	K901-K921 WeakPolarHBondContact O-CA 3.19Å; V902-K921 HydrophobicContact CG2-CB 4.25Å; V902-K921 HydrophobicContact CG2-CD 4.41Å; V902-K921 HydrophobicContact CG2-CG 4.01Å; K921-L935 HydrophobicContact CD-CD1 4.33Å; K921-E938 IonicContact NZ-OE1 2.7Å; K921-E938 PolarHBondContact NZ-OE1 2.62Å; K921-E938 IonicContact NZ-OE2 3.68Å; K921-E938 PolarHBondContact NZ-OE2 2.89Å; K921-K966 CarbonylContact O-C 3.49Å; K921-K966 WeakPolarHBondContact O-CA 3.41Å; K921-L967 HydrophobicContact CB-CB 4.24Å; K921-L967 HydrophobicContact CD-CD2 4.43Å; K921-L967 PolarHBondContact N-O 3.26Å; K921-L967 PolarHBondContact O-N 3.32Å; K921-M969 HydrophobicContact CB-CE 3.87Å; K921-D1034 IonicContact NZ-OD1 2.77Å; K921-D1034 PolarHBondContact NZ-OD1 2.99Å
922	S	82.8	Confident	70.7	Confident	22 Å²	22	58.8 Å²	58.8	15%	0.154	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	145.3	178.9	52.4	0	0	0	0	111.6	G900 K901	G900-S922 CarbonylContact C-O 3.5Å; G900-S922 WeakPolarHBondContact CA-O 3.04Å; K901-S922 PolarHBondContact N-O 2.7Å; K901-S922 VanDerWaalsContact N-O 3.07Å; K901-S922 PolarHBondContact O-N 3.09Å
923	L	71.5	Confident	70.9	Confident	41 Å²	41	61.7 Å²	61.7	22%	0.215	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	151.2	176.7	-65.9	168.1	0	0	0	111.6	F899 Q931 S932 L935	F899-L923 HydrophobicContact CB-CD2 4.43Å; F899-L923 WeakPolarHBondContact O-CD2 3.38Å; L923-Q931 HydrophobicContact CD2-CB 4.01Å; L923-S932 VanDerWaalsContact CD1-CA 3.5Å; L923-L935 HydrophobicContact CD1-CB 4.27Å; L923-L935 HydrophobicContact CD1-CD2 4.13Å; L923-L935 HydrophobicContact CD2-CB 3.79Å; L923-L935 HydrophobicContact CD2-CD2 4.15Å; L923-L935 HydrophobicContact CD2-CG 4.48Å; L923-L935 HydrophobicContact CG-CB 4.2Å; L923-L935 HydrophobicContact CG-CD2 3.78Å
924	K	63.1	Low	71.1	Confident	96 Å²	96	58 Å²	58	42%	0.417	32%	0.316	S	S	.	.			trans	-70.5	145.8	169.5	-68.7	-174.3	177.5	-173.7	0	110.5	E896 E926	E896-K924 WeakPolarHBondContact OE1-CE 3.47Å; E896-K924 IonicContact OE1-NZ 4Å; E896-K924 PolarHBondContact OE1-NZ 2.88Å; K924-E926 PolarHBondContact O-N 3.3Å; K924-E926 VanDerWaalsContact O-N 3.11Å
925	P	56.7	Low	71.3	Confident	133 Å²	133	57.7 Å²	57.7	86%	0.864	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.7	-9.9	-177.3	23.6	-32	0	0	0	114.9
926	E	54.5	Low	71.8	Confident	170 Å²	170	60.2 Å²	60.2	79%	0.794	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.7	-7.5	-165.1	-64.8	-168.1	147.1	0	0	117	K924	K924-E926 PolarHBondContact O-N 3.3Å; K924-E926 VanDerWaalsContact O-N 3.11Å
927	N	53.3	Low	71.9	Confident	109 Å²	109	62.4 Å²	62.4	58%	0.583	33%	0.332	S	S	*	.			trans	-152.2	90.5	178.6	-87	-33.7	0	0	0	113.1	Q931	N927-Q931 HydrophobicContact CB-CG 4.09Å; N927-Q931 WeakPolarHBondContact O-CB 3.39Å; N927-Q931 WeakPolarHBondContact O-CG 3.47Å
928	G	56.6	Low	72.1	Confident	61 Å²	61	61.4 Å²	61.4	63%	0.629	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.4	-34.3	-156.3	0	0	0	0	0	119.7	S932	G928-S932 VanDerWaalsContact O-CB 3.29Å; G928-S932 WeakPolarHBondContact O-CB 3.26Å
929	E	60.8	Low	72	Confident	168 Å²	168	61.6 Å²	61.6	79%	0.785	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.4	-46.5	-169.3	-68.9	-170.5	176.7	0	0	114.3	S932 N933	E929-S932 PolarHBondContact O-N 2.88Å; E929-N933 PolarHBondContact O-N 3.28Å; E929-N933 PolarHBondContact O-ND2 2.58Å
930	E	59.9	Low	71.7	Confident	126 Å²	126	66.8 Å²	66.8	59%	0.589	35%	0.352	S	S	*	.	H	α-helix	trans	-71.7	-37.8	-177.4	-169.7	171.7	-167.8	0	0	112.3	S932 N933 N934	E930-S932 VanDerWaalsContact C-N 3.35Å; E930-N933 PolarHBondContact O-N 3.39Å; E930-N934 PolarHBondContact O-N 3.31Å; E930-N934 PolarHBondContact O-ND2 2.77Å
931	Q	63	Low	71.6	Confident	51 Å²	51	67.4 Å²	67.4	24%	0.238	36%	0.355	C	S	.	.	H	α-helix	trans	-69.6	-33.6	175.9	-59.4	-171.8	-6.1	0	0	111.8	L923 N927 N934 L935	L923-Q931 HydrophobicContact CD2-CB 4.01Å; N927-Q931 HydrophobicContact CB-CG 4.09Å; N927-Q931 WeakPolarHBondContact O-CB 3.39Å; N927-Q931 WeakPolarHBondContact O-CG 3.47Å; Q931-N934 PolarHBondContact O-N 3.41Å; Q931-N934 VanDerWaalsContact O-N 3.14Å; Q931-L935 PolarHBondContact O-N 3.1Å
932	S	67.9	Low	71.5	Confident	23 Å²	23	67.3 Å²	67.3	16%	0.161	35%	0.354	C	S	.	.	H	α-helix	trans	-61.9	-44.2	173.9	-173.9	0	0	0	0	112.5	L923 G928 E929 E930 N934 L935 L936	L923-S932 VanDerWaalsContact CD1-CA 3.5Å; G928-S932 VanDerWaalsContact O-CB 3.29Å; G928-S932 WeakPolarHBondContact O-CB 3.26Å; E929-S932 PolarHBondContact O-N 2.88Å; E930-S932 VanDerWaalsContact C-N 3.35Å; S932-N934 VanDerWaalsContact C-N 3.26Å; S932-N934 PolarHBondContact O-N 2.78Å; S932-L935 PolarHBondContact O-N 3.4Å; S932-L936 PolarHBondContact O-N 2.67Å
933	N	70.4	Confident	71.6	Confident	91 Å²	91	71.4 Å²	71.4	49%	0.487	37%	0.369	S	S	.	.	H	α-helix	trans	-63	-31	173.6	-74.6	-35	0	0	0	113.2	E929 E930 K937	E929-N933 PolarHBondContact O-N 3.28Å; E929-N933 PolarHBondContact O-ND2 2.58Å; E930-N933 PolarHBondContact O-N 3.39Å; N933-K937 VanDerWaalsContact O-CG 3.28Å; N933-K937 WeakPolarHBondContact O-CG 3.45Å; N933-K937 PolarHBondContact O-N 2.91Å; N933-K937 VanDerWaalsContact O-N 3.16Å
934	N	71.6	Confident	72.3	Confident	10 Å²	10	72 Å²	72	5%	0.053	38%	0.38	C	S	.	.	H	α-helix	trans	-75.5	-40.2	176.9	-72.9	-34.4	0	0	0	112.4	F899 E930 Q931 S932 K937 E938	F899-N934 HydrophobicContact CD1-CB 3.64Å; F899-N934 HydrophobicContact CE1-CB 3.43Å; F899-N934 VanDerWaalsContact CE1-CB 3.43Å; F899-N934 HydrophobicContact CZ-CB 4.33Å; E930-N934 PolarHBondContact O-N 3.31Å; E930-N934 PolarHBondContact O-ND2 2.77Å; Q931-N934 PolarHBondContact O-N 3.41Å; Q931-N934 VanDerWaalsContact O-N 3.14Å; S932-N934 VanDerWaalsContact C-N 3.26Å; S932-N934 PolarHBondContact O-N 2.78Å; N934-K937 WeakPolarHBondContact O-CB 3.13Å; N934-K937 PolarHBondContact O-N 2.8Å; N934-E938 PolarHBondContact O-N 2.81Å
935	L	75.9	Confident	73.3	Confident	2 Å²	2	67.9 Å²	67.9	1%	0.01	36%	0.363	C	S	.	.	H	α-helix	trans	-65.4	-39.3	173.3	-176.3	67.4	0	0	0	111.8	K921 L923 Q931 S932 K937 E938 I939 I965 L967	K921-L935 HydrophobicContact CD-CD1 4.33Å; L923-L935 HydrophobicContact CD1-CB 4.27Å; L923-L935 HydrophobicContact CD1-CD2 4.13Å; L923-L935 HydrophobicContact CD2-CB 3.79Å; L923-L935 HydrophobicContact CD2-CD2 4.15Å; L923-L935 HydrophobicContact CD2-CG 4.48Å; L923-L935 HydrophobicContact CG-CB 4.2Å; L923-L935 HydrophobicContact CG-CD2 3.78Å; Q931-L935 PolarHBondContact O-N 3.1Å; S932-L935 PolarHBondContact O-N 3.4Å; L935-K937 VanDerWaalsContact C-N 3.31Å; L935-K937 PolarHBondContact O-N 3.44Å; L935-E938 WeakPolarHBondContact O-CB 3.42Å; L935-E938 PolarHBondContact O-N 3.22Å; L935-E938 VanDerWaalsContact O-N 3.15Å; L935-I939 HydrophobicContact CG-CD1 4.05Å; L935-I939 WeakPolarHBondContact O-CD1 3.45Å; L935-I939 VanDerWaalsContact O-CG1 3.3Å; L935-I939 WeakPolarHBondContact O-CG1 3.4Å; L935-I939 PolarHBondContact O-N 2.92Å; L935-I965 WeakPolarHBondContact CD2-O 3.42Å; L935-L967 HydrophobicContact CD1-CB 4.12Å
936	L	80.9	Confident	74.7	Confident	64 Å²	64	67.9 Å²	67.9	34%	0.335	35%	0.346	S	S	.	.	H	α-helix	trans	-57.5	-43.9	172.1	-82.5	171.5	0	0	0	112	S932 E938 I939 E940 I965	S932-L936 PolarHBondContact O-N 2.67Å; L936-E938 VanDerWaalsContact C-N 3.35Å; L936-I939 WeakPolarHBondContact O-CB 2.96Å; L936-I939 PolarHBondContact O-N 3.14Å; L936-E940 WeakPolarHBondContact O-CG 3.09Å; L936-E940 PolarHBondContact O-N 3.34Å; L936-I965 HydrophobicContact CD1-CD1 4.22Å; L936-I965 HydrophobicContact CD2-CD1 3.39Å; L936-I965 HydrophobicContact CG-CD1 3.89Å
937	K	80.3	Confident	76.4	Confident	110 Å²	110	62.1 Å²	62.1	48%	0.478	32%	0.319	S	S	.	.	H	α-helix	trans	-63.2	-41.2	174.3	-73.2	167.7	-172.2	166.4	0	111.7	N933 N934 L935 I939 E940 I941	N933-K937 VanDerWaalsContact O-CG 3.28Å; N933-K937 WeakPolarHBondContact O-CG 3.45Å; N933-K937 PolarHBondContact O-N 2.91Å; N933-K937 VanDerWaalsContact O-N 3.16Å; N934-K937 WeakPolarHBondContact O-CB 3.13Å; N934-K937 PolarHBondContact O-N 2.8Å; L935-K937 VanDerWaalsContact C-N 3.31Å; L935-K937 PolarHBondContact O-N 3.44Å; K937-I939 VanDerWaalsContact C-N 3.34Å; K937-E940 PolarHBondContact O-N 2.52Å; K937-I941 WeakPolarHBondContact O-CB 3.43Å; K937-I941 WeakPolarHBondContact O-CD1 3.35Å; K937-I941 WeakPolarHBondContact O-CG1 3.27Å; K937-I941 PolarHBondContact O-N 2.99Å
938	E	86.3	Confident	78.1	Confident	2 Å²	2	62 Å²	62	1%	0.009	32%	0.315	C	S	.	.	H	α-helix	trans	-60.2	-44.2	175.2	-173.9	172.9	-177.3	0	0	111.6	K921 N934 L935 L936 I941 L942 L967 F1035 G1036	K921-E938 IonicContact NZ-OE1 2.7Å; K921-E938 PolarHBondContact NZ-OE1 2.62Å; K921-E938 IonicContact NZ-OE2 3.68Å; K921-E938 PolarHBondContact NZ-OE2 2.89Å; N934-E938 PolarHBondContact O-N 2.81Å; L935-E938 WeakPolarHBondContact O-CB 3.42Å; L935-E938 PolarHBondContact O-N 3.22Å; L935-E938 VanDerWaalsContact O-N 3.15Å; L936-E938 VanDerWaalsContact C-N 3.35Å; E938-I941 PolarHBondContact O-N 2.92Å; E938-L942 WeakPolarHBondContact O-CB 3.42Å; E938-L942 PolarHBondContact O-N 2.84Å; E938-L967 HydrophobicContact CG-CD2 4.19Å; E938-F1035 HydrophobicContact CG-CB 3.87Å; E938-F1035 PolarHBondContact OE1-N 2.92Å; E938-F1035 VanDerWaalsContact OE1-N 3.09Å; E938-G1036 VanDerWaalsContact CD-CA 3.49Å; E938-G1036 VanDerWaalsContact CD-N 3.27Å; E938-G1036 PolarHBondContact OE1-N 2.81Å; E938-G1036 WeakPolarHBondContact OE2-CA 3.35Å
939	I	86.3	Confident	80	Confident	4 Å²	4	59.4 Å²	59.4	2%	0.021	29%	0.287	C	S	.	.	H	α-helix	trans	-58.8	-51.1	175.8	-71.6	159	0	0	0	110.6	L935 L936 K937 I941 L942 K943 Y953 I956 I965 L967	L935-I939 HydrophobicContact CG-CD1 4.05Å; L935-I939 WeakPolarHBondContact O-CD1 3.45Å; L935-I939 VanDerWaalsContact O-CG1 3.3Å; L935-I939 WeakPolarHBondContact O-CG1 3.4Å; L935-I939 PolarHBondContact O-N 2.92Å; L936-I939 WeakPolarHBondContact O-CB 2.96Å; L936-I939 PolarHBondContact O-N 3.14Å; K937-I939 VanDerWaalsContact C-N 3.34Å; I939-I941 VanDerWaalsContact C-N 3.32Å; I939-I941 PolarHBondContact O-N 3.38Å; I939-L942 PolarHBondContact O-N 3.23Å; I939-K943 WeakPolarHBondContact O-CB 3.5Å; I939-K943 PolarHBondContact O-N 3.1Å; I939-Y953 HydrophobicContact CG2-CE2 4.02Å; I939-I956 HydrophobicContact CD1-CG2 3.76Å; I939-I956 HydrophobicContact CG1-CG2 4.09Å; I939-I956 HydrophobicContact CG2-CG2 3.72Å; I939-I965 HydrophobicContact CD1-CG2 3.55Å; I939-L967 HydrophobicContact CD1-CB 4.34Å; I939-L967 HydrophobicContact CG1-CB 3.89Å; I939-L967 HydrophobicContact CG1-CD1 3.91Å; I939-L967 HydrophobicContact CG1-CD2 4.48Å; I939-L967 HydrophobicContact CG1-CG 4.29Å
940	E	86.2	Confident	81.6	Confident	115 Å²	115	51.6 Å²	51.6	54%	0.537	25%	0.25	S	S	.	.	H	α-helix	trans	-63.1	-38.1	-179.6	-71.3	-57.5	131.3	0	0	112.4	L936 K937 A944	L936-E940 WeakPolarHBondContact O-CG 3.09Å; L936-E940 PolarHBondContact O-N 3.34Å; K937-E940 PolarHBondContact O-N 2.52Å; E940-A944 PolarHBondContact O-N 3.42Å
941	I	87.1	Confident	83.2	Confident	15 Å²	15	45.8 Å²	45.8	8%	0.077	22%	0.224	C	C	.	.	H	α-helix	trans	-64.8	-55.9	174.8	-69.5	166.4	0	0	0	109.6	K937 E938 I939 K943 A944 L945 Y1012 F1035 T1038	K937-I941 WeakPolarHBondContact O-CB 3.43Å; K937-I941 WeakPolarHBondContact O-CD1 3.35Å; K937-I941 WeakPolarHBondContact O-CG1 3.27Å; K937-I941 PolarHBondContact O-N 2.99Å; E938-I941 PolarHBondContact O-N 2.92Å; I939-I941 VanDerWaalsContact C-N 3.32Å; I939-I941 PolarHBondContact O-N 3.38Å; I941-K943 VanDerWaalsContact C-N 3.3Å; I941-K943 PolarHBondContact O-N 2.62Å; I941-A944 PolarHBondContact O-N 2.93Å; I941-L945 HydrophobicContact CG2-CD1 3.82Å; I941-L945 HydrophobicContact CG2-CG 4.48Å; I941-L945 VanDerWaalsContact O-CG 3.32Å; I941-L945 WeakPolarHBondContact O-CG 3.46Å; I941-L945 PolarHBondContact O-N 3.2Å; I941-Y1012 HydrophobicContact CD1-CE1 4.44Å; I941-Y1012 HydrophobicContact CG1-CD1 4.33Å; I941-Y1012 HydrophobicContact CG1-CE1 3.81Å; I941-Y1012 HydrophobicContact CG2-CD1 4.31Å; I941-Y1012 HydrophobicContact CG2-CE1 4.26Å; I941-F1035 HydrophobicContact CG2-CD1 4.22Å; I941-T1038 HydrophobicContact CD1-CG2 4.08Å; I941-T1038 WeakPolarHBondContact CD1-O 3.42Å; I941-T1038 HydrophobicContact CG2-CG2 3.87Å
942	L	86.4	Confident	84.4	Confident	1 Å²	1	47.1 Å²	47.1	1%	0.005	23%	0.229	C	C	.	.	H	α-helix	trans	-64.5	-35.4	-174.5	-165.4	58.7	0	0	0	112.3	E938 I939 A944 L945 I950 V951 L967 M969 F1035	E938-L942 WeakPolarHBondContact O-CB 3.42Å; E938-L942 PolarHBondContact O-N 2.84Å; I939-L942 PolarHBondContact O-N 3.23Å; L942-A944 PolarHBondContact O-N 2.86Å; L942-L945 PolarHBondContact O-N 3.04Å; L942-I950 HydrophobicContact CD1-CG2 4.17Å; L942-V951 WeakPolarHBondContact CD1-O 3.39Å; L942-L967 HydrophobicContact CD2-CD1 4.34Å; L942-L967 HydrophobicContact CD2-CD2 4.13Å; L942-M969 HydrophobicContact CD2-CG 3.92Å; L942-M969 HydrophobicContact CD2-SD 3.88Å; L942-F1035 HydrophobicContact CD1-CD2 3.45Å; L942-F1035 VanDerWaalsContact CD1-CD2 3.45Å; L942-F1035 HydrophobicContact CD1-CE2 3.5Å; L942-F1035 VanDerWaalsContact CD1-CE2 3.5Å; L942-F1035 HydrophobicContact CD1-CG 4.13Å; L942-F1035 HydrophobicContact CD1-CZ 4.23Å; L942-F1035 HydrophobicContact CG-CD2 4.48Å
943	K	85.4	Confident	85.4	Confident	107 Å²	107	48 Å²	48	47%	0.465	23%	0.229	S	C	.	.	H	α-helix	trans	-60.7	-31.2	173.3	-177.4	175.9	178.8	-180	0	112.7	I939 I941 Y953	I939-K943 WeakPolarHBondContact O-CB 3.5Å; I939-K943 PolarHBondContact O-N 3.1Å; I941-K943 VanDerWaalsContact C-N 3.3Å; I941-K943 PolarHBondContact O-N 2.62Å; K943-Y953 HydrophobicContact CB-CD1 4.15Å; K943-Y953 HydrophobicContact CB-CD2 4.42Å; K943-Y953 HydrophobicContact CB-CE1 4.23Å; K943-Y953 HydrophobicContact CB-CG 4.23Å; K943-Y953 HydrophobicContact CD-CE1 4.21Å; K943-Y953 HydrophobicContact CG-CD1 4.14Å; K943-Y953 HydrophobicContact CG-CE1 3.98Å
944	A	85.3	Confident	86	Confident	53 Å²	53	45.9 Å²	45.9	44%	0.438	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.4	-6.9	178.8	0	0	0	0	0	114.1	E940 I941 L942	E940-A944 PolarHBondContact O-N 3.42Å; I941-A944 PolarHBondContact O-N 2.93Å; L942-A944 PolarHBondContact O-N 2.86Å
945	L	85.1	Confident	86.8	Confident	11 Å²	11	45.4 Å²	45.4	6%	0.058	21%	0.213	C	C	.	.			trans	-101.8	129.2	-176.9	-62.5	173.8	0	0	0	111.1	I941 L942 I950 Y1006 L1007 R1010 Y1012 F1035	I941-L945 HydrophobicContact CG2-CD1 3.82Å; I941-L945 HydrophobicContact CG2-CG 4.48Å; I941-L945 VanDerWaalsContact O-CG 3.32Å; I941-L945 WeakPolarHBondContact O-CG 3.46Å; I941-L945 PolarHBondContact O-N 3.2Å; L942-L945 PolarHBondContact O-N 3.04Å; L945-I950 HydrophobicContact CB-CG2 4.32Å; L945-Y1006 HydrophobicContact CB-CE1 4.44Å; L945-Y1006 HydrophobicContact CD2-CE1 3.88Å; L945-L1007 HydrophobicContact CD1-CD1 3.59Å; L945-L1007 HydrophobicContact CD2-CD1 3.75Å; L945-L1007 HydrophobicContact CG-CD1 4.34Å; L945-R1010 HydrophobicContact CD2-CG 4.45Å; L945-Y1012 HydrophobicContact CD2-CD2 4.01Å; L945-Y1012 HydrophobicContact CD2-CE2 4.15Å; L945-F1035 HydrophobicContact CD1-CD1 3.81Å; L945-F1035 HydrophobicContact CD1-CE1 3.47Å; L945-F1035 VanDerWaalsContact CD1-CE1 3.47Å; L945-F1035 HydrophobicContact CD1-CZ 4.05Å
946	Y	85.9	Confident	87.4	Confident	132 Å²	132	46.9 Å²	46.9	52%	0.518	22%	0.22	S	C	.	.			trans	-140	107.5	174.7	-171.9	-101.3	0	0	0	109.8	R397 Y1006	R397-Y946 PolarHBondContact NH2-OH 2.94Å; R397-Y946 VanDerWaalsContact NH2-OH 3.16Å; Y946-Y1006 PolarHBondContact N-OH 3.07Å
947	H	89.3	Confident	87.6	Confident	50 Å²	50	43.8 Å²	43.8	23%	0.231	20%	0.204	C	C	.	.			trans	-158.3	148.9	-178.8	-174.2	-95	0	0	0	110.1	N949 I950 Y1006	H947-N949 VanDerWaalsContact C-N 3.27Å; H947-N949 PolarHBondContact CE1-OD1 3.37Å; H947-N949 PolarHBondContact ND1-N 3.35Å; H947-N949 PolarHBondContact O-N 2.98Å; H947-I950 HydrophobicContact CB-CB 4.23Å; H947-I950 HydrophobicContact CB-CD1 4.06Å; H947-I950 HydrophobicContact CB-CG1 4.14Å; H947-I950 PolarHBondContact O-N 2.86Å; H947-Y1006 HydrophobicContact CB-CD1 3.65Å; H947-Y1006 HydrophobicContact CB-CE1 3.91Å; H947-Y1006 HydrophobicContact CB-CG 4.01Å; H947-Y1006 AromaticContact CD2-CG 3.7Å; H947-Y1006 AromaticContact CG-CG 3.96Å
948	E	89.7	Confident	87.5	Confident	107 Å²	107	43.7 Å²	43.7	50%	0.5	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-36.2	-178.1	-64.9	-173.8	166.1	0	0	112.8	K1031	E948-K1031 WeakPolarHBondContact O-CE 3.36Å; E948-K1031 WeakPolarHBondContact O-CG 3.45Å
949	N	96.3	Very high	86.6	Confident	5 Å²	5	47.2 Å²	47.2	3%	0.027	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.6	23.7	179	-52.7	116.6	0	0	0	114.2	H947 Q999 V1030 K1031 I1032	H947-N949 VanDerWaalsContact C-N 3.27Å; H947-N949 PolarHBondContact CE1-OD1 3.37Å; H947-N949 PolarHBondContact ND1-N 3.35Å; H947-N949 PolarHBondContact O-N 2.98Å; N949-Q999 WeakPolarHBondContact CB-O 3.25Å; N949-Q999 WeakPolarHBondContact ND2-CB 3.43Å; N949-Q999 PolarHBondContact ND2-OE1 2.85Å; N949-Q999 PolarHBondContact OD1-O 2.94Å; N949-V1030 WeakPolarHBondContact CA-O 3.07Å; N949-V1030 PolarHBondContact ND2-O 3.41Å; N949-K1031 CarbonylContact O-C 3.56Å; N949-K1031 WeakPolarHBondContact O-CA 3.08Å; N949-I1032 WeakPolarHBondContact O-CG1 3.37Å; N949-I1032 PolarHBondContact O-N 3.45Å
950	I	94.8	Very high	85	Confident	4 Å²	4	56.5 Å²	56.5	2%	0.021	27%	0.265	C	S	.	.	B	Isolated β-bridge	trans	-128.4	138.6	173	-68	179.1	0	0	0	109	L942 L945 H947 K952 Y1006 F1035	L942-I950 HydrophobicContact CD1-CG2 4.17Å; L945-I950 HydrophobicContact CB-CG2 4.32Å; H947-I950 HydrophobicContact CB-CB 4.23Å; H947-I950 HydrophobicContact CB-CD1 4.06Å; H947-I950 HydrophobicContact CB-CG1 4.14Å; H947-I950 PolarHBondContact O-N 2.86Å; I950-K952 PolarHBondContact O-N 2.98Å; I950-Y1006 HydrophobicContact CD1-CD1 3.65Å; I950-Y1006 HydrophobicContact CD1-CE1 4.04Å; I950-F1035 HydrophobicContact CD1-CZ 4.44Å; I950-F1035 HydrophobicContact CG1-CZ 4.37Å; I950-F1035 HydrophobicContact CG2-CE2 3.86Å; I950-F1035 HydrophobicContact CG2-CZ 3.54Å
951	V	92.2	Very high	83.5	Confident	4 Å²	4	54.5 Å²	54.5	2%	0.024	28%	0.275	C	S	.	.	P	Polyproline II helix	trans	-59.7	132.8	177.8	174.5	0	0	0	0	110.8	L942 M969 E970 L972 L1023 K1031 I1032	L942-V951 WeakPolarHBondContact CD1-O 3.39Å; V951-M969 HydrophobicContact CG1-CB 4.08Å; V951-M969 HydrophobicContact CG1-CG 4.44Å; V951-M969 HydrophobicContact CG1-SD 4.33Å; V951-E970 HydrophobicContact CG1-CG 4.09Å; V951-L972 HydrophobicContact CG2-CD1 4.13Å; V951-L1023 HydrophobicContact CG2-CD1 3.79Å; V951-K1031 HydrophobicContact CG2-CB 4.13Å; V951-I1032 WeakPolarHBondContact CG2-O 3.46Å; V951-I1032 PolarHBondContact N-O 3.39Å
952	K	88.9	Confident	82	Confident	79 Å²	79	56.1 Å²	56.1	34%	0.343	30%	0.296	S	S	.	.	P	Polyproline II helix	trans	-76.6	129.4	-179.3	-65.3	171.7	-168	160.2	0	112.6	I950 M969 E970	I950-K952 PolarHBondContact O-N 2.98Å; K952-M969 WeakPolarHBondContact O-CA 3.46Å; K952-E970 HydrophobicContact CB-CB 4.3Å; K952-E970 HydrophobicContact CB-CG 3.98Å; K952-E970 WeakPolarHBondContact CB-OE1 3.32Å; K952-E970 WeakPolarHBondContact CD-OE2 3.33Å; K952-E970 VanDerWaalsContact CG-OE1 3.29Å; K952-E970 WeakPolarHBondContact CG-OE1 3.45Å; K952-E970 PolarHBondContact N-OE1 3.44Å; K952-E970 IonicContact NZ-OE2 2.81Å; K952-E970 PolarHBondContact O-N 3.4Å; K952-E970 VanDerWaalsContact O-N 3.07Å
953	Y	89.1	Confident	80.6	Confident	42 Å²	42	65 Å²	65	17%	0.165	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64	135.3	161.2	175.6	-100.7	0	0	0	110.8	I939 K943 G955 I956 L967	I939-Y953 HydrophobicContact CG2-CE2 4.02Å; K943-Y953 HydrophobicContact CB-CD1 4.15Å; K943-Y953 HydrophobicContact CB-CD2 4.42Å; K943-Y953 HydrophobicContact CB-CE1 4.23Å; K943-Y953 HydrophobicContact CB-CG 4.23Å; K943-Y953 HydrophobicContact CD-CE1 4.21Å; K943-Y953 HydrophobicContact CG-CD1 4.14Å; K943-Y953 HydrophobicContact CG-CE1 3.98Å; Y953-G955 VanDerWaalsContact CE2-O 3.26Å; Y953-G955 WeakPolarHBondContact CE2-O 3.25Å; Y953-G955 WeakPolarHBondContact OH-CA 3.36Å; Y953-I956 HydrophobicContact CE2-CG2 4.28Å; Y953-L967 HydrophobicContact CD2-CD1 3.57Å; Y953-L967 HydrophobicContact CE2-CD1 3.74Å
954	K	83.1	Confident	79.8	Confident	47 Å²	47	62.5 Å²	62.5	20%	0.204	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	-35.7	173.1	-75.4	-170.3	169.4	-176.4	0	113.5	F883 E916 M917 V918 I968	F883-K954 HydrophobicContact CE2-CB 4.4Å; F883-K954 HydrophobicContact CZ-CB 4.25Å; E916-K954 IonicContact OE1-NZ 3.99Å; E916-K954 PolarHBondContact OE1-NZ 3.18Å; E916-K954 IonicContact OE2-NZ 3.36Å; E916-K954 PolarHBondContact OE2-NZ 3.23Å; M917-K954 PolarHBondContact O-NZ 2.93Å; V918-K954 HydrophobicContact CG1-CD 3.86Å; K954-I968 HydrophobicContact CB-CB 4.36Å; K954-I968 HydrophobicContact CB-CG2 4.06Å; K954-I968 WeakPolarHBondContact CB-O 3.19Å; K954-I968 PolarHBondContact N-O 3.08Å
955	G	87.5	Confident	79.5	Confident	0 Å²	0	61 Å²	61	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	166.7	-168	-174.9	0	0	0	0	0	113.4	T881 Y953 I968	T881-G955 CarbonylContact O-C 3.47Å; T881-G955 WeakPolarHBondContact O-CA 3.43Å; Y953-G955 VanDerWaalsContact CE2-O 3.26Å; Y953-G955 WeakPolarHBondContact CE2-O 3.25Å; Y953-G955 WeakPolarHBondContact OH-CA 3.36Å; G955-I968 PolarHBondContact N-O 3.17Å; G955-I968 WeakPolarHBondContact O-CB 3.47Å; G955-I968 PolarHBondContact O-N 3.31Å
956	I	88.7	Confident	79.5	Confident	32 Å²	32	62.3 Å²	62.3	16%	0.164	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	154.7	172.4	56.7	171.9	0	0	0	110.9	T881 F883 I939 Y953 Q958 I965 K966	T881-I956 PolarHBondContact O-N 2.82Å; F883-I956 PolarHBondContact N-O 3.41Å; I939-I956 HydrophobicContact CD1-CG2 3.76Å; I939-I956 HydrophobicContact CG1-CG2 4.09Å; I939-I956 HydrophobicContact CG2-CG2 3.72Å; Y953-I956 HydrophobicContact CE2-CG2 4.28Å; I956-Q958 HydrophobicContact CD1-CG 4.47Å; I956-I965 HydrophobicContact CB-CG2 4.28Å; I956-I965 HydrophobicContact CG2-CG2 4.28Å; I956-K966 CarbonylContact C-O 3.53Å; I956-K966 VanDerWaalsContact CA-O 3.27Å; I956-K966 WeakPolarHBondContact CA-O 3.23Å
957	S	85.1	Confident	79.7	Confident	0 Å²	0	56 Å²	56	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	132.8	167.7	-166.4	0	0	0	0	110	F883 T885 L888 I965 K966	F883-S957 WeakPolarHBondContact O-CA 3.49Å; F883-S957 VanDerWaalsContact O-CB 3.32Å; F883-S957 WeakPolarHBondContact O-CB 3.49Å; F883-S957 PolarHBondContact O-OG 2.98Å; T885-S957 VanDerWaalsContact CA-OG 3.27Å; T885-S957 WeakPolarHBondContact CA-OG 3.39Å; T885-S957 PolarHBondContact N-OG 2.98Å; T885-S957 VanDerWaalsContact N-OG 3.14Å; T885-S957 PolarHBondContact OG1-OG 3.46Å; L888-S957 WeakPolarHBondContact CD1-OG 3.35Å; S957-I965 CarbonylContact O-C 3.56Å; S957-I965 WeakPolarHBondContact O-CA 3.22Å; S957-K966 PolarHBondContact N-O 3.23Å; S957-K966 PolarHBondContact O-N 3.45Å
958	Q	78.4	Confident	79.8	Confident	107 Å²	107	53.7 Å²	53.7	50%	0.5	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	131.8	176	-64.8	-174.9	0.9	0	0	109.3	T885 I956 I965	T885-Q958 PolarHBondContact OG1-O 3.43Å; I956-Q958 HydrophobicContact CD1-CG 4.47Å; Q958-I965 HydrophobicContact CG-CG1 4.38Å
959	E	67.1	Low	79.8	Confident	76 Å²	76	49.4 Å²	49.4	36%	0.355	26%	0.263	S	S	.	.			trans	-78	155.1	172.8	-71.5	177.3	-179.8	0	0	111.9	T885 G961 G962 T964 K966	T885-E959 HydrophobicContact CG2-CG 3.78Å; E959-G961 PolarHBondContact O-N 3.32Å; E959-G962 PolarHBondContact O-N 3.06Å; E959-T964 VanDerWaalsContact CB-OG1 3.3Å; E959-T964 WeakPolarHBondContact CB-OG1 3.27Å; E959-T964 VanDerWaalsContact CG-OG1 3.29Å; E959-T964 WeakPolarHBondContact CG-OG1 3.24Å; E959-T964 PolarHBondContact N-O 3.29Å; E959-T964 PolarHBondContact OE2-OG1 3.37Å; E959-K966 WeakPolarHBondContact OE1-CE 3.28Å; E959-K966 IonicContact OE1-NZ 3.31Å; E959-K966 PolarHBondContact OE1-NZ 3.24Å
960	E	53.5	Low	79.5	Confident	199 Å²	199	50.2 Å²	50.2	93%	0.93	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.7	120.8	176.6	-79.2	-176.4	165.9	0	0	110.3
961	G	54.3	Low	79.1	Confident	73 Å²	73	51.2 Å²	51.2	75%	0.753	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	100.1	-0.8	-173.9	0	0	0	0	0	115.3	E959 K963	E959-G961 PolarHBondContact O-N 3.32Å; G961-K963 PolarHBondContact O-N 3.44Å
962	G	56.6	Low	78.8	Confident	50 Å²	50	51.7 Å²	51.7	52%	0.515	27%	0.272	S	S	.	.	S	Bend	trans	69.5	11.8	168.8	0	0	0	0	0	115.6	E959	E959-G962 PolarHBondContact O-N 3.06Å
963	K	56.4	Low	78.1	Confident	188 Å²	188	48.7 Å²	48.7	82%	0.817	26%	0.261	S	S	*	.			trans	-81.8	-23.5	-172.4	-74.5	-176.6	177.5	179.5	0	114.4	G961	G961-K963 PolarHBondContact O-N 3.44Å
964	T	67.8	Low	77.7	Confident	53 Å²	53	47.2 Å²	47.2	33%	0.325	26%	0.256	S	S	.	.			trans	-135.3	128.5	-176.9	57	0	0	0	0	110.1	E959	E959-T964 VanDerWaalsContact CB-OG1 3.3Å; E959-T964 WeakPolarHBondContact CB-OG1 3.27Å; E959-T964 VanDerWaalsContact CG-OG1 3.29Å; E959-T964 WeakPolarHBondContact CG-OG1 3.24Å; E959-T964 PolarHBondContact N-O 3.29Å; E959-T964 PolarHBondContact OE2-OG1 3.37Å
965	I	78.9	Confident	77.8	Confident	22 Å²	22	46 Å²	46	11%	0.113	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	134.3	177	-57.6	176.9	0	0	0	107.3	L935 L936 I939 I956 S957 Q958	L935-I965 WeakPolarHBondContact CD2-O 3.42Å; L936-I965 HydrophobicContact CD1-CD1 4.22Å; L936-I965 HydrophobicContact CD2-CD1 3.39Å; L936-I965 HydrophobicContact CG-CD1 3.89Å; I939-I965 HydrophobicContact CD1-CG2 3.55Å; I956-I965 HydrophobicContact CB-CG2 4.28Å; I956-I965 HydrophobicContact CG2-CG2 4.28Å; S957-I965 CarbonylContact O-C 3.56Å; S957-I965 WeakPolarHBondContact O-CA 3.22Å; Q958-I965 HydrophobicContact CG-CG1 4.38Å
966	K	87.1	Confident	78	Confident	39 Å²	39	46.5 Å²	46.5	17%	0.17	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	136.5	172.4	-49.3	-178.7	-177.9	175.5	0	109.2	V920 K921 I956 S957 E959	V920-K966 HydrophobicContact CG1-CB 3.79Å; V920-K966 HydrophobicContact CG1-CD 4Å; V920-K966 HydrophobicContact CG1-CG 4.41Å; K921-K966 CarbonylContact O-C 3.49Å; K921-K966 WeakPolarHBondContact O-CA 3.41Å; I956-K966 CarbonylContact C-O 3.53Å; I956-K966 VanDerWaalsContact CA-O 3.27Å; I956-K966 WeakPolarHBondContact CA-O 3.23Å; S957-K966 PolarHBondContact N-O 3.23Å; S957-K966 PolarHBondContact O-N 3.45Å; E959-K966 WeakPolarHBondContact OE1-CE 3.28Å; E959-K966 IonicContact OE1-NZ 3.31Å; E959-K966 PolarHBondContact OE1-NZ 3.24Å
967	L	88.8	Confident	78.2	Confident	0 Å²	0	45 Å²	45	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	126.9	176.2	163.3	62.8	0	0	0	109.4	V920 K921 L935 E938 I939 L942 Y953 M969	V920-L967 CarbonylContact C-O 3.59Å; V920-L967 WeakPolarHBondContact CA-O 3.2Å; K921-L967 HydrophobicContact CB-CB 4.24Å; K921-L967 HydrophobicContact CD-CD2 4.43Å; K921-L967 PolarHBondContact N-O 3.26Å; K921-L967 PolarHBondContact O-N 3.32Å; L935-L967 HydrophobicContact CD1-CB 4.12Å; E938-L967 HydrophobicContact CG-CD2 4.19Å; I939-L967 HydrophobicContact CD1-CB 4.34Å; I939-L967 HydrophobicContact CG1-CB 3.89Å; I939-L967 HydrophobicContact CG1-CD1 3.91Å; I939-L967 HydrophobicContact CG1-CD2 4.48Å; I939-L967 HydrophobicContact CG1-CG 4.29Å; L942-L967 HydrophobicContact CD2-CD1 4.34Å; L942-L967 HydrophobicContact CD2-CD2 4.13Å; Y953-L967 HydrophobicContact CD2-CD1 3.57Å; Y953-L967 HydrophobicContact CE2-CD1 3.74Å; L967-M969 HydrophobicContact CD1-CG 4.15Å; L967-M969 HydrophobicContact CD2-CE 4.45Å; L967-M969 HydrophobicContact CD2-CG 4.24Å; L967-M969 HydrophobicContact CD2-SD 3.9Å; L967-M969 HydrophobicContact CG-CE 4.48Å; L967-M969 HydrophobicContact CG-CG 3.92Å; L967-M969 HydrophobicContact CG-SD 4.17Å
968	I	90.7	Very high	78.6	Confident	0 Å²	0	50.4 Å²	50.4	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	126.6	180	-43.6	-61.7	0	0	0	109.6	F883 L888 V918 V920 K954 G955	F883-I968 HydrophobicContact CB-CD1 4.44Å; F883-I968 HydrophobicContact CB-CG1 4.05Å; F883-I968 HydrophobicContact CD1-CG1 4.29Å; F883-I968 HydrophobicContact CD1-CG2 4.02Å; F883-I968 HydrophobicContact CD2-CB 4.18Å; F883-I968 HydrophobicContact CD2-CG1 3.84Å; F883-I968 HydrophobicContact CD2-CG2 4.28Å; F883-I968 HydrophobicContact CE1-CG2 3.83Å; F883-I968 HydrophobicContact CE2-CB 4.24Å; F883-I968 HydrophobicContact CE2-CG1 4.4Å; F883-I968 HydrophobicContact CE2-CG2 4.09Å; F883-I968 HydrophobicContact CG-CB 4.42Å; F883-I968 HydrophobicContact CG-CD1 4.49Å; F883-I968 HydrophobicContact CG-CG1 3.8Å; F883-I968 HydrophobicContact CG-CG2 4.28Å; F883-I968 HydrophobicContact CZ-CG2 3.86Å; L888-I968 HydrophobicContact CD1-CD1 3.91Å; L888-I968 HydrophobicContact CD2-CD1 4.48Å; V918-I968 HydrophobicContact CB-CG2 3.66Å; V918-I968 HydrophobicContact CG1-CG2 3.85Å; V918-I968 HydrophobicContact CG2-CG2 3.94Å; V920-I968 HydrophobicContact CB-CD1 4.27Å; V920-I968 HydrophobicContact CG1-CD1 3.88Å; V920-I968 HydrophobicContact CG2-CD1 3.73Å; K954-I968 HydrophobicContact CB-CB 4.36Å; K954-I968 HydrophobicContact CB-CG2 4.06Å; K954-I968 WeakPolarHBondContact CB-O 3.19Å; K954-I968 PolarHBondContact N-O 3.08Å; G955-I968 PolarHBondContact N-O 3.17Å; G955-I968 WeakPolarHBondContact O-CB 3.47Å; G955-I968 PolarHBondContact O-N 3.31Å
969	M	90.6	Very high	79	Confident	18 Å²	18	49.5 Å²	49.5	9%	0.089	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	164.6	-175.5	-62.5	172.2	-68.2	0	0	111.6	V902 A919 K921 L942 V951 K952 L967	V902-M969 HydrophobicContact CG1-CE 4.39Å; A919-M969 HydrophobicContact CB-CB 4.26Å; A919-M969 HydrophobicContact CB-CE 4.45Å; A919-M969 PolarHBondContact N-O 3.07Å; A919-M969 PolarHBondContact O-N 2.87Å; K921-M969 HydrophobicContact CB-CE 3.87Å; L942-M969 HydrophobicContact CD2-CG 3.92Å; L942-M969 HydrophobicContact CD2-SD 3.88Å; V951-M969 HydrophobicContact CG1-CB 4.08Å; V951-M969 HydrophobicContact CG1-CG 4.44Å; V951-M969 HydrophobicContact CG1-SD 4.33Å; K952-M969 WeakPolarHBondContact O-CA 3.46Å; L967-M969 HydrophobicContact CD1-CG 4.15Å; L967-M969 HydrophobicContact CD2-CE 4.45Å; L967-M969 HydrophobicContact CD2-CG 4.24Å; L967-M969 HydrophobicContact CD2-SD 3.9Å; L967-M969 HydrophobicContact CG-CE 4.48Å; L967-M969 HydrophobicContact CG-CG 3.92Å; L967-M969 HydrophobicContact CG-SD 4.17Å
970	E	88.9	Confident	80	Confident	21 Å²	21	46.4 Å²	46.4	10%	0.098	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.4	139.6	168.8	70.5	-179.3	152.7	0	0	111.8	V951 K952 L972 K1031	V951-E970 HydrophobicContact CG1-CG 4.09Å; K952-E970 HydrophobicContact CB-CB 4.3Å; K952-E970 HydrophobicContact CB-CG 3.98Å; K952-E970 WeakPolarHBondContact CB-OE1 3.32Å; K952-E970 WeakPolarHBondContact CD-OE2 3.33Å; K952-E970 VanDerWaalsContact CG-OE1 3.29Å; K952-E970 WeakPolarHBondContact CG-OE1 3.45Å; K952-E970 PolarHBondContact N-OE1 3.44Å; K952-E970 IonicContact NZ-OE2 2.81Å; K952-E970 PolarHBondContact O-N 3.4Å; K952-E970 VanDerWaalsContact O-N 3.07Å; E970-L972 HydrophobicContact CG-CD2 4.38Å; E970-L972 HydrophobicContact CG-CG 4.45Å; E970-K1031 WeakPolarHBondContact OE1-CD 3.4Å; E970-K1031 IonicContact OE1-NZ 3.47Å; E970-K1031 PolarHBondContact OE1-NZ 2.88Å; E970-K1031 IonicContact OE2-NZ 3.77Å; E970-K1031 PolarHBondContact OE2-NZ 2.85Å
971	Y	87.6	Confident	81.7	Confident	26 Å²	26	37 Å²	37	10%	0.102	21%	0.212	C	C	.	.			trans	-86.7	128	174.2	172.1	-125.8	0	0	0	110.3	R892 L894 L904 M917 P973	R892-Y971 PolarHBondContact NH2-OH 3.1Å; L894-Y971 HydrophobicContact CD1-CD2 3.76Å; L894-Y971 HydrophobicContact CD1-CE2 3.89Å; L894-Y971 HydrophobicContact CD2-CD2 4.39Å; L894-Y971 HydrophobicContact CD2-CE2 3.67Å; L894-Y971 HydrophobicContact CG-CE2 4.45Å; L904-Y971 HydrophobicContact CD1-CD1 3.68Å; L904-Y971 HydrophobicContact CD1-CD2 3.58Å; L904-Y971 HydrophobicContact CD1-CE1 3.95Å; L904-Y971 HydrophobicContact CD1-CE2 3.9Å; L904-Y971 HydrophobicContact CD1-CG 3.47Å; L904-Y971 VanDerWaalsContact CD1-CG 3.47Å; L904-Y971 HydrophobicContact CD2-CE1 4.06Å; L904-Y971 HydrophobicContact CD2-CE2 4.19Å; M917-Y971 HydrophobicContact CB-CD1 4.31Å; Y971-P973 HydrophobicContact CE1-CB 4.07Å
972	L	85.4	Confident	83.3	Confident	13 Å²	13	36.6 Å²	36.6	7%	0.068	20%	0.197	C	C	.	.			trans	-110.6	110.3	177.5	-63.5	175.3	0	0	0	109.9	V951 E970 L974 G975 L1023 E1025 K1031	V951-L972 HydrophobicContact CG2-CD1 4.13Å; E970-L972 HydrophobicContact CG-CD2 4.38Å; E970-L972 HydrophobicContact CG-CG 4.45Å; L972-L974 VanDerWaalsContact C-N 3.34Å; L972-L974 PolarHBondContact O-N 3.02Å; L972-G975 PolarHBondContact O-N 3.44Å; L972-L1023 HydrophobicContact CB-CB 4.35Å; L972-L1023 HydrophobicContact CD1-CB 3.39Å; L972-L1023 HydrophobicContact CD1-CD1 3.8Å; L972-L1023 HydrophobicContact CD1-CG 4.24Å; L972-L1023 HydrophobicContact CG-CB 4.49Å; L972-E1025 HydrophobicContact CD2-CB 3.89Å; L972-E1025 HydrophobicContact CD2-CG 3.96Å; L972-K1031 HydrophobicContact CD1-CB 4.2Å; L972-K1031 HydrophobicContact CD1-CD 4.24Å; L972-K1031 HydrophobicContact CD1-CG 4.42Å
973	P	74.3	Confident	84.5	Confident	16 Å²	16	39.2 Å²	39.2	10%	0.104	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-20.3	-165.2	27	-34.9	0	0	0	115	Y971 G975	Y971-P973 HydrophobicContact CE1-CB 4.07Å; P973-G975 VanDerWaalsContact C-N 3.35Å
974	L	80.1	Confident	85.6	Confident	12 Å²	12	30.9 Å²	30.9	6%	0.063	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.4	-4.9	-179.3	-63.4	175	0	0	0	113.5	L972 Y980 V1024	L972-L974 VanDerWaalsContact C-N 3.34Å; L972-L974 PolarHBondContact O-N 3.02Å; L974-Y980 HydrophobicContact CB-CD2 4.17Å; L974-Y980 HydrophobicContact CB-CE2 4.33Å; L974-Y980 HydrophobicContact CD1-CE2 4.17Å; L974-Y980 HydrophobicContact CD2-CE2 4.41Å; L974-V1024 HydrophobicContact CB-CB 3.79Å; L974-V1024 HydrophobicContact CB-CG1 4.02Å; L974-V1024 WeakPolarHBondContact CB-O 3.41Å; L974-V1024 HydrophobicContact CD1-CB 4.44Å; L974-V1024 HydrophobicContact CD1-CG1 3.74Å
975	G	86.4	Confident	86.3	Confident	21 Å²	21	33.4 Å²	33.4	22%	0.216	16%	0.161	C	C	.	.			trans	72.7	-159.1	175	0	0	0	0	0	113.7	L972 P973 L1023 V1024	L972-G975 PolarHBondContact O-N 3.44Å; P973-G975 VanDerWaalsContact C-N 3.35Å; G975-L1023 CarbonylContact O-C 3.55Å; G975-L1023 WeakPolarHBondContact O-CA 3.32Å; G975-V1024 PolarHBondContact O-N 3.35Å
976	S	91.7	Very high	86	Confident	11 Å²	11	36.9 Å²	36.9	8%	0.077	19%	0.187	C	C	.	.	B	Isolated β-bridge	trans	-82.1	155.5	-179.4	69.3	0	0	0	0	113.2	K978 E979 Y980 R1020 V1022	S976-K978 PolarHBondContact O-N 2.83Å; S976-E979 PolarHBondContact O-N 3.28Å; S976-E979 PolarHBondContact OG-N 3.12Å; S976-Y980 VanDerWaalsContact O-CB 3.27Å; S976-Y980 WeakPolarHBondContact O-CB 3.41Å; S976-Y980 PolarHBondContact O-N 3.37Å; S976-R1020 WeakPolarHBondContact CB-O 3.16Å; S976-V1022 CarbonylContact C-O 3.49Å; S976-V1022 VanDerWaalsContact CA-O 3.3Å; S976-V1022 WeakPolarHBondContact CA-O 3.32Å
977	L	93.3	Very high	85.2	Confident	0 Å²	0	37.1 Å²	37.1	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-57.3	-34.7	172.9	-80.6	179.2	0	0	0	111.7	E979 Y980 L981 Y996 I1000 A1019 V1022 V1024 V1030 I1087	L977-E979 VanDerWaalsContact C-N 3.25Å; L977-E979 PolarHBondContact O-N 2.8Å; L977-Y980 HydrophobicContact CD2-CD1 4.39Å; L977-Y980 PolarHBondContact O-N 2.73Å; L977-L981 HydrophobicContact CB-CD1 4.2Å; L977-L981 HydrophobicContact CB-CG 4.4Å; L977-L981 HydrophobicContact CD2-CD1 4.18Å; L977-L981 HydrophobicContact CD2-CD2 4.16Å; L977-L981 HydrophobicContact CD2-CG 3.95Å; L977-L981 WeakPolarHBondContact O-CB 3.4Å; L977-L981 WeakPolarHBondContact O-CG 3.49Å; L977-L981 PolarHBondContact O-N 2.8Å; L977-Y996 HydrophobicContact CD2-CD2 3.92Å; L977-Y996 HydrophobicContact CD2-CE2 3.98Å; L977-Y996 HydrophobicContact CD2-CG 4.38Å; L977-I1000 HydrophobicContact CD1-CD1 4.28Å; L977-A1019 HydrophobicContact CB-CB 4.36Å; L977-A1019 PolarHBondContact N-O 3.29Å; L977-V1022 HydrophobicContact CD1-CB 3.88Å; L977-V1022 HydrophobicContact CD1-CG1 3.48Å; L977-V1022 VanDerWaalsContact CD1-CG1 3.48Å; L977-V1022 HydrophobicContact CG-CB 4.28Å; L977-V1022 HydrophobicContact CG-CG1 4Å; L977-V1022 PolarHBondContact N-O 3.03Å; L977-V1024 HydrophobicContact CD2-CG2 3.63Å; L977-V1024 HydrophobicContact CG-CG2 4.06Å; L977-V1030 HydrophobicContact CD1-CG1 4.29Å; L977-V1030 HydrophobicContact CD2-CG1 4.08Å; L977-V1030 HydrophobicContact CG-CG1 4.29Å; L977-I1087 HydrophobicContact CD1-CD1 4.14Å; L977-I1087 HydrophobicContact CD1-CG1 4.24Å
978	K	92.1	Very high	84.9	Confident	114 Å²	114	37.4 Å²	37.4	50%	0.496	19%	0.191	S	C	.	.	H	α-helix	trans	-56.4	-38.1	174.8	-178.7	178.4	173.1	-170.1	0	112.7	S976 P982 A1019 R1020	S976-K978 PolarHBondContact O-N 2.83Å; K978-P982 VanDerWaalsContact O-CD 3.22Å; K978-P982 WeakPolarHBondContact O-CD 3.49Å; K978-P982 VanDerWaalsContact O-CG 3.29Å; K978-P982 WeakPolarHBondContact O-CG 3.34Å; K978-A1019 PolarHBondContact N-O 3.48Å; K978-R1020 HydrophobicContact CB-CB 4.19Å; K978-R1020 HydrophobicContact CD-CB 3.76Å
979	E	86.5	Confident	84.8	Confident	87 Å²	87	40.2 Å²	40.2	41%	0.407	21%	0.21	S	C	.	.	H	α-helix	trans	-89.4	-30.4	176.8	-69.8	179.9	-147.6	0	0	113.3	S976 L977 R983	S976-E979 PolarHBondContact O-N 3.28Å; S976-E979 PolarHBondContact OG-N 3.12Å; L977-E979 VanDerWaalsContact C-N 3.25Å; L977-E979 PolarHBondContact O-N 2.8Å; E979-R983 WeakPolarHBondContact O-CD 3.31Å; E979-R983 WeakPolarHBondContact O-CG 3.47Å; E979-R983 IonicContact OE2-NH1 2.81Å; E979-R983 IonicContact OE2-NH2 2.7Å
980	Y	88	Confident	84.6	Confident	12 Å²	12	41 Å²	41	5%	0.047	21%	0.214	C	C	.	.	H	α-helix	trans	-74.8	-52.7	-175.6	-178.2	-89.9	0	0	0	111.8	L974 S976 L977 R983 Y984 V1024	L974-Y980 HydrophobicContact CB-CD2 4.17Å; L974-Y980 HydrophobicContact CB-CE2 4.33Å; L974-Y980 HydrophobicContact CD1-CE2 4.17Å; L974-Y980 HydrophobicContact CD2-CE2 4.41Å; S976-Y980 VanDerWaalsContact O-CB 3.27Å; S976-Y980 WeakPolarHBondContact O-CB 3.41Å; S976-Y980 PolarHBondContact O-N 3.37Å; L977-Y980 HydrophobicContact CD2-CD1 4.39Å; L977-Y980 PolarHBondContact O-N 2.73Å; Y980-R983 PolarHBondContact O-N 3.19Å; Y980-Y984 HydrophobicContact CD1-CD2 4.11Å; Y980-Y984 AromaticContact CD2-CD2 3.56Å; Y980-Y984 HydrophobicContact CD2-CD2 3.56Å; Y980-Y984 AromaticContact CD2-CE2 3.61Å; Y980-Y984 HydrophobicContact CD2-CE2 3.61Å; Y980-Y984 HydrophobicContact CE1-CD2 4Å; Y980-Y984 HydrophobicContact CE1-CG 4.33Å; Y980-Y984 AromaticContact CE2-CD2 3.44Å; Y980-Y984 HydrophobicContact CE2-CD2 3.44Å; Y980-Y984 VanDerWaalsContact CE2-CD2 3.44Å; Y980-Y984 AromaticContact CE2-CE2 3.51Å; Y980-Y984 HydrophobicContact CE2-CE2 3.51Å; Y980-Y984 HydrophobicContact CE2-CG 4.22Å; Y980-Y984 AromaticContact CG-CD2 3.89Å; Y980-Y984 HydrophobicContact CG-CD2 3.89Å; Y980-Y984 HydrophobicContact CG-CE2 4.34Å; Y980-Y984 AromaticContact CZ-CD2 3.67Å; Y980-Y984 VanDerWaalsContact O-CD2 3.28Å; Y980-Y984 WeakPolarHBondContact O-CD2 3.23Å; Y980-Y984 PolarHBondContact O-N 3.48Å; Y980-Y984 VanDerWaalsContact O-N 3.12Å; Y980-V1024 HydrophobicContact CD1-CG2 4.16Å; Y980-V1024 HydrophobicContact CD2-CB 4.38Å; Y980-V1024 HydrophobicContact CD2-CG1 4.31Å; Y980-V1024 HydrophobicContact CD2-CG2 4.18Å; Y980-V1024 HydrophobicContact CE2-CG1 4.17Å; Y980-V1024 HydrophobicContact CG-CG2 3.84Å
981	L	91	Very high	84.6	Confident	0 Å²	0	40.3 Å²	40.3	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-61.1	-40.9	-171.9	-68.2	175	0	0	0	114.6	L977 R983 Y984 K985 T988 L993 Y996 I1087	L977-L981 HydrophobicContact CB-CD1 4.2Å; L977-L981 HydrophobicContact CB-CG 4.4Å; L977-L981 HydrophobicContact CD2-CD1 4.18Å; L977-L981 HydrophobicContact CD2-CD2 4.16Å; L977-L981 HydrophobicContact CD2-CG 3.95Å; L977-L981 WeakPolarHBondContact O-CB 3.4Å; L977-L981 WeakPolarHBondContact O-CG 3.49Å; L977-L981 PolarHBondContact O-N 2.8Å; L981-R983 PolarHBondContact O-N 3.49Å; L981-Y984 PolarHBondContact O-N 3.08Å; L981-K985 PolarHBondContact O-N 2.98Å; L981-K985 VanDerWaalsContact O-N 3.15Å; L981-T988 HydrophobicContact CD2-CG2 4.12Å; L981-L993 HydrophobicContact CD2-CD2 3.72Å; L981-Y996 HydrophobicContact CD2-CD2 4.26Å; L981-Y996 HydrophobicContact CD2-CE2 3.89Å; L981-I1087 HydrophobicContact CD1-CB 4.3Å; L981-I1087 HydrophobicContact CD1-CG1 4.21Å; L981-I1087 HydrophobicContact CD1-CG2 4.24Å
982	P	87.4	Confident	84.8	Confident	65 Å²	65	40.6 Å²	40.6	42%	0.422	22%	0.218	S	C	.	.	H	α-helix	trans	-62.3	-31.4	176.1	-21.6	31.6	0	0	0	112.9	K978 Y1090 C1091	K978-P982 VanDerWaalsContact O-CD 3.22Å; K978-P982 WeakPolarHBondContact O-CD 3.49Å; K978-P982 VanDerWaalsContact O-CG 3.29Å; K978-P982 WeakPolarHBondContact O-CG 3.34Å; P982-Y1090 WeakPolarHBondContact CD-O 3.5Å; P982-Y1090 VanDerWaalsContact CG-O 3.3Å; P982-Y1090 WeakPolarHBondContact CG-O 3.31Å; P982-C1091 HydrophobicContact CG-CB 4.06Å
983	R	80.9	Confident	85.2	Confident	106 Å²	106	40 Å²	40	40%	0.4	22%	0.215	S	C	.	.	H	α-helix	trans	-78.7	-34.9	-178.4	-65.5	177.1	-177.5	152.1	1.8	112.3	I584 E979 Y980 L981	I584-R983 HydrophobicContact CD1-CB 4.29Å; I584-R983 VanDerWaalsContact CD1-O 3.32Å; I584-R983 WeakPolarHBondContact CD1-O 3.46Å; E979-R983 WeakPolarHBondContact O-CD 3.31Å; E979-R983 WeakPolarHBondContact O-CG 3.47Å; E979-R983 IonicContact OE2-NH1 2.81Å; E979-R983 IonicContact OE2-NH2 2.7Å; Y980-R983 PolarHBondContact O-N 3.19Å; L981-R983 PolarHBondContact O-N 3.49Å
984	Y	80.1	Confident	86.2	Confident	13 Å²	13	39.4 Å²	39.4	5%	0.051	21%	0.21	C	C	.	.	S	Bend	trans	-109	22.6	-174.6	-62.6	-80.1	0	0	0	113.7	Y980 L981 S986 Q987 T988	Y980-Y984 HydrophobicContact CD1-CD2 4.11Å; Y980-Y984 AromaticContact CD2-CD2 3.56Å; Y980-Y984 HydrophobicContact CD2-CD2 3.56Å; Y980-Y984 AromaticContact CD2-CE2 3.61Å; Y980-Y984 HydrophobicContact CD2-CE2 3.61Å; Y980-Y984 HydrophobicContact CE1-CD2 4Å; Y980-Y984 HydrophobicContact CE1-CG 4.33Å; Y980-Y984 AromaticContact CE2-CD2 3.44Å; Y980-Y984 HydrophobicContact CE2-CD2 3.44Å; Y980-Y984 VanDerWaalsContact CE2-CD2 3.44Å; Y980-Y984 AromaticContact CE2-CE2 3.51Å; Y980-Y984 HydrophobicContact CE2-CE2 3.51Å; Y980-Y984 HydrophobicContact CE2-CG 4.22Å; Y980-Y984 AromaticContact CG-CD2 3.89Å; Y980-Y984 HydrophobicContact CG-CD2 3.89Å; Y980-Y984 HydrophobicContact CG-CE2 4.34Å; Y980-Y984 AromaticContact CZ-CD2 3.67Å; Y980-Y984 VanDerWaalsContact O-CD2 3.28Å; Y980-Y984 WeakPolarHBondContact O-CD2 3.23Å; Y980-Y984 PolarHBondContact O-N 3.48Å; Y980-Y984 VanDerWaalsContact O-N 3.12Å; L981-Y984 PolarHBondContact O-N 3.08Å; Y984-S986 VanDerWaalsContact C-N 3.31Å; Y984-S986 PolarHBondContact O-N 2.77Å; Y984-Q987 PolarHBondContact O-N 2.94Å; Y984-T988 WeakPolarHBondContact O-CB 3.26Å; Y984-T988 PolarHBondContact O-N 3.27Å; Y984-T988 PolarHBondContact O-OG1 2.9Å
985	K	82.1	Confident	86.9	Confident	106 Å²	106	40.3 Å²	40.3	46%	0.461	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.5	-40.9	-176	-179.2	171.3	-176.2	178.4	0	113.9	L981 Q987 Y1090	L981-K985 PolarHBondContact O-N 2.98Å; L981-K985 VanDerWaalsContact O-N 3.15Å; K985-Q987 VanDerWaalsContact C-N 3.3Å; K985-Q987 PolarHBondContact O-N 3.48Å; K985-Y1090 HydrophobicContact CB-CD1 3.93Å; K985-Y1090 HydrophobicContact CB-CE1 4.39Å; K985-Y1090 HydrophobicContact CB-CG 4.33Å; K985-Y1090 HydrophobicContact CD-CD1 4.45Å; K985-Y1090 HydrophobicContact CD-CD2 4.28Å; K985-Y1090 HydrophobicContact CD-CG 4.07Å; K985-Y1090 HydrophobicContact CG-CD1 3.66Å; K985-Y1090 HydrophobicContact CG-CD2 4.15Å; K985-Y1090 HydrophobicContact CG-CE1 3.92Å; K985-Y1090 HydrophobicContact CG-CE2 4.41Å; K985-Y1090 HydrophobicContact CG-CG 3.77Å
986	S	73.3	Confident	87.4	Confident	95 Å²	95	39.3 Å²	39.3	66%	0.664	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.5	-22.1	-179.8	53.7	0	0	0	0	114	Y984	Y984-S986 VanDerWaalsContact C-N 3.31Å; Y984-S986 PolarHBondContact O-N 2.77Å
987	Q	70.8	Confident	87.7	Confident	44 Å²	44	38.8 Å²	38.8	21%	0.206	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.4	-16.9	-176.8	-63.3	167	30.9	0	0	111.7	L582 Y984 K985 S989	L582-Q987 VanDerWaalsContact N-NE2 3.11Å; L582-Q987 PolarHBondContact O-NE2 2.69Å; Y984-Q987 PolarHBondContact O-N 2.94Å; K985-Q987 VanDerWaalsContact C-N 3.3Å; K985-Q987 PolarHBondContact O-N 3.48Å; Q987-S989 PolarHBondContact O-N 3.27Å
988	T	82.6	Confident	87.9	Confident	5 Å²	5	39 Å²	39	3%	0.031	21%	0.205	C	C	.	.			trans	-93.8	103	-175.3	-54.7	0	0	0	0	110.1	L981 Y984 T992 L993 Y996 Y1090	L981-T988 HydrophobicContact CD2-CG2 4.12Å; Y984-T988 WeakPolarHBondContact O-CB 3.26Å; Y984-T988 PolarHBondContact O-N 3.27Å; Y984-T988 PolarHBondContact O-OG1 2.9Å; T988-T992 HydrophobicContact CG2-CG2 3.97Å; T988-L993 HydrophobicContact CG2-CD2 3.46Å; T988-L993 VanDerWaalsContact CG2-CD2 3.46Å; T988-L993 HydrophobicContact CG2-CG 3.95Å; T988-Y996 HydrophobicContact CG2-CE2 4.18Å; T988-Y1090 HydrophobicContact CG2-CE1 4.34Å; T988-Y1090 PolarHBondContact O-OH 3.32Å; T988-Y1090 VanDerWaalsContact O-OH 3.11Å
989	S	87.4	Confident	88.1	Confident	59 Å²	59	34.2 Å²	34.2	41%	0.413	19%	0.185	S	C	.	.			trans	-67.8	159.9	175.2	77.8	0	0	0	0	112	Q987 G991 T992 L993	Q987-S989 PolarHBondContact O-N 3.27Å; S989-G991 PolarHBondContact O-N 3.43Å; S989-G991 PolarHBondContact OG-N 2.76Å; S989-T992 WeakPolarHBondContact O-CA 3.34Å; S989-T992 WeakPolarHBondContact O-CB 3.31Å; S989-T992 PolarHBondContact O-N 3.49Å; S989-T992 PolarHBondContact OG-N 3.49Å; S989-T992 VanDerWaalsContact OG-N 3.09Å; S989-T992 PolarHBondContact OG-OG1 2.9Å; S989-L993 PolarHBondContact O-N 3.44Å
990	L	87.4	Confident	88.7	Confident	34 Å²	34	30.1 Å²	30.1	18%	0.178	17%	0.165	C	C	.	.	H	α-helix	trans	-56.6	-35.4	169.5	175.6	66.8	0	0	0	111.6	T992 L993 L994 I1088 P1134	L990-T992 VanDerWaalsContact C-N 3.28Å; L990-T992 PolarHBondContact O-N 3.47Å; L990-L993 PolarHBondContact O-N 2.89Å; L990-L994 HydrophobicContact CD1-CG 4.33Å; L990-L994 HydrophobicContact CG-CD1 4.3Å; L990-L994 HydrophobicContact CG-CG 4.44Å; L990-L994 VanDerWaalsContact O-CG 3.31Å; L990-L994 WeakPolarHBondContact O-CG 3.24Å; L990-L994 PolarHBondContact O-N 2.84Å; L990-I1088 HydrophobicContact CD1-CD1 3.88Å; L990-P1134 HydrophobicContact CD1-CG 4.49Å; L990-P1134 HydrophobicContact CD2-CG 3.46Å; L990-P1134 VanDerWaalsContact CD2-CG 3.46Å
991	G	89.1	Confident	89.2	Confident	7 Å²	7	29.5 Å²	29.5	7%	0.072	16%	0.163	C	C	.	.	H	α-helix	trans	-60.1	-37.7	174.3	0	0	0	0	0	112.9	S989 S995 Q1166	S989-G991 PolarHBondContact O-N 3.43Å; S989-G991 PolarHBondContact OG-N 2.76Å; G991-S995 PolarHBondContact O-N 3.24Å; G991-Q1166 PolarHBondContact O-NE2 3.37Å
992	T	90.6	Very high	89.5	Confident	32 Å²	32	33 Å²	33	20%	0.196	18%	0.176	C	C	.	.	H	α-helix	trans	-69.9	-44.2	175	-49.5	0	0	0	0	111.2	T988 S989 L990 L994 S995 Y996	T988-T992 HydrophobicContact CG2-CG2 3.97Å; S989-T992 WeakPolarHBondContact O-CA 3.34Å; S989-T992 WeakPolarHBondContact O-CB 3.31Å; S989-T992 PolarHBondContact O-N 3.49Å; S989-T992 PolarHBondContact OG-N 3.49Å; S989-T992 VanDerWaalsContact OG-N 3.09Å; S989-T992 PolarHBondContact OG-OG1 2.9Å; L990-T992 VanDerWaalsContact C-N 3.28Å; L990-T992 PolarHBondContact O-N 3.47Å; T992-L994 VanDerWaalsContact C-N 3.33Å; T992-L994 PolarHBondContact O-N 2.91Å; T992-S995 WeakPolarHBondContact O-CA 3.2Å; T992-S995 WeakPolarHBondContact O-CB 3.18Å; T992-S995 PolarHBondContact O-N 3.08Å; T992-Y996 HydrophobicContact CG2-CE1 4.09Å; T992-Y996 HydrophobicContact CG2-CE2 3.87Å; T992-Y996 PolarHBondContact O-N 3.28Å
993	L	94.1	Very high	89.9	Confident	2 Å²	2	29.9 Å²	29.9	1%	0.01	16%	0.156	C	C	.	.	H	α-helix	trans	-58.4	-44.3	175.1	-62.9	-178.4	0	0	0	112	L981 T988 S989 L990 S995 Y996 C997 I1087 I1088 Y1090	L981-L993 HydrophobicContact CD2-CD2 3.72Å; T988-L993 HydrophobicContact CG2-CD2 3.46Å; T988-L993 VanDerWaalsContact CG2-CD2 3.46Å; T988-L993 HydrophobicContact CG2-CG 3.95Å; S989-L993 PolarHBondContact O-N 3.44Å; L990-L993 PolarHBondContact O-N 2.89Å; L993-S995 VanDerWaalsContact C-N 3.3Å; L993-S995 PolarHBondContact O-N 3.15Å; L993-Y996 HydrophobicContact CD2-CD2 4.47Å; L993-Y996 PolarHBondContact O-N 3.29Å; L993-C997 PolarHBondContact O-N 3.19Å; L993-C997 VanDerWaalsContact O-N 3.08Å; L993-C997 PolarHBondContact O-SG 3.26Å; L993-I1087 HydrophobicContact CB-CG2 3.94Å; L993-I1087 HydrophobicContact CD2-CG2 3.78Å; L993-I1087 HydrophobicContact CG-CG2 4.37Å; L993-I1088 HydrophobicContact CB-CD1 4.29Å; L993-I1088 HydrophobicContact CD1-CD1 4.17Å; L993-Y1090 HydrophobicContact CD1-CE1 3.95Å; L993-Y1090 HydrophobicContact CD1-CE2 3.96Å; L993-Y1090 HydrophobicContact CD2-CD1 4.35Å; L993-Y1090 HydrophobicContact CD2-CE1 4.11Å; L993-Y1090 HydrophobicContact CG-CE1 4.37Å
994	L	94.4	Very high	90.7	Very high	2 Å²	2	25 Å²	25	1%	0.01	14%	0.138	C	C	.	.	H	α-helix	trans	-64	-36.3	175.1	-67.3	176.5	0	0	0	111.6	L990 T992 C997 I998 V1137 L1162 L1165 Q1166	L990-L994 HydrophobicContact CD1-CG 4.33Å; L990-L994 HydrophobicContact CG-CD1 4.3Å; L990-L994 HydrophobicContact CG-CG 4.44Å; L990-L994 VanDerWaalsContact O-CG 3.31Å; L990-L994 WeakPolarHBondContact O-CG 3.24Å; L990-L994 PolarHBondContact O-N 2.84Å; T992-L994 VanDerWaalsContact C-N 3.33Å; T992-L994 PolarHBondContact O-N 2.91Å; L994-C997 WeakPolarHBondContact O-CB 3.2Å; L994-C997 PolarHBondContact O-N 3.44Å; L994-I998 WeakPolarHBondContact O-CD1 3.32Å; L994-I998 VanDerWaalsContact O-CG1 3.26Å; L994-I998 WeakPolarHBondContact O-CG1 3.49Å; L994-I998 PolarHBondContact O-N 2.77Å; L994-V1137 HydrophobicContact CD2-CG1 4.35Å; L994-V1137 HydrophobicContact CD2-CG2 4.07Å; L994-L1162 HydrophobicContact CD2-CD2 4.02Å; L994-L1165 HydrophobicContact CD1-CB 4.31Å; L994-Q1166 HydrophobicContact CB-CB 4.29Å; L994-Q1166 HydrophobicContact CB-CG 4.41Å; L994-Q1166 HydrophobicContact CD1-CB 4.36Å
995	S	94.9	Very high	91.5	Very high	31 Å²	31	27.3 Å²	27.3	22%	0.217	15%	0.151	C	C	.	.	H	α-helix	trans	-58.5	-46.7	173.1	-164.4	0	0	0	0	111.7	G991 T992 L993 C997 I998 Q999 Q1166	G991-S995 PolarHBondContact O-N 3.24Å; T992-S995 WeakPolarHBondContact O-CA 3.2Å; T992-S995 WeakPolarHBondContact O-CB 3.18Å; T992-S995 PolarHBondContact O-N 3.08Å; L993-S995 VanDerWaalsContact C-N 3.3Å; L993-S995 PolarHBondContact O-N 3.15Å; S995-C997 VanDerWaalsContact C-N 3.35Å; S995-C997 PolarHBondContact O-N 3.24Å; S995-I998 PolarHBondContact O-N 3.39Å; S995-Q999 WeakPolarHBondContact O-CG 3.14Å; S995-Q999 PolarHBondContact O-N 3.12Å; S995-Q999 PolarHBondContact OG-NE2 3.35Å; S995-Q1166 VanDerWaalsContact CB-NE2 3.29Å
996	Y	97	Very high	92.2	Very high	0 Å²	0	24 Å²	24	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-60.8	-44.2	176.4	-59.9	-31.6	0	0	0	111.6	L977 L981 T988 T992 L993 I998 Q999 I1000 E1027 V1030	L977-Y996 HydrophobicContact CD2-CD2 3.92Å; L977-Y996 HydrophobicContact CD2-CE2 3.98Å; L977-Y996 HydrophobicContact CD2-CG 4.38Å; L981-Y996 HydrophobicContact CD2-CD2 4.26Å; L981-Y996 HydrophobicContact CD2-CE2 3.89Å; T988-Y996 HydrophobicContact CG2-CE2 4.18Å; T992-Y996 HydrophobicContact CG2-CE1 4.09Å; T992-Y996 HydrophobicContact CG2-CE2 3.87Å; T992-Y996 PolarHBondContact O-N 3.28Å; L993-Y996 HydrophobicContact CD2-CD2 4.47Å; L993-Y996 PolarHBondContact O-N 3.29Å; Y996-I998 VanDerWaalsContact C-N 3.35Å; Y996-I998 PolarHBondContact O-N 3.07Å; Y996-Q999 PolarHBondContact O-N 2.88Å; Y996-I1000 WeakPolarHBondContact O-CD1 3.35Å; Y996-I1000 VanDerWaalsContact O-CG1 3.25Å; Y996-I1000 WeakPolarHBondContact O-CG1 3.22Å; Y996-I1000 PolarHBondContact O-N 3.04Å; Y996-E1027 VanDerWaalsContact CE1-O 3.27Å; Y996-E1027 WeakPolarHBondContact CE1-O 3.33Å; Y996-E1027 PolarHBondContact OH-O 2.94Å; Y996-V1030 HydrophobicContact CD1-CB 4.47Å; Y996-V1030 HydrophobicContact CD1-CG1 3.42Å; Y996-V1030 VanDerWaalsContact CD1-CG1 3.42Å; Y996-V1030 HydrophobicContact CD1-CG2 4.23Å; Y996-V1030 HydrophobicContact CE1-CG1 3.73Å; Y996-V1030 HydrophobicContact CG-CG1 4.01Å
997	C	97.9	Very high	93.2	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-58.5	-44.2	175.7	-67	0	0	0	0	112.3	L993 L994 S995 I1000 C1001 F1080 L1162	L993-C997 PolarHBondContact O-N 3.19Å; L993-C997 VanDerWaalsContact O-N 3.08Å; L993-C997 PolarHBondContact O-SG 3.26Å; L994-C997 WeakPolarHBondContact O-CB 3.2Å; L994-C997 PolarHBondContact O-N 3.44Å; S995-C997 VanDerWaalsContact C-N 3.35Å; S995-C997 PolarHBondContact O-N 3.24Å; C997-I1000 PolarHBondContact O-N 3.32Å; C997-C1001 PolarHBondContact O-N 3.25Å; C997-C1001 PolarHBondContact O-SG 2.94Å; C997-C1001 VanDerWaalsContact O-SG 3.35Å; C997-F1080 HydrophobicContact CB-CE2 4.49Å; C997-F1080 HydrophobicContact CB-CZ 4.06Å; C997-L1162 HydrophobicContact CB-CD1 3.97Å
998	I	97.8	Very high	94.2	Very high	6 Å²	6	18.1 Å²	18.1	3%	0.031	10%	0.102	C	C	.	.	H	α-helix	trans	-62.3	-44.8	177.4	-68.9	160.9	0	0	0	110.8	L994 S995 Y996 C1001 R1002 I1159 L1162 Q1166	L994-I998 WeakPolarHBondContact O-CD1 3.32Å; L994-I998 VanDerWaalsContact O-CG1 3.26Å; L994-I998 WeakPolarHBondContact O-CG1 3.49Å; L994-I998 PolarHBondContact O-N 2.77Å; S995-I998 PolarHBondContact O-N 3.39Å; Y996-I998 VanDerWaalsContact C-N 3.35Å; Y996-I998 PolarHBondContact O-N 3.07Å; I998-C1001 WeakPolarHBondContact O-CB 2.89Å; I998-C1001 PolarHBondContact O-N 3.46Å; I998-R1002 WeakPolarHBondContact O-CG 3.42Å; I998-R1002 PolarHBondContact O-N 2.86Å; I998-I1159 HydrophobicContact CG2-CG2 4.39Å; I998-L1162 HydrophobicContact CD1-CB 4.14Å; I998-L1162 HydrophobicContact CG1-CB 3.56Å; I998-L1162 HydrophobicContact CG1-CD1 4.43Å; I998-Q1166 HydrophobicContact CD1-CB 4.26Å; I998-Q1166 VanDerWaalsContact CD1-OE1 3.31Å
999	Q	97.4	Very high	94.7	Very high	13 Å²	13	21.7 Å²	21.7	6%	0.061	13%	0.127	C	C	.	.	H	α-helix	trans	-63.7	-42.4	179.1	-75.1	-179.2	56.3	0	0	112.6	N949 S995 Y996 C1001 R1002 G1003 G1028 M1029 V1030	N949-Q999 WeakPolarHBondContact CB-O 3.25Å; N949-Q999 WeakPolarHBondContact ND2-CB 3.43Å; N949-Q999 PolarHBondContact ND2-OE1 2.85Å; N949-Q999 PolarHBondContact OD1-O 2.94Å; S995-Q999 WeakPolarHBondContact O-CG 3.14Å; S995-Q999 PolarHBondContact O-N 3.12Å; S995-Q999 PolarHBondContact OG-NE2 3.35Å; Y996-Q999 PolarHBondContact O-N 2.88Å; Q999-C1001 VanDerWaalsContact C-N 3.34Å; Q999-C1001 PolarHBondContact O-N 2.7Å; Q999-R1002 PolarHBondContact O-N 3.02Å; Q999-G1003 PolarHBondContact O-N 3.46Å; Q999-G1028 PolarHBondContact NE2-O 2.87Å; Q999-M1029 VanDerWaalsContact OE1-CA 3.27Å; Q999-V1030 HydrophobicContact CB-CG2 3.64Å
1000	I	98.2	Very high	94.8	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-61.5	-44.9	173.4	-64.9	160.9	0	0	0	110	L977 Y996 C997 R1002 G1003 M1004 L1017 V1022 V1030 I1032 F1080 T1083 I1087	L977-I1000 HydrophobicContact CD1-CD1 4.28Å; Y996-I1000 WeakPolarHBondContact O-CD1 3.35Å; Y996-I1000 VanDerWaalsContact O-CG1 3.25Å; Y996-I1000 WeakPolarHBondContact O-CG1 3.22Å; Y996-I1000 PolarHBondContact O-N 3.04Å; C997-I1000 PolarHBondContact O-N 3.32Å; I1000-R1002 VanDerWaalsContact C-N 3.33Å; I1000-R1002 PolarHBondContact O-N 3.23Å; I1000-G1003 PolarHBondContact O-N 3.06Å; I1000-M1004 HydrophobicContact CG2-CG 4.29Å; I1000-M1004 WeakPolarHBondContact O-CB 3.44Å; I1000-M1004 WeakPolarHBondContact O-CG 3.43Å; I1000-M1004 PolarHBondContact O-N 3.45Å; I1000-L1017 HydrophobicContact CG2-CD1 3.92Å; I1000-L1017 HydrophobicContact CG2-CD2 4.21Å; I1000-V1022 HydrophobicContact CD1-CG1 4.03Å; I1000-V1022 HydrophobicContact CD1-CG2 3.99Å; I1000-V1022 HydrophobicContact CG1-CG1 3.94Å; I1000-V1022 HydrophobicContact CG1-CG2 4.09Å; I1000-V1030 HydrophobicContact CG1-CG2 4.27Å; I1000-I1032 HydrophobicContact CG2-CD1 4.23Å; I1000-F1080 HydrophobicContact CB-CD2 4.44Å; I1000-F1080 HydrophobicContact CB-CE2 4.05Å; I1000-F1080 HydrophobicContact CG2-CD2 3.72Å; I1000-F1080 HydrophobicContact CG2-CE2 3.84Å; I1000-T1083 HydrophobicContact CD1-CG2 4.37Å; I1000-I1087 HydrophobicContact CD1-CD1 3.46Å; I1000-I1087 VanDerWaalsContact CD1-CD1 3.46Å
1001	C	98.2	Very high	94.9	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-59.9	-40.6	175.6	-72.2	0	0	0	0	112.7	C997 I998 Q999 M1004 D1005 F1080 F1155 I1159	C997-C1001 PolarHBondContact O-N 3.25Å; C997-C1001 PolarHBondContact O-SG 2.94Å; C997-C1001 VanDerWaalsContact O-SG 3.35Å; I998-C1001 WeakPolarHBondContact O-CB 2.89Å; I998-C1001 PolarHBondContact O-N 3.46Å; Q999-C1001 VanDerWaalsContact C-N 3.34Å; Q999-C1001 PolarHBondContact O-N 2.7Å; C1001-M1004 PolarHBondContact O-N 3.38Å; C1001-D1005 VanDerWaalsContact O-CB 3.29Å; C1001-D1005 WeakPolarHBondContact O-CB 3.35Å; C1001-D1005 PolarHBondContact O-N 2.97Å; C1001-F1080 WeakPolarHBondContact SG-CE1 3.28Å; C1001-F1080 WeakPolarHBondContact SG-CZ 3.47Å; C1001-F1155 HydrophobicContact CB-CD1 4.08Å; C1001-I1159 HydrophobicContact CB-CD1 4.18Å; C1001-I1159 HydrophobicContact CB-CG1 3.47Å; C1001-I1159 VanDerWaalsContact CB-CG1 3.47Å
1002	R	97.6	Very high	95.1	Very high	73 Å²	73	27.9 Å²	27.9	28%	0.275	14%	0.143	S	C	.	.	H	α-helix	trans	-61.4	-46.6	176.4	-73.1	174.6	-179.6	-178.1	-1	111.7	S571 I998 Q999 I1000 M1004 D1005 Y1006 I1159	S571-R1002 PolarHBondContact OG-NH2 3.05Å; I998-R1002 WeakPolarHBondContact O-CG 3.42Å; I998-R1002 PolarHBondContact O-N 2.86Å; Q999-R1002 PolarHBondContact O-N 3.02Å; I1000-R1002 VanDerWaalsContact C-N 3.33Å; I1000-R1002 PolarHBondContact O-N 3.23Å; R1002-M1004 VanDerWaalsContact C-N 3.35Å; R1002-M1004 PolarHBondContact O-N 2.91Å; R1002-D1005 PolarHBondContact O-N 3.46Å; R1002-Y1006 PolarHBondContact O-N 2.73Å; R1002-I1159 HydrophobicContact CB-CD1 4.48Å; R1002-I1159 HydrophobicContact CG-CD1 3.84Å; R1002-I1159 HydrophobicContact CG-CG1 4.25Å
1003	G	96.8	Very high	95.1	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-61.1	-41.3	175.7	0	0	0	0	0	113	Q999 I1000 L1007	Q999-G1003 PolarHBondContact O-N 3.46Å; I1000-G1003 PolarHBondContact O-N 3.06Å; G1003-L1007 WeakPolarHBondContact O-CB 3.5Å; G1003-L1007 PolarHBondContact O-N 3.19Å
1004	M	97.8	Very high	95.1	Very high	3 Å²	3	26.2 Å²	26.2	2%	0.015	13%	0.133	C	C	.	.	H	α-helix	trans	-74.9	-32.8	179	-68.4	-58.8	-59.4	0	0	113.8	I1000 C1001 R1002 L1007 G1008 H1014 L1017 I1032 D1076 F1155	I1000-M1004 HydrophobicContact CG2-CG 4.29Å; I1000-M1004 WeakPolarHBondContact O-CB 3.44Å; I1000-M1004 WeakPolarHBondContact O-CG 3.43Å; I1000-M1004 PolarHBondContact O-N 3.45Å; C1001-M1004 PolarHBondContact O-N 3.38Å; R1002-M1004 VanDerWaalsContact C-N 3.35Å; R1002-M1004 PolarHBondContact O-N 2.91Å; M1004-L1007 HydrophobicContact CE-CD2 4.11Å; M1004-L1007 PolarHBondContact O-N 3.12Å; M1004-L1007 HydrophobicContact SD-CD2 4.06Å; M1004-G1008 PolarHBondContact O-N 3.06Å; M1004-H1014 HydrophobicContact CE-CB 3.78Å; M1004-H1014 HydrophobicContact SD-CB 4.24Å; M1004-L1017 HydrophobicContact CE-CD2 4.12Å; M1004-L1017 HydrophobicContact CG-CD1 4.25Å; M1004-L1017 HydrophobicContact CG-CD2 3.75Å; M1004-L1017 HydrophobicContact SD-CD1 3.97Å; M1004-L1017 HydrophobicContact SD-CD2 3.99Å; M1004-L1017 HydrophobicContact SD-CG 4.47Å; M1004-I1032 HydrophobicContact CG-CD1 3.74Å; M1004-I1032 HydrophobicContact SD-CD1 3.85Å; M1004-D1076 HydrophobicContact CE-CB 3.61Å; M1004-D1076 WeakPolarHBondContact CE-OD2 3.43Å; M1004-F1155 HydrophobicContact CB-CD1 3.84Å; M1004-F1155 HydrophobicContact CB-CD2 3.77Å; M1004-F1155 HydrophobicContact CB-CE1 3.64Å; M1004-F1155 HydrophobicContact CB-CE2 3.58Å; M1004-F1155 HydrophobicContact CB-CG 3.91Å; M1004-F1155 HydrophobicContact CB-CZ 3.51Å; M1004-F1155 HydrophobicContact CE-CE2 4.07Å; M1004-F1155 HydrophobicContact CE-CZ 4.08Å; M1004-F1155 HydrophobicContact CG-CE1 4.04Å; M1004-F1155 HydrophobicContact CG-CE2 4.32Å; M1004-F1155 HydrophobicContact CG-CZ 3.85Å
1005	D	97.3	Very high	94.9	Very high	62 Å²	62	26.6 Å²	26.6	33%	0.332	13%	0.134	S	C	.	.	H	α-helix	trans	-64.6	-43.5	171.9	-164.2	64.3	0	0	0	110.4	C1001 R1002 G1008 S1009 F1155 K1156 I1159	C1001-D1005 VanDerWaalsContact O-CB 3.29Å; C1001-D1005 WeakPolarHBondContact O-CB 3.35Å; C1001-D1005 PolarHBondContact O-N 2.97Å; R1002-D1005 PolarHBondContact O-N 3.46Å; D1005-G1008 PolarHBondContact O-N 3.05Å; D1005-S1009 PolarHBondContact O-N 3.14Å; D1005-F1155 HydrophobicContact CB-CB 3.94Å; D1005-K1156 PolarHBondContact OD1-N 3.31Å; D1005-I1159 HydrophobicContact CB-CD1 4.2Å
1006	Y	96.8	Very high	94.8	Very high	36 Å²	36	25.3 Å²	25.3	14%	0.141	13%	0.125	C	C	.	.	H	α-helix	trans	-58.9	-49.2	171.4	172.2	-98.1	0	0	0	111.7	L945 Y946 H947 I950 R1002 G1008 S1009 R1010	L945-Y1006 HydrophobicContact CB-CE1 4.44Å; L945-Y1006 HydrophobicContact CD2-CE1 3.88Å; Y946-Y1006 PolarHBondContact N-OH 3.07Å; H947-Y1006 HydrophobicContact CB-CD1 3.65Å; H947-Y1006 HydrophobicContact CB-CE1 3.91Å; H947-Y1006 HydrophobicContact CB-CG 4.01Å; H947-Y1006 AromaticContact CD2-CG 3.7Å; H947-Y1006 AromaticContact CG-CG 3.96Å; I950-Y1006 HydrophobicContact CD1-CD1 3.65Å; I950-Y1006 HydrophobicContact CD1-CE1 4.04Å; R1002-Y1006 PolarHBondContact O-N 2.73Å; Y1006-G1008 VanDerWaalsContact C-N 3.31Å; Y1006-G1008 PolarHBondContact O-N 3.13Å; Y1006-S1009 WeakPolarHBondContact O-CB 3.49Å; Y1006-S1009 PolarHBondContact O-N 3.4Å; Y1006-S1009 VanDerWaalsContact O-N 3.15Å; Y1006-S1009 PolarHBondContact O-OG 3.5Å; Y1006-R1010 HydrophobicContact CE1-CG 4.19Å; Y1006-R1010 HydrophobicContact CE2-CG 4.16Å; Y1006-R1010 PolarHBondContact O-N 3.41Å; Y1006-R1010 VanDerWaalsContact O-N 3.16Å; Y1006-R1010 PolarHBondContact OH-NE 2.71Å; Y1006-R1010 PolarHBondContact OH-NH2 3.38Å
1007	L	94.1	Very high	94.7	Very high	1 Å²	1	25.3 Å²	25.3	1%	0.005	13%	0.125	C	C	.	.	H	α-helix	trans	-58.8	-43	178.7	-168.6	66.7	0	0	0	111.8	L945 G1003 M1004 R1010 N1011 Y1012 H1014 F1035	L945-L1007 HydrophobicContact CD1-CD1 3.59Å; L945-L1007 HydrophobicContact CD2-CD1 3.75Å; L945-L1007 HydrophobicContact CG-CD1 4.34Å; G1003-L1007 WeakPolarHBondContact O-CB 3.5Å; G1003-L1007 PolarHBondContact O-N 3.19Å; M1004-L1007 HydrophobicContact CE-CD2 4.11Å; M1004-L1007 PolarHBondContact O-N 3.12Å; M1004-L1007 HydrophobicContact SD-CD2 4.06Å; L1007-R1010 PolarHBondContact O-N 3.17Å; L1007-N1011 PolarHBondContact O-N 3.34Å; L1007-Y1012 HydrophobicContact CD1-CD2 4.25Å; L1007-Y1012 HydrophobicContact CD1-CG 4.24Å; L1007-Y1012 PolarHBondContact O-N 2.8Å; L1007-Y1012 VanDerWaalsContact O-N 3.13Å; L1007-H1014 HydrophobicContact CD2-CB 3.72Å; L1007-F1035 HydrophobicContact CD1-CE1 4.03Å; L1007-F1035 HydrophobicContact CD2-CE1 4.29Å
1008	G	91.8	Very high	94.6	Very high	15 Å²	15	25.3 Å²	25.3	16%	0.155	13%	0.125	C	C	.	.	H	α-helix	trans	-64.6	-38.8	175.6	0	0	0	0	0	113.3	M1004 D1005 Y1006 R1010 N1011	M1004-G1008 PolarHBondContact O-N 3.06Å; D1005-G1008 PolarHBondContact O-N 3.05Å; Y1006-G1008 VanDerWaalsContact C-N 3.31Å; Y1006-G1008 PolarHBondContact O-N 3.13Å; G1008-R1010 PolarHBondContact O-N 2.98Å; G1008-N1011 WeakPolarHBondContact O-CA 3.27Å; G1008-N1011 PolarHBondContact O-N 3.42Å
1009	S	91.8	Very high	94.4	Very high	79 Å²	79	25 Å²	25	55%	0.552	12%	0.123	S	C	*	.	H	α-helix	trans	-62.3	-28.8	174.9	81	0	0	0	0	112.7	D1005 Y1006 N1011	D1005-S1009 PolarHBondContact O-N 3.14Å; Y1006-S1009 WeakPolarHBondContact O-CB 3.49Å; Y1006-S1009 PolarHBondContact O-N 3.4Å; Y1006-S1009 VanDerWaalsContact O-N 3.15Å; Y1006-S1009 PolarHBondContact O-OG 3.5Å; S1009-N1011 PolarHBondContact O-N 2.71Å
1010	R	90.6	Very high	94.2	Very high	127 Å²	127	28 Å²	28	48%	0.479	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.1	4.5	174	-64.8	-61.6	-157.8	162.8	6.3	113.4	L945 Y1006 L1007 G1008 Y1012	L945-R1010 HydrophobicContact CD2-CG 4.45Å; Y1006-R1010 HydrophobicContact CE1-CG 4.19Å; Y1006-R1010 HydrophobicContact CE2-CG 4.16Å; Y1006-R1010 PolarHBondContact O-N 3.41Å; Y1006-R1010 VanDerWaalsContact O-N 3.16Å; Y1006-R1010 PolarHBondContact OH-NE 2.71Å; Y1006-R1010 PolarHBondContact OH-NH2 3.38Å; L1007-R1010 PolarHBondContact O-N 3.17Å; G1008-R1010 PolarHBondContact O-N 2.98Å; R1010-Y1012 HydrophobicContact CB-CD2 3.61Å; R1010-Y1012 HydrophobicContact CB-CE2 3.94Å; R1010-Y1012 WeakPolarHBondContact O-CD2 3.3Å
1011	N	89.7	Confident	94	Very high	78 Å²	78	28.7 Å²	28.7	42%	0.417	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.4	38.5	-177.4	-66.6	-67	0	0	0	113.6	L1007 G1008 S1009 L1041	L1007-N1011 PolarHBondContact O-N 3.34Å; G1008-N1011 WeakPolarHBondContact O-CA 3.27Å; G1008-N1011 PolarHBondContact O-N 3.42Å; S1009-N1011 PolarHBondContact O-N 2.71Å; N1011-L1041 HydrophobicContact CB-CB 4.26Å; N1011-L1041 PolarHBondContact O-N 3.1Å
1012	Y	91.7	Very high	93.9	Very high	25 Å²	25	28.7 Å²	28.7	10%	0.098	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	142.2	171	-68.4	-73.8	0	0	0	111.1	I941 L945 L1007 R1010 T1038 K1039 L1073	I941-Y1012 HydrophobicContact CD1-CE1 4.44Å; I941-Y1012 HydrophobicContact CG1-CD1 4.33Å; I941-Y1012 HydrophobicContact CG1-CE1 3.81Å; I941-Y1012 HydrophobicContact CG2-CD1 4.31Å; I941-Y1012 HydrophobicContact CG2-CE1 4.26Å; L945-Y1012 HydrophobicContact CD2-CD2 4.01Å; L945-Y1012 HydrophobicContact CD2-CE2 4.15Å; L1007-Y1012 HydrophobicContact CD1-CD2 4.25Å; L1007-Y1012 HydrophobicContact CD1-CG 4.24Å; L1007-Y1012 PolarHBondContact O-N 2.8Å; L1007-Y1012 VanDerWaalsContact O-N 3.13Å; R1010-Y1012 HydrophobicContact CB-CD2 3.61Å; R1010-Y1012 HydrophobicContact CB-CE2 3.94Å; R1010-Y1012 WeakPolarHBondContact O-CD2 3.3Å; Y1012-T1038 HydrophobicContact CD1-CG2 4.11Å; Y1012-T1038 HydrophobicContact CG-CG2 4.34Å; Y1012-K1039 WeakPolarHBondContact CA-O 3.49Å; Y1012-L1073 VanDerWaalsContact O-CD2 3.28Å; Y1012-L1073 WeakPolarHBondContact O-CD2 3.29Å
1013	I	91.4	Very high	93.8	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	125	168.9	-54.6	169	0	0	0	107.5	R1015 T1038 K1039 L1041 F1071 L1073 D1076	I1013-R1015 HydrophobicContact CB-CG 4.27Å; I1013-R1015 HydrophobicContact CG2-CG 3.62Å; I1013-T1038 CarbonylContact O-C 3.57Å; I1013-T1038 VanDerWaalsContact O-CA 3.22Å; I1013-T1038 WeakPolarHBondContact O-CA 3.21Å; I1013-T1038 WeakPolarHBondContact O-CG2 3.34Å; I1013-K1039 PolarHBondContact N-O 2.85Å; I1013-K1039 PolarHBondContact O-N 3.12Å; I1013-L1041 HydrophobicContact CD1-CD1 3.76Å; I1013-L1041 HydrophobicContact CD1-CD2 3.57Å; I1013-L1041 HydrophobicContact CD1-CG 3.76Å; I1013-L1041 HydrophobicContact CG1-CD1 3.76Å; I1013-L1041 HydrophobicContact CG1-CD2 4.31Å; I1013-L1041 HydrophobicContact CG1-CG 3.93Å; I1013-F1071 HydrophobicContact CD1-CB 4.13Å; I1013-F1071 WeakPolarHBondContact CD1-O 3.5Å; I1013-F1071 HydrophobicContact CG2-CB 4.36Å; I1013-L1073 HydrophobicContact CG1-CD2 3.99Å; I1013-D1076 WeakPolarHBondContact CA-OD2 3.29Å; I1013-D1076 VanDerWaalsContact CG2-OD2 3.23Å; I1013-D1076 WeakPolarHBondContact CG2-OD2 3.17Å
1014	H	93.3	Very high	93.4	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	14%	0.136	C	C	.	.			trans	-70.9	-45.5	-176.5	-169	-50.1	0	0	0	112.6	M1004 L1007 D1016 I1032 G1033 D1034 L1037 T1038 D1076	M1004-H1014 HydrophobicContact CE-CB 3.78Å; M1004-H1014 HydrophobicContact SD-CB 4.24Å; L1007-H1014 HydrophobicContact CD2-CB 3.72Å; H1014-D1016 PolarHBondContact CE1-O 3.27Å; H1014-D1016 PolarHBondContact ND1-N 3.24Å; H1014-D1016 VanDerWaalsContact ND1-N 3.19Å; H1014-D1016 PolarHBondContact O-N 2.94Å; H1014-D1016 VanDerWaalsContact O-N 3.08Å; H1014-I1032 WeakPolarHBondContact NE2-CG2 3.42Å; H1014-G1033 PolarHBondContact NE2-O 2.85Å; H1014-D1034 PolarHBondContact CE1-O 3.42Å; H1014-L1037 CarbonylContact O-C 3.56Å; H1014-T1038 PolarHBondContact O-N 2.8Å; H1014-T1038 PolarHBondContact O-OG1 3.32Å; H1014-D1076 PolarHBondContact N-OD2 3.27Å
1015	R	91.9	Very high	92.6	Very high	9 Å²	9	29.5 Å²	29.5	3%	0.034	15%	0.146	C	C	.	.	S	Bend	trans	63.5	3	-179.2	-54	178.7	44	-131.5	-5.5	116.3	I1013 L1037 Y1061 F1071 D1076	I1013-R1015 HydrophobicContact CB-CG 4.27Å; I1013-R1015 HydrophobicContact CG2-CG 3.62Å; R1015-L1037 HydrophobicContact CB-CB 4.1Å; R1015-L1037 VanDerWaalsContact CD-O 3.31Å; R1015-L1037 WeakPolarHBondContact CD-O 3.37Å; R1015-L1037 PolarHBondContact NH1-O 2.84Å; R1015-Y1061 WeakPolarHBondContact O-CE1 3.42Å; R1015-F1071 HydrophobicContact CB-CD1 4.2Å; R1015-F1071 HydrophobicContact CB-CE1 4.22Å; R1015-F1071 HydrophobicContact CG-CB 4.41Å; R1015-F1071 HydrophobicContact CG-CD1 3.6Å; R1015-F1071 HydrophobicContact CG-CE1 4.09Å; R1015-F1071 HydrophobicContact CG-CG 4.11Å; R1015-D1076 PolarHBondContact N-OD1 3.08Å
1016	D	91.8	Very high	91.6	Very high	5 Å²	5	31.1 Å²	31.1	3%	0.027	15%	0.15	C	C	.	.			trans	-146.9	43.9	175.4	-162	14.5	0	0	0	112.7	H1014 A1018 R1020 N1021 L1037 P1057	H1014-D1016 PolarHBondContact CE1-O 3.27Å; H1014-D1016 PolarHBondContact ND1-N 3.24Å; H1014-D1016 VanDerWaalsContact ND1-N 3.19Å; H1014-D1016 PolarHBondContact O-N 2.94Å; H1014-D1016 VanDerWaalsContact O-N 3.08Å; D1016-A1018 PolarHBondContact O-N 3.14Å; D1016-R1020 IonicContact OD1-CZ 3.75Å; D1016-R1020 IonicContact OD1-NH1 3.66Å; D1016-R1020 IonicContact OD1-NH2 2.7Å; D1016-R1020 PolarHBondContact OD1-NH2 3.23Å; D1016-R1020 IonicContact OD2-CZ 2.77Å; D1016-R1020 IonicContact OD2-NH2 2.68Å; D1016-R1020 PolarHBondContact OD2-NH2 3.11Å; D1016-N1021 PolarHBondContact O-ND2 3.19Å; D1016-N1021 PolarHBondContact OD2-ND2 3.12Å; D1016-L1037 HydrophobicContact CB-CB 4.41Å; D1016-L1037 HydrophobicContact CB-CD1 3.97Å; D1016-P1057 VanDerWaalsContact OD1-CG 3.24Å; D1016-P1057 WeakPolarHBondContact OD1-CG 3.42Å
1017	L	96.1	Very high	90.5	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	16%	0.163	C	C	.	.			trans	-77.6	110.9	176	-174.2	65.8	0	0	0	110	I1000 M1004 V1022 I1032 F1080 T1083 F1155	I1000-L1017 HydrophobicContact CG2-CD1 3.92Å; I1000-L1017 HydrophobicContact CG2-CD2 4.21Å; M1004-L1017 HydrophobicContact CE-CD2 4.12Å; M1004-L1017 HydrophobicContact CG-CD1 4.25Å; M1004-L1017 HydrophobicContact CG-CD2 3.75Å; M1004-L1017 HydrophobicContact SD-CD1 3.97Å; M1004-L1017 HydrophobicContact SD-CD2 3.99Å; M1004-L1017 HydrophobicContact SD-CG 4.47Å; L1017-V1022 HydrophobicContact CD1-CG2 4.48Å; L1017-I1032 HydrophobicContact CD1-CG2 4.26Å; L1017-F1080 HydrophobicContact CD2-CB 3.71Å; L1017-F1080 HydrophobicContact CD2-CD2 4.24Å; L1017-F1080 HydrophobicContact CD2-CG 4.48Å; L1017-T1083 PolarHBondContact O-OG1 3.15Å; L1017-T1083 VanDerWaalsContact O-OG1 3.04Å; L1017-F1155 HydrophobicContact CD2-CZ 4.27Å
1018	A	94.9	Very high	89.7	Confident	0 Å²	0	35.8 Å²	35.8	0%	0	19%	0.186	C	C	.	.	S	Bend	trans	-152.7	160.3	178.2	0	0	0	0	0	110.7	D1016 R1020 N1021 V1022 W1060 T1083	D1016-A1018 PolarHBondContact O-N 3.14Å; A1018-R1020 HydrophobicContact CB-CG 4.11Å; A1018-R1020 PolarHBondContact O-N 3.42Å; A1018-R1020 VanDerWaalsContact O-N 3.08Å; A1018-N1021 PolarHBondContact O-N 2.9Å; A1018-V1022 PolarHBondContact O-N 2.69Å; A1018-W1060 HydrophobicContact CB-CD2 4.41Å; A1018-W1060 HydrophobicContact CB-CG 4.33Å; A1018-T1083 WeakPolarHBondContact CA-OG1 3.43Å
1019	A	94.6	Very high	89.5	Confident	0 Å²	0	37 Å²	37	0%	0	19%	0.187	C	C	.	.	G	3₁₀ helix	trans	-61.3	-23.2	-177.5	0	0	0	0	0	114	L977 K978 N1021 V1022 T1083 E1086	L977-A1019 HydrophobicContact CB-CB 4.36Å; L977-A1019 PolarHBondContact N-O 3.29Å; K978-A1019 PolarHBondContact N-O 3.48Å; A1019-N1021 VanDerWaalsContact C-N 3.29Å; A1019-N1021 PolarHBondContact O-N 2.71Å; A1019-V1022 PolarHBondContact O-N 2.84Å; A1019-T1083 HydrophobicContact CB-CG2 4.49Å; A1019-E1086 HydrophobicContact CB-CB 3.91Å; A1019-E1086 HydrophobicContact CB-CG 4.46Å; A1019-E1086 PolarHBondContact N-OE2 3.47Å
1020	R	92.6	Very high	89.6	Confident	75 Å²	75	33.2 Å²	33.2	28%	0.283	16%	0.161	S	C	.	.	G	3₁₀ helix	trans	-68.5	-25.8	173.2	66.7	178.4	-170.6	-75.5	-4.4	113.9	S976 K978 D1016 A1018	S976-R1020 WeakPolarHBondContact CB-O 3.16Å; K978-R1020 HydrophobicContact CB-CB 4.19Å; K978-R1020 HydrophobicContact CD-CB 3.76Å; D1016-R1020 IonicContact OD1-CZ 3.75Å; D1016-R1020 IonicContact OD1-NH1 3.66Å; D1016-R1020 IonicContact OD1-NH2 2.7Å; D1016-R1020 PolarHBondContact OD1-NH2 3.23Å; D1016-R1020 IonicContact OD2-CZ 2.77Å; D1016-R1020 IonicContact OD2-NH2 2.68Å; D1016-R1020 PolarHBondContact OD2-NH2 3.11Å; A1018-R1020 HydrophobicContact CB-CG 4.11Å; A1018-R1020 PolarHBondContact O-N 3.42Å; A1018-R1020 VanDerWaalsContact O-N 3.08Å
1021	N	94.1	Very high	89.9	Confident	15 Å²	15	27.3 Å²	27.3	8%	0.08	14%	0.139	C	C	.	.	G	3₁₀ helix	trans	-100.2	5.9	-178.6	-66.7	-15.5	0	0	0	112.1	D1016 A1018 A1019 G1033 D1034	D1016-N1021 PolarHBondContact O-ND2 3.19Å; D1016-N1021 PolarHBondContact OD2-ND2 3.12Å; A1018-N1021 PolarHBondContact O-N 2.9Å; A1019-N1021 VanDerWaalsContact C-N 3.29Å; A1019-N1021 PolarHBondContact O-N 2.71Å; N1021-G1033 PolarHBondContact O-N 3.47Å; N1021-D1034 HydrophobicContact CB-CB 4.35Å
1022	V	96.4	Very high	90.2	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	113	173.3	-177.9	0	0	0	0	108.4	S976 L977 I1000 L1017 A1018 A1019 V1030 K1031	S976-V1022 CarbonylContact C-O 3.49Å; S976-V1022 VanDerWaalsContact CA-O 3.3Å; S976-V1022 WeakPolarHBondContact CA-O 3.32Å; L977-V1022 HydrophobicContact CD1-CB 3.88Å; L977-V1022 HydrophobicContact CD1-CG1 3.48Å; L977-V1022 VanDerWaalsContact CD1-CG1 3.48Å; L977-V1022 HydrophobicContact CG-CB 4.28Å; L977-V1022 HydrophobicContact CG-CG1 4Å; L977-V1022 PolarHBondContact N-O 3.03Å; I1000-V1022 HydrophobicContact CD1-CG1 4.03Å; I1000-V1022 HydrophobicContact CD1-CG2 3.99Å; I1000-V1022 HydrophobicContact CG1-CG1 3.94Å; I1000-V1022 HydrophobicContact CG1-CG2 4.09Å; L1017-V1022 HydrophobicContact CD1-CG2 4.48Å; A1018-V1022 PolarHBondContact O-N 2.69Å; A1019-V1022 PolarHBondContact O-N 2.84Å; V1022-V1030 HydrophobicContact CG1-CB 3.8Å; V1022-V1030 HydrophobicContact CG1-CG1 4.45Å; V1022-V1030 HydrophobicContact CG1-CG2 4.13Å; V1022-K1031 CarbonylContact C-O 3.56Å; V1022-K1031 WeakPolarHBondContact CA-O 3.08Å
1023	L	93.9	Very high	90.2	Very high	45 Å²	45	22.7 Å²	22.7	24%	0.236	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	147.1	-176.6	-56.9	-179.2	0	0	0	111.5	V951 L972 G975 V1030 K1031	V951-L1023 HydrophobicContact CG2-CD1 3.79Å; L972-L1023 HydrophobicContact CB-CB 4.35Å; L972-L1023 HydrophobicContact CD1-CB 3.39Å; L972-L1023 HydrophobicContact CD1-CD1 3.8Å; L972-L1023 HydrophobicContact CD1-CG 4.24Å; L972-L1023 HydrophobicContact CG-CB 4.49Å; G975-L1023 CarbonylContact O-C 3.55Å; G975-L1023 WeakPolarHBondContact O-CA 3.32Å; L1023-V1030 CarbonylContact O-C 3.55Å; L1023-V1030 VanDerWaalsContact O-CA 3.25Å; L1023-V1030 WeakPolarHBondContact O-CA 3.1Å; L1023-K1031 PolarHBondContact N-O 3.5Å; L1023-K1031 PolarHBondContact O-N 3.32Å
1024	V	89.4	Confident	89.9	Confident	0 Å²	0	23.9 Å²	23.9	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	122.5	-179.9	-171	0	0	0	0	109.1	L974 G975 L977 Y980 K1026 V1030	L974-V1024 HydrophobicContact CB-CB 3.79Å; L974-V1024 HydrophobicContact CB-CG1 4.02Å; L974-V1024 WeakPolarHBondContact CB-O 3.41Å; L974-V1024 HydrophobicContact CD1-CB 4.44Å; L974-V1024 HydrophobicContact CD1-CG1 3.74Å; G975-V1024 PolarHBondContact O-N 3.35Å; L977-V1024 HydrophobicContact CD2-CG2 3.63Å; L977-V1024 HydrophobicContact CG-CG2 4.06Å; Y980-V1024 HydrophobicContact CD1-CG2 4.16Å; Y980-V1024 HydrophobicContact CD2-CB 4.38Å; Y980-V1024 HydrophobicContact CD2-CG1 4.31Å; Y980-V1024 HydrophobicContact CD2-CG2 4.18Å; Y980-V1024 HydrophobicContact CE2-CG1 4.17Å; Y980-V1024 HydrophobicContact CG-CG2 3.84Å; V1024-K1026 WeakPolarHBondContact CG1-O 3.45Å; V1024-V1030 HydrophobicContact CG2-CG1 4.25Å
1025	E	81.1	Confident	89.7	Confident	47 Å²	47	24 Å²	24	22%	0.22	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	-42.3	175.9	-179	175.2	-139.7	0	0	111.5	L972 M1029 K1031	L972-E1025 HydrophobicContact CD2-CB 3.89Å; L972-E1025 HydrophobicContact CD2-CG 3.96Å; E1025-M1029 HydrophobicContact CB-CB 4.44Å; E1025-M1029 HydrophobicContact CB-CG 4.43Å; E1025-M1029 PolarHBondContact N-O 2.82Å; E1025-M1029 WeakPolarHBondContact OE2-CG 3.49Å; E1025-K1031 VanDerWaalsContact CD-NZ 3.31Å; E1025-K1031 WeakPolarHBondContact OE1-CE 3.4Å; E1025-K1031 IonicContact OE1-NZ 3.02Å; E1025-K1031 PolarHBondContact OE1-NZ 2.81Å; E1025-K1031 WeakPolarHBondContact OE2-CE 3.28Å; E1025-K1031 IonicContact OE2-NZ 3.88Å; E1025-K1031 PolarHBondContact OE2-NZ 2.89Å
1026	K	76.8	Confident	89.1	Confident	97 Å²	97	23.8 Å²	23.8	42%	0.422	12%	0.124	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.4	167.7	173.9	54.8	-179.9	177.9	-173.2	0	108.2	V1024 G1028 M1029	V1024-K1026 WeakPolarHBondContact CG1-O 3.45Å; K1026-G1028 PolarHBondContact O-N 2.82Å; K1026-M1029 HydrophobicContact CD-CB 4.44Å; K1026-M1029 HydrophobicContact CG-CB 3.66Å; K1026-M1029 PolarHBondContact N-O 3.22Å; K1026-M1029 PolarHBondContact O-N 2.84Å; K1026-M1029 VanDerWaalsContact O-O 3.06Å
1027	E	71.9	Confident	88.8	Confident	88 Å²	88	23.9 Å²	23.9	41%	0.411	13%	0.125	S	C	.	.	T	Hydrogen-bonded Turn	trans	-49.1	-34.7	-176.5	-168.9	-172.4	-173.9	0	0	113.9	Y996	Y996-E1027 VanDerWaalsContact CE1-O 3.27Å; Y996-E1027 WeakPolarHBondContact CE1-O 3.33Å; Y996-E1027 PolarHBondContact OH-O 2.94Å
1028	G	78.8	Confident	88.4	Confident	47 Å²	47	24 Å²	24	49%	0.485	13%	0.126	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.1	1.1	178.2	0	0	0	0	0	116.2	Q999 K1026	Q999-G1028 PolarHBondContact NE2-O 2.87Å; K1026-G1028 PolarHBondContact O-N 2.82Å
1029	M	86.1	Confident	88	Confident	39 Å²	39	25.1 Å²	25.1	19%	0.192	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	125.3	-166.8	-168.1	157.3	-90.3	0	0	114.2	Q999 E1025 K1026	Q999-M1029 VanDerWaalsContact OE1-CA 3.27Å; E1025-M1029 HydrophobicContact CB-CB 4.44Å; E1025-M1029 HydrophobicContact CB-CG 4.43Å; E1025-M1029 PolarHBondContact N-O 2.82Å; E1025-M1029 WeakPolarHBondContact OE2-CG 3.49Å; K1026-M1029 HydrophobicContact CD-CB 4.44Å; K1026-M1029 HydrophobicContact CG-CB 3.66Å; K1026-M1029 PolarHBondContact N-O 3.22Å; K1026-M1029 PolarHBondContact O-N 2.84Å; K1026-M1029 VanDerWaalsContact O-O 3.06Å
1030	V	95.1	Very high	87.5	Confident	1 Å²	1	27.3 Å²	27.3	1%	0.006	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	150.3	178.9	-62.5	0	0	0	0	112.3	N949 L977 Y996 Q999 I1000 V1022 L1023 V1024	N949-V1030 WeakPolarHBondContact CA-O 3.07Å; N949-V1030 PolarHBondContact ND2-O 3.41Å; L977-V1030 HydrophobicContact CD1-CG1 4.29Å; L977-V1030 HydrophobicContact CD2-CG1 4.08Å; L977-V1030 HydrophobicContact CG-CG1 4.29Å; Y996-V1030 HydrophobicContact CD1-CB 4.47Å; Y996-V1030 HydrophobicContact CD1-CG1 3.42Å; Y996-V1030 VanDerWaalsContact CD1-CG1 3.42Å; Y996-V1030 HydrophobicContact CD1-CG2 4.23Å; Y996-V1030 HydrophobicContact CE1-CG1 3.73Å; Y996-V1030 HydrophobicContact CG-CG1 4.01Å; Q999-V1030 HydrophobicContact CB-CG2 3.64Å; I1000-V1030 HydrophobicContact CG1-CG2 4.27Å; V1022-V1030 HydrophobicContact CG1-CB 3.8Å; V1022-V1030 HydrophobicContact CG1-CG1 4.45Å; V1022-V1030 HydrophobicContact CG1-CG2 4.13Å; L1023-V1030 CarbonylContact O-C 3.55Å; L1023-V1030 VanDerWaalsContact O-CA 3.25Å; L1023-V1030 WeakPolarHBondContact O-CA 3.1Å; V1024-V1030 HydrophobicContact CG2-CG1 4.25Å
1031	K	96.6	Very high	87	Confident	3 Å²	3	24.4 Å²	24.4	1%	0.013	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	139.3	-179.2	-55.1	-163.4	-172.5	178.4	0	111.9	E948 N949 V951 E970 L972 V1022 L1023 E1025	E948-K1031 WeakPolarHBondContact O-CE 3.36Å; E948-K1031 WeakPolarHBondContact O-CG 3.45Å; N949-K1031 CarbonylContact O-C 3.56Å; N949-K1031 WeakPolarHBondContact O-CA 3.08Å; V951-K1031 HydrophobicContact CG2-CB 4.13Å; E970-K1031 WeakPolarHBondContact OE1-CD 3.4Å; E970-K1031 IonicContact OE1-NZ 3.47Å; E970-K1031 PolarHBondContact OE1-NZ 2.88Å; E970-K1031 IonicContact OE2-NZ 3.77Å; E970-K1031 PolarHBondContact OE2-NZ 2.85Å; L972-K1031 HydrophobicContact CD1-CB 4.2Å; L972-K1031 HydrophobicContact CD1-CD 4.24Å; L972-K1031 HydrophobicContact CD1-CG 4.42Å; V1022-K1031 CarbonylContact C-O 3.56Å; V1022-K1031 WeakPolarHBondContact CA-O 3.08Å; L1023-K1031 PolarHBondContact N-O 3.5Å; L1023-K1031 PolarHBondContact O-N 3.32Å; E1025-K1031 VanDerWaalsContact CD-NZ 3.31Å; E1025-K1031 WeakPolarHBondContact OE1-CE 3.4Å; E1025-K1031 IonicContact OE1-NZ 3.02Å; E1025-K1031 PolarHBondContact OE1-NZ 2.81Å; E1025-K1031 WeakPolarHBondContact OE2-CE 3.28Å; E1025-K1031 IonicContact OE2-NZ 3.88Å; E1025-K1031 PolarHBondContact OE2-NZ 2.89Å
1032	I	96.6	Very high	85.8	Confident	2 Å²	2	30.7 Å²	30.7	1%	0.01	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	130.9	177.4	-55.3	167.3	0	0	0	108.9	N949 V951 I1000 M1004 H1014 L1017 F1035	N949-I1032 WeakPolarHBondContact O-CG1 3.37Å; N949-I1032 PolarHBondContact O-N 3.45Å; V951-I1032 WeakPolarHBondContact CG2-O 3.46Å; V951-I1032 PolarHBondContact N-O 3.39Å; I1000-I1032 HydrophobicContact CG2-CD1 4.23Å; M1004-I1032 HydrophobicContact CG-CD1 3.74Å; M1004-I1032 HydrophobicContact SD-CD1 3.85Å; H1014-I1032 WeakPolarHBondContact NE2-CG2 3.42Å; L1017-I1032 HydrophobicContact CD1-CG2 4.26Å; I1032-F1035 HydrophobicContact CG2-CZ 4.47Å; I1032-F1035 WeakPolarHBondContact O-CE2 3.31Å
1033	G	90.7	Very high	84	Confident	4 Å²	4	39.5 Å²	39.5	4%	0.041	20%	0.204	C	C	.	.			trans	-128	-173.7	178.3	0	0	0	0	0	112.7	H1014 N1021	H1014-G1033 PolarHBondContact NE2-O 2.85Å; N1021-G1033 PolarHBondContact O-N 3.47Å
1034	D	86.1	Confident	82.4	Confident	25 Å²	25	41.3 Å²	41.3	13%	0.134	21%	0.213	C	C	.	.			trans	55.2	82.9	-176	-158.3	0.9	0	0	0	114.7	H898 K921 H1014 N1021	H898-D1034 PolarHBondContact N-OD2 2.89Å; K921-D1034 IonicContact NZ-OD1 2.77Å; K921-D1034 PolarHBondContact NZ-OD1 2.99Å; H1014-D1034 PolarHBondContact CE1-O 3.42Å; N1021-D1034 HydrophobicContact CB-CB 4.35Å
1035	F	88.1	Confident	81	Confident	2 Å²	2	49.1 Å²	49.1	1%	0.009	26%	0.255	C	S	.	.			trans	-94.6	8.2	-175	-74.2	-92.1	0	0	0	113.2	E938 I941 L942 L945 I950 L1007 I1032 L1037 T1038	E938-F1035 HydrophobicContact CG-CB 3.87Å; E938-F1035 PolarHBondContact OE1-N 2.92Å; E938-F1035 VanDerWaalsContact OE1-N 3.09Å; I941-F1035 HydrophobicContact CG2-CD1 4.22Å; L942-F1035 HydrophobicContact CD1-CD2 3.45Å; L942-F1035 VanDerWaalsContact CD1-CD2 3.45Å; L942-F1035 HydrophobicContact CD1-CE2 3.5Å; L942-F1035 VanDerWaalsContact CD1-CE2 3.5Å; L942-F1035 HydrophobicContact CD1-CG 4.13Å; L942-F1035 HydrophobicContact CD1-CZ 4.23Å; L942-F1035 HydrophobicContact CG-CD2 4.48Å; L945-F1035 HydrophobicContact CD1-CD1 3.81Å; L945-F1035 HydrophobicContact CD1-CE1 3.47Å; L945-F1035 VanDerWaalsContact CD1-CE1 3.47Å; L945-F1035 HydrophobicContact CD1-CZ 4.05Å; I950-F1035 HydrophobicContact CD1-CZ 4.44Å; I950-F1035 HydrophobicContact CG1-CZ 4.37Å; I950-F1035 HydrophobicContact CG2-CE2 3.86Å; I950-F1035 HydrophobicContact CG2-CZ 3.54Å; L1007-F1035 HydrophobicContact CD1-CE1 4.03Å; L1007-F1035 HydrophobicContact CD2-CE1 4.29Å; I1032-F1035 HydrophobicContact CG2-CZ 4.47Å; I1032-F1035 WeakPolarHBondContact O-CE2 3.31Å; F1035-L1037 VanDerWaalsContact C-N 3.3Å; F1035-L1037 PolarHBondContact O-N 2.86Å; F1035-T1038 WeakPolarHBondContact CA-OG1 3.01Å; F1035-T1038 HydrophobicContact CD1-CG2 4.31Å; F1035-T1038 WeakPolarHBondContact CD1-OG1 3.3Å; F1035-T1038 WeakPolarHBondContact O-CB 3.35Å; F1035-T1038 PolarHBondContact O-N 2.86Å; F1035-T1038 PolarHBondContact O-OG1 2.79Å; F1035-T1038 VanDerWaalsContact O-OG1 3.07Å
1036	G	80.5	Confident	80.5	Confident	4 Å²	4	49 Å²	49	4%	0.041	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-33.5	-169.8	0	0	0	0	0	114.2	F899 E938 T1038	F899-G1036 WeakPolarHBondContact CE2-O 3.34Å; F899-G1036 VanDerWaalsContact CZ-C 3.43Å; F899-G1036 WeakPolarHBondContact CZ-O 3.34Å; E938-G1036 VanDerWaalsContact CD-CA 3.49Å; E938-G1036 VanDerWaalsContact CD-N 3.27Å; E938-G1036 PolarHBondContact OE1-N 2.81Å; E938-G1036 WeakPolarHBondContact OE2-CA 3.35Å; G1036-T1038 VanDerWaalsContact C-N 3.27Å
1037	L	83.6	Confident	80.7	Confident	8 Å²	8	48.4 Å²	48.4	4%	0.042	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.4	-4.5	176.4	-74.4	177.9	0	0	0	113	F899 H1014 R1015 D1016 F1035	F899-L1037 HydrophobicContact CE2-CD2 4.19Å; F899-L1037 HydrophobicContact CE2-CG 4.09Å; F899-L1037 HydrophobicContact CZ-CD2 3.96Å; F899-L1037 HydrophobicContact CZ-CG 4.36Å; H1014-L1037 CarbonylContact O-C 3.56Å; R1015-L1037 HydrophobicContact CB-CB 4.1Å; R1015-L1037 VanDerWaalsContact CD-O 3.31Å; R1015-L1037 WeakPolarHBondContact CD-O 3.37Å; R1015-L1037 PolarHBondContact NH1-O 2.84Å; D1016-L1037 HydrophobicContact CB-CB 4.41Å; D1016-L1037 HydrophobicContact CB-CD1 3.97Å; F1035-L1037 VanDerWaalsContact C-N 3.3Å; F1035-L1037 PolarHBondContact O-N 2.86Å
1038	T	88.4	Confident	81.2	Confident	2 Å²	2	46.1 Å²	46.1	1%	0.012	25%	0.25	C	S	.	.			trans	-67.2	140.2	-173.9	-59	0	0	0	0	111.4	I941 Y1012 I1013 H1014 F1035 G1036	I941-T1038 HydrophobicContact CD1-CG2 4.08Å; I941-T1038 WeakPolarHBondContact CD1-O 3.42Å; I941-T1038 HydrophobicContact CG2-CG2 3.87Å; Y1012-T1038 HydrophobicContact CD1-CG2 4.11Å; Y1012-T1038 HydrophobicContact CG-CG2 4.34Å; I1013-T1038 CarbonylContact O-C 3.57Å; I1013-T1038 VanDerWaalsContact O-CA 3.22Å; I1013-T1038 WeakPolarHBondContact O-CA 3.21Å; I1013-T1038 WeakPolarHBondContact O-CG2 3.34Å; H1014-T1038 PolarHBondContact O-N 2.8Å; H1014-T1038 PolarHBondContact O-OG1 3.32Å; F1035-T1038 WeakPolarHBondContact CA-OG1 3.01Å; F1035-T1038 HydrophobicContact CD1-CG2 4.31Å; F1035-T1038 WeakPolarHBondContact CD1-OG1 3.3Å; F1035-T1038 WeakPolarHBondContact O-CB 3.35Å; F1035-T1038 PolarHBondContact O-N 2.86Å; F1035-T1038 PolarHBondContact O-OG1 2.79Å; F1035-T1038 VanDerWaalsContact O-OG1 3.07Å; G1036-T1038 VanDerWaalsContact C-N 3.27Å
1039	K	87.1	Confident	81.4	Confident	24 Å²	24	46.6 Å²	46.6	10%	0.104	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	143.7	179.9	-62.2	-70.5	-180	-171.7	0	112	Y1012 I1013 Y1048	Y1012-K1039 WeakPolarHBondContact CA-O 3.49Å; I1013-K1039 PolarHBondContact N-O 2.85Å; I1013-K1039 PolarHBondContact O-N 3.12Å; K1039-Y1048 HydrophobicContact CB-CD1 4.08Å; K1039-Y1048 HydrophobicContact CB-CD2 4.11Å; K1039-Y1048 HydrophobicContact CB-CE1 4.18Å; K1039-Y1048 HydrophobicContact CB-CE2 4.23Å; K1039-Y1048 HydrophobicContact CB-CG 4.04Å; K1039-Y1048 HydrophobicContact CD-CE1 4.14Å; K1039-Y1048 HydrophobicContact CD-CE2 4.14Å; K1039-Y1048 WeakPolarHBondContact CE-OH 3.24Å; K1039-Y1048 HydrophobicContact CG-CD1 3.91Å; K1039-Y1048 HydrophobicContact CG-CD2 4.37Å; K1039-Y1048 HydrophobicContact CG-CE1 3.53Å; K1039-Y1048 HydrophobicContact CG-CE2 4.06Å; K1039-Y1048 HydrophobicContact CG-CG 4.31Å
1040	S	84.7	Confident	80.9	Confident	46 Å²	46	45.8 Å²	45.8	32%	0.322	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	136.9	175.4	176.8	0	0	0	0	111	K1042	S1040-K1042 WeakPolarHBondContact OG-CG 3.32Å; S1040-K1042 PolarHBondContact OG-N 2.93Å
1041	L	81.3	Confident	79.5	Confident	13 Å²	13	54.7 Å²	54.7	7%	0.068	28%	0.28	C	S	.	.			trans	-91.8	0.7	174.6	-72.2	176	0	0	0	113.9	N1011 I1013 E1043 N1044 L1073	N1011-L1041 HydrophobicContact CB-CB 4.26Å; N1011-L1041 PolarHBondContact O-N 3.1Å; I1013-L1041 HydrophobicContact CD1-CD1 3.76Å; I1013-L1041 HydrophobicContact CD1-CD2 3.57Å; I1013-L1041 HydrophobicContact CD1-CG 3.76Å; I1013-L1041 HydrophobicContact CG1-CD1 3.76Å; I1013-L1041 HydrophobicContact CG1-CD2 4.31Å; I1013-L1041 HydrophobicContact CG1-CG 3.93Å; L1041-E1043 PolarHBondContact O-N 3.43Å; L1041-N1044 PolarHBondContact O-N 3.15Å; L1041-N1044 VanDerWaalsContact O-N 3.15Å; L1041-L1073 HydrophobicContact CD1-CD2 4.21Å; L1041-L1073 HydrophobicContact CD1-CG 4Å
1042	K	69.4	Low	77.7	Confident	148 Å²	148	57.4 Å²	57.4	64%	0.643	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-22.2	-170.9	-70.5	179	-178.7	177.6	0	115.2	S1040	S1040-K1042 WeakPolarHBondContact OG-CG 3.32Å; S1040-K1042 PolarHBondContact OG-N 2.93Å
1043	E	57.5	Low	75.7	Confident	185 Å²	185	66.4 Å²	66.4	86%	0.864	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.9	-7.4	-176.4	-64.7	176.9	179.7	0	0	114.2	L1041	L1041-E1043 PolarHBondContact O-N 3.43Å
1044	N	59.8	Low	74.1	Confident	82 Å²	82	69.6 Å²	69.6	44%	0.439	35%	0.353	S	S	.	.	S	Bend	trans	-117.8	153.6	-169.7	-70.9	-38	0	0	0	113.4	L1041 G1046 Y1047	L1041-N1044 PolarHBondContact O-N 3.15Å; L1041-N1044 VanDerWaalsContact O-N 3.15Å; N1044-G1046 PolarHBondContact O-N 3.25Å; N1044-Y1047 VanDerWaalsContact CB-O 3.24Å; N1044-Y1047 WeakPolarHBondContact CB-O 3.27Å
1045	N	60.3	Low	73	Confident	164 Å²	164	75.7 Å²	75.7	88%	0.877	39%	0.385	S	S	*	.	S	Bend	trans	-70.4	53.4	176.1	-78	-0.3	0	0	0	113.3
1046	G	70.3	Confident	72.4	Confident	46 Å²	46	77.5 Å²	77.5	47%	0.474	40%	0.398	S	S	.	.	S	Bend	trans	88.1	4.6	169	0	0	0	0	0	117.2	N1044	N1044-G1046 PolarHBondContact O-N 3.25Å
1047	Y	81	Confident	72.7	Confident	83 Å²	83	78 Å²	78	33%	0.325	40%	0.4	S	S	.	.			trans	-150.8	159.6	173.3	64.1	-90.9	0	0	0	112.5	N1044 K1070 F1071 Y1072	N1044-Y1047 VanDerWaalsContact CB-O 3.24Å; N1044-Y1047 WeakPolarHBondContact CB-O 3.27Å; Y1047-K1070 HydrophobicContact CD2-CB 4.37Å; Y1047-K1070 HydrophobicContact CD2-CD 3.97Å; Y1047-K1070 HydrophobicContact CD2-CG 3.96Å; Y1047-K1070 HydrophobicContact CE2-CD 3.93Å; Y1047-K1070 HydrophobicContact CE2-CG 4.15Å; Y1047-F1071 CarbonylContact C-O 3.45Å; Y1047-F1071 WeakPolarHBondContact CA-O 3.42Å; Y1047-F1071 WeakPolarHBondContact CB-O 3.43Å; Y1047-Y1072 AromaticContact CD1-CE1 3.92Å; Y1047-Y1072 HydrophobicContact CD1-CE1 3.92Å; Y1047-Y1072 AromaticContact CG-CE1 3.93Å; Y1047-Y1072 HydrophobicContact CG-CE1 3.93Å; Y1047-Y1072 AromaticContact CG-CZ 4Å
1048	Y	83.7	Confident	72.9	Confident	40 Å²	40	79 Å²	79	16%	0.157	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	134.4	175.1	176.8	-103.8	0	0	0	110.4	K1039 V1050 K1070 F1071	K1039-Y1048 HydrophobicContact CB-CD1 4.08Å; K1039-Y1048 HydrophobicContact CB-CD2 4.11Å; K1039-Y1048 HydrophobicContact CB-CE1 4.18Å; K1039-Y1048 HydrophobicContact CB-CE2 4.23Å; K1039-Y1048 HydrophobicContact CB-CG 4.04Å; K1039-Y1048 HydrophobicContact CD-CE1 4.14Å; K1039-Y1048 HydrophobicContact CD-CE2 4.14Å; K1039-Y1048 WeakPolarHBondContact CE-OH 3.24Å; K1039-Y1048 HydrophobicContact CG-CD1 3.91Å; K1039-Y1048 HydrophobicContact CG-CD2 4.37Å; K1039-Y1048 HydrophobicContact CG-CE1 3.53Å; K1039-Y1048 HydrophobicContact CG-CE2 4.06Å; K1039-Y1048 HydrophobicContact CG-CG 4.31Å; Y1048-V1050 HydrophobicContact CD1-CG2 4.02Å; Y1048-V1050 HydrophobicContact CE1-CB 4.43Å; Y1048-V1050 HydrophobicContact CE1-CG2 3.65Å; Y1048-K1070 CarbonylContact O-C 3.43Å; Y1048-K1070 WeakPolarHBondContact O-CA 3.44Å; Y1048-F1071 PolarHBondContact N-O 3.02Å; Y1048-F1071 PolarHBondContact O-N 2.8Å
1049	T	82.1	Confident	73.1	Confident	57 Å²	57	79.8 Å²	79.8	35%	0.35	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	124.3	173.4	-58.6	0	0	0	0	110.1	C1069	T1049-C1069 VanDerWaalsContact CA-O 3.27Å; T1049-C1069 WeakPolarHBondContact CA-O 3.34Å; T1049-C1069 HydrophobicContact CG2-CB 4.36Å
1050	V	76.8	Confident	73.5	Confident	22 Å²	22	79.9 Å²	79.9	13%	0.133	41%	0.41	C	S	.	.			trans	-78.3	135.2	175.4	-179.9	0	0	0	0	109.3	Y1048 C1069 F1071	Y1048-V1050 HydrophobicContact CD1-CG2 4.02Å; Y1048-V1050 HydrophobicContact CE1-CB 4.43Å; Y1048-V1050 HydrophobicContact CE1-CG2 3.65Å; V1050-C1069 HydrophobicContact CB-CB 4.47Å; V1050-C1069 PolarHBondContact N-O 3.47Å; V1050-F1071 HydrophobicContact CB-CE2 4.13Å; V1050-F1071 HydrophobicContact CG2-CD2 3.52Å; V1050-F1071 HydrophobicContact CG2-CE2 3.21Å; V1050-F1071 HydrophobicContact CG2-CZ 4.05Å
1051	K	65.1	Low	73.9	Confident	188 Å²	188	78.2 Å²	78.2	82%	0.817	40%	0.397	S	S	*	.			trans	-112	-8.2	176	-64.5	-176.2	178.6	-179.9	0	113.4
1052	D	58.7	Low	74.5	Confident	60 Å²	60	77.6 Å²	77.6	32%	0.321	39%	0.393	S	S	.	.			trans	-104.4	141.1	-168.9	-46.4	-28.1	0	0	0	111.1	N1054	D1052-N1054 PolarHBondContact O-N 3.16Å
1053	E	54	Low	75.6	Confident	191 Å²	191	70.7 Å²	70.7	89%	0.893	36%	0.364	S	S	*	.			trans	-90.2	42.6	-177.7	-63.4	-168	160.3	0	0	113.8
1054	N	58.1	Low	77.3	Confident	71 Å²	71	62.6 Å²	62.6	38%	0.38	33%	0.326	S	S	.	.			trans	-82.7	157.3	-179.3	-66.6	-3.2	0	0	0	113.4	H898 D1052 S1056	H898-N1054 WeakPolarHBondContact NE2-CB 3.49Å; D1052-N1054 PolarHBondContact O-N 3.16Å; N1054-S1056 PolarHBondContact O-N 3.09Å; N1054-S1056 PolarHBondContact O-OG 3.11Å; N1054-S1056 VanDerWaalsContact O-OG 3.12Å
1055	D	63.8	Low	78.8	Confident	154 Å²	154	58.9 Å²	58.9	82%	0.824	31%	0.307	S	S	*	.			trans	-54.1	96.7	175.1	-88.4	-27.6	0	0	0	112.2	H898	H898-D1055 PolarHBondContact CE1-O 3.11Å; H898-D1055 PolarHBondContact ND1-O 3.24Å
1056	S	75.4	Confident	80.1	Confident	39 Å²	39	52.1 Å²	52.1	27%	0.273	27%	0.27	S	S	.	.			trans	-98.4	145.5	-175	-74.9	0	0	0	0	111.4	N1054 V1058 Y1061	N1054-S1056 PolarHBondContact O-N 3.09Å; N1054-S1056 PolarHBondContact O-OG 3.11Å; N1054-S1056 VanDerWaalsContact O-OG 3.12Å; S1056-V1058 PolarHBondContact O-N 3.05Å; S1056-Y1061 VanDerWaalsContact CB-CE2 3.47Å; S1056-Y1061 WeakPolarHBondContact CB-OH 3.22Å; S1056-Y1061 PolarHBondContact OG-OH 2.74Å
1057	P	85.8	Confident	80.9	Confident	14 Å²	14	53.2 Å²	53.2	9%	0.091	27%	0.268	C	S	.	.			trans	-72.6	65.4	176	35.5	-42.5	0	0	0	111.4	D1016 F1059 W1060 Y1061	D1016-P1057 VanDerWaalsContact OD1-CG 3.24Å; D1016-P1057 WeakPolarHBondContact OD1-CG 3.42Å; P1057-F1059 PolarHBondContact O-N 2.97Å; P1057-W1060 HydrophobicContact CB-CB 4.45Å; P1057-W1060 HydrophobicContact CB-CE3 4.32Å; P1057-W1060 PolarHBondContact O-N 3.32Å; P1057-Y1061 HydrophobicContact CG-CD1 4.13Å; P1057-Y1061 HydrophobicContact CG-CE1 3.51Å; P1057-Y1061 PolarHBondContact O-N 2.73Å
1058	V	88.8	Confident	81.2	Confident	29 Å²	29	54.3 Å²	54.3	18%	0.176	28%	0.276	C	S	.	.	G	3₁₀ helix	trans	-57	-28.7	-168.7	-66	0	0	0	0	114.1	S1056 W1060 Y1061 L1066 I1114	S1056-V1058 PolarHBondContact O-N 3.05Å; V1058-W1060 VanDerWaalsContact C-N 3.27Å; V1058-W1060 PolarHBondContact O-N 3.09Å; V1058-Y1061 PolarHBondContact O-N 2.71Å; V1058-L1066 HydrophobicContact CB-CD2 4.02Å; V1058-L1066 HydrophobicContact CG1-CD2 4.23Å; V1058-I1114 HydrophobicContact CG1-CD1 4.16Å; V1058-I1114 HydrophobicContact CG1-CG1 4.17Å
1059	F	92.5	Very high	81.4	Confident	20 Å²	20	55 Å²	55	9%	0.088	29%	0.286	C	S	.	.	G	3₁₀ helix	trans	-74.3	-13.4	177	-57.8	-70.6	0	0	0	114.1	P1057 M1098 F1101 L1102 T1113 L1117	P1057-F1059 PolarHBondContact O-N 2.97Å; F1059-M1098 HydrophobicContact CD2-CB 3.88Å; F1059-M1098 HydrophobicContact CD2-CG 3.94Å; F1059-M1098 HydrophobicContact CE2-CB 4.03Å; F1059-M1098 HydrophobicContact CE2-CE 4.32Å; F1059-M1098 HydrophobicContact CE2-CG 3.54Å; F1059-M1098 HydrophobicContact CE2-SD 4.09Å; F1059-M1098 HydrophobicContact CG-CB 4.35Å; F1059-M1098 HydrophobicContact CZ-CG 4Å; F1059-F1101 HydrophobicContact CB-CD2 4.2Å; F1059-F1101 HydrophobicContact CD1-CB 3.73Å; F1059-F1101 AromaticContact CD1-CD2 3.97Å; F1059-F1101 HydrophobicContact CD1-CD2 3.97Å; F1059-F1101 HydrophobicContact CD1-CG 4.18Å; F1059-F1101 HydrophobicContact CE1-CB 3.95Å; F1059-L1102 HydrophobicContact CZ-CD2 4.33Å; F1059-L1102 HydrophobicContact CZ-CG 4.24Å; F1059-T1113 HydrophobicContact CE1-CG2 4.18Å; F1059-T1113 HydrophobicContact CZ-CG2 3.96Å; F1059-L1117 HydrophobicContact CD1-CD2 4.08Å
1060	W	94.8	Very high	81.7	Confident	25 Å²	25	54.9 Å²	54.9	10%	0.095	28%	0.281	C	S	.	.	G	3₁₀ helix	trans	-101.3	-3.2	173.8	-74.7	-108.4	0	0	0	112.4	A1018 P1057 V1058 S1079 V1082 E1086 P1097	A1018-W1060 HydrophobicContact CB-CD2 4.41Å; A1018-W1060 HydrophobicContact CB-CG 4.33Å; P1057-W1060 HydrophobicContact CB-CB 4.45Å; P1057-W1060 HydrophobicContact CB-CE3 4.32Å; P1057-W1060 PolarHBondContact O-N 3.32Å; V1058-W1060 VanDerWaalsContact C-N 3.27Å; V1058-W1060 PolarHBondContact O-N 3.09Å; W1060-S1079 WeakPolarHBondContact O-CA 3.48Å; W1060-S1079 WeakPolarHBondContact O-CB 3.27Å; W1060-S1079 PolarHBondContact O-OG 3.02Å; W1060-V1082 HydrophobicContact CD2-CG1 4.07Å; W1060-V1082 HydrophobicContact CG-CB 4.2Å; W1060-V1082 HydrophobicContact CG-CG1 3.87Å; W1060-E1086 VanDerWaalsContact CZ2-CD 3.46Å; W1060-E1086 HydrophobicContact CZ2-CG 4.25Å; W1060-E1086 VanDerWaalsContact CZ2-OE1 3.31Å; W1060-E1086 WeakPolarHBondContact CZ2-OE1 3.48Å; W1060-E1086 PolarHBondContact NE1-OE2 3.15Å; W1060-P1097 HydrophobicContact CH2-CB 4.1Å; W1060-P1097 HydrophobicContact CH2-CG 4.17Å; W1060-P1097 HydrophobicContact CZ2-CB 4.01Å; W1060-P1097 HydrophobicContact CZ2-CG 3.66Å
1061	Y	93.8	Very high	82.4	Confident	11 Å²	11	54.1 Å²	54.1	4%	0.043	28%	0.276	C	S	.	.			trans	-84.5	147	-177.4	-80.2	2.1	0	0	0	113.2	R1015 S1056 P1057 V1058 C1065 L1066 F1071 W1078	R1015-Y1061 WeakPolarHBondContact O-CE1 3.42Å; S1056-Y1061 VanDerWaalsContact CB-CE2 3.47Å; S1056-Y1061 WeakPolarHBondContact CB-OH 3.22Å; S1056-Y1061 PolarHBondContact OG-OH 2.74Å; P1057-Y1061 HydrophobicContact CG-CD1 4.13Å; P1057-Y1061 HydrophobicContact CG-CE1 3.51Å; P1057-Y1061 PolarHBondContact O-N 2.73Å; V1058-Y1061 PolarHBondContact O-N 2.71Å; Y1061-C1065 HydrophobicContact CD2-CB 4.14Å; Y1061-C1065 HydrophobicContact CG-CB 4.12Å; Y1061-L1066 HydrophobicContact CD2-CD2 4.06Å; Y1061-L1066 HydrophobicContact CG-CD2 4.45Å; Y1061-F1071 HydrophobicContact CD1-CE1 4.14Å; Y1061-F1071 HydrophobicContact CD2-CE1 4.38Å; Y1061-F1071 HydrophobicContact CD2-CZ 4.09Å; Y1061-F1071 AromaticContact CE1-CE1 3.73Å; Y1061-F1071 HydrophobicContact CE1-CE1 3.73Å; Y1061-F1071 HydrophobicContact CE1-CZ 4.15Å; Y1061-F1071 HydrophobicContact CE2-CE1 4.03Å; Y1061-F1071 AromaticContact CE2-CZ 3.59Å; Y1061-F1071 HydrophobicContact CE2-CZ 3.59Å; Y1061-F1071 HydrophobicContact CG-CE1 4.44Å; Y1061-F1071 AromaticContact CZ-CE1 3.68Å; Y1061-F1071 AromaticContact CZ-CZ 3.63Å; Y1061-W1078 PolarHBondContact O-NE1 3.26Å
1062	A	93.8	Very high	83.7	Confident	0 Å²	0	47.4 Å²	47.4	0%	0	25%	0.246	C	C	.	.			trans	-75	158.1	172.9	0	0	0	0	0	111.7	E1064 C1065 L1066 W1078	A1062-E1064 VanDerWaalsContact C-N 3.28Å; A1062-E1064 VanDerWaalsContact CB-CD 3.46Å; A1062-E1064 VanDerWaalsContact CB-OE1 3.24Å; A1062-E1064 WeakPolarHBondContact CB-OE1 3.3Å; A1062-E1064 VanDerWaalsContact CB-OE2 3.26Å; A1062-E1064 WeakPolarHBondContact CB-OE2 3.31Å; A1062-E1064 PolarHBondContact O-N 3.07Å; A1062-C1065 VanDerWaalsContact O-CB 3.31Å; A1062-C1065 WeakPolarHBondContact O-CB 3.41Å; A1062-C1065 PolarHBondContact O-N 3.35Å; A1062-L1066 PolarHBondContact O-N 2.86Å; A1062-L1066 VanDerWaalsContact O-N 3.14Å; A1062-W1078 HydrophobicContact CB-CB 3.73Å; A1062-W1078 HydrophobicContact CB-CD2 3.91Å; A1062-W1078 HydrophobicContact CB-CE3 4.25Å; A1062-W1078 HydrophobicContact CB-CG 3.67Å
1063	P	91.8	Very high	85.3	Confident	4 Å²	4	47.5 Å²	47.5	3%	0.026	25%	0.246	C	C	.	.	H	α-helix	trans	-55.9	-38.2	-178.5	-26.5	35	0	0	0	114	C1065 L1066 T1067 W1078 L1121	P1063-C1065 VanDerWaalsContact C-N 3.32Å; P1063-C1065 PolarHBondContact O-N 3.24Å; P1063-L1066 PolarHBondContact O-N 3.05Å; P1063-T1067 WeakPolarHBondContact O-CB 3.37Å; P1063-T1067 WeakPolarHBondContact O-CG2 3.29Å; P1063-T1067 PolarHBondContact O-N 2.93Å; P1063-T1067 PolarHBondContact O-OG1 3.23Å; P1063-W1078 VanDerWaalsContact CD-CZ3 3.48Å; P1063-W1078 HydrophobicContact CG-CH2 3.71Å; P1063-W1078 HydrophobicContact CG-CZ2 4.29Å; P1063-W1078 HydrophobicContact CG-CZ3 3.88Å; P1063-L1121 HydrophobicContact CG-CB 4.32Å; P1063-L1121 HydrophobicContact CG-CD1 4.29Å
1064	E	92.4	Very high	87.3	Confident	14 Å²	14	39.5 Å²	39.5	7%	0.065	21%	0.212	C	C	.	.	H	α-helix	trans	-69.2	-28.8	177	73.4	-75.7	-177.3	0	0	113.1	A1062 Q1068 C1069 K1070 Y1072 S1075 P1149 R1152	A1062-E1064 VanDerWaalsContact C-N 3.28Å; A1062-E1064 VanDerWaalsContact CB-CD 3.46Å; A1062-E1064 VanDerWaalsContact CB-OE1 3.24Å; A1062-E1064 WeakPolarHBondContact CB-OE1 3.3Å; A1062-E1064 VanDerWaalsContact CB-OE2 3.26Å; A1062-E1064 WeakPolarHBondContact CB-OE2 3.31Å; A1062-E1064 PolarHBondContact O-N 3.07Å; E1064-Q1068 CarbonylContact O-C 3.45Å; E1064-Q1068 WeakPolarHBondContact O-CA 3.26Å; E1064-Q1068 WeakPolarHBondContact O-CB 3.39Å; E1064-Q1068 PolarHBondContact O-N 3.34Å; E1064-C1069 PolarHBondContact O-N 2.69Å; E1064-K1070 PolarHBondContact O-N 3.26Å; E1064-Y1072 HydrophobicContact CG-CD2 3.92Å; E1064-Y1072 HydrophobicContact CG-CE2 3.89Å; E1064-S1075 PolarHBondContact OE1-OG 3.31Å; E1064-P1149 HydrophobicContact CG-CG 4.11Å; E1064-R1152 IonicContact OE1-CZ 3.56Å; E1064-R1152 IonicContact OE1-NH1 3.54Å; E1064-R1152 PolarHBondContact OE1-NH1 3.43Å; E1064-R1152 IonicContact OE1-NH2 2.66Å; E1064-R1152 PolarHBondContact OE1-NH2 3.19Å; E1064-R1152 IonicContact OE2-CZ 3.61Å; E1064-R1152 IonicContact OE2-NH1 2.76Å; E1064-R1152 IonicContact OE2-NH2 3.43Å; E1064-R1152 PolarHBondContact OE2-NH2 2.57Å
1065	C	91.6	Very high	89	Confident	5 Å²	5	36.1 Å²	36.1	3%	0.034	19%	0.194	C	C	.	.	H	α-helix	trans	-70.2	-40.2	173.7	-54.6	0	0	0	0	110.6	Y1061 A1062 P1063 C1069 K1070 F1071 S1075	Y1061-C1065 HydrophobicContact CD2-CB 4.14Å; Y1061-C1065 HydrophobicContact CG-CB 4.12Å; A1062-C1065 VanDerWaalsContact O-CB 3.31Å; A1062-C1065 WeakPolarHBondContact O-CB 3.41Å; A1062-C1065 PolarHBondContact O-N 3.35Å; P1063-C1065 VanDerWaalsContact C-N 3.32Å; P1063-C1065 PolarHBondContact O-N 3.24Å; C1065-C1069 VanDerWaalsContact O-CA 3.26Å; C1065-C1069 WeakPolarHBondContact O-CA 3.43Å; C1065-C1069 PolarHBondContact O-N 3.45Å; C1065-K1070 WeakPolarHBondContact CA-O 3.31Å; C1065-K1070 PolarHBondContact N-O 2.72Å; C1065-K1070 PolarHBondContact SG-O 2.85Å; C1065-F1071 HydrophobicContact CB-CD1 4.26Å; C1065-F1071 HydrophobicContact CB-CE1 3.8Å; C1065-F1071 HydrophobicContact CB-CE2 4.12Å; C1065-F1071 HydrophobicContact CB-CZ 3.72Å; C1065-S1075 WeakPolarHBondContact SG-CB 3.21Å; C1065-S1075 PolarHBondContact SG-OG 3.19Å
1066	L	88.6	Confident	90.6	Very high	22 Å²	22	29 Å²	29	12%	0.115	16%	0.156	C	C	.	.	H	α-helix	trans	-73.7	-35.9	180	-63	172.4	0	0	0	113.2	V1058 Y1061 A1062 P1063 I1114 L1117 V1118 L1121	V1058-L1066 HydrophobicContact CB-CD2 4.02Å; V1058-L1066 HydrophobicContact CG1-CD2 4.23Å; Y1061-L1066 HydrophobicContact CD2-CD2 4.06Å; Y1061-L1066 HydrophobicContact CG-CD2 4.45Å; A1062-L1066 PolarHBondContact O-N 2.86Å; A1062-L1066 VanDerWaalsContact O-N 3.14Å; P1063-L1066 PolarHBondContact O-N 3.05Å; L1066-I1114 HydrophobicContact CB-CG2 4.3Å; L1066-I1114 HydrophobicContact CD2-CG2 4.27Å; L1066-L1117 HydrophobicContact CD1-CD2 3.93Å; L1066-L1117 HydrophobicContact CD1-CG 4.21Å; L1066-V1118 HydrophobicContact CB-CG2 3.63Å; L1066-V1118 HydrophobicContact CD1-CG2 4.14Å; L1066-L1121 HydrophobicContact CD1-CD1 3.99Å
1067	T	87.3	Confident	91.7	Very high	69 Å²	69	27.3 Å²	27.3	42%	0.423	14%	0.144	S	C	.	.	H	α-helix	trans	-95.6	-36.4	-173.9	52.7	0	0	0	0	114.3	P1063 V1118	P1063-T1067 WeakPolarHBondContact O-CB 3.37Å; P1063-T1067 WeakPolarHBondContact O-CG2 3.29Å; P1063-T1067 PolarHBondContact O-N 2.93Å; P1063-T1067 PolarHBondContact O-OG1 3.23Å; T1067-V1118 HydrophobicContact CG2-CB 4.31Å; T1067-V1118 HydrophobicContact CG2-CG1 3.47Å; T1067-V1118 VanDerWaalsContact CG2-CG1 3.47Å; T1067-V1118 HydrophobicContact CG2-CG2 3.77Å
1068	Q	85.6	Confident	92.3	Very high	105 Å²	105	26.8 Å²	26.8	49%	0.491	14%	0.141	S	C	.	.	H	α-helix	trans	-117.1	-1.7	-172.7	-57.6	-179.9	-1.7	0	0	112.4	E1064 K1070	E1064-Q1068 CarbonylContact O-C 3.45Å; E1064-Q1068 WeakPolarHBondContact O-CA 3.26Å; E1064-Q1068 WeakPolarHBondContact O-CB 3.39Å; E1064-Q1068 PolarHBondContact O-N 3.34Å; Q1068-K1070 HydrophobicContact CB-CB 4.33Å; Q1068-K1070 HydrophobicContact CB-CD 4.2Å; Q1068-K1070 HydrophobicContact CB-CG 3.97Å; Q1068-K1070 PolarHBondContact O-N 2.91Å; Q1068-K1070 VanDerWaalsContact O-N 3.08Å
1069	C	88	Confident	92.7	Very high	56 Å²	56	25.6 Å²	25.6	38%	0.378	13%	0.134	S	C	.	.			trans	53.5	25.5	-172	-62.4	0	0	0	0	112.9	T1049 V1050 E1064 C1065	T1049-C1069 VanDerWaalsContact CA-O 3.27Å; T1049-C1069 WeakPolarHBondContact CA-O 3.34Å; T1049-C1069 HydrophobicContact CG2-CB 4.36Å; V1050-C1069 HydrophobicContact CB-CB 4.47Å; V1050-C1069 PolarHBondContact N-O 3.47Å; E1064-C1069 PolarHBondContact O-N 2.69Å; C1065-C1069 VanDerWaalsContact O-CA 3.26Å; C1065-C1069 WeakPolarHBondContact O-CA 3.43Å; C1065-C1069 PolarHBondContact O-N 3.45Å
1070	K	89.8	Confident	93	Very high	54 Å²	54	24.7 Å²	24.7	24%	0.235	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	131.7	-179.8	-69.5	-175.1	-172.9	169.8	0	110.4	Y1047 Y1048 E1064 C1065 Q1068 Y1072	Y1047-K1070 HydrophobicContact CD2-CB 4.37Å; Y1047-K1070 HydrophobicContact CD2-CD 3.97Å; Y1047-K1070 HydrophobicContact CD2-CG 3.96Å; Y1047-K1070 HydrophobicContact CE2-CD 3.93Å; Y1047-K1070 HydrophobicContact CE2-CG 4.15Å; Y1048-K1070 CarbonylContact O-C 3.43Å; Y1048-K1070 WeakPolarHBondContact O-CA 3.44Å; E1064-K1070 PolarHBondContact O-N 3.26Å; C1065-K1070 WeakPolarHBondContact CA-O 3.31Å; C1065-K1070 PolarHBondContact N-O 2.72Å; C1065-K1070 PolarHBondContact SG-O 2.85Å; Q1068-K1070 HydrophobicContact CB-CB 4.33Å; Q1068-K1070 HydrophobicContact CB-CD 4.2Å; Q1068-K1070 HydrophobicContact CB-CG 3.97Å; Q1068-K1070 PolarHBondContact O-N 2.91Å; Q1068-K1070 VanDerWaalsContact O-N 3.08Å; K1070-Y1072 HydrophobicContact CB-CE2 3.75Å; K1070-Y1072 HydrophobicContact CD-CE2 4.44Å; K1070-Y1072 WeakPolarHBondContact CD-OH 3.49Å
1071	F	90.8	Very high	93.1	Very high	5 Å²	5	23.5 Å²	23.5	2%	0.022	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	127.4	179.1	-69	-100.1	0	0	0	109.1	I1013 R1015 Y1047 Y1048 V1050 Y1061 C1065	I1013-F1071 HydrophobicContact CD1-CB 4.13Å; I1013-F1071 WeakPolarHBondContact CD1-O 3.5Å; I1013-F1071 HydrophobicContact CG2-CB 4.36Å; R1015-F1071 HydrophobicContact CB-CD1 4.2Å; R1015-F1071 HydrophobicContact CB-CE1 4.22Å; R1015-F1071 HydrophobicContact CG-CB 4.41Å; R1015-F1071 HydrophobicContact CG-CD1 3.6Å; R1015-F1071 HydrophobicContact CG-CE1 4.09Å; R1015-F1071 HydrophobicContact CG-CG 4.11Å; Y1047-F1071 CarbonylContact C-O 3.45Å; Y1047-F1071 WeakPolarHBondContact CA-O 3.42Å; Y1047-F1071 WeakPolarHBondContact CB-O 3.43Å; Y1048-F1071 PolarHBondContact N-O 3.02Å; Y1048-F1071 PolarHBondContact O-N 2.8Å; V1050-F1071 HydrophobicContact CB-CE2 4.13Å; V1050-F1071 HydrophobicContact CG2-CD2 3.52Å; V1050-F1071 HydrophobicContact CG2-CE2 3.21Å; V1050-F1071 HydrophobicContact CG2-CZ 4.05Å; Y1061-F1071 HydrophobicContact CD1-CE1 4.14Å; Y1061-F1071 HydrophobicContact CD2-CE1 4.38Å; Y1061-F1071 HydrophobicContact CD2-CZ 4.09Å; Y1061-F1071 AromaticContact CE1-CE1 3.73Å; Y1061-F1071 HydrophobicContact CE1-CE1 3.73Å; Y1061-F1071 HydrophobicContact CE1-CZ 4.15Å; Y1061-F1071 HydrophobicContact CE2-CE1 4.03Å; Y1061-F1071 AromaticContact CE2-CZ 3.59Å; Y1061-F1071 HydrophobicContact CE2-CZ 3.59Å; Y1061-F1071 HydrophobicContact CG-CE1 4.44Å; Y1061-F1071 AromaticContact CZ-CE1 3.68Å; Y1061-F1071 AromaticContact CZ-CZ 3.63Å; C1065-F1071 HydrophobicContact CB-CD1 4.26Å; C1065-F1071 HydrophobicContact CB-CE1 3.8Å; C1065-F1071 HydrophobicContact CB-CE2 4.12Å; C1065-F1071 HydrophobicContact CB-CZ 3.72Å
1072	Y	92.1	Very high	93.3	Very high	48 Å²	48	23 Å²	23	19%	0.188	12%	0.123	C	C	.	.			trans	-116.4	166.1	175.5	-59.5	-97.2	0	0	0	108.7	Y1047 E1064 K1070 A1074 S1075 P1149	Y1047-Y1072 AromaticContact CD1-CE1 3.92Å; Y1047-Y1072 HydrophobicContact CD1-CE1 3.92Å; Y1047-Y1072 AromaticContact CG-CE1 3.93Å; Y1047-Y1072 HydrophobicContact CG-CE1 3.93Å; Y1047-Y1072 AromaticContact CG-CZ 4Å; E1064-Y1072 HydrophobicContact CG-CD2 3.92Å; E1064-Y1072 HydrophobicContact CG-CE2 3.89Å; K1070-Y1072 HydrophobicContact CB-CE2 3.75Å; K1070-Y1072 HydrophobicContact CD-CE2 4.44Å; K1070-Y1072 WeakPolarHBondContact CD-OH 3.49Å; Y1072-A1074 PolarHBondContact O-N 2.6Å; Y1072-S1075 PolarHBondContact N-OG 3.49Å; Y1072-S1075 WeakPolarHBondContact O-CA 3.26Å; Y1072-S1075 WeakPolarHBondContact O-CB 3.27Å; Y1072-S1075 PolarHBondContact O-N 3.01Å; Y1072-S1075 PolarHBondContact O-OG 2.8Å; Y1072-P1149 HydrophobicContact CD2-CG 4.45Å
1073	L	92.6	Very high	93.5	Very high	61 Å²	61	23 Å²	23	32%	0.319	12%	0.123	S	C	.	.	H	α-helix	trans	-56.2	-35.8	165.4	-66	175.5	0	0	0	111.3	Y1012 I1013 L1041 S1075 D1076 V1077	Y1012-L1073 VanDerWaalsContact O-CD2 3.28Å; Y1012-L1073 WeakPolarHBondContact O-CD2 3.29Å; I1013-L1073 HydrophobicContact CG1-CD2 3.99Å; L1041-L1073 HydrophobicContact CD1-CD2 4.21Å; L1041-L1073 HydrophobicContact CD1-CG 4Å; L1073-S1075 PolarHBondContact O-N 3.49Å; L1073-D1076 PolarHBondContact O-N 2.86Å; L1073-V1077 PolarHBondContact O-N 3.37Å
1074	A	95.2	Very high	93.8	Very high	23 Å²	23	22.8 Å²	22.8	19%	0.19	12%	0.122	C	C	.	.	H	α-helix	trans	-68.7	-15.3	174.1	0	0	0	0	0	113.7	Y1072 V1077 W1078 P1149 R1152	Y1072-A1074 PolarHBondContact O-N 2.6Å; A1074-V1077 WeakPolarHBondContact O-CB 3.45Å; A1074-W1078 PolarHBondContact O-N 2.95Å; A1074-P1149 HydrophobicContact CB-CB 3.98Å; A1074-P1149 WeakPolarHBondContact CB-O 3.5Å; A1074-R1152 WeakPolarHBondContact O-CD 3.36Å; A1074-R1152 PolarHBondContact O-NH1 3.4Å
1075	S	95.6	Very high	94	Very high	1 Å²	1	22.7 Å²	22.7	1%	0.007	12%	0.121	C	C	.	.	H	α-helix	trans	-74.1	-37.4	172.2	-52.2	0	0	0	0	110.9	E1064 C1065 Y1072 L1073 V1077 W1078 S1079	E1064-S1075 PolarHBondContact OE1-OG 3.31Å; C1065-S1075 WeakPolarHBondContact SG-CB 3.21Å; C1065-S1075 PolarHBondContact SG-OG 3.19Å; Y1072-S1075 PolarHBondContact N-OG 3.49Å; Y1072-S1075 WeakPolarHBondContact O-CA 3.26Å; Y1072-S1075 WeakPolarHBondContact O-CB 3.27Å; Y1072-S1075 PolarHBondContact O-N 3.01Å; Y1072-S1075 PolarHBondContact O-OG 2.8Å; L1073-S1075 PolarHBondContact O-N 3.49Å; S1075-V1077 VanDerWaalsContact C-N 3.26Å; S1075-V1077 PolarHBondContact O-N 3.32Å; S1075-W1078 VanDerWaalsContact O-CB 3.31Å; S1075-W1078 WeakPolarHBondContact O-CB 3.49Å; S1075-W1078 PolarHBondContact O-N 3.19Å; S1075-W1078 VanDerWaalsContact O-N 3.1Å; S1075-S1079 PolarHBondContact O-N 3.28Å; S1075-S1079 PolarHBondContact O-OG 3.25Å
1076	D	96.8	Very high	94.3	Very high	3 Å²	3	23 Å²	23	2%	0.016	12%	0.122	C	C	.	.	H	α-helix	trans	-66.2	-29.1	172.9	-76.1	-23	0	0	0	112.2	M1004 I1013 H1014 R1015 L1073 W1078 S1079 F1080 F1155	M1004-D1076 HydrophobicContact CE-CB 3.61Å; M1004-D1076 WeakPolarHBondContact CE-OD2 3.43Å; I1013-D1076 WeakPolarHBondContact CA-OD2 3.29Å; I1013-D1076 VanDerWaalsContact CG2-OD2 3.23Å; I1013-D1076 WeakPolarHBondContact CG2-OD2 3.17Å; H1014-D1076 PolarHBondContact N-OD2 3.27Å; R1015-D1076 PolarHBondContact N-OD1 3.08Å; L1073-D1076 PolarHBondContact O-N 2.86Å; D1076-W1078 VanDerWaalsContact C-N 3.29Å; D1076-W1078 PolarHBondContact O-N 3.21Å; D1076-S1079 PolarHBondContact O-N 2.97Å; D1076-F1080 WeakPolarHBondContact O-CB 3.42Å; D1076-F1080 PolarHBondContact O-N 3.48Å; D1076-F1155 HydrophobicContact CB-CE2 4.07Å; D1076-F1155 HydrophobicContact CB-CZ 4.26Å
1077	V	98.1	Very high	94.6	Very high	5 Å²	5	22 Å²	22	3%	0.03	12%	0.117	C	C	.	.	H	α-helix	trans	-61.1	-39.8	171.5	174.3	0	0	0	0	111	L1073 A1074 S1075 F1080 G1081 C1144 R1152 I1153 F1155 L1158	L1073-V1077 PolarHBondContact O-N 3.37Å; A1074-V1077 WeakPolarHBondContact O-CB 3.45Å; S1075-V1077 VanDerWaalsContact C-N 3.26Å; S1075-V1077 PolarHBondContact O-N 3.32Å; V1077-F1080 WeakPolarHBondContact O-CB 3.47Å; V1077-F1080 PolarHBondContact O-N 3.33Å; V1077-G1081 PolarHBondContact O-N 3.47Å; V1077-C1144 HydrophobicContact CG1-CB 4.1Å; V1077-C1144 WeakPolarHBondContact O-CB 3.08Å; V1077-R1152 HydrophobicContact CG1-CB 4.22Å; V1077-I1153 HydrophobicContact CG1-CG2 4.29Å; V1077-I1153 WeakPolarHBondContact CG1-O 3.45Å; V1077-F1155 HydrophobicContact CG2-CD2 3.91Å; V1077-F1155 HydrophobicContact CG2-CE2 3.73Å; V1077-F1155 HydrophobicContact CG2-CG 4.43Å; V1077-F1155 HydrophobicContact CG2-CZ 4.13Å; V1077-L1158 HydrophobicContact CG1-CD1 4.28Å
1078	W	97.9	Very high	95	Very high	3 Å²	3	19.3 Å²	19.3	1%	0.011	10%	0.099	C	C	.	.	H	α-helix	trans	-62.5	-47.9	175.2	177.8	-73.7	0	0	0	110.7	Y1061 A1062 P1063 A1074 S1075 D1076 F1080 G1081 V1082 L1121 W1145	Y1061-W1078 PolarHBondContact O-NE1 3.26Å; A1062-W1078 HydrophobicContact CB-CB 3.73Å; A1062-W1078 HydrophobicContact CB-CD2 3.91Å; A1062-W1078 HydrophobicContact CB-CE3 4.25Å; A1062-W1078 HydrophobicContact CB-CG 3.67Å; P1063-W1078 VanDerWaalsContact CD-CZ3 3.48Å; P1063-W1078 HydrophobicContact CG-CH2 3.71Å; P1063-W1078 HydrophobicContact CG-CZ2 4.29Å; P1063-W1078 HydrophobicContact CG-CZ3 3.88Å; A1074-W1078 PolarHBondContact O-N 2.95Å; S1075-W1078 VanDerWaalsContact O-CB 3.31Å; S1075-W1078 WeakPolarHBondContact O-CB 3.49Å; S1075-W1078 PolarHBondContact O-N 3.19Å; S1075-W1078 VanDerWaalsContact O-N 3.1Å; D1076-W1078 VanDerWaalsContact C-N 3.29Å; D1076-W1078 PolarHBondContact O-N 3.21Å; W1078-F1080 PolarHBondContact O-N 3.14Å; W1078-G1081 WeakPolarHBondContact O-CA 3.32Å; W1078-G1081 PolarHBondContact O-N 3.42Å; W1078-V1082 PolarHBondContact O-N 3.16Å; W1078-L1121 HydrophobicContact CH2-CD1 4.45Å; W1078-L1121 HydrophobicContact CH2-CD2 4.06Å; W1078-L1121 HydrophobicContact CZ2-CD1 3.95Å; W1078-L1121 HydrophobicContact CZ2-CD2 3.8Å; W1078-L1121 HydrophobicContact CZ2-CG 4.46Å; W1078-W1145 AromaticContact CD2-CD1 3.81Å; W1078-W1145 AromaticContact CE2-CD1 3.89Å; W1078-W1145 VanDerWaalsContact CE3-CA 3.5Å; W1078-W1145 HydrophobicContact CE3-CB 4.13Å; W1078-W1145 HydrophobicContact CH2-CB 4.14Å; W1078-W1145 VanDerWaalsContact CZ3-C 3.47Å; W1078-W1145 HydrophobicContact CZ3-CB 3.91Å; W1078-W1145 WeakPolarHBondContact CZ3-O 3.11Å; W1078-W1145 PolarHBondContact O-NE1 3.27Å
1079	S	97.6	Very high	95.4	Very high	4 Å²	4	14.8 Å²	14.8	3%	0.028	8%	0.079	C	C	.	.	H	α-helix	trans	-59.6	-36.6	176.6	-54.3	0	0	0	0	111.9	W1060 S1075 D1076 V1082 T1083	W1060-S1079 WeakPolarHBondContact O-CA 3.48Å; W1060-S1079 WeakPolarHBondContact O-CB 3.27Å; W1060-S1079 PolarHBondContact O-OG 3.02Å; S1075-S1079 PolarHBondContact O-N 3.28Å; S1075-S1079 PolarHBondContact O-OG 3.25Å; D1076-S1079 PolarHBondContact O-N 2.97Å; S1079-V1082 PolarHBondContact O-N 3.14Å; S1079-T1083 PolarHBondContact O-N 3.42Å; S1079-T1083 PolarHBondContact O-OG1 2.94Å
1080	F	98.4	Very high	95.6	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-62.4	-42.4	171.5	175.4	-104	0	0	0	112.3	C997 I1000 C1001 L1017 D1076 V1077 W1078 V1082 T1083 M1084 F1155 L1158 L1162	C997-F1080 HydrophobicContact CB-CE2 4.49Å; C997-F1080 HydrophobicContact CB-CZ 4.06Å; I1000-F1080 HydrophobicContact CB-CD2 4.44Å; I1000-F1080 HydrophobicContact CB-CE2 4.05Å; I1000-F1080 HydrophobicContact CG2-CD2 3.72Å; I1000-F1080 HydrophobicContact CG2-CE2 3.84Å; C1001-F1080 WeakPolarHBondContact SG-CE1 3.28Å; C1001-F1080 WeakPolarHBondContact SG-CZ 3.47Å; L1017-F1080 HydrophobicContact CD2-CB 3.71Å; L1017-F1080 HydrophobicContact CD2-CD2 4.24Å; L1017-F1080 HydrophobicContact CD2-CG 4.48Å; D1076-F1080 WeakPolarHBondContact O-CB 3.42Å; D1076-F1080 PolarHBondContact O-N 3.48Å; V1077-F1080 WeakPolarHBondContact O-CB 3.47Å; V1077-F1080 PolarHBondContact O-N 3.33Å; W1078-F1080 PolarHBondContact O-N 3.14Å; F1080-V1082 PolarHBondContact O-N 3.22Å; F1080-T1083 CarbonylContact O-C 3.55Å; F1080-T1083 WeakPolarHBondContact O-CB 3.25Å; F1080-T1083 PolarHBondContact O-N 2.97Å; F1080-T1083 VanDerWaalsContact O-N 3.12Å; F1080-M1084 HydrophobicContact CE1-CB 4.49Å; F1080-M1084 HydrophobicContact CE1-SD 4.31Å; F1080-M1084 HydrophobicContact CZ-CB 4.46Å; F1080-M1084 VanDerWaalsContact O-CB 3.32Å; F1080-M1084 WeakPolarHBondContact O-CB 3.49Å; F1080-M1084 PolarHBondContact O-N 2.69Å; F1080-F1155 HydrophobicContact CB-CE1 3.57Å; F1080-F1155 HydrophobicContact CB-CZ 3.87Å; F1080-F1155 HydrophobicContact CD1-CE1 4.15Å; F1080-F1155 HydrophobicContact CD2-CE1 4.13Å; F1080-F1155 AromaticContact CG-CE1 3.67Å; F1080-F1155 HydrophobicContact CG-CE1 3.67Å; F1080-F1155 HydrophobicContact CG-CZ 4.45Å; F1080-L1158 HydrophobicContact CD1-CD1 3.68Å; F1080-L1158 HydrophobicContact CE1-CD1 3.82Å; F1080-L1158 HydrophobicContact CE1-CD2 4.23Å; F1080-L1158 HydrophobicContact CE1-CG 4.48Å; F1080-L1162 HydrophobicContact CE1-CD1 4.42Å; F1080-L1162 HydrophobicContact CZ-CD1 4.16Å
1081	G	97.8	Very high	95.7	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-57.1	-39.6	174.6	0	0	0	0	0	112.5	V1077 W1078 Y1085 W1145	V1077-G1081 PolarHBondContact O-N 3.47Å; W1078-G1081 WeakPolarHBondContact O-CA 3.32Å; W1078-G1081 PolarHBondContact O-N 3.42Å; G1081-Y1085 PolarHBondContact O-N 2.67Å; G1081-Y1085 VanDerWaalsContact O-N 3.14Å; G1081-W1145 VanDerWaalsContact O-CZ2 3.23Å; G1081-W1145 WeakPolarHBondContact O-CZ2 3.29Å
1082	V	97.9	Very high	95.7	Very high	1 Å²	1	14.5 Å²	14.5	1%	0.006	8%	0.075	C	C	.	.	H	α-helix	trans	-69.7	-41.9	174.5	-174.1	0	0	0	0	111.4	W1060 W1078 S1079 F1080 M1084 Y1085 E1086 P1097 L1127 W1145	W1060-V1082 HydrophobicContact CD2-CG1 4.07Å; W1060-V1082 HydrophobicContact CG-CB 4.2Å; W1060-V1082 HydrophobicContact CG-CG1 3.87Å; W1078-V1082 PolarHBondContact O-N 3.16Å; S1079-V1082 PolarHBondContact O-N 3.14Å; F1080-V1082 PolarHBondContact O-N 3.22Å; V1082-M1084 VanDerWaalsContact C-N 3.3Å; V1082-M1084 PolarHBondContact O-N 3.26Å; V1082-Y1085 VanDerWaalsContact O-CB 3.31Å; V1082-Y1085 WeakPolarHBondContact O-CB 3.34Å; V1082-Y1085 PolarHBondContact O-N 3.37Å; V1082-Y1085 VanDerWaalsContact O-N 3.13Å; V1082-E1086 PolarHBondContact O-N 3.11Å; V1082-P1097 HydrophobicContact CG1-CB 3.73Å; V1082-P1097 HydrophobicContact CG1-CG 3.61Å; V1082-L1127 HydrophobicContact CG1-CD1 4.27Å; V1082-W1145 HydrophobicContact CG2-CZ2 4.43Å
1083	T	97.8	Very high	95.4	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-60.7	-40.2	174.8	-55.6	0	0	0	0	111.7	I1000 L1017 A1018 A1019 S1079 F1080 Y1085 E1086 I1087	I1000-T1083 HydrophobicContact CD1-CG2 4.37Å; L1017-T1083 PolarHBondContact O-OG1 3.15Å; L1017-T1083 VanDerWaalsContact O-OG1 3.04Å; A1018-T1083 WeakPolarHBondContact CA-OG1 3.43Å; A1019-T1083 HydrophobicContact CB-CG2 4.49Å; S1079-T1083 PolarHBondContact O-N 3.42Å; S1079-T1083 PolarHBondContact O-OG1 2.94Å; F1080-T1083 CarbonylContact O-C 3.55Å; F1080-T1083 WeakPolarHBondContact O-CB 3.25Å; F1080-T1083 PolarHBondContact O-N 2.97Å; F1080-T1083 VanDerWaalsContact O-N 3.12Å; T1083-Y1085 VanDerWaalsContact C-N 3.3Å; T1083-Y1085 PolarHBondContact O-N 3.42Å; T1083-E1086 WeakPolarHBondContact CA-OE2 3.27Å; T1083-E1086 WeakPolarHBondContact O-CB 3.34Å; T1083-E1086 PolarHBondContact O-N 3.41Å; T1083-I1087 HydrophobicContact CG2-CD1 4.07Å; T1083-I1087 WeakPolarHBondContact O-CG1 3.43Å; T1083-I1087 PolarHBondContact O-N 3.13Å
1084	M	97.4	Very high	95	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-62.9	-39.1	176.2	-165.8	-174	-179.7	0	0	110.9	F1080 V1082 I1087 I1088 V1137 M1141 L1162	F1080-M1084 HydrophobicContact CE1-CB 4.49Å; F1080-M1084 HydrophobicContact CE1-SD 4.31Å; F1080-M1084 HydrophobicContact CZ-CB 4.46Å; F1080-M1084 VanDerWaalsContact O-CB 3.32Å; F1080-M1084 WeakPolarHBondContact O-CB 3.49Å; F1080-M1084 PolarHBondContact O-N 2.69Å; V1082-M1084 VanDerWaalsContact C-N 3.3Å; V1082-M1084 PolarHBondContact O-N 3.26Å; M1084-I1087 PolarHBondContact O-N 3.17Å; M1084-I1088 VanDerWaalsContact O-CG1 3.28Å; M1084-I1088 WeakPolarHBondContact O-CG1 3.49Å; M1084-I1088 PolarHBondContact O-N 2.7Å; M1084-V1137 HydrophobicContact CE-CB 4.49Å; M1084-V1137 HydrophobicContact CE-CG1 3.34Å; M1084-M1141 HydrophobicContact CB-CE 4.24Å; M1084-M1141 HydrophobicContact CB-CG 4.38Å; M1084-M1141 HydrophobicContact CE-CE 4.46Å; M1084-M1141 HydrophobicContact CG-CE 3.79Å; M1084-M1141 HydrophobicContact CG-CG 4.24Å; M1084-M1141 WeakPolarHBondContact O-CE 3.05Å; M1084-M1141 HydrophobicContact SD-CE 4.2Å; M1084-M1141 HydrophobicContact SD-CG 3.71Å; M1084-L1162 HydrophobicContact CE-CD2 3.44Å; M1084-L1162 VanDerWaalsContact CE-CD2 3.44Å
1085	Y	97.1	Very high	94.7	Very high	11 Å²	11	20 Å²	20	4%	0.043	11%	0.114	C	C	.	.	H	α-helix	trans	-61.1	-46.2	172.6	174.6	-87.4	0	0	0	111.4	G1081 V1082 T1083 I1087 I1088 T1089 K1095 P1097 C1100 L1127 A1128 P1130 W1145	G1081-Y1085 PolarHBondContact O-N 2.67Å; G1081-Y1085 VanDerWaalsContact O-N 3.14Å; V1082-Y1085 VanDerWaalsContact O-CB 3.31Å; V1082-Y1085 WeakPolarHBondContact O-CB 3.34Å; V1082-Y1085 PolarHBondContact O-N 3.37Å; V1082-Y1085 VanDerWaalsContact O-N 3.13Å; T1083-Y1085 VanDerWaalsContact C-N 3.3Å; T1083-Y1085 PolarHBondContact O-N 3.42Å; Y1085-I1087 VanDerWaalsContact C-N 3.32Å; Y1085-I1087 PolarHBondContact O-N 3.24Å; Y1085-I1088 PolarHBondContact O-N 2.82Å; Y1085-T1089 HydrophobicContact CD1-CG2 4.38Å; Y1085-T1089 HydrophobicContact CE1-CG2 3.99Å; Y1085-T1089 HydrophobicContact CE2-CG2 4.19Å; Y1085-T1089 WeakPolarHBondContact O-CG2 3.45Å; Y1085-T1089 PolarHBondContact O-N 2.82Å; Y1085-T1089 PolarHBondContact O-OG1 3Å; Y1085-T1089 VanDerWaalsContact O-OG1 3.06Å; Y1085-K1095 VanDerWaalsContact CE1-O 3.26Å; Y1085-K1095 WeakPolarHBondContact CE1-O 3.34Å; Y1085-P1097 HydrophobicContact CD1-CG 4.09Å; Y1085-P1097 HydrophobicContact CE1-CG 4.45Å; Y1085-C1100 PolarHBondContact OH-SG 2.7Å; Y1085-L1127 HydrophobicContact CD1-CD1 3.76Å; Y1085-L1127 HydrophobicContact CD2-CB 4.01Å; Y1085-L1127 HydrophobicContact CD2-CD1 4.22Å; Y1085-L1127 HydrophobicContact CE1-CD1 4.11Å; Y1085-L1127 HydrophobicContact CE2-CB 3.94Å; Y1085-L1127 HydrophobicContact CG-CB 4.46Å; Y1085-L1127 HydrophobicContact CG-CD1 3.82Å; Y1085-A1128 VanDerWaalsContact CE2-O 3.31Å; Y1085-A1128 WeakPolarHBondContact CE2-O 3.49Å; Y1085-P1130 HydrophobicContact CD2-CG 3.61Å; Y1085-P1130 HydrophobicContact CE2-CG 3.59Å; Y1085-W1145 HydrophobicContact CD2-CH2 4.45Å
1086	E	97.1	Very high	94.4	Very high	13 Å²	13	21.4 Å²	21.4	6%	0.061	12%	0.124	C	C	.	.	H	α-helix	trans	-57.9	-43.6	175	-63.4	178.3	95.6	0	0	112.1	A1019 W1060 V1082 T1083 T1089 Y1090 C1091 P1097	A1019-E1086 HydrophobicContact CB-CB 3.91Å; A1019-E1086 HydrophobicContact CB-CG 4.46Å; A1019-E1086 PolarHBondContact N-OE2 3.47Å; W1060-E1086 VanDerWaalsContact CZ2-CD 3.46Å; W1060-E1086 HydrophobicContact CZ2-CG 4.25Å; W1060-E1086 VanDerWaalsContact CZ2-OE1 3.31Å; W1060-E1086 WeakPolarHBondContact CZ2-OE1 3.48Å; W1060-E1086 PolarHBondContact NE1-OE2 3.15Å; V1082-E1086 PolarHBondContact O-N 3.11Å; T1083-E1086 WeakPolarHBondContact CA-OE2 3.27Å; T1083-E1086 WeakPolarHBondContact O-CB 3.34Å; T1083-E1086 PolarHBondContact O-N 3.41Å; E1086-T1089 PolarHBondContact O-N 3.38Å; E1086-T1089 PolarHBondContact O-OG1 3.08Å; E1086-T1089 VanDerWaalsContact O-OG1 3.12Å; E1086-Y1090 PolarHBondContact O-N 2.76Å; E1086-C1091 PolarHBondContact O-N 2.97Å; E1086-P1097 HydrophobicContact CG-CG 3.66Å
1087	I	96.4	Very high	94.2	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-63.9	-45.6	-179.8	-68.9	167.5	0	0	0	110.4	L977 L981 L993 I1000 T1083 M1084 Y1085 T1089 Y1090	L977-I1087 HydrophobicContact CD1-CD1 4.14Å; L977-I1087 HydrophobicContact CD1-CG1 4.24Å; L981-I1087 HydrophobicContact CD1-CB 4.3Å; L981-I1087 HydrophobicContact CD1-CG1 4.21Å; L981-I1087 HydrophobicContact CD1-CG2 4.24Å; L993-I1087 HydrophobicContact CB-CG2 3.94Å; L993-I1087 HydrophobicContact CD2-CG2 3.78Å; L993-I1087 HydrophobicContact CG-CG2 4.37Å; I1000-I1087 HydrophobicContact CD1-CD1 3.46Å; I1000-I1087 VanDerWaalsContact CD1-CD1 3.46Å; T1083-I1087 HydrophobicContact CG2-CD1 4.07Å; T1083-I1087 WeakPolarHBondContact O-CG1 3.43Å; T1083-I1087 PolarHBondContact O-N 3.13Å; M1084-I1087 PolarHBondContact O-N 3.17Å; Y1085-I1087 VanDerWaalsContact C-N 3.32Å; Y1085-I1087 PolarHBondContact O-N 3.24Å; I1087-T1089 VanDerWaalsContact C-N 3.32Å; I1087-T1089 PolarHBondContact O-N 3.04Å; I1087-Y1090 PolarHBondContact O-N 3.14Å
1088	I	95.3	Very high	93.7	Very high	12 Å²	12	25.7 Å²	25.7	6%	0.062	15%	0.145	C	C	.	.	H	α-helix	trans	-69.1	-29.7	-179.6	-64.9	-62.6	0	0	0	112.3	L990 L993 M1084 Y1085 Y1090 P1130 C1133 V1137 M1141	L990-I1088 HydrophobicContact CD1-CD1 3.88Å; L993-I1088 HydrophobicContact CB-CD1 4.29Å; L993-I1088 HydrophobicContact CD1-CD1 4.17Å; M1084-I1088 VanDerWaalsContact O-CG1 3.28Å; M1084-I1088 WeakPolarHBondContact O-CG1 3.49Å; M1084-I1088 PolarHBondContact O-N 2.7Å; Y1085-I1088 PolarHBondContact O-N 2.82Å; I1088-Y1090 WeakPolarHBondContact O-CD2 3.37Å; I1088-Y1090 PolarHBondContact O-N 3.29Å; I1088-P1130 HydrophobicContact CG2-CB 3.97Å; I1088-P1130 HydrophobicContact CG2-CG 3.97Å; I1088-C1133 HydrophobicContact CG2-CB 3.83Å; I1088-V1137 HydrophobicContact CD1-CG1 4.09Å; I1088-V1137 HydrophobicContact CG1-CG1 4.2Å; I1088-M1141 HydrophobicContact CB-CE 3.95Å; I1088-M1141 HydrophobicContact CG1-CE 3.54Å; I1088-M1141 HydrophobicContact CG2-CE 4.49Å
1089	T	93.4	Very high	93.3	Very high	11 Å²	11	27.7 Å²	27.7	7%	0.067	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.2	4.8	172.1	58.4	0	0	0	0	113.4	Y1085 E1086 I1087 C1091 D1092 K1095 P1130	Y1085-T1089 HydrophobicContact CD1-CG2 4.38Å; Y1085-T1089 HydrophobicContact CE1-CG2 3.99Å; Y1085-T1089 HydrophobicContact CE2-CG2 4.19Å; Y1085-T1089 WeakPolarHBondContact O-CG2 3.45Å; Y1085-T1089 PolarHBondContact O-N 2.82Å; Y1085-T1089 PolarHBondContact O-OG1 3Å; Y1085-T1089 VanDerWaalsContact O-OG1 3.06Å; E1086-T1089 PolarHBondContact O-N 3.38Å; E1086-T1089 PolarHBondContact O-OG1 3.08Å; E1086-T1089 VanDerWaalsContact O-OG1 3.12Å; I1087-T1089 VanDerWaalsContact C-N 3.32Å; I1087-T1089 PolarHBondContact O-N 3.04Å; T1089-C1091 PolarHBondContact O-N 2.81Å; T1089-D1092 WeakPolarHBondContact O-CB 3.35Å; T1089-D1092 PolarHBondContact O-N 2.79Å; T1089-K1095 HydrophobicContact CG2-CB 4.28Å; T1089-P1130 HydrophobicContact CG2-CB 3.81Å; T1089-P1130 HydrophobicContact CG2-CG 3.9Å
1090	Y	92.8	Very high	92.9	Very high	45 Å²	45	28.6 Å²	28.6	18%	0.176	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.8	32	-175.1	-59.8	-100.3	0	0	0	113	P982 K985 T988 L993 E1086 I1087 I1088 D1092	P982-Y1090 WeakPolarHBondContact CD-O 3.5Å; P982-Y1090 VanDerWaalsContact CG-O 3.3Å; P982-Y1090 WeakPolarHBondContact CG-O 3.31Å; K985-Y1090 HydrophobicContact CB-CD1 3.93Å; K985-Y1090 HydrophobicContact CB-CE1 4.39Å; K985-Y1090 HydrophobicContact CB-CG 4.33Å; K985-Y1090 HydrophobicContact CD-CD1 4.45Å; K985-Y1090 HydrophobicContact CD-CD2 4.28Å; K985-Y1090 HydrophobicContact CD-CG 4.07Å; K985-Y1090 HydrophobicContact CG-CD1 3.66Å; K985-Y1090 HydrophobicContact CG-CD2 4.15Å; K985-Y1090 HydrophobicContact CG-CE1 3.92Å; K985-Y1090 HydrophobicContact CG-CE2 4.41Å; K985-Y1090 HydrophobicContact CG-CG 3.77Å; T988-Y1090 HydrophobicContact CG2-CE1 4.34Å; T988-Y1090 PolarHBondContact O-OH 3.32Å; T988-Y1090 VanDerWaalsContact O-OH 3.11Å; L993-Y1090 HydrophobicContact CD1-CE1 3.95Å; L993-Y1090 HydrophobicContact CD1-CE2 3.96Å; L993-Y1090 HydrophobicContact CD2-CD1 4.35Å; L993-Y1090 HydrophobicContact CD2-CE1 4.11Å; L993-Y1090 HydrophobicContact CG-CE1 4.37Å; E1086-Y1090 PolarHBondContact O-N 2.76Å; I1087-Y1090 PolarHBondContact O-N 3.14Å; I1088-Y1090 WeakPolarHBondContact O-CD2 3.37Å; I1088-Y1090 PolarHBondContact O-N 3.29Å; Y1090-D1092 PolarHBondContact O-N 2.82Å
1091	C	92.4	Very high	92.5	Very high	17 Å²	17	28.9 Å²	28.9	12%	0.115	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.1	32.7	-176.2	-58.2	0	0	0	0	113.9	P982 E1086 T1089 S1093	P982-C1091 HydrophobicContact CG-CB 4.06Å; E1086-C1091 PolarHBondContact O-N 2.97Å; T1089-C1091 PolarHBondContact O-N 2.81Å; C1091-S1093 PolarHBondContact O-N 2.89Å
1092	D	89.4	Confident	92	Very high	47 Å²	47	30.8 Å²	30.8	25%	0.251	18%	0.175	S	C	.	.			trans	-58.4	122.1	176.1	-171.6	-32.6	0	0	0	110.6	T1089 Y1090 S1094 K1095 S1096	T1089-D1092 WeakPolarHBondContact O-CB 3.35Å; T1089-D1092 PolarHBondContact O-N 2.79Å; Y1090-D1092 PolarHBondContact O-N 2.82Å; D1092-S1094 VanDerWaalsContact CG-OG 3.28Å; D1092-S1094 PolarHBondContact O-N 3.44Å; D1092-S1094 WeakPolarHBondContact OD1-CB 3.49Å; D1092-S1094 PolarHBondContact OD1-N 2.81Å; D1092-S1094 PolarHBondContact OD1-OG 2.85Å; D1092-K1095 HydrophobicContact CB-CB 4.4Å; D1092-K1095 CarbonylContact O-C 3.57Å; D1092-K1095 VanDerWaalsContact O-C 3.29Å; D1092-K1095 PolarHBondContact O-N 2.83Å; D1092-S1096 PolarHBondContact O-N 2.84Å; D1092-S1096 VanDerWaalsContact O-N 3.14Å
1093	S	85.4	Confident	91.5	Very high	102 Å²	102	36.9 Å²	36.9	71%	0.713	21%	0.208	S	C	*	.	G	3₁₀ helix	trans	-61.5	-30.3	-177.2	56.5	0	0	0	0	113.1	C1091 K1095 T1099	C1091-S1093 PolarHBondContact O-N 2.89Å; S1093-K1095 VanDerWaalsContact C-N 3.28Å; S1093-K1095 PolarHBondContact O-N 3.48Å; S1093-T1099 PolarHBondContact O-OG1 2.97Å
1094	S	85.6	Confident	91	Very high	71 Å²	71	40.5 Å²	40.5	50%	0.497	23%	0.226	S	C	.	.	G	3₁₀ helix	trans	-70.8	-26	176.5	69.2	0	0	0	0	112.7	D1092	D1092-S1094 VanDerWaalsContact CG-OG 3.28Å; D1092-S1094 PolarHBondContact O-N 3.44Å; D1092-S1094 WeakPolarHBondContact OD1-CB 3.49Å; D1092-S1094 PolarHBondContact OD1-N 2.81Å; D1092-S1094 PolarHBondContact OD1-OG 2.85Å
1095	K	87.4	Confident	90.4	Very high	73 Å²	73	41.1 Å²	41.1	32%	0.317	23%	0.229	S	C	.	.	G	3₁₀ helix	trans	-113.9	29.3	-179.5	-57.7	-178.5	-177.4	-177.6	0	111.6	Y1085 T1089 D1092 S1093 E1131	Y1085-K1095 VanDerWaalsContact CE1-O 3.26Å; Y1085-K1095 WeakPolarHBondContact CE1-O 3.34Å; T1089-K1095 HydrophobicContact CG2-CB 4.28Å; D1092-K1095 HydrophobicContact CB-CB 4.4Å; D1092-K1095 CarbonylContact O-C 3.57Å; D1092-K1095 VanDerWaalsContact O-C 3.29Å; D1092-K1095 PolarHBondContact O-N 2.83Å; S1093-K1095 VanDerWaalsContact C-N 3.28Å; S1093-K1095 PolarHBondContact O-N 3.48Å; K1095-E1131 IonicContact NZ-OE2 3.53Å; K1095-E1131 PolarHBondContact NZ-OE2 3.1Å
1096	S	89.8	Confident	89.4	Confident	31 Å²	31	42.1 Å²	42.1	22%	0.217	24%	0.242	C	C	.	.			trans	-70.8	148.8	178.4	86.4	0	0	0	0	111	D1092 M1098 T1099 C1100	D1092-S1096 PolarHBondContact O-N 2.84Å; D1092-S1096 VanDerWaalsContact O-N 3.14Å; S1096-M1098 PolarHBondContact O-N 2.79Å; S1096-T1099 PolarHBondContact O-N 2.93Å; S1096-T1099 PolarHBondContact OG-N 2.9Å; S1096-T1099 VanDerWaalsContact OG-N 3.15Å; S1096-T1099 PolarHBondContact OG-OG1 3.43Å; S1096-C1100 PolarHBondContact O-N 2.78Å; S1096-C1100 PolarHBondContact O-SG 3.33Å; S1096-C1100 VanDerWaalsContact O-SG 3.41Å
1097	P	92	Very high	88.1	Confident	1 Å²	1	53.2 Å²	53.2	1%	0.006	28%	0.284	C	S	.	.	H	α-helix	trans	-51.9	-41.1	177.3	-29.6	36.2	0	0	0	113.1	W1060 V1082 Y1085 E1086 C1100 F1101 L1127	W1060-P1097 HydrophobicContact CH2-CB 4.1Å; W1060-P1097 HydrophobicContact CH2-CG 4.17Å; W1060-P1097 HydrophobicContact CZ2-CB 4.01Å; W1060-P1097 HydrophobicContact CZ2-CG 3.66Å; V1082-P1097 HydrophobicContact CG1-CB 3.73Å; V1082-P1097 HydrophobicContact CG1-CG 3.61Å; Y1085-P1097 HydrophobicContact CD1-CG 4.09Å; Y1085-P1097 HydrophobicContact CE1-CG 4.45Å; E1086-P1097 HydrophobicContact CG-CG 3.66Å; P1097-C1100 PolarHBondContact O-N 2.81Å; P1097-F1101 WeakPolarHBondContact O-CB 3.29Å; P1097-F1101 WeakPolarHBondContact O-CD2 3.38Å; P1097-F1101 PolarHBondContact O-N 2.96Å; P1097-L1127 HydrophobicContact CB-CD1 4.19Å; P1097-L1127 HydrophobicContact CG-CD1 4.45Å
1098	M	88.2	Confident	86.7	Confident	97 Å²	97	54.1 Å²	54.1	48%	0.478	29%	0.291	S	S	.	.	H	α-helix	trans	-60.6	-50.8	176.2	175.9	173.8	-177.2	0	0	111.8	F1059 S1096 C1100 F1101 L1102	F1059-M1098 HydrophobicContact CD2-CB 3.88Å; F1059-M1098 HydrophobicContact CD2-CG 3.94Å; F1059-M1098 HydrophobicContact CE2-CB 4.03Å; F1059-M1098 HydrophobicContact CE2-CE 4.32Å; F1059-M1098 HydrophobicContact CE2-CG 3.54Å; F1059-M1098 HydrophobicContact CE2-SD 4.09Å; F1059-M1098 HydrophobicContact CG-CB 4.35Å; F1059-M1098 HydrophobicContact CZ-CG 4Å; S1096-M1098 PolarHBondContact O-N 2.79Å; M1098-C1100 PolarHBondContact O-N 3Å; M1098-F1101 PolarHBondContact O-N 3.32Å; M1098-L1102 HydrophobicContact CE-CD1 3.85Å; M1098-L1102 HydrophobicContact CG-CD1 3.76Å; M1098-L1102 HydrophobicContact CG-CG 4.42Å; M1098-L1102 VanDerWaalsContact O-CB 3.31Å; M1098-L1102 WeakPolarHBondContact O-CB 3.5Å; M1098-L1102 VanDerWaalsContact O-CG 3.24Å; M1098-L1102 WeakPolarHBondContact O-CG 3.36Å; M1098-L1102 PolarHBondContact O-N 2.79Å
1099	T	88.9	Confident	85.3	Confident	46 Å²	46	62 Å²	62	28%	0.282	33%	0.328	S	S	.	.	H	α-helix	trans	-57.7	-50.2	178.4	-49.7	0	0	0	0	110.4	S1093 S1096 F1101 L1102 D1103	S1093-T1099 PolarHBondContact O-OG1 2.97Å; S1096-T1099 PolarHBondContact O-N 2.93Å; S1096-T1099 PolarHBondContact OG-N 2.9Å; S1096-T1099 VanDerWaalsContact OG-N 3.15Å; S1096-T1099 PolarHBondContact OG-OG1 3.43Å; T1099-F1101 PolarHBondContact O-N 3.14Å; T1099-L1102 PolarHBondContact O-N 2.93Å; T1099-D1103 VanDerWaalsContact O-CG 3.31Å; T1099-D1103 PolarHBondContact O-N 2.88Å
1100	C	90.9	Very high	84.1	Confident	23 Å²	23	64.2 Å²	64.2	16%	0.155	35%	0.352	C	S	.	.	H	α-helix	trans	-64.3	-40.6	-177.7	-63.9	0	0	0	0	113.1	Y1085 S1096 P1097 M1098 M1104 L1127	Y1085-C1100 PolarHBondContact OH-SG 2.7Å; S1096-C1100 PolarHBondContact O-N 2.78Å; S1096-C1100 PolarHBondContact O-SG 3.33Å; S1096-C1100 VanDerWaalsContact O-SG 3.41Å; P1097-C1100 PolarHBondContact O-N 2.81Å; M1098-C1100 PolarHBondContact O-N 3Å; C1100-M1104 WeakPolarHBondContact O-CG 3.46Å; C1100-M1104 PolarHBondContact O-N 2.97Å; C1100-L1127 HydrophobicContact CB-CD2 3.54Å
1101	F	89.4	Confident	83.1	Confident	6 Å²	6	68.6 Å²	68.6	3%	0.026	37%	0.374	C	S	.	.	H	α-helix	trans	-70.1	-38.7	176	-80.2	-59.1	0	0	0	112.1	F1059 P1097 M1098 T1099 D1103 M1104 I1105 L1117 L1121 L1127	F1059-F1101 HydrophobicContact CB-CD2 4.2Å; F1059-F1101 HydrophobicContact CD1-CB 3.73Å; F1059-F1101 AromaticContact CD1-CD2 3.97Å; F1059-F1101 HydrophobicContact CD1-CD2 3.97Å; F1059-F1101 HydrophobicContact CD1-CG 4.18Å; F1059-F1101 HydrophobicContact CE1-CB 3.95Å; P1097-F1101 WeakPolarHBondContact O-CB 3.29Å; P1097-F1101 WeakPolarHBondContact O-CD2 3.38Å; P1097-F1101 PolarHBondContact O-N 2.96Å; M1098-F1101 PolarHBondContact O-N 3.32Å; T1099-F1101 PolarHBondContact O-N 3.14Å; F1101-D1103 VanDerWaalsContact C-N 3.31Å; F1101-D1103 PolarHBondContact O-N 3.22Å; F1101-M1104 HydrophobicContact CD1-SD 4.25Å; F1101-M1104 WeakPolarHBondContact O-CB 3.41Å; F1101-M1104 PolarHBondContact O-N 3.41Å; F1101-M1104 VanDerWaalsContact O-N 3.1Å; F1101-I1105 VanDerWaalsContact O-CG1 3.3Å; F1101-I1105 WeakPolarHBondContact O-CG1 3.39Å; F1101-I1105 PolarHBondContact O-N 3.44Å; F1101-L1117 HydrophobicContact CB-CD1 4.1Å; F1101-L1117 HydrophobicContact CD1-CD1 3.51Å; F1101-L1117 HydrophobicContact CD2-CD1 4.33Å; F1101-L1117 HydrophobicContact CE1-CD1 3.94Å; F1101-L1117 HydrophobicContact CG-CD1 3.74Å; F1101-L1121 HydrophobicContact CE1-CD2 4.06Å; F1101-L1121 HydrophobicContact CZ-CD2 4.32Å; F1101-L1127 HydrophobicContact CD2-CD2 4.03Å; F1101-L1127 HydrophobicContact CE1-CD2 4.42Å; F1101-L1127 HydrophobicContact CE1-CG 4.48Å; F1101-L1127 HydrophobicContact CE2-CD1 4.07Å; F1101-L1127 HydrophobicContact CE2-CD2 3.82Å; F1101-L1127 HydrophobicContact CE2-CG 3.85Å; F1101-L1127 HydrophobicContact CG-CD2 4.42Å; F1101-L1127 HydrophobicContact CZ-CD1 4.38Å; F1101-L1127 HydrophobicContact CZ-CD2 4.03Å; F1101-L1127 HydrophobicContact CZ-CG 3.81Å
1102	L	87.3	Confident	82.4	Confident	40 Å²	40	72.6 Å²	72.6	21%	0.209	39%	0.392	C	S	.	.	H	α-helix	trans	-62.4	-37	175.6	-75.9	172.8	0	0	0	112.3	F1059 M1098 T1099 M1104 I1105 G1106	F1059-L1102 HydrophobicContact CZ-CD2 4.33Å; F1059-L1102 HydrophobicContact CZ-CG 4.24Å; M1098-L1102 HydrophobicContact CE-CD1 3.85Å; M1098-L1102 HydrophobicContact CG-CD1 3.76Å; M1098-L1102 HydrophobicContact CG-CG 4.42Å; M1098-L1102 VanDerWaalsContact O-CB 3.31Å; M1098-L1102 WeakPolarHBondContact O-CB 3.5Å; M1098-L1102 VanDerWaalsContact O-CG 3.24Å; M1098-L1102 WeakPolarHBondContact O-CG 3.36Å; M1098-L1102 PolarHBondContact O-N 2.79Å; T1099-L1102 PolarHBondContact O-N 2.93Å; L1102-M1104 VanDerWaalsContact C-N 3.27Å; L1102-M1104 PolarHBondContact O-N 3.23Å; L1102-I1105 HydrophobicContact CD2-CD1 4.34Å; L1102-I1105 PolarHBondContact O-N 2.87Å; L1102-G1106 CarbonylContact O-C 3.56Å; L1102-G1106 VanDerWaalsContact O-CA 3.27Å; L1102-G1106 WeakPolarHBondContact O-CA 3.36Å; L1102-G1106 PolarHBondContact O-N 3.03Å
1103	D	87	Confident	82.1	Confident	129 Å²	129	71 Å²	71	69%	0.69	38%	0.384	S	S	*	.	H	α-helix	trans	-64.7	-32.3	173.8	-69.8	-20.7	0	0	0	112	T1099 F1101	T1099-D1103 VanDerWaalsContact O-CG 3.31Å; T1099-D1103 PolarHBondContact O-N 2.88Å; F1101-D1103 VanDerWaalsContact C-N 3.31Å; F1101-D1103 PolarHBondContact O-N 3.22Å
1104	M	87.5	Confident	82	Confident	75 Å²	75	67.9 Å²	67.9	37%	0.369	36%	0.359	S	S	.	.	H	α-helix	trans	-76.3	-38.7	177.2	-66	177.1	-162	0	0	113.5	C1100 F1101 L1102 V1120 R1126	C1100-M1104 WeakPolarHBondContact O-CG 3.46Å; C1100-M1104 PolarHBondContact O-N 2.97Å; F1101-M1104 HydrophobicContact CD1-SD 4.25Å; F1101-M1104 WeakPolarHBondContact O-CB 3.41Å; F1101-M1104 PolarHBondContact O-N 3.41Å; F1101-M1104 VanDerWaalsContact O-N 3.1Å; L1102-M1104 VanDerWaalsContact C-N 3.27Å; L1102-M1104 PolarHBondContact O-N 3.23Å; M1104-V1120 HydrophobicContact CB-CG1 4.48Å; M1104-V1120 HydrophobicContact SD-CG1 4.32Å; M1104-R1126 WeakPolarHBondContact CE-O 3.29Å
1105	I	85.6	Confident	81.9	Confident	14 Å²	14	68 Å²	68	7%	0.072	36%	0.357	C	S	.	.	H	α-helix	trans	-97.4	-10.9	-174.2	67.7	-169.9	0	0	0	113.9	F1101 L1102 T1113 R1116 V1120	F1101-I1105 VanDerWaalsContact O-CG1 3.3Å; F1101-I1105 WeakPolarHBondContact O-CG1 3.39Å; F1101-I1105 PolarHBondContact O-N 3.44Å; L1102-I1105 HydrophobicContact CD2-CD1 4.34Å; L1102-I1105 PolarHBondContact O-N 2.87Å; I1105-T1113 HydrophobicContact CD1-CG2 3.92Å; I1105-R1116 HydrophobicContact CB-CB 3.81Å; I1105-R1116 HydrophobicContact CG2-CB 3.98Å; I1105-R1116 WeakPolarHBondContact O-CD 3.31Å; I1105-R1116 PolarHBondContact O-NH1 2.84Å; I1105-V1120 HydrophobicContact CG2-CB 4.14Å; I1105-V1120 HydrophobicContact CG2-CG2 3.53Å
1106	G	74.9	Confident	81.8	Confident	31 Å²	31	69.2 Å²	69.2	32%	0.32	36%	0.36	S	S	.	.			trans	71.9	157.3	-168.6	0	0	0	0	0	112.4	L1102 A1108	L1102-G1106 CarbonylContact O-C 3.56Å; L1102-G1106 VanDerWaalsContact O-CA 3.27Å; L1102-G1106 WeakPolarHBondContact O-CA 3.36Å; L1102-G1106 PolarHBondContact O-N 3.03Å; G1106-A1108 PolarHBondContact O-N 2.94Å
1107	R	71.3	Confident	81.7	Confident	247 Å²	247	67.9 Å²	67.9	93%	0.932	35%	0.35	S	S	*	.	S	Bend	trans	-56.1	118.2	179.8	-66.1	-172.8	-176.6	-170.6	1.1	110.6
1108	A	67	Low	81.5	Confident	18 Å²	18	68.4 Å²	68.4	15%	0.149	35%	0.353	C	S	.	.			trans	-140.6	155.9	174.5	0	0	0	0	0	108.1	G1106 M1112 T1113	G1106-A1108 PolarHBondContact O-N 2.94Å; A1108-M1112 HydrophobicContact CB-CB 4.31Å; A1108-M1112 HydrophobicContact CB-CG 4.04Å; A1108-T1113 PolarHBondContact O-OG1 3.45Å
1109	Q	64.6	Low	81.5	Confident	179 Å²	179	67.4 Å²	67.4	84%	0.836	35%	0.35	S	S	*	.			trans	-126.3	151.9	178.4	-71.6	-177	-16.6	0	0	110.6	T1113	Q1109-T1113 WeakPolarHBondContact CA-OG1 3.43Å; Q1109-T1113 PolarHBondContact N-OG1 3.13Å
1110	G	69	Low	81.6	Confident	57 Å²	57	65.8 Å²	65.8	59%	0.588	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.8	-138.2	177.1	0	0	0	0	0	114	M1112 T1113	G1110-M1112 PolarHBondContact O-N 2.84Å; G1110-T1113 VanDerWaalsContact O-CB 3.24Å; G1110-T1113 WeakPolarHBondContact O-CB 3.14Å; G1110-T1113 PolarHBondContact O-N 3.12Å; G1110-T1113 PolarHBondContact O-OG1 3.46Å
1111	Q	72.1	Confident	81.6	Confident	137 Å²	137	64.8 Å²	64.8	64%	0.64	33%	0.333	S	S	*	.	H	α-helix	trans	-57.6	-31	-176.6	-70.6	-68.4	-18.8	0	0	113.7	T1113 I1114 V1115	Q1111-T1113 VanDerWaalsContact C-N 3.26Å; Q1111-T1113 PolarHBondContact O-N 3.3Å; Q1111-I1114 PolarHBondContact O-N 2.96Å; Q1111-V1115 WeakPolarHBondContact O-CG2 3.24Å; Q1111-V1115 PolarHBondContact O-N 2.8Å
1112	M	77.1	Confident	81.6	Confident	100 Å²	100	69.9 Å²	69.9	49%	0.493	36%	0.357	S	S	.	.	H	α-helix	trans	-64.3	-32.4	177.5	-172.7	57.4	58.2	0	0	112	A1108 G1110 R1116	A1108-M1112 HydrophobicContact CB-CB 4.31Å; A1108-M1112 HydrophobicContact CB-CG 4.04Å; G1110-M1112 PolarHBondContact O-N 2.84Å; M1112-R1116 WeakPolarHBondContact O-CG 3.46Å; M1112-R1116 PolarHBondContact O-N 2.91Å; M1112-R1116 VanDerWaalsContact O-N 3.08Å; M1112-R1116 HydrophobicContact SD-CG 4.33Å
1113	T	82.6	Confident	81.6	Confident	13 Å²	13	73.9 Å²	73.9	8%	0.08	37%	0.374	C	S	.	.	H	α-helix	trans	-63.8	-45.3	174.3	-51.8	0	0	0	0	110.9	F1059 I1105 A1108 Q1109 G1110 Q1111 R1116 L1117	F1059-T1113 HydrophobicContact CE1-CG2 4.18Å; F1059-T1113 HydrophobicContact CZ-CG2 3.96Å; I1105-T1113 HydrophobicContact CD1-CG2 3.92Å; A1108-T1113 PolarHBondContact O-OG1 3.45Å; Q1109-T1113 WeakPolarHBondContact CA-OG1 3.43Å; Q1109-T1113 PolarHBondContact N-OG1 3.13Å; G1110-T1113 VanDerWaalsContact O-CB 3.24Å; G1110-T1113 WeakPolarHBondContact O-CB 3.14Å; G1110-T1113 PolarHBondContact O-N 3.12Å; G1110-T1113 PolarHBondContact O-OG1 3.46Å; Q1111-T1113 VanDerWaalsContact C-N 3.26Å; Q1111-T1113 PolarHBondContact O-N 3.3Å; T1113-R1116 PolarHBondContact O-N 2.96Å; T1113-L1117 WeakPolarHBondContact O-CB 3.18Å; T1113-L1117 PolarHBondContact O-N 3.02Å
1114	I	83.2	Confident	81.7	Confident	37 Å²	37	69.5 Å²	69.5	19%	0.19	36%	0.36	C	S	.	.	H	α-helix	trans	-63.5	-48	179.5	-61.6	174.1	0	0	0	110.1	V1058 L1066 Q1111 R1116 L1117 V1118	V1058-I1114 HydrophobicContact CG1-CD1 4.16Å; V1058-I1114 HydrophobicContact CG1-CG1 4.17Å; L1066-I1114 HydrophobicContact CB-CG2 4.3Å; L1066-I1114 HydrophobicContact CD2-CG2 4.27Å; Q1111-I1114 PolarHBondContact O-N 2.96Å; I1114-R1116 PolarHBondContact O-N 3.22Å; I1114-L1117 PolarHBondContact O-N 3.26Å; I1114-V1118 HydrophobicContact CG2-CG2 4.33Å; I1114-V1118 WeakPolarHBondContact O-CB 3.49Å; I1114-V1118 VanDerWaalsContact O-CG2 3.29Å; I1114-V1118 WeakPolarHBondContact O-CG2 3.3Å; I1114-V1118 PolarHBondContact O-N 3.27Å
1115	V	83.3	Confident	81.8	Confident	75 Å²	75	70.9 Å²	70.9	46%	0.455	36%	0.364	S	S	.	.	H	α-helix	trans	-59.4	-47.1	179.7	173.7	0	0	0	0	111.4	Q1111 V1118 N1119	Q1111-V1115 WeakPolarHBondContact O-CG2 3.24Å; Q1111-V1115 PolarHBondContact O-N 2.8Å; V1115-V1118 PolarHBondContact O-N 3.15Å; V1115-N1119 VanDerWaalsContact O-CG 3.27Å; V1115-N1119 PolarHBondContact O-N 3.43Å; V1115-N1119 PolarHBondContact O-OD1 2.98Å
1116	R	86.3	Confident	82.2	Confident	98 Å²	98	71.4 Å²	71.4	37%	0.37	37%	0.365	S	S	.	.	H	α-helix	trans	-68	-37.7	178.7	-67.3	-177.7	-179.5	-169.5	3.1	112.5	I1105 M1112 T1113 I1114 N1119 V1120	I1105-R1116 HydrophobicContact CB-CB 3.81Å; I1105-R1116 HydrophobicContact CG2-CB 3.98Å; I1105-R1116 WeakPolarHBondContact O-CD 3.31Å; I1105-R1116 PolarHBondContact O-NH1 2.84Å; M1112-R1116 WeakPolarHBondContact O-CG 3.46Å; M1112-R1116 PolarHBondContact O-N 2.91Å; M1112-R1116 VanDerWaalsContact O-N 3.08Å; M1112-R1116 HydrophobicContact SD-CG 4.33Å; T1113-R1116 PolarHBondContact O-N 2.96Å; I1114-R1116 PolarHBondContact O-N 3.22Å; R1116-N1119 PolarHBondContact O-N 3.12Å; R1116-V1120 WeakPolarHBondContact O-CG2 3.3Å; R1116-V1120 PolarHBondContact O-N 2.75Å
1117	L	87.1	Confident	83.1	Confident	2 Å²	2	70 Å²	70	1%	0.01	35%	0.35	C	S	.	.	H	α-helix	trans	-62.4	-45.1	175.3	-176.7	62.6	0	0	0	110.8	F1059 L1066 F1101 T1113 I1114 N1119 V1120 L1121	F1059-L1117 HydrophobicContact CD1-CD2 4.08Å; L1066-L1117 HydrophobicContact CD1-CD2 3.93Å; L1066-L1117 HydrophobicContact CD1-CG 4.21Å; F1101-L1117 HydrophobicContact CB-CD1 4.1Å; F1101-L1117 HydrophobicContact CD1-CD1 3.51Å; F1101-L1117 HydrophobicContact CD2-CD1 4.33Å; F1101-L1117 HydrophobicContact CE1-CD1 3.94Å; F1101-L1117 HydrophobicContact CG-CD1 3.74Å; T1113-L1117 WeakPolarHBondContact O-CB 3.18Å; T1113-L1117 PolarHBondContact O-N 3.02Å; I1114-L1117 PolarHBondContact O-N 3.26Å; L1117-N1119 PolarHBondContact O-N 2.92Å; L1117-V1120 PolarHBondContact O-N 2.64Å; L1117-L1121 HydrophobicContact CD1-CD1 4.42Å; L1117-L1121 HydrophobicContact CD1-CG 4.43Å; L1117-L1121 HydrophobicContact CG-CD1 4.17Å; L1117-L1121 WeakPolarHBondContact O-CB 3.35Å; L1117-L1121 VanDerWaalsContact O-CG 3.27Å; L1117-L1121 WeakPolarHBondContact O-CG 3.26Å; L1117-L1121 PolarHBondContact O-N 2.8Å
1118	V	88.1	Confident	84.1	Confident	13 Å²	13	61.2 Å²	61.2	8%	0.079	33%	0.33	C	S	.	.	H	α-helix	trans	-57.7	-47.6	174.3	167.4	0	0	0	0	110.8	L1066 T1067 I1114 V1115 V1120 L1121 Q1122	L1066-V1118 HydrophobicContact CB-CG2 3.63Å; L1066-V1118 HydrophobicContact CD1-CG2 4.14Å; T1067-V1118 HydrophobicContact CG2-CB 4.31Å; T1067-V1118 HydrophobicContact CG2-CG1 3.47Å; T1067-V1118 VanDerWaalsContact CG2-CG1 3.47Å; T1067-V1118 HydrophobicContact CG2-CG2 3.77Å; I1114-V1118 HydrophobicContact CG2-CG2 4.33Å; I1114-V1118 WeakPolarHBondContact O-CB 3.49Å; I1114-V1118 VanDerWaalsContact O-CG2 3.29Å; I1114-V1118 WeakPolarHBondContact O-CG2 3.3Å; I1114-V1118 PolarHBondContact O-N 3.27Å; V1115-V1118 PolarHBondContact O-N 3.15Å; V1118-V1120 PolarHBondContact O-N 3.47Å; V1118-L1121 PolarHBondContact O-N 3.05Å; V1118-Q1122 HydrophobicContact CG1-CG 4.21Å; V1118-Q1122 WeakPolarHBondContact O-CB 3.29Å; V1118-Q1122 VanDerWaalsContact O-CG 3.3Å; V1118-Q1122 WeakPolarHBondContact O-CG 3.41Å; V1118-Q1122 PolarHBondContact O-N 3.17Å
1119	N	88.4	Confident	85.4	Confident	76 Å²	76	63.3 Å²	63.3	41%	0.406	34%	0.343	S	S	.	.	H	α-helix	trans	-59.3	-46.8	178.9	-68.6	-12.5	0	0	0	111.7	V1115 R1116 L1117 L1121 Q1122 E1123	V1115-N1119 VanDerWaalsContact O-CG 3.27Å; V1115-N1119 PolarHBondContact O-N 3.43Å; V1115-N1119 PolarHBondContact O-OD1 2.98Å; R1116-N1119 PolarHBondContact O-N 3.12Å; L1117-N1119 PolarHBondContact O-N 2.92Å; N1119-L1121 VanDerWaalsContact C-N 3.34Å; N1119-L1121 PolarHBondContact O-N 2.92Å; N1119-Q1122 PolarHBondContact O-N 3.41Å; N1119-E1123 WeakPolarHBondContact O-CG 3.46Å; N1119-E1123 PolarHBondContact O-N 3.32Å
1120	V	90.8	Very high	86.7	Confident	11 Å²	11	55.2 Å²	55.2	7%	0.067	31%	0.306	C	S	.	.	H	α-helix	trans	-61	-42	177	165	0	0	0	0	111.6	M1104 I1105 R1116 L1117 V1118 E1123 K1125	M1104-V1120 HydrophobicContact CB-CG1 4.48Å; M1104-V1120 HydrophobicContact SD-CG1 4.32Å; I1105-V1120 HydrophobicContact CG2-CB 4.14Å; I1105-V1120 HydrophobicContact CG2-CG2 3.53Å; R1116-V1120 WeakPolarHBondContact O-CG2 3.3Å; R1116-V1120 PolarHBondContact O-N 2.75Å; L1117-V1120 PolarHBondContact O-N 2.64Å; V1118-V1120 PolarHBondContact O-N 3.47Å; V1120-E1123 PolarHBondContact O-N 3.43Å; V1120-K1125 HydrophobicContact CG1-CB 3.57Å; V1120-K1125 HydrophobicContact CG1-CD 3.98Å; V1120-K1125 HydrophobicContact CG1-CG 4.41Å; V1120-K1125 HydrophobicContact CG2-CD 4.45Å; V1120-K1125 WeakPolarHBondContact O-CB 3.33Å; V1120-K1125 PolarHBondContact O-N 2.95Å; V1120-K1125 VanDerWaalsContact O-N 3.16Å
1121	L	91.7	Very high	87.4	Confident	3 Å²	3	60.5 Å²	60.5	2%	0.016	32%	0.316	C	S	.	.	H	α-helix	trans	-69.5	-34.9	178	-66.8	177.7	0	0	0	112.7	P1063 L1066 W1078 F1101 L1117 V1118 N1119 G1124 R1126	P1063-L1121 HydrophobicContact CG-CB 4.32Å; P1063-L1121 HydrophobicContact CG-CD1 4.29Å; L1066-L1121 HydrophobicContact CD1-CD1 3.99Å; W1078-L1121 HydrophobicContact CH2-CD1 4.45Å; W1078-L1121 HydrophobicContact CH2-CD2 4.06Å; W1078-L1121 HydrophobicContact CZ2-CD1 3.95Å; W1078-L1121 HydrophobicContact CZ2-CD2 3.8Å; W1078-L1121 HydrophobicContact CZ2-CG 4.46Å; F1101-L1121 HydrophobicContact CE1-CD2 4.06Å; F1101-L1121 HydrophobicContact CZ-CD2 4.32Å; L1117-L1121 HydrophobicContact CD1-CD1 4.42Å; L1117-L1121 HydrophobicContact CD1-CG 4.43Å; L1117-L1121 HydrophobicContact CG-CD1 4.17Å; L1117-L1121 WeakPolarHBondContact O-CB 3.35Å; L1117-L1121 VanDerWaalsContact O-CG 3.27Å; L1117-L1121 WeakPolarHBondContact O-CG 3.26Å; L1117-L1121 PolarHBondContact O-N 2.8Å; V1118-L1121 PolarHBondContact O-N 3.05Å; N1119-L1121 VanDerWaalsContact C-N 3.34Å; N1119-L1121 PolarHBondContact O-N 2.92Å; L1121-G1124 PolarHBondContact O-N 3.47Å; L1121-G1124 VanDerWaalsContact O-N 3.15Å; L1121-R1126 PolarHBondContact O-NH1 2.92Å
1122	Q	88	Confident	87.8	Confident	113 Å²	113	57.8 Å²	57.8	53%	0.528	32%	0.324	S	S	.	.	H	α-helix	trans	-68.4	-34.8	174.5	-75.7	178.8	-5.6	0	0	112.3	V1118 N1119 G1124	V1118-Q1122 HydrophobicContact CG1-CG 4.21Å; V1118-Q1122 WeakPolarHBondContact O-CB 3.29Å; V1118-Q1122 VanDerWaalsContact O-CG 3.3Å; V1118-Q1122 WeakPolarHBondContact O-CG 3.41Å; V1118-Q1122 PolarHBondContact O-N 3.17Å; N1119-Q1122 PolarHBondContact O-N 3.41Å; Q1122-G1124 PolarHBondContact O-N 3.48Å; Q1122-G1124 VanDerWaalsContact O-N 3.13Å
1123	E	89.2	Confident	88.4	Confident	123 Å²	123	53.8 Å²	53.8	58%	0.575	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.6	-1.9	170.8	-71.7	173.5	-169.4	0	0	113.3	N1119 V1120 K1125	N1119-E1123 WeakPolarHBondContact O-CG 3.46Å; N1119-E1123 PolarHBondContact O-N 3.32Å; V1120-E1123 PolarHBondContact O-N 3.43Å; E1123-K1125 VanDerWaalsContact C-N 3.28Å; E1123-K1125 HydrophobicContact CB-CG 4.46Å; E1123-K1125 PolarHBondContact O-N 2.96Å; E1123-K1125 VanDerWaalsContact OE2-CE 3.26Å; E1123-K1125 WeakPolarHBondContact OE2-CE 3.12Å; E1123-K1125 IonicContact OE2-NZ 2.84Å; E1123-K1125 PolarHBondContact OE2-NZ 3.26Å
1124	G	87.4	Confident	88.8	Confident	37 Å²	37	55.4 Å²	55.4	38%	0.381	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.5	4.2	179.1	0	0	0	0	0	114.5	L1121 Q1122	L1121-G1124 PolarHBondContact O-N 3.47Å; L1121-G1124 VanDerWaalsContact O-N 3.15Å; Q1122-G1124 PolarHBondContact O-N 3.48Å; Q1122-G1124 VanDerWaalsContact O-N 3.13Å
1125	K	91	Very high	89.1	Confident	104 Å²	104	56 Å²	56	45%	0.452	33%	0.331	S	S	.	.			trans	-68.9	140.9	174.6	-65.2	170.9	175.9	160.4	0	109.9	V1120 E1123	V1120-K1125 HydrophobicContact CG1-CB 3.57Å; V1120-K1125 HydrophobicContact CG1-CD 3.98Å; V1120-K1125 HydrophobicContact CG1-CG 4.41Å; V1120-K1125 HydrophobicContact CG2-CD 4.45Å; V1120-K1125 WeakPolarHBondContact O-CB 3.33Å; V1120-K1125 PolarHBondContact O-N 2.95Å; V1120-K1125 VanDerWaalsContact O-N 3.16Å; E1123-K1125 VanDerWaalsContact C-N 3.28Å; E1123-K1125 HydrophobicContact CB-CG 4.46Å; E1123-K1125 PolarHBondContact O-N 2.96Å; E1123-K1125 VanDerWaalsContact OE2-CE 3.26Å; E1123-K1125 WeakPolarHBondContact OE2-CE 3.12Å; E1123-K1125 IonicContact OE2-NZ 2.84Å; E1123-K1125 PolarHBondContact OE2-NZ 3.26Å
1126	R	93.6	Very high	89.5	Confident	26 Å²	26	59.4 Å²	59.4	10%	0.098	34%	0.336	C	S	.	.			trans	-141.8	169.9	-178.8	-62.4	-63.8	-178.3	-89.9	1.8	109.1	M1104 L1121 A1128 W1145	M1104-R1126 WeakPolarHBondContact CE-O 3.29Å; L1121-R1126 PolarHBondContact O-NH1 2.92Å; R1126-A1128 PolarHBondContact O-N 3.01Å; R1126-W1145 HydrophobicContact CB-CE3 4.01Å; R1126-W1145 HydrophobicContact CB-CZ3 4.35Å; R1126-W1145 HydrophobicContact CG-CB 4.43Å; R1126-W1145 HydrophobicContact CG-CE3 4.26Å; R1126-W1145 PolarHBondContact NE-O 3.07Å; R1126-W1145 VanDerWaalsContact NE-O 3.12Å; R1126-W1145 PolarHBondContact NH2-O 3.44Å; R1126-W1145 VanDerWaalsContact NH2-O 3.1Å
1127	L	93.9	Very high	89.8	Confident	1 Å²	1	54.9 Å²	54.9	1%	0.005	32%	0.319	C	S	.	.	P	Polyproline II helix	trans	-54.7	133.2	168.2	-63.9	171.2	0	0	0	109.7	V1082 Y1085 P1097 C1100 F1101 Y1138 W1145	V1082-L1127 HydrophobicContact CG1-CD1 4.27Å; Y1085-L1127 HydrophobicContact CD1-CD1 3.76Å; Y1085-L1127 HydrophobicContact CD2-CB 4.01Å; Y1085-L1127 HydrophobicContact CD2-CD1 4.22Å; Y1085-L1127 HydrophobicContact CE1-CD1 4.11Å; Y1085-L1127 HydrophobicContact CE2-CB 3.94Å; Y1085-L1127 HydrophobicContact CG-CB 4.46Å; Y1085-L1127 HydrophobicContact CG-CD1 3.82Å; P1097-L1127 HydrophobicContact CB-CD1 4.19Å; P1097-L1127 HydrophobicContact CG-CD1 4.45Å; C1100-L1127 HydrophobicContact CB-CD2 3.54Å; F1101-L1127 HydrophobicContact CD2-CD2 4.03Å; F1101-L1127 HydrophobicContact CE1-CD2 4.42Å; F1101-L1127 HydrophobicContact CE1-CG 4.48Å; F1101-L1127 HydrophobicContact CE2-CD1 4.07Å; F1101-L1127 HydrophobicContact CE2-CD2 3.82Å; F1101-L1127 HydrophobicContact CE2-CG 3.85Å; F1101-L1127 HydrophobicContact CG-CD2 4.42Å; F1101-L1127 HydrophobicContact CZ-CD1 4.38Å; F1101-L1127 HydrophobicContact CZ-CD2 4.03Å; F1101-L1127 HydrophobicContact CZ-CG 3.81Å; L1127-Y1138 PolarHBondContact O-OH 3.43Å; L1127-W1145 HydrophobicContact CB-CH2 3.87Å; L1127-W1145 HydrophobicContact CB-CZ3 4.3Å; L1127-W1145 HydrophobicContact CD1-CH2 4.25Å; L1127-W1145 HydrophobicContact CD1-CZ2 4.11Å
1128	A	92.3	Very high	90.3	Very high	63 Å²	63	57 Å²	57	52%	0.521	33%	0.327	S	S	.	.	P	Polyproline II helix	trans	-68	160.5	-179.2	0	0	0	0	0	111.6	Y1085 R1126 P1130	Y1085-A1128 VanDerWaalsContact CE2-O 3.31Å; Y1085-A1128 WeakPolarHBondContact CE2-O 3.49Å; R1126-A1128 PolarHBondContact O-N 3.01Å; A1128-P1130 WeakPolarHBondContact O-CD 3.3Å
1129	C	94.3	Very high	90.7	Very high	61 Å²	61	61.7 Å²	61.7	41%	0.412	35%	0.349	S	S	.	.	P	Polyproline II helix	trans	-61.3	123.1	174.7	-171.5	0	0	0	0	110.1	Y1138	C1129-Y1138 VanDerWaalsContact CA-CE2 3.43Å; C1129-Y1138 HydrophobicContact CB-CD1 3.87Å; C1129-Y1138 HydrophobicContact CB-CD2 3.85Å; C1129-Y1138 HydrophobicContact CB-CE1 3.94Å; C1129-Y1138 HydrophobicContact CB-CE2 3.93Å; C1129-Y1138 HydrophobicContact CB-CG 3.8Å
1130	P	91.8	Very high	91.1	Very high	10 Å²	10	58.3 Å²	58.3	7%	0.065	33%	0.331	C	S	.	.	P	Polyproline II helix	trans	-59.2	146.5	174.8	-22	31.3	0	0	0	112.2	Y1085 I1088 T1089 A1128 G1132 C1133	Y1085-P1130 HydrophobicContact CD2-CG 3.61Å; Y1085-P1130 HydrophobicContact CE2-CG 3.59Å; I1088-P1130 HydrophobicContact CG2-CB 3.97Å; I1088-P1130 HydrophobicContact CG2-CG 3.97Å; T1089-P1130 HydrophobicContact CG2-CB 3.81Å; T1089-P1130 HydrophobicContact CG2-CG 3.9Å; A1128-P1130 WeakPolarHBondContact O-CD 3.3Å; P1130-G1132 PolarHBondContact O-N 3.45Å; P1130-C1133 HydrophobicContact CB-CB 3.98Å; P1130-C1133 HydrophobicContact CG-CB 4.24Å; P1130-C1133 WeakPolarHBondContact O-CB 3Å; P1130-C1133 PolarHBondContact O-N 2.93Å
1131	E	83.8	Confident	91.4	Very high	168 Å²	168	57.8 Å²	57.8	79%	0.785	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	129.3	173.8	-167.6	176.8	-170.1	0	0	110.7	K1095 C1133	K1095-E1131 IonicContact NZ-OE2 3.53Å; K1095-E1131 PolarHBondContact NZ-OE2 3.1Å; E1131-C1133 VanDerWaalsContact C-N 3.28Å; E1131-C1133 PolarHBondContact O-N 3.32Å
1132	G	80.9	Confident	91.6	Very high	79 Å²	79	62.8 Å²	62.8	81%	0.814	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.8	0.9	-174.7	0	0	0	0	0	115.4	P1130	P1130-G1132 PolarHBondContact O-N 3.45Å
1133	C	89.6	Confident	92.1	Very high	16 Å²	16	61.7 Å²	61.7	11%	0.108	34%	0.339	C	S	.	.			trans	-75.5	128.2	175.2	-176.5	0	0	0	0	111.3	I1088 P1130 E1131	I1088-C1133 HydrophobicContact CG2-CB 3.83Å; P1130-C1133 HydrophobicContact CB-CB 3.98Å; P1130-C1133 HydrophobicContact CG-CB 4.24Å; P1130-C1133 WeakPolarHBondContact O-CB 3Å; P1130-C1133 PolarHBondContact O-N 2.93Å; E1131-C1133 VanDerWaalsContact C-N 3.28Å; E1131-C1133 PolarHBondContact O-N 3.32Å
1134	P	90.8	Very high	92.5	Very high	48 Å²	48	55.8 Å²	55.8	31%	0.312	31%	0.312	S	S	.	.			trans	-63	138.6	173.6	-15.9	26.1	0	0	0	111.7	L990 R1136 V1137 Y1138	L990-P1134 HydrophobicContact CD1-CG 4.49Å; L990-P1134 HydrophobicContact CD2-CG 3.46Å; L990-P1134 VanDerWaalsContact CD2-CG 3.46Å; P1134-R1136 VanDerWaalsContact C-N 3.27Å; P1134-R1136 PolarHBondContact O-N 3.46Å; P1134-R1136 VanDerWaalsContact O-N 3.14Å; P1134-V1137 HydrophobicContact CB-CB 4.4Å; P1134-V1137 HydrophobicContact CB-CG2 3.91Å; P1134-V1137 HydrophobicContact CG-CB 4.48Å; P1134-V1137 HydrophobicContact CG-CG2 3.83Å; P1134-V1137 WeakPolarHBondContact O-CA 3.44Å; P1134-V1137 WeakPolarHBondContact O-CB 3.45Å; P1134-V1137 PolarHBondContact O-N 3.02Å; P1134-Y1138 PolarHBondContact O-N 3.4Å
1135	G	89.8	Confident	92.9	Very high	48 Å²	48	54.3 Å²	54.3	50%	0.495	30%	0.295	S	S	.	.	H	α-helix	trans	-52.3	-41.7	-177.6	0	0	0	0	0	113.9	V1137 Y1138 E1139	G1135-V1137 VanDerWaalsContact C-N 3.31Å; G1135-V1137 PolarHBondContact O-N 3.45Å; G1135-Y1138 PolarHBondContact O-N 2.84Å; G1135-E1139 WeakPolarHBondContact O-CG 3.43Å; G1135-E1139 PolarHBondContact O-N 2.7Å
1136	R	91.8	Very high	93.2	Very high	147 Å²	147	53.2 Å²	53.2	56%	0.555	29%	0.291	S	S	*	.	H	α-helix	trans	-63.2	-33.1	176.8	-68.9	-168.9	175	-172.4	-2.4	113.9	P1134 E1139 L1140 L1165	P1134-R1136 VanDerWaalsContact C-N 3.27Å; P1134-R1136 PolarHBondContact O-N 3.46Å; P1134-R1136 VanDerWaalsContact O-N 3.14Å; R1136-E1139 PolarHBondContact O-N 3Å; R1136-L1140 PolarHBondContact O-N 3.33Å; R1136-L1165 HydrophobicContact CB-CD1 4.13Å; R1136-L1165 HydrophobicContact CB-CD2 3.7Å; R1136-L1165 HydrophobicContact CG-CD2 4.3Å
1137	V	92.9	Very high	93	Very high	3 Å²	3	56 Å²	56	2%	0.018	31%	0.305	C	S	.	.	H	α-helix	trans	-69.3	-43.6	177.1	177.8	0	0	0	0	109.2	L994 M1084 I1088 P1134 G1135 L1140 M1141 L1165	L994-V1137 HydrophobicContact CD2-CG1 4.35Å; L994-V1137 HydrophobicContact CD2-CG2 4.07Å; M1084-V1137 HydrophobicContact CE-CB 4.49Å; M1084-V1137 HydrophobicContact CE-CG1 3.34Å; I1088-V1137 HydrophobicContact CD1-CG1 4.09Å; I1088-V1137 HydrophobicContact CG1-CG1 4.2Å; P1134-V1137 HydrophobicContact CB-CB 4.4Å; P1134-V1137 HydrophobicContact CB-CG2 3.91Å; P1134-V1137 HydrophobicContact CG-CB 4.48Å; P1134-V1137 HydrophobicContact CG-CG2 3.83Å; P1134-V1137 WeakPolarHBondContact O-CA 3.44Å; P1134-V1137 WeakPolarHBondContact O-CB 3.45Å; P1134-V1137 PolarHBondContact O-N 3.02Å; G1135-V1137 VanDerWaalsContact C-N 3.31Å; G1135-V1137 PolarHBondContact O-N 3.45Å; V1137-L1140 WeakPolarHBondContact O-CB 3.49Å; V1137-L1140 PolarHBondContact O-N 2.85Å; V1137-M1141 HydrophobicContact CG1-CE 4.25Å; V1137-M1141 PolarHBondContact O-N 3.22Å; V1137-L1165 HydrophobicContact CG2-CD1 3.98Å
1138	Y	96.3	Very high	92.9	Very high	47 Å²	47	58.3 Å²	58.3	18%	0.184	32%	0.319	C	S	.	.	H	α-helix	trans	-67.7	-33.8	174.9	-175.5	-111.4	0	0	0	113.2	L1127 C1129 P1134 G1135 L1140 M1141 R1142 W1145	L1127-Y1138 PolarHBondContact O-OH 3.43Å; C1129-Y1138 VanDerWaalsContact CA-CE2 3.43Å; C1129-Y1138 HydrophobicContact CB-CD1 3.87Å; C1129-Y1138 HydrophobicContact CB-CD2 3.85Å; C1129-Y1138 HydrophobicContact CB-CE1 3.94Å; C1129-Y1138 HydrophobicContact CB-CE2 3.93Å; C1129-Y1138 HydrophobicContact CB-CG 3.8Å; P1134-Y1138 PolarHBondContact O-N 3.4Å; G1135-Y1138 PolarHBondContact O-N 2.84Å; Y1138-L1140 VanDerWaalsContact C-N 3.28Å; Y1138-L1140 PolarHBondContact O-N 3.18Å; Y1138-M1141 HydrophobicContact CD2-CB 4.46Å; Y1138-M1141 HydrophobicContact CD2-SD 3.95Å; Y1138-M1141 WeakPolarHBondContact O-CB 3.39Å; Y1138-M1141 PolarHBondContact O-N 2.63Å; Y1138-R1142 HydrophobicContact CD1-CG 4.17Å; Y1138-R1142 HydrophobicContact CE1-CG 3.86Å; Y1138-R1142 WeakPolarHBondContact O-CG 3.45Å; Y1138-R1142 PolarHBondContact O-N 2.81Å; Y1138-W1145 HydrophobicContact CE2-CZ3 4.08Å
1139	E	96.1	Very high	92.9	Very high	112 Å²	112	56.3 Å²	56.3	52%	0.523	30%	0.301	S	S	.	.	H	α-helix	trans	-59	-38.6	171.1	-75.8	169.9	-161.8	0	0	112.1	G1135 R1136 R1142 K1143	G1135-E1139 WeakPolarHBondContact O-CG 3.43Å; G1135-E1139 PolarHBondContact O-N 2.7Å; R1136-E1139 PolarHBondContact O-N 3Å; E1139-R1142 WeakPolarHBondContact O-CB 3.29Å; E1139-R1142 PolarHBondContact O-N 3.17Å; E1139-K1143 WeakPolarHBondContact O-CG 3.47Å; E1139-K1143 PolarHBondContact O-N 2.93Å
1140	L	96.9	Very high	92.8	Very high	5 Å²	5	60.6 Å²	60.6	3%	0.026	32%	0.315	C	S	.	.	H	α-helix	trans	-66.8	-41.1	174	-67.9	175.9	0	0	0	111.9	R1136 V1137 Y1138 R1142 K1143 C1144 I1153 L1158 E1161 L1162 L1165	R1136-L1140 PolarHBondContact O-N 3.33Å; V1137-L1140 WeakPolarHBondContact O-CB 3.49Å; V1137-L1140 PolarHBondContact O-N 2.85Å; Y1138-L1140 VanDerWaalsContact C-N 3.28Å; Y1138-L1140 PolarHBondContact O-N 3.18Å; L1140-R1142 VanDerWaalsContact C-N 3.29Å; L1140-R1142 PolarHBondContact O-N 2.89Å; L1140-K1143 HydrophobicContact CD2-CD 4.34Å; L1140-K1143 PolarHBondContact O-N 2.7Å; L1140-C1144 PolarHBondContact O-N 2.81Å; L1140-C1144 PolarHBondContact O-SG 2.68Å; L1140-I1153 HydrophobicContact CD2-CD1 3.94Å; L1140-L1158 HydrophobicContact CB-CD2 4.36Å; L1140-L1158 HydrophobicContact CD2-CD2 4.43Å; L1140-E1161 HydrophobicContact CD1-CB 4.03Å; L1140-E1161 HydrophobicContact CD2-CB 3.82Å; L1140-E1161 HydrophobicContact CD2-CG 4.18Å; L1140-L1162 HydrophobicContact CD1-CD2 3.57Å; L1140-L1162 HydrophobicContact CD1-CG 3.95Å; L1140-L1165 HydrophobicContact CD1-CD1 3.65Å
1141	M	97.5	Very high	92.9	Very high	0 Å²	0	69.1 Å²	69.1	0%	0	35%	0.346	C	S	.	.	H	α-helix	trans	-57.9	-44.1	172.1	-62.5	175.5	-177.8	0	0	111	M1084 I1088 V1137 Y1138 K1143 C1144 W1145	M1084-M1141 HydrophobicContact CB-CE 4.24Å; M1084-M1141 HydrophobicContact CB-CG 4.38Å; M1084-M1141 HydrophobicContact CE-CE 4.46Å; M1084-M1141 HydrophobicContact CG-CE 3.79Å; M1084-M1141 HydrophobicContact CG-CG 4.24Å; M1084-M1141 WeakPolarHBondContact O-CE 3.05Å; M1084-M1141 HydrophobicContact SD-CE 4.2Å; M1084-M1141 HydrophobicContact SD-CG 3.71Å; I1088-M1141 HydrophobicContact CB-CE 3.95Å; I1088-M1141 HydrophobicContact CG1-CE 3.54Å; I1088-M1141 HydrophobicContact CG2-CE 4.49Å; V1137-M1141 HydrophobicContact CG1-CE 4.25Å; V1137-M1141 PolarHBondContact O-N 3.22Å; Y1138-M1141 HydrophobicContact CD2-CB 4.46Å; Y1138-M1141 HydrophobicContact CD2-SD 3.95Å; Y1138-M1141 WeakPolarHBondContact O-CB 3.39Å; Y1138-M1141 PolarHBondContact O-N 2.63Å; M1141-K1143 PolarHBondContact O-N 3.28Å; M1141-C1144 VanDerWaalsContact O-CB 3.32Å; M1141-C1144 WeakPolarHBondContact O-CB 3.38Å; M1141-C1144 PolarHBondContact O-N 2.81Å; M1141-C1144 VanDerWaalsContact O-N 3.11Å; M1141-W1145 HydrophobicContact CB-CE3 4.2Å; M1141-W1145 HydrophobicContact CB-CH2 3.81Å; M1141-W1145 HydrophobicContact CB-CZ2 4.2Å; M1141-W1145 HydrophobicContact CB-CZ3 3.82Å; M1141-W1145 HydrophobicContact CG-CH2 4.45Å; M1141-W1145 VanDerWaalsContact O-CD2 3.26Å; M1141-W1145 PolarHBondContact O-N 2.88Å; M1141-W1145 HydrophobicContact SD-CH2 4.2Å
1142	R	96.7	Very high	93.5	Very high	108 Å²	108	61.7 Å²	61.7	41%	0.408	31%	0.311	S	S	.	.	H	α-helix	trans	-61.5	-40.3	176.3	-71.7	-73.2	-61.7	-179	3.7	112.5	Y1138 E1139 L1140 C1144 W1145 E1146	Y1138-R1142 HydrophobicContact CD1-CG 4.17Å; Y1138-R1142 HydrophobicContact CE1-CG 3.86Å; Y1138-R1142 WeakPolarHBondContact O-CG 3.45Å; Y1138-R1142 PolarHBondContact O-N 2.81Å; E1139-R1142 WeakPolarHBondContact O-CB 3.29Å; E1139-R1142 PolarHBondContact O-N 3.17Å; L1140-R1142 VanDerWaalsContact C-N 3.29Å; L1140-R1142 PolarHBondContact O-N 2.89Å; R1142-C1144 VanDerWaalsContact C-N 3.3Å; R1142-C1144 PolarHBondContact O-N 3.24Å; R1142-W1145 CarbonylContact O-C 3.6Å; R1142-W1145 PolarHBondContact O-N 2.77Å; R1142-W1145 VanDerWaalsContact O-N 3.12Å; R1142-E1146 PolarHBondContact O-N 3.22Å
1143	K	97.1	Very high	94.3	Very high	89 Å²	89	58.9 Å²	58.9	39%	0.387	28%	0.277	S	S	.	.	H	α-helix	trans	-65.7	-30.3	173.7	-72.2	176.1	-176	173.9	0	112.9	E1139 L1140 M1141 W1145 I1153	E1139-K1143 WeakPolarHBondContact O-CG 3.47Å; E1139-K1143 PolarHBondContact O-N 2.93Å; L1140-K1143 HydrophobicContact CD2-CD 4.34Å; L1140-K1143 PolarHBondContact O-N 2.7Å; M1141-K1143 PolarHBondContact O-N 3.28Å; K1143-W1145 VanDerWaalsContact C-N 3.33Å; K1143-I1153 HydrophobicContact CB-CB 4.18Å; K1143-I1153 HydrophobicContact CB-CG2 3.93Å; K1143-I1153 HydrophobicContact CD-CD1 4.4Å
1144	C	97.7	Very high	94.6	Very high	0 Å²	0	62 Å²	62	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-69.3	-34.7	171	-61.5	0	0	0	0	111.4	V1077 L1140 M1141 R1142 E1146 R1152	V1077-C1144 HydrophobicContact CG1-CB 4.1Å; V1077-C1144 WeakPolarHBondContact O-CB 3.08Å; L1140-C1144 PolarHBondContact O-N 2.81Å; L1140-C1144 PolarHBondContact O-SG 2.68Å; M1141-C1144 VanDerWaalsContact O-CB 3.32Å; M1141-C1144 WeakPolarHBondContact O-CB 3.38Å; M1141-C1144 PolarHBondContact O-N 2.81Å; M1141-C1144 VanDerWaalsContact O-N 3.11Å; R1142-C1144 VanDerWaalsContact C-N 3.3Å; R1142-C1144 PolarHBondContact O-N 3.24Å; C1144-E1146 VanDerWaalsContact C-N 3.33Å; C1144-E1146 PolarHBondContact O-N 2.86Å; C1144-R1152 WeakPolarHBondContact O-CD 3.29Å
1145	W	97.3	Very high	95	Very high	6 Å²	6	60.5 Å²	60.5	2%	0.023	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.5	23.2	-178.7	-54.9	-38.1	0	0	0	115.1	W1078 G1081 V1082 Y1085 R1126 L1127 Y1138 M1141 R1142 K1143	W1078-W1145 AromaticContact CD2-CD1 3.81Å; W1078-W1145 AromaticContact CE2-CD1 3.89Å; W1078-W1145 VanDerWaalsContact CE3-CA 3.5Å; W1078-W1145 HydrophobicContact CE3-CB 4.13Å; W1078-W1145 HydrophobicContact CH2-CB 4.14Å; W1078-W1145 VanDerWaalsContact CZ3-C 3.47Å; W1078-W1145 HydrophobicContact CZ3-CB 3.91Å; W1078-W1145 WeakPolarHBondContact CZ3-O 3.11Å; W1078-W1145 PolarHBondContact O-NE1 3.27Å; G1081-W1145 VanDerWaalsContact O-CZ2 3.23Å; G1081-W1145 WeakPolarHBondContact O-CZ2 3.29Å; V1082-W1145 HydrophobicContact CG2-CZ2 4.43Å; Y1085-W1145 HydrophobicContact CD2-CH2 4.45Å; R1126-W1145 HydrophobicContact CB-CE3 4.01Å; R1126-W1145 HydrophobicContact CB-CZ3 4.35Å; R1126-W1145 HydrophobicContact CG-CB 4.43Å; R1126-W1145 HydrophobicContact CG-CE3 4.26Å; R1126-W1145 PolarHBondContact NE-O 3.07Å; R1126-W1145 VanDerWaalsContact NE-O 3.12Å; R1126-W1145 PolarHBondContact NH2-O 3.44Å; R1126-W1145 VanDerWaalsContact NH2-O 3.1Å; L1127-W1145 HydrophobicContact CB-CH2 3.87Å; L1127-W1145 HydrophobicContact CB-CZ3 4.3Å; L1127-W1145 HydrophobicContact CD1-CH2 4.25Å; L1127-W1145 HydrophobicContact CD1-CZ2 4.11Å; Y1138-W1145 HydrophobicContact CE2-CZ3 4.08Å; M1141-W1145 HydrophobicContact CB-CE3 4.2Å; M1141-W1145 HydrophobicContact CB-CH2 3.81Å; M1141-W1145 HydrophobicContact CB-CZ2 4.2Å; M1141-W1145 HydrophobicContact CB-CZ3 3.82Å; M1141-W1145 HydrophobicContact CG-CH2 4.45Å; M1141-W1145 VanDerWaalsContact O-CD2 3.26Å; M1141-W1145 PolarHBondContact O-N 2.88Å; M1141-W1145 HydrophobicContact SD-CH2 4.2Å; R1142-W1145 CarbonylContact O-C 3.6Å; R1142-W1145 PolarHBondContact O-N 2.77Å; R1142-W1145 VanDerWaalsContact O-N 3.12Å; K1143-W1145 VanDerWaalsContact C-N 3.33Å
1146	E	96.1	Very high	95.2	Very high	80 Å²	80	64.4 Å²	64.4	37%	0.374	29%	0.287	S	S	.	.			trans	-59.1	136.5	169.6	-80.5	-64.2	157.6	0	0	110.4	R1142 C1144 T1148 R1151 R1152	R1142-E1146 PolarHBondContact O-N 3.22Å; C1144-E1146 VanDerWaalsContact C-N 3.33Å; C1144-E1146 PolarHBondContact O-N 2.86Å; E1146-T1148 VanDerWaalsContact C-N 3.34Å; E1146-T1148 PolarHBondContact O-N 3.28Å; E1146-R1151 HydrophobicContact CB-CB 4.37Å; E1146-R1152 HydrophobicContact CB-CG 3.81Å; E1146-R1152 PolarHBondContact O-NE 3.17Å; E1146-R1152 PolarHBondContact O-NH2 2.96Å
1147	H	90.4	Very high	95.4	Very high	86 Å²	86	63.1 Å²	63.1	40%	0.398	28%	0.282	S	S	.	.	S	Bend	trans	-65.6	-39.9	-172.8	-174.3	-71.7	0	0	0	111.7	R1152	H1147-R1152 PolarHBondContact O-NH2 2.86Å
1148	T	91.6	Very high	95.6	Very high	49 Å²	49	63 Å²	63	30%	0.301	28%	0.281	S	S	.	.	S	Bend	trans	-89.1	126.4	179.8	45.6	0	0	0	0	110.4	E1146 E1150 R1151	E1146-T1148 VanDerWaalsContact C-N 3.34Å; E1146-T1148 PolarHBondContact O-N 3.28Å; T1148-E1150 PolarHBondContact O-N 3.46Å; T1148-R1151 PolarHBondContact O-N 2.7Å; T1148-R1151 VanDerWaalsContact O-N 3.13Å; T1148-R1151 WeakPolarHBondContact OG1-CB 3.22Å; T1148-R1151 WeakPolarHBondContact OG1-CD 2.93Å; T1148-R1151 WeakPolarHBondContact OG1-CG 3.4Å
1149	P	92.4	Very high	95.6	Very high	20 Å²	20	62 Å²	62	13%	0.13	28%	0.28	C	S	.	.	G	3₁₀ helix	trans	-55	-36.8	-177.1	-26.9	35	0	0	0	113.8	E1064 Y1072 A1074 R1151 R1152	E1064-P1149 HydrophobicContact CG-CG 4.11Å; Y1072-P1149 HydrophobicContact CD2-CG 4.45Å; A1074-P1149 HydrophobicContact CB-CB 3.98Å; A1074-P1149 WeakPolarHBondContact CB-O 3.5Å; P1149-R1151 VanDerWaalsContact C-N 3.27Å; P1149-R1151 PolarHBondContact O-N 3.26Å; P1149-R1152 WeakPolarHBondContact O-CB 3.39Å; P1149-R1152 PolarHBondContact O-N 3.47Å
1150	E	91.6	Very high	95.4	Very high	151 Å²	151	60.6 Å²	60.6	71%	0.706	27%	0.273	S	S	*	.	G	3₁₀ helix	trans	-72.1	-19.9	-176	-55.5	73.9	-160.2	0	0	113.2	T1148	T1148-E1150 PolarHBondContact O-N 3.46Å
1151	R	94.2	Very high	95.3	Very high	189 Å²	189	62.7 Å²	62.7	71%	0.713	28%	0.282	S	S	*	.	G	3₁₀ helix	trans	-92.1	-8.5	177.5	-64.8	-171	-174.2	174.7	-0.9	113.1	E1146 T1148 P1149	E1146-R1151 HydrophobicContact CB-CB 4.37Å; T1148-R1151 PolarHBondContact O-N 2.7Å; T1148-R1151 VanDerWaalsContact O-N 3.13Å; T1148-R1151 WeakPolarHBondContact OG1-CB 3.22Å; T1148-R1151 WeakPolarHBondContact OG1-CD 2.93Å; T1148-R1151 WeakPolarHBondContact OG1-CG 3.4Å; P1149-R1151 VanDerWaalsContact C-N 3.27Å; P1149-R1151 PolarHBondContact O-N 3.26Å
1152	R	96.9	Very high	95.1	Very high	13 Å²	13	62.7 Å²	62.7	5%	0.049	28%	0.282	C	S	.	.	S	Bend	trans	-67.7	141.3	177.1	-68	176.4	-163.8	147.7	10.8	109.9	E1064 A1074 V1077 C1144 E1146 H1147 P1149	E1064-R1152 IonicContact OE1-CZ 3.56Å; E1064-R1152 IonicContact OE1-NH1 3.54Å; E1064-R1152 PolarHBondContact OE1-NH1 3.43Å; E1064-R1152 IonicContact OE1-NH2 2.66Å; E1064-R1152 PolarHBondContact OE1-NH2 3.19Å; E1064-R1152 IonicContact OE2-CZ 3.61Å; E1064-R1152 IonicContact OE2-NH1 2.76Å; E1064-R1152 IonicContact OE2-NH2 3.43Å; E1064-R1152 PolarHBondContact OE2-NH2 2.57Å; A1074-R1152 WeakPolarHBondContact O-CD 3.36Å; A1074-R1152 PolarHBondContact O-NH1 3.4Å; V1077-R1152 HydrophobicContact CG1-CB 4.22Å; C1144-R1152 WeakPolarHBondContact O-CD 3.29Å; E1146-R1152 HydrophobicContact CB-CG 3.81Å; E1146-R1152 PolarHBondContact O-NE 3.17Å; E1146-R1152 PolarHBondContact O-NH2 2.96Å; H1147-R1152 PolarHBondContact O-NH2 2.86Å; P1149-R1152 WeakPolarHBondContact O-CB 3.39Å; P1149-R1152 PolarHBondContact O-N 3.47Å
1153	I	97.1	Very high	94.9	Very high	20 Å²	20	58.6 Å²	58.6	10%	0.103	27%	0.271	C	S	.	.	P	Polyproline II helix	trans	-60.5	140.7	172.8	-171	170.1	0	0	0	110.3	V1077 L1140 K1143 R1157 L1158 E1161	V1077-I1153 HydrophobicContact CG1-CG2 4.29Å; V1077-I1153 WeakPolarHBondContact CG1-O 3.45Å; L1140-I1153 HydrophobicContact CD2-CD1 3.94Å; K1143-I1153 HydrophobicContact CB-CB 4.18Å; K1143-I1153 HydrophobicContact CB-CG2 3.93Å; K1143-I1153 HydrophobicContact CD-CD1 4.4Å; I1153-R1157 HydrophobicContact CD1-CB 4.24Å; I1153-R1157 HydrophobicContact CD1-CG 3.87Å; I1153-R1157 HydrophobicContact CG1-CB 3.77Å; I1153-R1157 HydrophobicContact CG1-CG 3.81Å; I1153-L1158 HydrophobicContact CB-CG 4.49Å; I1153-L1158 HydrophobicContact CD1-CD2 3.93Å; I1153-L1158 HydrophobicContact CD1-CG 4Å; I1153-L1158 HydrophobicContact CG1-CD2 4.43Å; I1153-L1158 HydrophobicContact CG1-CG 4.05Å; I1153-L1158 HydrophobicContact CG2-CD1 3.95Å; I1153-L1158 HydrophobicContact CG2-CD2 3.78Å; I1153-L1158 HydrophobicContact CG2-CG 3.73Å; I1153-E1161 HydrophobicContact CD1-CG 4.41Å
1154	T	96.4	Very high	94.6	Very high	82 Å²	82	57.8 Å²	57.8	50%	0.503	27%	0.27	S	S	.	.	P	Polyproline II helix	trans	-82	157.7	178.3	60.5	0	0	0	0	111.5	K1156 R1157 L1158	T1154-K1156 VanDerWaalsContact C-N 3.33Å; T1154-K1156 PolarHBondContact O-N 3.19Å; T1154-R1157 PolarHBondContact O-N 3.05Å; T1154-R1157 PolarHBondContact OG1-N 3.34Å; T1154-L1158 PolarHBondContact O-N 3.48Å
1155	F	97.4	Very high	94.1	Very high	15 Å²	15	59 Å²	59	7%	0.066	28%	0.276	C	S	.	.	H	α-helix	trans	-55.5	-46	173.7	-77.8	-64	0	0	0	112.3	C1001 M1004 D1005 L1017 D1076 V1077 F1080 R1157 L1158 I1159	C1001-F1155 HydrophobicContact CB-CD1 4.08Å; M1004-F1155 HydrophobicContact CB-CD1 3.84Å; M1004-F1155 HydrophobicContact CB-CD2 3.77Å; M1004-F1155 HydrophobicContact CB-CE1 3.64Å; M1004-F1155 HydrophobicContact CB-CE2 3.58Å; M1004-F1155 HydrophobicContact CB-CG 3.91Å; M1004-F1155 HydrophobicContact CB-CZ 3.51Å; M1004-F1155 HydrophobicContact CE-CE2 4.07Å; M1004-F1155 HydrophobicContact CE-CZ 4.08Å; M1004-F1155 HydrophobicContact CG-CE1 4.04Å; M1004-F1155 HydrophobicContact CG-CE2 4.32Å; M1004-F1155 HydrophobicContact CG-CZ 3.85Å; D1005-F1155 HydrophobicContact CB-CB 3.94Å; L1017-F1155 HydrophobicContact CD2-CZ 4.27Å; D1076-F1155 HydrophobicContact CB-CE2 4.07Å; D1076-F1155 HydrophobicContact CB-CZ 4.26Å; V1077-F1155 HydrophobicContact CG2-CD2 3.91Å; V1077-F1155 HydrophobicContact CG2-CE2 3.73Å; V1077-F1155 HydrophobicContact CG2-CG 4.43Å; V1077-F1155 HydrophobicContact CG2-CZ 4.13Å; F1080-F1155 HydrophobicContact CB-CE1 3.57Å; F1080-F1155 HydrophobicContact CB-CZ 3.87Å; F1080-F1155 HydrophobicContact CD1-CE1 4.15Å; F1080-F1155 HydrophobicContact CD2-CE1 4.13Å; F1080-F1155 AromaticContact CG-CE1 3.67Å; F1080-F1155 HydrophobicContact CG-CE1 3.67Å; F1080-F1155 HydrophobicContact CG-CZ 4.45Å; F1155-R1157 VanDerWaalsContact C-N 3.29Å; F1155-R1157 PolarHBondContact O-N 3.32Å; F1155-L1158 HydrophobicContact CD1-CD1 4.17Å; F1155-L1158 WeakPolarHBondContact O-CB 3.42Å; F1155-L1158 PolarHBondContact O-N 3.08Å; F1155-L1158 VanDerWaalsContact O-N 3.11Å; F1155-I1159 WeakPolarHBondContact O-CG1 3.24Å; F1155-I1159 PolarHBondContact O-N 3.43Å
1156	K	94.6	Very high	93.7	Very high	131 Å²	131	60 Å²	60	57%	0.57	28%	0.281	S	S	*	.	H	α-helix	trans	-49.2	-46.4	171.4	-171.4	173.1	-177.4	174.8	0	113.6	D1005 T1154 I1159 E1160	D1005-K1156 PolarHBondContact OD1-N 3.31Å; T1154-K1156 VanDerWaalsContact C-N 3.33Å; T1154-K1156 PolarHBondContact O-N 3.19Å; K1156-I1159 PolarHBondContact O-N 3.45Å; K1156-E1160 PolarHBondContact O-N 2.95Å
1157	R	95.6	Very high	92.9	Very high	119 Å²	119	61.2 Å²	61.2	45%	0.449	29%	0.286	S	S	.	.	H	α-helix	trans	-74.2	-33.9	179.7	-172.8	59	-179	-163.2	1	112.6	I1153 T1154 F1155 I1159 E1160 E1161	I1153-R1157 HydrophobicContact CD1-CB 4.24Å; I1153-R1157 HydrophobicContact CD1-CG 3.87Å; I1153-R1157 HydrophobicContact CG1-CB 3.77Å; I1153-R1157 HydrophobicContact CG1-CG 3.81Å; T1154-R1157 PolarHBondContact O-N 3.05Å; T1154-R1157 PolarHBondContact OG1-N 3.34Å; F1155-R1157 VanDerWaalsContact C-N 3.29Å; F1155-R1157 PolarHBondContact O-N 3.32Å; R1157-I1159 VanDerWaalsContact C-N 3.3Å; R1157-I1159 PolarHBondContact O-N 2.86Å; R1157-E1160 WeakPolarHBondContact CD-OE2 3.44Å; R1157-E1160 IonicContact CZ-OE2 3.38Å; R1157-E1160 IonicContact NE-OE2 2.71Å; R1157-E1160 IonicContact NH1-OE2 3.59Å; R1157-E1160 PolarHBondContact NH1-OE2 2.89Å; R1157-E1160 PolarHBondContact O-N 3.33Å; R1157-E1161 HydrophobicContact CG-CG 4.34Å; R1157-E1161 IonicContact CZ-OE1 2.73Å; R1157-E1161 IonicContact NE-OE1 2.77Å; R1157-E1161 PolarHBondContact NE-OE1 2.89Å; R1157-E1161 IonicContact NH2-OE1 3.81Å; R1157-E1161 PolarHBondContact NH2-OE1 3.26Å; R1157-E1161 WeakPolarHBondContact O-CG 3.27Å; R1157-E1161 PolarHBondContact O-N 2.93Å
1158	L	96.9	Very high	92.3	Very high	0 Å²	0	61.2 Å²	61.2	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-60	-40.7	172.3	-78.6	162.6	0	0	0	111.6	V1077 F1080 L1140 I1153 T1154 F1155 E1160 E1161 L1162	V1077-L1158 HydrophobicContact CG1-CD1 4.28Å; F1080-L1158 HydrophobicContact CD1-CD1 3.68Å; F1080-L1158 HydrophobicContact CE1-CD1 3.82Å; F1080-L1158 HydrophobicContact CE1-CD2 4.23Å; F1080-L1158 HydrophobicContact CE1-CG 4.48Å; L1140-L1158 HydrophobicContact CB-CD2 4.36Å; L1140-L1158 HydrophobicContact CD2-CD2 4.43Å; I1153-L1158 HydrophobicContact CB-CG 4.49Å; I1153-L1158 HydrophobicContact CD1-CD2 3.93Å; I1153-L1158 HydrophobicContact CD1-CG 4Å; I1153-L1158 HydrophobicContact CG1-CD2 4.43Å; I1153-L1158 HydrophobicContact CG1-CG 4.05Å; I1153-L1158 HydrophobicContact CG2-CD1 3.95Å; I1153-L1158 HydrophobicContact CG2-CD2 3.78Å; I1153-L1158 HydrophobicContact CG2-CG 3.73Å; T1154-L1158 PolarHBondContact O-N 3.48Å; F1155-L1158 HydrophobicContact CD1-CD1 4.17Å; F1155-L1158 WeakPolarHBondContact O-CB 3.42Å; F1155-L1158 PolarHBondContact O-N 3.08Å; F1155-L1158 VanDerWaalsContact O-N 3.11Å; L1158-E1160 VanDerWaalsContact C-N 3.34Å; L1158-E1160 PolarHBondContact O-N 2.68Å; L1158-E1161 PolarHBondContact O-N 3.06Å; L1158-L1162 HydrophobicContact CB-CD1 4.42Å; L1158-L1162 WeakPolarHBondContact O-CD1 3.43Å; L1158-L1162 WeakPolarHBondContact O-CB 3.42Å; L1158-L1162 PolarHBondContact O-N 2.78Å; L1158-L1162 WeakPolarHBondContact O-CG 3.39Å
1159	I	96.6	Very high	91.4	Very high	28 Å²	28	61.8 Å²	61.8	14%	0.144	29%	0.286	C	S	.	.	H	α-helix	trans	-58.1	-47.6	175.9	-65	163.3	0	0	0	110.4	I998 C1001 R1002 D1005 F1155 K1156 R1157 S1163	I998-I1159 HydrophobicContact CG2-CG2 4.39Å; C1001-I1159 HydrophobicContact CB-CD1 4.18Å; C1001-I1159 HydrophobicContact CB-CG1 3.47Å; C1001-I1159 VanDerWaalsContact CB-CG1 3.47Å; R1002-I1159 HydrophobicContact CB-CD1 4.48Å; R1002-I1159 HydrophobicContact CG-CD1 3.84Å; R1002-I1159 HydrophobicContact CG-CG1 4.25Å; D1005-I1159 HydrophobicContact CB-CD1 4.2Å; F1155-I1159 WeakPolarHBondContact O-CG1 3.24Å; F1155-I1159 PolarHBondContact O-N 3.43Å; K1156-I1159 PolarHBondContact O-N 3.45Å; R1157-I1159 VanDerWaalsContact C-N 3.3Å; R1157-I1159 PolarHBondContact O-N 2.86Å; I1159-S1163 VanDerWaalsContact O-CB 3.23Å; I1159-S1163 WeakPolarHBondContact O-CB 3.27Å; I1159-S1163 PolarHBondContact O-N 3.47Å; I1159-S1163 PolarHBondContact O-OG 3.35Å
1160	E	93.4	Very high	90	Very high	81 Å²	81	65.2 Å²	65.2	38%	0.379	30%	0.3	S	S	.	.	H	α-helix	trans	-59.9	-54	178.9	-66.5	171.6	-174.7	0	0	111.5	K1156 R1157 L1158 S1163 I1164	K1156-E1160 PolarHBondContact O-N 2.95Å; R1157-E1160 WeakPolarHBondContact CD-OE2 3.44Å; R1157-E1160 IonicContact CZ-OE2 3.38Å; R1157-E1160 IonicContact NE-OE2 2.71Å; R1157-E1160 IonicContact NH1-OE2 3.59Å; R1157-E1160 PolarHBondContact NH1-OE2 2.89Å; R1157-E1160 PolarHBondContact O-N 3.33Å; L1158-E1160 VanDerWaalsContact C-N 3.34Å; L1158-E1160 PolarHBondContact O-N 2.68Å; E1160-S1163 PolarHBondContact O-N 2.57Å; E1160-I1164 WeakPolarHBondContact O-CG1 3.26Å; E1160-I1164 PolarHBondContact O-N 3.02Å; E1160-I1164 VanDerWaalsContact O-N 3.14Å
1161	E	94.6	Very high	88.1	Confident	49 Å²	49	64.1 Å²	64.1	23%	0.229	30%	0.295	C	S	.	.	H	α-helix	trans	-66.9	-41.8	-175.5	-62.6	-73.4	164.9	0	0	112.2	L1140 I1153 R1157 L1158 I1164 L1165	L1140-E1161 HydrophobicContact CD1-CB 4.03Å; L1140-E1161 HydrophobicContact CD2-CB 3.82Å; L1140-E1161 HydrophobicContact CD2-CG 4.18Å; I1153-E1161 HydrophobicContact CD1-CG 4.41Å; R1157-E1161 HydrophobicContact CG-CG 4.34Å; R1157-E1161 IonicContact CZ-OE1 2.73Å; R1157-E1161 IonicContact NE-OE1 2.77Å; R1157-E1161 PolarHBondContact NE-OE1 2.89Å; R1157-E1161 IonicContact NH2-OE1 3.81Å; R1157-E1161 PolarHBondContact NH2-OE1 3.26Å; R1157-E1161 WeakPolarHBondContact O-CG 3.27Å; R1157-E1161 PolarHBondContact O-N 2.93Å; L1158-E1161 PolarHBondContact O-N 3.06Å; E1161-I1164 PolarHBondContact O-N 3.28Å; E1161-L1165 WeakPolarHBondContact O-CG 3.33Å; E1161-L1165 VanDerWaalsContact O-N 3.1Å; E1161-L1165 PolarHBondContact O-N 3.14Å
1162	L	93.4	Very high	85.9	Confident	0 Å²	0	61.8 Å²	61.8	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-67.1	-36.9	177.3	-69.7	169.4	0	0	0	112	L994 C997 I998 F1080 M1084 L1140 L1158 I1164 L1165 Q1166	L994-L1162 HydrophobicContact CD2-CD2 4.02Å; C997-L1162 HydrophobicContact CB-CD1 3.97Å; I998-L1162 HydrophobicContact CD1-CB 4.14Å; I998-L1162 HydrophobicContact CG1-CB 3.56Å; I998-L1162 HydrophobicContact CG1-CD1 4.43Å; F1080-L1162 HydrophobicContact CE1-CD1 4.42Å; F1080-L1162 HydrophobicContact CZ-CD1 4.16Å; M1084-L1162 HydrophobicContact CE-CD2 3.44Å; M1084-L1162 VanDerWaalsContact CE-CD2 3.44Å; L1140-L1162 HydrophobicContact CD1-CD2 3.57Å; L1140-L1162 HydrophobicContact CD1-CG 3.95Å; L1158-L1162 HydrophobicContact CB-CD1 4.42Å; L1158-L1162 WeakPolarHBondContact O-CD1 3.43Å; L1158-L1162 WeakPolarHBondContact O-CB 3.42Å; L1158-L1162 PolarHBondContact O-N 2.78Å; L1158-L1162 WeakPolarHBondContact O-CG 3.39Å; L1162-I1164 VanDerWaalsContact C-N 3.33Å; L1162-I1164 PolarHBondContact O-N 3.11Å; L1162-L1165 PolarHBondContact O-N 2.66Å; L1162-Q1166 WeakPolarHBondContact O-CB 2.88Å; L1162-Q1166 PolarHBondContact O-N 2.63Å
1163	S	91.8	Very high	83.2	Confident	23 Å²	23	65.1 Å²	65.1	16%	0.161	32%	0.322	C	S	.	.	H	α-helix	trans	-63.7	-40.4	176.3	-60.1	0	0	0	0	111.4	I1159 E1160 Q1166 Q1167	I1159-S1163 VanDerWaalsContact O-CB 3.23Å; I1159-S1163 WeakPolarHBondContact O-CB 3.27Å; I1159-S1163 PolarHBondContact O-N 3.47Å; I1159-S1163 PolarHBondContact O-OG 3.35Å; E1160-S1163 PolarHBondContact O-N 2.57Å; S1163-Q1166 PolarHBondContact O-N 3.47Å; S1163-Q1167 PolarHBondContact O-N 3.32Å; S1163-Q1167 VanDerWaalsContact O-CG 3.32Å; S1163-Q1167 WeakPolarHBondContact O-CG 3.4Å
1164	I	90.4	Very high	80	Confident	72 Å²	72	73.4 Å²	73.4	37%	0.369	37%	0.365	S	S	.	.	H	α-helix	trans	-61.9	-45.8	174.6	-66.5	164	0	0	0	110.4	E1160 E1161 L1162 Q1166 Q1167 H1168	E1160-I1164 WeakPolarHBondContact O-CG1 3.26Å; E1160-I1164 PolarHBondContact O-N 3.02Å; E1160-I1164 VanDerWaalsContact O-N 3.14Å; E1161-I1164 PolarHBondContact O-N 3.28Å; L1162-I1164 VanDerWaalsContact C-N 3.33Å; L1162-I1164 PolarHBondContact O-N 3.11Å; I1164-Q1166 VanDerWaalsContact C-N 3.34Å; I1164-Q1166 PolarHBondContact O-N 2.82Å; I1164-Q1167 PolarHBondContact O-N 3.01Å; I1164-H1168 PolarHBondContact O-CD2 3.31Å; I1164-H1168 PolarHBondContact O-N 3.06Å
1165	L	88.4	Confident	79.2	Confident	24 Å²	24	73 Å²	73	13%	0.126	36%	0.359	C	S	.	.	H	α-helix	trans	-63.3	-39.7	178.6	-67.8	178.4	0	0	0	112.5	L994 R1136 V1137 L1140 E1161 L1162 H1168 H1169	L994-L1165 HydrophobicContact CD1-CB 4.31Å; R1136-L1165 HydrophobicContact CB-CD1 4.13Å; R1136-L1165 HydrophobicContact CB-CD2 3.7Å; R1136-L1165 HydrophobicContact CG-CD2 4.3Å; V1137-L1165 HydrophobicContact CG2-CD1 3.98Å; L1140-L1165 HydrophobicContact CD1-CD1 3.65Å; E1161-L1165 WeakPolarHBondContact O-CG 3.33Å; E1161-L1165 VanDerWaalsContact O-N 3.1Å; E1161-L1165 PolarHBondContact O-N 3.14Å; L1162-L1165 PolarHBondContact O-N 2.66Å; L1165-H1168 PolarHBondContact O-N 3.18Å; L1165-H1169 PolarHBondContact O-N 3.11Å
1166	Q	86.8	Confident	78.3	Confident	29 Å²	29	76.1 Å²	76.1	14%	0.136	37%	0.374	C	S	.	.	H	α-helix	trans	-63.8	-44.7	176.8	-170.8	-176.4	38.9	0	0	111.6	G991 L994 S995 I998 L1162 S1163 I1164 H1169 Q1170	G991-Q1166 PolarHBondContact O-NE2 3.37Å; L994-Q1166 HydrophobicContact CB-CB 4.29Å; L994-Q1166 HydrophobicContact CB-CG 4.41Å; L994-Q1166 HydrophobicContact CD1-CB 4.36Å; S995-Q1166 VanDerWaalsContact CB-NE2 3.29Å; I998-Q1166 HydrophobicContact CD1-CB 4.26Å; I998-Q1166 VanDerWaalsContact CD1-OE1 3.31Å; L1162-Q1166 WeakPolarHBondContact O-CB 2.88Å; L1162-Q1166 PolarHBondContact O-N 2.63Å; S1163-Q1166 PolarHBondContact O-N 3.47Å; I1164-Q1166 VanDerWaalsContact C-N 3.34Å; I1164-Q1166 PolarHBondContact O-N 2.82Å; Q1166-H1169 PolarHBondContact O-N 2.94Å; Q1166-Q1170 WeakPolarHBondContact O-CG 3.23Å; Q1166-Q1170 PolarHBondContact O-N 2.65Å
1167	Q	80	Confident	77.3	Confident	104 Å²	104	73 Å²	73	49%	0.486	36%	0.363	S	S	.	.	H	α-helix	trans	-62.9	-43.3	177	-72.9	174.5	-2.1	0	0	112.3	S1163 I1164 H1169 Q1170 Q1171	S1163-Q1167 PolarHBondContact O-N 3.32Å; S1163-Q1167 VanDerWaalsContact O-CG 3.32Å; S1163-Q1167 WeakPolarHBondContact O-CG 3.4Å; I1164-Q1167 PolarHBondContact O-N 3.01Å; Q1167-H1169 VanDerWaalsContact C-N 3.3Å; Q1167-H1169 PolarHBondContact O-N 3.18Å; Q1167-Q1170 PolarHBondContact O-N 2.96Å; Q1167-Q1171 WeakPolarHBondContact O-CG 3.09Å; Q1167-Q1171 PolarHBondContact O-N 2.57Å; Q1167-Q1171 VanDerWaalsContact O-N 3.07Å
1168	H	77.2	Confident	76.3	Confident	86 Å²	86	70.3 Å²	70.3	40%	0.398	36%	0.358	S	S	.	.	H	α-helix	trans	-62.1	-37.7	176.2	-81.6	-136	0	0	0	112.1	I1164 L1165 Q1171 N1172	I1164-H1168 PolarHBondContact O-CD2 3.31Å; I1164-H1168 PolarHBondContact O-N 3.06Å; L1165-H1168 PolarHBondContact O-N 3.18Å; H1168-Q1171 PolarHBondContact O-N 3.16Å; H1168-N1172 PolarHBondContact O-N 3.41Å
1169	H	72.8	Confident	75	Confident	61 Å²	61	74.7 Å²	74.7	28%	0.282	38%	0.38	S	S	.	.	H	α-helix	trans	-67.7	-43.2	176.8	-171.6	57.5	0	0	0	111.6	L1165 Q1166 Q1167 Q1171 N1172 S1173	L1165-H1169 PolarHBondContact O-N 3.11Å; Q1166-H1169 PolarHBondContact O-N 2.94Å; Q1167-H1169 VanDerWaalsContact C-N 3.3Å; Q1167-H1169 PolarHBondContact O-N 3.18Å; H1169-Q1171 VanDerWaalsContact C-N 3.27Å; H1169-Q1171 PolarHBondContact O-N 3.41Å; H1169-N1172 PolarHBondContact O-N 3.05Å; H1169-S1173 PolarHBondContact O-N 3.24Å; H1169-S1173 PolarHBondContact O-OG 3.38Å
1170	Q	63.5	Low	73.5	Confident	92 Å²	92	77.8 Å²	77.8	43%	0.43	40%	0.396	S	S	.	.	H	α-helix	trans	-61.1	-34.9	176.2	-73.1	174.6	-15.4	0	0	112.5	Q1166 Q1167	Q1166-Q1170 WeakPolarHBondContact O-CG 3.23Å; Q1166-Q1170 PolarHBondContact O-N 2.65Å; Q1167-Q1170 PolarHBondContact O-N 2.96Å
1171	Q	52.1	Low	72.1	Confident	128 Å²	128	77.6 Å²	77.6	60%	0.598	40%	0.397	S	S	*	.	H	α-helix	trans	-72.3	-30.4	176.9	-73.5	176.1	-3.6	0	0	114.3	Q1167 H1168 H1169	Q1167-Q1171 WeakPolarHBondContact O-CG 3.09Å; Q1167-Q1171 PolarHBondContact O-N 2.57Å; Q1167-Q1171 VanDerWaalsContact O-N 3.07Å; H1168-Q1171 PolarHBondContact O-N 3.16Å; H1169-Q1171 VanDerWaalsContact C-N 3.27Å; H1169-Q1171 PolarHBondContact O-N 3.41Å
1172	N	48	Very low	70.4	Confident	140 Å²	140	79.8 Å²	79.8	75%	0.749	41%	0.41	S	S	*	.	H	α-helix	trans	-87.8	-8.5	179	-71.8	-17.8	0	0	0	113.5	H1168 H1169	H1168-N1172 PolarHBondContact O-N 3.41Å; H1169-N1172 PolarHBondContact O-N 3.05Å
1173	S	40	Very low	68.5	Low	83 Å²	83	86.4 Å²	86.4	58%	0.58	45%	0.445	S	S	*	.			trans	-98.5	-9.7	-179.4	-46.9	0	0	0	0	113.1	H1169	H1169-S1173 PolarHBondContact O-N 3.24Å; H1169-S1173 PolarHBondContact O-OG 3.38Å
1174	L	30.8	Very low	66.4	Low	195 Å²	195	92.2 Å²	92.2	100%	1.021	47%	0.47	S	S	*	.			trans	-95.5	0	169.9	-77.4	161.1	0	0	0	109.1

Retrieved 1,174 of 1,174 residues in 446.5 ms (Link to these results)

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