A0A3Q0KF78_SCHMA Loading...

2-oxoglutarate dehydrogenase complex component E1

AlphaFold DB , UniProt , Accession A0A3Q0KF78, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,001 aa.

						>A0A3Q0KF78_SCHMA|A0A3Q0KF78
MLPLRALKTLRLQHITRKCLYTSALRYQNPTSNEPFLNGTSSNYLEDIYEAWLQNPDSVHKSWDIYFKCLASGAAPGNAYVQPPTLGKEGLKLAQLAPQITGRAVVPSLKTIEDHLSVQAIIRSYQSLGHRIADLDPLGILSADLDDSIPPELSLSFYNLGEPDLDKTFRLPPTTHIGGDKQELTLREIIKRLEDVYCKHIGIEYMFINSLNKCDWIRRKFETPGSMNLSSEEKRLILARLVRSTRFEAFLAKKWSSEKRFGLEGCEVLIPAMKAVIDSSSALGVESFVIGIPHRGRLNVLANVCRKPLDDVFCQFDSKLEACDEGSGDVKYHLGMSHQRLNHMTGKMINLAVCANPSHLEAVCPVAQGKTKAEQFYRGDTDGKKVMSILIHGDAAFSGQGVVYETFHLSDLPSYTTKGTIHIVVNNQIGFTTDPRMARSSPYCTDVARVTNSLILHANADDPESVMHVAKVAAEWRSEFGKDVVIDLVCYRRSGHNEMDEPMFTQPLMYKRIREQPTVLEQYSKKLIDSGIVTEQEFKDEVAKYDQICEDAYELAKKRTVTYNRAWIDSPWHNFFENKDPMYLPNTGVESDVLEHIGHVISEPPEGMVIHPGLKRALKERKDLLEQKTANWALGELFAYGSLLREGIHVRLSGQDVERGTFSHRHSVLHDQEVDKKTYVPLNHLYPSQAPFTVCNSSLSEYAVMGFELGYSLTNPEALVIWEAQFGDFNNTAQCIIDQFISSGQQKWVRQSGIVLLLPHGYEGMGPEHSSARIERFLQMCNDEENHVPVYSDNFVMQQLHDTNWIIANCTTPANFFHILRRQILLPFRKPLIVFTPKSLLRHPDARSPFSDMLPGSEFQRYIPDNGPASQKPENVKKLIICSGKIYYELDKERRSINREADIAISRVEQLTPFPYDLIQQDLERYPNAIIQWVQEEHKNMGPWSYVQPRANHLIFRTMPDRLHNKILYAGRQPSAATAAGNKAMHLMEISHYLKNALSLS
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	38.5	Very low	38.7	Very low	242 Å²	242	173.9 Å²	173.9	100%	1.192	88%	0.875	S	S	*	*				0	104.2	0	-60.9	-173.3	-127.6	0	0	106.4
2	L	41.6	Very low	38.5	Very low	183 Å²	183	171.8 Å²	171.8	96%	0.958	87%	0.867	S	S	*	*			cis	-120.5	136.5	10.4	-80.1	113.9	0	0	0	110.8
3	P	45.3	Very low	38.2	Very low	108 Å²	108	171.6 Å²	171.6	70%	0.701	86%	0.861	S	S	*	*			trans	-131.7	156.9	154.5	37	-24	0	0	0	111.7
4	L	40.9	Very low	37.8	Very low	160 Å²	160	173.2 Å²	173.2	84%	0.838	86%	0.864	S	S	*	*			trans	168.3	109.1	154.8	-90.4	148	0	0	0	108.1
5	R	38	Very low	37.7	Very low	231 Å²	231	171.9 Å²	171.9	87%	0.872	86%	0.858	S	S	*	*				63.5	117	85.9	-81.4	-173.4	171.1	178.4	-1.4	115.5
6	A	41.8	Very low	37.5	Very low	92 Å²	92	168.8 Å²	168.8	76%	0.76	85%	0.852	S	S	*	*				170.9	112.9	123.2	0	0	0	0	0	109.7
7	L	35.9	Very low	37.3	Very low	158 Å²	158	173.4 Å²	173.4	83%	0.827	86%	0.857	S	S	*	*				64.5	104.2	85.2	-92.3	154.3	0	0	0	114.9
8	K	37.3	Very low	37	Very low	197 Å²	197	173.7 Å²	173.7	86%	0.857	85%	0.852	S	S	*	*				170.5	142.7	106	-96	173.9	178.8	178.7	0	113.6
9	T	35.5	Very low	36.7	Very low	135 Å²	135	170.9 Å²	170.9	83%	0.828	85%	0.85	S	S	*	*			trans	-58.2	137.1	177	23.3	0	0	0	0	115.6
10	L	37.1	Very low	36.3	Very low	173 Å²	173	169.5 Å²	169.5	91%	0.906	85%	0.845	S	S	*	*			trans	-136.4	115.6	154	-95.4	158.5	0	0	0	108.5
11	R	34.4	Very low	36.2	Very low	234 Å²	234	172.2 Å²	172.2	88%	0.883	85%	0.847	S	S	*	*			trans	-76.5	128.5	164.1	-81.6	178.2	171.4	-175.3	-2.9	107.6
12	L	36.3	Very low	35.8	Very low	149 Å²	149	166.6 Å²	166.6	78%	0.78	83%	0.826	S	S	*	*			trans	-177.8	131.9	144.6	-99.5	142.2	0	0	0	110.4
13	Q	34.7	Very low	35.3	Very low	169 Å²	169	162 Å²	162	79%	0.79	81%	0.809	S	S	*	*			trans	75.7	112.8	154.8	-66.6	173.6	-15.6	0	0	119.8	I15	Q13-I15 PolarHBondContact O-N 3.38Å
14	H	32.1	Very low	34.7	Very low	194 Å²	194	161.7 Å²	161.7	90%	0.898	82%	0.816	S	S	*	*			trans	-44.6	122	158.8	-79.7	-66.4	0	0	0	112.1
15	I	36.6	Very low	34.2	Very low	153 Å²	153	160.5 Å²	160.5	79%	0.785	81%	0.81	S	S	*	*			trans	-128.6	101.2	154.4	-62.5	-180	0	0	0	106.9	Q13 R17	Q13-I15 PolarHBondContact O-N 3.38Å; I15-R17 PolarHBondContact O-N 3.23Å
16	T	34.3	Very low	33.9	Very low	123 Å²	123	160.6 Å²	160.6	76%	0.755	81%	0.81	S	S	*	*			trans	-58.8	109.4	163.3	21	0	0	0	0	108.8	K18	T16-K18 PolarHBondContact O-N 3.26Å
17	R	33.5	Very low	33.4	Very low	247 Å²	247	165.9 Å²	165.9	93%	0.932	81%	0.812	S	S	*	*			trans	-71.8	84.6	159.7	-86	-174.8	173	-168.6	-2.2	108	I15 C19	I15-R17 PolarHBondContact O-N 3.23Å; R17-C19 PolarHBondContact O-N 2.95Å
18	K	32.7	Very low	33.5	Very low	179 Å²	179	166.7 Å²	166.7	78%	0.778	81%	0.812	S	S	*	*			trans	-66.1	108.6	155.5	-92.2	-177.7	172.5	-178.8	0	106.6	T16 L20	T16-K18 PolarHBondContact O-N 3.26Å; K18-L20 VanDerWaalsContact C-N 3.32Å; K18-L20 PolarHBondContact O-N 3.07Å; K18-L20 VanDerWaalsContact O-N 3.07Å
19	C	30.7	Very low	34.1	Very low	121 Å²	121	162 Å²	162	82%	0.818	80%	0.796	S	S	*	*			trans	-64.9	103.6	156	-145.1	0	0	0	0	105.2	R17 Y21	R17-C19 PolarHBondContact O-N 2.95Å; C19-Y21 PolarHBondContact O-N 3.03Å
20	L	29.9	Very low	34.8	Very low	142 Å²	142	159.4 Å²	159.4	74%	0.743	78%	0.782	S	S	*	*			trans	-66.9	102	174.4	-79.4	157.6	0	0	0	106.7	K18 T22	K18-L20 VanDerWaalsContact C-N 3.32Å; K18-L20 PolarHBondContact O-N 3.07Å; K18-L20 VanDerWaalsContact O-N 3.07Å; L20-T22 PolarHBondContact O-N 3.46Å
21	Y	32.3	Very low	35.9	Very low	226 Å²	226	153 Å²	153	89%	0.886	75%	0.749	S	S	*	*			trans	-56.6	96.7	147.4	-86	-95.3	0	0	0	105.9	C19 S23	C19-Y21 PolarHBondContact O-N 3.03Å; Y21-S23 VanDerWaalsContact C-N 3.32Å; Y21-S23 PolarHBondContact O-N 3.02Å
22	T	30.1	Very low	37.4	Very low	124 Å²	124	146.3 Å²	146.3	76%	0.761	74%	0.739	S	S	*	*			trans	-64.9	104.2	160.2	43.7	0	0	0	0	105.5	L20 A24	L20-T22 PolarHBondContact O-N 3.46Å; T22-A24 PolarHBondContact O-N 3.36Å
23	S	31.9	Very low	39	Very low	86 Å²	86	143.1 Å²	143.1	60%	0.601	72%	0.723	S	S	*	*			trans	-36.4	126.8	155.9	51.9	0	0	0	0	107.9	Y21 L25	Y21-S23 VanDerWaalsContact C-N 3.32Å; Y21-S23 PolarHBondContact O-N 3.02Å; S23-L25 PolarHBondContact O-N 3.38Å
24	A	32.4	Very low	41	Very low	102 Å²	102	135.3 Å²	135.3	84%	0.843	69%	0.686	S	S	*	*			trans	-60.4	84.9	158.6	0	0	0	0	0	106.3	T22 R26	T22-A24 PolarHBondContact O-N 3.36Å; A24-R26 VanDerWaalsContact C-N 3.29Å; A24-R26 PolarHBondContact O-N 3Å
25	L	31.9	Very low	43	Very low	135 Å²	135	130.5 Å²	130.5	71%	0.707	67%	0.672	S	S	*	*			trans	-54.1	106.9	156.1	-90.1	148.9	0	0	0	103.3	S23 Y27	S23-L25 PolarHBondContact O-N 3.38Å; L25-Y27 PolarHBondContact O-N 3.04Å
26	R	30.8	Very low	45.1	Very low	233 Å²	233	125.1 Å²	125.1	88%	0.879	64%	0.643	S	S	*	*			trans	-52.2	96.6	156.1	-78.7	-177.8	-178.7	-179.4	0.5	104.5	A24 Q28	A24-R26 VanDerWaalsContact C-N 3.29Å; A24-R26 PolarHBondContact O-N 3Å; R26-Q28 PolarHBondContact O-N 2.77Å
27	Y	31	Very low	47.3	Very low	204 Å²	204	122.9 Å²	122.9	80%	0.8	63%	0.626	S	S	*	*			trans	-61.9	90.3	156.7	-103.4	-90.6	0	0	0	103.9	L25 N29	L25-Y27 PolarHBondContact O-N 3.04Å; Y27-N29 PolarHBondContact O-N 2.63Å
28	Q	38.3	Very low	49.3	Very low	174 Å²	174	114.2 Å²	114.2	81%	0.813	60%	0.598	S	S	*	*			trans	-59.9	97.4	155.4	-85.6	-176.1	-29.6	0	0	104	R26 P30	R26-Q28 PolarHBondContact O-N 2.77Å; Q28-P30 WeakPolarHBondContact O-CD 3.33Å; Q28-P30 VanDerWaalsContact O-N 3.1Å
29	N	48.8	Very low	51.5	Low	100 Å²	100	109.1 Å²	109.1	54%	0.535	60%	0.597	S	S	.	*			trans	-63	113.3	176.8	-146.4	-3.4	0	0	0	105.2	Y27 T31 S32	Y27-N29 PolarHBondContact O-N 2.63Å; N29-T31 PolarHBondContact ND2-OG1 3.24Å; N29-T31 PolarHBondContact O-N 3.2Å; N29-T31 PolarHBondContact OD1-OG1 3.11Å; N29-S32 PolarHBondContact O-N 3.46Å; N29-S32 VanDerWaalsContact O-N 3.12Å
30	P	50.6	Low	53.8	Low	80 Å²	80	109.8 Å²	109.8	52%	0.519	60%	0.597	S	S	.	*	G	3₁₀ helix	trans	-56.1	-22.7	-178.2	-21.8	32.7	0	0	0	111.4	Q28 S32 P76 G77	Q28-P30 WeakPolarHBondContact O-CD 3.33Å; Q28-P30 VanDerWaalsContact O-N 3.1Å; P30-S32 VanDerWaalsContact C-N 3.3Å; P30-S32 PolarHBondContact O-N 3.06Å; P30-P76 WeakPolarHBondContact CB-O 3.37Å; P30-G77 WeakPolarHBondContact O-CA 3.4Å
31	T	60.8	Low	56.2	Low	37 Å²	37	104.6 Å²	104.6	23%	0.227	57%	0.572	C	S	.	*	G	3₁₀ helix	trans	-77.5	5.5	-179.2	54.9	0	0	0	0	115.6	N29 N33 E34 L37 P76	N29-T31 PolarHBondContact ND2-OG1 3.24Å; N29-T31 PolarHBondContact O-N 3.2Å; N29-T31 PolarHBondContact OD1-OG1 3.11Å; T31-N33 PolarHBondContact O-N 3.26Å; T31-E34 CarbonylContact O-C 3.33Å; T31-E34 WeakPolarHBondContact O-CA 3.41Å; T31-E34 PolarHBondContact O-N 3Å; T31-L37 HydrophobicContact CG2-CD1 4.33Å; T31-P76 HydrophobicContact CG2-CB 4.32Å
32	S	65.8	Low	58.6	Low	95 Å²	95	96.5 Å²	96.5	66%	0.664	55%	0.549	S	S	*	.	G	3₁₀ helix	trans	-59.6	-28.1	177.7	62.7	0	0	0	0	113.5	N29 P30 E34	N29-S32 PolarHBondContact O-N 3.46Å; N29-S32 VanDerWaalsContact O-N 3.12Å; P30-S32 VanDerWaalsContact C-N 3.3Å; P30-S32 PolarHBondContact O-N 3.06Å; S32-E34 VanDerWaalsContact C-N 3.27Å; S32-E34 PolarHBondContact O-N 3.25Å
33	N	69.1	Low	61.2	Low	82 Å²	82	95.9 Å²	95.9	44%	0.439	54%	0.541	S	S	.	.	G	3₁₀ helix	trans	-76.9	-11.1	173.6	-73.1	-20.5	0	0	0	113.5	T31 P35 G77 Y80	T31-N33 PolarHBondContact O-N 3.26Å; N33-P35 WeakPolarHBondContact O-CD 3.46Å; N33-G77 WeakPolarHBondContact CB-O 3.38Å; N33-G77 PolarHBondContact ND2-O 3.43Å; N33-Y80 WeakPolarHBondContact O-CD1 3.18Å
34	E	78.2	Confident	63.9	Low	4 Å²	4	98.8 Å²	98.8	2%	0.019	54%	0.54	C	S	.	.			trans	-125.2	58.5	-175.1	-66.8	171	177.4	0	0	110.2	T31 S32 F36 L37 Y66 G77 A79 Y80	T31-E34 CarbonylContact O-C 3.33Å; T31-E34 WeakPolarHBondContact O-CA 3.41Å; T31-E34 PolarHBondContact O-N 3Å; S32-E34 VanDerWaalsContact C-N 3.27Å; S32-E34 PolarHBondContact O-N 3.25Å; E34-F36 HydrophobicContact CB-CE1 4.15Å; E34-F36 HydrophobicContact CB-CE2 4.35Å; E34-F36 HydrophobicContact CB-CZ 3.94Å; E34-F36 HydrophobicContact CG-CE1 4.32Å; E34-F36 HydrophobicContact CG-CZ 3.95Å; E34-F36 PolarHBondContact O-N 2.95Å; E34-L37 HydrophobicContact CB-CD1 3.69Å; E34-L37 HydrophobicContact CB-CG 4.01Å; E34-L37 HydrophobicContact CG-CD1 4.44Å; E34-L37 WeakPolarHBondContact O-CB 3.45Å; E34-L37 PolarHBondContact O-N 3.13Å; E34-L37 WeakPolarHBondContact OE2-CD1 3.37Å; E34-Y66 HydrophobicContact CG-CE2 4.14Å; E34-Y66 WeakPolarHBondContact OE1-CE2 3.41Å; E34-G77 VanDerWaalsContact CD-CA 3.45Å; E34-G77 WeakPolarHBondContact OE1-CA 3.46Å; E34-G77 PolarHBondContact OE1-N 3.3Å; E34-G77 PolarHBondContact OE2-N 3.43Å; E34-A79 PolarHBondContact OE1-N 3.29Å; E34-A79 VanDerWaalsContact OE1-N 3.11Å; E34-Y80 PolarHBondContact OE1-N 3.23Å
35	P	74.4	Confident	66.5	Low	93 Å²	93	95 Å²	95	60%	0.604	51%	0.505	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-15.3	-172.6	27.1	-35.9	0	0	0	113.9	N33 L37 N38	N33-P35 WeakPolarHBondContact O-CD 3.46Å; P35-L37 VanDerWaalsContact C-N 3.26Å; P35-L37 PolarHBondContact O-N 3.24Å; P35-N38 PolarHBondContact O-ND2 2.87Å
36	F	80.8	Confident	69.3	Low	40 Å²	40	94.7 Å²	94.7	18%	0.175	50%	0.5	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-14.9	173.3	54.9	-97.7	0	0	0	112.9	E34 N38 S41 L45 W63 Y66 Y80	E34-F36 HydrophobicContact CB-CE1 4.15Å; E34-F36 HydrophobicContact CB-CE2 4.35Å; E34-F36 HydrophobicContact CB-CZ 3.94Å; E34-F36 HydrophobicContact CG-CE1 4.32Å; E34-F36 HydrophobicContact CG-CZ 3.95Å; E34-F36 PolarHBondContact O-N 2.95Å; F36-N38 PolarHBondContact O-N 2.81Å; F36-S41 WeakPolarHBondContact O-CB 3.43Å; F36-S41 PolarHBondContact O-OG 3.28Å; F36-L45 HydrophobicContact CD2-CD1 4.11Å; F36-L45 HydrophobicContact CD2-CD2 3.96Å; F36-L45 HydrophobicContact CD2-CG 4.46Å; F36-L45 HydrophobicContact CE2-CD2 4.15Å; F36-L45 WeakPolarHBondContact O-CD1 3.3Å; F36-W63 AromaticContact CD2-CH2 3.73Å; F36-W63 HydrophobicContact CD2-CH2 3.73Å; F36-W63 HydrophobicContact CD2-CZ3 4.2Å; F36-W63 AromaticContact CE2-CH2 3.77Å; F36-W63 HydrophobicContact CE2-CH2 3.77Å; F36-W63 AromaticContact CE2-CZ3 3.78Å; F36-W63 HydrophobicContact CE2-CZ3 3.78Å; F36-W63 HydrophobicContact CG-CH2 4.16Å; F36-W63 HydrophobicContact CZ-CH2 4.24Å; F36-W63 HydrophobicContact CZ-CZ3 4.19Å; F36-Y66 HydrophobicContact CE2-CE1 4.07Å; F36-Y66 HydrophobicContact CE2-CE2 4.07Å; F36-Y66 AromaticContact CE2-CZ 3.69Å; F36-Y66 HydrophobicContact CZ-CD2 4.15Å; F36-Y66 HydrophobicContact CZ-CE1 4.36Å; F36-Y66 AromaticContact CZ-CE2 3.64Å; F36-Y66 HydrophobicContact CZ-CE2 3.64Å; F36-Y66 AromaticContact CZ-CZ 3.77Å; F36-Y80 AromaticContact CE1-CD2 3.87Å; F36-Y80 HydrophobicContact CE1-CD2 3.87Å; F36-Y80 HydrophobicContact CE1-CE2 4.35Å; F36-Y80 HydrophobicContact CE1-CG 4Å; F36-Y80 HydrophobicContact CZ-CD2 4.28Å; F36-Y80 HydrophobicContact CZ-CG 4.39Å
37	L	78.8	Confident	72.2	Confident	77 Å²	77	88.9 Å²	88.9	40%	0.403	49%	0.487	S	S	.	.			trans	-78	57.1	172.4	-65.2	177.5	0	0	0	111.5	T31 E34 P35 L45	T31-L37 HydrophobicContact CG2-CD1 4.33Å; E34-L37 HydrophobicContact CB-CD1 3.69Å; E34-L37 HydrophobicContact CB-CG 4.01Å; E34-L37 HydrophobicContact CG-CD1 4.44Å; E34-L37 WeakPolarHBondContact O-CB 3.45Å; E34-L37 PolarHBondContact O-N 3.13Å; E34-L37 WeakPolarHBondContact OE2-CD1 3.37Å; P35-L37 VanDerWaalsContact C-N 3.26Å; P35-L37 PolarHBondContact O-N 3.24Å; L37-L45 HydrophobicContact CD2-CD1 3.95Å; L37-L45 HydrophobicContact CD2-CD2 4.5Å
38	N	77	Confident	75.1	Confident	65 Å²	65	80.2 Å²	80.2	35%	0.348	45%	0.454	S	S	.	.	S	Bend	trans	-117.9	157	174.7	64	49.3	0	0	0	110.7	P35 F36 T40 S41	P35-N38 PolarHBondContact O-ND2 2.87Å; F36-N38 PolarHBondContact O-N 2.81Å; N38-T40 PolarHBondContact O-N 3.16Å; N38-T40 VanDerWaalsContact O-N 3.1Å; N38-T40 PolarHBondContact OD1-N 3.23Å; N38-T40 PolarHBondContact OD1-OG1 3.45Å; N38-S41 PolarHBondContact O-N 2.8Å; N38-S41 PolarHBondContact OD1-N 3.07Å; N38-S41 VanDerWaalsContact OD1-N 3.14Å; N38-S41 PolarHBondContact OD1-OG 2.88Å
39	G	77.3	Confident	77.7	Confident	72 Å²	72	76.9 Å²	76.9	74%	0.742	44%	0.435	S	S	*	.	G	3₁₀ helix	trans	-60.2	-23.8	-175.6	0	0	0	0	0	114.5	S41	G39-S41 VanDerWaalsContact C-N 3.29Å; G39-S41 PolarHBondContact O-N 3.23Å
40	T	78.6	Confident	79.9	Confident	135 Å²	135	78.2 Å²	78.2	83%	0.828	44%	0.438	S	S	*	.	G	3₁₀ helix	trans	-73.4	-17.4	175.2	31.1	0	0	0	0	114	N38	N38-T40 PolarHBondContact O-N 3.16Å; N38-T40 VanDerWaalsContact O-N 3.1Å; N38-T40 PolarHBondContact OD1-N 3.23Å; N38-T40 PolarHBondContact OD1-OG1 3.45Å
41	S	82.3	Confident	82	Confident	32 Å²	32	76 Å²	76	22%	0.224	43%	0.426	C	S	.	.	G	3₁₀ helix	trans	-108.1	3.2	-176	-46.2	0	0	0	0	113.4	F36 N38 G39 N43 Y44 L45	F36-S41 WeakPolarHBondContact O-CB 3.43Å; F36-S41 PolarHBondContact O-OG 3.28Å; N38-S41 PolarHBondContact O-N 2.8Å; N38-S41 PolarHBondContact OD1-N 3.07Å; N38-S41 VanDerWaalsContact OD1-N 3.14Å; N38-S41 PolarHBondContact OD1-OG 2.88Å; G39-S41 VanDerWaalsContact C-N 3.29Å; G39-S41 PolarHBondContact O-N 3.23Å; S41-N43 PolarHBondContact O-N 2.68Å; S41-Y44 PolarHBondContact O-N 3.22Å; S41-L45 PolarHBondContact O-N 2.76Å; S41-L45 VanDerWaalsContact O-N 3.11Å
42	S	82.3	Confident	83.7	Confident	56 Å²	56	75.6 Å²	75.6	39%	0.392	42%	0.42	S	S	.	.	H	α-helix	trans	-59.6	-48.2	-169.1	67.3	0	0	0	0	113.1	Y44 L45 E46	S42-Y44 VanDerWaalsContact C-N 3.3Å; S42-Y44 PolarHBondContact O-N 2.94Å; S42-L45 PolarHBondContact O-N 2.99Å; S42-E46 PolarHBondContact O-N 3.25Å
43	N	84.8	Confident	85	Confident	112 Å²	112	76 Å²	76	60%	0.599	42%	0.415	S	S	*	.	H	α-helix	trans	-62.9	-39.5	-178.3	-66.4	-0	0	0	0	111.4	S41 L45 E46 D47	S41-N43 PolarHBondContact O-N 2.68Å; N43-L45 PolarHBondContact O-N 2.95Å; N43-E46 PolarHBondContact O-N 2.91Å; N43-D47 PolarHBondContact O-N 3.3Å
44	Y	87	Confident	86.2	Confident	146 Å²	146	80.6 Å²	80.6	57%	0.573	43%	0.434	S	S	*	.	H	α-helix	trans	-65.2	-39.5	178.4	-179.9	-105.8	0	0	0	112.1	S41 S42 I48 W63	S41-Y44 PolarHBondContact O-N 3.22Å; S42-Y44 VanDerWaalsContact C-N 3.3Å; S42-Y44 PolarHBondContact O-N 2.94Å; Y44-I48 HydrophobicContact CD1-CD1 3.87Å; Y44-I48 HydrophobicContact CD2-CD1 4.33Å; Y44-I48 HydrophobicContact CE1-CD1 3.3Å; Y44-I48 HydrophobicContact CE1-CG1 4.5Å; Y44-I48 HydrophobicContact CE2-CD1 3.82Å; Y44-I48 HydrophobicContact CE2-CG1 4.44Å; Y44-I48 HydrophobicContact CG-CD1 4.36Å; Y44-I48 VanDerWaalsContact O-CG1 3.31Å; Y44-I48 WeakPolarHBondContact O-CG1 3.5Å; Y44-I48 PolarHBondContact O-N 2.84Å; Y44-I48 WeakPolarHBondContact OH-CD1 3.45Å; Y44-W63 HydrophobicContact CE1-CZ2 4.45Å
45	L	88.3	Confident	86.9	Confident	24 Å²	24	84 Å²	84	13%	0.126	45%	0.452	C	S	.	.	H	α-helix	trans	-67.4	-40.8	175.7	-90.4	151.8	0	0	0	112.6	F36 L37 S41 S42 N43 Y49 W63	F36-L45 HydrophobicContact CD2-CD1 4.11Å; F36-L45 HydrophobicContact CD2-CD2 3.96Å; F36-L45 HydrophobicContact CD2-CG 4.46Å; F36-L45 HydrophobicContact CE2-CD2 4.15Å; F36-L45 WeakPolarHBondContact O-CD1 3.3Å; L37-L45 HydrophobicContact CD2-CD1 3.95Å; L37-L45 HydrophobicContact CD2-CD2 4.5Å; S41-L45 PolarHBondContact O-N 2.76Å; S41-L45 VanDerWaalsContact O-N 3.11Å; S42-L45 PolarHBondContact O-N 2.99Å; N43-L45 PolarHBondContact O-N 2.95Å; L45-Y49 VanDerWaalsContact O-CB 3.32Å; L45-Y49 WeakPolarHBondContact O-CB 3.42Å; L45-Y49 PolarHBondContact O-N 3.02Å; L45-W63 HydrophobicContact CD2-CH2 3.63Å; L45-W63 HydrophobicContact CD2-CZ3 3.59Å; L45-W63 HydrophobicContact CG-CH2 4.45Å
46	E	89.3	Confident	87.6	Confident	128 Å²	128	82 Å²	82	60%	0.598	44%	0.439	S	S	*	.	H	α-helix	trans	-62	-48.2	175.8	-80.4	-176.1	165.5	0	0	111.3	S42 N43 I48 Y49 E50	S42-E46 PolarHBondContact O-N 3.25Å; N43-E46 PolarHBondContact O-N 2.91Å; E46-I48 VanDerWaalsContact C-N 3.33Å; E46-I48 PolarHBondContact O-N 3.31Å; E46-Y49 PolarHBondContact O-N 3.26Å; E46-Y49 VanDerWaalsContact O-N 3.12Å; E46-E50 PolarHBondContact O-N 2.94Å
47	D	91.8	Very high	88.2	Confident	111 Å²	111	86.8 Å²	86.8	59%	0.594	47%	0.466	S	S	*	.	H	α-helix	trans	-58.7	-43.4	179	-72.7	-18.7	0	0	0	112.1	N43 A51	N43-D47 PolarHBondContact O-N 3.3Å; D47-A51 WeakPolarHBondContact O-CB 3.32Å; D47-A51 PolarHBondContact O-N 3.32Å
48	I	93	Very high	88.9	Confident	21 Å²	21	86.4 Å²	86.4	11%	0.108	47%	0.47	C	S	.	.	H	α-helix	trans	-68.7	-39.3	177.5	-64.8	178.1	0	0	0	110.7	Y44 E46 A51 W52 V59 W63 F67	Y44-I48 HydrophobicContact CD1-CD1 3.87Å; Y44-I48 HydrophobicContact CD2-CD1 4.33Å; Y44-I48 HydrophobicContact CE1-CD1 3.3Å; Y44-I48 HydrophobicContact CE1-CG1 4.5Å; Y44-I48 HydrophobicContact CE2-CD1 3.82Å; Y44-I48 HydrophobicContact CE2-CG1 4.44Å; Y44-I48 HydrophobicContact CG-CD1 4.36Å; Y44-I48 VanDerWaalsContact O-CG1 3.31Å; Y44-I48 WeakPolarHBondContact O-CG1 3.5Å; Y44-I48 PolarHBondContact O-N 2.84Å; Y44-I48 WeakPolarHBondContact OH-CD1 3.45Å; E46-I48 VanDerWaalsContact C-N 3.33Å; E46-I48 PolarHBondContact O-N 3.31Å; I48-A51 PolarHBondContact O-N 3.06Å; I48-W52 WeakPolarHBondContact O-CB 3.34Å; I48-W52 PolarHBondContact O-N 3.06Å; I48-V59 HydrophobicContact CG2-CB 4Å; I48-V59 HydrophobicContact CG2-CG1 3.59Å; I48-V59 WeakPolarHBondContact O-CG1 3.16Å; I48-W63 HydrophobicContact CD1-CZ2 4.32Å; I48-W63 HydrophobicContact CG2-CB 4.02Å; I48-W63 HydrophobicContact CG2-CD2 4.04Å; I48-W63 HydrophobicContact CG2-CG 3.74Å; I48-F67 HydrophobicContact CG2-CE2 3.79Å; I48-F67 HydrophobicContact CG2-CZ 4.25Å
49	Y	93.2	Very high	89.5	Confident	105 Å²	105	84.3 Å²	84.3	41%	0.412	46%	0.46	S	S	.	.	H	α-helix	trans	-66.7	-41.3	178.6	-175.1	-117.6	0	0	0	112.2	L45 E46 W52 L53 F67	L45-Y49 VanDerWaalsContact O-CB 3.32Å; L45-Y49 WeakPolarHBondContact O-CB 3.42Å; L45-Y49 PolarHBondContact O-N 3.02Å; E46-Y49 PolarHBondContact O-N 3.26Å; E46-Y49 VanDerWaalsContact O-N 3.12Å; Y49-W52 HydrophobicContact CD2-CE3 4.01Å; Y49-W52 AromaticContact CE2-CE3 3.73Å; Y49-W52 HydrophobicContact CE2-CE3 3.73Å; Y49-W52 AromaticContact CE2-CZ3 3.82Å; Y49-W52 HydrophobicContact CE2-CZ3 3.82Å; Y49-W52 PolarHBondContact O-N 2.85Å; Y49-L53 HydrophobicContact CD1-CD1 3.98Å; Y49-L53 HydrophobicContact CD1-CG 4.5Å; Y49-L53 HydrophobicContact CE1-CD1 3.59Å; Y49-L53 HydrophobicContact CE1-CG 4.14Å; Y49-L53 HydrophobicContact CE2-CG 4.36Å; Y49-L53 WeakPolarHBondContact O-CG 3.39Å; Y49-L53 PolarHBondContact O-N 3.17Å; Y49-F67 AromaticContact CD2-CD1 3.43Å; Y49-F67 HydrophobicContact CD2-CD1 3.43Å; Y49-F67 VanDerWaalsContact CD2-CD1 3.43Å; Y49-F67 HydrophobicContact CD2-CD2 4.15Å; Y49-F67 AromaticContact CD2-CE1 3.47Å; Y49-F67 HydrophobicContact CD2-CE1 3.47Å; Y49-F67 VanDerWaalsContact CD2-CE1 3.47Å; Y49-F67 HydrophobicContact CD2-CE2 4.17Å; Y49-F67 AromaticContact CD2-CG 3.8Å; Y49-F67 HydrophobicContact CD2-CG 3.8Å; Y49-F67 AromaticContact CD2-CZ 3.86Å; Y49-F67 HydrophobicContact CD2-CZ 3.86Å; Y49-F67 AromaticContact CE2-CD1 3.9Å; Y49-F67 HydrophobicContact CE2-CD1 3.9Å; Y49-F67 HydrophobicContact CE2-CE1 4.34Å; Y49-F67 HydrophobicContact CE2-CG 4.22Å; Y49-F67 HydrophobicContact CG-CD1 4.47Å; Y49-F67 HydrophobicContact CG-CE1 4.11Å; Y49-F67 HydrophobicContact CG-CZ 4.28Å
50	E	94.6	Very high	90.1	Very high	128 Å²	128	87.4 Å²	87.4	60%	0.598	45%	0.454	S	S	*	.	H	α-helix	trans	-62.2	-42.4	173.4	-74.6	-162.9	167.5	0	0	111.9	E46 W52 L53 Q54	E46-E50 PolarHBondContact O-N 2.94Å; E50-W52 PolarHBondContact O-N 3.49Å; E50-L53 PolarHBondContact O-N 3.32Å; E50-Q54 PolarHBondContact O-N 3.38Å; E50-Q54 VanDerWaalsContact O-N 3.13Å
51	A	94	Very high	90.6	Very high	34 Å²	34	88.3 Å²	88.3	28%	0.281	45%	0.447	S	S	.	.	H	α-helix	trans	-59.7	-46.3	174.5	0	0	0	0	0	111.2	D47 I48 L53 Q54 N55 S58 V59	D47-A51 WeakPolarHBondContact O-CB 3.32Å; D47-A51 PolarHBondContact O-N 3.32Å; I48-A51 PolarHBondContact O-N 3.06Å; A51-L53 PolarHBondContact O-N 2.97Å; A51-Q54 PolarHBondContact O-N 3.3Å; A51-N55 PolarHBondContact O-N 2.97Å; A51-S58 VanDerWaalsContact C-OG 3.31Å; A51-S58 PolarHBondContact O-OG 3.11Å; A51-V59 HydrophobicContact CB-CG1 3.91Å
52	W	96.2	Very high	90.8	Very high	27 Å²	27	89.1 Å²	89.1	10%	0.102	45%	0.453	C	S	.	.	H	α-helix	trans	-63.1	-37.3	177.4	179.6	82.1	0	0	0	113	I48 Y49 E50 Q54 N55 P56 V59 D64 F67 K68 A71	I48-W52 WeakPolarHBondContact O-CB 3.34Å; I48-W52 PolarHBondContact O-N 3.06Å; Y49-W52 HydrophobicContact CD2-CE3 4.01Å; Y49-W52 AromaticContact CE2-CE3 3.73Å; Y49-W52 HydrophobicContact CE2-CE3 3.73Å; Y49-W52 AromaticContact CE2-CZ3 3.82Å; Y49-W52 HydrophobicContact CE2-CZ3 3.82Å; Y49-W52 PolarHBondContact O-N 2.85Å; E50-W52 PolarHBondContact O-N 3.49Å; W52-Q54 VanDerWaalsContact C-N 3.34Å; W52-Q54 PolarHBondContact O-N 3.27Å; W52-N55 CarbonylContact O-C 3.57Å; W52-N55 VanDerWaalsContact O-C 3.3Å; W52-N55 PolarHBondContact O-N 3.41Å; W52-P56 WeakPolarHBondContact O-CD 3.19Å; W52-V59 HydrophobicContact CB-CG1 4.01Å; W52-V59 HydrophobicContact CB-CG2 3.95Å; W52-V59 HydrophobicContact CG-CG2 4.15Å; W52-D64 PolarHBondContact NE1-OD1 3.33Å; W52-F67 HydrophobicContact CB-CD2 3.73Å; W52-F67 HydrophobicContact CB-CE2 4.09Å; W52-F67 HydrophobicContact CD2-CB 3.5Å; W52-F67 VanDerWaalsContact CD2-CB 3.5Å; W52-F67 AromaticContact CD2-CD2 3.82Å; W52-F67 HydrophobicContact CD2-CD2 3.82Å; W52-F67 AromaticContact CD2-CG 4Å; W52-F67 HydrophobicContact CD2-CG 4Å; W52-F67 HydrophobicContact CE3-CB 3.66Å; W52-F67 HydrophobicContact CE3-CD2 4.26Å; W52-F67 HydrophobicContact CE3-CG 4.12Å; W52-F67 HydrophobicContact CG-CB 4.12Å; W52-F67 AromaticContact CG-CD2 3.56Å; W52-F67 HydrophobicContact CG-CD2 3.56Å; W52-F67 HydrophobicContact CG-CE2 4.39Å; W52-F67 HydrophobicContact CG-CG 4.23Å; W52-F67 HydrophobicContact CH2-CB 3.86Å; W52-F67 HydrophobicContact CZ2-CB 3.71Å; W52-F67 HydrophobicContact CZ3-CB 3.84Å; W52-K68 HydrophobicContact CZ2-CG 3.95Å; W52-A71 HydrophobicContact CH2-CB 4.32Å
53	L	94.8	Very high	91.3	Very high	105 Å²	105	88.3 Å²	88.3	55%	0.55	44%	0.441	S	S	.	.	H	α-helix	trans	-65	-34.9	175.2	-78.4	174.6	0	0	0	112.7	Y49 E50 A51	Y49-L53 HydrophobicContact CD1-CD1 3.98Å; Y49-L53 HydrophobicContact CD1-CG 4.5Å; Y49-L53 HydrophobicContact CE1-CD1 3.59Å; Y49-L53 HydrophobicContact CE1-CG 4.14Å; Y49-L53 HydrophobicContact CE2-CG 4.36Å; Y49-L53 WeakPolarHBondContact O-CG 3.39Å; Y49-L53 PolarHBondContact O-N 3.17Å; E50-L53 PolarHBondContact O-N 3.32Å; A51-L53 PolarHBondContact O-N 2.97Å
54	Q	93.7	Very high	91.6	Very high	178 Å²	178	83.8 Å²	83.8	83%	0.832	42%	0.417	S	S	*	.	H	α-helix	trans	-75.6	-43.2	175	-68.5	-159.5	14.4	0	0	112.3	E50 A51 W52	E50-Q54 PolarHBondContact O-N 3.38Å; E50-Q54 VanDerWaalsContact O-N 3.13Å; A51-Q54 PolarHBondContact O-N 3.3Å; W52-Q54 VanDerWaalsContact C-N 3.34Å; W52-Q54 PolarHBondContact O-N 3.27Å
55	N	91.8	Very high	91.7	Very high	76 Å²	76	80.5 Å²	80.5	41%	0.406	41%	0.408	S	S	.	.			trans	-154.4	112.1	177.2	-178.2	3.8	0	0	0	110.4	A51 W52 D57 S58	A51-N55 PolarHBondContact O-N 2.97Å; W52-N55 CarbonylContact O-C 3.57Å; W52-N55 VanDerWaalsContact O-C 3.3Å; W52-N55 PolarHBondContact O-N 3.41Å; N55-D57 PolarHBondContact O-N 2.81Å; N55-D57 PolarHBondContact OD1-N 3.14Å; N55-D57 VanDerWaalsContact OD1-N 3.08Å; N55-S58 WeakPolarHBondContact O-CB 3.43Å; N55-S58 PolarHBondContact O-N 2.85Å; N55-S58 PolarHBondContact O-OG 3.46Å
56	P	90.9	Very high	91.8	Very high	50 Å²	50	79.9 Å²	79.9	33%	0.325	40%	0.404	S	S	.	.	G	3₁₀ helix	trans	-56	-26.3	178.3	-29	36.5	0	0	0	114.8	W52 S58 V59	W52-P56 WeakPolarHBondContact O-CD 3.19Å; P56-S58 VanDerWaalsContact C-N 3.3Å; P56-S58 PolarHBondContact O-N 3.1Å; P56-V59 WeakPolarHBondContact O-CG2 3.44Å
57	D	92.4	Very high	91.9	Very high	141 Å²	141	74.2 Å²	74.2	75%	0.754	38%	0.378	S	S	*	.	G	3₁₀ helix	trans	-79.7	-6.9	178.3	-65.2	-31.3	0	0	0	113.4	N55 V59	N55-D57 PolarHBondContact O-N 2.81Å; N55-D57 PolarHBondContact OD1-N 3.14Å; N55-D57 VanDerWaalsContact OD1-N 3.08Å; D57-V59 VanDerWaalsContact C-N 3.31Å
58	S	92.7	Very high	91.9	Very high	69 Å²	69	74 Å²	74	48%	0.483	37%	0.372	S	S	.	.	G	3₁₀ helix	trans	-81.9	-8.5	178.9	75.8	0	0	0	0	113.8	A51 N55 P56	A51-S58 VanDerWaalsContact C-OG 3.31Å; A51-S58 PolarHBondContact O-OG 3.11Å; N55-S58 WeakPolarHBondContact O-CB 3.43Å; N55-S58 PolarHBondContact O-N 2.85Å; N55-S58 PolarHBondContact O-OG 3.46Å; P56-S58 VanDerWaalsContact C-N 3.3Å; P56-S58 PolarHBondContact O-N 3.1Å
59	V	91.1	Very high	91.6	Very high	21 Å²	21	74.6 Å²	74.6	13%	0.127	38%	0.377	C	S	.	.	S	Bend	trans	-114.1	158.8	178.2	-57.8	0	0	0	0	110.3	I48 A51 W52 P56 D57 W63 D64	I48-V59 HydrophobicContact CG2-CB 4Å; I48-V59 HydrophobicContact CG2-CG1 3.59Å; I48-V59 WeakPolarHBondContact O-CG1 3.16Å; A51-V59 HydrophobicContact CB-CG1 3.91Å; W52-V59 HydrophobicContact CB-CG1 4.01Å; W52-V59 HydrophobicContact CB-CG2 3.95Å; W52-V59 HydrophobicContact CG-CG2 4.15Å; P56-V59 WeakPolarHBondContact O-CG2 3.44Å; D57-V59 VanDerWaalsContact C-N 3.31Å; V59-W63 HydrophobicContact CB-CB 4.04Å; V59-W63 HydrophobicContact CG2-CB 3.82Å; V59-D64 HydrophobicContact CG2-CB 4.43Å
60	H	89.9	Confident	91.4	Very high	137 Å²	137	73.4 Å²	73.4	63%	0.634	38%	0.378	S	S	*	.			trans	-58.6	144.3	176.3	-172.7	-100.4	0	0	0	110.7	S62 W63 D64	H60-S62 PolarHBondContact ND1-N 3.22Å; H60-S62 PolarHBondContact ND1-OG 2.83Å; H60-S62 PolarHBondContact O-N 3.41Å; H60-W63 WeakPolarHBondContact O-CA 3.35Å; H60-W63 WeakPolarHBondContact O-CB 3.49Å; H60-W63 PolarHBondContact O-N 2.8Å; H60-D64 PolarHBondContact O-N 3.15Å
61	K	87.5	Confident	91	Very high	154 Å²	154	71.1 Å²	71.1	67%	0.67	38%	0.38	S	S	*	.	H	α-helix	trans	-55.8	-26.7	-173.7	-165.7	160.4	-174.6	167.8	0	114.3	D64 I65	K61-D64 PolarHBondContact O-N 2.96Å; K61-I65 HydrophobicContact CG-CD1 4.34Å; K61-I65 VanDerWaalsContact O-CG1 3.28Å; K61-I65 WeakPolarHBondContact O-CG1 3.34Å; K61-I65 PolarHBondContact O-N 3.31Å
62	S	88.6	Confident	90.6	Very high	49 Å²	49	74.2 Å²	74.2	34%	0.343	40%	0.4	S	S	.	.	H	α-helix	trans	-64.1	-38	172.3	58.5	0	0	0	0	112.9	H60 Y66	H60-S62 PolarHBondContact ND1-N 3.22Å; H60-S62 PolarHBondContact ND1-OG 2.83Å; H60-S62 PolarHBondContact O-N 3.41Å; S62-Y66 VanDerWaalsContact O-CB 3.3Å; S62-Y66 WeakPolarHBondContact O-CB 3.39Å; S62-Y66 PolarHBondContact O-N 3.4Å
63	W	91.6	Very high	90	Very high	39 Å²	39	76.1 Å²	76.1	15%	0.148	43%	0.428	C	S	.	.	H	α-helix	trans	-73.2	-38.2	175.4	-71.4	119	0	0	0	111.8	F36 Y44 L45 I48 V59 H60 I65 Y66 F67	F36-W63 AromaticContact CD2-CH2 3.73Å; F36-W63 HydrophobicContact CD2-CH2 3.73Å; F36-W63 HydrophobicContact CD2-CZ3 4.2Å; F36-W63 AromaticContact CE2-CH2 3.77Å; F36-W63 HydrophobicContact CE2-CH2 3.77Å; F36-W63 AromaticContact CE2-CZ3 3.78Å; F36-W63 HydrophobicContact CE2-CZ3 3.78Å; F36-W63 HydrophobicContact CG-CH2 4.16Å; F36-W63 HydrophobicContact CZ-CH2 4.24Å; F36-W63 HydrophobicContact CZ-CZ3 4.19Å; Y44-W63 HydrophobicContact CE1-CZ2 4.45Å; L45-W63 HydrophobicContact CD2-CH2 3.63Å; L45-W63 HydrophobicContact CD2-CZ3 3.59Å; L45-W63 HydrophobicContact CG-CH2 4.45Å; I48-W63 HydrophobicContact CD1-CZ2 4.32Å; I48-W63 HydrophobicContact CG2-CB 4.02Å; I48-W63 HydrophobicContact CG2-CD2 4.04Å; I48-W63 HydrophobicContact CG2-CG 3.74Å; V59-W63 HydrophobicContact CB-CB 4.04Å; V59-W63 HydrophobicContact CG2-CB 3.82Å; H60-W63 WeakPolarHBondContact O-CA 3.35Å; H60-W63 WeakPolarHBondContact O-CB 3.49Å; H60-W63 PolarHBondContact O-N 2.8Å; W63-I65 VanDerWaalsContact C-N 3.34Å; W63-I65 PolarHBondContact O-N 2.92Å; W63-Y66 AromaticContact CE3-CD1 3.72Å; W63-Y66 HydrophobicContact CE3-CD1 3.72Å; W63-Y66 HydrophobicContact CE3-CE1 4.43Å; W63-Y66 HydrophobicContact CE3-CG 4.2Å; W63-Y66 AromaticContact CZ3-CD1 3.73Å; W63-Y66 HydrophobicContact CZ3-CD1 3.73Å; W63-Y66 HydrophobicContact CZ3-CE1 4Å; W63-Y66 HydrophobicContact CZ3-CG 4.31Å; W63-Y66 PolarHBondContact O-N 2.88Å; W63-F67 HydrophobicContact CB-CD2 4.26Å; W63-F67 HydrophobicContact CB-CE2 4.02Å; W63-F67 HydrophobicContact CE3-CE1 4.49Å; W63-F67 HydrophobicContact CE3-CE2 4.06Å; W63-F67 AromaticContact CE3-CZ 3.89Å; W63-F67 HydrophobicContact CE3-CZ 3.89Å; W63-F67 HydrophobicContact CZ3-CZ 4.39Å; W63-F67 WeakPolarHBondContact O-CB 3.45Å; W63-F67 WeakPolarHBondContact O-CD2 3.14Å; W63-F67 WeakPolarHBondContact O-CG 3.34Å; W63-F67 PolarHBondContact O-N 3.23Å
64	D	92	Very high	89.3	Confident	16 Å²	16	72.5 Å²	72.5	9%	0.086	41%	0.413	C	S	.	.	H	α-helix	trans	-59.7	-45.2	172.7	175.6	46.8	0	0	0	111.7	W52 V59 H60 K61 K68	W52-D64 PolarHBondContact NE1-OD1 3.33Å; V59-D64 HydrophobicContact CG2-CB 4.43Å; H60-D64 PolarHBondContact O-N 3.15Å; K61-D64 PolarHBondContact O-N 2.96Å; D64-K68 VanDerWaalsContact O-CB 3.3Å; D64-K68 WeakPolarHBondContact O-CB 3.19Å; D64-K68 VanDerWaalsContact O-CG 3.28Å; D64-K68 WeakPolarHBondContact O-CG 3.3Å; D64-K68 PolarHBondContact O-N 2.75Å; D64-K68 WeakPolarHBondContact OD1-CE 3.37Å; D64-K68 IonicContact OD1-NZ 2.97Å; D64-K68 PolarHBondContact OD1-NZ 3.12Å; D64-K68 IonicContact OD2-NZ 2.72Å; D64-K68 PolarHBondContact OD2-NZ 2.95Å
65	I	88.4	Confident	88.5	Confident	78 Å²	78	66.5 Å²	66.5	40%	0.4	39%	0.394	S	S	.	.	H	α-helix	trans	-62.8	-46.3	174.9	-66.5	165.8	0	0	0	110.6	K61 W63 K68 C69	K61-I65 HydrophobicContact CG-CD1 4.34Å; K61-I65 VanDerWaalsContact O-CG1 3.28Å; K61-I65 WeakPolarHBondContact O-CG1 3.34Å; K61-I65 PolarHBondContact O-N 3.31Å; W63-I65 VanDerWaalsContact C-N 3.34Å; W63-I65 PolarHBondContact O-N 2.92Å; I65-K68 PolarHBondContact O-N 3.14Å; I65-C69 WeakPolarHBondContact O-CB 3.26Å; I65-C69 PolarHBondContact O-N 2.82Å; I65-C69 PolarHBondContact O-SG 3.26Å
66	Y	89.8	Confident	87.6	Confident	10 Å²	10	67 Å²	67	4%	0.039	40%	0.402	C	S	.	.	H	α-helix	trans	-57	-51.3	178.8	179.4	-105	0	0	0	112.3	E34 F36 S62 W63 C69 L70 A79	E34-Y66 HydrophobicContact CG-CE2 4.14Å; E34-Y66 WeakPolarHBondContact OE1-CE2 3.41Å; F36-Y66 HydrophobicContact CE2-CE1 4.07Å; F36-Y66 HydrophobicContact CE2-CE2 4.07Å; F36-Y66 AromaticContact CE2-CZ 3.69Å; F36-Y66 HydrophobicContact CZ-CD2 4.15Å; F36-Y66 HydrophobicContact CZ-CE1 4.36Å; F36-Y66 AromaticContact CZ-CE2 3.64Å; F36-Y66 HydrophobicContact CZ-CE2 3.64Å; F36-Y66 AromaticContact CZ-CZ 3.77Å; S62-Y66 VanDerWaalsContact O-CB 3.3Å; S62-Y66 WeakPolarHBondContact O-CB 3.39Å; S62-Y66 PolarHBondContact O-N 3.4Å; W63-Y66 AromaticContact CE3-CD1 3.72Å; W63-Y66 HydrophobicContact CE3-CD1 3.72Å; W63-Y66 HydrophobicContact CE3-CE1 4.43Å; W63-Y66 HydrophobicContact CE3-CG 4.2Å; W63-Y66 AromaticContact CZ3-CD1 3.73Å; W63-Y66 HydrophobicContact CZ3-CD1 3.73Å; W63-Y66 HydrophobicContact CZ3-CE1 4Å; W63-Y66 HydrophobicContact CZ3-CG 4.31Å; W63-Y66 PolarHBondContact O-N 2.88Å; Y66-C69 WeakPolarHBondContact O-CB 3.31Å; Y66-C69 PolarHBondContact O-N 3.22Å; Y66-L70 HydrophobicContact CD1-CD1 3.84Å; Y66-L70 HydrophobicContact CE1-CD1 3.24Å; Y66-L70 HydrophobicContact CE2-CD1 4.13Å; Y66-L70 HydrophobicContact CG-CD1 4.5Å; Y66-L70 PolarHBondContact O-N 2.97Å; Y66-A79 VanDerWaalsContact CD2-C 3.41Å; Y66-A79 HydrophobicContact CD2-CB 3.69Å; Y66-A79 WeakPolarHBondContact CD2-O 3.35Å; Y66-A79 HydrophobicContact CE2-CB 3.49Å; Y66-A79 VanDerWaalsContact CE2-CB 3.49Å
67	F	92.7	Very high	86.8	Confident	9 Å²	9	64.8 Å²	64.8	4%	0.039	39%	0.387	C	S	.	.	H	α-helix	trans	-72.1	-31.1	-178.7	-65	-48.5	0	0	0	113.1	I48 Y49 W52 W63 L70 A71	I48-F67 HydrophobicContact CG2-CE2 3.79Å; I48-F67 HydrophobicContact CG2-CZ 4.25Å; Y49-F67 AromaticContact CD2-CD1 3.43Å; Y49-F67 HydrophobicContact CD2-CD1 3.43Å; Y49-F67 VanDerWaalsContact CD2-CD1 3.43Å; Y49-F67 HydrophobicContact CD2-CD2 4.15Å; Y49-F67 AromaticContact CD2-CE1 3.47Å; Y49-F67 HydrophobicContact CD2-CE1 3.47Å; Y49-F67 VanDerWaalsContact CD2-CE1 3.47Å; Y49-F67 HydrophobicContact CD2-CE2 4.17Å; Y49-F67 AromaticContact CD2-CG 3.8Å; Y49-F67 HydrophobicContact CD2-CG 3.8Å; Y49-F67 AromaticContact CD2-CZ 3.86Å; Y49-F67 HydrophobicContact CD2-CZ 3.86Å; Y49-F67 AromaticContact CE2-CD1 3.9Å; Y49-F67 HydrophobicContact CE2-CD1 3.9Å; Y49-F67 HydrophobicContact CE2-CE1 4.34Å; Y49-F67 HydrophobicContact CE2-CG 4.22Å; Y49-F67 HydrophobicContact CG-CD1 4.47Å; Y49-F67 HydrophobicContact CG-CE1 4.11Å; Y49-F67 HydrophobicContact CG-CZ 4.28Å; W52-F67 HydrophobicContact CB-CD2 3.73Å; W52-F67 HydrophobicContact CB-CE2 4.09Å; W52-F67 HydrophobicContact CD2-CB 3.5Å; W52-F67 VanDerWaalsContact CD2-CB 3.5Å; W52-F67 AromaticContact CD2-CD2 3.82Å; W52-F67 HydrophobicContact CD2-CD2 3.82Å; W52-F67 AromaticContact CD2-CG 4Å; W52-F67 HydrophobicContact CD2-CG 4Å; W52-F67 HydrophobicContact CE3-CB 3.66Å; W52-F67 HydrophobicContact CE3-CD2 4.26Å; W52-F67 HydrophobicContact CE3-CG 4.12Å; W52-F67 HydrophobicContact CG-CB 4.12Å; W52-F67 AromaticContact CG-CD2 3.56Å; W52-F67 HydrophobicContact CG-CD2 3.56Å; W52-F67 HydrophobicContact CG-CE2 4.39Å; W52-F67 HydrophobicContact CG-CG 4.23Å; W52-F67 HydrophobicContact CH2-CB 3.86Å; W52-F67 HydrophobicContact CZ2-CB 3.71Å; W52-F67 HydrophobicContact CZ3-CB 3.84Å; W63-F67 HydrophobicContact CB-CD2 4.26Å; W63-F67 HydrophobicContact CB-CE2 4.02Å; W63-F67 HydrophobicContact CE3-CE1 4.49Å; W63-F67 HydrophobicContact CE3-CE2 4.06Å; W63-F67 AromaticContact CE3-CZ 3.89Å; W63-F67 HydrophobicContact CE3-CZ 3.89Å; W63-F67 HydrophobicContact CZ3-CZ 4.39Å; W63-F67 WeakPolarHBondContact O-CB 3.45Å; W63-F67 WeakPolarHBondContact O-CD2 3.14Å; W63-F67 WeakPolarHBondContact O-CG 3.34Å; W63-F67 PolarHBondContact O-N 3.23Å; F67-L70 HydrophobicContact CD1-CD1 4.31Å; F67-L70 PolarHBondContact O-N 3.07Å; F67-A71 VanDerWaalsContact O-CB 3.3Å; F67-A71 WeakPolarHBondContact O-CB 3.35Å; F67-A71 PolarHBondContact O-N 3.45Å
68	K	90.4	Very high	86.2	Confident	108 Å²	108	63.4 Å²	63.4	47%	0.47	38%	0.38	S	S	.	.	H	α-helix	trans	-62.8	-44.2	168.6	-79.2	175.1	176.4	151.8	0	111.7	W52 D64 I65 L70 A71 S72	W52-K68 HydrophobicContact CZ2-CG 3.95Å; D64-K68 VanDerWaalsContact O-CB 3.3Å; D64-K68 WeakPolarHBondContact O-CB 3.19Å; D64-K68 VanDerWaalsContact O-CG 3.28Å; D64-K68 WeakPolarHBondContact O-CG 3.3Å; D64-K68 PolarHBondContact O-N 2.75Å; D64-K68 WeakPolarHBondContact OD1-CE 3.37Å; D64-K68 IonicContact OD1-NZ 2.97Å; D64-K68 PolarHBondContact OD1-NZ 3.12Å; D64-K68 IonicContact OD2-NZ 2.72Å; D64-K68 PolarHBondContact OD2-NZ 2.95Å; I65-K68 PolarHBondContact O-N 3.14Å; K68-L70 PolarHBondContact O-N 3Å; K68-A71 PolarHBondContact O-N 3.24Å; K68-S72 WeakPolarHBondContact O-CB 3.47Å; K68-S72 PolarHBondContact O-N 3.12Å; K68-S72 PolarHBondContact O-OG 3.32Å
69	C	88.1	Confident	85.5	Confident	33 Å²	33	60.2 Å²	60.2	22%	0.223	36%	0.358	C	S	.	.	H	α-helix	trans	-60.1	-46.1	175.8	-73.7	0	0	0	0	111.3	I65 Y66 S72 G73 A74 A79	I65-C69 WeakPolarHBondContact O-CB 3.26Å; I65-C69 PolarHBondContact O-N 2.82Å; I65-C69 PolarHBondContact O-SG 3.26Å; Y66-C69 WeakPolarHBondContact O-CB 3.31Å; Y66-C69 PolarHBondContact O-N 3.22Å; C69-S72 VanDerWaalsContact CA-OG 3.32Å; C69-S72 WeakPolarHBondContact CA-OG 3.28Å; C69-S72 PolarHBondContact O-N 2.59Å; C69-S72 PolarHBondContact O-OG 3.45Å; C69-G73 PolarHBondContact O-N 3.07Å; C69-A74 HydrophobicContact CB-CB 4.12Å; C69-A74 WeakPolarHBondContact O-CB 3.11Å; C69-A74 PolarHBondContact O-N 2.94Å; C69-A79 HydrophobicContact CB-CB 3.93Å
70	L	88.2	Confident	84.9	Confident	80 Å²	80	62.6 Å²	62.6	42%	0.419	37%	0.365	S	S	.	.	H	α-helix	trans	-58.5	-47.9	173.7	-102.4	150.2	0	0	0	112.5	Y66 F67 K68 S72 G73 A79	Y66-L70 HydrophobicContact CD1-CD1 3.84Å; Y66-L70 HydrophobicContact CE1-CD1 3.24Å; Y66-L70 HydrophobicContact CE2-CD1 4.13Å; Y66-L70 HydrophobicContact CG-CD1 4.5Å; Y66-L70 PolarHBondContact O-N 2.97Å; F67-L70 HydrophobicContact CD1-CD1 4.31Å; F67-L70 PolarHBondContact O-N 3.07Å; K68-L70 PolarHBondContact O-N 3Å; L70-S72 PolarHBondContact O-N 3.39Å; L70-G73 PolarHBondContact O-N 2.52Å; L70-A79 HydrophobicContact CD1-CB 4.11Å; L70-A79 HydrophobicContact CG-CB 3.89Å
71	A	86	Confident	84	Confident	79 Å²	79	61 Å²	61	65%	0.653	36%	0.364	S	S	*	.	H	α-helix	trans	-64.5	-27.9	178.4	0	0	0	0	0	113	W52 F67 K68 G73	W52-A71 HydrophobicContact CH2-CB 4.32Å; F67-A71 VanDerWaalsContact O-CB 3.3Å; F67-A71 WeakPolarHBondContact O-CB 3.35Å; F67-A71 PolarHBondContact O-N 3.45Å; K68-A71 PolarHBondContact O-N 3.24Å; A71-G73 VanDerWaalsContact C-N 3.26Å; A71-G73 PolarHBondContact O-N 3.35Å
72	S	86	Confident	83	Confident	100 Å²	100	60 Å²	60	70%	0.699	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.5	3.4	172.9	58.3	0	0	0	0	114.6	K68 C69 L70	K68-S72 WeakPolarHBondContact O-CB 3.47Å; K68-S72 PolarHBondContact O-N 3.12Å; K68-S72 PolarHBondContact O-OG 3.32Å; C69-S72 VanDerWaalsContact CA-OG 3.32Å; C69-S72 WeakPolarHBondContact CA-OG 3.28Å; C69-S72 PolarHBondContact O-N 2.59Å; C69-S72 PolarHBondContact O-OG 3.45Å; L70-S72 PolarHBondContact O-N 3.39Å
73	G	83.7	Confident	81.6	Confident	66 Å²	66	61.8 Å²	61.8	68%	0.68	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	89.6	22.4	175.2	0	0	0	0	0	114.9	C69 L70 A71 A75	C69-G73 PolarHBondContact O-N 3.07Å; L70-G73 PolarHBondContact O-N 2.52Å; A71-G73 VanDerWaalsContact C-N 3.26Å; A71-G73 PolarHBondContact O-N 3.35Å; G73-A75 PolarHBondContact O-N 2.8Å
74	A	79.6	Confident	79.7	Confident	29 Å²	29	65.4 Å²	65.4	24%	0.24	40%	0.401	C	S	.	.	P	Polyproline II helix	trans	-59.7	130.4	173	0	0	0	0	0	110.7	C69 N78 A79	C69-A74 HydrophobicContact CB-CB 4.12Å; C69-A74 WeakPolarHBondContact O-CB 3.11Å; C69-A74 PolarHBondContact O-N 2.94Å; A74-N78 HydrophobicContact CB-CB 4.44Å; A74-A79 HydrophobicContact CB-CB 4.11Å
75	A	77.8	Confident	77.7	Confident	52 Å²	52	71.5 Å²	71.5	43%	0.43	44%	0.439	S	S	.	.	P	Polyproline II helix	trans	-63.6	152.1	174.2	0	0	0	0	0	111	G73 G77 N78	G73-A75 PolarHBondContact O-N 2.8Å; A75-G77 PolarHBondContact O-N 2.77Å; A75-N78 WeakPolarHBondContact O-CB 3.34Å; A75-N78 PolarHBondContact O-N 3.45Å
76	P	72	Confident	75.5	Confident	88 Å²	88	76.1 Å²	76.1	57%	0.571	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.8	129.7	176	-25.2	33.2	0	0	0	111.5	P30 T31	P30-P76 WeakPolarHBondContact CB-O 3.37Å; T31-P76 HydrophobicContact CG2-CB 4.32Å
77	G	75.5	Confident	72.9	Confident	2 Å²	2	78.6 Å²	78.6	2%	0.021	49%	0.492	C	S	.	.	T	Hydrogen-bonded Turn	trans	94.2	-14.3	-174	0	0	0	0	0	116.3	P30 N33 E34 A75	P30-G77 WeakPolarHBondContact O-CA 3.4Å; N33-G77 WeakPolarHBondContact CB-O 3.38Å; N33-G77 PolarHBondContact ND2-O 3.43Å; E34-G77 VanDerWaalsContact CD-CA 3.45Å; E34-G77 WeakPolarHBondContact OE1-CA 3.46Å; E34-G77 PolarHBondContact OE1-N 3.3Å; E34-G77 PolarHBondContact OE2-N 3.43Å; A75-G77 PolarHBondContact O-N 2.77Å
78	N	78.3	Confident	70.1	Confident	113 Å²	113	88.1 Å²	88.1	60%	0.604	53%	0.534	S	S	*	.	S	Bend	trans	-104.7	-6.9	179.8	-67.7	-22.3	0	0	0	113.4	A74 A75	A74-N78 HydrophobicContact CB-CB 4.44Å; A75-N78 WeakPolarHBondContact O-CB 3.34Å; A75-N78 PolarHBondContact O-N 3.45Å
79	A	78.6	Confident	67.5	Low	2 Å²	2	91.1 Å²	91.1	2%	0.017	55%	0.549	C	S	.	.	S	Bend	trans	-82	-29.4	-177.5	0	0	0	0	0	111.9	E34 Y66 C69 L70 A74	E34-A79 PolarHBondContact OE1-N 3.29Å; E34-A79 VanDerWaalsContact OE1-N 3.11Å; Y66-A79 VanDerWaalsContact CD2-C 3.41Å; Y66-A79 HydrophobicContact CD2-CB 3.69Å; Y66-A79 WeakPolarHBondContact CD2-O 3.35Å; Y66-A79 HydrophobicContact CE2-CB 3.49Å; Y66-A79 VanDerWaalsContact CE2-CB 3.49Å; C69-A79 HydrophobicContact CB-CB 3.93Å; L70-A79 HydrophobicContact CD1-CB 4.11Å; L70-A79 HydrophobicContact CG-CB 3.89Å; A74-A79 HydrophobicContact CB-CB 4.11Å
80	Y	79.3	Confident	64.9	Low	71 Å²	71	93.3 Å²	93.3	28%	0.278	58%	0.577	S	S	.	*			trans	-85.7	123.2	175.9	-179.8	-107.5	0	0	0	112.4	N33 E34 F36 Q82	N33-Y80 WeakPolarHBondContact O-CD1 3.18Å; E34-Y80 PolarHBondContact OE1-N 3.23Å; F36-Y80 AromaticContact CE1-CD2 3.87Å; F36-Y80 HydrophobicContact CE1-CD2 3.87Å; F36-Y80 HydrophobicContact CE1-CE2 4.35Å; F36-Y80 HydrophobicContact CE1-CG 4Å; F36-Y80 HydrophobicContact CZ-CD2 4.28Å; F36-Y80 HydrophobicContact CZ-CG 4.39Å; Y80-Q82 HydrophobicContact CD1-CG 4.21Å; Y80-Q82 HydrophobicContact CE1-CB 4.31Å; Y80-Q82 HydrophobicContact CE1-CG 3.4Å
81	V	69.5	Low	62.4	Low	102 Å²	102	96.9 Å²	96.9	62%	0.618	60%	0.596	S	S	*	*			trans	-107.2	115.5	171	-177.7	0	0	0	0	107.7
82	Q	66.6	Low	59.8	Low	133 Å²	133	102.5 Å²	102.5	62%	0.621	61%	0.606	S	S	*	*	P	Polyproline II helix	trans	-58.6	135.4	174.1	-82	-173	9.3	0	0	110	Y80	Y80-Q82 HydrophobicContact CD1-CG 4.21Å; Y80-Q82 HydrophobicContact CE1-CB 4.31Å; Y80-Q82 HydrophobicContact CE1-CG 3.4Å
83	P	58.9	Low	57.3	Low	87 Å²	87	106.2 Å²	106.2	57%	0.565	62%	0.617	S	S	*	*	P	Polyproline II helix	trans	-58.1	145.4	171.3	-11.8	22.1	0	0	0	109.8	T85	P83-T85 PolarHBondContact O-N 3.28Å
84	P	52.8	Low	55	Low	115 Å²	115	107.3 Å²	107.3	75%	0.747	62%	0.619	S	S	*	*	P	Polyproline II helix	trans	-55.5	125.4	170.7	-17.4	27.9	0	0	0	109.4	L86	P84-L86 VanDerWaalsContact C-N 3.31Å; P84-L86 PolarHBondContact O-N 3.14Å
85	T	48.9	Very low	53	Low	144 Å²	144	114.6 Å²	114.6	88%	0.883	65%	0.649	S	S	*	*			trans	-68.7	88.6	173.6	23.1	0	0	0	0	109.8	P83 G87	P83-T85 PolarHBondContact O-N 3.28Å; T85-G87 PolarHBondContact O-N 2.99Å; T85-G87 VanDerWaalsContact O-N 3.16Å
86	L	43.9	Very low	51.2	Low	175 Å²	175	120.7 Å²	120.7	92%	0.916	67%	0.673	S	S	*	*			trans	-71.7	95.5	165.7	-88.5	150.5	0	0	0	108.5	P84	P84-L86 VanDerWaalsContact C-N 3.31Å; P84-L86 PolarHBondContact O-N 3.14Å
87	G	34.5	Very low	49.6	Very low	62 Å²	62	120.6 Å²	120.6	64%	0.639	68%	0.68	S	S	*	*			trans	-175	28.8	-173.9	0	0	0	0	0	117.5	T85	T85-G87 PolarHBondContact O-N 2.99Å; T85-G87 VanDerWaalsContact O-N 3.16Å
88	K	33.5	Very low	47.9	Very low	209 Å²	209	126 Å²	126	91%	0.909	72%	0.715	S	S	*	*	S	Bend	trans	-131.4	101.3	135.5	-87.6	-168.8	178.8	179.4	0	105.9	G90	K88-G90 PolarHBondContact O-N 3.04Å
89	E	36.4	Very low	46	Very low	171 Å²	171	129.2 Å²	129.2	80%	0.799	73%	0.726	S	S	*	*			trans	-53.7	126.1	-171.8	-65.2	177.5	140.9	0	0	111.7	L91	E89-L91 PolarHBondContact O-N 3.28Å
90	G	32.7	Very low	44.2	Very low	79 Å²	79	137 Å²	137	81%	0.814	77%	0.765	S	S	*	*			trans	-68.4	104.7	156.8	0	0	0	0	0	109	K88	K88-G90 PolarHBondContact O-N 3.04Å
91	L	36.3	Very low	42.2	Very low	155 Å²	155	140.9 Å²	140.9	81%	0.812	80%	0.797	S	S	*	*			trans	-88.9	123.9	162.5	-98.1	149	0	0	0	109.2	E89	E89-L91 PolarHBondContact O-N 3.28Å
92	K	31.8	Very low	40.7	Very low	198 Å²	198	138.6 Å²	138.6	86%	0.861	79%	0.794	S	S	*	*			trans	-51.2	129.1	-174.8	-62.7	166	177.7	174.9	0	113.3
93	L	32.4	Very low	39.2	Very low	177 Å²	177	144 Å²	144	93%	0.927	81%	0.808	S	S	*	*			trans	-144.8	82.1	155.3	-107.4	131.6	0	0	0	108.7
94	A	36.4	Very low	38.5	Very low	89 Å²	89	144.2 Å²	144.2	74%	0.736	82%	0.817	S	S	*	*			trans	-105	136.9	157.4	0	0	0	0	0	106.9
95	Q	37.9	Very low	38.5	Very low	183 Å²	183	144.8 Å²	144.8	86%	0.855	82%	0.819	S	S	*	*	S	Bend	trans	80.6	83.8	173.2	-53.3	177.8	-19.3	0	0	115.7
96	L	38.5	Very low	38.9	Very low	179 Å²	179	144 Å²	144	94%	0.937	81%	0.813	S	S	*	*				-175.3	89.4	127.1	-92.6	158.3	0	0	0	108
97	A	38.1	Very low	39.9	Very low	87 Å²	87	139 Å²	139	72%	0.719	79%	0.791	S	S	*	*			trans	-88.8	178.1	160.3	0	0	0	0	0	108.4
98	P	41.4	Very low	42.1	Very low	116 Å²	116	139 Å²	139	75%	0.753	78%	0.781	S	S	*	*			cis	-138.7	-174.5	-6	26	-1.2	0	0	0	113.6
99	Q	38.5	Very low	44.5	Very low	179 Å²	179	135.5 Å²	135.5	84%	0.836	77%	0.772	S	S	*	*			trans	113	68.2	157	-61	-168.3	-19.5	0	0	116.6
100	I	39.8	Very low	46.8	Very low	165 Å²	165	133.4 Å²	133.4	85%	0.846	76%	0.76	S	S	*	*			trans	-137.8	107.9	138.6	-56.7	-178.5	0	0	0	107.7	G102	I100-G102 VanDerWaalsContact C-N 3.34Å; I100-G102 PolarHBondContact O-N 3.31Å
101	T	37.5	Very low	49.3	Very low	154 Å²	154	132.2 Å²	132.2	95%	0.945	74%	0.737	S	S	*	*			trans	-72.6	88.3	167.6	46.4	0	0	0	0	108.9
102	G	38.4	Very low	51.7	Low	53 Å²	53	128.5 Å²	128.5	55%	0.546	72%	0.718	S	S	.	*			trans	-136.3	123.8	162.6	0	0	0	0	0	107.4	I100 A104	I100-G102 VanDerWaalsContact C-N 3.34Å; I100-G102 PolarHBondContact O-N 3.31Å; G102-A104 VanDerWaalsContact C-N 3.31Å; G102-A104 PolarHBondContact O-N 3.15Å
103	R	34.1	Very low	54.5	Low	247 Å²	247	124.6 Å²	124.6	93%	0.932	70%	0.702	S	S	*	*			trans	-58.9	94.3	174	-84.9	176.4	168.3	170.5	-4.4	108.7	V105	R103-V105 PolarHBondContact O-N 3.11Å; R103-V105 VanDerWaalsContact O-N 3.1Å
104	A	45.6	Very low	57.3	Low	91 Å²	91	117 Å²	117	75%	0.752	66%	0.663	S	S	*	*			trans	-69.5	102.5	161.3	0	0	0	0	0	106.4	G102 V106	G102-A104 VanDerWaalsContact C-N 3.31Å; G102-A104 PolarHBondContact O-N 3.15Å; A104-V106 PolarHBondContact O-N 3.4Å
105	V	51.1	Low	59.9	Low	128 Å²	128	116 Å²	116	78%	0.776	64%	0.643	S	S	*	*			trans	-62.7	108.5	171.7	178.3	0	0	0	0	106.4	R103 P107	R103-V105 PolarHBondContact O-N 3.11Å; R103-V105 VanDerWaalsContact O-N 3.1Å; V105-P107 WeakPolarHBondContact O-CD 3.24Å
106	V	57.4	Low	62.5	Low	127 Å²	127	112.2 Å²	112.2	77%	0.77	63%	0.628	S	S	*	*	P	Polyproline II helix	trans	-60.2	120.7	168.3	-179.7	0	0	0	0	106.2	A104 S108	A104-V106 PolarHBondContact O-N 3.4Å; V106-S108 PolarHBondContact O-N 3.45Å
107	P	65.8	Low	65.1	Low	69 Å²	69	104.8 Å²	104.8	45%	0.448	59%	0.591	S	S	.	*	P	Polyproline II helix	trans	-56.7	135	179.2	20.4	-29.6	0	0	0	108.9	V105 T111 I112	V105-P107 WeakPolarHBondContact O-CD 3.24Å; P107-T111 HydrophobicContact CB-CG2 4.24Å; P107-I112 HydrophobicContact CB-CG1 4.2Å; P107-I112 HydrophobicContact CG-CD1 4.3Å; P107-I112 HydrophobicContact CG-CG1 4.19Å
108	S	80.2	Confident	67.7	Low	62 Å²	62	100.8 Å²	100.8	43%	0.434	56%	0.557	S	S	.	*	P	Polyproline II helix	trans	-59.9	151.5	179	74.8	0	0	0	0	109.9	V106 K110 T111 I112	V106-S108 PolarHBondContact O-N 3.45Å; S108-K110 PolarHBondContact O-N 3.21Å; S108-K110 VanDerWaalsContact O-N 3.17Å; S108-T111 WeakPolarHBondContact O-CA 3.35Å; S108-T111 WeakPolarHBondContact O-CB 3.39Å; S108-T111 PolarHBondContact O-N 3.43Å; S108-T111 PolarHBondContact OG-N 3.46Å; S108-T111 PolarHBondContact OG-OG1 2.72Å; S108-I112 PolarHBondContact O-N 3.12Å
109	L	83.4	Confident	70.2	Confident	137 Å²	137	99.7 Å²	99.7	72%	0.717	54%	0.542	S	S	*	.	H	α-helix	trans	-50.2	-41.9	174	-75.5	169.4	0	0	0	110.9	T111 I112 E113	L109-T111 PolarHBondContact O-N 2.88Å; L109-I112 PolarHBondContact O-N 2.95Å; L109-I112 VanDerWaalsContact O-N 3.14Å; L109-E113 WeakPolarHBondContact O-CB 3.21Å; L109-E113 WeakPolarHBondContact O-CG 3.49Å; L109-E113 PolarHBondContact O-N 2.99Å
110	K	84.9	Confident	72.9	Confident	126 Å²	126	92.7 Å²	92.7	55%	0.548	52%	0.515	S	S	.	.	H	α-helix	trans	-59	-41.4	173.8	-174.2	171.6	-176.3	174.8	0	113	S108 I112 E113 D114	S108-K110 PolarHBondContact O-N 3.21Å; S108-K110 VanDerWaalsContact O-N 3.17Å; K110-I112 VanDerWaalsContact C-N 3.32Å; K110-I112 PolarHBondContact O-N 3.39Å; K110-E113 PolarHBondContact O-N 2.96Å; K110-D114 WeakPolarHBondContact O-CB 3.49Å; K110-D114 PolarHBondContact O-N 2.97Å
111	T	84.9	Confident	75.5	Confident	54 Å²	54	84.9 Å²	84.9	33%	0.331	48%	0.475	S	S	.	.	H	α-helix	trans	-64.5	-37.7	176.6	-52.6	0	0	0	0	111.8	P107 S108 L109 H115	P107-T111 HydrophobicContact CB-CG2 4.24Å; S108-T111 WeakPolarHBondContact O-CA 3.35Å; S108-T111 WeakPolarHBondContact O-CB 3.39Å; S108-T111 PolarHBondContact O-N 3.43Å; S108-T111 PolarHBondContact OG-N 3.46Å; S108-T111 PolarHBondContact OG-OG1 2.72Å; L109-T111 PolarHBondContact O-N 2.88Å; T111-H115 PolarHBondContact O-N 2.8Å; T111-H115 VanDerWaalsContact O-N 3.1Å; T111-H115 PolarHBondContact O-ND1 3.05Å
112	I	88	Confident	78.2	Confident	78 Å²	78	77.6 Å²	77.6	40%	0.4	43%	0.43	S	S	.	.	H	α-helix	trans	-69	-46.2	176.6	-61.4	172	0	0	0	110	P107 S108 L109 K110 H115 L116	P107-I112 HydrophobicContact CB-CG1 4.2Å; P107-I112 HydrophobicContact CG-CD1 4.3Å; P107-I112 HydrophobicContact CG-CG1 4.19Å; S108-I112 PolarHBondContact O-N 3.12Å; L109-I112 PolarHBondContact O-N 2.95Å; L109-I112 VanDerWaalsContact O-N 3.14Å; K110-I112 VanDerWaalsContact C-N 3.32Å; K110-I112 PolarHBondContact O-N 3.39Å; I112-H115 PolarHBondContact O-N 3.43Å; I112-L116 HydrophobicContact CG2-CD1 4.17Å; I112-L116 HydrophobicContact CG2-CG 4.5Å; I112-L116 WeakPolarHBondContact O-CG 3.21Å; I112-L116 PolarHBondContact O-N 2.85Å
113	E	89.8	Confident	80.9	Confident	115 Å²	115	83.2 Å²	83.2	54%	0.537	44%	0.435	S	S	.	.	H	α-helix	trans	-57.7	-48.8	174.5	-73.1	169.7	179.4	0	0	111.4	L109 K110 H115 L116 S117	L109-E113 WeakPolarHBondContact O-CB 3.21Å; L109-E113 WeakPolarHBondContact O-CG 3.49Å; L109-E113 PolarHBondContact O-N 2.99Å; K110-E113 PolarHBondContact O-N 2.96Å; E113-H115 VanDerWaalsContact C-N 3.3Å; E113-H115 PolarHBondContact O-N 3.25Å; E113-L116 PolarHBondContact O-N 3.46Å; E113-L116 VanDerWaalsContact O-N 3.15Å; E113-S117 WeakPolarHBondContact O-CB 3.07Å; E113-S117 PolarHBondContact O-N 3.1Å; E113-S117 PolarHBondContact O-OG 3.21Å
114	D	90.9	Very high	83.8	Confident	19 Å²	19	72.3 Å²	72.3	10%	0.102	40%	0.396	C	S	.	.	H	α-helix	trans	-58	-41.9	177	-67.7	-5.5	0	0	0	110.5	K110 S117 V118 L160 K167 F169	K110-D114 WeakPolarHBondContact O-CB 3.49Å; K110-D114 PolarHBondContact O-N 2.97Å; D114-S117 WeakPolarHBondContact O-CB 3.28Å; D114-S117 PolarHBondContact O-N 3.19Å; D114-V118 WeakPolarHBondContact O-CG2 3.27Å; D114-V118 PolarHBondContact O-N 2.86Å; D114-L160 HydrophobicContact CB-CD2 4.41Å; D114-K167 IonicContact OD2-NZ 3.06Å; D114-K167 PolarHBondContact OD2-NZ 3.47Å; D114-F169 HydrophobicContact CB-CE1 3.7Å; D114-F169 HydrophobicContact CB-CZ 4.08Å
115	H	91.7	Very high	86.2	Confident	68 Å²	68	68.4 Å²	68.4	32%	0.315	36%	0.362	S	S	.	.	H	α-helix	trans	-66.8	-40.2	176.3	-82.4	79.2	0	0	0	113.1	T111 I112 E113 S117 V118 Q119 F169	T111-H115 PolarHBondContact O-N 2.8Å; T111-H115 VanDerWaalsContact O-N 3.1Å; T111-H115 PolarHBondContact O-ND1 3.05Å; I112-H115 PolarHBondContact O-N 3.43Å; E113-H115 VanDerWaalsContact C-N 3.3Å; E113-H115 PolarHBondContact O-N 3.25Å; H115-S117 VanDerWaalsContact C-N 3.33Å; H115-V118 PolarHBondContact O-N 3.49Å; H115-Q119 PolarHBondContact O-N 3.24Å; H115-F169 AromaticContact CD2-CD1 3.95Å; H115-F169 AromaticContact CE1-CD1 3.84Å; H115-F169 AromaticContact CG-CD1 3.97Å; H115-F169 AromaticContact ND1-CD1 3.91Å; H115-F169 AromaticContact NE2-CD1 3.89Å
116	L	92.3	Very high	88.3	Confident	102 Å²	102	62.6 Å²	62.6	53%	0.534	33%	0.327	S	S	.	.	H	α-helix	trans	-65.2	-39.7	175.3	-70.1	173.3	0	0	0	111	I112 E113 Q119 A120	I112-L116 HydrophobicContact CG2-CD1 4.17Å; I112-L116 HydrophobicContact CG2-CG 4.5Å; I112-L116 WeakPolarHBondContact O-CG 3.21Å; I112-L116 PolarHBondContact O-N 2.85Å; E113-L116 PolarHBondContact O-N 3.46Å; E113-L116 VanDerWaalsContact O-N 3.15Å; L116-Q119 PolarHBondContact O-N 2.93Å; L116-A120 WeakPolarHBondContact O-CB 3.34Å; L116-A120 PolarHBondContact O-N 3.12Å
117	S	93.2	Very high	90.1	Very high	23 Å²	23	58.8 Å²	58.8	16%	0.161	31%	0.306	C	S	.	.	H	α-helix	trans	-60.6	-47.1	172.9	-73.6	0	0	0	0	111.6	E113 D114 H115 Q119 A120 I121	E113-S117 WeakPolarHBondContact O-CB 3.07Å; E113-S117 PolarHBondContact O-N 3.1Å; E113-S117 PolarHBondContact O-OG 3.21Å; D114-S117 WeakPolarHBondContact O-CB 3.28Å; D114-S117 PolarHBondContact O-N 3.19Å; H115-S117 VanDerWaalsContact C-N 3.33Å; S117-Q119 VanDerWaalsContact C-N 3.34Å; S117-Q119 PolarHBondContact O-N 3.4Å; S117-A120 WeakPolarHBondContact O-CB 3.28Å; S117-A120 PolarHBondContact O-N 3.35Å; S117-A120 VanDerWaalsContact O-N 3.15Å; S117-I121 VanDerWaalsContact O-CG1 3.3Å; S117-I121 WeakPolarHBondContact O-CG1 3.48Å; S117-I121 PolarHBondContact O-N 2.84Å
118	V	93.2	Very high	91.4	Very high	3 Å²	3	57.2 Å²	57.2	2%	0.018	29%	0.294	C	S	.	.	H	α-helix	trans	-63	-39.7	176.4	172.3	0	0	0	0	111.9	D114 H115 A120 I121 I122 L160 F169 L186 I189	D114-V118 WeakPolarHBondContact O-CG2 3.27Å; D114-V118 PolarHBondContact O-N 2.86Å; H115-V118 PolarHBondContact O-N 3.49Å; V118-A120 VanDerWaalsContact C-N 3.33Å; V118-A120 PolarHBondContact O-N 2.97Å; V118-I121 PolarHBondContact O-N 3.33Å; V118-I122 HydrophobicContact CG1-CD1 4.14Å; V118-I122 WeakPolarHBondContact O-CG1 3.3Å; V118-I122 PolarHBondContact O-N 3.18Å; V118-L160 HydrophobicContact CG2-CD1 4.15Å; V118-F169 HydrophobicContact CB-CD1 4.16Å; V118-F169 HydrophobicContact CB-CG 4.29Å; V118-F169 HydrophobicContact CG1-CB 4.15Å; V118-F169 HydrophobicContact CG1-CG 4.23Å; V118-F169 HydrophobicContact CG2-CD1 3.67Å; V118-F169 HydrophobicContact CG2-CD2 3.92Å; V118-F169 HydrophobicContact CG2-CE1 3.69Å; V118-F169 HydrophobicContact CG2-CE2 3.95Å; V118-F169 HydrophobicContact CG2-CG 3.78Å; V118-F169 HydrophobicContact CG2-CZ 3.82Å; V118-L186 HydrophobicContact CG2-CD1 3.95Å; V118-I189 HydrophobicContact CG1-CD1 3.85Å
119	Q	93.9	Very high	92	Very high	93 Å²	93	54.3 Å²	54.3	44%	0.435	27%	0.273	S	S	.	.	H	α-helix	trans	-62.9	-39.9	173.6	-175.2	177.9	-2	0	0	112.1	H115 L116 S117 R123 P172	H115-Q119 PolarHBondContact O-N 3.24Å; L116-Q119 PolarHBondContact O-N 2.93Å; S117-Q119 VanDerWaalsContact C-N 3.34Å; S117-Q119 PolarHBondContact O-N 3.4Å; Q119-R123 WeakPolarHBondContact O-CB 3.5Å; Q119-R123 PolarHBondContact O-N 2.9Å; Q119-R123 VanDerWaalsContact O-N 3.08Å; Q119-P172 HydrophobicContact CG-CB 4.35Å; Q119-P172 HydrophobicContact CG-CG 4.33Å
120	A	94.2	Very high	92.5	Very high	33 Å²	33	48.4 Å²	48.4	27%	0.273	24%	0.242	S	C	.	.	H	α-helix	trans	-67.5	-37.7	175.9	0	0	0	0	0	112.3	L116 S117 V118 R123 S124 Y158	L116-A120 WeakPolarHBondContact O-CB 3.34Å; L116-A120 PolarHBondContact O-N 3.12Å; S117-A120 WeakPolarHBondContact O-CB 3.28Å; S117-A120 PolarHBondContact O-N 3.35Å; S117-A120 VanDerWaalsContact O-N 3.15Å; V118-A120 VanDerWaalsContact C-N 3.33Å; V118-A120 PolarHBondContact O-N 2.97Å; A120-R123 PolarHBondContact O-N 3.39Å; A120-S124 WeakPolarHBondContact O-CB 3.46Å; A120-S124 PolarHBondContact O-N 3.03Å; A120-S124 PolarHBondContact O-OG 2.89Å; A120-Y158 HydrophobicContact CB-CD1 4.25Å; A120-Y158 HydrophobicContact CB-CE1 3.54Å
121	I	94.6	Very high	92.8	Very high	1 Å²	1	45.8 Å²	45.8	1%	0.005	23%	0.228	C	C	.	.	H	α-helix	trans	-60.8	-52.9	172.9	-70.8	162.6	0	0	0	110.2	S117 V118 R123 S124 Y125 L155 Y158 L160 L193	S117-I121 VanDerWaalsContact O-CG1 3.3Å; S117-I121 WeakPolarHBondContact O-CG1 3.48Å; S117-I121 PolarHBondContact O-N 2.84Å; V118-I121 PolarHBondContact O-N 3.33Å; I121-R123 VanDerWaalsContact C-N 3.27Å; I121-R123 PolarHBondContact O-N 2.87Å; I121-S124 WeakPolarHBondContact O-CA 3.45Å; I121-S124 WeakPolarHBondContact O-CB 3.15Å; I121-S124 PolarHBondContact O-N 3.39Å; I121-Y125 HydrophobicContact CG2-CD2 3.72Å; I121-Y125 HydrophobicContact CG2-CE2 3.66Å; I121-Y125 WeakPolarHBondContact O-CD2 3.43Å; I121-Y125 PolarHBondContact O-N 2.77Å; I121-L155 HydrophobicContact CD1-CD2 3.72Å; I121-Y158 HydrophobicContact CB-CE2 4.49Å; I121-Y158 HydrophobicContact CD1-CD2 3.79Å; I121-Y158 HydrophobicContact CD1-CE2 4.32Å; I121-Y158 HydrophobicContact CD1-CG 4.18Å; I121-Y158 HydrophobicContact CG1-CD2 3.35Å; I121-Y158 HydrophobicContact CG1-CE2 3.38Å; I121-Y158 HydrophobicContact CG1-CG 3.96Å; I121-L160 HydrophobicContact CD1-CD1 3.77Å; I121-L193 HydrophobicContact CG2-CD1 4.5Å
122	I	95.2	Very high	93.1	Very high	1 Å²	1	45.9 Å²	45.9	1%	0.005	23%	0.226	C	C	.	.	H	α-helix	trans	-52.6	-48.4	177.3	-69.8	162.2	0	0	0	110.3	V118 S124 Y125 Q126 L171 P172 T175 I189 L193	V118-I122 HydrophobicContact CG1-CD1 4.14Å; V118-I122 WeakPolarHBondContact O-CG1 3.3Å; V118-I122 PolarHBondContact O-N 3.18Å; I122-S124 VanDerWaalsContact C-N 3.3Å; I122-S124 PolarHBondContact O-N 2.98Å; I122-Y125 PolarHBondContact O-N 2.85Å; I122-Q126 VanDerWaalsContact O-CG 3.31Å; I122-Q126 WeakPolarHBondContact O-CG 3.39Å; I122-Q126 PolarHBondContact O-N 3.15Å; I122-L171 HydrophobicContact CD1-CD2 4.5Å; I122-P172 HydrophobicContact CD1-CG 3.9Å; I122-T175 HydrophobicContact CD1-CG2 4.33Å; I122-T175 HydrophobicContact CG2-CG2 4.38Å; I122-I189 HydrophobicContact CD1-CG2 4.31Å; I122-I189 HydrophobicContact CG1-CG2 3.99Å; I122-L193 HydrophobicContact CB-CD1 4.41Å; I122-L193 HydrophobicContact CG1-CD1 3.9Å; I122-L193 HydrophobicContact CG2-CD2 4.31Å
123	R	94.7	Very high	93.4	Very high	171 Å²	171	42.8 Å²	42.8	65%	0.645	21%	0.212	S	C	*	.	H	α-helix	trans	-63.1	-35.7	178.4	-174.1	175	-178.2	168.6	0.7	112.7	Q119 A120 I121 Q126 S127	Q119-R123 WeakPolarHBondContact O-CB 3.5Å; Q119-R123 PolarHBondContact O-N 2.9Å; Q119-R123 VanDerWaalsContact O-N 3.08Å; A120-R123 PolarHBondContact O-N 3.39Å; I121-R123 VanDerWaalsContact C-N 3.27Å; I121-R123 PolarHBondContact O-N 2.87Å; R123-Q126 PolarHBondContact O-N 3.48Å; R123-S127 WeakPolarHBondContact O-CB 3.46Å; R123-S127 PolarHBondContact O-N 3.43Å; R123-S127 VanDerWaalsContact O-N 3.07Å
124	S	95.5	Very high	93.6	Very high	17 Å²	17	41.5 Å²	41.5	12%	0.119	21%	0.209	C	C	.	.	H	α-helix	trans	-68.6	-44	178.3	-60.2	0	0	0	0	111.2	A120 I121 I122 Q126 S127 L128 E152 Y158	A120-S124 WeakPolarHBondContact O-CB 3.46Å; A120-S124 PolarHBondContact O-N 3.03Å; A120-S124 PolarHBondContact O-OG 2.89Å; I121-S124 WeakPolarHBondContact O-CA 3.45Å; I121-S124 WeakPolarHBondContact O-CB 3.15Å; I121-S124 PolarHBondContact O-N 3.39Å; I122-S124 VanDerWaalsContact C-N 3.3Å; I122-S124 PolarHBondContact O-N 2.98Å; S124-Q126 VanDerWaalsContact C-N 3.35Å; S124-Q126 PolarHBondContact O-N 3.1Å; S124-S127 PolarHBondContact O-N 2.97Å; S124-S127 VanDerWaalsContact O-N 3.16Å; S124-L128 WeakPolarHBondContact O-CA 3.38Å; S124-L128 WeakPolarHBondContact O-CB 3.07Å; S124-L128 PolarHBondContact O-N 2.94Å; S124-E152 WeakPolarHBondContact CB-O 3.37Å; S124-E152 PolarHBondContact OG-O 2.88Å; S124-Y158 PolarHBondContact OG-OH 2.94Å
125	Y	95.3	Very high	93.7	Very high	10 Å²	10	41 Å²	41	4%	0.039	21%	0.206	C	C	.	.	H	α-helix	trans	-60.3	-43.3	172	-84.3	-88.7	0	0	0	112	I121 I122 S127 G129 L153 L193 E194	I121-Y125 HydrophobicContact CG2-CD2 3.72Å; I121-Y125 HydrophobicContact CG2-CE2 3.66Å; I121-Y125 WeakPolarHBondContact O-CD2 3.43Å; I121-Y125 PolarHBondContact O-N 2.77Å; I122-Y125 PolarHBondContact O-N 2.85Å; Y125-S127 PolarHBondContact O-N 3.27Å; Y125-G129 VanDerWaalsContact O-CA 3.27Å; Y125-G129 WeakPolarHBondContact O-CA 3.38Å; Y125-G129 PolarHBondContact O-N 2.63Å; Y125-L153 HydrophobicContact CD1-CD2 4.22Å; Y125-L153 HydrophobicContact CD2-CD2 3.99Å; Y125-L153 HydrophobicContact CE2-CD2 4.3Å; Y125-L153 HydrophobicContact CG-CD2 3.95Å; Y125-L193 HydrophobicContact CD1-CB 3.85Å; Y125-L193 HydrophobicContact CD2-CB 4.2Å; Y125-L193 HydrophobicContact CD2-CD1 3.75Å; Y125-L193 HydrophobicContact CE1-CB 4.35Å; Y125-L193 HydrophobicContact CE2-CD1 4.36Å; Y125-L193 HydrophobicContact CG-CB 3.76Å; Y125-L193 HydrophobicContact CG-CD1 4.01Å; Y125-L193 HydrophobicContact CG-CG 4.38Å; Y125-E194 HydrophobicContact CE1-CG 3.67Å; Y125-E194 PolarHBondContact OH-OE1 3.44Å
126	Q	95.9	Very high	93.9	Very high	5 Å²	5	38.4 Å²	38.4	2%	0.023	20%	0.195	C	C	.	.	H	α-helix	trans	-61.1	-29.6	176.1	-72.6	176.9	-11.9	0	0	113.6	I122 R123 S124 T174 Y197 Y205 M206 E222	I122-Q126 VanDerWaalsContact O-CG 3.31Å; I122-Q126 WeakPolarHBondContact O-CG 3.39Å; I122-Q126 PolarHBondContact O-N 3.15Å; R123-Q126 PolarHBondContact O-N 3.48Å; S124-Q126 VanDerWaalsContact C-N 3.35Å; S124-Q126 PolarHBondContact O-N 3.1Å; Q126-T174 PolarHBondContact NE2-O 3.13Å; Q126-T174 VanDerWaalsContact NE2-O 3.1Å; Q126-Y197 HydrophobicContact CG-CE2 3.88Å; Q126-Y205 WeakPolarHBondContact CG-OH 3.49Å; Q126-M206 HydrophobicContact CB-SD 4.28Å; Q126-M206 VanDerWaalsContact O-CG 3.28Å; Q126-M206 WeakPolarHBondContact O-CG 3.14Å; Q126-E222 PolarHBondContact NE2-OE1 2.94Å
127	S	94.4	Very high	94	Very high	48 Å²	48	34.3 Å²	34.3	34%	0.336	17%	0.174	S	C	.	.	H	α-helix	trans	-101.1	-25.8	-175.7	-171.8	0	0	0	0	114.7	R123 S124 Y125 H130	R123-S127 WeakPolarHBondContact O-CB 3.46Å; R123-S127 PolarHBondContact O-N 3.43Å; R123-S127 VanDerWaalsContact O-N 3.07Å; S124-S127 PolarHBondContact O-N 2.97Å; S124-S127 VanDerWaalsContact O-N 3.16Å; Y125-S127 PolarHBondContact O-N 3.27Å; S127-H130 PolarHBondContact O-CD2 3.27Å; S127-H130 PolarHBondContact O-NE2 3.46Å; S127-H130 VanDerWaalsContact O-NE2 3.12Å
128	L	93.6	Very high	94.1	Very high	36 Å²	36	33.5 Å²	33.5	19%	0.188	17%	0.168	C	C	.	.	H	α-helix	trans	-132.1	-7.9	-169.8	-59.4	173.5	0	0	0	112.4	S124 H130 R131 P150 E152 L153	S124-L128 WeakPolarHBondContact O-CA 3.38Å; S124-L128 WeakPolarHBondContact O-CB 3.07Å; S124-L128 PolarHBondContact O-N 2.94Å; L128-H130 PolarHBondContact O-N 2.87Å; L128-R131 WeakPolarHBondContact O-CB 3.37Å; L128-R131 WeakPolarHBondContact O-CG 3.43Å; L128-R131 PolarHBondContact O-N 2.97Å; L128-P150 HydrophobicContact CB-CG 4.5Å; L128-P150 HydrophobicContact CD1-CB 4.12Å; L128-E152 HydrophobicContact CD1-CB 4.13Å; L128-E152 HydrophobicContact CD1-CG 4.49Å; L128-L153 HydrophobicContact CB-CD1 4.36Å; L128-L153 HydrophobicContact CB-CD2 4.37Å; L128-L153 HydrophobicContact CB-CG 4.49Å
129	G	93.4	Very high	93.9	Very high	0 Å²	0	36 Å²	36	0%	0	20%	0.195	C	C	.	.	G	3₁₀ helix	trans	-59.1	-34.1	-178.1	0	0	0	0	0	112.8	Y125 R131 I132 A133 Y197	Y125-G129 VanDerWaalsContact O-CA 3.27Å; Y125-G129 WeakPolarHBondContact O-CA 3.38Å; Y125-G129 PolarHBondContact O-N 2.63Å; G129-R131 PolarHBondContact O-N 3.39Å; G129-R131 VanDerWaalsContact O-N 3.12Å; G129-I132 WeakPolarHBondContact O-CG1 3.48Å; G129-I132 PolarHBondContact O-N 2.83Å; G129-I132 VanDerWaalsContact O-N 3.1Å; G129-A133 PolarHBondContact O-N 3.42Å; G129-Y197 CarbonylContact C-O 3.54Å
130	H	93.7	Very high	93.6	Very high	14 Å²	14	34.5 Å²	34.5	7%	0.065	19%	0.189	C	C	.	.	G	3₁₀ helix	trans	-59.3	-22.2	175.4	69.1	87.9	0	0	0	114	S127 L128 I132 Y197 E204 Y443	S127-H130 PolarHBondContact O-CD2 3.27Å; S127-H130 PolarHBondContact O-NE2 3.46Å; S127-H130 VanDerWaalsContact O-NE2 3.12Å; L128-H130 PolarHBondContact O-N 2.87Å; H130-I132 VanDerWaalsContact C-N 3.32Å; H130-Y197 PolarHBondContact N-O 2.99Å; H130-E204 HydrophobicContact CB-CG 4.4Å; H130-E204 IonicContact CE1-OE1 3.39Å; H130-E204 PolarHBondContact CE1-OE1 3.23Å; H130-E204 IonicContact ND1-OE1 3.07Å; H130-E204 IonicContact NE2-OE1 3.42Å; H130-Y443 AromaticContact CE1-CE2 3.73Å; H130-Y443 AromaticContact ND1-CE2 3.5Å; H130-Y443 AromaticContact ND1-CZ 3.47Å; H130-Y443 PolarHBondContact ND1-OH 3.39Å; H130-Y443 PolarHBondContact O-OH 2.79Å
131	R	91.2	Very high	92.9	Very high	70 Å²	70	34.6 Å²	34.6	26%	0.264	19%	0.185	S	C	.	.	G	3₁₀ helix	trans	-72.3	-27.3	178.8	-62.6	-177	67.6	-159.9	-15.6	112.7	L128 G129 D144 P150	L128-R131 WeakPolarHBondContact O-CB 3.37Å; L128-R131 WeakPolarHBondContact O-CG 3.43Å; L128-R131 PolarHBondContact O-N 2.97Å; G129-R131 PolarHBondContact O-N 3.39Å; G129-R131 VanDerWaalsContact O-N 3.12Å; R131-D144 WeakPolarHBondContact CB-OD2 3.44Å; R131-D144 IonicContact CZ-OD1 3.89Å; R131-D144 IonicContact CZ-OD2 2.7Å; R131-D144 IonicContact NE-OD1 3.58Å; R131-D144 PolarHBondContact NE-OD1 3.3Å; R131-D144 IonicContact NE-OD2 2.78Å; R131-D144 PolarHBondContact NE-OD2 2.95Å; R131-D144 VanDerWaalsContact NH2-CG 3.26Å; R131-D144 IonicContact NH2-OD1 3.58Å; R131-D144 IonicContact NH2-OD2 3.75Å; R131-D144 PolarHBondContact NH2-OD2 2.6Å; R131-P150 HydrophobicContact CB-CG 4.41Å
132	I	91.1	Very high	91.7	Very high	56 Å²	56	36.5 Å²	36.5	29%	0.287	20%	0.198	S	C	.	.	G	3₁₀ helix	trans	-112	14.9	179.2	64.3	162.9	0	0	0	112.3	G129 H130 I149 L153 C198	G129-I132 WeakPolarHBondContact O-CG1 3.48Å; G129-I132 PolarHBondContact O-N 2.83Å; G129-I132 VanDerWaalsContact O-N 3.1Å; H130-I132 VanDerWaalsContact C-N 3.32Å; I132-I149 HydrophobicContact CG2-CG1 4.39Å; I132-I149 HydrophobicContact CG2-CG2 4.32Å; I132-L153 HydrophobicContact CD1-CD1 3.55Å; I132-L153 HydrophobicContact CG1-CD1 3.81Å; I132-L153 HydrophobicContact CG2-CD1 4.3Å; I132-C198 HydrophobicContact CD1-CB 4.36Å; I132-C198 HydrophobicContact CG1-CB 4.22Å
133	A	93.2	Very high	90.3	Very high	13 Å²	13	37.6 Å²	37.6	11%	0.107	21%	0.208	C	C	.	.			trans	-70.4	141.6	178.2	0	0	0	0	0	111.7	G129 L135 C198	G129-A133 PolarHBondContact O-N 3.42Å; A133-L135 HydrophobicContact CB-CD1 4.05Å; A133-L135 HydrophobicContact CB-CD2 4.1Å; A133-L135 HydrophobicContact CB-CG 3.72Å; A133-L135 PolarHBondContact O-N 3.45Å; A133-C198 WeakPolarHBondContact CA-O 3.47Å
134	D	93.7	Very high	88.9	Confident	88 Å²	88	30.5 Å²	30.5	47%	0.471	18%	0.182	S	C	.	.			trans	-75.2	68.6	176.5	-171.2	14.9	0	0	0	111.8	C198 K199 H200 N459	D134-C198 PolarHBondContact N-O 3.01Å; D134-K199 PolarHBondContact N-O 3.11Å; D134-H200 WeakPolarHBondContact O-CA 3.47Å; D134-H200 IonicContact OD2-CD2 2.6Å; D134-H200 IonicContact OD2-NE2 3.93Å; D134-N459 PolarHBondContact O-ND2 3.26Å; D134-N459 VanDerWaalsContact O-ND2 3.15Å
135	L	94.9	Very high	87.7	Confident	8 Å²	8	32.8 Å²	32.8	4%	0.042	19%	0.193	C	C	.	.			trans	-92.3	-32.4	-173.1	-62.7	173.9	0	0	0	113.4	A133 P137 H457 N459 V489	A133-L135 HydrophobicContact CB-CD1 4.05Å; A133-L135 HydrophobicContact CB-CD2 4.1Å; A133-L135 HydrophobicContact CB-CG 3.72Å; A133-L135 PolarHBondContact O-N 3.45Å; L135-P137 VanDerWaalsContact O-CD 3.24Å; L135-P137 WeakPolarHBondContact O-CD 3.38Å; L135-H457 HydrophobicContact CD1-CB 3.6Å; L135-H457 HydrophobicContact CD2-CB 3.79Å; L135-H457 HydrophobicContact CG-CB 4.33Å; L135-N459 WeakPolarHBondContact O-CA 3.46Å; L135-N459 WeakPolarHBondContact O-CB 3.3Å; L135-N459 VanDerWaalsContact O-CG 3.31Å; L135-N459 PolarHBondContact O-ND2 2.94Å; L135-V489 HydrophobicContact CB-CB 4.38Å; L135-V489 HydrophobicContact CB-CG2 4.15Å; L135-V489 WeakPolarHBondContact O-CB 3.34Å; L135-V489 WeakPolarHBondContact O-CG1 3.26Å
136	D	94.8	Very high	86.5	Confident	15 Å²	15	36.4 Å²	36.4	8%	0.08	21%	0.213	C	C	.	.			trans	-87.6	108.7	-172.5	177	14.8	0	0	0	111.6	L138 G139 I140 L141 Q428	D136-L138 PolarHBondContact O-N 2.86Å; D136-L138 VanDerWaalsContact O-N 3.07Å; D136-L138 WeakPolarHBondContact OD1-CB 3.31Å; D136-L138 PolarHBondContact OD1-N 2.69Å; D136-G139 PolarHBondContact O-N 2.67Å; D136-G139 VanDerWaalsContact O-N 3.1Å; D136-G139 PolarHBondContact OD2-N 2.94Å; D136-I140 PolarHBondContact OD2-N 3.1Å; D136-L141 PolarHBondContact OD2-N 3.12Å; D136-Q428 PolarHBondContact OD1-NE2 3.3Å; D136-Q428 PolarHBondContact OD1-OE1 2.88Å
137	P	94.7	Very high	85.4	Confident	15 Å²	15	42.4 Å²	42.4	10%	0.097	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-17.8	177.8	25.9	-35.4	0	0	0	114.1	L135 D461 V489 Y491 Q516	L135-P137 VanDerWaalsContact O-CD 3.24Å; L135-P137 WeakPolarHBondContact O-CD 3.38Å; P137-D461 HydrophobicContact CB-CB 4.02Å; P137-V489 WeakPolarHBondContact CD-O 3.49Å; P137-Y491 HydrophobicContact CB-CD1 4.32Å; P137-Y491 HydrophobicContact CB-CE1 4.38Å; P137-Y491 HydrophobicContact CG-CD1 3.85Å; P137-Y491 HydrophobicContact CG-CE1 4.33Å; P137-Q516 PolarHBondContact O-NE2 3.02Å
138	L	94.5	Very high	84.6	Confident	6 Å²	6	42.8 Å²	42.8	3%	0.031	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.3	-18.8	179	-59.9	-177.5	0	0	0	113.1	D136 I140 Y491 M509 R512 I513 Q516	D136-L138 PolarHBondContact O-N 2.86Å; D136-L138 VanDerWaalsContact O-N 3.07Å; D136-L138 WeakPolarHBondContact OD1-CB 3.31Å; D136-L138 PolarHBondContact OD1-N 2.69Å; L138-I140 VanDerWaalsContact C-N 3.31Å; L138-I140 HydrophobicContact CB-CD1 4.05Å; L138-I140 HydrophobicContact CB-CG1 3.8Å; L138-I140 HydrophobicContact CB-CG2 4.31Å; L138-I140 HydrophobicContact CD1-CD1 3.73Å; L138-I140 HydrophobicContact CD1-CG1 4.33Å; L138-I140 PolarHBondContact O-N 3.31Å; L138-Y491 HydrophobicContact CD2-CD1 4.01Å; L138-Y491 HydrophobicContact CD2-CG 4.04Å; L138-Y491 HydrophobicContact CG-CD1 4.39Å; L138-Y491 HydrophobicContact CG-CG 4.44Å; L138-M509 HydrophobicContact CD1-CG 3.92Å; L138-R512 HydrophobicContact CD2-CB 4.41Å; L138-R512 PolarHBondContact O-NH1 2.77Å; L138-I513 HydrophobicContact CD1-CD1 4.16Å; L138-I513 HydrophobicContact CD1-CG1 3.76Å; L138-I513 HydrophobicContact CD2-CG1 3.7Å; L138-I513 HydrophobicContact CG-CG1 4.41Å; L138-Q516 HydrophobicContact CD2-CB 4.39Å; L138-Q516 HydrophobicContact CD2-CG 4.38Å
139	G	90.5	Very high	84.2	Confident	57 Å²	57	46.7 Å²	46.7	59%	0.588	27%	0.268	S	S	*	.	S	Bend	trans	56.7	40.2	-175.1	0	0	0	0	0	113.5	D136	D136-G139 PolarHBondContact O-N 2.67Å; D136-G139 VanDerWaalsContact O-N 3.1Å; D136-G139 PolarHBondContact OD2-N 2.94Å
140	I	86.5	Confident	83.9	Confident	60 Å²	60	46.9 Å²	46.9	31%	0.308	27%	0.269	S	S	.	.			trans	-117.8	-21	-179.2	60.9	174.1	0	0	0	113.7	D136 L138 M509 R512	D136-I140 PolarHBondContact OD2-N 3.1Å; L138-I140 VanDerWaalsContact C-N 3.31Å; L138-I140 HydrophobicContact CB-CD1 4.05Å; L138-I140 HydrophobicContact CB-CG1 3.8Å; L138-I140 HydrophobicContact CB-CG2 4.31Å; L138-I140 HydrophobicContact CD1-CD1 3.73Å; L138-I140 HydrophobicContact CD1-CG1 4.33Å; L138-I140 PolarHBondContact O-N 3.31Å; I140-M509 HydrophobicContact CD1-CB 3.74Å; I140-M509 HydrophobicContact CD1-CE 4.06Å; I140-M509 HydrophobicContact CD1-CG 3.71Å; I140-R512 HydrophobicContact CG2-CB 4.39Å; I140-R512 HydrophobicContact CG2-CG 3.66Å
141	L	78.7	Confident	83.7	Confident	35 Å²	35	49.6 Å²	49.6	18%	0.183	29%	0.288	C	S	.	.			trans	-121.9	131.9	178.5	-71.3	-176.6	0	0	0	110.3	D136 Q428 P435	D136-L141 PolarHBondContact OD2-N 3.12Å; L141-Q428 HydrophobicContact CD1-CB 3.99Å; L141-Q428 HydrophobicContact CD1-CG 4.33Å; L141-P435 HydrophobicContact CD1-CB 4.34Å; L141-P435 HydrophobicContact CD1-CG 3.83Å
142	S	71.4	Confident	83.7	Confident	41 Å²	41	49.5 Å²	49.5	29%	0.287	29%	0.291	S	S	.	.			trans	-82.7	144.1	162.9	-67.1	0	0	0	0	110	D144 L145 D146 D147	S142-D144 PolarHBondContact O-N 3.22Å; S142-L145 PolarHBondContact O-N 2.95Å; S142-D146 WeakPolarHBondContact CB-O 3.21Å; S142-D147 VanDerWaalsContact CB-OD1 3.24Å; S142-D147 WeakPolarHBondContact CB-OD1 3.47Å; S142-D147 PolarHBondContact OG-OD1 2.88Å
143	A	65.7	Low	83.6	Confident	24 Å²	24	47.2 Å²	47.2	20%	0.198	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.5	-36.7	-178.3	0	0	0	0	0	113.4	L145 P442 Y443	A143-L145 VanDerWaalsContact C-N 3.29Å; A143-L145 PolarHBondContact O-N 3.45Å; A143-P442 CarbonylContact O-C 3.46Å; A143-Y443 HydrophobicContact CB-CE1 3.59Å; A143-Y443 WeakPolarHBondContact CB-OH 3.3Å
144	D	65	Low	83.4	Confident	22 Å²	22	48.9 Å²	48.9	12%	0.118	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.1	-0.7	179.1	-65.9	-45.2	0	0	0	114.9	R131 S142 D146	R131-D144 WeakPolarHBondContact CB-OD2 3.44Å; R131-D144 IonicContact CZ-OD1 3.89Å; R131-D144 IonicContact CZ-OD2 2.7Å; R131-D144 IonicContact NE-OD1 3.58Å; R131-D144 PolarHBondContact NE-OD1 3.3Å; R131-D144 IonicContact NE-OD2 2.78Å; R131-D144 PolarHBondContact NE-OD2 2.95Å; R131-D144 VanDerWaalsContact NH2-CG 3.26Å; R131-D144 IonicContact NH2-OD1 3.58Å; R131-D144 IonicContact NH2-OD2 3.75Å; R131-D144 PolarHBondContact NH2-OD2 2.6Å; S142-D144 PolarHBondContact O-N 3.22Å; D144-D146 HydrophobicContact CB-CB 4.39Å; D144-D146 PolarHBondContact O-N 3.19Å
145	L	69.8	Low	83.2	Confident	66 Å²	66	46.2 Å²	46.2	35%	0.346	28%	0.275	S	S	.	.	S	Bend	trans	59.2	10.7	-165.7	-46.5	171.3	0	0	0	112.9	S142 A143 P435 R436	S142-L145 PolarHBondContact O-N 2.95Å; A143-L145 VanDerWaalsContact C-N 3.29Å; A143-L145 PolarHBondContact O-N 3.45Å; L145-P435 HydrophobicContact CD2-CB 4.19Å; L145-R436 HydrophobicContact CD1-CB 4.36Å
146	D	70.8	Confident	83	Confident	86 Å²	86	49.9 Å²	49.9	46%	0.46	30%	0.302	S	S	.	.	S	Bend	trans	-134.5	136.6	174.2	177.8	22	0	0	0	108.1	S142 D144 S148	S142-D146 WeakPolarHBondContact CB-O 3.21Å; D144-D146 HydrophobicContact CB-CB 4.39Å; D144-D146 PolarHBondContact O-N 3.19Å; D146-S148 PolarHBondContact O-N 2.86Å; D146-S148 PolarHBondContact OD1-N 2.87Å; D146-S148 WeakPolarHBondContact OD2-CB 3.44Å; D146-S148 PolarHBondContact OD2-OG 3.24Å
147	D	71.9	Confident	82.7	Confident	130 Å²	130	54.4 Å²	54.4	70%	0.695	32%	0.321	S	S	*	.			trans	-85.9	7.2	-176.6	-60.8	-26	0	0	0	112.2	S142 I149	S142-D147 VanDerWaalsContact CB-OD1 3.24Å; S142-D147 WeakPolarHBondContact CB-OD1 3.47Å; S142-D147 PolarHBondContact OG-OD1 2.88Å; D147-I149 PolarHBondContact O-N 3.1Å
148	S	78.6	Confident	82.5	Confident	56 Å²	56	55.1 Å²	55.1	39%	0.392	32%	0.322	S	S	.	.	P	Polyproline II helix	trans	-74.4	123.7	-177.9	72.3	0	0	0	0	112.3	D146 P150	D146-S148 PolarHBondContact O-N 2.86Å; D146-S148 PolarHBondContact OD1-N 2.87Å; D146-S148 WeakPolarHBondContact OD2-CB 3.44Å; D146-S148 PolarHBondContact OD2-OG 3.24Å; S148-P150 WeakPolarHBondContact O-CD 3.39Å
149	I	83.4	Confident	82.2	Confident	118 Å²	118	62.1 Å²	62.1	61%	0.605	36%	0.359	S	S	*	.	P	Polyproline II helix	trans	-72.8	126.2	171.3	-62.4	172.3	0	0	0	108.2	I132 D147	I132-I149 HydrophobicContact CG2-CG1 4.39Å; I132-I149 HydrophobicContact CG2-CG2 4.32Å; D147-I149 PolarHBondContact O-N 3.1Å
150	P	87.4	Confident	82.2	Confident	4 Å²	4	59.8 Å²	59.8	3%	0.026	33%	0.333	C	S	.	.	P	Polyproline II helix	trans	-55.9	124.8	175.4	-25	33.6	0	0	0	111	L128 R131 S148 E152 L153	L128-P150 HydrophobicContact CB-CG 4.5Å; L128-P150 HydrophobicContact CD1-CB 4.12Å; R131-P150 HydrophobicContact CB-CG 4.41Å; S148-P150 WeakPolarHBondContact O-CD 3.39Å; P150-E152 PolarHBondContact O-N 3.12Å; P150-E152 VanDerWaalsContact O-N 3.12Å; P150-L153 HydrophobicContact CB-CD1 4.3Å; P150-L153 HydrophobicContact CB-CG 4.27Å; P150-L153 HydrophobicContact CG-CD1 4.16Å; P150-L153 PolarHBondContact O-N 3.02Å
151	P	90.6	Very high	82.3	Confident	72 Å²	72	58.1 Å²	58.1	47%	0.468	33%	0.33	S	S	.	.	G	3₁₀ helix	trans	-59.3	-27.5	-177.6	23.8	-33.6	0	0	0	112.3	L153 S154 F157	P151-L153 PolarHBondContact O-N 3Å; P151-L153 VanDerWaalsContact O-N 3.14Å; P151-S154 WeakPolarHBondContact O-CB 3.28Å; P151-S154 PolarHBondContact O-N 2.82Å; P151-F157 HydrophobicContact CB-CD2 4.01Å; P151-F157 HydrophobicContact CB-CE2 4.49Å; P151-F157 WeakPolarHBondContact O-CB 3.46Å
152	E	90.6	Very high	82.7	Confident	68 Å²	68	63.1 Å²	63.1	32%	0.318	35%	0.353	S	S	.	.	G	3₁₀ helix	trans	-64.9	-10.8	176.6	-57.6	86.1	170.5	0	0	114.1	S124 L128 P150 F157 Y158	S124-E152 WeakPolarHBondContact CB-O 3.37Å; S124-E152 PolarHBondContact OG-O 2.88Å; L128-E152 HydrophobicContact CD1-CB 4.13Å; L128-E152 HydrophobicContact CD1-CG 4.49Å; P150-E152 PolarHBondContact O-N 3.12Å; P150-E152 VanDerWaalsContact O-N 3.12Å; E152-F157 HydrophobicContact CG-CE1 4.16Å; E152-F157 HydrophobicContact CG-CZ 4.32Å; E152-Y158 WeakPolarHBondContact O-CE2 3.45Å; E152-Y158 PolarHBondContact O-OH 3.41Å
153	L	89.7	Confident	83.5	Confident	8 Å²	8	66.5 Å²	66.5	4%	0.042	37%	0.374	C	S	.	.	G	3₁₀ helix	trans	-95.4	-10.3	172.1	-59.6	179	0	0	0	112.6	Y125 L128 I132 P150 P151	Y125-L153 HydrophobicContact CD1-CD2 4.22Å; Y125-L153 HydrophobicContact CD2-CD2 3.99Å; Y125-L153 HydrophobicContact CE2-CD2 4.3Å; Y125-L153 HydrophobicContact CG-CD2 3.95Å; L128-L153 HydrophobicContact CB-CD1 4.36Å; L128-L153 HydrophobicContact CB-CD2 4.37Å; L128-L153 HydrophobicContact CB-CG 4.49Å; I132-L153 HydrophobicContact CD1-CD1 3.55Å; I132-L153 HydrophobicContact CG1-CD1 3.81Å; I132-L153 HydrophobicContact CG2-CD1 4.3Å; P150-L153 HydrophobicContact CB-CD1 4.3Å; P150-L153 HydrophobicContact CB-CG 4.27Å; P150-L153 HydrophobicContact CG-CD1 4.16Å; P150-L153 PolarHBondContact O-N 3.02Å; P151-L153 PolarHBondContact O-N 3Å; P151-L153 VanDerWaalsContact O-N 3.14Å
154	S	89.2	Confident	84.7	Confident	47 Å²	47	66.1 Å²	66.1	33%	0.329	37%	0.369	S	S	.	.	S	Bend	trans	-85.1	133.4	177.3	-173.2	0	0	0	0	111.4	P151 S156 F157	P151-S154 WeakPolarHBondContact O-CB 3.28Å; P151-S154 PolarHBondContact O-N 2.82Å; S154-S156 PolarHBondContact O-N 3.19Å; S154-S156 PolarHBondContact OG-N 3.1Å; S154-S156 PolarHBondContact OG-OG 2.75Å; S154-F157 WeakPolarHBondContact O-CB 3.2Å; S154-F157 PolarHBondContact O-N 3.41Å; S154-F157 VanDerWaalsContact O-N 3.16Å
155	L	89.6	Confident	86	Confident	33 Å²	33	65.6 Å²	65.6	17%	0.173	37%	0.366	C	S	.	.	G	3₁₀ helix	trans	-58.1	-34.3	173.1	-61.8	-178.7	0	0	0	112.9	I121 F157 Y158 N159 L160 L165 L186 I190	I121-L155 HydrophobicContact CD1-CD2 3.72Å; L155-F157 PolarHBondContact O-N 3.31Å; L155-Y158 PolarHBondContact O-N 2.84Å; L155-N159 PolarHBondContact O-N 2.79Å; L155-L160 CarbonylContact C-O 3.21Å; L155-L160 HydrophobicContact CB-CB 4.26Å; L155-L160 WeakPolarHBondContact CB-O 3.37Å; L155-L160 PolarHBondContact O-N 2.96Å; L155-L160 VanDerWaalsContact O-N 3.11Å; L155-L160 VanDerWaalsContact O-O 3.11Å; L155-L165 HydrophobicContact CD1-CD2 3.67Å; L155-L186 HydrophobicContact CD2-CD1 4.46Å; L155-L186 HydrophobicContact CD2-CD2 4.46Å; L155-I190 HydrophobicContact CD1-CD1 3.66Å; L155-I190 HydrophobicContact CD2-CD1 3.61Å; L155-I190 HydrophobicContact CD2-CG1 4.29Å; L155-I190 HydrophobicContact CG-CD1 4.04Å
156	S	89.6	Confident	87.1	Confident	85 Å²	85	67.5 Å²	67.5	59%	0.594	38%	0.376	S	S	*	.	G	3₁₀ helix	trans	-61.4	-30.8	-179.5	67.1	0	0	0	0	112.8	S154 Y158 N159	S154-S156 PolarHBondContact O-N 3.19Å; S154-S156 PolarHBondContact OG-N 3.1Å; S154-S156 PolarHBondContact OG-OG 2.75Å; S156-Y158 PolarHBondContact O-N 2.88Å; S156-N159 PolarHBondContact O-N 3.07Å
157	F	89.4	Confident	88.2	Confident	110 Å²	110	66.8 Å²	66.8	48%	0.482	37%	0.369	S	S	.	.	G	3₁₀ helix	trans	-63.3	-26.4	176.2	-178.1	-98.6	0	0	0	112.4	P151 E152 S154 L155	P151-F157 HydrophobicContact CB-CD2 4.01Å; P151-F157 HydrophobicContact CB-CE2 4.49Å; P151-F157 WeakPolarHBondContact O-CB 3.46Å; E152-F157 HydrophobicContact CG-CE1 4.16Å; E152-F157 HydrophobicContact CG-CZ 4.32Å; S154-F157 WeakPolarHBondContact O-CB 3.2Å; S154-F157 PolarHBondContact O-N 3.41Å; S154-F157 VanDerWaalsContact O-N 3.16Å; L155-F157 PolarHBondContact O-N 3.31Å
158	Y	90.1	Very high	89.2	Confident	30 Å²	30	64.3 Å²	64.3	12%	0.118	36%	0.359	C	S	.	.	G	3₁₀ helix	trans	-103.6	14.2	179.3	-58.7	-81.8	0	0	0	113.8	A120 I121 S124 E152 L155 S156 L160	A120-Y158 HydrophobicContact CB-CD1 4.25Å; A120-Y158 HydrophobicContact CB-CE1 3.54Å; I121-Y158 HydrophobicContact CB-CE2 4.49Å; I121-Y158 HydrophobicContact CD1-CD2 3.79Å; I121-Y158 HydrophobicContact CD1-CE2 4.32Å; I121-Y158 HydrophobicContact CD1-CG 4.18Å; I121-Y158 HydrophobicContact CG1-CD2 3.35Å; I121-Y158 HydrophobicContact CG1-CE2 3.38Å; I121-Y158 HydrophobicContact CG1-CG 3.96Å; S124-Y158 PolarHBondContact OG-OH 2.94Å; E152-Y158 WeakPolarHBondContact O-CE2 3.45Å; E152-Y158 PolarHBondContact O-OH 3.41Å; L155-Y158 PolarHBondContact O-N 2.84Å; S156-Y158 PolarHBondContact O-N 2.88Å; Y158-L160 PolarHBondContact O-N 3.43Å
159	N	88.2	Confident	89.9	Confident	153 Å²	153	61.8 Å²	61.8	82%	0.818	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.3	27	-174.4	-55.1	-56.6	0	0	0	114.2	L155 S156	L155-N159 PolarHBondContact O-N 2.79Å; S156-N159 PolarHBondContact O-N 3.07Å
160	L	89.9	Confident	90.4	Very high	8 Å²	8	64.2 Å²	64.2	4%	0.042	34%	0.342	C	S	.	.			trans	-103.8	151.2	172.5	-63.4	174.5	0	0	0	109.8	D114 V118 I121 L155 Y158 D164 L186	D114-L160 HydrophobicContact CB-CD2 4.41Å; V118-L160 HydrophobicContact CG2-CD1 4.15Å; I121-L160 HydrophobicContact CD1-CD1 3.77Å; L155-L160 CarbonylContact C-O 3.21Å; L155-L160 HydrophobicContact CB-CB 4.26Å; L155-L160 WeakPolarHBondContact CB-O 3.37Å; L155-L160 PolarHBondContact O-N 2.96Å; L155-L160 VanDerWaalsContact O-N 3.11Å; L155-L160 VanDerWaalsContact O-O 3.11Å; Y158-L160 PolarHBondContact O-N 3.43Å; L160-D164 WeakPolarHBondContact CA-OD2 3.29Å; L160-D164 HydrophobicContact CB-CB 4.48Å; L160-D164 HydrophobicContact CD2-CB 4.01Å; L160-L186 HydrophobicContact CB-CD2 4.49Å; L160-L186 HydrophobicContact CD1-CD2 4.17Å
161	G	88.2	Confident	90.7	Very high	24 Å²	24	64.7 Å²	64.7	25%	0.247	35%	0.345	C	S	.	.			trans	-154.3	-162.7	178	0	0	0	0	0	113.8	P163 D164	G161-P163 VanDerWaalsContact C-N 3.32Å; G161-D164 PolarHBondContact N-OD2 3.15Å; G161-D164 WeakPolarHBondContact O-CB 3.39Å; G161-D164 PolarHBondContact O-N 3.11Å
162	E	87.5	Confident	90.8	Very high	140 Å²	140	62 Å²	62	65%	0.654	33%	0.327	S	S	*	.	G	3₁₀ helix	trans	-46.7	-43.7	178.3	-77.2	-66.8	148.4	0	0	114.4	D164 L165	E162-D164 PolarHBondContact O-N 3.11Å; E162-D164 VanDerWaalsContact O-N 3.13Å; E162-L165 PolarHBondContact O-N 3.28Å; E162-L165 WeakPolarHBondContact OE2-CD1 3.48Å
163	P	88.8	Confident	90.7	Very high	112 Å²	112	64.6 Å²	64.6	73%	0.727	35%	0.35	S	S	*	.	G	3₁₀ helix	trans	-64.7	-18.4	179.8	-21.3	34.4	0	0	0	114.5	G161	G161-P163 VanDerWaalsContact C-N 3.32Å
164	D	91.3	Very high	90.7	Very high	17 Å²	17	67 Å²	67	9%	0.091	37%	0.365	C	S	.	.	G	3₁₀ helix	trans	-94.6	-14.5	-175.9	-52.8	-62.4	0	0	0	112.6	L160 G161 E162 D166 K167 L186	L160-D164 WeakPolarHBondContact CA-OD2 3.29Å; L160-D164 HydrophobicContact CB-CB 4.48Å; L160-D164 HydrophobicContact CD2-CB 4.01Å; G161-D164 PolarHBondContact N-OD2 3.15Å; G161-D164 WeakPolarHBondContact O-CB 3.39Å; G161-D164 PolarHBondContact O-N 3.11Å; E162-D164 PolarHBondContact O-N 3.11Å; E162-D164 VanDerWaalsContact O-N 3.13Å; D164-D166 VanDerWaalsContact C-N 3.28Å; D164-D166 PolarHBondContact O-N 3.49Å; D164-K167 HydrophobicContact CB-CD 4.16Å; D164-K167 VanDerWaalsContact O-CB 3.31Å; D164-K167 WeakPolarHBondContact O-CB 3.26Å; D164-K167 PolarHBondContact O-N 2.89Å; D164-K167 VanDerWaalsContact O-N 3.07Å; D164-K167 WeakPolarHBondContact OD1-CE 3.37Å; D164-K167 IonicContact OD1-NZ 2.63Å; D164-K167 PolarHBondContact OD1-NZ 2.92Å; D164-L186 HydrophobicContact CB-CD2 4.01Å
165	L	92.2	Very high	90.9	Very high	11 Å²	11	65.3 Å²	65.3	6%	0.058	35%	0.352	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-36.1	-173.1	-71.3	-178.2	0	0	0	113.4	L155 E162 L186 R187 I190	L155-L165 HydrophobicContact CD1-CD2 3.67Å; E162-L165 PolarHBondContact O-N 3.28Å; E162-L165 WeakPolarHBondContact OE2-CD1 3.48Å; L165-L186 HydrophobicContact CD2-CD2 4.29Å; L165-L186 HydrophobicContact CD2-CG 4.23Å; L165-L186 PolarHBondContact O-N 3.04Å; L165-R187 HydrophobicContact CB-CB 4.24Å; L165-R187 WeakPolarHBondContact O-CB 3.37Å; L165-R187 PolarHBondContact O-N 2.86Å; L165-I190 HydrophobicContact CD2-CD1 3.85Å
166	D	93.3	Very high	91.1	Very high	105 Å²	105	66.1 Å²	66.1	56%	0.561	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.2	5.2	-177.7	-57	-50.8	0	0	0	112.7	D164 R187	D164-D166 VanDerWaalsContact C-N 3.28Å; D164-D166 PolarHBondContact O-N 3.49Å; D166-R187 IonicContact OD1-CZ 3.5Å; D166-R187 IonicContact OD1-NE 2.88Å; D166-R187 PolarHBondContact OD1-NE 2.94Å; D166-R187 IonicContact OD1-NH2 3.23Å; D166-R187 PolarHBondContact OD1-NH2 3.12Å; D166-R187 IonicContact OD2-NH2 3.07Å; D166-R187 PolarHBondContact OD2-NH2 3.23Å
167	K	92.8	Very high	91.3	Very high	72 Å²	72	62 Å²	62	31%	0.313	33%	0.327	S	S	.	.	S	Bend	trans	-73.8	140.4	168.7	-65.2	177.1	176	174.1	0	110.3	D114 D164 F169 T185 L186	D114-K167 IonicContact OD2-NZ 3.06Å; D114-K167 PolarHBondContact OD2-NZ 3.47Å; D164-K167 HydrophobicContact CB-CD 4.16Å; D164-K167 VanDerWaalsContact O-CB 3.31Å; D164-K167 WeakPolarHBondContact O-CB 3.26Å; D164-K167 PolarHBondContact O-N 2.89Å; D164-K167 VanDerWaalsContact O-N 3.07Å; D164-K167 WeakPolarHBondContact OD1-CE 3.37Å; D164-K167 IonicContact OD1-NZ 2.63Å; D164-K167 PolarHBondContact OD1-NZ 2.92Å; K167-F169 HydrophobicContact CB-CD2 4.47Å; K167-F169 HydrophobicContact CB-CE2 3.7Å; K167-F169 HydrophobicContact CB-CZ 4.11Å; K167-F169 HydrophobicContact CD-CZ 4.33Å; K167-F169 WeakPolarHBondContact O-CD2 3.42Å; K167-T185 CarbonylContact O-C 3.55Å; K167-T185 VanDerWaalsContact O-CA 3.26Å; K167-T185 WeakPolarHBondContact O-CA 3.43Å; K167-L186 PolarHBondContact O-N 3.46Å
168	T	93.5	Very high	91.4	Very high	77 Å²	77	57 Å²	57	47%	0.472	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	134.6	176.2	-55.6	0	0	0	0	111	E183 L184	T168-E183 HydrophobicContact CG2-CB 3.68Å; T168-L184 WeakPolarHBondContact CA-O 3.39Å
169	F	93.8	Very high	91.4	Very high	4 Å²	4	57.3 Å²	57.3	2%	0.018	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	140.5	177.6	-67.4	-86.2	0	0	0	110.5	D114 H115 V118 K167 E183 L184 L186 I189	D114-F169 HydrophobicContact CB-CE1 3.7Å; D114-F169 HydrophobicContact CB-CZ 4.08Å; H115-F169 AromaticContact CD2-CD1 3.95Å; H115-F169 AromaticContact CE1-CD1 3.84Å; H115-F169 AromaticContact CG-CD1 3.97Å; H115-F169 AromaticContact ND1-CD1 3.91Å; H115-F169 AromaticContact NE2-CD1 3.89Å; V118-F169 HydrophobicContact CB-CD1 4.16Å; V118-F169 HydrophobicContact CB-CG 4.29Å; V118-F169 HydrophobicContact CG1-CB 4.15Å; V118-F169 HydrophobicContact CG1-CG 4.23Å; V118-F169 HydrophobicContact CG2-CD1 3.67Å; V118-F169 HydrophobicContact CG2-CD2 3.92Å; V118-F169 HydrophobicContact CG2-CE1 3.69Å; V118-F169 HydrophobicContact CG2-CE2 3.95Å; V118-F169 HydrophobicContact CG2-CG 3.78Å; V118-F169 HydrophobicContact CG2-CZ 3.82Å; K167-F169 HydrophobicContact CB-CD2 4.47Å; K167-F169 HydrophobicContact CB-CE2 3.7Å; K167-F169 HydrophobicContact CB-CZ 4.11Å; K167-F169 HydrophobicContact CD-CZ 4.33Å; K167-F169 WeakPolarHBondContact O-CD2 3.42Å; F169-E183 VanDerWaalsContact O-CA 3.31Å; F169-E183 WeakPolarHBondContact O-CA 3.48Å; F169-L184 PolarHBondContact N-O 3.08Å; F169-L184 PolarHBondContact O-N 3.03Å; F169-L184 VanDerWaalsContact O-N 3.1Å; F169-L186 HydrophobicContact CD2-CB 3.93Å; F169-L186 HydrophobicContact CE2-CB 3.74Å; F169-L186 HydrophobicContact CE2-CD2 4.4Å; F169-I189 HydrophobicContact CB-CD1 3.95Å
170	R	93.4	Very high	91.4	Very high	169 Å²	169	57.8 Å²	57.8	64%	0.638	32%	0.321	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.8	129.3	170.2	-174.5	175.8	178.6	178.2	1.7	110	E183	R170-E183 HydrophobicContact CB-CG 4.32Å; R170-E183 HydrophobicContact CG-CG 4.49Å
171	L	93.4	Very high	91.6	Very high	14 Å²	14	62.6 Å²	62.6	7%	0.073	34%	0.341	C	S	.	.	P	Polyproline II helix	trans	-72.9	139.1	179.3	-61.9	-179	0	0	0	110.9	I122 T175 I177 G178 Q182 L184 I189	I122-L171 HydrophobicContact CD1-CD2 4.5Å; L171-T175 HydrophobicContact CB-CG2 4.14Å; L171-T175 HydrophobicContact CD2-CG2 4.47Å; L171-I177 HydrophobicContact CD1-CG1 4.02Å; L171-I177 HydrophobicContact CD2-CD1 4.02Å; L171-I177 HydrophobicContact CD2-CG1 4.19Å; L171-G178 VanDerWaalsContact CD1-CA 3.45Å; L171-Q182 PolarHBondContact N-O 3.48Å; L171-L184 HydrophobicContact CD1-CD1 3.85Å; L171-L184 HydrophobicContact CD1-CG 4Å; L171-L184 HydrophobicContact CD2-CB 4.47Å; L171-L184 HydrophobicContact CD2-CD1 4.22Å; L171-L184 HydrophobicContact CD2-CG 4.41Å; L171-L184 HydrophobicContact CG-CD1 4.49Å; L171-L184 HydrophobicContact CG-CG 4.4Å; L171-I189 HydrophobicContact CD2-CD1 3.79Å; L171-I189 HydrophobicContact CD2-CG1 3.88Å
172	P	92.1	Very high	91.7	Very high	16 Å²	16	67.3 Å²	67.3	10%	0.104	36%	0.357	C	S	.	.	P	Polyproline II helix	trans	-69.7	153.5	171.8	30.3	-33.9	0	0	0	110.2	Q119 I122 T174 T175	Q119-P172 HydrophobicContact CG-CB 4.35Å; Q119-P172 HydrophobicContact CG-CG 4.33Å; I122-P172 HydrophobicContact CD1-CG 3.9Å; P172-T174 PolarHBondContact O-N 2.93Å; P172-T175 HydrophobicContact CG-CG2 3.97Å; P172-T175 WeakPolarHBondContact O-CG2 2.91Å; P172-T175 PolarHBondContact O-N 3.21Å
173	P	87.9	Confident	92.1	Very high	122 Å²	122	66 Å²	66	79%	0.792	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.8	-4.5	176.2	29.2	-36.5	0	0	0	113.5	T175	P173-T175 VanDerWaalsContact C-N 3.3Å
174	T	90.2	Very high	92.4	Very high	58 Å²	58	60.9 Å²	60.9	36%	0.356	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.7	14.8	178.9	58.1	0	0	0	0	113	Q126 P172 R218	Q126-T174 PolarHBondContact NE2-O 3.13Å; Q126-T174 VanDerWaalsContact NE2-O 3.1Å; P172-T174 PolarHBondContact O-N 2.93Å; T174-R218 VanDerWaalsContact O-CD 3.25Å; T174-R218 WeakPolarHBondContact O-CD 3.33Å; T174-R218 PolarHBondContact O-NE 3.49Å
175	T	93.1	Very high	92.6	Very high	11 Å²	11	61.9 Å²	61.9	7%	0.067	32%	0.324	C	S	.	.			trans	-142.1	147.5	173.1	-172.1	0	0	0	0	111.5	I122 L171 P172 P173 I177 E222	I122-T175 HydrophobicContact CD1-CG2 4.33Å; I122-T175 HydrophobicContact CG2-CG2 4.38Å; L171-T175 HydrophobicContact CB-CG2 4.14Å; L171-T175 HydrophobicContact CD2-CG2 4.47Å; P172-T175 HydrophobicContact CG-CG2 3.97Å; P172-T175 WeakPolarHBondContact O-CG2 2.91Å; P172-T175 PolarHBondContact O-N 3.21Å; P173-T175 VanDerWaalsContact C-N 3.3Å; T175-I177 HydrophobicContact CG2-CD1 4.42Å; T175-I177 HydrophobicContact CG2-CG1 4Å; T175-I177 WeakPolarHBondContact OG1-CG1 3.44Å; T175-I177 WeakPolarHBondContact OG1-CG2 3.4Å; T175-I177 PolarHBondContact OG1-N 2.89Å; T175-E222 WeakPolarHBondContact CA-OE2 3.36Å; T175-E222 WeakPolarHBondContact CB-OE2 3.34Å; T175-E222 VanDerWaalsContact OG1-CD 3.3Å; T175-E222 PolarHBondContact OG1-OE1 3.03Å; T175-E222 PolarHBondContact OG1-OE2 3.19Å
176	H	94.5	Very high	92.8	Very high	50 Å²	50	61.3 Å²	61.3	23%	0.231	32%	0.321	C	S	.	.			trans	-112	9.4	176.7	-62.6	-80.8	0	0	0	112.1	G178 G179 D215 R219 E222	H176-G178 PolarHBondContact O-N 2.91Å; H176-G179 PolarHBondContact O-N 2.9Å; H176-D215 IonicContact CD2-OD1 3.49Å; H176-D215 IonicContact CE1-OD1 3.54Å; H176-D215 IonicContact NE2-OD1 3.5Å; H176-D215 PolarHBondContact NE2-OD1 3.4Å; H176-R219 VanDerWaalsContact CD2-CG 3.49Å; H176-R219 WeakPolarHBondContact CD2-CG 3.34Å; H176-R219 WeakPolarHBondContact NE2-CG 3.45Å; H176-E222 HydrophobicContact CB-CB 4.12Å; H176-E222 PolarHBondContact N-OE2 2.94Å
177	I	94.5	Very high	92.9	Very high	0 Å²	0	61.5 Å²	61.5	0%	0	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-24.1	178	63.6	177.2	0	0	0	112.7	L171 T175 G179 L184 I189 R192 L193 E222	L171-I177 HydrophobicContact CD1-CG1 4.02Å; L171-I177 HydrophobicContact CD2-CD1 4.02Å; L171-I177 HydrophobicContact CD2-CG1 4.19Å; T175-I177 HydrophobicContact CG2-CD1 4.42Å; T175-I177 HydrophobicContact CG2-CG1 4Å; T175-I177 WeakPolarHBondContact OG1-CG1 3.44Å; T175-I177 WeakPolarHBondContact OG1-CG2 3.4Å; T175-I177 PolarHBondContact OG1-N 2.89Å; I177-G179 VanDerWaalsContact C-N 3.34Å; I177-L184 HydrophobicContact CD1-CD1 4.44Å; I177-L184 HydrophobicContact CG1-CD1 4.28Å; I177-I189 HydrophobicContact CD1-CB 4.37Å; I177-I189 HydrophobicContact CD1-CG1 4.35Å; I177-I189 HydrophobicContact CD1-CG2 3.9Å; I177-R192 HydrophobicContact CB-CB 4.2Å; I177-R192 HydrophobicContact CG2-CB 4.47Å; I177-R192 WeakPolarHBondContact O-CD 3.25Å; I177-R192 PolarHBondContact O-NH1 3.44Å; I177-L193 HydrophobicContact CD1-CD2 4.29Å; I177-L193 HydrophobicContact CD1-CG 4.24Å; I177-L193 HydrophobicContact CG2-CD2 4.01Å; I177-E222 WeakPolarHBondContact CA-O 3.42Å; I177-E222 HydrophobicContact CG2-CB 3.8Å; I177-E222 HydrophobicContact CG2-CG 3.96Å
178	G	91.1	Very high	93	Very high	5 Å²	5	60.6 Å²	60.6	5%	0.052	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73	-22.6	177.6	0	0	0	0	0	114.4	L171 H176 D180 K181	L171-G178 VanDerWaalsContact CD1-CA 3.45Å; H176-G178 PolarHBondContact O-N 2.91Å; G178-D180 PolarHBondContact O-N 3.31Å; G178-K181 WeakPolarHBondContact CA-O 3.31Å; G178-K181 WeakPolarHBondContact O-CB 3.36Å; G178-K181 PolarHBondContact O-N 3.03Å
179	G	90	Very high	93.1	Very high	35 Å²	35	57 Å²	57	36%	0.361	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.1	-117.9	-159.3	0	0	0	0	0	109.3	H176 I177 K181	H176-G179 PolarHBondContact O-N 2.9Å; I177-G179 VanDerWaalsContact C-N 3.34Å; G179-K181 VanDerWaalsContact C-N 3.35Å
180	D	88.8	Confident	93.1	Very high	164 Å²	164	57.6 Å²	57.6	88%	0.877	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.8	-16.3	176.9	-56.9	-42.2	0	0	0	113.7	G178	G178-D180 PolarHBondContact O-N 3.31Å
181	K	92.3	Very high	93.2	Very high	108 Å²	108	55.6 Å²	55.6	47%	0.47	29%	0.288	S	S	.	.			trans	-77.4	131.4	-179.9	-63.5	-178	178.9	-176.7	0	110.8	G178 G179 L184 E188	G178-K181 WeakPolarHBondContact CA-O 3.31Å; G178-K181 WeakPolarHBondContact O-CB 3.36Å; G178-K181 PolarHBondContact O-N 3.03Å; G179-K181 VanDerWaalsContact C-N 3.35Å; K181-L184 HydrophobicContact CB-CD2 4.08Å; K181-L184 HydrophobicContact CD-CD2 3.54Å; K181-L184 HydrophobicContact CG-CD2 4.5Å; K181-E188 IonicContact NZ-OE1 3.07Å; K181-E188 PolarHBondContact NZ-OE1 2.97Å; K181-E188 IonicContact NZ-OE2 3.6Å
182	Q	91.5	Very high	93.2	Very high	123 Å²	123	57.2 Å²	57.2	58%	0.575	29%	0.293	S	S	*	.	S	Bend	trans	-90.4	-14.4	176.4	-62.6	-63.3	-49.6	0	0	113.4	L171	L171-Q182 PolarHBondContact N-O 3.48Å
183	E	94.7	Very high	93.4	Very high	114 Å²	114	56.5 Å²	56.5	53%	0.533	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	142.1	-177.3	-55.7	-172.6	162.1	0	0	110.1	T168 F169 R170	T168-E183 HydrophobicContact CG2-CB 3.68Å; F169-E183 VanDerWaalsContact O-CA 3.31Å; F169-E183 WeakPolarHBondContact O-CA 3.48Å; R170-E183 HydrophobicContact CB-CG 4.32Å; R170-E183 HydrophobicContact CG-CG 4.49Å
184	L	95.2	Very high	93.6	Very high	3 Å²	3	54.5 Å²	54.5	2%	0.016	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	157.6	178.6	-64.1	-179.6	0	0	0	109.7	T168 F169 L171 I177 K181 E188 I189	T168-L184 WeakPolarHBondContact CA-O 3.39Å; F169-L184 PolarHBondContact N-O 3.08Å; F169-L184 PolarHBondContact O-N 3.03Å; F169-L184 VanDerWaalsContact O-N 3.1Å; L171-L184 HydrophobicContact CD1-CD1 3.85Å; L171-L184 HydrophobicContact CD1-CG 4Å; L171-L184 HydrophobicContact CD2-CB 4.47Å; L171-L184 HydrophobicContact CD2-CD1 4.22Å; L171-L184 HydrophobicContact CD2-CG 4.41Å; L171-L184 HydrophobicContact CG-CD1 4.49Å; L171-L184 HydrophobicContact CG-CG 4.4Å; I177-L184 HydrophobicContact CD1-CD1 4.44Å; I177-L184 HydrophobicContact CG1-CD1 4.28Å; K181-L184 HydrophobicContact CB-CD2 4.08Å; K181-L184 HydrophobicContact CD-CD2 3.54Å; K181-L184 HydrophobicContact CG-CD2 4.5Å; L184-E188 HydrophobicContact CB-CB 4.38Å; L184-E188 HydrophobicContact CD1-CG 4.39Å; L184-E188 HydrophobicContact CD2-CG 4.17Å; L184-E188 WeakPolarHBondContact CD2-OE2 3.4Å; L184-I189 HydrophobicContact CB-CD1 4.22Å; L184-I189 HydrophobicContact CB-CG1 3.66Å; L184-I189 HydrophobicContact CD1-CG1 4.17Å
185	T	96.3	Very high	93.8	Very high	38 Å²	38	54.1 Å²	54.1	23%	0.233	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71	151.8	168.5	63	0	0	0	0	110.4	K167 R187 E188 I189	K167-T185 CarbonylContact O-C 3.55Å; K167-T185 VanDerWaalsContact O-CA 3.26Å; K167-T185 WeakPolarHBondContact O-CA 3.43Å; T185-R187 PolarHBondContact O-N 3.28Å; T185-E188 PolarHBondContact O-N 2.79Å; T185-E188 WeakPolarHBondContact OG1-CB 3.41Å; T185-E188 PolarHBondContact OG1-N 3.48Å; T185-I189 WeakPolarHBondContact O-CG1 3.46Å; T185-I189 PolarHBondContact O-N 3.01Å
186	L	95.4	Very high	93.8	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-54.8	-38.6	176.1	176.2	59.6	0	0	0	111.9	V118 L155 L160 D164 L165 K167 F169 E188 I189 I190	V118-L186 HydrophobicContact CG2-CD1 3.95Å; L155-L186 HydrophobicContact CD2-CD1 4.46Å; L155-L186 HydrophobicContact CD2-CD2 4.46Å; L160-L186 HydrophobicContact CB-CD2 4.49Å; L160-L186 HydrophobicContact CD1-CD2 4.17Å; D164-L186 HydrophobicContact CB-CD2 4.01Å; L165-L186 HydrophobicContact CD2-CD2 4.29Å; L165-L186 HydrophobicContact CD2-CG 4.23Å; L165-L186 PolarHBondContact O-N 3.04Å; K167-L186 PolarHBondContact O-N 3.46Å; F169-L186 HydrophobicContact CD2-CB 3.93Å; F169-L186 HydrophobicContact CE2-CB 3.74Å; F169-L186 HydrophobicContact CE2-CD2 4.4Å; L186-E188 VanDerWaalsContact C-N 3.35Å; L186-E188 PolarHBondContact O-N 3.06Å; L186-I189 PolarHBondContact O-N 3.39Å; L186-I190 HydrophobicContact CD1-CD1 3.9Å; L186-I190 HydrophobicContact CD1-CG1 4.02Å; L186-I190 HydrophobicContact CG-CD1 3.83Å; L186-I190 HydrophobicContact CG-CG1 4.43Å; L186-I190 WeakPolarHBondContact O-CD1 3.39Å; L186-I190 VanDerWaalsContact O-CG1 3.28Å; L186-I190 WeakPolarHBondContact O-CG1 3.11Å; L186-I190 PolarHBondContact O-N 3.49Å
187	R	96.2	Very high	93.8	Very high	108 Å²	108	52.2 Å²	52.2	41%	0.408	26%	0.256	S	S	.	.	H	α-helix	trans	-56.9	-45.8	173.1	-170.4	-176.9	-57.7	-76.5	1.3	112.4	L165 D166 T185 K191	L165-R187 HydrophobicContact CB-CB 4.24Å; L165-R187 WeakPolarHBondContact O-CB 3.37Å; L165-R187 PolarHBondContact O-N 2.86Å; D166-R187 IonicContact OD1-CZ 3.5Å; D166-R187 IonicContact OD1-NE 2.88Å; D166-R187 PolarHBondContact OD1-NE 2.94Å; D166-R187 IonicContact OD1-NH2 3.23Å; D166-R187 PolarHBondContact OD1-NH2 3.12Å; D166-R187 IonicContact OD2-NH2 3.07Å; D166-R187 PolarHBondContact OD2-NH2 3.23Å; T185-R187 PolarHBondContact O-N 3.28Å; R187-K191 WeakPolarHBondContact O-CB 3.39Å; R187-K191 PolarHBondContact O-N 2.92Å; R187-K191 VanDerWaalsContact O-N 3.12Å
188	E	95.2	Very high	93.7	Very high	54 Å²	54	53 Å²	53	25%	0.252	26%	0.261	S	S	.	.	H	α-helix	trans	-71.3	-36.5	178.9	-170.7	171.6	-170.3	0	0	111.5	K181 L184 T185 L186 R192	K181-E188 IonicContact NZ-OE1 3.07Å; K181-E188 PolarHBondContact NZ-OE1 2.97Å; K181-E188 IonicContact NZ-OE2 3.6Å; L184-E188 HydrophobicContact CB-CB 4.38Å; L184-E188 HydrophobicContact CD1-CG 4.39Å; L184-E188 HydrophobicContact CD2-CG 4.17Å; L184-E188 WeakPolarHBondContact CD2-OE2 3.4Å; T185-E188 PolarHBondContact O-N 2.79Å; T185-E188 WeakPolarHBondContact OG1-CB 3.41Å; T185-E188 PolarHBondContact OG1-N 3.48Å; L186-E188 VanDerWaalsContact C-N 3.35Å; L186-E188 PolarHBondContact O-N 3.06Å; E188-R192 WeakPolarHBondContact O-CB 3.21Å; E188-R192 VanDerWaalsContact O-CG 3.26Å; E188-R192 WeakPolarHBondContact O-CG 3.44Å; E188-R192 PolarHBondContact O-N 2.92Å; E188-R192 IonicContact OE1-CZ 3.65Å; E188-R192 IonicContact OE1-NE 3.28Å; E188-R192 PolarHBondContact OE1-NE 3.42Å; E188-R192 IonicContact OE1-NH2 2.87Å; E188-R192 PolarHBondContact OE1-NH2 3.35Å
189	I	95.6	Very high	93.8	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-59.7	-55.2	174.7	-68.3	171.4	0	0	0	110.4	V118 I122 F169 L171 I177 L184 T185 L186 K191 R192 L193	V118-I189 HydrophobicContact CG1-CD1 3.85Å; I122-I189 HydrophobicContact CD1-CG2 4.31Å; I122-I189 HydrophobicContact CG1-CG2 3.99Å; F169-I189 HydrophobicContact CB-CD1 3.95Å; L171-I189 HydrophobicContact CD2-CD1 3.79Å; L171-I189 HydrophobicContact CD2-CG1 3.88Å; I177-I189 HydrophobicContact CD1-CB 4.37Å; I177-I189 HydrophobicContact CD1-CG1 4.35Å; I177-I189 HydrophobicContact CD1-CG2 3.9Å; L184-I189 HydrophobicContact CB-CD1 4.22Å; L184-I189 HydrophobicContact CB-CG1 3.66Å; L184-I189 HydrophobicContact CD1-CG1 4.17Å; T185-I189 WeakPolarHBondContact O-CG1 3.46Å; T185-I189 PolarHBondContact O-N 3.01Å; L186-I189 PolarHBondContact O-N 3.39Å; I189-K191 PolarHBondContact O-N 3.38Å; I189-R192 PolarHBondContact O-N 3.18Å; I189-L193 HydrophobicContact CG2-CD1 3.72Å; I189-L193 HydrophobicContact CG2-CG 4.39Å; I189-L193 VanDerWaalsContact O-CG 3.28Å; I189-L193 WeakPolarHBondContact O-CG 3.49Å; I189-L193 PolarHBondContact O-N 2.96Å
190	I	94.3	Very high	94.1	Very high	17 Å²	17	58.7 Å²	58.7	9%	0.087	28%	0.275	C	S	.	.	H	α-helix	trans	-58.7	-50.3	-178.8	-65.5	161.3	0	0	0	110.2	L155 L165 L186 R192 L193 E194	L155-I190 HydrophobicContact CD1-CD1 3.66Å; L155-I190 HydrophobicContact CD2-CD1 3.61Å; L155-I190 HydrophobicContact CD2-CG1 4.29Å; L155-I190 HydrophobicContact CG-CD1 4.04Å; L165-I190 HydrophobicContact CD2-CD1 3.85Å; L186-I190 HydrophobicContact CD1-CD1 3.9Å; L186-I190 HydrophobicContact CD1-CG1 4.02Å; L186-I190 HydrophobicContact CG-CD1 3.83Å; L186-I190 HydrophobicContact CG-CG1 4.43Å; L186-I190 WeakPolarHBondContact O-CD1 3.39Å; L186-I190 VanDerWaalsContact O-CG1 3.28Å; L186-I190 WeakPolarHBondContact O-CG1 3.11Å; L186-I190 PolarHBondContact O-N 3.49Å; I190-R192 VanDerWaalsContact C-N 3.31Å; I190-R192 PolarHBondContact O-N 3.1Å; I190-L193 PolarHBondContact O-N 2.9Å; I190-L193 VanDerWaalsContact O-N 3.11Å; I190-E194 HydrophobicContact CG2-CG 4.16Å; I190-E194 WeakPolarHBondContact CG2-OE1 3.36Å; I190-E194 WeakPolarHBondContact O-CB 3.36Å; I190-E194 WeakPolarHBondContact O-CG 3.32Å; I190-E194 PolarHBondContact O-N 3.08Å
191	K	94.5	Very high	94.4	Very high	128 Å²	128	51.2 Å²	51.2	56%	0.557	24%	0.235	S	C	*	.	H	α-helix	trans	-55.9	-45.7	179.7	-178.5	-178.9	177.4	-177.8	0	111.8	R187 I189 E194 D195	R187-K191 WeakPolarHBondContact O-CB 3.39Å; R187-K191 PolarHBondContact O-N 2.92Å; R187-K191 VanDerWaalsContact O-N 3.12Å; I189-K191 PolarHBondContact O-N 3.38Å; K191-E194 PolarHBondContact O-N 2.89Å; K191-D195 VanDerWaalsContact O-CB 3.29Å; K191-D195 WeakPolarHBondContact O-CB 3.44Å; K191-D195 PolarHBondContact O-N 3.5Å
192	R	94.7	Very high	94.6	Very high	48 Å²	48	46.1 Å²	46.1	18%	0.181	21%	0.213	C	C	.	.	H	α-helix	trans	-68.3	-36.4	179.4	-70.1	-176.6	-171.6	-148.5	-2.1	112.2	I177 E188 I189 I190 V196 P224	I177-R192 HydrophobicContact CB-CB 4.2Å; I177-R192 HydrophobicContact CG2-CB 4.47Å; I177-R192 WeakPolarHBondContact O-CD 3.25Å; I177-R192 PolarHBondContact O-NH1 3.44Å; E188-R192 WeakPolarHBondContact O-CB 3.21Å; E188-R192 VanDerWaalsContact O-CG 3.26Å; E188-R192 WeakPolarHBondContact O-CG 3.44Å; E188-R192 PolarHBondContact O-N 2.92Å; E188-R192 IonicContact OE1-CZ 3.65Å; E188-R192 IonicContact OE1-NE 3.28Å; E188-R192 PolarHBondContact OE1-NE 3.42Å; E188-R192 IonicContact OE1-NH2 2.87Å; E188-R192 PolarHBondContact OE1-NH2 3.35Å; I189-R192 PolarHBondContact O-N 3.18Å; I190-R192 VanDerWaalsContact C-N 3.31Å; I190-R192 PolarHBondContact O-N 3.1Å; R192-V196 WeakPolarHBondContact O-CG2 3.21Å; R192-V196 PolarHBondContact O-N 3.47Å; R192-P224 VanDerWaalsContact NH1-CG 3.29Å
193	L	94.9	Very high	94.9	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-66.2	-43.7	174.4	-69.1	168.1	0	0	0	111.5	I121 I122 Y125 I177 I189 I190 V196 Y197	I121-L193 HydrophobicContact CG2-CD1 4.5Å; I122-L193 HydrophobicContact CB-CD1 4.41Å; I122-L193 HydrophobicContact CG1-CD1 3.9Å; I122-L193 HydrophobicContact CG2-CD2 4.31Å; Y125-L193 HydrophobicContact CD1-CB 3.85Å; Y125-L193 HydrophobicContact CD2-CB 4.2Å; Y125-L193 HydrophobicContact CD2-CD1 3.75Å; Y125-L193 HydrophobicContact CE1-CB 4.35Å; Y125-L193 HydrophobicContact CE2-CD1 4.36Å; Y125-L193 HydrophobicContact CG-CB 3.76Å; Y125-L193 HydrophobicContact CG-CD1 4.01Å; Y125-L193 HydrophobicContact CG-CG 4.38Å; I177-L193 HydrophobicContact CD1-CD2 4.29Å; I177-L193 HydrophobicContact CD1-CG 4.24Å; I177-L193 HydrophobicContact CG2-CD2 4.01Å; I189-L193 HydrophobicContact CG2-CD1 3.72Å; I189-L193 HydrophobicContact CG2-CG 4.39Å; I189-L193 VanDerWaalsContact O-CG 3.28Å; I189-L193 WeakPolarHBondContact O-CG 3.49Å; I189-L193 PolarHBondContact O-N 2.96Å; I190-L193 PolarHBondContact O-N 2.9Å; I190-L193 VanDerWaalsContact O-N 3.11Å; L193-V196 PolarHBondContact O-N 3.02Å; L193-Y197 HydrophobicContact CD2-CD2 4.22Å; L193-Y197 HydrophobicContact CD2-CE2 4.11Å; L193-Y197 WeakPolarHBondContact O-CB 3.3Å; L193-Y197 WeakPolarHBondContact O-CD2 3.49Å; L193-Y197 PolarHBondContact O-N 2.88Å
194	E	93.4	Very high	94.9	Very high	80 Å²	80	35.1 Å²	35.1	37%	0.374	16%	0.162	S	C	.	.	H	α-helix	trans	-63	-43.8	175.1	-72.8	174.4	168.8	0	0	111.5	Y125 I190 K191 V196 C198 K199	Y125-E194 HydrophobicContact CE1-CG 3.67Å; Y125-E194 PolarHBondContact OH-OE1 3.44Å; I190-E194 HydrophobicContact CG2-CG 4.16Å; I190-E194 WeakPolarHBondContact CG2-OE1 3.36Å; I190-E194 WeakPolarHBondContact O-CB 3.36Å; I190-E194 WeakPolarHBondContact O-CG 3.32Å; I190-E194 PolarHBondContact O-N 3.08Å; K191-E194 PolarHBondContact O-N 2.89Å; E194-V196 PolarHBondContact O-N 3.07Å; E194-C198 HydrophobicContact CB-CB 4.42Å; E194-C198 CarbonylContact O-C 3.5Å; E194-C198 WeakPolarHBondContact O-CA 3.43Å; E194-C198 WeakPolarHBondContact O-CB 3.31Å; E194-C198 PolarHBondContact O-N 3.44Å; E194-K199 PolarHBondContact O-N 3.37Å
195	D	93	Very high	95	Very high	51 Å²	51	35 Å²	35	27%	0.273	16%	0.161	S	C	.	.	H	α-helix	trans	-57.9	-31.7	176.7	-73.6	-13	0	0	0	112.4	K191 K199	K191-D195 VanDerWaalsContact O-CB 3.29Å; K191-D195 WeakPolarHBondContact O-CB 3.44Å; K191-D195 PolarHBondContact O-N 3.5Å; D195-K199 VanDerWaalsContact CG-NZ 3.34Å; D195-K199 WeakPolarHBondContact OD1-CE 3.4Å; D195-K199 IonicContact OD1-NZ 2.83Å; D195-K199 PolarHBondContact OD1-NZ 3.39Å; D195-K199 IonicContact OD2-NZ 2.73Å
196	V	94.1	Very high	95	Very high	19 Å²	19	36 Å²	36	12%	0.115	16%	0.164	C	C	.	.	H	α-helix	trans	-91.9	-44.7	-176.4	173.3	0	0	0	0	112.6	R192 L193 E194 I203 F221 E222	R192-V196 WeakPolarHBondContact O-CG2 3.21Å; R192-V196 PolarHBondContact O-N 3.47Å; L193-V196 PolarHBondContact O-N 3.02Å; E194-V196 PolarHBondContact O-N 3.07Å; V196-I203 HydrophobicContact CG1-CD1 4.44Å; V196-F221 HydrophobicContact CG1-CB 3.91Å; V196-E222 HydrophobicContact CG1-CG 4.2Å
197	Y	94.4	Very high	94.9	Very high	1 Å²	1	38.2 Å²	38.2	0%	0.004	17%	0.173	C	C	.	.	H	α-helix	trans	-109.3	-13.5	-167.1	-66.2	-66	0	0	0	114.6	Q126 G129 H130 L193 I201 I203 Y205 E222	Q126-Y197 HydrophobicContact CG-CE2 3.88Å; G129-Y197 CarbonylContact C-O 3.54Å; H130-Y197 PolarHBondContact N-O 2.99Å; L193-Y197 HydrophobicContact CD2-CD2 4.22Å; L193-Y197 HydrophobicContact CD2-CE2 4.11Å; L193-Y197 WeakPolarHBondContact O-CB 3.3Å; L193-Y197 WeakPolarHBondContact O-CD2 3.49Å; L193-Y197 PolarHBondContact O-N 2.88Å; Y197-I201 CarbonylContact C-O 3.51Å; Y197-I203 HydrophobicContact CD1-CB 4.39Å; Y197-I203 HydrophobicContact CD1-CD1 4.05Å; Y197-I203 HydrophobicContact CD1-CG1 4.49Å; Y197-I203 HydrophobicContact CE1-CB 4.34Å; Y197-I203 HydrophobicContact CE1-CD1 3.85Å; Y197-Y205 HydrophobicContact CE1-CE1 4.12Å; Y197-Y205 PolarHBondContact OH-OH 3.49Å; Y197-E222 HydrophobicContact CE2-CG 4.12Å; Y197-E222 WeakPolarHBondContact OH-CG 3.43Å; Y197-E222 PolarHBondContact OH-OE1 2.72Å
198	C	92.6	Very high	94.9	Very high	17 Å²	17	33.6 Å²	33.6	12%	0.115	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-127.3	2.7	-169.1	-54	0	0	0	0	114.6	I132 A133 D134 E194	I132-C198 HydrophobicContact CD1-CB 4.36Å; I132-C198 HydrophobicContact CG1-CB 4.22Å; A133-C198 WeakPolarHBondContact CA-O 3.47Å; D134-C198 PolarHBondContact N-O 3.01Å; E194-C198 HydrophobicContact CB-CB 4.42Å; E194-C198 CarbonylContact O-C 3.5Å; E194-C198 WeakPolarHBondContact O-CA 3.43Å; E194-C198 WeakPolarHBondContact O-CB 3.31Å; E194-C198 PolarHBondContact O-N 3.44Å
199	K	93.2	Very high	94.7	Very high	98 Å²	98	38 Å²	38	43%	0.426	18%	0.182	S	C	.	.	S	Bend	trans	-90.4	-139.6	171.9	-69.5	-170.7	177.3	170.3	0	110.8	D134 E194 D195 I201	D134-K199 PolarHBondContact N-O 3.11Å; E194-K199 PolarHBondContact O-N 3.37Å; D195-K199 VanDerWaalsContact CG-NZ 3.34Å; D195-K199 WeakPolarHBondContact OD1-CE 3.4Å; D195-K199 IonicContact OD1-NZ 2.83Å; D195-K199 PolarHBondContact OD1-NZ 3.39Å; D195-K199 IonicContact OD2-NZ 2.73Å; K199-I201 PolarHBondContact O-N 2.85Å
200	H	95.3	Very high	94.7	Very high	62 Å²	62	40 Å²	40	29%	0.287	20%	0.196	S	C	.	.	S	Bend	trans	-72.9	6.6	-178.2	-50.2	126.2	0	0	0	114.9	D134 A458 N459 D462	D134-H200 WeakPolarHBondContact O-CA 3.47Å; D134-H200 IonicContact OD2-CD2 2.6Å; D134-H200 IonicContact OD2-NE2 3.93Å; H200-A458 WeakPolarHBondContact O-CA 3.17Å; H200-N459 HydrophobicContact CB-CB 3.92Å; H200-N459 PolarHBondContact O-N 2.67Å; H200-D462 HydrophobicContact CB-CB 3.93Å; H200-D462 IonicContact CE1-OD2 3.82Å; H200-D462 IonicContact CG-OD2 2.97Å; H200-D462 IonicContact ND1-OD2 2.93Å; H200-D462 PolarHBondContact ND1-OD2 3.07Å
201	I	96.5	Very high	94.6	Very high	7 Å²	7	46.5 Å²	46.5	4%	0.036	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	129.7	176.2	-56.8	176.4	0	0	0	109.2	Y197 K199 I203 F221 M227 H457 V469	Y197-I201 CarbonylContact C-O 3.51Å; K199-I201 PolarHBondContact O-N 2.85Å; I201-I203 HydrophobicContact CG2-CD1 4.35Å; I201-I203 HydrophobicContact CG2-CG1 3.79Å; I201-F221 HydrophobicContact CD1-CE1 4.42Å; I201-F221 HydrophobicContact CG2-CE1 4.13Å; I201-M227 HydrophobicContact CD1-SD 3.63Å; I201-H457 CarbonylContact C-O 2.93Å; I201-H457 VanDerWaalsContact CA-O 3.31Å; I201-H457 WeakPolarHBondContact CA-O 3.29Å; I201-V469 HydrophobicContact CD1-CG2 3.94Å; I201-V469 HydrophobicContact CG1-CG2 4.12Å; I201-V469 HydrophobicContact CG2-CG2 3.94Å
202	G	95.7	Very high	94.7	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	133	168.9	0	0	0	0	0	109.3	H457	G202-H457 PolarHBondContact N-O 2.94Å; G202-H457 PolarHBondContact O-CD2 3.28Å; G202-H457 PolarHBondContact O-N 2.61Å
203	I	97.2	Very high	94.8	Very high	1 Å²	1	44.8 Å²	44.8	1%	0.005	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	118.1	-173.4	-49.5	167.9	0	0	0	108.8	V196 Y197 I201 Y205 I217 F221 L454 L456	V196-I203 HydrophobicContact CG1-CD1 4.44Å; Y197-I203 HydrophobicContact CD1-CB 4.39Å; Y197-I203 HydrophobicContact CD1-CD1 4.05Å; Y197-I203 HydrophobicContact CD1-CG1 4.49Å; Y197-I203 HydrophobicContact CE1-CB 4.34Å; Y197-I203 HydrophobicContact CE1-CD1 3.85Å; I201-I203 HydrophobicContact CG2-CD1 4.35Å; I201-I203 HydrophobicContact CG2-CG1 3.79Å; I203-Y205 HydrophobicContact CB-CD1 4.46Å; I203-Y205 HydrophobicContact CG2-CD1 3.67Å; I203-Y205 HydrophobicContact CG2-CE1 4.36Å; I203-Y205 HydrophobicContact CG2-CG 4.44Å; I203-I217 HydrophobicContact CG2-CG2 3.92Å; I203-F221 HydrophobicContact CD1-CB 3.61Å; I203-F221 HydrophobicContact CD1-CD1 3.46Å; I203-F221 VanDerWaalsContact CD1-CD1 3.46Å; I203-F221 HydrophobicContact CD1-CD2 3.58Å; I203-F221 HydrophobicContact CD1-CE1 3.93Å; I203-F221 HydrophobicContact CD1-CE2 4.03Å; I203-F221 HydrophobicContact CD1-CG 3.26Å; I203-F221 HydrophobicContact CD1-CZ 4.2Å; I203-F221 HydrophobicContact CG1-CD1 4.35Å; I203-F221 HydrophobicContact CG1-CE1 4.37Å; I203-F221 HydrophobicContact CG1-CG 4.42Å; I203-F221 HydrophobicContact CG1-CZ 4.45Å; I203-F221 HydrophobicContact CG2-CE2 4.47Å; I203-L454 HydrophobicContact CG2-CD1 4.45Å; I203-L456 HydrophobicContact CB-CD2 4.46Å; I203-L456 HydrophobicContact CG1-CD2 4.37Å; I203-L456 HydrophobicContact CG2-CD2 3.81Å
204	E	96.3	Very high	94.9	Very high	5 Å²	5	45.2 Å²	45.2	2%	0.023	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	111.2	172.3	-45.5	-169.1	90.4	0	0	110.5	H130 F207 R449 I455 H457	H130-E204 HydrophobicContact CB-CG 4.4Å; H130-E204 IonicContact CE1-OE1 3.39Å; H130-E204 PolarHBondContact CE1-OE1 3.23Å; H130-E204 IonicContact ND1-OE1 3.07Å; H130-E204 IonicContact NE2-OE1 3.42Å; E204-F207 HydrophobicContact CB-CE1 3.71Å; E204-F207 HydrophobicContact CB-CZ 4.49Å; E204-R449 IonicContact OE1-CZ 3.67Å; E204-R449 IonicContact OE1-NH1 2.6Å; E204-R449 IonicContact OE1-NH2 3.98Å; E204-R449 PolarHBondContact OE1-NH2 3.25Å; E204-R449 IonicContact OE2-NH2 2.94Å; E204-R449 PolarHBondContact OE2-NH2 2.89Å; E204-I455 HydrophobicContact CB-CB 4.18Å; E204-I455 PolarHBondContact N-O 2.77Å; E204-I455 PolarHBondContact O-N 2.7Å; E204-H457 WeakPolarHBondContact CG-NE2 3.48Å; E204-H457 IonicContact OE2-CE1 3.18Å; E204-H457 IonicContact OE2-NE2 2.64Å; E204-H457 PolarHBondContact OE2-NE2 3.12Å
205	Y	96.8	Very high	95	Very high	1 Å²	1	43.2 Å²	43.2	0%	0.004	22%	0.223	C	C	.	.			trans	-146.6	-10.7	-178.1	74.2	-78.1	0	0	0	114.1	Q126 Y197 I203 F207 I208 C214 I217 R218	Q126-Y205 WeakPolarHBondContact CG-OH 3.49Å; Y197-Y205 HydrophobicContact CE1-CE1 4.12Å; Y197-Y205 PolarHBondContact OH-OH 3.49Å; I203-Y205 HydrophobicContact CB-CD1 4.46Å; I203-Y205 HydrophobicContact CG2-CD1 3.67Å; I203-Y205 HydrophobicContact CG2-CE1 4.36Å; I203-Y205 HydrophobicContact CG2-CG 4.44Å; Y205-F207 PolarHBondContact O-N 3.16Å; Y205-F207 VanDerWaalsContact O-N 3.13Å; Y205-I208 VanDerWaalsContact O-CB 3.25Å; Y205-I208 WeakPolarHBondContact O-CB 3.43Å; Y205-I208 VanDerWaalsContact O-CG1 3.29Å; Y205-I208 WeakPolarHBondContact O-CG1 3.41Å; Y205-I208 PolarHBondContact O-N 2.86Å; Y205-C214 HydrophobicContact CD2-CB 3.93Å; Y205-C214 HydrophobicContact CE2-CB 3.89Å; Y205-I217 VanDerWaalsContact CB-CD1 3.48Å; Y205-I217 HydrophobicContact CD1-CG2 4.08Å; Y205-I217 HydrophobicContact CD2-CB 4.27Å; Y205-I217 HydrophobicContact CD2-CD1 3.97Å; Y205-I217 HydrophobicContact CD2-CG2 4.19Å; Y205-I217 HydrophobicContact CE1-CG2 4.45Å; Y205-I217 HydrophobicContact CG-CB 4.44Å; Y205-I217 HydrophobicContact CG-CD1 3.93Å; Y205-I217 HydrophobicContact CG-CG2 3.95Å; Y205-R218 HydrophobicContact CE2-CG 4.16Å; Y205-R218 VanDerWaalsContact OH-CG 3.26Å; Y205-R218 WeakPolarHBondContact OH-CG 3.27Å; Y205-R218 PolarHBondContact OH-NE 2.83Å
206	M	95.3	Very high	95.2	Very high	59 Å²	59	41.6 Å²	41.6	29%	0.291	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-13.2	-174.4	-71	-63	-66.8	0	0	113.6	Q126 I208	Q126-M206 HydrophobicContact CB-SD 4.28Å; Q126-M206 VanDerWaalsContact O-CG 3.28Å; Q126-M206 WeakPolarHBondContact O-CG 3.14Å; M206-I208 VanDerWaalsContact C-N 3.34Å
207	F	94.4	Very high	95.3	Very high	46 Å²	46	40.8 Å²	40.8	20%	0.202	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-10.8	170	57.8	-104	0	0	0	113.5	E204 Y205 N209 R449 N452 S453 I455	E204-F207 HydrophobicContact CB-CE1 3.71Å; E204-F207 HydrophobicContact CB-CZ 4.49Å; Y205-F207 PolarHBondContact O-N 3.16Å; Y205-F207 VanDerWaalsContact O-N 3.13Å; F207-N209 PolarHBondContact O-N 3.26Å; F207-R449 HydrophobicContact CD1-CG 4.44Å; F207-R449 HydrophobicContact CE1-CG 4.07Å; F207-R449 HydrophobicContact CE2-CG 4.46Å; F207-R449 HydrophobicContact CZ-CG 4.09Å; F207-N452 HydrophobicContact CD2-CB 4.37Å; F207-N452 PolarHBondContact O-OD1 3.46Å; F207-S453 VanDerWaalsContact CE2-O 3.24Å; F207-S453 WeakPolarHBondContact CE2-O 3.44Å; F207-S453 VanDerWaalsContact CZ-O 3.23Å; F207-S453 WeakPolarHBondContact CZ-O 3.31Å; F207-I455 HydrophobicContact CE1-CD1 4.31Å; F207-I455 HydrophobicContact CZ-CD1 3.97Å; F207-I455 HydrophobicContact CZ-CG1 4.23Å
208	I	95.5	Very high	95.4	Very high	12 Å²	12	41.8 Å²	41.8	6%	0.062	21%	0.212	C	C	.	.			trans	-73.2	118	-179.2	-58.4	178.7	0	0	0	109.6	Y205 M206 S210 K213 C214 I217 L454 W476	Y205-I208 VanDerWaalsContact O-CB 3.25Å; Y205-I208 WeakPolarHBondContact O-CB 3.43Å; Y205-I208 VanDerWaalsContact O-CG1 3.29Å; Y205-I208 WeakPolarHBondContact O-CG1 3.41Å; Y205-I208 PolarHBondContact O-N 2.86Å; M206-I208 VanDerWaalsContact C-N 3.34Å; I208-S210 PolarHBondContact O-N 3.27Å; I208-K213 HydrophobicContact CG2-CB 4.16Å; I208-K213 HydrophobicContact CG2-CD 4.09Å; I208-C214 PolarHBondContact O-SG 3.03Å; I208-C214 VanDerWaalsContact O-SG 3.41Å; I208-I217 HydrophobicContact CD1-CD1 4.08Å; I208-L454 HydrophobicContact CD1-CB 4.38Å; I208-W476 HydrophobicContact CD1-CH2 3.77Å; I208-W476 HydrophobicContact CD1-CZ2 4.27Å
209	N	91	Very high	95.6	Very high	147 Å²	147	45.9 Å²	45.9	79%	0.786	23%	0.225	S	C	*	.	S	Bend	trans	-76.8	51.2	-178.6	-66.2	-30.4	0	0	0	113.4	F207	F207-N209 PolarHBondContact O-N 3.26Å
210	S	94.9	Very high	95.7	Very high	40 Å²	40	44.2 Å²	44.2	28%	0.28	22%	0.218	S	C	.	.			trans	-153.9	114.2	176.2	-179.6	0	0	0	0	112.1	I208 N212 K213 C214	I208-S210 PolarHBondContact O-N 3.27Å; S210-N212 VanDerWaalsContact C-N 3.31Å; S210-N212 PolarHBondContact O-N 2.82Å; S210-K213 PolarHBondContact O-N 3.21Å; S210-C214 PolarHBondContact O-N 3.02Å; S210-C214 PolarHBondContact O-SG 2.96Å
211	L	93.4	Very high	95.7	Very high	155 Å²	155	41.7 Å²	41.7	81%	0.812	21%	0.206	S	C	*	.	H	α-helix	trans	-58.4	-41	178.3	-69.4	172.8	0	0	0	112.6	C214 D215	L211-C214 PolarHBondContact O-N 2.96Å; L211-D215 WeakPolarHBondContact O-CB 3.24Å; L211-D215 PolarHBondContact O-N 3.07Å
212	N	96	Very high	95.7	Very high	100 Å²	100	41.6 Å²	41.6	54%	0.535	21%	0.205	S	C	.	.	H	α-helix	trans	-61.8	-46.4	178.8	-176.1	2.7	0	0	0	111.2	S210 D215 W216	S210-N212 VanDerWaalsContact C-N 3.31Å; S210-N212 PolarHBondContact O-N 2.82Å; N212-D215 PolarHBondContact O-N 3.28Å; N212-W216 WeakPolarHBondContact O-CB 3.02Å; N212-W216 PolarHBondContact O-N 3.15Å
213	K	96.6	Very high	95.7	Very high	39 Å²	39	44.1 Å²	44.1	17%	0.17	22%	0.221	C	C	.	.	H	α-helix	trans	-64.2	-44.9	178.2	-66.2	-178.2	180	-177.1	0	111.9	I208 S210 D215 W216 I217 W476 F480	I208-K213 HydrophobicContact CG2-CB 4.16Å; I208-K213 HydrophobicContact CG2-CD 4.09Å; S210-K213 PolarHBondContact O-N 3.21Å; K213-D215 PolarHBondContact O-N 3.07Å; K213-W216 WeakPolarHBondContact O-CB 3.34Å; K213-W216 PolarHBondContact O-N 2.87Å; K213-I217 VanDerWaalsContact O-CG1 3.32Å; K213-I217 WeakPolarHBondContact O-CG1 3.46Å; K213-I217 PolarHBondContact O-N 2.54Å; K213-W476 HydrophobicContact CB-CH2 3.96Å; K213-W476 HydrophobicContact CB-CZ3 3.97Å; K213-W476 HydrophobicContact CD-CH2 3.87Å; K213-W476 HydrophobicContact CD-CZ3 4.49Å; K213-W476 HydrophobicContact CG-CH2 4.2Å; K213-W476 HydrophobicContact CG-CZ3 4.36Å; K213-F480 HydrophobicContact CB-CZ 4.37Å; K213-F480 HydrophobicContact CD-CD1 4.33Å; K213-F480 HydrophobicContact CD-CG 4.4Å; K213-F480 HydrophobicContact CG-CD1 3.84Å; K213-F480 HydrophobicContact CG-CD2 4.37Å; K213-F480 HydrophobicContact CG-CE1 3.7Å; K213-F480 HydrophobicContact CG-CE2 4.23Å; K213-F480 HydrophobicContact CG-CG 4.17Å; K213-F480 HydrophobicContact CG-CZ 3.9Å
214	C	96.6	Very high	95.4	Very high	9 Å²	9	47.3 Å²	47.3	6%	0.061	24%	0.242	C	C	.	.	H	α-helix	trans	-62.5	-42.3	177.7	-66.1	0	0	0	0	112	Y205 I208 S210 L211 I217 R218	Y205-C214 HydrophobicContact CD2-CB 3.93Å; Y205-C214 HydrophobicContact CE2-CB 3.89Å; I208-C214 PolarHBondContact O-SG 3.03Å; I208-C214 VanDerWaalsContact O-SG 3.41Å; S210-C214 PolarHBondContact O-N 3.02Å; S210-C214 PolarHBondContact O-SG 2.96Å; L211-C214 PolarHBondContact O-N 2.96Å; C214-I217 PolarHBondContact O-N 3.44Å; C214-R218 WeakPolarHBondContact O-CG 3.37Å; C214-R218 PolarHBondContact O-N 3.45Å; C214-R218 VanDerWaalsContact O-N 3.09Å
215	D	96	Very high	95	Very high	39 Å²	39	49.1 Å²	49.1	21%	0.209	26%	0.262	C	S	.	.	H	α-helix	trans	-65	-40.3	175.3	179	73.8	0	0	0	112.5	H176 L211 N212 K213 I217 R218 R219	H176-D215 IonicContact CD2-OD1 3.49Å; H176-D215 IonicContact CE1-OD1 3.54Å; H176-D215 IonicContact NE2-OD1 3.5Å; H176-D215 PolarHBondContact NE2-OD1 3.4Å; L211-D215 WeakPolarHBondContact O-CB 3.24Å; L211-D215 PolarHBondContact O-N 3.07Å; N212-D215 PolarHBondContact O-N 3.28Å; K213-D215 PolarHBondContact O-N 3.07Å; D215-I217 VanDerWaalsContact C-N 3.33Å; D215-I217 PolarHBondContact O-N 3Å; D215-R218 PolarHBondContact O-N 3.25Å; D215-R219 PolarHBondContact O-N 3.05Å; D215-R219 IonicContact OD2-CZ 2.65Å; D215-R219 VanDerWaalsContact OD2-CZ 3.28Å; D215-R219 IonicContact OD2-NE 3.18Å; D215-R219 PolarHBondContact OD2-NE 3.17Å; D215-R219 IonicContact OD2-NH2 3.97Å; D215-R219 PolarHBondContact OD2-NH2 3.42Å
216	W	97.2	Very high	94.6	Very high	17 Å²	17	51 Å²	51	6%	0.064	28%	0.275	C	S	.	.	H	α-helix	trans	-58.9	-44.4	174.9	-176.1	102.9	0	0	0	111.6	N212 K213 R219 K220 V472 E475 W476 F480	N212-W216 WeakPolarHBondContact O-CB 3.02Å; N212-W216 PolarHBondContact O-N 3.15Å; K213-W216 WeakPolarHBondContact O-CB 3.34Å; K213-W216 PolarHBondContact O-N 2.87Å; W216-R219 PolarHBondContact O-N 3.48Å; W216-K220 HydrophobicContact CD2-CG 4.07Å; W216-K220 HydrophobicContact CE3-CG 3.89Å; W216-K220 HydrophobicContact CH2-CD 4.32Å; W216-K220 HydrophobicContact CH2-CG 3.82Å; W216-K220 HydrophobicContact CZ2-CD 4.24Å; W216-K220 HydrophobicContact CZ2-CG 4.03Å; W216-K220 HydrophobicContact CZ3-CG 3.76Å; W216-K220 WeakPolarHBondContact O-CG 3.24Å; W216-K220 PolarHBondContact O-N 3.31Å; W216-K220 VanDerWaalsContact O-N 3.12Å; W216-V472 HydrophobicContact CH2-CG1 4.01Å; W216-V472 HydrophobicContact CZ3-CG1 3.87Å; W216-E475 HydrophobicContact CH2-CB 3.92Å; W216-E475 HydrophobicContact CZ2-CB 3.84Å; W216-W476 HydrophobicContact CE3-CE3 4.06Å; W216-W476 HydrophobicContact CH2-CB 3.97Å; W216-W476 HydrophobicContact CZ3-CB 4.07Å; W216-W476 AromaticContact CZ3-CE3 3.97Å; W216-W476 HydrophobicContact CZ3-CE3 3.97Å; W216-F480 HydrophobicContact CB-CE2 4.09Å; W216-F480 HydrophobicContact CB-CZ 3.77Å; W216-F480 AromaticContact CD1-CZ 3.91Å; W216-F480 AromaticContact CD2-CE2 3.68Å; W216-F480 HydrophobicContact CD2-CE2 3.68Å; W216-F480 HydrophobicContact CD2-CZ 4.15Å; W216-F480 AromaticContact CE3-CE2 3.94Å; W216-F480 HydrophobicContact CE3-CE2 3.94Å; W216-F480 AromaticContact CG-CE2 3.75Å; W216-F480 HydrophobicContact CG-CE2 3.75Å; W216-F480 AromaticContact CG-CZ 3.69Å; W216-F480 HydrophobicContact CG-CZ 3.69Å
217	I	97.2	Very high	94.2	Very high	1 Å²	1	51.6 Å²	51.6	1%	0.005	28%	0.278	C	S	.	.	H	α-helix	trans	-61.1	-48.1	176.9	-66.9	165.6	0	0	0	110	I203 Y205 I208 K213 C214 D215 R219 K220 F221 L454 W476	I203-I217 HydrophobicContact CG2-CG2 3.92Å; Y205-I217 VanDerWaalsContact CB-CD1 3.48Å; Y205-I217 HydrophobicContact CD1-CG2 4.08Å; Y205-I217 HydrophobicContact CD2-CB 4.27Å; Y205-I217 HydrophobicContact CD2-CD1 3.97Å; Y205-I217 HydrophobicContact CD2-CG2 4.19Å; Y205-I217 HydrophobicContact CE1-CG2 4.45Å; Y205-I217 HydrophobicContact CG-CB 4.44Å; Y205-I217 HydrophobicContact CG-CD1 3.93Å; Y205-I217 HydrophobicContact CG-CG2 3.95Å; I208-I217 HydrophobicContact CD1-CD1 4.08Å; K213-I217 VanDerWaalsContact O-CG1 3.32Å; K213-I217 WeakPolarHBondContact O-CG1 3.46Å; K213-I217 PolarHBondContact O-N 2.54Å; C214-I217 PolarHBondContact O-N 3.44Å; D215-I217 VanDerWaalsContact C-N 3.33Å; D215-I217 PolarHBondContact O-N 3Å; I217-R219 VanDerWaalsContact C-N 3.31Å; I217-R219 PolarHBondContact O-N 3.07Å; I217-K220 PolarHBondContact O-N 3.28Å; I217-F221 HydrophobicContact CG2-CD2 3.88Å; I217-F221 HydrophobicContact CG2-CE2 4.15Å; I217-F221 WeakPolarHBondContact O-CD2 3.48Å; I217-F221 PolarHBondContact O-N 3.22Å; I217-F221 VanDerWaalsContact O-N 3.14Å; I217-L454 HydrophobicContact CD1-CD1 3.64Å; I217-L454 HydrophobicContact CD1-CD2 4.18Å; I217-L454 HydrophobicContact CD1-CG 4.42Å; I217-L454 HydrophobicContact CG1-CD1 4.34Å; I217-L454 HydrophobicContact CG1-CD2 4.22Å; I217-W476 HydrophobicContact CD1-CE3 4.31Å; I217-W476 HydrophobicContact CD1-CH2 4.2Å; I217-W476 HydrophobicContact CD1-CZ3 3.63Å; I217-W476 HydrophobicContact CG1-CE3 4.2Å; I217-W476 HydrophobicContact CG1-CZ3 3.87Å
218	R	96.1	Very high	94	Very high	23 Å²	23	55.8 Å²	55.8	9%	0.087	30%	0.303	C	S	.	.	H	α-helix	trans	-56.7	-44.4	177.1	-69.2	172.8	-167.7	143.7	1.4	111.8	T174 Y205 C214 D215 K220 F221 E222	T174-R218 VanDerWaalsContact O-CD 3.25Å; T174-R218 WeakPolarHBondContact O-CD 3.33Å; T174-R218 PolarHBondContact O-NE 3.49Å; Y205-R218 HydrophobicContact CE2-CG 4.16Å; Y205-R218 VanDerWaalsContact OH-CG 3.26Å; Y205-R218 WeakPolarHBondContact OH-CG 3.27Å; Y205-R218 PolarHBondContact OH-NE 2.83Å; C214-R218 WeakPolarHBondContact O-CG 3.37Å; C214-R218 PolarHBondContact O-N 3.45Å; C214-R218 VanDerWaalsContact O-N 3.09Å; D215-R218 PolarHBondContact O-N 3.25Å; R218-K220 VanDerWaalsContact C-N 3.28Å; R218-K220 PolarHBondContact O-N 2.86Å; R218-F221 PolarHBondContact O-N 2.82Å; R218-E222 HydrophobicContact CB-CG 4.31Å; R218-E222 WeakPolarHBondContact O-CA 3.21Å; R218-E222 VanDerWaalsContact O-CB 3.22Å; R218-E222 WeakPolarHBondContact O-CB 3.47Å; R218-E222 PolarHBondContact O-N 2.9Å
219	R	95.6	Very high	93.9	Very high	102 Å²	102	57.1 Å²	57.1	39%	0.385	31%	0.31	S	S	.	.	H	α-helix	trans	-59	-37.6	175.5	-77.4	-175.6	-86.7	134.6	-3.3	112.9	H176 D215 W216 I217 T223	H176-R219 VanDerWaalsContact CD2-CG 3.49Å; H176-R219 WeakPolarHBondContact CD2-CG 3.34Å; H176-R219 WeakPolarHBondContact NE2-CG 3.45Å; D215-R219 PolarHBondContact O-N 3.05Å; D215-R219 IonicContact OD2-CZ 2.65Å; D215-R219 VanDerWaalsContact OD2-CZ 3.28Å; D215-R219 IonicContact OD2-NE 3.18Å; D215-R219 PolarHBondContact OD2-NE 3.17Å; D215-R219 IonicContact OD2-NH2 3.97Å; D215-R219 PolarHBondContact OD2-NH2 3.42Å; W216-R219 PolarHBondContact O-N 3.48Å; I217-R219 VanDerWaalsContact C-N 3.31Å; I217-R219 PolarHBondContact O-N 3.07Å; R219-T223 VanDerWaalsContact O-CB 3.32Å; R219-T223 WeakPolarHBondContact O-CB 3.19Å; R219-T223 PolarHBondContact O-OG1 3.26Å
220	K	96.1	Very high	94.1	Very high	64 Å²	64	52.8 Å²	52.8	28%	0.278	29%	0.291	S	S	.	.	H	α-helix	trans	-72.5	-28.5	-179.3	-68	-66.1	179.9	175.1	0	114.1	W216 I217 R218 S226 H468 V472 E475	W216-K220 HydrophobicContact CD2-CG 4.07Å; W216-K220 HydrophobicContact CE3-CG 3.89Å; W216-K220 HydrophobicContact CH2-CD 4.32Å; W216-K220 HydrophobicContact CH2-CG 3.82Å; W216-K220 HydrophobicContact CZ2-CD 4.24Å; W216-K220 HydrophobicContact CZ2-CG 4.03Å; W216-K220 HydrophobicContact CZ3-CG 3.76Å; W216-K220 WeakPolarHBondContact O-CG 3.24Å; W216-K220 PolarHBondContact O-N 3.31Å; W216-K220 VanDerWaalsContact O-N 3.12Å; I217-K220 PolarHBondContact O-N 3.28Å; R218-K220 VanDerWaalsContact C-N 3.28Å; R218-K220 PolarHBondContact O-N 2.86Å; K220-S226 WeakPolarHBondContact O-CB 3.41Å; K220-H468 PolarHBondContact O-NE2 3.33Å; K220-V472 HydrophobicContact CB-CG1 4.24Å; K220-V472 HydrophobicContact CB-CG2 4.12Å; K220-V472 HydrophobicContact CG-CG1 4.45Å; K220-E475 WeakPolarHBondContact CE-OE2 3.26Å; K220-E475 IonicContact NZ-OE1 3.79Å; K220-E475 IonicContact NZ-OE2 2.81Å; K220-E475 PolarHBondContact NZ-OE2 2.94Å
221	F	96.4	Very high	94.1	Very high	8 Å²	8	54.2 Å²	54.2	4%	0.035	30%	0.301	C	S	.	.	H	α-helix	trans	-109.9	-44.4	-175.5	-70	-81	0	0	0	113.7	V196 I201 I203 I217 R218 S226 L456 H468 V469 V472	V196-F221 HydrophobicContact CG1-CB 3.91Å; I201-F221 HydrophobicContact CD1-CE1 4.42Å; I201-F221 HydrophobicContact CG2-CE1 4.13Å; I203-F221 HydrophobicContact CD1-CB 3.61Å; I203-F221 HydrophobicContact CD1-CD1 3.46Å; I203-F221 VanDerWaalsContact CD1-CD1 3.46Å; I203-F221 HydrophobicContact CD1-CD2 3.58Å; I203-F221 HydrophobicContact CD1-CE1 3.93Å; I203-F221 HydrophobicContact CD1-CE2 4.03Å; I203-F221 HydrophobicContact CD1-CG 3.26Å; I203-F221 HydrophobicContact CD1-CZ 4.2Å; I203-F221 HydrophobicContact CG1-CD1 4.35Å; I203-F221 HydrophobicContact CG1-CE1 4.37Å; I203-F221 HydrophobicContact CG1-CG 4.42Å; I203-F221 HydrophobicContact CG1-CZ 4.45Å; I203-F221 HydrophobicContact CG2-CE2 4.47Å; I217-F221 HydrophobicContact CG2-CD2 3.88Å; I217-F221 HydrophobicContact CG2-CE2 4.15Å; I217-F221 WeakPolarHBondContact O-CD2 3.48Å; I217-F221 PolarHBondContact O-N 3.22Å; I217-F221 VanDerWaalsContact O-N 3.14Å; R218-F221 PolarHBondContact O-N 2.82Å; F221-S226 PolarHBondContact O-OG 2.97Å; F221-L456 HydrophobicContact CE2-CD2 3.9Å; F221-L456 HydrophobicContact CZ-CD1 4.18Å; F221-L456 HydrophobicContact CZ-CD2 3.67Å; F221-H468 AromaticContact CD1-CD2 3.87Å; F221-H468 AromaticContact CD1-NE2 3.76Å; F221-H468 AromaticContact CE1-CD2 3.7Å; F221-H468 AromaticContact CE1-NE2 3.91Å; F221-V469 HydrophobicContact CE1-CG2 4.41Å; F221-V472 HydrophobicContact CE2-CB 4.43Å; F221-V472 HydrophobicContact CE2-CG1 3.69Å; F221-V472 HydrophobicContact CE2-CG2 4.43Å; F221-V472 HydrophobicContact CZ-CB 4.11Å; F221-V472 HydrophobicContact CZ-CG1 3.84Å; F221-V472 HydrophobicContact CZ-CG2 4.12Å
222	E	96.3	Very high	94.2	Very high	5 Å²	5	54.2 Å²	54.2	2%	0.023	30%	0.297	C	S	.	.	H	α-helix	trans	-76.3	-24.1	-175.2	-61.8	-176.8	159	0	0	113.6	Q126 T175 H176 I177 V196 Y197 R218 P224	Q126-E222 PolarHBondContact NE2-OE1 2.94Å; T175-E222 WeakPolarHBondContact CA-OE2 3.36Å; T175-E222 WeakPolarHBondContact CB-OE2 3.34Å; T175-E222 VanDerWaalsContact OG1-CD 3.3Å; T175-E222 PolarHBondContact OG1-OE1 3.03Å; T175-E222 PolarHBondContact OG1-OE2 3.19Å; H176-E222 HydrophobicContact CB-CB 4.12Å; H176-E222 PolarHBondContact N-OE2 2.94Å; I177-E222 WeakPolarHBondContact CA-O 3.42Å; I177-E222 HydrophobicContact CG2-CB 3.8Å; I177-E222 HydrophobicContact CG2-CG 3.96Å; V196-E222 HydrophobicContact CG1-CG 4.2Å; Y197-E222 HydrophobicContact CE2-CG 4.12Å; Y197-E222 WeakPolarHBondContact OH-CG 3.43Å; Y197-E222 PolarHBondContact OH-OE1 2.72Å; R218-E222 HydrophobicContact CB-CG 4.31Å; R218-E222 WeakPolarHBondContact O-CA 3.21Å; R218-E222 VanDerWaalsContact O-CB 3.22Å; R218-E222 WeakPolarHBondContact O-CB 3.47Å; R218-E222 PolarHBondContact O-N 2.9Å; E222-P224 WeakPolarHBondContact O-CD 3.02Å
223	T	94	Very high	94.1	Very high	54 Å²	54	53.3 Å²	53.3	33%	0.331	29%	0.289	S	S	.	.	S	Bend	trans	-62.5	123.3	-179.2	-56.8	0	0	0	0	110.5	R219 G225 S226	R219-T223 VanDerWaalsContact O-CB 3.32Å; R219-T223 WeakPolarHBondContact O-CB 3.19Å; R219-T223 PolarHBondContact O-OG1 3.26Å; T223-G225 PolarHBondContact O-N 3.38Å; T223-S226 WeakPolarHBondContact O-CB 3.49Å; T223-S226 PolarHBondContact O-N 3.21Å; T223-S226 VanDerWaalsContact O-N 3.12Å; T223-S226 PolarHBondContact O-OG 3.27Å
224	P	91.5	Very high	94.2	Very high	67 Å²	67	53.1 Å²	53.1	44%	0.435	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.5	132	-179.5	-27.3	35.1	0	0	0	112.8	R192 E222 S226	R192-P224 VanDerWaalsContact NH1-CG 3.29Å; E222-P224 WeakPolarHBondContact O-CD 3.02Å; P224-S226 VanDerWaalsContact C-N 3.34Å
225	G	88.5	Confident	94.2	Very high	43 Å²	43	57.2 Å²	57.2	44%	0.443	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.9	5.9	-179.7	0	0	0	0	0	115.2	T223 M227 N228	T223-G225 PolarHBondContact O-N 3.38Å; G225-M227 PolarHBondContact O-N 3.35Å; G225-M227 VanDerWaalsContact O-N 3.16Å; G225-N228 WeakPolarHBondContact CA-ND2 3.39Å; G225-N228 WeakPolarHBondContact O-CB 3.22Å; G225-N228 PolarHBondContact O-N 2.86Å; G225-N228 VanDerWaalsContact O-N 3.08Å
226	S	87.8	Confident	94.2	Very high	40 Å²	40	58 Å²	58	28%	0.28	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54	-31.2	177	56	0	0	0	0	114.1	K220 F221 T223 P224 H468	K220-S226 WeakPolarHBondContact O-CB 3.41Å; F221-S226 PolarHBondContact O-OG 2.97Å; T223-S226 WeakPolarHBondContact O-CB 3.49Å; T223-S226 PolarHBondContact O-N 3.21Å; T223-S226 VanDerWaalsContact O-N 3.12Å; T223-S226 PolarHBondContact O-OG 3.27Å; P224-S226 VanDerWaalsContact C-N 3.34Å; S226-H468 PolarHBondContact O-CE1 3.2Å; S226-H468 VanDerWaalsContact O-CE1 3.29Å; S226-H468 PolarHBondContact O-ND1 2.84Å
227	M	87.8	Confident	94.2	Very high	73 Å²	73	57.6 Å²	57.6	36%	0.36	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.2	6.3	-178.9	-60.8	-167.7	-71.3	0	0	114.3	I201 G225 L229 H468	I201-M227 HydrophobicContact CD1-SD 3.63Å; G225-M227 PolarHBondContact O-N 3.35Å; G225-M227 VanDerWaalsContact O-N 3.16Å; M227-L229 PolarHBondContact O-N 2.83Å; M227-H468 HydrophobicContact CG-CB 4.28Å
228	N	90.5	Very high	94.2	Very high	134 Å²	134	58 Å²	58	72%	0.717	31%	0.307	S	S	*	.			trans	-69.1	123.2	-179	-72.6	-15.7	0	0	0	110.6	G225	G225-N228 WeakPolarHBondContact CA-ND2 3.39Å; G225-N228 WeakPolarHBondContact O-CB 3.22Å; G225-N228 PolarHBondContact O-N 2.86Å; G225-N228 VanDerWaalsContact O-N 3.08Å
229	L	93.1	Very high	94.3	Very high	40 Å²	40	57.9 Å²	57.9	21%	0.209	31%	0.312	C	S	.	.			trans	-107.3	140.5	174.5	-62.2	175	0	0	0	110.7	M227 E233 K234 I237 E464	M227-L229 PolarHBondContact O-N 2.83Å; L229-E233 HydrophobicContact CB-CB 4.28Å; L229-E233 HydrophobicContact CD2-CB 4.39Å; L229-K234 HydrophobicContact CB-CG 3.99Å; L229-K234 WeakPolarHBondContact O-CE 3.23Å; L229-I237 HydrophobicContact CD1-CD1 3.66Å; L229-E464 HydrophobicContact CD1-CB 3.83Å; L229-E464 HydrophobicContact CD1-CG 3.84Å
230	S	94.7	Very high	94.3	Very high	55 Å²	55	54 Å²	54	39%	0.385	30%	0.297	S	S	.	.			trans	-66.5	159	170.3	66.6	0	0	0	0	111.8	E232 E233 K234	S230-E232 PolarHBondContact O-N 2.88Å; S230-E233 WeakPolarHBondContact CB-OE2 3.38Å; S230-E233 PolarHBondContact N-OE2 2.8Å; S230-E233 PolarHBondContact O-N 2.94Å; S230-E233 VanDerWaalsContact OG-CG 3.28Å; S230-E233 WeakPolarHBondContact OG-CG 3.43Å; S230-E233 PolarHBondContact OG-N 3.02Å; S230-E233 PolarHBondContact OG-OE2 3.09Å; S230-K234 WeakPolarHBondContact O-CG 3.41Å; S230-K234 PolarHBondContact O-N 3.15Å
231	S	94.9	Very high	94.4	Very high	71 Å²	71	50.9 Å²	50.9	50%	0.497	28%	0.284	S	S	.	.	H	α-helix	trans	-58.5	-32.8	175.5	-57.5	0	0	0	0	112.7	R235	S231-R235 VanDerWaalsContact O-CG 3.31Å; S231-R235 WeakPolarHBondContact O-CG 3.29Å; S231-R235 PolarHBondContact O-N 3.3Å
232	E	95	Very high	94.5	Very high	154 Å²	154	50.5 Å²	50.5	72%	0.72	28%	0.282	S	S	*	.	H	α-helix	trans	-69.4	-45.3	177.2	-173.8	177.6	179.1	0	0	111.8	S230 K234 R235 L236	S230-E232 PolarHBondContact O-N 2.88Å; E232-K234 VanDerWaalsContact C-N 3.29Å; E232-K234 PolarHBondContact O-N 3.17Å; E232-R235 PolarHBondContact O-N 3.23Å; E232-L236 WeakPolarHBondContact O-CB 3.28Å; E232-L236 PolarHBondContact O-N 3.01Å
233	E	95	Very high	94.6	Very high	81 Å²	81	52.8 Å²	52.8	38%	0.379	29%	0.29	S	S	.	.	H	α-helix	trans	-60	-41.8	174.8	-73	164.5	129.4	0	0	111.1	L229 S230 R235 L236 I237	L229-E233 HydrophobicContact CB-CB 4.28Å; L229-E233 HydrophobicContact CD2-CB 4.39Å; S230-E233 WeakPolarHBondContact CB-OE2 3.38Å; S230-E233 PolarHBondContact N-OE2 2.8Å; S230-E233 PolarHBondContact O-N 2.94Å; S230-E233 VanDerWaalsContact OG-CG 3.28Å; S230-E233 WeakPolarHBondContact OG-CG 3.43Å; S230-E233 PolarHBondContact OG-N 3.02Å; S230-E233 PolarHBondContact OG-OE2 3.09Å; E233-R235 PolarHBondContact O-N 3.01Å; E233-L236 WeakPolarHBondContact O-CB 3.29Å; E233-L236 PolarHBondContact O-N 2.9Å; E233-I237 VanDerWaalsContact O-CG1 3.3Å; E233-I237 WeakPolarHBondContact O-CG1 3.28Å; E233-I237 PolarHBondContact O-N 2.92Å
234	K	97.1	Very high	94.8	Very high	36 Å²	36	50.2 Å²	50.2	16%	0.157	28%	0.275	C	S	.	.	H	α-helix	trans	-62.7	-42.8	176.8	-70.7	178.1	-177.9	-128.2	0	112.6	L229 S230 E232 L236 I237 L238 E464 Y523 L527 I532	L229-K234 HydrophobicContact CB-CG 3.99Å; L229-K234 WeakPolarHBondContact O-CE 3.23Å; S230-K234 WeakPolarHBondContact O-CG 3.41Å; S230-K234 PolarHBondContact O-N 3.15Å; E232-K234 VanDerWaalsContact C-N 3.29Å; E232-K234 PolarHBondContact O-N 3.17Å; K234-L236 VanDerWaalsContact C-N 3.35Å; K234-I237 PolarHBondContact O-N 3.21Å; K234-L238 PolarHBondContact O-N 3.12Å; K234-L238 VanDerWaalsContact O-N 3.12Å; K234-E464 VanDerWaalsContact CE-OE1 3.27Å; K234-E464 WeakPolarHBondContact CE-OE1 3.06Å; K234-E464 IonicContact NZ-OE1 2.81Å; K234-E464 PolarHBondContact NZ-OE1 3.39Å; K234-E464 IonicContact NZ-OE2 2.7Å; K234-Y523 WeakPolarHBondContact CA-OH 3.44Å; K234-Y523 WeakPolarHBondContact CB-OH 3.42Å; K234-Y523 PolarHBondContact O-OH 3.37Å; K234-L527 HydrophobicContact CB-CD1 4.48Å; K234-L527 HydrophobicContact CB-CD2 3.91Å; K234-L527 HydrophobicContact CD-CD2 4.14Å; K234-L527 HydrophobicContact CG-CD2 4.42Å; K234-I532 HydrophobicContact CB-CG2 4.45Å; K234-I532 HydrophobicContact CD-CD1 3.53Å
235	R	96.9	Very high	95.1	Very high	94 Å²	94	48 Å²	48	36%	0.355	26%	0.259	S	S	.	.	H	α-helix	trans	-62.5	-39.7	173.1	-76.3	173.8	175.9	-87.9	14	112	S231 E232 E233 L238 A239 I532 V533 E537	S231-R235 VanDerWaalsContact O-CG 3.31Å; S231-R235 WeakPolarHBondContact O-CG 3.29Å; S231-R235 PolarHBondContact O-N 3.3Å; E232-R235 PolarHBondContact O-N 3.23Å; E233-R235 PolarHBondContact O-N 3.01Å; R235-L238 WeakPolarHBondContact O-CB 3.41Å; R235-L238 PolarHBondContact O-N 2.85Å; R235-A239 PolarHBondContact O-N 3.31Å; R235-I532 HydrophobicContact CG-CG2 4.21Å; R235-I532 PolarHBondContact NE-O 3.36Å; R235-I532 PolarHBondContact NH2-O 3.39Å; R235-V533 HydrophobicContact CG-CG2 3.76Å; R235-E537 IonicContact CZ-OE1 2.83Å; R235-E537 IonicContact CZ-OE2 3.45Å; R235-E537 VanDerWaalsContact NH1-CD 3.25Å; R235-E537 IonicContact NH1-OE1 2.68Å; R235-E537 PolarHBondContact NH1-OE1 3.31Å; R235-E537 IonicContact NH1-OE2 3.48Å; R235-E537 PolarHBondContact NH1-OE2 2.86Å; R235-E537 IonicContact NH2-OE1 3.11Å; R235-E537 PolarHBondContact NH2-OE1 3.2Å; R235-E537 IonicContact NH2-OE2 2.71Å; R235-E537 PolarHBondContact NH2-OE2 3.5Å; R235-E537 VanDerWaalsContact NH2-OE2 3.12Å
236	L	96.1	Very high	95.5	Very high	56 Å²	56	49.7 Å²	49.7	29%	0.293	25%	0.253	S	S	.	.	H	α-helix	trans	-64.8	-41.6	177	178.9	61.5	0	0	0	112.1	E232 E233 K234 L238 A239 R240 M344	E232-L236 WeakPolarHBondContact O-CB 3.28Å; E232-L236 PolarHBondContact O-N 3.01Å; E233-L236 WeakPolarHBondContact O-CB 3.29Å; E233-L236 PolarHBondContact O-N 2.9Å; K234-L236 VanDerWaalsContact C-N 3.35Å; L236-L238 VanDerWaalsContact C-N 3.34Å; L236-A239 PolarHBondContact O-N 3.42Å; L236-R240 HydrophobicContact CD1-CG 4.49Å; L236-R240 WeakPolarHBondContact O-CG 3.39Å; L236-R240 PolarHBondContact O-N 3.08Å; L236-M344 HydrophobicContact CD2-CE 3.75Å; L236-M344 HydrophobicContact CD2-SD 3.89Å
237	I	97.2	Very high	96	Very high	8 Å²	8	47.8 Å²	47.8	4%	0.041	24%	0.239	C	C	.	.	H	α-helix	trans	-59.1	-48	173.9	-66.6	164.4	0	0	0	109.9	L229 E233 K234 A239 R240 L241 P463 M467 Y523	L229-I237 HydrophobicContact CD1-CD1 3.66Å; E233-I237 VanDerWaalsContact O-CG1 3.3Å; E233-I237 WeakPolarHBondContact O-CG1 3.28Å; E233-I237 PolarHBondContact O-N 2.92Å; K234-I237 PolarHBondContact O-N 3.21Å; I237-A239 PolarHBondContact O-N 3.29Å; I237-R240 PolarHBondContact O-N 3.11Å; I237-L241 HydrophobicContact CG2-CD1 3.93Å; I237-L241 HydrophobicContact CG2-CG 4.4Å; I237-L241 WeakPolarHBondContact O-CG 3.46Å; I237-L241 PolarHBondContact O-N 2.85Å; I237-P463 HydrophobicContact CG2-CB 3.58Å; I237-M467 HydrophobicContact CD1-CB 4.32Å; I237-M467 HydrophobicContact CD1-CG 3.44Å; I237-M467 VanDerWaalsContact CD1-CG 3.44Å; I237-M467 HydrophobicContact CG1-CG 3.63Å; I237-M467 HydrophobicContact CG1-SD 4.25Å; I237-Y523 HydrophobicContact CB-CE1 3.9Å; I237-Y523 HydrophobicContact CG2-CD1 4.19Å; I237-Y523 HydrophobicContact CG2-CE1 3.52Å
238	L	97.9	Very high	96.4	Very high	9 Å²	9	44.5 Å²	44.5	5%	0.047	22%	0.223	C	C	.	.	H	α-helix	trans	-57.6	-48.9	178	-179.8	65.5	0	0	0	111.4	K234 R235 L236 R240 L241 V242 L520 Y523 L527 V533 F538	K234-L238 PolarHBondContact O-N 3.12Å; K234-L238 VanDerWaalsContact O-N 3.12Å; R235-L238 WeakPolarHBondContact O-CB 3.41Å; R235-L238 PolarHBondContact O-N 2.85Å; L236-L238 VanDerWaalsContact C-N 3.34Å; L238-R240 VanDerWaalsContact C-N 3.29Å; L238-R240 PolarHBondContact O-N 3.31Å; L238-L241 PolarHBondContact O-N 2.8Å; L238-V242 WeakPolarHBondContact O-CG2 3.38Å; L238-V242 PolarHBondContact O-N 2.66Å; L238-L520 HydrophobicContact CD1-CD1 3.87Å; L238-Y523 HydrophobicContact CB-CD1 4.32Å; L238-Y523 HydrophobicContact CB-CE1 4.12Å; L238-Y523 HydrophobicContact CD1-CD1 4.24Å; L238-L527 HydrophobicContact CB-CD1 3.82Å; L238-L527 HydrophobicContact CD2-CD1 4.02Å; L238-L527 HydrophobicContact CG-CD1 4.35Å; L238-V533 HydrophobicContact CD2-CB 4.34Å; L238-V533 HydrophobicContact CD2-CG1 3.98Å; L238-V533 HydrophobicContact CD2-CG2 3.95Å; L238-F538 HydrophobicContact CD1-CD2 4.2Å; L238-F538 HydrophobicContact CD1-CE2 4.27Å; L238-F538 HydrophobicContact CD2-CD2 4.26Å
239	A	97.1	Very high	96.7	Very high	21 Å²	21	40 Å²	40	17%	0.174	20%	0.204	C	C	.	.	H	α-helix	trans	-60.2	-37.8	178.5	0	0	0	0	0	112.4	R235 L236 I237 R243 E541	R235-A239 PolarHBondContact O-N 3.31Å; L236-A239 PolarHBondContact O-N 3.42Å; I237-A239 PolarHBondContact O-N 3.29Å; A239-R243 WeakPolarHBondContact O-CG 3.48Å; A239-R243 PolarHBondContact O-N 2.68Å; A239-E541 HydrophobicContact CB-CG 4.27Å
240	R	97.3	Very high	96.9	Very high	20 Å²	20	38.8 Å²	38.8	8%	0.075	20%	0.197	C	C	.	.	H	α-helix	trans	-69	-40.3	175.9	-69.9	170.6	-178.2	-162.4	-6.2	111.9	L236 I237 L238 R243 S244 P271 K274 D278	L236-R240 HydrophobicContact CD1-CG 4.49Å; L236-R240 WeakPolarHBondContact O-CG 3.39Å; L236-R240 PolarHBondContact O-N 3.08Å; I237-R240 PolarHBondContact O-N 3.11Å; L238-R240 VanDerWaalsContact C-N 3.29Å; L238-R240 PolarHBondContact O-N 3.31Å; R240-R243 PolarHBondContact O-N 3.38Å; R240-S244 PolarHBondContact O-N 3.4Å; R240-P271 HydrophobicContact CB-CB 4.17Å; R240-P271 HydrophobicContact CB-CG 3.78Å; R240-K274 HydrophobicContact CG-CD 3.99Å; R240-D278 IonicContact CZ-OD2 3.89Å; R240-D278 VanDerWaalsContact CZ-OD2 3.27Å; R240-D278 IonicContact NH1-OD2 3.61Å; R240-D278 PolarHBondContact NH1-OD2 2.96Å; R240-D278 IonicContact NH2-OD2 2.76Å; R240-D278 PolarHBondContact NH2-OD2 3.45Å
241	L	98.1	Very high	97	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-65.7	-40.2	175.3	-75.5	171.6	0	0	0	112.4	I237 L238 R243 S244 T245 E267 V268 P271 P463 V519 L520 Y523	I237-L241 HydrophobicContact CG2-CD1 3.93Å; I237-L241 HydrophobicContact CG2-CG 4.4Å; I237-L241 WeakPolarHBondContact O-CG 3.46Å; I237-L241 PolarHBondContact O-N 2.85Å; L238-L241 PolarHBondContact O-N 2.8Å; L241-R243 PolarHBondContact O-N 3.26Å; L241-S244 PolarHBondContact O-N 3.02Å; L241-T245 WeakPolarHBondContact O-CB 3.46Å; L241-T245 PolarHBondContact O-N 3.16Å; L241-T245 PolarHBondContact O-OG1 3.42Å; L241-E267 HydrophobicContact CD2-CB 4.49Å; L241-V268 HydrophobicContact CD2-CB 4.42Å; L241-P271 HydrophobicContact CD2-CG 3.72Å; L241-P271 HydrophobicContact CG-CG 3.81Å; L241-P463 HydrophobicContact CD1-CB 4.11Å; L241-P463 HydrophobicContact CD1-CG 3.68Å; L241-V519 HydrophobicContact CD1-CG2 4.48Å; L241-V519 HydrophobicContact CD2-CG1 4.01Å; L241-V519 HydrophobicContact CD2-CG2 4.42Å; L241-L520 HydrophobicContact CB-CD1 3.98Å; L241-Y523 HydrophobicContact CD1-CD1 3.71Å; L241-Y523 HydrophobicContact CD1-CE1 4.41Å; L241-Y523 HydrophobicContact CD1-CG 4.15Å
242	V	98.2	Very high	96.9	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-55	-53.5	173.1	167.6	0	0	0	0	109.4	L238 S244 T245 R246 L520 F538 E541 V542	L238-V242 WeakPolarHBondContact O-CG2 3.38Å; L238-V242 PolarHBondContact O-N 2.66Å; V242-S244 VanDerWaalsContact C-N 3.34Å; V242-S244 PolarHBondContact O-N 3.2Å; V242-T245 PolarHBondContact O-N 3.49Å; V242-R246 HydrophobicContact CG1-CG 3.99Å; V242-R246 WeakPolarHBondContact O-CB 3.2Å; V242-R246 WeakPolarHBondContact O-CG 3.49Å; V242-R246 PolarHBondContact O-N 2.69Å; V242-L520 HydrophobicContact CG2-CD1 3.77Å; V242-L520 HydrophobicContact CG2-CD2 4.4Å; V242-F538 HydrophobicContact CG2-CD2 4.38Å; V242-F538 HydrophobicContact CG2-CE2 3.98Å; V242-E541 HydrophobicContact CG1-CG 4.37Å; V242-V542 HydrophobicContact CG1-CB 4.45Å; V242-V542 HydrophobicContact CG1-CG2 3.96Å; V242-V542 HydrophobicContact CG2-CG2 4.17Å
243	R	97.8	Very high	97	Very high	53 Å²	53	34.8 Å²	34.8	20%	0.2	17%	0.168	C	C	.	.	H	α-helix	trans	-58.6	-45.3	179.6	-64.8	-177.9	-175.5	-128.7	2.8	112.5	A239 R240 L241 F247 N303 R306 Y545	A239-R243 WeakPolarHBondContact O-CG 3.48Å; A239-R243 PolarHBondContact O-N 2.68Å; R240-R243 PolarHBondContact O-N 3.38Å; L241-R243 PolarHBondContact O-N 3.26Å; R243-F247 WeakPolarHBondContact O-CB 3.16Å; R243-F247 PolarHBondContact O-N 2.84Å; R243-F247 VanDerWaalsContact O-N 3.11Å; R243-N303 PolarHBondContact O-ND2 2.87Å; R243-R306 VanDerWaalsContact NH1-CZ 3.32Å; R243-Y545 HydrophobicContact CB-CD2 4.09Å; R243-Y545 HydrophobicContact CB-CE1 4.35Å; R243-Y545 HydrophobicContact CB-CE2 3.84Å; R243-Y545 HydrophobicContact CB-CG 4.4Å; R243-Y545 HydrophobicContact CG-CD2 3.52Å; R243-Y545 HydrophobicContact CG-CE2 3.69Å; R243-Y545 HydrophobicContact CG-CG 3.97Å; R243-Y545 VanDerWaalsContact O-CE1 3.23Å; R243-Y545 WeakPolarHBondContact O-CE1 3.35Å
244	S	97.9	Very high	97	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-60.4	-51.2	179.6	-171.8	0	0	0	0	112	R240 L241 V242 E267 I270 N299	R240-S244 PolarHBondContact O-N 3.4Å; L241-S244 PolarHBondContact O-N 3.02Å; V242-S244 VanDerWaalsContact C-N 3.34Å; V242-S244 PolarHBondContact O-N 3.2Å; S244-E267 WeakPolarHBondContact CB-O 3.48Å; S244-E267 WeakPolarHBondContact OG-CA 3.46Å; S244-E267 PolarHBondContact OG-O 2.73Å; S244-I270 VanDerWaalsContact OG-CG1 3.26Å; S244-I270 WeakPolarHBondContact OG-CG1 3.31Å; S244-N299 PolarHBondContact O-ND2 2.85Å
245	T	97.7	Very high	96.8	Very high	19 Å²	19	33.5 Å²	33.5	12%	0.117	16%	0.16	C	C	.	.	H	α-helix	trans	-71.7	-43.8	-174.1	-47	0	0	0	0	111.8	L241 V242 F247 E248 A249 E267 L520	L241-T245 WeakPolarHBondContact O-CB 3.46Å; L241-T245 PolarHBondContact O-N 3.16Å; L241-T245 PolarHBondContact O-OG1 3.42Å; V242-T245 PolarHBondContact O-N 3.49Å; T245-F247 VanDerWaalsContact C-N 3.32Å; T245-F247 PolarHBondContact O-N 3.14Å; T245-E248 PolarHBondContact O-N 2.65Å; T245-A249 PolarHBondContact O-N 2.96Å; T245-A249 VanDerWaalsContact O-N 3.09Å; T245-E267 HydrophobicContact CG2-CG 4.49Å; T245-L520 HydrophobicContact CG2-CB 4.28Å; T245-L520 HydrophobicContact CG2-CD2 4.02Å
246	R	97.8	Very high	96.5	Very high	80 Å²	80	33.2 Å²	33.2	30%	0.302	17%	0.173	S	C	.	.	H	α-helix	trans	-69.5	-30.4	-178.8	-64.6	-51.8	-61	175	-8.6	112.4	V242 A249 F250 V542 Y545 D546	V242-R246 HydrophobicContact CG1-CG 3.99Å; V242-R246 WeakPolarHBondContact O-CB 3.2Å; V242-R246 WeakPolarHBondContact O-CG 3.49Å; V242-R246 PolarHBondContact O-N 2.69Å; R246-A249 PolarHBondContact O-N 3.04Å; R246-F250 VanDerWaalsContact O-CB 3.3Å; R246-F250 WeakPolarHBondContact O-CB 3.23Å; R246-F250 PolarHBondContact O-N 3.22Å; R246-V542 HydrophobicContact CG-CG1 4.18Å; R246-Y545 HydrophobicContact CB-CD1 3.68Å; R246-Y545 HydrophobicContact CB-CE1 4.16Å; R246-D546 IonicContact CZ-OD1 3.55Å; R246-D546 IonicContact CZ-OD2 3.6Å; R246-D546 IonicContact NE-OD1 3.02Å; R246-D546 PolarHBondContact NE-OD1 3.11Å; R246-D546 IonicContact NE-OD2 3Å; R246-D546 PolarHBondContact NE-OD2 3.37Å; R246-D546 IonicContact NH2-OD1 2.87Å; R246-D546 PolarHBondContact NH2-OD1 3.27Å; R246-D546 IonicContact NH2-OD2 3.81Å; R246-D546 PolarHBondContact NH2-OD2 3.47Å
247	F	97.9	Very high	96.1	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-61.2	-49.6	173.1	-176.8	-103.6	0	0	0	111.5	R243 T245 A249 F250 L251 L298 N299 A302 L309 V312 F313 Y545	R243-F247 WeakPolarHBondContact O-CB 3.16Å; R243-F247 PolarHBondContact O-N 2.84Å; R243-F247 VanDerWaalsContact O-N 3.11Å; T245-F247 VanDerWaalsContact C-N 3.32Å; T245-F247 PolarHBondContact O-N 3.14Å; F247-A249 PolarHBondContact O-N 3Å; F247-F250 WeakPolarHBondContact O-CB 3.4Å; F247-F250 PolarHBondContact O-N 3.32Å; F247-L251 HydrophobicContact CD1-CD1 4.1Å; F247-L251 HydrophobicContact CD1-CG 4.43Å; F247-L251 HydrophobicContact CE1-CD1 3.51Å; F247-L251 HydrophobicContact CE1-CG 4.1Å; F247-L251 HydrophobicContact CZ-CD1 3.88Å; F247-L251 HydrophobicContact CZ-CD2 4.24Å; F247-L251 HydrophobicContact CZ-CG 4.19Å; F247-L251 WeakPolarHBondContact O-CG 3.31Å; F247-L251 PolarHBondContact O-N 2.73Å; F247-L298 HydrophobicContact CE1-CB 3.96Å; F247-L298 HydrophobicContact CZ-CB 4.24Å; F247-N299 HydrophobicContact CD1-CB 3.97Å; F247-N299 HydrophobicContact CE1-CB 4.23Å; F247-A302 HydrophobicContact CD2-CB 4.26Å; F247-A302 HydrophobicContact CE1-CB 4.38Å; F247-A302 HydrophobicContact CE2-CB 3.79Å; F247-A302 HydrophobicContact CZ-CB 3.84Å; F247-L309 HydrophobicContact CD2-CD2 4.4Å; F247-L309 HydrophobicContact CE2-CD2 3.85Å; F247-V312 HydrophobicContact CZ-CG1 4.41Å; F247-F313 AromaticContact CE2-CE1 3.84Å; F247-F313 HydrophobicContact CE2-CE1 3.84Å; F247-F313 HydrophobicContact CE2-CZ 4.24Å; F247-F313 HydrophobicContact CZ-CE1 4.42Å; F247-Y545 HydrophobicContact CB-CE1 3.95Å
248	E	96.9	Very high	95.8	Very high	3 Å²	3	37.3 Å²	37.3	1%	0.014	20%	0.199	C	C	.	.	H	α-helix	trans	-61.7	-44	176.9	-63.6	-58.6	162.8	0	0	111.8	T245 F250 L251 A252 R260 G262 L263 E264 N299	T245-E248 PolarHBondContact O-N 2.65Å; E248-F250 VanDerWaalsContact C-N 3.28Å; E248-F250 PolarHBondContact O-N 3.27Å; E248-L251 PolarHBondContact O-N 3.49Å; E248-A252 WeakPolarHBondContact O-CB 3.48Å; E248-A252 PolarHBondContact O-N 3.1Å; E248-R260 IonicContact OE2-NE 2.82Å; E248-G262 VanDerWaalsContact OE2-CA 3.26Å; E248-G262 WeakPolarHBondContact OE2-CA 3.37Å; E248-L263 VanDerWaalsContact CD-N 3.25Å; E248-L263 HydrophobicContact CG-CB 4.16Å; E248-L263 WeakPolarHBondContact OE1-CB 3.46Å; E248-L263 PolarHBondContact OE1-N 3.44Å; E248-L263 VanDerWaalsContact OE1-N 3.11Å; E248-E264 HydrophobicContact CB-CG 3.85Å; E248-E264 HydrophobicContact CG-CG 4.27Å; E248-N299 PolarHBondContact OE1-ND2 3.08Å
249	A	96.1	Very high	95.5	Very high	40 Å²	40	41.5 Å²	41.5	33%	0.331	22%	0.216	S	C	.	.	H	α-helix	trans	-61.1	-37.5	176.5	0	0	0	0	0	112.3	T245 R246 F247 K253	T245-A249 PolarHBondContact O-N 2.96Å; T245-A249 VanDerWaalsContact O-N 3.09Å; R246-A249 PolarHBondContact O-N 3.04Å; F247-A249 PolarHBondContact O-N 3Å; A249-K253 WeakPolarHBondContact O-CB 3.46Å; A249-K253 PolarHBondContact O-N 2.87Å
250	F	97.1	Very high	95.3	Very high	14 Å²	14	41.1 Å²	41.1	6%	0.061	21%	0.211	C	C	.	.	H	α-helix	trans	-66.2	-47	176.2	-172.8	-91.4	0	0	0	111.5	R246 F247 E248 A252 K253 K254 W255 F313 C549 E550 Y553	R246-F250 VanDerWaalsContact O-CB 3.3Å; R246-F250 WeakPolarHBondContact O-CB 3.23Å; R246-F250 PolarHBondContact O-N 3.22Å; F247-F250 WeakPolarHBondContact O-CB 3.4Å; F247-F250 PolarHBondContact O-N 3.32Å; E248-F250 VanDerWaalsContact C-N 3.28Å; E248-F250 PolarHBondContact O-N 3.27Å; F250-A252 VanDerWaalsContact C-N 3.35Å; F250-A252 PolarHBondContact O-N 2.77Å; F250-K253 PolarHBondContact O-N 3.35Å; F250-K254 HydrophobicContact CD1-CG 4.11Å; F250-K254 HydrophobicContact CE1-CG 3.74Å; F250-K254 HydrophobicContact CE2-CG 4.33Å; F250-K254 HydrophobicContact CZ-CD 4.29Å; F250-K254 VanDerWaalsContact CZ-CE 3.47Å; F250-K254 HydrophobicContact CZ-CG 3.87Å; F250-K254 WeakPolarHBondContact O-CG 3.25Å; F250-K254 PolarHBondContact O-N 3.41Å; F250-W255 HydrophobicContact CE1-CZ3 4.45Å; F250-F313 HydrophobicContact CD1-CE1 4.35Å; F250-F313 AromaticContact CD1-CZ 3.9Å; F250-F313 HydrophobicContact CD1-CZ 3.9Å; F250-F313 HydrophobicContact CE1-CE1 4.35Å; F250-F313 AromaticContact CE1-CE2 3.87Å; F250-F313 HydrophobicContact CE1-CE2 3.87Å; F250-F313 AromaticContact CE1-CZ 3.72Å; F250-F313 HydrophobicContact CE1-CZ 3.72Å; F250-C549 HydrophobicContact CB-CB 4.44Å; F250-C549 HydrophobicContact CD1-CB 3.91Å; F250-C549 HydrophobicContact CD2-CB 3.56Å; F250-C549 HydrophobicContact CE1-CB 3.96Å; F250-C549 HydrophobicContact CE2-CB 3.61Å; F250-C549 HydrophobicContact CG-CB 3.71Å; F250-C549 HydrophobicContact CZ-CB 3.81Å; F250-C549 WeakPolarHBondContact CZ-O 3.43Å; F250-E550 WeakPolarHBondContact CE2-OE2 3.31Å; F250-Y553 HydrophobicContact CZ-CG 4.17Å
251	L	96.1	Very high	95.2	Very high	1 Å²	1	42.1 Å²	42.1	1%	0.005	22%	0.216	C	C	.	.	H	α-helix	trans	-58.9	-46.7	175.4	-66.8	-173.4	0	0	0	111.3	F247 E248 K253 K254 W255 L298 F313 F316	F247-L251 HydrophobicContact CD1-CD1 4.1Å; F247-L251 HydrophobicContact CD1-CG 4.43Å; F247-L251 HydrophobicContact CE1-CD1 3.51Å; F247-L251 HydrophobicContact CE1-CG 4.1Å; F247-L251 HydrophobicContact CZ-CD1 3.88Å; F247-L251 HydrophobicContact CZ-CD2 4.24Å; F247-L251 HydrophobicContact CZ-CG 4.19Å; F247-L251 WeakPolarHBondContact O-CG 3.31Å; F247-L251 PolarHBondContact O-N 2.73Å; E248-L251 PolarHBondContact O-N 3.49Å; L251-K253 VanDerWaalsContact C-N 3.26Å; L251-K253 PolarHBondContact O-N 3.05Å; L251-K254 PolarHBondContact O-N 2.77Å; L251-W255 HydrophobicContact CD2-CE3 3.79Å; L251-W255 HydrophobicContact CD2-CZ3 3.57Å; L251-W255 PolarHBondContact O-N 2.7Å; L251-L298 HydrophobicContact CD1-CD1 4.22Å; L251-F313 HydrophobicContact CD2-CD1 4.13Å; L251-F313 HydrophobicContact CD2-CE1 3.76Å; L251-F316 HydrophobicContact CD1-CZ 4.16Å; L251-F316 HydrophobicContact CD2-CE2 4.07Å; L251-F316 HydrophobicContact CD2-CZ 3.9Å
252	A	94.5	Very high	94.9	Very high	32 Å²	32	42.3 Å²	42.3	26%	0.264	22%	0.218	S	C	.	.	H	α-helix	trans	-59	-37.3	178	0	0	0	0	0	112.7	E248 F250 S256	E248-A252 WeakPolarHBondContact O-CB 3.48Å; E248-A252 PolarHBondContact O-N 3.1Å; F250-A252 VanDerWaalsContact C-N 3.35Å; F250-A252 PolarHBondContact O-N 2.77Å; A252-S256 WeakPolarHBondContact O-CA 3.28Å; A252-S256 WeakPolarHBondContact O-CB 3.47Å; A252-S256 PolarHBondContact O-N 3.39Å
253	K	95.5	Very high	94.9	Very high	163 Å²	163	42.3 Å²	42.3	71%	0.709	22%	0.218	S	C	*	.	H	α-helix	trans	-72.5	-43.5	178.7	-178.9	-178.5	176.4	-175.1	0	112.5	A249 F250 L251	A249-K253 WeakPolarHBondContact O-CB 3.46Å; A249-K253 PolarHBondContact O-N 2.87Å; F250-K253 PolarHBondContact O-N 3.35Å; L251-K253 VanDerWaalsContact C-N 3.26Å; L251-K253 PolarHBondContact O-N 3.05Å
254	K	95.3	Very high	94.8	Very high	53 Å²	53	41.1 Å²	41.1	23%	0.23	21%	0.214	C	C	.	.	H	α-helix	trans	-83.8	-34.1	-174	-64.5	-68.7	-175.3	164.9	0	112.8	F250 L251 E550 Y553	F250-K254 HydrophobicContact CD1-CG 4.11Å; F250-K254 HydrophobicContact CE1-CG 3.74Å; F250-K254 HydrophobicContact CE2-CG 4.33Å; F250-K254 HydrophobicContact CZ-CD 4.29Å; F250-K254 VanDerWaalsContact CZ-CE 3.47Å; F250-K254 HydrophobicContact CZ-CG 3.87Å; F250-K254 WeakPolarHBondContact O-CG 3.25Å; F250-K254 PolarHBondContact O-N 3.41Å; L251-K254 PolarHBondContact O-N 2.77Å; K254-E550 VanDerWaalsContact CE-OE2 3.31Å; K254-E550 WeakPolarHBondContact CE-OE2 3.45Å; K254-E550 IonicContact NZ-OE1 3.44Å; K254-E550 PolarHBondContact NZ-OE1 2.99Å; K254-E550 IonicContact NZ-OE2 3.42Å; K254-E550 PolarHBondContact NZ-OE2 3.23Å; K254-Y553 HydrophobicContact CD-CD1 4.21Å; K254-Y553 HydrophobicContact CD-CE1 3.82Å; K254-Y553 HydrophobicContact CD-CE2 4.21Å; K254-Y553 HydrophobicContact CG-CE2 4.49Å; K254-Y553 VanDerWaalsContact NZ-CE1 3.31Å
255	W	93.7	Very high	94.8	Very high	37 Å²	37	41.1 Å²	41.1	14%	0.14	21%	0.214	C	C	.	.			trans	-132.4	62.2	-176.6	-58.5	-80.6	0	0	0	111.7	F250 L251 S257 E258 F313 F316 Y553	F250-W255 HydrophobicContact CE1-CZ3 4.45Å; L251-W255 HydrophobicContact CD2-CE3 3.79Å; L251-W255 HydrophobicContact CD2-CZ3 3.57Å; L251-W255 PolarHBondContact O-N 2.7Å; W255-S257 VanDerWaalsContact C-N 3.26Å; W255-S257 PolarHBondContact O-N 2.75Å; W255-E258 HydrophobicContact CB-CB 3.88Å; W255-E258 HydrophobicContact CB-CG 3.96Å; W255-E258 PolarHBondContact O-N 3.14Å; W255-F313 HydrophobicContact CH2-CB 3.67Å; W255-F313 AromaticContact CH2-CD1 3.63Å; W255-F313 HydrophobicContact CH2-CD1 3.63Å; W255-F313 HydrophobicContact CH2-CD2 4.36Å; W255-F313 HydrophobicContact CH2-CE1 4.37Å; W255-F313 AromaticContact CH2-CG 3.63Å; W255-F313 HydrophobicContact CH2-CG 3.63Å; W255-F313 HydrophobicContact CZ2-CB 4.2Å; W255-F313 AromaticContact CZ3-CD1 3.79Å; W255-F313 HydrophobicContact CZ3-CD1 3.79Å; W255-F313 HydrophobicContact CZ3-CE1 4.19Å; W255-F313 HydrophobicContact CZ3-CG 4.26Å; W255-F316 HydrophobicContact CB-CD1 3.78Å; W255-F316 HydrophobicContact CB-CE1 4.21Å; W255-F316 HydrophobicContact CD2-CB 3.77Å; W255-F316 AromaticContact CD2-CD1 3.66Å; W255-F316 HydrophobicContact CD2-CD1 3.66Å; W255-F316 HydrophobicContact CD2-CD2 4.43Å; W255-F316 HydrophobicContact CD2-CE1 4.31Å; W255-F316 AromaticContact CD2-CG 3.73Å; W255-F316 HydrophobicContact CD2-CG 3.73Å; W255-F316 AromaticContact CE2-CG 3.83Å; W255-F316 HydrophobicContact CE3-CD1 4.02Å; W255-F316 HydrophobicContact CE3-CD2 4.4Å; W255-F316 HydrophobicContact CE3-CE1 4.25Å; W255-F316 HydrophobicContact CE3-CG 4.09Å; W255-F316 HydrophobicContact CG-CB 3.94Å; W255-F316 AromaticContact CG-CD1 3.56Å; W255-F316 HydrophobicContact CG-CD1 3.56Å; W255-F316 HydrophobicContact CG-CE1 4.32Å; W255-F316 AromaticContact CG-CG 4Å; W255-F316 HydrophobicContact CG-CG 4Å; W255-F316 HydrophobicContact CZ2-CB 3.87Å; W255-F316 HydrophobicContact CZ2-CG 4.29Å; W255-F316 HydrophobicContact CZ3-CD2 4.49Å; W255-F316 VanDerWaalsContact NE1-CB 3.29Å; W255-Y553 AromaticContact CH2-CD2 3.8Å; W255-Y553 HydrophobicContact CH2-CD2 3.8Å; W255-Y553 HydrophobicContact CH2-CE2 4.04Å; W255-Y553 AromaticContact CZ2-CD2 3.94Å; W255-Y553 HydrophobicContact CZ2-CD2 3.94Å; W255-Y553 AromaticContact CZ2-CE2 3.75Å; W255-Y553 HydrophobicContact CZ2-CE2 3.75Å
256	S	90.8	Very high	94.8	Very high	89 Å²	89	40.3 Å²	40.3	62%	0.622	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-27	-176.2	56.7	0	0	0	0	114.7	A252	A252-S256 WeakPolarHBondContact O-CA 3.28Å; A252-S256 WeakPolarHBondContact O-CB 3.47Å; A252-S256 PolarHBondContact O-N 3.39Å
257	S	88.2	Confident	94.8	Very high	79 Å²	79	36.6 Å²	36.6	55%	0.552	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.3	-8.5	178.5	57.7	0	0	0	0	114.1	W255	W255-S257 VanDerWaalsContact C-N 3.26Å; W255-S257 PolarHBondContact O-N 2.75Å
258	E	90.4	Very high	94.9	Very high	70 Å²	70	36.6 Å²	36.6	33%	0.327	20%	0.196	S	C	.	.	S	Bend	trans	-89	132.2	-177.5	-77	-67.4	130.1	0	0	110.9	W255 R260 F316 K331	W255-E258 HydrophobicContact CB-CB 3.88Å; W255-E258 HydrophobicContact CB-CG 3.96Å; W255-E258 PolarHBondContact O-N 3.14Å; E258-R260 PolarHBondContact O-N 3.12Å; E258-F316 HydrophobicContact CB-CD1 4.02Å; E258-F316 HydrophobicContact CB-CE1 4.23Å; E258-F316 HydrophobicContact CG-CD1 4.11Å; E258-K331 IonicContact OE2-NZ 3.64Å; E258-K331 PolarHBondContact OE2-NZ 3.02Å
259	K	91.8	Very high	94.9	Very high	97 Å²	97	36.4 Å²	36.4	42%	0.422	20%	0.195	S	C	.	.			trans	-66.3	128.3	170.9	-62.6	-175.4	-179.8	179.7	0	108.8	Y332 N497	K259-Y332 VanDerWaalsContact O-CE2 3.25Å; K259-Y332 WeakPolarHBondContact O-CE2 3.42Å; K259-Y332 PolarHBondContact O-OH 3.14Å; K259-N497 HydrophobicContact CB-CB 4.26Å; K259-N497 HydrophobicContact CD-CB 3.86Å; K259-N497 WeakPolarHBondContact CE-OD1 3.4Å; K259-N497 HydrophobicContact CG-CB 3.89Å
260	R	91.8	Very high	95	Very high	13 Å²	13	34.6 Å²	34.6	5%	0.049	18%	0.179	C	C	.	.			trans	-127.5	-14.6	178.3	69.7	175.7	-178.4	-71.4	-7.8	118.7	E248 E258 G262 E264 Y332 E498	E248-R260 IonicContact OE2-NE 2.82Å; E258-R260 PolarHBondContact O-N 3.12Å; R260-G262 PolarHBondContact O-N 3.35Å; R260-E264 IonicContact CZ-OE1 3.81Å; R260-E264 IonicContact NE-OE1 2.74Å; R260-E264 IonicContact NH2-OE1 3.55Å; R260-E264 PolarHBondContact NH2-OE1 2.65Å; R260-Y332 WeakPolarHBondContact CA-OH 3.26Å; R260-Y332 HydrophobicContact CB-CE1 4.32Å; R260-Y332 WeakPolarHBondContact CB-OH 3.47Å; R260-Y332 WeakPolarHBondContact O-CE1 3.15Å; R260-Y332 PolarHBondContact O-OH 2.71Å; R260-E498 VanDerWaalsContact CG-CD 3.41Å; R260-E498 HydrophobicContact CG-CG 4.22Å; R260-E498 VanDerWaalsContact CG-OE1 3.26Å; R260-E498 WeakPolarHBondContact CG-OE1 3.27Å; R260-E498 PolarHBondContact N-OE2 3.33Å
261	F	94.9	Very high	95.1	Very high	41 Å²	41	33.9 Å²	33.9	18%	0.18	18%	0.177	C	C	.	.			trans	50.8	46.3	-177.7	-49.7	-80.1	0	0	0	111.9	H294 R295 G296 Y332 H496 N497 E498	F261-H294 HydrophobicContact CB-CB 4.09Å; F261-H294 AromaticContact CD1-CD2 3.49Å; F261-H294 VanDerWaalsContact CD1-CD2 3.49Å; F261-H294 WeakPolarHBondContact CD1-CD2 3.41Å; F261-H294 AromaticContact CD1-NE2 3.95Å; F261-H294 HydrophobicContact CD2-CB 3.86Å; F261-H294 HydrophobicContact CE2-CB 4.42Å; F261-H294 HydrophobicContact CG-CB 3.93Å; F261-H294 AromaticContact CG-CD2 3.53Å; F261-H294 AromaticContact CG-CG 3.86Å; F261-R295 WeakPolarHBondContact O-CA 3.43Å; F261-G296 PolarHBondContact O-N 2.82Å; F261-Y332 HydrophobicContact CD2-CD1 4.41Å; F261-Y332 AromaticContact CD2-CD2 3.67Å; F261-Y332 HydrophobicContact CD2-CD2 3.67Å; F261-Y332 AromaticContact CD2-CE2 4Å; F261-Y332 HydrophobicContact CD2-CE2 4Å; F261-Y332 AromaticContact CD2-CG 3.96Å; F261-Y332 HydrophobicContact CD2-CG 3.96Å; F261-Y332 AromaticContact CE2-CD2 3.96Å; F261-Y332 HydrophobicContact CE2-CD2 3.96Å; F261-Y332 HydrophobicContact CE2-CE2 4.41Å; F261-H496 WeakPolarHBondContact CD1-O 3.49Å; F261-H496 AromaticContact CE1-NE2 3.9Å; F261-N497 HydrophobicContact CE1-CB 4.31Å; F261-E498 WeakPolarHBondContact CA-OE1 3.39Å; F261-E498 PolarHBondContact N-OE1 3.06Å; F261-E498 PolarHBondContact N-OE2 3.02Å
262	G	93.4	Very high	95.2	Very high	5 Å²	5	33.9 Å²	33.9	5%	0.052	18%	0.177	C	C	.	.			trans	-62	165.1	-171.4	0	0	0	0	0	113.3	E248 R260 E264 R295 E498	E248-G262 VanDerWaalsContact OE2-CA 3.26Å; E248-G262 WeakPolarHBondContact OE2-CA 3.37Å; R260-G262 PolarHBondContact O-N 3.35Å; G262-E264 VanDerWaalsContact C-N 3.33Å; G262-E264 WeakPolarHBondContact CA-OE2 3.22Å; G262-R295 WeakPolarHBondContact O-CD 3.38Å; G262-R295 PolarHBondContact O-NE 3.37Å; G262-E498 PolarHBondContact N-OE1 3.43Å
263	L	97.1	Very high	95.4	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	16%	0.164	C	C	.	.			trans	-87.8	5	-175.6	-167	56.8	0	0	0	113.5	E248 G265 C266 E267 L269 I270 N299	E248-L263 VanDerWaalsContact CD-N 3.25Å; E248-L263 HydrophobicContact CG-CB 4.16Å; E248-L263 WeakPolarHBondContact OE1-CB 3.46Å; E248-L263 PolarHBondContact OE1-N 3.44Å; E248-L263 VanDerWaalsContact OE1-N 3.11Å; L263-G265 PolarHBondContact O-N 3.18Å; L263-G265 VanDerWaalsContact O-N 3.17Å; L263-C266 HydrophobicContact CD1-CB 3.98Å; L263-C266 WeakPolarHBondContact CD1-O 3.21Å; L263-C266 WeakPolarHBondContact CG-O 3.38Å; L263-C266 CarbonylContact O-C 3.57Å; L263-C266 PolarHBondContact O-N 2.97Å; L263-E267 PolarHBondContact O-N 3.26Å; L263-L269 HydrophobicContact CD1-CB 4.1Å; L263-L269 HydrophobicContact CD1-CD2 3.71Å; L263-L269 HydrophobicContact CD2-CB 4.08Å; L263-L269 HydrophobicContact CD2-CD2 4.24Å; L263-I270 HydrophobicContact CD2-CD1 4.16Å; L263-I270 HydrophobicContact CD2-CG1 3.78Å; L263-N299 HydrophobicContact CD2-CB 4.23Å
264	E	97.1	Very high	95.5	Very high	27 Å²	27	26 Å²	26	13%	0.126	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	119.4	-174.8	-58.8	100.4	126.8	0	0	112.4	E248 R260 G262 E267 R493	E248-E264 HydrophobicContact CB-CG 3.85Å; E248-E264 HydrophobicContact CG-CG 4.27Å; R260-E264 IonicContact CZ-OE1 3.81Å; R260-E264 IonicContact NE-OE1 2.74Å; R260-E264 IonicContact NH2-OE1 3.55Å; R260-E264 PolarHBondContact NH2-OE1 2.65Å; G262-E264 VanDerWaalsContact C-N 3.33Å; G262-E264 WeakPolarHBondContact CA-OE2 3.22Å; E264-E267 WeakPolarHBondContact CA-OE1 3.38Å; E264-R493 HydrophobicContact CB-CB 3.68Å; E264-R493 HydrophobicContact CB-CG 4.49Å; E264-R493 WeakPolarHBondContact O-CB 3.45Å; E264-R493 PolarHBondContact O-N 3.48Å
265	G	96.9	Very high	95.6	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	101.7	-4.5	-171.8	0	0	0	0	0	114.9	L263 E267 C490 Y491	L263-G265 PolarHBondContact O-N 3.18Å; L263-G265 VanDerWaalsContact O-N 3.17Å; G265-E267 WeakPolarHBondContact CA-OE2 3.41Å; G265-E267 VanDerWaalsContact N-CD 3.34Å; G265-E267 PolarHBondContact N-OE1 3.42Å; G265-E267 PolarHBondContact N-OE2 3.44Å; G265-C490 WeakPolarHBondContact O-CB 3.43Å; G265-Y491 CarbonylContact C-O 3.3Å; G265-Y491 VanDerWaalsContact CA-CE2 3.41Å; G265-Y491 WeakPolarHBondContact CA-O 3.17Å; G265-Y491 PolarHBondContact O-N 2.89Å
266	C	98.1	Very high	95.8	Very high	2 Å²	2	22.3 Å²	22.3	1%	0.014	12%	0.123	C	C	.	.			trans	-143.7	34.2	172.7	-166.9	0	0	0	0	112.2	L263 V268 L269 V425 C490	L263-C266 HydrophobicContact CD1-CB 3.98Å; L263-C266 WeakPolarHBondContact CD1-O 3.21Å; L263-C266 WeakPolarHBondContact CG-O 3.38Å; L263-C266 CarbonylContact O-C 3.57Å; L263-C266 PolarHBondContact O-N 2.97Å; C266-V268 PolarHBondContact O-N 3.1Å; C266-L269 WeakPolarHBondContact O-CB 3.41Å; C266-L269 PolarHBondContact O-N 2.81Å; C266-V425 HydrophobicContact CB-CG1 4.03Å; C266-C490 HydrophobicContact CB-CB 3.76Å; C266-C490 VanDerWaalsContact CB-SG 3.53Å
267	E	98.3	Very high	96.1	Very high	2 Å²	2	18.4 Å²	18.4	1%	0.009	10%	0.095	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-19.4	-176.4	-62.2	90.9	153.4	0	0	112.9	L241 S244 T245 L263 E264 G265 L269 I270 P271 V519	L241-E267 HydrophobicContact CD2-CB 4.49Å; S244-E267 WeakPolarHBondContact CB-O 3.48Å; S244-E267 WeakPolarHBondContact OG-CA 3.46Å; S244-E267 PolarHBondContact OG-O 2.73Å; T245-E267 HydrophobicContact CG2-CG 4.49Å; L263-E267 PolarHBondContact O-N 3.26Å; E264-E267 WeakPolarHBondContact CA-OE1 3.38Å; G265-E267 WeakPolarHBondContact CA-OE2 3.41Å; G265-E267 VanDerWaalsContact N-CD 3.34Å; G265-E267 PolarHBondContact N-OE1 3.42Å; G265-E267 PolarHBondContact N-OE2 3.44Å; E267-L269 PolarHBondContact O-N 3.46Å; E267-I270 PolarHBondContact O-N 2.9Å; E267-P271 VanDerWaalsContact O-CD 3.29Å; E267-P271 WeakPolarHBondContact O-CD 3.44Å; E267-V519 HydrophobicContact CB-CG1 3.94Å
268	V	98.3	Very high	96.5	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	7%	0.074	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-18.7	174.2	79.5	0	0	0	0	113.8	L241 C266 I270 P271 A272 A460 P463 V466 M467 L488	L241-V268 HydrophobicContact CD2-CB 4.42Å; C266-V268 PolarHBondContact O-N 3.1Å; V268-I270 PolarHBondContact O-N 3.21Å; V268-P271 WeakPolarHBondContact O-CD 3.39Å; V268-A272 WeakPolarHBondContact O-CB 3.49Å; V268-A272 PolarHBondContact O-N 3.34Å; V268-A460 HydrophobicContact CG1-CB 3.77Å; V268-A460 WeakPolarHBondContact CG1-O 3.28Å; V268-P463 HydrophobicContact CG2-CB 4.2Å; V268-P463 HydrophobicContact CG2-CG 4.43Å; V268-V466 HydrophobicContact CG1-CG1 4.37Å; V268-V466 HydrophobicContact CG1-CG2 4.32Å; V268-V466 HydrophobicContact CG2-CB 3.9Å; V268-V466 HydrophobicContact CG2-CG1 3.87Å; V268-V466 HydrophobicContact CG2-CG2 4.04Å; V268-M467 HydrophobicContact CG2-CE 4.35Å; V268-L488 HydrophobicContact CG1-CD1 4.43Å
269	L	98.5	Very high	96.9	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-53.5	-39.9	175.9	174.6	65.4	0	0	0	111.5	L263 C266 E267 A272 M273 V300 I423 V425 L488	L263-L269 HydrophobicContact CD1-CB 4.1Å; L263-L269 HydrophobicContact CD1-CD2 3.71Å; L263-L269 HydrophobicContact CD2-CB 4.08Å; L263-L269 HydrophobicContact CD2-CD2 4.24Å; C266-L269 WeakPolarHBondContact O-CB 3.41Å; C266-L269 PolarHBondContact O-N 2.81Å; E267-L269 PolarHBondContact O-N 3.46Å; L269-A272 PolarHBondContact O-N 2.8Å; L269-M273 HydrophobicContact CD1-CG 3.98Å; L269-M273 HydrophobicContact CD1-SD 4.26Å; L269-M273 HydrophobicContact CG-CG 4.38Å; L269-M273 HydrophobicContact CG-SD 4.3Å; L269-M273 WeakPolarHBondContact O-CB 3.27Å; L269-M273 WeakPolarHBondContact O-CG 3.41Å; L269-M273 PolarHBondContact O-N 2.88Å; L269-V300 HydrophobicContact CD2-CG2 4.29Å; L269-I423 HydrophobicContact CD1-CD1 4.45Å; L269-I423 HydrophobicContact CD1-CG2 3.73Å; L269-V425 HydrophobicContact CD1-CG2 4.34Å; L269-V425 HydrophobicContact CD2-CG2 3.98Å; L269-L488 HydrophobicContact CB-CD1 4.42Å; L269-L488 HydrophobicContact CD1-CD1 4.11Å
270	I	98.4	Very high	97.2	Very high	1 Å²	1	8.9 Å²	8.9	1%	0.005	5%	0.048	C	C	.	.	H	α-helix	trans	-67.3	-52.4	-179.2	-58.2	-61.4	0	0	0	111.6	S244 L263 E267 V268 A272 K274 N299 V300 N303 V304	S244-I270 VanDerWaalsContact OG-CG1 3.26Å; S244-I270 WeakPolarHBondContact OG-CG1 3.31Å; L263-I270 HydrophobicContact CD2-CD1 4.16Å; L263-I270 HydrophobicContact CD2-CG1 3.78Å; E267-I270 PolarHBondContact O-N 2.9Å; V268-I270 PolarHBondContact O-N 3.21Å; I270-A272 VanDerWaalsContact C-N 3.28Å; I270-A272 PolarHBondContact O-N 3.28Å; I270-K274 HydrophobicContact CG2-CD 4.32Å; I270-K274 VanDerWaalsContact O-CG 3.29Å; I270-K274 WeakPolarHBondContact O-CG 3.47Å; I270-K274 PolarHBondContact O-N 3.47Å; I270-K274 VanDerWaalsContact O-N 3.12Å; I270-N299 HydrophobicContact CD1-CB 4.04Å; I270-N299 WeakPolarHBondContact CD1-OD1 2.93Å; I270-N299 HydrophobicContact CG1-CB 4.48Å; I270-N299 WeakPolarHBondContact CG1-OD1 3.32Å; I270-V300 HydrophobicContact CD1-CB 4.46Å; I270-V300 HydrophobicContact CD1-CG2 3.81Å; I270-N303 HydrophobicContact CG2-CB 3.78Å; I270-V304 HydrophobicContact CD1-CG2 3.87Å; I270-V304 HydrophobicContact CG2-CG2 4.21Å
271	P	98.1	Very high	97.4	Very high	0 Å²	0	8.3 Å²	8.3	0%	0	5%	0.045	C	C	.	.	H	α-helix	trans	-50.3	-45.5	167.3	-25.7	27.8	0	0	0	113.8	R240 L241 E267 V268 K274 A275 M467	R240-P271 HydrophobicContact CB-CB 4.17Å; R240-P271 HydrophobicContact CB-CG 3.78Å; L241-P271 HydrophobicContact CD2-CG 3.72Å; L241-P271 HydrophobicContact CG-CG 3.81Å; E267-P271 VanDerWaalsContact O-CD 3.29Å; E267-P271 WeakPolarHBondContact O-CD 3.44Å; V268-P271 WeakPolarHBondContact O-CD 3.39Å; P271-K274 PolarHBondContact O-N 3.31Å; P271-A275 WeakPolarHBondContact O-CB 3.34Å; P271-A275 PolarHBondContact O-N 3.34Å; P271-M467 HydrophobicContact CB-CE 3.72Å; P271-M467 HydrophobicContact CB-SD 3.79Å
272	A	98.4	Very high	97.5	Very high	1 Å²	1	9.4 Å²	9.4	1%	0.008	6%	0.062	C	C	.	.	H	α-helix	trans	-64.1	-50	-175.2	0	0	0	0	0	111.8	V268 L269 I270 K274 A275 V276 V466 M467	V268-A272 WeakPolarHBondContact O-CB 3.49Å; V268-A272 PolarHBondContact O-N 3.34Å; L269-A272 PolarHBondContact O-N 2.8Å; I270-A272 VanDerWaalsContact C-N 3.28Å; I270-A272 PolarHBondContact O-N 3.28Å; A272-K274 VanDerWaalsContact C-N 3.29Å; A272-K274 PolarHBondContact O-N 3.49Å; A272-A275 PolarHBondContact O-N 2.96Å; A272-A275 VanDerWaalsContact O-N 3.16Å; A272-V276 WeakPolarHBondContact O-CG2 3.5Å; A272-V276 PolarHBondContact O-N 3.3Å; A272-V466 HydrophobicContact CB-CG1 3.66Å; A272-M467 HydrophobicContact CB-CE 4.01Å
273	M	98.2	Very high	97.7	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-58.8	-41.9	175.6	-74.6	-171.6	76.9	0	0	112	L269 V276 I277 I290 V300 V304 I391 I423	L269-M273 HydrophobicContact CD1-CG 3.98Å; L269-M273 HydrophobicContact CD1-SD 4.26Å; L269-M273 HydrophobicContact CG-CG 4.38Å; L269-M273 HydrophobicContact CG-SD 4.3Å; L269-M273 WeakPolarHBondContact O-CB 3.27Å; L269-M273 WeakPolarHBondContact O-CG 3.41Å; L269-M273 PolarHBondContact O-N 2.88Å; M273-V276 PolarHBondContact O-N 2.99Å; M273-I277 VanDerWaalsContact O-CG1 3.31Å; M273-I277 WeakPolarHBondContact O-CG1 3.37Å; M273-I277 PolarHBondContact O-N 2.88Å; M273-I290 HydrophobicContact CE-CD1 3.98Å; M273-I290 HydrophobicContact CE-CG2 4.31Å; M273-V300 HydrophobicContact CE-CG1 3.73Å; M273-V300 HydrophobicContact SD-CB 4.34Å; M273-V300 HydrophobicContact SD-CG1 3.82Å; M273-V300 HydrophobicContact SD-CG2 3.55Å; M273-V300 VanDerWaalsContact SD-CG2 3.55Å; M273-V304 HydrophobicContact CB-CG1 4.36Å; M273-V304 HydrophobicContact CB-CG2 3.97Å; M273-V304 HydrophobicContact CE-CG1 4.25Å; M273-V304 HydrophobicContact SD-CG2 4.04Å; M273-I391 HydrophobicContact CE-CD1 3.58Å; M273-I391 HydrophobicContact CG-CD1 4.41Å; M273-I391 HydrophobicContact SD-CD1 3.46Å; M273-I391 WeakPolarHBondContact SD-CD1 3.45Å; M273-I423 HydrophobicContact CG-CD1 3.91Å
274	K	97.5	Very high	97.6	Very high	29 Å²	29	14.3 Å²	14.3	13%	0.126	9%	0.093	C	C	.	.	H	α-helix	trans	-66	-41	177.5	-67.3	179.6	70.7	68.1	0	111.2	R240 I270 P271 A272 V276 I277 D278 V304	R240-K274 HydrophobicContact CG-CD 3.99Å; I270-K274 HydrophobicContact CG2-CD 4.32Å; I270-K274 VanDerWaalsContact O-CG 3.29Å; I270-K274 WeakPolarHBondContact O-CG 3.47Å; I270-K274 PolarHBondContact O-N 3.47Å; I270-K274 VanDerWaalsContact O-N 3.12Å; P271-K274 PolarHBondContact O-N 3.31Å; A272-K274 VanDerWaalsContact C-N 3.29Å; A272-K274 PolarHBondContact O-N 3.49Å; K274-V276 VanDerWaalsContact C-N 3.34Å; K274-V276 PolarHBondContact O-N 2.95Å; K274-I277 PolarHBondContact O-N 3.22Å; K274-D278 VanDerWaalsContact O-CB 3.31Å; K274-D278 WeakPolarHBondContact O-CB 3.43Å; K274-D278 PolarHBondContact O-N 3.08Å; K274-V304 HydrophobicContact CG-CG2 4.3Å
275	A	97.4	Very high	97.6	Very high	12 Å²	12	13.3 Å²	13.3	10%	0.099	9%	0.088	C	C	.	.	H	α-helix	trans	-61.3	-40.9	175.3	0	0	0	0	0	112.4	P271 A272 S279 M467 A470	P271-A275 WeakPolarHBondContact O-CB 3.34Å; P271-A275 PolarHBondContact O-N 3.34Å; A272-A275 PolarHBondContact O-N 2.96Å; A272-A275 VanDerWaalsContact O-N 3.16Å; A275-S279 VanDerWaalsContact O-CB 3.26Å; A275-S279 WeakPolarHBondContact O-CB 3.42Å; A275-S279 PolarHBondContact O-N 3.22Å; A275-S279 PolarHBondContact O-OG 3.35Å; A275-M467 HydrophobicContact CB-SD 3.74Å; A275-A470 HydrophobicContact CB-CB 3.93Å
276	V	98.2	Very high	97.6	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-59.4	-50.7	172.2	168.7	0	0	0	0	111.1	A272 M273 K274 S280 I389 I421 A470 I486	A272-V276 WeakPolarHBondContact O-CG2 3.5Å; A272-V276 PolarHBondContact O-N 3.3Å; M273-V276 PolarHBondContact O-N 2.99Å; K274-V276 VanDerWaalsContact C-N 3.34Å; K274-V276 PolarHBondContact O-N 2.95Å; V276-S280 WeakPolarHBondContact O-CB 3.41Å; V276-S280 PolarHBondContact O-N 3.03Å; V276-S280 PolarHBondContact O-OG 3.02Å; V276-I389 HydrophobicContact CG1-CD1 3.87Å; V276-I389 HydrophobicContact CG1-CG1 4.45Å; V276-I421 HydrophobicContact CG1-CD1 3.43Å; V276-I421 VanDerWaalsContact CG1-CD1 3.43Å; V276-I421 HydrophobicContact CG1-CG2 4.35Å; V276-I421 HydrophobicContact CG2-CD1 4.48Å; V276-I421 HydrophobicContact CG2-CG2 4.35Å; V276-A470 HydrophobicContact CG2-CB 3.92Å; V276-I486 HydrophobicContact CG2-CD1 4.35Å
277	I	97.7	Very high	97.6	Very high	7 Å²	7	17 Å²	17	4%	0.036	11%	0.106	C	C	.	.	H	α-helix	trans	-63.8	-44.5	-178.4	-71.3	164.7	0	0	0	111.2	M273 K274 S281 F288 V304 I349 L351 I389	M273-I277 VanDerWaalsContact O-CG1 3.31Å; M273-I277 WeakPolarHBondContact O-CG1 3.37Å; M273-I277 PolarHBondContact O-N 2.88Å; K274-I277 PolarHBondContact O-N 3.22Å; I277-S281 WeakPolarHBondContact O-CB 3.42Å; I277-S281 PolarHBondContact O-N 2.96Å; I277-F288 HydrophobicContact CB-CE1 4.24Å; I277-F288 HydrophobicContact CB-CZ 4.23Å; I277-F288 HydrophobicContact CG1-CD1 3.99Å; I277-F288 HydrophobicContact CG1-CE1 3.97Å; I277-F288 HydrophobicContact CG1-CG 4.35Å; I277-F288 HydrophobicContact CG1-CZ 4.35Å; I277-F288 HydrophobicContact CG2-CD2 4.45Å; I277-F288 HydrophobicContact CG2-CE1 4.39Å; I277-F288 HydrophobicContact CG2-CE2 3.96Å; I277-F288 HydrophobicContact CG2-CZ 3.92Å; I277-F288 WeakPolarHBondContact O-CZ 3.26Å; I277-V304 HydrophobicContact CD1-CG1 3.43Å; I277-V304 VanDerWaalsContact CD1-CG1 3.43Å; I277-I349 HydrophobicContact CG2-CD1 3.6Å; I277-L351 HydrophobicContact CD1-CD2 4.18Å; I277-I389 HydrophobicContact CG1-CD1 4Å
278	D	97.1	Very high	97.5	Very high	19 Å²	19	17 Å²	17	10%	0.102	11%	0.105	C	C	.	.	H	α-helix	trans	-64.2	-48.1	-179.3	-62.3	-27.2	0	0	0	110.8	R240 K274 S281 A282 N342 M344 T345	R240-D278 IonicContact CZ-OD2 3.89Å; R240-D278 VanDerWaalsContact CZ-OD2 3.27Å; R240-D278 IonicContact NH1-OD2 3.61Å; R240-D278 PolarHBondContact NH1-OD2 2.96Å; R240-D278 IonicContact NH2-OD2 2.76Å; R240-D278 PolarHBondContact NH2-OD2 3.45Å; K274-D278 VanDerWaalsContact O-CB 3.31Å; K274-D278 WeakPolarHBondContact O-CB 3.43Å; K274-D278 PolarHBondContact O-N 3.08Å; D278-S281 PolarHBondContact O-N 3.12Å; D278-A282 PolarHBondContact O-N 3.37Å; D278-N342 PolarHBondContact OD1-ND2 3.31Å; D278-N342 PolarHBondContact OD1-OD1 3.18Å; D278-M344 HydrophobicContact CB-CB 4.22Å; D278-M344 HydrophobicContact CB-CG 4.3Å; D278-M344 WeakPolarHBondContact OD2-CG 3.5Å; D278-T345 WeakPolarHBondContact O-CG2 3.43Å
279	S	97.3	Very high	97.5	Very high	25 Å²	25	17 Å²	17	18%	0.175	11%	0.105	C	C	.	.	H	α-helix	trans	-65	-44.8	179.4	-55.1	0	0	0	0	111.3	A275 S281 A282 L283	A275-S279 VanDerWaalsContact O-CB 3.26Å; A275-S279 WeakPolarHBondContact O-CB 3.42Å; A275-S279 PolarHBondContact O-N 3.22Å; A275-S279 PolarHBondContact O-OG 3.35Å; S279-S281 PolarHBondContact O-N 3.13Å; S279-A282 WeakPolarHBondContact O-CB 3.36Å; S279-A282 PolarHBondContact O-N 2.75Å; S279-L283 VanDerWaalsContact O-CG 3.27Å; S279-L283 WeakPolarHBondContact O-CG 3.41Å; S279-L283 PolarHBondContact O-N 3.14Å
280	S	97.9	Very high	97.5	Very high	3 Å²	3	17 Å²	17	2%	0.021	11%	0.105	C	C	.	.	H	α-helix	trans	-67	-37.6	178.7	-54.8	0	0	0	0	112.1	V276 L283 G284 V285 M387 A474	V276-S280 WeakPolarHBondContact O-CB 3.41Å; V276-S280 PolarHBondContact O-N 3.03Å; V276-S280 PolarHBondContact O-OG 3.02Å; S280-L283 CarbonylContact O-C 3.6Å; S280-L283 PolarHBondContact O-N 2.89Å; S280-G284 PolarHBondContact O-N 3.4Å; S280-G284 VanDerWaalsContact O-N 3.07Å; S280-V285 WeakPolarHBondContact O-CB 3.3Å; S280-V285 PolarHBondContact O-N 3.08Å; S280-M387 VanDerWaalsContact CB-SD 3.58Å; S280-A474 WeakPolarHBondContact OG-CB 3.37Å
281	S	97.3	Very high	97.5	Very high	0 Å²	0	17 Å²	17	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-64.9	-39.1	174.9	179.5	0	0	0	0	111.7	I277 D278 S279 L283 G284 V285 T345 K347 I349	I277-S281 WeakPolarHBondContact O-CB 3.42Å; I277-S281 PolarHBondContact O-N 2.96Å; D278-S281 PolarHBondContact O-N 3.12Å; S279-S281 PolarHBondContact O-N 3.13Å; S281-L283 VanDerWaalsContact C-N 3.28Å; S281-L283 PolarHBondContact O-N 3.29Å; S281-G284 PolarHBondContact O-N 2.93Å; S281-V285 WeakPolarHBondContact CA-O 3.14Å; S281-T345 PolarHBondContact OG-OG1 3.46Å; S281-K347 PolarHBondContact O-NZ 3.22Å; S281-I349 WeakPolarHBondContact OG-CG2 3.33Å
282	A	97	Very high	97.5	Very high	65 Å²	65	17 Å²	17	54%	0.537	11%	0.105	S	C	.	.	H	α-helix	trans	-60.9	-40.7	172.8	0	0	0	0	0	111	D278 S279 G284 T345 K347	D278-A282 PolarHBondContact O-N 3.37Å; S279-A282 WeakPolarHBondContact O-CB 3.36Å; S279-A282 PolarHBondContact O-N 2.75Å; A282-G284 VanDerWaalsContact C-N 3.27Å; A282-G284 PolarHBondContact O-N 3.3Å; A282-T345 HydrophobicContact CB-CG2 4.01Å; A282-K347 PolarHBondContact O-NZ 2.94Å
283	L	96.7	Very high	97.5	Very high	84 Å²	84	17.4 Å²	17.4	44%	0.44	11%	0.108	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-3.4	177.9	-64.5	168.2	0	0	0	114.9	S279 S280 S281 E475	S279-L283 VanDerWaalsContact O-CG 3.27Å; S279-L283 WeakPolarHBondContact O-CG 3.41Å; S279-L283 PolarHBondContact O-N 3.14Å; S280-L283 CarbonylContact O-C 3.6Å; S280-L283 PolarHBondContact O-N 2.89Å; S281-L283 VanDerWaalsContact C-N 3.28Å; S281-L283 PolarHBondContact O-N 3.29Å; L283-E475 HydrophobicContact CD1-CG 4.18Å
284	G	95.6	Very high	97.4	Very high	24 Å²	24	19 Å²	19	25%	0.247	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	116.2	-0.5	170.8	0	0	0	0	0	116.1	S280 S281 A282 K384	S280-G284 PolarHBondContact O-N 3.4Å; S280-G284 VanDerWaalsContact O-N 3.07Å; S281-G284 PolarHBondContact O-N 2.93Å; A282-G284 VanDerWaalsContact C-N 3.27Å; A282-G284 PolarHBondContact O-N 3.3Å; G284-K384 CarbonylContact C-O 3.55Å
285	V	97.6	Very high	97.3	Very high	6 Å²	6	18.3 Å²	18.3	4%	0.036	11%	0.112	C	C	.	.			trans	-72.2	130.2	176.3	-179.9	0	0	0	0	110.7	S280 S281 S287 F288 K384 M387	S280-V285 WeakPolarHBondContact O-CB 3.3Å; S280-V285 PolarHBondContact O-N 3.08Å; S281-V285 WeakPolarHBondContact CA-O 3.14Å; V285-S287 WeakPolarHBondContact CG1-O 3.38Å; V285-F288 HydrophobicContact CB-CE1 4.36Å; V285-F288 HydrophobicContact CB-CE2 4.44Å; V285-F288 HydrophobicContact CB-CZ 3.93Å; V285-F288 HydrophobicContact CG1-CD1 4.19Å; V285-F288 HydrophobicContact CG1-CD2 4.25Å; V285-F288 HydrophobicContact CG1-CE1 3.75Å; V285-F288 HydrophobicContact CG1-CE2 3.78Å; V285-F288 HydrophobicContact CG1-CG 4.43Å; V285-F288 HydrophobicContact CG1-CZ 3.52Å; V285-K384 WeakPolarHBondContact CA-O 3.36Å; V285-K384 WeakPolarHBondContact CG2-O 3.28Å; V285-K384 PolarHBondContact N-O 3.47Å; V285-M387 HydrophobicContact CB-SD 4.28Å; V285-M387 HydrophobicContact CG1-CB 4.27Å; V285-M387 HydrophobicContact CG1-CG 3.74Å; V285-M387 HydrophobicContact CG1-SD 3.84Å; V285-M387 HydrophobicContact CG2-CG 4.49Å; V285-M387 HydrophobicContact CG2-SD 3.88Å
286	E	96.4	Very high	97.3	Very high	80 Å²	80	17.8 Å²	17.8	37%	0.374	11%	0.108	S	C	.	.			trans	-112.1	-23.4	-178.7	-63.8	170.1	-173.4	0	0	112.2	I349 N350 R378 K385	E286-I349 CarbonylContact O-C 3.48Å; E286-I349 VanDerWaalsContact O-CA 3.23Å; E286-I349 WeakPolarHBondContact O-CA 3.4Å; E286-N350 PolarHBondContact O-N 3.45Å; E286-R378 IonicContact OE2-NH1 2.87Å; E286-K385 PolarHBondContact N-O 2.89Å
287	S	97.1	Very high	97.2	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	136.2	179.9	-169.6	0	0	0	0	112.2	V285 N350 E374 K385 V386 M387	V285-S287 WeakPolarHBondContact CG1-O 3.38Å; S287-N350 WeakPolarHBondContact CA-O 3.49Å; S287-N350 PolarHBondContact OG-ND2 2.93Å; S287-N350 VanDerWaalsContact OG-ND2 3.12Å; S287-E374 WeakPolarHBondContact CB-OE1 3.36Å; S287-E374 PolarHBondContact OG-OE1 3.46Å; S287-E374 PolarHBondContact OG-OE2 2.97Å; S287-K385 PolarHBondContact N-O 3.27Å; S287-V386 WeakPolarHBondContact O-CA 3.46Å; S287-M387 PolarHBondContact O-N 3.38Å
288	F	97.9	Very high	97.2	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	119.6	178.4	-56.1	-101.2	0	0	0	110.1	I277 V285 I349 N350 L351 A352 M387 I389	I277-F288 HydrophobicContact CB-CE1 4.24Å; I277-F288 HydrophobicContact CB-CZ 4.23Å; I277-F288 HydrophobicContact CG1-CD1 3.99Å; I277-F288 HydrophobicContact CG1-CE1 3.97Å; I277-F288 HydrophobicContact CG1-CG 4.35Å; I277-F288 HydrophobicContact CG1-CZ 4.35Å; I277-F288 HydrophobicContact CG2-CD2 4.45Å; I277-F288 HydrophobicContact CG2-CE1 4.39Å; I277-F288 HydrophobicContact CG2-CE2 3.96Å; I277-F288 HydrophobicContact CG2-CZ 3.92Å; I277-F288 WeakPolarHBondContact O-CZ 3.26Å; V285-F288 HydrophobicContact CB-CE1 4.36Å; V285-F288 HydrophobicContact CB-CE2 4.44Å; V285-F288 HydrophobicContact CB-CZ 3.93Å; V285-F288 HydrophobicContact CG1-CD1 4.19Å; V285-F288 HydrophobicContact CG1-CD2 4.25Å; V285-F288 HydrophobicContact CG1-CE1 3.75Å; V285-F288 HydrophobicContact CG1-CE2 3.78Å; V285-F288 HydrophobicContact CG1-CG 4.43Å; V285-F288 HydrophobicContact CG1-CZ 3.52Å; F288-I349 HydrophobicContact CE2-CB 4.27Å; F288-I349 HydrophobicContact CE2-CD1 4.38Å; F288-I349 HydrophobicContact CE2-CG2 4.17Å; F288-N350 PolarHBondContact N-O 3.08Å; F288-L351 HydrophobicContact CB-CD2 3.73Å; F288-L351 HydrophobicContact CD2-CD2 3.73Å; F288-L351 HydrophobicContact CG-CD2 3.97Å; F288-A352 PolarHBondContact O-N 2.89Å; F288-M387 WeakPolarHBondContact CA-O 3.35Å; F288-M387 HydrophobicContact CD1-CG 3.53Å; F288-M387 HydrophobicContact CD1-SD 3.62Å; F288-M387 HydrophobicContact CE1-CG 3.86Å; F288-M387 HydrophobicContact CE1-SD 3.34Å; F288-M387 WeakPolarHBondContact CE1-SD 3.27Å; F288-M387 HydrophobicContact CG-CG 4.35Å; F288-M387 HydrophobicContact CZ-SD 4.36Å; F288-I389 HydrophobicContact CD1-CD1 3.89Å; F288-I389 HydrophobicContact CD1-CG1 4.46Å
289	V	98	Very high	97.2	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	124.2	173.3	-176.5	0	0	0	0	109.1	A352 A367 K370 T371 M387 S388 I389	V289-A352 CarbonylContact C-O 3.54Å; V289-A352 WeakPolarHBondContact CA-O 3.43Å; V289-A367 HydrophobicContact CG1-CB 4.15Å; V289-K370 HydrophobicContact CG1-CB 4.25Å; V289-K370 HydrophobicContact CG1-CD 3.98Å; V289-K370 HydrophobicContact CG1-CG 4Å; V289-K370 HydrophobicContact CG2-CG 4.25Å; V289-T371 WeakPolarHBondContact CB-OG1 3.32Å; V289-M387 PolarHBondContact N-O 2.98Å; V289-S388 CarbonylContact O-C 3.56Å; V289-S388 WeakPolarHBondContact O-CA 3.48Å; V289-I389 PolarHBondContact O-N 3.46Å
290	I	98.5	Very high	97.2	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	123.8	-170.4	-51.1	-178.9	0	0	0	110	M273 I292 A352 V353 C354 I389 I391	M273-I290 HydrophobicContact CE-CD1 3.98Å; M273-I290 HydrophobicContact CE-CG2 4.31Å; I290-I292 HydrophobicContact CG2-CB 4.37Å; I290-I292 HydrophobicContact CG2-CG2 4.25Å; I290-A352 PolarHBondContact N-O 3.06Å; I290-V353 HydrophobicContact CB-CG2 4.18Å; I290-V353 HydrophobicContact CD1-CG2 4.29Å; I290-V353 WeakPolarHBondContact O-CA 3.38Å; I290-C354 PolarHBondContact O-N 2.99Å; I290-I389 VanDerWaalsContact CA-O 3.29Å; I290-I389 WeakPolarHBondContact CA-O 3.28Å; I290-I389 HydrophobicContact CG1-CB 4.48Å; I290-I391 HydrophobicContact CG2-CD1 4.41Å
291	G	98.3	Very high	97.1	Very high	1 Å²	1	15.5 Å²	15.5	1%	0.01	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	124.7	164.8	0	0	0	0	0	109.2	I389 L390 I391	G291-I389 PolarHBondContact N-O 2.63Å; G291-L390 CarbonylContact O-C 3.5Å; G291-L390 WeakPolarHBondContact O-CA 2.99Å; G291-I391 PolarHBondContact O-N 3Å
292	I	98.1	Very high	97.1	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	10%	0.095	C	C	.	.			trans	-145.8	139.7	-175.8	179.8	178.2	0	0	0	110.4	I290 R297 V300 V353 N356 I391	I290-I292 HydrophobicContact CG2-CB 4.37Å; I290-I292 HydrophobicContact CG2-CG2 4.25Å; I292-R297 HydrophobicContact CD1-CB 4.35Å; I292-R297 HydrophobicContact CG2-CG 4.09Å; I292-R297 PolarHBondContact O-NH1 3.3Å; I292-V300 HydrophobicContact CD1-CB 3.99Å; I292-V300 HydrophobicContact CD1-CG1 4.29Å; I292-V300 HydrophobicContact CD1-CG2 3.62Å; I292-V353 HydrophobicContact CG2-CG1 3.85Å; I292-N356 PolarHBondContact O-OD1 2.95Å; I292-N356 VanDerWaalsContact O-OD1 3.11Å; I292-I391 HydrophobicContact CB-CB 3.98Å; I292-I391 HydrophobicContact CB-CD1 4.07Å; I292-I391 HydrophobicContact CB-CG1 4.49Å; I292-I391 HydrophobicContact CD1-CB 4.41Å; I292-I391 HydrophobicContact CD1-CD1 3.62Å; I292-I391 HydrophobicContact CD1-CG2 4.32Å; I292-I391 HydrophobicContact CG1-CB 3.81Å; I292-I391 HydrophobicContact CG1-CD1 3.9Å; I292-I391 HydrophobicContact CG1-CG1 4.44Å; I292-I391 HydrophobicContact CG1-CG2 3.89Å
293	P	97.2	Very high	97	Very high	11 Å²	11	12.7 Å²	12.7	7%	0.071	7%	0.07	C	C	.	.			trans	-73.5	-157.5	173.5	32.8	-40.1	0	0	0	111.1	R297 L360 I391	P293-R297 WeakPolarHBondContact O-CB 3.37Å; P293-L360 HydrophobicContact CB-CD2 3.92Å; P293-I391 WeakPolarHBondContact CD-O 3.34Å
294	H	96.4	Very high	97	Very high	34 Å²	34	8.8 Å²	8.8	16%	0.157	5%	0.05	C	C	.	.	S	Bend	trans	-73.4	-32.2	179.4	52.3	-102.2	0	0	0	113.8	F261 G296 R297 Y332 H496	F261-H294 HydrophobicContact CB-CB 4.09Å; F261-H294 AromaticContact CD1-CD2 3.49Å; F261-H294 VanDerWaalsContact CD1-CD2 3.49Å; F261-H294 WeakPolarHBondContact CD1-CD2 3.41Å; F261-H294 AromaticContact CD1-NE2 3.95Å; F261-H294 HydrophobicContact CD2-CB 3.86Å; F261-H294 HydrophobicContact CE2-CB 4.42Å; F261-H294 HydrophobicContact CG-CB 3.93Å; F261-H294 AromaticContact CG-CD2 3.53Å; F261-H294 AromaticContact CG-CG 3.86Å; H294-G296 PolarHBondContact O-N 3.31Å; H294-G296 VanDerWaalsContact O-N 3.17Å; H294-R297 WeakPolarHBondContact O-CB 3.39Å; H294-R297 PolarHBondContact O-N 3.46Å; H294-R297 VanDerWaalsContact O-N 3.11Å; H294-Y332 HydrophobicContact CB-CG 4.43Å; H294-H496 AromaticContact NE2-CE1 3.85Å
295	R	96.8	Very high	96.9	Very high	13 Å²	13	7.7 Å²	7.7	5%	0.049	4%	0.038	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65	114.2	-167.4	-179.3	55.4	137.8	-80.8	-19.9	111.7	F261 G262 R297 V425 N427 R492	F261-R295 WeakPolarHBondContact O-CA 3.43Å; G262-R295 WeakPolarHBondContact O-CD 3.38Å; G262-R295 PolarHBondContact O-NE 3.37Å; R295-R297 PolarHBondContact O-N 3.27Å; R295-V425 HydrophobicContact CG-CG1 3.98Å; R295-N427 VanDerWaalsContact NH2-CB 3.28Å; R295-N427 PolarHBondContact NH2-ND2 2.72Å; R295-N427 PolarHBondContact NH2-OD1 3.32Å; R295-R492 VanDerWaalsContact CZ-CD 3.47Å; R295-R492 VanDerWaalsContact NH1-CD 3.3Å; R295-R492 VanDerWaalsContact NH2-CD 3.27Å
296	G	96.1	Very high	96.8	Very high	2 Å²	2	11.3 Å²	11.3	2%	0.021	5%	0.051	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.1	13.6	-178.3	0	0	0	0	0	114.8	F261 H294 L298 N299 V300	F261-G296 PolarHBondContact O-N 2.82Å; H294-G296 PolarHBondContact O-N 3.31Å; H294-G296 VanDerWaalsContact O-N 3.17Å; G296-L298 PolarHBondContact O-N 3.22Å; G296-N299 VanDerWaalsContact O-CB 3.27Å; G296-N299 WeakPolarHBondContact O-CB 3.37Å; G296-N299 PolarHBondContact O-N 3.23Å; G296-N299 VanDerWaalsContact O-N 3.09Å; G296-V300 PolarHBondContact O-N 3.17Å
297	R	97.5	Very high	96.7	Very high	0 Å²	0	8.3 Å²	8.3	0%	0	4%	0.037	C	C	.	.	H	α-helix	trans	-60	-45.4	-174	-175	-175.9	-178.6	97.7	-8.1	113	I292 P293 H294 R295 N299 V300 L301 Y332 H333 L334 C354 N356	I292-R297 HydrophobicContact CD1-CB 4.35Å; I292-R297 HydrophobicContact CG2-CG 4.09Å; I292-R297 PolarHBondContact O-NH1 3.3Å; P293-R297 WeakPolarHBondContact O-CB 3.37Å; H294-R297 WeakPolarHBondContact O-CB 3.39Å; H294-R297 PolarHBondContact O-N 3.46Å; H294-R297 VanDerWaalsContact O-N 3.11Å; R295-R297 PolarHBondContact O-N 3.27Å; R297-N299 PolarHBondContact O-N 3.28Å; R297-V300 PolarHBondContact O-N 2.7Å; R297-V300 VanDerWaalsContact O-N 3.15Å; R297-L301 HydrophobicContact CG-CD1 4.13Å; R297-L301 HydrophobicContact CG-CG 4.43Å; R297-L301 WeakPolarHBondContact O-CG 3.25Å; R297-L301 PolarHBondContact O-N 2.78Å; R297-Y332 HydrophobicContact CB-CD1 4.46Å; R297-Y332 VanDerWaalsContact CD-C 3.42Å; R297-Y332 WeakPolarHBondContact CD-O 3.31Å; R297-Y332 PolarHBondContact NE-O 3.28Å; R297-H333 PolarHBondContact NH2-O 3.2Å; R297-L334 PolarHBondContact NE-O 3.11Å; R297-L334 PolarHBondContact NH2-O 3.17Å; R297-C354 PolarHBondContact NH2-O 2.91Å; R297-N356 PolarHBondContact NH1-OD1 3.27Å; R297-N356 PolarHBondContact NH2-OD1 3.01Å
298	L	96.8	Very high	96.5	Very high	5 Å²	5	11.3 Å²	11.3	3%	0.026	6%	0.056	C	C	.	.	H	α-helix	trans	-61.7	-35.3	178.5	-65.1	-176.5	0	0	0	111.6	F247 L251 G296 L301 A302 V312 F316 K331 Y332	F247-L298 HydrophobicContact CE1-CB 3.96Å; F247-L298 HydrophobicContact CZ-CB 4.24Å; L251-L298 HydrophobicContact CD1-CD1 4.22Å; G296-L298 PolarHBondContact O-N 3.22Å; L298-L301 HydrophobicContact CD2-CD1 4.15Å; L298-L301 PolarHBondContact O-N 2.89Å; L298-A302 VanDerWaalsContact O-CB 3.25Å; L298-A302 WeakPolarHBondContact O-CB 3.49Å; L298-A302 PolarHBondContact O-N 3.45Å; L298-V312 HydrophobicContact CD1-CG1 4.5Å; L298-V312 HydrophobicContact CD2-CG1 4.13Å; L298-F316 HydrophobicContact CD1-CE2 3.71Å; L298-F316 HydrophobicContact CD1-CZ 3.53Å; L298-K331 HydrophobicContact CD1-CD 4.34Å; L298-K331 HydrophobicContact CD1-CG 4.5Å; L298-K331 HydrophobicContact CD2-CB 4.44Å; L298-Y332 HydrophobicContact CB-CE1 4.31Å; L298-Y332 HydrophobicContact CD1-CD1 4.24Å; L298-Y332 HydrophobicContact CD1-CE1 3.25Å; L298-Y332 VanDerWaalsContact CD1-CZ 3.48Å; L298-Y332 WeakPolarHBondContact CD1-OH 3.33Å; L298-Y332 HydrophobicContact CD2-CD1 4.39Å; L298-Y332 HydrophobicContact CD2-CE1 4.16Å; L298-Y332 HydrophobicContact CG-CD1 3.82Å; L298-Y332 HydrophobicContact CG-CE1 3.26Å
299	N	97.2	Very high	96.4	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-66	-42.4	176.4	-152.4	-36.9	0	0	0	111.2	S244 F247 E248 L263 I270 G296 R297 A302 N303	S244-N299 PolarHBondContact O-ND2 2.85Å; F247-N299 HydrophobicContact CD1-CB 3.97Å; F247-N299 HydrophobicContact CE1-CB 4.23Å; E248-N299 PolarHBondContact OE1-ND2 3.08Å; L263-N299 HydrophobicContact CD2-CB 4.23Å; I270-N299 HydrophobicContact CD1-CB 4.04Å; I270-N299 WeakPolarHBondContact CD1-OD1 2.93Å; I270-N299 HydrophobicContact CG1-CB 4.48Å; I270-N299 WeakPolarHBondContact CG1-OD1 3.32Å; G296-N299 VanDerWaalsContact O-CB 3.27Å; G296-N299 WeakPolarHBondContact O-CB 3.37Å; G296-N299 PolarHBondContact O-N 3.23Å; G296-N299 VanDerWaalsContact O-N 3.09Å; R297-N299 PolarHBondContact O-N 3.28Å; N299-A302 PolarHBondContact O-N 2.74Å; N299-N303 WeakPolarHBondContact O-CB 3.24Å; N299-N303 PolarHBondContact O-N 2.88Å; N299-N303 PolarHBondContact OD1-ND2 3.01Å
300	V	97.5	Very high	96.2	Very high	1 Å²	1	13 Å²	13	1%	0.006	7%	0.065	C	C	.	.	I	π-helix	trans	-60.9	-48.9	173.2	173.2	0	0	0	0	111	L269 I270 M273 I292 G296 R297 A302 V304 C305	L269-V300 HydrophobicContact CD2-CG2 4.29Å; I270-V300 HydrophobicContact CD1-CB 4.46Å; I270-V300 HydrophobicContact CD1-CG2 3.81Å; M273-V300 HydrophobicContact CE-CG1 3.73Å; M273-V300 HydrophobicContact SD-CB 4.34Å; M273-V300 HydrophobicContact SD-CG1 3.82Å; M273-V300 HydrophobicContact SD-CG2 3.55Å; M273-V300 VanDerWaalsContact SD-CG2 3.55Å; I292-V300 HydrophobicContact CD1-CB 3.99Å; I292-V300 HydrophobicContact CD1-CG1 4.29Å; I292-V300 HydrophobicContact CD1-CG2 3.62Å; G296-V300 PolarHBondContact O-N 3.17Å; R297-V300 PolarHBondContact O-N 2.7Å; R297-V300 VanDerWaalsContact O-N 3.15Å; V300-A302 VanDerWaalsContact C-N 3.33Å; V300-A302 PolarHBondContact O-N 3.16Å; V300-V304 HydrophobicContact CG1-CB 4.11Å; V300-V304 HydrophobicContact CG1-CG2 4.24Å; V300-V304 WeakPolarHBondContact O-CA 3.36Å; V300-V304 VanDerWaalsContact O-CB 3.25Å; V300-V304 WeakPolarHBondContact O-CB 3.32Å; V300-V304 PolarHBondContact O-N 3.36Å; V300-C305 PolarHBondContact O-N 2.9Å
301	L	96.1	Very high	95.9	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	8%	0.075	C	C	.	.	I	π-helix	trans	-56.3	-46.8	176.9	-69.2	169	0	0	0	111.7	R297 L298 C305 R306 K307 M336 V353 W567	R297-L301 HydrophobicContact CG-CD1 4.13Å; R297-L301 HydrophobicContact CG-CG 4.43Å; R297-L301 WeakPolarHBondContact O-CG 3.25Å; R297-L301 PolarHBondContact O-N 2.78Å; L298-L301 HydrophobicContact CD2-CD1 4.15Å; L298-L301 PolarHBondContact O-N 2.89Å; L301-C305 WeakPolarHBondContact O-CB 3.29Å; L301-R306 PolarHBondContact O-N 3.49Å; L301-K307 HydrophobicContact CB-CB 4.29Å; L301-K307 PolarHBondContact O-N 2.94Å; L301-M336 HydrophobicContact CD2-CG 3.44Å; L301-M336 VanDerWaalsContact CD2-CG 3.44Å; L301-M336 HydrophobicContact CD2-SD 3.57Å; L301-M336 VanDerWaalsContact CD2-SD 3.57Å; L301-V353 HydrophobicContact CD2-CB 4.23Å; L301-V353 HydrophobicContact CD2-CG1 4.37Å; L301-V353 HydrophobicContact CD2-CG2 4.02Å; L301-W567 HydrophobicContact CD1-CZ3 4.28Å
302	A	96	Very high	95.7	Very high	2 Å²	2	14.7 Å²	14.7	2%	0.017	7%	0.074	C	C	.	.	I	π-helix	trans	-71.6	-49.2	-178.3	0	0	0	0	0	113.6	F247 L298 N299 V300 R306 L309	F247-A302 HydrophobicContact CD2-CB 4.26Å; F247-A302 HydrophobicContact CE1-CB 4.38Å; F247-A302 HydrophobicContact CE2-CB 3.79Å; F247-A302 HydrophobicContact CZ-CB 3.84Å; L298-A302 VanDerWaalsContact O-CB 3.25Å; L298-A302 WeakPolarHBondContact O-CB 3.49Å; L298-A302 PolarHBondContact O-N 3.45Å; N299-A302 PolarHBondContact O-N 2.74Å; V300-A302 VanDerWaalsContact C-N 3.33Å; V300-A302 PolarHBondContact O-N 3.16Å; A302-R306 WeakPolarHBondContact O-CA 3.32Å; A302-L309 HydrophobicContact CB-CD2 3.57Å
303	N	96	Very high	95.6	Very high	3 Å²	3	14.8 Å²	14.8	2%	0.016	8%	0.075	C	C	.	.	I	π-helix	trans	-104.5	-25.6	-164.4	-71.6	-48	0	0	0	114.5	R243 I270 N299 Y545	R243-N303 PolarHBondContact O-ND2 2.87Å; I270-N303 HydrophobicContact CG2-CB 3.78Å; N299-N303 WeakPolarHBondContact O-CB 3.24Å; N299-N303 PolarHBondContact O-N 2.88Å; N299-N303 PolarHBondContact OD1-ND2 3.01Å; N303-Y545 PolarHBondContact ND2-OH 3.11Å; N303-Y545 PolarHBondContact OD1-OH 3.14Å
304	V	95.8	Very high	95.4	Very high	3 Å²	3	14.7 Å²	14.7	2%	0.018	7%	0.074	C	C	.	.	I	π-helix	trans	-90.1	-60.6	171.1	-177.6	0	0	0	0	108.7	I270 M273 K274 I277 V300 R340	I270-V304 HydrophobicContact CD1-CG2 3.87Å; I270-V304 HydrophobicContact CG2-CG2 4.21Å; M273-V304 HydrophobicContact CB-CG1 4.36Å; M273-V304 HydrophobicContact CB-CG2 3.97Å; M273-V304 HydrophobicContact CE-CG1 4.25Å; M273-V304 HydrophobicContact SD-CG2 4.04Å; K274-V304 HydrophobicContact CG-CG2 4.3Å; I277-V304 HydrophobicContact CD1-CG1 3.43Å; I277-V304 VanDerWaalsContact CD1-CG1 3.43Å; V300-V304 HydrophobicContact CG1-CB 4.11Å; V300-V304 HydrophobicContact CG1-CG2 4.24Å; V300-V304 WeakPolarHBondContact O-CA 3.36Å; V300-V304 VanDerWaalsContact O-CB 3.25Å; V300-V304 WeakPolarHBondContact O-CB 3.32Å; V300-V304 PolarHBondContact O-N 3.36Å; V304-R340 PolarHBondContact O-NH1 3.43Å
305	C	94.6	Very high	95.2	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	8%	0.077	C	C	.	.	I	π-helix	trans	-78.4	-32.9	-170.6	-48.7	0	0	0	0	113.4	V300 L301 M336 H338 R340 L351 V353	V300-C305 PolarHBondContact O-N 2.9Å; L301-C305 WeakPolarHBondContact O-CB 3.29Å; C305-M336 HydrophobicContact CB-CE 3.23Å; C305-M336 HydrophobicContact CB-SD 3.53Å; C305-M336 VanDerWaalsContact CB-SD 3.53Å; C305-H338 PolarHBondContact O-CE1 3.03Å; C305-H338 PolarHBondContact O-NE2 3.34Å; C305-R340 PolarHBondContact O-NH1 3.28Å; C305-L351 HydrophobicContact CB-CD1 4.35Å; C305-V353 VanDerWaalsContact SG-CG2 3.6Å
306	R	93.9	Very high	95	Very high	82 Å²	82	15.4 Å²	15.4	31%	0.309	8%	0.078	S	C	.	.			trans	70.9	42.4	-174	-60.4	-80.2	-165.4	-131.1	-6.2	113.5	R243 L301 A302 R340	R243-R306 VanDerWaalsContact NH1-CZ 3.32Å; L301-R306 PolarHBondContact O-N 3.49Å; A302-R306 WeakPolarHBondContact O-CA 3.32Å; R306-R340 VanDerWaalsContact CG-CZ 3.48Å
307	K	94.3	Very high	94.6	Very high	18 Å²	18	18.5 Å²	18.5	8%	0.078	9%	0.094	C	C	.	.			trans	-54	134.7	158.6	-173.3	69.7	-175.1	159	0	108.3	L301 L309 D311 V312 M336 A566 W567	L301-K307 HydrophobicContact CB-CB 4.29Å; L301-K307 PolarHBondContact O-N 2.94Å; K307-L309 PolarHBondContact O-N 3.27Å; K307-D311 VanDerWaalsContact CE-OD2 3.24Å; K307-D311 WeakPolarHBondContact CE-OD2 3.39Å; K307-D311 IonicContact NZ-OD2 3.79Å; K307-D311 PolarHBondContact NZ-OD2 3.22Å; K307-V312 HydrophobicContact CB-CG2 4.17Å; K307-V312 HydrophobicContact CG-CG2 3.8Å; K307-M336 HydrophobicContact CB-SD 4.01Å; K307-M336 HydrophobicContact CD-CB 4.47Å; K307-M336 HydrophobicContact CD-SD 4.38Å; K307-A566 PolarHBondContact NZ-O 2.86Å; K307-W567 HydrophobicContact CD-CE3 4.39Å; K307-W567 HydrophobicContact CD-CH2 4.32Å; K307-W567 HydrophobicContact CD-CZ3 3.99Å; K307-W567 HydrophobicContact CG-CH2 4Å; K307-W567 HydrophobicContact CG-CZ3 3.89Å
308	P	94	Very high	94	Very high	62 Å²	62	24.3 Å²	24.3	40%	0.403	13%	0.134	S	C	.	.			trans	-51.7	130.2	175.2	-27.9	36.3	0	0	0	110.8	D310 D311 V312	P308-D310 VanDerWaalsContact C-N 3.26Å; P308-D310 VanDerWaalsContact CB-OD1 3.27Å; P308-D310 WeakPolarHBondContact CB-OD1 3.32Å; P308-D310 PolarHBondContact O-N 3.33Å; P308-D311 HydrophobicContact CB-CB 4.37Å; P308-D311 WeakPolarHBondContact O-CB 3.25Å; P308-D311 PolarHBondContact O-N 2.75Å; P308-V312 PolarHBondContact O-N 3.42Å
309	L	95.5	Very high	93.5	Very high	22 Å²	22	32.4 Å²	32.4	12%	0.115	17%	0.169	C	C	.	.	H	α-helix	trans	-65.5	-32.5	-174.5	-72.9	-177.3	0	0	0	111.8	F247 A302 K307 V312 F313 I548 A552	F247-L309 HydrophobicContact CD2-CD2 4.4Å; F247-L309 HydrophobicContact CE2-CD2 3.85Å; A302-L309 HydrophobicContact CB-CD2 3.57Å; K307-L309 PolarHBondContact O-N 3.27Å; L309-V312 PolarHBondContact O-N 3.41Å; L309-F313 HydrophobicContact CB-CD2 4.44Å; L309-F313 HydrophobicContact CB-CE2 4.03Å; L309-F313 HydrophobicContact CB-CZ 4.27Å; L309-F313 WeakPolarHBondContact O-CB 3.37Å; L309-F313 VanDerWaalsContact O-CD2 3.31Å; L309-F313 WeakPolarHBondContact O-CD2 3.37Å; L309-F313 WeakPolarHBondContact O-CG 3.36Å; L309-F313 PolarHBondContact O-N 3.39Å; L309-I548 HydrophobicContact CD1-CG2 3.78Å; L309-A552 HydrophobicContact CB-CB 3.39Å; L309-A552 HydrophobicContact CD1-CB 4.09Å; L309-A552 HydrophobicContact CG-CB 4.38Å
310	D	94	Very high	93	Very high	14 Å²	14	33.7 Å²	33.7	8%	0.075	18%	0.176	C	C	.	.	H	α-helix	trans	-65.1	-40.5	176.2	60.4	-52.7	0	0	0	111.9	P308 V312 F313 C314 L555 A556 R559	P308-D310 VanDerWaalsContact C-N 3.26Å; P308-D310 VanDerWaalsContact CB-OD1 3.27Å; P308-D310 WeakPolarHBondContact CB-OD1 3.32Å; P308-D310 PolarHBondContact O-N 3.33Å; D310-V312 VanDerWaalsContact C-N 3.31Å; D310-V312 PolarHBondContact O-N 3.29Å; D310-F313 PolarHBondContact O-N 2.89Å; D310-C314 WeakPolarHBondContact O-CB 3.23Å; D310-C314 PolarHBondContact O-N 3.48Å; D310-C314 PolarHBondContact O-SG 3.22Å; D310-L555 HydrophobicContact CB-CB 4.07Å; D310-L555 HydrophobicContact CB-CD2 3.88Å; D310-L555 HydrophobicContact CB-CG 3.89Å; D310-L555 WeakPolarHBondContact OD2-CD2 3.34Å; D310-A556 HydrophobicContact CB-CB 4.24Å; D310-R559 IonicContact OD2-CZ 3.86Å; D310-R559 IonicContact OD2-NE 3.26Å; D310-R559 PolarHBondContact OD2-NE 3.29Å; D310-R559 IonicContact OD2-NH2 3.42Å; D310-R559 PolarHBondContact OD2-NH2 3.29Å
311	D	92.6	Very high	92.5	Very high	36 Å²	36	41.1 Å²	41.1	19%	0.193	21%	0.211	C	C	.	.	H	α-helix	trans	-58.5	-44.4	171.8	-76.3	-3.9	0	0	0	111.1	K307 P308 W567	K307-D311 VanDerWaalsContact CE-OD2 3.24Å; K307-D311 WeakPolarHBondContact CE-OD2 3.39Å; K307-D311 IonicContact NZ-OD2 3.79Å; K307-D311 PolarHBondContact NZ-OD2 3.22Å; P308-D311 HydrophobicContact CB-CB 4.37Å; P308-D311 WeakPolarHBondContact O-CB 3.25Å; P308-D311 PolarHBondContact O-N 2.75Å; D311-W567 HydrophobicContact CB-CZ2 4.27Å
312	V	94.1	Very high	91.9	Very high	1 Å²	1	43.1 Å²	43.1	1%	0.006	23%	0.227	C	C	.	.	H	α-helix	trans	-64.1	-46.2	178.7	175.4	0	0	0	0	111	F247 L298 K307 P308 L309 D310 C314 Q315 W567	F247-V312 HydrophobicContact CZ-CG1 4.41Å; L298-V312 HydrophobicContact CD1-CG1 4.5Å; L298-V312 HydrophobicContact CD2-CG1 4.13Å; K307-V312 HydrophobicContact CB-CG2 4.17Å; K307-V312 HydrophobicContact CG-CG2 3.8Å; P308-V312 PolarHBondContact O-N 3.42Å; L309-V312 PolarHBondContact O-N 3.41Å; D310-V312 VanDerWaalsContact C-N 3.31Å; D310-V312 PolarHBondContact O-N 3.29Å; V312-C314 VanDerWaalsContact C-N 3.35Å; V312-C314 PolarHBondContact O-N 2.84Å; V312-Q315 WeakPolarHBondContact O-CB 3.3Å; V312-Q315 PolarHBondContact O-N 3.48Å; V312-W567 HydrophobicContact CG2-CH2 4.06Å
313	F	95.2	Very high	91.6	Very high	2 Å²	2	47 Å²	47	1%	0.009	25%	0.254	C	S	.	.	H	α-helix	trans	-69.1	-30.5	-178.1	-65.5	-20.3	0	0	0	113	F247 F250 L251 W255 L309 D310 Q315 F316 C549 A552 A556	F247-F313 AromaticContact CE2-CE1 3.84Å; F247-F313 HydrophobicContact CE2-CE1 3.84Å; F247-F313 HydrophobicContact CE2-CZ 4.24Å; F247-F313 HydrophobicContact CZ-CE1 4.42Å; F250-F313 HydrophobicContact CD1-CE1 4.35Å; F250-F313 AromaticContact CD1-CZ 3.9Å; F250-F313 HydrophobicContact CD1-CZ 3.9Å; F250-F313 HydrophobicContact CE1-CE1 4.35Å; F250-F313 AromaticContact CE1-CE2 3.87Å; F250-F313 HydrophobicContact CE1-CE2 3.87Å; F250-F313 AromaticContact CE1-CZ 3.72Å; F250-F313 HydrophobicContact CE1-CZ 3.72Å; L251-F313 HydrophobicContact CD2-CD1 4.13Å; L251-F313 HydrophobicContact CD2-CE1 3.76Å; W255-F313 HydrophobicContact CH2-CB 3.67Å; W255-F313 AromaticContact CH2-CD1 3.63Å; W255-F313 HydrophobicContact CH2-CD1 3.63Å; W255-F313 HydrophobicContact CH2-CD2 4.36Å; W255-F313 HydrophobicContact CH2-CE1 4.37Å; W255-F313 AromaticContact CH2-CG 3.63Å; W255-F313 HydrophobicContact CH2-CG 3.63Å; W255-F313 HydrophobicContact CZ2-CB 4.2Å; W255-F313 AromaticContact CZ3-CD1 3.79Å; W255-F313 HydrophobicContact CZ3-CD1 3.79Å; W255-F313 HydrophobicContact CZ3-CE1 4.19Å; W255-F313 HydrophobicContact CZ3-CG 4.26Å; L309-F313 HydrophobicContact CB-CD2 4.44Å; L309-F313 HydrophobicContact CB-CE2 4.03Å; L309-F313 HydrophobicContact CB-CZ 4.27Å; L309-F313 WeakPolarHBondContact O-CB 3.37Å; L309-F313 VanDerWaalsContact O-CD2 3.31Å; L309-F313 WeakPolarHBondContact O-CD2 3.37Å; L309-F313 WeakPolarHBondContact O-CG 3.36Å; L309-F313 PolarHBondContact O-N 3.39Å; D310-F313 PolarHBondContact O-N 2.89Å; F313-Q315 PolarHBondContact O-N 3.4Å; F313-F316 WeakPolarHBondContact O-CB 3.37Å; F313-F316 PolarHBondContact O-N 3.09Å; F313-F316 VanDerWaalsContact O-N 3.09Å; F313-C549 WeakPolarHBondContact CE2-O 3.33Å; F313-A552 HydrophobicContact CD2-CB 4.13Å; F313-A552 HydrophobicContact CE2-CB 3.81Å; F313-A556 HydrophobicContact CB-CB 3.75Å
314	C	92.9	Very high	91.3	Very high	9 Å²	9	48.3 Å²	48.3	6%	0.061	26%	0.261	C	S	.	.	H	α-helix	trans	-61.2	-27.4	173.7	-71.7	0	0	0	0	112.7	D310 V312 F316 D317 L320 R559 T562	D310-C314 WeakPolarHBondContact O-CB 3.23Å; D310-C314 PolarHBondContact O-N 3.48Å; D310-C314 PolarHBondContact O-SG 3.22Å; V312-C314 VanDerWaalsContact C-N 3.35Å; V312-C314 PolarHBondContact O-N 2.84Å; C314-F316 PolarHBondContact O-N 2.82Å; C314-F316 VanDerWaalsContact O-N 3.14Å; C314-D317 PolarHBondContact O-N 2.95Å; C314-D317 VanDerWaalsContact O-N 3.09Å; C314-L320 HydrophobicContact CB-CD1 3.78Å; C314-R559 VanDerWaalsContact SG-CG 3.53Å; C314-T562 HydrophobicContact CB-CG2 4.04Å
315	Q	91.6	Very high	90.8	Very high	48 Å²	48	51.4 Å²	51.4	22%	0.224	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-4.2	177	-56.8	-59.5	-51	0	0	113.9	V312 F313 K331 L334 W567	V312-Q315 WeakPolarHBondContact O-CB 3.3Å; V312-Q315 PolarHBondContact O-N 3.48Å; F313-Q315 PolarHBondContact O-N 3.4Å; Q315-K331 HydrophobicContact CB-CB 3.77Å; Q315-L334 HydrophobicContact CG-CD1 3.93Å; Q315-W567 HydrophobicContact CG-CH2 4.28Å; Q315-W567 HydrophobicContact CG-CZ2 3.59Å
316	F	92.4	Very high	90.3	Very high	13 Å²	13	52.7 Å²	52.7	6%	0.057	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.6	-9.7	171.8	-69.6	-103	0	0	0	112.9	L251 W255 E258 L298 F313 C314 K331	L251-F316 HydrophobicContact CD1-CZ 4.16Å; L251-F316 HydrophobicContact CD2-CE2 4.07Å; L251-F316 HydrophobicContact CD2-CZ 3.9Å; W255-F316 HydrophobicContact CB-CD1 3.78Å; W255-F316 HydrophobicContact CB-CE1 4.21Å; W255-F316 HydrophobicContact CD2-CB 3.77Å; W255-F316 AromaticContact CD2-CD1 3.66Å; W255-F316 HydrophobicContact CD2-CD1 3.66Å; W255-F316 HydrophobicContact CD2-CD2 4.43Å; W255-F316 HydrophobicContact CD2-CE1 4.31Å; W255-F316 AromaticContact CD2-CG 3.73Å; W255-F316 HydrophobicContact CD2-CG 3.73Å; W255-F316 AromaticContact CE2-CG 3.83Å; W255-F316 HydrophobicContact CE3-CD1 4.02Å; W255-F316 HydrophobicContact CE3-CD2 4.4Å; W255-F316 HydrophobicContact CE3-CE1 4.25Å; W255-F316 HydrophobicContact CE3-CG 4.09Å; W255-F316 HydrophobicContact CG-CB 3.94Å; W255-F316 AromaticContact CG-CD1 3.56Å; W255-F316 HydrophobicContact CG-CD1 3.56Å; W255-F316 HydrophobicContact CG-CE1 4.32Å; W255-F316 AromaticContact CG-CG 4Å; W255-F316 HydrophobicContact CG-CG 4Å; W255-F316 HydrophobicContact CZ2-CB 3.87Å; W255-F316 HydrophobicContact CZ2-CG 4.29Å; W255-F316 HydrophobicContact CZ3-CD2 4.49Å; W255-F316 VanDerWaalsContact NE1-CB 3.29Å; E258-F316 HydrophobicContact CB-CD1 4.02Å; E258-F316 HydrophobicContact CB-CE1 4.23Å; E258-F316 HydrophobicContact CG-CD1 4.11Å; L298-F316 HydrophobicContact CD1-CE2 3.71Å; L298-F316 HydrophobicContact CD1-CZ 3.53Å; F313-F316 WeakPolarHBondContact O-CB 3.37Å; F313-F316 PolarHBondContact O-N 3.09Å; F313-F316 VanDerWaalsContact O-N 3.09Å; C314-F316 PolarHBondContact O-N 2.82Å; C314-F316 VanDerWaalsContact O-N 3.14Å; F316-K331 HydrophobicContact CD1-CD 4.18Å; F316-K331 HydrophobicContact CD2-CD 4.05Å; F316-K331 HydrophobicContact CE1-CD 3.98Å; F316-K331 HydrophobicContact CE2-CD 3.82Å; F316-K331 HydrophobicContact CG-CD 4.22Å; F316-K331 HydrophobicContact CZ-CD 3.78Å
317	D	89.2	Confident	90	Very high	68 Å²	68	52.7 Å²	52.7	36%	0.364	30%	0.301	S	S	.	.			trans	-93.5	104	177.4	-167.8	-15.6	0	0	0	110.6	C314 K319 L320	C314-D317 PolarHBondContact O-N 2.95Å; C314-D317 VanDerWaalsContact O-N 3.09Å; D317-K319 PolarHBondContact O-N 3.26Å; D317-K319 VanDerWaalsContact O-N 3.11Å; D317-K319 VanDerWaalsContact OD1-CB 3.3Å; D317-K319 WeakPolarHBondContact OD1-CB 3.49Å; D317-K319 WeakPolarHBondContact OD1-CG 3.34Å; D317-K319 PolarHBondContact OD1-N 3.17Å; D317-L320 HydrophobicContact CB-CD1 3.97Å; D317-L320 HydrophobicContact CB-CG 3.99Å; D317-L320 PolarHBondContact O-N 3.44Å
318	S	83.7	Confident	89.7	Confident	121 Å²	121	52.4 Å²	52.4	85%	0.846	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.3	-5.7	-179.4	68.2	0	0	0	0	114.2
319	K	86.3	Confident	89.5	Confident	175 Å²	175	51.4 Å²	51.4	76%	0.761	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.7	-16.2	178.6	-58.7	174.1	-175.3	173	0	112.8	D317	D317-K319 PolarHBondContact O-N 3.26Å; D317-K319 VanDerWaalsContact O-N 3.11Å; D317-K319 VanDerWaalsContact OD1-CB 3.3Å; D317-K319 WeakPolarHBondContact OD1-CB 3.49Å; D317-K319 WeakPolarHBondContact OD1-CG 3.34Å; D317-K319 PolarHBondContact OD1-N 3.17Å
320	L	87.2	Confident	89.3	Confident	27 Å²	27	54.3 Å²	54.3	14%	0.141	31%	0.312	C	S	.	.	P	Polyproline II helix	trans	-80.9	122.7	-178.8	-61	178.4	0	0	0	109.8	C314 D317 R559 T562	C314-L320 HydrophobicContact CB-CD1 3.78Å; D317-L320 HydrophobicContact CB-CD1 3.97Å; D317-L320 HydrophobicContact CB-CG 3.99Å; D317-L320 PolarHBondContact O-N 3.44Å; L320-R559 WeakPolarHBondContact CD2-O 3.49Å; L320-T562 HydrophobicContact CB-CG2 3.89Å; L320-T562 HydrophobicContact CD1-CG2 3.94Å
321	E	86.3	Confident	89.2	Confident	158 Å²	158	54.8 Å²	54.8	74%	0.738	31%	0.314	S	S	*	.	P	Polyproline II helix	trans	-89.3	151.2	171.1	-65.3	-178.7	170	0	0	110.2	V561 T562	E321-V561 WeakPolarHBondContact O-CA 3.39Å; E321-T562 PolarHBondContact O-N 3.25Å; E321-T562 PolarHBondContact O-OG1 3.32Å
322	A	85.4	Confident	89.2	Confident	41 Å²	41	53.4 Å²	53.4	34%	0.339	31%	0.306	S	S	.	.	B	Isolated β-bridge	trans	-74.9	132.9	171.4	0	0	0	0	0	109.4	D324 T562	A322-D324 VanDerWaalsContact C-N 3.32Å; A322-T562 WeakPolarHBondContact CA-O 3.27Å
323	C	89.1	Confident	89.2	Confident	85 Å²	85	54 Å²	54	57%	0.574	31%	0.309	S	S	*	.	S	Bend	trans	-82.8	-12.3	177.7	-168	0	0	0	0	112.8	V561 T562 Y563	C323-V561 HydrophobicContact CB-CB 4.16Å; C323-V561 HydrophobicContact CB-CG1 4.41Å; C323-V561 HydrophobicContact CB-CG2 4.25Å; C323-T562 PolarHBondContact N-O 2.74Å; C323-Y563 HydrophobicContact CB-CD1 4.23Å; C323-Y563 HydrophobicContact CB-CE1 3.79Å
324	D	88.5	Confident	89.1	Confident	30 Å²	30	54.1 Å²	54.1	16%	0.16	31%	0.309	C	S	.	.	S	Bend	trans	-117.7	-179.9	-176.1	62.4	-19.4	0	0	0	112.6	A322 Y563 N564 R565	A322-D324 VanDerWaalsContact C-N 3.32Å; D324-Y563 WeakPolarHBondContact OD1-CA 3.37Å; D324-N564 VanDerWaalsContact CG-N 3.34Å; D324-N564 PolarHBondContact OD1-N 3.08Å; D324-N564 PolarHBondContact OD2-N 2.93Å; D324-N564 VanDerWaalsContact OD2-N 3.13Å; D324-R565 VanDerWaalsContact OD2-CB 3.32Å; D324-R565 WeakPolarHBondContact OD2-CB 3.35Å; D324-R565 WeakPolarHBondContact OD2-CG 3.35Å; D324-R565 PolarHBondContact OD2-N 3.04Å
325	E	85.4	Confident	89.1	Confident	67 Å²	67	53.8 Å²	53.8	31%	0.313	31%	0.307	S	S	.	.	S	Bend	trans	-65.4	160.4	-175.1	72.9	-170.6	132.7	0	0	113.6	N564 R565 V749	E325-N564 PolarHBondContact O-ND2 3.49Å; E325-R565 IonicContact OE1-CZ 3.6Å; E325-R565 IonicContact OE1-NE 2.79Å; E325-R565 IonicContact OE1-NH2 2.7Å; E325-R565 PolarHBondContact OE1-NH2 3.02Å; E325-V749 HydrophobicContact CG-CG1 3.67Å; E325-V749 HydrophobicContact CG-CG2 4.11Å; E325-V749 VanDerWaalsContact O-CG2 3.28Å; E325-V749 WeakPolarHBondContact O-CG2 3.36Å; E325-V749 WeakPolarHBondContact OE1-CG1 3.3Å
326	G	85.6	Confident	89.2	Confident	28 Å²	28	51.6 Å²	51.6	29%	0.289	30%	0.297	S	S	.	.	S	Bend	trans	98.2	159.6	176	0	0	0	0	0	113.9	G328 N564 Q746	G326-G328 VanDerWaalsContact C-N 3.27Å; G326-N564 PolarHBondContact O-ND2 2.92Å; G326-Q746 CarbonylContact C-O 3.35Å; G326-Q746 WeakPolarHBondContact CA-O 3.42Å
327	S	86.7	Confident	89.2	Confident	82 Å²	82	52.2 Å²	52.2	57%	0.573	30%	0.303	S	S	*	.			trans	-79.1	-12	174.9	59.2	0	0	0	0	113.2	Q746	S327-Q746 PolarHBondContact N-O 3.19Å; S327-Q746 PolarHBondContact OG-O 3.37Å
328	G	87.2	Confident	89.3	Confident	11 Å²	11	51.6 Å²	51.6	11%	0.113	30%	0.298	C	S	.	.			trans	65.3	-171.3	-162	0	0	0	0	0	112.3	G326 K747	G326-G328 VanDerWaalsContact C-N 3.27Å; G328-K747 CarbonylContact C-O 3.6Å; G328-K747 WeakPolarHBondContact CA-O 3.38Å
329	D	90.9	Very high	89.7	Confident	42 Å²	42	52.2 Å²	52.2	23%	0.225	29%	0.287	C	S	.	.			trans	-151.4	171.5	174.6	-158.1	-13.8	0	0	0	109	H333 L334 K747 W748	D329-H333 HydrophobicContact CB-CB 4.22Å; D329-H333 IonicContact OD1-CE1 3.52Å; D329-H333 IonicContact OD1-CG 2.75Å; D329-H333 IonicContact OD1-ND1 2.82Å; D329-H333 PolarHBondContact OD1-ND1 3.02Å; D329-H333 WeakPolarHBondContact OD2-CB 3.46Å; D329-H333 IonicContact OD2-CG 3.63Å; D329-H333 IonicContact OD2-ND1 3.42Å; D329-H333 PolarHBondContact OD2-ND1 3.12Å; D329-L334 HydrophobicContact CB-CD2 4.34Å; D329-K747 HydrophobicContact CB-CB 4.36Å; D329-W748 PolarHBondContact OD2-NE1 3.25Å
330	V	90.8	Very high	90	Very high	82 Å²	82	45.7 Å²	45.7	50%	0.497	26%	0.258	S	S	.	.			trans	-63.2	145.5	177	-63.5	0	0	0	0	111.2	Y332 H333	V330-Y332 PolarHBondContact O-N 3.13Å; V330-H333 HydrophobicContact CG2-CB 4.33Å; V330-H333 WeakPolarHBondContact CG2-CE1 3.36Å; V330-H333 VanDerWaalsContact CG2-ND1 3.26Å; V330-H333 WeakPolarHBondContact CG2-ND1 3.26Å; V330-H333 WeakPolarHBondContact O-CB 3.36Å; V330-H333 PolarHBondContact O-N 3.31Å
331	K	92.2	Very high	90.3	Very high	24 Å²	24	47.8 Å²	47.8	10%	0.104	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-50	-24.6	-176.2	61.6	-169.8	168	-88.3	0	116.2	E258 L298 Q315 F316	E258-K331 IonicContact OE2-NZ 3.64Å; E258-K331 PolarHBondContact OE2-NZ 3.02Å; L298-K331 HydrophobicContact CD1-CD 4.34Å; L298-K331 HydrophobicContact CD1-CG 4.5Å; L298-K331 HydrophobicContact CD2-CB 4.44Å; Q315-K331 HydrophobicContact CB-CB 3.77Å; F316-K331 HydrophobicContact CD1-CD 4.18Å; F316-K331 HydrophobicContact CD2-CD 4.05Å; F316-K331 HydrophobicContact CE1-CD 3.98Å; F316-K331 HydrophobicContact CE2-CD 3.82Å; F316-K331 HydrophobicContact CG-CD 4.22Å; F316-K331 HydrophobicContact CZ-CD 3.78Å
332	Y	91.7	Very high	90.6	Very high	7 Å²	7	40.7 Å²	40.7	3%	0.027	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.5	6.8	177.3	-53.5	-76.3	0	0	0	114.8	K259 R260 F261 H294 R297 L298 V330	K259-Y332 VanDerWaalsContact O-CE2 3.25Å; K259-Y332 WeakPolarHBondContact O-CE2 3.42Å; K259-Y332 PolarHBondContact O-OH 3.14Å; R260-Y332 WeakPolarHBondContact CA-OH 3.26Å; R260-Y332 HydrophobicContact CB-CE1 4.32Å; R260-Y332 WeakPolarHBondContact CB-OH 3.47Å; R260-Y332 WeakPolarHBondContact O-CE1 3.15Å; R260-Y332 PolarHBondContact O-OH 2.71Å; F261-Y332 HydrophobicContact CD2-CD1 4.41Å; F261-Y332 AromaticContact CD2-CD2 3.67Å; F261-Y332 HydrophobicContact CD2-CD2 3.67Å; F261-Y332 AromaticContact CD2-CE2 4Å; F261-Y332 HydrophobicContact CD2-CE2 4Å; F261-Y332 AromaticContact CD2-CG 3.96Å; F261-Y332 HydrophobicContact CD2-CG 3.96Å; F261-Y332 AromaticContact CE2-CD2 3.96Å; F261-Y332 HydrophobicContact CE2-CD2 3.96Å; F261-Y332 HydrophobicContact CE2-CE2 4.41Å; H294-Y332 HydrophobicContact CB-CG 4.43Å; R297-Y332 HydrophobicContact CB-CD1 4.46Å; R297-Y332 VanDerWaalsContact CD-C 3.42Å; R297-Y332 WeakPolarHBondContact CD-O 3.31Å; R297-Y332 PolarHBondContact NE-O 3.28Å; L298-Y332 HydrophobicContact CB-CE1 4.31Å; L298-Y332 HydrophobicContact CD1-CD1 4.24Å; L298-Y332 HydrophobicContact CD1-CE1 3.25Å; L298-Y332 VanDerWaalsContact CD1-CZ 3.48Å; L298-Y332 WeakPolarHBondContact CD1-OH 3.33Å; L298-Y332 HydrophobicContact CD2-CD1 4.39Å; L298-Y332 HydrophobicContact CD2-CE1 4.16Å; L298-Y332 HydrophobicContact CG-CD1 3.82Å; L298-Y332 HydrophobicContact CG-CE1 3.26Å; V330-Y332 PolarHBondContact O-N 3.13Å
333	H	95.7	Very high	90.9	Very high	14 Å²	14	45.8 Å²	45.8	7%	0.065	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.8	-15.9	175.6	-67.8	171.3	0	0	0	112.9	R297 D329 V330 A355 N356 S358	R297-H333 PolarHBondContact NH2-O 3.2Å; D329-H333 HydrophobicContact CB-CB 4.22Å; D329-H333 IonicContact OD1-CE1 3.52Å; D329-H333 IonicContact OD1-CG 2.75Å; D329-H333 IonicContact OD1-ND1 2.82Å; D329-H333 PolarHBondContact OD1-ND1 3.02Å; D329-H333 WeakPolarHBondContact OD2-CB 3.46Å; D329-H333 IonicContact OD2-CG 3.63Å; D329-H333 IonicContact OD2-ND1 3.42Å; D329-H333 PolarHBondContact OD2-ND1 3.12Å; V330-H333 HydrophobicContact CG2-CB 4.33Å; V330-H333 WeakPolarHBondContact CG2-CE1 3.36Å; V330-H333 VanDerWaalsContact CG2-ND1 3.26Å; V330-H333 WeakPolarHBondContact CG2-ND1 3.26Å; V330-H333 WeakPolarHBondContact O-CB 3.36Å; V330-H333 PolarHBondContact O-N 3.31Å; H333-A355 VanDerWaalsContact O-CA 3.22Å; H333-A355 WeakPolarHBondContact O-CA 3.2Å; H333-N356 WeakPolarHBondContact CB-O 3.23Å; H333-N356 PolarHBondContact CD2-O 3.41Å; H333-N356 PolarHBondContact O-N 3.21Å; H333-S358 PolarHBondContact CE1-N 3.34Å; H333-S358 PolarHBondContact CE1-OG 3.44Å; H333-S358 PolarHBondContact NE2-N 2.82Å; H333-S358 PolarHBondContact NE2-OG 2.9Å
334	L	92.7	Very high	91	Very high	5 Å²	5	46.6 Å²	46.6	3%	0.026	25%	0.249	C	C	.	.			trans	-67.7	136.3	-171.7	-57.4	178.2	0	0	0	111.8	R297 Q315 D329 W567	R297-L334 PolarHBondContact NE-O 3.11Å; R297-L334 PolarHBondContact NH2-O 3.17Å; Q315-L334 HydrophobicContact CG-CD1 3.93Å; D329-L334 HydrophobicContact CB-CD2 4.34Å; L334-W567 HydrophobicContact CB-CB 4.11Å; L334-W567 HydrophobicContact CB-CD2 3.71Å; L334-W567 HydrophobicContact CB-CE3 3.5Å; L334-W567 HydrophobicContact CB-CG 3.98Å; L334-W567 HydrophobicContact CB-CZ3 4.16Å; L334-W567 HydrophobicContact CD1-CD2 3.64Å; L334-W567 HydrophobicContact CD1-CE3 4.03Å; L334-W567 HydrophobicContact CD1-CG 3.99Å; L334-W567 HydrophobicContact CD1-CH2 4.35Å; L334-W567 HydrophobicContact CD1-CZ2 3.98Å; L334-W567 HydrophobicContact CD1-CZ3 4.37Å; L334-W567 HydrophobicContact CD2-CB 4.45Å; L334-W567 HydrophobicContact CD2-CG 4.35Å; L334-W567 HydrophobicContact CG-CD2 4.21Å; L334-W567 HydrophobicContact CG-CE3 4.4Å; L334-W567 HydrophobicContact CG-CG 4.33Å
335	G	93.1	Very high	91.1	Very high	1 Å²	1	47 Å²	47	1%	0.01	25%	0.253	C	S	.	.			trans	-92.9	-177	177.6	0	0	0	0	0	112.8	V353 W567	G335-V353 CarbonylContact C-O 3.51Å; G335-V353 WeakPolarHBondContact CA-O 3.47Å; G335-W567 CarbonylContact C-O 3.58Å; G335-W567 WeakPolarHBondContact CA-O 3.22Å; G335-W567 CarbonylContact O-C 3.55Å; G335-W567 VanDerWaalsContact O-CA 3.25Å; G335-W567 WeakPolarHBondContact O-CA 3.3Å; G335-W567 WeakPolarHBondContact O-CB 3.45Å
336	M	93.5	Very high	91.5	Very high	3 Å²	3	46.3 Å²	46.3	2%	0.015	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-169.2	156.8	168.8	46.4	152.7	-93	0	0	110.2	L301 C305 K307 H338 L351 A352 V353 I568	L301-M336 HydrophobicContact CD2-CG 3.44Å; L301-M336 VanDerWaalsContact CD2-CG 3.44Å; L301-M336 HydrophobicContact CD2-SD 3.57Å; L301-M336 VanDerWaalsContact CD2-SD 3.57Å; C305-M336 HydrophobicContact CB-CE 3.23Å; C305-M336 HydrophobicContact CB-SD 3.53Å; C305-M336 VanDerWaalsContact CB-SD 3.53Å; K307-M336 HydrophobicContact CB-SD 4.01Å; K307-M336 HydrophobicContact CD-CB 4.47Å; K307-M336 HydrophobicContact CD-SD 4.38Å; M336-H338 VanDerWaalsContact CE-CD2 3.42Å; M336-H338 WeakPolarHBondContact CE-CD2 3.31Å; M336-L351 HydrophobicContact CE-CB 4.48Å; M336-A352 CarbonylContact O-C 3.53Å; M336-A352 VanDerWaalsContact O-CA 3.28Å; M336-A352 WeakPolarHBondContact O-CA 3.12Å; M336-V353 HydrophobicContact CE-CG2 4.31Å; M336-V353 HydrophobicContact CG-CB 4.07Å; M336-V353 HydrophobicContact CG-CG2 4.08Å; M336-V353 PolarHBondContact N-O 3.46Å; M336-V353 PolarHBondContact O-N 2.82Å; M336-I568 CarbonylContact C-O 3.17Å; M336-I568 WeakPolarHBondContact CA-O 3.43Å
337	S	92.8	Very high	91.9	Very high	26 Å²	26	49 Å²	49	18%	0.182	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147	128.6	166.8	159.9	0	0	0	0	111.1	L351 I568 D569 P571	S337-L351 WeakPolarHBondContact CA-O 3.49Å; S337-I568 PolarHBondContact N-O 3.04Å; S337-I568 VanDerWaalsContact N-O 3.13Å; S337-D569 VanDerWaalsContact CB-C 3.46Å; S337-D569 WeakPolarHBondContact CB-O 3.25Å; S337-P571 VanDerWaalsContact OG-CD 3.25Å; S337-P571 WeakPolarHBondContact OG-CD 3.43Å
338	H	90.5	Very high	92.3	Very high	54 Å²	54	50 Å²	50	25%	0.25	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156	158.3	171.9	67.9	90.6	0	0	0	112.2	C305 M336 N350 L351	C305-H338 PolarHBondContact O-CE1 3.03Å; C305-H338 PolarHBondContact O-NE2 3.34Å; M336-H338 VanDerWaalsContact CE-CD2 3.42Å; M336-H338 WeakPolarHBondContact CE-CD2 3.31Å; H338-N350 PolarHBondContact O-OD1 3.04Å; H338-L351 PolarHBondContact N-O 2.83Å; H338-L351 PolarHBondContact O-N 2.78Å
339	Q	92.1	Very high	92.7	Very high	134 Å²	134	49.8 Å²	49.8	63%	0.626	26%	0.26	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.5	149.3	171.7	-65.8	-176.2	-4	0	0	110.8	M348 I349 N350	Q339-M348 HydrophobicContact CB-CE 4.12Å; Q339-I349 CarbonylContact C-O 3.59Å; Q339-I349 WeakPolarHBondContact CA-O 3.37Å; Q339-N350 HydrophobicContact CG-CB 4.3Å
340	R	91.8	Very high	92.9	Very high	39 Å²	39	48.7 Å²	48.7	15%	0.147	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.7	161.6	176.2	59.6	173.1	-65.6	-171.7	-4.4	112.2	V304 C305 R306 M348 I349	V304-R340 PolarHBondContact O-NH1 3.43Å; C305-R340 PolarHBondContact O-NH1 3.28Å; R306-R340 VanDerWaalsContact CG-CZ 3.48Å; R340-M348 VanDerWaalsContact C-CE 3.48Å; R340-M348 VanDerWaalsContact C-SD 3.58Å; R340-M348 CarbonylContact O-C 3.59Å; R340-M348 WeakPolarHBondContact O-CA 3.36Å; R340-I349 HydrophobicContact CG-CG1 4.02Å; R340-I349 PolarHBondContact N-O 3.16Å; R340-I349 PolarHBondContact O-N 3.29Å
341	L	94.2	Very high	93.2	Very high	71 Å²	71	44.9 Å²	44.9	37%	0.372	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	127.8	171.2	-170.1	65.5	0	0	0	110.4	G346 M348	L341-G346 VanDerWaalsContact CD1-O 3.29Å; L341-G346 WeakPolarHBondContact CD1-O 3.48Å; L341-M348 HydrophobicContact CB-SD 3.96Å; L341-M348 HydrophobicContact CD1-SD 4.11Å; L341-M348 PolarHBondContact N-SD 2.64Å
342	N	93.6	Very high	93.3	Very high	9 Å²	9	43.9 Å²	43.9	5%	0.048	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	108.6	160.4	-172.8	-20.9	0	0	0	108.6	D278 M344 T345 G346 K347 I349	D278-N342 PolarHBondContact OD1-ND2 3.31Å; D278-N342 PolarHBondContact OD1-OD1 3.18Å; N342-M344 PolarHBondContact O-N 3.3Å; N342-M344 WeakPolarHBondContact OD1-CB 3.29Å; N342-M344 PolarHBondContact OD1-N 3.28Å; N342-T345 PolarHBondContact O-N 3.07Å; N342-G346 WeakPolarHBondContact O-CA 3.45Å; N342-G346 PolarHBondContact O-N 3.39Å; N342-K347 PolarHBondContact N-O 2.81Å; N342-I349 HydrophobicContact CB-CD1 4.04Å; N342-I349 HydrophobicContact CB-CG1 4.25Å; N342-I349 HydrophobicContact CB-CG2 4.22Å
343	H	90.7	Very high	93.6	Very high	148 Å²	148	43.5 Å²	43.5	69%	0.685	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.1	-22.5	-178.4	-62.3	-66.3	0	0	0	114.2
344	M	90.5	Very high	93.7	Very high	101 Å²	101	42.9 Å²	42.9	50%	0.498	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-34.3	178.6	-61.3	-53.4	-58	0	0	111.9	L236 D278 N342	L236-M344 HydrophobicContact CD2-CE 3.75Å; L236-M344 HydrophobicContact CD2-SD 3.89Å; D278-M344 HydrophobicContact CB-CB 4.22Å; D278-M344 HydrophobicContact CB-CG 4.3Å; D278-M344 WeakPolarHBondContact OD2-CG 3.5Å; N342-M344 PolarHBondContact O-N 3.3Å; N342-M344 WeakPolarHBondContact OD1-CB 3.29Å; N342-M344 PolarHBondContact OD1-N 3.28Å
345	T	91.5	Very high	93.9	Very high	40 Å²	40	43 Å²	43	25%	0.245	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.1	-12.4	-175.1	63.7	0	0	0	0	113.3	D278 S281 A282 N342 K347	D278-T345 WeakPolarHBondContact O-CG2 3.43Å; S281-T345 PolarHBondContact OG-OG1 3.46Å; A282-T345 HydrophobicContact CB-CG2 4.01Å; N342-T345 PolarHBondContact O-N 3.07Å; T345-K347 PolarHBondContact O-N 3.21Å; T345-K347 PolarHBondContact OG1-N 3.34Å
346	G	93.3	Very high	94.1	Very high	52 Å²	52	43.3 Å²	43.3	54%	0.536	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	68.1	8.3	-173.4	0	0	0	0	0	114.2	L341 N342	L341-G346 VanDerWaalsContact CD1-O 3.29Å; L341-G346 WeakPolarHBondContact CD1-O 3.48Å; N342-G346 WeakPolarHBondContact O-CA 3.45Å; N342-G346 PolarHBondContact O-N 3.39Å
347	K	93.4	Very high	94.3	Very high	83 Å²	83	43.3 Å²	43.3	36%	0.361	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	145.6	-178.3	-61.3	-177.8	-173.1	172.8	0	111.4	S281 A282 N342 T345	S281-K347 PolarHBondContact O-NZ 3.22Å; A282-K347 PolarHBondContact O-NZ 2.94Å; N342-K347 PolarHBondContact N-O 2.81Å; T345-K347 PolarHBondContact O-N 3.21Å; T345-K347 PolarHBondContact OG1-N 3.34Å
348	M	95.7	Very high	94.5	Very high	105 Å²	105	45.8 Å²	45.8	52%	0.517	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72	129.6	166.7	-69.2	-60.9	-65.4	0	0	109.2	Q339 R340 L341	Q339-M348 HydrophobicContact CB-CE 4.12Å; R340-M348 VanDerWaalsContact C-CE 3.48Å; R340-M348 VanDerWaalsContact C-SD 3.58Å; R340-M348 CarbonylContact O-C 3.59Å; R340-M348 WeakPolarHBondContact O-CA 3.36Å; L341-M348 HydrophobicContact CB-SD 3.96Å; L341-M348 HydrophobicContact CD1-SD 4.11Å; L341-M348 PolarHBondContact N-SD 2.64Å
349	I	96	Very high	94.9	Very high	5 Å²	5	47.6 Å²	47.6	3%	0.026	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	146.3	175.2	63	169.3	0	0	0	110.3	I277 S281 E286 F288 Q339 R340 N342 L351	I277-I349 HydrophobicContact CG2-CD1 3.6Å; S281-I349 WeakPolarHBondContact OG-CG2 3.33Å; E286-I349 CarbonylContact O-C 3.48Å; E286-I349 VanDerWaalsContact O-CA 3.23Å; E286-I349 WeakPolarHBondContact O-CA 3.4Å; F288-I349 HydrophobicContact CE2-CB 4.27Å; F288-I349 HydrophobicContact CE2-CD1 4.38Å; F288-I349 HydrophobicContact CE2-CG2 4.17Å; Q339-I349 CarbonylContact C-O 3.59Å; Q339-I349 WeakPolarHBondContact CA-O 3.37Å; R340-I349 HydrophobicContact CG-CG1 4.02Å; R340-I349 PolarHBondContact N-O 3.16Å; R340-I349 PolarHBondContact O-N 3.29Å; N342-I349 HydrophobicContact CB-CD1 4.04Å; N342-I349 HydrophobicContact CB-CG1 4.25Å; N342-I349 HydrophobicContact CB-CG2 4.22Å; I349-L351 HydrophobicContact CD1-CD1 4.25Å; I349-L351 HydrophobicContact CD1-CD2 4.02Å; I349-L351 HydrophobicContact CD1-CG 4.13Å; I349-L351 HydrophobicContact CG1-CG 4.47Å
350	N	95.5	Very high	95.1	Very high	20 Å²	20	44.1 Å²	44.1	11%	0.107	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	130.1	170	-174.7	52.7	0	0	0	109.4	E286 S287 F288 H338 Q339	E286-N350 PolarHBondContact O-N 3.45Å; S287-N350 WeakPolarHBondContact CA-O 3.49Å; S287-N350 PolarHBondContact OG-ND2 2.93Å; S287-N350 VanDerWaalsContact OG-ND2 3.12Å; F288-N350 PolarHBondContact N-O 3.08Å; H338-N350 PolarHBondContact O-OD1 3.04Å; Q339-N350 HydrophobicContact CG-CB 4.3Å
351	L	95.8	Very high	95.5	Very high	2 Å²	2	42.6 Å²	42.6	1%	0.01	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	119.1	176.2	-63.7	178.5	0	0	0	108.5	I277 F288 C305 M336 S337 H338 I349	I277-L351 HydrophobicContact CD1-CD2 4.18Å; F288-L351 HydrophobicContact CB-CD2 3.73Å; F288-L351 HydrophobicContact CD2-CD2 3.73Å; F288-L351 HydrophobicContact CG-CD2 3.97Å; C305-L351 HydrophobicContact CB-CD1 4.35Å; M336-L351 HydrophobicContact CE-CB 4.48Å; S337-L351 WeakPolarHBondContact CA-O 3.49Å; H338-L351 PolarHBondContact N-O 2.83Å; H338-L351 PolarHBondContact O-N 2.78Å; I349-L351 HydrophobicContact CD1-CD1 4.25Å; I349-L351 HydrophobicContact CD1-CD2 4.02Å; I349-L351 HydrophobicContact CD1-CG 4.13Å; I349-L351 HydrophobicContact CG1-CG 4.47Å
352	A	96.2	Very high	95.7	Very high	2 Å²	2	39.2 Å²	39.2	2%	0.017	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	119.9	176.9	0	0	0	0	0	110.3	F288 V289 I290 M336	F288-A352 PolarHBondContact O-N 2.89Å; V289-A352 CarbonylContact C-O 3.54Å; V289-A352 WeakPolarHBondContact CA-O 3.43Å; I290-A352 PolarHBondContact N-O 3.06Å; M336-A352 CarbonylContact O-C 3.53Å; M336-A352 VanDerWaalsContact O-CA 3.28Å; M336-A352 WeakPolarHBondContact O-CA 3.12Å
353	V	97.4	Very high	95.9	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	118	172.3	-175.2	0	0	0	0	108.1	I290 I292 L301 C305 G335 M336 D569	I290-V353 HydrophobicContact CB-CG2 4.18Å; I290-V353 HydrophobicContact CD1-CG2 4.29Å; I290-V353 WeakPolarHBondContact O-CA 3.38Å; I292-V353 HydrophobicContact CG2-CG1 3.85Å; L301-V353 HydrophobicContact CD2-CB 4.23Å; L301-V353 HydrophobicContact CD2-CG1 4.37Å; L301-V353 HydrophobicContact CD2-CG2 4.02Å; C305-V353 VanDerWaalsContact SG-CG2 3.6Å; G335-V353 CarbonylContact C-O 3.51Å; G335-V353 WeakPolarHBondContact CA-O 3.47Å; M336-V353 HydrophobicContact CE-CG2 4.31Å; M336-V353 HydrophobicContact CG-CB 4.07Å; M336-V353 HydrophobicContact CG-CG2 4.08Å; M336-V353 PolarHBondContact N-O 3.46Å; M336-V353 PolarHBondContact O-N 2.82Å; V353-D569 WeakPolarHBondContact O-CB 3.36Å
354	C	97	Very high	96.3	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	18%	0.182	C	C	.	.	P	Polyproline II helix	trans	-65.4	137.1	178.8	-74.5	0	0	0	0	111.4	I290 R297 V363 D569	I290-C354 PolarHBondContact O-N 2.99Å; R297-C354 PolarHBondContact NH2-O 2.91Å; C354-V363 HydrophobicContact CB-CG2 3.61Å; C354-D569 WeakPolarHBondContact CA-OD2 3.26Å
355	A	96.3	Very high	96.7	Very high	7 Å²	7	27.4 Å²	27.4	6%	0.058	16%	0.159	C	C	.	.	P	Polyproline II helix	trans	-67.6	144.9	165.5	0	0	0	0	0	109.8	H333 W748	H333-A355 VanDerWaalsContact O-CA 3.22Å; H333-A355 WeakPolarHBondContact O-CA 3.2Å; A355-W748 HydrophobicContact CB-CB 4.18Å; A355-W748 HydrophobicContact CB-CD2 3.46Å; A355-W748 VanDerWaalsContact CB-CD2 3.46Å; A355-W748 HydrophobicContact CB-CE3 3.8Å; A355-W748 HydrophobicContact CB-CG 3.64Å; A355-W748 HydrophobicContact CB-CZ2 4.42Å; A355-W748 HydrophobicContact CB-CZ3 4.41Å
356	N	97.5	Very high	97	Very high	8 Å²	8	25.6 Å²	25.6	4%	0.043	15%	0.148	C	C	.	.			trans	-149.9	150.7	-176.2	62	-88.1	0	0	0	112.6	I292 R297 H333 V363 W748	I292-N356 PolarHBondContact O-OD1 2.95Å; I292-N356 VanDerWaalsContact O-OD1 3.11Å; R297-N356 PolarHBondContact NH1-OD1 3.27Å; R297-N356 PolarHBondContact NH2-OD1 3.01Å; H333-N356 WeakPolarHBondContact CB-O 3.23Å; H333-N356 PolarHBondContact CD2-O 3.41Å; H333-N356 PolarHBondContact O-N 3.21Å; N356-V363 HydrophobicContact CB-CB 3.59Å; N356-V363 HydrophobicContact CB-CG1 3.99Å; N356-V363 HydrophobicContact CB-CG2 3.78Å; N356-W748 VanDerWaalsContact C-CZ2 3.48Å
357	P	97.6	Very high	97.2	Very high	4 Å²	4	23.1 Å²	23.1	3%	0.026	12%	0.122	C	C	.	.			trans	-76.3	179	171.2	36.7	-38.5	0	0	0	111.4	H359 Q739 F740	P357-H359 HydrophobicContact CG-CB 4.1Å; P357-H359 PolarHBondContact O-N 3.23Å; P357-Q739 HydrophobicContact CB-CB 3.77Å; P357-Q739 HydrophobicContact CB-CG 4.15Å; P357-Q739 HydrophobicContact CG-CB 3.71Å; P357-Q739 HydrophobicContact CG-CG 4.27Å; P357-F740 HydrophobicContact CG-CD2 4.5Å; P357-F740 HydrophobicContact CG-CE2 3.71Å; P357-F740 HydrophobicContact CG-CZ 3.9Å
358	S	97.8	Very high	97.5	Very high	78 Å²	78	19.7 Å²	19.7	55%	0.545	11%	0.107	S	C	.	.	S	Bend	trans	-72.4	-9.7	170.8	-50.6	0	0	0	0	114	H333 L360	H333-S358 PolarHBondContact CE1-N 3.34Å; H333-S358 PolarHBondContact CE1-OG 3.44Å; H333-S358 PolarHBondContact NE2-N 2.82Å; H333-S358 PolarHBondContact NE2-OG 2.9Å; S358-L360 PolarHBondContact O-N 3.12Å
359	H	98.2	Very high	97.6	Very high	91 Å²	91	14.7 Å²	14.7	42%	0.421	8%	0.083	S	C	.	.	S	Bend	trans	-70.8	97.9	175.4	-65.7	66.5	0	0	0	108.1	P357 A362 C735 Q739	P357-H359 HydrophobicContact CG-CB 4.1Å; P357-H359 PolarHBondContact O-N 3.23Å; H359-A362 HydrophobicContact CB-CB 4.22Å; H359-A362 VanDerWaalsContact O-CB 3.28Å; H359-A362 WeakPolarHBondContact O-CB 3.21Å; H359-A362 PolarHBondContact O-N 3.25Å; H359-C735 WeakPolarHBondContact CB-SG 3.2Å; H359-C735 VanDerWaalsContact CD2-SG 3.52Å; H359-C735 VanDerWaalsContact CG-SG 3.57Å; H359-Q739 VanDerWaalsContact CE1-CD 3.48Å
360	L	98	Very high	97.7	Very high	61 Å²	61	14.7 Å²	14.7	32%	0.319	8%	0.082	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.2	145.1	-171.8	-58.4	175	0	0	0	110.7	P293 S358 A362 A396	P293-L360 HydrophobicContact CB-CD2 3.92Å; S358-L360 PolarHBondContact O-N 3.12Å; L360-A362 PolarHBondContact O-N 3.43Å; L360-A396 HydrophobicContact CB-CB 3.79Å; L360-A396 HydrophobicContact CD1-CB 3.68Å; L360-A396 HydrophobicContact CG-CB 4.35Å
361	E	98.7	Very high	97.8	Very high	7 Å²	7	13.7 Å²	13.7	3%	0.033	8%	0.077	C	C	.	.	T	Hydrogen-bonded Turn	trans	66.8	-11.2	179.5	-40.7	-50.8	145.6	0	0	116.2	V363 C364 H392 A396 Q400 V402 V403	E361-V363 PolarHBondContact O-N 2.98Å; E361-V363 VanDerWaalsContact O-N 3.1Å; E361-C364 VanDerWaalsContact O-CB 3.28Å; E361-C364 WeakPolarHBondContact O-CB 3.19Å; E361-C364 PolarHBondContact O-N 3.31Å; E361-C364 PolarHBondContact O-SG 3.24Å; E361-C364 VanDerWaalsContact O-SG 3.4Å; E361-C364 PolarHBondContact OE2-SG 3.03Å; E361-H392 IonicContact OE2-CE1 3.64Å; E361-H392 IonicContact OE2-CG 3.47Å; E361-H392 IonicContact OE2-ND1 2.81Å; E361-H392 PolarHBondContact OE2-ND1 3.37Å; E361-A396 HydrophobicContact CG-CB 3.96Å; E361-A396 VanDerWaalsContact OE1-CB 3.26Å; E361-A396 WeakPolarHBondContact OE1-CB 3.46Å; E361-Q400 HydrophobicContact CB-CB 4.09Å; E361-Q400 HydrophobicContact CB-CG 4.41Å; E361-Q400 HydrophobicContact CG-CB 3.92Å; E361-Q400 HydrophobicContact CG-CG 3.98Å; E361-V402 HydrophobicContact CB-CG1 3.63Å; E361-V403 HydrophobicContact CB-CG2 3.65Å; E361-V403 HydrophobicContact CG-CG2 3.53Å
362	A	98.5	Very high	97.9	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	8%	0.084	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-23.8	177.8	0	0	0	0	0	113.7	H359 L360 Y702 F740	H359-A362 HydrophobicContact CB-CB 4.22Å; H359-A362 VanDerWaalsContact O-CB 3.28Å; H359-A362 WeakPolarHBondContact O-CB 3.21Å; H359-A362 PolarHBondContact O-N 3.25Å; L360-A362 PolarHBondContact O-N 3.43Å; A362-Y702 HydrophobicContact CB-CE2 4.35Å; A362-Y702 WeakPolarHBondContact CB-OH 3.28Å; A362-F740 HydrophobicContact CB-CE2 4.02Å; A362-F740 HydrophobicContact CB-CZ 4.49Å
363	V	98.4	Very high	97.9	Very high	8 Å²	8	15.2 Å²	15.2	5%	0.048	8%	0.083	C	C	.	.	H	α-helix	trans	-79.4	-20.3	176.6	69	0	0	0	0	113.3	C354 N356 E361 V366 A367 F740	C354-V363 HydrophobicContact CB-CG2 3.61Å; N356-V363 HydrophobicContact CB-CB 3.59Å; N356-V363 HydrophobicContact CB-CG1 3.99Å; N356-V363 HydrophobicContact CB-CG2 3.78Å; E361-V363 PolarHBondContact O-N 2.98Å; E361-V363 VanDerWaalsContact O-N 3.1Å; V363-V366 WeakPolarHBondContact O-CB 2.94Å; V363-V366 PolarHBondContact O-N 2.86Å; V363-A367 PolarHBondContact O-N 3.21Å; V363-F740 HydrophobicContact CB-CZ 4.35Å
364	C	98.7	Very high	97.9	Very high	3 Å²	3	16.1 Å²	16.1	2%	0.02	9%	0.088	C	C	.	.	H	α-helix	trans	-52.9	-54.2	-177.2	-65	0	0	0	0	112.8	E361 V366 A367 Q368 L390 T406	E361-C364 VanDerWaalsContact O-CB 3.28Å; E361-C364 WeakPolarHBondContact O-CB 3.19Å; E361-C364 PolarHBondContact O-N 3.31Å; E361-C364 PolarHBondContact O-SG 3.24Å; E361-C364 VanDerWaalsContact O-SG 3.4Å; E361-C364 PolarHBondContact OE2-SG 3.03Å; C364-V366 VanDerWaalsContact C-N 3.31Å; C364-V366 PolarHBondContact O-N 2.77Å; C364-A367 PolarHBondContact O-N 2.87Å; C364-Q368 WeakPolarHBondContact O-CG 3.3Å; C364-Q368 PolarHBondContact O-N 3.4Å; C364-Q368 VanDerWaalsContact O-N 3.13Å; C364-L390 HydrophobicContact CB-CD1 3.93Å; C364-T406 HydrophobicContact CB-CG2 4.26Å
365	P	98.6	Very high	97.9	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-64.5	-33.6	176.6	24.7	-34.7	0	0	0	113	Q368 G369 V402 A703 F707	P365-Q368 PolarHBondContact O-N 2.95Å; P365-G369 PolarHBondContact O-N 3.19Å; P365-V402 HydrophobicContact CG-CG2 3.95Å; P365-A703 HydrophobicContact CB-CB 4.17Å; P365-A703 WeakPolarHBondContact CB-O 3.34Å; P365-F707 WeakPolarHBondContact O-CA 2.78Å
366	V	98.5	Very high	97.9	Very high	2 Å²	2	20 Å²	20	1%	0.012	10%	0.103	C	C	.	.	H	α-helix	trans	-62.5	-45.2	177	-176.2	0	0	0	0	111.3	V363 C364 Q368 G369 K370 G706 L709 G710 L713 I736 F740	V363-V366 WeakPolarHBondContact O-CB 2.94Å; V363-V366 PolarHBondContact O-N 2.86Å; C364-V366 VanDerWaalsContact C-N 3.31Å; C364-V366 PolarHBondContact O-N 2.77Å; V366-Q368 VanDerWaalsContact C-N 3.33Å; V366-Q368 PolarHBondContact O-N 3.49Å; V366-G369 PolarHBondContact O-N 3.05Å; V366-K370 WeakPolarHBondContact O-CB 3.37Å; V366-K370 PolarHBondContact O-N 3.2Å; V366-G706 VanDerWaalsContact CA-O 3.26Å; V366-G706 WeakPolarHBondContact CA-O 2.95Å; V366-L709 HydrophobicContact CG2-CD2 4.04Å; V366-G710 VanDerWaalsContact O-CA 3.25Å; V366-G710 WeakPolarHBondContact O-CA 3.46Å; V366-L713 HydrophobicContact CG1-CD1 4.23Å; V366-I736 HydrophobicContact CG2-CD1 4.42Å; V366-F740 HydrophobicContact CG2-CD1 4.34Å; V366-F740 HydrophobicContact CG2-CE1 4.04Å; V366-F740 HydrophobicContact CG2-CZ 4.15Å
367	A	98.3	Very high	97.7	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-64.2	-37.7	175.4	0	0	0	0	0	112	V289 V363 C364 T371 L390	V289-A367 HydrophobicContact CG1-CB 4.15Å; V363-A367 PolarHBondContact O-N 3.21Å; C364-A367 PolarHBondContact O-N 2.87Å; A367-T371 WeakPolarHBondContact O-CB 3.47Å; A367-T371 PolarHBondContact O-N 2.91Å; A367-T371 PolarHBondContact O-OG1 3.33Å; A367-L390 HydrophobicContact CB-CD2 3.74Å
368	Q	98.6	Very high	97.6	Very high	10 Å²	10	27.2 Å²	27.2	5%	0.047	13%	0.13	C	C	.	.	H	α-helix	trans	-65.1	-45.8	175.2	-67.5	-58.8	-35.7	0	0	112.3	C364 P365 V366 K370 T371 K372 S388 L390 T406 T417 T420 F707	C364-Q368 WeakPolarHBondContact O-CG 3.3Å; C364-Q368 PolarHBondContact O-N 3.4Å; C364-Q368 VanDerWaalsContact O-N 3.13Å; P365-Q368 PolarHBondContact O-N 2.95Å; V366-Q368 VanDerWaalsContact C-N 3.33Å; V366-Q368 PolarHBondContact O-N 3.49Å; Q368-K370 VanDerWaalsContact C-N 3.31Å; Q368-K370 PolarHBondContact O-N 3.39Å; Q368-T371 WeakPolarHBondContact O-CB 3.31Å; Q368-T371 PolarHBondContact O-N 2.91Å; Q368-K372 PolarHBondContact O-N 2.86Å; Q368-S388 PolarHBondContact NE2-OG 3.21Å; Q368-S388 PolarHBondContact OE1-OG 3.24Å; Q368-L390 HydrophobicContact CG-CD1 4.47Å; Q368-T406 HydrophobicContact CG-CG2 3.85Å; Q368-T417 WeakPolarHBondContact O-CG2 3.47Å; Q368-T417 VanDerWaalsContact OE1-CG2 3.23Å; Q368-T417 PolarHBondContact OE1-OG1 2.88Å; Q368-T420 VanDerWaalsContact NE2-CG2 3.31Å; Q368-T420 PolarHBondContact NE2-OG1 3.44Å; Q368-T420 PolarHBondContact OE1-OG1 3Å; Q368-F707 HydrophobicContact CB-CD2 3.83Å; Q368-F707 HydrophobicContact CB-CE2 3.92Å
369	G	98.2	Very high	97.4	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-59.3	-42.2	177	0	0	0	0	0	113.3	P365 V366 K372 A373 F707 Y711	P365-G369 PolarHBondContact O-N 3.19Å; V366-G369 PolarHBondContact O-N 3.05Å; G369-K372 PolarHBondContact O-N 3.12Å; G369-A373 PolarHBondContact O-N 3.4Å; G369-F707 WeakPolarHBondContact CA-O 3.36Å; G369-Y711 WeakPolarHBondContact O-CA 3.27Å
370	K	97.4	Very high	97.3	Very high	5 Å²	5	22.2 Å²	22.2	2%	0.022	11%	0.113	C	C	.	.	H	α-helix	trans	-64.1	-43.4	175.1	177.3	165.6	169.3	164.4	0	112.4	V289 V366 Q368 K372 A373 E374 D569 S570 G710 T714	V289-K370 HydrophobicContact CG1-CB 4.25Å; V289-K370 HydrophobicContact CG1-CD 3.98Å; V289-K370 HydrophobicContact CG1-CG 4Å; V289-K370 HydrophobicContact CG2-CG 4.25Å; V366-K370 WeakPolarHBondContact O-CB 3.37Å; V366-K370 PolarHBondContact O-N 3.2Å; Q368-K370 VanDerWaalsContact C-N 3.31Å; Q368-K370 PolarHBondContact O-N 3.39Å; K370-K372 PolarHBondContact O-N 3.32Å; K370-A373 PolarHBondContact O-N 3Å; K370-E374 PolarHBondContact O-N 2.99Å; K370-D569 PolarHBondContact NZ-O 3.41Å; K370-D569 IonicContact NZ-OD1 3.62Å; K370-D569 IonicContact NZ-OD2 3.35Å; K370-D569 PolarHBondContact NZ-OD2 3.44Å; K370-S570 WeakPolarHBondContact CE-OG 3.48Å; K370-S570 PolarHBondContact NZ-OG 3.18Å; K370-G710 WeakPolarHBondContact CA-O 3.27Å; K370-G710 PolarHBondContact N-O 3.22Å; K370-T714 WeakPolarHBondContact CA-OG1 3.43Å; K370-T714 PolarHBondContact O-OG1 3.02Å
371	T	98.1	Very high	97	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-59.1	-46.9	174.1	-56.8	0	0	0	0	111	V289 A367 Q368 A373 E374 Q375 V386 S388 T417	V289-T371 WeakPolarHBondContact CB-OG1 3.32Å; A367-T371 WeakPolarHBondContact O-CB 3.47Å; A367-T371 PolarHBondContact O-N 2.91Å; A367-T371 PolarHBondContact O-OG1 3.33Å; Q368-T371 WeakPolarHBondContact O-CB 3.31Å; Q368-T371 PolarHBondContact O-N 2.91Å; T371-A373 PolarHBondContact O-N 3.44Å; T371-E374 PolarHBondContact O-N 3.39Å; T371-Q375 WeakPolarHBondContact O-CG 3.47Å; T371-Q375 PolarHBondContact O-N 2.98Å; T371-V386 HydrophobicContact CG2-CG1 4.03Å; T371-S388 WeakPolarHBondContact OG1-CB 3.49Å; T371-T417 HydrophobicContact CG2-CG2 3.91Å
372	K	97.8	Very high	96.7	Very high	36 Å²	36	28.9 Å²	28.9	16%	0.157	15%	0.154	C	C	.	.	H	α-helix	trans	-62	-44.2	179.2	-177.7	64.2	169.1	-173.1	0	112.4	Q368 G369 K370 Q375 F376 T416 T417 F707 Y711	Q368-K372 PolarHBondContact O-N 2.86Å; G369-K372 PolarHBondContact O-N 3.12Å; K370-K372 PolarHBondContact O-N 3.32Å; K372-Q375 WeakPolarHBondContact O-CB 3.39Å; K372-Q375 PolarHBondContact O-N 3.17Å; K372-F376 WeakPolarHBondContact O-CB 3.32Å; K372-F376 PolarHBondContact O-N 3Å; K372-T416 WeakPolarHBondContact CD-O 3.44Å; K372-T416 PolarHBondContact NZ-O 2.98Å; K372-T417 HydrophobicContact CB-CG2 4.14Å; K372-F707 HydrophobicContact CB-CE1 3.98Å; K372-F707 HydrophobicContact CB-CE2 4.22Å; K372-F707 HydrophobicContact CB-CZ 3.39Å; K372-F707 HydrophobicContact CG-CE1 4.04Å; K372-F707 HydrophobicContact CG-CZ 3.63Å; K372-Y711 HydrophobicContact CB-CD2 4.4Å; K372-Y711 HydrophobicContact CB-CE2 4.48Å; K372-Y711 HydrophobicContact CG-CD2 4.27Å; K372-Y711 HydrophobicContact CG-CE2 3.97Å
373	A	96.9	Very high	96.5	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-62.6	-44.5	177.6	0	0	0	0	0	111.2	G369 K370 T371 Q375 F376 Y377 Y711 T714	G369-A373 PolarHBondContact O-N 3.4Å; K370-A373 PolarHBondContact O-N 3Å; T371-A373 PolarHBondContact O-N 3.44Å; A373-Q375 VanDerWaalsContact C-N 3.33Å; A373-Q375 PolarHBondContact O-N 2.79Å; A373-F376 WeakPolarHBondContact O-CB 3.13Å; A373-F376 PolarHBondContact O-N 2.89Å; A373-F376 VanDerWaalsContact O-N 3.17Å; A373-Y377 HydrophobicContact CB-CD2 4.36Å; A373-Y377 HydrophobicContact CB-CE2 4.19Å; A373-Y377 WeakPolarHBondContact O-CD2 3.4Å; A373-Y377 PolarHBondContact O-N 3.32Å; A373-Y711 HydrophobicContact CB-CD1 3.76Å; A373-Y711 HydrophobicContact CB-CD2 3.76Å; A373-Y711 HydrophobicContact CB-CE1 3.85Å; A373-Y711 HydrophobicContact CB-CE2 3.88Å; A373-Y711 HydrophobicContact CB-CG 3.7Å; A373-T714 VanDerWaalsContact CB-CB 3.46Å; A373-T714 HydrophobicContact CB-CG2 3.85Å; A373-T714 WeakPolarHBondContact CB-OG1 3.49Å
374	E	96.1	Very high	96.4	Very high	19 Å²	19	33.9 Å²	33.9	9%	0.089	18%	0.175	C	C	.	.	H	α-helix	trans	-64.5	-38.1	177.8	-170.7	178.1	-169.5	0	0	111.8	S287 K370 T371 F376 R378 V386 T714	S287-E374 WeakPolarHBondContact CB-OE1 3.36Å; S287-E374 PolarHBondContact OG-OE1 3.46Å; S287-E374 PolarHBondContact OG-OE2 2.97Å; K370-E374 PolarHBondContact O-N 2.99Å; T371-E374 PolarHBondContact O-N 3.39Å; E374-F376 VanDerWaalsContact C-N 3.35Å; E374-F376 PolarHBondContact O-N 3.36Å; E374-R378 HydrophobicContact CG-CG 4.29Å; E374-R378 VanDerWaalsContact O-CB 3.27Å; E374-R378 WeakPolarHBondContact O-CB 3.42Å; E374-R378 VanDerWaalsContact O-CG 3.26Å; E374-R378 WeakPolarHBondContact O-CG 3.49Å; E374-R378 PolarHBondContact O-N 3.33Å; E374-R378 IonicContact OE1-CZ 3.28Å; E374-R378 IonicContact OE1-NE 2.75Å; E374-R378 PolarHBondContact OE1-NE 3.31Å; E374-R378 IonicContact OE1-NH1 2.8Å; E374-R378 IonicContact OE1-NH2 3.59Å; E374-R378 PolarHBondContact OE1-NH2 3.12Å; E374-V386 HydrophobicContact CB-CG1 3.99Å; E374-V386 HydrophobicContact CB-CG2 4.45Å; E374-V386 HydrophobicContact CG-CG1 4.03Å; E374-V386 HydrophobicContact CG-CG2 3.88Å; E374-T714 HydrophobicContact CB-CG2 4.21Å
375	Q	97.3	Very high	96.3	Very high	7 Å²	7	37.8 Å²	37.8	3%	0.033	19%	0.191	C	C	.	.	H	α-helix	trans	-58.4	-46.9	171.1	-74.3	174.7	-13	0	0	111.7	T371 K372 A373 R378 G379 D380 V386 T417	T371-Q375 WeakPolarHBondContact O-CG 3.47Å; T371-Q375 PolarHBondContact O-N 2.98Å; K372-Q375 WeakPolarHBondContact O-CB 3.39Å; K372-Q375 PolarHBondContact O-N 3.17Å; A373-Q375 VanDerWaalsContact C-N 3.33Å; A373-Q375 PolarHBondContact O-N 2.79Å; Q375-R378 PolarHBondContact O-N 3.17Å; Q375-G379 PolarHBondContact O-N 3.11Å; Q375-D380 HydrophobicContact CB-CB 4.3Å; Q375-D380 HydrophobicContact CG-CB 4.41Å; Q375-D380 PolarHBondContact O-N 3.03Å; Q375-V386 HydrophobicContact CG-CB 3.7Å; Q375-V386 HydrophobicContact CG-CG1 4.23Å; Q375-V386 HydrophobicContact CG-CG2 4.31Å; Q375-V386 PolarHBondContact NE2-O 3.36Å; Q375-T417 PolarHBondContact NE2-O 3.07Å
376	F	96.1	Very high	96.2	Very high	80 Å²	80	37.8 Å²	37.8	35%	0.351	19%	0.191	S	C	.	.	H	α-helix	trans	-61	-53.2	-179.8	-177.6	-92.3	0	0	0	111.9	K372 A373 E374 R378 G379 H649 P691 Y711	K372-F376 WeakPolarHBondContact O-CB 3.32Å; K372-F376 PolarHBondContact O-N 3Å; A373-F376 WeakPolarHBondContact O-CB 3.13Å; A373-F376 PolarHBondContact O-N 2.89Å; A373-F376 VanDerWaalsContact O-N 3.17Å; E374-F376 VanDerWaalsContact C-N 3.35Å; E374-F376 PolarHBondContact O-N 3.36Å; F376-R378 VanDerWaalsContact C-N 3.29Å; F376-R378 PolarHBondContact O-N 2.91Å; F376-G379 PolarHBondContact O-N 3.37Å; F376-G379 VanDerWaalsContact O-N 3.12Å; F376-H649 AromaticContact CD1-CE1 3.96Å; F376-H649 AromaticContact CD1-ND1 4Å; F376-H649 AromaticContact CE1-CE1 3.36Å; F376-H649 WeakPolarHBondContact CE1-CE1 3.42Å; F376-H649 AromaticContact CE1-ND1 3.35Å; F376-H649 VanDerWaalsContact CE1-ND1 3.35Å; F376-H649 WeakPolarHBondContact CE1-ND1 3.44Å; F376-H649 AromaticContact CZ-CE1 3.49Å; F376-H649 VanDerWaalsContact CZ-CE1 3.49Å; F376-H649 WeakPolarHBondContact CZ-CE1 3.48Å; F376-H649 AromaticContact CZ-ND1 3.89Å; F376-H649 AromaticContact CZ-NE2 3.87Å; F376-P691 HydrophobicContact CE1-CG 4.07Å; F376-P691 HydrophobicContact CZ-CB 4.16Å; F376-P691 HydrophobicContact CZ-CG 3.58Å; F376-Y711 WeakPolarHBondContact CB-OH 3.45Å; F376-Y711 WeakPolarHBondContact CD1-OH 3.23Å; F376-Y711 VanDerWaalsContact CG-OH 3.26Å; F376-Y711 WeakPolarHBondContact CG-OH 3.41Å
377	Y	94.6	Very high	96.2	Very high	77 Å²	77	37.7 Å²	37.7	30%	0.302	19%	0.191	S	C	.	.	H	α-helix	trans	-72.5	-19.1	-176.3	-65.7	-65.2	0	0	0	113.9	A373 H649 Y711 N715 A718	A373-Y377 HydrophobicContact CB-CD2 4.36Å; A373-Y377 HydrophobicContact CB-CE2 4.19Å; A373-Y377 WeakPolarHBondContact O-CD2 3.4Å; A373-Y377 PolarHBondContact O-N 3.32Å; Y377-H649 AromaticContact CE1-ND1 3.92Å; Y377-H649 AromaticContact CZ-ND1 3.64Å; Y377-H649 PolarHBondContact OH-ND1 2.98Å; Y377-Y711 AromaticContact CE2-CE1 3.98Å; Y377-Y711 HydrophobicContact CE2-CE1 3.98Å; Y377-N715 WeakPolarHBondContact CD1-ND2 3.36Å; Y377-N715 HydrophobicContact CD2-CB 3.83Å; Y377-N715 HydrophobicContact CE1-CB 4.2Å; Y377-N715 WeakPolarHBondContact CE1-ND2 3.47Å; Y377-N715 HydrophobicContact CE2-CB 3.31Å; Y377-A718 WeakPolarHBondContact OH-CB 3.3Å
378	R	94	Very high	96.2	Very high	88 Å²	88	37.7 Å²	37.7	33%	0.332	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.3	-0.9	171.8	-67.7	-175.4	179.7	-140.2	3	114	E286 E374 Q375 F376 D380	E286-R378 IonicContact OE2-NH1 2.87Å; E374-R378 HydrophobicContact CG-CG 4.29Å; E374-R378 VanDerWaalsContact O-CB 3.27Å; E374-R378 WeakPolarHBondContact O-CB 3.42Å; E374-R378 VanDerWaalsContact O-CG 3.26Å; E374-R378 WeakPolarHBondContact O-CG 3.49Å; E374-R378 PolarHBondContact O-N 3.33Å; E374-R378 IonicContact OE1-CZ 3.28Å; E374-R378 IonicContact OE1-NE 2.75Å; E374-R378 PolarHBondContact OE1-NE 3.31Å; E374-R378 IonicContact OE1-NH1 2.8Å; E374-R378 IonicContact OE1-NH2 3.59Å; E374-R378 PolarHBondContact OE1-NH2 3.12Å; Q375-R378 PolarHBondContact O-N 3.17Å; F376-R378 VanDerWaalsContact C-N 3.29Å; F376-R378 PolarHBondContact O-N 2.91Å; R378-D380 PolarHBondContact O-N 3.4Å
379	G	95	Very high	96.2	Very high	54 Å²	54	37.2 Å²	37.2	56%	0.557	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	64.3	28.1	-174.2	0	0	0	0	0	113.5	Q375 F376 T381	Q375-G379 PolarHBondContact O-N 3.11Å; F376-G379 PolarHBondContact O-N 3.37Å; F376-G379 VanDerWaalsContact O-N 3.12Å; G379-T381 VanDerWaalsContact C-N 3.33Å; G379-T381 PolarHBondContact O-N 3.41Å
380	D	95.9	Very high	96.2	Very high	9 Å²	9	37.2 Å²	37.2	5%	0.048	19%	0.189	C	C	.	.			trans	-89	64.7	-179.3	-174.4	29.7	0	0	0	111.5	Q375 R378 D382 G383 K384 K385 V386	Q375-D380 HydrophobicContact CB-CB 4.3Å; Q375-D380 HydrophobicContact CG-CB 4.41Å; Q375-D380 PolarHBondContact O-N 3.03Å; R378-D380 PolarHBondContact O-N 3.4Å; D380-D382 PolarHBondContact O-N 3.23Å; D380-G383 PolarHBondContact O-N 3.44Å; D380-G383 PolarHBondContact OD1-N 3.27Å; D380-G383 VanDerWaalsContact OD2-CA 3.26Å; D380-G383 WeakPolarHBondContact OD2-CA 3.47Å; D380-K384 VanDerWaalsContact CG-N 3.34Å; D380-K384 PolarHBondContact OD1-N 3.34Å; D380-K384 PolarHBondContact OD2-N 3.11Å; D380-K384 VanDerWaalsContact OD2-N 3.16Å; D380-K385 HydrophobicContact CB-CB 4.19Å; D380-K385 HydrophobicContact CB-CD 4.49Å; D380-K385 VanDerWaalsContact CG-N 3.28Å; D380-K385 PolarHBondContact OD1-N 3.09Å; D380-K385 WeakPolarHBondContact OD2-CA 3.35Å; D380-K385 WeakPolarHBondContact OD2-CB 3.44Å; D380-K385 PolarHBondContact OD2-N 2.88Å; D380-V386 PolarHBondContact OD2-N 3.49Å
381	T	91.6	Very high	96.3	Very high	116 Å²	116	37.1 Å²	37.1	71%	0.712	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-28	-176.7	54	0	0	0	0	113.7	G379	G379-T381 VanDerWaalsContact C-N 3.33Å; G379-T381 PolarHBondContact O-N 3.41Å
382	D	93.1	Very high	96.3	Very high	93 Å²	93	37.2 Å²	37.2	50%	0.497	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.8	-8.5	177.3	-72.4	-2.2	0	0	0	112.6	D380 K384	D380-D382 PolarHBondContact O-N 3.23Å; D382-K384 VanDerWaalsContact C-N 3.3Å; D382-K384 HydrophobicContact CB-CD 3.89Å; D382-K384 HydrophobicContact CB-CG 3.89Å; D382-K384 PolarHBondContact O-N 3.14Å; D382-K384 IonicContact OD2-NZ 3.8Å; D382-K384 PolarHBondContact OD2-NZ 3.44Å
383	G	93.5	Very high	96.3	Very high	1 Å²	1	36.4 Å²	36.4	1%	0.01	19%	0.191	C	C	.	.	S	Bend	trans	66.6	25.3	-176.4	0	0	0	0	0	114.3	D380 R477	D380-G383 PolarHBondContact O-N 3.44Å; D380-G383 PolarHBondContact OD1-N 3.27Å; D380-G383 VanDerWaalsContact OD2-CA 3.26Å; D380-G383 WeakPolarHBondContact OD2-CA 3.47Å; G383-R477 PolarHBondContact O-NH1 3.32Å; G383-R477 PolarHBondContact O-NH2 3.33Å
384	K	95.7	Very high	96.3	Very high	111 Å²	111	36.6 Å²	36.6	48%	0.483	19%	0.192	S	C	.	.	S	Bend	trans	-85.5	-20.7	-175.1	-71	175.4	-179.1	155.1	0	113.7	G284 V285 D380 D382	G284-K384 CarbonylContact C-O 3.55Å; V285-K384 WeakPolarHBondContact CA-O 3.36Å; V285-K384 WeakPolarHBondContact CG2-O 3.28Å; V285-K384 PolarHBondContact N-O 3.47Å; D380-K384 VanDerWaalsContact CG-N 3.34Å; D380-K384 PolarHBondContact OD1-N 3.34Å; D380-K384 PolarHBondContact OD2-N 3.11Å; D380-K384 VanDerWaalsContact OD2-N 3.16Å; D382-K384 VanDerWaalsContact C-N 3.3Å; D382-K384 HydrophobicContact CB-CD 3.89Å; D382-K384 HydrophobicContact CB-CG 3.89Å; D382-K384 PolarHBondContact O-N 3.14Å; D382-K384 IonicContact OD2-NZ 3.8Å; D382-K384 PolarHBondContact OD2-NZ 3.44Å
385	K	97.2	Very high	96.4	Very high	85 Å²	85	37 Å²	37	37%	0.37	20%	0.198	S	C	.	.	S	Bend	trans	-99.4	-29.4	-177.3	-59.6	-178.5	-178.4	176.4	0	113.1	E286 S287 D380	E286-K385 PolarHBondContact N-O 2.89Å; S287-K385 PolarHBondContact N-O 3.27Å; D380-K385 HydrophobicContact CB-CB 4.19Å; D380-K385 HydrophobicContact CB-CD 4.49Å; D380-K385 VanDerWaalsContact CG-N 3.28Å; D380-K385 PolarHBondContact OD1-N 3.09Å; D380-K385 WeakPolarHBondContact OD2-CA 3.35Å; D380-K385 WeakPolarHBondContact OD2-CB 3.44Å; D380-K385 PolarHBondContact OD2-N 2.88Å
386	V	97.6	Very high	96.4	Very high	0 Å²	0	37 Å²	37	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	132.4	-175.9	-174.1	0	0	0	0	109.7	S287 T371 E374 Q375 D380 R477	S287-V386 WeakPolarHBondContact O-CA 3.46Å; T371-V386 HydrophobicContact CG2-CG1 4.03Å; E374-V386 HydrophobicContact CB-CG1 3.99Å; E374-V386 HydrophobicContact CB-CG2 4.45Å; E374-V386 HydrophobicContact CG-CG1 4.03Å; E374-V386 HydrophobicContact CG-CG2 3.88Å; Q375-V386 HydrophobicContact CG-CB 3.7Å; Q375-V386 HydrophobicContact CG-CG1 4.23Å; Q375-V386 HydrophobicContact CG-CG2 4.31Å; Q375-V386 PolarHBondContact NE2-O 3.36Å; D380-V386 PolarHBondContact OD2-N 3.49Å; V386-R477 PolarHBondContact O-NH2 3.4Å
387	M	97.5	Very high	96.5	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	159.7	177.4	79.2	-175.4	-71	0	0	113.1	S280 V285 S287 F288 V289 I421 R477	S280-M387 VanDerWaalsContact CB-SD 3.58Å; V285-M387 HydrophobicContact CB-SD 4.28Å; V285-M387 HydrophobicContact CG1-CB 4.27Å; V285-M387 HydrophobicContact CG1-CG 3.74Å; V285-M387 HydrophobicContact CG1-SD 3.84Å; V285-M387 HydrophobicContact CG2-CG 4.49Å; V285-M387 HydrophobicContact CG2-SD 3.88Å; S287-M387 PolarHBondContact O-N 3.38Å; F288-M387 WeakPolarHBondContact CA-O 3.35Å; F288-M387 HydrophobicContact CD1-CG 3.53Å; F288-M387 HydrophobicContact CD1-SD 3.62Å; F288-M387 HydrophobicContact CE1-CG 3.86Å; F288-M387 HydrophobicContact CE1-SD 3.34Å; F288-M387 WeakPolarHBondContact CE1-SD 3.27Å; F288-M387 HydrophobicContact CG-CG 4.35Å; F288-M387 HydrophobicContact CZ-SD 4.36Å; V289-M387 PolarHBondContact N-O 2.98Å; M387-I421 HydrophobicContact CE-CB 4.36Å; M387-I421 HydrophobicContact CE-CD1 3.36Å; M387-I421 HydrophobicContact CE-CG1 3.67Å; M387-R477 HydrophobicContact CE-CG 4.34Å
388	S	97.9	Very high	96.6	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	145.9	171	42.9	0	0	0	0	112.2	V289 Q368 T371 T420 I421	V289-S388 CarbonylContact O-C 3.56Å; V289-S388 WeakPolarHBondContact O-CA 3.48Å; Q368-S388 PolarHBondContact NE2-OG 3.21Å; Q368-S388 PolarHBondContact OE1-OG 3.24Å; T371-S388 WeakPolarHBondContact OG1-CB 3.49Å; S388-T420 WeakPolarHBondContact OG-CG2 3.35Å; S388-T420 PolarHBondContact OG-OG1 3.21Å; S388-T420 VanDerWaalsContact OG-OG1 3.13Å; S388-I421 PolarHBondContact O-N 2.98Å
389	I	98.6	Very high	96.8	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	118	166.6	-57.5	174.9	0	0	0	107.3	V276 I277 F288 V289 I290 G291 I391 I421 I423	V276-I389 HydrophobicContact CG1-CD1 3.87Å; V276-I389 HydrophobicContact CG1-CG1 4.45Å; I277-I389 HydrophobicContact CG1-CD1 4Å; F288-I389 HydrophobicContact CD1-CD1 3.89Å; F288-I389 HydrophobicContact CD1-CG1 4.46Å; V289-I389 PolarHBondContact O-N 3.46Å; I290-I389 VanDerWaalsContact CA-O 3.29Å; I290-I389 WeakPolarHBondContact CA-O 3.28Å; I290-I389 HydrophobicContact CG1-CB 4.48Å; G291-I389 PolarHBondContact N-O 2.63Å; I389-I391 HydrophobicContact CG2-CG1 4.43Å; I389-I421 CarbonylContact C-O 3.22Å; I389-I421 WeakPolarHBondContact CA-O 3.29Å; I389-I423 HydrophobicContact CG2-CD1 4.22Å
390	L	98.7	Very high	96.9	Very high	1 Å²	1	31 Å²	31	1%	0.005	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	129.5	176.9	-63.1	-175.4	0	0	0	109.8	G291 C364 A367 Q368 H392 T420 I421 H422 I423	G291-L390 CarbonylContact O-C 3.5Å; G291-L390 WeakPolarHBondContact O-CA 2.99Å; C364-L390 HydrophobicContact CB-CD1 3.93Å; A367-L390 HydrophobicContact CB-CD2 3.74Å; Q368-L390 HydrophobicContact CG-CD1 4.47Å; L390-H392 WeakPolarHBondContact CB-NE2 3.47Å; L390-T420 HydrophobicContact CB-CG2 4.23Å; L390-T420 HydrophobicContact CD1-CG2 3.99Å; L390-T420 HydrophobicContact CG-CG2 3.75Å; L390-I421 PolarHBondContact N-O 2.86Å; L390-H422 CarbonylContact O-C 3.59Å; L390-H422 VanDerWaalsContact O-CA 3.27Å; L390-H422 WeakPolarHBondContact O-CA 3.25Å; L390-I423 PolarHBondContact O-N 3.17Å
391	I	98.7	Very high	97	Very high	2 Å²	2	32.9 Å²	32.9	1%	0.01	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	138.1	178.6	-61.7	166.1	0	0	0	108.1	M273 I290 G291 I292 P293 I389 I423 V425	M273-I391 HydrophobicContact CE-CD1 3.58Å; M273-I391 HydrophobicContact CG-CD1 4.41Å; M273-I391 HydrophobicContact SD-CD1 3.46Å; M273-I391 WeakPolarHBondContact SD-CD1 3.45Å; I290-I391 HydrophobicContact CG2-CD1 4.41Å; G291-I391 PolarHBondContact O-N 3Å; I292-I391 HydrophobicContact CB-CB 3.98Å; I292-I391 HydrophobicContact CB-CD1 4.07Å; I292-I391 HydrophobicContact CB-CG1 4.49Å; I292-I391 HydrophobicContact CD1-CB 4.41Å; I292-I391 HydrophobicContact CD1-CD1 3.62Å; I292-I391 HydrophobicContact CD1-CG2 4.32Å; I292-I391 HydrophobicContact CG1-CB 3.81Å; I292-I391 HydrophobicContact CG1-CD1 3.9Å; I292-I391 HydrophobicContact CG1-CG1 4.44Å; I292-I391 HydrophobicContact CG1-CG2 3.89Å; P293-I391 WeakPolarHBondContact CD-O 3.34Å; I389-I391 HydrophobicContact CG2-CG1 4.43Å; I391-I423 CarbonylContact C-O 3.56Å; I391-I423 VanDerWaalsContact CA-O 3.25Å; I391-I423 WeakPolarHBondContact CA-O 3.46Å; I391-I423 HydrophobicContact CG1-CB 4.28Å; I391-V425 HydrophobicContact CG2-CG2 4.03Å
392	H	98.7	Very high	97.4	Very high	2 Å²	2	27.4 Å²	27.4	1%	0.009	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	159.7	-170.8	-48.4	-83.2	0	0	0	111.3	E361 L390 F397 H422 I423 V424 V425	E361-H392 IonicContact OE2-CE1 3.64Å; E361-H392 IonicContact OE2-CG 3.47Å; E361-H392 IonicContact OE2-ND1 2.81Å; E361-H392 PolarHBondContact OE2-ND1 3.37Å; L390-H392 WeakPolarHBondContact CB-NE2 3.47Å; H392-F397 HydrophobicContact CB-CB 4.01Å; H392-F397 HydrophobicContact CB-CD2 3.58Å; H392-F397 HydrophobicContact CB-CE2 4.41Å; H392-F397 HydrophobicContact CB-CG 4.15Å; H392-F397 AromaticContact CD2-CD2 3.53Å; H392-F397 AromaticContact CD2-CE2 3.46Å; H392-F397 VanDerWaalsContact CD2-CE2 3.46Å; H392-F397 WeakPolarHBondContact CD2-CE2 3.26Å; H392-F397 AromaticContact CE1-CD2 3.89Å; H392-F397 AromaticContact CE1-CE2 3.83Å; H392-F397 AromaticContact CG-CD2 3.28Å; H392-F397 AromaticContact CG-CE2 3.73Å; H392-F397 AromaticContact ND1-CD2 3.56Å; H392-F397 AromaticContact ND1-CE2 3.97Å; H392-F397 AromaticContact NE2-CD2 3.91Å; H392-F397 AromaticContact NE2-CE2 3.54Å; H392-H422 AromaticContact CD2-ND1 3.99Å; H392-H422 AromaticContact CE1-ND1 3.77Å; H392-H422 AromaticContact NE2-CG 3.75Å; H392-H422 AromaticContact NE2-ND1 2.95Å; H392-H422 PolarHBondContact NE2-ND1 3.18Å; H392-I423 PolarHBondContact N-O 3.32Å; H392-V424 HydrophobicContact CB-CG2 4.28Å; H392-V425 PolarHBondContact O-N 3.17Å
393	G	97.9	Very high	97.6	Very high	20 Å²	20	23.1 Å²	23.1	21%	0.206	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	146.9	161.3	0	0	0	0	0	110.4	A395 A396 F397	G393-A395 PolarHBondContact O-N 3.33Å; G393-A396 PolarHBondContact O-N 2.93Å; G393-F397 WeakPolarHBondContact O-CB 3.48Å; G393-F397 PolarHBondContact O-N 2.78Å
394	D	97.1	Very high	97.8	Very high	3 Å²	3	28.3 Å²	28.3	2%	0.016	17%	0.167	C	C	.	.	H	α-helix	trans	-53.2	-49.7	-176.2	50.3	-67.1	0	0	0	114.2	A396 S398 V424 N426 N427 I429 C444	D394-A396 PolarHBondContact O-N 2.93Å; D394-S398 PolarHBondContact O-N 3.48Å; D394-S398 PolarHBondContact O-OG 3.33Å; D394-V424 HydrophobicContact CB-CG1 4.33Å; D394-N426 HydrophobicContact CB-CB 4.05Å; D394-N427 PolarHBondContact OD1-N 3.23Å; D394-N427 PolarHBondContact OD1-ND2 3.37Å; D394-N427 VanDerWaalsContact OD1-ND2 3.12Å; D394-I429 PolarHBondContact OD2-N 3.31Å; D394-C444 HydrophobicContact CB-CB 3.95Å
395	A	97.3	Very high	98	Very high	27 Å²	27	25.3 Å²	25.3	22%	0.223	16%	0.155	C	C	.	.	H	α-helix	trans	-67.3	-36.3	-179.2	0	0	0	0	0	112.7	G393 S398 G399 A438	G393-A395 PolarHBondContact O-N 3.33Å; A395-S398 PolarHBondContact O-OG 3.47Å; A395-G399 PolarHBondContact O-N 3Å; A395-A438 HydrophobicContact CB-CB 4.5Å
396	A	98.2	Very high	98	Very high	8 Å²	8	21.7 Å²	21.7	7%	0.066	14%	0.14	C	C	.	.	H	α-helix	trans	-76.4	-39.4	-179.6	0	0	0	0	0	111.8	L360 E361 G393 D394 S398 G399 Q400	L360-A396 HydrophobicContact CB-CB 3.79Å; L360-A396 HydrophobicContact CD1-CB 3.68Å; L360-A396 HydrophobicContact CG-CB 4.35Å; E361-A396 HydrophobicContact CG-CB 3.96Å; E361-A396 VanDerWaalsContact OE1-CB 3.26Å; E361-A396 WeakPolarHBondContact OE1-CB 3.46Å; G393-A396 PolarHBondContact O-N 2.93Å; D394-A396 PolarHBondContact O-N 2.93Å; A396-S398 VanDerWaalsContact C-N 3.28Å; A396-S398 PolarHBondContact O-N 2.88Å; A396-G399 PolarHBondContact O-N 3.18Å; A396-Q400 HydrophobicContact CB-CG 4.4Å; A396-Q400 WeakPolarHBondContact O-CB 3.45Å; A396-Q400 WeakPolarHBondContact O-CG 3.4Å; A396-Q400 PolarHBondContact O-N 2.82Å
397	F	98.3	Very high	98	Very high	1 Å²	1	21.7 Å²	21.7	0%	0.004	14%	0.14	C	C	.	.	H	α-helix	trans	-58	-40.7	177.1	-166.2	-103.8	0	0	0	112.4	H392 G393 V403 F407 V424 C444 T445 V447 V485	H392-F397 HydrophobicContact CB-CB 4.01Å; H392-F397 HydrophobicContact CB-CD2 3.58Å; H392-F397 HydrophobicContact CB-CE2 4.41Å; H392-F397 HydrophobicContact CB-CG 4.15Å; H392-F397 AromaticContact CD2-CD2 3.53Å; H392-F397 AromaticContact CD2-CE2 3.46Å; H392-F397 VanDerWaalsContact CD2-CE2 3.46Å; H392-F397 WeakPolarHBondContact CD2-CE2 3.26Å; H392-F397 AromaticContact CE1-CD2 3.89Å; H392-F397 AromaticContact CE1-CE2 3.83Å; H392-F397 AromaticContact CG-CD2 3.28Å; H392-F397 AromaticContact CG-CE2 3.73Å; H392-F397 AromaticContact ND1-CD2 3.56Å; H392-F397 AromaticContact ND1-CE2 3.97Å; H392-F397 AromaticContact NE2-CD2 3.91Å; H392-F397 AromaticContact NE2-CE2 3.54Å; G393-F397 WeakPolarHBondContact O-CB 3.48Å; G393-F397 PolarHBondContact O-N 2.78Å; F397-V403 HydrophobicContact CD2-CG1 3.76Å; F397-V403 HydrophobicContact CE2-CG1 3.77Å; F397-V403 HydrophobicContact CG-CG1 4.29Å; F397-V403 HydrophobicContact CZ-CG1 4.25Å; F397-V403 WeakPolarHBondContact O-CG1 3.38Å; F397-F407 HydrophobicContact CE1-CE2 4.29Å; F397-F407 AromaticContact CE2-CE2 3.76Å; F397-F407 HydrophobicContact CE2-CE2 3.76Å; F397-F407 HydrophobicContact CE2-CZ 4.16Å; F397-F407 AromaticContact CZ-CE2 3.38Å; F397-F407 HydrophobicContact CZ-CE2 3.38Å; F397-F407 AromaticContact CZ-CZ 3.65Å; F397-F407 HydrophobicContact CZ-CZ 3.65Å; F397-V424 HydrophobicContact CB-CG1 4.48Å; F397-V424 HydrophobicContact CD1-CG2 4.06Å; F397-V424 HydrophobicContact CD2-CG2 4.14Å; F397-V424 HydrophobicContact CE1-CG2 4.2Å; F397-V424 HydrophobicContact CE2-CG2 4.23Å; F397-V424 HydrophobicContact CG-CG2 4Å; F397-V424 HydrophobicContact CZ-CG2 4.24Å; F397-C444 WeakPolarHBondContact CD1-O 3.39Å; F397-T445 HydrophobicContact CE1-CG2 4.4Å; F397-V447 HydrophobicContact CD1-CG1 3.66Å; F397-V447 HydrophobicContact CE1-CG1 3.32Å; F397-V447 HydrophobicContact CZ-CG1 3.97Å; F397-V485 HydrophobicContact CZ-CG1 4.29Å; F397-V485 HydrophobicContact CZ-CG2 4.42Å
398	S	96.8	Very high	97.9	Very high	38 Å²	38	25.5 Å²	25.5	27%	0.266	16%	0.158	S	C	.	.	H	α-helix	trans	-86.8	-24.3	178.7	51.8	0	0	0	0	114.1	D394 A395 A396	D394-S398 PolarHBondContact O-N 3.48Å; D394-S398 PolarHBondContact O-OG 3.33Å; A395-S398 PolarHBondContact O-OG 3.47Å; A396-S398 VanDerWaalsContact C-N 3.28Å; A396-S398 PolarHBondContact O-N 2.88Å
399	G	97	Very high	97.9	Very high	49 Å²	49	25.8 Å²	25.8	51%	0.505	16%	0.159	S	C	.	.	H	α-helix	trans	-99.5	-21	-172.6	0	0	0	0	0	116.2	A395 A396	A395-G399 PolarHBondContact O-N 3Å; A396-G399 PolarHBondContact O-N 3.18Å
400	Q	98.3	Very high	97.8	Very high	86 Å²	86	26.1 Å²	26.1	40%	0.402	16%	0.162	S	C	.	.			trans	-96.6	118.4	-176.4	-64.1	-62	-51.7	0	0	111.7	E361 A396 V402 V403	E361-Q400 HydrophobicContact CB-CB 4.09Å; E361-Q400 HydrophobicContact CB-CG 4.41Å; E361-Q400 HydrophobicContact CG-CB 3.92Å; E361-Q400 HydrophobicContact CG-CG 3.98Å; A396-Q400 HydrophobicContact CB-CG 4.4Å; A396-Q400 WeakPolarHBondContact O-CB 3.45Å; A396-Q400 WeakPolarHBondContact O-CG 3.4Å; A396-Q400 PolarHBondContact O-N 2.82Å; Q400-V402 HydrophobicContact CB-CG1 4.32Å; Q400-V402 PolarHBondContact O-N 2.75Å; Q400-V402 VanDerWaalsContact O-N 3.13Å; Q400-V403 HydrophobicContact CB-CG2 4.26Å; Q400-V403 WeakPolarHBondContact O-CB 3.29Å; Q400-V403 WeakPolarHBondContact O-CG2 3.32Å; Q400-V403 PolarHBondContact O-N 3.34Å
401	G	98	Very high	97.5	Very high	48 Å²	48	29.5 Å²	29.5	50%	0.495	18%	0.18	S	C	.	.	H	α-helix	trans	-58.5	-28	-178	0	0	0	0	0	114.8	V403 Y404 E405	G401-V403 PolarHBondContact O-N 3Å; G401-V403 VanDerWaalsContact O-N 3.17Å; G401-Y404 WeakPolarHBondContact O-CB 3.34Å; G401-Y404 PolarHBondContact O-N 3.29Å; G401-Y404 VanDerWaalsContact O-N 3.12Å; G401-E405 PolarHBondContact O-N 2.8Å
402	V	98.4	Very high	97.3	Very high	1 Å²	1	31.9 Å²	31.9	1%	0.006	19%	0.192	C	C	.	.	H	α-helix	trans	-62.7	-22.5	176.9	73.1	0	0	0	0	112.9	E361 P365 Q400 T406 Y702 A703	E361-V402 HydrophobicContact CB-CG1 3.63Å; P365-V402 HydrophobicContact CG-CG2 3.95Å; Q400-V402 HydrophobicContact CB-CG1 4.32Å; Q400-V402 PolarHBondContact O-N 2.75Å; Q400-V402 VanDerWaalsContact O-N 3.13Å; V402-T406 VanDerWaalsContact O-CB 3.32Å; V402-T406 WeakPolarHBondContact O-CB 3.27Å; V402-T406 PolarHBondContact O-N 2.88Å; V402-T406 PolarHBondContact O-OG1 3.49Å; V402-Y702 HydrophobicContact CB-CD1 3.85Å; V402-Y702 HydrophobicContact CB-CE1 3.8Å; V402-Y702 HydrophobicContact CB-CG 4.24Å; V402-Y702 HydrophobicContact CG1-CE1 4.32Å; V402-Y702 HydrophobicContact CG2-CD1 4.05Å; V402-Y702 HydrophobicContact CG2-CD2 3.94Å; V402-Y702 HydrophobicContact CG2-CE1 4.2Å; V402-Y702 HydrophobicContact CG2-CE2 4.08Å; V402-Y702 HydrophobicContact CG2-CG 3.92Å; V402-A703 HydrophobicContact CG2-CB 4.39Å
403	V	98.6	Very high	97.1	Very high	3 Å²	3	37.1 Å²	37.1	2%	0.018	23%	0.226	C	C	.	.	H	α-helix	trans	-66.9	-49.1	173.8	178.8	0	0	0	0	110.2	E361 F397 Q400 G401 E405 T406 F407 V447	E361-V403 HydrophobicContact CB-CG2 3.65Å; E361-V403 HydrophobicContact CG-CG2 3.53Å; F397-V403 HydrophobicContact CD2-CG1 3.76Å; F397-V403 HydrophobicContact CE2-CG1 3.77Å; F397-V403 HydrophobicContact CG-CG1 4.29Å; F397-V403 HydrophobicContact CZ-CG1 4.25Å; F397-V403 WeakPolarHBondContact O-CG1 3.38Å; Q400-V403 HydrophobicContact CB-CG2 4.26Å; Q400-V403 WeakPolarHBondContact O-CB 3.29Å; Q400-V403 WeakPolarHBondContact O-CG2 3.32Å; Q400-V403 PolarHBondContact O-N 3.34Å; G401-V403 PolarHBondContact O-N 3Å; G401-V403 VanDerWaalsContact O-N 3.17Å; V403-E405 PolarHBondContact O-N 3.31Å; V403-T406 PolarHBondContact O-N 3.25Å; V403-F407 HydrophobicContact CG1-CD2 3.92Å; V403-F407 HydrophobicContact CG1-CE2 3.84Å; V403-F407 WeakPolarHBondContact O-CD2 3.1Å; V403-F407 PolarHBondContact O-N 2.9Å; V403-V447 HydrophobicContact CG1-CG1 3.91Å; V403-V447 HydrophobicContact CG1-CG2 4.42Å
404	Y	98.1	Very high	96.9	Very high	109 Å²	109	38 Å²	38	43%	0.427	23%	0.23	S	C	.	.	H	α-helix	trans	-57.7	-49.3	173.5	167.3	-88.9	0	0	0	110.8	G401 T406 F407 H408 V450	G401-Y404 WeakPolarHBondContact O-CB 3.34Å; G401-Y404 PolarHBondContact O-N 3.29Å; G401-Y404 VanDerWaalsContact O-N 3.12Å; Y404-T406 VanDerWaalsContact C-N 3.28Å; Y404-T406 PolarHBondContact O-N 3.43Å; Y404-F407 PolarHBondContact O-N 2.87Å; Y404-H408 WeakPolarHBondContact O-CB 3.3Å; Y404-H408 PolarHBondContact O-N 3.34Å; Y404-V450 HydrophobicContact CD2-CB 4.39Å; Y404-V450 HydrophobicContact CD2-CG1 4.27Å; Y404-V450 HydrophobicContact CD2-CG2 4.21Å; Y404-V450 HydrophobicContact CE2-CB 4.15Å; Y404-V450 HydrophobicContact CE2-CG1 4.36Å; Y404-V450 HydrophobicContact CE2-CG2 3.5Å; Y404-V450 VanDerWaalsContact CE2-CG2 3.5Å
405	E	98.4	Very high	96.9	Very high	49 Å²	49	38.1 Å²	38.1	23%	0.229	23%	0.23	C	C	.	.	H	α-helix	trans	-59.3	-41.4	-179.9	-68.5	-177.9	-145.5	0	0	111.3	G401 V403 H408 L409 S700 A703	G401-E405 PolarHBondContact O-N 2.8Å; V403-E405 PolarHBondContact O-N 3.31Å; E405-H408 WeakPolarHBondContact O-CB 3.34Å; E405-H408 PolarHBondContact O-N 3.02Å; E405-L409 WeakPolarHBondContact O-CG 3.25Å; E405-L409 PolarHBondContact O-N 3.33Å; E405-S700 WeakPolarHBondContact OE2-CB 3.27Å; E405-S700 PolarHBondContact OE2-OG 3.49Å; E405-A703 HydrophobicContact CB-CB 3.48Å; E405-A703 VanDerWaalsContact CB-CB 3.48Å; E405-A703 PolarHBondContact OE2-N 2.81Å
406	T	98.4	Very high	96.9	Very high	8 Å²	8	37.3 Å²	37.3	5%	0.049	22%	0.222	C	C	.	.	H	α-helix	trans	-66.6	-43.8	178.5	-55.4	0	0	0	0	112.4	C364 Q368 V402 V403 Y404 H408 L409	C364-T406 HydrophobicContact CB-CG2 4.26Å; Q368-T406 HydrophobicContact CG-CG2 3.85Å; V402-T406 VanDerWaalsContact O-CB 3.32Å; V402-T406 WeakPolarHBondContact O-CB 3.27Å; V402-T406 PolarHBondContact O-N 2.88Å; V402-T406 PolarHBondContact O-OG1 3.49Å; V403-T406 PolarHBondContact O-N 3.25Å; Y404-T406 VanDerWaalsContact C-N 3.28Å; Y404-T406 PolarHBondContact O-N 3.43Å; T406-H408 VanDerWaalsContact C-N 3.25Å; T406-H408 PolarHBondContact O-N 3.5Å; T406-L409 WeakPolarHBondContact O-CB 3.34Å; T406-L409 PolarHBondContact O-N 2.79Å
407	F	97.7	Very high	96.9	Very high	1 Å²	1	37 Å²	37	0%	0.004	22%	0.219	C	C	.	.	H	α-helix	trans	-58.5	-41.3	172.6	-89.6	-68.1	0	0	0	111.2	F397 V403 Y404 L409 S410 H422 V447 A448 V450 T451 D483 V485	F397-F407 HydrophobicContact CE1-CE2 4.29Å; F397-F407 AromaticContact CE2-CE2 3.76Å; F397-F407 HydrophobicContact CE2-CE2 3.76Å; F397-F407 HydrophobicContact CE2-CZ 4.16Å; F397-F407 AromaticContact CZ-CE2 3.38Å; F397-F407 HydrophobicContact CZ-CE2 3.38Å; F397-F407 AromaticContact CZ-CZ 3.65Å; F397-F407 HydrophobicContact CZ-CZ 3.65Å; V403-F407 HydrophobicContact CG1-CD2 3.92Å; V403-F407 HydrophobicContact CG1-CE2 3.84Å; V403-F407 WeakPolarHBondContact O-CD2 3.1Å; V403-F407 PolarHBondContact O-N 2.9Å; Y404-F407 PolarHBondContact O-N 2.87Å; F407-L409 PolarHBondContact O-N 3.33Å; F407-S410 WeakPolarHBondContact O-CB 3.47Å; F407-S410 PolarHBondContact O-N 3.42Å; F407-S410 PolarHBondContact O-OG 2.63Å; F407-H422 AromaticContact CE1-CD2 3.81Å; F407-H422 AromaticContact CE1-CE1 3.74Å; F407-H422 AromaticContact CE1-NE2 3.42Å; F407-H422 WeakPolarHBondContact CE1-NE2 3.25Å; F407-H422 AromaticContact CZ-CD2 3.8Å; F407-H422 AromaticContact CZ-CE1 3.47Å; F407-H422 VanDerWaalsContact CZ-CE1 3.47Å; F407-H422 WeakPolarHBondContact CZ-CE1 3.47Å; F407-H422 AromaticContact CZ-CG 3.87Å; F407-H422 AromaticContact CZ-ND1 3.69Å; F407-H422 AromaticContact CZ-NE2 3.58Å; F407-V447 HydrophobicContact CE2-CG1 4.32Å; F407-A448 HydrophobicContact CE1-CB 3.94Å; F407-A448 HydrophobicContact CE2-CB 4.1Å; F407-A448 HydrophobicContact CZ-CB 3.7Å; F407-V450 HydrophobicContact CB-CG1 4.03Å; F407-T451 HydrophobicContact CB-CG2 4.42Å; F407-T451 WeakPolarHBondContact O-CG2 3.33Å; F407-D483 HydrophobicContact CD1-CB 4.48Å; F407-D483 HydrophobicContact CE1-CB 4.09Å; F407-V485 HydrophobicContact CE1-CG2 4.42Å; F407-V485 HydrophobicContact CZ-CG2 4Å
408	H	95.9	Very high	96.8	Very high	80 Å²	80	40.6 Å²	40.6	37%	0.37	24%	0.235	S	C	.	.	H	α-helix	trans	-63.1	-23.9	-179	-155.8	66.8	0	0	0	113.1	Y404 E405 T406	Y404-H408 WeakPolarHBondContact O-CB 3.3Å; Y404-H408 PolarHBondContact O-N 3.34Å; E405-H408 WeakPolarHBondContact O-CB 3.34Å; E405-H408 PolarHBondContact O-N 3.02Å; T406-H408 VanDerWaalsContact C-N 3.25Å; T406-H408 PolarHBondContact O-N 3.5Å
409	L	97	Very high	96.8	Very high	5 Å²	5	38.8 Å²	38.8	3%	0.026	22%	0.223	C	C	.	.	H	α-helix	trans	-76.8	-20.5	173.6	-61.5	-177.4	0	0	0	114	E405 T406 F407 D411 L412 Y415 S698 A703 V704 F707	E405-L409 WeakPolarHBondContact O-CG 3.25Å; E405-L409 PolarHBondContact O-N 3.33Å; T406-L409 WeakPolarHBondContact O-CB 3.34Å; T406-L409 PolarHBondContact O-N 2.79Å; F407-L409 PolarHBondContact O-N 3.33Å; L409-D411 PolarHBondContact O-N 3.06Å; L409-D411 VanDerWaalsContact O-N 3.08Å; L409-L412 HydrophobicContact CD2-CD1 3.77Å; L409-L412 PolarHBondContact O-N 3.5Å; L409-L412 VanDerWaalsContact O-N 3.13Å; L409-Y415 HydrophobicContact CD1-CD1 4.41Å; L409-Y415 HydrophobicContact CD2-CD1 4.36Å; L409-Y415 HydrophobicContact CD2-CD2 4.36Å; L409-Y415 HydrophobicContact CD2-CG 4.1Å; L409-S698 WeakPolarHBondContact CD2-OG 3.26Å; L409-A703 HydrophobicContact CD1-CB 3.92Å; L409-V704 HydrophobicContact CD2-CG2 4.19Å; L409-F707 HydrophobicContact CD1-CD2 4.27Å
410	S	95.4	Very high	96.9	Very high	8 Å²	8	36.5 Å²	36.5	6%	0.056	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-29.1	-168.2	63.8	0	0	0	0	114.6	F407 T416 D483	F407-S410 WeakPolarHBondContact O-CB 3.47Å; F407-S410 PolarHBondContact O-N 3.42Å; F407-S410 PolarHBondContact O-OG 2.63Å; S410-T416 WeakPolarHBondContact O-CA 3.49Å; S410-T416 WeakPolarHBondContact O-CB 3.38Å; S410-T416 PolarHBondContact O-OG1 3.29Å; S410-D483 WeakPolarHBondContact CB-OD2 3.49Å
411	D	92.6	Very high	96.9	Very high	72 Å²	72	32.4 Å²	32.4	39%	0.385	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108.8	-5.3	-177.8	-82.9	-21.4	0	0	0	114.5	L409 K482	L409-D411 PolarHBondContact O-N 3.06Å; L409-D411 VanDerWaalsContact O-N 3.08Å; D411-K482 IonicContact OD1-NZ 2.94Å; D411-K482 PolarHBondContact OD1-NZ 3.49Å; D411-K482 IonicContact OD2-NZ 3.49Å; D411-K482 PolarHBondContact OD2-NZ 2.98Å
412	L	95.9	Very high	96.9	Very high	52 Å²	52	30.3 Å²	30.3	27%	0.272	16%	0.157	S	C	.	.	S	Bend	trans	-72.9	131.9	-179.9	-60	-178.4	0	0	0	110.1	L409 S414 Y415 T416	L409-L412 HydrophobicContact CD2-CD1 3.77Å; L409-L412 PolarHBondContact O-N 3.5Å; L409-L412 VanDerWaalsContact O-N 3.13Å; L412-S414 VanDerWaalsContact C-N 3.26Å; L412-S414 PolarHBondContact O-N 3.34Å; L412-Y415 HydrophobicContact CB-CD2 3.9Å; L412-Y415 HydrophobicContact CD1-CD2 4.14Å; L412-Y415 PolarHBondContact O-N 3.29Å; L412-T416 WeakPolarHBondContact O-CB 3.5Å; L412-T416 WeakPolarHBondContact O-CG2 3.49Å; L412-T416 PolarHBondContact O-N 3.12Å
413	P	93.5	Very high	96.9	Very high	112 Å²	112	30.2 Å²	30.2	73%	0.727	16%	0.156	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.6	-38.6	-171.5	-29.9	35.2	0	0	0	115.2
414	S	94.5	Very high	96.9	Very high	39 Å²	39	30.1 Å²	30.1	27%	0.273	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.2	-10.9	-176.6	-56.8	0	0	0	0	114.3	L412 C695	L412-S414 VanDerWaalsContact C-N 3.26Å; L412-S414 PolarHBondContact O-N 3.34Å; S414-C695 VanDerWaalsContact OG-CB 3.27Å; S414-C695 WeakPolarHBondContact OG-CB 3.43Å
415	Y	97.7	Very high	97	Very high	4 Å²	4	25 Å²	25	2%	0.016	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-120.7	-23.2	-175.1	-58.4	-86.2	0	0	0	113.5	L409 L412 T417 S653 S697 V704 F707 E708	L409-Y415 HydrophobicContact CD1-CD1 4.41Å; L409-Y415 HydrophobicContact CD2-CD1 4.36Å; L409-Y415 HydrophobicContact CD2-CD2 4.36Å; L409-Y415 HydrophobicContact CD2-CG 4.1Å; L412-Y415 HydrophobicContact CB-CD2 3.9Å; L412-Y415 HydrophobicContact CD1-CD2 4.14Å; L412-Y415 PolarHBondContact O-N 3.29Å; Y415-T417 PolarHBondContact O-N 2.84Å; Y415-S653 PolarHBondContact OH-OG 2.85Å; Y415-S697 WeakPolarHBondContact OH-CA 3.01Å; Y415-S697 WeakPolarHBondContact OH-CB 3.49Å; Y415-V704 HydrophobicContact CE1-CG1 4.17Å; Y415-F707 AromaticContact CD1-CD1 3.76Å; Y415-F707 HydrophobicContact CD1-CD1 3.76Å; Y415-F707 HydrophobicContact CD1-CD2 4.19Å; Y415-F707 AromaticContact CD1-CE1 3.78Å; Y415-F707 HydrophobicContact CD1-CE1 3.78Å; Y415-F707 HydrophobicContact CD1-CE2 4.2Å; Y415-F707 AromaticContact CD1-CG 3.97Å; Y415-F707 HydrophobicContact CD1-CG 3.97Å; Y415-F707 AromaticContact CD1-CZ 3.98Å; Y415-F707 HydrophobicContact CD1-CZ 3.98Å; Y415-F707 HydrophobicContact CE1-CD1 4.17Å; Y415-F707 HydrophobicContact CE1-CE1 4.42Å; Y415-F707 VanDerWaalsContact O-CE2 3.3Å; Y415-F707 WeakPolarHBondContact O-CE2 3.38Å; Y415-F707 WeakPolarHBondContact O-CZ 3.49Å; Y415-E708 WeakPolarHBondContact CE1-OE1 3.49Å
416	T	97.2	Very high	96.9	Very high	10 Å²	10	23 Å²	23	6%	0.061	13%	0.127	C	C	.	.			trans	-55.2	130.4	-179.4	-176.2	0	0	0	0	111.6	K372 S410 L412 K418	K372-T416 WeakPolarHBondContact CD-O 3.44Å; K372-T416 PolarHBondContact NZ-O 2.98Å; S410-T416 WeakPolarHBondContact O-CA 3.49Å; S410-T416 WeakPolarHBondContact O-CB 3.38Å; S410-T416 PolarHBondContact O-OG1 3.29Å; L412-T416 WeakPolarHBondContact O-CB 3.5Å; L412-T416 WeakPolarHBondContact O-CG2 3.49Å; L412-T416 PolarHBondContact O-N 3.12Å; T416-K418 HydrophobicContact CG2-CD 4.28Å; T416-K418 PolarHBondContact OG1-N 3.39Å
417	T	97.5	Very high	96.8	Very high	1 Å²	1	23 Å²	23	1%	0.006	13%	0.126	C	C	.	.			trans	-102.3	12.9	171.9	53.6	0	0	0	0	111.7	Q368 T371 K372 Q375 Y415 R477	Q368-T417 WeakPolarHBondContact O-CG2 3.47Å; Q368-T417 VanDerWaalsContact OE1-CG2 3.23Å; Q368-T417 PolarHBondContact OE1-OG1 2.88Å; T371-T417 HydrophobicContact CG2-CG2 3.91Å; K372-T417 HydrophobicContact CB-CG2 4.14Å; Q375-T417 PolarHBondContact NE2-O 3.07Å; Y415-T417 PolarHBondContact O-N 2.84Å; T417-R477 PolarHBondContact O-NH2 3.01Å
418	K	96.6	Very high	96.7	Very high	77 Å²	77	23.2 Å²	23.2	34%	0.335	13%	0.128	S	C	.	.	S	Bend	trans	58.3	46.1	179.7	-51.4	-64.8	-174	179	0	112.6	T416 R477 G481	T416-K418 HydrophobicContact CG2-CD 4.28Å; T416-K418 PolarHBondContact OG1-N 3.39Å; K418-R477 PolarHBondContact O-NE 3.35Å; K418-G481 VanDerWaalsContact C-C 3.42Å; K418-G481 CarbonylContact C-O 3.39Å; K418-G481 WeakPolarHBondContact CA-O 3.47Å; K418-G481 CarbonylContact O-C 3.59Å; K418-G481 WeakPolarHBondContact O-CA 3.46Å
419	G	96	Very high	96.6	Very high	1 Å²	1	19.6 Å²	19.6	1%	0.01	11%	0.111	C	C	.	.			trans	93.7	125.4	173.2	0	0	0	0	0	113.9	R477 G481 D483	G419-R477 WeakPolarHBondContact O-CG 3.11Å; G419-R477 PolarHBondContact O-NE 3.41Å; G419-G481 PolarHBondContact N-O 2.84Å; G419-D483 VanDerWaalsContact CA-OD1 3.25Å; G419-D483 WeakPolarHBondContact CA-OD1 3.42Å
420	T	98.4	Very high	96.5	Very high	1 Å²	1	20.1 Å²	20.1	1%	0.006	12%	0.118	C	C	.	.			trans	-106.3	141.4	175	-55.6	0	0	0	0	110.3	Q368 S388 L390 H422 D483 V484	Q368-T420 VanDerWaalsContact NE2-CG2 3.31Å; Q368-T420 PolarHBondContact NE2-OG1 3.44Å; Q368-T420 PolarHBondContact OE1-OG1 3Å; S388-T420 WeakPolarHBondContact OG-CG2 3.35Å; S388-T420 PolarHBondContact OG-OG1 3.21Å; S388-T420 VanDerWaalsContact OG-OG1 3.13Å; L390-T420 HydrophobicContact CB-CG2 4.23Å; L390-T420 HydrophobicContact CD1-CG2 3.99Å; L390-T420 HydrophobicContact CG-CG2 3.75Å; T420-H422 WeakPolarHBondContact CB-NE2 3.46Å; T420-H422 WeakPolarHBondContact CG2-NE2 3.45Å; T420-D483 PolarHBondContact N-OD1 3.11Å; T420-D483 VanDerWaalsContact O-CA 3.3Å; T420-D483 WeakPolarHBondContact O-CA 3.3Å; T420-V484 PolarHBondContact O-N 2.95Å; T420-V484 VanDerWaalsContact O-N 3.07Å
421	I	98.7	Very high	96.6	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	115.4	167.5	-62.9	-178.5	0	0	0	108.5	V276 M387 S388 I389 L390 I423 A474 R477 V484 I486	V276-I421 HydrophobicContact CG1-CD1 3.43Å; V276-I421 VanDerWaalsContact CG1-CD1 3.43Å; V276-I421 HydrophobicContact CG1-CG2 4.35Å; V276-I421 HydrophobicContact CG2-CD1 4.48Å; V276-I421 HydrophobicContact CG2-CG2 4.35Å; M387-I421 HydrophobicContact CE-CB 4.36Å; M387-I421 HydrophobicContact CE-CD1 3.36Å; M387-I421 HydrophobicContact CE-CG1 3.67Å; S388-I421 PolarHBondContact O-N 2.98Å; I389-I421 CarbonylContact C-O 3.22Å; I389-I421 WeakPolarHBondContact CA-O 3.29Å; L390-I421 PolarHBondContact N-O 2.86Å; I421-I423 HydrophobicContact CG2-CG1 4.28Å; I421-A474 HydrophobicContact CD1-CB 4.43Å; I421-R477 HydrophobicContact CD1-CB 4.43Å; I421-R477 HydrophobicContact CG1-CB 4.24Å; I421-R477 HydrophobicContact CG1-CG 4.39Å; I421-V484 HydrophobicContact CB-CG1 4.46Å; I421-V484 HydrophobicContact CG1-CG1 3.85Å; I421-I486 HydrophobicContact CG2-CD1 4.24Å
422	H	98.8	Very high	96.7	Very high	3 Å²	3	23.5 Å²	23.5	1%	0.014	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	133.5	175.3	-61.2	-100.6	0	0	0	109.6	L390 H392 F407 T420 D483 V484 V485 I486	L390-H422 CarbonylContact O-C 3.59Å; L390-H422 VanDerWaalsContact O-CA 3.27Å; L390-H422 WeakPolarHBondContact O-CA 3.25Å; H392-H422 AromaticContact CD2-ND1 3.99Å; H392-H422 AromaticContact CE1-ND1 3.77Å; H392-H422 AromaticContact NE2-CG 3.75Å; H392-H422 AromaticContact NE2-ND1 2.95Å; H392-H422 PolarHBondContact NE2-ND1 3.18Å; F407-H422 AromaticContact CE1-CD2 3.81Å; F407-H422 AromaticContact CE1-CE1 3.74Å; F407-H422 AromaticContact CE1-NE2 3.42Å; F407-H422 WeakPolarHBondContact CE1-NE2 3.25Å; F407-H422 AromaticContact CZ-CD2 3.8Å; F407-H422 AromaticContact CZ-CE1 3.47Å; F407-H422 VanDerWaalsContact CZ-CE1 3.47Å; F407-H422 WeakPolarHBondContact CZ-CE1 3.47Å; F407-H422 AromaticContact CZ-CG 3.87Å; F407-H422 AromaticContact CZ-ND1 3.69Å; F407-H422 AromaticContact CZ-NE2 3.58Å; T420-H422 WeakPolarHBondContact CB-NE2 3.46Å; T420-H422 WeakPolarHBondContact CG2-NE2 3.45Å; H422-D483 IonicContact NE2-OD2 3.29Å; H422-D483 PolarHBondContact NE2-OD2 2.76Å; H422-V484 PolarHBondContact N-O 2.94Å; H422-V485 HydrophobicContact CB-CB 4.32Å; H422-V485 HydrophobicContact CB-CG1 4.15Å; H422-V485 HydrophobicContact CB-CG2 4.06Å; H422-V485 CarbonylContact O-C 3.5Å; H422-V485 WeakPolarHBondContact O-CA 3.34Å; H422-I486 PolarHBondContact O-N 3.22Å
423	I	98.8	Very high	96.6	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	112.1	173.5	-52.6	177.2	0	0	0	108.1	L269 M273 I389 L390 I391 H392 I421 I486 L488	L269-I423 HydrophobicContact CD1-CD1 4.45Å; L269-I423 HydrophobicContact CD1-CG2 3.73Å; M273-I423 HydrophobicContact CG-CD1 3.91Å; I389-I423 HydrophobicContact CG2-CD1 4.22Å; L390-I423 PolarHBondContact O-N 3.17Å; I391-I423 CarbonylContact C-O 3.56Å; I391-I423 VanDerWaalsContact CA-O 3.25Å; I391-I423 WeakPolarHBondContact CA-O 3.46Å; I391-I423 HydrophobicContact CG1-CB 4.28Å; H392-I423 PolarHBondContact N-O 3.32Å; I421-I423 HydrophobicContact CG2-CG1 4.28Å; I423-I486 CarbonylContact C-O 3.49Å; I423-I486 WeakPolarHBondContact CA-O 3.02Å; I423-I486 HydrophobicContact CG1-CB 4.44Å; I423-I486 HydrophobicContact CG1-CD1 4.36Å; I423-L488 HydrophobicContact CG2-CD1 3.57Å; I423-L488 HydrophobicContact CG2-CG 3.97Å
424	V	98.7	Very high	96.5	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	119.5	176.3	-171.4	0	0	0	0	108.6	H392 D394 F397 N426 T445 V485 I486 L488	H392-V424 HydrophobicContact CB-CG2 4.28Å; D394-V424 HydrophobicContact CB-CG1 4.33Å; F397-V424 HydrophobicContact CB-CG1 4.48Å; F397-V424 HydrophobicContact CD1-CG2 4.06Å; F397-V424 HydrophobicContact CD2-CG2 4.14Å; F397-V424 HydrophobicContact CE1-CG2 4.2Å; F397-V424 HydrophobicContact CE2-CG2 4.23Å; F397-V424 HydrophobicContact CG-CG2 4Å; F397-V424 HydrophobicContact CZ-CG2 4.24Å; V424-N426 VanDerWaalsContact C-N 3.27Å; V424-N426 HydrophobicContact CG1-CB 4.3Å; V424-N426 PolarHBondContact O-N 3.13Å; V424-N426 VanDerWaalsContact O-N 3.08Å; V424-T445 HydrophobicContact CG2-CG2 4.08Å; V424-V485 HydrophobicContact CG2-CG1 3.87Å; V424-I486 PolarHBondContact N-O 2.85Å; V424-L488 PolarHBondContact O-N 2.73Å
425	V	98.5	Very high	96.3	Very high	1 Å²	1	17.5 Å²	17.5	1%	0.006	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	80.5	171.3	-179.2	0	0	0	0	107.6	C266 L269 R295 I391 H392 N427	C266-V425 HydrophobicContact CB-CG1 4.03Å; L269-V425 HydrophobicContact CD1-CG2 4.34Å; L269-V425 HydrophobicContact CD2-CG2 3.98Å; R295-V425 HydrophobicContact CG-CG1 3.98Å; I391-V425 HydrophobicContact CG2-CG2 4.03Å; H392-V425 PolarHBondContact O-N 3.17Å; V425-N427 VanDerWaalsContact C-N 3.35Å; V425-N427 PolarHBondContact O-N 2.98Å; V425-N427 PolarHBondContact O-ND2 3.02Å
426	N	97.7	Very high	95.9	Very high	9 Å²	9	24.4 Å²	24.4	5%	0.048	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	82.2	-174.9	178.3	7.9	0	0	0	110.9	D394 V424 Q428 D487 L488 C490	D394-N426 HydrophobicContact CB-CB 4.05Å; V424-N426 VanDerWaalsContact C-N 3.27Å; V424-N426 HydrophobicContact CG1-CB 4.3Å; V424-N426 PolarHBondContact O-N 3.13Å; V424-N426 VanDerWaalsContact O-N 3.08Å; N426-Q428 PolarHBondContact O-N 2.93Å; N426-Q428 PolarHBondContact OD1-N 2.81Å; N426-D487 WeakPolarHBondContact CB-OD1 3.36Å; N426-D487 PolarHBondContact ND2-OD1 2.81Å; N426-D487 PolarHBondContact ND2-OD2 2.71Å; N426-L488 PolarHBondContact N-O 2.95Å; N426-C490 PolarHBondContact O-N 3.37Å; N426-C490 PolarHBondContact O-SG 2.98Å; N426-C490 VanDerWaalsContact O-SG 3.37Å
427	N	96.2	Very high	95.6	Very high	7 Å²	7	31.1 Å²	31.1	4%	0.037	15%	0.152	C	C	.	.			trans	-85.8	14	-179.9	60.3	109.5	0	0	0	112.4	R295 D394 V425 I429 C490 R492	R295-N427 VanDerWaalsContact NH2-CB 3.28Å; R295-N427 PolarHBondContact NH2-ND2 2.72Å; R295-N427 PolarHBondContact NH2-OD1 3.32Å; D394-N427 PolarHBondContact OD1-N 3.23Å; D394-N427 PolarHBondContact OD1-ND2 3.37Å; D394-N427 VanDerWaalsContact OD1-ND2 3.12Å; V425-N427 VanDerWaalsContact C-N 3.35Å; V425-N427 PolarHBondContact O-N 2.98Å; V425-N427 PolarHBondContact O-ND2 3.02Å; N427-I429 PolarHBondContact O-N 3.16Å; N427-I429 VanDerWaalsContact O-N 3.17Å; N427-I429 VanDerWaalsContact OD1-CG2 3.29Å; N427-I429 WeakPolarHBondContact OD1-CG2 3.21Å; N427-I429 PolarHBondContact OD1-O 2.87Å; N427-C490 VanDerWaalsContact CA-SG 3.52Å; N427-R492 HydrophobicContact CB-CB 4.31Å
428	Q	94.9	Very high	95.3	Very high	6 Å²	6	32.5 Å²	32.5	3%	0.028	16%	0.164	C	C	.	.	S	Bend	trans	61	22.8	174.2	-51.5	174.4	56.2	0	0	113.8	D136 L141 N426 P435 V489 C490 M509	D136-Q428 PolarHBondContact OD1-NE2 3.3Å; D136-Q428 PolarHBondContact OD1-OE1 2.88Å; L141-Q428 HydrophobicContact CD1-CB 3.99Å; L141-Q428 HydrophobicContact CD1-CG 4.33Å; N426-Q428 PolarHBondContact O-N 2.93Å; N426-Q428 PolarHBondContact OD1-N 2.81Å; Q428-P435 HydrophobicContact CB-CG 4.34Å; Q428-P435 WeakPolarHBondContact O-CD 3.45Å; Q428-P435 WeakPolarHBondContact O-CG 3.4Å; Q428-V489 HydrophobicContact CG-CG1 4.42Å; Q428-C490 PolarHBondContact NE2-O 2.92Å; Q428-M509 HydrophobicContact CB-CE 4.19Å; Q428-M509 WeakPolarHBondContact O-CE 3.18Å
429	I	95.1	Very high	95.1	Very high	3 Å²	3	30.4 Å²	30.4	2%	0.015	15%	0.154	C	C	.	.			trans	-160.5	130.3	-179.6	-167.5	177.9	0	0	0	112.6	D394 N427 F431 Q506 M509 Y510	D394-I429 PolarHBondContact OD2-N 3.31Å; N427-I429 PolarHBondContact O-N 3.16Å; N427-I429 VanDerWaalsContact O-N 3.17Å; N427-I429 VanDerWaalsContact OD1-CG2 3.29Å; N427-I429 WeakPolarHBondContact OD1-CG2 3.21Å; N427-I429 PolarHBondContact OD1-O 2.87Å; I429-F431 VanDerWaalsContact CD1-O 3.29Å; I429-F431 WeakPolarHBondContact CD1-O 3.43Å; I429-Q506 HydrophobicContact CD1-CB 4.42Å; I429-Q506 HydrophobicContact CD1-CG 3.62Å; I429-M509 HydrophobicContact CB-SD 4.36Å; I429-M509 HydrophobicContact CD1-SD 4.42Å; I429-Y510 HydrophobicContact CD1-CE2 4.44Å
430	G	94.9	Very high	94.9	Very high	17 Å²	17	37 Å²	37	18%	0.175	20%	0.2	C	C	.	.	B	Isolated β-bridge	trans	-101.2	97.9	170.3	0	0	0	0	0	111.4	T432 T433	G430-T432 VanDerWaalsContact C-N 3.34Å; G430-T432 PolarHBondContact O-N 3.36Å; G430-T433 PolarHBondContact N-O 3.38Å; G430-T433 WeakPolarHBondContact O-CB 3.24Å; G430-T433 PolarHBondContact O-N 3.12Å
431	F	96.2	Very high	94.6	Very high	102 Å²	102	38.7 Å²	38.7	45%	0.447	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	59	-89.8	-170.3	-162.4	-78.6	0	0	0	111.1	I429 R492 H496	I429-F431 VanDerWaalsContact CD1-O 3.29Å; I429-F431 WeakPolarHBondContact CD1-O 3.43Å; F431-R492 PolarHBondContact O-NH2 3.34Å; F431-H496 HydrophobicContact CD2-CB 3.91Å; F431-H496 AromaticContact CD2-CD2 3.14Å; F431-H496 WeakPolarHBondContact CD2-CD2 3.3Å; F431-H496 AromaticContact CD2-CG 3.36Å; F431-H496 AromaticContact CD2-ND1 3.92Å; F431-H496 AromaticContact CD2-NE2 3.6Å; F431-H496 HydrophobicContact CE2-CB 4.12Å; F431-H496 AromaticContact CE2-CD2 3.3Å; F431-H496 WeakPolarHBondContact CE2-CD2 3.37Å; F431-H496 AromaticContact CE2-CG 3.8Å; F431-H496 HydrophobicContact CG-CB 4.17Å; F431-H496 AromaticContact CG-CG 3.93Å
432	T	95.8	Very high	94.1	Very high	48 Å²	48	40.8 Å²	40.8	29%	0.294	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-118.1	-8.1	175.1	52.6	0	0	0	0	113.1	G430 T505 Q506	G430-T432 VanDerWaalsContact C-N 3.34Å; G430-T432 PolarHBondContact O-N 3.36Å; T432-T505 HydrophobicContact CG2-CG2 3.95Å; T432-Q506 PolarHBondContact O-NE2 3.29Å
433	T	94	Very high	93.9	Very high	61 Å²	61	41.1 Å²	41.1	37%	0.374	23%	0.226	S	C	.	.	B	Isolated β-bridge	trans	-85.6	129.3	-171.8	-53.2	0	0	0	0	111.5	G430 M437 A438	G430-T433 PolarHBondContact N-O 3.38Å; G430-T433 WeakPolarHBondContact O-CB 3.24Å; G430-T433 PolarHBondContact O-N 3.12Å; T433-M437 HydrophobicContact CG2-CB 3.9Å; T433-A438 HydrophobicContact CG2-CB 4.22Å
434	D	90.4	Very high	93.8	Very high	15 Å²	15	41.1 Å²	41.1	8%	0.08	23%	0.227	C	C	.	.			trans	-74	144.6	176.2	-177	-61.8	0	0	0	111.2	R436 M437 A438	D434-R436 HydrophobicContact CB-CG 4.36Å; D434-R436 PolarHBondContact O-N 2.88Å; D434-R436 VanDerWaalsContact O-N 3.12Å; D434-R436 WeakPolarHBondContact OD1-CB 3.47Å; D434-R436 VanDerWaalsContact OD1-CG 3.25Å; D434-R436 WeakPolarHBondContact OD1-CG 3.25Å; D434-R436 IonicContact OD1-CZ 3.91Å; D434-R436 PolarHBondContact OD1-N 3Å; D434-R436 IonicContact OD1-NE 2.63Å; D434-R436 PolarHBondContact OD1-NE 3.35Å; D434-R436 IonicContact OD1-NH2 3.92Å; D434-R436 IonicContact OD2-CZ 3.33Å; D434-R436 IonicContact OD2-NE 3.33Å; D434-R436 PolarHBondContact OD2-NE 3.21Å; D434-R436 IonicContact OD2-NH2 2.8Å; D434-R436 PolarHBondContact OD2-NH2 3.02Å; D434-M437 WeakPolarHBondContact O-CA 3.42Å; D434-M437 PolarHBondContact O-N 2.96Å; D434-A438 PolarHBondContact O-N 3.46Å
435	P	91	Very high	93.7	Very high	1 Å²	1	41.1 Å²	41.1	1%	0.006	23%	0.227	C	C	.	.	H	α-helix	trans	-37.3	-46.1	169.6	-40.7	42.5	0	0	0	115.6	L141 L145 Q428 M437 A438 R439	L141-P435 HydrophobicContact CD1-CB 4.34Å; L141-P435 HydrophobicContact CD1-CG 3.83Å; L145-P435 HydrophobicContact CD2-CB 4.19Å; Q428-P435 HydrophobicContact CB-CG 4.34Å; Q428-P435 WeakPolarHBondContact O-CD 3.45Å; Q428-P435 WeakPolarHBondContact O-CG 3.4Å; P435-M437 PolarHBondContact O-N 2.88Å; P435-M437 VanDerWaalsContact O-N 3.1Å; P435-A438 PolarHBondContact O-N 2.97Å; P435-R439 WeakPolarHBondContact O-CG 3.45Å; P435-R439 PolarHBondContact O-N 3.25Å
436	R	88.8	Confident	93.6	Very high	150 Å²	150	42.3 Å²	42.3	57%	0.566	23%	0.233	S	C	*	.	H	α-helix	trans	-64.1	-16.2	-179	82.7	-170.2	82	-167.5	6.3	114.1	L145 D434	L145-R436 HydrophobicContact CD1-CB 4.36Å; D434-R436 HydrophobicContact CB-CG 4.36Å; D434-R436 PolarHBondContact O-N 2.88Å; D434-R436 VanDerWaalsContact O-N 3.12Å; D434-R436 WeakPolarHBondContact OD1-CB 3.47Å; D434-R436 VanDerWaalsContact OD1-CG 3.25Å; D434-R436 WeakPolarHBondContact OD1-CG 3.25Å; D434-R436 IonicContact OD1-CZ 3.91Å; D434-R436 PolarHBondContact OD1-N 3Å; D434-R436 IonicContact OD1-NE 2.63Å; D434-R436 PolarHBondContact OD1-NE 3.35Å; D434-R436 IonicContact OD1-NH2 3.92Å; D434-R436 IonicContact OD2-CZ 3.33Å; D434-R436 IonicContact OD2-NE 3.33Å; D434-R436 PolarHBondContact OD2-NE 3.21Å; D434-R436 IonicContact OD2-NH2 2.8Å; D434-R436 PolarHBondContact OD2-NH2 3.02Å
437	M	90.4	Very high	93.5	Very high	150 Å²	150	43.5 Å²	43.5	74%	0.739	24%	0.24	S	C	*	.	H	α-helix	trans	-110.3	-12.3	177.4	-53.9	-62	-92.7	0	0	112.3	T433 D434 P435	T433-M437 HydrophobicContact CG2-CB 3.9Å; D434-M437 WeakPolarHBondContact O-CA 3.42Å; D434-M437 PolarHBondContact O-N 2.96Å; P435-M437 PolarHBondContact O-N 2.88Å; P435-M437 VanDerWaalsContact O-N 3.1Å
438	A	91.3	Very high	93.6	Very high	31 Å²	31	43.2 Å²	43.2	26%	0.256	24%	0.239	S	C	.	.	H	α-helix	trans	-91.8	-24	-177.9	0	0	0	0	0	113.1	A395 T433 D434 P435	A395-A438 HydrophobicContact CB-CB 4.5Å; T433-A438 HydrophobicContact CG2-CB 4.22Å; D434-A438 PolarHBondContact O-N 3.46Å; P435-A438 PolarHBondContact O-N 2.97Å
439	R	92.2	Very high	93.6	Very high	33 Å²	33	47.1 Å²	47.1	13%	0.125	25%	0.253	C	S	.	.			trans	-147.6	160.7	-177.3	60.5	178.1	-178.3	-89.2	3.9	112.4	P435 S441 P442	P435-R439 WeakPolarHBondContact O-CG 3.45Å; P435-R439 PolarHBondContact O-N 3.25Å; R439-S441 WeakPolarHBondContact CD-O 3.44Å; R439-S441 PolarHBondContact NE-O 3.11Å; R439-P442 PolarHBondContact NE-O 3.09Å; R439-P442 VanDerWaalsContact NE-O 3.07Å; R439-P442 PolarHBondContact NH2-O 3.32Å
440	S	91.8	Very high	93.5	Very high	139 Å²	139	50 Å²	50	97%	0.972	27%	0.27	S	S	*	.	S	Bend	trans	-106.8	22	-179.8	-59.8	0	0	0	0	113.3
441	S	91.5	Very high	93.5	Very high	36 Å²	36	50 Å²	50	25%	0.252	27%	0.267	S	S	.	.	S	Bend	trans	-140.6	159.1	-179.5	72.3	0	0	0	0	110.5	R439 Y443 D446	R439-S441 WeakPolarHBondContact CD-O 3.44Å; R439-S441 PolarHBondContact NE-O 3.11Å; S441-Y443 PolarHBondContact O-N 3.39Å; S441-Y443 PolarHBondContact OG-O 3.15Å; S441-Y443 VanDerWaalsContact OG-O 3.1Å; S441-D446 WeakPolarHBondContact CB-OD2 3.39Å; S441-D446 WeakPolarHBondContact OG-CB 3.28Å; S441-D446 PolarHBondContact OG-OD2 3.47Å
442	P	89.2	Confident	93.4	Very high	45 Å²	45	48.2 Å²	48.2	29%	0.292	26%	0.262	S	S	.	.	S	Bend	trans	-49.8	-56.2	179.3	-33.7	40.8	0	0	0	113.5	A143 R439	A143-P442 CarbonylContact O-C 3.46Å; R439-P442 PolarHBondContact NE-O 3.09Å; R439-P442 VanDerWaalsContact NE-O 3.07Å; R439-P442 PolarHBondContact NH2-O 3.32Å
443	Y	94.6	Very high	93.4	Very high	9 Å²	9	46 Å²	46	4%	0.035	25%	0.249	C	C	.	.	S	Bend	trans	-105.1	146.3	-172.3	-57.5	-78.6	0	0	0	111.3	H130 A143 S441 T445 D446 H457	H130-Y443 AromaticContact CE1-CE2 3.73Å; H130-Y443 AromaticContact ND1-CE2 3.5Å; H130-Y443 AromaticContact ND1-CZ 3.47Å; H130-Y443 PolarHBondContact ND1-OH 3.39Å; H130-Y443 PolarHBondContact O-OH 2.79Å; A143-Y443 HydrophobicContact CB-CE1 3.59Å; A143-Y443 WeakPolarHBondContact CB-OH 3.3Å; S441-Y443 PolarHBondContact O-N 3.39Å; S441-Y443 PolarHBondContact OG-O 3.15Å; S441-Y443 VanDerWaalsContact OG-O 3.1Å; Y443-T445 WeakPolarHBondContact CB-OG1 3.17Å; Y443-T445 PolarHBondContact O-N 2.82Å; Y443-D446 PolarHBondContact N-OD2 3.01Å; Y443-D446 PolarHBondContact O-N 3.4Å; Y443-D446 VanDerWaalsContact O-OD2 3.08Å; Y443-H457 AromaticContact CD1-CE1 3.24Å; Y443-H457 WeakPolarHBondContact CD1-CE1 3.41Å; Y443-H457 AromaticContact CD1-ND1 3.63Å; Y443-H457 AromaticContact CD1-NE2 3.87Å; Y443-H457 AromaticContact CE1-CE1 3.7Å; Y443-H457 AromaticContact CE1-ND1 3.96Å; Y443-H457 AromaticContact CE1-NE2 3.93Å; Y443-H457 AromaticContact CG-CE1 3.47Å; Y443-H457 VanDerWaalsContact CG-CE1 3.47Å
444	C	95.9	Very high	93.6	Very high	1 Å²	1	43.1 Å²	43.1	1%	0.007	23%	0.232	C	C	.	.	G	3₁₀ helix	trans	-62.2	-24.3	171	64.7	0	0	0	0	111.6	D394 F397 D446	D394-C444 HydrophobicContact CB-CB 3.95Å; F397-C444 WeakPolarHBondContact CD1-O 3.39Å; C444-D446 VanDerWaalsContact C-N 3.34Å; C444-D446 PolarHBondContact O-N 2.81Å
445	T	97.7	Very high	94	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	23%	0.228	C	C	.	.	G	3₁₀ helix	trans	-80.2	-5.8	-175.7	50.7	0	0	0	0	115.7	F397 V424 Y443 V447 A448 I455 H457 V485 D487	F397-T445 HydrophobicContact CE1-CG2 4.4Å; V424-T445 HydrophobicContact CG2-CG2 4.08Å; Y443-T445 WeakPolarHBondContact CB-OG1 3.17Å; Y443-T445 PolarHBondContact O-N 2.82Å; T445-V447 PolarHBondContact O-N 2.87Å; T445-A448 VanDerWaalsContact O-CB 3.3Å; T445-A448 WeakPolarHBondContact O-CB 3.34Å; T445-A448 PolarHBondContact O-N 3.39Å; T445-I455 HydrophobicContact CG2-CG2 4.29Å; T445-I455 WeakPolarHBondContact OG1-CG2 3.32Å; T445-H457 PolarHBondContact OG1-CE1 2.9Å; T445-V485 HydrophobicContact CG2-CG1 3.52Å; T445-D487 HydrophobicContact CG2-CB 3.76Å
446	D	96.1	Very high	94.4	Very high	25 Å²	25	42.4 Å²	42.4	13%	0.134	23%	0.227	C	C	.	.	G	3₁₀ helix	trans	-61.4	-22	-171.5	-72.8	-36.2	0	0	0	114.1	S441 Y443 C444 A448 R449	S441-D446 WeakPolarHBondContact CB-OD2 3.39Å; S441-D446 WeakPolarHBondContact OG-CB 3.28Å; S441-D446 PolarHBondContact OG-OD2 3.47Å; Y443-D446 PolarHBondContact N-OD2 3.01Å; Y443-D446 PolarHBondContact O-N 3.4Å; Y443-D446 VanDerWaalsContact O-OD2 3.08Å; C444-D446 VanDerWaalsContact C-N 3.34Å; C444-D446 PolarHBondContact O-N 2.81Å; D446-A448 PolarHBondContact O-N 3.04Å; D446-R449 WeakPolarHBondContact O-CB 3.2Å; D446-R449 WeakPolarHBondContact O-CG 3.31Å; D446-R449 PolarHBondContact O-N 3.32Å; D446-R449 VanDerWaalsContact O-N 3.07Å; D446-R449 IonicContact OD1-CZ 3.72Å; D446-R449 IonicContact OD1-NE 3.39Å; D446-R449 PolarHBondContact OD1-NE 3.4Å; D446-R449 IonicContact OD1-NH2 3.98Å; D446-R449 PolarHBondContact OD1-NH2 3.39Å
447	V	96.3	Very high	94.8	Very high	35 Å²	35	35.2 Å²	35.2	21%	0.212	20%	0.2	C	C	.	.	G	3₁₀ helix	trans	-57.2	-30.2	172	66.5	0	0	0	0	112.4	F397 V403 F407 T445 R449 V450	F397-V447 HydrophobicContact CD1-CG1 3.66Å; F397-V447 HydrophobicContact CE1-CG1 3.32Å; F397-V447 HydrophobicContact CZ-CG1 3.97Å; V403-V447 HydrophobicContact CG1-CG1 3.91Å; V403-V447 HydrophobicContact CG1-CG2 4.42Å; F407-V447 HydrophobicContact CE2-CG1 4.32Å; T445-V447 PolarHBondContact O-N 2.87Å; V447-R449 PolarHBondContact O-N 3.25Å; V447-V450 VanDerWaalsContact O-CG1 3.25Å; V447-V450 WeakPolarHBondContact O-CG1 3.49Å; V447-V450 PolarHBondContact O-N 3.19Å
448	A	96.9	Very high	95.1	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	17%	0.165	C	C	.	.	G	3₁₀ helix	trans	-72.1	-13	179.6	0	0	0	0	0	113.6	F407 T445 D446 V450 T451 S453 I455 V485	F407-A448 HydrophobicContact CE1-CB 3.94Å; F407-A448 HydrophobicContact CE2-CB 4.1Å; F407-A448 HydrophobicContact CZ-CB 3.7Å; T445-A448 VanDerWaalsContact O-CB 3.3Å; T445-A448 WeakPolarHBondContact O-CB 3.34Å; T445-A448 PolarHBondContact O-N 3.39Å; D446-A448 PolarHBondContact O-N 3.04Å; A448-V450 PolarHBondContact O-N 3.41Å; A448-T451 PolarHBondContact O-N 2.98Å; A448-S453 WeakPolarHBondContact O-CB 3.26Å; A448-S453 PolarHBondContact O-N 2.93Å; A448-S453 PolarHBondContact O-OG 3.48Å; A448-I455 HydrophobicContact CB-CD1 4.35Å; A448-I455 HydrophobicContact CB-CG1 4.42Å; A448-V485 HydrophobicContact CB-CG2 3.53Å
449	R	95.1	Very high	95.5	Very high	89 Å²	89	27.1 Å²	27.1	34%	0.336	16%	0.156	S	C	.	.	G	3₁₀ helix	trans	-67	-21.2	176	-61.6	-174.8	-167.6	-152.5	6.2	112.4	E204 F207 D446 V447 T451 N452 I455	E204-R449 IonicContact OE1-CZ 3.67Å; E204-R449 IonicContact OE1-NH1 2.6Å; E204-R449 IonicContact OE1-NH2 3.98Å; E204-R449 PolarHBondContact OE1-NH2 3.25Å; E204-R449 IonicContact OE2-NH2 2.94Å; E204-R449 PolarHBondContact OE2-NH2 2.89Å; F207-R449 HydrophobicContact CD1-CG 4.44Å; F207-R449 HydrophobicContact CE1-CG 4.07Å; F207-R449 HydrophobicContact CE2-CG 4.46Å; F207-R449 HydrophobicContact CZ-CG 4.09Å; D446-R449 WeakPolarHBondContact O-CB 3.2Å; D446-R449 WeakPolarHBondContact O-CG 3.31Å; D446-R449 PolarHBondContact O-N 3.32Å; D446-R449 VanDerWaalsContact O-N 3.07Å; D446-R449 IonicContact OD1-CZ 3.72Å; D446-R449 IonicContact OD1-NE 3.39Å; D446-R449 PolarHBondContact OD1-NE 3.4Å; D446-R449 IonicContact OD1-NH2 3.98Å; D446-R449 PolarHBondContact OD1-NH2 3.39Å; V447-R449 PolarHBondContact O-N 3.25Å; R449-T451 PolarHBondContact O-N 3.08Å; R449-T451 VanDerWaalsContact O-N 3.17Å; R449-N452 PolarHBondContact O-N 3.21Å; R449-I455 HydrophobicContact CG-CD1 3.93Å
450	V	94.1	Very high	95.7	Very high	62 Å²	62	25.6 Å²	25.6	38%	0.376	15%	0.15	S	C	.	.	G	3₁₀ helix	trans	-55.8	-33.7	178.8	70.6	0	0	0	0	112.7	Y404 F407 V447 A448	Y404-V450 HydrophobicContact CD2-CB 4.39Å; Y404-V450 HydrophobicContact CD2-CG1 4.27Å; Y404-V450 HydrophobicContact CD2-CG2 4.21Å; Y404-V450 HydrophobicContact CE2-CB 4.15Å; Y404-V450 HydrophobicContact CE2-CG1 4.36Å; Y404-V450 HydrophobicContact CE2-CG2 3.5Å; Y404-V450 VanDerWaalsContact CE2-CG2 3.5Å; F407-V450 HydrophobicContact CB-CG1 4.03Å; V447-V450 VanDerWaalsContact O-CG1 3.25Å; V447-V450 WeakPolarHBondContact O-CG1 3.49Å; V447-V450 PolarHBondContact O-N 3.19Å; A448-V450 PolarHBondContact O-N 3.41Å
451	T	93.7	Very high	96	Very high	18 Å²	18	19.8 Å²	19.8	11%	0.11	11%	0.108	C	C	.	.	G	3₁₀ helix	trans	-107.1	13.3	178.8	50.7	0	0	0	0	113.5	F407 A448 R449 S453	F407-T451 HydrophobicContact CB-CG2 4.42Å; F407-T451 WeakPolarHBondContact O-CG2 3.33Å; A448-T451 PolarHBondContact O-N 2.98Å; R449-T451 PolarHBondContact O-N 3.08Å; R449-T451 VanDerWaalsContact O-N 3.17Å; T451-S453 PolarHBondContact O-N 2.98Å; T451-S453 PolarHBondContact OG1-OG 3.44Å
452	N	94.8	Very high	96.3	Very high	64 Å²	64	19 Å²	19	34%	0.342	10%	0.101	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.8	40.9	-174.2	-56.6	-63.4	0	0	0	112.8	F207 R449	F207-N452 HydrophobicContact CD2-CB 4.37Å; F207-N452 PolarHBondContact O-OD1 3.46Å; R449-N452 PolarHBondContact O-N 3.21Å
453	S	96.5	Very high	96.7	Very high	3 Å²	3	17 Å²	17	2%	0.021	9%	0.088	C	C	.	.			trans	-70.7	146.5	176.7	-57.1	0	0	0	0	110.8	F207 A448 T451	F207-S453 VanDerWaalsContact CE2-O 3.24Å; F207-S453 WeakPolarHBondContact CE2-O 3.44Å; F207-S453 VanDerWaalsContact CZ-O 3.23Å; F207-S453 WeakPolarHBondContact CZ-O 3.31Å; A448-S453 WeakPolarHBondContact O-CB 3.26Å; A448-S453 PolarHBondContact O-N 2.93Å; A448-S453 PolarHBondContact O-OG 3.48Å; T451-S453 PolarHBondContact O-N 2.98Å; T451-S453 PolarHBondContact OG1-OG 3.44Å
454	L	98	Very high	96.8	Very high	0 Å²	0	18 Å²	18	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	132.1	174.4	173.2	57	0	0	0	109.8	I203 I208 I217 L456 W476 D483 V484 V485	I203-L454 HydrophobicContact CG2-CD1 4.45Å; I208-L454 HydrophobicContact CD1-CB 4.38Å; I217-L454 HydrophobicContact CD1-CD1 3.64Å; I217-L454 HydrophobicContact CD1-CD2 4.18Å; I217-L454 HydrophobicContact CD1-CG 4.42Å; I217-L454 HydrophobicContact CG1-CD1 4.34Å; I217-L454 HydrophobicContact CG1-CD2 4.22Å; L454-L456 HydrophobicContact CD1-CD2 3.82Å; L454-L456 HydrophobicContact CD1-CG 4.35Å; L454-L456 HydrophobicContact CD2-CD1 4.2Å; L454-L456 HydrophobicContact CD2-CD2 4.23Å; L454-L456 HydrophobicContact CD2-CG 4.31Å; L454-L456 HydrophobicContact CG-CD1 4.4Å; L454-L456 HydrophobicContact CG-CD2 3.99Å; L454-L456 HydrophobicContact CG-CG 4.01Å; L454-W476 HydrophobicContact CB-CD2 4Å; L454-W476 HydrophobicContact CB-CE3 4.4Å; L454-W476 HydrophobicContact CB-CH2 4.21Å; L454-W476 HydrophobicContact CB-CZ2 3.79Å; L454-W476 HydrophobicContact CD2-CB 4.25Å; L454-W476 HydrophobicContact CD2-CD2 3.66Å; L454-W476 HydrophobicContact CD2-CE3 3.67Å; L454-W476 HydrophobicContact CD2-CG 3.94Å; L454-W476 HydrophobicContact CD2-CZ3 4.25Å; L454-D483 PolarHBondContact N-O 3.33Å; L454-V484 HydrophobicContact CB-CB 4.33Å; L454-V484 HydrophobicContact CB-CG2 4Å; L454-V484 HydrophobicContact CD2-CG2 4.09Å; L454-V484 HydrophobicContact CG-CG2 3.98Å; L454-V484 CarbonylContact O-C 3.1Å; L454-V484 WeakPolarHBondContact O-CA 3.41Å; L454-V485 PolarHBondContact O-N 2.76Å
455	I	98.4	Very high	96.9	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	125.4	177.9	-55.6	171	0	0	0	108.9	E204 F207 T445 A448 R449 H457 V485	E204-I455 HydrophobicContact CB-CB 4.18Å; E204-I455 PolarHBondContact N-O 2.77Å; E204-I455 PolarHBondContact O-N 2.7Å; F207-I455 HydrophobicContact CE1-CD1 4.31Å; F207-I455 HydrophobicContact CZ-CD1 3.97Å; F207-I455 HydrophobicContact CZ-CG1 4.23Å; T445-I455 HydrophobicContact CG2-CG2 4.29Å; T445-I455 WeakPolarHBondContact OG1-CG2 3.32Å; A448-I455 HydrophobicContact CB-CD1 4.35Å; A448-I455 HydrophobicContact CB-CG1 4.42Å; R449-I455 HydrophobicContact CG-CD1 3.93Å; I455-H457 WeakPolarHBondContact CG2-NE2 3.49Å; I455-V485 HydrophobicContact CG1-CB 4.46Å
456	L	98.4	Very high	96.9	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	111	-178.5	-56.2	176	0	0	0	108.8	I203 F221 L454 V469 V472 V484 V485 I486 D487	I203-L456 HydrophobicContact CB-CD2 4.46Å; I203-L456 HydrophobicContact CG1-CD2 4.37Å; I203-L456 HydrophobicContact CG2-CD2 3.81Å; F221-L456 HydrophobicContact CE2-CD2 3.9Å; F221-L456 HydrophobicContact CZ-CD1 4.18Å; F221-L456 HydrophobicContact CZ-CD2 3.67Å; L454-L456 HydrophobicContact CD1-CD2 3.82Å; L454-L456 HydrophobicContact CD1-CG 4.35Å; L454-L456 HydrophobicContact CD2-CD1 4.2Å; L454-L456 HydrophobicContact CD2-CD2 4.23Å; L454-L456 HydrophobicContact CD2-CG 4.31Å; L454-L456 HydrophobicContact CG-CD1 4.4Å; L454-L456 HydrophobicContact CG-CD2 3.99Å; L454-L456 HydrophobicContact CG-CG 4.01Å; L456-V469 HydrophobicContact CB-CG1 3.53Å; L456-V469 HydrophobicContact CB-CG2 4.4Å; L456-V469 HydrophobicContact CD1-CG1 3.78Å; L456-V469 HydrophobicContact CG-CG1 4.28Å; L456-V472 HydrophobicContact CD1-CG1 4.43Å; L456-V484 HydrophobicContact CD1-CG2 4.14Å; L456-V484 HydrophobicContact CG-CG2 4.48Å; L456-V485 PolarHBondContact N-O 2.89Å; L456-I486 CarbonylContact O-C 3.58Å; L456-I486 WeakPolarHBondContact O-CA 3.28Å; L456-D487 PolarHBondContact O-N 2.61Å
457	H	98	Very high	97	Very high	0 Å²	0	18 Å²	18	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	135.6	173.9	-46.9	-89.2	0	0	0	109.5	L135 I201 G202 E204 Y443 T445 I455 D487	L135-H457 HydrophobicContact CD1-CB 3.6Å; L135-H457 HydrophobicContact CD2-CB 3.79Å; L135-H457 HydrophobicContact CG-CB 4.33Å; I201-H457 CarbonylContact C-O 2.93Å; I201-H457 VanDerWaalsContact CA-O 3.31Å; I201-H457 WeakPolarHBondContact CA-O 3.29Å; G202-H457 PolarHBondContact N-O 2.94Å; G202-H457 PolarHBondContact O-CD2 3.28Å; G202-H457 PolarHBondContact O-N 2.61Å; E204-H457 WeakPolarHBondContact CG-NE2 3.48Å; E204-H457 IonicContact OE2-CE1 3.18Å; E204-H457 IonicContact OE2-NE2 2.64Å; E204-H457 PolarHBondContact OE2-NE2 3.12Å; Y443-H457 AromaticContact CD1-CE1 3.24Å; Y443-H457 WeakPolarHBondContact CD1-CE1 3.41Å; Y443-H457 AromaticContact CD1-ND1 3.63Å; Y443-H457 AromaticContact CD1-NE2 3.87Å; Y443-H457 AromaticContact CE1-CE1 3.7Å; Y443-H457 AromaticContact CE1-ND1 3.96Å; Y443-H457 AromaticContact CE1-NE2 3.93Å; Y443-H457 AromaticContact CG-CE1 3.47Å; Y443-H457 VanDerWaalsContact CG-CE1 3.47Å; T445-H457 PolarHBondContact OG1-CE1 2.9Å; I455-H457 WeakPolarHBondContact CG2-NE2 3.49Å; H457-D487 WeakPolarHBondContact CA-O 3.47Å; H457-D487 HydrophobicContact CB-CB 4.31Å; H457-D487 IonicContact CE1-OD2 3.9Å; H457-D487 IonicContact CG-OD2 3.02Å; H457-D487 WeakPolarHBondContact ND1-CB 3.31Å; H457-D487 IonicContact ND1-OD2 3.95Å; H457-D487 PolarHBondContact ND1-OD2 3.18Å
458	A	97.7	Very high	97	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	137.8	177.3	0	0	0	0	0	111	H200 A460 V466 V469 D487 V489	H200-A458 WeakPolarHBondContact O-CA 3.17Å; A458-A460 PolarHBondContact O-N 3.18Å; A458-V466 HydrophobicContact CB-CG2 3.91Å; A458-V469 HydrophobicContact CB-CG2 4.29Å; A458-D487 PolarHBondContact N-O 3.4Å; A458-V489 PolarHBondContact O-N 3.41Å
459	N	97.8	Very high	97.1	Very high	10 Å²	10	17.1 Å²	17.1	5%	0.053	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	118.2	170.3	-169.2	-38.6	0	0	0	109.3	D134 L135 H200 D461 D462 V466	D134-N459 PolarHBondContact O-ND2 3.26Å; D134-N459 VanDerWaalsContact O-ND2 3.15Å; L135-N459 WeakPolarHBondContact O-CA 3.46Å; L135-N459 WeakPolarHBondContact O-CB 3.3Å; L135-N459 VanDerWaalsContact O-CG 3.31Å; L135-N459 PolarHBondContact O-ND2 2.94Å; H200-N459 HydrophobicContact CB-CB 3.92Å; H200-N459 PolarHBondContact O-N 2.67Å; N459-D461 PolarHBondContact O-N 2.66Å; N459-D461 PolarHBondContact OD1-N 2.98Å; N459-D462 PolarHBondContact O-N 3.39Å; N459-D462 VanDerWaalsContact O-N 3.08Å; N459-V466 WeakPolarHBondContact O-CG2 3.23Å
460	A	97.8	Very high	97.2	Very high	1 Å²	1	12.9 Å²	12.9	1%	0.008	7%	0.071	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-17.5	-175.2	0	0	0	0	0	113.9	V268 A458 D462 V489 C490	V268-A460 HydrophobicContact CG1-CB 3.77Å; V268-A460 WeakPolarHBondContact CG1-O 3.28Å; A458-A460 PolarHBondContact O-N 3.18Å; A460-D462 VanDerWaalsContact C-N 3.33Å; A460-V489 WeakPolarHBondContact CB-O 3.21Å; A460-V489 PolarHBondContact N-O 2.91Å; A460-C490 HydrophobicContact CB-CB 3.45Å; A460-C490 VanDerWaalsContact CB-CB 3.45Å
461	D	97.5	Very high	97.4	Very high	18 Å²	18	14.5 Å²	14.5	10%	0.096	7%	0.073	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.8	-1.7	174.6	-82.5	5.9	0	0	0	113.1	P137 N459 P463 Q516 Q522	P137-D461 HydrophobicContact CB-CB 4.02Å; N459-D461 PolarHBondContact O-N 2.66Å; N459-D461 PolarHBondContact OD1-N 2.98Å; D461-P463 VanDerWaalsContact O-CD 3.22Å; D461-P463 WeakPolarHBondContact O-CD 3.14Å; D461-Q516 PolarHBondContact OD2-NE2 2.93Å; D461-Q522 PolarHBondContact OD2-NE2 3.44Å
462	D	97.5	Very high	97.6	Very high	19 Å²	19	13.8 Å²	13.8	10%	0.102	7%	0.068	C	C	.	.			trans	-110.9	85.7	169	-173.8	23.2	0	0	0	112.5	H200 N459 A460 E464 S465 V466	H200-D462 HydrophobicContact CB-CB 3.93Å; H200-D462 IonicContact CE1-OD2 3.82Å; H200-D462 IonicContact CG-OD2 2.97Å; H200-D462 IonicContact ND1-OD2 2.93Å; H200-D462 PolarHBondContact ND1-OD2 3.07Å; N459-D462 PolarHBondContact O-N 3.39Å; N459-D462 VanDerWaalsContact O-N 3.08Å; A460-D462 VanDerWaalsContact C-N 3.33Å; D462-E464 PolarHBondContact O-N 3.3Å; D462-E464 VanDerWaalsContact O-N 3.13Å; D462-S465 PolarHBondContact O-N 3.42Å; D462-S465 WeakPolarHBondContact OD2-CB 3.25Å; D462-S465 PolarHBondContact OD2-OG 3.05Å; D462-V466 PolarHBondContact O-N 2.87Å
463	P	97.6	Very high	97.8	Very high	2 Å²	2	10.7 Å²	10.7	1%	0.013	5%	0.052	C	C	.	.	H	α-helix	trans	-56.5	-31.8	-177.1	-28.2	34.8	0	0	0	115.1	I237 L241 V268 D461 V466 M467 V519 Y523	I237-P463 HydrophobicContact CG2-CB 3.58Å; L241-P463 HydrophobicContact CD1-CB 4.11Å; L241-P463 HydrophobicContact CD1-CG 3.68Å; V268-P463 HydrophobicContact CG2-CB 4.2Å; V268-P463 HydrophobicContact CG2-CG 4.43Å; D461-P463 VanDerWaalsContact O-CD 3.22Å; D461-P463 WeakPolarHBondContact O-CD 3.14Å; P463-V466 PolarHBondContact O-N 3.47Å; P463-M467 VanDerWaalsContact O-CG 3.31Å; P463-M467 WeakPolarHBondContact O-CG 3.39Å; P463-M467 PolarHBondContact O-N 2.54Å; P463-V519 HydrophobicContact CG-CG2 3.6Å; P463-Y523 HydrophobicContact CB-CD2 4.32Å; P463-Y523 HydrophobicContact CB-CE2 4.39Å; P463-Y523 HydrophobicContact CG-CD2 3.99Å; P463-Y523 HydrophobicContact CG-CG 3.99Å
464	E	97.3	Very high	97.9	Very high	30 Å²	30	10.6 Å²	10.6	14%	0.14	5%	0.051	C	C	.	.	H	α-helix	trans	-67.7	-45	-178.1	-59.3	-175.2	166.9	0	0	110.5	L229 K234 D462 M467 H468 Y523 K526	L229-E464 HydrophobicContact CD1-CB 3.83Å; L229-E464 HydrophobicContact CD1-CG 3.84Å; K234-E464 VanDerWaalsContact CE-OE1 3.27Å; K234-E464 WeakPolarHBondContact CE-OE1 3.06Å; K234-E464 IonicContact NZ-OE1 2.81Å; K234-E464 PolarHBondContact NZ-OE1 3.39Å; K234-E464 IonicContact NZ-OE2 2.7Å; D462-E464 PolarHBondContact O-N 3.3Å; D462-E464 VanDerWaalsContact O-N 3.13Å; E464-M467 PolarHBondContact O-N 2.89Å; E464-H468 PolarHBondContact O-N 2.75Å; E464-H468 VanDerWaalsContact O-N 3.12Å; E464-Y523 HydrophobicContact CG-CE2 3.79Å; E464-K526 IonicContact OE1-NZ 2.67Å; E464-K526 PolarHBondContact OE1-NZ 3.11Å; E464-K526 IonicContact OE2-NZ 2.69Å; E464-K526 PolarHBondContact OE2-NZ 2.83Å
465	S	97.1	Very high	97.9	Very high	8 Å²	8	12.4 Å²	12.4	6%	0.056	6%	0.059	C	C	.	.	H	α-helix	trans	-62.1	-42.9	174.2	-71.1	0	0	0	0	112.2	D462 M467 H468 V469	D462-S465 PolarHBondContact O-N 3.42Å; D462-S465 WeakPolarHBondContact OD2-CB 3.25Å; D462-S465 PolarHBondContact OD2-OG 3.05Å; S465-M467 VanDerWaalsContact C-N 3.33Å; S465-M467 PolarHBondContact O-N 3.29Å; S465-H468 PolarHBondContact O-N 3.27Å; S465-V469 PolarHBondContact O-N 2.99Å
466	V	98.1	Very high	97.9	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-62.9	-39.3	177.3	179.1	0	0	0	0	111.5	V268 A272 A458 N459 D462 P463 V469 A470 L488	V268-V466 HydrophobicContact CG1-CG1 4.37Å; V268-V466 HydrophobicContact CG1-CG2 4.32Å; V268-V466 HydrophobicContact CG2-CB 3.9Å; V268-V466 HydrophobicContact CG2-CG1 3.87Å; V268-V466 HydrophobicContact CG2-CG2 4.04Å; A272-V466 HydrophobicContact CB-CG1 3.66Å; A458-V466 HydrophobicContact CB-CG2 3.91Å; N459-V466 WeakPolarHBondContact O-CG2 3.23Å; D462-V466 PolarHBondContact O-N 2.87Å; P463-V466 PolarHBondContact O-N 3.47Å; V466-V469 PolarHBondContact O-N 3.32Å; V466-A470 VanDerWaalsContact O-CB 3.27Å; V466-A470 WeakPolarHBondContact O-CB 3.32Å; V466-A470 PolarHBondContact O-N 2.7Å; V466-L488 HydrophobicContact CG1-CD2 3.63Å; V466-L488 HydrophobicContact CG2-CD2 4.12Å
467	M	97.8	Very high	97.8	Very high	18 Å²	18	12.8 Å²	12.8	9%	0.089	6%	0.061	C	C	.	.	H	α-helix	trans	-66	-38.4	176.7	-68.5	-43.6	80.4	0	0	111.9	I237 V268 P271 A272 A275 P463 E464 S465 A470 K471	I237-M467 HydrophobicContact CD1-CB 4.32Å; I237-M467 HydrophobicContact CD1-CG 3.44Å; I237-M467 VanDerWaalsContact CD1-CG 3.44Å; I237-M467 HydrophobicContact CG1-CG 3.63Å; I237-M467 HydrophobicContact CG1-SD 4.25Å; V268-M467 HydrophobicContact CG2-CE 4.35Å; P271-M467 HydrophobicContact CB-CE 3.72Å; P271-M467 HydrophobicContact CB-SD 3.79Å; A272-M467 HydrophobicContact CB-CE 4.01Å; A275-M467 HydrophobicContact CB-SD 3.74Å; P463-M467 VanDerWaalsContact O-CG 3.31Å; P463-M467 WeakPolarHBondContact O-CG 3.39Å; P463-M467 PolarHBondContact O-N 2.54Å; E464-M467 PolarHBondContact O-N 2.89Å; S465-M467 VanDerWaalsContact C-N 3.33Å; S465-M467 PolarHBondContact O-N 3.29Å; M467-A470 PolarHBondContact O-N 2.94Å; M467-K471 WeakPolarHBondContact O-CB 3.41Å; M467-K471 PolarHBondContact O-N 2.72Å
468	H	97.6	Very high	97.8	Very high	18 Å²	18	15 Å²	15	8%	0.083	8%	0.077	C	C	.	.	H	α-helix	trans	-62.1	-49.6	175.1	-172.8	59.4	0	0	0	111.3	K220 F221 S226 M227 E464 S465 A470 K471 V472	K220-H468 PolarHBondContact O-NE2 3.33Å; F221-H468 AromaticContact CD1-CD2 3.87Å; F221-H468 AromaticContact CD1-NE2 3.76Å; F221-H468 AromaticContact CE1-CD2 3.7Å; F221-H468 AromaticContact CE1-NE2 3.91Å; S226-H468 PolarHBondContact O-CE1 3.2Å; S226-H468 VanDerWaalsContact O-CE1 3.29Å; S226-H468 PolarHBondContact O-ND1 2.84Å; M227-H468 HydrophobicContact CG-CB 4.28Å; E464-H468 PolarHBondContact O-N 2.75Å; E464-H468 VanDerWaalsContact O-N 3.12Å; S465-H468 PolarHBondContact O-N 3.27Å; H468-A470 VanDerWaalsContact C-N 3.34Å; H468-A470 PolarHBondContact O-N 3.13Å; H468-K471 PolarHBondContact O-N 2.82Å; H468-V472 WeakPolarHBondContact O-CG2 3.34Å; H468-V472 PolarHBondContact O-N 3.24Å
469	V	98	Very high	97.7	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-58.6	-44.3	176.3	165.8	0	0	0	0	111.7	I201 F221 L456 A458 S465 V466 K471 V472 A473 I486	I201-V469 HydrophobicContact CD1-CG2 3.94Å; I201-V469 HydrophobicContact CG1-CG2 4.12Å; I201-V469 HydrophobicContact CG2-CG2 3.94Å; F221-V469 HydrophobicContact CE1-CG2 4.41Å; L456-V469 HydrophobicContact CB-CG1 3.53Å; L456-V469 HydrophobicContact CB-CG2 4.4Å; L456-V469 HydrophobicContact CD1-CG1 3.78Å; L456-V469 HydrophobicContact CG-CG1 4.28Å; A458-V469 HydrophobicContact CB-CG2 4.29Å; S465-V469 PolarHBondContact O-N 2.99Å; V466-V469 PolarHBondContact O-N 3.32Å; V469-K471 PolarHBondContact O-N 3.25Å; V469-V472 PolarHBondContact O-N 3.05Å; V469-A473 WeakPolarHBondContact O-CB 2.91Å; V469-A473 PolarHBondContact O-N 3.26Å; V469-I486 HydrophobicContact CG1-CB 4.35Å; V469-I486 HydrophobicContact CG1-CD1 4.29Å; V469-I486 HydrophobicContact CG1-CG1 3.94Å; V469-I486 HydrophobicContact CG1-CG2 3.76Å
470	A	98.3	Very high	97.6	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-60.7	-41.6	177	0	0	0	0	0	112.7	A275 V276 V466 M467 H468 A474 I486	A275-A470 HydrophobicContact CB-CB 3.93Å; V276-A470 HydrophobicContact CG2-CB 3.92Å; V466-A470 VanDerWaalsContact O-CB 3.27Å; V466-A470 WeakPolarHBondContact O-CB 3.32Å; V466-A470 PolarHBondContact O-N 2.7Å; M467-A470 PolarHBondContact O-N 2.94Å; H468-A470 VanDerWaalsContact C-N 3.34Å; H468-A470 PolarHBondContact O-N 3.13Å; A470-A474 PolarHBondContact O-N 2.88Å; A470-I486 HydrophobicContact CB-CD1 4.5Å
471	K	97.6	Very high	97.5	Very high	96 Å²	96	23 Å²	23	42%	0.417	12%	0.118	S	C	.	.	H	α-helix	trans	-66.6	-47.4	176	-177.1	179.5	177.8	-179.4	0	111.4	M467 H468 V469 A473 A474 E475	M467-K471 WeakPolarHBondContact O-CB 3.41Å; M467-K471 PolarHBondContact O-N 2.72Å; H468-K471 PolarHBondContact O-N 2.82Å; V469-K471 PolarHBondContact O-N 3.25Å; K471-A473 VanDerWaalsContact C-N 3.3Å; K471-A473 PolarHBondContact O-N 2.95Å; K471-A474 PolarHBondContact O-N 2.9Å; K471-E475 VanDerWaalsContact CE-OE1 3.24Å; K471-E475 WeakPolarHBondContact CE-OE1 3.4Å; K471-E475 WeakPolarHBondContact O-CG 3.5Å; K471-E475 PolarHBondContact O-N 2.77Å
472	V	98.1	Very high	97.5	Very high	2 Å²	2	24.7 Å²	24.7	1%	0.012	13%	0.125	C	C	.	.	H	α-helix	trans	-62	-38.2	178.3	174.8	0	0	0	0	111.3	W216 K220 F221 L456 H468 V469 E475 W476	W216-V472 HydrophobicContact CH2-CG1 4.01Å; W216-V472 HydrophobicContact CZ3-CG1 3.87Å; K220-V472 HydrophobicContact CB-CG1 4.24Å; K220-V472 HydrophobicContact CB-CG2 4.12Å; K220-V472 HydrophobicContact CG-CG1 4.45Å; F221-V472 HydrophobicContact CE2-CB 4.43Å; F221-V472 HydrophobicContact CE2-CG1 3.69Å; F221-V472 HydrophobicContact CE2-CG2 4.43Å; F221-V472 HydrophobicContact CZ-CB 4.11Å; F221-V472 HydrophobicContact CZ-CG1 3.84Å; F221-V472 HydrophobicContact CZ-CG2 4.12Å; L456-V472 HydrophobicContact CD1-CG1 4.43Å; H468-V472 WeakPolarHBondContact O-CG2 3.34Å; H468-V472 PolarHBondContact O-N 3.24Å; V469-V472 PolarHBondContact O-N 3.05Å; V472-E475 PolarHBondContact O-N 2.97Å; V472-W476 VanDerWaalsContact O-CB 3.32Å; V472-W476 WeakPolarHBondContact O-CB 3.41Å; V472-W476 PolarHBondContact O-N 2.82Å
473	A	98.6	Very high	97.5	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-62.1	-43.6	175.1	0	0	0	0	0	112.5	V469 K471 W476 R477 V484 I486	V469-A473 WeakPolarHBondContact O-CB 2.91Å; V469-A473 PolarHBondContact O-N 3.26Å; K471-A473 VanDerWaalsContact C-N 3.3Å; K471-A473 PolarHBondContact O-N 2.95Å; A473-W476 PolarHBondContact O-N 3.38Å; A473-R477 WeakPolarHBondContact O-CB 3.31Å; A473-R477 PolarHBondContact O-N 3.28Å; A473-V484 HydrophobicContact CB-CG1 3.78Å; A473-V484 HydrophobicContact CB-CG2 3.9Å; A473-I486 HydrophobicContact CB-CD1 3.72Å; A473-I486 HydrophobicContact CB-CG1 4.01Å
474	A	98.3	Very high	97.5	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-61.4	-43.9	174.3	0	0	0	0	0	112.2	S280 I421 A470 K471 S478	S280-A474 WeakPolarHBondContact OG-CB 3.37Å; I421-A474 HydrophobicContact CD1-CB 4.43Å; A470-A474 PolarHBondContact O-N 2.88Å; K471-A474 PolarHBondContact O-N 2.9Å; A474-S478 WeakPolarHBondContact O-CB 3.39Å; A474-S478 PolarHBondContact O-N 3.1Å
475	E	98.1	Very high	97.6	Very high	38 Å²	38	22.5 Å²	22.5	18%	0.178	11%	0.114	C	C	.	.	H	α-helix	trans	-66.9	-40.7	177.4	-67.1	174.1	175.2	0	0	112.2	W216 K220 L283 K471 V472 S478 E479	W216-E475 HydrophobicContact CH2-CB 3.92Å; W216-E475 HydrophobicContact CZ2-CB 3.84Å; K220-E475 WeakPolarHBondContact CE-OE2 3.26Å; K220-E475 IonicContact NZ-OE1 3.79Å; K220-E475 IonicContact NZ-OE2 2.81Å; K220-E475 PolarHBondContact NZ-OE2 2.94Å; L283-E475 HydrophobicContact CD1-CG 4.18Å; K471-E475 VanDerWaalsContact CE-OE1 3.24Å; K471-E475 WeakPolarHBondContact CE-OE1 3.4Å; K471-E475 WeakPolarHBondContact O-CG 3.5Å; K471-E475 PolarHBondContact O-N 2.77Å; V472-E475 PolarHBondContact O-N 2.97Å; E475-S478 PolarHBondContact O-N 3.07Å; E475-E479 VanDerWaalsContact O-CB 3.29Å; E475-E479 WeakPolarHBondContact O-CB 3.39Å; E475-E479 PolarHBondContact O-N 3.47Å
476	W	98	Very high	97.7	Very high	1 Å²	1	22.2 Å²	22.2	0%	0.004	11%	0.112	C	C	.	.	H	α-helix	trans	-59.1	-49.2	176.1	166.9	-89.9	0	0	0	111.4	I208 K213 W216 I217 L454 V472 A473 S478 E479 F480 K482 D483 V484	I208-W476 HydrophobicContact CD1-CH2 3.77Å; I208-W476 HydrophobicContact CD1-CZ2 4.27Å; K213-W476 HydrophobicContact CB-CH2 3.96Å; K213-W476 HydrophobicContact CB-CZ3 3.97Å; K213-W476 HydrophobicContact CD-CH2 3.87Å; K213-W476 HydrophobicContact CD-CZ3 4.49Å; K213-W476 HydrophobicContact CG-CH2 4.2Å; K213-W476 HydrophobicContact CG-CZ3 4.36Å; W216-W476 HydrophobicContact CE3-CE3 4.06Å; W216-W476 HydrophobicContact CH2-CB 3.97Å; W216-W476 HydrophobicContact CZ3-CB 4.07Å; W216-W476 AromaticContact CZ3-CE3 3.97Å; W216-W476 HydrophobicContact CZ3-CE3 3.97Å; I217-W476 HydrophobicContact CD1-CE3 4.31Å; I217-W476 HydrophobicContact CD1-CH2 4.2Å; I217-W476 HydrophobicContact CD1-CZ3 3.63Å; I217-W476 HydrophobicContact CG1-CE3 4.2Å; I217-W476 HydrophobicContact CG1-CZ3 3.87Å; L454-W476 HydrophobicContact CB-CD2 4Å; L454-W476 HydrophobicContact CB-CE3 4.4Å; L454-W476 HydrophobicContact CB-CH2 4.21Å; L454-W476 HydrophobicContact CB-CZ2 3.79Å; L454-W476 HydrophobicContact CD2-CB 4.25Å; L454-W476 HydrophobicContact CD2-CD2 3.66Å; L454-W476 HydrophobicContact CD2-CE3 3.67Å; L454-W476 HydrophobicContact CD2-CG 3.94Å; L454-W476 HydrophobicContact CD2-CZ3 4.25Å; V472-W476 VanDerWaalsContact O-CB 3.32Å; V472-W476 WeakPolarHBondContact O-CB 3.41Å; V472-W476 PolarHBondContact O-N 2.82Å; A473-W476 PolarHBondContact O-N 3.38Å; W476-S478 VanDerWaalsContact C-N 3.3Å; W476-S478 PolarHBondContact O-N 2.65Å; W476-E479 PolarHBondContact O-N 2.78Å; W476-F480 AromaticContact CD2-CD2 3.76Å; W476-F480 HydrophobicContact CD2-CD2 3.76Å; W476-F480 HydrophobicContact CD2-CE2 4.42Å; W476-F480 AromaticContact CE3-CD2 3.34Å; W476-F480 HydrophobicContact CE3-CD2 3.34Å; W476-F480 AromaticContact CE3-CE2 3.57Å; W476-F480 HydrophobicContact CE3-CE2 3.57Å; W476-F480 HydrophobicContact CE3-CG 4.5Å; W476-F480 HydrophobicContact CG-CD2 4.43Å; W476-F480 HydrophobicContact CH2-CD2 4.2Å; W476-F480 AromaticContact CZ3-CD2 3.57Å; W476-F480 HydrophobicContact CZ3-CD2 3.57Å; W476-F480 AromaticContact CZ3-CE2 3.66Å; W476-F480 HydrophobicContact CZ3-CE2 3.66Å; W476-F480 PolarHBondContact O-N 3.21Å; W476-K482 HydrophobicContact CZ2-CB 4.17Å; W476-K482 PolarHBondContact NE1-O 3.12Å; W476-D483 PolarHBondContact NE1-O 2.66Å; W476-V484 HydrophobicContact CG-CB 4.31Å
477	R	97.4	Very high	97.7	Very high	8 Å²	8	22.2 Å²	22.2	3%	0.03	11%	0.112	C	C	.	.	H	α-helix	trans	-61.2	-42.9	179.2	-174.9	-88.3	177.7	-170.5	-7	110.5	G383 V386 M387 T417 K418 G419 I421 A473 G481	G383-R477 PolarHBondContact O-NH1 3.32Å; G383-R477 PolarHBondContact O-NH2 3.33Å; V386-R477 PolarHBondContact O-NH2 3.4Å; M387-R477 HydrophobicContact CE-CG 4.34Å; T417-R477 PolarHBondContact O-NH2 3.01Å; K418-R477 PolarHBondContact O-NE 3.35Å; G419-R477 WeakPolarHBondContact O-CG 3.11Å; G419-R477 PolarHBondContact O-NE 3.41Å; I421-R477 HydrophobicContact CD1-CB 4.43Å; I421-R477 HydrophobicContact CG1-CB 4.24Å; I421-R477 HydrophobicContact CG1-CG 4.39Å; A473-R477 WeakPolarHBondContact O-CB 3.31Å; A473-R477 PolarHBondContact O-N 3.28Å; R477-G481 VanDerWaalsContact O-CA 3.26Å; R477-G481 WeakPolarHBondContact O-CA 3.49Å; R477-G481 PolarHBondContact O-N 3.34Å
478	S	97	Very high	97.7	Very high	47 Å²	47	21.4 Å²	21.4	33%	0.329	11%	0.108	S	C	.	.	H	α-helix	trans	-67.6	-41	178.9	-175.1	0	0	0	0	113.4	A474 E475 W476	A474-S478 WeakPolarHBondContact O-CB 3.39Å; A474-S478 PolarHBondContact O-N 3.1Å; E475-S478 PolarHBondContact O-N 3.07Å; W476-S478 VanDerWaalsContact C-N 3.3Å; W476-S478 PolarHBondContact O-N 2.65Å
479	E	96.7	Very high	97.7	Very high	121 Å²	121	21.1 Å²	21.1	57%	0.565	11%	0.107	S	C	*	.	H	α-helix	trans	-74	-45.5	-177.5	-177.5	68	-162.9	0	0	112.1	E475 W476	E475-E479 VanDerWaalsContact O-CB 3.29Å; E475-E479 WeakPolarHBondContact O-CB 3.39Å; E475-E479 PolarHBondContact O-N 3.47Å; W476-E479 PolarHBondContact O-N 2.78Å
480	F	96.1	Very high	97.7	Very high	38 Å²	38	21.1 Å²	21.1	17%	0.167	11%	0.107	C	C	.	.	H	α-helix	trans	-110.1	-12.8	-168.8	-60.6	-60.9	0	0	0	114.8	K213 W216 W476 K482	K213-F480 HydrophobicContact CB-CZ 4.37Å; K213-F480 HydrophobicContact CD-CD1 4.33Å; K213-F480 HydrophobicContact CD-CG 4.4Å; K213-F480 HydrophobicContact CG-CD1 3.84Å; K213-F480 HydrophobicContact CG-CD2 4.37Å; K213-F480 HydrophobicContact CG-CE1 3.7Å; K213-F480 HydrophobicContact CG-CE2 4.23Å; K213-F480 HydrophobicContact CG-CG 4.17Å; K213-F480 HydrophobicContact CG-CZ 3.9Å; W216-F480 HydrophobicContact CB-CE2 4.09Å; W216-F480 HydrophobicContact CB-CZ 3.77Å; W216-F480 AromaticContact CD1-CZ 3.91Å; W216-F480 AromaticContact CD2-CE2 3.68Å; W216-F480 HydrophobicContact CD2-CE2 3.68Å; W216-F480 HydrophobicContact CD2-CZ 4.15Å; W216-F480 AromaticContact CE3-CE2 3.94Å; W216-F480 HydrophobicContact CE3-CE2 3.94Å; W216-F480 AromaticContact CG-CE2 3.75Å; W216-F480 HydrophobicContact CG-CE2 3.75Å; W216-F480 AromaticContact CG-CZ 3.69Å; W216-F480 HydrophobicContact CG-CZ 3.69Å; W476-F480 AromaticContact CD2-CD2 3.76Å; W476-F480 HydrophobicContact CD2-CD2 3.76Å; W476-F480 HydrophobicContact CD2-CE2 4.42Å; W476-F480 AromaticContact CE3-CD2 3.34Å; W476-F480 HydrophobicContact CE3-CD2 3.34Å; W476-F480 AromaticContact CE3-CE2 3.57Å; W476-F480 HydrophobicContact CE3-CE2 3.57Å; W476-F480 HydrophobicContact CE3-CG 4.5Å; W476-F480 HydrophobicContact CG-CD2 4.43Å; W476-F480 HydrophobicContact CH2-CD2 4.2Å; W476-F480 AromaticContact CZ3-CD2 3.57Å; W476-F480 HydrophobicContact CZ3-CD2 3.57Å; W476-F480 AromaticContact CZ3-CE2 3.66Å; W476-F480 HydrophobicContact CZ3-CE2 3.66Å; W476-F480 PolarHBondContact O-N 3.21Å; F480-K482 VanDerWaalsContact C-N 3.27Å; F480-K482 HydrophobicContact CB-CB 4.45Å; F480-K482 HydrophobicContact CB-CG 4.26Å; F480-K482 PolarHBondContact O-N 2.85Å
481	G	95.6	Very high	97.7	Very high	20 Å²	20	21.1 Å²	21.1	21%	0.206	11%	0.107	C	C	.	.			trans	59.8	36.9	-176.5	0	0	0	0	0	113	K418 G419 R477	K418-G481 VanDerWaalsContact C-C 3.42Å; K418-G481 CarbonylContact C-O 3.39Å; K418-G481 WeakPolarHBondContact CA-O 3.47Å; K418-G481 CarbonylContact O-C 3.59Å; K418-G481 WeakPolarHBondContact O-CA 3.46Å; G419-G481 PolarHBondContact N-O 2.84Å; R477-G481 VanDerWaalsContact O-CA 3.26Å; R477-G481 WeakPolarHBondContact O-CA 3.49Å; R477-G481 PolarHBondContact O-N 3.34Å
482	K	96.2	Very high	97.6	Very high	52 Å²	52	17 Å²	17	23%	0.226	9%	0.089	C	C	.	.			trans	-123	153.9	-176.8	-70.9	-66.7	-173.1	-179.9	0	111.3	D411 W476 F480	D411-K482 IonicContact OD1-NZ 2.94Å; D411-K482 PolarHBondContact OD1-NZ 3.49Å; D411-K482 IonicContact OD2-NZ 3.49Å; D411-K482 PolarHBondContact OD2-NZ 2.98Å; W476-K482 HydrophobicContact CZ2-CB 4.17Å; W476-K482 PolarHBondContact NE1-O 3.12Å; F480-K482 VanDerWaalsContact C-N 3.27Å; F480-K482 HydrophobicContact CB-CB 4.45Å; F480-K482 HydrophobicContact CB-CG 4.26Å; F480-K482 PolarHBondContact O-N 2.85Å
483	D	98.2	Very high	97.5	Very high	6 Å²	6	20.2 Å²	20.2	3%	0.032	10%	0.101	C	C	.	.			trans	-62.9	148.9	175.5	-69.4	10.9	0	0	0	111	F407 S410 G419 T420 H422 L454 W476	F407-D483 HydrophobicContact CD1-CB 4.48Å; F407-D483 HydrophobicContact CE1-CB 4.09Å; S410-D483 WeakPolarHBondContact CB-OD2 3.49Å; G419-D483 VanDerWaalsContact CA-OD1 3.25Å; G419-D483 WeakPolarHBondContact CA-OD1 3.42Å; T420-D483 PolarHBondContact N-OD1 3.11Å; T420-D483 VanDerWaalsContact O-CA 3.3Å; T420-D483 WeakPolarHBondContact O-CA 3.3Å; H422-D483 IonicContact NE2-OD2 3.29Å; H422-D483 PolarHBondContact NE2-OD2 2.76Å; L454-D483 PolarHBondContact N-O 3.33Å; W476-D483 PolarHBondContact NE1-O 2.66Å
484	V	98.5	Very high	97.2	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	139.9	173.9	53.7	0	0	0	0	109.2	T420 I421 H422 L454 L456 A473 W476	T420-V484 PolarHBondContact O-N 2.95Å; T420-V484 VanDerWaalsContact O-N 3.07Å; I421-V484 HydrophobicContact CB-CG1 4.46Å; I421-V484 HydrophobicContact CG1-CG1 3.85Å; H422-V484 PolarHBondContact N-O 2.94Å; L454-V484 HydrophobicContact CB-CB 4.33Å; L454-V484 HydrophobicContact CB-CG2 4Å; L454-V484 HydrophobicContact CD2-CG2 4.09Å; L454-V484 HydrophobicContact CG-CG2 3.98Å; L454-V484 CarbonylContact O-C 3.1Å; L454-V484 WeakPolarHBondContact O-CA 3.41Å; L456-V484 HydrophobicContact CD1-CG2 4.14Å; L456-V484 HydrophobicContact CG-CG2 4.48Å; A473-V484 HydrophobicContact CB-CG1 3.78Å; A473-V484 HydrophobicContact CB-CG2 3.9Å; W476-V484 HydrophobicContact CG-CB 4.31Å
485	V	98.7	Very high	97	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	126.5	-179.9	-169.4	0	0	0	0	109.9	F397 F407 H422 V424 T445 A448 L454 I455 L456	F397-V485 HydrophobicContact CZ-CG1 4.29Å; F397-V485 HydrophobicContact CZ-CG2 4.42Å; F407-V485 HydrophobicContact CE1-CG2 4.42Å; F407-V485 HydrophobicContact CZ-CG2 4Å; H422-V485 HydrophobicContact CB-CB 4.32Å; H422-V485 HydrophobicContact CB-CG1 4.15Å; H422-V485 HydrophobicContact CB-CG2 4.06Å; H422-V485 CarbonylContact O-C 3.5Å; H422-V485 WeakPolarHBondContact O-CA 3.34Å; V424-V485 HydrophobicContact CG2-CG1 3.87Å; T445-V485 HydrophobicContact CG2-CG1 3.52Å; A448-V485 HydrophobicContact CB-CG2 3.53Å; L454-V485 PolarHBondContact O-N 2.76Å; I455-V485 HydrophobicContact CG1-CB 4.46Å; L456-V485 PolarHBondContact N-O 2.89Å
486	I	98.7	Very high	96.8	Very high	1 Å²	1	21.9 Å²	21.9	1%	0.005	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	109.9	169.2	-55.9	176.4	0	0	0	107.3	V276 I421 H422 I423 V424 L456 V469 A470 A473 L488	V276-I486 HydrophobicContact CG2-CD1 4.35Å; I421-I486 HydrophobicContact CG2-CD1 4.24Å; H422-I486 PolarHBondContact O-N 3.22Å; I423-I486 CarbonylContact C-O 3.49Å; I423-I486 WeakPolarHBondContact CA-O 3.02Å; I423-I486 HydrophobicContact CG1-CB 4.44Å; I423-I486 HydrophobicContact CG1-CD1 4.36Å; V424-I486 PolarHBondContact N-O 2.85Å; L456-I486 CarbonylContact O-C 3.58Å; L456-I486 WeakPolarHBondContact O-CA 3.28Å; V469-I486 HydrophobicContact CG1-CB 4.35Å; V469-I486 HydrophobicContact CG1-CD1 4.29Å; V469-I486 HydrophobicContact CG1-CG1 3.94Å; V469-I486 HydrophobicContact CG1-CG2 3.76Å; A470-I486 HydrophobicContact CB-CD1 4.5Å; A473-I486 HydrophobicContact CB-CD1 3.72Å; A473-I486 HydrophobicContact CB-CG1 4.01Å; I486-L488 HydrophobicContact CG2-CD2 3.63Å; I486-L488 HydrophobicContact CG2-CG 4.04Å
487	D	98.5	Very high	96.5	Very high	1 Å²	1	22.7 Å²	22.7	1%	0.005	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	102	173.2	-177.1	19.7	0	0	0	109.5	N426 T445 L456 H457 A458 V489	N426-D487 WeakPolarHBondContact CB-OD1 3.36Å; N426-D487 PolarHBondContact ND2-OD1 2.81Å; N426-D487 PolarHBondContact ND2-OD2 2.71Å; T445-D487 HydrophobicContact CG2-CB 3.76Å; L456-D487 PolarHBondContact O-N 2.61Å; H457-D487 WeakPolarHBondContact CA-O 3.47Å; H457-D487 HydrophobicContact CB-CB 4.31Å; H457-D487 IonicContact CE1-OD2 3.9Å; H457-D487 IonicContact CG-OD2 3.02Å; H457-D487 WeakPolarHBondContact ND1-CB 3.31Å; H457-D487 IonicContact ND1-OD2 3.95Å; H457-D487 PolarHBondContact ND1-OD2 3.18Å; A458-D487 PolarHBondContact N-O 3.4Å; D487-V489 PolarHBondContact O-N 3.2Å
488	L	98.4	Very high	96.2	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	93.2	176.5	-61.2	-179.1	0	0	0	108.8	V268 L269 I423 V424 N426 V466 I486 C490	V268-L488 HydrophobicContact CG1-CD1 4.43Å; L269-L488 HydrophobicContact CB-CD1 4.42Å; L269-L488 HydrophobicContact CD1-CD1 4.11Å; I423-L488 HydrophobicContact CG2-CD1 3.57Å; I423-L488 HydrophobicContact CG2-CG 3.97Å; V424-L488 PolarHBondContact O-N 2.73Å; N426-L488 PolarHBondContact N-O 2.95Å; V466-L488 HydrophobicContact CG1-CD2 3.63Å; V466-L488 HydrophobicContact CG2-CD2 4.12Å; I486-L488 HydrophobicContact CG2-CD2 3.63Å; I486-L488 HydrophobicContact CG2-CG 4.04Å; L488-C490 PolarHBondContact O-N 2.91Å; L488-C490 PolarHBondContact O-SG 2.86Å
489	V	97.7	Very high	95.9	Very high	12 Å²	12	27.8 Å²	27.8	7%	0.073	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	110.9	178.5	-172.9	0	0	0	0	108.4	L135 P137 Q428 A458 A460 D487	L135-V489 HydrophobicContact CB-CB 4.38Å; L135-V489 HydrophobicContact CB-CG2 4.15Å; L135-V489 WeakPolarHBondContact O-CB 3.34Å; L135-V489 WeakPolarHBondContact O-CG1 3.26Å; P137-V489 WeakPolarHBondContact CD-O 3.49Å; Q428-V489 HydrophobicContact CG-CG1 4.42Å; A458-V489 PolarHBondContact O-N 3.41Å; A460-V489 WeakPolarHBondContact CB-O 3.21Å; A460-V489 PolarHBondContact N-O 2.91Å; D487-V489 PolarHBondContact O-N 3.2Å
490	C	97.5	Very high	95.8	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	12%	0.124	C	C	.	.			trans	-143	-163.6	-166.3	71.6	0	0	0	0	110.4	G265 C266 N426 N427 Q428 A460 L488	G265-C490 WeakPolarHBondContact O-CB 3.43Å; C266-C490 HydrophobicContact CB-CB 3.76Å; C266-C490 VanDerWaalsContact CB-SG 3.53Å; N426-C490 PolarHBondContact O-N 3.37Å; N426-C490 PolarHBondContact O-SG 2.98Å; N426-C490 VanDerWaalsContact O-SG 3.37Å; N427-C490 VanDerWaalsContact CA-SG 3.52Å; Q428-C490 PolarHBondContact NE2-O 2.92Å; A460-C490 HydrophobicContact CB-CB 3.45Å; A460-C490 VanDerWaalsContact CB-CB 3.45Å; L488-C490 PolarHBondContact O-N 2.91Å; L488-C490 PolarHBondContact O-SG 2.86Å
491	Y	97.2	Very high	95.7	Very high	1 Å²	1	25.9 Å²	25.9	0%	0.004	13%	0.132	C	C	.	.			trans	-141.7	171.4	174.9	56.7	-86.9	0	0	0	111.3	P137 L138 G265 R493 I513 Q516	P137-Y491 HydrophobicContact CB-CD1 4.32Å; P137-Y491 HydrophobicContact CB-CE1 4.38Å; P137-Y491 HydrophobicContact CG-CD1 3.85Å; P137-Y491 HydrophobicContact CG-CE1 4.33Å; L138-Y491 HydrophobicContact CD2-CD1 4.01Å; L138-Y491 HydrophobicContact CD2-CG 4.04Å; L138-Y491 HydrophobicContact CG-CD1 4.39Å; L138-Y491 HydrophobicContact CG-CG 4.44Å; G265-Y491 CarbonylContact C-O 3.3Å; G265-Y491 VanDerWaalsContact CA-CE2 3.41Å; G265-Y491 WeakPolarHBondContact CA-O 3.17Å; G265-Y491 PolarHBondContact O-N 2.89Å; Y491-R493 HydrophobicContact CE2-CB 4.45Å; Y491-R493 PolarHBondContact OH-NH2 3.23Å; Y491-I513 HydrophobicContact CD2-CG1 4.01Å; Y491-I513 HydrophobicContact CD2-CG2 4.01Å; Y491-I513 HydrophobicContact CE2-CG2 4.36Å; Y491-I513 HydrophobicContact CG-CG1 4.26Å; Y491-Q516 HydrophobicContact CE1-CG 3.87Å
492	R	96.7	Very high	95.7	Very high	9 Å²	9	25.3 Å²	25.3	3%	0.034	13%	0.125	C	C	.	.			trans	-112	108.6	173.8	-166.9	175.6	63.8	-150.3	5.9	109.6	R295 N427 F431 S494 G495 H496 Y510	R295-R492 VanDerWaalsContact CZ-CD 3.47Å; R295-R492 VanDerWaalsContact NH1-CD 3.3Å; R295-R492 VanDerWaalsContact NH2-CD 3.27Å; N427-R492 HydrophobicContact CB-CB 4.31Å; F431-R492 PolarHBondContact O-NH2 3.34Å; R492-S494 VanDerWaalsContact C-N 3.33Å; R492-S494 WeakPolarHBondContact CG-O 3.4Å; R492-S494 PolarHBondContact NE-O 3.24Å; R492-S494 PolarHBondContact O-N 3.43Å; R492-G495 WeakPolarHBondContact CD-O 3.3Å; R492-G495 VanDerWaalsContact NE-C 3.29Å; R492-G495 PolarHBondContact NE-O 3.25Å; R492-G495 VanDerWaalsContact NE-O 3.08Å; R492-H496 PolarHBondContact NH1-ND1 3.11Å; R492-H496 VanDerWaalsContact NH2-N 3.19Å; R492-Y510 PolarHBondContact NE-OH 3.47Å; R492-Y510 PolarHBondContact NH2-OH 2.85Å; R492-Y510 WeakPolarHBondContact O-CE1 3.4Å; R492-Y510 PolarHBondContact O-OH 3.18Å
493	R	95.4	Very high	95.7	Very high	69 Å²	69	25.1 Å²	25.1	26%	0.26	13%	0.125	S	C	.	.	S	Bend	trans	-62.5	-39.5	-174.9	-169.3	165.8	-72	-85	0	113.2	E264 Y491 I513 Q516	E264-R493 HydrophobicContact CB-CB 3.68Å; E264-R493 HydrophobicContact CB-CG 4.49Å; E264-R493 WeakPolarHBondContact O-CB 3.45Å; E264-R493 PolarHBondContact O-N 3.48Å; Y491-R493 HydrophobicContact CE2-CB 4.45Å; Y491-R493 PolarHBondContact OH-NH2 3.23Å; R493-I513 HydrophobicContact CB-CG2 4.48Å; R493-I513 HydrophobicContact CG-CG2 4.32Å; R493-I513 PolarHBondContact NH1-O 2.94Å; R493-Q516 PolarHBondContact NH1-O 3.06Å; R493-Q516 VanDerWaalsContact NH1-O 3.15Å; R493-Q516 PolarHBondContact NH2-O 3.43Å
494	S	93.3	Very high	95.6	Very high	36 Å²	36	33.2 Å²	33.2	25%	0.252	16%	0.16	S	C	.	.	S	Bend	trans	-95.6	179.1	177.4	-59	0	0	0	0	112.2	R492 Y510	R492-S494 VanDerWaalsContact C-N 3.33Å; R492-S494 WeakPolarHBondContact CG-O 3.4Å; R492-S494 PolarHBondContact NE-O 3.24Å; R492-S494 PolarHBondContact O-N 3.43Å; S494-Y510 WeakPolarHBondContact O-CE1 3.33Å; S494-Y510 PolarHBondContact O-OH 2.73Å
495	G	93.7	Very high	95.4	Very high	5 Å²	5	36.3 Å²	36.3	5%	0.052	18%	0.179	C	C	.	.			trans	-60.9	-175.8	166	0	0	0	0	0	113	R492 N497 D500	R492-G495 WeakPolarHBondContact CD-O 3.3Å; R492-G495 VanDerWaalsContact NE-C 3.29Å; R492-G495 PolarHBondContact NE-O 3.25Å; R492-G495 VanDerWaalsContact NE-O 3.08Å; G495-N497 CarbonylContact C-O 3.53Å; G495-N497 WeakPolarHBondContact CA-O 3.09Å; G495-N497 PolarHBondContact O-N 3.14Å; G495-D500 WeakPolarHBondContact CA-O 3.35Å
496	H	93.9	Very high	95.2	Very high	33 Å²	33	37.9 Å²	37.9	15%	0.153	19%	0.187	C	C	.	.	S	Bend	trans	-59	-38	-179.6	179	67.5	0	0	0	112.3	F261 H294 F431 R492 D500	F261-H496 WeakPolarHBondContact CD1-O 3.49Å; F261-H496 AromaticContact CE1-NE2 3.9Å; H294-H496 AromaticContact NE2-CE1 3.85Å; F431-H496 HydrophobicContact CD2-CB 3.91Å; F431-H496 AromaticContact CD2-CD2 3.14Å; F431-H496 WeakPolarHBondContact CD2-CD2 3.3Å; F431-H496 AromaticContact CD2-CG 3.36Å; F431-H496 AromaticContact CD2-ND1 3.92Å; F431-H496 AromaticContact CD2-NE2 3.6Å; F431-H496 HydrophobicContact CE2-CB 4.12Å; F431-H496 AromaticContact CE2-CD2 3.3Å; F431-H496 WeakPolarHBondContact CE2-CD2 3.37Å; F431-H496 AromaticContact CE2-CG 3.8Å; F431-H496 HydrophobicContact CG-CB 4.17Å; F431-H496 AromaticContact CG-CG 3.93Å; R492-H496 PolarHBondContact NH1-ND1 3.11Å; R492-H496 VanDerWaalsContact NH2-N 3.19Å; H496-D500 PolarHBondContact N-OD2 3.29Å; H496-D500 VanDerWaalsContact N-OD2 3.11Å
497	N	91.9	Very high	95	Very high	17 Å²	17	40.6 Å²	40.6	9%	0.091	20%	0.204	C	C	.	.	S	Bend	trans	-119.8	167.5	156.7	63.6	90.1	0	0	0	107.8	K259 F261 G495 M499 D500	K259-N497 HydrophobicContact CB-CB 4.26Å; K259-N497 HydrophobicContact CD-CB 3.86Å; K259-N497 WeakPolarHBondContact CE-OD1 3.4Å; K259-N497 HydrophobicContact CG-CB 3.89Å; F261-N497 HydrophobicContact CE1-CB 4.31Å; G495-N497 CarbonylContact C-O 3.53Å; G495-N497 WeakPolarHBondContact CA-O 3.09Å; G495-N497 PolarHBondContact O-N 3.14Å; N497-M499 PolarHBondContact O-N 3.09Å; N497-M499 VanDerWaalsContact O-N 3.08Å; N497-M499 PolarHBondContact OD1-N 3.09Å; N497-D500 WeakPolarHBondContact O-CB 3.46Å; N497-D500 PolarHBondContact O-N 3.14Å; N497-D500 PolarHBondContact OD1-N 3.26Å
498	E	91.4	Very high	94.8	Very high	38 Å²	38	46.9 Å²	46.9	18%	0.178	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72	-8.9	-169.1	-65.2	80	-168.2	0	0	114.4	R260 F261 G262	R260-E498 VanDerWaalsContact CG-CD 3.41Å; R260-E498 HydrophobicContact CG-CG 4.22Å; R260-E498 VanDerWaalsContact CG-OE1 3.26Å; R260-E498 WeakPolarHBondContact CG-OE1 3.27Å; R260-E498 PolarHBondContact N-OE2 3.33Å; F261-E498 WeakPolarHBondContact CA-OE1 3.39Å; F261-E498 PolarHBondContact N-OE1 3.06Å; F261-E498 PolarHBondContact N-OE2 3.02Å; G262-E498 PolarHBondContact N-OE1 3.43Å
499	M	89.8	Confident	94.6	Very high	124 Å²	124	47.2 Å²	47.2	61%	0.611	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-99.3	-4.5	172.9	-58.6	-153.2	-63.6	0	0	113.8	N497	N497-M499 PolarHBondContact O-N 3.09Å; N497-M499 VanDerWaalsContact O-N 3.08Å; N497-M499 PolarHBondContact OD1-N 3.09Å
500	D	93.8	Very high	94.6	Very high	46 Å²	46	47 Å²	47	25%	0.246	24%	0.237	C	C	.	.			trans	-82.5	139	179.1	-179.9	52.5	0	0	0	110.8	G495 H496 N497 P502	G495-D500 WeakPolarHBondContact CA-O 3.35Å; H496-D500 PolarHBondContact N-OD2 3.29Å; H496-D500 VanDerWaalsContact N-OD2 3.11Å; N497-D500 WeakPolarHBondContact O-CB 3.46Å; N497-D500 PolarHBondContact O-N 3.14Å; N497-D500 PolarHBondContact OD1-N 3.26Å; D500-P502 WeakPolarHBondContact O-CD 3.41Å
501	E	95.4	Very high	94.5	Very high	74 Å²	74	52.4 Å²	52.4	35%	0.346	26%	0.26	S	S	.	.			trans	-101	99.9	177.9	174.9	52.1	-101.4	0	0	110.1	M503 F504	E501-M503 PolarHBondContact O-N 2.94Å; E501-M503 WeakPolarHBondContact OE1-CB 3.44Å; E501-M503 WeakPolarHBondContact OE1-CG 3.19Å; E501-M503 PolarHBondContact OE1-N 3.18Å; E501-F504 HydrophobicContact CB-CD2 4.1Å; E501-F504 HydrophobicContact CB-CE1 4.49Å; E501-F504 HydrophobicContact CB-CE2 3.73Å; E501-F504 HydrophobicContact CB-CZ 3.94Å; E501-F504 HydrophobicContact CG-CD1 4.04Å; E501-F504 HydrophobicContact CG-CD2 4.17Å; E501-F504 HydrophobicContact CG-CE1 3.75Å; E501-F504 HydrophobicContact CG-CE2 3.89Å; E501-F504 HydrophobicContact CG-CG 4.25Å; E501-F504 HydrophobicContact CG-CZ 3.67Å; E501-F504 WeakPolarHBondContact O-CD2 3.47Å
502	P	95.1	Very high	94.5	Very high	8 Å²	8	58.2 Å²	58.2	5%	0.052	28%	0.282	C	S	.	.	G	3₁₀ helix	trans	-80.5	-16.4	-170.2	32.6	-38	0	0	0	113.9	D500 F504 T505 Q506 Y510	D500-P502 WeakPolarHBondContact O-CD 3.41Å; P502-F504 PolarHBondContact O-N 3.38Å; P502-F504 VanDerWaalsContact O-N 3.11Å; P502-T505 PolarHBondContact O-N 2.97Å; P502-T505 VanDerWaalsContact O-N 3.11Å; P502-T505 PolarHBondContact O-OG1 3.38Å; P502-Q506 PolarHBondContact O-N 2.81Å; P502-Y510 HydrophobicContact CB-CD1 4.15Å; P502-Y510 HydrophobicContact CB-CD2 3.65Å; P502-Y510 HydrophobicContact CB-CE1 3.79Å; P502-Y510 HydrophobicContact CB-CE2 3.24Å; P502-Y510 HydrophobicContact CB-CG 4.06Å; P502-Y510 HydrophobicContact CG-CD1 3.34Å; P502-Y510 HydrophobicContact CG-CD2 3.77Å; P502-Y510 HydrophobicContact CG-CE1 3.11Å; P502-Y510 HydrophobicContact CG-CE2 3.59Å; P502-Y510 HydrophobicContact CG-CG 3.63Å
503	M	95.5	Very high	94.5	Very high	47 Å²	47	57.9 Å²	57.9	23%	0.232	28%	0.281	C	S	.	.	G	3₁₀ helix	trans	-63.8	-16.3	177.2	-69.1	-167.2	72	0	0	113.2	E501 T505 P507 K511 R514	E501-M503 PolarHBondContact O-N 2.94Å; E501-M503 WeakPolarHBondContact OE1-CB 3.44Å; E501-M503 WeakPolarHBondContact OE1-CG 3.19Å; E501-M503 PolarHBondContact OE1-N 3.18Å; M503-T505 PolarHBondContact O-N 2.87Å; M503-P507 HydrophobicContact CE-CB 4.43Å; M503-K511 HydrophobicContact CE-CG 4.06Å; M503-R514 PolarHBondContact SD-NH1 3.44Å; M503-R514 PolarHBondContact SD-NH2 2.85Å
504	F	96.3	Very high	94.5	Very high	176 Å²	176	62.4 Å²	62.4	77%	0.772	30%	0.298	S	S	*	.	G	3₁₀ helix	trans	-61.7	-27.5	173.5	-63.6	-24.1	0	0	0	113.2	E501 P502	E501-F504 HydrophobicContact CB-CD2 4.1Å; E501-F504 HydrophobicContact CB-CE1 4.49Å; E501-F504 HydrophobicContact CB-CE2 3.73Å; E501-F504 HydrophobicContact CB-CZ 3.94Å; E501-F504 HydrophobicContact CG-CD1 4.04Å; E501-F504 HydrophobicContact CG-CD2 4.17Å; E501-F504 HydrophobicContact CG-CE1 3.75Å; E501-F504 HydrophobicContact CG-CE2 3.89Å; E501-F504 HydrophobicContact CG-CG 4.25Å; E501-F504 HydrophobicContact CG-CZ 3.67Å; E501-F504 WeakPolarHBondContact O-CD2 3.47Å; P502-F504 PolarHBondContact O-N 3.38Å; P502-F504 VanDerWaalsContact O-N 3.11Å
505	T	95.3	Very high	94.6	Very high	65 Å²	65	67.9 Å²	67.9	40%	0.399	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-121.4	-32.4	-177.2	56.4	0	0	0	0	113.1	T432 P502 M503 P507	T432-T505 HydrophobicContact CG2-CG2 3.95Å; P502-T505 PolarHBondContact O-N 2.97Å; P502-T505 VanDerWaalsContact O-N 3.11Å; P502-T505 PolarHBondContact O-OG1 3.38Å; M503-T505 PolarHBondContact O-N 2.87Å; T505-P507 WeakPolarHBondContact O-CD 3.12Å
506	Q	94.3	Very high	94.7	Very high	34 Å²	34	69.6 Å²	69.6	16%	0.159	33%	0.326	C	S	.	.			trans	-124.7	56	-176.1	-57.6	-57.6	-22	0	0	113	I429 T432 P502 L508 M509 Y510	I429-Q506 HydrophobicContact CD1-CB 4.42Å; I429-Q506 HydrophobicContact CD1-CG 3.62Å; T432-Q506 PolarHBondContact O-NE2 3.29Å; P502-Q506 PolarHBondContact O-N 2.81Å; Q506-L508 VanDerWaalsContact C-N 3.33Å; Q506-L508 PolarHBondContact O-N 3.2Å; Q506-M509 HydrophobicContact CB-CB 4.23Å; Q506-M509 HydrophobicContact CB-SD 4.5Å; Q506-M509 PolarHBondContact O-N 3.4Å; Q506-Y510 HydrophobicContact CB-CD2 4.01Å; Q506-Y510 HydrophobicContact CB-CE2 4.31Å; Q506-Y510 WeakPolarHBondContact O-CD2 3.13Å; Q506-Y510 PolarHBondContact O-N 3.13Å; Q506-Y510 VanDerWaalsContact O-N 3.11Å
507	P	95	Very high	94.8	Very high	58 Å²	58	71 Å²	71	38%	0.377	34%	0.338	S	S	.	.	H	α-helix	trans	-64.4	-31.6	-171.4	25.5	-35	0	0	0	114.1	M503 T505 K511	M503-P507 HydrophobicContact CE-CB 4.43Å; T505-P507 WeakPolarHBondContact O-CD 3.12Å; P507-K511 WeakPolarHBondContact O-CG 3.43Å; P507-K511 PolarHBondContact O-N 3.08Å; P507-K511 VanDerWaalsContact O-N 3.15Å
508	L	93.1	Very high	95	Very high	132 Å²	132	71.2 Å²	71.2	69%	0.691	34%	0.341	S	S	*	.	H	α-helix	trans	-72.6	-47.6	179.5	-67.5	177.8	0	0	0	111.7	Q506 Y510 K511 R512	Q506-L508 VanDerWaalsContact C-N 3.33Å; Q506-L508 PolarHBondContact O-N 3.2Å; L508-Y510 VanDerWaalsContact C-N 3.35Å; L508-Y510 PolarHBondContact O-N 2.66Å; L508-K511 PolarHBondContact O-N 3.31Å; L508-R512 PolarHBondContact O-N 2.96Å
509	M	95.3	Very high	95.2	Very high	8 Å²	8	69.5 Å²	69.5	4%	0.039	33%	0.333	C	S	.	.	H	α-helix	trans	-56.8	-48.6	176	179	-174.2	-74.5	0	0	110.9	L138 I140 Q428 I429 Q506 K511 R512 I513	L138-M509 HydrophobicContact CD1-CG 3.92Å; I140-M509 HydrophobicContact CD1-CB 3.74Å; I140-M509 HydrophobicContact CD1-CE 4.06Å; I140-M509 HydrophobicContact CD1-CG 3.71Å; Q428-M509 HydrophobicContact CB-CE 4.19Å; Q428-M509 WeakPolarHBondContact O-CE 3.18Å; I429-M509 HydrophobicContact CB-SD 4.36Å; I429-M509 HydrophobicContact CD1-SD 4.42Å; Q506-M509 HydrophobicContact CB-CB 4.23Å; Q506-M509 HydrophobicContact CB-SD 4.5Å; Q506-M509 PolarHBondContact O-N 3.4Å; M509-K511 VanDerWaalsContact C-N 3.34Å; M509-K511 PolarHBondContact O-N 3.31Å; M509-R512 WeakPolarHBondContact O-CB 3.36Å; M509-R512 PolarHBondContact O-N 3.32Å; M509-R512 VanDerWaalsContact O-N 3.14Å; M509-I513 HydrophobicContact CG-CD1 3.69Å; M509-I513 HydrophobicContact CG-CG1 4.45Å; M509-I513 WeakPolarHBondContact O-CG1 3.44Å; M509-I513 PolarHBondContact O-N 3.42Å; M509-I513 HydrophobicContact SD-CD1 4.39Å
510	Y	96.1	Very high	95.6	Very high	7 Å²	7	64.1 Å²	64.1	3%	0.027	31%	0.306	C	S	.	.	H	α-helix	trans	-74.4	-20.4	-177.7	-83.1	-89.2	0	0	0	114.6	I429 R492 S494 P502 Q506 L508 I513 R514	I429-Y510 HydrophobicContact CD1-CE2 4.44Å; R492-Y510 PolarHBondContact NE-OH 3.47Å; R492-Y510 PolarHBondContact NH2-OH 2.85Å; R492-Y510 WeakPolarHBondContact O-CE1 3.4Å; R492-Y510 PolarHBondContact O-OH 3.18Å; S494-Y510 WeakPolarHBondContact O-CE1 3.33Å; S494-Y510 PolarHBondContact O-OH 2.73Å; P502-Y510 HydrophobicContact CB-CD1 4.15Å; P502-Y510 HydrophobicContact CB-CD2 3.65Å; P502-Y510 HydrophobicContact CB-CE1 3.79Å; P502-Y510 HydrophobicContact CB-CE2 3.24Å; P502-Y510 HydrophobicContact CB-CG 4.06Å; P502-Y510 HydrophobicContact CG-CD1 3.34Å; P502-Y510 HydrophobicContact CG-CD2 3.77Å; P502-Y510 HydrophobicContact CG-CE1 3.11Å; P502-Y510 HydrophobicContact CG-CE2 3.59Å; P502-Y510 HydrophobicContact CG-CG 3.63Å; Q506-Y510 HydrophobicContact CB-CD2 4.01Å; Q506-Y510 HydrophobicContact CB-CE2 4.31Å; Q506-Y510 WeakPolarHBondContact O-CD2 3.13Å; Q506-Y510 PolarHBondContact O-N 3.13Å; Q506-Y510 VanDerWaalsContact O-N 3.11Å; L508-Y510 VanDerWaalsContact C-N 3.35Å; L508-Y510 PolarHBondContact O-N 2.66Å; Y510-I513 HydrophobicContact CD1-CD1 4.02Å; Y510-I513 HydrophobicContact CD2-CD1 4.29Å; Y510-I513 HydrophobicContact CE1-CD1 4.02Å; Y510-I513 HydrophobicContact CE2-CD1 4.29Å; Y510-I513 HydrophobicContact CG-CD1 4.19Å; Y510-R514 VanDerWaalsContact O-CG 3.27Å; Y510-R514 WeakPolarHBondContact O-CG 3.31Å; Y510-R514 PolarHBondContact O-N 2.78Å
511	K	96.5	Very high	95.7	Very high	113 Å²	113	67.1 Å²	67.1	49%	0.491	32%	0.319	S	S	.	.	H	α-helix	trans	-65	-45.8	165.2	-78.7	171.8	-177.1	-176.2	0	111.1	M503 P507 L508 M509 R514 E515	M503-K511 HydrophobicContact CE-CG 4.06Å; P507-K511 WeakPolarHBondContact O-CG 3.43Å; P507-K511 PolarHBondContact O-N 3.08Å; P507-K511 VanDerWaalsContact O-N 3.15Å; L508-K511 PolarHBondContact O-N 3.31Å; M509-K511 VanDerWaalsContact C-N 3.34Å; M509-K511 PolarHBondContact O-N 3.31Å; K511-R514 PolarHBondContact O-N 2.72Å; K511-E515 PolarHBondContact O-N 2.72Å
512	R	96	Very high	95.8	Very high	123 Å²	123	66.8 Å²	66.8	46%	0.464	32%	0.317	S	S	.	.	H	α-helix	trans	-64.4	-45.3	176.9	-66.5	-61.7	-167.9	106.2	-0.3	112.3	L138 I140 L508 M509 R514 E515 Q516	L138-R512 HydrophobicContact CD2-CB 4.41Å; L138-R512 PolarHBondContact O-NH1 2.77Å; I140-R512 HydrophobicContact CG2-CB 4.39Å; I140-R512 HydrophobicContact CG2-CG 3.66Å; L508-R512 PolarHBondContact O-N 2.96Å; M509-R512 WeakPolarHBondContact O-CB 3.36Å; M509-R512 PolarHBondContact O-N 3.32Å; M509-R512 VanDerWaalsContact O-N 3.14Å; R512-R514 VanDerWaalsContact C-N 3.27Å; R512-R514 PolarHBondContact O-N 3.37Å; R512-E515 PolarHBondContact O-N 3.44Å; R512-Q516 PolarHBondContact O-N 2.98Å
513	I	96.9	Very high	95.9	Very high	3 Å²	3	66.6 Å²	66.6	2%	0.015	32%	0.316	C	S	.	.	H	α-helix	trans	-57.5	-38.5	177.3	-70.4	166.3	0	0	0	112.3	L138 Y491 R493 M509 Y510 E515 Q516	L138-I513 HydrophobicContact CD1-CD1 4.16Å; L138-I513 HydrophobicContact CD1-CG1 3.76Å; L138-I513 HydrophobicContact CD2-CG1 3.7Å; L138-I513 HydrophobicContact CG-CG1 4.41Å; Y491-I513 HydrophobicContact CD2-CG1 4.01Å; Y491-I513 HydrophobicContact CD2-CG2 4.01Å; Y491-I513 HydrophobicContact CE2-CG2 4.36Å; Y491-I513 HydrophobicContact CG-CG1 4.26Å; R493-I513 HydrophobicContact CB-CG2 4.48Å; R493-I513 HydrophobicContact CG-CG2 4.32Å; R493-I513 PolarHBondContact NH1-O 2.94Å; M509-I513 HydrophobicContact CG-CD1 3.69Å; M509-I513 HydrophobicContact CG-CG1 4.45Å; M509-I513 WeakPolarHBondContact O-CG1 3.44Å; M509-I513 PolarHBondContact O-N 3.42Å; M509-I513 HydrophobicContact SD-CD1 4.39Å; Y510-I513 HydrophobicContact CD1-CD1 4.02Å; Y510-I513 HydrophobicContact CD2-CD1 4.29Å; Y510-I513 HydrophobicContact CE1-CD1 4.02Å; Y510-I513 HydrophobicContact CE2-CD1 4.29Å; Y510-I513 HydrophobicContact CG-CD1 4.19Å; I513-E515 VanDerWaalsContact C-N 3.27Å; I513-E515 PolarHBondContact O-N 2.77Å; I513-Q516 PolarHBondContact O-N 3.19Å
514	R	95.7	Very high	96	Very high	163 Å²	163	64.8 Å²	64.8	62%	0.615	31%	0.308	S	S	*	.	H	α-helix	trans	-65.6	-30.4	177.6	-77.7	176.9	-175.1	-172.7	1.9	112.9	M503 Y510 K511 R512	M503-R514 PolarHBondContact SD-NH1 3.44Å; M503-R514 PolarHBondContact SD-NH2 2.85Å; Y510-R514 VanDerWaalsContact O-CG 3.27Å; Y510-R514 WeakPolarHBondContact O-CG 3.31Å; Y510-R514 PolarHBondContact O-N 2.78Å; K511-R514 PolarHBondContact O-N 2.72Å; R512-R514 VanDerWaalsContact C-N 3.27Å; R512-R514 PolarHBondContact O-N 3.37Å
515	E	95.7	Very high	96.1	Very high	151 Å²	151	62.9 Å²	62.9	71%	0.706	30%	0.299	S	S	*	.	H	α-helix	trans	-86.2	-18.7	177.4	-66.6	170.3	-177.6	0	0	112.2	K511 R512 I513 P517	K511-E515 PolarHBondContact O-N 2.72Å; R512-E515 PolarHBondContact O-N 3.44Å; I513-E515 VanDerWaalsContact C-N 3.27Å; I513-E515 PolarHBondContact O-N 2.77Å; E515-P517 VanDerWaalsContact O-CD 3.31Å; E515-P517 WeakPolarHBondContact O-CD 3.21Å
516	Q	95.8	Very high	96.1	Very high	41 Å²	41	64 Å²	64	19%	0.192	30%	0.298	C	S	.	.	P	Polyproline II helix	trans	-73.7	116.4	-175.9	-169.5	63.9	13.1	0	0	112.3	P137 L138 D461 Y491 R493 R512 I513	P137-Q516 PolarHBondContact O-NE2 3.02Å; L138-Q516 HydrophobicContact CD2-CB 4.39Å; L138-Q516 HydrophobicContact CD2-CG 4.38Å; D461-Q516 PolarHBondContact OD2-NE2 2.93Å; Y491-Q516 HydrophobicContact CE1-CG 3.87Å; R493-Q516 PolarHBondContact NH1-O 3.06Å; R493-Q516 VanDerWaalsContact NH1-O 3.15Å; R493-Q516 PolarHBondContact NH2-O 3.43Å; R512-Q516 PolarHBondContact O-N 2.98Å; I513-Q516 PolarHBondContact O-N 3.19Å
517	P	96.1	Very high	96.3	Very high	62 Å²	62	62.3 Å²	62.3	40%	0.403	29%	0.29	S	S	.	.	P	Polyproline II helix	trans	-61.3	149.3	170.9	-18.5	32.3	0	0	0	110.9	E515 E521 Q522	E515-P517 VanDerWaalsContact O-CD 3.31Å; E515-P517 WeakPolarHBondContact O-CD 3.21Å; P517-E521 HydrophobicContact CB-CB 4.48Å; P517-Q522 HydrophobicContact CB-CG 3.99Å; P517-Q522 PolarHBondContact O-NE2 2.55Å
518	T	95.9	Very high	96.4	Very high	23 Å²	23	62.3 Å²	62.3	14%	0.141	29%	0.286	C	S	.	.	P	Polyproline II helix	trans	-66.2	152.4	177.8	61.7	0	0	0	0	111.3	L520 E521 Q522	T518-L520 PolarHBondContact O-N 3.07Å; T518-L520 VanDerWaalsContact O-N 3.15Å; T518-E521 PolarHBondContact N-OE2 2.87Å; T518-E521 PolarHBondContact O-N 3.49Å; T518-E521 WeakPolarHBondContact OG1-CB 3.34Å; T518-E521 WeakPolarHBondContact OG1-CG 3.34Å; T518-E521 PolarHBondContact OG1-N 3.37Å; T518-E521 PolarHBondContact OG1-OE2 3.45Å; T518-Q522 WeakPolarHBondContact O-CG 3.08Å; T518-Q522 PolarHBondContact O-N 3.29Å
519	V	96.5	Very high	96.6	Very high	1 Å²	1	61.7 Å²	61.7	1%	0.006	28%	0.284	C	S	.	.	H	α-helix	trans	-55.8	-32.7	175.1	63.4	0	0	0	0	112.2	L241 E267 P463 Y523	L241-V519 HydrophobicContact CD1-CG2 4.48Å; L241-V519 HydrophobicContact CD2-CG1 4.01Å; L241-V519 HydrophobicContact CD2-CG2 4.42Å; E267-V519 HydrophobicContact CB-CG1 3.94Å; P463-V519 HydrophobicContact CG-CG2 3.6Å; V519-Y523 VanDerWaalsContact O-CB 3.23Å; V519-Y523 WeakPolarHBondContact O-CB 3.49Å; V519-Y523 PolarHBondContact O-N 3.36Å
520	L	97.4	Very high	96.6	Very high	12 Å²	12	64.5 Å²	64.5	6%	0.063	31%	0.305	C	S	.	.	H	α-helix	trans	-66	-44	175.7	-179	61.3	0	0	0	111.9	L238 L241 V242 T245 T518 S524 F538	L238-L520 HydrophobicContact CD1-CD1 3.87Å; L241-L520 HydrophobicContact CB-CD1 3.98Å; V242-L520 HydrophobicContact CG2-CD1 3.77Å; V242-L520 HydrophobicContact CG2-CD2 4.4Å; T245-L520 HydrophobicContact CG2-CB 4.28Å; T245-L520 HydrophobicContact CG2-CD2 4.02Å; T518-L520 PolarHBondContact O-N 3.07Å; T518-L520 VanDerWaalsContact O-N 3.15Å; L520-S524 WeakPolarHBondContact O-CB 3.38Å; L520-S524 PolarHBondContact O-N 2.69Å; L520-S524 PolarHBondContact O-OG 3.26Å; L520-F538 HydrophobicContact CD1-CE2 4.01Å; L520-F538 HydrophobicContact CD2-CZ 4.5Å; L520-F538 HydrophobicContact CG-CE2 4.27Å; L520-F538 HydrophobicContact CG-CZ 4.36Å
521	E	96.7	Very high	96.5	Very high	109 Å²	109	67.3 Å²	67.3	51%	0.509	34%	0.336	S	S	.	.	H	α-helix	trans	-64.8	-44.9	177.2	-73.5	162.3	152.5	0	0	111.1	P517 T518 S524 K525	P517-E521 HydrophobicContact CB-CB 4.48Å; T518-E521 PolarHBondContact N-OE2 2.87Å; T518-E521 PolarHBondContact O-N 3.49Å; T518-E521 WeakPolarHBondContact OG1-CB 3.34Å; T518-E521 WeakPolarHBondContact OG1-CG 3.34Å; T518-E521 PolarHBondContact OG1-N 3.37Å; T518-E521 PolarHBondContact OG1-OE2 3.45Å; E521-S524 PolarHBondContact O-OG 3.36Å; E521-K525 VanDerWaalsContact O-CB 3.28Å; E521-K525 WeakPolarHBondContact O-CB 3.49Å; E521-K525 PolarHBondContact O-N 3.15Å; E521-K525 VanDerWaalsContact O-N 3.12Å
522	Q	97	Very high	96.5	Very high	66 Å²	66	63.3 Å²	63.3	31%	0.308	32%	0.319	S	S	.	.	H	α-helix	trans	-61.8	-49.2	178.9	-64.4	-178.7	55.8	0	0	111.4	D461 P517 T518 K526	D461-Q522 PolarHBondContact OD2-NE2 3.44Å; P517-Q522 HydrophobicContact CB-CG 3.99Å; P517-Q522 PolarHBondContact O-NE2 2.55Å; T518-Q522 WeakPolarHBondContact O-CG 3.08Å; T518-Q522 PolarHBondContact O-N 3.29Å; Q522-K526 PolarHBondContact O-N 3.44Å; Q522-K526 VanDerWaalsContact O-N 3.09Å
523	Y	97.6	Very high	96.5	Very high	5 Å²	5	57.7 Å²	57.7	2%	0.02	30%	0.299	C	S	.	.	H	α-helix	trans	-75	-38.5	-175.6	-169.1	-113.1	0	0	0	113.1	K234 I237 L238 L241 P463 E464 V519 K525 K526 L527	K234-Y523 WeakPolarHBondContact CA-OH 3.44Å; K234-Y523 WeakPolarHBondContact CB-OH 3.42Å; K234-Y523 PolarHBondContact O-OH 3.37Å; I237-Y523 HydrophobicContact CB-CE1 3.9Å; I237-Y523 HydrophobicContact CG2-CD1 4.19Å; I237-Y523 HydrophobicContact CG2-CE1 3.52Å; L238-Y523 HydrophobicContact CB-CD1 4.32Å; L238-Y523 HydrophobicContact CB-CE1 4.12Å; L238-Y523 HydrophobicContact CD1-CD1 4.24Å; L241-Y523 HydrophobicContact CD1-CD1 3.71Å; L241-Y523 HydrophobicContact CD1-CE1 4.41Å; L241-Y523 HydrophobicContact CD1-CG 4.15Å; P463-Y523 HydrophobicContact CB-CD2 4.32Å; P463-Y523 HydrophobicContact CB-CE2 4.39Å; P463-Y523 HydrophobicContact CG-CD2 3.99Å; P463-Y523 HydrophobicContact CG-CG 3.99Å; E464-Y523 HydrophobicContact CG-CE2 3.79Å; V519-Y523 VanDerWaalsContact O-CB 3.23Å; V519-Y523 WeakPolarHBondContact O-CB 3.49Å; V519-Y523 PolarHBondContact O-N 3.36Å; Y523-K525 PolarHBondContact O-N 2.83Å; Y523-K526 HydrophobicContact CD2-CD 4.37Å; Y523-K526 PolarHBondContact O-N 3.21Å; Y523-L527 HydrophobicContact CD1-CD1 3.99Å; Y523-L527 HydrophobicContact CD1-CG 4.37Å; Y523-L527 HydrophobicContact CE1-CD1 3.47Å; Y523-L527 VanDerWaalsContact CE1-CD1 3.47Å; Y523-L527 HydrophobicContact CE1-CG 4.05Å; Y523-L527 HydrophobicContact CE2-CD2 4.34Å; Y523-L527 HydrophobicContact CE2-CG 4.41Å; Y523-L527 WeakPolarHBondContact O-CG 3.35Å; Y523-L527 PolarHBondContact O-N 3.15Å
524	S	97.5	Very high	96.5	Very high	9 Å²	9	61.1 Å²	61.1	6%	0.063	32%	0.32	C	S	.	.	H	α-helix	trans	-61.8	-43.4	174.4	59	0	0	0	0	111.4	L520 E521 L527 I528	L520-S524 WeakPolarHBondContact O-CB 3.38Å; L520-S524 PolarHBondContact O-N 2.69Å; L520-S524 PolarHBondContact O-OG 3.26Å; E521-S524 PolarHBondContact O-OG 3.36Å; S524-L527 PolarHBondContact O-N 2.86Å; S524-I528 VanDerWaalsContact O-CG1 3.28Å; S524-I528 WeakPolarHBondContact O-CG1 3.32Å; S524-I528 PolarHBondContact O-N 3.49Å
525	K	97.2	Very high	96.5	Very high	135 Å²	135	58.8 Å²	58.8	59%	0.587	32%	0.316	S	S	*	.	H	α-helix	trans	-59.1	-47.9	174	-175.2	179.1	177.8	-174.7	0	111.7	E521 Y523 L527 I528 D529	E521-K525 VanDerWaalsContact O-CB 3.28Å; E521-K525 WeakPolarHBondContact O-CB 3.49Å; E521-K525 PolarHBondContact O-N 3.15Å; E521-K525 VanDerWaalsContact O-N 3.12Å; Y523-K525 PolarHBondContact O-N 2.83Å; K525-L527 VanDerWaalsContact C-N 3.28Å; K525-L527 PolarHBondContact O-N 3.16Å; K525-I528 PolarHBondContact O-N 2.92Å; K525-D529 WeakPolarHBondContact O-CB 2.88Å; K525-D529 VanDerWaalsContact O-CG 3.27Å; K525-D529 PolarHBondContact O-N 3.33Å
526	K	96.7	Very high	96.5	Very high	88 Å²	88	56.9 Å²	56.9	38%	0.383	31%	0.307	S	S	.	.	H	α-helix	trans	-55.7	-40.8	175.8	179	179.9	170.7	-177.2	0	112.4	E464 Q522 Y523 S530	E464-K526 IonicContact OE1-NZ 2.67Å; E464-K526 PolarHBondContact OE1-NZ 3.11Å; E464-K526 IonicContact OE2-NZ 2.69Å; E464-K526 PolarHBondContact OE2-NZ 2.83Å; Q522-K526 PolarHBondContact O-N 3.44Å; Q522-K526 VanDerWaalsContact O-N 3.09Å; Y523-K526 HydrophobicContact CD2-CD 4.37Å; Y523-K526 PolarHBondContact O-N 3.21Å; K526-S530 WeakPolarHBondContact O-CB 3.28Å; K526-S530 PolarHBondContact O-N 3.17Å; K526-S530 PolarHBondContact O-OG 3.16Å
527	L	97.3	Very high	96.5	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-75.7	-31.9	179.3	-66.6	-172.4	0	0	0	113.8	K234 L238 Y523 S524 K525 S530 G531 I532 V533	K234-L527 HydrophobicContact CB-CD1 4.48Å; K234-L527 HydrophobicContact CB-CD2 3.91Å; K234-L527 HydrophobicContact CD-CD2 4.14Å; K234-L527 HydrophobicContact CG-CD2 4.42Å; L238-L527 HydrophobicContact CB-CD1 3.82Å; L238-L527 HydrophobicContact CD2-CD1 4.02Å; L238-L527 HydrophobicContact CG-CD1 4.35Å; Y523-L527 HydrophobicContact CD1-CD1 3.99Å; Y523-L527 HydrophobicContact CD1-CG 4.37Å; Y523-L527 HydrophobicContact CE1-CD1 3.47Å; Y523-L527 VanDerWaalsContact CE1-CD1 3.47Å; Y523-L527 HydrophobicContact CE1-CG 4.05Å; Y523-L527 HydrophobicContact CE2-CD2 4.34Å; Y523-L527 HydrophobicContact CE2-CG 4.41Å; Y523-L527 WeakPolarHBondContact O-CG 3.35Å; Y523-L527 PolarHBondContact O-N 3.15Å; S524-L527 PolarHBondContact O-N 2.86Å; K525-L527 VanDerWaalsContact C-N 3.28Å; K525-L527 PolarHBondContact O-N 3.16Å; L527-S530 WeakPolarHBondContact CA-OG 3.46Å; L527-S530 PolarHBondContact O-OG 3.23Å; L527-G531 PolarHBondContact O-N 3.13Å; L527-I532 HydrophobicContact CD2-CB 4.28Å; L527-I532 HydrophobicContact CD2-CD1 3.96Å; L527-I532 HydrophobicContact CD2-CG2 4.33Å; L527-I532 PolarHBondContact O-N 2.88Å; L527-V533 HydrophobicContact CB-CB 4.31Å; L527-V533 HydrophobicContact CB-CG2 4.12Å; L527-V533 HydrophobicContact CD1-CG2 4.13Å; L527-V533 PolarHBondContact O-N 3.43Å
528	I	97.3	Very high	96.5	Very high	57 Å²	57	57.5 Å²	57.5	29%	0.292	30%	0.304	S	S	.	.	H	α-helix	trans	-70.9	-47.7	174.4	-68.2	165.5	0	0	0	110.2	S524 K525 S530 G531 V533	S524-I528 VanDerWaalsContact O-CG1 3.28Å; S524-I528 WeakPolarHBondContact O-CG1 3.32Å; S524-I528 PolarHBondContact O-N 3.49Å; K525-I528 PolarHBondContact O-N 2.92Å; I528-S530 PolarHBondContact O-N 3.43Å; I528-G531 PolarHBondContact O-N 3.47Å; I528-V533 WeakPolarHBondContact CA-O 3.35Å
529	D	96.8	Very high	96.6	Very high	120 Å²	120	61.2 Å²	61.2	64%	0.642	32%	0.318	S	S	*	.	H	α-helix	trans	-63.3	-29.9	-179.9	-69.2	-13.3	0	0	0	112	K525 G531	K525-D529 WeakPolarHBondContact O-CB 2.88Å; K525-D529 VanDerWaalsContact O-CG 3.27Å; K525-D529 PolarHBondContact O-N 3.33Å; D529-G531 VanDerWaalsContact C-N 3.33Å
530	S	94.9	Very high	96.6	Very high	67 Å²	67	65.3 Å²	65.3	47%	0.469	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.9	-1	174.4	54.6	0	0	0	0	114.2	K526 L527 I528 I532	K526-S530 WeakPolarHBondContact O-CB 3.28Å; K526-S530 PolarHBondContact O-N 3.17Å; K526-S530 PolarHBondContact O-OG 3.16Å; L527-S530 WeakPolarHBondContact CA-OG 3.46Å; L527-S530 PolarHBondContact O-OG 3.23Å; I528-S530 PolarHBondContact O-N 3.43Å; S530-I532 PolarHBondContact O-N 3.46Å
531	G	95.5	Very high	96.5	Very high	66 Å²	66	66.7 Å²	66.7	68%	0.68	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.1	12.9	-179.2	0	0	0	0	0	114.3	L527 I528 D529	L527-G531 PolarHBondContact O-N 3.13Å; I528-G531 PolarHBondContact O-N 3.47Å; D529-G531 VanDerWaalsContact C-N 3.33Å
532	I	96.2	Very high	96.6	Very high	28 Å²	28	62.6 Å²	62.6	14%	0.144	33%	0.329	C	S	.	.	S	Bend	trans	-75	-35.6	179.4	-64.1	175.9	0	0	0	110.3	K234 R235 L527 S530	K234-I532 HydrophobicContact CB-CG2 4.45Å; K234-I532 HydrophobicContact CD-CD1 3.53Å; R235-I532 HydrophobicContact CG-CG2 4.21Å; R235-I532 PolarHBondContact NE-O 3.36Å; R235-I532 PolarHBondContact NH2-O 3.39Å; L527-I532 HydrophobicContact CD2-CB 4.28Å; L527-I532 HydrophobicContact CD2-CD1 3.96Å; L527-I532 HydrophobicContact CD2-CG2 4.33Å; L527-I532 PolarHBondContact O-N 2.88Å; S530-I532 PolarHBondContact O-N 3.46Å
533	V	95.7	Very high	96.6	Very high	6 Å²	6	62.2 Å²	62.2	4%	0.036	34%	0.337	C	S	.	.	S	Bend	trans	-132.2	141	179.3	-178.2	0	0	0	0	109.3	R235 L238 L527 I528 E537 F538	R235-V533 HydrophobicContact CG-CG2 3.76Å; L238-V533 HydrophobicContact CD2-CB 4.34Å; L238-V533 HydrophobicContact CD2-CG1 3.98Å; L238-V533 HydrophobicContact CD2-CG2 3.95Å; L527-V533 HydrophobicContact CB-CB 4.31Å; L527-V533 HydrophobicContact CB-CG2 4.12Å; L527-V533 HydrophobicContact CD1-CG2 4.13Å; L527-V533 PolarHBondContact O-N 3.43Å; I528-V533 WeakPolarHBondContact CA-O 3.35Å; V533-E537 WeakPolarHBondContact CA-OE2 3.41Å; V533-E537 HydrophobicContact CG1-CB 3.79Å; V533-F538 HydrophobicContact CG1-CB 4.37Å
534	T	96.4	Very high	96.6	Very high	75 Å²	75	67.3 Å²	67.3	46%	0.46	36%	0.359	S	S	.	.			trans	-85.7	157.1	172.9	72	0	0	0	0	111.7	Q536 E537 F538	T534-Q536 PolarHBondContact O-N 2.73Å; T534-E537 PolarHBondContact N-OE2 2.96Å; T534-E537 PolarHBondContact O-N 2.94Å; T534-E537 VanDerWaalsContact OG1-CG 3.28Å; T534-E537 WeakPolarHBondContact OG1-CG 3.45Å; T534-E537 PolarHBondContact OG1-N 2.93Å; T534-F538 PolarHBondContact O-N 3.41Å; T534-F538 VanDerWaalsContact O-N 3.11Å
535	E	95.7	Very high	96.6	Very high	114 Å²	114	67.1 Å²	67.1	53%	0.533	36%	0.357	S	S	.	.	H	α-helix	trans	-57.9	-34.5	176	-166.4	-173.9	161.8	0	0	112.3	K539	E535-K539 WeakPolarHBondContact O-CG 3.42Å; E535-K539 PolarHBondContact O-N 3.29Å; E535-K539 VanDerWaalsContact O-N 3.11Å; E535-K539 VanDerWaalsContact OE1-CE 3.23Å; E535-K539 WeakPolarHBondContact OE1-CE 3.43Å; E535-K539 IonicContact OE1-NZ 3.7Å; E535-K539 PolarHBondContact OE1-NZ 3.13Å
536	Q	96.5	Very high	96.6	Very high	111 Å²	111	62.8 Å²	62.8	52%	0.519	34%	0.34	S	S	.	.	H	α-helix	trans	-68.5	-46.5	177	-171.9	60.6	46.4	0	0	111.7	T534 F538 K539 D540	T534-Q536 PolarHBondContact O-N 2.73Å; Q536-F538 VanDerWaalsContact C-N 3.25Å; Q536-F538 PolarHBondContact O-N 3.44Å; Q536-K539 PolarHBondContact O-N 2.93Å; Q536-K539 VanDerWaalsContact O-N 3.16Å; Q536-D540 PolarHBondContact NE2-OD1 3.02Å; Q536-D540 PolarHBondContact O-N 2.98Å
537	E	95.1	Very high	96.6	Very high	75 Å²	75	63.6 Å²	63.6	35%	0.35	35%	0.345	S	S	.	.	H	α-helix	trans	-57.6	-39.6	176.7	-74.6	174	152.9	0	0	111.9	R235 V533 T534 E541	R235-E537 IonicContact CZ-OE1 2.83Å; R235-E537 IonicContact CZ-OE2 3.45Å; R235-E537 VanDerWaalsContact NH1-CD 3.25Å; R235-E537 IonicContact NH1-OE1 2.68Å; R235-E537 PolarHBondContact NH1-OE1 3.31Å; R235-E537 IonicContact NH1-OE2 3.48Å; R235-E537 PolarHBondContact NH1-OE2 2.86Å; R235-E537 IonicContact NH2-OE1 3.11Å; R235-E537 PolarHBondContact NH2-OE1 3.2Å; R235-E537 IonicContact NH2-OE2 2.71Å; R235-E537 PolarHBondContact NH2-OE2 3.5Å; R235-E537 VanDerWaalsContact NH2-OE2 3.12Å; V533-E537 WeakPolarHBondContact CA-OE2 3.41Å; V533-E537 HydrophobicContact CG1-CB 3.79Å; T534-E537 PolarHBondContact N-OE2 2.96Å; T534-E537 PolarHBondContact O-N 2.94Å; T534-E537 VanDerWaalsContact OG1-CG 3.28Å; T534-E537 WeakPolarHBondContact OG1-CG 3.45Å; T534-E537 PolarHBondContact OG1-N 2.93Å; E537-E541 PolarHBondContact O-N 2.86Å; E537-E541 VanDerWaalsContact O-N 3.14Å
538	F	96.8	Very high	96.6	Very high	40 Å²	40	66.7 Å²	66.7	18%	0.175	36%	0.361	C	S	.	.	H	α-helix	trans	-64.7	-47.3	175.5	171.9	-116.5	0	0	0	112.3	L238 V242 L520 V533 T534 Q536 D540 E541 V542	L238-F538 HydrophobicContact CD1-CD2 4.2Å; L238-F538 HydrophobicContact CD1-CE2 4.27Å; L238-F538 HydrophobicContact CD2-CD2 4.26Å; V242-F538 HydrophobicContact CG2-CD2 4.38Å; V242-F538 HydrophobicContact CG2-CE2 3.98Å; L520-F538 HydrophobicContact CD1-CE2 4.01Å; L520-F538 HydrophobicContact CD2-CZ 4.5Å; L520-F538 HydrophobicContact CG-CE2 4.27Å; L520-F538 HydrophobicContact CG-CZ 4.36Å; V533-F538 HydrophobicContact CG1-CB 4.37Å; T534-F538 PolarHBondContact O-N 3.41Å; T534-F538 VanDerWaalsContact O-N 3.11Å; Q536-F538 VanDerWaalsContact C-N 3.25Å; Q536-F538 PolarHBondContact O-N 3.44Å; F538-D540 VanDerWaalsContact C-N 3.31Å; F538-D540 PolarHBondContact O-N 2.97Å; F538-E541 PolarHBondContact O-N 2.75Å; F538-V542 HydrophobicContact CD2-CG2 4.36Å; F538-V542 HydrophobicContact CE2-CG2 3.9Å; F538-V542 HydrophobicContact CZ-CG2 4.01Å; F538-V542 WeakPolarHBondContact O-CG2 3.44Å; F538-V542 PolarHBondContact O-N 3.44Å; F538-V542 VanDerWaalsContact O-N 3.14Å
539	K	97.1	Very high	96.6	Very high	102 Å²	102	64 Å²	64	44%	0.443	35%	0.347	S	S	.	.	H	α-helix	trans	-60.6	-40.4	177.4	-74.8	174.2	-176	167	0	111.9	E535 Q536 V542 A543	E535-K539 WeakPolarHBondContact O-CG 3.42Å; E535-K539 PolarHBondContact O-N 3.29Å; E535-K539 VanDerWaalsContact O-N 3.11Å; E535-K539 VanDerWaalsContact OE1-CE 3.23Å; E535-K539 WeakPolarHBondContact OE1-CE 3.43Å; E535-K539 IonicContact OE1-NZ 3.7Å; E535-K539 PolarHBondContact OE1-NZ 3.13Å; Q536-K539 PolarHBondContact O-N 2.93Å; Q536-K539 VanDerWaalsContact O-N 3.16Å; K539-V542 PolarHBondContact O-N 2.89Å; K539-A543 WeakPolarHBondContact O-CB 3.25Å; K539-A543 PolarHBondContact O-N 2.93Å
540	D	97.2	Very high	96.7	Very high	86 Å²	86	61.1 Å²	61.1	46%	0.46	33%	0.33	S	S	.	.	H	α-helix	trans	-65.7	-42.1	179.5	-67.4	-18.6	0	0	0	111.8	Q536 F538 V542 A543 K544	Q536-D540 PolarHBondContact NE2-OD1 3.02Å; Q536-D540 PolarHBondContact O-N 2.98Å; F538-D540 VanDerWaalsContact C-N 3.31Å; F538-D540 PolarHBondContact O-N 2.97Å; D540-V542 VanDerWaalsContact C-N 3.34Å; D540-V542 PolarHBondContact O-N 3.1Å; D540-A543 PolarHBondContact O-N 3.29Å; D540-K544 VanDerWaalsContact O-CB 3.27Å; D540-K544 WeakPolarHBondContact O-CB 3.26Å; D540-K544 PolarHBondContact O-N 3.11Å
541	E	96.3	Very high	96.8	Very high	41 Å²	41	62.3 Å²	62.3	19%	0.192	33%	0.331	C	S	.	.	H	α-helix	trans	-67.3	-34.8	177.5	-171.6	63.1	-163.6	0	0	111.8	A239 V242 E537 F538 K544 Y545	A239-E541 HydrophobicContact CB-CG 4.27Å; V242-E541 HydrophobicContact CG1-CG 4.37Å; E537-E541 PolarHBondContact O-N 2.86Å; E537-E541 VanDerWaalsContact O-N 3.14Å; F538-E541 PolarHBondContact O-N 2.75Å; E541-K544 IonicContact OE2-NZ 2.75Å; E541-K544 PolarHBondContact OE2-NZ 2.94Å; E541-Y545 PolarHBondContact O-N 3.22Å
542	V	97.7	Very high	96.9	Very high	24 Å²	24	59.8 Å²	59.8	15%	0.145	30%	0.304	C	S	.	.	H	α-helix	trans	-64.2	-52.1	171.7	173.2	0	0	0	0	110.8	V242 R246 F538 K539 D540 K544 Y545 D546	V242-V542 HydrophobicContact CG1-CB 4.45Å; V242-V542 HydrophobicContact CG1-CG2 3.96Å; V242-V542 HydrophobicContact CG2-CG2 4.17Å; R246-V542 HydrophobicContact CG-CG1 4.18Å; F538-V542 HydrophobicContact CD2-CG2 4.36Å; F538-V542 HydrophobicContact CE2-CG2 3.9Å; F538-V542 HydrophobicContact CZ-CG2 4.01Å; F538-V542 WeakPolarHBondContact O-CG2 3.44Å; F538-V542 PolarHBondContact O-N 3.44Å; F538-V542 VanDerWaalsContact O-N 3.14Å; K539-V542 PolarHBondContact O-N 2.89Å; D540-V542 VanDerWaalsContact C-N 3.34Å; D540-V542 PolarHBondContact O-N 3.1Å; V542-K544 VanDerWaalsContact C-N 3.27Å; V542-K544 PolarHBondContact O-N 2.9Å; V542-Y545 PolarHBondContact O-N 3.06Å; V542-D546 PolarHBondContact O-N 2.74Å
543	A	97.7	Very high	96.9	Very high	58 Å²	58	60.6 Å²	60.6	48%	0.479	31%	0.306	S	S	.	.	H	α-helix	trans	-58.9	-40.4	-178.6	0	0	0	0	0	112	K539 D540 Y545 D546 Q547	K539-A543 WeakPolarHBondContact O-CB 3.25Å; K539-A543 PolarHBondContact O-N 2.93Å; D540-A543 PolarHBondContact O-N 3.29Å; A543-Y545 PolarHBondContact O-N 3.25Å; A543-D546 PolarHBondContact O-N 2.8Å; A543-Q547 WeakPolarHBondContact O-CB 3.49Å; A543-Q547 PolarHBondContact O-N 2.76Å
544	K	97.3	Very high	96.9	Very high	111 Å²	111	64 Å²	64	48%	0.483	32%	0.321	S	S	.	.	H	α-helix	trans	-59	-44.9	176.4	177.4	-176.9	175.4	-173.3	0	112.7	D540 E541 V542 I548	D540-K544 VanDerWaalsContact O-CB 3.27Å; D540-K544 WeakPolarHBondContact O-CB 3.26Å; D540-K544 PolarHBondContact O-N 3.11Å; E541-K544 IonicContact OE2-NZ 2.75Å; E541-K544 PolarHBondContact OE2-NZ 2.94Å; V542-K544 VanDerWaalsContact C-N 3.27Å; V542-K544 PolarHBondContact O-N 2.9Å; K544-I548 WeakPolarHBondContact O-CG1 3.36Å; K544-I548 PolarHBondContact O-N 3.06Å
545	Y	97	Very high	96.9	Very high	5 Å²	5	64 Å²	64	2%	0.02	32%	0.318	C	S	.	.	H	α-helix	trans	-75.9	-36.3	-179.5	-171.7	-102.5	0	0	0	112.8	R243 R246 F247 N303 E541 V542 A543 Q547 I548 C549	R243-Y545 HydrophobicContact CB-CD2 4.09Å; R243-Y545 HydrophobicContact CB-CE1 4.35Å; R243-Y545 HydrophobicContact CB-CE2 3.84Å; R243-Y545 HydrophobicContact CB-CG 4.4Å; R243-Y545 HydrophobicContact CG-CD2 3.52Å; R243-Y545 HydrophobicContact CG-CE2 3.69Å; R243-Y545 HydrophobicContact CG-CG 3.97Å; R243-Y545 VanDerWaalsContact O-CE1 3.23Å; R243-Y545 WeakPolarHBondContact O-CE1 3.35Å; R246-Y545 HydrophobicContact CB-CD1 3.68Å; R246-Y545 HydrophobicContact CB-CE1 4.16Å; F247-Y545 HydrophobicContact CB-CE1 3.95Å; N303-Y545 PolarHBondContact ND2-OH 3.11Å; N303-Y545 PolarHBondContact OD1-OH 3.14Å; E541-Y545 PolarHBondContact O-N 3.22Å; V542-Y545 PolarHBondContact O-N 3.06Å; A543-Y545 PolarHBondContact O-N 3.25Å; Y545-Q547 VanDerWaalsContact C-N 3.27Å; Y545-Q547 PolarHBondContact O-N 2.72Å; Y545-I548 HydrophobicContact CD2-CD1 4.43Å; Y545-I548 WeakPolarHBondContact O-CB 3.27Å; Y545-I548 PolarHBondContact O-N 3.03Å; Y545-C549 WeakPolarHBondContact CE1-SG 3.41Å; Y545-C549 PolarHBondContact O-N 2.87Å; Y545-C549 VanDerWaalsContact O-N 3.08Å; Y545-C549 PolarHBondContact O-SG 3.03Å; Y545-C549 VanDerWaalsContact O-SG 3.39Å
546	D	97.3	Very high	96.8	Very high	44 Å²	44	59 Å²	59	24%	0.235	30%	0.296	C	S	.	.	H	α-helix	trans	-59.1	-41.1	173.2	-77.2	-0.6	0	0	0	110.7	R246 V542 A543 C549 E550	R246-D546 IonicContact CZ-OD1 3.55Å; R246-D546 IonicContact CZ-OD2 3.6Å; R246-D546 IonicContact NE-OD1 3.02Å; R246-D546 PolarHBondContact NE-OD1 3.11Å; R246-D546 IonicContact NE-OD2 3Å; R246-D546 PolarHBondContact NE-OD2 3.37Å; R246-D546 IonicContact NH2-OD1 2.87Å; R246-D546 PolarHBondContact NH2-OD1 3.27Å; R246-D546 IonicContact NH2-OD2 3.81Å; R246-D546 PolarHBondContact NH2-OD2 3.47Å; V542-D546 PolarHBondContact O-N 2.74Å; A543-D546 PolarHBondContact O-N 2.8Å; D546-C549 PolarHBondContact O-N 3.28Å; D546-E550 PolarHBondContact O-N 2.68Å
547	Q	97.7	Very high	96.6	Very high	106 Å²	106	59 Å²	59	50%	0.495	29%	0.294	S	S	.	.	H	α-helix	trans	-62	-44.3	174.9	-171.7	62.7	51.4	0	0	112.3	A543 Y545 C549 E550 D551	A543-Q547 WeakPolarHBondContact O-CB 3.49Å; A543-Q547 PolarHBondContact O-N 2.76Å; Y545-Q547 VanDerWaalsContact C-N 3.27Å; Y545-Q547 PolarHBondContact O-N 2.72Å; Q547-C549 VanDerWaalsContact C-N 3.26Å; Q547-C549 PolarHBondContact O-N 3.03Å; Q547-E550 PolarHBondContact O-N 2.83Å; Q547-D551 PolarHBondContact NE2-OD1 3.34Å; Q547-D551 WeakPolarHBondContact O-CB 3.5Å; Q547-D551 VanDerWaalsContact O-CG 3.24Å; Q547-D551 PolarHBondContact O-N 3.18Å
548	I	97.2	Very high	96.5	Very high	65 Å²	65	62.9 Å²	62.9	33%	0.333	31%	0.31	S	S	.	.	H	α-helix	trans	-57.3	-41.1	176.1	-69.9	166.8	0	0	0	111.1	L309 K544 Y545 A552	L309-I548 HydrophobicContact CD1-CG2 3.78Å; K544-I548 WeakPolarHBondContact O-CG1 3.36Å; K544-I548 PolarHBondContact O-N 3.06Å; Y545-I548 HydrophobicContact CD2-CD1 4.43Å; Y545-I548 WeakPolarHBondContact O-CB 3.27Å; Y545-I548 PolarHBondContact O-N 3.03Å; I548-A552 WeakPolarHBondContact O-CB 3.38Å; I548-A552 PolarHBondContact O-N 3.37Å; I548-A552 VanDerWaalsContact O-N 3.14Å
549	C	97.6	Very high	96.2	Very high	0 Å²	0	66.1 Å²	66.1	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-69.1	-41.5	178.2	-64.4	0	0	0	0	111.9	F250 F313 Y545 D546 Q547 A552 Y553	F250-C549 HydrophobicContact CB-CB 4.44Å; F250-C549 HydrophobicContact CD1-CB 3.91Å; F250-C549 HydrophobicContact CD2-CB 3.56Å; F250-C549 HydrophobicContact CE1-CB 3.96Å; F250-C549 HydrophobicContact CE2-CB 3.61Å; F250-C549 HydrophobicContact CG-CB 3.71Å; F250-C549 HydrophobicContact CZ-CB 3.81Å; F250-C549 WeakPolarHBondContact CZ-O 3.43Å; F313-C549 WeakPolarHBondContact CE2-O 3.33Å; Y545-C549 WeakPolarHBondContact CE1-SG 3.41Å; Y545-C549 PolarHBondContact O-N 2.87Å; Y545-C549 VanDerWaalsContact O-N 3.08Å; Y545-C549 PolarHBondContact O-SG 3.03Å; Y545-C549 VanDerWaalsContact O-SG 3.39Å; D546-C549 PolarHBondContact O-N 3.28Å; Q547-C549 VanDerWaalsContact C-N 3.26Å; Q547-C549 PolarHBondContact O-N 3.03Å; C549-A552 PolarHBondContact O-N 2.79Å; C549-Y553 VanDerWaalsContact O-CB 3.3Å; C549-Y553 WeakPolarHBondContact O-CB 3.48Å; C549-Y553 PolarHBondContact O-N 2.9Å
550	E	97.7	Very high	95.9	Very high	59 Å²	59	66.8 Å²	66.8	28%	0.276	33%	0.334	S	S	.	.	H	α-helix	trans	-65.9	-43	177.9	-163.2	65.7	-143.8	0	0	111.7	F250 K254 D546 Q547 A552 Y553 E554	F250-E550 WeakPolarHBondContact CE2-OE2 3.31Å; K254-E550 VanDerWaalsContact CE-OE2 3.31Å; K254-E550 WeakPolarHBondContact CE-OE2 3.45Å; K254-E550 IonicContact NZ-OE1 3.44Å; K254-E550 PolarHBondContact NZ-OE1 2.99Å; K254-E550 IonicContact NZ-OE2 3.42Å; K254-E550 PolarHBondContact NZ-OE2 3.23Å; D546-E550 PolarHBondContact O-N 2.68Å; Q547-E550 PolarHBondContact O-N 2.83Å; E550-A552 PolarHBondContact O-N 2.8Å; E550-Y553 WeakPolarHBondContact O-CB 3.43Å; E550-Y553 PolarHBondContact O-N 3.47Å; E550-E554 PolarHBondContact O-N 2.9Å
551	D	97.4	Very high	95.6	Very high	92 Å²	92	64.9 Å²	64.9	49%	0.492	33%	0.326	S	S	.	.	H	α-helix	trans	-60.1	-45.2	176.5	-68.7	-17.6	0	0	0	111.5	Q547 Y553 E554 L555	Q547-D551 PolarHBondContact NE2-OD1 3.34Å; Q547-D551 WeakPolarHBondContact O-CB 3.5Å; Q547-D551 VanDerWaalsContact O-CG 3.24Å; Q547-D551 PolarHBondContact O-N 3.18Å; D551-Y553 VanDerWaalsContact C-N 3.33Å; D551-E554 PolarHBondContact O-N 2.75Å; D551-L555 PolarHBondContact O-N 2.81Å
552	A	96.8	Very high	95.3	Very high	14 Å²	14	63.8 Å²	63.8	12%	0.116	32%	0.322	C	S	.	.	H	α-helix	trans	-67.1	-34	176.9	0	0	0	0	0	112.7	L309 F313 I548 C549 E550 L555 A556	L309-A552 HydrophobicContact CB-CB 3.39Å; L309-A552 HydrophobicContact CD1-CB 4.09Å; L309-A552 HydrophobicContact CG-CB 4.38Å; F313-A552 HydrophobicContact CD2-CB 4.13Å; F313-A552 HydrophobicContact CE2-CB 3.81Å; I548-A552 WeakPolarHBondContact O-CB 3.38Å; I548-A552 PolarHBondContact O-N 3.37Å; I548-A552 VanDerWaalsContact O-N 3.14Å; C549-A552 PolarHBondContact O-N 2.79Å; E550-A552 PolarHBondContact O-N 2.8Å; A552-L555 PolarHBondContact O-N 3.2Å; A552-A556 WeakPolarHBondContact O-CB 3.39Å; A552-A556 PolarHBondContact O-N 2.97Å
553	Y	96.7	Very high	94.9	Very high	44 Å²	44	68.1 Å²	68.1	17%	0.173	34%	0.336	C	S	.	.	H	α-helix	trans	-66.3	-42.2	174.3	176.4	-112.1	0	0	0	111.9	F250 K254 W255 C549 E550 D551 L555 A556 K557	F250-Y553 HydrophobicContact CZ-CG 4.17Å; K254-Y553 HydrophobicContact CD-CD1 4.21Å; K254-Y553 HydrophobicContact CD-CE1 3.82Å; K254-Y553 HydrophobicContact CD-CE2 4.21Å; K254-Y553 HydrophobicContact CG-CE2 4.49Å; K254-Y553 VanDerWaalsContact NZ-CE1 3.31Å; W255-Y553 AromaticContact CH2-CD2 3.8Å; W255-Y553 HydrophobicContact CH2-CD2 3.8Å; W255-Y553 HydrophobicContact CH2-CE2 4.04Å; W255-Y553 AromaticContact CZ2-CD2 3.94Å; W255-Y553 HydrophobicContact CZ2-CD2 3.94Å; W255-Y553 AromaticContact CZ2-CE2 3.75Å; W255-Y553 HydrophobicContact CZ2-CE2 3.75Å; C549-Y553 VanDerWaalsContact O-CB 3.3Å; C549-Y553 WeakPolarHBondContact O-CB 3.48Å; C549-Y553 PolarHBondContact O-N 2.9Å; E550-Y553 WeakPolarHBondContact O-CB 3.43Å; E550-Y553 PolarHBondContact O-N 3.47Å; D551-Y553 VanDerWaalsContact C-N 3.33Å; Y553-L555 VanDerWaalsContact C-N 3.28Å; Y553-L555 PolarHBondContact O-N 3.45Å; Y553-A556 PolarHBondContact O-N 2.79Å; Y553-K557 HydrophobicContact CE1-CD 4.31Å; Y553-K557 VanDerWaalsContact CE1-NZ 3.27Å; Y553-K557 WeakPolarHBondContact O-CG 3.43Å; Y553-K557 PolarHBondContact O-N 3.48Å; Y553-K557 WeakPolarHBondContact OH-CE 3.17Å
554	E	96.7	Very high	94.6	Very high	77 Å²	77	66.1 Å²	66.1	36%	0.36	32%	0.317	S	S	.	.	H	α-helix	trans	-65.9	-30.6	173.3	-70.3	-55.2	131.2	0	0	112.7	E550 D551 K557 K558	E550-E554 PolarHBondContact O-N 2.9Å; D551-E554 PolarHBondContact O-N 2.75Å; E554-K557 IonicContact OE1-NZ 3.75Å; E554-K557 PolarHBondContact OE1-NZ 3.29Å; E554-K557 IonicContact OE2-NZ 2.7Å; E554-K558 WeakPolarHBondContact O-CG 3.42Å
555	L	95.2	Very high	94.2	Very high	76 Å²	76	67.5 Å²	67.5	40%	0.398	32%	0.319	S	S	.	.	H	α-helix	trans	-70.4	-43.4	171.2	-176.4	60.6	0	0	0	111.8	D310 D551 A552 Y553 K557 K558	D310-L555 HydrophobicContact CB-CB 4.07Å; D310-L555 HydrophobicContact CB-CD2 3.88Å; D310-L555 HydrophobicContact CB-CG 3.89Å; D310-L555 WeakPolarHBondContact OD2-CD2 3.34Å; D551-L555 PolarHBondContact O-N 2.81Å; A552-L555 PolarHBondContact O-N 3.2Å; Y553-L555 VanDerWaalsContact C-N 3.28Å; Y553-L555 PolarHBondContact O-N 3.45Å; L555-K557 VanDerWaalsContact C-N 3.31Å; L555-K557 PolarHBondContact O-N 3.04Å; L555-K558 WeakPolarHBondContact O-CB 3.42Å; L555-K558 PolarHBondContact O-N 3.05Å
556	A	93.9	Very high	93.8	Very high	9 Å²	9	69.1 Å²	69.1	7%	0.074	33%	0.334	C	S	.	.	H	α-helix	trans	-58.9	-41	177.6	0	0	0	0	0	112	D310 F313 A552 Y553 K558 R559	D310-A556 HydrophobicContact CB-CB 4.24Å; F313-A556 HydrophobicContact CB-CB 3.75Å; A552-A556 WeakPolarHBondContact O-CB 3.39Å; A552-A556 PolarHBondContact O-N 2.97Å; Y553-A556 PolarHBondContact O-N 2.79Å; A556-K558 PolarHBondContact O-N 3.26Å; A556-K558 VanDerWaalsContact O-N 3.14Å; A556-R559 WeakPolarHBondContact O-CB 3.09Å; A556-R559 PolarHBondContact O-N 3.37Å
557	K	92.8	Very high	93.5	Very high	110 Å²	110	67.6 Å²	67.6	48%	0.478	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59	-24	174.9	-75.4	179	179.9	166.4	0	114.6	Y553 E554 L555	Y553-K557 HydrophobicContact CE1-CD 4.31Å; Y553-K557 VanDerWaalsContact CE1-NZ 3.27Å; Y553-K557 WeakPolarHBondContact O-CG 3.43Å; Y553-K557 PolarHBondContact O-N 3.48Å; Y553-K557 WeakPolarHBondContact OH-CE 3.17Å; E554-K557 IonicContact OE1-NZ 3.75Å; E554-K557 PolarHBondContact OE1-NZ 3.29Å; E554-K557 IonicContact OE2-NZ 2.7Å; L555-K557 VanDerWaalsContact C-N 3.31Å; L555-K557 PolarHBondContact O-N 3.04Å
558	K	93.2	Very high	93.2	Very high	157 Å²	157	64.5 Å²	64.5	68%	0.683	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.4	-10.9	179.6	-64	169.5	-172.1	173.3	0	112.2	E554 L555 A556	E554-K558 WeakPolarHBondContact O-CG 3.42Å; L555-K558 WeakPolarHBondContact O-CB 3.42Å; L555-K558 PolarHBondContact O-N 3.05Å; A556-K558 PolarHBondContact O-N 3.26Å; A556-K558 VanDerWaalsContact O-N 3.14Å
559	R	90.1	Very high	92.7	Very high	108 Å²	108	61.7 Å²	61.7	41%	0.408	30%	0.297	S	S	.	.			trans	-74.6	137.2	175.9	-60.5	-67.2	-168.2	159.9	5.2	109.1	D310 C314 L320 A556	D310-R559 IonicContact OD2-CZ 3.86Å; D310-R559 IonicContact OD2-NE 3.26Å; D310-R559 PolarHBondContact OD2-NE 3.29Å; D310-R559 IonicContact OD2-NH2 3.42Å; D310-R559 PolarHBondContact OD2-NH2 3.29Å; C314-R559 VanDerWaalsContact SG-CG 3.53Å; L320-R559 WeakPolarHBondContact CD2-O 3.49Å; A556-R559 WeakPolarHBondContact O-CB 3.09Å; A556-R559 PolarHBondContact O-N 3.37Å
560	T	90.4	Very high	92	Very high	117 Å²	117	62.2 Å²	62.2	72%	0.718	30%	0.301	S	S	*	.			trans	-107.7	-14.5	178.7	53.3	0	0	0	0	112.9
561	V	90.3	Very high	91	Very high	46 Å²	46	61.5 Å²	61.5	28%	0.279	30%	0.301	S	S	.	.			trans	-145.2	160	-178.5	-63.5	0	0	0	0	110.2	E321 C323 Y563	E321-V561 WeakPolarHBondContact O-CA 3.39Å; C323-V561 HydrophobicContact CB-CB 4.16Å; C323-V561 HydrophobicContact CB-CG1 4.41Å; C323-V561 HydrophobicContact CB-CG2 4.25Å; V561-Y563 HydrophobicContact CG2-CE2 3.8Å
562	T	89.9	Confident	90.6	Very high	18 Å²	18	58.2 Å²	58.2	11%	0.11	28%	0.282	C	S	.	.	B	Isolated β-bridge	trans	-111	167.9	167.1	59.5	0	0	0	0	111	C314 L320 E321 A322 C323	C314-T562 HydrophobicContact CB-CG2 4.04Å; L320-T562 HydrophobicContact CB-CG2 3.89Å; L320-T562 HydrophobicContact CD1-CG2 3.94Å; E321-T562 PolarHBondContact O-N 3.25Å; E321-T562 PolarHBondContact O-OG1 3.32Å; A322-T562 WeakPolarHBondContact CA-O 3.27Å; C323-T562 PolarHBondContact N-O 2.74Å
563	Y	90.9	Very high	89.8	Confident	115 Å²	115	64.4 Å²	64.4	45%	0.451	31%	0.308	S	S	.	.			trans	-132.3	118.3	176.9	-64	-87.7	0	0	0	109.6	C323 D324 V561 R565 A566	C323-Y563 HydrophobicContact CB-CD1 4.23Å; C323-Y563 HydrophobicContact CB-CE1 3.79Å; D324-Y563 WeakPolarHBondContact OD1-CA 3.37Å; V561-Y563 HydrophobicContact CG2-CE2 3.8Å; Y563-R565 VanDerWaalsContact C-N 3.3Å; Y563-R565 PolarHBondContact O-N 3.38Å; Y563-A566 VanDerWaalsContact O-CB 3.3Å; Y563-A566 WeakPolarHBondContact O-CB 3.4Å; Y563-A566 PolarHBondContact O-N 3.02Å
564	N	90.2	Very high	89.2	Confident	15 Å²	15	68.3 Å²	68.3	8%	0.08	33%	0.332	C	S	.	.	G	3₁₀ helix	trans	-63.7	-38.1	176.8	-68.5	-31.2	0	0	0	111.1	D324 E325 G326 A566 W567 V749	D324-N564 VanDerWaalsContact CG-N 3.34Å; D324-N564 PolarHBondContact OD1-N 3.08Å; D324-N564 PolarHBondContact OD2-N 2.93Å; D324-N564 VanDerWaalsContact OD2-N 3.13Å; E325-N564 PolarHBondContact O-ND2 3.49Å; G326-N564 PolarHBondContact O-ND2 2.92Å; N564-A566 PolarHBondContact O-N 3.14Å; N564-A566 VanDerWaalsContact O-N 3.1Å; N564-W567 PolarHBondContact O-N 3.04Å; N564-V749 HydrophobicContact CB-CG2 3.51Å
565	R	89.4	Confident	88.9	Confident	140 Å²	140	65 Å²	65	53%	0.528	32%	0.317	S	S	.	.	G	3₁₀ helix	trans	-60.6	-19.7	176.9	-71.5	170.6	178.9	-177.9	1.3	113.9	D324 E325 Y563 W567 I568 V749	D324-R565 VanDerWaalsContact OD2-CB 3.32Å; D324-R565 WeakPolarHBondContact OD2-CB 3.35Å; D324-R565 WeakPolarHBondContact OD2-CG 3.35Å; D324-R565 PolarHBondContact OD2-N 3.04Å; E325-R565 IonicContact OE1-CZ 3.6Å; E325-R565 IonicContact OE1-NE 2.79Å; E325-R565 IonicContact OE1-NH2 2.7Å; E325-R565 PolarHBondContact OE1-NH2 3.02Å; Y563-R565 VanDerWaalsContact C-N 3.3Å; Y563-R565 PolarHBondContact O-N 3.38Å; R565-W567 PolarHBondContact O-N 3.48Å; R565-W567 VanDerWaalsContact O-N 3.17Å; R565-I568 HydrophobicContact CB-CD1 4.02Å; R565-I568 HydrophobicContact CG-CD1 4.07Å; R565-I568 WeakPolarHBondContact O-CG1 3.22Å; R565-I568 PolarHBondContact O-N 3.45Å; R565-V749 HydrophobicContact CG-CB 4.32Å; R565-V749 HydrophobicContact CG-CG1 3.81Å; R565-V749 HydrophobicContact CG-CG2 4.49Å
566	A	88.1	Confident	88.6	Confident	40 Å²	40	66 Å²	66	33%	0.331	32%	0.318	S	S	.	.	G	3₁₀ helix	trans	-67.4	-10.4	175.3	0	0	0	0	0	113.4	K307 Y563 N564	K307-A566 PolarHBondContact NZ-O 2.86Å; Y563-A566 VanDerWaalsContact O-CB 3.3Å; Y563-A566 WeakPolarHBondContact O-CB 3.4Å; Y563-A566 PolarHBondContact O-N 3.02Å; N564-A566 PolarHBondContact O-N 3.14Å; N564-A566 VanDerWaalsContact O-N 3.1Å
567	W	91.2	Very high	88.3	Confident	11 Å²	11	71 Å²	71	4%	0.042	34%	0.34	C	S	.	.	G	3₁₀ helix	trans	-112.8	15.7	-177.5	-56.8	97.2	0	0	0	113.3	L301 K307 D311 V312 Q315 L334 G335 N564 R565 D569	L301-W567 HydrophobicContact CD1-CZ3 4.28Å; K307-W567 HydrophobicContact CD-CE3 4.39Å; K307-W567 HydrophobicContact CD-CH2 4.32Å; K307-W567 HydrophobicContact CD-CZ3 3.99Å; K307-W567 HydrophobicContact CG-CH2 4Å; K307-W567 HydrophobicContact CG-CZ3 3.89Å; D311-W567 HydrophobicContact CB-CZ2 4.27Å; V312-W567 HydrophobicContact CG2-CH2 4.06Å; Q315-W567 HydrophobicContact CG-CH2 4.28Å; Q315-W567 HydrophobicContact CG-CZ2 3.59Å; L334-W567 HydrophobicContact CB-CB 4.11Å; L334-W567 HydrophobicContact CB-CD2 3.71Å; L334-W567 HydrophobicContact CB-CE3 3.5Å; L334-W567 HydrophobicContact CB-CG 3.98Å; L334-W567 HydrophobicContact CB-CZ3 4.16Å; L334-W567 HydrophobicContact CD1-CD2 3.64Å; L334-W567 HydrophobicContact CD1-CE3 4.03Å; L334-W567 HydrophobicContact CD1-CG 3.99Å; L334-W567 HydrophobicContact CD1-CH2 4.35Å; L334-W567 HydrophobicContact CD1-CZ2 3.98Å; L334-W567 HydrophobicContact CD1-CZ3 4.37Å; L334-W567 HydrophobicContact CD2-CB 4.45Å; L334-W567 HydrophobicContact CD2-CG 4.35Å; L334-W567 HydrophobicContact CG-CD2 4.21Å; L334-W567 HydrophobicContact CG-CE3 4.4Å; L334-W567 HydrophobicContact CG-CG 4.33Å; G335-W567 CarbonylContact C-O 3.58Å; G335-W567 WeakPolarHBondContact CA-O 3.22Å; G335-W567 CarbonylContact O-C 3.55Å; G335-W567 VanDerWaalsContact O-CA 3.25Å; G335-W567 WeakPolarHBondContact O-CA 3.3Å; G335-W567 WeakPolarHBondContact O-CB 3.45Å; N564-W567 PolarHBondContact O-N 3.04Å; R565-W567 PolarHBondContact O-N 3.48Å; R565-W567 VanDerWaalsContact O-N 3.17Å; W567-D569 PolarHBondContact O-N 2.83Å
568	I	91	Very high	88	Confident	41 Å²	41	73.8 Å²	73.8	21%	0.21	36%	0.36	C	S	.	.			trans	-65.9	128.9	175.4	-70.7	170.4	0	0	0	109.8	M336 S337 R565	M336-I568 CarbonylContact C-O 3.17Å; M336-I568 WeakPolarHBondContact CA-O 3.43Å; S337-I568 PolarHBondContact N-O 3.04Å; S337-I568 VanDerWaalsContact N-O 3.13Å; R565-I568 HydrophobicContact CB-CD1 4.02Å; R565-I568 HydrophobicContact CG-CD1 4.07Å; R565-I568 WeakPolarHBondContact O-CG1 3.22Å; R565-I568 PolarHBondContact O-N 3.45Å
569	D	86.2	Confident	87.8	Confident	7 Å²	7	70 Å²	70	4%	0.037	34%	0.344	C	S	.	.	S	Bend	trans	-89.7	-12.1	-176.2	74.7	-23.4	0	0	0	114.1	S337 V353 C354 K370 W567 R750	S337-D569 VanDerWaalsContact CB-C 3.46Å; S337-D569 WeakPolarHBondContact CB-O 3.25Å; V353-D569 WeakPolarHBondContact O-CB 3.36Å; C354-D569 WeakPolarHBondContact CA-OD2 3.26Å; K370-D569 PolarHBondContact NZ-O 3.41Å; K370-D569 IonicContact NZ-OD1 3.62Å; K370-D569 IonicContact NZ-OD2 3.35Å; K370-D569 PolarHBondContact NZ-OD2 3.44Å; W567-D569 PolarHBondContact O-N 2.83Å; D569-R750 WeakPolarHBondContact OD1-CD 3.44Å; D569-R750 IonicContact OD1-NE 3.57Å
570	S	83.5	Confident	87.9	Confident	11 Å²	11	69.5 Å²	69.5	8%	0.077	35%	0.349	C	S	.	.	S	Bend	trans	-143.9	85.2	180	-84.4	0	0	0	0	109.6	K370 W572 L713 R750	K370-S570 WeakPolarHBondContact CE-OG 3.48Å; K370-S570 PolarHBondContact NZ-OG 3.18Å; S570-W572 PolarHBondContact O-N 2.78Å; S570-L713 VanDerWaalsContact CB-O 3.31Å; S570-L713 WeakPolarHBondContact CB-O 3.44Å; S570-L713 PolarHBondContact OG-O 3.17Å; S570-R750 VanDerWaalsContact CB-CZ 3.45Å; S570-R750 PolarHBondContact O-NH1 2.99Å; S570-R750 PolarHBondContact O-NH2 3.29Å
571	P	77	Confident	87.8	Confident	44 Å²	44	66.9 Å²	66.9	29%	0.286	33%	0.334	S	S	.	.			trans	-70.8	122.3	-174	29.3	-35.4	0	0	0	110.6	S337 H573	S337-P571 VanDerWaalsContact OG-CD 3.25Å; S337-P571 WeakPolarHBondContact OG-CD 3.43Å; P571-H573 VanDerWaalsContact C-N 3.27Å; P571-H573 VanDerWaalsContact CB-CE1 3.44Å; P571-H573 WeakPolarHBondContact CB-CE1 3.47Å; P571-H573 VanDerWaalsContact CB-NE2 3.3Å; P571-H573 WeakPolarHBondContact CB-NE2 3.42Å; P571-H573 VanDerWaalsContact CG-NE2 3.27Å; P571-H573 WeakPolarHBondContact CG-NE2 3.48Å; P571-H573 PolarHBondContact O-N 3.07Å
572	W	89.7	Confident	87.9	Confident	22 Å²	22	67 Å²	67	8%	0.083	33%	0.332	C	S	.	.			trans	-91.7	59.9	172.3	-61.6	-19.7	0	0	0	109.9	S570 N574 F575 F576 L713 T714 P716 R750 Q751 R829	S570-W572 PolarHBondContact O-N 2.78Å; W572-N574 VanDerWaalsContact C-N 3.27Å; W572-N574 PolarHBondContact O-N 2.9Å; W572-N574 VanDerWaalsContact O-N 3.11Å; W572-F575 HydrophobicContact CB-CB 3.72Å; W572-F575 AromaticContact CE3-CD1 3.9Å; W572-F575 HydrophobicContact CE3-CD1 3.9Å; W572-F575 HydrophobicContact CE3-CE1 4.35Å; W572-F575 HydrophobicContact CE3-CG 4.46Å; W572-F575 HydrophobicContact CZ3-CD1 4.49Å; W572-F575 HydrophobicContact CZ3-CE1 4.5Å; W572-F575 PolarHBondContact O-N 3.06Å; W572-F576 HydrophobicContact CB-CE2 4.25Å; W572-F576 HydrophobicContact CE3-CE2 4.2Å; W572-F576 AromaticContact CE3-CZ 3.9Å; W572-F576 HydrophobicContact CE3-CZ 3.9Å; W572-F576 HydrophobicContact CZ3-CZ 4.45Å; W572-L713 PolarHBondContact NE1-O 2.92Å; W572-L713 VanDerWaalsContact NE1-O 3.09Å; W572-T714 PolarHBondContact NE1-O 3.22Å; W572-P716 HydrophobicContact CB-CG 4.22Å; W572-P716 HydrophobicContact CD2-CB 3.59Å; W572-P716 HydrophobicContact CD2-CG 3.62Å; W572-P716 HydrophobicContact CE3-CB 3.57Å; W572-P716 HydrophobicContact CE3-CG 4.01Å; W572-P716 HydrophobicContact CG-CB 4.27Å; W572-P716 HydrophobicContact CG-CG 3.75Å; W572-P716 HydrophobicContact CH2-CB 3.77Å; W572-P716 HydrophobicContact CZ2-CB 3.76Å; W572-P716 HydrophobicContact CZ2-CG 4.44Å; W572-P716 HydrophobicContact CZ3-CB 3.67Å; W572-R750 VanDerWaalsContact CZ2-NH2 3.34Å; W572-Q751 HydrophobicContact CH2-CB 4.21Å; W572-Q751 WeakPolarHBondContact CH2-O 3.24Å; W572-Q751 HydrophobicContact CZ3-CB 3.84Å; W572-R829 HydrophobicContact CH2-CB 4.02Å; W572-R829 HydrophobicContact CH2-CG 3.85Å; W572-R829 HydrophobicContact CZ3-CB 4.01Å; W572-R829 HydrophobicContact CZ3-CG 3.78Å
573	H	79.2	Confident	88	Confident	145 Å²	145	72.7 Å²	72.7	67%	0.671	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48	-45.7	-167.8	-68.9	-64.7	0	0	0	113.6	P571	P571-H573 VanDerWaalsContact C-N 3.27Å; P571-H573 VanDerWaalsContact CB-CE1 3.44Å; P571-H573 WeakPolarHBondContact CB-CE1 3.47Å; P571-H573 VanDerWaalsContact CB-NE2 3.3Å; P571-H573 WeakPolarHBondContact CB-NE2 3.42Å; P571-H573 VanDerWaalsContact CG-NE2 3.27Å; P571-H573 WeakPolarHBondContact CG-NE2 3.48Å; P571-H573 PolarHBondContact O-N 3.07Å
574	N	84.9	Confident	88	Confident	126 Å²	126	70.2 Å²	70.2	67%	0.674	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.5	-13.8	-174.7	-54.1	-11.5	0	0	0	113.4	W572 F576 E577	W572-N574 VanDerWaalsContact C-N 3.27Å; W572-N574 PolarHBondContact O-N 2.9Å; W572-N574 VanDerWaalsContact O-N 3.11Å; N574-F576 PolarHBondContact O-N 3.27Å; N574-E577 PolarHBondContact O-N 3.45Å
575	F	90.1	Very high	88	Confident	7 Å²	7	70.1 Å²	70.1	3%	0.031	35%	0.347	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-34.8	-167.4	174.6	-103.9	0	0	0	112.9	W572 K579 P716 E717 R829	W572-F575 HydrophobicContact CB-CB 3.72Å; W572-F575 AromaticContact CE3-CD1 3.9Å; W572-F575 HydrophobicContact CE3-CD1 3.9Å; W572-F575 HydrophobicContact CE3-CE1 4.35Å; W572-F575 HydrophobicContact CE3-CG 4.46Å; W572-F575 HydrophobicContact CZ3-CD1 4.49Å; W572-F575 HydrophobicContact CZ3-CE1 4.5Å; W572-F575 PolarHBondContact O-N 3.06Å; F575-K579 WeakPolarHBondContact O-CD 3.34Å; F575-K579 WeakPolarHBondContact O-CE 3.24Å; F575-K579 PolarHBondContact O-NZ 3.4Å; F575-P716 HydrophobicContact CB-CG 3.77Å; F575-P716 HydrophobicContact CD1-CB 4.09Å; F575-P716 HydrophobicContact CD1-CG 4.24Å; F575-P716 HydrophobicContact CD2-CB 3.57Å; F575-P716 HydrophobicContact CD2-CG 3.38Å; F575-P716 HydrophobicContact CE1-CB 4.21Å; F575-P716 HydrophobicContact CE2-CB 3.69Å; F575-P716 HydrophobicContact CE2-CG 4.04Å; F575-P716 HydrophobicContact CG-CB 3.78Å; F575-P716 HydrophobicContact CG-CG 3.5Å; F575-P716 HydrophobicContact CZ-CB 4.04Å; F575-E717 HydrophobicContact CD2-CG 4.12Å; F575-E717 HydrophobicContact CE2-CG 4.34Å; F575-R829 HydrophobicContact CE1-CG 4.5Å; F575-R829 HydrophobicContact CZ-CG 4.32Å
576	F	88.3	Confident	88.2	Confident	97 Å²	97	67.4 Å²	67.4	43%	0.425	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90	-10.6	-178.4	-58.7	-70.3	0	0	0	113	W572 N574	W572-F576 HydrophobicContact CB-CE2 4.25Å; W572-F576 HydrophobicContact CE3-CE2 4.2Å; W572-F576 AromaticContact CE3-CZ 3.9Å; W572-F576 HydrophobicContact CE3-CZ 3.9Å; W572-F576 HydrophobicContact CZ3-CZ 4.45Å; N574-F576 PolarHBondContact O-N 3.27Å
577	E	87.8	Confident	88.6	Confident	114 Å²	114	65.6 Å²	65.6	53%	0.533	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.5	135.1	-178.7	-63.2	-176.5	169.7	0	0	110.6	N574 K579	N574-E577 PolarHBondContact O-N 3.45Å; E577-K579 PolarHBondContact O-N 2.96Å
578	N	87.1	Confident	88.9	Confident	168 Å²	168	65.7 Å²	65.7	90%	0.898	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.3	19.7	177.6	-48.4	-57.1	0	0	0	115.7
579	K	88.3	Confident	89.3	Confident	79 Å²	79	64.2 Å²	64.2	34%	0.343	33%	0.325	S	S	.	.			trans	-105.3	129.9	173.8	-64.8	-171.3	-174.9	163.3	0	110.9	F575 E577 P581 P827	F575-K579 WeakPolarHBondContact O-CD 3.34Å; F575-K579 WeakPolarHBondContact O-CE 3.24Å; F575-K579 PolarHBondContact O-NZ 3.4Å; E577-K579 PolarHBondContact O-N 2.96Å; K579-P581 WeakPolarHBondContact O-CD 3.27Å; K579-P827 HydrophobicContact CB-CB 3.99Å; K579-P827 HydrophobicContact CD-CB 4.29Å
580	D	91.3	Very high	89.8	Confident	97 Å²	97	69.1 Å²	69.1	52%	0.519	35%	0.348	S	S	.	.			trans	-78.7	114.8	167.7	179.1	0.2	0	0	0	108.9	M582 Y583 P827	D580-M582 PolarHBondContact O-N 3.26Å; D580-M582 VanDerWaalsContact O-N 3.14Å; D580-M582 PolarHBondContact OD1-N 3.3Å; D580-Y583 PolarHBondContact O-N 2.69Å; D580-P827 WeakPolarHBondContact O-CB 3.48Å; D580-P827 WeakPolarHBondContact O-CG 3.41Å
581	P	89.1	Confident	90.4	Very high	61 Å²	61	70.1 Å²	70.1	40%	0.396	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-17.9	179.7	27.5	-35.5	0	0	0	113.3	K579 M797	K579-P581 WeakPolarHBondContact O-CD 3.27Å; P581-M797 WeakPolarHBondContact O-CE 3.45Å
582	M	93.5	Very high	91.4	Very high	48 Å²	48	72.3 Å²	72.3	24%	0.236	36%	0.364	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.9	1.2	-179.2	-61.2	-62.7	115.8	0	0	113.4	D580 L584 N794 M797 H801	D580-M582 PolarHBondContact O-N 3.26Å; D580-M582 VanDerWaalsContact O-N 3.14Å; D580-M582 PolarHBondContact OD1-N 3.3Å; M582-L584 PolarHBondContact O-N 2.71Å; M582-N794 HydrophobicContact CB-CB 4.33Å; M582-N794 HydrophobicContact SD-CB 4.31Å; M582-M797 WeakPolarHBondContact O-CG 3.25Å; M582-H801 HydrophobicContact CE-CB 4.33Å
583	Y	91.9	Very high	91.8	Very high	138 Å²	138	71.3 Å²	71.3	54%	0.541	36%	0.36	S	S	.	.			trans	-78.3	119.6	177.1	176.1	-109	0	0	0	111.9	D580 P585 M797	D580-Y583 PolarHBondContact O-N 2.69Å; Y583-P585 HydrophobicContact CE1-CB 4.01Å; Y583-P585 WeakPolarHBondContact O-CD 3.48Å; Y583-M797 VanDerWaalsContact O-CE 3.24Å; Y583-M797 WeakPolarHBondContact O-CE 3.41Å
584	L	90.1	Very high	92.7	Very high	63 Å²	63	64.4 Å²	64.4	33%	0.33	33%	0.328	S	S	.	.			trans	-87.8	113	171.6	-174.3	64.8	0	0	0	109.9	M582 V796 M797 L800	M582-L584 PolarHBondContact O-N 2.71Å; L584-V796 HydrophobicContact CD2-CG1 4.45Å; L584-M797 HydrophobicContact CB-CG 3.67Å; L584-M797 HydrophobicContact CB-SD 3.84Å; L584-M797 HydrophobicContact CD1-CG 4.2Å; L584-M797 HydrophobicContact CD1-SD 3.51Å; L584-M797 VanDerWaalsContact CD1-SD 3.51Å; L584-M797 HydrophobicContact CG-CG 4.47Å; L584-M797 HydrophobicContact CG-SD 4.27Å; L584-L800 HydrophobicContact CD1-CD1 4.45Å
585	P	91.2	Very high	93.3	Very high	13 Å²	13	61.4 Å²	61.4	8%	0.084	31%	0.31	C	S	.	.			trans	-75.1	145.5	-178.1	31	-37.9	0	0	0	112.7	Y583 L825	Y583-P585 HydrophobicContact CE1-CB 4.01Å; Y583-P585 WeakPolarHBondContact O-CD 3.48Å; P585-L825 HydrophobicContact CB-CB 3.7Å; P585-L825 HydrophobicContact CB-CD1 4.47Å; P585-L825 HydrophobicContact CG-CB 3.54Å
586	N	92.2	Very high	93.6	Very high	83 Å²	83	64.2 Å²	64.2	44%	0.444	32%	0.323	S	S	.	.			trans	-70.5	137.8	166.4	-166.3	-32.7	0	0	0	109.6	G588 L825 G856 S857	N586-G588 PolarHBondContact OD1-N 3.47Å; N586-L825 WeakPolarHBondContact O-CD1 3.34Å; N586-G856 PolarHBondContact ND2-N 3.36Å; N586-S857 PolarHBondContact OD1-O 3.39Å
587	T	97.5	Very high	94	Very high	3 Å²	3	59.6 Å²	59.6	2%	0.018	30%	0.303	C	S	.	.			trans	-114.4	-6.8	-175.9	47.3	0	0	0	0	113.1	F817 H818 R821 R822 L825	T587-F817 WeakPolarHBondContact O-CE1 3.41Å; T587-H818 WeakPolarHBondContact CB-ND1 3.38Å; T587-H818 PolarHBondContact OG1-ND1 3.05Å; T587-R821 HydrophobicContact CG2-CB 4.08Å; T587-R821 WeakPolarHBondContact O-CD 3.41Å; T587-R821 PolarHBondContact O-NE 3.08Å; T587-R822 HydrophobicContact CG2-CB 3.91Å; T587-L825 HydrophobicContact CG2-CD1 4.09Å
588	G	97.8	Very high	94.5	Very high	13 Å²	13	54.2 Å²	54.2	13%	0.134	28%	0.278	C	S	.	.			trans	-66.3	156.5	172.8	0	0	0	0	0	112.6	N586 M853 L854	N586-G588 PolarHBondContact OD1-N 3.47Å; G588-M853 CarbonylContact C-O 3.57Å; G588-M853 VanDerWaalsContact CA-O 3.32Å; G588-M853 WeakPolarHBondContact CA-O 3.44Å; G588-L854 WeakPolarHBondContact CA-O 3.33Å
589	V	97.9	Very high	94.9	Very high	10 Å²	10	50.6 Å²	50.6	6%	0.061	26%	0.255	C	S	.	.			trans	-133	152.2	178.7	-60.5	0	0	0	0	111	V593 L594 F817 R821 M853 L854 P855	V589-V593 HydrophobicContact CB-CB 4.45Å; V589-V593 HydrophobicContact CG2-CB 4.33Å; V589-L594 HydrophobicContact CG2-CD1 4.37Å; V589-L594 HydrophobicContact CG2-CD2 3.44Å; V589-L594 VanDerWaalsContact CG2-CD2 3.44Å; V589-L594 HydrophobicContact CG2-CG 3.77Å; V589-F817 HydrophobicContact CB-CZ 4.49Å; V589-F817 HydrophobicContact CG1-CZ 4.03Å; V589-F817 HydrophobicContact CG2-CE2 4.39Å; V589-F817 HydrophobicContact CG2-CZ 3.73Å; V589-R821 VanDerWaalsContact CG1-NH2 3.32Å; V589-M853 PolarHBondContact N-O 3.47Å; V589-L854 WeakPolarHBondContact O-CA 3.43Å; V589-L854 WeakPolarHBondContact O-CD2 3.49Å; V589-P855 WeakPolarHBondContact O-CD 3.4Å
590	E	97.5	Very high	95.3	Very high	110 Å²	110	48.5 Å²	48.5	51%	0.514	25%	0.249	S	C	.	.			trans	-57.3	147.5	178.7	-57.7	-57.9	148.5	0	0	112.2	D592 V593 P855	E590-D592 WeakPolarHBondContact CB-OD1 3.19Å; E590-D592 PolarHBondContact O-N 2.66Å; E590-V593 HydrophobicContact CB-CG2 4Å; E590-V593 VanDerWaalsContact O-CB 3.28Å; E590-V593 WeakPolarHBondContact O-CB 3.19Å; E590-V593 WeakPolarHBondContact O-CG2 3.38Å; E590-V593 PolarHBondContact O-N 2.81Å; E590-P855 WeakPolarHBondContact OE1-CG 3.41Å
591	S	96.8	Very high	95.5	Very high	31 Å²	31	44 Å²	44	22%	0.217	23%	0.225	C	C	.	.	H	α-helix	trans	-61.6	-33.4	-174.9	-172.5	0	0	0	0	112.7	V593 L594 E595	S591-V593 PolarHBondContact O-N 3.28Å; S591-L594 PolarHBondContact O-N 2.71Å; S591-E595 WeakPolarHBondContact O-CB 3.45Å; S591-E595 WeakPolarHBondContact O-CG 3.45Å; S591-E595 PolarHBondContact O-N 2.97Å; S591-E595 PolarHBondContact OG-OE1 2.89Å
592	D	97.1	Very high	95.8	Very high	90 Å²	90	41.5 Å²	41.5	48%	0.481	21%	0.209	S	C	.	.	H	α-helix	trans	-62.6	-29.7	177.8	67.6	-32.1	0	0	0	112.2	E590 H596	E590-D592 WeakPolarHBondContact CB-OD1 3.19Å; E590-D592 PolarHBondContact O-N 2.66Å; D592-H596 WeakPolarHBondContact O-CB 3.3Å; D592-H596 PolarHBondContact O-N 2.79Å
593	V	97.5	Very high	95.6	Very high	2 Å²	2	43.6 Å²	43.6	1%	0.012	22%	0.218	C	C	.	.	H	α-helix	trans	-67.6	-49.8	176.3	-167.2	0	0	0	0	110.8	V589 E590 S591 E595 H596 I597	V589-V593 HydrophobicContact CB-CB 4.45Å; V589-V593 HydrophobicContact CG2-CB 4.33Å; E590-V593 HydrophobicContact CB-CG2 4Å; E590-V593 VanDerWaalsContact O-CB 3.28Å; E590-V593 WeakPolarHBondContact O-CB 3.19Å; E590-V593 WeakPolarHBondContact O-CG2 3.38Å; E590-V593 PolarHBondContact O-N 2.81Å; S591-V593 PolarHBondContact O-N 3.28Å; V593-E595 VanDerWaalsContact C-N 3.33Å; V593-H596 PolarHBondContact O-N 3.16Å; V593-I597 HydrophobicContact CG1-CD1 3.77Å; V593-I597 WeakPolarHBondContact O-CB 3.25Å; V593-I597 WeakPolarHBondContact O-CD1 3.5Å; V593-I597 VanDerWaalsContact O-CG1 3.22Å; V593-I597 WeakPolarHBondContact O-CG1 3.03Å; V593-I597 PolarHBondContact O-N 3.41Å
594	L	98	Very high	95.5	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-63.3	-43.9	179.2	-58.5	-177.7	0	0	0	110.4	V589 S591 G598 F638 F817 F850 M853 L854	V589-L594 HydrophobicContact CG2-CD1 4.37Å; V589-L594 HydrophobicContact CG2-CD2 3.44Å; V589-L594 VanDerWaalsContact CG2-CD2 3.44Å; V589-L594 HydrophobicContact CG2-CG 3.77Å; S591-L594 PolarHBondContact O-N 2.71Å; L594-G598 PolarHBondContact O-N 2.78Å; L594-F638 HydrophobicContact CD2-CB 3.78Å; L594-F638 HydrophobicContact CD2-CD1 4.26Å; L594-F638 HydrophobicContact CD2-CD2 3.93Å; L594-F638 HydrophobicContact CD2-CG 3.75Å; L594-F638 VanDerWaalsContact O-CE1 3.3Å; L594-F638 WeakPolarHBondContact O-CE1 3.24Å; L594-F817 HydrophobicContact CD2-CE2 4.27Å; L594-F850 HydrophobicContact CB-CD2 3.95Å; L594-F850 HydrophobicContact CB-CE2 3.69Å; L594-F850 HydrophobicContact CB-CZ 4.33Å; L594-F850 HydrophobicContact CD1-CB 4.33Å; L594-F850 HydrophobicContact CD1-CD2 3.95Å; L594-F850 HydrophobicContact CD1-CE2 4.44Å; L594-F850 HydrophobicContact CD1-CG 4.1Å; L594-M853 HydrophobicContact CD1-CB 3.94Å; L594-M853 HydrophobicContact CD1-CE 4.4Å; L594-L854 HydrophobicContact CD1-CD2 4.04Å
595	E	97.4	Very high	95.5	Very high	62 Å²	62	38.2 Å²	38.2	29%	0.29	20%	0.204	S	C	.	.	H	α-helix	trans	-60.3	-50.2	177.1	-73.4	176.6	-169.7	0	0	111.2	S591 V593 G598 H599 K628 F850	S591-E595 WeakPolarHBondContact O-CB 3.45Å; S591-E595 WeakPolarHBondContact O-CG 3.45Å; S591-E595 PolarHBondContact O-N 2.97Å; S591-E595 PolarHBondContact OG-OE1 2.89Å; V593-E595 VanDerWaalsContact C-N 3.33Å; E595-G598 PolarHBondContact O-N 3.19Å; E595-H599 PolarHBondContact O-CD2 3.45Å; E595-H599 PolarHBondContact O-N 2.95Å; E595-K628 WeakPolarHBondContact OE1-CE 3.38Å; E595-K628 IonicContact OE1-NZ 2.89Å; E595-K628 PolarHBondContact OE1-NZ 3.44Å; E595-F850 HydrophobicContact CG-CE2 4.32Å
596	H	97.3	Very high	95.4	Very high	67 Å²	67	47.1 Å²	47.1	31%	0.31	24%	0.244	S	C	.	.	H	α-helix	trans	-60.5	-50	178.6	-179.4	75.8	0	0	0	113	D592 V593 G598 H599 V600 L685 Y686	D592-H596 WeakPolarHBondContact O-CB 3.3Å; D592-H596 PolarHBondContact O-N 2.79Å; V593-H596 PolarHBondContact O-N 3.16Å; H596-G598 VanDerWaalsContact C-N 3.29Å; H596-G598 PolarHBondContact O-N 2.87Å; H596-H599 PolarHBondContact O-N 3Å; H596-V600 WeakPolarHBondContact O-CG2 3.3Å; H596-V600 PolarHBondContact O-N 3.1Å; H596-V600 VanDerWaalsContact O-N 3.15Å; H596-L685 PolarHBondContact NE2-O 2.94Å; H596-Y686 AromaticContact CD2-CE1 3.39Å; H596-Y686 WeakPolarHBondContact CD2-CE1 3.41Å; H596-Y686 AromaticContact CD2-CZ 3.3Å; H596-Y686 PolarHBondContact CD2-OH 3.22Å; H596-Y686 VanDerWaalsContact CD2-OH 3.24Å; H596-Y686 AromaticContact NE2-CE1 3.62Å; H596-Y686 AromaticContact NE2-CZ 3.89Å
597	I	97.7	Very high	95.3	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-58.2	-47.6	177.5	-65.8	162.1	0	0	0	109.6	V593 H599 V600 I601 F638 G641 L682 L685	V593-I597 HydrophobicContact CG1-CD1 3.77Å; V593-I597 WeakPolarHBondContact O-CB 3.25Å; V593-I597 WeakPolarHBondContact O-CD1 3.5Å; V593-I597 VanDerWaalsContact O-CG1 3.22Å; V593-I597 WeakPolarHBondContact O-CG1 3.03Å; V593-I597 PolarHBondContact O-N 3.41Å; I597-H599 VanDerWaalsContact C-N 3.33Å; I597-H599 PolarHBondContact O-N 3.38Å; I597-V600 PolarHBondContact O-N 3.42Å; I597-I601 HydrophobicContact CG2-CD1 4.2Å; I597-I601 HydrophobicContact CG2-CG2 4.27Å; I597-I601 VanDerWaalsContact O-CG1 3.28Å; I597-I601 WeakPolarHBondContact O-CG1 3.26Å; I597-I601 WeakPolarHBondContact O-CG2 3.49Å; I597-I601 PolarHBondContact O-N 3.38Å; I597-F638 HydrophobicContact CB-CD1 4.07Å; I597-F638 HydrophobicContact CB-CE1 4.37Å; I597-F638 HydrophobicContact CG2-CD1 3.79Å; I597-F638 HydrophobicContact CG2-CE1 4.27Å; I597-G641 VanDerWaalsContact CD1-C 3.44Å; I597-L682 HydrophobicContact CG2-CD2 4.42Å; I597-L685 HydrophobicContact CB-CD2 4.46Å; I597-L685 HydrophobicContact CG1-CD1 4.19Å; I597-L685 HydrophobicContact CG1-CD2 4.29Å; I597-L685 HydrophobicContact CG2-CD2 4.39Å
598	G	97	Very high	95.1	Very high	0 Å²	0	47 Å²	47	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-56.6	-43.9	179.5	0	0	0	0	0	112.7	L594 E595 H596 I601 S602	L594-G598 PolarHBondContact O-N 2.78Å; E595-G598 PolarHBondContact O-N 3.19Å; H596-G598 VanDerWaalsContact C-N 3.29Å; H596-G598 PolarHBondContact O-N 2.87Å; G598-I601 WeakPolarHBondContact O-CG1 3.11Å; G598-S602 VanDerWaalsContact O-CB 3.22Å; G598-S602 WeakPolarHBondContact O-CB 3.4Å; G598-S602 PolarHBondContact O-N 3.08Å; G598-S602 PolarHBondContact O-OG 3.14Å
599	H	96.2	Very high	95	Very high	93 Å²	93	49 Å²	49	43%	0.431	27%	0.268	S	S	.	.	H	α-helix	trans	-62.9	-49.9	177.8	-77.3	-59.3	0	0	0	112	E595 H596 I597 I601 S602 L625	E595-H599 PolarHBondContact O-CD2 3.45Å; E595-H599 PolarHBondContact O-N 2.95Å; H596-H599 PolarHBondContact O-N 3Å; I597-H599 VanDerWaalsContact C-N 3.33Å; I597-H599 PolarHBondContact O-N 3.38Å; H599-I601 PolarHBondContact O-N 3.33Å; H599-S602 PolarHBondContact O-N 3.15Å; H599-L625 HydrophobicContact CB-CD2 4.44Å; H599-L625 WeakPolarHBondContact ND1-CD2 3.38Å
600	V	95.7	Very high	94.9	Very high	35 Å²	35	49 Å²	49	21%	0.212	27%	0.267	C	S	.	.	H	α-helix	trans	-64.1	-41.6	-176.8	176.9	0	0	0	0	112.2	H596 I597 S602 P681 L685	H596-V600 WeakPolarHBondContact O-CG2 3.3Å; H596-V600 PolarHBondContact O-N 3.1Å; H596-V600 VanDerWaalsContact O-N 3.15Å; I597-V600 PolarHBondContact O-N 3.42Å; V600-S602 PolarHBondContact O-N 2.93Å; V600-P681 HydrophobicContact CG1-CB 4.48Å; V600-L685 HydrophobicContact CB-CD2 3.81Å; V600-L685 HydrophobicContact CG1-CD2 3.87Å; V600-L685 HydrophobicContact CG2-CD2 4.24Å
601	I	95.6	Very high	94.8	Very high	3 Å²	3	48.3 Å²	48.3	2%	0.015	26%	0.264	C	S	.	.	H	α-helix	trans	-78.7	-6.1	-178.2	70	-176.8	0	0	0	114.2	I597 G598 H599 L618 R621 L634 L637 P681 L682	I597-I601 HydrophobicContact CG2-CD1 4.2Å; I597-I601 HydrophobicContact CG2-CG2 4.27Å; I597-I601 VanDerWaalsContact O-CG1 3.28Å; I597-I601 WeakPolarHBondContact O-CG1 3.26Å; I597-I601 WeakPolarHBondContact O-CG2 3.49Å; I597-I601 PolarHBondContact O-N 3.38Å; G598-I601 WeakPolarHBondContact O-CG1 3.11Å; H599-I601 PolarHBondContact O-N 3.33Å; I601-L618 VanDerWaalsContact O-CD2 3.3Å; I601-L618 WeakPolarHBondContact O-CD2 3.35Å; I601-R621 PolarHBondContact O-NH1 3.25Å; I601-R621 VanDerWaalsContact O-NH1 3.1Å; I601-L634 HydrophobicContact CD1-CD2 3.7Å; I601-L637 HydrophobicContact CD1-CB 3.81Å; I601-L637 HydrophobicContact CD1-CD1 3.77Å; I601-L637 HydrophobicContact CD1-CG 4.43Å; I601-P681 HydrophobicContact CG2-CB 4.27Å; I601-L682 HydrophobicContact CG2-CD2 3.86Å; I601-L682 HydrophobicContact CG2-CG 4.39Å
602	S	95.2	Very high	94.6	Very high	7 Å²	7	51 Å²	51	5%	0.049	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.1	-4.3	-178.5	-59.1	0	0	0	0	113.1	G598 H599 V600 L618 R621	G598-S602 VanDerWaalsContact O-CB 3.22Å; G598-S602 WeakPolarHBondContact O-CB 3.4Å; G598-S602 PolarHBondContact O-N 3.08Å; G598-S602 PolarHBondContact O-OG 3.14Å; H599-S602 PolarHBondContact O-N 3.15Å; V600-S602 PolarHBondContact O-N 2.93Å; S602-L618 WeakPolarHBondContact O-CB 3.25Å; S602-R621 WeakPolarHBondContact OG-CB 3.39Å
603	E	91	Very high	94.3	Very high	92 Å²	92	48.5 Å²	48.5	43%	0.43	28%	0.276	S	S	.	.	S	Bend	trans	-123.3	134.4	-178.2	-62.8	-169.9	166.7	0	0	110.5	K622	E603-K622 IonicContact OE1-NZ 2.73Å; E603-K622 PolarHBondContact OE1-NZ 3.45Å
604	P	88.4	Confident	94.1	Very high	57 Å²	57	49.3 Å²	49.3	37%	0.37	28%	0.28	S	S	.	.	P	Polyproline II helix	trans	-69.2	151.5	172.3	30.4	-33.4	0	0	0	110.3	I610 L618	P604-I610 HydrophobicContact CB-CD1 3.83Å; P604-I610 HydrophobicContact CB-CG1 4.2Å; P604-I610 HydrophobicContact CB-CG2 3.85Å; P604-I610 HydrophobicContact CG-CD1 3.86Å; P604-I610 HydrophobicContact CG-CG1 4.4Å; P604-L618 HydrophobicContact CB-CD1 4.5Å
605	P	89.7	Confident	93.8	Very high	31 Å²	31	55.2 Å²	55.2	20%	0.201	31%	0.306	C	S	.	.	P	Polyproline II helix	trans	-65.6	152.3	173.6	31.6	-37.6	0	0	0	110.8	G607 M608 Y679	P605-G607 PolarHBondContact O-N 2.85Å; P605-M608 HydrophobicContact CG-CB 3.69Å; P605-M608 HydrophobicContact CG-CG 4.23Å; P605-M608 HydrophobicContact CG-SD 3.41Å; P605-M608 WeakPolarHBondContact CG-SD 3.37Å; P605-M608 PolarHBondContact O-N 2.69Å; P605-Y679 HydrophobicContact CB-CD1 4.07Å; P605-Y679 HydrophobicContact CB-CD2 4Å; P605-Y679 HydrophobicContact CB-CE1 3.97Å; P605-Y679 HydrophobicContact CB-CE2 3.92Å; P605-Y679 HydrophobicContact CB-CG 4.07Å; P605-Y679 HydrophobicContact CG-CD1 3.59Å; P605-Y679 HydrophobicContact CG-CD2 3.92Å; P605-Y679 HydrophobicContact CG-CE1 3.99Å; P605-Y679 HydrophobicContact CG-CE2 4.31Å; P605-Y679 HydrophobicContact CG-CG 3.53Å
606	E	89.6	Confident	93.6	Very high	201 Å²	201	61.7 Å²	61.7	94%	0.939	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	134.5	178.8	-168	178	178.6	0	0	111.4	M608	E606-M608 VanDerWaalsContact C-N 3.31Å; E606-M608 PolarHBondContact O-N 3Å
607	G	90.7	Very high	93.3	Very high	65 Å²	65	59.7 Å²	59.7	67%	0.67	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.6	12.2	177.5	0	0	0	0	0	115.8	P605 K677	P605-G607 PolarHBondContact O-N 2.85Å; G607-K677 PolarHBondContact O-NZ 3.09Å; G607-K677 VanDerWaalsContact O-NZ 3.13Å
608	M	94	Very high	93.2	Very high	18 Å²	18	60 Å²	60	9%	0.089	32%	0.324	C	S	.	.			trans	-100.3	126.5	173.3	-172.1	175.8	-164.6	0	0	111.7	P605 E606 I610 L669 D671	P605-M608 HydrophobicContact CG-CB 3.69Å; P605-M608 HydrophobicContact CG-CG 4.23Å; P605-M608 HydrophobicContact CG-SD 3.41Å; P605-M608 WeakPolarHBondContact CG-SD 3.37Å; P605-M608 PolarHBondContact O-N 2.69Å; E606-M608 VanDerWaalsContact C-N 3.31Å; E606-M608 PolarHBondContact O-N 3Å; M608-I610 HydrophobicContact CG-CG2 4.23Å; M608-I610 PolarHBondContact O-N 2.91Å; M608-I610 HydrophobicContact SD-CG2 4.45Å; M608-L669 HydrophobicContact CE-CB 3.86Å; M608-L669 WeakPolarHBondContact CE-O 3.47Å; M608-L669 HydrophobicContact SD-CB 4.15Å; M608-D671 WeakPolarHBondContact CA-OD2 3.25Å; M608-D671 HydrophobicContact CE-CB 4.08Å; M608-D671 HydrophobicContact CG-CB 4.1Å
609	V	95.3	Very high	93.1	Very high	55 Å²	55	66.2 Å²	66.2	33%	0.333	35%	0.351	S	S	.	.			trans	-84.8	106.6	176.2	-175.6	0	0	0	0	108.8	D671 Q672 E673	V609-D671 PolarHBondContact N-OD2 3.35Å; V609-D671 WeakPolarHBondContact O-CA 3.46Å; V609-Q672 HydrophobicContact CG1-CB 4.16Å; V609-Q672 WeakPolarHBondContact O-CG 3.38Å; V609-Q672 PolarHBondContact O-N 3.15Å; V609-E673 HydrophobicContact CB-CG 4.16Å; V609-E673 HydrophobicContact CG1-CG 4.19Å; V609-E673 HydrophobicContact CG2-CG 4.15Å
610	I	94.3	Very high	93	Very high	9 Å²	9	65.7 Å²	65.7	5%	0.046	35%	0.349	C	S	.	.			trans	-95.8	148.3	179	57.4	160.6	0	0	0	112.9	P604 M608 L614 K615 L618	P604-I610 HydrophobicContact CB-CD1 3.83Å; P604-I610 HydrophobicContact CB-CG1 4.2Å; P604-I610 HydrophobicContact CB-CG2 3.85Å; P604-I610 HydrophobicContact CG-CD1 3.86Å; P604-I610 HydrophobicContact CG-CG1 4.4Å; M608-I610 HydrophobicContact CG-CG2 4.23Å; M608-I610 PolarHBondContact O-N 2.91Å; M608-I610 HydrophobicContact SD-CG2 4.45Å; I610-L614 HydrophobicContact CB-CD2 4.5Å; I610-K615 HydrophobicContact CD1-CB 4.41Å; I610-K615 HydrophobicContact CD1-CD 4.48Å; I610-K615 HydrophobicContact CD1-CG 3.44Å; I610-K615 VanDerWaalsContact CD1-CG 3.44Å; I610-K615 HydrophobicContact CG1-CD 4.47Å; I610-K615 HydrophobicContact CG1-CG 3.82Å; I610-L618 HydrophobicContact CD1-CD1 3.64Å
611	H	95.3	Very high	92.9	Very high	97 Å²	97	64.5 Å²	64.5	45%	0.449	34%	0.341	S	S	.	.			trans	-56.7	137.5	178.7	-172.7	-97.9	0	0	0	111.9	G613 L614 K615 Q672	H611-G613 PolarHBondContact ND1-N 3.16Å; H611-G613 VanDerWaalsContact ND1-N 3.1Å; H611-G613 PolarHBondContact O-N 3.39Å; H611-G613 VanDerWaalsContact O-N 3.16Å; H611-L614 HydrophobicContact CB-CB 4.35Å; H611-L614 WeakPolarHBondContact O-CB 3.49Å; H611-L614 PolarHBondContact O-N 3.38Å; H611-K615 PolarHBondContact O-N 3.38Å; H611-Q672 HydrophobicContact CB-CG 4.17Å; H611-Q672 PolarHBondContact CD2-OE1 2.9Å
612	P	92.7	Very high	92.9	Very high	88 Å²	88	67.8 Å²	67.8	57%	0.571	36%	0.355	S	S	*	.	H	α-helix	trans	-56.4	-34.1	-178.7	-27.6	35.1	0	0	0	114.6	L614 K615	P612-L614 VanDerWaalsContact C-N 3.32Å; P612-L614 PolarHBondContact O-N 3.49Å; P612-K615 WeakPolarHBondContact O-CB 3.38Å; P612-K615 PolarHBondContact O-N 3.06Å
613	G	91.5	Very high	93	Very high	37 Å²	37	70.2 Å²	70.2	38%	0.381	37%	0.367	S	S	.	.	H	α-helix	trans	-65.2	-34	174.7	0	0	0	0	0	113.2	H611 R616	H611-G613 PolarHBondContact ND1-N 3.16Å; H611-G613 VanDerWaalsContact ND1-N 3.1Å; H611-G613 PolarHBondContact O-N 3.39Å; H611-G613 VanDerWaalsContact O-N 3.16Å; G613-R616 WeakPolarHBondContact O-CB 3.29Å; G613-R616 PolarHBondContact O-N 2.98Å
614	L	93.2	Very high	93.2	Very high	18 Å²	18	66 Å²	66	9%	0.094	35%	0.348	C	S	.	.	H	α-helix	trans	-73.9	-33	179.4	-175.7	54.9	0	0	0	111.9	I610 H611 P612 R616 A617 L618 H666 L669	I610-L614 HydrophobicContact CB-CD2 4.5Å; H611-L614 HydrophobicContact CB-CB 4.35Å; H611-L614 WeakPolarHBondContact O-CB 3.49Å; H611-L614 PolarHBondContact O-N 3.38Å; P612-L614 VanDerWaalsContact C-N 3.32Å; P612-L614 PolarHBondContact O-N 3.49Å; L614-R616 PolarHBondContact O-N 3.41Å; L614-R616 VanDerWaalsContact O-N 3.17Å; L614-A617 HydrophobicContact CD1-CB 4.36Å; L614-A617 PolarHBondContact O-N 3.31Å; L614-A617 VanDerWaalsContact O-N 3.08Å; L614-L618 HydrophobicContact CD1-CG 4.36Å; L614-L618 HydrophobicContact CG-CD1 4.37Å; L614-L618 HydrophobicContact CG-CG 4.32Å; L614-L618 WeakPolarHBondContact O-CG 3.35Å; L614-L618 PolarHBondContact O-N 3.36Å; L614-H666 HydrophobicContact CD1-CB 3.86Å; L614-L669 HydrophobicContact CD2-CD2 3.82Å
615	K	92.6	Very high	93.6	Very high	124 Å²	124	63.7 Å²	63.7	54%	0.539	33%	0.332	S	S	.	.	H	α-helix	trans	-53.4	-35.8	171.5	-66.9	-178.5	-179.9	-176.5	0	112	I610 H611 P612 K619	I610-K615 HydrophobicContact CD1-CB 4.41Å; I610-K615 HydrophobicContact CD1-CD 4.48Å; I610-K615 HydrophobicContact CD1-CG 3.44Å; I610-K615 VanDerWaalsContact CD1-CG 3.44Å; I610-K615 HydrophobicContact CG1-CD 4.47Å; I610-K615 HydrophobicContact CG1-CG 3.82Å; H611-K615 PolarHBondContact O-N 3.38Å; P612-K615 WeakPolarHBondContact O-CB 3.38Å; P612-K615 PolarHBondContact O-N 3.06Å; K615-K619 VanDerWaalsContact O-CB 3.3Å; K615-K619 WeakPolarHBondContact O-CB 3.25Å; K615-K619 PolarHBondContact O-N 2.92Å
616	R	91.9	Very high	93.8	Very high	199 Å²	199	68.8 Å²	68.8	75%	0.751	35%	0.353	S	S	*	.	H	α-helix	trans	-69.2	-44.5	177.2	-61.2	-179.3	-178.7	173.1	-0.1	112	G613 L614 K619 E620	G613-R616 WeakPolarHBondContact O-CB 3.29Å; G613-R616 PolarHBondContact O-N 2.98Å; L614-R616 PolarHBondContact O-N 3.41Å; L614-R616 VanDerWaalsContact O-N 3.17Å; R616-K619 PolarHBondContact O-N 3.49Å; R616-E620 PolarHBondContact O-N 2.87Å
617	A	92.4	Very high	94.2	Very high	24 Å²	24	64.8 Å²	64.8	20%	0.198	34%	0.335	C	S	.	.	H	α-helix	trans	-65.5	-40.9	178.1	0	0	0	0	0	112.1	L614 E620 R621	L614-A617 HydrophobicContact CD1-CB 4.36Å; L614-A617 PolarHBondContact O-N 3.31Å; L614-A617 VanDerWaalsContact O-N 3.08Å; A617-E620 PolarHBondContact O-N 3Å; A617-R621 WeakPolarHBondContact O-CG 3.39Å; A617-R621 PolarHBondContact O-N 3Å; A617-R621 VanDerWaalsContact O-N 3.11Å
618	L	94.5	Very high	94.5	Very high	6 Å²	6	66.6 Å²	66.6	3%	0.031	32%	0.324	C	S	.	.	H	α-helix	trans	-64.4	-41.7	174.5	-68.6	-176.4	0	0	0	111.9	I601 S602 P604 I610 L614 R621 K622	I601-L618 VanDerWaalsContact O-CD2 3.3Å; I601-L618 WeakPolarHBondContact O-CD2 3.35Å; S602-L618 WeakPolarHBondContact O-CB 3.25Å; P604-L618 HydrophobicContact CB-CD1 4.5Å; I610-L618 HydrophobicContact CD1-CD1 3.64Å; L614-L618 HydrophobicContact CD1-CG 4.36Å; L614-L618 HydrophobicContact CG-CD1 4.37Å; L614-L618 HydrophobicContact CG-CG 4.32Å; L614-L618 WeakPolarHBondContact O-CG 3.35Å; L614-L618 PolarHBondContact O-N 3.36Å; L618-R621 WeakPolarHBondContact O-CB 3.47Å; L618-R621 PolarHBondContact O-N 3.03Å; L618-K622 PolarHBondContact O-N 3.48Å; L618-K622 VanDerWaalsContact O-N 3.12Å
619	K	94.6	Very high	94.6	Very high	132 Å²	132	67.3 Å²	67.3	57%	0.574	33%	0.329	S	S	*	.	H	α-helix	trans	-61.4	-45.1	173.1	-171.4	-168.9	173.9	-161	0	111.9	K615 R616 R621 K622 D623	K615-K619 VanDerWaalsContact O-CB 3.3Å; K615-K619 WeakPolarHBondContact O-CB 3.25Å; K615-K619 PolarHBondContact O-N 2.92Å; R616-K619 PolarHBondContact O-N 3.49Å; K619-R621 VanDerWaalsContact C-N 3.27Å; K619-R621 PolarHBondContact O-N 2.75Å; K619-K622 WeakPolarHBondContact O-CA 3.4Å; K619-K622 WeakPolarHBondContact O-CB 3.2Å; K619-K622 PolarHBondContact O-N 3.2Å; K619-D623 VanDerWaalsContact O-CG 3.31Å; K619-D623 PolarHBondContact O-N 3Å
620	E	94	Very high	94.7	Very high	82 Å²	82	64.7 Å²	64.7	38%	0.383	31%	0.313	S	S	.	.	H	α-helix	trans	-57.7	-40.8	177.3	-177.5	-176.4	173.8	0	0	111.7	R616 A617 K622 D623 L624	R616-E620 PolarHBondContact O-N 2.87Å; A617-E620 PolarHBondContact O-N 3Å; E620-K622 VanDerWaalsContact C-N 3.34Å; E620-K622 PolarHBondContact O-N 3.38Å; E620-D623 PolarHBondContact O-N 2.66Å; E620-L624 HydrophobicContact CG-CD1 4.17Å; E620-L624 WeakPolarHBondContact O-CB 3.36Å; E620-L624 VanDerWaalsContact O-CG 3.29Å; E620-L624 WeakPolarHBondContact O-CG 3.48Å; E620-L624 PolarHBondContact O-N 3.37Å
621	R	95	Very high	94.8	Very high	10 Å²	10	65.1 Å²	65.1	4%	0.038	32%	0.316	C	S	.	.	H	α-helix	trans	-60.4	-43.8	174	-68.6	174.1	-177.5	174.2	-1.6	112	I601 S602 A617 L618 K619 L624 L625 L634 H664 R665	I601-R621 PolarHBondContact O-NH1 3.25Å; I601-R621 VanDerWaalsContact O-NH1 3.1Å; S602-R621 WeakPolarHBondContact OG-CB 3.39Å; A617-R621 WeakPolarHBondContact O-CG 3.39Å; A617-R621 PolarHBondContact O-N 3Å; A617-R621 VanDerWaalsContact O-N 3.11Å; L618-R621 WeakPolarHBondContact O-CB 3.47Å; L618-R621 PolarHBondContact O-N 3.03Å; K619-R621 VanDerWaalsContact C-N 3.27Å; K619-R621 PolarHBondContact O-N 2.75Å; R621-L624 PolarHBondContact O-N 3.26Å; R621-L625 WeakPolarHBondContact O-CB 3.49Å; R621-L625 PolarHBondContact O-N 3.45Å; R621-L634 HydrophobicContact CB-CD2 4.12Å; R621-L634 HydrophobicContact CG-CD2 3.96Å; R621-L634 HydrophobicContact CG-CG 4.37Å; R621-H664 PolarHBondContact NH2-O 2.87Å; R621-R665 PolarHBondContact NH2-O 2.88Å
622	K	95.7	Very high	95	Very high	71 Å²	71	60.6 Å²	60.6	31%	0.309	30%	0.295	S	S	.	.	H	α-helix	trans	-62.4	-44.9	176.1	-169.1	167	-175	157.7	0	111.9	E603 L618 K619 E620 L624 L625 E626	E603-K622 IonicContact OE1-NZ 2.73Å; E603-K622 PolarHBondContact OE1-NZ 3.45Å; L618-K622 PolarHBondContact O-N 3.48Å; L618-K622 VanDerWaalsContact O-N 3.12Å; K619-K622 WeakPolarHBondContact O-CA 3.4Å; K619-K622 WeakPolarHBondContact O-CB 3.2Å; K619-K622 PolarHBondContact O-N 3.2Å; E620-K622 VanDerWaalsContact C-N 3.34Å; E620-K622 PolarHBondContact O-N 3.38Å; K622-L624 VanDerWaalsContact C-N 3.34Å; K622-L624 PolarHBondContact O-N 2.94Å; K622-L625 WeakPolarHBondContact O-CB 3.02Å; K622-L625 PolarHBondContact O-N 3.39Å; K622-E626 WeakPolarHBondContact O-CG 3.33Å; K622-E626 PolarHBondContact O-N 3.25Å
623	D	96.6	Very high	95.1	Very high	58 Å²	58	56.6 Å²	56.6	31%	0.31	27%	0.269	S	S	.	.	H	α-helix	trans	-62.8	-40.7	178.2	-63.8	-14.4	0	0	0	111.1	K619 E620 Q627	K619-D623 VanDerWaalsContact O-CG 3.31Å; K619-D623 PolarHBondContact O-N 3Å; E620-D623 PolarHBondContact O-N 2.66Å; D623-Q627 VanDerWaalsContact O-CG 3.24Å; D623-Q627 WeakPolarHBondContact O-CG 3.19Å; D623-Q627 PolarHBondContact O-N 3.04Å; D623-Q627 VanDerWaalsContact O-N 3.14Å
624	L	96.1	Very high	95.4	Very high	4 Å²	4	54.9 Å²	54.9	2%	0.021	25%	0.251	C	S	.	.	H	α-helix	trans	-67.8	-38.5	176.4	-74	174	0	0	0	112.6	E620 R621 K622 Q627 K628 T629 N631 L634	E620-L624 HydrophobicContact CG-CD1 4.17Å; E620-L624 WeakPolarHBondContact O-CB 3.36Å; E620-L624 VanDerWaalsContact O-CG 3.29Å; E620-L624 WeakPolarHBondContact O-CG 3.48Å; E620-L624 PolarHBondContact O-N 3.37Å; R621-L624 PolarHBondContact O-N 3.26Å; K622-L624 VanDerWaalsContact C-N 3.34Å; K622-L624 PolarHBondContact O-N 2.94Å; L624-Q627 CarbonylContact O-C 3.37Å; L624-Q627 PolarHBondContact O-N 2.65Å; L624-K628 PolarHBondContact O-N 3.1Å; L624-K628 VanDerWaalsContact O-N 3.12Å; L624-T629 CarbonylContact C-O 3.54Å; L624-T629 WeakPolarHBondContact CB-O 3.42Å; L624-T629 WeakPolarHBondContact CD2-OG1 3.37Å; L624-T629 PolarHBondContact O-N 3.04Å; L624-T629 PolarHBondContact O-OG1 3.25Å; L624-N631 HydrophobicContact CD1-CB 3.93Å; L624-L634 HydrophobicContact CB-CD1 3.67Å; L624-L634 HydrophobicContact CD1-CD1 3.88Å; L624-L634 HydrophobicContact CG-CD1 4.45Å
625	L	95.6	Very high	95.6	Very high	9 Å²	9	54 Å²	54	5%	0.047	25%	0.247	C	C	.	.	H	α-helix	trans	-60	-47.2	174.3	-176.3	65.6	0	0	0	111.4	H599 R621 K622 Q627 K628 F850	H599-L625 HydrophobicContact CB-CD2 4.44Å; H599-L625 WeakPolarHBondContact ND1-CD2 3.38Å; R621-L625 WeakPolarHBondContact O-CB 3.49Å; R621-L625 PolarHBondContact O-N 3.45Å; K622-L625 WeakPolarHBondContact O-CB 3.02Å; K622-L625 PolarHBondContact O-N 3.39Å; L625-Q627 VanDerWaalsContact C-N 3.25Å; L625-Q627 PolarHBondContact O-N 3.32Å; L625-K628 PolarHBondContact O-N 2.91Å; L625-F850 HydrophobicContact CD1-CE2 3.98Å; L625-F850 HydrophobicContact CD1-CZ 3.67Å
626	E	95.4	Very high	95.9	Very high	138 Å²	138	48.2 Å²	48.2	65%	0.645	22%	0.222	S	C	*	.	H	α-helix	trans	-61.3	-35.2	175.5	-71.3	175.3	-171.7	0	0	112	K622 K628	K622-E626 WeakPolarHBondContact O-CG 3.33Å; K622-E626 PolarHBondContact O-N 3.25Å; E626-K628 PolarHBondContact O-N 2.98Å
627	Q	96.1	Very high	96.2	Very high	117 Å²	117	38.9 Å²	38.9	55%	0.547	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-5.1	175.2	-68.9	166.5	22.5	0	0	113.6	D623 L624 L625 T629	D623-Q627 VanDerWaalsContact O-CG 3.24Å; D623-Q627 WeakPolarHBondContact O-CG 3.19Å; D623-Q627 PolarHBondContact O-N 3.04Å; D623-Q627 VanDerWaalsContact O-N 3.14Å; L624-Q627 CarbonylContact O-C 3.37Å; L624-Q627 PolarHBondContact O-N 2.65Å; L625-Q627 VanDerWaalsContact C-N 3.25Å; L625-Q627 PolarHBondContact O-N 3.32Å; Q627-T629 HydrophobicContact CB-CG2 4.43Å; Q627-T629 PolarHBondContact O-N 2.74Å
628	K	97.1	Very high	96.5	Very high	103 Å²	103	37.8 Å²	37.8	45%	0.448	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	52	41.2	-171.5	-59.7	-163.6	170.1	-142.2	0	112.8	E595 L624 L625 E626 F850	E595-K628 WeakPolarHBondContact OE1-CE 3.38Å; E595-K628 IonicContact OE1-NZ 2.89Å; E595-K628 PolarHBondContact OE1-NZ 3.44Å; L624-K628 PolarHBondContact O-N 3.1Å; L624-K628 VanDerWaalsContact O-N 3.12Å; L625-K628 PolarHBondContact O-N 2.91Å; E626-K628 PolarHBondContact O-N 2.98Å; K628-F850 HydrophobicContact CB-CB 4.36Å; K628-F850 HydrophobicContact CB-CD1 4.49Å; K628-F850 HydrophobicContact CB-CD2 4.41Å; K628-F850 HydrophobicContact CB-CG 4.17Å; K628-F850 VanDerWaalsContact O-CD1 3.3Å; K628-F850 WeakPolarHBondContact O-CD1 3.37Å; K628-F850 PolarHBondContact O-N 3.27Å
629	T	97.3	Very high	96.7	Very high	32 Å²	32	37.5 Å²	37.5	20%	0.196	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	149.8	176.6	59.8	0	0	0	0	110.5	L624 Q627 S848	L624-T629 CarbonylContact C-O 3.54Å; L624-T629 WeakPolarHBondContact CB-O 3.42Å; L624-T629 WeakPolarHBondContact CD2-OG1 3.37Å; L624-T629 PolarHBondContact O-N 3.04Å; L624-T629 PolarHBondContact O-OG1 3.25Å; Q627-T629 HydrophobicContact CB-CG2 4.43Å; Q627-T629 PolarHBondContact O-N 2.74Å; T629-S848 CarbonylContact C-O 3.58Å; T629-S848 WeakPolarHBondContact CA-O 3.35Å
630	A	97.3	Very high	96.9	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	131.7	177.2	0	0	0	0	0	110	L634 F638 R847 S848 F850 M853	A630-L634 HydrophobicContact CB-CB 3.87Å; A630-F638 HydrophobicContact CB-CD2 4.35Å; A630-F638 HydrophobicContact CB-CE2 3.94Å; A630-R847 CarbonylContact O-C 3.57Å; A630-R847 VanDerWaalsContact O-CA 3.27Å; A630-R847 WeakPolarHBondContact O-CA 3.18Å; A630-S848 PolarHBondContact N-O 3.12Å; A630-S848 PolarHBondContact O-N 2.83Å; A630-F850 HydrophobicContact CB-CE1 4.41Å; A630-M853 HydrophobicContact CB-CE 3.75Å
631	N	97.2	Very high	97.1	Very high	18 Å²	18	27.3 Å²	27.3	10%	0.096	13%	0.13	C	C	.	.			trans	-82.4	-179	159.5	69.4	5.4	0	0	0	109.7	L624 A633 L634 G635 P813	L624-N631 HydrophobicContact CD1-CB 3.93Å; N631-A633 VanDerWaalsContact C-N 3.35Å; N631-A633 PolarHBondContact O-N 3.02Å; N631-A633 PolarHBondContact OD1-N 2.88Å; N631-L634 PolarHBondContact O-N 3.4Å; N631-L634 PolarHBondContact OD1-N 2.77Å; N631-G635 PolarHBondContact O-N 3.39Å; N631-P813 VanDerWaalsContact C-CG 3.45Å; N631-P813 WeakPolarHBondContact O-CB 2.99Å
632	W	97.8	Very high	97.2	Very high	3 Å²	3	26.9 Å²	26.9	1%	0.011	13%	0.129	C	C	.	.	H	α-helix	trans	-58.1	-43.6	-176.3	-157.5	-79.7	0	0	0	113.7	G635 E636 C810 P813 F816 P837 L841	W632-G635 PolarHBondContact O-N 2.8Å; W632-E636 PolarHBondContact O-N 2.84Å; W632-C810 HydrophobicContact CH2-CB 3.8Å; W632-C810 WeakPolarHBondContact CH2-O 3.48Å; W632-C810 HydrophobicContact CZ2-CB 4.36Å; W632-P813 HydrophobicContact CE3-CG 4.36Å; W632-F816 AromaticContact CD1-CD1 3.92Å; W632-F816 AromaticContact CE2-CD1 3.77Å; W632-F816 AromaticContact CE2-CG 3.87Å; W632-F816 HydrophobicContact CH2-CB 4.32Å; W632-F816 HydrophobicContact CZ2-CB 3.77Å; W632-F816 HydrophobicContact CZ2-CD1 4.14Å; W632-F816 HydrophobicContact CZ2-CD2 4.13Å; W632-F816 AromaticContact CZ2-CG 3.76Å; W632-F816 HydrophobicContact CZ2-CG 3.76Å; W632-F816 AromaticContact NE1-CD1 3.23Å; W632-F816 AromaticContact NE1-CE1 3.46Å; W632-F816 AromaticContact NE1-CG 3.78Å; W632-P837 HydrophobicContact CD2-CG 3.42Å; W632-P837 VanDerWaalsContact CD2-CG 3.42Å; W632-P837 HydrophobicContact CE3-CG 3.67Å; W632-P837 HydrophobicContact CG-CG 3.99Å; W632-P837 HydrophobicContact CH2-CG 3.82Å; W632-P837 HydrophobicContact CZ2-CG 3.63Å; W632-P837 HydrophobicContact CZ3-CG 3.85Å; W632-L841 HydrophobicContact CB-CD2 3.81Å; W632-L841 HydrophobicContact CG-CD2 3.74Å
633	A	96.4	Very high	97.3	Very high	4 Å²	4	23.5 Å²	23.5	3%	0.033	11%	0.114	C	C	.	.	H	α-helix	trans	-65.5	-39.7	179.9	0	0	0	0	0	111.7	N631 E636 L637 H664	N631-A633 VanDerWaalsContact C-N 3.35Å; N631-A633 PolarHBondContact O-N 3.02Å; N631-A633 PolarHBondContact OD1-N 2.88Å; A633-E636 PolarHBondContact O-N 2.87Å; A633-L637 WeakPolarHBondContact O-CB 3.4Å; A633-L637 WeakPolarHBondContact O-CG 3.29Å; A633-L637 PolarHBondContact O-N 3.18Å; A633-H664 WeakPolarHBondContact CB-O 3.4Å
634	L	97.2	Very high	97.4	Very high	1 Å²	1	20.7 Å²	20.7	1%	0.005	10%	0.099	C	C	.	.	H	α-helix	trans	-65.4	-44	174	-75.9	178.1	0	0	0	111.7	I601 R621 L624 A630 N631 E636 L637 F638	I601-L634 HydrophobicContact CD1-CD2 3.7Å; R621-L634 HydrophobicContact CB-CD2 4.12Å; R621-L634 HydrophobicContact CG-CD2 3.96Å; R621-L634 HydrophobicContact CG-CG 4.37Å; L624-L634 HydrophobicContact CB-CD1 3.67Å; L624-L634 HydrophobicContact CD1-CD1 3.88Å; L624-L634 HydrophobicContact CG-CD1 4.45Å; A630-L634 HydrophobicContact CB-CB 3.87Å; N631-L634 PolarHBondContact O-N 3.4Å; N631-L634 PolarHBondContact OD1-N 2.77Å; L634-E636 VanDerWaalsContact C-N 3.32Å; L634-E636 PolarHBondContact O-N 2.87Å; L634-L637 PolarHBondContact O-N 3.02Å; L634-F638 HydrophobicContact CB-CD2 4.43Å; L634-F638 HydrophobicContact CB-CE2 4Å; L634-F638 HydrophobicContact CB-CZ 4.19Å; L634-F638 HydrophobicContact CD2-CE1 4.36Å; L634-F638 HydrophobicContact CD2-CZ 4.17Å; L634-F638 VanDerWaalsContact O-CB 3.3Å; L634-F638 WeakPolarHBondContact O-CB 3.26Å; L634-F638 VanDerWaalsContact O-CD2 3.23Å; L634-F638 WeakPolarHBondContact O-CD2 3.23Å; L634-F638 WeakPolarHBondContact O-CG 3.19Å; L634-F638 PolarHBondContact O-N 3.05Å
635	G	97.8	Very high	97.4	Very high	0 Å²	0	26 Å²	26	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-57.8	-42.6	175.8	0	0	0	0	0	112.9	N631 W632 A639	N631-G635 PolarHBondContact O-N 3.39Å; W632-G635 PolarHBondContact O-N 2.8Å; G635-A639 PolarHBondContact O-N 2.82Å; G635-A639 VanDerWaalsContact O-N 3.11Å
636	E	98.3	Very high	97.4	Very high	2 Å²	2	29.7 Å²	29.7	1%	0.009	14%	0.136	C	C	.	.	H	α-helix	trans	-61.5	-52.3	173.9	-176.1	-178.1	-120.5	0	0	112.2	W632 A633 L634 F638 A639 Y640 R665 F816	W632-E636 PolarHBondContact O-N 2.84Å; A633-E636 PolarHBondContact O-N 2.87Å; L634-E636 VanDerWaalsContact C-N 3.32Å; L634-E636 PolarHBondContact O-N 2.87Å; E636-F638 VanDerWaalsContact C-N 3.31Å; E636-F638 PolarHBondContact O-N 3.31Å; E636-A639 WeakPolarHBondContact O-CB 3.41Å; E636-A639 PolarHBondContact O-N 3.19Å; E636-A639 VanDerWaalsContact O-N 3.13Å; E636-Y640 HydrophobicContact CG-CD2 4.23Å; E636-Y640 HydrophobicContact CG-CE1 4.18Å; E636-Y640 HydrophobicContact CG-CE2 3.5Å; E636-Y640 VanDerWaalsContact CG-CZ 3.46Å; E636-Y640 WeakPolarHBondContact CG-OH 3.32Å; E636-Y640 PolarHBondContact O-N 3.26Å; E636-Y640 PolarHBondContact OE1-OH 3.12Å; E636-R665 VanDerWaalsContact CD-NE 3.32Å; E636-R665 IonicContact OE1-CZ 3.27Å; E636-R665 IonicContact OE1-NE 3.82Å; E636-R665 PolarHBondContact OE1-NE 2.77Å; E636-R665 IonicContact OE1-NH2 3.4Å; E636-R665 PolarHBondContact OE1-NH2 3.39Å; E636-R665 IonicContact OE2-CZ 2.97Å; E636-R665 IonicContact OE2-NE 2.7Å; E636-R665 PolarHBondContact OE2-NE 3.13Å; E636-R665 IonicContact OE2-NH2 2.87Å; E636-R665 PolarHBondContact OE2-NH2 2.97Å; E636-F816 HydrophobicContact CB-CD1 4.14Å; E636-F816 HydrophobicContact CB-CE1 3.77Å; E636-F816 HydrophobicContact CG-CE1 3.83Å
637	L	98	Very high	97.5	Very high	3 Å²	3	25.5 Å²	25.5	2%	0.016	13%	0.13	C	C	.	.	H	α-helix	trans	-67.7	-30.8	-177.5	-65.7	171.9	0	0	0	112.2	I601 A633 L634 Y640 G641 R665 L682	I601-L637 HydrophobicContact CD1-CB 3.81Å; I601-L637 HydrophobicContact CD1-CD1 3.77Å; I601-L637 HydrophobicContact CD1-CG 4.43Å; A633-L637 WeakPolarHBondContact O-CB 3.4Å; A633-L637 WeakPolarHBondContact O-CG 3.29Å; A633-L637 PolarHBondContact O-N 3.18Å; L634-L637 PolarHBondContact O-N 3.02Å; L637-Y640 HydrophobicContact CD2-CD2 4.43Å; L637-G641 PolarHBondContact O-N 3.02Å; L637-R665 HydrophobicContact CD2-CG 4.48Å; L637-L682 HydrophobicContact CD2-CD1 3.67Å; L637-L682 HydrophobicContact CD2-CG 4.37Å
638	F	98.5	Very high	97.5	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-66	-40.4	170.9	-68.2	-24.2	0	0	0	111.9	L594 I597 A630 L634 E636 S642 F817 F850 M853	L594-F638 HydrophobicContact CD2-CB 3.78Å; L594-F638 HydrophobicContact CD2-CD1 4.26Å; L594-F638 HydrophobicContact CD2-CD2 3.93Å; L594-F638 HydrophobicContact CD2-CG 3.75Å; L594-F638 VanDerWaalsContact O-CE1 3.3Å; L594-F638 WeakPolarHBondContact O-CE1 3.24Å; I597-F638 HydrophobicContact CB-CD1 4.07Å; I597-F638 HydrophobicContact CB-CE1 4.37Å; I597-F638 HydrophobicContact CG2-CD1 3.79Å; I597-F638 HydrophobicContact CG2-CE1 4.27Å; A630-F638 HydrophobicContact CB-CD2 4.35Å; A630-F638 HydrophobicContact CB-CE2 3.94Å; L634-F638 HydrophobicContact CB-CD2 4.43Å; L634-F638 HydrophobicContact CB-CE2 4Å; L634-F638 HydrophobicContact CB-CZ 4.19Å; L634-F638 HydrophobicContact CD2-CE1 4.36Å; L634-F638 HydrophobicContact CD2-CZ 4.17Å; L634-F638 VanDerWaalsContact O-CB 3.3Å; L634-F638 WeakPolarHBondContact O-CB 3.26Å; L634-F638 VanDerWaalsContact O-CD2 3.23Å; L634-F638 WeakPolarHBondContact O-CD2 3.23Å; L634-F638 WeakPolarHBondContact O-CG 3.19Å; L634-F638 PolarHBondContact O-N 3.05Å; E636-F638 VanDerWaalsContact C-N 3.31Å; E636-F638 PolarHBondContact O-N 3.31Å; F638-S642 VanDerWaalsContact O-CB 3.25Å; F638-S642 WeakPolarHBondContact O-CB 3.29Å; F638-S642 PolarHBondContact O-N 2.89Å; F638-S642 PolarHBondContact O-OG 2.77Å; F638-F817 HydrophobicContact CB-CD2 3.79Å; F638-F817 HydrophobicContact CB-CE2 3.87Å; F638-F850 AromaticContact CE2-CE1 3.65Å; F638-F850 HydrophobicContact CE2-CE1 3.65Å; F638-F850 AromaticContact CE2-CZ 3.73Å; F638-F850 HydrophobicContact CE2-CZ 3.73Å; F638-F850 HydrophobicContact CZ-CE1 4Å; F638-F850 AromaticContact CZ-CZ 3.63Å; F638-F850 HydrophobicContact CZ-CZ 3.63Å; F638-M853 HydrophobicContact CD2-CE 4.15Å; F638-M853 HydrophobicContact CD2-SD 4.16Å; F638-M853 HydrophobicContact CE2-CE 4.37Å
639	A	98.4	Very high	97.6	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-63.6	-46.4	176.1	0	0	0	0	0	110.4	G635 E636 S642 L643 F817 L820 R821	G635-A639 PolarHBondContact O-N 2.82Å; G635-A639 VanDerWaalsContact O-N 3.11Å; E636-A639 WeakPolarHBondContact O-CB 3.41Å; E636-A639 PolarHBondContact O-N 3.19Å; E636-A639 VanDerWaalsContact O-N 3.13Å; A639-S642 PolarHBondContact O-OG 3.17Å; A639-L643 WeakPolarHBondContact O-CB 3.39Å; A639-L643 WeakPolarHBondContact O-CD1 3.36Å; A639-L643 WeakPolarHBondContact O-CG 3.25Å; A639-L643 PolarHBondContact O-N 2.89Å; A639-F817 HydrophobicContact CB-CD2 3.8Å; A639-F817 HydrophobicContact CB-CE2 4.4Å; A639-F817 HydrophobicContact CB-CG 4.45Å; A639-L820 HydrophobicContact CB-CB 3.98Å; A639-L820 HydrophobicContact CB-CD1 3.93Å; A639-R821 HydrophobicContact CB-CG 4.37Å
640	Y	98.5	Very high	97.6	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-63.3	-53.9	177.3	-59	-16.4	0	0	0	111.5	E636 L637 S642 L643 L644 V650 L652 L682 F692 L719 I721 L820	E636-Y640 HydrophobicContact CG-CD2 4.23Å; E636-Y640 HydrophobicContact CG-CE1 4.18Å; E636-Y640 HydrophobicContact CG-CE2 3.5Å; E636-Y640 VanDerWaalsContact CG-CZ 3.46Å; E636-Y640 WeakPolarHBondContact CG-OH 3.32Å; E636-Y640 PolarHBondContact O-N 3.26Å; E636-Y640 PolarHBondContact OE1-OH 3.12Å; L637-Y640 HydrophobicContact CD2-CD2 4.43Å; Y640-S642 VanDerWaalsContact C-N 3.3Å; Y640-S642 PolarHBondContact O-N 2.64Å; Y640-L643 PolarHBondContact O-N 3.17Å; Y640-L644 WeakPolarHBondContact O-CG 3.44Å; Y640-L644 PolarHBondContact O-N 2.94Å; Y640-V650 HydrophobicContact CD1-CG1 3.81Å; Y640-V650 HydrophobicContact CE1-CG1 4.22Å; Y640-V650 HydrophobicContact CG-CG1 4.02Å; Y640-L652 HydrophobicContact CE2-CD2 4.34Å; Y640-L682 HydrophobicContact CD2-CD1 4.15Å; Y640-F692 AromaticContact CD2-CE2 3.89Å; Y640-F692 HydrophobicContact CD2-CE2 3.89Å; Y640-F692 HydrophobicContact CD2-CZ 4.13Å; Y640-F692 HydrophobicContact CE2-CE2 4.38Å; Y640-F692 HydrophobicContact CG-CE2 4.39Å; Y640-L719 HydrophobicContact CD1-CD2 4.21Å; Y640-L719 HydrophobicContact CE1-CD2 4.21Å; Y640-I721 HydrophobicContact CD1-CD1 4.47Å; Y640-I721 HydrophobicContact CE1-CD1 3.43Å; Y640-I721 VanDerWaalsContact CE1-CD1 3.43Å; Y640-I721 WeakPolarHBondContact OH-CD1 3Å; Y640-L820 HydrophobicContact CE1-CD1 3.9Å
641	G	98.1	Very high	97.7	Very high	0 Å²	0	15 Å²	15	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-58.8	-39	-177.4	0	0	0	0	0	113.7	I597 L637 L644 R645 L685	I597-G641 VanDerWaalsContact CD1-C 3.44Å; L637-G641 PolarHBondContact O-N 3.02Å; G641-L644 PolarHBondContact O-N 3.21Å; G641-R645 PolarHBondContact O-N 3.4Å; G641-R645 VanDerWaalsContact O-N 3.1Å; G641-L685 VanDerWaalsContact CA-CD1 3.48Å
642	S	98.1	Very high	97.8	Very high	1 Å²	1	14.1 Å²	14.1	1%	0.007	8%	0.076	C	C	.	.	H	α-helix	trans	-69	-40.8	177.7	57.9	0	0	0	0	112.5	F638 A639 Y640 R645 E646 R821	F638-S642 VanDerWaalsContact O-CB 3.25Å; F638-S642 WeakPolarHBondContact O-CB 3.29Å; F638-S642 PolarHBondContact O-N 2.89Å; F638-S642 PolarHBondContact O-OG 2.77Å; A639-S642 PolarHBondContact O-OG 3.17Å; Y640-S642 VanDerWaalsContact C-N 3.3Å; Y640-S642 PolarHBondContact O-N 2.64Å; S642-R645 WeakPolarHBondContact O-CB 3.21Å; S642-R645 PolarHBondContact O-N 2.94Å; S642-E646 WeakPolarHBondContact O-CG 3.46Å; S642-E646 PolarHBondContact O-N 3.33Å; S642-R821 VanDerWaalsContact CB-NH1 3.34Å; S642-R821 PolarHBondContact OG-NH1 3.44Å
643	L	98	Very high	97.8	Very high	0 Å²	0	14 Å²	14	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-65	-40.6	174.6	-69.1	171.3	0	0	0	111.5	A639 Y640 R645 E646 G647 I648 V650 L719 R821	A639-L643 WeakPolarHBondContact O-CB 3.39Å; A639-L643 WeakPolarHBondContact O-CD1 3.36Å; A639-L643 WeakPolarHBondContact O-CG 3.25Å; A639-L643 PolarHBondContact O-N 2.89Å; Y640-L643 PolarHBondContact O-N 3.17Å; L643-R645 VanDerWaalsContact C-N 3.29Å; L643-R645 PolarHBondContact O-N 3.1Å; L643-E646 CarbonylContact O-C 3.42Å; L643-E646 WeakPolarHBondContact O-CA 3.28Å; L643-E646 WeakPolarHBondContact O-CB 3.32Å; L643-E646 PolarHBondContact O-N 3.06Å; L643-G647 PolarHBondContact O-N 3.41Å; L643-I648 HydrophobicContact CB-CB 4.05Å; L643-I648 HydrophobicContact CB-CD1 4.45Å; L643-I648 HydrophobicContact CB-CG2 4.1Å; L643-I648 HydrophobicContact CD2-CD1 3.53Å; L643-I648 HydrophobicContact CD2-CG2 4.48Å; L643-I648 WeakPolarHBondContact O-CB 3.3Å; L643-I648 PolarHBondContact O-N 2.89Å; L643-V650 HydrophobicContact CB-CG2 4.12Å; L643-V650 HydrophobicContact CD1-CG2 4.44Å; L643-L719 HydrophobicContact CD1-CD2 3.62Å; L643-R821 HydrophobicContact CD1-CG 4.39Å; L643-R821 HydrophobicContact CD2-CG 4.19Å; L643-R821 HydrophobicContact CG-CG 4.15Å
644	L	98.2	Very high	97.9	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-60.5	-39.8	176.5	-64.5	165.2	0	0	0	111.6	Y640 G641 E646 G647 V650 L682 L685 Q689 A690 P691 F692	Y640-L644 WeakPolarHBondContact O-CG 3.44Å; Y640-L644 PolarHBondContact O-N 2.94Å; G641-L644 PolarHBondContact O-N 3.21Å; L644-E646 VanDerWaalsContact C-N 3.27Å; L644-E646 PolarHBondContact O-N 3.48Å; L644-G647 PolarHBondContact O-N 3.21Å; L644-V650 HydrophobicContact CD2-CB 4.21Å; L644-V650 HydrophobicContact CD2-CG2 4.13Å; L644-V650 HydrophobicContact CG-CG2 4.27Å; L644-L682 HydrophobicContact CD1-CB 4.11Å; L644-L685 HydrophobicContact CD1-CD1 4.39Å; L644-Q689 HydrophobicContact CB-CB 4.41Å; L644-Q689 WeakPolarHBondContact O-CA 3.46Å; L644-A690 HydrophobicContact CD2-CB 4.35Å; L644-A690 WeakPolarHBondContact CD2-O 3.41Å; L644-A690 PolarHBondContact O-N 3.35Å; L644-P691 WeakPolarHBondContact CD2-O 3.3Å; L644-F692 HydrophobicContact CD1-CB 3.71Å; L644-F692 HydrophobicContact CD1-CD2 4.46Å; L644-F692 HydrophobicContact CD1-CG 4.24Å; L644-F692 HydrophobicContact CD2-CB 3.88Å; L644-F692 HydrophobicContact CG-CB 4.47Å
645	R	97	Very high	97.9	Very high	114 Å²	114	14.3 Å²	14.3	43%	0.43	8%	0.076	S	C	.	.	H	α-helix	trans	-60.1	-38.1	173.1	-172.6	-169.8	177.1	-156.5	8.9	112.1	G641 S642 L643 G647 Y686	G641-R645 PolarHBondContact O-N 3.4Å; G641-R645 VanDerWaalsContact O-N 3.1Å; S642-R645 WeakPolarHBondContact O-CB 3.21Å; S642-R645 PolarHBondContact O-N 2.94Å; L643-R645 VanDerWaalsContact C-N 3.29Å; L643-R645 PolarHBondContact O-N 3.1Å; R645-G647 PolarHBondContact O-N 3.36Å; R645-Y686 HydrophobicContact CB-CD2 3.84Å; R645-Y686 HydrophobicContact CB-CE2 3.58Å; R645-Y686 HydrophobicContact CG-CD2 3.93Å; R645-Y686 HydrophobicContact CG-CE1 4.38Å; R645-Y686 HydrophobicContact CG-CE2 3.72Å; R645-Y686 HydrophobicContact CG-CG 4.36Å
646	E	95.8	Very high	97.9	Very high	88 Å²	88	17.3 Å²	17.3	41%	0.411	9%	0.092	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.1	5.3	179.2	-69.1	165.3	-163.5	0	0	113.3	S642 L643 L644 I648 R821	S642-E646 WeakPolarHBondContact O-CG 3.46Å; S642-E646 PolarHBondContact O-N 3.33Å; L643-E646 CarbonylContact O-C 3.42Å; L643-E646 WeakPolarHBondContact O-CA 3.28Å; L643-E646 WeakPolarHBondContact O-CB 3.32Å; L643-E646 PolarHBondContact O-N 3.06Å; L644-E646 VanDerWaalsContact C-N 3.27Å; L644-E646 PolarHBondContact O-N 3.48Å; E646-I648 HydrophobicContact CB-CD1 4.2Å; E646-R821 IonicContact OE1-CZ 2.81Å; E646-R821 VanDerWaalsContact OE1-CZ 3.3Å; E646-R821 IonicContact OE1-NH1 2.98Å; E646-R821 PolarHBondContact OE1-NH1 3.2Å; E646-R821 IonicContact OE1-NH2 3.78Å; E646-R821 PolarHBondContact OE1-NH2 2.94Å; E646-R821 IonicContact OE2-CZ 3.58Å; E646-R821 IonicContact OE2-NH1 3.8Å; E646-R821 PolarHBondContact OE2-NH1 3.47Å; E646-R821 IonicContact OE2-NH2 3.51Å; E646-R821 PolarHBondContact OE2-NH2 3.39Å
647	G	96.1	Very high	97.9	Very high	50 Å²	50	17.2 Å²	17.2	52%	0.515	9%	0.091	S	C	.	.	T	Hydrogen-bonded Turn	trans	82.4	14.5	178.6	0	0	0	0	0	114.2	L643 L644 R645	L643-G647 PolarHBondContact O-N 3.41Å; L644-G647 PolarHBondContact O-N 3.21Å; R645-G647 PolarHBondContact O-N 3.36Å
648	I	97.3	Very high	97.9	Very high	19 Å²	19	18.8 Å²	18.8	10%	0.097	10%	0.098	C	C	.	.			trans	-93.9	120.9	-178.8	-66.3	161.4	0	0	0	109.9	L643 E646 V650 A690 I824	L643-I648 HydrophobicContact CB-CB 4.05Å; L643-I648 HydrophobicContact CB-CD1 4.45Å; L643-I648 HydrophobicContact CB-CG2 4.1Å; L643-I648 HydrophobicContact CD2-CD1 3.53Å; L643-I648 HydrophobicContact CD2-CG2 4.48Å; L643-I648 WeakPolarHBondContact O-CB 3.3Å; L643-I648 PolarHBondContact O-N 2.89Å; E646-I648 HydrophobicContact CB-CD1 4.2Å; I648-V650 PolarHBondContact O-N 3.28Å; I648-A690 WeakPolarHBondContact O-CB 3.08Å; I648-I824 HydrophobicContact CD1-CB 4.48Å; I648-I824 HydrophobicContact CD1-CG2 3.71Å; I648-I824 HydrophobicContact CG1-CG2 4.12Å; I648-I824 HydrophobicContact CG2-CG1 4.42Å; I648-I824 HydrophobicContact CG2-CG2 3.86Å
649	H	97.9	Very high	97.9	Very high	7 Å²	7	24.3 Å²	24.3	3%	0.032	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	125.9	173.1	177.1	-161.8	0	0	0	109.8	F376 Y377 P691 T693 Y711 A718 L719	F376-H649 AromaticContact CD1-CE1 3.96Å; F376-H649 AromaticContact CD1-ND1 4Å; F376-H649 AromaticContact CE1-CE1 3.36Å; F376-H649 WeakPolarHBondContact CE1-CE1 3.42Å; F376-H649 AromaticContact CE1-ND1 3.35Å; F376-H649 VanDerWaalsContact CE1-ND1 3.35Å; F376-H649 WeakPolarHBondContact CE1-ND1 3.44Å; F376-H649 AromaticContact CZ-CE1 3.49Å; F376-H649 VanDerWaalsContact CZ-CE1 3.49Å; F376-H649 WeakPolarHBondContact CZ-CE1 3.48Å; F376-H649 AromaticContact CZ-ND1 3.89Å; F376-H649 AromaticContact CZ-NE2 3.87Å; Y377-H649 AromaticContact CE1-ND1 3.92Å; Y377-H649 AromaticContact CZ-ND1 3.64Å; Y377-H649 PolarHBondContact OH-ND1 2.98Å; H649-P691 PolarHBondContact CD2-O 2.88Å; H649-T693 WeakPolarHBondContact NE2-CB 3.27Å; H649-T693 PolarHBondContact NE2-OG1 2.83Å; H649-Y711 PolarHBondContact CE1-OH 3.1Å; H649-A718 HydrophobicContact CB-CB 4.2Å; H649-A718 CarbonylContact O-C 3.46Å; H649-A718 VanDerWaalsContact O-CA 3.31Å; H649-A718 WeakPolarHBondContact O-CA 3.21Å; H649-L719 PolarHBondContact O-N 2.69Å
650	V	98.6	Very high	97.8	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	123.1	170.4	179.9	0	0	0	0	109.7	Y640 L643 L644 I648 P691 F692 T693 L719 I721	Y640-V650 HydrophobicContact CD1-CG1 3.81Å; Y640-V650 HydrophobicContact CE1-CG1 4.22Å; Y640-V650 HydrophobicContact CG-CG1 4.02Å; L643-V650 HydrophobicContact CB-CG2 4.12Å; L643-V650 HydrophobicContact CD1-CG2 4.44Å; L644-V650 HydrophobicContact CD2-CB 4.21Å; L644-V650 HydrophobicContact CD2-CG2 4.13Å; L644-V650 HydrophobicContact CG-CG2 4.27Å; I648-V650 PolarHBondContact O-N 3.28Å; V650-P691 PolarHBondContact N-O 2.81Å; V650-F692 HydrophobicContact CB-CD2 3.89Å; V650-F692 HydrophobicContact CB-CE2 4.37Å; V650-F692 HydrophobicContact CG1-CD2 3.88Å; V650-F692 HydrophobicContact CG1-CE2 3.84Å; V650-T693 PolarHBondContact O-N 3.49Å; V650-L719 WeakPolarHBondContact CA-O 3.41Å; V650-L719 HydrophobicContact CB-CB 4.5Å; V650-L719 HydrophobicContact CG1-CB 4.43Å; V650-L719 HydrophobicContact CG1-CD2 4.15Å; V650-L719 HydrophobicContact CG1-CG 4.47Å; V650-L719 HydrophobicContact CG2-CB 4.12Å; V650-L719 HydrophobicContact CG2-CD2 4.23Å; V650-I721 HydrophobicContact CG1-CD1 4.41Å
651	R	98.4	Very high	97.8	Very high	5 Å²	5	25.4 Å²	25.4	2%	0.019	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	121.4	175.4	178.3	175.4	170.5	84.1	3.7	110.1	T693 E708 L719 I721	R651-T693 CarbonylContact C-O 3.19Å; R651-T693 VanDerWaalsContact CA-O 3.24Å; R651-T693 WeakPolarHBondContact CA-O 3.4Å; R651-T693 HydrophobicContact CG-CG2 4.41Å; R651-E708 WeakPolarHBondContact CD-OE2 3.1Å; R651-E708 IonicContact CZ-OE1 2.99Å; R651-E708 IonicContact CZ-OE2 2.79Å; R651-E708 IonicContact NE-OE1 3.61Å; R651-E708 IonicContact NE-OE2 3.33Å; R651-E708 PolarHBondContact NE-OE2 3.38Å; R651-E708 IonicContact NH2-OE1 2.73Å; R651-E708 PolarHBondContact NH2-OE1 2.93Å; R651-E708 IonicContact NH2-OE2 3.32Å; R651-L719 PolarHBondContact N-O 2.93Å; R651-I721 PolarHBondContact O-N 2.96Å
652	L	98.7	Very high	97.7	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	119.7	177	174.1	62.2	0	0	0	110.1	Y640 V657 T693 V694 C695 I721 E723	Y640-L652 HydrophobicContact CE2-CD2 4.34Å; L652-V657 HydrophobicContact CD1-CB 4.48Å; L652-V657 HydrophobicContact CD1-CG1 4.44Å; L652-V657 HydrophobicContact CD2-CB 4.19Å; L652-V657 HydrophobicContact CG-CB 4.02Å; L652-V657 HydrophobicContact CG-CG1 4.49Å; L652-V657 HydrophobicContact CG-CG2 4.19Å; L652-T693 PolarHBondContact N-O 3.05Å; L652-V694 HydrophobicContact CB-CG2 4.31Å; L652-V694 HydrophobicContact CD2-CG2 4.07Å; L652-V694 HydrophobicContact CG-CG2 4.28Å; L652-V694 WeakPolarHBondContact O-CA 3.38Å; L652-C695 PolarHBondContact O-N 2.6Å; L652-I721 HydrophobicContact CD1-CB 3.87Å; L652-I721 HydrophobicContact CD1-CG2 3.64Å; L652-E723 HydrophobicContact CD1-CB 4.23Å
653	S	98.6	Very high	97.6	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	141.2	-174.4	-179.7	0	0	0	0	110.5	Y415 E708 I721 W722 E723	Y415-S653 PolarHBondContact OH-OG 2.85Å; S653-E708 WeakPolarHBondContact CB-OE1 3.39Å; S653-E708 VanDerWaalsContact OG-CD 3.24Å; S653-E708 PolarHBondContact OG-OE1 3.25Å; S653-I721 PolarHBondContact N-O 2.95Å; S653-W722 VanDerWaalsContact O-CA 3.3Å; S653-W722 WeakPolarHBondContact O-CA 3.13Å; S653-E723 PolarHBondContact O-N 3.42Å
654	G	98.5	Very high	97.4	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	154.8	179	-179.6	0	0	0	0	0	111.5	D656 N696 S697	G654-D656 PolarHBondContact O-N 3.37Å; G654-N696 CarbonylContact O-C 3.12Å; G654-N696 WeakPolarHBondContact O-CA 3.43Å; G654-S697 PolarHBondContact O-N 3.5Å; G654-S697 PolarHBondContact O-OG 3.02Å
655	Q	98.1	Very high	97.4	Very high	12 Å²	12	30.4 Å²	30.4	6%	0.056	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.9	127.4	-179.1	-65.1	165.8	17.3	0	0	110.1	V657 S697 L699 E701 Q725	Q655-V657 PolarHBondContact O-N 3.13Å; Q655-S697 PolarHBondContact N-OG 3.4Å; Q655-L699 HydrophobicContact CG-CD1 4.41Å; Q655-E701 PolarHBondContact NE2-OE1 3.12Å; Q655-Q725 HydrophobicContact CB-CB 4.33Å
656	D	97.7	Very high	97.3	Very high	62 Å²	62	26.1 Å²	26.1	33%	0.332	14%	0.139	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.3	16.5	176.6	-52.9	-81	0	0	0	115.8	G654 E658 R659 G660 N696 Q725	G654-D656 PolarHBondContact O-N 3.37Å; D656-E658 PolarHBondContact O-N 3.27Å; D656-R659 PolarHBondContact O-N 2.76Å; D656-G660 CarbonylContact O-C 3.51Å; D656-G660 WeakPolarHBondContact O-CA 3.26Å; D656-G660 PolarHBondContact O-N 2.89Å; D656-N696 WeakPolarHBondContact CA-OD1 3.28Å; D656-N696 PolarHBondContact N-OD1 2.93Å; D656-Q725 PolarHBondContact OD2-NE2 2.89Å
657	V	98.3	Very high	97.4	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-26.5	-173	-65	0	0	0	0	113.9	L652 Q655 R659 G660 R665 V694 C695 N696 E723	L652-V657 HydrophobicContact CD1-CB 4.48Å; L652-V657 HydrophobicContact CD1-CG1 4.44Å; L652-V657 HydrophobicContact CD2-CB 4.19Å; L652-V657 HydrophobicContact CG-CB 4.02Å; L652-V657 HydrophobicContact CG-CG1 4.49Å; L652-V657 HydrophobicContact CG-CG2 4.19Å; Q655-V657 PolarHBondContact O-N 3.13Å; V657-R659 VanDerWaalsContact C-N 3.3Å; V657-R659 PolarHBondContact O-N 3.23Å; V657-G660 PolarHBondContact O-N 3.06Å; V657-R665 WeakPolarHBondContact O-CD 3.42Å; V657-R665 PolarHBondContact O-NH1 3.27Å; V657-V694 HydrophobicContact CG2-CG2 4.01Å; V657-C695 VanDerWaalsContact CG2-O 3.25Å; V657-C695 WeakPolarHBondContact CG2-O 3.42Å; V657-N696 PolarHBondContact N-OD1 3.38Å; V657-E723 HydrophobicContact CG1-CB 3.85Å; V657-E723 HydrophobicContact CG1-CG 4.37Å
658	E	97.8	Very high	97.4	Very high	36 Å²	36	20.2 Å²	20.2	17%	0.168	10%	0.099	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-40.5	177.5	-71.5	176.1	-163.3	0	0	112.1	D656 H666 S667 V668 V694 N696	D656-E658 PolarHBondContact O-N 3.27Å; E658-H666 CarbonylContact O-C 3.09Å; E658-S667 PolarHBondContact O-N 3.41Å; E658-V668 HydrophobicContact CB-CB 3.99Å; E658-V668 HydrophobicContact CB-CG2 3.6Å; E658-V668 HydrophobicContact CG-CB 4.36Å; E658-V668 HydrophobicContact CG-CG2 3.52Å; E658-V668 PolarHBondContact O-N 3.49Å; E658-V694 HydrophobicContact CB-CG2 4.45Å; E658-V694 HydrophobicContact CG-CG1 4.34Å; E658-V694 HydrophobicContact CG-CG2 3.87Å; E658-N696 WeakPolarHBondContact CB-OD1 3.3Å; E658-N696 VanDerWaalsContact CD-CG 3.5Å; E658-N696 WeakPolarHBondContact CG-OD1 3.46Å; E658-N696 PolarHBondContact N-OD1 3.24Å; E658-N696 VanDerWaalsContact N-OD1 3.12Å; E658-N696 PolarHBondContact OE1-N 2.92Å; E658-N696 PolarHBondContact OE2-ND2 2.84Å
659	R	97.4	Very high	97.3	Very high	117 Å²	117	19.4 Å²	19.4	44%	0.442	10%	0.095	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.8	-35	172.1	-170.7	-166.7	73.8	-163	3.5	111.4	D656 V657 T661 R665 H666	D656-R659 PolarHBondContact O-N 2.76Å; V657-R659 VanDerWaalsContact C-N 3.3Å; V657-R659 PolarHBondContact O-N 3.23Å; R659-T661 PolarHBondContact NH2-O 3.16Å; R659-R665 PolarHBondContact O-N 3.37Å; R659-R665 VanDerWaalsContact O-N 3.16Å; R659-H666 PolarHBondContact O-N 2.99Å
660	G	97.2	Very high	97.2	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	11%	0.113	C	C	.	.			trans	81.9	136.3	-158.8	0	0	0	0	0	110.9	D656 V657 F662 S663	D656-G660 CarbonylContact O-C 3.51Å; D656-G660 WeakPolarHBondContact O-CA 3.26Å; D656-G660 PolarHBondContact O-N 2.89Å; V657-G660 PolarHBondContact O-N 3.06Å; G660-F662 PolarHBondContact O-N 3.1Å; G660-F662 VanDerWaalsContact O-N 3.15Å; G660-S663 PolarHBondContact O-N 2.85Å
661	T	97.2	Very high	97.1	Very high	22 Å²	22	24 Å²	24	14%	0.135	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	-46.2	-47.7	177	-54.5	0	0	0	0	111.2	R659 S663 Q725 F726	R659-T661 PolarHBondContact NH2-O 3.16Å; T661-S663 VanDerWaalsContact C-N 3.29Å; T661-S663 PolarHBondContact O-N 3.47Å; T661-Q725 HydrophobicContact CG2-CG 3.56Å; T661-Q725 PolarHBondContact OG1-O 3.17Å; T661-F726 HydrophobicContact CG2-CE2 4.05Å
662	F	96.7	Very high	97	Very high	37 Å²	37	28.5 Å²	28.5	16%	0.162	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.7	12.5	-176.9	-49.7	-74.1	0	0	0	113.7	G660 H664 F726 P759 K838 L841 R842	G660-F662 PolarHBondContact O-N 3.1Å; G660-F662 VanDerWaalsContact O-N 3.15Å; F662-H664 VanDerWaalsContact C-N 3.32Å; F662-H664 PolarHBondContact O-N 3.23Å; F662-F726 AromaticContact CE1-CE1 3.95Å; F662-F726 HydrophobicContact CE1-CE1 3.95Å; F662-F726 HydrophobicContact CE1-CE2 4.23Å; F662-F726 AromaticContact CE1-CZ 3.61Å; F662-F726 HydrophobicContact CE1-CZ 3.61Å; F662-F726 HydrophobicContact CZ-CD1 4.43Å; F662-F726 AromaticContact CZ-CE1 4Å; F662-F726 HydrophobicContact CZ-CE1 4Å; F662-F726 HydrophobicContact CZ-CE2 4.28Å; F662-F726 AromaticContact CZ-CZ 3.91Å; F662-F726 HydrophobicContact CZ-CZ 3.91Å; F662-P759 HydrophobicContact CE2-CB 3.85Å; F662-P759 HydrophobicContact CE2-CG 4.02Å; F662-P759 HydrophobicContact CZ-CB 4Å; F662-K838 HydrophobicContact CE1-CB 4.14Å; F662-K838 HydrophobicContact CE1-CD 4.14Å; F662-K838 HydrophobicContact CE1-CG 3.95Å; F662-K838 HydrophobicContact CE2-CG 4.06Å; F662-K838 HydrophobicContact CZ-CB 4.17Å; F662-K838 HydrophobicContact CZ-CD 3.89Å; F662-K838 HydrophobicContact CZ-CG 3.54Å; F662-L841 HydrophobicContact CB-CD1 3.59Å; F662-L841 HydrophobicContact CD2-CD1 3.56Å; F662-L841 HydrophobicContact CG-CD1 3.75Å; F662-R842 PolarHBondContact O-NH1 3.36Å; F662-R842 PolarHBondContact O-NH2 2.81Å
663	S	96	Very high	96.8	Very high	49 Å²	49	36 Å²	36	34%	0.343	17%	0.173	S	C	.	.	S	Bend	trans	53.4	45.5	-178.5	-166.8	0	0	0	0	113.1	G660 T661 H666 R842	G660-S663 PolarHBondContact O-N 2.85Å; T661-S663 VanDerWaalsContact C-N 3.29Å; T661-S663 PolarHBondContact O-N 3.47Å; S663-H666 PolarHBondContact O-NE2 3.21Å; S663-H666 VanDerWaalsContact O-NE2 3.14Å; S663-H666 PolarHBondContact OG-CE1 2.95Å; S663-H666 PolarHBondContact OG-NE2 2.88Å; S663-R842 PolarHBondContact O-NH2 2.8Å
664	H	94.9	Very high	96.7	Very high	20 Å²	20	39.5 Å²	39.5	9%	0.093	19%	0.194	C	C	.	.			trans	-107.5	-32.9	179.9	62.9	-69.2	0	0	0	112.7	R621 A633 F662 L841	R621-H664 PolarHBondContact NH2-O 2.87Å; A633-H664 WeakPolarHBondContact CB-O 3.4Å; F662-H664 VanDerWaalsContact C-N 3.32Å; F662-H664 PolarHBondContact O-N 3.23Å; H664-L841 HydrophobicContact CB-CD1 4.22Å
665	R	96.7	Very high	96.5	Very high	0 Å²	0	46 Å²	46	0%	0	23%	0.229	C	C	.	.			trans	-86.4	-49.5	-166.1	-173.3	177	-60.7	109.9	0.6	114	R621 E636 L637 V657 R659 S667 E723	R621-R665 PolarHBondContact NH2-O 2.88Å; E636-R665 VanDerWaalsContact CD-NE 3.32Å; E636-R665 IonicContact OE1-CZ 3.27Å; E636-R665 IonicContact OE1-NE 3.82Å; E636-R665 PolarHBondContact OE1-NE 2.77Å; E636-R665 IonicContact OE1-NH2 3.4Å; E636-R665 PolarHBondContact OE1-NH2 3.39Å; E636-R665 IonicContact OE2-CZ 2.97Å; E636-R665 IonicContact OE2-NE 2.7Å; E636-R665 PolarHBondContact OE2-NE 3.13Å; E636-R665 IonicContact OE2-NH2 2.87Å; E636-R665 PolarHBondContact OE2-NH2 2.97Å; L637-R665 HydrophobicContact CD2-CG 4.48Å; V657-R665 WeakPolarHBondContact O-CD 3.42Å; V657-R665 PolarHBondContact O-NH1 3.27Å; R659-R665 PolarHBondContact O-N 3.37Å; R659-R665 VanDerWaalsContact O-N 3.16Å; R665-S667 WeakPolarHBondContact CD-OG 3.49Å; R665-S667 VanDerWaalsContact CG-OG 3.26Å; R665-S667 WeakPolarHBondContact CG-OG 3.41Å; R665-S667 PolarHBondContact O-N 3.18Å; R665-S667 VanDerWaalsContact O-N 3.13Å; R665-E723 IonicContact CZ-OE1 3.75Å; R665-E723 IonicContact CZ-OE2 3.62Å; R665-E723 VanDerWaalsContact CZ-OE2 3.28Å; R665-E723 IonicContact NH1-OE1 3.79Å; R665-E723 IonicContact NH1-OE2 3.72Å; R665-E723 PolarHBondContact NH1-OE2 2.96Å; R665-E723 VanDerWaalsContact NH2-CD 3.31Å; R665-E723 IonicContact NH2-OE1 2.91Å; R665-E723 PolarHBondContact NH2-OE1 3.34Å; R665-E723 IonicContact NH2-OE2 2.75Å; R665-E723 PolarHBondContact NH2-OE2 3.41Å; R665-E723 VanDerWaalsContact NH2-OE2 3.07Å
666	H	96.2	Very high	96.1	Very high	24 Å²	24	53.8 Å²	53.8	11%	0.111	26%	0.263	C	S	.	.			trans	42.8	48.9	179.9	-58.9	-71.2	0	0	0	113.7	L614 E658 R659 S663 V668 L669	L614-H666 HydrophobicContact CD1-CB 3.86Å; E658-H666 CarbonylContact O-C 3.09Å; R659-H666 PolarHBondContact O-N 2.99Å; S663-H666 PolarHBondContact O-NE2 3.21Å; S663-H666 VanDerWaalsContact O-NE2 3.14Å; S663-H666 PolarHBondContact OG-CE1 2.95Å; S663-H666 PolarHBondContact OG-NE2 2.88Å; H666-V668 VanDerWaalsContact C-N 3.25Å; H666-L669 HydrophobicContact CB-CD2 4.49Å
667	S	96.5	Very high	96	Very high	4 Å²	4	54.8 Å²	54.8	3%	0.028	26%	0.264	C	S	.	.			trans	-70.1	-26.2	176.7	-77	0	0	0	0	112	E658 R665 P681	E658-S667 PolarHBondContact O-N 3.41Å; R665-S667 WeakPolarHBondContact CD-OG 3.49Å; R665-S667 VanDerWaalsContact CG-OG 3.26Å; R665-S667 WeakPolarHBondContact CG-OG 3.41Å; R665-S667 PolarHBondContact O-N 3.18Å; R665-S667 VanDerWaalsContact O-N 3.13Å; S667-P681 WeakPolarHBondContact O-CD 3.47Å
668	V	96.3	Very high	95.9	Very high	11 Å²	11	58.2 Å²	58.2	7%	0.067	29%	0.285	C	S	.	.	S	Bend	trans	-114.5	125.5	172.9	-171.8	0	0	0	0	108.8	E658 H666 T678 V680 V694	E658-V668 HydrophobicContact CB-CB 3.99Å; E658-V668 HydrophobicContact CB-CG2 3.6Å; E658-V668 HydrophobicContact CG-CB 4.36Å; E658-V668 HydrophobicContact CG-CG2 3.52Å; E658-V668 PolarHBondContact O-N 3.49Å; H666-V668 VanDerWaalsContact C-N 3.25Å; V668-T678 HydrophobicContact CG1-CG2 3.95Å; V668-V680 HydrophobicContact CG1-CG2 4.39Å; V668-V680 HydrophobicContact CG2-CG2 4.04Å; V668-V694 HydrophobicContact CG2-CG1 3.58Å
669	L	96	Very high	95.8	Very high	1 Å²	1	59 Å²	59	1%	0.005	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	141.9	171.4	-44.5	-178.2	0	0	0	108.2	M608 L614 H666 T678 Y679 P681	M608-L669 HydrophobicContact CE-CB 3.86Å; M608-L669 WeakPolarHBondContact CE-O 3.47Å; M608-L669 HydrophobicContact SD-CB 4.15Å; L614-L669 HydrophobicContact CD2-CD2 3.82Å; H666-L669 HydrophobicContact CB-CD2 4.49Å; L669-T678 CarbonylContact O-C 3.38Å; L669-T678 WeakPolarHBondContact O-CA 3.5Å; L669-Y679 HydrophobicContact CD1-CD1 4.14Å; L669-Y679 PolarHBondContact N-O 3.03Å; L669-Y679 PolarHBondContact O-N 3.07Å; L669-P681 HydrophobicContact CD1-CG 3.94Å; L669-P681 HydrophobicContact CG-CG 4.13Å
670	H	95.4	Very high	95.8	Very high	90 Å²	90	54.7 Å²	54.7	42%	0.417	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	131.4	177.6	-68.7	-104.8	0	0	0	110.5	Q672 T678	H670-Q672 PolarHBondContact O-NE2 3.37Å; H670-Q672 VanDerWaalsContact O-NE2 3.08Å; H670-T678 WeakPolarHBondContact ND1-CG2 3.37Å
671	D	96.4	Very high	95.7	Very high	15 Å²	15	54.9 Å²	54.9	8%	0.08	27%	0.274	C	S	.	.			trans	-69	133	174	-163	-61.1	0	0	0	108.7	M608 V609 E673 V674 K677	M608-D671 WeakPolarHBondContact CA-OD2 3.25Å; M608-D671 HydrophobicContact CE-CB 4.08Å; M608-D671 HydrophobicContact CG-CB 4.1Å; V609-D671 PolarHBondContact N-OD2 3.35Å; V609-D671 WeakPolarHBondContact O-CA 3.46Å; D671-E673 VanDerWaalsContact C-N 3.34Å; D671-E673 PolarHBondContact OD1-N 2.79Å; D671-V674 HydrophobicContact CB-CB 4.28Å; D671-V674 PolarHBondContact OD1-N 3.28Å; D671-V674 VanDerWaalsContact OD1-N 3.13Å; D671-K677 HydrophobicContact CB-CB 3.82Å; D671-K677 HydrophobicContact CB-CD 3.86Å; D671-K677 HydrophobicContact CB-CG 3.95Å; D671-K677 WeakPolarHBondContact CB-O 3.3Å; D671-K677 PolarHBondContact N-O 2.96Å; D671-K677 WeakPolarHBondContact OD2-CD 3.49Å; D671-K677 WeakPolarHBondContact OD2-CE 3.27Å; D671-K677 IonicContact OD2-NZ 3.6Å; D671-K677 PolarHBondContact OD2-NZ 2.87Å
672	Q	95.9	Very high	95.7	Very high	99 Å²	99	53.9 Å²	53.9	46%	0.463	27%	0.268	S	S	.	.	S	Bend	trans	-82.5	-14.1	-176.9	-60.1	-58.2	-82.5	0	0	113	V609 H611 H670	V609-Q672 HydrophobicContact CG1-CB 4.16Å; V609-Q672 WeakPolarHBondContact O-CG 3.38Å; V609-Q672 PolarHBondContact O-N 3.15Å; H611-Q672 HydrophobicContact CB-CG 4.17Å; H611-Q672 PolarHBondContact CD2-OE1 2.9Å; H670-Q672 PolarHBondContact O-NE2 3.37Å; H670-Q672 VanDerWaalsContact O-NE2 3.08Å
673	E	96.1	Very high	95.7	Very high	157 Å²	157	54.8 Å²	54.8	73%	0.734	28%	0.275	S	S	*	.	S	Bend	trans	-112.1	-20.9	-177	-63.9	-175.4	176.6	0	0	112.6	V609 D671	V609-E673 HydrophobicContact CB-CG 4.16Å; V609-E673 HydrophobicContact CG1-CG 4.19Å; V609-E673 HydrophobicContact CG2-CG 4.15Å; D671-E673 VanDerWaalsContact C-N 3.34Å; D671-E673 PolarHBondContact OD1-N 2.79Å
674	V	95.3	Very high	95.7	Very high	73 Å²	73	57.5 Å²	57.5	44%	0.442	28%	0.282	S	S	.	.	S	Bend	trans	-117.8	112.3	-178.8	-172.7	0	0	0	0	111	D671 K677	D671-V674 HydrophobicContact CB-CB 4.28Å; D671-V674 PolarHBondContact OD1-N 3.28Å; D671-V674 VanDerWaalsContact OD1-N 3.13Å; V674-K677 HydrophobicContact CB-CB 3.83Å; V674-K677 HydrophobicContact CB-CD 3.88Å; V674-K677 HydrophobicContact CG1-CB 3.75Å; V674-K677 HydrophobicContact CG1-CD 4.08Å; V674-K677 HydrophobicContact CG2-CD 4.18Å; V674-K677 WeakPolarHBondContact O-CB 3.04Å; V674-K677 PolarHBondContact O-N 3.18Å
675	D	93.6	Very high	95.8	Very high	136 Å²	136	57 Å²	57	73%	0.727	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56	140.5	177.2	-174.9	38.6	0	0	0	111.8	K677	D675-K677 PolarHBondContact O-N 3.12Å
676	K	91.4	Very high	95.8	Very high	177 Å²	177	59.1 Å²	59.1	77%	0.77	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.5	6.2	-179.3	-59.6	170.6	-170.7	176	0	116.3	T678	K676-T678 PolarHBondContact O-N 3.01Å
677	K	95.2	Very high	95.6	Very high	83 Å²	83	65 Å²	65	36%	0.361	33%	0.328	S	S	.	.			trans	-79	105.3	172	-178.1	-179.2	169.6	-155.7	0	109	G607 D671 V674 D675	G607-K677 PolarHBondContact O-NZ 3.09Å; G607-K677 VanDerWaalsContact O-NZ 3.13Å; D671-K677 HydrophobicContact CB-CB 3.82Å; D671-K677 HydrophobicContact CB-CD 3.86Å; D671-K677 HydrophobicContact CB-CG 3.95Å; D671-K677 WeakPolarHBondContact CB-O 3.3Å; D671-K677 PolarHBondContact N-O 2.96Å; D671-K677 WeakPolarHBondContact OD2-CD 3.49Å; D671-K677 WeakPolarHBondContact OD2-CE 3.27Å; D671-K677 IonicContact OD2-NZ 3.6Å; D671-K677 PolarHBondContact OD2-NZ 2.87Å; V674-K677 HydrophobicContact CB-CB 3.83Å; V674-K677 HydrophobicContact CB-CD 3.88Å; V674-K677 HydrophobicContact CG1-CB 3.75Å; V674-K677 HydrophobicContact CG1-CD 4.08Å; V674-K677 HydrophobicContact CG2-CD 4.18Å; V674-K677 WeakPolarHBondContact O-CB 3.04Å; V674-K677 PolarHBondContact O-N 3.18Å; D675-K677 PolarHBondContact O-N 3.12Å
678	T	95.2	Very high	95.4	Very high	71 Å²	71	69.8 Å²	69.8	44%	0.436	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	153.2	179	56.7	0	0	0	0	111.7	V668 L669 H670 K676	V668-T678 HydrophobicContact CG1-CG2 3.95Å; L669-T678 CarbonylContact O-C 3.38Å; L669-T678 WeakPolarHBondContact O-CA 3.5Å; H670-T678 WeakPolarHBondContact ND1-CG2 3.37Å; K676-T678 PolarHBondContact O-N 3.01Å
679	Y	96.1	Very high	95.4	Very high	54 Å²	54	70.8 Å²	70.8	21%	0.212	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	136.3	174.3	-178.3	-102.7	0	0	0	110.3	P605 L669 P681 H684	P605-Y679 HydrophobicContact CB-CD1 4.07Å; P605-Y679 HydrophobicContact CB-CD2 4Å; P605-Y679 HydrophobicContact CB-CE1 3.97Å; P605-Y679 HydrophobicContact CB-CE2 3.92Å; P605-Y679 HydrophobicContact CB-CG 4.07Å; P605-Y679 HydrophobicContact CG-CD1 3.59Å; P605-Y679 HydrophobicContact CG-CD2 3.92Å; P605-Y679 HydrophobicContact CG-CE1 3.99Å; P605-Y679 HydrophobicContact CG-CE2 4.31Å; P605-Y679 HydrophobicContact CG-CG 3.53Å; L669-Y679 HydrophobicContact CD1-CD1 4.14Å; L669-Y679 PolarHBondContact N-O 3.03Å; L669-Y679 PolarHBondContact O-N 3.07Å; Y679-P681 HydrophobicContact CD1-CB 4.44Å; Y679-P681 HydrophobicContact CD1-CG 3.78Å; Y679-P681 HydrophobicContact CE1-CB 3.94Å; Y679-P681 HydrophobicContact CE1-CG 3.75Å; Y679-H684 AromaticContact CD2-NE2 3.9Å; Y679-H684 AromaticContact CE2-CD2 3.19Å; Y679-H684 WeakPolarHBondContact CE2-CD2 3.37Å; Y679-H684 AromaticContact CE2-CG 3.91Å; Y679-H684 AromaticContact CE2-NE2 3.4Å; Y679-H684 WeakPolarHBondContact CE2-NE2 3.26Å; Y679-H684 AromaticContact CZ-CD2 3.36Å; Y679-H684 AromaticContact CZ-CG 3.94Å; Y679-H684 WeakPolarHBondContact OH-CB 3.48Å; Y679-H684 PolarHBondContact OH-CD2 2.98Å
680	V	96.5	Very high	95.4	Very high	26 Å²	26	71.2 Å²	71.2	16%	0.158	37%	0.37	C	S	.	.			trans	-116.6	94.4	-179.2	-174.6	0	0	0	0	108.3	V668 L682 N683 H684 F692 V694	V668-V680 HydrophobicContact CG1-CG2 4.39Å; V668-V680 HydrophobicContact CG2-CG2 4.04Å; V680-L682 PolarHBondContact O-N 3.29Å; V680-L682 VanDerWaalsContact O-N 3.12Å; V680-N683 HydrophobicContact CB-CB 4.41Å; V680-N683 HydrophobicContact CG1-CB 4.49Å; V680-N683 WeakPolarHBondContact O-CB 3.43Å; V680-N683 PolarHBondContact O-N 3.2Å; V680-H684 PolarHBondContact O-CD2 2.6Å; V680-H684 VanDerWaalsContact O-CD2 3.27Å; V680-F692 HydrophobicContact CG1-CD1 3.67Å; V680-F692 HydrophobicContact CG1-CE1 4.1Å; V680-V694 HydrophobicContact CG1-CG1 4.28Å
681	P	96.2	Very high	95.4	Very high	3 Å²	3	69.7 Å²	69.7	2%	0.019	37%	0.368	C	S	.	.	G	3₁₀ helix	trans	-54.4	-37.3	-172.3	-27	33.5	0	0	0	114.2	V600 I601 S667 L669 Y679 N683 H684	V600-P681 HydrophobicContact CG1-CB 4.48Å; I601-P681 HydrophobicContact CG2-CB 4.27Å; S667-P681 WeakPolarHBondContact O-CD 3.47Å; L669-P681 HydrophobicContact CD1-CG 3.94Å; L669-P681 HydrophobicContact CG-CG 4.13Å; Y679-P681 HydrophobicContact CD1-CB 4.44Å; Y679-P681 HydrophobicContact CD1-CG 3.78Å; Y679-P681 HydrophobicContact CE1-CB 3.94Å; Y679-P681 HydrophobicContact CE1-CG 3.75Å; P681-N683 PolarHBondContact O-N 2.89Å; P681-N683 VanDerWaalsContact O-N 3.15Å; P681-H684 PolarHBondContact O-N 2.7Å
682	L	97.2	Very high	95.5	Very high	2 Å²	2	69.2 Å²	69.2	1%	0.01	37%	0.365	C	S	.	.	G	3₁₀ helix	trans	-63.5	-18.4	179.1	-74	-179.7	0	0	0	114	I597 I601 L637 Y640 L644 V680 H684 L685 Q689 F692	I597-L682 HydrophobicContact CG2-CD2 4.42Å; I601-L682 HydrophobicContact CG2-CD2 3.86Å; I601-L682 HydrophobicContact CG2-CG 4.39Å; L637-L682 HydrophobicContact CD2-CD1 3.67Å; L637-L682 HydrophobicContact CD2-CG 4.37Å; Y640-L682 HydrophobicContact CD2-CD1 4.15Å; L644-L682 HydrophobicContact CD1-CB 4.11Å; V680-L682 PolarHBondContact O-N 3.29Å; V680-L682 VanDerWaalsContact O-N 3.12Å; L682-H684 VanDerWaalsContact C-N 3.26Å; L682-H684 PolarHBondContact O-N 2.78Å; L682-L685 HydrophobicContact CD2-CD1 3.78Å; L682-L685 HydrophobicContact CD2-CD2 4.46Å; L682-L685 HydrophobicContact CD2-CG 4.41Å; L682-Q689 PolarHBondContact O-NE2 2.95Å; L682-Q689 PolarHBondContact O-OE1 3.17Å; L682-F692 HydrophobicContact CB-CB 4.26Å; L682-F692 HydrophobicContact CB-CD1 3.6Å; L682-F692 HydrophobicContact CB-CE1 4.14Å; L682-F692 HydrophobicContact CB-CG 4.03Å; L682-F692 HydrophobicContact CD1-CD1 3.82Å; L682-F692 HydrophobicContact CD1-CD2 4.36Å; L682-F692 HydrophobicContact CD1-CE1 3.59Å; L682-F692 HydrophobicContact CD1-CE2 4.16Å; L682-F692 HydrophobicContact CD1-CG 4.19Å; L682-F692 HydrophobicContact CD1-CZ 3.76Å; L682-F692 HydrophobicContact CG-CD1 4.34Å; L682-F692 HydrophobicContact CG-CE1 4.42Å
683	N	97	Very high	95.6	Very high	56 Å²	56	66 Å²	66	30%	0.299	35%	0.352	S	S	.	.	G	3₁₀ helix	trans	-82	-0.2	174.1	-81.4	-38.1	0	0	0	113.6	V680 P681 F692	V680-N683 HydrophobicContact CB-CB 4.41Å; V680-N683 HydrophobicContact CG1-CB 4.49Å; V680-N683 WeakPolarHBondContact O-CB 3.43Å; V680-N683 PolarHBondContact O-N 3.2Å; P681-N683 PolarHBondContact O-N 2.89Å; P681-N683 VanDerWaalsContact O-N 3.15Å; N683-F692 PolarHBondContact ND2-O 3.4Å; N683-F692 WeakPolarHBondContact OD1-CA 3.45Å; N683-F692 WeakPolarHBondContact OD1-CB 3.26Å; N683-F692 PolarHBondContact OD1-N 3.07Å; N683-F692 PolarHBondContact OD1-O 3.21Å
684	H	96.1	Very high	95.7	Very high	105 Å²	105	59.3 Å²	59.3	49%	0.486	32%	0.322	S	S	.	.	G	3₁₀ helix	trans	-130.3	28	-174.2	-56.6	-75.8	0	0	0	112.7	Y679 V680 P681 L682	Y679-H684 AromaticContact CD2-NE2 3.9Å; Y679-H684 AromaticContact CE2-CD2 3.19Å; Y679-H684 WeakPolarHBondContact CE2-CD2 3.37Å; Y679-H684 AromaticContact CE2-CG 3.91Å; Y679-H684 AromaticContact CE2-NE2 3.4Å; Y679-H684 WeakPolarHBondContact CE2-NE2 3.26Å; Y679-H684 AromaticContact CZ-CD2 3.36Å; Y679-H684 AromaticContact CZ-CG 3.94Å; Y679-H684 WeakPolarHBondContact OH-CB 3.48Å; Y679-H684 PolarHBondContact OH-CD2 2.98Å; V680-H684 PolarHBondContact O-CD2 2.6Å; V680-H684 VanDerWaalsContact O-CD2 3.27Å; P681-H684 PolarHBondContact O-N 2.7Å; L682-H684 VanDerWaalsContact C-N 3.26Å; L682-H684 PolarHBondContact O-N 2.78Å
685	L	96.3	Very high	95.7	Very high	9 Å²	9	55.9 Å²	55.9	5%	0.047	30%	0.301	C	S	.	.	S	Bend	trans	-76.2	-48.7	177.3	-61.1	172.6	0	0	0	111.7	H596 I597 V600 G641 L644 L682	H596-L685 PolarHBondContact NE2-O 2.94Å; I597-L685 HydrophobicContact CB-CD2 4.46Å; I597-L685 HydrophobicContact CG1-CD1 4.19Å; I597-L685 HydrophobicContact CG1-CD2 4.29Å; I597-L685 HydrophobicContact CG2-CD2 4.39Å; V600-L685 HydrophobicContact CB-CD2 3.81Å; V600-L685 HydrophobicContact CG1-CD2 3.87Å; V600-L685 HydrophobicContact CG2-CD2 4.24Å; G641-L685 VanDerWaalsContact CA-CD1 3.48Å; L644-L685 HydrophobicContact CD1-CD1 4.39Å; L682-L685 HydrophobicContact CD2-CD1 3.78Å; L682-L685 HydrophobicContact CD2-CD2 4.46Å; L682-L685 HydrophobicContact CD2-CG 4.41Å
686	Y	96	Very high	95.9	Very high	45 Å²	45	52.4 Å²	52.4	18%	0.176	28%	0.283	C	S	.	.			trans	-141.9	147.9	-174.2	-51.1	-83.8	0	0	0	111.7	H596 R645 S688 Q689	H596-Y686 AromaticContact CD2-CE1 3.39Å; H596-Y686 WeakPolarHBondContact CD2-CE1 3.41Å; H596-Y686 AromaticContact CD2-CZ 3.3Å; H596-Y686 PolarHBondContact CD2-OH 3.22Å; H596-Y686 VanDerWaalsContact CD2-OH 3.24Å; H596-Y686 AromaticContact NE2-CE1 3.62Å; H596-Y686 AromaticContact NE2-CZ 3.89Å; R645-Y686 HydrophobicContact CB-CD2 3.84Å; R645-Y686 HydrophobicContact CB-CE2 3.58Å; R645-Y686 HydrophobicContact CG-CD2 3.93Å; R645-Y686 HydrophobicContact CG-CE1 4.38Å; R645-Y686 HydrophobicContact CG-CE2 3.72Å; R645-Y686 HydrophobicContact CG-CG 4.36Å; Y686-S688 VanDerWaalsContact C-N 3.26Å; Y686-S688 PolarHBondContact O-N 3.38Å; Y686-Q689 HydrophobicContact CD2-CB 4.49Å; Y686-Q689 VanDerWaalsContact O-CG 3.27Å; Y686-Q689 WeakPolarHBondContact O-CG 3.35Å; Y686-Q689 PolarHBondContact O-N 2.73Å; Y686-Q689 PolarHBondContact O-OE1 3.49Å
687	P	93.4	Very high	96.2	Very high	148 Å²	148	44.9 Å²	44.9	96%	0.961	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-29.3	178.8	-26.1	35.2	0	0	0	115.2
688	S	91.9	Very high	96.2	Very high	105 Å²	105	42 Å²	42	73%	0.734	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-108.5	15.6	-176.5	64.6	0	0	0	0	113.7	Y686	Y686-S688 VanDerWaalsContact C-N 3.26Å; Y686-S688 PolarHBondContact O-N 3.38Å
689	Q	95.4	Very high	96.3	Very high	31 Å²	31	45.7 Å²	45.7	15%	0.145	26%	0.259	C	S	.	.	P	Polyproline II helix	trans	-67.6	158.4	-179.1	68.3	173.9	86.3	0	0	112.4	L644 L682 Y686	L644-Q689 HydrophobicContact CB-CB 4.41Å; L644-Q689 WeakPolarHBondContact O-CA 3.46Å; L682-Q689 PolarHBondContact O-NE2 2.95Å; L682-Q689 PolarHBondContact O-OE1 3.17Å; Y686-Q689 HydrophobicContact CD2-CB 4.49Å; Y686-Q689 VanDerWaalsContact O-CG 3.27Å; Y686-Q689 WeakPolarHBondContact O-CG 3.35Å; Y686-Q689 PolarHBondContact O-N 2.73Å; Y686-Q689 PolarHBondContact O-OE1 3.49Å
690	A	96.7	Very high	96.4	Very high	10 Å²	10	43.5 Å²	43.5	8%	0.083	25%	0.251	C	S	.	.	P	Polyproline II helix	trans	-69.7	158.7	162.8	0	0	0	0	0	111.9	L644 I648	L644-A690 HydrophobicContact CD2-CB 4.35Å; L644-A690 WeakPolarHBondContact CD2-O 3.41Å; L644-A690 PolarHBondContact O-N 3.35Å; I648-A690 WeakPolarHBondContact O-CB 3.08Å
691	P	96.2	Very high	96.5	Very high	58 Å²	58	43.6 Å²	43.6	38%	0.377	25%	0.25	S	S	.	.	P	Polyproline II helix	trans	-67.8	146.3	175.7	26.1	-33.1	0	0	0	111.6	F376 L644 H649 V650	F376-P691 HydrophobicContact CE1-CG 4.07Å; F376-P691 HydrophobicContact CZ-CB 4.16Å; F376-P691 HydrophobicContact CZ-CG 3.58Å; L644-P691 WeakPolarHBondContact CD2-O 3.3Å; H649-P691 PolarHBondContact CD2-O 2.88Å; V650-P691 PolarHBondContact N-O 2.81Å
692	F	98.2	Very high	96.6	Very high	5 Å²	5	45.1 Å²	45.1	2%	0.022	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	114.1	165.5	177.3	-121.3	0	0	0	109.5	Y640 L644 V650 V680 L682 N683 V694	Y640-F692 AromaticContact CD2-CE2 3.89Å; Y640-F692 HydrophobicContact CD2-CE2 3.89Å; Y640-F692 HydrophobicContact CD2-CZ 4.13Å; Y640-F692 HydrophobicContact CE2-CE2 4.38Å; Y640-F692 HydrophobicContact CG-CE2 4.39Å; L644-F692 HydrophobicContact CD1-CB 3.71Å; L644-F692 HydrophobicContact CD1-CD2 4.46Å; L644-F692 HydrophobicContact CD1-CG 4.24Å; L644-F692 HydrophobicContact CD2-CB 3.88Å; L644-F692 HydrophobicContact CG-CB 4.47Å; V650-F692 HydrophobicContact CB-CD2 3.89Å; V650-F692 HydrophobicContact CB-CE2 4.37Å; V650-F692 HydrophobicContact CG1-CD2 3.88Å; V650-F692 HydrophobicContact CG1-CE2 3.84Å; V680-F692 HydrophobicContact CG1-CD1 3.67Å; V680-F692 HydrophobicContact CG1-CE1 4.1Å; L682-F692 HydrophobicContact CB-CB 4.26Å; L682-F692 HydrophobicContact CB-CD1 3.6Å; L682-F692 HydrophobicContact CB-CE1 4.14Å; L682-F692 HydrophobicContact CB-CG 4.03Å; L682-F692 HydrophobicContact CD1-CD1 3.82Å; L682-F692 HydrophobicContact CD1-CD2 4.36Å; L682-F692 HydrophobicContact CD1-CE1 3.59Å; L682-F692 HydrophobicContact CD1-CE2 4.16Å; L682-F692 HydrophobicContact CD1-CG 4.19Å; L682-F692 HydrophobicContact CD1-CZ 3.76Å; L682-F692 HydrophobicContact CG-CD1 4.34Å; L682-F692 HydrophobicContact CG-CE1 4.42Å; N683-F692 PolarHBondContact ND2-O 3.4Å; N683-F692 WeakPolarHBondContact OD1-CA 3.45Å; N683-F692 WeakPolarHBondContact OD1-CB 3.26Å; N683-F692 PolarHBondContact OD1-N 3.07Å; N683-F692 PolarHBondContact OD1-O 3.21Å; F692-V694 HydrophobicContact CD1-CB 4.45Å; F692-V694 HydrophobicContact CD1-CG1 4.2Å; F692-V694 HydrophobicContact CE1-CB 3.69Å; F692-V694 HydrophobicContact CE1-CG1 3.61Å; F692-V694 HydrophobicContact CE2-CB 4.5Å; F692-V694 HydrophobicContact CZ-CB 3.74Å; F692-V694 HydrophobicContact CZ-CG1 4.19Å; F692-V694 HydrophobicContact CZ-CG2 4.42Å
693	T	97.7	Very high	96.7	Very high	31 Å²	31	45 Å²	45	19%	0.19	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	95.8	179.5	-54.7	0	0	0	0	109.5	H649 V650 R651 L652	H649-T693 WeakPolarHBondContact NE2-CB 3.27Å; H649-T693 PolarHBondContact NE2-OG1 2.83Å; V650-T693 PolarHBondContact O-N 3.49Å; R651-T693 CarbonylContact C-O 3.19Å; R651-T693 VanDerWaalsContact CA-O 3.24Å; R651-T693 WeakPolarHBondContact CA-O 3.4Å; R651-T693 HydrophobicContact CG-CG2 4.41Å; L652-T693 PolarHBondContact N-O 3.05Å
694	V	97.9	Very high	96.8	Very high	18 Å²	18	42.3 Å²	42.3	11%	0.109	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	130	168.3	61.4	0	0	0	0	109.1	L652 V657 E658 V668 V680 F692	L652-V694 HydrophobicContact CB-CG2 4.31Å; L652-V694 HydrophobicContact CD2-CG2 4.07Å; L652-V694 HydrophobicContact CG-CG2 4.28Å; L652-V694 WeakPolarHBondContact O-CA 3.38Å; V657-V694 HydrophobicContact CG2-CG2 4.01Å; E658-V694 HydrophobicContact CB-CG2 4.45Å; E658-V694 HydrophobicContact CG-CG1 4.34Å; E658-V694 HydrophobicContact CG-CG2 3.87Å; V668-V694 HydrophobicContact CG2-CG1 3.58Å; V680-V694 HydrophobicContact CG1-CG1 4.28Å; F692-V694 HydrophobicContact CD1-CB 4.45Å; F692-V694 HydrophobicContact CD1-CG1 4.2Å; F692-V694 HydrophobicContact CE1-CB 3.69Å; F692-V694 HydrophobicContact CE1-CG1 3.61Å; F692-V694 HydrophobicContact CE2-CB 4.5Å; F692-V694 HydrophobicContact CZ-CB 3.74Å; F692-V694 HydrophobicContact CZ-CG1 4.19Å; F692-V694 HydrophobicContact CZ-CG2 4.42Å
695	C	96.1	Very high	96.9	Very high	1 Å²	1	37.3 Å²	37.3	1%	0.007	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	128	-179.2	54.6	0	0	0	0	112.5	S414 L652 V657 S697	S414-C695 VanDerWaalsContact OG-CB 3.27Å; S414-C695 WeakPolarHBondContact OG-CB 3.43Å; L652-C695 PolarHBondContact O-N 2.6Å; V657-C695 VanDerWaalsContact CG2-O 3.25Å; V657-C695 WeakPolarHBondContact CG2-O 3.42Å; C695-S697 PolarHBondContact O-N 2.79Å
696	N	97.8	Very high	97	Very high	63 Å²	63	36.9 Å²	36.9	34%	0.337	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.9	128.9	166.3	-65.8	-33.9	0	0	0	110.3	G654 D656 V657 E658	G654-N696 CarbonylContact O-C 3.12Å; G654-N696 WeakPolarHBondContact O-CA 3.43Å; D656-N696 WeakPolarHBondContact CA-OD1 3.28Å; D656-N696 PolarHBondContact N-OD1 2.93Å; V657-N696 PolarHBondContact N-OD1 3.38Å; E658-N696 WeakPolarHBondContact CB-OD1 3.3Å; E658-N696 VanDerWaalsContact CD-CG 3.5Å; E658-N696 WeakPolarHBondContact CG-OD1 3.46Å; E658-N696 PolarHBondContact N-OD1 3.24Å; E658-N696 VanDerWaalsContact N-OD1 3.12Å; E658-N696 PolarHBondContact OE1-N 2.92Å; E658-N696 PolarHBondContact OE2-ND2 2.84Å
697	S	97.9	Very high	97.1	Very high	18 Å²	18	34.8 Å²	34.8	13%	0.126	21%	0.207	C	C	.	.	P	Polyproline II helix	trans	-82.4	165.9	175	75.8	0	0	0	0	112.1	Y415 G654 Q655 C695	Y415-S697 WeakPolarHBondContact OH-CA 3.01Å; Y415-S697 WeakPolarHBondContact OH-CB 3.49Å; G654-S697 PolarHBondContact O-N 3.5Å; G654-S697 PolarHBondContact O-OG 3.02Å; Q655-S697 PolarHBondContact N-OG 3.4Å; C695-S697 PolarHBondContact O-N 2.79Å
698	S	95.3	Very high	97.4	Very high	22 Å²	22	27.8 Å²	27.8	15%	0.154	16%	0.161	C	C	.	.	P	Polyproline II helix	trans	-62.4	166.8	158.4	54.8	0	0	0	0	110.7	L409 S700	L409-S698 WeakPolarHBondContact CD2-OG 3.26Å; S698-S700 PolarHBondContact O-N 3.07Å
699	L	97.5	Very high	97.7	Very high	150 Å²	150	23 Å²	23	79%	0.785	13%	0.127	S	C	*	.	S	Bend	trans	-74.2	64.9	173.7	-158.7	87.7	0	0	0	111.1	Q655	Q655-L699 HydrophobicContact CG-CD1 4.41Å
700	S	97.7	Very high	97.8	Very high	7 Å²	7	21.5 Å²	21.5	5%	0.049	12%	0.121	C	C	.	.			trans	-144.5	133.6	180	151.9	0	0	0	0	108.1	E405 S698 A703 V704	E405-S700 WeakPolarHBondContact OE2-CB 3.27Å; E405-S700 PolarHBondContact OE2-OG 3.49Å; S698-S700 PolarHBondContact O-N 3.07Å; S700-A703 PolarHBondContact OG-N 3.01Å; S700-V704 VanDerWaalsContact O-CB 3.3Å; S700-V704 WeakPolarHBondContact O-CB 3.37Å; S700-V704 WeakPolarHBondContact O-CG2 3.37Å
701	E	98.6	Very high	97.9	Very high	29 Å²	29	21.1 Å²	21.1	14%	0.136	12%	0.117	C	C	.	.	S	Bend	trans	-104	-37.2	171.2	-53.5	70.3	-149.1	0	0	111.7	Q655 M705 W722 T732 A733	Q655-E701 PolarHBondContact NE2-OE1 3.12Å; E701-M705 WeakPolarHBondContact O-CB 3.26Å; E701-M705 PolarHBondContact O-N 2.94Å; E701-W722 HydrophobicContact CB-CH2 4.34Å; E701-W722 HydrophobicContact CB-CZ2 3.75Å; E701-W722 HydrophobicContact CG-CH2 4.29Å; E701-W722 HydrophobicContact CG-CZ2 3.81Å; E701-T732 WeakPolarHBondContact CB-OG1 3.37Å; E701-T732 WeakPolarHBondContact CG-OG1 3.33Å; E701-T732 PolarHBondContact OE2-OG1 2.88Å; E701-A733 HydrophobicContact CB-CB 4.18Å
702	Y	98.6	Very high	97.9	Very high	34 Å²	34	18.6 Å²	18.6	13%	0.133	10%	0.101	C	C	.	.	H	α-helix	trans	-64.5	-56.6	-174.9	-167.3	176	0	0	0	111	A362 V402 G706 C735 I736	A362-Y702 HydrophobicContact CB-CE2 4.35Å; A362-Y702 WeakPolarHBondContact CB-OH 3.28Å; V402-Y702 HydrophobicContact CB-CD1 3.85Å; V402-Y702 HydrophobicContact CB-CE1 3.8Å; V402-Y702 HydrophobicContact CB-CG 4.24Å; V402-Y702 HydrophobicContact CG1-CE1 4.32Å; V402-Y702 HydrophobicContact CG2-CD1 4.05Å; V402-Y702 HydrophobicContact CG2-CD2 3.94Å; V402-Y702 HydrophobicContact CG2-CE1 4.2Å; V402-Y702 HydrophobicContact CG2-CE2 4.08Å; V402-Y702 HydrophobicContact CG2-CG 3.92Å; Y702-G706 PolarHBondContact O-N 2.88Å; Y702-G706 VanDerWaalsContact O-N 3.15Å; Y702-C735 HydrophobicContact CE2-CB 3.94Å; Y702-C735 VanDerWaalsContact OH-CB 3.31Å; Y702-C735 WeakPolarHBondContact OH-CB 3.38Å; Y702-C735 PolarHBondContact OH-SG 2.87Å; Y702-C735 VanDerWaalsContact OH-SG 3.32Å; Y702-I736 HydrophobicContact CD2-CD1 4.06Å; Y702-I736 HydrophobicContact CD2-CG1 3.6Å; Y702-I736 HydrophobicContact CE2-CD1 3.74Å; Y702-I736 HydrophobicContact CE2-CG1 3.67Å
703	A	98.6	Very high	97.8	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-67.6	-39.4	177.4	0	0	0	0	0	112.7	P365 V402 E405 L409 S700 G706 F707	P365-A703 HydrophobicContact CB-CB 4.17Å; P365-A703 WeakPolarHBondContact CB-O 3.34Å; V402-A703 HydrophobicContact CG2-CB 4.39Å; E405-A703 HydrophobicContact CB-CB 3.48Å; E405-A703 VanDerWaalsContact CB-CB 3.48Å; E405-A703 PolarHBondContact OE2-N 2.81Å; L409-A703 HydrophobicContact CD1-CB 3.92Å; S700-A703 PolarHBondContact OG-N 3.01Å; A703-G706 PolarHBondContact O-N 3.44Å; A703-F707 VanDerWaalsContact O-CB 3.31Å; A703-F707 WeakPolarHBondContact O-CB 3.28Å; A703-F707 PolarHBondContact O-N 3Å
704	V	98.7	Very high	97.6	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-67.7	-45.6	-178	179.1	0	0	0	0	111.5	L409 Y415 S700 G706 F707 E708	L409-V704 HydrophobicContact CD2-CG2 4.19Å; Y415-V704 HydrophobicContact CE1-CG1 4.17Å; S700-V704 VanDerWaalsContact O-CB 3.3Å; S700-V704 WeakPolarHBondContact O-CB 3.37Å; S700-V704 WeakPolarHBondContact O-CG2 3.37Å; V704-G706 VanDerWaalsContact C-N 3.34Å; V704-G706 PolarHBondContact O-N 2.93Å; V704-F707 WeakPolarHBondContact O-CB 3.32Å; V704-F707 PolarHBondContact O-N 3.31Å; V704-F707 VanDerWaalsContact O-N 3.16Å; V704-E708 HydrophobicContact CG1-CG 4.48Å; V704-E708 WeakPolarHBondContact O-CG 3.43Å; V704-E708 PolarHBondContact O-N 2.87Å
705	M	98.8	Very high	97.3	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-63.6	-41	176.4	-173.6	-172.2	-68.9	0	0	111.3	E701 F707 E708 L709 W722 A733 I736 I737 I741 L756	E701-M705 WeakPolarHBondContact O-CB 3.26Å; E701-M705 PolarHBondContact O-N 2.94Å; M705-F707 VanDerWaalsContact C-N 3.29Å; M705-F707 PolarHBondContact O-N 3.12Å; M705-E708 PolarHBondContact O-N 2.82Å; M705-L709 WeakPolarHBondContact O-CB 3.46Å; M705-L709 PolarHBondContact O-N 2.89Å; M705-W722 HydrophobicContact CB-CD2 4.37Å; M705-W722 HydrophobicContact CB-CG 4.47Å; M705-W722 HydrophobicContact CE-CD2 4Å; M705-W722 HydrophobicContact CE-CE3 3.57Å; M705-W722 HydrophobicContact CE-CH2 3.56Å; M705-W722 HydrophobicContact CE-CZ2 4.02Å; M705-W722 HydrophobicContact CE-CZ3 3.32Å; M705-W722 HydrophobicContact CG-CD2 4.44Å; M705-A733 HydrophobicContact CB-CB 4.03Å; M705-A733 HydrophobicContact CE-CB 3.56Å; M705-A733 HydrophobicContact CG-CB 4.46Å; M705-A733 HydrophobicContact SD-CB 3.61Å; M705-I736 HydrophobicContact CG-CB 4.45Å; M705-I736 HydrophobicContact CG-CG2 3.93Å; M705-I736 HydrophobicContact SD-CB 4.07Å; M705-I736 HydrophobicContact SD-CG2 3.97Å; M705-I737 HydrophobicContact CE-CD1 4.2Å; M705-I737 HydrophobicContact CE-CG1 4.24Å; M705-I737 HydrophobicContact SD-CD1 4.3Å; M705-I737 HydrophobicContact SD-CG1 3.69Å; M705-I741 HydrophobicContact CG-CD1 4.22Å; M705-I741 HydrophobicContact SD-CD1 3.81Å; M705-L756 HydrophobicContact CE-CD1 4.1Å; M705-L756 HydrophobicContact CE-CD2 4.39Å; M705-L756 HydrophobicContact CG-CD2 4.36Å; M705-L756 HydrophobicContact SD-CD1 4.27Å; M705-L756 HydrophobicContact SD-CD2 4.48Å
706	G	98.6	Very high	97.3	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-59.4	-40.6	173.1	0	0	0	0	0	112.2	V366 Y702 A703 V704 L709 G710	V366-G706 VanDerWaalsContact CA-O 3.26Å; V366-G706 WeakPolarHBondContact CA-O 2.95Å; Y702-G706 PolarHBondContact O-N 2.88Å; Y702-G706 VanDerWaalsContact O-N 3.15Å; A703-G706 PolarHBondContact O-N 3.44Å; V704-G706 VanDerWaalsContact C-N 3.34Å; V704-G706 PolarHBondContact O-N 2.93Å; G706-L709 WeakPolarHBondContact O-CB 3.3Å; G706-L709 PolarHBondContact O-N 2.94Å; G706-G710 PolarHBondContact O-N 3.04Å
707	F	98.8	Very high	97.1	Very high	1 Å²	1	22.3 Å²	22.3	0%	0.004	12%	0.118	C	C	.	.	H	α-helix	trans	-63.8	-49.6	176.2	-169.7	-78.6	0	0	0	111.8	P365 Q368 G369 K372 L409 Y415 A703 V704 M705 L709 G710 Y711	P365-F707 WeakPolarHBondContact O-CA 2.78Å; Q368-F707 HydrophobicContact CB-CD2 3.83Å; Q368-F707 HydrophobicContact CB-CE2 3.92Å; G369-F707 WeakPolarHBondContact CA-O 3.36Å; K372-F707 HydrophobicContact CB-CE1 3.98Å; K372-F707 HydrophobicContact CB-CE2 4.22Å; K372-F707 HydrophobicContact CB-CZ 3.39Å; K372-F707 HydrophobicContact CG-CE1 4.04Å; K372-F707 HydrophobicContact CG-CZ 3.63Å; L409-F707 HydrophobicContact CD1-CD2 4.27Å; Y415-F707 AromaticContact CD1-CD1 3.76Å; Y415-F707 HydrophobicContact CD1-CD1 3.76Å; Y415-F707 HydrophobicContact CD1-CD2 4.19Å; Y415-F707 AromaticContact CD1-CE1 3.78Å; Y415-F707 HydrophobicContact CD1-CE1 3.78Å; Y415-F707 HydrophobicContact CD1-CE2 4.2Å; Y415-F707 AromaticContact CD1-CG 3.97Å; Y415-F707 HydrophobicContact CD1-CG 3.97Å; Y415-F707 AromaticContact CD1-CZ 3.98Å; Y415-F707 HydrophobicContact CD1-CZ 3.98Å; Y415-F707 HydrophobicContact CE1-CD1 4.17Å; Y415-F707 HydrophobicContact CE1-CE1 4.42Å; Y415-F707 VanDerWaalsContact O-CE2 3.3Å; Y415-F707 WeakPolarHBondContact O-CE2 3.38Å; Y415-F707 WeakPolarHBondContact O-CZ 3.49Å; A703-F707 VanDerWaalsContact O-CB 3.31Å; A703-F707 WeakPolarHBondContact O-CB 3.28Å; A703-F707 PolarHBondContact O-N 3Å; V704-F707 WeakPolarHBondContact O-CB 3.32Å; V704-F707 PolarHBondContact O-N 3.31Å; V704-F707 VanDerWaalsContact O-N 3.16Å; M705-F707 VanDerWaalsContact C-N 3.29Å; M705-F707 PolarHBondContact O-N 3.12Å; F707-L709 VanDerWaalsContact C-N 3.28Å; F707-L709 PolarHBondContact O-N 3.41Å; F707-G710 PolarHBondContact O-N 3.39Å; F707-G710 VanDerWaalsContact O-N 3.16Å; F707-Y711 HydrophobicContact CE1-CD2 4.29Å; F707-Y711 PolarHBondContact O-N 2.93Å
708	E	98.7	Very high	97	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-65.1	-34.3	178.8	-60.3	-47.9	143.3	0	0	112.1	Y415 R651 S653 V704 M705 Y711 S712 V720 W722 I754	Y415-E708 WeakPolarHBondContact CE1-OE1 3.49Å; R651-E708 WeakPolarHBondContact CD-OE2 3.1Å; R651-E708 IonicContact CZ-OE1 2.99Å; R651-E708 IonicContact CZ-OE2 2.79Å; R651-E708 IonicContact NE-OE1 3.61Å; R651-E708 IonicContact NE-OE2 3.33Å; R651-E708 PolarHBondContact NE-OE2 3.38Å; R651-E708 IonicContact NH2-OE1 2.73Å; R651-E708 PolarHBondContact NH2-OE1 2.93Å; R651-E708 IonicContact NH2-OE2 3.32Å; S653-E708 WeakPolarHBondContact CB-OE1 3.39Å; S653-E708 VanDerWaalsContact OG-CD 3.24Å; S653-E708 PolarHBondContact OG-OE1 3.25Å; V704-E708 HydrophobicContact CG1-CG 4.48Å; V704-E708 WeakPolarHBondContact O-CG 3.43Å; V704-E708 PolarHBondContact O-N 2.87Å; M705-E708 PolarHBondContact O-N 2.82Å; E708-Y711 WeakPolarHBondContact O-CB 3.42Å; E708-Y711 PolarHBondContact O-N 3.32Å; E708-S712 PolarHBondContact O-N 2.91Å; E708-V720 HydrophobicContact CB-CG1 4.12Å; E708-V720 WeakPolarHBondContact O-CG1 3.48Å; E708-W722 HydrophobicContact CB-CB 4.32Å; E708-W722 HydrophobicContact CG-CB 4.32Å; E708-I754 HydrophobicContact CB-CD1 4.28Å
709	L	98.3	Very high	97.2	Very high	4 Å²	4	20.6 Å²	20.6	2%	0.021	11%	0.106	C	C	.	.	H	α-helix	trans	-58.6	-54.2	170.1	170.7	66.9	0	0	0	110.3	V366 M705 G706 F707 Y711 S712 L713 I736 F740 I741 I754	V366-L709 HydrophobicContact CG2-CD2 4.04Å; M705-L709 WeakPolarHBondContact O-CB 3.46Å; M705-L709 PolarHBondContact O-N 2.89Å; G706-L709 WeakPolarHBondContact O-CB 3.3Å; G706-L709 PolarHBondContact O-N 2.94Å; F707-L709 VanDerWaalsContact C-N 3.28Å; F707-L709 PolarHBondContact O-N 3.41Å; L709-Y711 PolarHBondContact O-N 3.46Å; L709-S712 WeakPolarHBondContact O-CB 3.4Å; L709-S712 PolarHBondContact O-N 3.05Å; L709-S712 PolarHBondContact O-OG 3.23Å; L709-L713 HydrophobicContact CD1-CD2 4.2Å; L709-L713 HydrophobicContact CD1-CG 4.45Å; L709-L713 WeakPolarHBondContact O-CG 3.31Å; L709-L713 PolarHBondContact O-N 3.45Å; L709-L713 VanDerWaalsContact O-N 3.1Å; L709-I736 HydrophobicContact CD2-CG2 3.95Å; L709-F740 HydrophobicContact CD2-CB 3.28Å; L709-F740 HydrophobicContact CD2-CD1 3.98Å; L709-F740 HydrophobicContact CD2-CG 3.75Å; L709-I741 HydrophobicContact CD1-CG1 4.38Å; L709-I741 HydrophobicContact CD2-CG1 4.48Å; L709-I754 HydrophobicContact CB-CD1 4.1Å; L709-I754 HydrophobicContact CD1-CG2 4.43Å
710	G	97.8	Very high	97.3	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-54	-40.4	177	0	0	0	0	0	113.3	V366 K370 G706 F707 L713 T714	V366-G710 VanDerWaalsContact O-CA 3.25Å; V366-G710 WeakPolarHBondContact O-CA 3.46Å; K370-G710 WeakPolarHBondContact CA-O 3.27Å; K370-G710 PolarHBondContact N-O 3.22Å; G706-G710 PolarHBondContact O-N 3.04Å; F707-G710 PolarHBondContact O-N 3.39Å; F707-G710 VanDerWaalsContact O-N 3.16Å; G710-L713 PolarHBondContact O-N 2.64Å; G710-T714 PolarHBondContact O-OG1 3.47Å
711	Y	97.6	Very high	97.3	Very high	3 Å²	3	13.2 Å²	13.2	1%	0.012	7%	0.066	C	C	.	.	H	α-helix	trans	-61.1	-47.9	175.6	-157.3	-68.8	0	0	0	111.1	G369 K372 A373 F376 Y377 H649 F707 E708 L709 L713 T714 V720	G369-Y711 WeakPolarHBondContact O-CA 3.27Å; K372-Y711 HydrophobicContact CB-CD2 4.4Å; K372-Y711 HydrophobicContact CB-CE2 4.48Å; K372-Y711 HydrophobicContact CG-CD2 4.27Å; K372-Y711 HydrophobicContact CG-CE2 3.97Å; A373-Y711 HydrophobicContact CB-CD1 3.76Å; A373-Y711 HydrophobicContact CB-CD2 3.76Å; A373-Y711 HydrophobicContact CB-CE1 3.85Å; A373-Y711 HydrophobicContact CB-CE2 3.88Å; A373-Y711 HydrophobicContact CB-CG 3.7Å; F376-Y711 WeakPolarHBondContact CB-OH 3.45Å; F376-Y711 WeakPolarHBondContact CD1-OH 3.23Å; F376-Y711 VanDerWaalsContact CG-OH 3.26Å; F376-Y711 WeakPolarHBondContact CG-OH 3.41Å; Y377-Y711 AromaticContact CE2-CE1 3.98Å; Y377-Y711 HydrophobicContact CE2-CE1 3.98Å; H649-Y711 PolarHBondContact CE1-OH 3.1Å; F707-Y711 HydrophobicContact CE1-CD2 4.29Å; F707-Y711 PolarHBondContact O-N 2.93Å; E708-Y711 WeakPolarHBondContact O-CB 3.42Å; E708-Y711 PolarHBondContact O-N 3.32Å; L709-Y711 PolarHBondContact O-N 3.46Å; Y711-L713 PolarHBondContact O-N 2.83Å; Y711-T714 PolarHBondContact O-N 2.8Å; Y711-V720 HydrophobicContact CD1-CG2 3.8Å; Y711-V720 HydrophobicContact CE1-CG2 4.49Å
712	S	96.9	Very high	97.3	Very high	4 Å²	4	12 Å²	12	3%	0.028	6%	0.061	C	C	.	.	H	α-helix	trans	-61.3	-26.2	178	82.3	0	0	0	0	113.6	E708 L709 T714 S752	E708-S712 PolarHBondContact O-N 2.91Å; L709-S712 WeakPolarHBondContact O-CB 3.4Å; L709-S712 PolarHBondContact O-N 3.05Å; L709-S712 PolarHBondContact O-OG 3.23Å; S712-T714 VanDerWaalsContact C-N 3.27Å; S712-T714 PolarHBondContact O-N 2.86Å; S712-S752 PolarHBondContact OG-OG 3.47Å
713	L	95.4	Very high	97.3	Very high	10 Å²	10	10.9 Å²	10.9	5%	0.052	6%	0.056	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-14	177.8	-58.9	-172.3	0	0	0	112.3	V366 S570 W572 L709 G710 Y711 R750	V366-L713 HydrophobicContact CG1-CD1 4.23Å; S570-L713 VanDerWaalsContact CB-O 3.31Å; S570-L713 WeakPolarHBondContact CB-O 3.44Å; S570-L713 PolarHBondContact OG-O 3.17Å; W572-L713 PolarHBondContact NE1-O 2.92Å; W572-L713 VanDerWaalsContact NE1-O 3.09Å; L709-L713 HydrophobicContact CD1-CD2 4.2Å; L709-L713 HydrophobicContact CD1-CG 4.45Å; L709-L713 WeakPolarHBondContact O-CG 3.31Å; L709-L713 PolarHBondContact O-N 3.45Å; L709-L713 VanDerWaalsContact O-N 3.1Å; G710-L713 PolarHBondContact O-N 2.64Å; Y711-L713 PolarHBondContact O-N 2.83Å; L713-R750 HydrophobicContact CD1-CG 4.18Å; L713-R750 HydrophobicContact CD2-CG 3.79Å; L713-R750 PolarHBondContact O-NH2 3.09Å
714	T	93.9	Very high	97.3	Very high	32 Å²	32	11 Å²	11	20%	0.196	6%	0.057	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88	-48.9	-174.4	-56.7	0	0	0	0	112	K370 A373 E374 W572 G710 Y711 S712	K370-T714 WeakPolarHBondContact CA-OG1 3.43Å; K370-T714 PolarHBondContact O-OG1 3.02Å; A373-T714 VanDerWaalsContact CB-CB 3.46Å; A373-T714 HydrophobicContact CB-CG2 3.85Å; A373-T714 WeakPolarHBondContact CB-OG1 3.49Å; E374-T714 HydrophobicContact CB-CG2 4.21Å; W572-T714 PolarHBondContact NE1-O 3.22Å; G710-T714 PolarHBondContact O-OG1 3.47Å; Y711-T714 PolarHBondContact O-N 2.8Å; S712-T714 VanDerWaalsContact C-N 3.27Å; S712-T714 PolarHBondContact O-N 2.86Å
715	N	92.9	Very high	97.3	Very high	33 Å²	33	13.4 Å²	13.4	18%	0.176	7%	0.069	C	C	.	.			trans	-119.1	113.9	-179.6	-173	-10.1	0	0	0	110.4	Y377 E717 A718	Y377-N715 WeakPolarHBondContact CD1-ND2 3.36Å; Y377-N715 HydrophobicContact CD2-CB 3.83Å; Y377-N715 HydrophobicContact CE1-CB 4.2Å; Y377-N715 WeakPolarHBondContact CE1-ND2 3.47Å; Y377-N715 HydrophobicContact CE2-CB 3.31Å; N715-E717 PolarHBondContact O-N 2.61Å; N715-E717 WeakPolarHBondContact OD1-CA 3.37Å; N715-E717 WeakPolarHBondContact OD1-CB 3.44Å; N715-E717 PolarHBondContact OD1-N 3.22Å; N715-A718 HydrophobicContact CB-CB 4.37Å
716	P	94.1	Very high	97.3	Very high	14 Å²	14	14.1 Å²	14.1	9%	0.091	7%	0.072	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-18.2	176.5	28.3	-30.4	0	0	0	112.8	W572 F575 A718 R829	W572-P716 HydrophobicContact CB-CG 4.22Å; W572-P716 HydrophobicContact CD2-CB 3.59Å; W572-P716 HydrophobicContact CD2-CG 3.62Å; W572-P716 HydrophobicContact CE3-CB 3.57Å; W572-P716 HydrophobicContact CE3-CG 4.01Å; W572-P716 HydrophobicContact CG-CB 4.27Å; W572-P716 HydrophobicContact CG-CG 3.75Å; W572-P716 HydrophobicContact CH2-CB 3.77Å; W572-P716 HydrophobicContact CZ2-CB 3.76Å; W572-P716 HydrophobicContact CZ2-CG 4.44Å; W572-P716 HydrophobicContact CZ3-CB 3.67Å; F575-P716 HydrophobicContact CB-CG 3.77Å; F575-P716 HydrophobicContact CD1-CB 4.09Å; F575-P716 HydrophobicContact CD1-CG 4.24Å; F575-P716 HydrophobicContact CD2-CB 3.57Å; F575-P716 HydrophobicContact CD2-CG 3.38Å; F575-P716 HydrophobicContact CE1-CB 4.21Å; F575-P716 HydrophobicContact CE2-CB 3.69Å; F575-P716 HydrophobicContact CE2-CG 4.04Å; F575-P716 HydrophobicContact CG-CB 3.78Å; F575-P716 HydrophobicContact CG-CG 3.5Å; F575-P716 HydrophobicContact CZ-CB 4.04Å; P716-A718 PolarHBondContact O-N 3.23Å; P716-R829 HydrophobicContact CB-CG 4.35Å; P716-R829 PolarHBondContact O-NE 3.09Å; P716-R829 PolarHBondContact O-NH2 3.4Å
717	E	94.5	Very high	97.3	Very high	108 Å²	108	14.1 Å²	14.1	51%	0.505	7%	0.072	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.9	18.2	-176.3	-55.2	-176.7	148.7	0	0	112.6	F575 N715	F575-E717 HydrophobicContact CD2-CG 4.12Å; F575-E717 HydrophobicContact CE2-CG 4.34Å; N715-E717 PolarHBondContact O-N 2.61Å; N715-E717 WeakPolarHBondContact OD1-CA 3.37Å; N715-E717 WeakPolarHBondContact OD1-CB 3.44Å; N715-E717 PolarHBondContact OD1-N 3.22Å
718	A	96.8	Very high	97.3	Very high	4 Å²	4	14.3 Å²	14.3	3%	0.033	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	138.7	179.1	0	0	0	0	0	112.1	Y377 H649 N715 P716 V720 I824	Y377-A718 WeakPolarHBondContact OH-CB 3.3Å; H649-A718 HydrophobicContact CB-CB 4.2Å; H649-A718 CarbonylContact O-C 3.46Å; H649-A718 VanDerWaalsContact O-CA 3.31Å; H649-A718 WeakPolarHBondContact O-CA 3.21Å; N715-A718 HydrophobicContact CB-CB 4.37Å; P716-A718 PolarHBondContact O-N 3.23Å; A718-V720 HydrophobicContact CB-CG2 4.32Å; A718-V720 PolarHBondContact O-N 2.91Å; A718-I824 WeakPolarHBondContact O-CD1 3.44Å
719	L	98.4	Very high	97.3	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	103.5	170.2	-175.6	61.3	0	0	0	109.3	Y640 L643 H649 V650 R651 I721 V755 Q823 I824	Y640-L719 HydrophobicContact CD1-CD2 4.21Å; Y640-L719 HydrophobicContact CE1-CD2 4.21Å; L643-L719 HydrophobicContact CD1-CD2 3.62Å; H649-L719 PolarHBondContact O-N 2.69Å; V650-L719 WeakPolarHBondContact CA-O 3.41Å; V650-L719 HydrophobicContact CB-CB 4.5Å; V650-L719 HydrophobicContact CG1-CB 4.43Å; V650-L719 HydrophobicContact CG1-CD2 4.15Å; V650-L719 HydrophobicContact CG1-CG 4.47Å; V650-L719 HydrophobicContact CG2-CB 4.12Å; V650-L719 HydrophobicContact CG2-CD2 4.23Å; R651-L719 PolarHBondContact N-O 2.93Å; L719-I721 HydrophobicContact CD1-CG1 4.27Å; L719-I721 HydrophobicContact CD2-CD1 3.89Å; L719-I721 HydrophobicContact CD2-CG1 4.41Å; L719-I721 HydrophobicContact CG-CD1 3.91Å; L719-I721 HydrophobicContact CG-CG1 3.86Å; L719-V755 HydrophobicContact CD1-CG2 3.66Å; L719-Q823 HydrophobicContact CD1-CB 4.47Å; L719-Q823 HydrophobicContact CD1-CG 4.1Å; L719-I824 HydrophobicContact CB-CD1 3.9Å; L719-I824 HydrophobicContact CB-CG1 3.81Å; L719-I824 HydrophobicContact CD1-CD1 3.85Å; L719-I824 HydrophobicContact CD1-CG1 3.9Å; L719-I824 HydrophobicContact CG-CD1 4.48Å; L719-I824 HydrophobicContact CG-CG1 4.35Å
720	V	98.6	Very high	97.3	Very high	1 Å²	1	16.4 Å²	16.4	1%	0.006	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	119	179.2	-175.9	0	0	0	0	109.4	E708 Y711 A718 V755	E708-V720 HydrophobicContact CB-CG1 4.12Å; E708-V720 WeakPolarHBondContact O-CG1 3.48Å; Y711-V720 HydrophobicContact CD1-CG2 3.8Å; Y711-V720 HydrophobicContact CE1-CG2 4.49Å; A718-V720 HydrophobicContact CB-CG2 4.32Å; A718-V720 PolarHBondContact O-N 2.91Å; V720-V755 PolarHBondContact O-N 2.76Å
721	I	98.9	Very high	97.3	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	128.9	-171.5	-49.3	175.1	0	0	0	109.4	Y640 V650 R651 L652 S653 L719 V755 L757	Y640-I721 HydrophobicContact CD1-CD1 4.47Å; Y640-I721 HydrophobicContact CE1-CD1 3.43Å; Y640-I721 VanDerWaalsContact CE1-CD1 3.43Å; Y640-I721 WeakPolarHBondContact OH-CD1 3Å; V650-I721 HydrophobicContact CG1-CD1 4.41Å; R651-I721 PolarHBondContact O-N 2.96Å; L652-I721 HydrophobicContact CD1-CB 3.87Å; L652-I721 HydrophobicContact CD1-CG2 3.64Å; S653-I721 PolarHBondContact N-O 2.95Å; L719-I721 HydrophobicContact CD1-CG1 4.27Å; L719-I721 HydrophobicContact CD2-CD1 3.89Å; L719-I721 HydrophobicContact CD2-CG1 4.41Å; L719-I721 HydrophobicContact CG-CD1 3.91Å; L719-I721 HydrophobicContact CG-CG1 3.86Å; I721-V755 WeakPolarHBondContact CA-O 3.31Å; I721-V755 HydrophobicContact CB-CB 4.44Å; I721-V755 HydrophobicContact CG1-CB 4.14Å; I721-V755 HydrophobicContact CG1-CG2 4.48Å; I721-V755 HydrophobicContact CG2-CB 4.27Å; I721-V755 HydrophobicContact CG2-CG1 4.37Å; I721-L757 HydrophobicContact CG2-CD1 3.58Å; I721-L757 HydrophobicContact CG2-CD2 4.43Å; I721-L757 HydrophobicContact CG2-CG 3.59Å
722	W	98.8	Very high	97.3	Very high	5 Å²	5	22.5 Å²	22.5	2%	0.019	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	126.3	165.2	-179.4	83.9	0	0	0	109.7	S653 E701 M705 E708 A724 V755 L756 L757 L758	S653-W722 VanDerWaalsContact O-CA 3.3Å; S653-W722 WeakPolarHBondContact O-CA 3.13Å; E701-W722 HydrophobicContact CB-CH2 4.34Å; E701-W722 HydrophobicContact CB-CZ2 3.75Å; E701-W722 HydrophobicContact CG-CH2 4.29Å; E701-W722 HydrophobicContact CG-CZ2 3.81Å; M705-W722 HydrophobicContact CB-CD2 4.37Å; M705-W722 HydrophobicContact CB-CG 4.47Å; M705-W722 HydrophobicContact CE-CD2 4Å; M705-W722 HydrophobicContact CE-CE3 3.57Å; M705-W722 HydrophobicContact CE-CH2 3.56Å; M705-W722 HydrophobicContact CE-CZ2 4.02Å; M705-W722 HydrophobicContact CE-CZ3 3.32Å; M705-W722 HydrophobicContact CG-CD2 4.44Å; E708-W722 HydrophobicContact CB-CB 4.32Å; E708-W722 HydrophobicContact CG-CB 4.32Å; W722-A724 HydrophobicContact CH2-CB 3.53Å; W722-A724 HydrophobicContact CZ2-CB 4.38Å; W722-A724 HydrophobicContact CZ3-CB 3.65Å; W722-V755 PolarHBondContact N-O 3.48Å; W722-L756 HydrophobicContact CB-CD2 4.07Å; W722-L756 HydrophobicContact CE3-CD2 3.98Å; W722-L756 WeakPolarHBondContact O-CA 3.35Å; W722-L757 PolarHBondContact O-N 3.3Å; W722-L758 HydrophobicContact CZ3-CD2 3.79Å
723	E	98.9	Very high	97.4	Very high	9 Å²	9	22.3 Å²	22.3	4%	0.042	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	125	177.3	-179.7	171.7	-111.3	0	0	110.9	L652 S653 V657 R665 L757	L652-E723 HydrophobicContact CD1-CB 4.23Å; S653-E723 PolarHBondContact O-N 3.42Å; V657-E723 HydrophobicContact CG1-CB 3.85Å; V657-E723 HydrophobicContact CG1-CG 4.37Å; R665-E723 IonicContact CZ-OE1 3.75Å; R665-E723 IonicContact CZ-OE2 3.62Å; R665-E723 VanDerWaalsContact CZ-OE2 3.28Å; R665-E723 IonicContact NH1-OE1 3.79Å; R665-E723 IonicContact NH1-OE2 3.72Å; R665-E723 PolarHBondContact NH1-OE2 2.96Å; R665-E723 VanDerWaalsContact NH2-CD 3.31Å; R665-E723 IonicContact NH2-OE1 2.91Å; R665-E723 PolarHBondContact NH2-OE1 3.34Å; R665-E723 IonicContact NH2-OE2 2.75Å; R665-E723 PolarHBondContact NH2-OE2 3.41Å; R665-E723 VanDerWaalsContact NH2-OE2 3.07Å; E723-L757 HydrophobicContact CB-CB 3.99Å; E723-L757 HydrophobicContact CB-CD1 4.45Å; E723-L757 HydrophobicContact CG-CB 3.95Å
724	A	98.6	Very high	97.5	Very high	2 Å²	2	23.4 Å²	23.4	2%	0.017	12%	0.121	C	C	.	.			trans	-75.8	145.6	170.7	0	0	0	0	0	110.2	W722 F726 L757 L758 P759	W722-A724 HydrophobicContact CH2-CB 3.53Å; W722-A724 HydrophobicContact CZ2-CB 4.38Å; W722-A724 HydrophobicContact CZ3-CB 3.65Å; A724-F726 VanDerWaalsContact CB-O 3.25Å; A724-F726 WeakPolarHBondContact CB-O 3.34Å; A724-F726 PolarHBondContact O-N 3.34Å; A724-L757 PolarHBondContact N-O 2.87Å; A724-L758 HydrophobicContact CB-CD2 3.99Å; A724-P759 VanDerWaalsContact O-CD 3.25Å; A724-P759 WeakPolarHBondContact O-CD 3.23Å; A724-P759 WeakPolarHBondContact O-CG 3.48Å
725	Q	98.2	Very high	97.7	Very high	51 Å²	51	22.8 Å²	22.8	24%	0.238	12%	0.118	C	C	.	.	S	Bend	trans	-61	-47.6	176.3	-169.3	-178.2	69.9	0	0	111.3	Q655 D656 T661 F729	Q655-Q725 HydrophobicContact CB-CB 4.33Å; D656-Q725 PolarHBondContact OD2-NE2 2.89Å; T661-Q725 HydrophobicContact CG2-CG 3.56Å; T661-Q725 PolarHBondContact OG1-O 3.17Å; Q725-F729 HydrophobicContact CB-CD2 4.12Å; Q725-F729 HydrophobicContact CB-CE2 4.18Å
726	F	98.4	Very high	98	Very high	15 Å²	15	21.2 Å²	21.2	7%	0.066	11%	0.109	C	C	.	.	S	Bend	trans	-127.5	147.1	159.4	-79.1	-104	0	0	0	107.7	T661 F662 A724 D728 F729 M765 H769 K838	T661-F726 HydrophobicContact CG2-CE2 4.05Å; F662-F726 AromaticContact CE1-CE1 3.95Å; F662-F726 HydrophobicContact CE1-CE1 3.95Å; F662-F726 HydrophobicContact CE1-CE2 4.23Å; F662-F726 AromaticContact CE1-CZ 3.61Å; F662-F726 HydrophobicContact CE1-CZ 3.61Å; F662-F726 HydrophobicContact CZ-CD1 4.43Å; F662-F726 AromaticContact CZ-CE1 4Å; F662-F726 HydrophobicContact CZ-CE1 4Å; F662-F726 HydrophobicContact CZ-CE2 4.28Å; F662-F726 AromaticContact CZ-CZ 3.91Å; F662-F726 HydrophobicContact CZ-CZ 3.91Å; A724-F726 VanDerWaalsContact CB-O 3.25Å; A724-F726 WeakPolarHBondContact CB-O 3.34Å; A724-F726 PolarHBondContact O-N 3.34Å; F726-D728 PolarHBondContact O-N 2.7Å; F726-D728 VanDerWaalsContact O-N 3.09Å; F726-F729 HydrophobicContact CB-CD2 4.12Å; F726-F729 HydrophobicContact CB-CE2 3.81Å; F726-F729 HydrophobicContact CB-CZ 4.21Å; F726-F729 HydrophobicContact CD2-CE2 4.11Å; F726-F729 HydrophobicContact CG-CE2 4.4Å; F726-F729 PolarHBondContact O-N 3.38Å; F726-F729 VanDerWaalsContact O-N 3.16Å; F726-M765 HydrophobicContact CE1-CE 3.91Å; F726-M765 HydrophobicContact CE1-SD 4.13Å; F726-M765 HydrophobicContact CZ-CE 3.75Å; F726-M765 HydrophobicContact CZ-SD 4.49Å; F726-H769 HydrophobicContact CD1-CB 3.81Å; F726-H769 AromaticContact CD1-CD2 3.8Å; F726-H769 AromaticContact CD2-CD2 3.62Å; F726-H769 HydrophobicContact CE1-CB 3.79Å; F726-H769 AromaticContact CE1-CD2 3.77Å; F726-H769 AromaticContact CE2-CD2 3.62Å; F726-H769 HydrophobicContact CG-CB 4.49Å; F726-H769 AromaticContact CG-CD2 3.72Å; F726-H769 HydrophobicContact CZ-CB 4.48Å; F726-H769 AromaticContact CZ-CD2 3.68Å; F726-K838 HydrophobicContact CD1-CD 3.86Å; F726-K838 HydrophobicContact CE1-CD 3.58Å
727	G	98.4	Very high	98.2	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	11%	0.105	C	C	.	.	G	3₁₀ helix	trans	-57.9	-27.8	-179	0	0	0	0	0	112.4	F729 N730 P759	G727-F729 PolarHBondContact O-N 2.91Å; G727-N730 PolarHBondContact O-N 3.42Å; G727-N730 PolarHBondContact O-ND2 2.9Å; G727-P759 WeakPolarHBondContact CA-O 3.44Å; G727-P759 PolarHBondContact N-O 2.88Å
728	D	98.5	Very high	98.4	Very high	5 Å²	5	17.8 Å²	17.8	3%	0.027	9%	0.093	C	C	.	.	G	3₁₀ helix	trans	-52.6	-34.7	177.9	-52.7	-110.8	0	0	0	113.2	F726 N730 N731 E768 H769 S770 S771	F726-D728 PolarHBondContact O-N 2.7Å; F726-D728 VanDerWaalsContact O-N 3.09Å; D728-N730 VanDerWaalsContact C-N 3.3Å; D728-N730 PolarHBondContact O-N 3.19Å; D728-N731 PolarHBondContact O-OD1 2.66Å; D728-E768 WeakPolarHBondContact CB-O 3.23Å; D728-E768 VanDerWaalsContact OD1-C 3.31Å; D728-H769 PolarHBondContact OD1-N 3.02Å; D728-H769 WeakPolarHBondContact OD2-CA 3.32Å; D728-S770 PolarHBondContact OD1-N 2.81Å; D728-S770 PolarHBondContact OD2-N 3.05Å; D728-S770 VanDerWaalsContact OD2-N 3.14Å; D728-S771 WeakPolarHBondContact CA-O 3.08Å; D728-S771 PolarHBondContact OD1-N 2.79Å; D728-S771 PolarHBondContact OD2-N 2.99Å
729	F	98.5	Very high	98.4	Very high	48 Å²	48	19.8 Å²	19.8	21%	0.211	10%	0.102	C	C	.	.	G	3₁₀ helix	trans	-79.3	-3.9	-174.7	-50.2	-38	0	0	0	114.4	Q725 F726 G727 N731 T732	Q725-F729 HydrophobicContact CB-CD2 4.12Å; Q725-F729 HydrophobicContact CB-CE2 4.18Å; F726-F729 HydrophobicContact CB-CD2 4.12Å; F726-F729 HydrophobicContact CB-CE2 3.81Å; F726-F729 HydrophobicContact CB-CZ 4.21Å; F726-F729 HydrophobicContact CD2-CE2 4.11Å; F726-F729 HydrophobicContact CG-CE2 4.4Å; F726-F729 PolarHBondContact O-N 3.38Å; F726-F729 VanDerWaalsContact O-N 3.16Å; G727-F729 PolarHBondContact O-N 2.91Å; F729-N731 PolarHBondContact O-N 2.67Å; F729-N731 VanDerWaalsContact O-N 3.11Å; F729-N731 PolarHBondContact O-OD1 3.02Å; F729-T732 PolarHBondContact O-N 2.74Å; F729-T732 PolarHBondContact O-OG1 3.13Å
730	N	98.2	Very high	98.4	Very high	1 Å²	1	20.4 Å²	20.4	1%	0.005	11%	0.105	C	C	.	.	G	3₁₀ helix	trans	-60.5	-23.6	177.8	82.2	86	0	0	0	113.5	G727 D728 T732 A733 I737 L758 A772 F777	G727-N730 PolarHBondContact O-N 3.42Å; G727-N730 PolarHBondContact O-ND2 2.9Å; D728-N730 VanDerWaalsContact C-N 3.3Å; D728-N730 PolarHBondContact O-N 3.19Å; N730-T732 PolarHBondContact O-N 2.94Å; N730-A733 PolarHBondContact O-N 3.42Å; N730-I737 HydrophobicContact CB-CD1 4.3Å; N730-I737 WeakPolarHBondContact OD1-CD1 3.38Å; N730-L758 HydrophobicContact CB-CD2 3.84Å; N730-A772 PolarHBondContact ND2-O 2.94Å; N730-A772 VanDerWaalsContact ND2-O 3.11Å; N730-F777 WeakPolarHBondContact OD1-CZ 3.18Å
731	N	98.1	Very high	98.4	Very high	61 Å²	61	20.6 Å²	20.6	33%	0.326	11%	0.106	S	C	.	.	G	3₁₀ helix	trans	-62.6	-23.5	-178.4	61.4	-8	0	0	0	113.7	D728 F729 A733 Q734	D728-N731 PolarHBondContact O-OD1 2.66Å; F729-N731 PolarHBondContact O-N 2.67Å; F729-N731 VanDerWaalsContact O-N 3.11Å; F729-N731 PolarHBondContact O-OD1 3.02Å; N731-A733 PolarHBondContact O-N 3.44Å; N731-Q734 WeakPolarHBondContact O-CB 3.32Å; N731-Q734 PolarHBondContact O-N 3.38Å
732	T	97.7	Very high	98.4	Very high	69 Å²	69	21.3 Å²	21.3	42%	0.423	11%	0.111	S	C	.	.	G	3₁₀ helix	trans	-70.5	-21.8	174.8	59.5	0	0	0	0	111.7	E701 F729 N730	E701-T732 WeakPolarHBondContact CB-OG1 3.37Å; E701-T732 WeakPolarHBondContact CG-OG1 3.33Å; E701-T732 PolarHBondContact OE2-OG1 2.88Å; F729-T732 PolarHBondContact O-N 2.74Å; F729-T732 PolarHBondContact O-OG1 3.13Å; N730-T732 PolarHBondContact O-N 2.94Å
733	A	98.4	Very high	98.3	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	12%	0.118	C	C	.	.	G	3₁₀ helix	trans	-101.5	17.7	174.3	0	0	0	0	0	113.6	E701 M705 N730 N731 C735 I736 I737	E701-A733 HydrophobicContact CB-CB 4.18Å; M705-A733 HydrophobicContact CB-CB 4.03Å; M705-A733 HydrophobicContact CE-CB 3.56Å; M705-A733 HydrophobicContact CG-CB 4.46Å; M705-A733 HydrophobicContact SD-CB 3.61Å; N730-A733 PolarHBondContact O-N 3.42Å; N731-A733 PolarHBondContact O-N 3.44Å; A733-C735 PolarHBondContact O-N 2.87Å; A733-C735 VanDerWaalsContact O-N 3.1Å; A733-I736 WeakPolarHBondContact O-CB 3.39Å; A733-I736 PolarHBondContact O-N 3.07Å; A733-I737 PolarHBondContact O-N 3.41Å
734	Q	98.6	Very high	98.1	Very high	33 Å²	33	22 Å²	22	15%	0.154	12%	0.118	C	C	.	.	H	α-helix	trans	-53.6	-37.3	-174.6	-166.4	70.7	63.3	0	0	113	N731 I736 I737 D738	N731-Q734 WeakPolarHBondContact O-CB 3.32Å; N731-Q734 PolarHBondContact O-N 3.38Å; Q734-I736 VanDerWaalsContact C-N 3.29Å; Q734-I736 PolarHBondContact O-N 3.47Å; Q734-I737 PolarHBondContact O-N 3.03Å; Q734-D738 PolarHBondContact NE2-OD1 2.93Å; Q734-D738 WeakPolarHBondContact O-CB 3.27Å; Q734-D738 VanDerWaalsContact O-CG 3.25Å; Q734-D738 PolarHBondContact O-N 3.13Å
735	C	98.2	Very high	97.9	Very high	19 Å²	19	23.1 Å²	23.1	13%	0.128	12%	0.123	C	C	.	.	H	α-helix	trans	-61.5	-35.9	177.2	-176.4	0	0	0	0	112.6	H359 Y702 A733 Q739	H359-C735 WeakPolarHBondContact CB-SG 3.2Å; H359-C735 VanDerWaalsContact CD2-SG 3.52Å; H359-C735 VanDerWaalsContact CG-SG 3.57Å; Y702-C735 HydrophobicContact CE2-CB 3.94Å; Y702-C735 VanDerWaalsContact OH-CB 3.31Å; Y702-C735 WeakPolarHBondContact OH-CB 3.38Å; Y702-C735 PolarHBondContact OH-SG 2.87Å; Y702-C735 VanDerWaalsContact OH-SG 3.32Å; A733-C735 PolarHBondContact O-N 2.87Å; A733-C735 VanDerWaalsContact O-N 3.1Å; C735-Q739 WeakPolarHBondContact O-CB 3.48Å; C735-Q739 VanDerWaalsContact O-CG 3.28Å; C735-Q739 WeakPolarHBondContact O-CG 3.46Å; C735-Q739 PolarHBondContact O-N 3.29Å
736	I	98.8	Very high	97.7	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-68.8	-44.3	175.4	-59.8	-61	0	0	0	110	V366 Y702 M705 L709 A733 Q734 F740 I741	V366-I736 HydrophobicContact CG2-CD1 4.42Å; Y702-I736 HydrophobicContact CD2-CD1 4.06Å; Y702-I736 HydrophobicContact CD2-CG1 3.6Å; Y702-I736 HydrophobicContact CE2-CD1 3.74Å; Y702-I736 HydrophobicContact CE2-CG1 3.67Å; M705-I736 HydrophobicContact CG-CB 4.45Å; M705-I736 HydrophobicContact CG-CG2 3.93Å; M705-I736 HydrophobicContact SD-CB 4.07Å; M705-I736 HydrophobicContact SD-CG2 3.97Å; L709-I736 HydrophobicContact CD2-CG2 3.95Å; A733-I736 WeakPolarHBondContact O-CB 3.39Å; A733-I736 PolarHBondContact O-N 3.07Å; Q734-I736 VanDerWaalsContact C-N 3.29Å; Q734-I736 PolarHBondContact O-N 3.47Å; I736-F740 HydrophobicContact CD1-CD2 4.15Å; I736-F740 HydrophobicContact CD1-CE2 4.11Å; I736-F740 WeakPolarHBondContact O-CB 3.35Å; I736-F740 PolarHBondContact O-N 2.85Å; I736-I741 HydrophobicContact CG2-CD1 4.02Å; I736-I741 HydrophobicContact CG2-CG1 4.11Å; I736-I741 PolarHBondContact O-N 2.87Å
737	I	98.8	Very high	97.6	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	14%	0.137	C	C	.	.	I	π-helix	trans	-58.7	-53.6	178.1	-61.3	170	0	0	0	110.5	M705 N730 A733 Q734 I741 S742 L756 F777 M780 W805	M705-I737 HydrophobicContact CE-CD1 4.2Å; M705-I737 HydrophobicContact CE-CG1 4.24Å; M705-I737 HydrophobicContact SD-CD1 4.3Å; M705-I737 HydrophobicContact SD-CG1 3.69Å; N730-I737 HydrophobicContact CB-CD1 4.3Å; N730-I737 WeakPolarHBondContact OD1-CD1 3.38Å; A733-I737 PolarHBondContact O-N 3.41Å; Q734-I737 PolarHBondContact O-N 3.03Å; I737-I741 HydrophobicContact CG1-CD1 4.43Å; I737-I741 PolarHBondContact O-N 3.1Å; I737-S742 WeakPolarHBondContact O-CB 3.5Å; I737-S742 PolarHBondContact O-N 3.43Å; I737-S742 PolarHBondContact O-OG 3.08Å; I737-L756 HydrophobicContact CG1-CD1 4.45Å; I737-F777 HydrophobicContact CD1-CE1 4.11Å; I737-F777 HydrophobicContact CD1-CZ 3.91Å; I737-F777 HydrophobicContact CG2-CD1 4.31Å; I737-F777 HydrophobicContact CG2-CE1 3.79Å; I737-M780 HydrophobicContact CG2-CE 3.86Å; I737-W805 HydrophobicContact CG2-CH2 4.04Å; I737-W805 HydrophobicContact CG2-CZ3 4.08Å
738	D	98.4	Very high	97.4	Very high	50 Å²	50	27 Å²	27	27%	0.267	14%	0.14	S	C	.	.	I	π-helix	trans	-70.7	-43.4	-173.6	-65.9	1	0	0	0	112.5	Q734 S742 S743	Q734-D738 PolarHBondContact NE2-OD1 2.93Å; Q734-D738 WeakPolarHBondContact O-CB 3.27Å; Q734-D738 VanDerWaalsContact O-CG 3.25Å; Q734-D738 PolarHBondContact O-N 3.13Å; D738-S742 PolarHBondContact O-OG 2.92Å; D738-S743 PolarHBondContact O-OG 3.06Å
739	Q	97.8	Very high	97.1	Very high	46 Å²	46	27.4 Å²	27.4	22%	0.215	14%	0.142	C	C	.	.	I	π-helix	trans	-97	-15.2	-165.9	-55	-56.7	-43.5	0	0	113.6	P357 H359 C735 S743 K747 W748	P357-Q739 HydrophobicContact CB-CB 3.77Å; P357-Q739 HydrophobicContact CB-CG 4.15Å; P357-Q739 HydrophobicContact CG-CB 3.71Å; P357-Q739 HydrophobicContact CG-CG 4.27Å; H359-Q739 VanDerWaalsContact CE1-CD 3.48Å; C735-Q739 WeakPolarHBondContact O-CB 3.48Å; C735-Q739 VanDerWaalsContact O-CG 3.28Å; C735-Q739 WeakPolarHBondContact O-CG 3.46Å; C735-Q739 PolarHBondContact O-N 3.29Å; Q739-S743 PolarHBondContact O-OG 3.14Å; Q739-K747 WeakPolarHBondContact O-CE 3.39Å; Q739-K747 PolarHBondContact O-NZ 3.05Å; Q739-W748 WeakPolarHBondContact O-CH2 3.4Å
740	F	98.2	Very high	96.8	Very high	13 Å²	13	26.1 Å²	26.1	6%	0.057	14%	0.136	C	C	.	.	I	π-helix	trans	-127.7	-54.7	179.8	-61.8	-100.6	0	0	0	112.6	P357 A362 V363 V366 L709 I736 G744 W748	P357-F740 HydrophobicContact CG-CD2 4.5Å; P357-F740 HydrophobicContact CG-CE2 3.71Å; P357-F740 HydrophobicContact CG-CZ 3.9Å; A362-F740 HydrophobicContact CB-CE2 4.02Å; A362-F740 HydrophobicContact CB-CZ 4.49Å; V363-F740 HydrophobicContact CB-CZ 4.35Å; V366-F740 HydrophobicContact CG2-CD1 4.34Å; V366-F740 HydrophobicContact CG2-CE1 4.04Å; V366-F740 HydrophobicContact CG2-CZ 4.15Å; L709-F740 HydrophobicContact CD2-CB 3.28Å; L709-F740 HydrophobicContact CD2-CD1 3.98Å; L709-F740 HydrophobicContact CD2-CG 3.75Å; I736-F740 HydrophobicContact CD1-CD2 4.15Å; I736-F740 HydrophobicContact CD1-CE2 4.11Å; I736-F740 WeakPolarHBondContact O-CB 3.35Å; I736-F740 PolarHBondContact O-N 2.85Å; F740-G744 WeakPolarHBondContact O-CA 3.18Å; F740-G744 PolarHBondContact O-N 3.08Å; F740-W748 AromaticContact CD1-CH2 3.93Å; F740-W748 HydrophobicContact CD1-CH2 3.93Å; F740-W748 AromaticContact CD1-CZ3 3.61Å; F740-W748 HydrophobicContact CD1-CZ3 3.61Å; F740-W748 HydrophobicContact CE1-CH2 4.04Å; F740-W748 HydrophobicContact CE1-CZ3 4.07Å; F740-W748 HydrophobicContact CG-CH2 4.49Å; F740-W748 HydrophobicContact CG-CZ3 4.29Å
741	I	98.3	Very high	96.6	Very high	5 Å²	5	27 Å²	27	3%	0.026	14%	0.14	C	C	.	.	I	π-helix	trans	-69	-49.4	-171.9	-57	-179.6	0	0	0	110.7	M705 L709 I736 I737 I754 L756 W805 P831 I833	M705-I741 HydrophobicContact CG-CD1 4.22Å; M705-I741 HydrophobicContact SD-CD1 3.81Å; L709-I741 HydrophobicContact CD1-CG1 4.38Å; L709-I741 HydrophobicContact CD2-CG1 4.48Å; I736-I741 HydrophobicContact CG2-CD1 4.02Å; I736-I741 HydrophobicContact CG2-CG1 4.11Å; I736-I741 PolarHBondContact O-N 2.87Å; I737-I741 HydrophobicContact CG1-CD1 4.43Å; I737-I741 PolarHBondContact O-N 3.1Å; I741-I754 HydrophobicContact CD1-CD1 4.42Å; I741-I754 HydrophobicContact CD1-CG2 4.42Å; I741-I754 HydrophobicContact CG1-CG2 4.46Å; I741-I754 HydrophobicContact CG2-CG2 4.21Å; I741-L756 HydrophobicContact CD1-CD1 3.95Å; I741-L756 HydrophobicContact CD1-CD2 4.21Å; I741-L756 HydrophobicContact CD1-CG 4.45Å; I741-W805 HydrophobicContact CB-CZ3 4.42Å; I741-W805 HydrophobicContact CG2-CE3 3.91Å; I741-W805 HydrophobicContact CG2-CZ3 4.02Å; I741-P831 HydrophobicContact CG2-CB 3.51Å; I741-P831 HydrophobicContact CG2-CG 3.75Å; I741-P831 WeakPolarHBondContact O-CG 3.12Å; I741-I833 HydrophobicContact CG2-CD1 4.48Å
742	S	97.7	Very high	96.5	Very high	15 Å²	15	24.3 Å²	24.3	11%	0.105	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-31	-177	73.4	0	0	0	0	113.9	I737 D738 N804	I737-S742 WeakPolarHBondContact O-CB 3.5Å; I737-S742 PolarHBondContact O-N 3.43Å; I737-S742 PolarHBondContact O-OG 3.08Å; D738-S742 PolarHBondContact O-OG 2.92Å; S742-N804 PolarHBondContact O-ND2 3.5Å
743	S	96.7	Very high	96.4	Very high	25 Å²	25	21.2 Å²	21.2	18%	0.175	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	-125.7	-5.6	-163.5	60	0	0	0	0	114.7	D738 Q739 Q745 Q746 K747	D738-S743 PolarHBondContact O-OG 3.06Å; Q739-S743 PolarHBondContact O-OG 3.14Å; S743-Q745 PolarHBondContact O-N 3.13Å; S743-Q746 PolarHBondContact O-N 2.68Å; S743-Q746 VanDerWaalsContact O-N 3.16Å; S743-K747 WeakPolarHBondContact O-CG 3.26Å; S743-K747 PolarHBondContact O-N 3.16Å; S743-K747 WeakPolarHBondContact OG-CE 3.43Å
744	G	95.6	Very high	96.5	Very high	3 Å²	3	21.2 Å²	21.2	3%	0.031	11%	0.108	C	C	.	.	H	α-helix	trans	-62.8	-37.2	-174.6	0	0	0	0	0	114.1	F740 W748 R750	F740-G744 WeakPolarHBondContact O-CA 3.18Å; F740-G744 PolarHBondContact O-N 3.08Å; G744-W748 PolarHBondContact O-N 3.22Å; G744-R750 PolarHBondContact O-N 2.84Å
745	Q	94.7	Very high	96.5	Very high	27 Å²	27	19.7 Å²	19.7	13%	0.126	10%	0.101	C	C	.	.	H	α-helix	trans	-68.2	-43	173.7	-174.7	174.9	-1.7	0	0	111.4	S743 K747 V749 R750 Q751	S743-Q745 PolarHBondContact O-N 3.13Å; Q745-K747 PolarHBondContact O-N 3Å; Q745-V749 WeakPolarHBondContact O-CA 3.2Å; Q745-V749 PolarHBondContact O-N 2.82Å; Q745-R750 WeakPolarHBondContact CA-O 3.47Å; Q745-R750 PolarHBondContact N-O 3.33Å; Q745-Q751 HydrophobicContact CG-CG 4.44Å
746	Q	94.7	Very high	96.5	Very high	103 Å²	103	18.8 Å²	18.8	48%	0.481	10%	0.095	S	C	.	.	H	α-helix	trans	-63.9	-43.4	179.5	-172.5	62.5	25.6	0	0	111.5	G326 S327 S743	G326-Q746 CarbonylContact C-O 3.35Å; G326-Q746 WeakPolarHBondContact CA-O 3.42Å; S327-Q746 PolarHBondContact N-O 3.19Å; S327-Q746 PolarHBondContact OG-O 3.37Å; S743-Q746 PolarHBondContact O-N 2.68Å; S743-Q746 VanDerWaalsContact O-N 3.16Å
747	K	94.7	Very high	96.5	Very high	29 Å²	29	18.8 Å²	18.8	13%	0.126	10%	0.095	C	C	.	.	H	α-helix	trans	-78.8	-40.2	-176.6	-67.4	-173.2	-61.4	178.8	0	113.9	G328 D329 Q739 S743 Q745	G328-K747 CarbonylContact C-O 3.6Å; G328-K747 WeakPolarHBondContact CA-O 3.38Å; D329-K747 HydrophobicContact CB-CB 4.36Å; Q739-K747 WeakPolarHBondContact O-CE 3.39Å; Q739-K747 PolarHBondContact O-NZ 3.05Å; S743-K747 WeakPolarHBondContact O-CG 3.26Å; S743-K747 PolarHBondContact O-N 3.16Å; S743-K747 WeakPolarHBondContact OG-CE 3.43Å; Q745-K747 PolarHBondContact O-N 3Å
748	W	94.4	Very high	96.5	Very high	16 Å²	16	18.8 Å²	18.8	6%	0.061	10%	0.095	C	C	.	.	H	α-helix	trans	-128.7	9.5	-166.8	-48.2	-46	0	0	0	113.7	D329 A355 N356 Q739 F740 G744 R750	D329-W748 PolarHBondContact OD2-NE1 3.25Å; A355-W748 HydrophobicContact CB-CB 4.18Å; A355-W748 HydrophobicContact CB-CD2 3.46Å; A355-W748 VanDerWaalsContact CB-CD2 3.46Å; A355-W748 HydrophobicContact CB-CE3 3.8Å; A355-W748 HydrophobicContact CB-CG 3.64Å; A355-W748 HydrophobicContact CB-CZ2 4.42Å; A355-W748 HydrophobicContact CB-CZ3 4.41Å; N356-W748 VanDerWaalsContact C-CZ2 3.48Å; Q739-W748 WeakPolarHBondContact O-CH2 3.4Å; F740-W748 AromaticContact CD1-CH2 3.93Å; F740-W748 HydrophobicContact CD1-CH2 3.93Å; F740-W748 AromaticContact CD1-CZ3 3.61Å; F740-W748 HydrophobicContact CD1-CZ3 3.61Å; F740-W748 HydrophobicContact CE1-CH2 4.04Å; F740-W748 HydrophobicContact CE1-CZ3 4.07Å; F740-W748 HydrophobicContact CG-CH2 4.49Å; F740-W748 HydrophobicContact CG-CZ3 4.29Å; G744-W748 PolarHBondContact O-N 3.22Å; W748-R750 HydrophobicContact CB-CB 4.28Å; W748-R750 PolarHBondContact O-N 3.04Å
749	V	93	Very high	96.5	Very high	12 Å²	12	16.4 Å²	16.4	7%	0.073	8%	0.082	C	C	.	.			trans	55.5	24.1	-175.2	-163.4	0	0	0	0	111.7	E325 N564 R565 Q745 Q751	E325-V749 HydrophobicContact CG-CG1 3.67Å; E325-V749 HydrophobicContact CG-CG2 4.11Å; E325-V749 VanDerWaalsContact O-CG2 3.28Å; E325-V749 WeakPolarHBondContact O-CG2 3.36Å; E325-V749 WeakPolarHBondContact OE1-CG1 3.3Å; N564-V749 HydrophobicContact CB-CG2 3.51Å; R565-V749 HydrophobicContact CG-CB 4.32Å; R565-V749 HydrophobicContact CG-CG1 3.81Å; R565-V749 HydrophobicContact CG-CG2 4.49Å; Q745-V749 WeakPolarHBondContact O-CA 3.2Å; Q745-V749 PolarHBondContact O-N 2.82Å; V749-Q751 PolarHBondContact O-N 3.1Å
750	R	92.5	Very high	96.6	Very high	22 Å²	22	14.7 Å²	14.7	8%	0.083	7%	0.074	C	C	.	.			trans	-90.7	101.7	-176.9	-171	75.6	-150.1	142.8	-0.2	110.3	D569 S570 W572 L713 G744 Q745 W748	D569-R750 WeakPolarHBondContact OD1-CD 3.44Å; D569-R750 IonicContact OD1-NE 3.57Å; S570-R750 VanDerWaalsContact CB-CZ 3.45Å; S570-R750 PolarHBondContact O-NH1 2.99Å; S570-R750 PolarHBondContact O-NH2 3.29Å; W572-R750 VanDerWaalsContact CZ2-NH2 3.34Å; L713-R750 HydrophobicContact CD1-CG 4.18Å; L713-R750 HydrophobicContact CD2-CG 3.79Å; L713-R750 PolarHBondContact O-NH2 3.09Å; G744-R750 PolarHBondContact O-N 2.84Å; Q745-R750 WeakPolarHBondContact CA-O 3.47Å; Q745-R750 PolarHBondContact N-O 3.33Å; W748-R750 HydrophobicContact CB-CB 4.28Å; W748-R750 PolarHBondContact O-N 3.04Å
751	Q	94.1	Very high	96.5	Very high	18 Å²	18	14.1 Å²	14.1	8%	0.084	7%	0.072	C	C	.	.			trans	-70.2	146.2	167.6	-66.8	-172.4	10.9	0	0	110.9	W572 Q745 V749 R829	W572-Q751 HydrophobicContact CH2-CB 4.21Å; W572-Q751 WeakPolarHBondContact CH2-O 3.24Å; W572-Q751 HydrophobicContact CZ3-CB 3.84Å; Q745-Q751 HydrophobicContact CG-CG 4.44Å; V749-Q751 PolarHBondContact O-N 3.1Å; Q751-R829 HydrophobicContact CB-CB 4.14Å; Q751-R829 WeakPolarHBondContact CB-O 3.33Å
752	S	95.5	Very high	96.5	Very high	6 Å²	6	13.9 Å²	13.9	4%	0.042	7%	0.071	C	C	.	.			trans	-138.2	139.7	175	172.5	0	0	0	0	109.5	S712 I754 R829 K830 P831	S712-S752 PolarHBondContact OG-OG 3.47Å; S752-I754 WeakPolarHBondContact OG-CG2 3.36Å; S752-I754 PolarHBondContact OG-N 3.47Å; S752-R829 CarbonylContact O-C 3.54Å; S752-K830 CarbonylContact O-C 3.48Å; S752-K830 VanDerWaalsContact O-CA 3.3Å; S752-K830 WeakPolarHBondContact O-CA 3.45Å; S752-K830 PolarHBondContact O-N 3.45Å; S752-P831 WeakPolarHBondContact O-CD 3.45Å; S752-P831 VanDerWaalsContact O-N 3.1Å
753	G	96.4	Very high	96.4	Very high	4 Å²	4	15.9 Å²	15.9	4%	0.041	8%	0.078	C	C	.	.			trans	-99	12.3	176.2	0	0	0	0	0	114.1	Q823	G753-Q823 PolarHBondContact O-NE2 2.81Å
754	I	98.5	Very high	96.2	Very high	0 Å²	0	16 Å²	16	0%	0	8%	0.084	C	C	.	.			trans	-59.4	137.1	-175.4	-169.4	171.2	0	0	0	111.7	E708 L709 I741 S752 L756 P831 L832	E708-I754 HydrophobicContact CB-CD1 4.28Å; L709-I754 HydrophobicContact CB-CD1 4.1Å; L709-I754 HydrophobicContact CD1-CG2 4.43Å; I741-I754 HydrophobicContact CD1-CD1 4.42Å; I741-I754 HydrophobicContact CD1-CG2 4.42Å; I741-I754 HydrophobicContact CG1-CG2 4.46Å; I741-I754 HydrophobicContact CG2-CG2 4.21Å; S752-I754 WeakPolarHBondContact OG-CG2 3.36Å; S752-I754 PolarHBondContact OG-N 3.47Å; I754-L756 HydrophobicContact CD1-CD2 3.84Å; I754-L756 HydrophobicContact CG1-CD2 4.01Å; I754-P831 HydrophobicContact CG2-CB 4.05Å; I754-P831 HydrophobicContact CG2-CG 4.43Å; I754-P831 WeakPolarHBondContact O-CA 3.49Å; I754-L832 PolarHBondContact O-N 3.29Å
755	V	98.9	Very high	96.2	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	125.9	172.6	-175.3	0	0	0	0	109.6	L719 V720 I721 W722 L757 L820 Q823 L832 V834	L719-V755 HydrophobicContact CD1-CG2 3.66Å; V720-V755 PolarHBondContact O-N 2.76Å; I721-V755 WeakPolarHBondContact CA-O 3.31Å; I721-V755 HydrophobicContact CB-CB 4.44Å; I721-V755 HydrophobicContact CG1-CB 4.14Å; I721-V755 HydrophobicContact CG1-CG2 4.48Å; I721-V755 HydrophobicContact CG2-CB 4.27Å; I721-V755 HydrophobicContact CG2-CG1 4.37Å; W722-V755 PolarHBondContact N-O 3.48Å; V755-L757 HydrophobicContact CG1-CD2 3.71Å; V755-L757 HydrophobicContact CG1-CG 4.37Å; V755-L820 HydrophobicContact CG1-CD2 4.25Å; V755-Q823 HydrophobicContact CG2-CG 3.84Å; V755-L832 CarbonylContact C-O 3.54Å; V755-L832 VanDerWaalsContact CA-O 3.28Å; V755-L832 WeakPolarHBondContact CA-O 3.28Å; V755-L832 HydrophobicContact CG1-CB 4.44Å; V755-L832 HydrophobicContact CG1-CD2 4.12Å; V755-L832 HydrophobicContact CG1-CG 4.26Å; V755-L832 HydrophobicContact CG2-CB 4.21Å; V755-L832 HydrophobicContact CG2-CD2 4.21Å; V755-V834 HydrophobicContact CG1-CG2 4.42Å
756	L	98.9	Very high	96.3	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	118.4	170.1	-53.2	-166.9	0	0	0	109.5	M705 W722 I737 I741 I754 L758 F777 L832 I833 V834	M705-L756 HydrophobicContact CE-CD1 4.1Å; M705-L756 HydrophobicContact CE-CD2 4.39Å; M705-L756 HydrophobicContact CG-CD2 4.36Å; M705-L756 HydrophobicContact SD-CD1 4.27Å; M705-L756 HydrophobicContact SD-CD2 4.48Å; W722-L756 HydrophobicContact CB-CD2 4.07Å; W722-L756 HydrophobicContact CE3-CD2 3.98Å; W722-L756 WeakPolarHBondContact O-CA 3.35Å; I737-L756 HydrophobicContact CG1-CD1 4.45Å; I741-L756 HydrophobicContact CD1-CD1 3.95Å; I741-L756 HydrophobicContact CD1-CD2 4.21Å; I741-L756 HydrophobicContact CD1-CG 4.45Å; I754-L756 HydrophobicContact CD1-CD2 3.84Å; I754-L756 HydrophobicContact CG1-CD2 4.01Å; L756-L758 HydrophobicContact CB-CD2 4.4Å; L756-L758 HydrophobicContact CB-CG 4.33Å; L756-F777 HydrophobicContact CD1-CE1 4.47Å; L756-L832 PolarHBondContact N-O 2.89Å; L756-I833 HydrophobicContact CB-CD1 4.02Å; L756-I833 HydrophobicContact CD1-CD1 3.69Å; L756-I833 HydrophobicContact CG-CD1 3.74Å; L756-V834 PolarHBondContact O-N 2.8Å
757	L	98.9	Very high	96.4	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	115.5	172.2	-56.9	-174.1	0	0	0	109.1	I721 W722 E723 A724 V755 F816 V834 T836	I721-L757 HydrophobicContact CG2-CD1 3.58Å; I721-L757 HydrophobicContact CG2-CD2 4.43Å; I721-L757 HydrophobicContact CG2-CG 3.59Å; W722-L757 PolarHBondContact O-N 3.3Å; E723-L757 HydrophobicContact CB-CB 3.99Å; E723-L757 HydrophobicContact CB-CD1 4.45Å; E723-L757 HydrophobicContact CG-CB 3.95Å; A724-L757 PolarHBondContact N-O 2.87Å; V755-L757 HydrophobicContact CG1-CD2 3.71Å; V755-L757 HydrophobicContact CG1-CG 4.37Å; L757-F816 HydrophobicContact CD1-CZ 4.23Å; L757-F816 HydrophobicContact CD2-CE2 3.91Å; L757-F816 HydrophobicContact CD2-CZ 3.94Å; L757-V834 HydrophobicContact CD2-CB 3.97Å; L757-V834 HydrophobicContact CD2-CG2 4.2Å; L757-T836 HydrophobicContact CB-CG2 3.85Å; L757-T836 HydrophobicContact CD2-CG2 3.76Å; L757-T836 HydrophobicContact CG-CG2 4.24Å
758	L	98.8	Very high	96.5	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	94.3	-171.2	-57.9	-179.3	0	0	0	110.5	W722 A724 N730 L756 H760 A772 F777 I833 V834 F835 T836	W722-L758 HydrophobicContact CZ3-CD2 3.79Å; A724-L758 HydrophobicContact CB-CD2 3.99Å; N730-L758 HydrophobicContact CB-CD2 3.84Å; L756-L758 HydrophobicContact CB-CD2 4.4Å; L756-L758 HydrophobicContact CB-CG 4.33Å; L758-H760 PolarHBondContact O-N 2.85Å; L758-H760 VanDerWaalsContact O-N 3.07Å; L758-A772 HydrophobicContact CB-CB 3.79Å; L758-A772 HydrophobicContact CD1-CB 4.29Å; L758-F777 HydrophobicContact CD1-CE1 4.34Å; L758-F777 HydrophobicContact CD1-CE2 3.62Å; L758-F777 HydrophobicContact CD1-CZ 3.51Å; L758-I833 HydrophobicContact CD1-CG2 3.69Å; L758-V834 PolarHBondContact N-O 2.83Å; L758-F835 HydrophobicContact CB-CD1 4.08Å; L758-F835 HydrophobicContact CB-CE1 4.41Å; L758-F835 HydrophobicContact CD1-CD1 4.33Å; L758-F835 HydrophobicContact CD1-CE1 3.83Å; L758-F835 CarbonylContact O-C 3.53Å; L758-F835 WeakPolarHBondContact O-CA 3.35Å; L758-T836 VanDerWaalsContact C-OG1 3.3Å; L758-T836 PolarHBondContact N-OG1 2.94Å; L758-T836 PolarHBondContact O-N 3.18Å
759	P	98.7	Very high	96.7	Very high	1 Å²	1	22 Å²	22	1%	0.006	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.7	115.9	-179.4	-27.3	34.4	0	0	0	112.2	F662 A724 G727 T836 K838	F662-P759 HydrophobicContact CE2-CB 3.85Å; F662-P759 HydrophobicContact CE2-CG 4.02Å; F662-P759 HydrophobicContact CZ-CB 4Å; A724-P759 VanDerWaalsContact O-CD 3.25Å; A724-P759 WeakPolarHBondContact O-CD 3.23Å; A724-P759 WeakPolarHBondContact O-CG 3.48Å; G727-P759 WeakPolarHBondContact CA-O 3.44Å; G727-P759 PolarHBondContact N-O 2.88Å; P759-T836 CarbonylContact C-O 3.47Å; P759-T836 VanDerWaalsContact CA-O 3.27Å; P759-T836 WeakPolarHBondContact CA-O 3.35Å; P759-T836 WeakPolarHBondContact CA-OG1 3.32Å; P759-K838 HydrophobicContact CB-CD 4.46Å; P759-K838 HydrophobicContact CB-CG 4.02Å
760	H	98.6	Very high	96.9	Very high	10 Å²	10	21.4 Å²	21.4	5%	0.046	12%	0.115	C	C	.	.			trans	-127.2	143.5	-172.1	-176.8	98.4	0	0	0	110.2	L758 A772 F835 T836 E937	L758-H760 PolarHBondContact O-N 2.85Å; L758-H760 VanDerWaalsContact O-N 3.07Å; H760-A772 HydrophobicContact CB-CB 4.26Å; H760-A772 PolarHBondContact ND1-N 3.37Å; H760-F835 HydrophobicContact CB-CB 3.91Å; H760-F835 HydrophobicContact CB-CD1 4.29Å; H760-T836 PolarHBondContact N-O 3.36Å; H760-E937 IonicContact CE1-OE1 3.42Å; H760-E937 IonicContact NE2-OE1 2.63Å; H760-E937 PolarHBondContact NE2-OE1 3.09Å
761	G	97.3	Very high	97.2	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	11%	0.111	C	C	.	.			trans	156.5	133.3	170.2	0	0	0	0	0	113.9	E763 S770 K838 E936	G761-E763 PolarHBondContact O-N 2.97Å; G761-E763 VanDerWaalsContact O-N 3.15Å; G761-S770 CarbonylContact C-O 3.56Å; G761-S770 PolarHBondContact N-O 3.48Å; G761-K838 VanDerWaalsContact O-CE 3.25Å; G761-K838 WeakPolarHBondContact O-CE 3.09Å; G761-K838 PolarHBondContact O-NZ 3.35Å; G761-E936 VanDerWaalsContact CA-OE1 3.26Å; G761-E936 WeakPolarHBondContact CA-OE1 3.47Å
762	Y	97.2	Very high	97.4	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	11%	0.107	C	C	.	.			trans	-84.4	95.2	179.5	-73.6	-127.2	0	0	0	109.8	K885 E936 E937 T978 A979 H986	Y762-K885 VanDerWaalsContact N-CE 3.34Å; Y762-K885 PolarHBondContact O-NZ 2.92Å; Y762-E936 HydrophobicContact CD2-CG 3.82Å; Y762-E936 HydrophobicContact CG-CB 4.41Å; Y762-E936 HydrophobicContact CG-CG 4.08Å; Y762-E936 PolarHBondContact N-OE1 3.34Å; Y762-E936 PolarHBondContact N-OE2 3.12Å; Y762-E937 HydrophobicContact CD2-CG 4.25Å; Y762-E937 HydrophobicContact CE2-CB 4.14Å; Y762-E937 HydrophobicContact CE2-CG 3.47Å; Y762-E937 VanDerWaalsContact CE2-CG 3.47Å; Y762-T978 WeakPolarHBondContact CE1-O 3.47Å; Y762-T978 PolarHBondContact OH-O 2.57Å; Y762-A979 HydrophobicContact CD1-CB 4.08Å; Y762-A979 HydrophobicContact CE1-CB 4.1Å; Y762-H986 PolarHBondContact O-CE1 3.36Å
763	E	95.4	Very high	97.5	Very high	57 Å²	57	22 Å²	22	27%	0.266	12%	0.116	S	C	.	.	S	Bend	trans	-120.3	14.5	-171.9	-61.4	174.9	172.4	0	0	112.9	G761 M765 K838 S839 K885	G761-E763 PolarHBondContact O-N 2.97Å; G761-E763 VanDerWaalsContact O-N 3.15Å; E763-M765 HydrophobicContact CB-CG 4.49Å; E763-K838 WeakPolarHBondContact OE2-CB 3.5Å; E763-K838 IonicContact OE2-NZ 3.77Å; E763-S839 WeakPolarHBondContact OE1-CB 3.03Å; E763-S839 PolarHBondContact OE1-N 3.43Å; E763-S839 PolarHBondContact OE1-OG 2.8Å; E763-K885 HydrophobicContact CG-CD 4.49Å
764	G	94.5	Very high	97.6	Very high	29 Å²	29	21.8 Å²	21.8	30%	0.299	11%	0.114	S	C	.	.	S	Bend	trans	77.3	22.2	178.2	0	0	0	0	0	114.2	G766 H986	G764-G766 VanDerWaalsContact C-N 3.32Å; G764-H986 PolarHBondContact N-CE1 2.85Å; G764-H986 VanDerWaalsContact N-CE1 3.3Å; G764-H986 PolarHBondContact N-NE2 2.94Å
765	M	94.8	Very high	97.6	Very high	91 Å²	91	23 Å²	23	45%	0.448	12%	0.119	S	C	.	.	S	Bend	trans	-89.2	6.4	178.8	-60.9	-177.9	69	0	0	113.6	F726 E763 H769	F726-M765 HydrophobicContact CE1-CE 3.91Å; F726-M765 HydrophobicContact CE1-SD 4.13Å; F726-M765 HydrophobicContact CZ-CE 3.75Å; F726-M765 HydrophobicContact CZ-SD 4.49Å; E763-M765 HydrophobicContact CB-CG 4.49Å; M765-H769 HydrophobicContact CB-CB 3.65Å; M765-H769 HydrophobicContact CE-CB 4.31Å
766	G	96	Very high	97.6	Very high	8 Å²	8	26.3 Å²	26.3	8%	0.082	13%	0.132	C	C	.	.			trans	85.2	-179.7	-178	0	0	0	0	0	113.9	G764 E768 H769 S770	G764-G766 VanDerWaalsContact C-N 3.32Å; G766-E768 PolarHBondContact O-N 2.95Å; G766-H769 PolarHBondContact O-N 3.08Å; G766-S770 PolarHBondContact O-OG 3.26Å
767	P	97.1	Very high	97.6	Very high	39 Å²	39	26.4 Å²	26.4	25%	0.253	13%	0.132	S	C	.	.	G	3₁₀ helix	trans	-65.8	-34.4	-169.5	23.1	-33	0	0	0	114.4	H769 A977 T978	P767-H769 VanDerWaalsContact C-N 3.31Å; P767-H769 PolarHBondContact O-N 3.17Å; P767-A977 HydrophobicContact CB-CB 4.4Å; P767-T978 WeakPolarHBondContact CA-OG1 3.42Å; P767-T978 VanDerWaalsContact CB-OG1 3.3Å; P767-T978 WeakPolarHBondContact CB-OG1 3.38Å; P767-T978 PolarHBondContact O-OG1 3.29Å
768	E	97	Very high	97.6	Very high	101 Å²	101	26.6 Å²	26.6	47%	0.472	13%	0.133	S	C	.	.	G	3₁₀ helix	trans	-89.9	11.9	-175.2	-52.6	-54.4	142.1	0	0	114.2	D728 G766	D728-E768 WeakPolarHBondContact CB-O 3.23Å; D728-E768 VanDerWaalsContact OD1-C 3.31Å; G766-E768 PolarHBondContact O-N 2.95Å
769	H	97.9	Very high	97.5	Very high	63 Å²	63	34.4 Å²	34.4	29%	0.292	17%	0.17	S	C	.	.	G	3₁₀ helix	trans	-142.2	29.3	-177.9	-61.4	92.6	0	0	0	112.1	F726 D728 M765 G766 P767 K838	F726-H769 HydrophobicContact CD1-CB 3.81Å; F726-H769 AromaticContact CD1-CD2 3.8Å; F726-H769 AromaticContact CD2-CD2 3.62Å; F726-H769 HydrophobicContact CE1-CB 3.79Å; F726-H769 AromaticContact CE1-CD2 3.77Å; F726-H769 AromaticContact CE2-CD2 3.62Å; F726-H769 HydrophobicContact CG-CB 4.49Å; F726-H769 AromaticContact CG-CD2 3.72Å; F726-H769 HydrophobicContact CZ-CB 4.48Å; F726-H769 AromaticContact CZ-CD2 3.68Å; D728-H769 PolarHBondContact OD1-N 3.02Å; D728-H769 WeakPolarHBondContact OD2-CA 3.32Å; M765-H769 HydrophobicContact CB-CB 3.65Å; M765-H769 HydrophobicContact CE-CB 4.31Å; G766-H769 PolarHBondContact O-N 3.08Å; P767-H769 VanDerWaalsContact C-N 3.31Å; P767-H769 PolarHBondContact O-N 3.17Å; H769-K838 PolarHBondContact O-NZ 3.45Å
770	S	98	Very high	97.4	Very high	1 Å²	1	36.5 Å²	36.5	1%	0.007	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-129.7	-40	-172.6	-65.6	0	0	0	0	113.7	D728 G761 G766 A979	D728-S770 PolarHBondContact OD1-N 2.81Å; D728-S770 PolarHBondContact OD2-N 3.05Å; D728-S770 VanDerWaalsContact OD2-N 3.14Å; G761-S770 CarbonylContact C-O 3.56Å; G761-S770 PolarHBondContact N-O 3.48Å; G766-S770 PolarHBondContact O-OG 3.26Å; S770-A979 WeakPolarHBondContact OG-CB 2.94Å
771	S	98.3	Very high	97.4	Very high	0 Å²	0	37 Å²	37	0%	0	18%	0.184	C	C	.	.			trans	-133.3	115.8	-167	-174.1	0	0	0	0	112.8	D728 R773	D728-S771 WeakPolarHBondContact CA-O 3.08Å; D728-S771 PolarHBondContact OD1-N 2.79Å; D728-S771 PolarHBondContact OD2-N 2.99Å; S771-R773 PolarHBondContact O-N 2.8Å; S771-R773 VanDerWaalsContact O-N 3.13Å; S771-R773 PolarHBondContact OG-N 3.07Å
772	A	98.3	Very high	97.2	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.206	C	C	.	.			trans	-67.5	1.9	162.7	0	0	0	0	0	115	N730 L758 H760 F835	N730-A772 PolarHBondContact ND2-O 2.94Å; N730-A772 VanDerWaalsContact ND2-O 3.11Å; L758-A772 HydrophobicContact CB-CB 3.79Å; L758-A772 HydrophobicContact CD1-CB 4.29Å; H760-A772 HydrophobicContact CB-CB 4.26Å; H760-A772 PolarHBondContact ND1-N 3.37Å; A772-F835 HydrophobicContact CB-CD1 3.48Å; A772-F835 VanDerWaalsContact CB-CD1 3.48Å; A772-F835 HydrophobicContact CB-CE1 3.53Å
773	R	98.5	Very high	96.8	Very high	57 Å²	57	42.9 Å²	42.9	22%	0.215	22%	0.216	C	C	.	.			trans	58.6	57.6	-177.9	-59.2	-176.9	174.3	-82.1	2.9	113.5	S771 E775 R776 T978	S771-R773 PolarHBondContact O-N 2.8Å; S771-R773 VanDerWaalsContact O-N 3.13Å; S771-R773 PolarHBondContact OG-N 3.07Å; R773-E775 VanDerWaalsContact C-OE2 3.28Å; R773-E775 WeakPolarHBondContact CA-OE1 3.42Å; R773-E775 WeakPolarHBondContact CA-OE2 3.4Å; R773-E775 VanDerWaalsContact CB-OE1 3.31Å; R773-E775 WeakPolarHBondContact CB-OE1 3.45Å; R773-E775 IonicContact NH1-OE1 2.91Å; R773-E775 PolarHBondContact O-N 2.82Å; R773-E775 VanDerWaalsContact O-N 3.12Å; R773-R776 HydrophobicContact CB-CB 4.31Å; R773-R776 VanDerWaalsContact CD-NH2 3.32Å; R773-R776 WeakPolarHBondContact O-CB 3.47Å; R773-R776 PolarHBondContact O-N 2.72Å; R773-T978 HydrophobicContact CG-CG2 4.44Å
774	I	98.6	Very high	96.6	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-48.3	-41.3	178.5	-54.5	-167.9	0	0	0	111.6	R776 F777 L778 F835 L911 P943	I774-R776 PolarHBondContact O-N 3.32Å; I774-F777 PolarHBondContact O-N 2.98Å; I774-L778 HydrophobicContact CG2-CD1 3.65Å; I774-L778 HydrophobicContact CG2-CG 4.09Å; I774-L778 WeakPolarHBondContact O-CG 3.44Å; I774-L778 PolarHBondContact O-N 3.29Å; I774-F835 HydrophobicContact CB-CD2 4.41Å; I774-F835 HydrophobicContact CB-CE1 4.28Å; I774-F835 HydrophobicContact CB-CE2 3.85Å; I774-F835 HydrophobicContact CB-CZ 3.81Å; I774-F835 HydrophobicContact CD1-CB 4.22Å; I774-F835 HydrophobicContact CD1-CD1 4.12Å; I774-F835 HydrophobicContact CD1-CD2 3.59Å; I774-F835 HydrophobicContact CD1-CE1 4.47Å; I774-F835 HydrophobicContact CD1-CE2 3.95Å; I774-F835 HydrophobicContact CD1-CG 3.67Å; I774-F835 HydrophobicContact CD1-CZ 4.4Å; I774-F835 HydrophobicContact CG1-CD1 3.7Å; I774-F835 HydrophobicContact CG1-CD2 3.7Å; I774-F835 HydrophobicContact CG1-CE1 3.62Å; I774-F835 HydrophobicContact CG1-CE2 3.58Å; I774-F835 HydrophobicContact CG1-CG 3.75Å; I774-F835 HydrophobicContact CG1-CZ 3.57Å; I774-F835 HydrophobicContact CG2-CD2 4.14Å; I774-F835 HydrophobicContact CG2-CE2 3.5Å; I774-F835 HydrophobicContact CG2-CZ 3.9Å; I774-L911 HydrophobicContact CG2-CD1 3.83Å; I774-P943 HydrophobicContact CG2-CG 4.09Å
775	E	98.4	Very high	96.5	Very high	25 Å²	25	48 Å²	48	12%	0.117	23%	0.232	C	C	.	.	H	α-helix	trans	-54.8	-33.8	179.3	66.2	-76.4	177	0	0	113.6	R773 Q779 M941 G942	R773-E775 VanDerWaalsContact C-OE2 3.28Å; R773-E775 WeakPolarHBondContact CA-OE1 3.42Å; R773-E775 WeakPolarHBondContact CA-OE2 3.4Å; R773-E775 VanDerWaalsContact CB-OE1 3.31Å; R773-E775 WeakPolarHBondContact CB-OE1 3.45Å; R773-E775 IonicContact NH1-OE1 2.91Å; R773-E775 PolarHBondContact O-N 2.82Å; R773-E775 VanDerWaalsContact O-N 3.12Å; E775-Q779 WeakPolarHBondContact O-CB 3.33Å; E775-Q779 PolarHBondContact O-N 2.86Å; E775-M941 HydrophobicContact CG-CB 4.44Å; E775-M941 WeakPolarHBondContact OE2-CA 3.39Å; E775-G942 WeakPolarHBondContact CB-O 3.26Å; E775-G942 PolarHBondContact OE2-N 3.06Å
776	R	98.4	Very high	96.3	Very high	71 Å²	71	48 Å²	48	27%	0.268	23%	0.234	S	C	.	.	H	α-helix	trans	-75.4	-40.5	-177.3	-171.5	-175.8	-65.5	160.4	-8.6	111.3	R773 I774 Q779 M780	R773-R776 HydrophobicContact CB-CB 4.31Å; R773-R776 VanDerWaalsContact CD-NH2 3.32Å; R773-R776 WeakPolarHBondContact O-CB 3.47Å; R773-R776 PolarHBondContact O-N 2.72Å; I774-R776 PolarHBondContact O-N 3.32Å; R776-Q779 PolarHBondContact O-N 2.84Å; R776-M780 HydrophobicContact CG-CE 4.22Å; R776-M780 WeakPolarHBondContact O-CE 3.44Å; R776-M780 PolarHBondContact O-N 3.05Å
777	F	98.6	Very high	96	Very high	1 Å²	1	52.7 Å²	52.7	0%	0.004	25%	0.254	C	S	.	.	H	α-helix	trans	-64.2	-44.4	172.7	-69	-87.3	0	0	0	110.4	N730 I737 L756 L758 I774 Q779 M780 W805 I807 I833 F835	N730-F777 WeakPolarHBondContact OD1-CZ 3.18Å; I737-F777 HydrophobicContact CD1-CE1 4.11Å; I737-F777 HydrophobicContact CD1-CZ 3.91Å; I737-F777 HydrophobicContact CG2-CD1 4.31Å; I737-F777 HydrophobicContact CG2-CE1 3.79Å; L756-F777 HydrophobicContact CD1-CE1 4.47Å; L758-F777 HydrophobicContact CD1-CE1 4.34Å; L758-F777 HydrophobicContact CD1-CE2 3.62Å; L758-F777 HydrophobicContact CD1-CZ 3.51Å; I774-F777 PolarHBondContact O-N 2.98Å; F777-Q779 VanDerWaalsContact C-N 3.3Å; F777-Q779 PolarHBondContact O-N 2.7Å; F777-M780 PolarHBondContact O-N 3.27Å; F777-M780 VanDerWaalsContact O-N 3.1Å; F777-W805 HydrophobicContact CB-CZ2 4.39Å; F777-W805 AromaticContact CD1-CH2 3.91Å; F777-W805 HydrophobicContact CD1-CH2 3.91Å; F777-W805 HydrophobicContact CD1-CZ2 4.27Å; F777-W805 HydrophobicContact CD1-CZ3 4.37Å; F777-W805 VanDerWaalsContact O-CZ2 3.3Å; F777-W805 WeakPolarHBondContact O-CZ2 3.21Å; F777-I807 HydrophobicContact CB-CD1 3.69Å; F777-I833 HydrophobicContact CD1-CD1 4.38Å; F777-I833 HydrophobicContact CD1-CG1 4.05Å; F777-I833 HydrophobicContact CD1-CG2 3.85Å; F777-I833 HydrophobicContact CE1-CD1 4.24Å; F777-I833 HydrophobicContact CE1-CG1 4.36Å; F777-I833 HydrophobicContact CE1-CG2 3.9Å; F777-I833 HydrophobicContact CG-CG2 4.19Å; F777-I833 HydrophobicContact CZ-CG2 4.28Å; F777-F835 HydrophobicContact CB-CZ 4.42Å; F777-F835 HydrophobicContact CD2-CE1 4.13Å; F777-F835 AromaticContact CD2-CZ 3.82Å; F777-F835 HydrophobicContact CD2-CZ 3.82Å; F777-F835 HydrophobicContact CE2-CE1 4.33Å; F777-F835 HydrophobicContact CE2-CZ 4.44Å; F777-F835 HydrophobicContact CG-CZ 4.28Å
778	L	98.3	Very high	95.8	Very high	5 Å²	5	51 Å²	51	3%	0.026	24%	0.242	C	C	.	.	H	α-helix	trans	-63.6	-34.1	178	-68.2	172.3	0	0	0	113.4	I774 M780 C781 I807 L911 P943 Y946	I774-L778 HydrophobicContact CG2-CD1 3.65Å; I774-L778 HydrophobicContact CG2-CG 4.09Å; I774-L778 WeakPolarHBondContact O-CG 3.44Å; I774-L778 PolarHBondContact O-N 3.29Å; L778-M780 PolarHBondContact O-N 2.74Å; L778-C781 WeakPolarHBondContact O-CB 3.46Å; L778-C781 PolarHBondContact O-N 3.45Å; L778-C781 PolarHBondContact O-SG 3.42Å; L778-I807 HydrophobicContact CD2-CD1 3.86Å; L778-I807 HydrophobicContact CG-CD1 4.36Å; L778-L911 HydrophobicContact CD1-CD1 4.37Å; L778-L911 HydrophobicContact CD2-CB 3.85Å; L778-P943 HydrophobicContact CD1-CB 3.78Å; L778-P943 HydrophobicContact CD1-CG 4.32Å; L778-Y946 HydrophobicContact CB-CD2 3.77Å; L778-Y946 HydrophobicContact CB-CE2 4.47Å; L778-Y946 HydrophobicContact CB-CG 3.9Å; L778-Y946 HydrophobicContact CD1-CD1 4.28Å; L778-Y946 HydrophobicContact CD1-CG 4.05Å; L778-Y946 HydrophobicContact CD2-CD1 3.93Å; L778-Y946 HydrophobicContact CD2-CD2 4.09Å; L778-Y946 HydrophobicContact CD2-CE1 4.05Å; L778-Y946 HydrophobicContact CD2-CE2 4.19Å; L778-Y946 HydrophobicContact CD2-CG 3.95Å; L778-Y946 HydrophobicContact CG-CD2 4.4Å; L778-Y946 HydrophobicContact CG-CG 4.19Å
779	Q	97.7	Very high	95.6	Very high	163 Å²	163	47.2 Å²	47.2	76%	0.762	23%	0.227	S	C	*	.	H	α-helix	trans	-63.2	-27.4	175.1	-176	177	32.6	0	0	113	E775 R776 F777	E775-Q779 WeakPolarHBondContact O-CB 3.33Å; E775-Q779 PolarHBondContact O-N 2.86Å; R776-Q779 PolarHBondContact O-N 2.84Å; F777-Q779 VanDerWaalsContact C-N 3.3Å; F777-Q779 PolarHBondContact O-N 2.7Å
780	M	97.5	Very high	95.2	Very high	45 Å²	45	49.6 Å²	49.6	22%	0.222	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.4	8.3	-179.7	-71.9	-175.3	-74.4	0	0	113.4	I737 R776 F777 L778 N804 W805	I737-M780 HydrophobicContact CG2-CE 3.86Å; R776-M780 HydrophobicContact CG-CE 4.22Å; R776-M780 WeakPolarHBondContact O-CE 3.44Å; R776-M780 PolarHBondContact O-N 3.05Å; F777-M780 PolarHBondContact O-N 3.27Å; F777-M780 VanDerWaalsContact O-N 3.1Å; L778-M780 PolarHBondContact O-N 2.74Å; M780-N804 PolarHBondContact O-ND2 3.16Å; M780-W805 HydrophobicContact CB-CH2 4.02Å; M780-W805 HydrophobicContact CB-CZ2 3.61Å; M780-W805 HydrophobicContact CE-CH2 3.76Å; M780-W805 HydrophobicContact CE-CZ2 4.26Å; M780-W805 HydrophobicContact SD-CH2 4.29Å
781	C	96.9	Very high	94.9	Very high	20 Å²	20	53.8 Å²	53.8	14%	0.135	26%	0.261	C	S	.	.			trans	-72.4	148.4	171.4	-62.9	0	0	0	0	111.2	L778 D783 N804 W805 I807 Y946	L778-C781 WeakPolarHBondContact O-CB 3.46Å; L778-C781 PolarHBondContact O-N 3.45Å; L778-C781 PolarHBondContact O-SG 3.42Å; C781-D783 VanDerWaalsContact CB-OD1 3.23Å; C781-D783 WeakPolarHBondContact CB-OD1 3.39Å; C781-N804 WeakPolarHBondContact CA-OD1 3.38Å; C781-W805 PolarHBondContact SG-NE1 2.64Å; C781-I807 VanDerWaalsContact SG-CD1 3.58Å; C781-Y946 HydrophobicContact CB-CE2 4.13Å
782	N	94.1	Very high	94.6	Very high	86 Å²	86	56.3 Å²	56.3	46%	0.46	28%	0.279	S	S	.	.			trans	-94.8	11.3	-179.4	70	-25.3	0	0	0	114.4	D802 T803 N804	N782-D802 PolarHBondContact ND2-O 2.74Å; N782-T803 WeakPolarHBondContact OD1-CA 3.31Å; N782-N804 HydrophobicContact CB-CB 4.41Å; N782-N804 PolarHBondContact N-OD1 2.76Å; N782-N804 PolarHBondContact ND2-N 3.46Å; N782-N804 PolarHBondContact OD1-N 3.21Å; N782-N804 PolarHBondContact OD1-OD1 3.25Å
783	D	89.4	Confident	94.2	Very high	38 Å²	38	64.6 Å²	64.6	20%	0.203	32%	0.323	C	S	.	.			trans	-89.9	135.6	179.7	69.8	-85	0	0	0	112.1	C781 T912 Y946 R950	C781-D783 VanDerWaalsContact CB-OD1 3.23Å; C781-D783 WeakPolarHBondContact CB-OD1 3.39Å; D783-T912 PolarHBondContact OD1-OG1 3.29Å; D783-Y946 WeakPolarHBondContact OD1-CE2 3.38Å; D783-Y946 PolarHBondContact OD1-OH 3.17Å; D783-Y946 PolarHBondContact OD2-OH 3.43Å; D783-R950 PolarHBondContact O-NH2 2.82Å; D783-R950 IonicContact OD1-NH2 3.75Å; D783-R950 IonicContact OD2-CZ 3.92Å; D783-R950 IonicContact OD2-NE 3.61Å; D783-R950 PolarHBondContact OD2-NE 3.15Å; D783-R950 IonicContact OD2-NH2 2.72Å; D783-R950 PolarHBondContact OD2-NH2 3.34Å
784	E	90.1	Very high	93.9	Very high	116 Å²	116	65.7 Å²	65.7	54%	0.542	33%	0.333	S	S	.	.			trans	-83.1	132.3	-174.9	177.8	51.9	-149.4	0	0	112.2	N786 H787	E784-N786 VanDerWaalsContact C-N 3.32Å; E784-N786 PolarHBondContact O-N 2.91Å; E784-N786 PolarHBondContact OE1-ND2 3.02Å; E784-H787 HydrophobicContact CB-CB 4.1Å; E784-H787 HydrophobicContact CG-CB 4.21Å; E784-H787 PolarHBondContact O-N 2.79Å
785	E	91.9	Very high	93.7	Very high	78 Å²	78	66.2 Å²	66.2	36%	0.364	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-23.2	-173.4	68.4	178.9	-161.7	0	0	114.2	P949 R950	E785-P949 HydrophobicContact CB-CB 4.03Å; E785-P949 HydrophobicContact CB-CG 4.13Å; E785-P949 HydrophobicContact CG-CB 4.25Å; E785-P949 WeakPolarHBondContact OE2-CB 3.37Å; E785-P949 VanDerWaalsContact OE2-CG 3.26Å; E785-P949 WeakPolarHBondContact OE2-CG 3.49Å; E785-R950 HydrophobicContact CB-CG 4.18Å
786	N	90.8	Very high	93.4	Very high	90 Å²	90	66.6 Å²	66.6	48%	0.481	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.7	23.4	179.6	-61.1	-64.8	0	0	0	113	E784 H953	E784-N786 VanDerWaalsContact C-N 3.32Å; E784-N786 PolarHBondContact O-N 2.91Å; E784-N786 PolarHBondContact OE1-ND2 3.02Å; N786-H953 VanDerWaalsContact C-CD2 3.45Å; N786-H953 VanDerWaalsContact C-NE2 3.33Å; N786-H953 PolarHBondContact O-CE1 3.28Å; N786-H953 PolarHBondContact O-NE2 2.85Å
787	H	91	Very high	93.3	Very high	108 Å²	108	63.4 Å²	63.4	50%	0.5	33%	0.328	S	S	.	.			trans	-124.5	107.1	178.3	-179.4	76.2	0	0	0	110.5	E784 P789 Y916	E784-H787 HydrophobicContact CB-CB 4.1Å; E784-H787 HydrophobicContact CG-CB 4.21Å; E784-H787 PolarHBondContact O-N 2.79Å; H787-P789 WeakPolarHBondContact O-CD 3.18Å; H787-Y916 PolarHBondContact O-OH 2.73Å
788	V	92	Very high	93	Very high	3 Å²	3	67.6 Å²	67.6	2%	0.018	35%	0.348	C	S	.	.	P	Polyproline II helix	trans	-83.5	116.6	163.5	178	0	0	0	0	108	Y916 L954 R957	V788-Y916 HydrophobicContact CG1-CD1 4.34Å; V788-Y916 HydrophobicContact CG2-CD1 4.25Å; V788-Y916 HydrophobicContact CG2-CE1 4.15Å; V788-L954 HydrophobicContact CG1-CD1 3.88Å; V788-L954 HydrophobicContact CG2-CB 4.24Å; V788-L954 HydrophobicContact CG2-CD1 3.99Å; V788-R957 VanDerWaalsContact CB-NH1 3.28Å; V788-R957 HydrophobicContact CG2-CB 4.41Å; V788-R957 PolarHBondContact O-NH1 3.45Å
789	P	91.7	Very high	92.8	Very high	22 Å²	22	68.4 Å²	68.4	14%	0.143	35%	0.351	C	S	.	.	P	Polyproline II helix	trans	-62.2	162.1	179.3	-23.5	35.4	0	0	0	113.2	H787 F795 Y916	H787-P789 WeakPolarHBondContact O-CD 3.18Å; P789-F795 HydrophobicContact CB-CD2 4.32Å; P789-F795 HydrophobicContact CB-CE2 3.5Å; P789-F795 VanDerWaalsContact CB-CE2 3.5Å; P789-F795 HydrophobicContact CB-CZ 4.31Å; P789-F795 HydrophobicContact CG-CE2 4.02Å; P789-F795 HydrophobicContact CG-CZ 4.48Å; P789-Y916 HydrophobicContact CG-CD2 3.92Å; P789-Y916 HydrophobicContact CG-CE2 4.18Å
790	V	90.4	Very high	92.7	Very high	112 Å²	112	60.7 Å²	60.7	68%	0.679	32%	0.315	S	S	*	.	P	Polyproline II helix	trans	-86.5	127.4	169.8	-179.9	0	0	0	0	108.9	S792	V790-S792 PolarHBondContact O-N 3.04Å
791	Y	92.7	Very high	92.5	Very high	89 Å²	89	61 Å²	61	35%	0.349	32%	0.316	S	S	.	.			trans	-78.7	100.4	178.4	-48.3	-32.5	0	0	0	109.8	F795 Y916 D917 Q920	Y791-F795 HydrophobicContact CD1-CD1 4.11Å; Y791-F795 HydrophobicContact CD1-CD2 4.14Å; Y791-F795 AromaticContact CD1-CE1 3.93Å; Y791-F795 HydrophobicContact CD1-CE1 3.93Å; Y791-F795 AromaticContact CD1-CE2 3.98Å; Y791-F795 HydrophobicContact CD1-CE2 3.98Å; Y791-F795 HydrophobicContact CD1-CG 4.2Å; Y791-F795 AromaticContact CD1-CZ 3.83Å; Y791-F795 HydrophobicContact CD1-CZ 3.83Å; Y791-F795 HydrophobicContact CE1-CE1 4.25Å; Y791-F795 HydrophobicContact CE1-CE2 4.39Å; Y791-F795 AromaticContact CE1-CZ 3.97Å; Y791-F795 HydrophobicContact CE1-CZ 3.97Å; Y791-Y916 PolarHBondContact OH-O 3.11Å; Y791-D917 HydrophobicContact CD1-CB 4.08Å; Y791-D917 HydrophobicContact CD2-CB 4.4Å; Y791-D917 HydrophobicContact CE1-CB 3.9Å; Y791-D917 HydrophobicContact CE2-CB 4.22Å; Y791-D917 HydrophobicContact CG-CB 4.35Å; Y791-D917 PolarHBondContact OH-N 3.35Å; Y791-Q920 VanDerWaalsContact CE2-OE1 3.25Å; Y791-Q920 PolarHBondContact OH-OE1 3.11Å
792	S	91.6	Very high	92.3	Very high	53 Å²	53	64.2 Å²	64.2	37%	0.371	33%	0.332	S	S	.	.			trans	-95.1	170.2	168.7	67	0	0	0	0	111.1	V790 N794 F795	V790-S792 PolarHBondContact O-N 3.04Å; S792-N794 PolarHBondContact O-N 2.92Å; S792-N794 VanDerWaalsContact O-N 3.15Å; S792-F795 WeakPolarHBondContact O-CB 3.46Å; S792-F795 PolarHBondContact O-N 3.45Å; S792-F795 PolarHBondContact OG-N 3.19Å
793	D	90.3	Very high	92.4	Very high	174 Å²	174	60.4 Å²	60.4	93%	0.93	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	-28.3	175.4	-63.2	-22.9	0	0	0	112.6
794	N	91.5	Very high	92.7	Very high	80 Å²	80	59.6 Å²	59.6	43%	0.428	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.4	13.8	178.5	-65.1	-26.2	0	0	0	113.2	M582 S792 V796 M797 Q798	M582-N794 HydrophobicContact CB-CB 4.33Å; M582-N794 HydrophobicContact SD-CB 4.31Å; S792-N794 PolarHBondContact O-N 2.92Å; S792-N794 VanDerWaalsContact O-N 3.15Å; N794-V796 VanDerWaalsContact C-N 3.33Å; N794-V796 PolarHBondContact O-N 2.91Å; N794-M797 PolarHBondContact O-N 3.45Å; N794-Q798 PolarHBondContact O-N 3.43Å
795	F	93.6	Very high	93	Very high	11 Å²	11	54 Å²	54	5%	0.048	28%	0.282	C	S	.	.	H	α-helix	trans	-49.9	-48.7	-170.8	169	-115.2	0	0	0	113.6	P789 Y791 S792 M797 Q798 Q799 D917	P789-F795 HydrophobicContact CB-CD2 4.32Å; P789-F795 HydrophobicContact CB-CE2 3.5Å; P789-F795 VanDerWaalsContact CB-CE2 3.5Å; P789-F795 HydrophobicContact CB-CZ 4.31Å; P789-F795 HydrophobicContact CG-CE2 4.02Å; P789-F795 HydrophobicContact CG-CZ 4.48Å; Y791-F795 HydrophobicContact CD1-CD1 4.11Å; Y791-F795 HydrophobicContact CD1-CD2 4.14Å; Y791-F795 AromaticContact CD1-CE1 3.93Å; Y791-F795 HydrophobicContact CD1-CE1 3.93Å; Y791-F795 AromaticContact CD1-CE2 3.98Å; Y791-F795 HydrophobicContact CD1-CE2 3.98Å; Y791-F795 HydrophobicContact CD1-CG 4.2Å; Y791-F795 AromaticContact CD1-CZ 3.83Å; Y791-F795 HydrophobicContact CD1-CZ 3.83Å; Y791-F795 HydrophobicContact CE1-CE1 4.25Å; Y791-F795 HydrophobicContact CE1-CE2 4.39Å; Y791-F795 AromaticContact CE1-CZ 3.97Å; Y791-F795 HydrophobicContact CE1-CZ 3.97Å; S792-F795 WeakPolarHBondContact O-CB 3.46Å; S792-F795 PolarHBondContact O-N 3.45Å; S792-F795 PolarHBondContact OG-N 3.19Å; F795-M797 VanDerWaalsContact C-N 3.34Å; F795-M797 PolarHBondContact O-N 3.09Å; F795-Q798 PolarHBondContact O-N 2.77Å; F795-Q799 HydrophobicContact CD2-CG 4.08Å; F795-Q799 HydrophobicContact CE2-CG 3.53Å; F795-Q799 HydrophobicContact CZ-CG 3.87Å; F795-Q799 WeakPolarHBondContact O-CG 3.29Å; F795-Q799 PolarHBondContact O-N 2.93Å; F795-D917 HydrophobicContact CD1-CB 4.29Å; F795-D917 HydrophobicContact CE1-CB 3.78Å; F795-D917 VanDerWaalsContact CE1-CG 3.49Å; F795-D917 WeakPolarHBondContact CE1-OD1 3.29Å
796	V	93.8	Very high	93.4	Very high	34 Å²	34	50.3 Å²	50.3	21%	0.206	26%	0.264	C	S	.	.	H	α-helix	trans	-60.7	-44.5	-178.4	-179.5	0	0	0	0	111.2	L584 N794 L800	L584-V796 HydrophobicContact CD2-CG1 4.45Å; N794-V796 VanDerWaalsContact C-N 3.33Å; N794-V796 PolarHBondContact O-N 2.91Å; V796-L800 HydrophobicContact CG1-CD1 4.21Å; V796-L800 VanDerWaalsContact O-CG 3.31Å; V796-L800 WeakPolarHBondContact O-CG 3.31Å; V796-L800 PolarHBondContact O-N 3.31Å; V796-L800 VanDerWaalsContact O-N 3.15Å
797	M	94.4	Very high	93.7	Very high	4 Å²	4	46 Å²	46	2%	0.02	24%	0.241	C	C	.	.	H	α-helix	trans	-70.1	-39.5	-179.9	-78.8	-61	-60.2	0	0	112.3	P581 M582 Y583 L584 N794 F795 Q799 L800 H801 L826 P827 F828	P581-M797 WeakPolarHBondContact O-CE 3.45Å; M582-M797 WeakPolarHBondContact O-CG 3.25Å; Y583-M797 VanDerWaalsContact O-CE 3.24Å; Y583-M797 WeakPolarHBondContact O-CE 3.41Å; L584-M797 HydrophobicContact CB-CG 3.67Å; L584-M797 HydrophobicContact CB-SD 3.84Å; L584-M797 HydrophobicContact CD1-CG 4.2Å; L584-M797 HydrophobicContact CD1-SD 3.51Å; L584-M797 VanDerWaalsContact CD1-SD 3.51Å; L584-M797 HydrophobicContact CG-CG 4.47Å; L584-M797 HydrophobicContact CG-SD 4.27Å; N794-M797 PolarHBondContact O-N 3.45Å; F795-M797 VanDerWaalsContact C-N 3.34Å; F795-M797 PolarHBondContact O-N 3.09Å; M797-Q799 VanDerWaalsContact C-N 3.34Å; M797-Q799 PolarHBondContact O-N 3.01Å; M797-L800 PolarHBondContact O-N 3.39Å; M797-L800 HydrophobicContact SD-CD1 4.13Å; M797-H801 VanDerWaalsContact O-CB 3.32Å; M797-H801 WeakPolarHBondContact O-CB 3.4Å; M797-H801 PolarHBondContact O-N 3.4Å; M797-L826 HydrophobicContact CE-CD2 3.83Å; M797-L826 HydrophobicContact SD-CD2 3.82Å; M797-P827 HydrophobicContact CE-CG 3.98Å; M797-F828 HydrophobicContact CE-CE1 3.65Å; M797-F828 HydrophobicContact CE-CZ 4.2Å
798	Q	93.7	Very high	94.1	Very high	88 Å²	88	40.9 Å²	40.9	41%	0.411	22%	0.217	S	C	.	.	H	α-helix	trans	-60.1	-45.3	175.8	-174.8	163.1	20.9	0	0	111.3	N794 F795 L800 H801 D802	N794-Q798 PolarHBondContact O-N 3.43Å; F795-Q798 PolarHBondContact O-N 2.77Å; Q798-L800 PolarHBondContact O-N 2.92Å; Q798-H801 PolarHBondContact O-N 3.44Å; Q798-D802 WeakPolarHBondContact CG-OD2 3.42Å; Q798-D802 WeakPolarHBondContact O-CB 3.21Å; Q798-D802 PolarHBondContact O-N 2.96Å
799	Q	94	Very high	94.4	Very high	22 Å²	22	41.3 Å²	41.3	10%	0.103	22%	0.22	C	C	.	.	H	α-helix	trans	-60.7	-44.1	175.3	-72.6	-167.4	-58.7	0	0	112.9	F795 M797 H801 D802 T803 P913 F914	F795-Q799 HydrophobicContact CD2-CG 4.08Å; F795-Q799 HydrophobicContact CE2-CG 3.53Å; F795-Q799 HydrophobicContact CZ-CG 3.87Å; F795-Q799 WeakPolarHBondContact O-CG 3.29Å; F795-Q799 PolarHBondContact O-N 2.93Å; M797-Q799 VanDerWaalsContact C-N 3.34Å; M797-Q799 PolarHBondContact O-N 3.01Å; Q799-H801 VanDerWaalsContact C-N 3.27Å; Q799-H801 PolarHBondContact O-N 3.38Å; Q799-D802 PolarHBondContact O-N 2.91Å; Q799-T803 WeakPolarHBondContact O-CB 3.38Å; Q799-T803 WeakPolarHBondContact O-CG2 3.3Å; Q799-T803 PolarHBondContact O-N 3.44Å; Q799-T803 VanDerWaalsContact O-N 3.09Å; Q799-P913 HydrophobicContact CB-CB 3.69Å; Q799-P913 HydrophobicContact CB-CG 3.83Å; Q799-P913 HydrophobicContact CG-CB 4.32Å; Q799-P913 WeakPolarHBondContact O-CG 3.48Å; Q799-F914 PolarHBondContact NE2-O 3.06Å
800	L	95.5	Very high	94.7	Very high	1 Å²	1	40.4 Å²	40.4	1%	0.005	21%	0.213	C	C	.	.	H	α-helix	trans	-64.8	-33.6	177.9	-69.6	170.3	0	0	0	112	L584 V796 M797 Q798 I806 L826 F828 P913	L584-L800 HydrophobicContact CD1-CD1 4.45Å; V796-L800 HydrophobicContact CG1-CD1 4.21Å; V796-L800 VanDerWaalsContact O-CG 3.31Å; V796-L800 WeakPolarHBondContact O-CG 3.31Å; V796-L800 PolarHBondContact O-N 3.31Å; V796-L800 VanDerWaalsContact O-N 3.15Å; M797-L800 PolarHBondContact O-N 3.39Å; M797-L800 HydrophobicContact SD-CD1 4.13Å; Q798-L800 PolarHBondContact O-N 2.92Å; L800-I806 HydrophobicContact CD2-CD1 3.7Å; L800-I806 HydrophobicContact CD2-CG1 3.94Å; L800-L826 HydrophobicContact CD1-CD2 4.27Å; L800-F828 HydrophobicContact CB-CE2 4.41Å; L800-F828 HydrophobicContact CB-CZ 3.86Å; L800-F828 WeakPolarHBondContact O-CE2 3.37Å; L800-P913 HydrophobicContact CD2-CG 4.41Å
801	H	93.4	Very high	95.1	Very high	52 Å²	52	35 Å²	35	24%	0.241	18%	0.181	C	C	.	.	H	α-helix	trans	-72.2	-41.7	177.5	179.1	-86	0	0	0	112.1	M582 M797 Q798 Q799 F828 K830	M582-H801 HydrophobicContact CE-CB 4.33Å; M797-H801 VanDerWaalsContact O-CB 3.32Å; M797-H801 WeakPolarHBondContact O-CB 3.4Å; M797-H801 PolarHBondContact O-N 3.4Å; Q798-H801 PolarHBondContact O-N 3.44Å; Q799-H801 VanDerWaalsContact C-N 3.27Å; Q799-H801 PolarHBondContact O-N 3.38Å; H801-F828 HydrophobicContact CB-CE1 3.9Å; H801-F828 HydrophobicContact CB-CZ 3.98Å; H801-F828 AromaticContact CD2-CD1 3.92Å; H801-K830 WeakPolarHBondContact O-CE 3.43Å; H801-K830 PolarHBondContact O-NZ 3.28Å
802	D	92.4	Very high	95.4	Very high	87 Å²	87	31.8 Å²	31.8	47%	0.465	17%	0.17	S	C	.	.	H	α-helix	trans	-85.1	-27	-170.8	-64	-13.3	0	0	0	113.2	N782 Q798 Q799	N782-D802 PolarHBondContact ND2-O 2.74Å; Q798-D802 WeakPolarHBondContact CG-OD2 3.42Å; Q798-D802 WeakPolarHBondContact O-CB 3.21Å; Q798-D802 PolarHBondContact O-N 2.96Å; Q799-D802 PolarHBondContact O-N 2.91Å
803	T	95.3	Very high	95.7	Very high	6 Å²	6	29.2 Å²	29.2	4%	0.037	15%	0.153	C	C	.	.	S	Bend	trans	-66.5	148.6	178	-168.6	0	0	0	0	112.4	N782 Q799 W805 I806 K830 P913	N782-T803 WeakPolarHBondContact OD1-CA 3.31Å; Q799-T803 WeakPolarHBondContact O-CB 3.38Å; Q799-T803 WeakPolarHBondContact O-CG2 3.3Å; Q799-T803 PolarHBondContact O-N 3.44Å; Q799-T803 VanDerWaalsContact O-N 3.09Å; T803-W805 VanDerWaalsContact C-N 3.33Å; T803-W805 VanDerWaalsContact CG2-O 3.23Å; T803-W805 WeakPolarHBondContact CG2-O 3.37Å; T803-W805 PolarHBondContact OG1-O 2.92Å; T803-I806 HydrophobicContact CG2-CG1 4.5Å; T803-K830 VanDerWaalsContact O-CD 3.3Å; T803-K830 WeakPolarHBondContact O-CD 3.45Å; T803-K830 WeakPolarHBondContact O-CE 3.34Å; T803-K830 PolarHBondContact O-NZ 3.13Å; T803-P913 HydrophobicContact CG2-CG 3.71Å
804	N	96.6	Very high	96.1	Very high	21 Å²	21	21.1 Å²	21.1	11%	0.112	11%	0.11	C	C	.	.	S	Bend	trans	-69.5	-30.6	175.6	63.7	-40.9	0	0	0	113.1	S742 M780 C781 N782	S742-N804 PolarHBondContact O-ND2 3.5Å; M780-N804 PolarHBondContact O-ND2 3.16Å; C781-N804 WeakPolarHBondContact CA-OD1 3.38Å; N782-N804 HydrophobicContact CB-CB 4.41Å; N782-N804 PolarHBondContact N-OD1 2.76Å; N782-N804 PolarHBondContact ND2-N 3.46Å; N782-N804 PolarHBondContact OD1-N 3.21Å; N782-N804 PolarHBondContact OD1-OD1 3.25Å
805	W	97.6	Very high	96.4	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	9%	0.09	C	C	.	.			trans	-160.4	171.4	178	53.7	18.4	0	0	0	111.9	I737 I741 F777 M780 C781 T803 P831 I833 T912	I737-W805 HydrophobicContact CG2-CH2 4.04Å; I737-W805 HydrophobicContact CG2-CZ3 4.08Å; I741-W805 HydrophobicContact CB-CZ3 4.42Å; I741-W805 HydrophobicContact CG2-CE3 3.91Å; I741-W805 HydrophobicContact CG2-CZ3 4.02Å; F777-W805 HydrophobicContact CB-CZ2 4.39Å; F777-W805 AromaticContact CD1-CH2 3.91Å; F777-W805 HydrophobicContact CD1-CH2 3.91Å; F777-W805 HydrophobicContact CD1-CZ2 4.27Å; F777-W805 HydrophobicContact CD1-CZ3 4.37Å; F777-W805 VanDerWaalsContact O-CZ2 3.3Å; F777-W805 WeakPolarHBondContact O-CZ2 3.21Å; M780-W805 HydrophobicContact CB-CH2 4.02Å; M780-W805 HydrophobicContact CB-CZ2 3.61Å; M780-W805 HydrophobicContact CE-CH2 3.76Å; M780-W805 HydrophobicContact CE-CZ2 4.26Å; M780-W805 HydrophobicContact SD-CH2 4.29Å; C781-W805 PolarHBondContact SG-NE1 2.64Å; T803-W805 VanDerWaalsContact C-N 3.33Å; T803-W805 VanDerWaalsContact CG2-O 3.23Å; T803-W805 WeakPolarHBondContact CG2-O 3.37Å; T803-W805 PolarHBondContact OG1-O 2.92Å; W805-P831 WeakPolarHBondContact CA-O 3.42Å; W805-P831 HydrophobicContact CB-CB 3.99Å; W805-P831 HydrophobicContact CB-CG 4.37Å; W805-P831 WeakPolarHBondContact CB-O 3.34Å; W805-I833 HydrophobicContact CD2-CG1 4.43Å; W805-I833 HydrophobicContact CE3-CD1 4.32Å; W805-I833 HydrophobicContact CE3-CG1 4.31Å; W805-T912 WeakPolarHBondContact O-CG2 3.35Å
806	I	98.4	Very high	96.7	Very high	0 Å²	0	17 Å²	17	0%	0	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	133.8	177.6	-58.1	164.5	0	0	0	108.5	L800 T803 L826 K830 P831 L832 I833 Q910	L800-I806 HydrophobicContact CD2-CD1 3.7Å; L800-I806 HydrophobicContact CD2-CG1 3.94Å; T803-I806 HydrophobicContact CG2-CG1 4.5Å; I806-L826 HydrophobicContact CD1-CD1 4.45Å; I806-K830 HydrophobicContact CD1-CB 4.4Å; I806-K830 HydrophobicContact CG1-CB 4.47Å; I806-P831 PolarHBondContact N-O 3.44Å; I806-L832 HydrophobicContact CB-CD1 3.79Å; I806-L832 HydrophobicContact CG2-CD1 3.61Å; I806-L832 WeakPolarHBondContact O-CA 3.33Å; I806-I833 PolarHBondContact O-N 2.56Å; I806-Q910 HydrophobicContact CG2-CG 4.35Å
807	I	98.6	Very high	96.9	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	124.2	176.3	-58.3	170.2	0	0	0	109	F777 L778 C781 I833 F835 L911 T912	F777-I807 HydrophobicContact CB-CD1 3.69Å; L778-I807 HydrophobicContact CD2-CD1 3.86Å; L778-I807 HydrophobicContact CG-CD1 4.36Å; C781-I807 VanDerWaalsContact SG-CD1 3.58Å; I807-I833 WeakPolarHBondContact CA-O 3.4Å; I807-I833 HydrophobicContact CG1-CB 4.12Å; I807-I833 HydrophobicContact CG1-CG1 4.21Å; I807-F835 HydrophobicContact CG2-CD2 4.08Å; I807-F835 HydrophobicContact CG2-CE2 3.35Å; I807-F835 HydrophobicContact CG2-CZ 4.23Å; I807-L911 HydrophobicContact CG2-CB 4.39Å; I807-L911 HydrophobicContact CG2-CD1 4.31Å; I807-L911 PolarHBondContact O-N 3.33Å; I807-T912 HydrophobicContact CB-CG2 3.59Å; I807-T912 HydrophobicContact CD1-CG2 3.67Å; I807-T912 HydrophobicContact CG1-CG2 3.46Å; I807-T912 VanDerWaalsContact CG1-CG2 3.46Å; I807-T912 PolarHBondContact N-O 3.34Å; I807-T912 PolarHBondContact O-N 2.79Å
808	A	98.7	Very high	97.1	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	149.1	-180	0	0	0	0	0	112.8	I819 I833 V834 F835 E909	A808-I819 HydrophobicContact CB-CD1 3.39Å; A808-I833 PolarHBondContact N-O 2.84Å; A808-V834 WeakPolarHBondContact O-CA 3.37Å; A808-F835 PolarHBondContact O-N 3.29Å; A808-E909 CarbonylContact C-O 3.37Å; A808-E909 WeakPolarHBondContact CA-O 3.19Å; A808-E909 WeakPolarHBondContact CB-O 3.34Å
809	N	98.5	Very high	97.3	Very high	12 Å²	12	11.1 Å²	11.1	6%	0.064	6%	0.058	C	C	.	.			trans	-132.9	73.7	174.3	-172.6	3.1	0	0	0	107.7	F835 S883 G884 E909 L911	N809-F835 HydrophobicContact CB-CB 4.23Å; N809-F835 HydrophobicContact CB-CD2 4.35Å; N809-F835 PolarHBondContact OD1-O 3.18Å; N809-S883 WeakPolarHBondContact CB-OG 3.43Å; N809-G884 VanDerWaalsContact CG-CA 3.45Å; N809-G884 WeakPolarHBondContact ND2-CA 3.19Å; N809-G884 VanDerWaalsContact OD1-CA 3.32Å; N809-G884 WeakPolarHBondContact OD1-CA 3.41Å; N809-E909 PolarHBondContact N-O 3Å; N809-L911 HydrophobicContact CB-CD1 4.47Å
810	C	98.4	Very high	97.5	Very high	2 Å²	2	10 Å²	10	1%	0.014	5%	0.053	C	C	.	.			trans	-64.6	147.2	-171	-63	0	0	0	0	111	W632 N815 E909	W632-C810 HydrophobicContact CH2-CB 3.8Å; W632-C810 WeakPolarHBondContact CH2-O 3.48Å; W632-C810 HydrophobicContact CZ2-CB 4.36Å; C810-N815 HydrophobicContact CB-CB 4.35Å; C810-E909 VanDerWaalsContact CA-OE2 3.23Å; C810-E909 WeakPolarHBondContact CA-OE2 3.32Å
811	T	98.4	Very high	97.7	Very high	0 Å²	0	10.3 Å²	10.3	0%	0	5%	0.054	C	C	.	.			trans	-109.8	-16.9	175.3	58.4	0	0	0	0	113.7	G884 Y888 R907 E909	T811-G884 VanDerWaalsContact CG2-O 3.23Å; T811-G884 WeakPolarHBondContact CG2-O 3.32Å; T811-Y888 PolarHBondContact O-OH 3.32Å; T811-R907 VanDerWaalsContact OG1-CD 3.32Å; T811-R907 WeakPolarHBondContact OG1-CD 3.01Å; T811-R907 PolarHBondContact OG1-NH1 3.08Å; T811-E909 VanDerWaalsContact CB-OE1 3.27Å; T811-E909 WeakPolarHBondContact CB-OE1 3.43Å; T811-E909 WeakPolarHBondContact CG2-OE1 3.45Å; T811-E909 PolarHBondContact N-OE1 3.33Å; T811-E909 PolarHBondContact N-OE2 2.74Å; T811-E909 PolarHBondContact OG1-OE1 3.17Å
812	T	98.4	Very high	97.9	Very high	20 Å²	20	8.4 Å²	8.4	12%	0.123	5%	0.045	C	C	.	.	S	Bend	trans	-121.8	148.5	-177.6	74.2	0	0	0	0	112.9	A814 N815 F816 I863	T812-A814 VanDerWaalsContact C-N 3.29Å; T812-A814 PolarHBondContact O-N 3.12Å; T812-N815 PolarHBondContact O-N 2.92Å; T812-N815 WeakPolarHBondContact OG1-CB 3.39Å; T812-N815 PolarHBondContact OG1-N 3.27Å; T812-F816 PolarHBondContact O-N 3.1Å; T812-I863 HydrophobicContact CG2-CD1 4.45Å
813	P	98.4	Very high	98.1	Very high	0 Å²	0	4.3 Å²	4.3	0%	0	2%	0.023	C	C	.	.	H	α-helix	trans	-57.3	-37.6	173.2	-28.3	37.3	0	0	0	114	N631 W632 F816 F817 A846 S848	N631-P813 VanDerWaalsContact C-CG 3.45Å; N631-P813 WeakPolarHBondContact O-CB 2.99Å; W632-P813 HydrophobicContact CE3-CG 4.36Å; P813-F816 PolarHBondContact O-N 2.95Å; P813-F817 WeakPolarHBondContact O-CB 3.46Å; P813-F817 PolarHBondContact O-N 3.22Å; P813-A846 WeakPolarHBondContact CG-O 3.49Å; P813-S848 WeakPolarHBondContact CD-OG 3.32Å
814	A	98.5	Very high	98.1	Very high	3 Å²	3	4.5 Å²	4.5	3%	0.025	2%	0.024	C	C	.	.	H	α-helix	trans	-64.3	-41.8	177.4	0	0	0	0	0	112.8	T812 F816 F817 H818 S848 D852 M853	T812-A814 VanDerWaalsContact C-N 3.29Å; T812-A814 PolarHBondContact O-N 3.12Å; A814-F816 VanDerWaalsContact C-N 3.33Å; A814-F816 PolarHBondContact O-N 3.38Å; A814-F817 WeakPolarHBondContact O-CB 3.4Å; A814-F817 PolarHBondContact O-N 3.27Å; A814-H818 PolarHBondContact O-CD2 3.34Å; A814-H818 PolarHBondContact O-N 3.31Å; A814-S848 WeakPolarHBondContact CB-OG 3.16Å; A814-S848 PolarHBondContact N-OG 3.23Å; A814-S848 VanDerWaalsContact N-OG 3.09Å; A814-D852 HydrophobicContact CB-CB 3.67Å; A814-D852 WeakPolarHBondContact CB-O 3.37Å; A814-M853 HydrophobicContact CB-CG 3.92Å
815	N	98.2	Very high	98	Very high	4 Å²	4	6 Å²	6	2%	0.021	3%	0.031	C	C	.	.	H	α-helix	trans	-64.3	-39.5	175	-101.6	10.5	0	0	0	111.8	C810 T812 F817 H818 I819 F859 Q860 E909	C810-N815 HydrophobicContact CB-CB 4.35Å; T812-N815 PolarHBondContact O-N 2.92Å; T812-N815 WeakPolarHBondContact OG1-CB 3.39Å; T812-N815 PolarHBondContact OG1-N 3.27Å; N815-F817 VanDerWaalsContact C-N 3.33Å; N815-H818 PolarHBondContact O-N 2.66Å; N815-I819 WeakPolarHBondContact O-CB 3.24Å; N815-I819 WeakPolarHBondContact O-CG2 3.39Å; N815-I819 PolarHBondContact O-N 2.81Å; N815-F859 HydrophobicContact CB-CD2 4.06Å; N815-F859 HydrophobicContact CB-CE2 4.02Å; N815-F859 WeakPolarHBondContact O-CD2 3.37Å; N815-Q860 PolarHBondContact ND2-O 2.99Å; N815-Q860 WeakPolarHBondContact OD1-CB 3.48Å; N815-Q860 PolarHBondContact OD1-N 3.48Å; N815-E909 VanDerWaalsContact ND2-CG 3.29Å; N815-E909 WeakPolarHBondContact ND2-CG 3.35Å; N815-E909 PolarHBondContact ND2-OE2 3.18Å
816	F	98.6	Very high	97.9	Very high	0 Å²	0	6 Å²	6	0%	0	3%	0.032	C	C	.	.	H	α-helix	trans	-64.5	-38.8	174.6	-170.6	-126.8	0	0	0	112	W632 E636 L757 T812 P813 A814 I819 L820 V834 T836	W632-F816 AromaticContact CD1-CD1 3.92Å; W632-F816 AromaticContact CE2-CD1 3.77Å; W632-F816 AromaticContact CE2-CG 3.87Å; W632-F816 HydrophobicContact CH2-CB 4.32Å; W632-F816 HydrophobicContact CZ2-CB 3.77Å; W632-F816 HydrophobicContact CZ2-CD1 4.14Å; W632-F816 HydrophobicContact CZ2-CD2 4.13Å; W632-F816 AromaticContact CZ2-CG 3.76Å; W632-F816 HydrophobicContact CZ2-CG 3.76Å; W632-F816 AromaticContact NE1-CD1 3.23Å; W632-F816 AromaticContact NE1-CE1 3.46Å; W632-F816 AromaticContact NE1-CG 3.78Å; E636-F816 HydrophobicContact CB-CD1 4.14Å; E636-F816 HydrophobicContact CB-CE1 3.77Å; E636-F816 HydrophobicContact CG-CE1 3.83Å; L757-F816 HydrophobicContact CD1-CZ 4.23Å; L757-F816 HydrophobicContact CD2-CE2 3.91Å; L757-F816 HydrophobicContact CD2-CZ 3.94Å; T812-F816 PolarHBondContact O-N 3.1Å; P813-F816 PolarHBondContact O-N 2.95Å; A814-F816 VanDerWaalsContact C-N 3.33Å; A814-F816 PolarHBondContact O-N 3.38Å; F816-I819 HydrophobicContact CD2-CG2 4.21Å; F816-I819 WeakPolarHBondContact O-CG2 3.38Å; F816-L820 HydrophobicContact CD1-CD1 4.19Å; F816-L820 HydrophobicContact CD2-CD1 4.39Å; F816-L820 HydrophobicContact CD2-CG 4.41Å; F816-L820 HydrophobicContact CE1-CD1 3.83Å; F816-L820 HydrophobicContact CE2-CD1 4.02Å; F816-L820 HydrophobicContact CE2-CD2 4.25Å; F816-L820 HydrophobicContact CE2-CG 4.11Å; F816-L820 HydrophobicContact CG-CD1 4.47Å; F816-L820 HydrophobicContact CZ-CD1 3.73Å; F816-L820 HydrophobicContact CZ-CD2 4.44Å; F816-L820 HydrophobicContact CZ-CG 4.31Å; F816-L820 WeakPolarHBondContact O-CG 3.5Å; F816-L820 PolarHBondContact O-N 3.27Å; F816-V834 HydrophobicContact CD2-CG1 4.17Å; F816-V834 HydrophobicContact CE2-CG1 4.01Å; F816-T836 HydrophobicContact CE2-CG2 4.21Å; F816-T836 HydrophobicContact CZ-CG2 4.29Å
817	F	98.7	Very high	97.7	Very high	0 Å²	0	6.7 Å²	6.7	0%	0	4%	0.036	C	C	.	.	H	α-helix	trans	-58.2	-52.2	172.2	166.4	-91.6	0	0	0	111.9	T587 V589 L594 F638 A639 P813 A814 N815 I819 L820 R821 M853	T587-F817 WeakPolarHBondContact O-CE1 3.41Å; V589-F817 HydrophobicContact CB-CZ 4.49Å; V589-F817 HydrophobicContact CG1-CZ 4.03Å; V589-F817 HydrophobicContact CG2-CE2 4.39Å; V589-F817 HydrophobicContact CG2-CZ 3.73Å; L594-F817 HydrophobicContact CD2-CE2 4.27Å; F638-F817 HydrophobicContact CB-CD2 3.79Å; F638-F817 HydrophobicContact CB-CE2 3.87Å; A639-F817 HydrophobicContact CB-CD2 3.8Å; A639-F817 HydrophobicContact CB-CE2 4.4Å; A639-F817 HydrophobicContact CB-CG 4.45Å; P813-F817 WeakPolarHBondContact O-CB 3.46Å; P813-F817 PolarHBondContact O-N 3.22Å; A814-F817 WeakPolarHBondContact O-CB 3.4Å; A814-F817 PolarHBondContact O-N 3.27Å; N815-F817 VanDerWaalsContact C-N 3.33Å; F817-I819 PolarHBondContact O-N 2.99Å; F817-L820 PolarHBondContact O-N 3.4Å; F817-R821 HydrophobicContact CZ-CG 4.49Å; F817-R821 PolarHBondContact O-N 3.03Å; F817-M853 HydrophobicContact CB-CG 4.3Å; F817-M853 HydrophobicContact CB-SD 3.97Å; F817-M853 HydrophobicContact CD1-CB 3.92Å; F817-M853 HydrophobicContact CD1-CG 3.63Å; F817-M853 HydrophobicContact CD1-SD 4.17Å; F817-M853 HydrophobicContact CD2-SD 4.16Å; F817-M853 HydrophobicContact CE1-CB 3.82Å; F817-M853 HydrophobicContact CE1-CG 4.08Å; F817-M853 HydrophobicContact CG-CG 3.95Å; F817-M853 HydrophobicContact CG-SD 3.85Å; F817-M853 HydrophobicContact CZ-CB 4.32Å
818	H	98.7	Very high	97.5	Very high	2 Å²	2	6.9 Å²	6.9	1%	0.009	4%	0.037	C	C	.	.	H	α-helix	trans	-66.4	-40.4	-176.6	-75.4	-62.7	0	0	0	113.1	T587 A814 N815 L820 R821 R822 D852 S857 F859	T587-H818 WeakPolarHBondContact CB-ND1 3.38Å; T587-H818 PolarHBondContact OG1-ND1 3.05Å; A814-H818 PolarHBondContact O-CD2 3.34Å; A814-H818 PolarHBondContact O-N 3.31Å; N815-H818 PolarHBondContact O-N 2.66Å; H818-L820 VanDerWaalsContact C-N 3.33Å; H818-L820 PolarHBondContact O-N 3.13Å; H818-R821 PolarHBondContact O-N 3.49Å; H818-R822 VanDerWaalsContact O-CB 3.25Å; H818-R822 WeakPolarHBondContact O-CB 3.32Å; H818-R822 PolarHBondContact O-N 3Å; H818-D852 PolarHBondContact NE2-O 2.82Å; H818-S857 VanDerWaalsContact CE1-C 3.47Å; H818-S857 PolarHBondContact CE1-O 3.34Å; H818-S857 PolarHBondContact CE1-OG 2.92Å; H818-S857 PolarHBondContact NE2-OG 3.33Å; H818-F859 HydrophobicContact CB-CB 3.69Å
819	I	98.3	Very high	97.4	Very high	1 Å²	1	7.1 Å²	7.1	1%	0.005	4%	0.038	C	C	.	.	H	α-helix	trans	-67.3	-36.3	-177.1	-158.4	172.1	0	0	0	111.9	A808 N815 F816 F817 Q823 L832 F859	A808-I819 HydrophobicContact CB-CD1 3.39Å; N815-I819 WeakPolarHBondContact O-CB 3.24Å; N815-I819 WeakPolarHBondContact O-CG2 3.39Å; N815-I819 PolarHBondContact O-N 2.81Å; F816-I819 HydrophobicContact CD2-CG2 4.21Å; F816-I819 WeakPolarHBondContact O-CG2 3.38Å; F817-I819 PolarHBondContact O-N 2.99Å; I819-Q823 WeakPolarHBondContact O-CB 3.5Å; I819-Q823 PolarHBondContact O-N 2.98Å; I819-L832 HydrophobicContact CD1-CD1 3.62Å; I819-L832 HydrophobicContact CD1-CD2 4.36Å; I819-L832 HydrophobicContact CG1-CD1 4.04Å; I819-L832 HydrophobicContact CG1-CD2 3.99Å; I819-L832 HydrophobicContact CG2-CD2 4.5Å; I819-F859 HydrophobicContact CB-CD2 3.7Å; I819-F859 HydrophobicContact CB-CE2 3.86Å; I819-F859 HydrophobicContact CB-CG 4.33Å; I819-F859 HydrophobicContact CD1-CD2 4.39Å; I819-F859 HydrophobicContact CD1-CE1 4.39Å; I819-F859 HydrophobicContact CD1-CE2 3.81Å; I819-F859 HydrophobicContact CD1-CZ 3.8Å; I819-F859 HydrophobicContact CG1-CD2 4.23Å; I819-F859 HydrophobicContact CG1-CE2 4.15Å; I819-F859 HydrophobicContact CG1-CZ 4.43Å
820	L	98.5	Very high	97.3	Very high	0 Å²	0	6.8 Å²	6.8	0%	0	4%	0.036	C	C	.	.	H	α-helix	trans	-67	-40.3	175.2	-70.2	174.7	0	0	0	111.9	A639 Y640 V755 F816 F817 H818 Q823	A639-L820 HydrophobicContact CB-CB 3.98Å; A639-L820 HydrophobicContact CB-CD1 3.93Å; Y640-L820 HydrophobicContact CE1-CD1 3.9Å; V755-L820 HydrophobicContact CG1-CD2 4.25Å; F816-L820 HydrophobicContact CD1-CD1 4.19Å; F816-L820 HydrophobicContact CD2-CD1 4.39Å; F816-L820 HydrophobicContact CD2-CG 4.41Å; F816-L820 HydrophobicContact CE1-CD1 3.83Å; F816-L820 HydrophobicContact CE2-CD1 4.02Å; F816-L820 HydrophobicContact CE2-CD2 4.25Å; F816-L820 HydrophobicContact CE2-CG 4.11Å; F816-L820 HydrophobicContact CG-CD1 4.47Å; F816-L820 HydrophobicContact CZ-CD1 3.73Å; F816-L820 HydrophobicContact CZ-CD2 4.44Å; F816-L820 HydrophobicContact CZ-CG 4.31Å; F816-L820 WeakPolarHBondContact O-CG 3.5Å; F816-L820 PolarHBondContact O-N 3.27Å; F817-L820 PolarHBondContact O-N 3.4Å; H818-L820 VanDerWaalsContact C-N 3.33Å; H818-L820 PolarHBondContact O-N 3.13Å; L820-Q823 WeakPolarHBondContact O-CB 3.42Å
821	R	98.3	Very high	97.3	Very high	6 Å²	6	7 Å²	7	2%	0.023	4%	0.037	C	C	.	.	H	α-helix	trans	-69	-44.6	174.8	-70.7	179.5	57.8	68	5.6	111.7	T587 V589 A639 S642 L643 E646 F817 H818 Q823 I824 L825	T587-R821 HydrophobicContact CG2-CB 4.08Å; T587-R821 WeakPolarHBondContact O-CD 3.41Å; T587-R821 PolarHBondContact O-NE 3.08Å; V589-R821 VanDerWaalsContact CG1-NH2 3.32Å; A639-R821 HydrophobicContact CB-CG 4.37Å; S642-R821 VanDerWaalsContact CB-NH1 3.34Å; S642-R821 PolarHBondContact OG-NH1 3.44Å; L643-R821 HydrophobicContact CD1-CG 4.39Å; L643-R821 HydrophobicContact CD2-CG 4.19Å; L643-R821 HydrophobicContact CG-CG 4.15Å; E646-R821 IonicContact OE1-CZ 2.81Å; E646-R821 VanDerWaalsContact OE1-CZ 3.3Å; E646-R821 IonicContact OE1-NH1 2.98Å; E646-R821 PolarHBondContact OE1-NH1 3.2Å; E646-R821 IonicContact OE1-NH2 3.78Å; E646-R821 PolarHBondContact OE1-NH2 2.94Å; E646-R821 IonicContact OE2-CZ 3.58Å; E646-R821 IonicContact OE2-NH1 3.8Å; E646-R821 PolarHBondContact OE2-NH1 3.47Å; E646-R821 IonicContact OE2-NH2 3.51Å; E646-R821 PolarHBondContact OE2-NH2 3.39Å; F817-R821 HydrophobicContact CZ-CG 4.49Å; F817-R821 PolarHBondContact O-N 3.03Å; H818-R821 PolarHBondContact O-N 3.49Å; R821-Q823 PolarHBondContact O-N 3.38Å; R821-I824 PolarHBondContact O-N 3.48Å; R821-I824 VanDerWaalsContact O-N 3.15Å; R821-L825 HydrophobicContact CB-CD1 4.47Å; R821-L825 WeakPolarHBondContact O-CG 3.4Å; R821-L825 PolarHBondContact O-N 2.67Å
822	R	97.7	Very high	97.4	Very high	12 Å²	12	7 Å²	7	5%	0.045	4%	0.037	C	C	.	.	H	α-helix	trans	-52.9	-44.2	176	-172.7	177.2	67.1	168	2.6	110.9	T587 H818 I824 L825 L826	T587-R822 HydrophobicContact CG2-CB 3.91Å; H818-R822 VanDerWaalsContact O-CB 3.25Å; H818-R822 WeakPolarHBondContact O-CB 3.32Å; H818-R822 PolarHBondContact O-N 3Å; R822-I824 PolarHBondContact O-N 3.45Å; R822-I824 VanDerWaalsContact O-N 3.08Å; R822-L825 PolarHBondContact O-N 3.17Å; R822-L826 HydrophobicContact CG-CD1 4.32Å; R822-L826 HydrophobicContact CG-CD2 4.5Å; R822-L826 HydrophobicContact CG-CG 4.17Å; R822-L826 VanDerWaalsContact O-CG 3.24Å; R822-L826 WeakPolarHBondContact O-CG 3.46Å; R822-L826 PolarHBondContact O-N 3.24Å
823	Q	97	Very high	97.4	Very high	1 Å²	1	6 Å²	6	1%	0.005	3%	0.031	C	C	.	.	H	α-helix	trans	-50.4	-36.8	-178.9	-179	59.4	14.9	0	0	113.9	L719 G753 V755 I819 L820 R821 K830 L832	L719-Q823 HydrophobicContact CD1-CB 4.47Å; L719-Q823 HydrophobicContact CD1-CG 4.1Å; G753-Q823 PolarHBondContact O-NE2 2.81Å; V755-Q823 HydrophobicContact CG2-CG 3.84Å; I819-Q823 WeakPolarHBondContact O-CB 3.5Å; I819-Q823 PolarHBondContact O-N 2.98Å; L820-Q823 WeakPolarHBondContact O-CB 3.42Å; R821-Q823 PolarHBondContact O-N 3.38Å; Q823-K830 PolarHBondContact NE2-O 3.5Å; Q823-K830 PolarHBondContact OE1-O 2.87Å; Q823-L832 HydrophobicContact CB-CD2 4.21Å; Q823-L832 HydrophobicContact CG-CD2 4.34Å
824	I	95.2	Very high	97.4	Very high	10 Å²	10	6 Å²	6	5%	0.051	3%	0.031	C	C	.	.	H	α-helix	trans	-97.4	-32.2	-178.9	-54.9	-54.3	0	0	0	112.9	I648 A718 L719 R821 R822 L826 R829	I648-I824 HydrophobicContact CD1-CB 4.48Å; I648-I824 HydrophobicContact CD1-CG2 3.71Å; I648-I824 HydrophobicContact CG1-CG2 4.12Å; I648-I824 HydrophobicContact CG2-CG1 4.42Å; I648-I824 HydrophobicContact CG2-CG2 3.86Å; A718-I824 WeakPolarHBondContact O-CD1 3.44Å; L719-I824 HydrophobicContact CB-CD1 3.9Å; L719-I824 HydrophobicContact CB-CG1 3.81Å; L719-I824 HydrophobicContact CD1-CD1 3.85Å; L719-I824 HydrophobicContact CD1-CG1 3.9Å; L719-I824 HydrophobicContact CG-CD1 4.48Å; L719-I824 HydrophobicContact CG-CG1 4.35Å; R821-I824 PolarHBondContact O-N 3.48Å; R821-I824 VanDerWaalsContact O-N 3.15Å; R822-I824 PolarHBondContact O-N 3.45Å; R822-I824 VanDerWaalsContact O-N 3.08Å; I824-L826 VanDerWaalsContact C-N 3.26Å; I824-L826 PolarHBondContact O-N 2.83Å; I824-R829 PolarHBondContact O-NH1 3.35Å; I824-R829 PolarHBondContact O-NH2 3.02Å
825	L	95	Very high	97.4	Very high	52 Å²	52	6 Å²	6	27%	0.272	3%	0.03	S	C	.	.	H	α-helix	trans	-73.3	-18.4	179.8	-63.7	178.2	0	0	0	113	P585 N586 T587 R821 R822	P585-L825 HydrophobicContact CB-CB 3.7Å; P585-L825 HydrophobicContact CB-CD1 4.47Å; P585-L825 HydrophobicContact CG-CB 3.54Å; N586-L825 WeakPolarHBondContact O-CD1 3.34Å; T587-L825 HydrophobicContact CG2-CD1 4.09Å; R821-L825 HydrophobicContact CB-CD1 4.47Å; R821-L825 WeakPolarHBondContact O-CG 3.4Å; R821-L825 PolarHBondContact O-N 2.67Å; R822-L825 PolarHBondContact O-N 3.17Å
826	L	95.5	Very high	97.4	Very high	2 Å²	2	6.1 Å²	6.1	1%	0.01	3%	0.031	C	C	.	.	S	Bend	trans	-55.1	146	174.2	-77.8	167.7	0	0	0	111.6	M797 L800 I806 R822 I824 F828 R829	M797-L826 HydrophobicContact CE-CD2 3.83Å; M797-L826 HydrophobicContact SD-CD2 3.82Å; L800-L826 HydrophobicContact CD1-CD2 4.27Å; I806-L826 HydrophobicContact CD1-CD1 4.45Å; R822-L826 HydrophobicContact CG-CD1 4.32Å; R822-L826 HydrophobicContact CG-CD2 4.5Å; R822-L826 HydrophobicContact CG-CG 4.17Å; R822-L826 VanDerWaalsContact O-CG 3.24Å; R822-L826 WeakPolarHBondContact O-CG 3.46Å; R822-L826 PolarHBondContact O-N 3.24Å; I824-L826 VanDerWaalsContact C-N 3.26Å; I824-L826 PolarHBondContact O-N 2.83Å; L826-F828 WeakPolarHBondContact CB-O 3.2Å; L826-F828 HydrophobicContact CD1-CE2 4.24Å; L826-F828 HydrophobicContact CD2-CE1 4.45Å; L826-F828 HydrophobicContact CD2-CZ 4.09Å; L826-F828 PolarHBondContact O-N 3.06Å; L826-R829 PolarHBondContact O-NH1 3.41Å
827	P	94.4	Very high	97.4	Very high	13 Å²	13	6.6 Å²	6.6	8%	0.084	4%	0.035	C	C	.	.	S	Bend	trans	-74	-5	178.4	29.6	-33.8	0	0	0	113.6	K579 D580 M797	K579-P827 HydrophobicContact CB-CB 3.99Å; K579-P827 HydrophobicContact CD-CB 4.29Å; D580-P827 WeakPolarHBondContact O-CB 3.48Å; D580-P827 WeakPolarHBondContact O-CG 3.41Å; M797-P827 HydrophobicContact CE-CG 3.98Å
828	F	94.5	Very high	97.3	Very high	5 Å²	5	7 Å²	7	2%	0.022	4%	0.036	C	C	.	.	S	Bend	trans	-136.5	179.1	176.3	56.3	-98.8	0	0	0	110	M797 L800 H801 L826 K830	M797-F828 HydrophobicContact CE-CE1 3.65Å; M797-F828 HydrophobicContact CE-CZ 4.2Å; L800-F828 HydrophobicContact CB-CE2 4.41Å; L800-F828 HydrophobicContact CB-CZ 3.86Å; L800-F828 WeakPolarHBondContact O-CE2 3.37Å; H801-F828 HydrophobicContact CB-CE1 3.9Å; H801-F828 HydrophobicContact CB-CZ 3.98Å; H801-F828 AromaticContact CD2-CD1 3.92Å; L826-F828 WeakPolarHBondContact CB-O 3.2Å; L826-F828 HydrophobicContact CD1-CE2 4.24Å; L826-F828 HydrophobicContact CD2-CE1 4.45Å; L826-F828 HydrophobicContact CD2-CZ 4.09Å; L826-F828 PolarHBondContact O-N 3.06Å; F828-K830 HydrophobicContact CD2-CG 3.91Å; F828-K830 HydrophobicContact CE2-CG 3.75Å
829	R	96.2	Very high	97.2	Very high	5 Å²	5	9.3 Å²	9.3	2%	0.019	5%	0.053	C	C	.	.			trans	-122.6	134.7	175.7	-63.4	-66.4	174.5	-98.6	1.6	112.1	W572 F575 P716 Q751 S752 I824 L826	W572-R829 HydrophobicContact CH2-CB 4.02Å; W572-R829 HydrophobicContact CH2-CG 3.85Å; W572-R829 HydrophobicContact CZ3-CB 4.01Å; W572-R829 HydrophobicContact CZ3-CG 3.78Å; F575-R829 HydrophobicContact CE1-CG 4.5Å; F575-R829 HydrophobicContact CZ-CG 4.32Å; P716-R829 HydrophobicContact CB-CG 4.35Å; P716-R829 PolarHBondContact O-NE 3.09Å; P716-R829 PolarHBondContact O-NH2 3.4Å; Q751-R829 HydrophobicContact CB-CB 4.14Å; Q751-R829 WeakPolarHBondContact CB-O 3.33Å; S752-R829 CarbonylContact O-C 3.54Å; I824-R829 PolarHBondContact O-NH1 3.35Å; I824-R829 PolarHBondContact O-NH2 3.02Å; L826-R829 PolarHBondContact O-NH1 3.41Å
830	K	97.2	Very high	97.1	Very high	5 Å²	5	9.5 Å²	9.5	2%	0.022	5%	0.054	C	C	.	.			trans	-133.2	143.3	171.2	-67.8	-66.6	-177.8	168.5	0	109	S752 H801 T803 I806 Q823 F828	S752-K830 CarbonylContact O-C 3.48Å; S752-K830 VanDerWaalsContact O-CA 3.3Å; S752-K830 WeakPolarHBondContact O-CA 3.45Å; S752-K830 PolarHBondContact O-N 3.45Å; H801-K830 WeakPolarHBondContact O-CE 3.43Å; H801-K830 PolarHBondContact O-NZ 3.28Å; T803-K830 VanDerWaalsContact O-CD 3.3Å; T803-K830 WeakPolarHBondContact O-CD 3.45Å; T803-K830 WeakPolarHBondContact O-CE 3.34Å; T803-K830 PolarHBondContact O-NZ 3.13Å; I806-K830 HydrophobicContact CD1-CB 4.4Å; I806-K830 HydrophobicContact CG1-CB 4.47Å; Q823-K830 PolarHBondContact NE2-O 3.5Å; Q823-K830 PolarHBondContact OE1-O 2.87Å; F828-K830 HydrophobicContact CD2-CG 3.91Å; F828-K830 HydrophobicContact CE2-CG 3.75Å
831	P	98.6	Very high	97.1	Very high	6 Å²	6	9.9 Å²	9.9	4%	0.039	6%	0.056	C	C	.	.			trans	-58	145	170.8	-24	34.3	0	0	0	111.4	I741 S752 I754 W805 I806	I741-P831 HydrophobicContact CG2-CB 3.51Å; I741-P831 HydrophobicContact CG2-CG 3.75Å; I741-P831 WeakPolarHBondContact O-CG 3.12Å; S752-P831 WeakPolarHBondContact O-CD 3.45Å; S752-P831 VanDerWaalsContact O-N 3.1Å; I754-P831 HydrophobicContact CG2-CB 4.05Å; I754-P831 HydrophobicContact CG2-CG 4.43Å; I754-P831 WeakPolarHBondContact O-CA 3.49Å; W805-P831 WeakPolarHBondContact CA-O 3.42Å; W805-P831 HydrophobicContact CB-CB 3.99Å; W805-P831 HydrophobicContact CB-CG 4.37Å; W805-P831 WeakPolarHBondContact CB-O 3.34Å; I806-P831 PolarHBondContact N-O 3.44Å
832	L	98.8	Very high	96.9	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	118.8	177.6	172.6	63.9	0	0	0	109.9	I754 V755 L756 I806 I819 Q823 V834	I754-L832 PolarHBondContact O-N 3.29Å; V755-L832 CarbonylContact C-O 3.54Å; V755-L832 VanDerWaalsContact CA-O 3.28Å; V755-L832 WeakPolarHBondContact CA-O 3.28Å; V755-L832 HydrophobicContact CG1-CB 4.44Å; V755-L832 HydrophobicContact CG1-CD2 4.12Å; V755-L832 HydrophobicContact CG1-CG 4.26Å; V755-L832 HydrophobicContact CG2-CB 4.21Å; V755-L832 HydrophobicContact CG2-CD2 4.21Å; L756-L832 PolarHBondContact N-O 2.89Å; I806-L832 HydrophobicContact CB-CD1 3.79Å; I806-L832 HydrophobicContact CG2-CD1 3.61Å; I806-L832 WeakPolarHBondContact O-CA 3.33Å; I819-L832 HydrophobicContact CD1-CD1 3.62Å; I819-L832 HydrophobicContact CD1-CD2 4.36Å; I819-L832 HydrophobicContact CG1-CD1 4.04Å; I819-L832 HydrophobicContact CG1-CD2 3.99Å; I819-L832 HydrophobicContact CG2-CD2 4.5Å; Q823-L832 HydrophobicContact CB-CD2 4.21Å; Q823-L832 HydrophobicContact CG-CD2 4.34Å; L832-V834 HydrophobicContact CD1-CG2 4.02Å; L832-V834 HydrophobicContact CD2-CG2 3.96Å; L832-V834 HydrophobicContact CG-CG2 3.71Å
833	I	98.8	Very high	96.7	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	114.9	177.2	-42.4	-57.8	0	0	0	108	I741 L756 L758 F777 W805 I806 I807 A808 F835	I741-I833 HydrophobicContact CG2-CD1 4.48Å; L756-I833 HydrophobicContact CB-CD1 4.02Å; L756-I833 HydrophobicContact CD1-CD1 3.69Å; L756-I833 HydrophobicContact CG-CD1 3.74Å; L758-I833 HydrophobicContact CD1-CG2 3.69Å; F777-I833 HydrophobicContact CD1-CD1 4.38Å; F777-I833 HydrophobicContact CD1-CG1 4.05Å; F777-I833 HydrophobicContact CD1-CG2 3.85Å; F777-I833 HydrophobicContact CE1-CD1 4.24Å; F777-I833 HydrophobicContact CE1-CG1 4.36Å; F777-I833 HydrophobicContact CE1-CG2 3.9Å; F777-I833 HydrophobicContact CG-CG2 4.19Å; F777-I833 HydrophobicContact CZ-CG2 4.28Å; W805-I833 HydrophobicContact CD2-CG1 4.43Å; W805-I833 HydrophobicContact CE3-CD1 4.32Å; W805-I833 HydrophobicContact CE3-CG1 4.31Å; I806-I833 PolarHBondContact O-N 2.56Å; I807-I833 WeakPolarHBondContact CA-O 3.4Å; I807-I833 HydrophobicContact CG1-CB 4.12Å; I807-I833 HydrophobicContact CG1-CG1 4.21Å; A808-I833 PolarHBondContact N-O 2.84Å; I833-F835 HydrophobicContact CG2-CE1 4.47Å; I833-F835 HydrophobicContact CG2-CZ 4.13Å
834	V	98.8	Very high	96.6	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	119.9	179.2	-168.6	0	0	0	0	109.6	V755 L756 L757 L758 A808 F816 L832 T836	V755-V834 HydrophobicContact CG1-CG2 4.42Å; L756-V834 PolarHBondContact O-N 2.8Å; L757-V834 HydrophobicContact CD2-CB 3.97Å; L757-V834 HydrophobicContact CD2-CG2 4.2Å; L758-V834 PolarHBondContact N-O 2.83Å; A808-V834 WeakPolarHBondContact O-CA 3.37Å; F816-V834 HydrophobicContact CD2-CG1 4.17Å; F816-V834 HydrophobicContact CE2-CG1 4.01Å; L832-V834 HydrophobicContact CD1-CG2 4.02Å; L832-V834 HydrophobicContact CD2-CG2 3.96Å; L832-V834 HydrophobicContact CG-CG2 3.71Å; V834-T836 HydrophobicContact CB-CG2 4.19Å; V834-T836 HydrophobicContact CG1-CG2 3.9Å; V834-T836 PolarHBondContact O-N 3.46Å; V834-T836 VanDerWaalsContact O-N 3.12Å
835	F	98.8	Very high	96.5	Very high	1 Å²	1	26.8 Å²	26.8	0%	0.004	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	95.5	167.7	-60.2	-66.3	0	0	0	108.4	L758 H760 A772 I774 F777 I807 A808 N809 I833	L758-F835 HydrophobicContact CB-CD1 4.08Å; L758-F835 HydrophobicContact CB-CE1 4.41Å; L758-F835 HydrophobicContact CD1-CD1 4.33Å; L758-F835 HydrophobicContact CD1-CE1 3.83Å; L758-F835 CarbonylContact O-C 3.53Å; L758-F835 WeakPolarHBondContact O-CA 3.35Å; H760-F835 HydrophobicContact CB-CB 3.91Å; H760-F835 HydrophobicContact CB-CD1 4.29Å; A772-F835 HydrophobicContact CB-CD1 3.48Å; A772-F835 VanDerWaalsContact CB-CD1 3.48Å; A772-F835 HydrophobicContact CB-CE1 3.53Å; I774-F835 HydrophobicContact CB-CD2 4.41Å; I774-F835 HydrophobicContact CB-CE1 4.28Å; I774-F835 HydrophobicContact CB-CE2 3.85Å; I774-F835 HydrophobicContact CB-CZ 3.81Å; I774-F835 HydrophobicContact CD1-CB 4.22Å; I774-F835 HydrophobicContact CD1-CD1 4.12Å; I774-F835 HydrophobicContact CD1-CD2 3.59Å; I774-F835 HydrophobicContact CD1-CE1 4.47Å; I774-F835 HydrophobicContact CD1-CE2 3.95Å; I774-F835 HydrophobicContact CD1-CG 3.67Å; I774-F835 HydrophobicContact CD1-CZ 4.4Å; I774-F835 HydrophobicContact CG1-CD1 3.7Å; I774-F835 HydrophobicContact CG1-CD2 3.7Å; I774-F835 HydrophobicContact CG1-CE1 3.62Å; I774-F835 HydrophobicContact CG1-CE2 3.58Å; I774-F835 HydrophobicContact CG1-CG 3.75Å; I774-F835 HydrophobicContact CG1-CZ 3.57Å; I774-F835 HydrophobicContact CG2-CD2 4.14Å; I774-F835 HydrophobicContact CG2-CE2 3.5Å; I774-F835 HydrophobicContact CG2-CZ 3.9Å; F777-F835 HydrophobicContact CB-CZ 4.42Å; F777-F835 HydrophobicContact CD2-CE1 4.13Å; F777-F835 AromaticContact CD2-CZ 3.82Å; F777-F835 HydrophobicContact CD2-CZ 3.82Å; F777-F835 HydrophobicContact CE2-CE1 4.33Å; F777-F835 HydrophobicContact CE2-CZ 4.44Å; F777-F835 HydrophobicContact CG-CZ 4.28Å; I807-F835 HydrophobicContact CG2-CD2 4.08Å; I807-F835 HydrophobicContact CG2-CE2 3.35Å; I807-F835 HydrophobicContact CG2-CZ 4.23Å; A808-F835 PolarHBondContact O-N 3.29Å; N809-F835 HydrophobicContact CB-CB 4.23Å; N809-F835 HydrophobicContact CB-CD2 4.35Å; N809-F835 PolarHBondContact OD1-O 3.18Å; I833-F835 HydrophobicContact CG2-CE1 4.47Å; I833-F835 HydrophobicContact CG2-CZ 4.13Å
836	T	98.5	Very high	96.6	Very high	7 Å²	7	24.3 Å²	24.3	4%	0.043	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	155.7	-173.9	51.5	0	0	0	0	111	L757 L758 P759 H760 F816 V834	L757-T836 HydrophobicContact CB-CG2 3.85Å; L757-T836 HydrophobicContact CD2-CG2 3.76Å; L757-T836 HydrophobicContact CG-CG2 4.24Å; L758-T836 VanDerWaalsContact C-OG1 3.3Å; L758-T836 PolarHBondContact N-OG1 2.94Å; L758-T836 PolarHBondContact O-N 3.18Å; P759-T836 CarbonylContact C-O 3.47Å; P759-T836 VanDerWaalsContact CA-O 3.27Å; P759-T836 WeakPolarHBondContact CA-O 3.35Å; P759-T836 WeakPolarHBondContact CA-OG1 3.32Å; H760-T836 PolarHBondContact N-O 3.36Å; F816-T836 HydrophobicContact CE2-CG2 4.21Å; F816-T836 HydrophobicContact CZ-CG2 4.29Å; V834-T836 HydrophobicContact CB-CG2 4.19Å; V834-T836 HydrophobicContact CG1-CG2 3.9Å; V834-T836 PolarHBondContact O-N 3.46Å; V834-T836 VanDerWaalsContact O-N 3.12Å
837	P	97.5	Very high	96.7	Very high	11 Å²	11	28.8 Å²	28.8	7%	0.071	14%	0.143	C	C	.	.			trans	-83.9	165.8	-174.1	32.2	-37.1	0	0	0	113.4	W632 L840 L841	W632-P837 HydrophobicContact CD2-CG 3.42Å; W632-P837 VanDerWaalsContact CD2-CG 3.42Å; W632-P837 HydrophobicContact CE3-CG 3.67Å; W632-P837 HydrophobicContact CG-CG 3.99Å; W632-P837 HydrophobicContact CH2-CG 3.82Å; W632-P837 HydrophobicContact CZ2-CG 3.63Å; W632-P837 HydrophobicContact CZ3-CG 3.85Å; P837-L840 HydrophobicContact CB-CB 3.53Å; P837-L840 HydrophobicContact CB-CD1 4.15Å; P837-L840 HydrophobicContact CB-CG 3.99Å; P837-L840 HydrophobicContact CG-CB 4.14Å; P837-L841 HydrophobicContact CG-CD2 3.97Å; P837-L841 HydrophobicContact CG-CG 4.27Å
838	K	97.8	Very high	96.9	Very high	7 Å²	7	28.2 Å²	28.2	3%	0.03	14%	0.14	C	C	.	.	S	Bend	trans	-113.8	-67	167.1	-56.1	179.2	-74.4	160.6	0	110.9	F662 F726 P759 G761 E763 H769 L841	F662-K838 HydrophobicContact CE1-CB 4.14Å; F662-K838 HydrophobicContact CE1-CD 4.14Å; F662-K838 HydrophobicContact CE1-CG 3.95Å; F662-K838 HydrophobicContact CE2-CG 4.06Å; F662-K838 HydrophobicContact CZ-CB 4.17Å; F662-K838 HydrophobicContact CZ-CD 3.89Å; F662-K838 HydrophobicContact CZ-CG 3.54Å; F726-K838 HydrophobicContact CD1-CD 3.86Å; F726-K838 HydrophobicContact CE1-CD 3.58Å; P759-K838 HydrophobicContact CB-CD 4.46Å; P759-K838 HydrophobicContact CB-CG 4.02Å; G761-K838 VanDerWaalsContact O-CE 3.25Å; G761-K838 WeakPolarHBondContact O-CE 3.09Å; G761-K838 PolarHBondContact O-NZ 3.35Å; E763-K838 WeakPolarHBondContact OE2-CB 3.5Å; E763-K838 IonicContact OE2-NZ 3.77Å; H769-K838 PolarHBondContact O-NZ 3.45Å; K838-L841 WeakPolarHBondContact O-CB 3.47Å; K838-L841 WeakPolarHBondContact O-CD1 3.41Å; K838-L841 VanDerWaalsContact O-CG 3.3Å; K838-L841 WeakPolarHBondContact O-CG 3.31Å; K838-L841 PolarHBondContact O-N 3.32Å
839	S	96	Very high	97	Very high	51 Å²	51	30.6 Å²	30.6	36%	0.357	16%	0.156	S	C	.	.	G	3₁₀ helix	trans	-67.3	-35.8	176.2	55.1	0	0	0	0	113.9	E763 L841 R842 H843	E763-S839 WeakPolarHBondContact OE1-CB 3.03Å; E763-S839 PolarHBondContact OE1-N 3.43Å; E763-S839 PolarHBondContact OE1-OG 2.8Å; S839-L841 PolarHBondContact O-N 3.5Å; S839-L841 VanDerWaalsContact O-N 3.1Å; S839-R842 PolarHBondContact O-N 3.04Å; S839-R842 VanDerWaalsContact O-N 3.09Å; S839-H843 PolarHBondContact O-N 3.5Å
840	L	96.5	Very high	97.1	Very high	5 Å²	5	30.6 Å²	30.6	3%	0.026	16%	0.156	C	C	.	.	G	3₁₀ helix	trans	-64.6	-16.5	-179.8	-52.3	-177.2	0	0	0	113.5	P837 R842 H843 A846 K885 Y888	P837-L840 HydrophobicContact CB-CB 3.53Å; P837-L840 HydrophobicContact CB-CD1 4.15Å; P837-L840 HydrophobicContact CB-CG 3.99Å; P837-L840 HydrophobicContact CG-CB 4.14Å; L840-R842 PolarHBondContact O-N 3.23Å; L840-H843 HydrophobicContact CD2-CB 4Å; L840-H843 PolarHBondContact O-N 2.67Å; L840-A846 HydrophobicContact CB-CB 4Å; L840-A846 HydrophobicContact CD2-CB 4.26Å; L840-K885 HydrophobicContact CD1-CB 3.77Å; L840-K885 HydrophobicContact CD2-CB 4.02Å; L840-K885 HydrophobicContact CG-CB 3.86Å; L840-Y888 HydrophobicContact CD1-CD2 4.16Å; L840-Y888 HydrophobicContact CD1-CE2 3.83Å; L840-Y888 HydrophobicContact CD2-CD2 3.44Å; L840-Y888 VanDerWaalsContact CD2-CD2 3.44Å; L840-Y888 HydrophobicContact CD2-CE2 3.69Å; L840-Y888 HydrophobicContact CD2-CG 4.22Å; L840-Y888 HydrophobicContact CG-CD2 4.45Å; L840-Y888 HydrophobicContact CG-CE2 4.39Å
841	L	97.2	Very high	97.1	Very high	8 Å²	8	33.8 Å²	33.8	4%	0.042	18%	0.178	C	C	.	.	G	3₁₀ helix	trans	-54.9	-26.5	172.4	-63.5	174.5	0	0	0	112.5	W632 F662 H664 P837 K838 S839	W632-L841 HydrophobicContact CB-CD2 3.81Å; W632-L841 HydrophobicContact CG-CD2 3.74Å; F662-L841 HydrophobicContact CB-CD1 3.59Å; F662-L841 HydrophobicContact CD2-CD1 3.56Å; F662-L841 HydrophobicContact CG-CD1 3.75Å; H664-L841 HydrophobicContact CB-CD1 4.22Å; P837-L841 HydrophobicContact CG-CD2 3.97Å; P837-L841 HydrophobicContact CG-CG 4.27Å; K838-L841 WeakPolarHBondContact O-CB 3.47Å; K838-L841 WeakPolarHBondContact O-CD1 3.41Å; K838-L841 VanDerWaalsContact O-CG 3.3Å; K838-L841 WeakPolarHBondContact O-CG 3.31Å; K838-L841 PolarHBondContact O-N 3.32Å; S839-L841 PolarHBondContact O-N 3.5Å; S839-L841 VanDerWaalsContact O-N 3.1Å
842	R	94.2	Very high	97.1	Very high	147 Å²	147	37 Å²	37	56%	0.555	20%	0.195	S	C	*	.	G	3₁₀ helix	trans	-128	5.9	-177.6	-61.8	-179.7	176.7	88.8	3.3	113.7	F662 S663 S839 L840	F662-R842 PolarHBondContact O-NH1 3.36Å; F662-R842 PolarHBondContact O-NH2 2.81Å; S663-R842 PolarHBondContact O-NH2 2.8Å; S839-R842 PolarHBondContact O-N 3.04Å; S839-R842 VanDerWaalsContact O-N 3.09Å; L840-R842 PolarHBondContact O-N 3.23Å
843	H	94.9	Very high	97	Very high	55 Å²	55	37 Å²	37	26%	0.255	20%	0.195	S	C	.	.			trans	-71.6	128.9	-176	-168.3	-77.9	0	0	0	109.8	S839 L840 D845 A846 Y888	S839-H843 PolarHBondContact O-N 3.5Å; L840-H843 HydrophobicContact CD2-CB 4Å; L840-H843 PolarHBondContact O-N 2.67Å; H843-D845 VanDerWaalsContact C-N 3.27Å; H843-D845 IonicContact CE1-OD2 2.61Å; H843-D845 PolarHBondContact CE1-OD2 3.08Å; H843-D845 PolarHBondContact ND1-N 3.08Å; H843-D845 PolarHBondContact O-N 2.88Å; H843-A846 HydrophobicContact CB-CB 3.81Å; H843-A846 PolarHBondContact O-N 3.03Å; H843-Y888 AromaticContact CE1-CD1 3.91Å
844	P	93.9	Very high	97	Very high	84 Å²	84	39.2 Å²	39.2	55%	0.545	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-35	-173.6	22.7	-33.2	0	0	0	112.9	A846 R847	P844-A846 VanDerWaalsContact C-N 3.35Å; P844-R847 WeakPolarHBondContact O-CD 3.39Å; P844-R847 WeakPolarHBondContact O-CG 3.4Å
845	D	94.4	Very high	96.9	Very high	98 Å²	98	42.3 Å²	42.3	52%	0.524	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84	-8.2	177.8	-52.6	-36.8	0	0	0	113.3	H843 R847 Y888	H843-D845 VanDerWaalsContact C-N 3.27Å; H843-D845 IonicContact CE1-OD2 2.61Å; H843-D845 PolarHBondContact CE1-OD2 3.08Å; H843-D845 PolarHBondContact ND1-N 3.08Å; H843-D845 PolarHBondContact O-N 2.88Å; D845-R847 VanDerWaalsContact C-N 3.25Å; D845-R847 PolarHBondContact O-N 3.02Å; D845-Y888 HydrophobicContact CB-CD1 3.9Å; D845-Y888 HydrophobicContact CB-CE1 3.77Å; D845-Y888 WeakPolarHBondContact O-CE1 3.36Å; D845-Y888 PolarHBondContact O-OH 3.11Å
846	A	96.5	Very high	96.7	Very high	1 Å²	1	45.4 Å²	45.4	1%	0.008	26%	0.259	C	S	.	.	S	Bend	trans	-92.4	57.4	176.5	0	0	0	0	0	110.9	P813 L840 H843 P844 Y888	P813-A846 WeakPolarHBondContact CG-O 3.49Å; L840-A846 HydrophobicContact CB-CB 4Å; L840-A846 HydrophobicContact CD2-CB 4.26Å; H843-A846 HydrophobicContact CB-CB 3.81Å; H843-A846 PolarHBondContact O-N 3.03Å; P844-A846 VanDerWaalsContact C-N 3.35Å; A846-Y888 WeakPolarHBondContact CA-OH 3.3Å; A846-Y888 HydrophobicContact CB-CE1 4.36Å; A846-Y888 HydrophobicContact CB-CE2 4.2Å
847	R	97.3	Very high	96.6	Very high	95 Å²	95	46 Å²	46	36%	0.358	26%	0.264	S	S	.	.			trans	-127.9	149.7	178.3	-64	178.8	-178.7	-171.9	-2.7	109.8	A630 P844 D845	A630-R847 CarbonylContact O-C 3.57Å; A630-R847 VanDerWaalsContact O-CA 3.27Å; A630-R847 WeakPolarHBondContact O-CA 3.18Å; P844-R847 WeakPolarHBondContact O-CD 3.39Å; P844-R847 WeakPolarHBondContact O-CG 3.4Å; D845-R847 VanDerWaalsContact C-N 3.25Å; D845-R847 PolarHBondContact O-N 3.02Å
848	S	98	Very high	96.5	Very high	2 Å²	2	50.3 Å²	50.3	1%	0.014	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	136.3	176.2	-68.7	0	0	0	0	110.7	T629 A630 P813 A814	T629-S848 CarbonylContact C-O 3.58Å; T629-S848 WeakPolarHBondContact CA-O 3.35Å; A630-S848 PolarHBondContact N-O 3.12Å; A630-S848 PolarHBondContact O-N 2.83Å; P813-S848 WeakPolarHBondContact CD-OG 3.32Å; A814-S848 WeakPolarHBondContact CB-OG 3.16Å; A814-S848 PolarHBondContact N-OG 3.23Å; A814-S848 VanDerWaalsContact N-OG 3.09Å
849	P	97.7	Very high	96.5	Very high	55 Å²	55	50.6 Å²	50.6	36%	0.357	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	155.1	167.5	31.3	-35.8	0	0	0	110.3	S851 D852	P849-S851 WeakPolarHBondContact CG-OG 3.48Å; P849-S851 PolarHBondContact O-N 2.79Å; P849-D852 WeakPolarHBondContact CD-OD2 3.27Å; P849-D852 HydrophobicContact CG-CB 4.45Å; P849-D852 PolarHBondContact O-N 2.71Å; P849-D852 VanDerWaalsContact O-N 3.15Å
850	F	97.5	Very high	96.6	Very high	5 Å²	5	52.1 Å²	52.1	2%	0.022	29%	0.286	C	S	.	.	G	3₁₀ helix	trans	-60.2	-31	178	-83.5	25.2	0	0	0	112.5	L594 E595 L625 K628 A630 F638 D852 M853 L854	L594-F850 HydrophobicContact CB-CD2 3.95Å; L594-F850 HydrophobicContact CB-CE2 3.69Å; L594-F850 HydrophobicContact CB-CZ 4.33Å; L594-F850 HydrophobicContact CD1-CB 4.33Å; L594-F850 HydrophobicContact CD1-CD2 3.95Å; L594-F850 HydrophobicContact CD1-CE2 4.44Å; L594-F850 HydrophobicContact CD1-CG 4.1Å; E595-F850 HydrophobicContact CG-CE2 4.32Å; L625-F850 HydrophobicContact CD1-CE2 3.98Å; L625-F850 HydrophobicContact CD1-CZ 3.67Å; K628-F850 HydrophobicContact CB-CB 4.36Å; K628-F850 HydrophobicContact CB-CD1 4.49Å; K628-F850 HydrophobicContact CB-CD2 4.41Å; K628-F850 HydrophobicContact CB-CG 4.17Å; K628-F850 VanDerWaalsContact O-CD1 3.3Å; K628-F850 WeakPolarHBondContact O-CD1 3.37Å; K628-F850 PolarHBondContact O-N 3.27Å; A630-F850 HydrophobicContact CB-CE1 4.41Å; F638-F850 AromaticContact CE2-CE1 3.65Å; F638-F850 HydrophobicContact CE2-CE1 3.65Å; F638-F850 AromaticContact CE2-CZ 3.73Å; F638-F850 HydrophobicContact CE2-CZ 3.73Å; F638-F850 HydrophobicContact CZ-CE1 4Å; F638-F850 AromaticContact CZ-CZ 3.63Å; F638-F850 HydrophobicContact CZ-CZ 3.63Å; F850-D852 PolarHBondContact O-N 3.07Å; F850-M853 HydrophobicContact CD1-CE 4Å; F850-M853 PolarHBondContact O-N 3.23Å; F850-L854 WeakPolarHBondContact O-CG 3.23Å; F850-L854 PolarHBondContact O-N 3.4Å
851	S	97.5	Very high	96.7	Very high	71 Å²	71	53 Å²	53	50%	0.497	29%	0.289	S	S	.	.	G	3₁₀ helix	trans	-50.4	-32	176.4	53.4	0	0	0	0	113.2	P849 M853 L854	P849-S851 WeakPolarHBondContact CG-OG 3.48Å; P849-S851 PolarHBondContact O-N 2.79Å; S851-M853 PolarHBondContact O-N 2.86Å; S851-L854 PolarHBondContact O-N 2.85Å
852	D	97.7	Very high	96.7	Very high	73 Å²	73	52.9 Å²	52.9	39%	0.39	29%	0.288	S	S	.	.	G	3₁₀ helix	trans	-80.7	7.3	-179.1	-61.3	3	0	0	0	112.3	A814 H818 P849 F850 S857	A814-D852 HydrophobicContact CB-CB 3.67Å; A814-D852 WeakPolarHBondContact CB-O 3.37Å; H818-D852 PolarHBondContact NE2-O 2.82Å; P849-D852 WeakPolarHBondContact CD-OD2 3.27Å; P849-D852 HydrophobicContact CG-CB 4.45Å; P849-D852 PolarHBondContact O-N 2.71Å; P849-D852 VanDerWaalsContact O-N 3.15Å; F850-D852 PolarHBondContact O-N 3.07Å; D852-S857 PolarHBondContact O-OG 2.97Å
853	M	98.4	Very high	96.9	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	27%	0.267	C	S	.	.	G	3₁₀ helix	trans	-132.5	2.7	176.6	-63.8	176	-73.7	0	0	112.3	G588 V589 L594 A630 F638 A814 F817 F850 S851 S857	G588-M853 CarbonylContact C-O 3.57Å; G588-M853 VanDerWaalsContact CA-O 3.32Å; G588-M853 WeakPolarHBondContact CA-O 3.44Å; V589-M853 PolarHBondContact N-O 3.47Å; L594-M853 HydrophobicContact CD1-CB 3.94Å; L594-M853 HydrophobicContact CD1-CE 4.4Å; A630-M853 HydrophobicContact CB-CE 3.75Å; F638-M853 HydrophobicContact CD2-CE 4.15Å; F638-M853 HydrophobicContact CD2-SD 4.16Å; F638-M853 HydrophobicContact CE2-CE 4.37Å; A814-M853 HydrophobicContact CB-CG 3.92Å; F817-M853 HydrophobicContact CB-CG 4.3Å; F817-M853 HydrophobicContact CB-SD 3.97Å; F817-M853 HydrophobicContact CD1-CB 3.92Å; F817-M853 HydrophobicContact CD1-CG 3.63Å; F817-M853 HydrophobicContact CD1-SD 4.17Å; F817-M853 HydrophobicContact CD2-SD 4.16Å; F817-M853 HydrophobicContact CE1-CB 3.82Å; F817-M853 HydrophobicContact CE1-CG 4.08Å; F817-M853 HydrophobicContact CG-CG 3.95Å; F817-M853 HydrophobicContact CG-SD 3.85Å; F817-M853 HydrophobicContact CZ-CB 4.32Å; F850-M853 HydrophobicContact CD1-CE 4Å; F850-M853 PolarHBondContact O-N 3.23Å; S851-M853 PolarHBondContact O-N 2.86Å; M853-S857 VanDerWaalsContact CA-OG 3.27Å; M853-S857 WeakPolarHBondContact CA-OG 3.47Å; M853-S857 PolarHBondContact N-OG 2.86Å
854	L	98	Very high	97	Very high	48 Å²	48	46.6 Å²	46.6	25%	0.251	27%	0.269	S	S	.	.	S	Bend	trans	-83.5	166.7	179.9	-66.2	-170.5	0	0	0	112.5	G588 V589 L594 F850 S851 G856 S857	G588-L854 WeakPolarHBondContact CA-O 3.33Å; V589-L854 WeakPolarHBondContact O-CA 3.43Å; V589-L854 WeakPolarHBondContact O-CD2 3.49Å; L594-L854 HydrophobicContact CD1-CD2 4.04Å; F850-L854 WeakPolarHBondContact O-CG 3.23Å; F850-L854 PolarHBondContact O-N 3.4Å; S851-L854 PolarHBondContact O-N 2.85Å; L854-G856 PolarHBondContact O-N 2.85Å; L854-S857 PolarHBondContact N-OG 2.83Å; L854-S857 VanDerWaalsContact N-OG 3.16Å; L854-S857 WeakPolarHBondContact O-CB 3.42Å; L854-S857 PolarHBondContact O-N 3.15Å; L854-S857 PolarHBondContact O-OG 3.46Å
855	P	96.8	Very high	97.1	Very high	65 Å²	65	43 Å²	43	42%	0.422	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.6	127.7	178.8	-22.6	33.8	0	0	0	111.7	V589 E590	V589-P855 WeakPolarHBondContact O-CD 3.4Å; E590-P855 WeakPolarHBondContact OE1-CG 3.41Å
856	G	94.1	Very high	97	Very high	65 Å²	65	44.7 Å²	44.7	67%	0.67	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	101	-10	-175.7	0	0	0	0	0	114	N586 L854	N586-G856 PolarHBondContact ND2-N 3.36Å; L854-G856 PolarHBondContact O-N 2.85Å
857	S	96.7	Very high	96.8	Very high	20 Å²	20	45.6 Å²	45.6	14%	0.14	26%	0.264	C	S	.	.			trans	-85.2	154.8	164.4	63.2	0	0	0	0	111.6	N586 H818 D852 M853 L854	N586-S857 PolarHBondContact OD1-O 3.39Å; H818-S857 VanDerWaalsContact CE1-C 3.47Å; H818-S857 PolarHBondContact CE1-O 3.34Å; H818-S857 PolarHBondContact CE1-OG 2.92Å; H818-S857 PolarHBondContact NE2-OG 3.33Å; D852-S857 PolarHBondContact O-OG 2.97Å; M853-S857 VanDerWaalsContact CA-OG 3.27Å; M853-S857 WeakPolarHBondContact CA-OG 3.47Å; M853-S857 PolarHBondContact N-OG 2.86Å; L854-S857 PolarHBondContact N-OG 2.83Å; L854-S857 VanDerWaalsContact N-OG 3.16Å; L854-S857 WeakPolarHBondContact O-CB 3.42Å; L854-S857 PolarHBondContact O-N 3.15Å; L854-S857 PolarHBondContact O-OG 3.46Å
858	E	96.4	Very high	96.6	Very high	101 Å²	101	44 Å²	44	47%	0.472	27%	0.265	S	S	.	.			trans	-153.4	167.2	-178.6	64.7	177.2	-167.9	0	0	111.7	Q860	E858-Q860 PolarHBondContact O-N 2.91Å; E858-Q860 PolarHBondContact O-NE2 3.31Å; E858-Q860 VanDerWaalsContact O-NE2 3.1Å
859	F	97.6	Very high	96.4	Very high	13 Å²	13	43.9 Å²	43.9	6%	0.057	27%	0.265	C	S	.	.			trans	-61.5	119.6	174.6	176.7	-102.7	0	0	0	111.5	N815 H818 I819 R861 E909 Q910	N815-F859 HydrophobicContact CB-CD2 4.06Å; N815-F859 HydrophobicContact CB-CE2 4.02Å; N815-F859 WeakPolarHBondContact O-CD2 3.37Å; H818-F859 HydrophobicContact CB-CB 3.69Å; I819-F859 HydrophobicContact CB-CD2 3.7Å; I819-F859 HydrophobicContact CB-CE2 3.86Å; I819-F859 HydrophobicContact CB-CG 4.33Å; I819-F859 HydrophobicContact CD1-CD2 4.39Å; I819-F859 HydrophobicContact CD1-CE1 4.39Å; I819-F859 HydrophobicContact CD1-CE2 3.81Å; I819-F859 HydrophobicContact CD1-CZ 3.8Å; I819-F859 HydrophobicContact CG1-CD2 4.23Å; I819-F859 HydrophobicContact CG1-CE2 4.15Å; I819-F859 HydrophobicContact CG1-CZ 4.43Å; F859-R861 HydrophobicContact CD1-CG 4.05Å; F859-R861 HydrophobicContact CE1-CB 4.39Å; F859-R861 HydrophobicContact CE1-CG 3.93Å; F859-R861 PolarHBondContact O-N 3.29Å; F859-E909 HydrophobicContact CZ-CB 4.18Å; F859-Q910 HydrophobicContact CE1-CB 3.83Å; F859-Q910 HydrophobicContact CZ-CB 4.09Å
860	Q	97.6	Very high	96.1	Very high	84 Å²	84	42.6 Å²	42.6	39%	0.393	26%	0.257	S	S	.	.			trans	-85.1	103.7	177.5	-57.4	-60.6	-54.2	0	0	110.1	N815 E858 Y862 I863 E909	N815-Q860 PolarHBondContact ND2-O 2.99Å; N815-Q860 WeakPolarHBondContact OD1-CB 3.48Å; N815-Q860 PolarHBondContact OD1-N 3.48Å; E858-Q860 PolarHBondContact O-N 2.91Å; E858-Q860 PolarHBondContact O-NE2 3.31Å; E858-Q860 VanDerWaalsContact O-NE2 3.1Å; Q860-Y862 PolarHBondContact O-N 3.27Å; Q860-I863 HydrophobicContact CB-CD1 4.48Å; Q860-I863 HydrophobicContact CB-CG1 3.81Å; Q860-E909 VanDerWaalsContact O-CB 3.29Å; Q860-E909 WeakPolarHBondContact O-CB 3.06Å; Q860-E909 WeakPolarHBondContact O-CG 3.48Å
861	R	97.9	Very high	95.9	Very high	23 Å²	23	49.4 Å²	49.4	9%	0.087	29%	0.289	C	S	.	.	S	Bend	trans	-60.6	-32	177.7	-66.9	-177.8	-69.2	120.2	3.5	113	F859 E909 Q910 P915 D917 L918	F859-R861 HydrophobicContact CD1-CG 4.05Å; F859-R861 HydrophobicContact CE1-CB 4.39Å; F859-R861 HydrophobicContact CE1-CG 3.93Å; F859-R861 PolarHBondContact O-N 3.29Å; R861-E909 PolarHBondContact O-N 2.99Å; R861-E909 VanDerWaalsContact O-N 3.08Å; R861-Q910 HydrophobicContact CB-CB 4.21Å; R861-Q910 HydrophobicContact CG-CB 4.33Å; R861-Q910 PolarHBondContact O-N 3.03Å; R861-P915 HydrophobicContact CB-CB 4.41Å; R861-D917 IonicContact CZ-OD1 3.49Å; R861-D917 IonicContact CZ-OD2 3.82Å; R861-D917 IonicContact NH1-OD1 3.29Å; R861-D917 PolarHBondContact NH1-OD1 2.77Å; R861-D917 IonicContact NH1-OD2 2.61Å; R861-D917 IonicContact NH2-OD1 2.71Å; R861-D917 PolarHBondContact NH2-OD1 2.75Å; R861-D917 IonicContact NH2-OD2 3.3Å; R861-D917 PolarHBondContact NH2-OD2 3.21Å; R861-L918 HydrophobicContact CB-CD1 3.98Å
862	Y	98.3	Very high	95.7	Very high	6 Å²	6	52.7 Å²	52.7	2%	0.024	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	135.1	179.1	-176.3	-93.2	0	0	0	108.2	Q860 P864 I881 S906 R907 V908 L918 I919 D922	Q860-Y862 PolarHBondContact O-N 3.27Å; Y862-P864 HydrophobicContact CD1-CB 4.45Å; Y862-P864 HydrophobicContact CE1-CB 4.11Å; Y862-I881 HydrophobicContact CE2-CG2 4.37Å; Y862-S906 WeakPolarHBondContact OH-CB 3.29Å; Y862-S906 PolarHBondContact OH-OG 3.15Å; Y862-R907 CarbonylContact C-O 3.58Å; Y862-R907 VanDerWaalsContact CA-O 3.29Å; Y862-R907 WeakPolarHBondContact CA-O 3.3Å; Y862-R907 WeakPolarHBondContact CD2-O 3.23Å; Y862-V908 HydrophobicContact CD2-CG2 3.85Å; Y862-V908 HydrophobicContact CE2-CG2 3.85Å; Y862-L918 HydrophobicContact CD1-CB 4.09Å; Y862-L918 HydrophobicContact CG-CB 3.96Å; Y862-I919 HydrophobicContact CD2-CG1 3.98Å; Y862-I919 HydrophobicContact CE2-CG1 3.73Å; Y862-D922 HydrophobicContact CE1-CB 3.88Å; Y862-D922 WeakPolarHBondContact OH-CB 3.29Å; Y862-D922 PolarHBondContact OH-OD2 3.44Å
863	I	98.1	Very high	95.5	Very high	25 Å²	25	51 Å²	51	13%	0.128	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	106.3	177.2	-52.5	167.3	0	0	0	108.5	T812 Q860 S906 R907 E909	T812-I863 HydrophobicContact CG2-CD1 4.45Å; Q860-I863 HydrophobicContact CB-CD1 4.48Å; Q860-I863 HydrophobicContact CB-CG1 3.81Å; I863-S906 WeakPolarHBondContact O-CA 3.24Å; I863-R907 HydrophobicContact CB-CB 4.28Å; I863-R907 PolarHBondContact N-O 2.94Å; I863-R907 PolarHBondContact O-N 3.11Å; I863-E909 HydrophobicContact CD1-CG 3.68Å; I863-E909 HydrophobicContact CG1-CG 3.86Å
864	P	97.5	Very high	95.2	Very high	45 Å²	45	56.8 Å²	56.8	29%	0.292	31%	0.314	S	S	.	.			trans	-71.1	161.4	178.5	30.3	-34.8	0	0	0	111.8	Y862 N866	Y862-P864 HydrophobicContact CD1-CB 4.45Å; Y862-P864 HydrophobicContact CE1-CB 4.11Å; P864-N866 PolarHBondContact O-N 3.25Å
865	D	96.2	Very high	95	Very high	9 Å²	9	59.3 Å²	59.3	5%	0.048	33%	0.328	C	S	.	.			trans	-62.3	128.7	168.9	-164.8	-68.6	0	0	0	110.6	G867 S870 R894 A904 I905 S906	D865-G867 WeakPolarHBondContact OD1-CA 3.45Å; D865-G867 PolarHBondContact OD1-N 3.47Å; D865-S870 WeakPolarHBondContact O-CB 3.35Å; D865-R894 IonicContact OD2-CZ 3.32Å; D865-R894 IonicContact OD2-NH1 3.56Å; D865-R894 PolarHBondContact OD2-NH1 2.72Å; D865-R894 IonicContact OD2-NH2 2.86Å; D865-A904 HydrophobicContact CB-CB 3.95Å; D865-I905 WeakPolarHBondContact CB-O 3.4Å; D865-I905 PolarHBondContact OD2-N 3.02Å; D865-S906 PolarHBondContact N-OG 3.37Å
866	N	91.8	Very high	95	Very high	132 Å²	132	56.2 Å²	56.2	71%	0.706	31%	0.308	S	S	*	.			trans	-117.4	12.6	176.6	66	-10.7	0	0	0	112.8	P864	P864-N866 PolarHBondContact O-N 3.25Å
867	G	91.5	Very high	95.1	Very high	20 Å²	20	58 Å²	58	21%	0.206	30%	0.298	C	S	.	.	S	Bend	trans	-88.2	-161.6	180	0	0	0	0	0	113.1	D865 A869 S870	D865-G867 WeakPolarHBondContact OD1-CA 3.45Å; D865-G867 PolarHBondContact OD1-N 3.47Å; G867-A869 PolarHBondContact O-N 2.88Å; G867-A869 VanDerWaalsContact O-N 3.16Å; G867-S870 WeakPolarHBondContact O-CB 3.26Å; G867-S870 PolarHBondContact O-N 3.22Å; G867-S870 PolarHBondContact O-OG 2.92Å
868	P	93.3	Very high	95.1	Very high	61 Å²	61	57.5 Å²	57.5	40%	0.396	29%	0.293	S	S	.	.	H	α-helix	trans	-54.7	-33.5	-177.8	-28	36.2	0	0	0	115	S870 Q871 E900 A901	P868-S870 VanDerWaalsContact C-N 3.28Å; P868-S870 PolarHBondContact O-N 2.85Å; P868-Q871 WeakPolarHBondContact O-CB 3.36Å; P868-Q871 PolarHBondContact O-N 3.33Å; P868-E900 HydrophobicContact CB-CB 4.28Å; P868-E900 HydrophobicContact CG-CB 3.9Å; P868-A901 HydrophobicContact CB-CB 4.32Å
869	A	93	Very high	95.1	Very high	1 Å²	1	52.7 Å²	52.7	1%	0.008	27%	0.27	C	S	.	.	H	α-helix	trans	-58.9	-36.9	176.5	0	0	0	0	0	112.9	G867 Q871 K872 V876 E900 A904	G867-A869 PolarHBondContact O-N 2.88Å; G867-A869 VanDerWaalsContact O-N 3.16Å; A869-Q871 PolarHBondContact O-N 3.25Å; A869-K872 PolarHBondContact O-N 2.65Å; A869-V876 HydrophobicContact CB-CG2 3.83Å; A869-V876 WeakPolarHBondContact O-CG2 3.29Å; A869-E900 WeakPolarHBondContact CB-O 3.38Å; A869-E900 PolarHBondContact N-O 3.17Å; A869-E900 VanDerWaalsContact N-O 3.09Å; A869-A904 HydrophobicContact CB-CB 3.91Å
870	S	91.7	Very high	95.2	Very high	27 Å²	27	52.1 Å²	52.1	19%	0.189	27%	0.268	C	S	.	.	H	α-helix	trans	-67	-19.2	-179.7	72	0	0	0	0	113.9	D865 G867 P868 P873	D865-S870 WeakPolarHBondContact O-CB 3.35Å; G867-S870 WeakPolarHBondContact O-CB 3.26Å; G867-S870 PolarHBondContact O-N 3.22Å; G867-S870 PolarHBondContact O-OG 2.92Å; P868-S870 VanDerWaalsContact C-N 3.28Å; P868-S870 PolarHBondContact O-N 2.85Å; S870-P873 WeakPolarHBondContact O-CG 3.29Å
871	Q	93.7	Very high	95.2	Very high	149 Å²	149	48.3 Å²	48.3	70%	0.696	25%	0.25	S	C	*	.	H	α-helix	trans	-78.9	-26.1	-177.3	-59.6	-62.3	-35.6	0	0	113.2	P868 A869	P868-Q871 WeakPolarHBondContact O-CB 3.36Å; P868-Q871 PolarHBondContact O-N 3.33Å; A869-Q871 PolarHBondContact O-N 3.25Å
872	K	93	Very high	95.3	Very high	140 Å²	140	47.2 Å²	47.2	61%	0.609	25%	0.246	S	C	*	.	S	Bend	trans	-137.1	70.4	177.3	-65.4	-175.2	-177.8	178.3	0	110.3	A869 E874 N875	A869-K872 PolarHBondContact O-N 2.65Å; K872-E874 PolarHBondContact O-N 3.49Å; K872-E874 VanDerWaalsContact O-N 3.15Å; K872-N875 HydrophobicContact CB-CB 4.21Å; K872-N875 WeakPolarHBondContact O-CB 2.95Å; K872-N875 PolarHBondContact O-N 3.37Å
873	P	93.2	Very high	95.3	Very high	36 Å²	36	47.2 Å²	47.2	23%	0.234	25%	0.247	C	C	.	.	G	3₁₀ helix	trans	-57.4	-35.1	-171	-25.1	34.8	0	0	0	114.4	S870 N875 V876 R925 Y926	S870-P873 WeakPolarHBondContact O-CG 3.29Å; P873-N875 PolarHBondContact O-N 2.73Å; P873-V876 WeakPolarHBondContact O-CB 3.31Å; P873-V876 PolarHBondContact O-N 3.19Å; P873-V876 VanDerWaalsContact O-N 3.13Å; P873-R925 HydrophobicContact CB-CG 3.89Å; P873-R925 WeakPolarHBondContact CB-O 3.46Å; P873-R925 HydrophobicContact CG-CG 4.05Å; P873-Y926 HydrophobicContact CB-CD1 3.74Å; P873-Y926 HydrophobicContact CB-CE1 3.84Å; P873-Y926 HydrophobicContact CG-CE1 4.43Å
874	E	92.9	Very high	95.3	Very high	122 Å²	122	46 Å²	46	57%	0.57	24%	0.241	S	C	*	.	G	3₁₀ helix	trans	-59.1	-27.8	176.8	-55.8	-68.9	177.9	0	0	113.7	K872 P927 N928	K872-E874 PolarHBondContact O-N 3.49Å; K872-E874 VanDerWaalsContact O-N 3.15Å; E874-P927 WeakPolarHBondContact OE2-CG 3.47Å; E874-N928 PolarHBondContact O-ND2 2.88Å
875	N	94.4	Very high	95.3	Very high	101 Å²	101	44.8 Å²	44.8	54%	0.54	23%	0.231	S	C	.	.	G	3₁₀ helix	trans	-90.7	-8.3	-177.6	-69	-7	0	0	0	113	K872 P873 K877	K872-N875 HydrophobicContact CB-CB 4.21Å; K872-N875 WeakPolarHBondContact O-CB 2.95Å; K872-N875 PolarHBondContact O-N 3.37Å; P873-N875 PolarHBondContact O-N 2.73Å; N875-K877 PolarHBondContact O-N 3.46Å
876	V	96	Very high	95.3	Very high	1 Å²	1	44.3 Å²	44.3	1%	0.006	23%	0.228	C	C	.	.			trans	-69.1	122.7	-179.9	176.6	0	0	0	0	108.8	A869 P873 K878 A904 Y926 A929	A869-V876 HydrophobicContact CB-CG2 3.83Å; A869-V876 WeakPolarHBondContact O-CG2 3.29Å; P873-V876 WeakPolarHBondContact O-CB 3.31Å; P873-V876 PolarHBondContact O-N 3.19Å; P873-V876 VanDerWaalsContact O-N 3.13Å; V876-K878 VanDerWaalsContact CG1-O 3.26Å; V876-K878 WeakPolarHBondContact CG1-O 3.45Å; V876-A904 HydrophobicContact CG1-CB 3.98Å; V876-Y926 HydrophobicContact CB-CD1 3.64Å; V876-Y926 HydrophobicContact CB-CE1 4.2Å; V876-Y926 HydrophobicContact CB-CG 4.36Å; V876-Y926 HydrophobicContact CG1-CD1 3.95Å; V876-Y926 HydrophobicContact CG1-CE1 4.43Å; V876-Y926 HydrophobicContact CG1-CG 4.32Å; V876-Y926 HydrophobicContact CG2-CD1 3.56Å; V876-Y926 HydrophobicContact CG2-CE1 3.62Å; V876-A929 HydrophobicContact CG1-CB 4.14Å
877	K	96.1	Very high	95.6	Very high	103 Å²	103	39.4 Å²	39.4	45%	0.448	20%	0.2	S	C	.	.			trans	-88.5	-26.5	-177.6	-66.9	172.6	-177.5	145.8	0	112.2	N875 D902 A929 I930 L1000	N875-K877 PolarHBondContact O-N 3.46Å; K877-D902 PolarHBondContact N-O 3.44Å; K877-D902 IonicContact NZ-OD1 2.82Å; K877-D902 PolarHBondContact NZ-OD1 3.21Å; K877-A929 WeakPolarHBondContact O-CA 3.35Å; K877-I930 PolarHBondContact O-N 3.14Å; K877-L1000 HydrophobicContact CB-CD2 3.87Å; K877-L1000 HydrophobicContact CD-CD1 3.8Å; K877-L1000 HydrophobicContact CD-CD2 4.39Å
878	K	96.9	Very high	95.9	Very high	9 Å²	9	39.4 Å²	39.4	4%	0.039	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	133.7	-178.6	-173.3	-179.7	-69.4	-160.9	0	111.6	V876 I880 D902 I903 A904 I930 A997 S999 L1000	V876-K878 VanDerWaalsContact CG1-O 3.26Å; V876-K878 WeakPolarHBondContact CG1-O 3.45Å; K878-I880 HydrophobicContact CD-CD1 4.31Å; K878-I880 HydrophobicContact CD-CG1 3.95Å; K878-I880 HydrophobicContact CG-CG1 4.18Å; K878-D902 PolarHBondContact N-O 3.42Å; K878-I903 HydrophobicContact CB-CG1 4.35Å; K878-I903 WeakPolarHBondContact O-CA 3.06Å; K878-A904 PolarHBondContact O-N 3.16Å; K878-I930 CarbonylContact C-O 3.58Å; K878-I930 WeakPolarHBondContact CA-O 3.38Å; K878-I930 HydrophobicContact CG-CB 4.43Å; K878-I930 WeakPolarHBondContact CG-O 3.18Å; K878-A997 VanDerWaalsContact CD-O 3.29Å; K878-A997 WeakPolarHBondContact CD-O 3.48Å; K878-A997 PolarHBondContact NZ-O 3.37Å; K878-S999 VanDerWaalsContact CE-O 3.25Å; K878-S999 WeakPolarHBondContact CE-O 3.48Å; K878-S999 PolarHBondContact NZ-O 3.4Å; K878-L1000 HydrophobicContact CB-CD2 4.22Å
879	L	97.3	Very high	96	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	112.7	168.4	173	60.6	0	0	0	108.3	I881 A904 D922 L923 Y926 A929 I930 Q932	L879-I881 HydrophobicContact CD2-CD1 4.3Å; L879-I881 HydrophobicContact CD2-CG1 4.31Å; L879-I881 HydrophobicContact CG-CG1 4.08Å; L879-A904 HydrophobicContact CD1-CB 3.93Å; L879-D922 VanDerWaalsContact CD1-OD2 3.29Å; L879-D922 WeakPolarHBondContact CD1-OD2 3.43Å; L879-L923 HydrophobicContact CD2-CD2 4.11Å; L879-Y926 HydrophobicContact CD1-CD2 3.9Å; L879-Y926 HydrophobicContact CD1-CE2 4.04Å; L879-Y926 HydrophobicContact CD2-CD2 4.14Å; L879-Y926 HydrophobicContact CG-CD2 4.4Å; L879-A929 HydrophobicContact CB-CB 4.11Å; L879-I930 PolarHBondContact N-O 2.59Å; L879-Q932 PolarHBondContact O-N 3.17Å
880	I	98.2	Very high	96.2	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	123.1	171.8	-66.6	177	0	0	0	108.5	K878 L890 I903 A904 I905 S906 Q932 V934 A997 L998	K878-I880 HydrophobicContact CD-CD1 4.31Å; K878-I880 HydrophobicContact CD-CG1 3.95Å; K878-I880 HydrophobicContact CG-CG1 4.18Å; I880-L890 HydrophobicContact CG2-CD1 3.94Å; I880-I903 HydrophobicContact CD1-CG2 3.61Å; I880-I903 HydrophobicContact CG1-CG2 3.96Å; I880-A904 PolarHBondContact N-O 2.89Å; I880-I905 HydrophobicContact CB-CG1 4.27Å; I880-I905 HydrophobicContact CG2-CG2 4.3Å; I880-I905 WeakPolarHBondContact O-CA 3.27Å; I880-S906 PolarHBondContact O-N 3.23Å; I880-Q932 CarbonylContact C-O 3.39Å; I880-Q932 WeakPolarHBondContact CA-O 3.44Å; I880-V934 HydrophobicContact CB-CG2 4.44Å; I880-V934 HydrophobicContact CD1-CG2 4.46Å; I880-V934 HydrophobicContact CG1-CG2 4.3Å; I880-V934 HydrophobicContact CG2-CB 3.9Å; I880-V934 HydrophobicContact CG2-CG2 3.49Å; I880-V934 VanDerWaalsContact CG2-CG2 3.49Å; I880-A997 HydrophobicContact CD1-CB 4.46Å; I880-L998 HydrophobicContact CD1-CD2 3.88Å
881	I	98.5	Very high	96.4	Very high	4 Å²	4	38 Å²	38	2%	0.021	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	128.3	171.2	-53.2	178.8	0	0	0	107.5	Y862 L879 V908 I931 Q932 W933 V934	Y862-I881 HydrophobicContact CE2-CG2 4.37Å; L879-I881 HydrophobicContact CD2-CD1 4.3Å; L879-I881 HydrophobicContact CD2-CG1 4.31Å; L879-I881 HydrophobicContact CG-CG1 4.08Å; I881-V908 HydrophobicContact CG2-CG2 3.6Å; I881-I931 HydrophobicContact CD1-CG2 4.05Å; I881-Q932 PolarHBondContact N-O 3.31Å; I881-W933 HydrophobicContact CB-CE3 4.13Å; I881-W933 HydrophobicContact CG2-CE3 3.82Å; I881-W933 HydrophobicContact CG2-CZ3 3.72Å; I881-W933 CarbonylContact O-C 3.48Å; I881-W933 VanDerWaalsContact O-CA 3.31Å; I881-W933 WeakPolarHBondContact O-CA 3.24Å; I881-V934 PolarHBondContact O-N 3.26Å
882	C	98.6	Very high	96.5	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	175.9	-179.3	66.6	0	0	0	0	111.5	I886 L890 S906 R907 V908 V934	C882-I886 HydrophobicContact CB-CG2 3.8Å; C882-L890 HydrophobicContact CB-CD1 4.06Å; C882-S906 PolarHBondContact N-O 3.36Å; C882-R907 CarbonylContact O-C 3.57Å; C882-R907 WeakPolarHBondContact O-CA 3.45Å; C882-V908 PolarHBondContact O-N 2.89Å; C882-V934 WeakPolarHBondContact CA-O 3.41Å; C882-V934 WeakPolarHBondContact CB-O 3.29Å
883	S	98.6	Very high	96.6	Very high	7 Å²	7	35.2 Å²	35.2	5%	0.049	17%	0.166	C	C	.	.			trans	-143.7	137.9	177	-172.6	0	0	0	0	110.5	N809 I886 V908	N809-S883 WeakPolarHBondContact CB-OG 3.43Å; S883-I886 WeakPolarHBondContact O-CG2 3.45Å; S883-V908 WeakPolarHBondContact CB-O 3.37Å; S883-V908 PolarHBondContact OG-O 3.26Å
884	G	97.9	Very high	96.8	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.8	-157.6	179.6	0	0	0	0	0	115.2	N809 T811 I886 Y887	N809-G884 VanDerWaalsContact CG-CA 3.45Å; N809-G884 WeakPolarHBondContact ND2-CA 3.19Å; N809-G884 VanDerWaalsContact OD1-CA 3.32Å; N809-G884 WeakPolarHBondContact OD1-CA 3.41Å; T811-G884 VanDerWaalsContact CG2-O 3.23Å; T811-G884 WeakPolarHBondContact CG2-O 3.32Å; G884-I886 PolarHBondContact O-N 3.3Å; G884-Y887 PolarHBondContact O-N 3.36Å
885	K	97.5	Very high	96.9	Very high	18 Å²	18	33.7 Å²	33.7	8%	0.078	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-23.4	-165.3	76.1	167.8	-174.5	68.6	0	115.9	Y762 E763 L840 Y887 Y888 E889 E936	Y762-K885 VanDerWaalsContact N-CE 3.34Å; Y762-K885 PolarHBondContact O-NZ 2.92Å; E763-K885 HydrophobicContact CG-CD 4.49Å; L840-K885 HydrophobicContact CD1-CB 3.77Å; L840-K885 HydrophobicContact CD2-CB 4.02Å; L840-K885 HydrophobicContact CG-CB 3.86Å; K885-Y887 PolarHBondContact O-N 2.99Å; K885-Y887 VanDerWaalsContact O-N 3.08Å; K885-Y888 PolarHBondContact O-N 2.94Å; K885-E889 IonicContact NZ-OE1 3.12Å; K885-E889 PolarHBondContact NZ-OE1 3.16Å; K885-E936 WeakPolarHBondContact CE-OE1 3.16Å; K885-E936 WeakPolarHBondContact CE-OE2 3.49Å; K885-E936 IonicContact NZ-OE1 2.82Å; K885-E936 IonicContact NZ-OE2 3.76Å; K885-E936 PolarHBondContact NZ-OE2 3.18Å
886	I	97.4	Very high	96.9	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-56.8	-26	-178.9	-174.6	59.3	0	0	0	112.5	C882 S883 G884 Y888 E889 L890 V934 E936 Y993	C882-I886 HydrophobicContact CB-CG2 3.8Å; S883-I886 WeakPolarHBondContact O-CG2 3.45Å; G884-I886 PolarHBondContact O-N 3.3Å; I886-Y888 VanDerWaalsContact C-N 3.27Å; I886-Y888 PolarHBondContact O-N 3.36Å; I886-E889 HydrophobicContact CD1-CB 4.16Å; I886-E889 WeakPolarHBondContact CD1-OE2 3.45Å; I886-E889 PolarHBondContact O-N 3.42Å; I886-L890 HydrophobicContact CD1-CG 4.42Å; I886-L890 HydrophobicContact CG1-CD1 3.9Å; I886-L890 HydrophobicContact CG1-CG 4.11Å; I886-L890 WeakPolarHBondContact O-CG 3.15Å; I886-L890 PolarHBondContact O-N 2.9Å; I886-V934 HydrophobicContact CG1-CG1 4.41Å; I886-E936 HydrophobicContact CD1-CB 4.44Å; I886-Y993 HydrophobicContact CD1-CE2 3.56Å
887	Y	97.9	Very high	96.9	Very high	29 Å²	29	35.6 Å²	35.6	11%	0.114	17%	0.166	C	C	.	.	H	α-helix	trans	-49.4	-47.3	172.6	167.2	-105.4	0	0	0	112.6	G884 K885 E889 L890 D891 I905 R907	G884-Y887 PolarHBondContact O-N 3.36Å; K885-Y887 PolarHBondContact O-N 2.99Å; K885-Y887 VanDerWaalsContact O-N 3.08Å; Y887-E889 VanDerWaalsContact C-N 3.33Å; Y887-E889 PolarHBondContact O-N 3.33Å; Y887-L890 PolarHBondContact O-N 3.27Å; Y887-D891 HydrophobicContact CE2-CB 4.48Å; Y887-D891 WeakPolarHBondContact O-CB 3.32Å; Y887-D891 PolarHBondContact O-N 3.32Å; Y887-I905 HydrophobicContact CD2-CG2 3.78Å; Y887-I905 HydrophobicContact CE2-CG2 4.17Å; Y887-R907 HydrophobicContact CD2-CG 3.65Å; Y887-R907 HydrophobicContact CE2-CG 4.32Å; Y887-R907 VanDerWaalsContact CG-CD 3.49Å; Y887-R907 HydrophobicContact CG-CG 3.86Å
888	Y	97.2	Very high	96.8	Very high	20 Å²	20	37.1 Å²	37.1	8%	0.078	18%	0.178	C	C	.	.	H	α-helix	trans	-68.5	-33.7	-176.3	-67.3	-78	0	0	0	112.3	T811 L840 H843 D845 A846 K885 I886 K892	T811-Y888 PolarHBondContact O-OH 3.32Å; L840-Y888 HydrophobicContact CD1-CD2 4.16Å; L840-Y888 HydrophobicContact CD1-CE2 3.83Å; L840-Y888 HydrophobicContact CD2-CD2 3.44Å; L840-Y888 VanDerWaalsContact CD2-CD2 3.44Å; L840-Y888 HydrophobicContact CD2-CE2 3.69Å; L840-Y888 HydrophobicContact CD2-CG 4.22Å; L840-Y888 HydrophobicContact CG-CD2 4.45Å; L840-Y888 HydrophobicContact CG-CE2 4.39Å; H843-Y888 AromaticContact CE1-CD1 3.91Å; D845-Y888 HydrophobicContact CB-CD1 3.9Å; D845-Y888 HydrophobicContact CB-CE1 3.77Å; D845-Y888 WeakPolarHBondContact O-CE1 3.36Å; D845-Y888 PolarHBondContact O-OH 3.11Å; A846-Y888 WeakPolarHBondContact CA-OH 3.3Å; A846-Y888 HydrophobicContact CB-CE1 4.36Å; A846-Y888 HydrophobicContact CB-CE2 4.2Å; K885-Y888 PolarHBondContact O-N 2.94Å; I886-Y888 VanDerWaalsContact C-N 3.27Å; I886-Y888 PolarHBondContact O-N 3.36Å; Y888-K892 VanDerWaalsContact O-CB 3.28Å; Y888-K892 WeakPolarHBondContact O-CB 3.19Å; Y888-K892 PolarHBondContact O-N 3.35Å
889	E	95.9	Very high	96.7	Very high	50 Å²	50	41.4 Å²	41.4	23%	0.234	20%	0.195	C	C	.	.	H	α-helix	trans	-69.7	-42.9	174.4	-64.2	173.8	-162.1	0	0	110.9	K885 I886 Y887 E893 Y993	K885-E889 IonicContact NZ-OE1 3.12Å; K885-E889 PolarHBondContact NZ-OE1 3.16Å; I886-E889 HydrophobicContact CD1-CB 4.16Å; I886-E889 WeakPolarHBondContact CD1-OE2 3.45Å; I886-E889 PolarHBondContact O-N 3.42Å; Y887-E889 VanDerWaalsContact C-N 3.33Å; Y887-E889 PolarHBondContact O-N 3.33Å; E889-E893 WeakPolarHBondContact O-CB 3.4Å; E889-E893 PolarHBondContact O-N 3.37Å; E889-Y993 PolarHBondContact OE2-OH 3.12Å
890	L	97.1	Very high	96.6	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-65.5	-45.1	178.4	-72	166	0	0	0	112.5	I880 C882 I886 Y887 E893 R894 I905 V934 L994 A997	I880-L890 HydrophobicContact CG2-CD1 3.94Å; C882-L890 HydrophobicContact CB-CD1 4.06Å; I886-L890 HydrophobicContact CD1-CG 4.42Å; I886-L890 HydrophobicContact CG1-CD1 3.9Å; I886-L890 HydrophobicContact CG1-CG 4.11Å; I886-L890 WeakPolarHBondContact O-CG 3.15Å; I886-L890 PolarHBondContact O-N 2.9Å; Y887-L890 PolarHBondContact O-N 3.27Å; L890-E893 PolarHBondContact O-N 3.01Å; L890-R894 WeakPolarHBondContact O-CB 3.45Å; L890-R894 PolarHBondContact O-N 3.37Å; L890-I905 HydrophobicContact CB-CD1 3.86Å; L890-V934 HydrophobicContact CD1-CB 4.06Å; L890-V934 HydrophobicContact CD1-CG1 3.91Å; L890-V934 HydrophobicContact CD2-CG1 3.93Å; L890-V934 HydrophobicContact CG-CG1 4.4Å; L890-L994 HydrophobicContact CD2-CD2 3.72Å; L890-L994 HydrophobicContact CG-CD2 4.3Å; L890-A997 HydrophobicContact CD2-CB 4.07Å
891	D	95.9	Very high	96.5	Very high	8 Å²	8	47.1 Å²	47.1	4%	0.043	23%	0.231	C	C	.	.	H	α-helix	trans	-65.1	-43.9	-179.7	-177.9	55.4	0	0	0	111.3	Y887 E893 R894 R895 I905	Y887-D891 HydrophobicContact CE2-CB 4.48Å; Y887-D891 WeakPolarHBondContact O-CB 3.32Å; Y887-D891 PolarHBondContact O-N 3.32Å; D891-E893 PolarHBondContact O-N 3.5Å; D891-R894 PolarHBondContact O-N 3.47Å; D891-R894 IonicContact OD1-CZ 2.7Å; D891-R894 IonicContact OD1-NE 3.38Å; D891-R894 IonicContact OD1-NH2 3.54Å; D891-R894 PolarHBondContact OD1-NH2 3.35Å; D891-R895 WeakPolarHBondContact O-CB 3.48Å; D891-R895 WeakPolarHBondContact O-CG 3.14Å; D891-R895 PolarHBondContact O-N 2.93Å; D891-R895 IonicContact OD1-CZ 3.74Å; D891-R895 IonicContact OD1-NE 2.75Å; D891-R895 IonicContact OD1-NH2 3.8Å; D891-R895 IonicContact OD2-CZ 2.65Å; D891-R895 IonicContact OD2-NE 3.71Å; D891-R895 PolarHBondContact OD2-NE 2.98Å; D891-R895 IonicContact OD2-NH1 3.53Å; D891-R895 PolarHBondContact OD2-NH1 3.23Å; D891-R895 IonicContact OD2-NH2 2.86Å; D891-R895 PolarHBondContact OD2-NH2 2.81Å; D891-I905 HydrophobicContact CB-CD1 4.46Å
892	K	95.5	Very high	96.4	Very high	156 Å²	156	48.2 Å²	48.2	68%	0.678	24%	0.237	S	C	*	.	H	α-helix	trans	-58.9	-48.4	174	-179.2	-178	176.5	-177.5	0	112.1	Y888 R895 S896	Y888-K892 VanDerWaalsContact O-CB 3.28Å; Y888-K892 WeakPolarHBondContact O-CB 3.19Å; Y888-K892 PolarHBondContact O-N 3.35Å; K892-R895 PolarHBondContact O-N 3.07Å; K892-S896 PolarHBondContact O-N 3.45Å; K892-S896 VanDerWaalsContact O-N 3.08Å
893	E	96	Very high	96.3	Very high	76 Å²	76	48.2 Å²	48.2	36%	0.355	24%	0.237	S	C	.	.	H	α-helix	trans	-69.1	-41.3	-178.4	-170.6	70.5	-174.4	0	0	111.1	E889 L890 D891 R895 S896 I897 L994 L998	E889-E893 WeakPolarHBondContact O-CB 3.4Å; E889-E893 PolarHBondContact O-N 3.37Å; L890-E893 PolarHBondContact O-N 3.01Å; D891-E893 PolarHBondContact O-N 3.5Å; E893-R895 VanDerWaalsContact C-N 3.31Å; E893-R895 PolarHBondContact O-N 3.15Å; E893-S896 WeakPolarHBondContact O-CB 3.37Å; E893-S896 PolarHBondContact O-N 2.98Å; E893-S896 PolarHBondContact O-OG 3.29Å; E893-I897 WeakPolarHBondContact O-CG1 3.28Å; E893-I897 PolarHBondContact O-N 2.97Å; E893-L994 HydrophobicContact CG-CD1 4.5Å; E893-L998 HydrophobicContact CB-CD1 3.6Å; E893-L998 HydrophobicContact CG-CD1 3.31Å
894	R	96.4	Very high	96.3	Very high	7 Å²	7	47.9 Å²	47.9	3%	0.026	24%	0.235	C	C	.	.	H	α-helix	trans	-55.5	-43.4	174	179.4	-176	66.5	167.2	-7	112	D865 L890 D891 I897 N898 R899 E900 I903 I905 L998	D865-R894 IonicContact OD2-CZ 3.32Å; D865-R894 IonicContact OD2-NH1 3.56Å; D865-R894 PolarHBondContact OD2-NH1 2.72Å; D865-R894 IonicContact OD2-NH2 2.86Å; L890-R894 WeakPolarHBondContact O-CB 3.45Å; L890-R894 PolarHBondContact O-N 3.37Å; D891-R894 PolarHBondContact O-N 3.47Å; D891-R894 IonicContact OD1-CZ 2.7Å; D891-R894 IonicContact OD1-NE 3.38Å; D891-R894 IonicContact OD1-NH2 3.54Å; D891-R894 PolarHBondContact OD1-NH2 3.35Å; R894-I897 WeakPolarHBondContact O-CG1 3.44Å; R894-N898 PolarHBondContact O-N 3.19Å; R894-R899 HydrophobicContact CG-CB 4.23Å; R894-R899 PolarHBondContact O-N 3.49Å; R894-R899 VanDerWaalsContact O-N 3.11Å; R894-E900 HydrophobicContact CG-CG 4.42Å; R894-I903 WeakPolarHBondContact CD-O 3.47Å; R894-I903 PolarHBondContact NH1-O 3.09Å; R894-I905 HydrophobicContact CB-CD1 4.19Å; R894-L998 HydrophobicContact CB-CD2 4.08Å
895	R	94.8	Very high	96.3	Very high	119 Å²	119	48 Å²	48	45%	0.449	24%	0.235	S	C	.	.	H	α-helix	trans	-62.7	-44.3	174.3	-76.1	174.9	-173.6	167	11.1	111.7	D891 K892 E893 I897 N898 E900	D891-R895 WeakPolarHBondContact O-CB 3.48Å; D891-R895 WeakPolarHBondContact O-CG 3.14Å; D891-R895 PolarHBondContact O-N 2.93Å; D891-R895 IonicContact OD1-CZ 3.74Å; D891-R895 IonicContact OD1-NE 2.75Å; D891-R895 IonicContact OD1-NH2 3.8Å; D891-R895 IonicContact OD2-CZ 2.65Å; D891-R895 IonicContact OD2-NE 3.71Å; D891-R895 PolarHBondContact OD2-NE 2.98Å; D891-R895 IonicContact OD2-NH1 3.53Å; D891-R895 PolarHBondContact OD2-NH1 3.23Å; D891-R895 IonicContact OD2-NH2 2.86Å; D891-R895 PolarHBondContact OD2-NH2 2.81Å; K892-R895 PolarHBondContact O-N 3.07Å; E893-R895 VanDerWaalsContact C-N 3.31Å; E893-R895 PolarHBondContact O-N 3.15Å; R895-I897 PolarHBondContact O-N 2.84Å; R895-N898 PolarHBondContact O-N 3.1Å; R895-E900 HydrophobicContact CG-CG 4Å; R895-E900 VanDerWaalsContact CG-OE1 3.29Å; R895-E900 WeakPolarHBondContact CG-OE1 3.3Å; R895-E900 IonicContact NE-OE1 3.62Å
896	S	95.2	Very high	96.3	Very high	74 Å²	74	47.1 Å²	47.1	52%	0.517	23%	0.231	S	C	.	.	H	α-helix	trans	-60.7	-28.2	-178.2	81.7	0	0	0	0	113.9	K892 E893	K892-S896 PolarHBondContact O-N 3.45Å; K892-S896 VanDerWaalsContact O-N 3.08Å; E893-S896 WeakPolarHBondContact O-CB 3.37Å; E893-S896 PolarHBondContact O-N 2.98Å; E893-S896 PolarHBondContact O-OG 3.29Å
897	I	95.2	Very high	96.4	Very high	68 Å²	68	48.1 Å²	48.1	35%	0.349	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.4	8.8	178.7	65.1	170.3	0	0	0	113.7	E893 R894 R895 R899 L998	E893-I897 WeakPolarHBondContact O-CG1 3.28Å; E893-I897 PolarHBondContact O-N 2.97Å; R894-I897 WeakPolarHBondContact O-CG1 3.44Å; R895-I897 PolarHBondContact O-N 2.84Å; I897-R899 HydrophobicContact CB-CG 4.48Å; I897-R899 HydrophobicContact CD1-CB 4.16Å; I897-R899 HydrophobicContact CD1-CG 3.64Å; I897-R899 HydrophobicContact CG1-CB 4.05Å; I897-R899 HydrophobicContact CG1-CG 3.68Å; I897-R899 PolarHBondContact O-N 2.93Å; I897-L998 HydrophobicContact CD1-CB 3.79Å; I897-L998 HydrophobicContact CD1-CD1 4.09Å; I897-L998 HydrophobicContact CD1-CG 4.46Å
898	N	94.5	Very high	96.4	Very high	134 Å²	134	46.8 Å²	46.8	72%	0.717	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.6	45.5	179.4	-57.4	-66.1	0	0	0	114.3	R894 R895	R894-N898 PolarHBondContact O-N 3.19Å; R895-N898 PolarHBondContact O-N 3.1Å
899	R	94.7	Very high	96.5	Very high	100 Å²	100	45.8 Å²	45.8	38%	0.377	23%	0.226	S	C	.	.			trans	-110.7	17.1	-178.5	-68.1	-66.1	-178.4	-144.9	-9.3	114.5	R894 I897 A901 D902 I903	R894-R899 HydrophobicContact CG-CB 4.23Å; R894-R899 PolarHBondContact O-N 3.49Å; R894-R899 VanDerWaalsContact O-N 3.11Å; I897-R899 HydrophobicContact CB-CG 4.48Å; I897-R899 HydrophobicContact CD1-CB 4.16Å; I897-R899 HydrophobicContact CD1-CG 3.64Å; I897-R899 HydrophobicContact CG1-CB 4.05Å; I897-R899 HydrophobicContact CG1-CG 3.68Å; I897-R899 PolarHBondContact O-N 2.93Å; R899-A901 PolarHBondContact O-N 3.33Å; R899-D902 WeakPolarHBondContact CD-OD2 3.27Å; R899-D902 IonicContact CZ-OD2 3.89Å; R899-D902 IonicContact NE-OD2 2.74Å; R899-D902 IonicContact NH1-OD2 3.46Å; R899-D902 PolarHBondContact NH1-OD2 2.91Å; R899-D902 PolarHBondContact O-N 3.37Å; R899-D902 VanDerWaalsContact O-N 3.07Å; R899-I903 HydrophobicContact CB-CD1 3.89Å; R899-I903 HydrophobicContact CB-CG1 4.2Å; R899-I903 HydrophobicContact CG-CD1 4.41Å; R899-I903 PolarHBondContact O-N 3.46Å
900	E	95.5	Very high	96.6	Very high	60 Å²	60	43.5 Å²	43.5	28%	0.28	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-26.4	-175.8	-61.2	178.2	102.5	0	0	114.2	P868 A869 R894 R895	P868-E900 HydrophobicContact CB-CB 4.28Å; P868-E900 HydrophobicContact CG-CB 3.9Å; A869-E900 WeakPolarHBondContact CB-O 3.38Å; A869-E900 PolarHBondContact N-O 3.17Å; A869-E900 VanDerWaalsContact N-O 3.09Å; R894-E900 HydrophobicContact CG-CG 4.42Å; R895-E900 HydrophobicContact CG-CG 4Å; R895-E900 VanDerWaalsContact CG-OE1 3.29Å; R895-E900 WeakPolarHBondContact CG-OE1 3.3Å; R895-E900 IonicContact NE-OE1 3.62Å
901	A	95.6	Very high	96.7	Very high	59 Å²	59	43.5 Å²	43.5	49%	0.488	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.5	-21.6	176.1	0	0	0	0	0	113.6	P868 R899	P868-A901 HydrophobicContact CB-CB 4.32Å; R899-A901 PolarHBondContact O-N 3.33Å
902	D	96.4	Very high	96.7	Very high	27 Å²	27	43.1 Å²	43.1	14%	0.144	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.4	-27.5	-178	-72.6	-57.7	0	0	0	112	K877 K878 R899 L1000	K877-D902 PolarHBondContact N-O 3.44Å; K877-D902 IonicContact NZ-OD1 2.82Å; K877-D902 PolarHBondContact NZ-OD1 3.21Å; K878-D902 PolarHBondContact N-O 3.42Å; R899-D902 WeakPolarHBondContact CD-OD2 3.27Å; R899-D902 IonicContact CZ-OD2 3.89Å; R899-D902 IonicContact NE-OD2 2.74Å; R899-D902 IonicContact NH1-OD2 3.46Å; R899-D902 PolarHBondContact NH1-OD2 2.91Å; R899-D902 PolarHBondContact O-N 3.37Å; R899-D902 VanDerWaalsContact O-N 3.07Å; D902-L1000 HydrophobicContact CB-CD1 4.14Å
903	I	97.6	Very high	96.7	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	117.8	-170.5	-56.2	178.4	0	0	0	110	K878 I880 R894 R899 I905 L998 L1000	K878-I903 HydrophobicContact CB-CG1 4.35Å; K878-I903 WeakPolarHBondContact O-CA 3.06Å; I880-I903 HydrophobicContact CD1-CG2 3.61Å; I880-I903 HydrophobicContact CG1-CG2 3.96Å; R894-I903 WeakPolarHBondContact CD-O 3.47Å; R894-I903 PolarHBondContact NH1-O 3.09Å; R899-I903 HydrophobicContact CB-CD1 3.89Å; R899-I903 HydrophobicContact CB-CG1 4.2Å; R899-I903 HydrophobicContact CG-CD1 4.41Å; R899-I903 PolarHBondContact O-N 3.46Å; I903-I905 HydrophobicContact CG2-CG1 4.39Å; I903-L998 HydrophobicContact CD1-CB 4.39Å; I903-L998 HydrophobicContact CD1-CD2 3.83Å; I903-L998 HydrophobicContact CG2-CD2 4.46Å; I903-L1000 HydrophobicContact CD1-CD2 4.2Å; I903-L1000 HydrophobicContact CG1-CD2 3.97Å
904	A	97.8	Very high	96.7	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	139.3	168.8	0	0	0	0	0	110.3	D865 A869 V876 K878 L879 I880 Y926	D865-A904 HydrophobicContact CB-CB 3.95Å; A869-A904 HydrophobicContact CB-CB 3.91Å; V876-A904 HydrophobicContact CG1-CB 3.98Å; K878-A904 PolarHBondContact O-N 3.16Å; L879-A904 HydrophobicContact CD1-CB 3.93Å; I880-A904 PolarHBondContact N-O 2.89Å; A904-Y926 HydrophobicContact CB-CD2 4.32Å; A904-Y926 HydrophobicContact CB-CE1 4.17Å; A904-Y926 HydrophobicContact CB-CE2 3.77Å
905	I	98.1	Very high	96.7	Very high	2 Å²	2	32 Å²	32	1%	0.01	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	114	175	-54.5	169.8	0	0	0	109.6	D865 I880 Y887 L890 D891 R894 I903	D865-I905 WeakPolarHBondContact CB-O 3.4Å; D865-I905 PolarHBondContact OD2-N 3.02Å; I880-I905 HydrophobicContact CB-CG1 4.27Å; I880-I905 HydrophobicContact CG2-CG2 4.3Å; I880-I905 WeakPolarHBondContact O-CA 3.27Å; Y887-I905 HydrophobicContact CD2-CG2 3.78Å; Y887-I905 HydrophobicContact CE2-CG2 4.17Å; L890-I905 HydrophobicContact CB-CD1 3.86Å; D891-I905 HydrophobicContact CB-CD1 4.46Å; R894-I905 HydrophobicContact CB-CD1 4.19Å; I903-I905 HydrophobicContact CG2-CG1 4.39Å
906	S	98.3	Very high	96.8	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	151.4	178.9	-59.1	0	0	0	0	111.5	Y862 I863 D865 I880 C882 D922	Y862-S906 WeakPolarHBondContact OH-CB 3.29Å; Y862-S906 PolarHBondContact OH-OG 3.15Å; I863-S906 WeakPolarHBondContact O-CA 3.24Å; D865-S906 PolarHBondContact N-OG 3.37Å; I880-S906 PolarHBondContact O-N 3.23Å; C882-S906 PolarHBondContact N-O 3.36Å; S906-D922 WeakPolarHBondContact CB-OD2 3.43Å; S906-D922 PolarHBondContact OG-OD2 3.31Å
907	R	98.5	Very high	96.8	Very high	22 Å²	22	24.1 Å²	24.1	8%	0.083	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	127.3	-172.2	-66.2	172.1	-83.8	-177.6	-8.5	111.9	T811 Y862 I863 C882 Y887	T811-R907 VanDerWaalsContact OG1-CD 3.32Å; T811-R907 WeakPolarHBondContact OG1-CD 3.01Å; T811-R907 PolarHBondContact OG1-NH1 3.08Å; Y862-R907 CarbonylContact C-O 3.58Å; Y862-R907 VanDerWaalsContact CA-O 3.29Å; Y862-R907 WeakPolarHBondContact CA-O 3.3Å; Y862-R907 WeakPolarHBondContact CD2-O 3.23Å; I863-R907 HydrophobicContact CB-CB 4.28Å; I863-R907 PolarHBondContact N-O 2.94Å; I863-R907 PolarHBondContact O-N 3.11Å; C882-R907 CarbonylContact O-C 3.57Å; C882-R907 WeakPolarHBondContact O-CA 3.45Å; Y887-R907 HydrophobicContact CD2-CG 3.65Å; Y887-R907 HydrophobicContact CE2-CG 4.32Å; Y887-R907 VanDerWaalsContact CG-CD 3.49Å; Y887-R907 HydrophobicContact CG-CG 3.86Å
908	V	98.7	Very high	96.9	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	103.3	166.8	-176.2	0	0	0	0	108.1	Y862 I881 C882 S883 Q910 L911 P915 I919 W933	Y862-V908 HydrophobicContact CD2-CG2 3.85Å; Y862-V908 HydrophobicContact CE2-CG2 3.85Å; I881-V908 HydrophobicContact CG2-CG2 3.6Å; C882-V908 PolarHBondContact O-N 2.89Å; S883-V908 WeakPolarHBondContact CB-O 3.37Å; S883-V908 PolarHBondContact OG-O 3.26Å; V908-Q910 WeakPolarHBondContact CG1-O 3.48Å; V908-L911 HydrophobicContact CB-CD2 4.43Å; V908-L911 HydrophobicContact CG1-CD2 3.87Å; V908-P915 HydrophobicContact CG1-CG 4.07Å; V908-I919 HydrophobicContact CG2-CD1 4.29Å; V908-W933 HydrophobicContact CG2-CZ3 4.03Å
909	E	98.7	Very high	97	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	9%	0.085	C	C	.	.	S	Bend	trans	-84.9	-39.4	-179	-63.2	-81	117.1	0	0	110.9	A808 N809 C810 T811 N815 F859 Q860 R861 I863	A808-E909 CarbonylContact C-O 3.37Å; A808-E909 WeakPolarHBondContact CA-O 3.19Å; A808-E909 WeakPolarHBondContact CB-O 3.34Å; N809-E909 PolarHBondContact N-O 3Å; C810-E909 VanDerWaalsContact CA-OE2 3.23Å; C810-E909 WeakPolarHBondContact CA-OE2 3.32Å; T811-E909 VanDerWaalsContact CB-OE1 3.27Å; T811-E909 WeakPolarHBondContact CB-OE1 3.43Å; T811-E909 WeakPolarHBondContact CG2-OE1 3.45Å; T811-E909 PolarHBondContact N-OE1 3.33Å; T811-E909 PolarHBondContact N-OE2 2.74Å; T811-E909 PolarHBondContact OG1-OE1 3.17Å; N815-E909 VanDerWaalsContact ND2-CG 3.29Å; N815-E909 WeakPolarHBondContact ND2-CG 3.35Å; N815-E909 PolarHBondContact ND2-OE2 3.18Å; F859-E909 HydrophobicContact CZ-CB 4.18Å; Q860-E909 VanDerWaalsContact O-CB 3.29Å; Q860-E909 WeakPolarHBondContact O-CB 3.06Å; Q860-E909 WeakPolarHBondContact O-CG 3.48Å; R861-E909 PolarHBondContact O-N 2.99Å; R861-E909 VanDerWaalsContact O-N 3.08Å; I863-E909 HydrophobicContact CD1-CG 3.68Å; I863-E909 HydrophobicContact CG1-CG 3.86Å
910	Q	98.4	Very high	97.1	Very high	1 Å²	1	13.2 Å²	13.2	1%	0.005	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	114.1	172.4	-175	-179.7	-75.3	0	0	109.6	I806 F859 R861 V908 T912 P913 P915	I806-Q910 HydrophobicContact CG2-CG 4.35Å; F859-Q910 HydrophobicContact CE1-CB 3.83Å; F859-Q910 HydrophobicContact CZ-CB 4.09Å; R861-Q910 HydrophobicContact CB-CB 4.21Å; R861-Q910 HydrophobicContact CG-CB 4.33Å; R861-Q910 PolarHBondContact O-N 3.03Å; V908-Q910 WeakPolarHBondContact CG1-O 3.48Å; Q910-T912 VanDerWaalsContact CG-O 3.31Å; Q910-T912 WeakPolarHBondContact CG-O 3.25Å; Q910-P913 PolarHBondContact NE2-O 2.99Å; Q910-P913 VanDerWaalsContact NE2-O 3.15Å; Q910-P915 WeakPolarHBondContact O-CD 3.37Å
911	L	97.8	Very high	97.1	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	-43.5	-179.9	-68	166.8	0	0	0	111.3	I774 L778 I807 N809 V908 F914 W933 P943 Y946	I774-L911 HydrophobicContact CG2-CD1 3.83Å; L778-L911 HydrophobicContact CD1-CD1 4.37Å; L778-L911 HydrophobicContact CD2-CB 3.85Å; I807-L911 HydrophobicContact CG2-CB 4.39Å; I807-L911 HydrophobicContact CG2-CD1 4.31Å; I807-L911 PolarHBondContact O-N 3.33Å; N809-L911 HydrophobicContact CB-CD1 4.47Å; V908-L911 HydrophobicContact CB-CD2 4.43Å; V908-L911 HydrophobicContact CG1-CD2 3.87Å; L911-F914 WeakPolarHBondContact O-CA 3.22Å; L911-F914 PolarHBondContact O-N 3.3Å; L911-W933 HydrophobicContact CD2-CH2 4.33Å; L911-P943 HydrophobicContact CD1-CB 4.36Å; L911-P943 HydrophobicContact CD1-CG 3.85Å; L911-P943 HydrophobicContact CD2-CB 3.82Å; L911-P943 HydrophobicContact CD2-CG 3.91Å; L911-Y946 WeakPolarHBondContact O-CE1 3.5Å
912	T	96.4	Very high	97.1	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	6%	0.06	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	136.4	169.8	-164.8	0	0	0	0	110.7	D783 W805 I807 Q910 Y946	D783-T912 PolarHBondContact OD1-OG1 3.29Å; W805-T912 WeakPolarHBondContact O-CG2 3.35Å; I807-T912 HydrophobicContact CB-CG2 3.59Å; I807-T912 HydrophobicContact CD1-CG2 3.67Å; I807-T912 HydrophobicContact CG1-CG2 3.46Å; I807-T912 VanDerWaalsContact CG1-CG2 3.46Å; I807-T912 PolarHBondContact N-O 3.34Å; I807-T912 PolarHBondContact O-N 2.79Å; Q910-T912 VanDerWaalsContact CG-O 3.31Å; Q910-T912 WeakPolarHBondContact CG-O 3.25Å; T912-Y946 PolarHBondContact OG1-OH 3.46Å
913	P	96	Very high	97	Very high	5 Å²	5	11.2 Å²	11.2	3%	0.032	5%	0.053	C	C	.	.	S	Bend	cis	-59	141.9	-11.2	-22.2	30.5	0	0	0	112.9	Q799 L800 T803 Q910	Q799-P913 HydrophobicContact CB-CB 3.69Å; Q799-P913 HydrophobicContact CB-CG 3.83Å; Q799-P913 HydrophobicContact CG-CB 4.32Å; Q799-P913 WeakPolarHBondContact O-CG 3.48Å; L800-P913 HydrophobicContact CD2-CG 4.41Å; T803-P913 HydrophobicContact CG2-CG 3.71Å; Q910-P913 PolarHBondContact NE2-O 2.99Å; Q910-P913 VanDerWaalsContact NE2-O 3.15Å
914	F	96.4	Very high	96.9	Very high	2 Å²	2	15.9 Å²	15.9	1%	0.009	8%	0.075	C	C	.	.			trans	-65.1	129	-177.6	-170.1	-109.9	0	0	0	111	Q799 L911 Y916 I919 Y946 V947 R950	Q799-F914 PolarHBondContact NE2-O 3.06Å; L911-F914 WeakPolarHBondContact O-CA 3.22Å; L911-F914 PolarHBondContact O-N 3.3Å; F914-Y916 VanDerWaalsContact C-N 3.26Å; F914-Y916 HydrophobicContact CB-CD2 4.22Å; F914-Y916 HydrophobicContact CB-CE2 3.95Å; F914-Y916 AromaticContact CD1-CD1 3.79Å; F914-Y916 HydrophobicContact CD1-CD1 3.79Å; F914-Y916 AromaticContact CD1-CD2 3.8Å; F914-Y916 HydrophobicContact CD1-CD2 3.8Å; F914-Y916 AromaticContact CD1-CE1 3.69Å; F914-Y916 HydrophobicContact CD1-CE1 3.69Å; F914-Y916 AromaticContact CD1-CE2 3.72Å; F914-Y916 HydrophobicContact CD1-CE2 3.72Å; F914-Y916 AromaticContact CD1-CG 3.84Å; F914-Y916 HydrophobicContact CD1-CG 3.84Å; F914-Y916 AromaticContact CD1-CZ 3.66Å; F914-Y916 HydrophobicContact CE1-CD1 4.06Å; F914-Y916 HydrophobicContact CE1-CE1 4Å; F914-Y916 HydrophobicContact CE1-CG 4.46Å; F914-Y916 HydrophobicContact CG-CE2 4.32Å; F914-Y916 WeakPolarHBondContact O-CD2 3.46Å; F914-Y916 PolarHBondContact O-N 3.33Å; F914-I919 HydrophobicContact CD1-CD1 4.41Å; F914-I919 HydrophobicContact CD2-CD1 4.41Å; F914-I919 HydrophobicContact CE1-CD1 3.65Å; F914-I919 HydrophobicContact CE2-CD1 3.63Å; F914-I919 HydrophobicContact CZ-CD1 3.21Å; F914-Y946 HydrophobicContact CB-CE1 4.34Å; F914-Y946 HydrophobicContact CD2-CE1 4.02Å; F914-V947 HydrophobicContact CE2-CB 4.39Å; F914-V947 HydrophobicContact CE2-CG1 4.03Å; F914-V947 HydrophobicContact CE2-CG2 4.06Å; F914-V947 HydrophobicContact CZ-CG1 4.17Å; F914-R950 HydrophobicContact CD1-CB 3.97Å; F914-R950 HydrophobicContact CE1-CB 3.78Å; F914-R950 HydrophobicContact CG-CB 4.46Å; F914-R950 HydrophobicContact CZ-CB 4.14Å
915	P	96.2	Very high	96.8	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	9%	0.093	C	C	.	.			trans	-82.8	65.9	-172.5	33.6	-35.4	0	0	0	111.9	R861 V908 Q910 D917 L918 I919	R861-P915 HydrophobicContact CB-CB 4.41Å; V908-P915 HydrophobicContact CG1-CG 4.07Å; Q910-P915 WeakPolarHBondContact O-CD 3.37Å; P915-D917 VanDerWaalsContact C-N 3.29Å; P915-D917 PolarHBondContact O-N 3.45Å; P915-L918 HydrophobicContact CB-CB 4.43Å; P915-L918 HydrophobicContact CB-CD1 4.49Å; P915-L918 PolarHBondContact O-N 3.01Å; P915-I919 HydrophobicContact CG-CD1 3.98Å; P915-I919 HydrophobicContact CG-CG1 4.27Å; P915-I919 WeakPolarHBondContact O-CG1 3.25Å; P915-I919 PolarHBondContact O-N 2.91Å
916	Y	96	Very high	96.6	Very high	6 Å²	6	20.6 Å²	20.6	2%	0.024	9%	0.093	C	C	.	.	H	α-helix	trans	-52.6	-44.6	-178.3	-76.6	-80.8	0	0	0	113	H787 V788 P789 Y791 F914 Q920 R950 L954	H787-Y916 PolarHBondContact O-OH 2.73Å; V788-Y916 HydrophobicContact CG1-CD1 4.34Å; V788-Y916 HydrophobicContact CG2-CD1 4.25Å; V788-Y916 HydrophobicContact CG2-CE1 4.15Å; P789-Y916 HydrophobicContact CG-CD2 3.92Å; P789-Y916 HydrophobicContact CG-CE2 4.18Å; Y791-Y916 PolarHBondContact OH-O 3.11Å; F914-Y916 VanDerWaalsContact C-N 3.26Å; F914-Y916 HydrophobicContact CB-CD2 4.22Å; F914-Y916 HydrophobicContact CB-CE2 3.95Å; F914-Y916 AromaticContact CD1-CD1 3.79Å; F914-Y916 HydrophobicContact CD1-CD1 3.79Å; F914-Y916 AromaticContact CD1-CD2 3.8Å; F914-Y916 HydrophobicContact CD1-CD2 3.8Å; F914-Y916 AromaticContact CD1-CE1 3.69Å; F914-Y916 HydrophobicContact CD1-CE1 3.69Å; F914-Y916 AromaticContact CD1-CE2 3.72Å; F914-Y916 HydrophobicContact CD1-CE2 3.72Å; F914-Y916 AromaticContact CD1-CG 3.84Å; F914-Y916 HydrophobicContact CD1-CG 3.84Å; F914-Y916 AromaticContact CD1-CZ 3.66Å; F914-Y916 HydrophobicContact CE1-CD1 4.06Å; F914-Y916 HydrophobicContact CE1-CE1 4Å; F914-Y916 HydrophobicContact CE1-CG 4.46Å; F914-Y916 HydrophobicContact CG-CE2 4.32Å; F914-Y916 WeakPolarHBondContact O-CD2 3.46Å; F914-Y916 PolarHBondContact O-N 3.33Å; Y916-Q920 WeakPolarHBondContact O-CB 3.5Å; Y916-Q920 PolarHBondContact O-N 3.06Å; Y916-R950 HydrophobicContact CE1-CB 4.23Å; Y916-R950 WeakPolarHBondContact OH-CG 3.48Å; Y916-L954 HydrophobicContact CD1-CB 4.23Å; Y916-L954 HydrophobicContact CD1-CD1 4.22Å; Y916-L954 HydrophobicContact CD1-CD2 4.23Å; Y916-L954 HydrophobicContact CD1-CG 4.46Å; Y916-L954 HydrophobicContact CE1-CB 4.44Å
917	D	96.1	Very high	96.4	Very high	20 Å²	20	22.7 Å²	22.7	11%	0.107	11%	0.107	C	C	.	.	H	α-helix	trans	-60.6	-46.3	-179.3	62	-40	0	0	0	112.5	Y791 F795 R861 P915 Q921	Y791-D917 HydrophobicContact CD1-CB 4.08Å; Y791-D917 HydrophobicContact CD2-CB 4.4Å; Y791-D917 HydrophobicContact CE1-CB 3.9Å; Y791-D917 HydrophobicContact CE2-CB 4.22Å; Y791-D917 HydrophobicContact CG-CB 4.35Å; Y791-D917 PolarHBondContact OH-N 3.35Å; F795-D917 HydrophobicContact CD1-CB 4.29Å; F795-D917 HydrophobicContact CE1-CB 3.78Å; F795-D917 VanDerWaalsContact CE1-CG 3.49Å; F795-D917 WeakPolarHBondContact CE1-OD1 3.29Å; R861-D917 IonicContact CZ-OD1 3.49Å; R861-D917 IonicContact CZ-OD2 3.82Å; R861-D917 IonicContact NH1-OD1 3.29Å; R861-D917 PolarHBondContact NH1-OD1 2.77Å; R861-D917 IonicContact NH1-OD2 2.61Å; R861-D917 IonicContact NH2-OD1 2.71Å; R861-D917 PolarHBondContact NH2-OD1 2.75Å; R861-D917 IonicContact NH2-OD2 3.3Å; R861-D917 PolarHBondContact NH2-OD2 3.21Å; P915-D917 VanDerWaalsContact C-N 3.29Å; P915-D917 PolarHBondContact O-N 3.45Å; D917-Q921 VanDerWaalsContact O-CG 3.26Å; D917-Q921 WeakPolarHBondContact O-CG 3.33Å; D917-Q921 PolarHBondContact O-N 2.91Å; D917-Q921 VanDerWaalsContact O-N 3.09Å
918	L	97	Very high	96.1	Very high	38 Å²	38	25.4 Å²	25.4	20%	0.199	12%	0.123	C	C	.	.	H	α-helix	trans	-77.2	-37.1	-177.4	-59.6	176.4	0	0	0	111.8	R861 Y862 P915 Q920 Q921 D922	R861-L918 HydrophobicContact CB-CD1 3.98Å; Y862-L918 HydrophobicContact CD1-CB 4.09Å; Y862-L918 HydrophobicContact CG-CB 3.96Å; P915-L918 HydrophobicContact CB-CB 4.43Å; P915-L918 HydrophobicContact CB-CD1 4.49Å; P915-L918 PolarHBondContact O-N 3.01Å; L918-Q920 VanDerWaalsContact C-N 3.35Å; L918-Q921 PolarHBondContact O-N 3.09Å; L918-D922 PolarHBondContact O-N 3.03Å; L918-D922 VanDerWaalsContact O-N 3.1Å
919	I	96.9	Very high	95.9	Very high	4 Å²	4	25.4 Å²	25.4	2%	0.021	12%	0.123	C	C	.	.	H	α-helix	trans	-65.5	-41.9	173.5	-69	171.9	0	0	0	110.1	Y862 V908 F914 P915 Q921 D922 L923 L954	Y862-I919 HydrophobicContact CD2-CG1 3.98Å; Y862-I919 HydrophobicContact CE2-CG1 3.73Å; V908-I919 HydrophobicContact CG2-CD1 4.29Å; F914-I919 HydrophobicContact CD1-CD1 4.41Å; F914-I919 HydrophobicContact CD2-CD1 4.41Å; F914-I919 HydrophobicContact CE1-CD1 3.65Å; F914-I919 HydrophobicContact CE2-CD1 3.63Å; F914-I919 HydrophobicContact CZ-CD1 3.21Å; P915-I919 HydrophobicContact CG-CD1 3.98Å; P915-I919 HydrophobicContact CG-CG1 4.27Å; P915-I919 WeakPolarHBondContact O-CG1 3.25Å; P915-I919 PolarHBondContact O-N 2.91Å; I919-Q921 PolarHBondContact O-N 2.8Å; I919-D922 PolarHBondContact O-N 3.15Å; I919-L923 HydrophobicContact CG2-CD1 3.86Å; I919-L923 HydrophobicContact CG2-CG 4.19Å; I919-L923 WeakPolarHBondContact O-CB 3.49Å; I919-L923 WeakPolarHBondContact O-CG 3.45Å; I919-L923 PolarHBondContact O-N 3.25Å; I919-L954 HydrophobicContact CB-CD2 4.31Å; I919-L954 HydrophobicContact CG2-CD2 3.91Å
920	Q	96.4	Very high	95.8	Very high	31 Å²	31	27 Å²	27	15%	0.145	13%	0.131	C	C	.	.	H	α-helix	trans	-58.9	-46.8	175.7	-177.3	176.3	-27.6	0	0	111.3	Y791 Y916 L918 D922 L923 E924 L954 M959	Y791-Q920 VanDerWaalsContact CE2-OE1 3.25Å; Y791-Q920 PolarHBondContact OH-OE1 3.11Å; Y916-Q920 WeakPolarHBondContact O-CB 3.5Å; Y916-Q920 PolarHBondContact O-N 3.06Å; L918-Q920 VanDerWaalsContact C-N 3.35Å; Q920-D922 VanDerWaalsContact C-N 3.32Å; Q920-D922 PolarHBondContact O-N 3.07Å; Q920-L923 WeakPolarHBondContact O-CB 3.35Å; Q920-L923 PolarHBondContact O-N 2.87Å; Q920-E924 HydrophobicContact CG-CG 4.45Å; Q920-E924 VanDerWaalsContact CG-OE1 3.31Å; Q920-E924 WeakPolarHBondContact CG-OE1 3.44Å; Q920-E924 PolarHBondContact NE2-OE1 2.89Å; Q920-E924 WeakPolarHBondContact O-CG 3.1Å; Q920-E924 PolarHBondContact O-N 2.95Å; Q920-L954 HydrophobicContact CB-CD1 4.28Å; Q920-L954 HydrophobicContact CB-CD2 4.15Å; Q920-M959 HydrophobicContact CB-CE 4.4Å; Q920-M959 HydrophobicContact CG-CE 3.57Å
921	Q	96	Very high	95.7	Very high	100 Å²	100	27 Å²	27	47%	0.467	13%	0.131	S	C	.	.	H	α-helix	trans	-59.2	-41.7	177.4	-73.2	169.6	30.7	0	0	112.5	D917 L918 I919 E924 R925	D917-Q921 VanDerWaalsContact O-CG 3.26Å; D917-Q921 WeakPolarHBondContact O-CG 3.33Å; D917-Q921 PolarHBondContact O-N 2.91Å; D917-Q921 VanDerWaalsContact O-N 3.09Å; L918-Q921 PolarHBondContact O-N 3.09Å; I919-Q921 PolarHBondContact O-N 2.8Å; Q921-E924 PolarHBondContact O-N 3.3Å; Q921-R925 WeakPolarHBondContact O-CB 3.37Å; Q921-R925 PolarHBondContact O-N 3.18Å
922	D	94.8	Very high	95.7	Very high	2 Å²	2	27.7 Å²	27.7	1%	0.011	13%	0.134	C	C	.	.	H	α-helix	trans	-72.5	-35	179.9	-149.2	45.6	0	0	0	112	Y862 L879 S906 L918 I919 Q920 R925 Y926	Y862-D922 HydrophobicContact CE1-CB 3.88Å; Y862-D922 WeakPolarHBondContact OH-CB 3.29Å; Y862-D922 PolarHBondContact OH-OD2 3.44Å; L879-D922 VanDerWaalsContact CD1-OD2 3.29Å; L879-D922 WeakPolarHBondContact CD1-OD2 3.43Å; S906-D922 WeakPolarHBondContact CB-OD2 3.43Å; S906-D922 PolarHBondContact OG-OD2 3.31Å; L918-D922 PolarHBondContact O-N 3.03Å; L918-D922 VanDerWaalsContact O-N 3.1Å; I919-D922 PolarHBondContact O-N 3.15Å; Q920-D922 VanDerWaalsContact C-N 3.32Å; Q920-D922 PolarHBondContact O-N 3.07Å; D922-R925 WeakPolarHBondContact O-CB 3.41Å; D922-R925 PolarHBondContact O-N 2.79Å; D922-Y926 WeakPolarHBondContact O-CD2 3.49Å; D922-Y926 PolarHBondContact O-N 2.7Å; D922-Y926 VanDerWaalsContact OD1-CE2 3.29Å; D922-Y926 WeakPolarHBondContact OD1-CE2 3.47Å
923	L	96	Very high	95.8	Very high	2 Å²	2	27.7 Å²	27.7	1%	0.01	13%	0.134	C	C	.	.	H	α-helix	trans	-61.5	-51	170.3	-70.5	173.3	0	0	0	110.5	L879 I919 Q920 R925 Y926 I931 L954 I955 M959 R962	L879-L923 HydrophobicContact CD2-CD2 4.11Å; I919-L923 HydrophobicContact CG2-CD1 3.86Å; I919-L923 HydrophobicContact CG2-CG 4.19Å; I919-L923 WeakPolarHBondContact O-CB 3.49Å; I919-L923 WeakPolarHBondContact O-CG 3.45Å; I919-L923 PolarHBondContact O-N 3.25Å; Q920-L923 WeakPolarHBondContact O-CB 3.35Å; Q920-L923 PolarHBondContact O-N 2.87Å; L923-R925 PolarHBondContact O-N 3.4Å; L923-Y926 CarbonylContact O-C 3.4Å; L923-Y926 PolarHBondContact O-N 3.22Å; L923-Y926 VanDerWaalsContact O-N 3.17Å; L923-I931 HydrophobicContact CD2-CD1 3.37Å; L923-I931 HydrophobicContact CD2-CG1 3.72Å; L923-I931 HydrophobicContact CD2-CG2 4.03Å; L923-L954 HydrophobicContact CD1-CD2 4.14Å; L923-I955 HydrophobicContact CD1-CG1 3.83Å; L923-M959 HydrophobicContact CB-CE 3.62Å; L923-M959 HydrophobicContact CB-SD 3.8Å; L923-M959 HydrophobicContact CD1-CE 4.25Å; L923-R962 VanDerWaalsContact C-NH1 3.33Å; L923-R962 PolarHBondContact O-NH1 2.93Å
924	E	94.7	Very high	95.9	Very high	99 Å²	99	27.4 Å²	27.4	46%	0.463	13%	0.133	S	C	.	.	H	α-helix	trans	-58.2	-37.4	177.2	-73.5	167.6	-175.9	0	0	112.3	Q920 Q921 Y926 M959	Q920-E924 HydrophobicContact CG-CG 4.45Å; Q920-E924 VanDerWaalsContact CG-OE1 3.31Å; Q920-E924 WeakPolarHBondContact CG-OE1 3.44Å; Q920-E924 PolarHBondContact NE2-OE1 2.89Å; Q920-E924 WeakPolarHBondContact O-CG 3.1Å; Q920-E924 PolarHBondContact O-N 2.95Å; Q921-E924 PolarHBondContact O-N 3.3Å; E924-Y926 VanDerWaalsContact C-N 3.33Å; E924-Y926 PolarHBondContact O-N 3.36Å; E924-M959 HydrophobicContact CG-CE 3.61Å; E924-M959 HydrophobicContact CG-SD 4.19Å
925	R	94.7	Very high	96	Very high	100 Å²	100	27.4 Å²	27.4	38%	0.377	13%	0.133	S	C	.	.	H	α-helix	trans	-61.7	-38	177.7	-177.2	178.1	-63.1	-178.2	3.4	112.6	P873 Q921 D922 L923 P927	P873-R925 HydrophobicContact CB-CG 3.89Å; P873-R925 WeakPolarHBondContact CB-O 3.46Å; P873-R925 HydrophobicContact CG-CG 4.05Å; Q921-R925 WeakPolarHBondContact O-CB 3.37Å; Q921-R925 PolarHBondContact O-N 3.18Å; D922-R925 WeakPolarHBondContact O-CB 3.41Å; D922-R925 PolarHBondContact O-N 2.79Å; L923-R925 PolarHBondContact O-N 3.4Å; R925-P927 VanDerWaalsContact C-CD 3.44Å; R925-P927 WeakPolarHBondContact O-CD 3.35Å
926	Y	95.1	Very high	96.1	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	13%	0.134	C	C	.	.			trans	-114.6	67.9	-176.2	-55.8	-63.8	0	0	0	111.8	P873 V876 L879 A904 D922 L923 E924 N928 A929 R962	P873-Y926 HydrophobicContact CB-CD1 3.74Å; P873-Y926 HydrophobicContact CB-CE1 3.84Å; P873-Y926 HydrophobicContact CG-CE1 4.43Å; V876-Y926 HydrophobicContact CB-CD1 3.64Å; V876-Y926 HydrophobicContact CB-CE1 4.2Å; V876-Y926 HydrophobicContact CB-CG 4.36Å; V876-Y926 HydrophobicContact CG1-CD1 3.95Å; V876-Y926 HydrophobicContact CG1-CE1 4.43Å; V876-Y926 HydrophobicContact CG1-CG 4.32Å; V876-Y926 HydrophobicContact CG2-CD1 3.56Å; V876-Y926 HydrophobicContact CG2-CE1 3.62Å; L879-Y926 HydrophobicContact CD1-CD2 3.9Å; L879-Y926 HydrophobicContact CD1-CE2 4.04Å; L879-Y926 HydrophobicContact CD2-CD2 4.14Å; L879-Y926 HydrophobicContact CG-CD2 4.4Å; A904-Y926 HydrophobicContact CB-CD2 4.32Å; A904-Y926 HydrophobicContact CB-CE1 4.17Å; A904-Y926 HydrophobicContact CB-CE2 3.77Å; D922-Y926 WeakPolarHBondContact O-CD2 3.49Å; D922-Y926 PolarHBondContact O-N 2.7Å; D922-Y926 VanDerWaalsContact OD1-CE2 3.29Å; D922-Y926 WeakPolarHBondContact OD1-CE2 3.47Å; L923-Y926 CarbonylContact O-C 3.4Å; L923-Y926 PolarHBondContact O-N 3.22Å; L923-Y926 VanDerWaalsContact O-N 3.17Å; E924-Y926 VanDerWaalsContact C-N 3.33Å; E924-Y926 PolarHBondContact O-N 3.36Å; Y926-N928 VanDerWaalsContact C-N 3.31Å; Y926-N928 PolarHBondContact O-N 2.79Å; Y926-A929 PolarHBondContact O-N 3.32Å; Y926-R962 PolarHBondContact O-NH2 3.39Å
927	P	92.8	Very high	96.2	Very high	44 Å²	44	27.6 Å²	27.6	29%	0.286	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-31.9	-167.3	25.3	-35.4	0	0	0	114.2	E874 R925	E874-P927 WeakPolarHBondContact OE2-CG 3.47Å; R925-P927 VanDerWaalsContact C-CD 3.44Å; R925-P927 WeakPolarHBondContact O-CD 3.35Å
928	N	93	Very high	96.3	Very high	79 Å²	79	26.9 Å²	26.9	42%	0.422	13%	0.13	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.4	-5.3	-176.3	-58.6	-44	0	0	0	113.7	E874 Y926	E874-N928 PolarHBondContact O-ND2 2.88Å; Y926-N928 VanDerWaalsContact C-N 3.31Å; Y926-N928 PolarHBondContact O-N 2.79Å
929	A	95.4	Very high	96.3	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	14%	0.138	C	C	.	.	P	Polyproline II helix	trans	-81.5	138	-170.1	0	0	0	0	0	112.8	V876 K877 L879 Y926 I931 R962	V876-A929 HydrophobicContact CG1-CB 4.14Å; K877-A929 WeakPolarHBondContact O-CA 3.35Å; L879-A929 HydrophobicContact CB-CB 4.11Å; Y926-A929 PolarHBondContact O-N 3.32Å; A929-I931 PolarHBondContact O-N 3.47Å; A929-R962 PolarHBondContact O-NH2 3.28Å
930	I	96	Very high	96.4	Very high	35 Å²	35	32.9 Å²	32.9	18%	0.179	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.1	128.4	163.2	-62.2	169.2	0	0	0	108.2	K877 K878 L879 H964 L968	K877-I930 PolarHBondContact O-N 3.14Å; K878-I930 CarbonylContact C-O 3.58Å; K878-I930 WeakPolarHBondContact CA-O 3.38Å; K878-I930 HydrophobicContact CG-CB 4.43Å; K878-I930 WeakPolarHBondContact CG-O 3.18Å; L879-I930 PolarHBondContact N-O 2.59Å; I930-H964 WeakPolarHBondContact CG1-NE2 3.33Å; I930-H964 PolarHBondContact N-CD2 3.24Å; I930-L968 HydrophobicContact CG2-CD1 3.6Å; I930-L968 HydrophobicContact CG2-CG 4.37Å
931	I	96.6	Very high	96.5	Very high	1 Å²	1	31.6 Å²	31.6	1%	0.005	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	124.8	-180	-47.1	160	0	0	0	108.6	I881 L923 A929 I955 H964 I967 L968	I881-I931 HydrophobicContact CD1-CG2 4.05Å; L923-I931 HydrophobicContact CD2-CD1 3.37Å; L923-I931 HydrophobicContact CD2-CG1 3.72Å; L923-I931 HydrophobicContact CD2-CG2 4.03Å; A929-I931 PolarHBondContact O-N 3.47Å; I931-I955 HydrophobicContact CD1-CD1 3.46Å; I931-I955 VanDerWaalsContact CD1-CD1 3.46Å; I931-I955 HydrophobicContact CD1-CG1 4.19Å; I931-H964 WeakPolarHBondContact CD1-O 3.47Å; I931-I967 HydrophobicContact CG2-CB 4.38Å; I931-I967 HydrophobicContact CG2-CD1 4.1Å; I931-I967 HydrophobicContact CG2-CG1 3.93Å; I931-L968 PolarHBondContact O-N 3.4Å
932	Q	97.5	Very high	96.6	Very high	13 Å²	13	26.9 Å²	26.9	6%	0.061	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	126.3	-179.6	-168.8	164.2	30.6	0	0	111.3	L879 I880 I881 V934 L968 A970 A997	L879-Q932 PolarHBondContact O-N 3.17Å; I880-Q932 CarbonylContact C-O 3.39Å; I880-Q932 WeakPolarHBondContact CA-O 3.44Å; I881-Q932 PolarHBondContact N-O 3.31Å; Q932-V934 HydrophobicContact CG-CG2 4.08Å; Q932-L968 CarbonylContact C-O 3.51Å; Q932-L968 WeakPolarHBondContact CA-O 3.42Å; Q932-L968 HydrophobicContact CB-CB 4.43Å; Q932-L968 HydrophobicContact CG-CB 4.2Å; Q932-A970 HydrophobicContact CG-CB 4.28Å; Q932-A970 VanDerWaalsContact NE2-CB 3.3Å; Q932-A997 PolarHBondContact OE1-O 3.48Å
933	W	98.3	Very high	96.7	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	126.2	165.1	-179.1	-98.6	0	0	0	109.4	I881 V908 L911 P943 W944 V947 I967 L968 A970	I881-W933 HydrophobicContact CB-CE3 4.13Å; I881-W933 HydrophobicContact CG2-CE3 3.82Å; I881-W933 HydrophobicContact CG2-CZ3 3.72Å; I881-W933 CarbonylContact O-C 3.48Å; I881-W933 VanDerWaalsContact O-CA 3.31Å; I881-W933 WeakPolarHBondContact O-CA 3.24Å; V908-W933 HydrophobicContact CG2-CZ3 4.03Å; L911-W933 HydrophobicContact CD2-CH2 4.33Å; W933-P943 HydrophobicContact CH2-CB 4.08Å; W933-P943 HydrophobicContact CH2-CG 4.35Å; W933-P943 HydrophobicContact CZ2-CB 3.55Å; W933-P943 HydrophobicContact CZ2-CG 3.73Å; W933-W944 HydrophobicContact CB-CE3 3.71Å; W933-W944 HydrophobicContact CB-CZ3 3.64Å; W933-W944 AromaticContact CD1-CE3 3.58Å; W933-W944 AromaticContact CG-CE3 3.78Å; W933-W944 HydrophobicContact CG-CE3 3.78Å; W933-W944 HydrophobicContact CG-CZ3 4.23Å; W933-V947 HydrophobicContact CD2-CG1 4.24Å; W933-V947 HydrophobicContact CE3-CB 4.32Å; W933-V947 HydrophobicContact CE3-CG1 3.7Å; W933-V947 HydrophobicContact CE3-CG2 4.36Å; W933-V947 HydrophobicContact CH2-CG2 3.87Å; W933-V947 HydrophobicContact CZ2-CG2 4.23Å; W933-V947 HydrophobicContact CZ3-CB 4.38Å; W933-V947 HydrophobicContact CZ3-CG1 3.91Å; W933-V947 HydrophobicContact CZ3-CG2 3.93Å; W933-I967 HydrophobicContact CB-CD1 3.77Å; W933-I967 HydrophobicContact CB-CG1 4.04Å; W933-L968 PolarHBondContact N-O 3.41Å; W933-A970 PolarHBondContact O-N 2.77Å
934	V	98.5	Very high	96.8	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	127.9	176.8	-174	0	0	0	0	110.1	I880 I881 C882 I886 L890 Q932 A970 A997	I880-V934 HydrophobicContact CB-CG2 4.44Å; I880-V934 HydrophobicContact CD1-CG2 4.46Å; I880-V934 HydrophobicContact CG1-CG2 4.3Å; I880-V934 HydrophobicContact CG2-CB 3.9Å; I880-V934 HydrophobicContact CG2-CG2 3.49Å; I880-V934 VanDerWaalsContact CG2-CG2 3.49Å; I881-V934 PolarHBondContact O-N 3.26Å; C882-V934 WeakPolarHBondContact CA-O 3.41Å; C882-V934 WeakPolarHBondContact CB-O 3.29Å; I886-V934 HydrophobicContact CG1-CG1 4.41Å; L890-V934 HydrophobicContact CD1-CB 4.06Å; L890-V934 HydrophobicContact CD1-CG1 3.91Å; L890-V934 HydrophobicContact CD2-CG1 3.93Å; L890-V934 HydrophobicContact CG-CG1 4.4Å; Q932-V934 HydrophobicContact CG-CG2 4.08Å; V934-A970 VanDerWaalsContact CA-O 3.32Å; V934-A970 WeakPolarHBondContact CA-O 3.27Å; V934-A970 HydrophobicContact CG2-CB 4.21Å; V934-A997 HydrophobicContact CG1-CB 4.02Å; V934-A997 HydrophobicContact CG2-CB 3.71Å
935	Q	98.3	Very high	96.9	Very high	2 Å²	2	26 Å²	26	1%	0.009	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	156.9	178.6	75.7	177.6	39	0	0	111.1	E937 H938 M941 W944 Y969 A970 G971	Q935-E937 WeakPolarHBondContact CB-OE2 3.2Å; Q935-E937 PolarHBondContact NE2-O 3.4Å; Q935-H938 PolarHBondContact NE2-O 3.41Å; Q935-M941 PolarHBondContact NE2-O 3.1Å; Q935-W944 VanDerWaalsContact OE1-CB 3.25Å; Q935-Y969 HydrophobicContact CG-CE2 3.99Å; Q935-A970 PolarHBondContact N-O 3.23Å; Q935-G971 VanDerWaalsContact O-CA 3.26Å; Q935-G971 WeakPolarHBondContact O-CA 3.32Å
936	E	97.8	Very high	97.1	Very high	6 Å²	6	21.6 Å²	21.6	3%	0.028	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	-26.5	176.3	60.5	178.8	-167.4	0	0	112.1	G761 Y762 K885 I886 R972	G761-E936 VanDerWaalsContact CA-OE1 3.26Å; G761-E936 WeakPolarHBondContact CA-OE1 3.47Å; Y762-E936 HydrophobicContact CD2-CG 3.82Å; Y762-E936 HydrophobicContact CG-CB 4.41Å; Y762-E936 HydrophobicContact CG-CG 4.08Å; Y762-E936 PolarHBondContact N-OE1 3.34Å; Y762-E936 PolarHBondContact N-OE2 3.12Å; K885-E936 WeakPolarHBondContact CE-OE1 3.16Å; K885-E936 WeakPolarHBondContact CE-OE2 3.49Å; K885-E936 IonicContact NZ-OE1 2.82Å; K885-E936 IonicContact NZ-OE2 3.76Å; K885-E936 PolarHBondContact NZ-OE2 3.18Å; I886-E936 HydrophobicContact CD1-CB 4.44Å; E936-R972 WeakPolarHBondContact O-CD 3.48Å; E936-R972 WeakPolarHBondContact O-CG 3.47Å; E936-R972 PolarHBondContact O-NH1 3.23Å
937	E	98.3	Very high	97.2	Very high	4 Å²	4	21.7 Å²	21.7	2%	0.019	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	153.4	-178	-53.8	94.9	131.1	0	0	112	H760 Y762 Q935 M941 Y969	H760-E937 IonicContact CE1-OE1 3.42Å; H760-E937 IonicContact NE2-OE1 2.63Å; H760-E937 PolarHBondContact NE2-OE1 3.09Å; Y762-E937 HydrophobicContact CD2-CG 4.25Å; Y762-E937 HydrophobicContact CE2-CB 4.14Å; Y762-E937 HydrophobicContact CE2-CG 3.47Å; Y762-E937 VanDerWaalsContact CE2-CG 3.47Å; Q935-E937 WeakPolarHBondContact CB-OE2 3.2Å; Q935-E937 PolarHBondContact NE2-O 3.4Å; E937-M941 HydrophobicContact CB-CB 4.03Å; E937-Y969 PolarHBondContact O-OH 2.95Å
938	H	97.7	Very high	97.4	Very high	5 Å²	5	23.1 Å²	23.1	2%	0.023	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-54.1	148.3	171	-67.4	-79.4	0	0	0	111.1	Q935 N940 M941 R972 Q973 S975 T978 E989	Q935-H938 PolarHBondContact NE2-O 3.41Å; H938-N940 WeakPolarHBondContact CB-OD1 3.36Å; H938-N940 PolarHBondContact O-N 2.7Å; H938-M941 HydrophobicContact CB-CB 4.43Å; H938-M941 HydrophobicContact CB-CE 4.5Å; H938-M941 HydrophobicContact CB-CG 4.23Å; H938-M941 HydrophobicContact CB-SD 4.15Å; H938-M941 CarbonylContact O-C 3.6Å; H938-M941 WeakPolarHBondContact O-CA 3.36Å; H938-M941 WeakPolarHBondContact O-CB 3.31Å; H938-M941 PolarHBondContact O-N 3.41Å; H938-R972 CarbonylContact C-O 3.57Å; H938-R972 HydrophobicContact CB-CB 4.39Å; H938-R972 WeakPolarHBondContact ND1-CB 3.49Å; H938-Q973 WeakPolarHBondContact CB-O 3.41Å; H938-Q973 PolarHBondContact ND1-O 3.15Å; H938-S975 WeakPolarHBondContact CE1-CB 3.5Å; H938-S975 VanDerWaalsContact CG-CB 3.44Å; H938-S975 WeakPolarHBondContact ND1-CB 3.38Å; H938-T978 PolarHBondContact CD2-O 3.38Å; H938-T978 VanDerWaalsContact CD2-O 3.29Å; H938-E989 IonicContact CE1-OE1 2.77Å
939	K	98	Very high	97.6	Very high	87 Å²	87	20.6 Å²	20.6	38%	0.378	11%	0.108	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.7	-27.2	-175.6	-175.6	178.2	178.7	-177.7	0	114.9	M941 Y969 R972 P974	K939-M941 VanDerWaalsContact C-N 3.31Å; K939-Y969 VanDerWaalsContact CA-OH 3.24Å; K939-Y969 WeakPolarHBondContact CA-OH 3.38Å; K939-Y969 HydrophobicContact CB-CE1 3.75Å; K939-Y969 HydrophobicContact CB-CE2 4.28Å; K939-Y969 HydrophobicContact CD-CD1 4.07Å; K939-Y969 HydrophobicContact CD-CE1 4.03Å; K939-Y969 HydrophobicContact CG-CD1 4.2Å; K939-Y969 HydrophobicContact CG-CE1 3.86Å; K939-Y969 HydrophobicContact CG-CE2 4.19Å; K939-Y969 PolarHBondContact N-OH 3.24Å; K939-R972 PolarHBondContact N-O 2.79Å; K939-P974 HydrophobicContact CB-CG 4.01Å; K939-P974 HydrophobicContact CD-CG 4.35Å
940	N	97.8	Very high	97.6	Very high	81 Å²	81	21.4 Å²	21.4	43%	0.433	11%	0.111	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.1	9.7	174.8	65.1	-54.5	0	0	0	113.8	H938 P974 S975	H938-N940 WeakPolarHBondContact CB-OD1 3.36Å; H938-N940 PolarHBondContact O-N 2.7Å; N940-P974 HydrophobicContact CB-CB 4.46Å; N940-P974 VanDerWaalsContact OD1-CA 3.27Å; N940-P974 WeakPolarHBondContact OD1-CA 3.44Å; N940-S975 PolarHBondContact ND2-O 3.39Å; N940-S975 PolarHBondContact OD1-N 3.19Å; N940-S975 PolarHBondContact OD1-O 2.8Å
941	M	98.3	Very high	97.6	Very high	4 Å²	4	19.9 Å²	19.9	2%	0.02	10%	0.104	C	C	.	.	S	Bend	trans	-134.1	178.1	-179	-57.9	-178.3	-168	0	0	109.4	E775 Q935 E937 H938 K939 S975 A977 T978	E775-M941 HydrophobicContact CG-CB 4.44Å; E775-M941 WeakPolarHBondContact OE2-CA 3.39Å; Q935-M941 PolarHBondContact NE2-O 3.1Å; E937-M941 HydrophobicContact CB-CB 4.03Å; H938-M941 HydrophobicContact CB-CB 4.43Å; H938-M941 HydrophobicContact CB-CE 4.5Å; H938-M941 HydrophobicContact CB-CG 4.23Å; H938-M941 HydrophobicContact CB-SD 4.15Å; H938-M941 CarbonylContact O-C 3.6Å; H938-M941 WeakPolarHBondContact O-CA 3.36Å; H938-M941 WeakPolarHBondContact O-CB 3.31Å; H938-M941 PolarHBondContact O-N 3.41Å; K939-M941 VanDerWaalsContact C-N 3.31Å; M941-S975 VanDerWaalsContact CE-O 3.3Å; M941-S975 WeakPolarHBondContact CE-O 3.34Å; M941-A977 VanDerWaalsContact CE-O 3.28Å; M941-A977 WeakPolarHBondContact CE-O 3.45Å; M941-T978 HydrophobicContact SD-CG2 4.22Å
942	G	98.1	Very high	97.6	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.6	-166.1	-178.4	0	0	0	0	0	112.4	E775 W944	E775-G942 WeakPolarHBondContact CB-O 3.26Å; E775-G942 PolarHBondContact OE2-N 3.06Å; G942-W944 PolarHBondContact O-N 3.2Å
943	P	98.3	Very high	97.5	Very high	1 Å²	1	22.9 Å²	22.9	1%	0.006	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80	-8.6	-171.9	-16.5	31.9	0	0	0	115.8	I774 L778 L911 W933 S945 Y946 V947	I774-P943 HydrophobicContact CG2-CG 4.09Å; L778-P943 HydrophobicContact CD1-CB 3.78Å; L778-P943 HydrophobicContact CD1-CG 4.32Å; L911-P943 HydrophobicContact CD1-CB 4.36Å; L911-P943 HydrophobicContact CD1-CG 3.85Å; L911-P943 HydrophobicContact CD2-CB 3.82Å; L911-P943 HydrophobicContact CD2-CG 3.91Å; W933-P943 HydrophobicContact CH2-CB 4.08Å; W933-P943 HydrophobicContact CH2-CG 4.35Å; W933-P943 HydrophobicContact CZ2-CB 3.55Å; W933-P943 HydrophobicContact CZ2-CG 3.73Å; P943-S945 PolarHBondContact O-N 2.65Å; P943-Y946 WeakPolarHBondContact O-CB 3.1Å; P943-Y946 PolarHBondContact O-N 3.18Å; P943-V947 HydrophobicContact CB-CG2 3.88Å; P943-V947 WeakPolarHBondContact O-CG2 3.44Å; P943-V947 PolarHBondContact O-N 2.89Å
944	W	98.3	Very high	97.4	Very high	14 Å²	14	22.9 Å²	22.9	5%	0.053	12%	0.118	C	C	.	.	H	α-helix	trans	-49.2	-50.3	-171.5	171	-113.6	0	0	0	114.3	W933 Q935 G942 Y946 V947 Q948 I967 Y969	W933-W944 HydrophobicContact CB-CE3 3.71Å; W933-W944 HydrophobicContact CB-CZ3 3.64Å; W933-W944 AromaticContact CD1-CE3 3.58Å; W933-W944 AromaticContact CG-CE3 3.78Å; W933-W944 HydrophobicContact CG-CE3 3.78Å; W933-W944 HydrophobicContact CG-CZ3 4.23Å; Q935-W944 VanDerWaalsContact OE1-CB 3.25Å; G942-W944 PolarHBondContact O-N 3.2Å; W944-Y946 PolarHBondContact O-N 3.14Å; W944-V947 PolarHBondContact O-N 3.21Å; W944-Q948 HydrophobicContact CD2-CB 4.11Å; W944-Q948 HydrophobicContact CE3-CB 4.03Å; W944-Q948 HydrophobicContact CH2-CB 3.88Å; W944-Q948 HydrophobicContact CH2-CG 3.62Å; W944-Q948 HydrophobicContact CZ2-CB 3.92Å; W944-Q948 HydrophobicContact CZ2-CG 3.63Å; W944-Q948 VanDerWaalsContact CZ2-NE2 3.31Å; W944-Q948 HydrophobicContact CZ3-CB 3.92Å; W944-Q948 HydrophobicContact CZ3-CG 4.16Å; W944-Q948 WeakPolarHBondContact O-CB 3.29Å; W944-Q948 PolarHBondContact O-N 3.22Å; W944-I967 HydrophobicContact CH2-CG2 3.99Å; W944-I967 HydrophobicContact CZ3-CG1 4.37Å; W944-I967 HydrophobicContact CZ3-CG2 3.9Å; W944-Y969 HydrophobicContact CB-CD2 4.18Å; W944-Y969 HydrophobicContact CB-CE2 4.03Å; W944-Y969 AromaticContact CD2-CD2 3.45Å; W944-Y969 HydrophobicContact CD2-CD2 3.45Å; W944-Y969 VanDerWaalsContact CD2-CD2 3.45Å; W944-Y969 HydrophobicContact CD2-CE2 4.2Å; W944-Y969 HydrophobicContact CD2-CG 4.22Å; W944-Y969 AromaticContact CE2-CD2 3.82Å; W944-Y969 AromaticContact CE3-CD2 3.79Å; W944-Y969 HydrophobicContact CE3-CD2 3.79Å; W944-Y969 AromaticContact CG-CD2 3.62Å; W944-Y969 HydrophobicContact CG-CD2 3.62Å; W944-Y969 AromaticContact CG-CE2 3.88Å; W944-Y969 HydrophobicContact CG-CE2 3.88Å; W944-Y969 HydrophobicContact CZ2-CD2 4.39Å; W944-Y969 HydrophobicContact CZ2-CG 4.38Å; W944-Y969 HydrophobicContact CZ3-CD2 4.38Å
945	S	97	Very high	97.3	Very high	69 Å²	69	22.9 Å²	22.9	48%	0.483	12%	0.119	S	C	.	.	H	α-helix	trans	-67.8	-21.3	-177.7	54.1	0	0	0	0	113.8	P943 P949	P943-S945 PolarHBondContact O-N 2.65Å; S945-P949 VanDerWaalsContact O-CD 3.3Å; S945-P949 WeakPolarHBondContact O-CD 3.43Å
946	Y	97.7	Very high	97.1	Very high	9 Å²	9	30.2 Å²	30.2	4%	0.035	15%	0.151	C	C	.	.	H	α-helix	trans	-86.3	-44.2	175.5	177.3	-92.1	0	0	0	111.5	L778 C781 D783 L911 T912 F914 P943 W944 R950	L778-Y946 HydrophobicContact CB-CD2 3.77Å; L778-Y946 HydrophobicContact CB-CE2 4.47Å; L778-Y946 HydrophobicContact CB-CG 3.9Å; L778-Y946 HydrophobicContact CD1-CD1 4.28Å; L778-Y946 HydrophobicContact CD1-CG 4.05Å; L778-Y946 HydrophobicContact CD2-CD1 3.93Å; L778-Y946 HydrophobicContact CD2-CD2 4.09Å; L778-Y946 HydrophobicContact CD2-CE1 4.05Å; L778-Y946 HydrophobicContact CD2-CE2 4.19Å; L778-Y946 HydrophobicContact CD2-CG 3.95Å; L778-Y946 HydrophobicContact CG-CD2 4.4Å; L778-Y946 HydrophobicContact CG-CG 4.19Å; C781-Y946 HydrophobicContact CB-CE2 4.13Å; D783-Y946 WeakPolarHBondContact OD1-CE2 3.38Å; D783-Y946 PolarHBondContact OD1-OH 3.17Å; D783-Y946 PolarHBondContact OD2-OH 3.43Å; L911-Y946 WeakPolarHBondContact O-CE1 3.5Å; T912-Y946 PolarHBondContact OG1-OH 3.46Å; F914-Y946 HydrophobicContact CB-CE1 4.34Å; F914-Y946 HydrophobicContact CD2-CE1 4.02Å; P943-Y946 WeakPolarHBondContact O-CB 3.1Å; P943-Y946 PolarHBondContact O-N 3.18Å; W944-Y946 PolarHBondContact O-N 3.14Å; Y946-R950 VanDerWaalsContact CD2-CZ 3.48Å; Y946-R950 VanDerWaalsContact CE2-NH2 3.28Å; Y946-R950 VanDerWaalsContact CZ-NE 3.28Å; Y946-R950 WeakPolarHBondContact O-CD 3.41Å; Y946-R950 PolarHBondContact O-NH1 2.81Å
947	V	97.6	Very high	97	Very high	2 Å²	2	36.3 Å²	36.3	1%	0.012	17%	0.174	C	C	.	.	H	α-helix	trans	-74.6	-41.2	-175.4	175.3	0	0	0	0	112.1	F914 W933 P943 W944 R950 A951	F914-V947 HydrophobicContact CE2-CB 4.39Å; F914-V947 HydrophobicContact CE2-CG1 4.03Å; F914-V947 HydrophobicContact CE2-CG2 4.06Å; F914-V947 HydrophobicContact CZ-CG1 4.17Å; W933-V947 HydrophobicContact CD2-CG1 4.24Å; W933-V947 HydrophobicContact CE3-CB 4.32Å; W933-V947 HydrophobicContact CE3-CG1 3.7Å; W933-V947 HydrophobicContact CE3-CG2 4.36Å; W933-V947 HydrophobicContact CH2-CG2 3.87Å; W933-V947 HydrophobicContact CZ2-CG2 4.23Å; W933-V947 HydrophobicContact CZ3-CB 4.38Å; W933-V947 HydrophobicContact CZ3-CG1 3.91Å; W933-V947 HydrophobicContact CZ3-CG2 3.93Å; P943-V947 HydrophobicContact CB-CG2 3.88Å; P943-V947 WeakPolarHBondContact O-CG2 3.44Å; P943-V947 PolarHBondContact O-N 2.89Å; W944-V947 PolarHBondContact O-N 3.21Å; V947-R950 PolarHBondContact O-N 2.86Å; V947-A951 HydrophobicContact CG1-CB 4.34Å; V947-A951 VanDerWaalsContact O-CB 3.31Å; V947-A951 WeakPolarHBondContact O-CB 3.48Å; V947-A951 PolarHBondContact O-N 3.3Å
948	Q	97.1	Very high	96.7	Very high	73 Å²	73	38.4 Å²	38.4	34%	0.341	19%	0.186	S	C	.	.	H	α-helix	trans	-52.8	-54.8	-175.3	-178.9	-173.2	20.4	0	0	113.7	W944 N952 I967	W944-Q948 HydrophobicContact CD2-CB 4.11Å; W944-Q948 HydrophobicContact CE3-CB 4.03Å; W944-Q948 HydrophobicContact CH2-CB 3.88Å; W944-Q948 HydrophobicContact CH2-CG 3.62Å; W944-Q948 HydrophobicContact CZ2-CB 3.92Å; W944-Q948 HydrophobicContact CZ2-CG 3.63Å; W944-Q948 VanDerWaalsContact CZ2-NE2 3.31Å; W944-Q948 HydrophobicContact CZ3-CB 3.92Å; W944-Q948 HydrophobicContact CZ3-CG 4.16Å; W944-Q948 WeakPolarHBondContact O-CB 3.29Å; W944-Q948 PolarHBondContact O-N 3.22Å; Q948-N952 WeakPolarHBondContact O-CB 3.47Å; Q948-N952 VanDerWaalsContact O-CG 3.25Å; Q948-N952 PolarHBondContact O-N 3.27Å; Q948-N952 VanDerWaalsContact O-N 3.07Å; Q948-N952 PolarHBondContact O-ND2 3.48Å; Q948-N952 VanDerWaalsContact O-ND2 3.13Å; Q948-I967 HydrophobicContact CB-CG2 4.45Å; Q948-I967 HydrophobicContact CG-CG2 4.13Å
949	P	96.6	Very high	96.5	Very high	27 Å²	27	39.3 Å²	39.3	18%	0.175	19%	0.191	C	C	.	.	H	α-helix	trans	-64.9	-42.6	-177.9	25	-34.3	0	0	0	111.9	E785 S945 N952 H953	E785-P949 HydrophobicContact CB-CB 4.03Å; E785-P949 HydrophobicContact CB-CG 4.13Å; E785-P949 HydrophobicContact CG-CB 4.25Å; E785-P949 WeakPolarHBondContact OE2-CB 3.37Å; E785-P949 VanDerWaalsContact OE2-CG 3.26Å; E785-P949 WeakPolarHBondContact OE2-CG 3.49Å; S945-P949 VanDerWaalsContact O-CD 3.3Å; S945-P949 WeakPolarHBondContact O-CD 3.43Å; P949-N952 PolarHBondContact O-N 2.95Å; P949-H953 VanDerWaalsContact O-CB 3.27Å; P949-H953 WeakPolarHBondContact O-CB 3.22Å; P949-H953 PolarHBondContact O-N 3.09Å
950	R	96.7	Very high	96.1	Very high	16 Å²	16	38.8 Å²	38.8	6%	0.06	20%	0.196	C	C	.	.	H	α-helix	trans	-62.9	-47.3	-179.9	-66.4	171.7	175.4	59.2	8.8	112.8	D783 E785 F914 Y916 Y946 V947 H953 L954	D783-R950 PolarHBondContact O-NH2 2.82Å; D783-R950 IonicContact OD1-NH2 3.75Å; D783-R950 IonicContact OD2-CZ 3.92Å; D783-R950 IonicContact OD2-NE 3.61Å; D783-R950 PolarHBondContact OD2-NE 3.15Å; D783-R950 IonicContact OD2-NH2 2.72Å; D783-R950 PolarHBondContact OD2-NH2 3.34Å; E785-R950 HydrophobicContact CB-CG 4.18Å; F914-R950 HydrophobicContact CD1-CB 3.97Å; F914-R950 HydrophobicContact CE1-CB 3.78Å; F914-R950 HydrophobicContact CG-CB 4.46Å; F914-R950 HydrophobicContact CZ-CB 4.14Å; Y916-R950 HydrophobicContact CE1-CB 4.23Å; Y916-R950 WeakPolarHBondContact OH-CG 3.48Å; Y946-R950 VanDerWaalsContact CD2-CZ 3.48Å; Y946-R950 VanDerWaalsContact CE2-NH2 3.28Å; Y946-R950 VanDerWaalsContact CZ-NE 3.28Å; Y946-R950 WeakPolarHBondContact O-CD 3.41Å; Y946-R950 PolarHBondContact O-NH1 2.81Å; V947-R950 PolarHBondContact O-N 2.86Å; R950-H953 PolarHBondContact O-N 2.99Å; R950-L954 WeakPolarHBondContact O-CB 3.39Å; R950-L954 PolarHBondContact O-N 3.3Å
951	A	96	Very high	95.7	Very high	4 Å²	4	42.6 Å²	42.6	3%	0.033	22%	0.217	C	C	.	.	H	α-helix	trans	-66.3	-43.1	178.6	0	0	0	0	0	111.7	V947 L954 I955 I967	V947-A951 HydrophobicContact CG1-CB 4.34Å; V947-A951 VanDerWaalsContact O-CB 3.31Å; V947-A951 WeakPolarHBondContact O-CB 3.48Å; V947-A951 PolarHBondContact O-N 3.3Å; A951-L954 PolarHBondContact O-N 2.85Å; A951-I955 WeakPolarHBondContact O-CD1 3.3Å; A951-I955 VanDerWaalsContact O-CG1 3.24Å; A951-I955 WeakPolarHBondContact O-CG1 3.38Å; A951-I955 PolarHBondContact O-N 2.94Å; A951-I967 HydrophobicContact CB-CD1 4.2Å; A951-I967 HydrophobicContact CB-CG2 4.37Å
952	N	96.2	Very high	95.4	Very high	36 Å²	36	43.5 Å²	43.5	19%	0.193	22%	0.22	C	C	.	.	H	α-helix	trans	-64.5	-40.7	176.5	-74.5	-28	0	0	0	111.9	Q948 P949 I955 F956 K966 I967	Q948-N952 WeakPolarHBondContact O-CB 3.47Å; Q948-N952 VanDerWaalsContact O-CG 3.25Å; Q948-N952 PolarHBondContact O-N 3.27Å; Q948-N952 VanDerWaalsContact O-N 3.07Å; Q948-N952 PolarHBondContact O-ND2 3.48Å; Q948-N952 VanDerWaalsContact O-ND2 3.13Å; P949-N952 PolarHBondContact O-N 2.95Å; N952-I955 PolarHBondContact O-N 2.61Å; N952-F956 WeakPolarHBondContact O-CB 3.3Å; N952-F956 PolarHBondContact O-N 3.22Å; N952-K966 WeakPolarHBondContact OD1-CA 3.24Å; N952-I967 WeakPolarHBondContact OD1-CG2 3.36Å; N952-I967 PolarHBondContact OD1-N 3.05Å
953	H	95.8	Very high	94.9	Very high	40 Å²	40	49.4 Å²	49.4	19%	0.185	25%	0.251	C	S	.	.	H	α-helix	trans	-66.2	-40.7	177.1	-175.9	70.9	0	0	0	111.7	N786 P949 R950 F956 R957	N786-H953 VanDerWaalsContact C-CD2 3.45Å; N786-H953 VanDerWaalsContact C-NE2 3.33Å; N786-H953 PolarHBondContact O-CE1 3.28Å; N786-H953 PolarHBondContact O-NE2 2.85Å; P949-H953 VanDerWaalsContact O-CB 3.27Å; P949-H953 WeakPolarHBondContact O-CB 3.22Å; P949-H953 PolarHBondContact O-N 3.09Å; R950-H953 PolarHBondContact O-N 2.99Å; H953-F956 PolarHBondContact O-N 3.12Å; H953-R957 WeakPolarHBondContact O-CB 3.33Å; H953-R957 PolarHBondContact O-N 3.01Å
954	L	96.1	Very high	94.5	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-55.7	-54.2	171.8	176.4	62.6	0	0	0	111.4	V788 Y916 I919 Q920 L923 R950 A951 F956 R957 T958	V788-L954 HydrophobicContact CG1-CD1 3.88Å; V788-L954 HydrophobicContact CG2-CB 4.24Å; V788-L954 HydrophobicContact CG2-CD1 3.99Å; Y916-L954 HydrophobicContact CD1-CB 4.23Å; Y916-L954 HydrophobicContact CD1-CD1 4.22Å; Y916-L954 HydrophobicContact CD1-CD2 4.23Å; Y916-L954 HydrophobicContact CD1-CG 4.46Å; Y916-L954 HydrophobicContact CE1-CB 4.44Å; I919-L954 HydrophobicContact CB-CD2 4.31Å; I919-L954 HydrophobicContact CG2-CD2 3.91Å; Q920-L954 HydrophobicContact CB-CD1 4.28Å; Q920-L954 HydrophobicContact CB-CD2 4.15Å; L923-L954 HydrophobicContact CD1-CD2 4.14Å; R950-L954 WeakPolarHBondContact O-CB 3.39Å; R950-L954 PolarHBondContact O-N 3.3Å; A951-L954 PolarHBondContact O-N 2.85Å; L954-F956 VanDerWaalsContact C-N 3.34Å; L954-F956 PolarHBondContact O-N 3.49Å; L954-R957 PolarHBondContact O-N 3.44Å; L954-R957 VanDerWaalsContact O-N 3.16Å; L954-T958 HydrophobicContact CD1-CG2 3.87Å; L954-T958 PolarHBondContact O-N 2.99Å; L954-T958 PolarHBondContact O-OG1 3.4Å
955	I	95.7	Very high	94.1	Very high	1 Å²	1	55.8 Å²	55.8	1%	0.005	28%	0.284	C	S	.	.	H	α-helix	trans	-58.5	-46.3	179.7	-64.1	157.8	0	0	0	110.9	L923 I931 A951 N952 R957 M959 N965	L923-I955 HydrophobicContact CD1-CG1 3.83Å; I931-I955 HydrophobicContact CD1-CD1 3.46Å; I931-I955 VanDerWaalsContact CD1-CD1 3.46Å; I931-I955 HydrophobicContact CD1-CG1 4.19Å; A951-I955 WeakPolarHBondContact O-CD1 3.3Å; A951-I955 VanDerWaalsContact O-CG1 3.24Å; A951-I955 WeakPolarHBondContact O-CG1 3.38Å; A951-I955 PolarHBondContact O-N 2.94Å; N952-I955 PolarHBondContact O-N 2.61Å; I955-R957 VanDerWaalsContact C-N 3.29Å; I955-R957 PolarHBondContact O-N 3.3Å; I955-M959 CarbonylContact O-C 3.37Å; I955-M959 WeakPolarHBondContact O-CA 3.42Å; I955-M959 PolarHBondContact O-N 3.15Å; I955-N965 HydrophobicContact CG2-CB 4.15Å
956	F	94.8	Very high	93.9	Very high	155 Å²	155	59.2 Å²	59.2	68%	0.68	29%	0.29	S	S	*	.	H	α-helix	trans	-58.7	-40.6	178.2	174.5	-100.9	0	0	0	112.4	N952 H953 L954	N952-F956 WeakPolarHBondContact O-CB 3.3Å; N952-F956 PolarHBondContact O-N 3.22Å; H953-F956 PolarHBondContact O-N 3.12Å; L954-F956 VanDerWaalsContact C-N 3.34Å; L954-F956 PolarHBondContact O-N 3.49Å
957	R	94.3	Very high	93.8	Very high	135 Å²	135	59.1 Å²	59.1	51%	0.509	29%	0.29	S	S	.	.	H	α-helix	trans	-77.4	-43.4	-177.3	-168.5	-165.8	-171.7	-163.9	13.8	113	V788 H953 L954 I955	V788-R957 VanDerWaalsContact CB-NH1 3.28Å; V788-R957 HydrophobicContact CG2-CB 4.41Å; V788-R957 PolarHBondContact O-NH1 3.45Å; H953-R957 WeakPolarHBondContact O-CB 3.33Å; H953-R957 PolarHBondContact O-N 3.01Å; L954-R957 PolarHBondContact O-N 3.44Å; L954-R957 VanDerWaalsContact O-N 3.16Å; I955-R957 VanDerWaalsContact C-N 3.29Å; I955-R957 PolarHBondContact O-N 3.3Å
958	T	92.8	Very high	93.7	Very high	47 Å²	47	63.2 Å²	63.2	29%	0.288	31%	0.312	S	S	.	.	H	α-helix	trans	-104.6	-21.4	-167.9	63.4	0	0	0	0	113.7	L954	L954-T958 HydrophobicContact CD1-CG2 3.87Å; L954-T958 PolarHBondContact O-N 2.99Å; L954-T958 PolarHBondContact O-OG1 3.4Å
959	M	93	Very high	93.7	Very high	24 Å²	24	61.8 Å²	61.8	12%	0.118	30%	0.303	C	S	.	.			trans	-140.7	55.3	-175	-56.6	173.7	-141.4	0	0	112.2	Q920 L923 E924 I955 D961 R962	Q920-M959 HydrophobicContact CB-CE 4.4Å; Q920-M959 HydrophobicContact CG-CE 3.57Å; L923-M959 HydrophobicContact CB-CE 3.62Å; L923-M959 HydrophobicContact CB-SD 3.8Å; L923-M959 HydrophobicContact CD1-CE 4.25Å; E924-M959 HydrophobicContact CG-CE 3.61Å; E924-M959 HydrophobicContact CG-SD 4.19Å; I955-M959 CarbonylContact O-C 3.37Å; I955-M959 WeakPolarHBondContact O-CA 3.42Å; I955-M959 PolarHBondContact O-N 3.15Å; M959-D961 PolarHBondContact O-N 3.14Å; M959-D961 VanDerWaalsContact O-N 3.16Å; M959-R962 HydrophobicContact CB-CB 4.13Å; M959-R962 WeakPolarHBondContact O-CB 3.22Å; M959-R962 PolarHBondContact O-N 2.93Å; M959-R962 VanDerWaalsContact O-N 3.14Å
960	P	88.9	Confident	93.8	Very high	76 Å²	76	60.6 Å²	60.6	49%	0.494	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-28.7	-174.5	25.1	-35.2	0	0	0	113.7
961	D	91.2	Very high	93.8	Very high	162 Å²	162	60 Å²	60	87%	0.866	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90	2.9	-177	-58.5	-45.1	0	0	0	113.9	M959 L963	M959-D961 PolarHBondContact O-N 3.14Å; M959-D961 VanDerWaalsContact O-N 3.16Å; D961-L963 PolarHBondContact O-N 3.3Å
962	R	91.9	Very high	93.9	Very high	22 Å²	22	60 Å²	60	8%	0.083	29%	0.294	C	S	.	.			trans	-63.2	135.4	179.2	-172.3	-173.6	177.9	98.1	-0.1	110.8	L923 Y926 A929 M959 H964	L923-R962 VanDerWaalsContact C-NH1 3.33Å; L923-R962 PolarHBondContact O-NH1 2.93Å; Y926-R962 PolarHBondContact O-NH2 3.39Å; A929-R962 PolarHBondContact O-NH2 3.28Å; M959-R962 HydrophobicContact CB-CB 4.13Å; M959-R962 WeakPolarHBondContact O-CB 3.22Å; M959-R962 PolarHBondContact O-N 2.93Å; M959-R962 VanDerWaalsContact O-N 3.14Å; R962-H964 VanDerWaalsContact C-N 3.25Å; R962-H964 WeakPolarHBondContact CD-O 3.39Å; R962-H964 PolarHBondContact O-N 2.9Å
963	L	86.1	Confident	93.9	Very high	124 Å²	124	64 Å²	64	65%	0.649	31%	0.312	S	S	*	.	S	Bend	trans	-51.8	-43	179.8	-178	64.2	0	0	0	113.1	D961	D961-L963 PolarHBondContact O-N 3.3Å
964	H	89.8	Confident	93.9	Very high	61 Å²	61	65.9 Å²	65.9	28%	0.282	33%	0.328	S	S	.	.			trans	-112.7	91.6	177.9	-60.1	-61.7	0	0	0	109.9	I930 I931 R962	I930-H964 WeakPolarHBondContact CG1-NE2 3.33Å; I930-H964 PolarHBondContact N-CD2 3.24Å; I931-H964 WeakPolarHBondContact CD1-O 3.47Å; R962-H964 VanDerWaalsContact C-N 3.25Å; R962-H964 WeakPolarHBondContact CD-O 3.39Å; R962-H964 PolarHBondContact O-N 2.9Å
965	N	90.2	Very high	93.9	Very high	88 Å²	88	67.6 Å²	67.6	47%	0.471	34%	0.34	S	S	.	.			trans	-90.9	8.5	-172	67.5	3.3	0	0	0	115.1	I955	I955-N965 HydrophobicContact CG2-CB 4.15Å
966	K	92.9	Very high	93.9	Very high	142 Å²	142	72.6 Å²	72.6	62%	0.617	38%	0.381	S	S	*	.	S	Bend	trans	-136.2	140.3	178	-69.6	-176.1	-177.8	-178.6	0	111.2	N952	N952-K966 WeakPolarHBondContact OD1-CA 3.24Å
967	I	95.9	Very high	94	Very high	7 Å²	7	67.3 Å²	67.3	4%	0.036	37%	0.366	C	S	.	.			trans	-74.7	129	170.2	-165.4	162.6	0	0	0	110.5	I931 W933 W944 Q948 A951 N952	I931-I967 HydrophobicContact CG2-CB 4.38Å; I931-I967 HydrophobicContact CG2-CD1 4.1Å; I931-I967 HydrophobicContact CG2-CG1 3.93Å; W933-I967 HydrophobicContact CB-CD1 3.77Å; W933-I967 HydrophobicContact CB-CG1 4.04Å; W944-I967 HydrophobicContact CH2-CG2 3.99Å; W944-I967 HydrophobicContact CZ3-CG1 4.37Å; W944-I967 HydrophobicContact CZ3-CG2 3.9Å; Q948-I967 HydrophobicContact CB-CG2 4.45Å; Q948-I967 HydrophobicContact CG-CG2 4.13Å; A951-I967 HydrophobicContact CB-CD1 4.2Å; A951-I967 HydrophobicContact CB-CG2 4.37Å; N952-I967 WeakPolarHBondContact OD1-CG2 3.36Å; N952-I967 PolarHBondContact OD1-N 3.05Å
968	L	96.6	Very high	94.2	Very high	87 Å²	87	61.1 Å²	61.1	46%	0.455	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	157	174.6	-58.4	-176.3	0	0	0	110.9	I930 I931 Q932 W933	I930-L968 HydrophobicContact CG2-CD1 3.6Å; I930-L968 HydrophobicContact CG2-CG 4.37Å; I931-L968 PolarHBondContact O-N 3.4Å; Q932-L968 CarbonylContact C-O 3.51Å; Q932-L968 WeakPolarHBondContact CA-O 3.42Å; Q932-L968 HydrophobicContact CB-CB 4.43Å; Q932-L968 HydrophobicContact CG-CB 4.2Å; W933-L968 PolarHBondContact N-O 3.41Å
969	Y	97.3	Very high	94.4	Very high	43 Å²	43	59.1 Å²	59.1	17%	0.169	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	137	176.9	176.5	-102.3	0	0	0	111.1	Q935 E937 K939 W944 G971 R972	Q935-Y969 HydrophobicContact CG-CE2 3.99Å; E937-Y969 PolarHBondContact O-OH 2.95Å; K939-Y969 VanDerWaalsContact CA-OH 3.24Å; K939-Y969 WeakPolarHBondContact CA-OH 3.38Å; K939-Y969 HydrophobicContact CB-CE1 3.75Å; K939-Y969 HydrophobicContact CB-CE2 4.28Å; K939-Y969 HydrophobicContact CD-CD1 4.07Å; K939-Y969 HydrophobicContact CD-CE1 4.03Å; K939-Y969 HydrophobicContact CG-CD1 4.2Å; K939-Y969 HydrophobicContact CG-CE1 3.86Å; K939-Y969 HydrophobicContact CG-CE2 4.19Å; K939-Y969 PolarHBondContact N-OH 3.24Å; W944-Y969 HydrophobicContact CB-CD2 4.18Å; W944-Y969 HydrophobicContact CB-CE2 4.03Å; W944-Y969 AromaticContact CD2-CD2 3.45Å; W944-Y969 HydrophobicContact CD2-CD2 3.45Å; W944-Y969 VanDerWaalsContact CD2-CD2 3.45Å; W944-Y969 HydrophobicContact CD2-CE2 4.2Å; W944-Y969 HydrophobicContact CD2-CG 4.22Å; W944-Y969 AromaticContact CE2-CD2 3.82Å; W944-Y969 AromaticContact CE3-CD2 3.79Å; W944-Y969 HydrophobicContact CE3-CD2 3.79Å; W944-Y969 AromaticContact CG-CD2 3.62Å; W944-Y969 HydrophobicContact CG-CD2 3.62Å; W944-Y969 AromaticContact CG-CE2 3.88Å; W944-Y969 HydrophobicContact CG-CE2 3.88Å; W944-Y969 HydrophobicContact CZ2-CD2 4.39Å; W944-Y969 HydrophobicContact CZ2-CG 4.38Å; W944-Y969 HydrophobicContact CZ3-CD2 4.38Å; Y969-G971 VanDerWaalsContact OH-C 3.28Å; Y969-G971 VanDerWaalsContact OH-CA 3.29Å; Y969-G971 WeakPolarHBondContact OH-CA 3.44Å; Y969-R972 PolarHBondContact OH-N 3.37Å; Y969-R972 PolarHBondContact OH-O 3.33Å
970	A	97	Very high	94.4	Very high	3 Å²	3	58.7 Å²	58.7	3%	0.025	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	130.3	156.7	0	0	0	0	0	110.4	Q932 W933 V934 Q935 A997	Q932-A970 HydrophobicContact CG-CB 4.28Å; Q932-A970 VanDerWaalsContact NE2-CB 3.3Å; W933-A970 PolarHBondContact O-N 2.77Å; V934-A970 VanDerWaalsContact CA-O 3.32Å; V934-A970 WeakPolarHBondContact CA-O 3.27Å; V934-A970 HydrophobicContact CG2-CB 4.21Å; Q935-A970 PolarHBondContact N-O 3.23Å; A970-A997 HydrophobicContact CB-CB 4.13Å
971	G	96.9	Very high	94.7	Very high	4 Å²	4	58.4 Å²	58.4	4%	0.041	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	170.5	-168.1	-178.9	0	0	0	0	0	110.4	Q935 Y969	Q935-G971 VanDerWaalsContact O-CA 3.26Å; Q935-G971 WeakPolarHBondContact O-CA 3.32Å; Y969-G971 VanDerWaalsContact OH-C 3.28Å; Y969-G971 VanDerWaalsContact OH-CA 3.29Å; Y969-G971 WeakPolarHBondContact OH-CA 3.44Å
972	R	97.6	Very high	94.8	Very high	4 Å²	4	55 Å²	55	2%	0.015	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	145	178.4	-72.6	-178.3	169.9	81.8	9.3	111.5	E936 H938 K939 Y969 H986 E989 Y993	E936-R972 WeakPolarHBondContact O-CD 3.48Å; E936-R972 WeakPolarHBondContact O-CG 3.47Å; E936-R972 PolarHBondContact O-NH1 3.23Å; H938-R972 CarbonylContact C-O 3.57Å; H938-R972 HydrophobicContact CB-CB 4.39Å; H938-R972 WeakPolarHBondContact ND1-CB 3.49Å; K939-R972 PolarHBondContact N-O 2.79Å; Y969-R972 PolarHBondContact OH-N 3.37Å; Y969-R972 PolarHBondContact OH-O 3.33Å; R972-H986 PolarHBondContact NH2-CE1 3.43Å; R972-H986 VanDerWaalsContact NH2-CE1 3.33Å; R972-H986 PolarHBondContact NH2-ND1 3.43Å; R972-E989 WeakPolarHBondContact CD-OE2 2.98Å; R972-E989 HydrophobicContact CG-CB 4.06Å; R972-E989 HydrophobicContact CG-CG 4.35Å; R972-E989 IonicContact CZ-OE2 3.38Å; R972-E989 IonicContact NE-OE2 3.6Å; R972-E989 PolarHBondContact NE-OE2 3.37Å; R972-E989 IonicContact NH2-OE2 2.79Å; R972-Y993 HydrophobicContact CG-CD1 4.28Å
973	Q	96.3	Very high	94.9	Very high	120 Å²	120	61.1 Å²	61.1	56%	0.561	35%	0.351	S	S	*	.	P	Polyproline II helix	trans	-61.7	158.6	173.4	-68.2	-58.8	-34.4	0	0	111.2	H938 S975	H938-Q973 WeakPolarHBondContact CB-O 3.41Å; H938-Q973 PolarHBondContact ND1-O 3.15Å; Q973-S975 PolarHBondContact O-N 3.24Å
974	P	97.1	Very high	95.3	Very high	79 Å²	79	58.6 Å²	58.6	51%	0.513	35%	0.349	S	S	.	.	P	Polyproline II helix	trans	-53.1	141.7	177.2	-22.3	29.8	0	0	0	112.9	K939 N940	K939-P974 HydrophobicContact CB-CG 4.01Å; K939-P974 HydrophobicContact CD-CG 4.35Å; N940-P974 HydrophobicContact CB-CB 4.46Å; N940-P974 VanDerWaalsContact OD1-CA 3.27Å; N940-P974 WeakPolarHBondContact OD1-CA 3.44Å
975	S	96.5	Very high	95.6	Very high	36 Å²	36	59.7 Å²	59.7	25%	0.252	36%	0.355	S	S	.	.			trans	-142.9	152.1	178.5	176.5	0	0	0	0	111.6	H938 N940 M941 Q973 A977	H938-S975 WeakPolarHBondContact CE1-CB 3.5Å; H938-S975 VanDerWaalsContact CG-CB 3.44Å; H938-S975 WeakPolarHBondContact ND1-CB 3.38Å; N940-S975 PolarHBondContact ND2-O 3.39Å; N940-S975 PolarHBondContact OD1-N 3.19Å; N940-S975 PolarHBondContact OD1-O 2.8Å; M941-S975 VanDerWaalsContact CE-O 3.3Å; M941-S975 WeakPolarHBondContact CE-O 3.34Å; Q973-S975 PolarHBondContact O-N 3.24Å; S975-A977 VanDerWaalsContact CB-O 3.32Å; S975-A977 WeakPolarHBondContact CB-O 3.43Å; S975-A977 PolarHBondContact OG-N 3.46Å; S975-A977 VanDerWaalsContact OG-N 3.12Å; S975-A977 PolarHBondContact OG-O 3.18Å
976	A	95.9	Very high	95.9	Very high	106 Å²	106	56.1 Å²	56.1	88%	0.876	34%	0.335	S	S	*	.	S	Bend	trans	-80.4	-30	171.2	0	0	0	0	0	112.3
977	A	96.5	Very high	96.1	Very high	44 Å²	44	53.9 Å²	53.9	36%	0.364	33%	0.329	S	S	.	.	S	Bend	trans	-94.6	150	173.6	0	0	0	0	0	110.4	P767 M941 S975 A979	P767-A977 HydrophobicContact CB-CB 4.4Å; M941-A977 VanDerWaalsContact CE-O 3.28Å; M941-A977 WeakPolarHBondContact CE-O 3.45Å; S975-A977 VanDerWaalsContact CB-O 3.32Å; S975-A977 WeakPolarHBondContact CB-O 3.43Å; S975-A977 PolarHBondContact OG-N 3.46Å; S975-A977 VanDerWaalsContact OG-N 3.12Å; S975-A977 PolarHBondContact OG-O 3.18Å; A977-A979 VanDerWaalsContact C-N 3.34Å; A977-A979 PolarHBondContact O-N 3.09Å
978	T	96.7	Very high	96.1	Very high	4 Å²	4	59.3 Å²	59.3	3%	0.025	36%	0.356	C	S	.	.	S	Bend	trans	-65.3	-31.1	-179	38.8	0	0	0	0	113.6	Y762 P767 R773 H938 M941	Y762-T978 WeakPolarHBondContact CE1-O 3.47Å; Y762-T978 PolarHBondContact OH-O 2.57Å; P767-T978 WeakPolarHBondContact CA-OG1 3.42Å; P767-T978 VanDerWaalsContact CB-OG1 3.3Å; P767-T978 WeakPolarHBondContact CB-OG1 3.38Å; P767-T978 PolarHBondContact O-OG1 3.29Å; R773-T978 HydrophobicContact CG-CG2 4.44Å; H938-T978 PolarHBondContact CD2-O 3.38Å; H938-T978 VanDerWaalsContact CD2-O 3.29Å; M941-T978 HydrophobicContact SD-CG2 4.22Å
979	A	97.2	Very high	96.1	Very high	5 Å²	5	57 Å²	57	4%	0.041	34%	0.343	C	S	.	.	S	Bend	trans	-155.2	162.7	175.9	0	0	0	0	0	111.7	Y762 S770 A977 G981	Y762-A979 HydrophobicContact CD1-CB 4.08Å; Y762-A979 HydrophobicContact CE1-CB 4.1Å; S770-A979 WeakPolarHBondContact OG-CB 2.94Å; A977-A979 VanDerWaalsContact C-N 3.34Å; A977-A979 PolarHBondContact O-N 3.09Å; A979-G981 PolarHBondContact O-N 3.16Å
980	A	94.6	Very high	96	Very high	15 Å²	15	56.2 Å²	56.2	12%	0.124	34%	0.342	C	S	.	.			trans	-61.9	131.4	170.8	0	0	0	0	0	111.4	N982 M985 H986	A980-N982 VanDerWaalsContact C-N 3.3Å; A980-N982 PolarHBondContact O-N 2.9Å; A980-M985 HydrophobicContact CB-CB 3.98Å; A980-M985 HydrophobicContact CB-CG 3.88Å; A980-H986 HydrophobicContact CB-CB 4.34Å
981	G	94.5	Very high	96	Very high	70 Å²	70	59.9 Å²	59.9	72%	0.722	37%	0.367	S	S	*	.	S	Bend	trans	-78.2	-9.1	176.7	0	0	0	0	0	114.8	A979	A979-G981 PolarHBondContact O-N 3.16Å
982	N	92.8	Very high	95.9	Very high	90 Å²	90	64.2 Å²	64.2	48%	0.481	39%	0.386	S	S	.	.	S	Bend	trans	-120.4	144.1	176.8	80.6	57.5	0	0	0	111.5	A980 A984 M985 H986	A980-N982 VanDerWaalsContact C-N 3.3Å; A980-N982 PolarHBondContact O-N 2.9Å; N982-A984 PolarHBondContact O-N 2.71Å; N982-A984 PolarHBondContact OD1-N 2.76Å; N982-M985 WeakPolarHBondContact OD1-CB 3.33Å; N982-M985 PolarHBondContact OD1-N 2.76Å; N982-H986 PolarHBondContact O-N 3.45Å
983	K	93.5	Very high	95.8	Very high	151 Å²	151	64 Å²	64	66%	0.657	39%	0.385	S	S	*	.	H	α-helix	trans	-65.9	-34.5	-174.7	-172.6	172.2	-178.9	174.5	0	113.3	H986 L987	K983-H986 PolarHBondContact O-N 2.94Å; K983-L987 HydrophobicContact CG-CD1 4.1Å; K983-L987 HydrophobicContact CG-CG 4.34Å; K983-L987 VanDerWaalsContact O-CG 3.3Å; K983-L987 WeakPolarHBondContact O-CG 3.2Å; K983-L987 PolarHBondContact O-N 3.49Å
984	A	95.6	Very high	95.8	Very high	72 Å²	72	59 Å²	59	60%	0.595	36%	0.362	S	S	*	.	H	α-helix	trans	-66	-45.4	-177.8	0	0	0	0	0	112	N982 L987 M988	N982-A984 PolarHBondContact O-N 2.71Å; N982-A984 PolarHBondContact OD1-N 2.76Å; A984-L987 PolarHBondContact O-N 3.09Å; A984-M988 WeakPolarHBondContact O-CB 3.34Å; A984-M988 PolarHBondContact O-N 3.13Å
985	M	95.4	Very high	95.7	Very high	84 Å²	84	62.9 Å²	62.9	41%	0.414	37%	0.371	S	S	.	.	H	α-helix	trans	-63.2	-45.7	173.9	-173.5	73.4	94.6	0	0	110.6	A980 N982 L987 M988 E989	A980-M985 HydrophobicContact CB-CB 3.98Å; A980-M985 HydrophobicContact CB-CG 3.88Å; N982-M985 WeakPolarHBondContact OD1-CB 3.33Å; N982-M985 PolarHBondContact OD1-N 2.76Å; M985-L987 VanDerWaalsContact C-N 3.34Å; M985-L987 PolarHBondContact O-N 3.05Å; M985-M988 WeakPolarHBondContact O-CB 3.17Å; M985-M988 PolarHBondContact O-N 3.16Å; M985-M988 VanDerWaalsContact O-N 3.15Å; M985-M988 HydrophobicContact SD-CE 4.35Å; M985-M988 HydrophobicContact SD-SD 4.29Å; M985-E989 HydrophobicContact CG-CG 4.49Å; M985-E989 WeakPolarHBondContact O-CG 3.36Å; M985-E989 PolarHBondContact O-N 2.64Å
986	H	96.6	Very high	95.6	Very high	12 Å²	12	64.5 Å²	64.5	6%	0.056	38%	0.377	C	S	.	.	H	α-helix	trans	-55.3	-47.1	176.7	171.3	72.8	0	0	0	112.3	Y762 G764 R972 A980 N982 K983 E989 I990	Y762-H986 PolarHBondContact O-CE1 3.36Å; G764-H986 PolarHBondContact N-CE1 2.85Å; G764-H986 VanDerWaalsContact N-CE1 3.3Å; G764-H986 PolarHBondContact N-NE2 2.94Å; R972-H986 PolarHBondContact NH2-CE1 3.43Å; R972-H986 VanDerWaalsContact NH2-CE1 3.33Å; R972-H986 PolarHBondContact NH2-ND1 3.43Å; A980-H986 HydrophobicContact CB-CB 4.34Å; N982-H986 PolarHBondContact O-N 3.45Å; K983-H986 PolarHBondContact O-N 2.94Å; H986-E989 PolarHBondContact O-N 2.77Å; H986-I990 VanDerWaalsContact NE2-CD1 3.29Å; H986-I990 WeakPolarHBondContact NE2-CD1 3.47Å; H986-I990 WeakPolarHBondContact O-CG1 3.47Å; H986-I990 PolarHBondContact O-N 3.1Å; H986-I990 VanDerWaalsContact O-N 3.1Å
987	L	96.5	Very high	95.6	Very high	95 Å²	95	59.5 Å²	59.5	50%	0.497	34%	0.335	S	S	.	.	H	α-helix	trans	-67.6	-37.3	177.3	-68.5	174.3	0	0	0	112.7	K983 A984 M985 I990 S991	K983-L987 HydrophobicContact CG-CD1 4.1Å; K983-L987 HydrophobicContact CG-CG 4.34Å; K983-L987 VanDerWaalsContact O-CG 3.3Å; K983-L987 WeakPolarHBondContact O-CG 3.2Å; K983-L987 PolarHBondContact O-N 3.49Å; A984-L987 PolarHBondContact O-N 3.09Å; M985-L987 VanDerWaalsContact C-N 3.34Å; M985-L987 PolarHBondContact O-N 3.05Å; L987-I990 PolarHBondContact O-N 3.23Å; L987-S991 PolarHBondContact O-N 3.22Å
988	M	96.8	Very high	95.6	Very high	122 Å²	122	57.9 Å²	57.9	60%	0.601	32%	0.321	S	S	*	.	H	α-helix	trans	-61	-45.2	174.7	-174.9	-163.4	-52.9	0	0	111.1	A984 M985 S991 H992	A984-M988 WeakPolarHBondContact O-CB 3.34Å; A984-M988 PolarHBondContact O-N 3.13Å; M985-M988 WeakPolarHBondContact O-CB 3.17Å; M985-M988 PolarHBondContact O-N 3.16Å; M985-M988 VanDerWaalsContact O-N 3.15Å; M985-M988 HydrophobicContact SD-CE 4.35Å; M985-M988 HydrophobicContact SD-SD 4.29Å; M988-S991 PolarHBondContact O-N 3.19Å; M988-H992 WeakPolarHBondContact O-CB 3.39Å; M988-H992 PolarHBondContact O-N 2.96Å
989	E	96.6	Very high	95.4	Very high	37 Å²	37	59.9 Å²	59.9	17%	0.173	34%	0.335	C	S	.	.	H	α-helix	trans	-60.2	-46.1	176.2	-73.8	173.3	153	0	0	111.7	H938 R972 M985 H986 H992 Y993	H938-E989 IonicContact CE1-OE1 2.77Å; R972-E989 WeakPolarHBondContact CD-OE2 2.98Å; R972-E989 HydrophobicContact CG-CB 4.06Å; R972-E989 HydrophobicContact CG-CG 4.35Å; R972-E989 IonicContact CZ-OE2 3.38Å; R972-E989 IonicContact NE-OE2 3.6Å; R972-E989 PolarHBondContact NE-OE2 3.37Å; R972-E989 IonicContact NH2-OE2 2.79Å; M985-E989 HydrophobicContact CG-CG 4.49Å; M985-E989 WeakPolarHBondContact O-CG 3.36Å; M985-E989 PolarHBondContact O-N 2.64Å; H986-E989 PolarHBondContact O-N 2.77Å; E989-H992 PolarHBondContact O-N 3.15Å; E989-Y993 WeakPolarHBondContact O-CD1 3.28Å; E989-Y993 PolarHBondContact O-N 2.97Å
990	I	96.2	Very high	94.9	Very high	28 Å²	28	62.1 Å²	62.1	14%	0.144	35%	0.345	C	S	.	.	H	α-helix	trans	-55.3	-54	175.4	-66.6	176.4	0	0	0	110.9	H986 L987 H992 Y993 L994	H986-I990 VanDerWaalsContact NE2-CD1 3.29Å; H986-I990 WeakPolarHBondContact NE2-CD1 3.47Å; H986-I990 WeakPolarHBondContact O-CG1 3.47Å; H986-I990 PolarHBondContact O-N 3.1Å; H986-I990 VanDerWaalsContact O-N 3.1Å; L987-I990 PolarHBondContact O-N 3.23Å; I990-H992 VanDerWaalsContact C-N 3.27Å; I990-H992 PolarHBondContact O-N 3.01Å; I990-Y993 HydrophobicContact CB-CE1 4.18Å; I990-Y993 HydrophobicContact CG1-CE1 3.96Å; I990-Y993 WeakPolarHBondContact CG1-OH 3.37Å; I990-Y993 PolarHBondContact O-N 3.38Å; I990-L994 HydrophobicContact CG2-CD1 3.6Å; I990-L994 HydrophobicContact CG2-CG 4.18Å; I990-L994 WeakPolarHBondContact O-CB 3.36Å; I990-L994 WeakPolarHBondContact O-CG 3.37Å; I990-L994 PolarHBondContact O-N 3.43Å
991	S	95.7	Very high	93.6	Very high	79 Å²	79	68.8 Å²	68.8	55%	0.552	39%	0.392	S	S	*	.	H	α-helix	trans	-58.8	-40.6	-179.8	-177.5	0	0	0	0	112	L987 M988 K995	L987-S991 PolarHBondContact O-N 3.22Å; M988-S991 PolarHBondContact O-N 3.19Å; S991-K995 VanDerWaalsContact O-CB 3.28Å; S991-K995 WeakPolarHBondContact O-CB 3.36Å; S991-K995 PolarHBondContact O-N 2.99Å; S991-K995 VanDerWaalsContact O-N 3.12Å
992	H	95.7	Very high	93.6	Very high	96 Å²	96	68.8 Å²	68.8	44%	0.444	38%	0.375	S	S	.	.	H	α-helix	trans	-64.9	-51.3	-179.9	-175.7	76.1	0	0	0	112.3	M988 E989 I990 N996	M988-H992 WeakPolarHBondContact O-CB 3.39Å; M988-H992 PolarHBondContact O-N 2.96Å; E989-H992 PolarHBondContact O-N 3.15Å; I990-H992 VanDerWaalsContact C-N 3.27Å; I990-H992 PolarHBondContact O-N 3.01Å; H992-N996 PolarHBondContact CD2-ND2 3.07Å; H992-N996 PolarHBondContact NE2-ND2 3.26Å; H992-N996 PolarHBondContact O-N 2.91Å; H992-N996 VanDerWaalsContact O-N 3.1Å; H992-N996 PolarHBondContact O-ND2 3.34Å; H992-N996 PolarHBondContact O-OD1 3.04Å
993	Y	95.5	Very high	93.6	Very high	0 Å²	0	67.6 Å²	67.6	0%	0	37%	0.369	C	S	.	.	H	α-helix	trans	-72.2	-34.6	-177.4	72	-116.6	0	0	0	112.5	I886 E889 R972 E989 I990 N996 A997	I886-Y993 HydrophobicContact CD1-CE2 3.56Å; E889-Y993 PolarHBondContact OE2-OH 3.12Å; R972-Y993 HydrophobicContact CG-CD1 4.28Å; E989-Y993 WeakPolarHBondContact O-CD1 3.28Å; E989-Y993 PolarHBondContact O-N 2.97Å; I990-Y993 HydrophobicContact CB-CE1 4.18Å; I990-Y993 HydrophobicContact CG1-CE1 3.96Å; I990-Y993 WeakPolarHBondContact CG1-OH 3.37Å; I990-Y993 PolarHBondContact O-N 3.38Å; Y993-N996 PolarHBondContact O-N 2.99Å; Y993-A997 VanDerWaalsContact O-CB 3.26Å; Y993-A997 WeakPolarHBondContact O-CB 3.34Å; Y993-A997 PolarHBondContact O-N 2.91Å
994	L	96.5	Very high	93.6	Very high	15 Å²	15	63 Å²	63	8%	0.079	35%	0.353	C	S	.	.	H	α-helix	trans	-64.2	-43.6	176.9	-74	178.9	0	0	0	110.9	L890 E893 I990 N996 A997 L998	L890-L994 HydrophobicContact CD2-CD2 3.72Å; L890-L994 HydrophobicContact CG-CD2 4.3Å; E893-L994 HydrophobicContact CG-CD1 4.5Å; I990-L994 HydrophobicContact CG2-CD1 3.6Å; I990-L994 HydrophobicContact CG2-CG 4.18Å; I990-L994 WeakPolarHBondContact O-CB 3.36Å; I990-L994 WeakPolarHBondContact O-CG 3.37Å; I990-L994 PolarHBondContact O-N 3.43Å; L994-N996 PolarHBondContact O-N 3.31Å; L994-A997 PolarHBondContact O-N 2.85Å; L994-L998 PolarHBondContact O-N 2.98Å
995	K	95	Very high	93.5	Very high	159 Å²	159	62.5 Å²	62.5	69%	0.691	34%	0.339	S	S	*	.	H	α-helix	trans	-60.8	-43.9	175.2	-174.3	179	179.5	-179.1	0	111.7	S991 S999	S991-K995 VanDerWaalsContact O-CB 3.28Å; S991-K995 WeakPolarHBondContact O-CB 3.36Å; S991-K995 PolarHBondContact O-N 2.99Å; S991-K995 VanDerWaalsContact O-N 3.12Å; K995-S999 WeakPolarHBondContact O-CB 3.14Å; K995-S999 PolarHBondContact O-N 3.21Å; K995-S999 VanDerWaalsContact O-N 3.07Å
996	N	94.5	Very high	93.4	Very high	71 Å²	71	61.1 Å²	61.1	38%	0.38	34%	0.335	S	S	.	.	H	α-helix	trans	-66.8	-38.7	177.6	-67.1	-13.1	0	0	0	112.2	H992 Y993 L994	H992-N996 PolarHBondContact CD2-ND2 3.07Å; H992-N996 PolarHBondContact NE2-ND2 3.26Å; H992-N996 PolarHBondContact O-N 2.91Å; H992-N996 VanDerWaalsContact O-N 3.1Å; H992-N996 PolarHBondContact O-ND2 3.34Å; H992-N996 PolarHBondContact O-OD1 3.04Å; Y993-N996 PolarHBondContact O-N 2.99Å; L994-N996 PolarHBondContact O-N 3.31Å
997	A	96	Very high	93.2	Very high	0 Å²	0	64.4 Å²	64.4	0%	0	35%	0.353	C	S	.	.	H	α-helix	trans	-65.5	-41.7	178.7	0	0	0	0	0	111.9	K878 I880 L890 Q932 V934 A970 Y993 L994	K878-A997 VanDerWaalsContact CD-O 3.29Å; K878-A997 WeakPolarHBondContact CD-O 3.48Å; K878-A997 PolarHBondContact NZ-O 3.37Å; I880-A997 HydrophobicContact CD1-CB 4.46Å; L890-A997 HydrophobicContact CD2-CB 4.07Å; Q932-A997 PolarHBondContact OE1-O 3.48Å; V934-A997 HydrophobicContact CG1-CB 4.02Å; V934-A997 HydrophobicContact CG2-CB 3.71Å; A970-A997 HydrophobicContact CB-CB 4.13Å; Y993-A997 VanDerWaalsContact O-CB 3.26Å; Y993-A997 WeakPolarHBondContact O-CB 3.34Å; Y993-A997 PolarHBondContact O-N 2.91Å; L994-A997 PolarHBondContact O-N 2.85Å
998	L	95.6	Very high	92.9	Very high	11 Å²	11	62.2 Å²	62.2	6%	0.058	34%	0.343	C	S	.	.	H	α-helix	trans	-94.7	-5.2	-173.7	-63.6	173.8	0	0	0	114.7	I880 E893 R894 I897 I903 L994	I880-L998 HydrophobicContact CD1-CD2 3.88Å; E893-L998 HydrophobicContact CB-CD1 3.6Å; E893-L998 HydrophobicContact CG-CD1 3.31Å; R894-L998 HydrophobicContact CB-CD2 4.08Å; I897-L998 HydrophobicContact CD1-CB 3.79Å; I897-L998 HydrophobicContact CD1-CD1 4.09Å; I897-L998 HydrophobicContact CD1-CG 4.46Å; I903-L998 HydrophobicContact CD1-CB 4.39Å; I903-L998 HydrophobicContact CD1-CD2 3.83Å; I903-L998 HydrophobicContact CG2-CD2 4.46Å; L994-L998 PolarHBondContact O-N 2.98Å
999	S	92.3	Very high	92.6	Very high	46 Å²	46	57.6 Å²	57.6	32%	0.322	32%	0.323	S	S	.	.			trans	-69.2	132.4	172.7	-167.3	0	0	0	0	111.4	K878 K995 S1001	K878-S999 VanDerWaalsContact CE-O 3.25Å; K878-S999 WeakPolarHBondContact CE-O 3.48Å; K878-S999 PolarHBondContact NZ-O 3.4Å; K995-S999 WeakPolarHBondContact O-CB 3.14Å; K995-S999 PolarHBondContact O-N 3.21Å; K995-S999 VanDerWaalsContact O-N 3.07Å; S999-S1001 VanDerWaalsContact C-N 3.31Å; S999-S1001 PolarHBondContact OG-N 2.73Å; S999-S1001 PolarHBondContact OG-OG 3.33Å
1000	L	87.7	Confident	92.3	Very high	51 Å²	51	59.3 Å²	59.3	27%	0.267	34%	0.336	S	S	.	.			trans	-88.8	0.8	174.6	-64.3	176	0	0	0	113.3	K877 K878 D902 I903	K877-L1000 HydrophobicContact CB-CD2 3.87Å; K877-L1000 HydrophobicContact CD-CD1 3.8Å; K877-L1000 HydrophobicContact CD-CD2 4.39Å; K878-L1000 HydrophobicContact CB-CD2 4.22Å; D902-L1000 HydrophobicContact CB-CD1 4.14Å; I903-L1000 HydrophobicContact CD1-CD2 4.2Å; I903-L1000 HydrophobicContact CG1-CD2 3.97Å
1001	S	66.9	Low	92	Very high	156 Å²	156	62.2 Å²	62.2	100%	1.091	35%	0.353	S	S	*	.			trans	-77.2	0	-179.4	64.6	0	0	0	0	113.4	S999	S999-S1001 VanDerWaalsContact C-N 3.31Å; S999-S1001 PolarHBondContact OG-N 2.73Å; S999-S1001 PolarHBondContact OG-OG 3.33Å

Retrieved 1,001 of 1,001 residues in 884.5 ms (Link to these results)

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