A0A087YLR8_POEFO Loading...

protein kinase C

AlphaFold DB , UniProt , Accession A0A087YLR8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 931 aa.

						>A0A087YLR8_POEFO|A0A087YLR8
MSAPTPQDGKQQQQQRRRLDILDPQVQQRLENARAQVRQEIQLELKIKEAAERMRRAYPSRRGGAVDGEVKASSRKLEQLHLQLQELNAISMATEKDNHAATVPEEEENQSSEPSQWEEVTSPLASRIRTLKKQLTMETKVKQGAENMIQTYSSRSFKDRKMLATAQQMLQDSRTKIELLRMQIVKVGQAREEGASLGPDEEIISPVELRVAELLHRMKIESAVAEGAKNVAKLVDRKERRVLTEAQARVQESSQKVDLLRLSLERRLAELPEDHPMRAAIMESLELGVAPSYGTLKKQSAAPSSSSSSSSSSFFRPASLTGRLEVCLMGVQDLLEDVPGRSAAQFSGNYAGGKSMKVKGSGRSANGKTGKSDELSSEVSAVLKVDNRVMGRTHWRPQGKEAWGQNFSTELERSRELEVAVYWRDWRALSAVKFLRLEDFLDNRRHGMCLELEPQGIVFIEVTFNNPVIERPSKLQRQMRIFPKEKGRNFLRASQMNLNFATWGRLMMSFLPPCNSLEAMSPPLPAPGAAASSGSPPRERPPSRLAVSEESIRRSPRPSRKETKDASASQSPDWKSSLKPRRSASARPASARPAPQSEALKMEDFQCVSVLGRGHFGKVLLAEYKKSGKMFAIKALKKSEVITRDEVDSLVCEKRIFEVINSARHPFLVNLHGCFQTAEHVCFVMAYSPGGDLMKHIHTAIFSEKQSLFYSSCVLLGLEFLHQNQIVYRDLKLDNLLMDADGYVRIADFGLCKEGMGHGDRTSTFCGTPEFLAPEVLTENSYTRSVDWWELGVLVFEMLVGESPFPGDDEEEVFDSIVNEEVRYPHFLSPQSKSLMQQLLQKNPDRRLGSGKDDAAEIKRHKFFQEMDWDALLAKQLKPPFLPTIAAPLDVSNFDEEFTRLKPVLTLPRTPTAVSAEEQQVFNDFDFSLIS
					

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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	46.2	Very low	40.7	Very low	244 Å²	244	130 Å²	130	100%	1.202	75%	0.747	S	S	*	*				0	133.3	0	-81	175.3	152.4	0	0	108.7
2	S	28.9	Very low	40.5	Very low	134 Å²	134	128.9 Å²	128.9	94%	0.937	73%	0.731	S	S	*	*			trans	-176.4	151.2	148	-96.3	0	0	0	0	108
3	A	41.4	Very low	40.2	Very low	88 Å²	88	128.8 Å²	128.8	73%	0.727	72%	0.72	S	S	*	*			trans	-94.1	155.3	-165.7	0	0	0	0	0	113.8
4	P	44.4	Very low	40	Very low	117 Å²	117	130.5 Å²	130.5	76%	0.76	72%	0.72	S	S	*	*			trans	-72	156.7	177.6	30.6	-36.1	0	0	0	113.1
5	T	44.2	Very low	39.7	Very low	105 Å²	105	130.4 Å²	130.4	64%	0.644	71%	0.712	S	S	*	*			trans	-108.3	164.8	-174.9	44.7	0	0	0	0	113	Q7	T5-Q7 VanDerWaalsContact C-N 3.29Å; T5-Q7 PolarHBondContact O-N 3.11Å
6	P	45.1	Very low	39.6	Very low	120 Å²	120	132.5 Å²	132.5	78%	0.779	71%	0.706	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.3	8.7	-157.3	-22.6	35.7	0	0	0	119.1
7	Q	41	Very low	39.5	Very low	167 Å²	167	135.6 Å²	135.6	78%	0.78	71%	0.706	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.2	-37.5	-174.1	-77.7	-177.5	-82.6	0	0	114.2	T5 G9 K10	T5-Q7 VanDerWaalsContact C-N 3.29Å; T5-Q7 PolarHBondContact O-N 3.11Å; Q7-G9 PolarHBondContact O-N 3.16Å; Q7-G9 VanDerWaalsContact O-N 3.14Å; Q7-K10 PolarHBondContact O-N 2.93Å; Q7-K10 VanDerWaalsContact O-N 3.14Å
8	D	39.9	Very low	39.6	Very low	97 Å²	97	139.9 Å²	139.9	52%	0.519	71%	0.711	S	S	.	*	H	α-helix	trans	-58.2	-31.7	179.8	-66.4	-41.7	0	0	0	112.8	K10 Q11 Q12	D8-K10 PolarHBondContact O-N 2.87Å; D8-K10 VanDerWaalsContact O-N 3.16Å; D8-Q11 PolarHBondContact O-N 3.24Å; D8-Q12 PolarHBondContact O-N 3.14Å
9	G	37.8	Very low	39.7	Very low	45 Å²	45	138.5 Å²	138.5	46%	0.464	71%	0.705	S	S	.	*	H	α-helix	trans	-58.6	-27.7	179.7	0	0	0	0	0	114.1	Q7 Q13	Q7-G9 PolarHBondContact O-N 3.16Å; Q7-G9 VanDerWaalsContact O-N 3.14Å; G9-Q13 WeakPolarHBondContact O-CB 3.35Å; G9-Q13 PolarHBondContact O-N 3.32Å
10	K	40	Very low	40.2	Very low	165 Å²	165	135.7 Å²	135.7	72%	0.717	69%	0.692	S	S	*	*	H	α-helix	trans	-85.4	-42.2	-179.5	-73.1	-172.6	177.3	-179.6	0	113.1	Q7 D8 Q13 Q14	Q7-K10 PolarHBondContact O-N 2.93Å; Q7-K10 VanDerWaalsContact O-N 3.14Å; D8-K10 PolarHBondContact O-N 2.87Å; D8-K10 VanDerWaalsContact O-N 3.16Å; K10-Q13 PolarHBondContact O-N 3.39Å; K10-Q14 PolarHBondContact O-N 2.94Å
11	Q	38.6	Very low	40.7	Very low	148 Å²	148	132.9 Å²	132.9	69%	0.692	68%	0.678	S	S	*	*	H	α-helix	trans	-67.5	-44.3	176.1	-78.6	-176.2	-22.4	0	0	111.1	D8 Q13 Q14 Q15	D8-Q11 PolarHBondContact O-N 3.24Å; Q11-Q13 VanDerWaalsContact C-N 3.29Å; Q11-Q13 PolarHBondContact O-N 3.32Å; Q11-Q14 PolarHBondContact O-N 3.08Å; Q11-Q15 WeakPolarHBondContact O-CB 3.41Å; Q11-Q15 PolarHBondContact O-N 3.18Å
12	Q	38.6	Very low	40.8	Very low	117 Å²	117	126 Å²	126	55%	0.547	65%	0.645	S	S	.	*	H	α-helix	trans	-61.4	-35.3	173.7	-70.5	-167.4	3.8	0	0	112.8	D8 R16	D8-Q12 PolarHBondContact O-N 3.14Å; Q12-R16 VanDerWaalsContact O-CB 3.28Å; Q12-R16 WeakPolarHBondContact O-CB 3.49Å; Q12-R16 VanDerWaalsContact O-CG 3.27Å; Q12-R16 WeakPolarHBondContact O-CG 3.4Å; Q12-R16 PolarHBondContact O-N 3.26Å
13	Q	36.9	Very low	42.5	Very low	127 Å²	127	122.5 Å²	122.5	59%	0.593	62%	0.616	S	S	*	*	H	α-helix	trans	-73.6	-27.9	178.1	-171.6	166.3	57.1	0	0	113.3	G9 K10 Q11 R17	G9-Q13 WeakPolarHBondContact O-CB 3.35Å; G9-Q13 PolarHBondContact O-N 3.32Å; K10-Q13 PolarHBondContact O-N 3.39Å; Q11-Q13 VanDerWaalsContact C-N 3.29Å; Q11-Q13 PolarHBondContact O-N 3.32Å; Q13-R17 WeakPolarHBondContact O-CG 3.31Å; Q13-R17 PolarHBondContact O-N 2.89Å
14	Q	36.6	Very low	43.4	Very low	153 Å²	153	123.3 Å²	123.3	72%	0.715	61%	0.614	S	S	*	*	H	α-helix	trans	-82.1	-30.1	173.6	-167	161.5	-6.9	0	0	112.5	K10 Q11	K10-Q14 PolarHBondContact O-N 2.94Å; Q11-Q14 PolarHBondContact O-N 3.08Å
15	Q	35.8	Very low	44.2	Very low	129 Å²	129	123.4 Å²	123.4	60%	0.603	60%	0.604	S	S	*	*	H	α-helix	trans	-79.4	-36.5	176	-159.1	161.5	2.2	0	0	112.2	Q11 R17 R18 L19	Q11-Q15 WeakPolarHBondContact O-CB 3.41Å; Q11-Q15 PolarHBondContact O-N 3.18Å; Q15-R17 PolarHBondContact O-N 3.26Å; Q15-R18 PolarHBondContact O-N 3.21Å; Q15-L19 HydrophobicContact CG-CD1 4.45Å; Q15-L19 PolarHBondContact O-N 3.09Å
16	R	37.9	Very low	45.3	Very low	164 Å²	164	120.5 Å²	120.5	62%	0.619	59%	0.586	S	S	*	*	H	α-helix	trans	-55.5	-49.5	167.4	-80.8	178.9	178	-168.8	-0.6	111.5	Q12 R18 L19 D20	Q12-R16 VanDerWaalsContact O-CB 3.28Å; Q12-R16 WeakPolarHBondContact O-CB 3.49Å; Q12-R16 VanDerWaalsContact O-CG 3.27Å; Q12-R16 WeakPolarHBondContact O-CG 3.4Å; Q12-R16 PolarHBondContact O-N 3.26Å; R16-R18 PolarHBondContact O-N 3.13Å; R16-L19 PolarHBondContact O-N 2.61Å; R16-D20 WeakPolarHBondContact O-CB 3.45Å; R16-D20 PolarHBondContact O-N 2.97Å; R16-D20 VanDerWaalsContact O-OD2 3.14Å
17	R	38.9	Very low	46.2	Very low	186 Å²	186	117 Å²	117	70%	0.702	56%	0.559	S	S	*	*	H	α-helix	trans	-56.3	-15.2	174.7	-79.7	-180	174.1	-164.2	-0.9	115.4	Q13 Q15	Q13-R17 WeakPolarHBondContact O-CG 3.31Å; Q13-R17 PolarHBondContact O-N 2.89Å; Q15-R17 PolarHBondContact O-N 3.26Å
18	R	40.9	Very low	47.6	Very low	212 Å²	212	113.9 Å²	113.9	80%	0.8	55%	0.545	S	S	*	.	H	α-helix	trans	-98.1	-31.8	174.6	-131.8	177.8	-175	-178.6	-0.3	112.5	Q15 R16	Q15-R18 PolarHBondContact O-N 3.21Å; R16-R18 PolarHBondContact O-N 3.13Å
19	L	41.6	Very low	49.3	Very low	114 Å²	114	116.5 Å²	116.5	60%	0.597	55%	0.547	S	S	*	.	H	α-helix	trans	-77.8	-33.2	175.1	-77.1	158.8	0	0	0	113	Q15 R16 I21 L22	Q15-L19 HydrophobicContact CG-CD1 4.45Å; Q15-L19 PolarHBondContact O-N 3.09Å; R16-L19 PolarHBondContact O-N 2.61Å; L19-I21 PolarHBondContact O-N 2.8Å; L19-L22 PolarHBondContact O-N 3.29Å; L19-L22 VanDerWaalsContact O-N 3.13Å
20	D	49.8	Very low	50.9	Low	82 Å²	82	115.6 Å²	115.6	44%	0.439	53%	0.532	S	S	.	.	G	3₁₀ helix	trans	-57.5	-23.5	-178	-67.3	-30.7	0	0	0	112.9	R16 V26	R16-D20 WeakPolarHBondContact O-CB 3.45Å; R16-D20 PolarHBondContact O-N 2.97Å; R16-D20 VanDerWaalsContact O-OD2 3.14Å; D20-V26 WeakPolarHBondContact O-CB 3.46Å; D20-V26 WeakPolarHBondContact O-CG1 3.29Å; D20-V26 VanDerWaalsContact O-CG2 3.23Å; D20-V26 WeakPolarHBondContact O-CG2 3.27Å
21	I	50	Low	52.4	Low	77 Å²	77	112.3 Å²	112.3	40%	0.395	52%	0.519	S	S	.	.	G	3₁₀ helix	trans	-77.7	-21.2	-176.5	-56.4	178.4	0	0	0	112.2	L19 T94	L19-I21 PolarHBondContact O-N 2.8Å; I21-T94 HydrophobicContact CG2-CG2 3.63Å
22	L	49.4	Very low	54.4	Low	99 Å²	99	109.6 Å²	109.6	52%	0.518	51%	0.509	S	S	.	.	G	3₁₀ helix	trans	-95.8	-2.1	177.8	-66	172.4	0	0	0	113.4	L19 P24 T94	L19-L22 PolarHBondContact O-N 3.29Å; L19-L22 VanDerWaalsContact O-N 3.13Å; L22-P24 WeakPolarHBondContact O-CD 3.17Å; L22-T94 HydrophobicContact CD2-CG2 4.2Å
23	D	64.2	Low	56.2	Low	60 Å²	60	105.6 Å²	105.6	32%	0.321	50%	0.496	S	S	.	.			trans	-64.2	124.6	173.3	174.8	4.9	0	0	0	110.1	Q25 V26 Q27	D23-Q25 PolarHBondContact O-N 2.81Å; D23-Q25 VanDerWaalsContact O-N 3.11Å; D23-Q25 WeakPolarHBondContact OD1-CB 3.41Å; D23-Q25 PolarHBondContact OD1-N 2.73Å; D23-V26 HydrophobicContact CB-CB 4.15Å; D23-V26 HydrophobicContact CB-CG2 4.01Å; D23-V26 WeakPolarHBondContact O-CA 3.45Å; D23-V26 PolarHBondContact O-N 2.96Å; D23-Q27 PolarHBondContact O-N 3.11Å
24	P	59	Low	58.2	Low	106 Å²	106	100.7 Å²	100.7	69%	0.688	47%	0.472	S	S	*	.	H	α-helix	trans	-51.8	-31.7	173.1	-28.5	36.3	0	0	0	113.8	L22 Q28	L22-P24 WeakPolarHBondContact O-CD 3.17Å; P24-Q28 WeakPolarHBondContact O-CB 3.47Å; P24-Q28 PolarHBondContact O-N 3.05Å
25	Q	61.2	Low	60.3	Low	119 Å²	119	95.7 Å²	95.7	56%	0.556	46%	0.457	S	S	*	.	H	α-helix	trans	-69	-33.4	173.8	-58.2	-164.2	18.9	0	0	112.8	D23 R29	D23-Q25 PolarHBondContact O-N 2.81Å; D23-Q25 VanDerWaalsContact O-N 3.11Å; D23-Q25 WeakPolarHBondContact OD1-CB 3.41Å; D23-Q25 PolarHBondContact OD1-N 2.73Å; Q25-R29 WeakPolarHBondContact O-CB 3.33Å; Q25-R29 WeakPolarHBondContact O-CD 3.33Å; Q25-R29 WeakPolarHBondContact O-CG 3.15Å; Q25-R29 PolarHBondContact O-N 2.78Å
26	V	67.6	Low	62.6	Low	43 Å²	43	94.9 Å²	94.9	26%	0.261	45%	0.453	S	S	.	.	H	α-helix	trans	-77.8	-39.7	178	174.6	0	0	0	0	110.6	D20 D23 Q28 R29 L30	D20-V26 WeakPolarHBondContact O-CB 3.46Å; D20-V26 WeakPolarHBondContact O-CG1 3.29Å; D20-V26 VanDerWaalsContact O-CG2 3.23Å; D20-V26 WeakPolarHBondContact O-CG2 3.27Å; D23-V26 HydrophobicContact CB-CB 4.15Å; D23-V26 HydrophobicContact CB-CG2 4.01Å; D23-V26 WeakPolarHBondContact O-CA 3.45Å; D23-V26 PolarHBondContact O-N 2.96Å; V26-Q28 VanDerWaalsContact C-N 3.35Å; V26-Q28 PolarHBondContact O-N 3.03Å; V26-R29 CarbonylContact O-C 3.56Å; V26-R29 WeakPolarHBondContact O-CB 3.4Å; V26-R29 PolarHBondContact O-N 3Å; V26-L30 WeakPolarHBondContact O-CB 3.26Å; V26-L30 PolarHBondContact O-N 3.14Å
27	Q	64	Low	64.7	Low	48 Å²	48	88 Å²	88	22%	0.224	43%	0.429	C	S	.	.	H	α-helix	trans	-62.7	-41.6	171.4	-172.5	68.1	-10.6	0	0	111.3	D23 R29 L30 E31	D23-Q27 PolarHBondContact O-N 3.11Å; Q27-R29 PolarHBondContact O-N 3.31Å; Q27-L30 WeakPolarHBondContact O-CB 3.43Å; Q27-L30 PolarHBondContact O-N 2.8Å; Q27-L30 VanDerWaalsContact O-N 3.17Å; Q27-E31 PolarHBondContact O-N 3.02Å
28	Q	71.8	Confident	66.5	Low	100 Å²	100	85.1 Å²	85.1	47%	0.467	42%	0.418	S	S	.	.	H	α-helix	trans	-63.2	-38.6	172.6	-172.1	67.1	72.4	0	0	112.2	P24 V26 L30 E31 N32	P24-Q28 WeakPolarHBondContact O-CB 3.47Å; P24-Q28 PolarHBondContact O-N 3.05Å; V26-Q28 VanDerWaalsContact C-N 3.35Å; V26-Q28 PolarHBondContact O-N 3.03Å; Q28-L30 VanDerWaalsContact C-N 3.35Å; Q28-E31 PolarHBondContact O-N 3.46Å; Q28-N32 PolarHBondContact NE2-OD1 3Å; Q28-N32 WeakPolarHBondContact O-CB 3.13Å; Q28-N32 PolarHBondContact O-N 2.89Å; Q28-N32 PolarHBondContact O-ND2 3.13Å; Q28-N32 PolarHBondContact O-OD1 3.12Å
29	R	73.9	Confident	68.5	Low	152 Å²	152	81.3 Å²	81.3	57%	0.574	41%	0.409	S	S	*	.	H	α-helix	trans	-64.9	-37.7	172.5	-73.4	164.1	-158.7	-178.9	10.8	111.6	Q25 V26 Q27 N32 A33	Q25-R29 WeakPolarHBondContact O-CB 3.33Å; Q25-R29 WeakPolarHBondContact O-CD 3.33Å; Q25-R29 WeakPolarHBondContact O-CG 3.15Å; Q25-R29 PolarHBondContact O-N 2.78Å; V26-R29 CarbonylContact O-C 3.56Å; V26-R29 WeakPolarHBondContact O-CB 3.4Å; V26-R29 PolarHBondContact O-N 3Å; Q27-R29 PolarHBondContact O-N 3.31Å; R29-N32 PolarHBondContact O-N 3.24Å; R29-A33 VanDerWaalsContact O-CB 3.28Å; R29-A33 WeakPolarHBondContact O-CB 3.13Å; R29-A33 PolarHBondContact O-N 3.49Å
30	L	72.2	Confident	70.6	Confident	26 Å²	26	79.1 Å²	79.1	14%	0.136	40%	0.396	C	S	.	.	H	α-helix	trans	-67.5	-37.1	176.1	-158.9	80.9	0	0	0	111.6	V26 Q27 Q28 R34 L87 I90	V26-L30 WeakPolarHBondContact O-CB 3.26Å; V26-L30 PolarHBondContact O-N 3.14Å; Q27-L30 WeakPolarHBondContact O-CB 3.43Å; Q27-L30 PolarHBondContact O-N 2.8Å; Q27-L30 VanDerWaalsContact O-N 3.17Å; Q28-L30 VanDerWaalsContact C-N 3.35Å; L30-R34 WeakPolarHBondContact O-CB 3.31Å; L30-R34 VanDerWaalsContact O-CG 3.25Å; L30-R34 WeakPolarHBondContact O-CG 3.43Å; L30-R34 PolarHBondContact O-N 2.86Å; L30-R34 PolarHBondContact O-NE 3.41Å; L30-L87 HydrophobicContact CD1-CD2 3.66Å; L30-L87 HydrophobicContact CG-CD2 4.42Å; L30-I90 HydrophobicContact CD1-CG2 4.14Å; L30-I90 HydrophobicContact CD2-CB 4.42Å; L30-I90 HydrophobicContact CD2-CG2 3.94Å
31	E	72.5	Confident	72.1	Confident	96 Å²	96	75.7 Å²	75.7	45%	0.449	38%	0.378	S	S	.	.	H	α-helix	trans	-69.6	-43.7	171.9	-74.8	-172.6	-177.8	0	0	112.7	Q27 Q28 A33 R34 A35	Q27-E31 PolarHBondContact O-N 3.02Å; Q28-E31 PolarHBondContact O-N 3.46Å; E31-A33 VanDerWaalsContact C-N 3.32Å; E31-A33 PolarHBondContact O-N 2.95Å; E31-R34 PolarHBondContact O-N 2.86Å; E31-R34 IonicContact OE1-NH2 2.86Å; E31-A35 WeakPolarHBondContact O-CB 3.45Å; E31-A35 PolarHBondContact O-N 2.88Å
32	N	80.1	Confident	73.6	Confident	91 Å²	91	77.6 Å²	77.6	49%	0.487	39%	0.385	S	S	.	.	H	α-helix	trans	-61.6	-41.1	175.4	-67.3	-3.3	0	0	0	110.9	Q28 R29 A35 Q36	Q28-N32 PolarHBondContact NE2-OD1 3Å; Q28-N32 WeakPolarHBondContact O-CB 3.13Å; Q28-N32 PolarHBondContact O-N 2.89Å; Q28-N32 PolarHBondContact O-ND2 3.13Å; Q28-N32 PolarHBondContact O-OD1 3.12Å; R29-N32 PolarHBondContact O-N 3.24Å; N32-A35 PolarHBondContact O-N 2.68Å; N32-Q36 WeakPolarHBondContact O-CB 3.31Å; N32-Q36 PolarHBondContact O-N 3.12Å
33	A	76.9	Confident	75.3	Confident	34 Å²	34	77.7 Å²	77.7	28%	0.281	39%	0.386	S	S	.	.	H	α-helix	trans	-63.7	-44.9	173.3	0	0	0	0	0	112.1	R29 E31 A35 Q36 V37 L87	R29-A33 VanDerWaalsContact O-CB 3.28Å; R29-A33 WeakPolarHBondContact O-CB 3.13Å; R29-A33 PolarHBondContact O-N 3.49Å; E31-A33 VanDerWaalsContact C-N 3.32Å; E31-A33 PolarHBondContact O-N 2.95Å; A33-A35 VanDerWaalsContact C-N 3.31Å; A33-A35 PolarHBondContact O-N 3.25Å; A33-Q36 PolarHBondContact O-N 2.83Å; A33-V37 WeakPolarHBondContact O-CG2 3.49Å; A33-V37 PolarHBondContact O-N 2.99Å; A33-L87 HydrophobicContact CB-CD1 4.22Å
34	R	78.8	Confident	76.4	Confident	24 Å²	24	75.5 Å²	75.5	9%	0.091	37%	0.374	C	S	.	.	H	α-helix	trans	-60.9	-38.9	173.8	-76.3	-179.4	-72.6	180	-6.4	112	L30 E31 R38 L84 L87 N88 S91	L30-R34 WeakPolarHBondContact O-CB 3.31Å; L30-R34 VanDerWaalsContact O-CG 3.25Å; L30-R34 WeakPolarHBondContact O-CG 3.43Å; L30-R34 PolarHBondContact O-N 2.86Å; L30-R34 PolarHBondContact O-NE 3.41Å; E31-R34 PolarHBondContact O-N 2.86Å; E31-R34 IonicContact OE1-NH2 2.86Å; R34-R38 WeakPolarHBondContact O-CB 2.88Å; R34-R38 WeakPolarHBondContact O-CD 3.47Å; R34-R38 WeakPolarHBondContact O-CG 3.46Å; R34-R38 PolarHBondContact O-N 2.66Å; R34-L84 HydrophobicContact CB-CD1 4.22Å; R34-L84 HydrophobicContact CG-CD1 4.16Å; R34-L87 HydrophobicContact CG-CB 3.6Å; R34-L87 HydrophobicContact CG-CD1 4.07Å; R34-L87 HydrophobicContact CG-CG 4.43Å; R34-N88 VanDerWaalsContact CD-OD1 3.25Å; R34-N88 WeakPolarHBondContact CD-OD1 3.41Å; R34-S91 PolarHBondContact NH1-OG 2.99Å; R34-S91 PolarHBondContact NH2-OG 3.16Å
35	A	79.1	Confident	77.4	Confident	47 Å²	47	74.7 Å²	74.7	39%	0.388	36%	0.363	S	S	.	.	H	α-helix	trans	-67.1	-42.9	175.9	0	0	0	0	0	111.9	E31 N32 A33 R38 Q39	E31-A35 WeakPolarHBondContact O-CB 3.45Å; E31-A35 PolarHBondContact O-N 2.88Å; N32-A35 PolarHBondContact O-N 2.68Å; A33-A35 VanDerWaalsContact C-N 3.31Å; A33-A35 PolarHBondContact O-N 3.25Å; A35-R38 PolarHBondContact O-N 3.33Å; A35-Q39 WeakPolarHBondContact O-CG 3.49Å; A35-Q39 PolarHBondContact O-N 3.07Å
36	Q	84.2	Confident	78.4	Confident	113 Å²	113	75.3 Å²	75.3	53%	0.528	36%	0.364	S	S	.	.	H	α-helix	trans	-63.4	-49	176.5	-175.5	177.6	-20.8	0	0	111.7	N32 A33 R38 Q39 E40	N32-Q36 WeakPolarHBondContact O-CB 3.31Å; N32-Q36 PolarHBondContact O-N 3.12Å; A33-Q36 PolarHBondContact O-N 2.83Å; Q36-R38 VanDerWaalsContact C-N 3.29Å; Q36-R38 PolarHBondContact O-N 3.01Å; Q36-Q39 WeakPolarHBondContact O-CA 3.5Å; Q36-Q39 WeakPolarHBondContact O-CB 3.2Å; Q36-Q39 PolarHBondContact O-N 3.42Å; Q36-E40 PolarHBondContact NE2-OE1 3.41Å; Q36-E40 PolarHBondContact O-N 3.06Å
37	V	82.4	Confident	79.2	Confident	18 Å²	18	77.8 Å²	77.8	11%	0.109	37%	0.374	C	S	.	.	H	α-helix	trans	-60.5	-38.5	176.2	174.6	0	0	0	0	111.1	A33 E40 I41 L80 L84 L87	A33-V37 WeakPolarHBondContact O-CG2 3.49Å; A33-V37 PolarHBondContact O-N 2.99Å; V37-E40 PolarHBondContact O-N 3.46Å; V37-I41 HydrophobicContact CG1-CD1 4.08Å; V37-I41 VanDerWaalsContact O-CG1 3.29Å; V37-I41 WeakPolarHBondContact O-CG1 3.48Å; V37-I41 PolarHBondContact O-N 2.99Å; V37-L80 HydrophobicContact CG1-CB 4.44Å; V37-L80 HydrophobicContact CG1-CD2 4.22Å; V37-L80 WeakPolarHBondContact CG1-O 3.25Å; V37-L84 HydrophobicContact CG1-CB 3.9Å; V37-L87 HydrophobicContact CG2-CD1 4.16Å
38	R	76.4	Confident	80.2	Confident	127 Å²	127	77.9 Å²	77.9	48%	0.479	37%	0.374	S	S	.	.	H	α-helix	trans	-63.6	-37.8	172.8	-74.3	167.7	-176.4	175.7	3.6	112.7	R34 A35 Q36 Q42 L84	R34-R38 WeakPolarHBondContact O-CB 2.88Å; R34-R38 WeakPolarHBondContact O-CD 3.47Å; R34-R38 WeakPolarHBondContact O-CG 3.46Å; R34-R38 PolarHBondContact O-N 2.66Å; A35-R38 PolarHBondContact O-N 3.33Å; Q36-R38 VanDerWaalsContact C-N 3.29Å; Q36-R38 PolarHBondContact O-N 3.01Å; R38-Q42 WeakPolarHBondContact O-CG 3.37Å; R38-Q42 PolarHBondContact O-N 3.29Å; R38-Q42 VanDerWaalsContact O-N 3.13Å; R38-L84 HydrophobicContact CG-CD1 4Å; R38-L84 HydrophobicContact CG-CD2 3.75Å
39	Q	83.9	Confident	80.7	Confident	131 Å²	131	77.7 Å²	77.7	61%	0.612	37%	0.373	S	S	*	.	H	α-helix	trans	-67.7	-42.6	173.3	-75.1	-174.9	-4.5	0	0	111.8	A35 Q36 I41 Q42 L43	A35-Q39 WeakPolarHBondContact O-CG 3.49Å; A35-Q39 PolarHBondContact O-N 3.07Å; Q36-Q39 WeakPolarHBondContact O-CA 3.5Å; Q36-Q39 WeakPolarHBondContact O-CB 3.2Å; Q36-Q39 PolarHBondContact O-N 3.42Å; Q39-I41 PolarHBondContact O-N 3.45Å; Q39-Q42 PolarHBondContact O-N 3.38Å; Q39-Q42 VanDerWaalsContact O-N 3.13Å; Q39-L43 WeakPolarHBondContact O-CG 3.46Å; Q39-L43 PolarHBondContact O-N 3.28Å
40	E	84.8	Confident	80.9	Confident	68 Å²	68	72.6 Å²	72.6	32%	0.318	36%	0.364	S	S	.	.	H	α-helix	trans	-62.7	-40.1	176.1	-71.9	-172.4	-140.2	0	0	111.9	Q36 V37 Q42 L43 E44 L80	Q36-E40 PolarHBondContact NE2-OE1 3.41Å; Q36-E40 PolarHBondContact O-N 3.06Å; V37-E40 PolarHBondContact O-N 3.46Å; E40-Q42 VanDerWaalsContact C-N 3.35Å; E40-Q42 PolarHBondContact O-N 2.88Å; E40-L43 PolarHBondContact O-N 3.41Å; E40-E44 VanDerWaalsContact O-CB 3.27Å; E40-E44 WeakPolarHBondContact O-CB 3.26Å; E40-E44 PolarHBondContact O-N 3.43Å; E40-L80 HydrophobicContact CB-CD1 4.17Å; E40-L80 HydrophobicContact CB-CD2 4.17Å
41	I	82.3	Confident	81.2	Confident	11 Å²	11	71.5 Å²	71.5	6%	0.056	36%	0.359	C	S	.	.	H	α-helix	trans	-59.1	-44.1	171.1	-70	166.2	0	0	0	111.1	V37 Q39 E44 L45 L77 L80 L84	V37-I41 HydrophobicContact CG1-CD1 4.08Å; V37-I41 VanDerWaalsContact O-CG1 3.29Å; V37-I41 WeakPolarHBondContact O-CG1 3.48Å; V37-I41 PolarHBondContact O-N 2.99Å; Q39-I41 PolarHBondContact O-N 3.45Å; I41-E44 PolarHBondContact O-N 2.88Å; I41-L45 HydrophobicContact CG2-CD1 3.94Å; I41-L45 HydrophobicContact CG2-CG 4.42Å; I41-L45 WeakPolarHBondContact O-CB 3.38Å; I41-L45 VanDerWaalsContact O-CG 3.26Å; I41-L45 WeakPolarHBondContact O-CG 3.36Å; I41-L45 PolarHBondContact O-N 2.89Å; I41-L77 HydrophobicContact CG2-CD2 4.06Å; I41-L80 HydrophobicContact CD1-CB 4.09Å; I41-L80 HydrophobicContact CG1-CB 3.55Å; I41-L80 HydrophobicContact CG1-CD1 4.17Å; I41-L80 HydrophobicContact CG1-CG 4.42Å; I41-L84 HydrophobicContact CD1-CB 4.4Å; I41-L84 HydrophobicContact CD1-CD2 3.9Å
42	Q	80.1	Confident	81.4	Confident	117 Å²	117	69.2 Å²	69.2	55%	0.547	35%	0.348	S	S	.	.	H	α-helix	trans	-68.5	-33.4	178.3	-73.5	-172.4	11.8	0	0	113.5	R38 Q39 E40 K46	R38-Q42 WeakPolarHBondContact O-CG 3.37Å; R38-Q42 PolarHBondContact O-N 3.29Å; R38-Q42 VanDerWaalsContact O-N 3.13Å; Q39-Q42 PolarHBondContact O-N 3.38Å; Q39-Q42 VanDerWaalsContact O-N 3.13Å; E40-Q42 VanDerWaalsContact C-N 3.35Å; E40-Q42 PolarHBondContact O-N 2.88Å; Q42-K46 WeakPolarHBondContact O-CD 3.14Å; Q42-K46 VanDerWaalsContact O-CG 3.3Å; Q42-K46 WeakPolarHBondContact O-CG 3.43Å; Q42-K46 PolarHBondContact O-N 2.98Å
43	L	85.8	Confident	81.5	Confident	101 Å²	101	71.8 Å²	71.8	53%	0.529	35%	0.351	S	S	.	.	H	α-helix	trans	-69.7	-46.8	174	-72.1	167.6	0	0	0	110.7	Q39 E40 L45 K46 I47	Q39-L43 WeakPolarHBondContact O-CG 3.46Å; Q39-L43 PolarHBondContact O-N 3.28Å; E40-L43 PolarHBondContact O-N 3.41Å; L43-L45 PolarHBondContact O-N 2.8Å; L43-K46 WeakPolarHBondContact O-CB 3.35Å; L43-K46 PolarHBondContact O-N 3.33Å; L43-K46 VanDerWaalsContact O-N 3.11Å; L43-I47 WeakPolarHBondContact O-CG1 3.24Å; L43-I47 PolarHBondContact O-N 3.1Å
44	E	87.9	Confident	81.3	Confident	14 Å²	14	74.9 Å²	74.9	7%	0.065	36%	0.361	C	S	.	.	H	α-helix	trans	-66.4	-36.5	-179.7	-162.6	63.2	-136.3	0	0	111.9	E40 I41 K46 I47 K48 S73 K76 L77 L80	E40-E44 VanDerWaalsContact O-CB 3.27Å; E40-E44 WeakPolarHBondContact O-CB 3.26Å; E40-E44 PolarHBondContact O-N 3.43Å; I41-E44 PolarHBondContact O-N 2.88Å; E44-K46 VanDerWaalsContact C-N 3.34Å; E44-K46 PolarHBondContact O-N 3.04Å; E44-I47 PolarHBondContact O-N 3.37Å; E44-K48 WeakPolarHBondContact O-CB 3.47Å; E44-K48 PolarHBondContact O-N 3.04Å; E44-S73 PolarHBondContact O-OG 2.83Å; E44-S73 WeakPolarHBondContact OE1-CA 3.39Å; E44-S73 WeakPolarHBondContact OE1-CB 3.21Å; E44-S73 PolarHBondContact OE1-OG 3.43Å; E44-K76 HydrophobicContact CG-CB 4.38Å; E44-K76 HydrophobicContact CG-CD 4.27Å; E44-K76 HydrophobicContact CG-CG 4.32Å; E44-K76 WeakPolarHBondContact OE2-CD 3.47Å; E44-K76 WeakPolarHBondContact OE2-CE 3.14Å; E44-K76 IonicContact OE2-NZ 3.08Å; E44-K76 PolarHBondContact OE2-NZ 2.83Å; E44-L77 HydrophobicContact CB-CD2 3.86Å; E44-L77 HydrophobicContact CB-CG 4.13Å; E44-L77 HydrophobicContact CG-CD1 4.42Å; E44-L77 HydrophobicContact CG-CD2 4.09Å; E44-L77 HydrophobicContact CG-CG 3.78Å; E44-L80 HydrophobicContact CB-CD1 4.42Å
45	L	78.9	Confident	81.1	Confident	89 Å²	89	79.2 Å²	79.2	47%	0.466	38%	0.377	S	S	.	.	H	α-helix	trans	-60.4	-40.2	170	-78.9	169.7	0	0	0	112.6	I41 L43 E49 L77	I41-L45 HydrophobicContact CG2-CD1 3.94Å; I41-L45 HydrophobicContact CG2-CG 4.42Å; I41-L45 WeakPolarHBondContact O-CB 3.38Å; I41-L45 VanDerWaalsContact O-CG 3.26Å; I41-L45 WeakPolarHBondContact O-CG 3.36Å; I41-L45 PolarHBondContact O-N 2.89Å; L43-L45 PolarHBondContact O-N 2.8Å; L45-E49 WeakPolarHBondContact O-CB 3.08Å; L45-E49 PolarHBondContact O-N 3.48Å; L45-L77 HydrophobicContact CD2-CD1 3.81Å; L45-L77 HydrophobicContact CD2-CD2 4.15Å; L45-L77 HydrophobicContact CG-CD1 4.26Å; L45-L77 HydrophobicContact CG-CD2 3.81Å
46	K	83.9	Confident	80.9	Confident	131 Å²	131	84.8 Å²	84.8	57%	0.57	39%	0.388	S	S	*	.	H	α-helix	trans	-68.9	-38.8	176.3	-72.2	167.7	-176.3	172.8	0	111.8	Q42 L43 E44 E49 A50	Q42-K46 WeakPolarHBondContact O-CD 3.14Å; Q42-K46 VanDerWaalsContact O-CG 3.3Å; Q42-K46 WeakPolarHBondContact O-CG 3.43Å; Q42-K46 PolarHBondContact O-N 2.98Å; L43-K46 WeakPolarHBondContact O-CB 3.35Å; L43-K46 PolarHBondContact O-N 3.33Å; L43-K46 VanDerWaalsContact O-N 3.11Å; E44-K46 VanDerWaalsContact C-N 3.34Å; E44-K46 PolarHBondContact O-N 3.04Å; K46-E49 PolarHBondContact O-N 3.03Å; K46-A50 WeakPolarHBondContact O-CB 3.4Å; K46-A50 PolarHBondContact O-N 2.79Å
47	I	82.9	Confident	80.3	Confident	95 Å²	95	82.5 Å²	82.5	49%	0.487	39%	0.389	S	S	.	.	H	α-helix	trans	-62	-48.9	174.1	-68.8	165.1	0	0	0	109.9	L43 E44 E49 A50 A51	L43-I47 WeakPolarHBondContact O-CG1 3.24Å; L43-I47 PolarHBondContact O-N 3.1Å; E44-I47 PolarHBondContact O-N 3.37Å; I47-E49 PolarHBondContact O-N 2.83Å; I47-A50 PolarHBondContact O-N 3.13Å; I47-A51 WeakPolarHBondContact O-CB 3.47Å; I47-A51 PolarHBondContact O-N 2.86Å
48	K	85.4	Confident	79.3	Confident	51 Å²	51	90.4 Å²	90.4	22%	0.222	42%	0.418	C	S	.	.	H	α-helix	trans	-57.9	-46.4	174.8	-175.6	169.6	169.9	170.7	0	112.2	E44 A50 A51 E52 S73 S74 L77	E44-K48 WeakPolarHBondContact O-CB 3.47Å; E44-K48 PolarHBondContact O-N 3.04Å; K48-A50 PolarHBondContact O-N 3.29Å; K48-A51 PolarHBondContact O-N 2.84Å; K48-E52 WeakPolarHBondContact CE-OE1 3.39Å; K48-E52 HydrophobicContact CG-CG 4.4Å; K48-E52 WeakPolarHBondContact O-CB 3.37Å; K48-E52 WeakPolarHBondContact O-CG 3.15Å; K48-E52 PolarHBondContact O-N 3.09Å; K48-S73 WeakPolarHBondContact CB-OG 3.39Å; K48-S74 WeakPolarHBondContact CE-OG 3.41Å; K48-S74 PolarHBondContact NZ-OG 3.31Å; K48-L77 HydrophobicContact CB-CD1 4.45Å; K48-L77 HydrophobicContact CD-CD1 3.86Å
49	E	81.9	Confident	78.4	Confident	95 Å²	95	90.2 Å²	90.2	44%	0.444	43%	0.433	S	S	.	.	H	α-helix	trans	-64.4	-39.8	179.8	-159.8	-168.7	-176	0	0	111.9	L45 K46 I47 E52 R53	L45-E49 WeakPolarHBondContact O-CB 3.08Å; L45-E49 PolarHBondContact O-N 3.48Å; K46-E49 PolarHBondContact O-N 3.03Å; I47-E49 PolarHBondContact O-N 2.83Å; E49-E52 PolarHBondContact O-N 2.9Å; E49-R53 WeakPolarHBondContact O-CB 3.41Å; E49-R53 VanDerWaalsContact O-CG 3.25Å; E49-R53 WeakPolarHBondContact O-CG 3.32Å; E49-R53 PolarHBondContact O-N 3.08Å; E49-R53 IonicContact OE1-CZ 3.16Å; E49-R53 IonicContact OE1-NE 3.13Å; E49-R53 PolarHBondContact OE1-NE 2.88Å; E49-R53 IonicContact OE1-NH2 2.69Å; E49-R53 PolarHBondContact OE1-NH2 3.16Å; E49-R53 IonicContact OE2-CZ 3.1Å; E49-R53 IonicContact OE2-NH2 2.94Å; E49-R53 PolarHBondContact OE2-NH2 3.05Å
50	A	79	Confident	76.8	Confident	45 Å²	45	88.4 Å²	88.4	37%	0.372	44%	0.435	S	S	.	.	H	α-helix	trans	-63.3	-46.8	174.1	0	0	0	0	0	112	K46 I47 K48 E52 R53 M54	K46-A50 WeakPolarHBondContact O-CB 3.4Å; K46-A50 PolarHBondContact O-N 2.79Å; I47-A50 PolarHBondContact O-N 3.13Å; K48-A50 PolarHBondContact O-N 3.29Å; A50-E52 PolarHBondContact O-N 3.34Å; A50-R53 PolarHBondContact O-N 3.48Å; A50-M54 WeakPolarHBondContact O-CG 3.5Å; A50-M54 PolarHBondContact O-N 2.88Å
51	A	78.8	Confident	75.4	Confident	4 Å²	4	97.3 Å²	97.3	3%	0.033	47%	0.466	C	S	.	.	H	α-helix	trans	-62.3	-42	176.6	0	0	0	0	0	112	I47 K48 R53 M54 R55 V66 V70	I47-A51 WeakPolarHBondContact O-CB 3.47Å; I47-A51 PolarHBondContact O-N 2.86Å; K48-A51 PolarHBondContact O-N 2.84Å; A51-R53 PolarHBondContact O-N 2.82Å; A51-M54 PolarHBondContact O-N 2.7Å; A51-R55 WeakPolarHBondContact O-CB 3.25Å; A51-R55 PolarHBondContact O-N 2.92Å; A51-V66 HydrophobicContact CB-CG1 4.32Å; A51-V66 WeakPolarHBondContact O-CG1 3.29Å; A51-V70 HydrophobicContact CB-CG2 3.66Å
52	E	76.3	Confident	74	Confident	48 Å²	48	107.7 Å²	107.7	22%	0.224	50%	0.504	C	S	.	.	H	α-helix	trans	-66.5	-33.6	174.3	-72.2	-172.4	-163.6	0	0	113.2	K48 E49 A50 R56 V70	K48-E52 WeakPolarHBondContact CE-OE1 3.39Å; K48-E52 HydrophobicContact CG-CG 4.4Å; K48-E52 WeakPolarHBondContact O-CB 3.37Å; K48-E52 WeakPolarHBondContact O-CG 3.15Å; K48-E52 PolarHBondContact O-N 3.09Å; E49-E52 PolarHBondContact O-N 2.9Å; A50-E52 PolarHBondContact O-N 3.34Å; E52-R56 VanDerWaalsContact CB-NH1 3.31Å; E52-R56 VanDerWaalsContact O-CG 3.29Å; E52-R56 WeakPolarHBondContact O-CG 3.19Å; E52-R56 PolarHBondContact O-N 3.03Å; E52-R56 VanDerWaalsContact O-N 3.08Å; E52-R56 PolarHBondContact O-NH1 3.33Å; E52-R56 IonicContact OE2-CZ 2.87Å; E52-R56 IonicContact OE2-NH1 2.62Å; E52-R56 PolarHBondContact OE2-NH1 2.88Å; E52-R56 IonicContact OE2-NH2 2.63Å; E52-R56 PolarHBondContact OE2-NH2 2.93Å; E52-V70 HydrophobicContact CG-CG1 3.96Å; E52-V70 HydrophobicContact CG-CG2 3.89Å
53	R	81.2	Confident	72.7	Confident	144 Å²	144	103.4 Å²	103.4	54%	0.543	49%	0.492	S	S	.	.	H	α-helix	trans	-66.5	-43.5	172	-72.7	170.3	-171.4	174.5	3.5	111	E49 A50 A51 R55 R56 A57	E49-R53 WeakPolarHBondContact O-CB 3.41Å; E49-R53 VanDerWaalsContact O-CG 3.25Å; E49-R53 WeakPolarHBondContact O-CG 3.32Å; E49-R53 PolarHBondContact O-N 3.08Å; E49-R53 IonicContact OE1-CZ 3.16Å; E49-R53 IonicContact OE1-NE 3.13Å; E49-R53 PolarHBondContact OE1-NE 2.88Å; E49-R53 IonicContact OE1-NH2 2.69Å; E49-R53 PolarHBondContact OE1-NH2 3.16Å; E49-R53 IonicContact OE2-CZ 3.1Å; E49-R53 IonicContact OE2-NH2 2.94Å; E49-R53 PolarHBondContact OE2-NH2 3.05Å; A50-R53 PolarHBondContact O-N 3.48Å; A51-R53 PolarHBondContact O-N 2.82Å; R53-R55 PolarHBondContact O-N 2.66Å; R53-R56 PolarHBondContact O-N 3.39Å; R53-A57 PolarHBondContact O-N 2.8Å
54	M	73.4	Confident	71.5	Confident	99 Å²	99	101.6 Å²	101.6	49%	0.488	50%	0.497	S	S	.	.	H	α-helix	trans	-63.1	-40.1	174.9	-69.7	-171.8	-68.7	0	0	112.2	A50 A51 R56 A57 Y58 V66	A50-M54 WeakPolarHBondContact O-CG 3.5Å; A50-M54 PolarHBondContact O-N 2.88Å; A51-M54 PolarHBondContact O-N 2.7Å; M54-R56 VanDerWaalsContact C-N 3.32Å; M54-R56 PolarHBondContact O-N 3.14Å; M54-A57 PolarHBondContact O-N 2.87Å; M54-A57 VanDerWaalsContact O-N 3.14Å; M54-Y58 PolarHBondContact O-N 3.12Å; M54-V66 HydrophobicContact CB-CG1 4.41Å
55	R	75.4	Confident	70.4	Confident	116 Å²	116	104.1 Å²	104.1	44%	0.438	52%	0.521	S	S	.	.	H	α-helix	trans	-58.1	-40.5	172.1	178	-172.9	-179.5	141.8	15.5	112.6	A51 R53 V66 D67	A51-R55 WeakPolarHBondContact O-CB 3.25Å; A51-R55 PolarHBondContact O-N 2.92Å; R53-R55 PolarHBondContact O-N 2.66Å; R55-V66 HydrophobicContact CB-CG1 3.99Å; R55-D67 IonicContact CZ-OD1 2.7Å; R55-D67 IonicContact NH1-OD1 3.57Å; R55-D67 PolarHBondContact NH1-OD1 3.14Å; R55-D67 IonicContact NH2-OD1 3.28Å; R55-D67 PolarHBondContact NH2-OD1 3.1Å
56	R	73.6	Confident	70	Confident	163 Å²	163	101.3 Å²	101.3	62%	0.615	51%	0.507	S	S	*	.	H	α-helix	trans	-71.6	-29.9	176.2	-69.7	170	-170.5	112.1	6.6	112.2	E52 R53 M54	E52-R56 VanDerWaalsContact CB-NH1 3.31Å; E52-R56 VanDerWaalsContact O-CG 3.29Å; E52-R56 WeakPolarHBondContact O-CG 3.19Å; E52-R56 PolarHBondContact O-N 3.03Å; E52-R56 VanDerWaalsContact O-N 3.08Å; E52-R56 PolarHBondContact O-NH1 3.33Å; E52-R56 IonicContact OE2-CZ 2.87Å; E52-R56 IonicContact OE2-NH1 2.62Å; E52-R56 PolarHBondContact OE2-NH1 2.88Å; E52-R56 IonicContact OE2-NH2 2.63Å; E52-R56 PolarHBondContact OE2-NH2 2.93Å; R53-R56 PolarHBondContact O-N 3.39Å; M54-R56 VanDerWaalsContact C-N 3.32Å; M54-R56 PolarHBondContact O-N 3.14Å
57	A	71.1	Confident	69.4	Low	66 Å²	66	96.9 Å²	96.9	55%	0.545	49%	0.489	S	S	.	.	H	α-helix	trans	-80.9	-26.7	-178.9	0	0	0	0	0	114.8	R53 M54	R53-A57 PolarHBondContact O-N 2.8Å; M54-A57 PolarHBondContact O-N 2.87Å; M54-A57 VanDerWaalsContact O-N 3.14Å
58	Y	62.7	Low	69.2	Low	183 Å²	183	94 Å²	94	72%	0.718	48%	0.483	S	S	*	.			trans	-125.7	83.8	-177.3	-74.2	-82.7	0	0	0	113.4	M54 S60	M54-Y58 PolarHBondContact O-N 3.12Å; Y58-S60 VanDerWaalsContact C-N 3.32Å; Y58-S60 PolarHBondContact O-N 3.47Å
59	P	57.3	Low	68.9	Low	124 Å²	124	96.6 Å²	96.6	81%	0.805	50%	0.496	S	S	*	.			trans	-73.7	-7.8	-175.2	-20.3	34.3	0	0	0	116.6
60	S	50.1	Low	68.9	Low	93 Å²	93	92.6 Å²	92.6	65%	0.65	48%	0.478	S	S	*	.	S	Bend	trans	-113.1	126.6	-166.3	-172.4	0	0	0	0	114.6	Y58 R62	Y58-S60 VanDerWaalsContact C-N 3.32Å; Y58-S60 PolarHBondContact O-N 3.47Å; S60-R62 PolarHBondContact O-N 3.21Å
61	R	55.3	Low	69	Low	255 Å²	255	96 Å²	96	96%	0.962	49%	0.485	S	S	*	.	S	Bend	trans	43.3	-17.5	167	-74.5	-167.2	174.8	-163.7	-1	121.7
62	R	53.2	Low	69.3	Low	228 Å²	228	98.6 Å²	98.6	86%	0.86	51%	0.507	S	S	*	.	S	Bend	trans	-96	-7	168.3	-69.6	-168.6	-177	-169	2.9	113.8	S60 G64 A65	S60-R62 PolarHBondContact O-N 3.21Å; R62-G64 PolarHBondContact O-N 3.39Å; R62-A65 PolarHBondContact O-N 2.79Å
63	G	52.8	Low	69.8	Low	28 Å²	28	96.6 Å²	96.6	29%	0.289	50%	0.498	S	S	.	.	H	α-helix	trans	-60.3	-14.1	-173.5	0	0	0	0	0	116.5	A65 V66 D67	G63-A65 VanDerWaalsContact C-N 3.33Å; G63-A65 PolarHBondContact O-N 3.33Å; G63-V66 PolarHBondContact O-N 3.48Å; G63-D67 WeakPolarHBondContact O-CB 3.33Å; G63-D67 PolarHBondContact O-N 3.03Å
64	G	60.7	Low	69.7	Low	63 Å²	63	90.9 Å²	90.9	65%	0.649	48%	0.48	S	S	*	.	H	α-helix	trans	-63.1	-33.8	177.7	0	0	0	0	0	114.1	R62 G68	R62-G64 PolarHBondContact O-N 3.39Å; G64-G68 PolarHBondContact O-N 2.89Å; G64-G68 VanDerWaalsContact O-N 3.15Å
65	A	64.8	Low	70.3	Confident	67 Å²	67	95 Å²	95	55%	0.554	49%	0.49	S	S	*	.	H	α-helix	trans	-67.1	-49.3	175.5	0	0	0	0	0	111.2	R62 G63 D67 G68 E69	R62-A65 PolarHBondContact O-N 2.79Å; G63-A65 VanDerWaalsContact C-N 3.33Å; G63-A65 PolarHBondContact O-N 3.33Å; A65-D67 PolarHBondContact O-N 2.75Å; A65-G68 CarbonylContact O-C 3.51Å; A65-G68 WeakPolarHBondContact O-CA 3.39Å; A65-G68 PolarHBondContact O-N 3.38Å; A65-E69 PolarHBondContact O-N 3.1Å
66	V	69.6	Low	70.9	Confident	30 Å²	30	93.8 Å²	93.8	18%	0.182	49%	0.488	C	S	.	.	H	α-helix	trans	-69.1	-34.4	-177.3	-167.7	0	0	0	0	112.1	A51 M54 R55 G63 G68 E69 V70	A51-V66 HydrophobicContact CB-CG1 4.32Å; A51-V66 WeakPolarHBondContact O-CG1 3.29Å; M54-V66 HydrophobicContact CB-CG1 4.41Å; R55-V66 HydrophobicContact CB-CG1 3.99Å; G63-V66 PolarHBondContact O-N 3.48Å; V66-G68 VanDerWaalsContact C-N 3.3Å; V66-E69 PolarHBondContact O-N 3.21Å; V66-V70 WeakPolarHBondContact O-CG2 3.42Å; V66-V70 PolarHBondContact O-N 3.28Å
67	D	72	Confident	71.3	Confident	37 Å²	37	86.6 Å²	86.6	20%	0.198	46%	0.462	C	S	.	.	H	α-helix	trans	-67.1	-32.1	170.7	-177.7	66.5	0	0	0	111.8	R55 G63 A65 K71	R55-D67 IonicContact CZ-OD1 2.7Å; R55-D67 IonicContact NH1-OD1 3.57Å; R55-D67 PolarHBondContact NH1-OD1 3.14Å; R55-D67 IonicContact NH2-OD1 3.28Å; R55-D67 PolarHBondContact NH2-OD1 3.1Å; G63-D67 WeakPolarHBondContact O-CB 3.33Å; G63-D67 PolarHBondContact O-N 3.03Å; A65-D67 PolarHBondContact O-N 2.75Å; D67-K71 WeakPolarHBondContact O-CB 3.22Å; D67-K71 WeakPolarHBondContact O-CD 3.41Å; D67-K71 VanDerWaalsContact O-CG 3.25Å; D67-K71 WeakPolarHBondContact O-CG 3.36Å; D67-K71 PolarHBondContact O-N 3.43Å; D67-K71 VanDerWaalsContact O-N 3.14Å; D67-K71 IonicContact OD1-NZ 2.63Å; D67-K71 VanDerWaalsContact OD2-CE 3.28Å; D67-K71 WeakPolarHBondContact OD2-CE 3.38Å; D67-K71 IonicContact OD2-NZ 2.72Å; D67-K71 PolarHBondContact OD2-NZ 3.24Å
68	G	78.4	Confident	71.4	Confident	35 Å²	35	89.4 Å²	89.4	36%	0.361	46%	0.463	S	S	.	.	H	α-helix	trans	-63.2	-48.1	168.8	0	0	0	0	0	112.8	G64 A65 V66 K71 A72	G64-G68 PolarHBondContact O-N 2.89Å; G64-G68 VanDerWaalsContact O-N 3.15Å; A65-G68 CarbonylContact O-C 3.51Å; A65-G68 WeakPolarHBondContact O-CA 3.39Å; A65-G68 PolarHBondContact O-N 3.38Å; V66-G68 VanDerWaalsContact C-N 3.3Å; G68-K71 PolarHBondContact O-N 2.8Å; G68-A72 WeakPolarHBondContact O-CB 3.46Å; G68-A72 PolarHBondContact O-N 2.67Å
69	E	79.1	Confident	72.5	Confident	106 Å²	106	86.2 Å²	86.2	50%	0.495	46%	0.455	S	S	.	.	H	α-helix	trans	-60.7	-46.8	177	-70.3	170.6	166.6	0	0	112	A65 V66 K71 A72 S73	A65-E69 PolarHBondContact O-N 3.1Å; V66-E69 PolarHBondContact O-N 3.21Å; E69-K71 VanDerWaalsContact C-N 3.28Å; E69-K71 PolarHBondContact O-N 3Å; E69-A72 PolarHBondContact O-N 2.73Å; E69-S73 VanDerWaalsContact O-CB 3.26Å; E69-S73 WeakPolarHBondContact O-CB 3.34Å; E69-S73 PolarHBondContact O-N 2.98Å
70	V	81.3	Confident	73.6	Confident	10 Å²	10	80.7 Å²	80.7	6%	0.061	42%	0.418	C	S	.	.	H	α-helix	trans	-60.4	-37.2	176.3	171.2	0	0	0	0	111.5	A51 E52 V66 S74	A51-V70 HydrophobicContact CB-CG2 3.66Å; E52-V70 HydrophobicContact CG-CG1 3.96Å; E52-V70 HydrophobicContact CG-CG2 3.89Å; V66-V70 WeakPolarHBondContact O-CG2 3.42Å; V66-V70 PolarHBondContact O-N 3.28Å; V70-S74 WeakPolarHBondContact O-CB 3.42Å; V70-S74 PolarHBondContact O-N 3.37Å; V70-S74 VanDerWaalsContact O-N 3.07Å; V70-S74 PolarHBondContact O-OG 3.2Å
71	K	82.4	Confident	74.7	Confident	116 Å²	116	80.8 Å²	80.8	50%	0.504	41%	0.409	S	S	.	.	H	α-helix	trans	-72.1	-41.6	176.1	-75.7	167.7	178	168.2	0	112.6	D67 G68 E69 S74 R75	D67-K71 WeakPolarHBondContact O-CB 3.22Å; D67-K71 WeakPolarHBondContact O-CD 3.41Å; D67-K71 VanDerWaalsContact O-CG 3.25Å; D67-K71 WeakPolarHBondContact O-CG 3.36Å; D67-K71 PolarHBondContact O-N 3.43Å; D67-K71 VanDerWaalsContact O-N 3.14Å; D67-K71 IonicContact OD1-NZ 2.63Å; D67-K71 VanDerWaalsContact OD2-CE 3.28Å; D67-K71 WeakPolarHBondContact OD2-CE 3.38Å; D67-K71 IonicContact OD2-NZ 2.72Å; D67-K71 PolarHBondContact OD2-NZ 3.24Å; G68-K71 PolarHBondContact O-N 2.8Å; E69-K71 VanDerWaalsContact C-N 3.28Å; E69-K71 PolarHBondContact O-N 3Å; K71-S74 PolarHBondContact O-N 2.87Å; K71-R75 PolarHBondContact O-N 3.25Å; K71-R75 VanDerWaalsContact O-N 3.15Å
72	A	85.2	Confident	75.6	Confident	60 Å²	60	74.1 Å²	74.1	50%	0.496	39%	0.391	S	S	.	.	H	α-helix	trans	-63.2	-47.8	176.1	0	0	0	0	0	111.4	G68 E69 S74 R75 K76	G68-A72 WeakPolarHBondContact O-CB 3.46Å; G68-A72 PolarHBondContact O-N 2.67Å; E69-A72 PolarHBondContact O-N 2.73Å; A72-S74 VanDerWaalsContact C-N 3.31Å; A72-S74 PolarHBondContact O-N 3.16Å; A72-R75 PolarHBondContact O-N 3.33Å; A72-K76 PolarHBondContact O-N 3.16Å
73	S	85.9	Confident	76.8	Confident	5 Å²	5	67 Å²	67	4%	0.035	37%	0.368	C	S	.	.	H	α-helix	trans	-61.2	-37.8	176.8	-171.2	0	0	0	0	112.3	E44 K48 E69 K76 L77	E44-S73 PolarHBondContact O-OG 2.83Å; E44-S73 WeakPolarHBondContact OE1-CA 3.39Å; E44-S73 WeakPolarHBondContact OE1-CB 3.21Å; E44-S73 PolarHBondContact OE1-OG 3.43Å; K48-S73 WeakPolarHBondContact CB-OG 3.39Å; E69-S73 VanDerWaalsContact O-CB 3.26Å; E69-S73 WeakPolarHBondContact O-CB 3.34Å; E69-S73 PolarHBondContact O-N 2.98Å; S73-K76 PolarHBondContact O-N 3.45Å; S73-L77 WeakPolarHBondContact O-CG 3.35Å; S73-L77 PolarHBondContact O-N 2.84Å
74	S	78.9	Confident	77.9	Confident	24 Å²	24	66.7 Å²	66.7	17%	0.168	36%	0.36	C	S	.	.	H	α-helix	trans	-62.3	-46	174.1	-59.2	0	0	0	0	112.8	K48 V70 K71 A72 K76 L77 E78	K48-S74 WeakPolarHBondContact CE-OG 3.41Å; K48-S74 PolarHBondContact NZ-OG 3.31Å; V70-S74 WeakPolarHBondContact O-CB 3.42Å; V70-S74 PolarHBondContact O-N 3.37Å; V70-S74 VanDerWaalsContact O-N 3.07Å; V70-S74 PolarHBondContact O-OG 3.2Å; K71-S74 PolarHBondContact O-N 2.87Å; A72-S74 VanDerWaalsContact C-N 3.31Å; A72-S74 PolarHBondContact O-N 3.16Å; S74-K76 PolarHBondContact O-N 3.45Å; S74-L77 WeakPolarHBondContact O-CB 3.36Å; S74-L77 PolarHBondContact O-N 3.4Å; S74-E78 WeakPolarHBondContact O-CG 3.18Å; S74-E78 PolarHBondContact O-N 2.91Å
75	R	86.3	Confident	77.9	Confident	187 Å²	187	70 Å²	70	71%	0.706	36%	0.358	S	S	*	.	H	α-helix	trans	-65	-38.2	176.7	-70.3	174.5	176.9	178	-2.5	112.5	K71 A72 L77 E78 Q79	K71-R75 PolarHBondContact O-N 3.25Å; K71-R75 VanDerWaalsContact O-N 3.15Å; A72-R75 PolarHBondContact O-N 3.33Å; R75-L77 VanDerWaalsContact C-N 3.33Å; R75-E78 PolarHBondContact O-N 2.97Å; R75-Q79 PolarHBondContact O-N 3.21Å
76	K	88.1	Confident	78.2	Confident	89 Å²	89	72.9 Å²	72.9	39%	0.387	36%	0.36	S	S	.	.	H	α-helix	trans	-65.8	-36.9	175.6	-173.9	174.7	165.6	-152.5	0	111.6	E44 A72 S73 S74 Q79 L80	E44-K76 HydrophobicContact CG-CB 4.38Å; E44-K76 HydrophobicContact CG-CD 4.27Å; E44-K76 HydrophobicContact CG-CG 4.32Å; E44-K76 WeakPolarHBondContact OE2-CD 3.47Å; E44-K76 WeakPolarHBondContact OE2-CE 3.14Å; E44-K76 IonicContact OE2-NZ 3.08Å; E44-K76 PolarHBondContact OE2-NZ 2.83Å; A72-K76 PolarHBondContact O-N 3.16Å; S73-K76 PolarHBondContact O-N 3.45Å; S74-K76 PolarHBondContact O-N 3.45Å; K76-Q79 PolarHBondContact O-N 2.87Å; K76-L80 HydrophobicContact CG-CD1 4.13Å; K76-L80 HydrophobicContact CG-CG 4.5Å; K76-L80 WeakPolarHBondContact O-CB 3.29Å; K76-L80 VanDerWaalsContact O-CG 3.3Å; K76-L80 WeakPolarHBondContact O-CG 3.2Å; K76-L80 PolarHBondContact O-N 3.23Å
77	L	82.5	Confident	78.3	Confident	13 Å²	13	73 Å²	73	7%	0.068	36%	0.359	C	S	.	.	H	α-helix	trans	-63.4	-42.6	171.5	-77.5	164.8	0	0	0	112.4	I41 E44 L45 K48 S73 S74 R75 L80 H81	I41-L77 HydrophobicContact CG2-CD2 4.06Å; E44-L77 HydrophobicContact CB-CD2 3.86Å; E44-L77 HydrophobicContact CB-CG 4.13Å; E44-L77 HydrophobicContact CG-CD1 4.42Å; E44-L77 HydrophobicContact CG-CD2 4.09Å; E44-L77 HydrophobicContact CG-CG 3.78Å; L45-L77 HydrophobicContact CD2-CD1 3.81Å; L45-L77 HydrophobicContact CD2-CD2 4.15Å; L45-L77 HydrophobicContact CG-CD1 4.26Å; L45-L77 HydrophobicContact CG-CD2 3.81Å; K48-L77 HydrophobicContact CB-CD1 4.45Å; K48-L77 HydrophobicContact CD-CD1 3.86Å; S73-L77 WeakPolarHBondContact O-CG 3.35Å; S73-L77 PolarHBondContact O-N 2.84Å; S74-L77 WeakPolarHBondContact O-CB 3.36Å; S74-L77 PolarHBondContact O-N 3.4Å; R75-L77 VanDerWaalsContact C-N 3.33Å; L77-L80 PolarHBondContact O-N 3.16Å; L77-H81 PolarHBondContact O-N 3.09Å; L77-H81 PolarHBondContact O-ND1 2.86Å
78	E	73.7	Confident	77.9	Confident	124 Å²	124	73.6 Å²	73.6	58%	0.579	36%	0.363	S	S	*	.	H	α-helix	trans	-59.3	-46.7	174.6	-70.4	158	-174.8	0	0	111.1	S74 R75 H81 L82	S74-E78 WeakPolarHBondContact O-CG 3.18Å; S74-E78 PolarHBondContact O-N 2.91Å; R75-E78 PolarHBondContact O-N 2.97Å; E78-H81 PolarHBondContact O-N 3.42Å; E78-L82 WeakPolarHBondContact O-CG 3.27Å; E78-L82 PolarHBondContact O-N 3.11Å; E78-L82 VanDerWaalsContact O-N 3.09Å
79	Q	85	Confident	77	Confident	117 Å²	117	75 Å²	75	55%	0.547	37%	0.371	S	S	.	.	H	α-helix	trans	-60.8	-45.5	176.6	-175.5	176.6	-0	0	0	113	R75 K76 H81 L82 Q83	R75-Q79 PolarHBondContact O-N 3.21Å; K76-Q79 PolarHBondContact O-N 2.87Å; Q79-H81 VanDerWaalsContact C-N 3.35Å; Q79-H81 PolarHBondContact O-N 3.4Å; Q79-L82 PolarHBondContact O-N 2.63Å; Q79-Q83 WeakPolarHBondContact O-CG 3.45Å; Q79-Q83 PolarHBondContact O-N 3.25Å
80	L	81.1	Confident	76.4	Confident	7 Å²	7	73.3 Å²	73.3	4%	0.037	37%	0.365	C	S	.	.	H	α-helix	trans	-66.4	-34.7	179	-72.7	166.7	0	0	0	112.4	V37 E40 I41 E44 K76 L77 Q83 L84	V37-L80 HydrophobicContact CG1-CB 4.44Å; V37-L80 HydrophobicContact CG1-CD2 4.22Å; V37-L80 WeakPolarHBondContact CG1-O 3.25Å; E40-L80 HydrophobicContact CB-CD1 4.17Å; E40-L80 HydrophobicContact CB-CD2 4.17Å; I41-L80 HydrophobicContact CD1-CB 4.09Å; I41-L80 HydrophobicContact CG1-CB 3.55Å; I41-L80 HydrophobicContact CG1-CD1 4.17Å; I41-L80 HydrophobicContact CG1-CG 4.42Å; E44-L80 HydrophobicContact CB-CD1 4.42Å; K76-L80 HydrophobicContact CG-CD1 4.13Å; K76-L80 HydrophobicContact CG-CG 4.5Å; K76-L80 WeakPolarHBondContact O-CB 3.29Å; K76-L80 VanDerWaalsContact O-CG 3.3Å; K76-L80 WeakPolarHBondContact O-CG 3.2Å; K76-L80 PolarHBondContact O-N 3.23Å; L77-L80 PolarHBondContact O-N 3.16Å; L80-Q83 PolarHBondContact O-N 3.15Å; L80-L84 WeakPolarHBondContact O-CB 3.49Å; L80-L84 PolarHBondContact O-N 3.45Å
81	H	73.3	Confident	75.1	Confident	96 Å²	96	73.1 Å²	73.1	44%	0.444	36%	0.363	S	S	.	.	H	α-helix	trans	-67.4	-39.6	174.1	-77.5	87.7	0	0	0	111.9	L77 E78 Q79 L84 Q85	L77-H81 PolarHBondContact O-N 3.09Å; L77-H81 PolarHBondContact O-ND1 2.86Å; E78-H81 PolarHBondContact O-N 3.42Å; Q79-H81 VanDerWaalsContact C-N 3.35Å; Q79-H81 PolarHBondContact O-N 3.4Å; H81-L84 PolarHBondContact O-N 2.76Å; H81-Q85 WeakPolarHBondContact O-CB 3.49Å; H81-Q85 PolarHBondContact O-N 2.74Å
82	L	72.4	Confident	73.5	Confident	114 Å²	114	74 Å²	74	60%	0.597	37%	0.371	S	S	*	.	H	α-helix	trans	-61.8	-45	173.9	-71.2	169.9	0	0	0	111.6	E78 Q79 L84 Q85 E86	E78-L82 WeakPolarHBondContact O-CG 3.27Å; E78-L82 PolarHBondContact O-N 3.11Å; E78-L82 VanDerWaalsContact O-N 3.09Å; Q79-L82 PolarHBondContact O-N 2.63Å; L82-L84 VanDerWaalsContact C-N 3.34Å; L82-L84 PolarHBondContact O-N 2.9Å; L82-Q85 WeakPolarHBondContact O-CB 3.46Å; L82-Q85 PolarHBondContact O-N 2.91Å; L82-E86 PolarHBondContact O-N 3.12Å
83	Q	79.3	Confident	71.8	Confident	79 Å²	79	74.2 Å²	74.2	37%	0.369	37%	0.373	S	S	.	.	H	α-helix	trans	-62.5	-39.2	175.3	-71.6	178.2	-43.9	0	0	112.4	Q79 L80 Q85 E86 L87	Q79-Q83 WeakPolarHBondContact O-CG 3.45Å; Q79-Q83 PolarHBondContact O-N 3.25Å; L80-Q83 PolarHBondContact O-N 3.15Å; Q83-Q85 VanDerWaalsContact C-N 3.34Å; Q83-E86 PolarHBondContact O-N 3.07Å; Q83-L87 VanDerWaalsContact O-CG 3.31Å; Q83-L87 WeakPolarHBondContact O-CG 3.36Å; Q83-L87 PolarHBondContact O-N 3.45Å
84	L	75.3	Confident	70	Confident	22 Å²	22	74.9 Å²	74.9	12%	0.115	38%	0.377	C	S	.	.	H	α-helix	trans	-66.4	-36.8	174.7	-175	58.3	0	0	0	112	R34 V37 R38 I41 L80 H81 L82 N88	R34-L84 HydrophobicContact CB-CD1 4.22Å; R34-L84 HydrophobicContact CG-CD1 4.16Å; V37-L84 HydrophobicContact CG1-CB 3.9Å; R38-L84 HydrophobicContact CG-CD1 4Å; R38-L84 HydrophobicContact CG-CD2 3.75Å; I41-L84 HydrophobicContact CD1-CB 4.4Å; I41-L84 HydrophobicContact CD1-CD2 3.9Å; L80-L84 WeakPolarHBondContact O-CB 3.49Å; L80-L84 PolarHBondContact O-N 3.45Å; H81-L84 PolarHBondContact O-N 2.76Å; L82-L84 VanDerWaalsContact C-N 3.34Å; L82-L84 PolarHBondContact O-N 2.9Å; L84-N88 WeakPolarHBondContact O-CB 3.43Å; L84-N88 PolarHBondContact O-N 2.77Å; L84-N88 PolarHBondContact O-ND2 3.28Å
85	Q	61	Low	68.1	Low	132 Å²	132	78.8 Å²	78.8	62%	0.617	39%	0.392	S	S	*	.	H	α-helix	trans	-67	-42.6	176.3	-174.8	173.5	-8.5	0	0	111.7	H81 L82 Q83 N88 A89	H81-Q85 WeakPolarHBondContact O-CB 3.49Å; H81-Q85 PolarHBondContact O-N 2.74Å; L82-Q85 WeakPolarHBondContact O-CB 3.46Å; L82-Q85 PolarHBondContact O-N 2.91Å; Q83-Q85 VanDerWaalsContact C-N 3.34Å; Q85-N88 PolarHBondContact O-N 3.13Å; Q85-A89 PolarHBondContact O-N 2.71Å
86	E	72.3	Confident	66.1	Low	128 Å²	128	78.2 Å²	78.2	60%	0.598	40%	0.395	S	S	*	.	H	α-helix	trans	-60.6	-49.1	174.1	-175.1	174.3	-153.9	0	0	111.8	L82 Q83 N88 A89 I90	L82-E86 PolarHBondContact O-N 3.12Å; Q83-E86 PolarHBondContact O-N 3.07Å; E86-N88 VanDerWaalsContact C-N 3.28Å; E86-N88 PolarHBondContact O-N 3.39Å; E86-A89 PolarHBondContact O-N 2.81Å; E86-A89 VanDerWaalsContact O-N 3.13Å; E86-I90 HydrophobicContact CG-CD1 4.4Å; E86-I90 WeakPolarHBondContact O-CG1 3.24Å; E86-I90 PolarHBondContact O-N 3.46Å
87	L	69.8	Low	63.8	Low	31 Å²	31	79.2 Å²	79.2	16%	0.162	41%	0.405	C	S	.	.	H	α-helix	trans	-62.2	-32.1	176.5	-70.5	170.9	0	0	0	113.2	L30 A33 R34 V37 Q83 S91	L30-L87 HydrophobicContact CD1-CD2 3.66Å; L30-L87 HydrophobicContact CG-CD2 4.42Å; A33-L87 HydrophobicContact CB-CD1 4.22Å; R34-L87 HydrophobicContact CG-CB 3.6Å; R34-L87 HydrophobicContact CG-CD1 4.07Å; R34-L87 HydrophobicContact CG-CG 4.43Å; V37-L87 HydrophobicContact CG2-CD1 4.16Å; Q83-L87 VanDerWaalsContact O-CG 3.31Å; Q83-L87 WeakPolarHBondContact O-CG 3.36Å; Q83-L87 PolarHBondContact O-N 3.45Å; L87-S91 PolarHBondContact O-N 3.08Å
88	N	64.5	Low	61.5	Low	50 Å²	50	84.4 Å²	84.4	27%	0.267	43%	0.432	S	S	.	.	H	α-helix	trans	-73.5	-39.4	173.6	-68.8	-35	0	0	0	111.7	R34 L84 Q85 E86 I90 S91 M92	R34-N88 VanDerWaalsContact CD-OD1 3.25Å; R34-N88 WeakPolarHBondContact CD-OD1 3.41Å; L84-N88 WeakPolarHBondContact O-CB 3.43Å; L84-N88 PolarHBondContact O-N 2.77Å; L84-N88 PolarHBondContact O-ND2 3.28Å; Q85-N88 PolarHBondContact O-N 3.13Å; E86-N88 VanDerWaalsContact C-N 3.28Å; E86-N88 PolarHBondContact O-N 3.39Å; N88-I90 VanDerWaalsContact C-N 3.32Å; N88-I90 PolarHBondContact O-N 3Å; N88-S91 PolarHBondContact O-N 3.14Å; N88-S91 VanDerWaalsContact O-N 3.13Å; N88-M92 PolarHBondContact O-N 3.3Å
89	A	59.6	Low	59.7	Low	64 Å²	64	86.9 Å²	86.9	53%	0.529	44%	0.443	S	S	.	.	H	α-helix	trans	-61.6	-39.6	176.9	0	0	0	0	0	112	Q85 E86 S91 M92 A93	Q85-A89 PolarHBondContact O-N 2.71Å; E86-A89 PolarHBondContact O-N 2.81Å; E86-A89 VanDerWaalsContact O-N 3.13Å; A89-S91 VanDerWaalsContact C-N 3.34Å; A89-S91 PolarHBondContact O-N 2.63Å; A89-M92 PolarHBondContact O-N 2.82Å; A89-A93 PolarHBondContact O-N 2.93Å
90	I	66.6	Low	57.4	Low	72 Å²	72	85.8 Å²	85.8	37%	0.369	45%	0.454	S	S	.	.	H	α-helix	trans	-60.3	-43.8	172.6	-65.7	165.1	0	0	0	110.8	L30 E86 N88 M92 A93	L30-I90 HydrophobicContact CD1-CG2 4.14Å; L30-I90 HydrophobicContact CD2-CB 4.42Å; L30-I90 HydrophobicContact CD2-CG2 3.94Å; E86-I90 HydrophobicContact CG-CD1 4.4Å; E86-I90 WeakPolarHBondContact O-CG1 3.24Å; E86-I90 PolarHBondContact O-N 3.46Å; N88-I90 VanDerWaalsContact C-N 3.32Å; N88-I90 PolarHBondContact O-N 3Å; I90-M92 PolarHBondContact O-N 3.15Å; I90-A93 WeakPolarHBondContact O-CB 3.44Å; I90-A93 PolarHBondContact O-N 3.06Å
91	S	54.3	Low	55.1	Low	5 Å²	5	89.2 Å²	89.2	4%	0.035	48%	0.484	C	S	.	.	H	α-helix	trans	-69.7	-27.1	179	-171.3	0	0	0	0	114.2	R34 L87 N88 A89 A93 T94	R34-S91 PolarHBondContact NH1-OG 2.99Å; R34-S91 PolarHBondContact NH2-OG 3.16Å; L87-S91 PolarHBondContact O-N 3.08Å; N88-S91 PolarHBondContact O-N 3.14Å; N88-S91 VanDerWaalsContact O-N 3.13Å; A89-S91 VanDerWaalsContact C-N 3.34Å; A89-S91 PolarHBondContact O-N 2.63Å; S91-A93 VanDerWaalsContact C-N 3.29Å; S91-T94 PolarHBondContact O-OG1 3.14Å; S91-T94 VanDerWaalsContact O-OG1 3.07Å
92	M	47.5	Very low	53.2	Low	134 Å²	134	91.1 Å²	91.1	66%	0.66	50%	0.502	S	S	*	.	H	α-helix	trans	-80.4	-11.1	175.7	-68.5	-164.1	77.5	0	0	113	N88 A89 I90	N88-M92 PolarHBondContact O-N 3.3Å; A89-M92 PolarHBondContact O-N 2.82Å; I90-M92 PolarHBondContact O-N 3.15Å
93	A	49.6	Very low	51.1	Low	65 Å²	65	92.3 Å²	92.3	54%	0.537	51%	0.514	S	S	.	.	H	α-helix	trans	-75.6	-32.4	171.8	0	0	0	0	0	112.2	A89 I90 S91	A89-A93 PolarHBondContact O-N 2.93Å; I90-A93 WeakPolarHBondContact O-CB 3.44Å; I90-A93 PolarHBondContact O-N 3.06Å; S91-A93 VanDerWaalsContact C-N 3.29Å
94	T	48	Very low	48.8	Very low	19 Å²	19	94.4 Å²	94.4	12%	0.117	54%	0.535	C	S	.	.	H	α-helix	trans	-83.5	-29.6	-176	54.9	0	0	0	0	114.1	I21 L22 S91 K96	I21-T94 HydrophobicContact CG2-CG2 3.63Å; L22-T94 HydrophobicContact CD2-CG2 4.2Å; S91-T94 PolarHBondContact O-OG1 3.14Å; S91-T94 VanDerWaalsContact O-OG1 3.07Å; T94-K96 PolarHBondContact O-N 3.04Å; T94-K96 VanDerWaalsContact O-N 3.09Å
95	E	40.1	Very low	46.7	Very low	107 Å²	107	102.1 Å²	102.1	50%	0.5	57%	0.57	S	S	.	*	T	Hydrogen-bonded Turn	trans	-62.7	-16.2	175.9	-69.8	177.4	170	0	0	113.5
96	K	43.1	Very low	45.1	Very low	174 Å²	174	105.5 Å²	105.5	76%	0.757	59%	0.586	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.7	-29	-174.1	-141.3	-176.7	-177.6	-167.6	0	113.8	T94	T94-K96 PolarHBondContact O-N 3.04Å; T94-K96 VanDerWaalsContact O-N 3.09Å
97	D	40.8	Very low	43.2	Very low	111 Å²	111	108.6 Å²	108.6	59%	0.594	60%	0.601	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.9	-28.3	-175.8	-63.7	-20.1	0	0	0	112.2	H99 A100	D97-H99 VanDerWaalsContact C-N 3.26Å; D97-H99 PolarHBondContact O-N 2.89Å; D97-A100 PolarHBondContact O-N 3.09Å
98	N	34	Very low	41.2	Very low	121 Å²	121	116.8 Å²	116.8	65%	0.647	64%	0.638	S	S	*	*	G	3₁₀ helix	trans	-66	-22.8	179.8	-81.2	-17.3	0	0	0	114.2
99	H	35.4	Very low	39.4	Very low	176 Å²	176	120.8 Å²	120.8	82%	0.815	66%	0.659	S	S	*	*	G	3₁₀ helix	trans	-89.6	6.2	-176.3	-78.5	-55.1	0	0	0	114.8	D97	D97-H99 VanDerWaalsContact C-N 3.26Å; D97-H99 PolarHBondContact O-N 2.89Å
100	A	37	Very low	37.8	Very low	94 Å²	94	126.6 Å²	126.6	78%	0.777	68%	0.675	S	S	*	*	G	3₁₀ helix	trans	-86.5	-11.3	173.6	0	0	0	0	0	114	D97	D97-A100 PolarHBondContact O-N 3.09Å
101	A	33.7	Very low	36	Very low	80 Å²	80	127.7 Å²	127.7	66%	0.661	69%	0.69	S	S	*	*	S	Bend	trans	-112.4	46.5	-162.9	0	0	0	0	0	114.9
102	T	32.2	Very low	34.6	Very low	135 Å²	135	133 Å²	133	83%	0.828	73%	0.726	S	S	*	*			trans	-163.9	102.1	164.3	-7.1	0	0	0	0	114.2
103	V	29.2	Very low	34.1	Very low	140 Å²	140	135.9 Å²	135.9	85%	0.848	74%	0.739	S	S	*	*			trans	-178.8	147	142.3	141	0	0	0	0	107.6
104	P	31.6	Very low	33.1	Very low	123 Å²	123	138.6 Å²	138.6	80%	0.799	75%	0.751	S	S	*	*			trans	-81.4	171.7	-166.3	-14.3	32.3	0	0	0	116
105	E	30.1	Very low	32.2	Very low	184 Å²	184	142.6 Å²	142.6	86%	0.86	78%	0.78	S	S	*	*			trans	-82.5	145.8	-176.6	-58.9	153.5	140.6	0	0	113
106	E	28.8	Very low	32	Very low	203 Å²	203	147 Å²	147	95%	0.949	80%	0.8	S	S	*	*			trans	-131	144.1	139.9	-74.8	-167.7	156.5	0	0	107.3
107	E	31.6	Very low	31.7	Very low	193 Å²	193	147.3 Å²	147.3	90%	0.902	80%	0.796	S	S	*	*			trans	-92.4	134.4	-160.8	-57.4	179.4	115.4	0	0	114
108	E	27.8	Very low	31.4	Very low	202 Å²	202	149.6 Å²	149.6	94%	0.944	80%	0.804	S	S	*	*			trans	-150.4	146.5	130.5	-132.5	175.8	-154.4	0	0	110.6
109	N	26.8	Very low	31.3	Very low	135 Å²	135	152.5 Å²	152.5	72%	0.722	81%	0.813	S	S	*	*			trans	-130.6	113.3	-152.9	179.7	2.7	0	0	0	113.5
110	Q	26.3	Very low	31.5	Very low	185 Å²	185	150.2 Å²	150.2	86%	0.864	81%	0.811	S	S	*	*			trans	-162.5	99.7	154.8	-115.2	144.4	103.8	0	0	114.7
111	S	27.3	Very low	31.3	Very low	96 Å²	96	148.8 Å²	148.8	67%	0.671	79%	0.793	S	S	*	*			trans	46.4	131.3	140.6	61.7	0	0	0	0	122.8
112	S	26.7	Very low	31.8	Very low	115 Å²	115	148 Å²	148	80%	0.804	78%	0.782	S	S	*	*			trans	101.2	119	157	-44.6	0	0	0	0	116.6	P114	S112-P114 WeakPolarHBondContact O-CD 3.49Å
113	E	35.7	Very low	32.6	Very low	196 Å²	196	146 Å²	146	92%	0.916	77%	0.772	S	S	*	*	P	Polyproline II helix	trans	-74	126.6	175	-63.2	-179	119.1	0	0	112.2
114	P	29.9	Very low	33.5	Very low	122 Å²	122	143.1 Å²	143.1	79%	0.792	75%	0.751	S	S	*	*	P	Polyproline II helix	trans	-78.5	151.2	165.6	-14.6	31.7	0	0	0	112	S112	S112-P114 WeakPolarHBondContact O-CD 3.49Å
115	S	28.6	Very low	34.1	Very low	103 Å²	103	139.3 Å²	139.3	72%	0.72	73%	0.73	S	S	*	*	P	Polyproline II helix	trans	-70.2	159	179.1	-68.2	0	0	0	0	113.3	W117	S115-W117 PolarHBondContact O-N 3.15Å
116	Q	36.3	Very low	35	Very low	198 Å²	198	132.1 Å²	132.1	93%	0.925	70%	0.701	S	S	*	*	S	Bend	trans	-75.4	47.6	-176.5	-160.6	172.4	60.3	0	0	114.4
117	W	35.8	Very low	36.3	Very low	181 Å²	181	127.4 Å²	127.4	69%	0.686	67%	0.674	S	S	*	*	S	Bend	trans	-134	116.9	171.4	-58.3	95.6	0	0	0	107	S115 E119	S115-W117 PolarHBondContact O-N 3.15Å; W117-E119 PolarHBondContact O-N 3.44Å
118	E	34.2	Very low	37.5	Very low	160 Å²	160	119.1 Å²	119.1	75%	0.748	64%	0.636	S	S	*	*			trans	-63.6	112.4	-177.6	-72.7	-168.2	152.1	0	0	110.5
119	E	31.8	Very low	38.8	Very low	182 Å²	182	116 Å²	116	85%	0.85	62%	0.615	S	S	*	*			trans	-65.6	158.6	169.8	-167	164.2	-138	0	0	110.6	W117 T121	W117-E119 PolarHBondContact O-N 3.44Å; E119-T121 PolarHBondContact O-N 3.4Å
120	V	39.4	Very low	40	Very low	127 Å²	127	111.7 Å²	111.7	77%	0.77	59%	0.594	S	S	*	*			trans	-69.3	86.3	-158	-171.9	0	0	0	0	113.3
121	T	33.5	Very low	41.5	Very low	65 Å²	65	103.3 Å²	103.3	40%	0.399	56%	0.555	S	S	.	*			trans	-67.5	136	147	64.6	0	0	0	0	108.4	E119	E119-T121 PolarHBondContact O-N 3.4Å
122	S	44.1	Very low	42.9	Very low	62 Å²	62	104.2 Å²	104.2	43%	0.434	55%	0.547	S	S	.	.			trans	-40.5	131.2	-175.7	166.7	0	0	0	0	112.3	L124 A125 S126	S122-L124 PolarHBondContact O-N 3.26Å; S122-L124 VanDerWaalsContact O-N 3.08Å; S122-L124 PolarHBondContact OG-N 3.49Å; S122-A125 WeakPolarHBondContact O-CA 3.48Å; S122-A125 WeakPolarHBondContact O-CB 3.05Å; S122-A125 PolarHBondContact O-N 3.34Å; S122-S126 PolarHBondContact O-N 3.24Å
123	P	49.3	Very low	44.5	Very low	95 Å²	95	105.1 Å²	105.1	62%	0.617	54%	0.536	S	S	*	.	H	α-helix	trans	-52.7	-34.4	-179.8	-29.9	36.1	0	0	0	113.3	R127	P123-R127 WeakPolarHBondContact O-CB 3.49Å; P123-R127 PolarHBondContact O-N 2.85Å
124	L	47.2	Very low	45.3	Very low	78 Å²	78	97.3 Å²	97.3	41%	0.408	50%	0.5	S	S	.	.	H	α-helix	trans	-66.7	-42.2	173.3	-75.7	81.2	0	0	0	112	S122 R127 I128 V187 A190	S122-L124 PolarHBondContact O-N 3.26Å; S122-L124 VanDerWaalsContact O-N 3.08Å; S122-L124 PolarHBondContact OG-N 3.49Å; L124-R127 PolarHBondContact O-N 3.38Å; L124-I128 WeakPolarHBondContact O-CB 3.43Å; L124-I128 VanDerWaalsContact O-CG1 3.23Å; L124-I128 WeakPolarHBondContact O-CG1 3.45Å; L124-I128 PolarHBondContact O-N 2.97Å; L124-V187 HydrophobicContact CB-CG1 3.86Å; L124-V187 HydrophobicContact CD2-CG1 3.95Å; L124-V187 HydrophobicContact CG-CG1 3.89Å; L124-A190 HydrophobicContact CD2-CB 3.7Å
125	A	45.5	Very low	46.8	Very low	43 Å²	43	93 Å²	93	36%	0.355	47%	0.47	S	S	.	.	H	α-helix	trans	-66.1	-43.5	179.6	0	0	0	0	0	112.3	S122 I128 R129	S122-A125 WeakPolarHBondContact O-CA 3.48Å; S122-A125 WeakPolarHBondContact O-CB 3.05Å; S122-A125 PolarHBondContact O-N 3.34Å; A125-I128 PolarHBondContact O-N 3.46Å; A125-R129 WeakPolarHBondContact O-CB 3.4Å; A125-R129 PolarHBondContact O-N 3.3Å
126	S	48.8	Very low	48.5	Very low	34 Å²	34	92.1 Å²	92.1	24%	0.238	46%	0.461	C	S	.	.	H	α-helix	trans	-64.9	-40.1	173.9	-173.9	0	0	0	0	111.6	S122 R129 T130	S122-S126 PolarHBondContact O-N 3.24Å; S126-R129 PolarHBondContact O-N 3.4Å; S126-T130 WeakPolarHBondContact O-CB 3.16Å; S126-T130 PolarHBondContact O-N 3.03Å; S126-T130 PolarHBondContact O-OG1 2.94Å
127	R	55.4	Low	49.5	Very low	103 Å²	103	86.8 Å²	86.8	39%	0.389	44%	0.437	S	S	.	.	H	α-helix	trans	-63.2	-44.8	174.2	-168.5	169.3	-174.9	134.7	6.3	112.2	P123 L124 T130 L131 D439	P123-R127 WeakPolarHBondContact O-CB 3.49Å; P123-R127 PolarHBondContact O-N 2.85Å; L124-R127 PolarHBondContact O-N 3.38Å; R127-T130 PolarHBondContact O-N 3.45Å; R127-L131 HydrophobicContact CG-CD1 3.99Å; R127-L131 HydrophobicContact CG-CG 4.42Å; R127-L131 WeakPolarHBondContact O-CB 3.12Å; R127-L131 VanDerWaalsContact O-CG 3.22Å; R127-L131 WeakPolarHBondContact O-CG 3.48Å; R127-L131 PolarHBondContact O-N 2.68Å; R127-D439 IonicContact CZ-OD1 3.16Å; R127-D439 IonicContact NH1-OD1 3.9Å; R127-D439 PolarHBondContact NH1-OD1 2.62Å; R127-D439 IonicContact NH2-OD1 2.75Å; R127-D439 PolarHBondContact NH2-OD1 3.17Å
128	I	58.1	Low	51.2	Low	19 Å²	19	79.1 Å²	79.1	10%	0.097	41%	0.409	C	S	.	.	H	α-helix	trans	-60.5	-46.3	174	-69.6	162.3	0	0	0	111	L124 A125 T130 L131 K132 V187	L124-I128 WeakPolarHBondContact O-CB 3.43Å; L124-I128 VanDerWaalsContact O-CG1 3.23Å; L124-I128 WeakPolarHBondContact O-CG1 3.45Å; L124-I128 PolarHBondContact O-N 2.97Å; A125-I128 PolarHBondContact O-N 3.46Å; I128-T130 VanDerWaalsContact C-N 3.29Å; I128-T130 PolarHBondContact O-N 2.75Å; I128-L131 PolarHBondContact O-N 2.74Å; I128-K132 HydrophobicContact CG2-CD 3.88Å; I128-K132 HydrophobicContact CG2-CG 4.31Å; I128-K132 WeakPolarHBondContact O-CB 3.08Å; I128-K132 WeakPolarHBondContact O-CG 3.47Å; I128-K132 PolarHBondContact O-N 3.05Å; I128-V187 HydrophobicContact CD1-CB 4.49Å; I128-V187 HydrophobicContact CD1-CG1 3.94Å; I128-V187 HydrophobicContact CG1-CB 4.03Å; I128-V187 HydrophobicContact CG1-CG1 3.64Å
129	R	53.8	Low	52.6	Low	136 Å²	136	74.5 Å²	74.5	51%	0.513	39%	0.391	S	S	.	.	H	α-helix	trans	-58.5	-43.7	178	-172.8	-170.3	-69.6	152.4	-3.7	110.9	A125 S126 K133	A125-R129 WeakPolarHBondContact O-CB 3.4Å; A125-R129 PolarHBondContact O-N 3.3Å; S126-R129 PolarHBondContact O-N 3.4Å; R129-K133 WeakPolarHBondContact O-CB 3.31Å; R129-K133 PolarHBondContact O-N 3.43Å
130	T	53.2	Low	54.5	Low	46 Å²	46	73.3 Å²	73.3	28%	0.282	38%	0.383	S	S	.	.	H	α-helix	trans	-68.3	-47.8	179.5	-62.3	0	0	0	0	112.2	S126 R127 I128 K132 K133 Q134	S126-T130 WeakPolarHBondContact O-CB 3.16Å; S126-T130 PolarHBondContact O-N 3.03Å; S126-T130 PolarHBondContact O-OG1 2.94Å; R127-T130 PolarHBondContact O-N 3.45Å; I128-T130 VanDerWaalsContact C-N 3.29Å; I128-T130 PolarHBondContact O-N 2.75Å; T130-K132 PolarHBondContact O-N 3.15Å; T130-K133 WeakPolarHBondContact O-CB 3.42Å; T130-K133 PolarHBondContact O-N 3.42Å; T130-Q134 WeakPolarHBondContact O-CG 3.41Å; T130-Q134 PolarHBondContact O-N 3.36Å
131	L	56.5	Low	55.9	Low	9 Å²	9	70 Å²	70	5%	0.047	36%	0.364	C	S	.	.	H	α-helix	trans	-61.2	-43.1	175.8	-70.4	167.2	0	0	0	111.9	R127 I128 K133 Q134 L135 L180 Q183 I184	R127-L131 HydrophobicContact CG-CD1 3.99Å; R127-L131 HydrophobicContact CG-CG 4.42Å; R127-L131 WeakPolarHBondContact O-CB 3.12Å; R127-L131 VanDerWaalsContact O-CG 3.22Å; R127-L131 WeakPolarHBondContact O-CG 3.48Å; R127-L131 PolarHBondContact O-N 2.68Å; I128-L131 PolarHBondContact O-N 2.74Å; L131-K133 VanDerWaalsContact C-N 3.34Å; L131-K133 PolarHBondContact O-N 3.39Å; L131-Q134 PolarHBondContact O-N 3.43Å; L131-L135 WeakPolarHBondContact O-CB 3.4Å; L131-L135 PolarHBondContact O-N 2.99Å; L131-L180 HydrophobicContact CD2-CD2 3.65Å; L131-Q183 HydrophobicContact CD1-CB 3.93Å; L131-Q183 HydrophobicContact CD2-CB 4.17Å; L131-Q183 VanDerWaalsContact CD2-OE1 3.31Å; L131-I184 HydrophobicContact CB-CD1 4.12Å; L131-I184 HydrophobicContact CB-CG1 3.58Å; L131-I184 HydrophobicContact CD1-CG1 4.39Å
132	K	58.4	Low	58.2	Low	114 Å²	114	69.6 Å²	69.6	50%	0.496	36%	0.356	S	S	.	.	H	α-helix	trans	-61.4	-41.1	174.5	-76	-179.5	177.5	-178.4	0	111.5	I128 T130 L135 T136 I184	I128-K132 HydrophobicContact CG2-CD 3.88Å; I128-K132 HydrophobicContact CG2-CG 4.31Å; I128-K132 WeakPolarHBondContact O-CB 3.08Å; I128-K132 WeakPolarHBondContact O-CG 3.47Å; I128-K132 PolarHBondContact O-N 3.05Å; T130-K132 PolarHBondContact O-N 3.15Å; K132-L135 PolarHBondContact O-N 2.67Å; K132-T136 PolarHBondContact O-N 3.44Å; K132-T136 VanDerWaalsContact O-N 3.08Å; K132-T136 PolarHBondContact O-OG1 3.4Å; K132-I184 HydrophobicContact CG-CD1 3.86Å; K132-I184 HydrophobicContact CG-CG1 4.2Å; K132-I184 HydrophobicContact CG-CG2 4.23Å
133	K	59.5	Low	59.6	Low	134 Å²	134	71.3 Å²	71.3	58%	0.583	36%	0.357	S	S	*	.	H	α-helix	trans	-64.8	-40.6	174.8	-169.3	170.8	-175.7	172.4	0	112	R129 T130 L131 T136 M137	R129-K133 WeakPolarHBondContact O-CB 3.31Å; R129-K133 PolarHBondContact O-N 3.43Å; T130-K133 WeakPolarHBondContact O-CB 3.42Å; T130-K133 PolarHBondContact O-N 3.42Å; L131-K133 VanDerWaalsContact C-N 3.34Å; L131-K133 PolarHBondContact O-N 3.39Å; K133-T136 PolarHBondContact O-N 3.36Å; K133-M137 WeakPolarHBondContact O-CG 3.28Å; K133-M137 PolarHBondContact O-N 3.02Å; K133-M137 VanDerWaalsContact O-N 3.11Å
134	Q	51.3	Low	60.5	Low	32 Å²	32	68.3 Å²	68.3	15%	0.15	34%	0.343	C	S	.	.	H	α-helix	trans	-63.4	-44.4	173.7	-71.1	165.7	-1.4	0	0	111.8	T130 L131 T136 M137 E138 L180 D442	T130-Q134 WeakPolarHBondContact O-CG 3.41Å; T130-Q134 PolarHBondContact O-N 3.36Å; L131-Q134 PolarHBondContact O-N 3.43Å; Q134-T136 VanDerWaalsContact C-N 3.32Å; Q134-T136 PolarHBondContact O-N 3.46Å; Q134-M137 HydrophobicContact CG-CE 4.2Å; Q134-M137 PolarHBondContact O-N 3.07Å; Q134-M137 VanDerWaalsContact O-N 3.17Å; Q134-E138 WeakPolarHBondContact O-CB 3.3Å; Q134-E138 PolarHBondContact O-N 3.08Å; Q134-L180 HydrophobicContact CB-CD1 4.03Å; Q134-L180 HydrophobicContact CB-CD2 4.01Å; Q134-D442 HydrophobicContact CG-CB 4.47Å; Q134-D442 PolarHBondContact NE2-OD2 2.68Å
135	L	63	Low	61.7	Low	33 Å²	33	64.6 Å²	64.6	17%	0.173	32%	0.324	C	S	.	.	H	α-helix	trans	-58.6	-41.7	176.4	178.3	61.4	0	0	0	111.9	L131 K132 E138 T139 I177 L180 R181 I184	L131-L135 WeakPolarHBondContact O-CB 3.4Å; L131-L135 PolarHBondContact O-N 2.99Å; K132-L135 PolarHBondContact O-N 2.67Å; L135-E138 PolarHBondContact O-N 2.86Å; L135-T139 WeakPolarHBondContact O-CB 3.42Å; L135-T139 PolarHBondContact O-N 3.13Å; L135-T139 PolarHBondContact O-OG1 2.71Å; L135-I177 HydrophobicContact CD1-CB 4.26Å; L135-I177 HydrophobicContact CD1-CG1 4.18Å; L135-I177 HydrophobicContact CD1-CG2 3.9Å; L135-L180 HydrophobicContact CB-CB 4.34Å; L135-L180 HydrophobicContact CD1-CB 4.31Å; L135-R181 HydrophobicContact CD1-CG 3.96Å; L135-R181 HydrophobicContact CD2-CG 3.92Å; L135-I184 HydrophobicContact CB-CD1 4.1Å; L135-I184 HydrophobicContact CD2-CD1 3.67Å
136	T	63.7	Low	63.4	Low	84 Å²	84	64.5 Å²	64.5	52%	0.515	32%	0.317	S	S	.	.	H	α-helix	trans	-66.2	-40	175.7	-58.4	0	0	0	0	112.6	K132 K133 Q134 K140	K132-T136 PolarHBondContact O-N 3.44Å; K132-T136 VanDerWaalsContact O-N 3.08Å; K132-T136 PolarHBondContact O-OG1 3.4Å; K133-T136 PolarHBondContact O-N 3.36Å; Q134-T136 VanDerWaalsContact C-N 3.32Å; Q134-T136 PolarHBondContact O-N 3.46Å; T136-K140 PolarHBondContact O-N 3.36Å
137	M	57.1	Low	64.8	Low	86 Å²	86	66.6 Å²	66.6	42%	0.424	33%	0.325	S	S	.	.	H	α-helix	trans	-65.1	-47.4	174.8	-67.2	-173.3	-47.3	0	0	111.2	K133 Q134 T139 K140 V141	K133-M137 WeakPolarHBondContact O-CG 3.28Å; K133-M137 PolarHBondContact O-N 3.02Å; K133-M137 VanDerWaalsContact O-N 3.11Å; Q134-M137 HydrophobicContact CG-CE 4.2Å; Q134-M137 PolarHBondContact O-N 3.07Å; Q134-M137 VanDerWaalsContact O-N 3.17Å; M137-T139 VanDerWaalsContact C-N 3.32Å; M137-T139 PolarHBondContact O-N 3.08Å; M137-K140 WeakPolarHBondContact O-CA 3.38Å; M137-K140 WeakPolarHBondContact O-CB 3.31Å; M137-K140 PolarHBondContact O-N 2.84Å; M137-V141 PolarHBondContact O-N 3.44Å
138	E	70.6	Confident	65.5	Low	20 Å²	20	64.5 Å²	64.5	9%	0.093	32%	0.32	C	S	.	.	H	α-helix	trans	-65.4	-36.6	-178.3	-159.9	58.3	-125.1	0	0	111.6	Q134 L135 K140 V141 K142 S173 K176 I177 L180	Q134-E138 WeakPolarHBondContact O-CB 3.3Å; Q134-E138 PolarHBondContact O-N 3.08Å; L135-E138 PolarHBondContact O-N 2.86Å; E138-K140 VanDerWaalsContact C-N 3.25Å; E138-K140 PolarHBondContact O-N 3.09Å; E138-V141 WeakPolarHBondContact O-CB 2.99Å; E138-V141 PolarHBondContact O-N 2.83Å; E138-K142 PolarHBondContact O-N 2.72Å; E138-S173 PolarHBondContact O-OG 3.27Å; E138-S173 VanDerWaalsContact O-OG 3.12Å; E138-S173 WeakPolarHBondContact OE1-CA 3.06Å; E138-S173 VanDerWaalsContact OE1-CB 3.23Å; E138-S173 WeakPolarHBondContact OE1-CB 3.14Å; E138-S173 PolarHBondContact OE1-OG 2.96Å; E138-K176 HydrophobicContact CG-CB 4.08Å; E138-K176 HydrophobicContact CG-CD 4.14Å; E138-K176 HydrophobicContact CG-CG 4.06Å; E138-K176 VanDerWaalsContact OE2-CD 3.29Å; E138-K176 WeakPolarHBondContact OE2-CD 3.36Å; E138-K176 WeakPolarHBondContact OE2-CE 3.49Å; E138-K176 IonicContact OE2-NZ 2.67Å; E138-K176 PolarHBondContact OE2-NZ 3.25Å; E138-I177 HydrophobicContact CB-CG1 4.01Å; E138-I177 HydrophobicContact CG-CD1 4.36Å; E138-I177 HydrophobicContact CG-CG1 3.8Å; E138-L180 HydrophobicContact CB-CD1 4.28Å
139	T	65.2	Low	66.5	Low	63 Å²	63	65 Å²	65	39%	0.387	32%	0.323	S	S	.	.	H	α-helix	trans	-60.7	-33.5	172.1	-56.7	0	0	0	0	112.2	L135 M137 Q143	L135-T139 WeakPolarHBondContact O-CB 3.42Å; L135-T139 PolarHBondContact O-N 3.13Å; L135-T139 PolarHBondContact O-OG1 2.71Å; M137-T139 VanDerWaalsContact C-N 3.32Å; M137-T139 PolarHBondContact O-N 3.08Å; T139-Q143 PolarHBondContact O-N 2.93Å; T139-Q143 VanDerWaalsContact O-N 3.09Å
140	K	71.3	Confident	67.7	Low	156 Å²	156	65.7 Å²	65.7	68%	0.678	33%	0.332	S	S	*	.	H	α-helix	trans	-72.2	-35.4	172.1	-68.1	179.8	178.9	-172.6	0	112.5	T136 M137 E138 Q143 G144	T136-K140 PolarHBondContact O-N 3.36Å; M137-K140 WeakPolarHBondContact O-CA 3.38Å; M137-K140 WeakPolarHBondContact O-CB 3.31Å; M137-K140 PolarHBondContact O-N 2.84Å; E138-K140 VanDerWaalsContact C-N 3.25Å; E138-K140 PolarHBondContact O-N 3.09Å; K140-Q143 PolarHBondContact O-N 2.68Å; K140-G144 PolarHBondContact O-N 3.23Å
141	V	67.7	Low	68.8	Low	59 Å²	59	67.9 Å²	67.9	36%	0.358	35%	0.345	S	S	.	.	H	α-helix	trans	-63.5	-47.8	173.2	176.5	0	0	0	0	110.7	M137 E138 Q143 G144 A145 M169	M137-V141 PolarHBondContact O-N 3.44Å; E138-V141 WeakPolarHBondContact O-CB 2.99Å; E138-V141 PolarHBondContact O-N 2.83Å; V141-Q143 PolarHBondContact O-N 3.36Å; V141-G144 PolarHBondContact O-N 2.83Å; V141-A145 PolarHBondContact O-N 3.09Å; V141-M169 HydrophobicContact CG1-CE 4.44Å
142	K	83.6	Confident	69.6	Low	55 Å²	55	70.7 Å²	70.7	24%	0.239	36%	0.356	C	S	.	.	H	α-helix	trans	-51.8	-51.1	172.1	-179.7	-167.5	173.5	-81.9	0	111.7	E138 G144 A145 E146 L170 S173 R174 I177	E138-K142 PolarHBondContact O-N 2.72Å; K142-G144 VanDerWaalsContact C-N 3.34Å; K142-G144 PolarHBondContact O-N 3.26Å; K142-A145 PolarHBondContact O-N 3.19Å; K142-E146 VanDerWaalsContact CE-OE1 3.3Å; K142-E146 WeakPolarHBondContact CE-OE1 3.24Å; K142-E146 IonicContact NZ-OE1 2.75Å; K142-E146 PolarHBondContact NZ-OE1 3.34Å; K142-E146 IonicContact NZ-OE2 2.68Å; K142-E146 PolarHBondContact NZ-OE2 3.42Å; K142-E146 PolarHBondContact O-N 2.93Å; K142-L170 HydrophobicContact CG-CD1 3.61Å; K142-S173 PolarHBondContact N-OG 3.22Å; K142-R174 HydrophobicContact CD-CG 4.35Å; K142-R174 HydrophobicContact CG-CG 4.49Å; K142-I177 HydrophobicContact CB-CD1 3.8Å; K142-I177 HydrophobicContact CD-CD1 3.74Å; K142-I177 HydrophobicContact CG-CD1 4.28Å
143	Q	72.6	Confident	69.9	Low	98 Å²	98	69 Å²	69	46%	0.458	36%	0.358	S	S	.	.	H	α-helix	trans	-63.8	-39.2	-179.9	-170.5	64.8	62.6	0	0	111.9	T139 K140 V141 E146 N147	T139-Q143 PolarHBondContact O-N 2.93Å; T139-Q143 VanDerWaalsContact O-N 3.09Å; K140-Q143 PolarHBondContact O-N 2.68Å; V141-Q143 PolarHBondContact O-N 3.36Å; Q143-E146 PolarHBondContact O-N 3.27Å; Q143-N147 PolarHBondContact NE2-OD1 3.14Å; Q143-N147 WeakPolarHBondContact O-CB 3.5Å; Q143-N147 PolarHBondContact O-N 2.9Å; Q143-N147 PolarHBondContact O-OD1 3.31Å; Q143-N147 VanDerWaalsContact O-OD1 3.11Å
144	G	69.1	Low	69.9	Low	32 Å²	32	66.9 Å²	66.9	33%	0.33	36%	0.361	S	S	.	.	H	α-helix	trans	-60.5	-42.9	173.2	0	0	0	0	0	112.5	K140 V141 K142 N147 M148	K140-G144 PolarHBondContact O-N 3.23Å; V141-G144 PolarHBondContact O-N 2.83Å; K142-G144 VanDerWaalsContact C-N 3.34Å; K142-G144 PolarHBondContact O-N 3.26Å; G144-N147 PolarHBondContact O-N 3.15Å; G144-M148 WeakPolarHBondContact O-CG 3.39Å; G144-M148 PolarHBondContact O-N 2.98Å
145	A	72.4	Confident	70	Confident	1 Å²	1	75.2 Å²	75.2	1%	0.008	39%	0.391	C	S	.	.	H	α-helix	trans	-65.4	-43.3	175.8	0	0	0	0	0	112.4	V141 K142 N147 M148 I149 M169 L170	V141-A145 PolarHBondContact O-N 3.09Å; K142-A145 PolarHBondContact O-N 3.19Å; A145-N147 PolarHBondContact O-N 2.87Å; A145-M148 PolarHBondContact O-N 3.31Å; A145-I149 VanDerWaalsContact O-CG1 3.29Å; A145-I149 WeakPolarHBondContact O-CG1 3.47Å; A145-I149 PolarHBondContact O-N 2.74Å; A145-M169 HydrophobicContact CB-CB 4.18Å; A145-L170 HydrophobicContact CB-CB 3.95Å
146	E	79.3	Confident	69.6	Low	41 Å²	41	77.6 Å²	77.6	19%	0.192	41%	0.41	C	S	.	.	H	α-helix	trans	-62.6	-41.7	175.3	-76.5	167.5	162.1	0	0	111.8	K142 Q143 I149 Q150 L170 R174	K142-E146 VanDerWaalsContact CE-OE1 3.3Å; K142-E146 WeakPolarHBondContact CE-OE1 3.24Å; K142-E146 IonicContact NZ-OE1 2.75Å; K142-E146 PolarHBondContact NZ-OE1 3.34Å; K142-E146 IonicContact NZ-OE2 2.68Å; K142-E146 PolarHBondContact NZ-OE2 3.42Å; K142-E146 PolarHBondContact O-N 2.93Å; Q143-E146 PolarHBondContact O-N 3.27Å; E146-I149 PolarHBondContact O-N 3.49Å; E146-Q150 PolarHBondContact O-N 3.47Å; E146-L170 HydrophobicContact CG-CD1 3.58Å; E146-L170 HydrophobicContact CG-CD2 3.59Å; E146-L170 HydrophobicContact CG-CG 4.23Å; E146-R174 IonicContact OE1-CZ 3.09Å; E146-R174 IonicContact OE1-NE 2.96Å; E146-R174 IonicContact OE1-NH2 2.69Å; E146-R174 PolarHBondContact OE1-NH2 3.27Å
147	N	78.4	Confident	68.9	Low	78 Å²	78	82.2 Å²	82.2	42%	0.417	42%	0.423	S	S	.	.	H	α-helix	trans	-65.1	-39.7	174.7	-66.4	5.6	0	0	0	112.2	Q143 G144 A145 Q150 T151	Q143-N147 PolarHBondContact NE2-OD1 3.14Å; Q143-N147 WeakPolarHBondContact O-CB 3.5Å; Q143-N147 PolarHBondContact O-N 2.9Å; Q143-N147 PolarHBondContact O-OD1 3.31Å; Q143-N147 VanDerWaalsContact O-OD1 3.11Å; G144-N147 PolarHBondContact O-N 3.15Å; A145-N147 PolarHBondContact O-N 2.87Å; N147-Q150 PolarHBondContact O-N 2.7Å; N147-T151 WeakPolarHBondContact O-CB 3.32Å; N147-T151 PolarHBondContact O-N 3.43Å; N147-T151 PolarHBondContact O-OG1 3.02Å
148	M	70.3	Confident	68.7	Low	59 Å²	59	87 Å²	87	29%	0.291	44%	0.442	S	S	.	.	H	α-helix	trans	-63.9	-44.3	174.9	-77.8	-167.6	-62.2	0	0	111.7	G144 A145 Q150 T151 Y152 A166 M169	G144-M148 WeakPolarHBondContact O-CG 3.39Å; G144-M148 PolarHBondContact O-N 2.98Å; A145-M148 PolarHBondContact O-N 3.31Å; M148-Q150 PolarHBondContact O-N 2.84Å; M148-T151 WeakPolarHBondContact O-CB 3.11Å; M148-T151 PolarHBondContact O-N 2.94Å; M148-Y152 HydrophobicContact CB-CD2 4.38Å; M148-Y152 HydrophobicContact CB-CE2 4.42Å; M148-Y152 WeakPolarHBondContact O-CD2 3.32Å; M148-Y152 PolarHBondContact O-N 3.33Å; M148-A166 HydrophobicContact CB-CB 3.8Å; M148-A166 HydrophobicContact CE-CB 4.03Å; M148-M169 HydrophobicContact CE-CE 4.23Å; M148-M169 HydrophobicContact CE-SD 4Å
149	I	80.5	Confident	68	Low	29 Å²	29	88.2 Å²	88.2	15%	0.149	45%	0.449	C	S	.	.	H	α-helix	trans	-58.7	-49.2	175.5	-70	165	0	0	0	110.1	A145 E146 T151 Y152 S153 L163 A166 Q167 L170	A145-I149 VanDerWaalsContact O-CG1 3.29Å; A145-I149 WeakPolarHBondContact O-CG1 3.47Å; A145-I149 PolarHBondContact O-N 2.74Å; E146-I149 PolarHBondContact O-N 3.49Å; I149-T151 PolarHBondContact O-N 3.27Å; I149-Y152 PolarHBondContact O-N 2.94Å; I149-S153 VanDerWaalsContact O-CB 3.27Å; I149-S153 WeakPolarHBondContact O-CB 3.34Å; I149-S153 PolarHBondContact O-N 3.01Å; I149-S153 PolarHBondContact O-OG 2.87Å; I149-L163 HydrophobicContact CB-CD1 4.3Å; I149-L163 HydrophobicContact CG1-CD1 4.33Å; I149-L163 HydrophobicContact CG2-CD1 3.99Å; I149-A166 HydrophobicContact CG1-CB 3.71Å; I149-Q167 HydrophobicContact CD1-CG 3.93Å; I149-Q167 HydrophobicContact CG1-CG 4.1Å; I149-L170 HydrophobicContact CD1-CB 4.1Å; I149-L170 HydrophobicContact CD1-CD2 3.46Å; I149-L170 VanDerWaalsContact CD1-CD2 3.46Å; I149-L170 HydrophobicContact CD1-CG 4.43Å
150	Q	78.7	Confident	68	Low	151 Å²	151	93.7 Å²	93.7	71%	0.706	46%	0.462	S	S	*	.	H	α-helix	trans	-59.7	-36.5	179.2	-168.9	176.1	12.2	0	0	112.2	E146 N147 M148	E146-Q150 PolarHBondContact O-N 3.47Å; N147-Q150 PolarHBondContact O-N 2.7Å; M148-Q150 PolarHBondContact O-N 2.84Å
151	T	75.3	Confident	67.8	Low	91 Å²	91	94.4 Å²	94.4	56%	0.558	47%	0.465	S	S	*	.	H	α-helix	trans	-67.2	-49.4	175.8	-56.1	0	0	0	0	111.8	N147 M148 I149 S154	N147-T151 WeakPolarHBondContact O-CB 3.32Å; N147-T151 PolarHBondContact O-N 3.43Å; N147-T151 PolarHBondContact O-OG1 3.02Å; M148-T151 WeakPolarHBondContact O-CB 3.11Å; M148-T151 PolarHBondContact O-N 2.94Å; I149-T151 PolarHBondContact O-N 3.27Å; T151-S154 PolarHBondContact O-OG 2.93Å
152	Y	73.6	Confident	67.8	Low	68 Å²	68	95.7 Å²	95.7	27%	0.267	47%	0.468	S	S	.	.	H	α-helix	trans	-84.6	-13.6	-174.7	-65	-60.4	0	0	0	114.8	M148 I149 S154 D159 M162	M148-Y152 HydrophobicContact CB-CD2 4.38Å; M148-Y152 HydrophobicContact CB-CE2 4.42Å; M148-Y152 WeakPolarHBondContact O-CD2 3.32Å; M148-Y152 PolarHBondContact O-N 3.33Å; I149-Y152 PolarHBondContact O-N 2.94Å; Y152-S154 PolarHBondContact O-N 3.37Å; Y152-S154 VanDerWaalsContact O-N 3.09Å; Y152-D159 HydrophobicContact CD1-CB 3.78Å; Y152-D159 HydrophobicContact CG-CB 4.44Å; Y152-M162 HydrophobicContact CD1-CB 4.5Å; Y152-M162 HydrophobicContact CD2-CB 3.99Å; Y152-M162 HydrophobicContact CE1-CB 4.42Å; Y152-M162 HydrophobicContact CE2-CB 3.91Å; Y152-M162 HydrophobicContact CG-CB 4.3Å
153	S	65.1	Low	67.3	Low	79 Å²	79	94.6 Å²	94.6	55%	0.552	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.7	-9	177.4	-65.4	0	0	0	0	114.4	I149	I149-S153 VanDerWaalsContact O-CB 3.27Å; I149-S153 WeakPolarHBondContact O-CB 3.34Å; I149-S153 PolarHBondContact O-N 3.01Å; I149-S153 PolarHBondContact O-OG 2.87Å
154	S	58.8	Low	67	Low	90 Å²	90	92.3 Å²	92.3	63%	0.629	46%	0.463	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.8	1.4	-170.3	65.1	0	0	0	0	115.3	T151 Y152	T151-S154 PolarHBondContact O-OG 2.93Å; Y152-S154 PolarHBondContact O-N 3.37Å; Y152-S154 VanDerWaalsContact O-N 3.09Å
155	R	54.5	Low	66.7	Low	207 Å²	207	94 Å²	94	78%	0.781	47%	0.467	S	S	*	.	S	Bend	trans	-139.6	-177.9	-170.3	-72.5	-167.6	172.1	-177.2	-1.7	114.8
156	S	53.6	Low	66.6	Low	82 Å²	82	94 Å²	94	57%	0.573	47%	0.467	S	S	*	.			trans	-54	160.3	-155.8	-170.7	0	0	0	0	117.1	K158 D159	S156-K158 PolarHBondContact O-N 3.39Å; S156-D159 WeakPolarHBondContact O-CB 3.31Å; S156-D159 PolarHBondContact O-N 2.87Å
157	F	50.2	Low	65.9	Low	182 Å²	182	97.2 Å²	97.2	80%	0.798	48%	0.482	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.1	-24.5	177.9	-111.5	-94.4	0	0	0	115.8	D159	F157-D159 VanDerWaalsContact C-N 3.31Å
158	K	52.2	Low	65.1	Low	186 Å²	186	98.7 Å²	98.7	81%	0.809	49%	0.486	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.5	-28.3	176	-70	-174.4	175.8	-177.9	0	113	S156 R160	S156-K158 PolarHBondContact O-N 3.39Å; K158-R160 VanDerWaalsContact C-N 3.35Å
159	D	55.2	Low	64.5	Low	45 Å²	45	99.5 Å²	99.5	24%	0.241	49%	0.491	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.2	-11	-172.5	-58.3	-37.6	0	0	0	112.8	Y152 S156 F157 K161 M162 L163	Y152-D159 HydrophobicContact CD1-CB 3.78Å; Y152-D159 HydrophobicContact CG-CB 4.44Å; S156-D159 WeakPolarHBondContact O-CB 3.31Å; S156-D159 PolarHBondContact O-N 2.87Å; F157-D159 VanDerWaalsContact C-N 3.31Å; D159-K161 PolarHBondContact O-N 2.82Å; D159-K161 VanDerWaalsContact O-N 3.08Å; D159-M162 WeakPolarHBondContact O-CA 3.41Å; D159-M162 WeakPolarHBondContact O-CB 3.41Å; D159-M162 PolarHBondContact O-N 2.83Å; D159-L163 PolarHBondContact O-N 3.49Å
160	R	65.9	Low	64	Low	179 Å²	179	98.9 Å²	98.9	68%	0.675	49%	0.488	S	S	*	.	H	α-helix	trans	-56.4	-29.4	-178.4	-168.9	173.3	-178	171.6	0.4	113.6	K158 A164	K158-R160 VanDerWaalsContact C-N 3.35Å; R160-A164 WeakPolarHBondContact O-CB 3.45Å; R160-A164 PolarHBondContact O-N 3.23Å; R160-A164 VanDerWaalsContact O-N 3.11Å
161	K	66.7	Low	62.7	Low	170 Å²	170	97 Å²	97	74%	0.739	48%	0.479	S	S	*	.	H	α-helix	trans	-73	-39.6	173.7	-170.2	177.1	-179.5	-178.1	0	112.3	D159 A164 T165	D159-K161 PolarHBondContact O-N 2.82Å; D159-K161 VanDerWaalsContact O-N 3.08Å; K161-A164 PolarHBondContact O-N 2.91Å; K161-T165 PolarHBondContact O-N 3.36Å; K161-T165 PolarHBondContact O-OG1 3.1Å; K161-T165 VanDerWaalsContact O-OG1 3.07Å
162	M	68.6	Low	61.6	Low	86 Å²	86	96.7 Å²	96.7	42%	0.424	47%	0.473	S	S	.	.	H	α-helix	trans	-67.9	-39.3	175.8	-64	-59.1	-65.8	0	0	111.2	Y152 D159 T165 A166	Y152-M162 HydrophobicContact CD1-CB 4.5Å; Y152-M162 HydrophobicContact CD2-CB 3.99Å; Y152-M162 HydrophobicContact CE1-CB 4.42Å; Y152-M162 HydrophobicContact CE2-CB 3.91Å; Y152-M162 HydrophobicContact CG-CB 4.3Å; D159-M162 WeakPolarHBondContact O-CA 3.41Å; D159-M162 WeakPolarHBondContact O-CB 3.41Å; D159-M162 PolarHBondContact O-N 2.83Å; M162-T165 PolarHBondContact O-N 3.25Å; M162-A166 WeakPolarHBondContact O-CB 3.49Å; M162-A166 PolarHBondContact O-N 2.66Å
163	L	72.9	Confident	60.9	Low	32 Å²	32	93.5 Å²	93.5	17%	0.168	46%	0.461	C	S	.	.	H	α-helix	trans	-59.2	-46.5	173	-175.8	62.9	0	0	0	111.6	I149 D159 A166 Q167	I149-L163 HydrophobicContact CB-CD1 4.3Å; I149-L163 HydrophobicContact CG1-CD1 4.33Å; I149-L163 HydrophobicContact CG2-CD1 3.99Å; D159-L163 PolarHBondContact O-N 3.49Å; L163-A166 PolarHBondContact O-N 3.36Å; L163-Q167 WeakPolarHBondContact O-CB 3.2Å; L163-Q167 VanDerWaalsContact O-CG 3.29Å; L163-Q167 WeakPolarHBondContact O-CG 3.45Å; L163-Q167 PolarHBondContact O-N 2.98Å
164	A	65.1	Low	60.4	Low	51 Å²	51	95 Å²	95	42%	0.421	46%	0.455	S	S	.	.	H	α-helix	trans	-62.5	-43.7	176.2	0	0	0	0	0	112.6	R160 K161 A166 Q167 Q168	R160-A164 WeakPolarHBondContact O-CB 3.45Å; R160-A164 PolarHBondContact O-N 3.23Å; R160-A164 VanDerWaalsContact O-N 3.11Å; K161-A164 PolarHBondContact O-N 2.91Å; A164-A166 VanDerWaalsContact C-N 3.34Å; A164-A166 PolarHBondContact O-N 3.06Å; A164-Q167 PolarHBondContact O-N 3.34Å; A164-Q168 PolarHBondContact O-N 3.48Å
165	T	63.9	Low	59.8	Low	68 Å²	68	93.3 Å²	93.3	42%	0.417	44%	0.441	S	S	.	.	H	α-helix	trans	-60.5	-43	174.4	-55.3	0	0	0	0	111.6	K161 M162 Q168 M169	K161-T165 PolarHBondContact O-N 3.36Å; K161-T165 PolarHBondContact O-OG1 3.1Å; K161-T165 VanDerWaalsContact O-OG1 3.07Å; M162-T165 PolarHBondContact O-N 3.25Å; T165-Q168 PolarHBondContact O-N 3.13Å; T165-M169 HydrophobicContact CG2-SD 4.2Å; T165-M169 WeakPolarHBondContact O-CG 3.25Å; T165-M169 PolarHBondContact O-N 3.04Å
166	A	70.5	Confident	59.6	Low	1 Å²	1	88 Å²	88	1%	0.008	42%	0.423	C	S	.	.	H	α-helix	trans	-68	-36.3	178.7	0	0	0	0	0	112.4	M148 I149 M162 L163 A164 L170	M148-A166 HydrophobicContact CB-CB 3.8Å; M148-A166 HydrophobicContact CE-CB 4.03Å; I149-A166 HydrophobicContact CG1-CB 3.71Å; M162-A166 WeakPolarHBondContact O-CB 3.49Å; M162-A166 PolarHBondContact O-N 2.66Å; L163-A166 PolarHBondContact O-N 3.36Å; A164-A166 VanDerWaalsContact C-N 3.34Å; A164-A166 PolarHBondContact O-N 3.06Å; A166-L170 WeakPolarHBondContact O-CB 3.44Å; A166-L170 PolarHBondContact O-N 2.9Å
167	Q	64.2	Low	59.7	Low	108 Å²	108	84.6 Å²	84.6	51%	0.505	40%	0.399	S	S	.	.	H	α-helix	trans	-63.6	-42.4	172.2	-74.8	171.2	-29.6	0	0	112.1	I149 L163 A164 L170 Q171	I149-Q167 HydrophobicContact CD1-CG 3.93Å; I149-Q167 HydrophobicContact CG1-CG 4.1Å; L163-Q167 WeakPolarHBondContact O-CB 3.2Å; L163-Q167 VanDerWaalsContact O-CG 3.29Å; L163-Q167 WeakPolarHBondContact O-CG 3.45Å; L163-Q167 PolarHBondContact O-N 2.98Å; A164-Q167 PolarHBondContact O-N 3.34Å; Q167-L170 PolarHBondContact O-N 3.3Å; Q167-Q171 PolarHBondContact O-N 3.28Å; Q167-Q171 VanDerWaalsContact O-N 3.14Å
168	Q	62	Low	59.5	Low	108 Å²	108	82.2 Å²	82.2	51%	0.505	39%	0.39	S	S	.	.	H	α-helix	trans	-62.4	-52.7	174.8	-176.2	59.5	47.5	0	0	111.3	A164 T165 L170 Q171 D172	A164-Q168 PolarHBondContact O-N 3.48Å; T165-Q168 PolarHBondContact O-N 3.13Å; Q168-L170 PolarHBondContact O-N 2.88Å; Q168-Q171 PolarHBondContact O-N 3.42Å; Q168-D172 WeakPolarHBondContact CG-OD2 3.24Å; Q168-D172 PolarHBondContact NE2-OD1 3.01Å; Q168-D172 PolarHBondContact NE2-OD2 3.3Å; Q168-D172 PolarHBondContact O-N 3.1Å
169	M	58	Low	59.2	Low	77 Å²	77	76.2 Å²	76.2	38%	0.379	37%	0.366	S	S	.	.	H	α-helix	trans	-55.1	-36.7	176.9	-72.5	177	68.1	0	0	112.5	V141 A145 M148 T165 S173	V141-M169 HydrophobicContact CG1-CE 4.44Å; A145-M169 HydrophobicContact CB-CB 4.18Å; M148-M169 HydrophobicContact CE-CE 4.23Å; M148-M169 HydrophobicContact CE-SD 4Å; T165-M169 HydrophobicContact CG2-SD 4.2Å; T165-M169 WeakPolarHBondContact O-CG 3.25Å; T165-M169 PolarHBondContact O-N 3.04Å; M169-S173 WeakPolarHBondContact O-CB 3.47Å; M169-S173 PolarHBondContact O-N 2.88Å
170	L	68.7	Low	58.9	Low	16 Å²	16	74.5 Å²	74.5	8%	0.084	36%	0.357	C	S	.	.	H	α-helix	trans	-66.4	-42.7	176.3	179.8	53.4	0	0	0	112.5	K142 A145 E146 I149 A166 Q167 Q168 R174	K142-L170 HydrophobicContact CG-CD1 3.61Å; A145-L170 HydrophobicContact CB-CB 3.95Å; E146-L170 HydrophobicContact CG-CD1 3.58Å; E146-L170 HydrophobicContact CG-CD2 3.59Å; E146-L170 HydrophobicContact CG-CG 4.23Å; I149-L170 HydrophobicContact CD1-CB 4.1Å; I149-L170 HydrophobicContact CD1-CD2 3.46Å; I149-L170 VanDerWaalsContact CD1-CD2 3.46Å; I149-L170 HydrophobicContact CD1-CG 4.43Å; A166-L170 WeakPolarHBondContact O-CB 3.44Å; A166-L170 PolarHBondContact O-N 2.9Å; Q167-L170 PolarHBondContact O-N 3.3Å; Q168-L170 PolarHBondContact O-N 2.88Å; L170-R174 HydrophobicContact CD1-CG 4.09Å; L170-R174 VanDerWaalsContact CD1-NE 3.3Å; L170-R174 WeakPolarHBondContact O-CB 3.21Å; L170-R174 WeakPolarHBondContact O-CD 3.39Å; L170-R174 WeakPolarHBondContact O-CG 3.42Å; L170-R174 PolarHBondContact O-N 2.82Å
171	Q	52.7	Low	58.1	Low	112 Å²	112	72.5 Å²	72.5	52%	0.523	35%	0.35	S	S	.	.	H	α-helix	trans	-68	-42.3	-180	-173.2	61.7	13.2	0	0	111.9	Q167 Q168 T175	Q167-Q171 PolarHBondContact O-N 3.28Å; Q167-Q171 VanDerWaalsContact O-N 3.14Å; Q168-Q171 PolarHBondContact O-N 3.42Å; Q171-T175 PolarHBondContact O-N 3.1Å; Q171-T175 VanDerWaalsContact O-N 3.13Å; Q171-T175 PolarHBondContact O-OG1 2.71Å
172	D	51.1	Low	57.2	Low	83 Å²	83	68.3 Å²	68.3	44%	0.444	33%	0.334	S	S	.	.	H	α-helix	trans	-65.1	-45.7	176.8	-62.8	-33.5	0	0	0	111	Q168 R174 T175 K176	Q168-D172 WeakPolarHBondContact CG-OD2 3.24Å; Q168-D172 PolarHBondContact NE2-OD1 3.01Å; Q168-D172 PolarHBondContact NE2-OD2 3.3Å; Q168-D172 PolarHBondContact O-N 3.1Å; D172-R174 PolarHBondContact O-N 3.07Å; D172-T175 PolarHBondContact O-N 2.89Å; D172-K176 WeakPolarHBondContact O-CB 3.44Å; D172-K176 PolarHBondContact O-N 2.62Å
173	S	58.3	Low	56.1	Low	1 Å²	1	67.5 Å²	67.5	1%	0.007	33%	0.329	C	S	.	.	H	α-helix	trans	-64.6	-40.7	179.8	-167.5	0	0	0	0	112.4	E138 K142 M169 K176 I177	E138-S173 PolarHBondContact O-OG 3.27Å; E138-S173 VanDerWaalsContact O-OG 3.12Å; E138-S173 WeakPolarHBondContact OE1-CA 3.06Å; E138-S173 VanDerWaalsContact OE1-CB 3.23Å; E138-S173 WeakPolarHBondContact OE1-CB 3.14Å; E138-S173 PolarHBondContact OE1-OG 2.96Å; K142-S173 PolarHBondContact N-OG 3.22Å; M169-S173 WeakPolarHBondContact O-CB 3.47Å; M169-S173 PolarHBondContact O-N 2.88Å; S173-K176 PolarHBondContact O-N 3.18Å; S173-I177 WeakPolarHBondContact O-CB 3.45Å; S173-I177 WeakPolarHBondContact O-CD1 3.34Å; S173-I177 VanDerWaalsContact O-CG1 3.28Å; S173-I177 WeakPolarHBondContact O-CG1 3.43Å; S173-I177 PolarHBondContact O-N 3.05Å
174	R	56.2	Low	55.4	Low	110 Å²	110	67.1 Å²	67.1	42%	0.415	33%	0.327	S	S	.	.	H	α-helix	trans	-59.1	-48.2	172.6	-76.7	168.9	178.6	-164.2	-2.9	111.8	K142 E146 L170 D172 K176 I177 E178	K142-R174 HydrophobicContact CD-CG 4.35Å; K142-R174 HydrophobicContact CG-CG 4.49Å; E146-R174 IonicContact OE1-CZ 3.09Å; E146-R174 IonicContact OE1-NE 2.96Å; E146-R174 IonicContact OE1-NH2 2.69Å; E146-R174 PolarHBondContact OE1-NH2 3.27Å; L170-R174 HydrophobicContact CD1-CG 4.09Å; L170-R174 VanDerWaalsContact CD1-NE 3.3Å; L170-R174 WeakPolarHBondContact O-CB 3.21Å; L170-R174 WeakPolarHBondContact O-CD 3.39Å; L170-R174 WeakPolarHBondContact O-CG 3.42Å; L170-R174 PolarHBondContact O-N 2.82Å; D172-R174 PolarHBondContact O-N 3.07Å; R174-K176 VanDerWaalsContact C-N 3.3Å; R174-K176 PolarHBondContact O-N 3.1Å; R174-I177 WeakPolarHBondContact O-CB 3.32Å; R174-I177 PolarHBondContact O-N 2.9Å; R174-E178 PolarHBondContact O-N 3.05Å
175	T	45.7	Very low	54.7	Low	55 Å²	55	68.6 Å²	68.6	34%	0.337	33%	0.33	S	S	.	.	H	α-helix	trans	-60.6	-40.1	178.5	-53.5	0	0	0	0	111.7	Q171 D172 E178 L179	Q171-T175 PolarHBondContact O-N 3.1Å; Q171-T175 VanDerWaalsContact O-N 3.13Å; Q171-T175 PolarHBondContact O-OG1 2.71Å; D172-T175 PolarHBondContact O-N 2.89Å; T175-E178 WeakPolarHBondContact O-CB 3.35Å; T175-E178 PolarHBondContact O-N 3.34Å; T175-L179 WeakPolarHBondContact O-CG 3.37Å; T175-L179 PolarHBondContact O-N 3.31Å
176	K	50.3	Low	54.1	Low	95 Å²	95	71.8 Å²	71.8	41%	0.413	34%	0.338	S	S	.	.	H	α-helix	trans	-71.8	-35.4	178.7	-170.1	169.7	166.9	-155.1	0	112.8	E138 D172 S173 R174 L179 L180	E138-K176 HydrophobicContact CG-CB 4.08Å; E138-K176 HydrophobicContact CG-CD 4.14Å; E138-K176 HydrophobicContact CG-CG 4.06Å; E138-K176 VanDerWaalsContact OE2-CD 3.29Å; E138-K176 WeakPolarHBondContact OE2-CD 3.36Å; E138-K176 WeakPolarHBondContact OE2-CE 3.49Å; E138-K176 IonicContact OE2-NZ 2.67Å; E138-K176 PolarHBondContact OE2-NZ 3.25Å; D172-K176 WeakPolarHBondContact O-CB 3.44Å; D172-K176 PolarHBondContact O-N 2.62Å; S173-K176 PolarHBondContact O-N 3.18Å; R174-K176 VanDerWaalsContact C-N 3.3Å; R174-K176 PolarHBondContact O-N 3.1Å; K176-L179 PolarHBondContact O-N 3.18Å; K176-L180 HydrophobicContact CG-CD1 4.18Å; K176-L180 WeakPolarHBondContact O-CB 3.24Å; K176-L180 VanDerWaalsContact O-CG 3.25Å; K176-L180 WeakPolarHBondContact O-CG 3.34Å; K176-L180 PolarHBondContact O-N 3.4Å
177	I	55.4	Low	53.2	Low	12 Å²	12	73 Å²	73	6%	0.062	35%	0.345	C	S	.	.	H	α-helix	trans	-60.8	-43.1	170.7	-76.5	162.9	0	0	0	111.3	L135 E138 K142 S173 R174 R181	L135-I177 HydrophobicContact CD1-CB 4.26Å; L135-I177 HydrophobicContact CD1-CG1 4.18Å; L135-I177 HydrophobicContact CD1-CG2 3.9Å; E138-I177 HydrophobicContact CB-CG1 4.01Å; E138-I177 HydrophobicContact CG-CD1 4.36Å; E138-I177 HydrophobicContact CG-CG1 3.8Å; K142-I177 HydrophobicContact CB-CD1 3.8Å; K142-I177 HydrophobicContact CD-CD1 3.74Å; K142-I177 HydrophobicContact CG-CD1 4.28Å; S173-I177 WeakPolarHBondContact O-CB 3.45Å; S173-I177 WeakPolarHBondContact O-CD1 3.34Å; S173-I177 VanDerWaalsContact O-CG1 3.28Å; S173-I177 WeakPolarHBondContact O-CG1 3.43Å; S173-I177 PolarHBondContact O-N 3.05Å; R174-I177 WeakPolarHBondContact O-CB 3.32Å; R174-I177 PolarHBondContact O-N 2.9Å; I177-R181 WeakPolarHBondContact O-CB 3.3Å; I177-R181 VanDerWaalsContact O-CG 3.24Å; I177-R181 WeakPolarHBondContact O-CG 3.32Å; I177-R181 PolarHBondContact O-N 3.47Å
178	E	45.6	Very low	52.3	Low	131 Å²	131	68.8 Å²	68.8	61%	0.612	33%	0.332	S	S	*	.	H	α-helix	trans	-58.9	-49.8	176.2	-153.4	80.8	-102	0	0	111.5	R174 T175 R181 M182	R174-E178 PolarHBondContact O-N 3.05Å; T175-E178 WeakPolarHBondContact O-CB 3.35Å; T175-E178 PolarHBondContact O-N 3.34Å; E178-R181 PolarHBondContact O-N 3.43Å; E178-M182 PolarHBondContact O-N 2.93Å
179	L	45.9	Very low	51.4	Low	60 Å²	60	70.3 Å²	70.3	31%	0.314	34%	0.339	S	S	.	.	H	α-helix	trans	-63.8	-44.4	179.8	-69.1	171.9	0	0	0	112.3	T175 K176 R181 M182 Q183	T175-L179 WeakPolarHBondContact O-CG 3.37Å; T175-L179 PolarHBondContact O-N 3.31Å; K176-L179 PolarHBondContact O-N 3.18Å; L179-R181 VanDerWaalsContact C-N 3.35Å; L179-R181 PolarHBondContact O-N 3.42Å; L179-M182 HydrophobicContact CD2-CE 3.88Å; L179-M182 PolarHBondContact O-N 2.75Å; L179-Q183 WeakPolarHBondContact O-CB 3.5Å; L179-Q183 WeakPolarHBondContact O-CG 3.28Å; L179-Q183 PolarHBondContact O-N 3.48Å
180	L	48.8	Very low	50.9	Low	10 Å²	10	70 Å²	70	5%	0.052	35%	0.349	C	S	.	.	H	α-helix	trans	-63.6	-39.6	177.1	-72.1	168.6	0	0	0	111.5	L131 Q134 L135 E138 K176 Q183 I184	L131-L180 HydrophobicContact CD2-CD2 3.65Å; Q134-L180 HydrophobicContact CB-CD1 4.03Å; Q134-L180 HydrophobicContact CB-CD2 4.01Å; L135-L180 HydrophobicContact CB-CB 4.34Å; L135-L180 HydrophobicContact CD1-CB 4.31Å; E138-L180 HydrophobicContact CB-CD1 4.28Å; K176-L180 HydrophobicContact CG-CD1 4.18Å; K176-L180 WeakPolarHBondContact O-CB 3.24Å; K176-L180 VanDerWaalsContact O-CG 3.25Å; K176-L180 WeakPolarHBondContact O-CG 3.34Å; K176-L180 PolarHBondContact O-N 3.4Å; L180-Q183 PolarHBondContact O-N 2.93Å; L180-I184 WeakPolarHBondContact O-CD1 3.35Å; L180-I184 WeakPolarHBondContact O-CG1 3.46Å; L180-I184 PolarHBondContact O-N 2.82Å
181	R	49.9	Very low	49.6	Very low	136 Å²	136	77.9 Å²	77.9	51%	0.513	38%	0.377	S	S	.	.	H	α-helix	trans	-62.4	-49.3	173.2	-75.5	169.1	173.3	-164.9	-4	111.7	L135 I177 E178 L179 Q183 I184 V185	L135-R181 HydrophobicContact CD1-CG 3.96Å; L135-R181 HydrophobicContact CD2-CG 3.92Å; I177-R181 WeakPolarHBondContact O-CB 3.3Å; I177-R181 VanDerWaalsContact O-CG 3.24Å; I177-R181 WeakPolarHBondContact O-CG 3.32Å; I177-R181 PolarHBondContact O-N 3.47Å; E178-R181 PolarHBondContact O-N 3.43Å; L179-R181 VanDerWaalsContact C-N 3.35Å; L179-R181 PolarHBondContact O-N 3.42Å; R181-Q183 VanDerWaalsContact C-N 3.29Å; R181-Q183 PolarHBondContact O-N 3.29Å; R181-I184 PolarHBondContact O-N 3.49Å; R181-V185 WeakPolarHBondContact O-CG2 3.29Å; R181-V185 PolarHBondContact O-N 3.24Å
182	M	46.4	Very low	49	Very low	83 Å²	83	78.9 Å²	78.9	41%	0.409	38%	0.382	S	S	.	.	H	α-helix	trans	-58	-41.1	176.8	179.7	-174.8	57.7	0	0	111.8	E178 L179 V185 K186	E178-M182 PolarHBondContact O-N 2.93Å; L179-M182 HydrophobicContact CD2-CE 3.88Å; L179-M182 PolarHBondContact O-N 2.75Å; M182-V185 PolarHBondContact O-N 3.44Å; M182-K186 HydrophobicContact CG-CD 3.99Å; M182-K186 HydrophobicContact CG-CG 4.47Å; M182-K186 WeakPolarHBondContact O-CB 3.44Å; M182-K186 WeakPolarHBondContact O-CG 3.04Å; M182-K186 PolarHBondContact O-N 2.96Å; M182-K186 PolarHBondContact SD-NZ 2.93Å
183	Q	47.1	Very low	48.4	Very low	69 Å²	69	81.6 Å²	81.6	32%	0.322	39%	0.392	S	S	.	.	H	α-helix	trans	-67.7	-40.2	176.7	-73.4	175.4	-21.1	0	0	112.2	L131 L179 L180 R181 V185 K186 V187	L131-Q183 HydrophobicContact CD1-CB 3.93Å; L131-Q183 HydrophobicContact CD2-CB 4.17Å; L131-Q183 VanDerWaalsContact CD2-OE1 3.31Å; L179-Q183 WeakPolarHBondContact O-CB 3.5Å; L179-Q183 WeakPolarHBondContact O-CG 3.28Å; L179-Q183 PolarHBondContact O-N 3.48Å; L180-Q183 PolarHBondContact O-N 2.93Å; R181-Q183 VanDerWaalsContact C-N 3.29Å; R181-Q183 PolarHBondContact O-N 3.29Å; Q183-V185 VanDerWaalsContact C-N 3.33Å; Q183-V185 PolarHBondContact O-N 3.33Å; Q183-K186 PolarHBondContact O-N 3.18Å; Q183-V187 VanDerWaalsContact O-CG2 3.3Å; Q183-V187 WeakPolarHBondContact O-CG2 3.26Å; Q183-V187 PolarHBondContact O-N 2.85Å
184	I	58	Low	47.5	Very low	24 Å²	24	85.9 Å²	85.9	12%	0.123	44%	0.436	C	S	.	.	H	α-helix	trans	-63.7	-39.2	175.1	-68.4	158.7	0	0	0	111.2	L131 K132 L135 L180 R181 G188	L131-I184 HydrophobicContact CB-CD1 4.12Å; L131-I184 HydrophobicContact CB-CG1 3.58Å; L131-I184 HydrophobicContact CD1-CG1 4.39Å; K132-I184 HydrophobicContact CG-CD1 3.86Å; K132-I184 HydrophobicContact CG-CG1 4.2Å; K132-I184 HydrophobicContact CG-CG2 4.23Å; L135-I184 HydrophobicContact CB-CD1 4.1Å; L135-I184 HydrophobicContact CD2-CD1 3.67Å; L180-I184 WeakPolarHBondContact O-CD1 3.35Å; L180-I184 WeakPolarHBondContact O-CG1 3.46Å; L180-I184 PolarHBondContact O-N 2.82Å; R181-I184 PolarHBondContact O-N 3.49Å; I184-G188 WeakPolarHBondContact O-CA 3.14Å; I184-G188 PolarHBondContact O-N 3.02Å
185	V	49.6	Very low	46.4	Very low	81 Å²	81	84 Å²	84	49%	0.491	44%	0.444	S	S	.	.	H	α-helix	trans	-66.2	-51.7	175.4	172.4	0	0	0	0	110.5	R181 M182 Q183 V187 G188 Q189	R181-V185 WeakPolarHBondContact O-CG2 3.29Å; R181-V185 PolarHBondContact O-N 3.24Å; M182-V185 PolarHBondContact O-N 3.44Å; Q183-V185 VanDerWaalsContact C-N 3.33Å; Q183-V185 PolarHBondContact O-N 3.33Å; V185-V187 VanDerWaalsContact C-N 3.29Å; V185-V187 PolarHBondContact O-N 3.5Å; V185-G188 CarbonylContact O-C 3.54Å; V185-G188 WeakPolarHBondContact O-CA 3.27Å; V185-G188 PolarHBondContact O-N 3.11Å; V185-Q189 HydrophobicContact CG1-CG 4.28Å; V185-Q189 WeakPolarHBondContact O-CG 3.36Å; V185-Q189 PolarHBondContact O-N 3.43Å
186	K	50.7	Low	46.2	Very low	135 Å²	135	86.9 Å²	86.9	59%	0.587	47%	0.466	S	S	*	.	H	α-helix	trans	-61.2	-31.8	-178.9	-75.1	178.5	174.6	-179.7	0	114.3	M182 Q183	M182-K186 HydrophobicContact CG-CD 3.99Å; M182-K186 HydrophobicContact CG-CG 4.47Å; M182-K186 WeakPolarHBondContact O-CB 3.44Å; M182-K186 WeakPolarHBondContact O-CG 3.04Å; M182-K186 PolarHBondContact O-N 2.96Å; M182-K186 PolarHBondContact SD-NZ 2.93Å; Q183-K186 PolarHBondContact O-N 3.18Å
187	V	51.6	Low	45.2	Very low	26 Å²	26	89.8 Å²	89.8	16%	0.158	49%	0.486	C	S	.	.	H	α-helix	trans	-88.7	-21.9	175	-171.7	0	0	0	0	111.4	L124 I128 Q183 V185	L124-V187 HydrophobicContact CB-CG1 3.86Å; L124-V187 HydrophobicContact CD2-CG1 3.95Å; L124-V187 HydrophobicContact CG-CG1 3.89Å; I128-V187 HydrophobicContact CD1-CB 4.49Å; I128-V187 HydrophobicContact CD1-CG1 3.94Å; I128-V187 HydrophobicContact CG1-CB 4.03Å; I128-V187 HydrophobicContact CG1-CG1 3.64Å; Q183-V187 VanDerWaalsContact O-CG2 3.3Å; Q183-V187 WeakPolarHBondContact O-CG2 3.26Å; Q183-V187 PolarHBondContact O-N 2.85Å; V185-V187 VanDerWaalsContact C-N 3.29Å; V185-V187 PolarHBondContact O-N 3.5Å
188	G	46.9	Very low	44	Very low	21 Å²	21	92.4 Å²	92.4	22%	0.216	52%	0.516	C	S	.	.	H	α-helix	trans	-77.8	-31.1	174.9	0	0	0	0	0	114.2	I184 V185 A190 R191 E192	I184-G188 WeakPolarHBondContact O-CA 3.14Å; I184-G188 PolarHBondContact O-N 3.02Å; V185-G188 CarbonylContact O-C 3.54Å; V185-G188 WeakPolarHBondContact O-CA 3.27Å; V185-G188 PolarHBondContact O-N 3.11Å; G188-A190 PolarHBondContact O-N 2.79Å; G188-A190 VanDerWaalsContact O-N 3.12Å; G188-R191 WeakPolarHBondContact O-CB 3.27Å; G188-R191 PolarHBondContact O-N 3.33Å; G188-E192 PolarHBondContact O-N 3.18Å
189	Q	43.5	Very low	43.7	Very low	140 Å²	140	92.1 Å²	92.1	65%	0.654	53%	0.525	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.1	-6	171.8	-72.1	172.7	-58.3	0	0	113.3	V185	V185-Q189 HydrophobicContact CG1-CG 4.28Å; V185-Q189 WeakPolarHBondContact O-CG 3.36Å; V185-Q189 PolarHBondContact O-N 3.43Å
190	A	45.9	Very low	43.1	Very low	71 Å²	71	97 Å²	97	59%	0.587	55%	0.551	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.4	18.8	168.5	0	0	0	0	0	112.9	L124 G188	L124-A190 HydrophobicContact CD2-CB 3.7Å; G188-A190 PolarHBondContact O-N 2.79Å; G188-A190 VanDerWaalsContact O-N 3.12Å
191	R	41.3	Very low	42.2	Very low	181 Å²	181	105.2 Å²	105.2	68%	0.683	59%	0.59	S	S	*	*	T	Hydrogen-bonded Turn	trans	-136.9	-24.2	-176.3	-176	177.4	174.7	-81.4	-5.1	114.1	G188	G188-R191 WeakPolarHBondContact O-CB 3.27Å; G188-R191 PolarHBondContact O-N 3.33Å
192	E	39.8	Very low	41.5	Very low	132 Å²	132	108.2 Å²	108.2	62%	0.617	61%	0.609	S	S	*	*			trans	-120	130.1	168.7	-73.5	145.1	-139.8	0	0	104.8	G188	G188-E192 PolarHBondContact O-N 3.18Å
193	E	40.5	Very low	41.3	Very low	141 Å²	141	112.1 Å²	112.1	66%	0.659	63%	0.63	S	S	*	*			cis	-122.3	150.9	34.7	-59.4	-175.1	166.9	0	0	116.8
194	G	37.6	Very low	41.3	Very low	90 Å²	90	113.3 Å²	113.3	93%	0.928	64%	0.638	S	S	*	*			trans	-122.4	46.1	152.4	0	0	0	0	0	110.1
195	A	34.9	Very low	40.9	Very low	72 Å²	72	114 Å²	114	60%	0.595	65%	0.645	S	S	*	*	S	Bend	trans	-149.9	41.2	-165.5	0	0	0	0	0	115.6
196	S	40	Very low	41.2	Very low	114 Å²	114	115.3 Å²	115.3	80%	0.797	66%	0.655	S	S	*	*			trans	57.7	92	159.1	61.9	0	0	0	0	119.7
197	L	29.4	Very low	41.5	Very low	157 Å²	157	111 Å²	111	82%	0.822	64%	0.64	S	S	*	*			trans	-148.4	131.7	148.2	-94.1	177.2	0	0	0	111
198	G	30.6	Very low	41.8	Very low	67 Å²	67	111.1 Å²	111.1	69%	0.691	64%	0.639	S	S	*	*			trans	63.2	124.9	155.9	0	0	0	0	0	120.4
199	P	38.8	Very low	42.4	Very low	124 Å²	124	114.3 Å²	114.3	81%	0.805	65%	0.65	S	S	*	*	S	Bend	trans	-78.2	148.3	155.6	33.3	-30.8	0	0	0	111.1
200	D	33	Very low	43.5	Very low	162 Å²	162	110.4 Å²	110.4	87%	0.866	63%	0.63	S	S	*	*			trans	104.8	34.4	174.7	-57.8	-7.1	0	0	0	118.3
201	E	30.7	Very low	44.5	Very low	184 Å²	184	107 Å²	107	86%	0.86	60%	0.602	S	S	*	*			trans	-126	116.7	147.4	-72.5	-162.6	160.4	0	0	110.3	I203	E201-I203 PolarHBondContact O-N 3.5Å
202	E	35.6	Very low	45.4	Very low	198 Å²	198	100 Å²	100	93%	0.925	58%	0.583	S	S	*	*			trans	-77.4	112.4	-178.8	-67.6	-177.2	137	0	0	111.2	I204	E202-I204 PolarHBondContact O-N 2.92Å
203	I	43	Very low	46.7	Very low	165 Å²	165	95.8 Å²	95.8	85%	0.846	56%	0.563	S	S	*	*			trans	-78.9	106.2	-178.2	-57.8	174.8	0	0	0	110	E201 S205	E201-I203 PolarHBondContact O-N 3.5Å; I203-S205 PolarHBondContact O-N 2.93Å
204	I	46.2	Very low	48.4	Very low	94 Å²	94	89.2 Å²	89.2	48%	0.482	53%	0.532	S	S	.	.			trans	-61.3	124	-179.3	-52.6	177.6	0	0	0	111.1	E202 E208 L209	E202-I204 PolarHBondContact O-N 2.92Å; I204-E208 WeakPolarHBondContact CA-OE2 3.4Å; I204-E208 HydrophobicContact CG2-CB 3.79Å; I204-E208 WeakPolarHBondContact CG2-OE2 3.18Å; I204-L209 HydrophobicContact CB-CD2 4.49Å; I204-L209 HydrophobicContact CG2-CD2 3.79Å; I204-L209 HydrophobicContact CG2-CG 3.85Å
205	S	50.3	Low	49.9	Very low	40 Å²	40	87 Å²	87	28%	0.28	50%	0.499	S	S	.	.			trans	-70.6	149.8	-177.8	167.6	0	0	0	0	112.9	I203 V207 E208 L209	I203-S205 PolarHBondContact O-N 2.93Å; S205-V207 PolarHBondContact O-N 3.42Å; S205-V207 VanDerWaalsContact O-N 3.15Å; S205-V207 PolarHBondContact OG-N 3.29Å; S205-E208 VanDerWaalsContact CB-CD 3.5Å; S205-E208 PolarHBondContact N-OE2 2.9Å; S205-E208 WeakPolarHBondContact O-CB 3.49Å; S205-E208 PolarHBondContact O-N 3.11Å; S205-L209 PolarHBondContact O-N 2.78Å
206	P	54.5	Low	51.5	Low	108 Å²	108	86.6 Å²	86.6	70%	0.701	49%	0.485	S	S	*	.	H	α-helix	trans	-55.3	-30.7	174	-26.8	35.6	0	0	0	114.5	R210	P206-R210 PolarHBondContact O-N 3.36Å
207	V	57.3	Low	53.3	Low	43 Å²	43	82.6 Å²	82.6	26%	0.261	45%	0.452	S	S	.	.	H	α-helix	trans	-71	-42.3	176	-177.6	0	0	0	0	110.5	S205 R210 V211 L271	S205-V207 PolarHBondContact O-N 3.42Å; S205-V207 VanDerWaalsContact O-N 3.15Å; S205-V207 PolarHBondContact OG-N 3.29Å; V207-R210 PolarHBondContact O-N 3.41Å; V207-R210 VanDerWaalsContact O-N 3.15Å; V207-V211 WeakPolarHBondContact O-CG2 3.48Å; V207-V211 PolarHBondContact O-N 2.91Å; V207-L271 HydrophobicContact CB-CD2 4.3Å; V207-L271 HydrophobicContact CG1-CD2 3.79Å; V207-L271 HydrophobicContact CG1-CG 4.13Å
208	E	58.8	Low	55.7	Low	30 Å²	30	76 Å²	76	14%	0.14	42%	0.418	C	S	.	.	H	α-helix	trans	-64.9	-41.3	178.2	-61.8	165.9	-172.7	0	0	111.7	I204 S205 R210 V211 A212 H275 M277	I204-E208 WeakPolarHBondContact CA-OE2 3.4Å; I204-E208 HydrophobicContact CG2-CB 3.79Å; I204-E208 WeakPolarHBondContact CG2-OE2 3.18Å; S205-E208 VanDerWaalsContact CB-CD 3.5Å; S205-E208 PolarHBondContact N-OE2 2.9Å; S205-E208 WeakPolarHBondContact O-CB 3.49Å; S205-E208 PolarHBondContact O-N 3.11Å; E208-R210 VanDerWaalsContact C-N 3.29Å; E208-R210 PolarHBondContact O-N 2.85Å; E208-V211 PolarHBondContact O-N 3.17Å; E208-A212 VanDerWaalsContact O-CB 3.31Å; E208-A212 WeakPolarHBondContact O-CB 3.13Å; E208-A212 PolarHBondContact O-N 2.86Å; E208-H275 IonicContact OE1-CE1 3.29Å; E208-H275 PolarHBondContact OE1-CE1 3Å; E208-H275 IonicContact OE1-NE2 2.72Å; E208-H275 PolarHBondContact OE1-NE2 2.66Å; E208-M277 HydrophobicContact CB-CE 4.07Å; E208-M277 HydrophobicContact CB-SD 3.68Å; E208-M277 HydrophobicContact CG-CE 4.33Å; E208-M277 HydrophobicContact CG-SD 3.53Å; E208-M277 VanDerWaalsContact CG-SD 3.53Å
209	L	59.1	Low	57.9	Low	88 Å²	88	80.4 Å²	80.4	46%	0.461	42%	0.417	S	S	.	.	H	α-helix	trans	-58.8	-40.7	172.3	-70.6	175.5	0	0	0	111.6	I204 S205 E213	I204-L209 HydrophobicContact CB-CD2 4.49Å; I204-L209 HydrophobicContact CG2-CD2 3.79Å; I204-L209 HydrophobicContact CG2-CG 3.85Å; S205-L209 PolarHBondContact O-N 2.78Å; L209-E213 PolarHBondContact O-N 2.69Å
210	R	66.1	Low	59.6	Low	57 Å²	57	77.7 Å²	77.7	22%	0.215	40%	0.396	C	S	.	.	H	α-helix	trans	-68.6	-41.9	177.1	-166.8	70.7	-166.9	146	6.3	111.8	P206 V207 E208 E213 L214 E453	P206-R210 PolarHBondContact O-N 3.36Å; V207-R210 PolarHBondContact O-N 3.41Å; V207-R210 VanDerWaalsContact O-N 3.15Å; E208-R210 VanDerWaalsContact C-N 3.29Å; E208-R210 PolarHBondContact O-N 2.85Å; R210-E213 IonicContact CZ-OE1 2.94Å; R210-E213 IonicContact CZ-OE2 3.87Å; R210-E213 IonicContact NH1-OE1 3.51Å; R210-E213 PolarHBondContact NH1-OE1 2.94Å; R210-E213 IonicContact NH1-OE2 3.89Å; R210-E213 PolarHBondContact NH1-OE2 2.83Å; R210-E213 IonicContact NH2-OE1 2.83Å; R210-E213 PolarHBondContact O-N 2.74Å; R210-L214 HydrophobicContact CG-CD1 4.28Å; R210-L214 WeakPolarHBondContact O-CB 3.38Å; R210-L214 VanDerWaalsContact O-CG 3.29Å; R210-L214 WeakPolarHBondContact O-CG 3.47Å; R210-L214 PolarHBondContact O-N 2.9Å; R210-E453 IonicContact CZ-OE1 3.75Å; R210-E453 IonicContact NE-OE1 3.22Å; R210-E453 IonicContact NH2-OE1 3.7Å; R210-E453 PolarHBondContact NH2-OE1 3.48Å
211	V	66.9	Low	62	Low	0 Å²	0	70.4 Å²	70.4	0%	0	36%	0.356	C	S	.	.	H	α-helix	trans	-63.3	-43.4	175.1	168.4	0	0	0	0	111.4	V207 E208 E213 L214 L215 L264 R267 M277 I281	V207-V211 WeakPolarHBondContact O-CG2 3.48Å; V207-V211 PolarHBondContact O-N 2.91Å; E208-V211 PolarHBondContact O-N 3.17Å; V211-E213 VanDerWaalsContact C-N 3.34Å; V211-E213 PolarHBondContact O-N 2.74Å; V211-L214 PolarHBondContact O-N 2.9Å; V211-L215 HydrophobicContact CG1-CD1 4.02Å; V211-L215 HydrophobicContact CG1-CG 4.36Å; V211-L215 WeakPolarHBondContact O-CB 3.36Å; V211-L215 WeakPolarHBondContact O-CG 3.47Å; V211-L215 PolarHBondContact O-N 3.43Å; V211-L264 HydrophobicContact CG1-CD2 4.05Å; V211-R267 HydrophobicContact CG2-CB 3.97Å; V211-M277 HydrophobicContact CB-CE 4.28Å; V211-M277 HydrophobicContact CG1-CE 3.89Å; V211-I281 HydrophobicContact CG1-CD1 3.59Å; V211-I281 HydrophobicContact CG1-CG1 3.85Å
212	A	61.2	Low	64.4	Low	35 Å²	35	64.1 Å²	64.1	29%	0.289	33%	0.333	S	S	.	.	H	α-helix	trans	-62.3	-40.4	176.8	0	0	0	0	0	112	E208 H216 F315	E208-A212 VanDerWaalsContact O-CB 3.31Å; E208-A212 WeakPolarHBondContact O-CB 3.13Å; E208-A212 PolarHBondContact O-N 2.86Å; A212-H216 WeakPolarHBondContact O-CB 3.46Å; A212-H216 PolarHBondContact O-N 2.7Å; A212-F315 HydrophobicContact CB-CZ 4.44Å
213	E	67.3	Low	66.3	Low	43 Å²	43	57.7 Å²	57.7	20%	0.201	31%	0.313	C	S	.	.	H	α-helix	trans	-63	-47.1	172.7	-168.6	-169.5	140.4	0	0	111.5	L209 R210 V211 H216 R217 F315	L209-E213 PolarHBondContact O-N 2.69Å; R210-E213 IonicContact CZ-OE1 2.94Å; R210-E213 IonicContact CZ-OE2 3.87Å; R210-E213 IonicContact NH1-OE1 3.51Å; R210-E213 PolarHBondContact NH1-OE1 2.94Å; R210-E213 IonicContact NH1-OE2 3.89Å; R210-E213 PolarHBondContact NH1-OE2 2.83Å; R210-E213 IonicContact NH2-OE1 2.83Å; R210-E213 PolarHBondContact O-N 2.74Å; V211-E213 VanDerWaalsContact C-N 3.34Å; V211-E213 PolarHBondContact O-N 2.74Å; E213-H216 WeakPolarHBondContact O-CB 3.33Å; E213-H216 PolarHBondContact O-N 2.87Å; E213-R217 VanDerWaalsContact O-CG 3.26Å; E213-R217 WeakPolarHBondContact O-CG 3.44Å; E213-R217 PolarHBondContact O-N 2.85Å; E213-F315 HydrophobicContact CB-CE1 3.89Å; E213-F315 HydrophobicContact CB-CZ 4.29Å; E213-F315 HydrophobicContact CG-CD1 4.5Å; E213-F315 HydrophobicContact CG-CE1 4Å
214	L	74.4	Confident	67.9	Low	2 Å²	2	52.3 Å²	52.3	1%	0.01	29%	0.288	C	S	.	.	H	α-helix	trans	-62.8	-42.2	178.9	-72.8	167.5	0	0	0	112.5	R210 V211 R217 M218 L260 S263 L264 R267 E453	R210-L214 HydrophobicContact CG-CD1 4.28Å; R210-L214 WeakPolarHBondContact O-CB 3.38Å; R210-L214 VanDerWaalsContact O-CG 3.29Å; R210-L214 WeakPolarHBondContact O-CG 3.47Å; R210-L214 PolarHBondContact O-N 2.9Å; V211-L214 PolarHBondContact O-N 2.9Å; L214-R217 PolarHBondContact O-N 3.39Å; L214-M218 WeakPolarHBondContact O-CB 3.34Å; L214-M218 PolarHBondContact O-N 3.23Å; L214-L260 HydrophobicContact CD2-CD2 3.86Å; L214-S263 WeakPolarHBondContact CD1-OG 3.45Å; L214-L264 HydrophobicContact CB-CD2 3.51Å; L214-L264 HydrophobicContact CB-CG 3.84Å; L214-L264 HydrophobicContact CD1-CD2 4.29Å; L214-R267 HydrophobicContact CD1-CG 4.18Å; L214-E453 HydrophobicContact CD2-CG 4.09Å
215	L	70.6	Confident	69.6	Low	44 Å²	44	48.3 Å²	48.3	23%	0.23	27%	0.269	C	S	.	.	H	α-helix	trans	-60.9	-44.2	173.1	-75.7	172.1	0	0	0	111.5	V211 R217 M218 K219 L264 I281	V211-L215 HydrophobicContact CG1-CD1 4.02Å; V211-L215 HydrophobicContact CG1-CG 4.36Å; V211-L215 WeakPolarHBondContact O-CB 3.36Å; V211-L215 WeakPolarHBondContact O-CG 3.47Å; V211-L215 PolarHBondContact O-N 3.43Å; L215-R217 PolarHBondContact O-N 2.89Å; L215-M218 HydrophobicContact CD2-CE 4.2Å; L215-M218 PolarHBondContact O-N 3.07Å; L215-K219 WeakPolarHBondContact O-CB 3.37Å; L215-K219 PolarHBondContact O-N 2.88Å; L215-L264 HydrophobicContact CD2-CD1 3.87Å; L215-L264 HydrophobicContact CD2-CD2 4.13Å; L215-L264 HydrophobicContact CG-CD1 4.39Å; L215-L264 HydrophobicContact CG-CD2 3.91Å; L215-I281 HydrophobicContact CD1-CG1 4.32Å
216	H	68.6	Low	70.9	Confident	63 Å²	63	52.1 Å²	52.1	29%	0.292	28%	0.283	S	S	.	.	H	α-helix	trans	-61.2	-43.2	176.6	-176.2	62.8	0	0	0	111.6	A212 E213 K219 I220 F315	A212-H216 WeakPolarHBondContact O-CB 3.46Å; A212-H216 PolarHBondContact O-N 2.7Å; E213-H216 WeakPolarHBondContact O-CB 3.33Å; E213-H216 PolarHBondContact O-N 2.87Å; H216-K219 PolarHBondContact O-N 2.63Å; H216-I220 WeakPolarHBondContact O-CG1 3.37Å; H216-I220 PolarHBondContact O-N 3.19Å; H216-I220 VanDerWaalsContact O-N 3.09Å; H216-F315 AromaticContact CD2-CG 3.89Å
217	R	77.6	Confident	71.9	Confident	30 Å²	30	48.8 Å²	48.8	11%	0.113	27%	0.267	C	S	.	.	H	α-helix	trans	-62.4	-47.1	174.5	-67.1	-70	174.4	-172.8	-2.6	112.4	E213 L214 L215 K219 I220 E221 L260 E416	E213-R217 VanDerWaalsContact O-CG 3.26Å; E213-R217 WeakPolarHBondContact O-CG 3.44Å; E213-R217 PolarHBondContact O-N 2.85Å; L214-R217 PolarHBondContact O-N 3.39Å; L215-R217 PolarHBondContact O-N 2.89Å; R217-K219 VanDerWaalsContact C-N 3.28Å; R217-K219 PolarHBondContact O-N 2.78Å; R217-I220 PolarHBondContact O-N 2.88Å; R217-E221 PolarHBondContact O-N 2.81Å; R217-L260 HydrophobicContact CB-CD1 3.83Å; R217-L260 HydrophobicContact CB-CD2 4.02Å; R217-E416 IonicContact CZ-OE1 2.75Å; R217-E416 IonicContact CZ-OE2 3.46Å; R217-E416 IonicContact NH1-OE1 3.42Å; R217-E416 PolarHBondContact NH1-OE1 2.91Å; R217-E416 IonicContact NH1-OE2 2.69Å; R217-E416 PolarHBondContact NH1-OE2 2.81Å; R217-E416 IonicContact NH2-OE1 3.24Å; R217-E416 IonicContact NH2-OE2 3.37Å; R217-E416 PolarHBondContact NH2-OE2 3.5Å
218	M	80.1	Confident	72.9	Confident	20 Å²	20	47.2 Å²	47.2	10%	0.099	26%	0.259	C	S	.	.	H	α-helix	trans	-61.5	-38	179.5	-171.3	175.1	69.6	0	0	111.3	L214 L215 S222 V257 L260 R261 L264	L214-M218 WeakPolarHBondContact O-CB 3.34Å; L214-M218 PolarHBondContact O-N 3.23Å; L215-M218 HydrophobicContact CD2-CE 4.2Å; L215-M218 PolarHBondContact O-N 3.07Å; M218-S222 VanDerWaalsContact O-CB 3.27Å; M218-S222 WeakPolarHBondContact O-CB 3.27Å; M218-S222 PolarHBondContact O-N 2.81Å; M218-S222 PolarHBondContact O-OG 3.47Å; M218-V257 HydrophobicContact CG-CG1 4.2Å; M218-L260 HydrophobicContact CB-CB 4.31Å; M218-R261 HydrophobicContact SD-CB 4.3Å; M218-L264 HydrophobicContact CB-CD1 4.39Å; M218-L264 HydrophobicContact CE-CD1 3.7Å; M218-L264 HydrophobicContact SD-CD1 3.71Å
219	K	75.6	Confident	74	Confident	158 Å²	158	51.5 Å²	51.5	69%	0.687	28%	0.277	S	S	*	.	H	α-helix	trans	-65.5	-42.9	174.7	-173.5	172.6	-177.5	173.5	0	112.8	L215 H216 R217 A223	L215-K219 WeakPolarHBondContact O-CB 3.37Å; L215-K219 PolarHBondContact O-N 2.88Å; H216-K219 PolarHBondContact O-N 2.63Å; R217-K219 VanDerWaalsContact C-N 3.28Å; R217-K219 PolarHBondContact O-N 2.78Å; K219-A223 PolarHBondContact O-N 2.88Å; K219-A223 VanDerWaalsContact O-N 3.15Å
220	I	75.2	Confident	75.1	Confident	68 Å²	68	49.9 Å²	49.9	35%	0.349	27%	0.269	S	S	.	.	H	α-helix	trans	-61.9	-52.2	176.7	-70.1	165.8	0	0	0	110.6	H216 R217 S222 A223 V224	H216-I220 WeakPolarHBondContact O-CG1 3.37Å; H216-I220 PolarHBondContact O-N 3.19Å; H216-I220 VanDerWaalsContact O-N 3.09Å; R217-I220 PolarHBondContact O-N 2.88Å; I220-S222 PolarHBondContact O-N 3.17Å; I220-A223 PolarHBondContact O-N 3.09Å; I220-V224 HydrophobicContact CG2-CG2 4.49Å; I220-V224 WeakPolarHBondContact O-CG2 3.35Å; I220-V224 PolarHBondContact O-N 3.35Å
221	E	84	Confident	75.7	Confident	8 Å²	8	50.5 Å²	50.5	4%	0.037	28%	0.279	C	S	.	.	H	α-helix	trans	-66.6	-36.8	-178.4	-67.2	-68.2	171.1	0	0	111.7	R217 A223 V224 A225 S253 K256 V257 L260	R217-E221 PolarHBondContact O-N 2.81Å; E221-A223 VanDerWaalsContact C-N 3.31Å; E221-A223 PolarHBondContact O-N 3.46Å; E221-V224 PolarHBondContact O-N 2.91Å; E221-V224 VanDerWaalsContact O-N 3.17Å; E221-A225 WeakPolarHBondContact O-CB 3.3Å; E221-A225 PolarHBondContact O-N 3.47Å; E221-S253 PolarHBondContact O-OG 3.09Å; E221-S253 WeakPolarHBondContact OE2-CB 3.45Å; E221-S253 PolarHBondContact OE2-OG 2.89Å; E221-K256 HydrophobicContact CB-CB 4.48Å; E221-K256 HydrophobicContact CG-CB 4.1Å; E221-K256 HydrophobicContact CG-CD 3.98Å; E221-K256 WeakPolarHBondContact OE1-CD 3.28Å; E221-K256 WeakPolarHBondContact OE1-CE 3.45Å; E221-K256 IonicContact OE1-NZ 3.5Å; E221-K256 PolarHBondContact OE1-NZ 2.96Å; E221-K256 WeakPolarHBondContact OE2-CD 3.43Å; E221-K256 IonicContact OE2-NZ 3.44Å; E221-V257 HydrophobicContact CB-CG2 3.65Å; E221-L260 HydrophobicContact CG-CD1 4.24Å
222	S	79.9	Confident	76.4	Confident	53 Å²	53	51.7 Å²	51.7	37%	0.371	29%	0.289	S	S	.	.	H	α-helix	trans	-58.9	-42.1	173.8	-59.7	0	0	0	0	112.4	M218 I220 E226	M218-S222 VanDerWaalsContact O-CB 3.27Å; M218-S222 WeakPolarHBondContact O-CB 3.27Å; M218-S222 PolarHBondContact O-N 2.81Å; M218-S222 PolarHBondContact O-OG 3.47Å; I220-S222 PolarHBondContact O-N 3.17Å; S222-E226 PolarHBondContact O-N 2.83Å
223	A	74.6	Confident	77.4	Confident	62 Å²	62	56.9 Å²	56.9	51%	0.512	31%	0.305	S	S	.	.	H	α-helix	trans	-69	-36.3	175.8	0	0	0	0	0	112.9	K219 I220 E221 G227	K219-A223 PolarHBondContact O-N 2.88Å; K219-A223 VanDerWaalsContact O-N 3.15Å; I220-A223 PolarHBondContact O-N 3.09Å; E221-A223 VanDerWaalsContact C-N 3.31Å; E221-A223 PolarHBondContact O-N 3.46Å; A223-G227 PolarHBondContact O-N 2.95Å
224	V	78.3	Confident	77.9	Confident	52 Å²	52	61.9 Å²	61.9	32%	0.315	33%	0.332	S	S	.	.	H	α-helix	trans	-65.8	-44.2	174.3	170.3	0	0	0	0	111	I220 E221 A228	I220-V224 HydrophobicContact CG2-CG2 4.49Å; I220-V224 WeakPolarHBondContact O-CG2 3.35Å; I220-V224 PolarHBondContact O-N 3.35Å; E221-V224 PolarHBondContact O-N 2.91Å; E221-V224 VanDerWaalsContact O-N 3.17Å; V224-A228 VanDerWaalsContact O-CB 3.28Å; V224-A228 WeakPolarHBondContact O-CB 3.17Å; V224-A228 PolarHBondContact O-N 2.96Å
225	A	80.9	Confident	78.2	Confident	11 Å²	11	63 Å²	63	9%	0.091	34%	0.339	C	S	.	.	H	α-helix	trans	-62.1	-44.2	175.7	0	0	0	0	0	111.8	E221 K229 S253	E221-A225 WeakPolarHBondContact O-CB 3.3Å; E221-A225 PolarHBondContact O-N 3.47Å; A225-K229 WeakPolarHBondContact O-CB 3.46Å; A225-K229 PolarHBondContact O-N 3.4Å; A225-S253 PolarHBondContact N-OG 3.41Å
226	E	77.3	Confident	78.1	Confident	120 Å²	120	65 Å²	65	56%	0.561	35%	0.35	S	S	*	.	H	α-helix	trans	-67.3	-45.9	176.5	179.9	164.4	-154	0	0	112.6	S222 A228 K229 N230	S222-E226 PolarHBondContact O-N 2.83Å; E226-A228 PolarHBondContact O-N 3.48Å; E226-K229 CarbonylContact O-C 3.59Å; E226-K229 WeakPolarHBondContact O-CA 3.48Å; E226-K229 WeakPolarHBondContact O-CB 3.49Å; E226-K229 PolarHBondContact O-N 2.91Å; E226-K229 VanDerWaalsContact O-N 3.08Å; E226-N230 PolarHBondContact O-N 3.35Å; E226-N230 PolarHBondContact O-ND2 2.9Å
227	G	75.3	Confident	78	Confident	37 Å²	37	72.4 Å²	72.4	38%	0.381	38%	0.375	S	S	.	.	H	α-helix	trans	-57.7	-48.3	176.8	0	0	0	0	0	111.9	A223 K229 N230 V231	A223-G227 PolarHBondContact O-N 2.95Å; G227-K229 VanDerWaalsContact C-N 3.29Å; G227-K229 PolarHBondContact O-N 3.41Å; G227-N230 PolarHBondContact O-N 2.88Å; G227-V231 WeakPolarHBondContact O-CG2 3.14Å; G227-V231 PolarHBondContact O-N 2.83Å
228	A	78.4	Confident	77.4	Confident	10 Å²	10	79.2 Å²	79.2	8%	0.083	41%	0.406	C	S	.	.	H	α-helix	trans	-62.9	-34.2	175.2	0	0	0	0	0	112.6	V224 E226 V231 A232 R249 V250	V224-A228 VanDerWaalsContact O-CB 3.28Å; V224-A228 WeakPolarHBondContact O-CB 3.17Å; V224-A228 PolarHBondContact O-N 2.96Å; E226-A228 PolarHBondContact O-N 3.48Å; A228-V231 PolarHBondContact O-N 3.21Å; A228-A232 VanDerWaalsContact O-CB 3.31Å; A228-A232 WeakPolarHBondContact O-CB 3.41Å; A228-A232 PolarHBondContact O-N 3.25Å; A228-R249 HydrophobicContact CB-CB 3.79Å; A228-V250 HydrophobicContact CB-CG2 3.6Å
229	K	83.5	Confident	77	Confident	120 Å²	120	83.8 Å²	83.8	52%	0.522	43%	0.427	S	S	.	.	H	α-helix	trans	-70.5	-31.8	177	-175.7	-179.7	-176	-179.7	0	111.7	A225 E226 G227 K233 V250	A225-K229 WeakPolarHBondContact O-CB 3.46Å; A225-K229 PolarHBondContact O-N 3.4Å; E226-K229 CarbonylContact O-C 3.59Å; E226-K229 WeakPolarHBondContact O-CA 3.48Å; E226-K229 WeakPolarHBondContact O-CB 3.49Å; E226-K229 PolarHBondContact O-N 2.91Å; E226-K229 VanDerWaalsContact O-N 3.08Å; G227-K229 VanDerWaalsContact C-N 3.29Å; G227-K229 PolarHBondContact O-N 3.41Å; K229-K233 WeakPolarHBondContact O-CG 3.31Å; K229-K233 PolarHBondContact O-N 3.44Å; K229-V250 VanDerWaalsContact CA-CG2 3.46Å; K229-V250 HydrophobicContact CB-CG1 4.42Å; K229-V250 HydrophobicContact CB-CG2 3.8Å
230	N	80.8	Confident	77	Confident	55 Å²	55	85.5 Å²	85.5	29%	0.294	43%	0.429	S	S	.	.	H	α-helix	trans	-76	-41.3	174.3	-69.2	-25.4	0	0	0	111.5	E226 G227 A232 K233 L234	E226-N230 PolarHBondContact O-N 3.35Å; E226-N230 PolarHBondContact O-ND2 2.9Å; G227-N230 PolarHBondContact O-N 2.88Å; N230-A232 VanDerWaalsContact C-N 3.34Å; N230-A232 PolarHBondContact O-N 3.26Å; N230-K233 WeakPolarHBondContact O-CB 3.47Å; N230-K233 PolarHBondContact O-N 2.89Å; N230-K233 VanDerWaalsContact O-N 3.14Å; N230-K233 PolarHBondContact OD1-NZ 2.82Å; N230-L234 WeakPolarHBondContact O-CG 3.48Å; N230-L234 PolarHBondContact O-N 3.41Å
231	V	79.2	Confident	77.2	Confident	69 Å²	69	92.2 Å²	92.2	42%	0.418	45%	0.45	S	S	.	.	H	α-helix	trans	-57.2	-46.2	169	173.8	0	0	0	0	111.1	G227 A228 K233 L234 V235 A246	G227-V231 WeakPolarHBondContact O-CG2 3.14Å; G227-V231 PolarHBondContact O-N 2.83Å; A228-V231 PolarHBondContact O-N 3.21Å; V231-K233 PolarHBondContact O-N 2.97Å; V231-K233 VanDerWaalsContact O-N 3.14Å; V231-L234 PolarHBondContact O-N 3.04Å; V231-V235 HydrophobicContact CG1-CG2 3.87Å; V231-V235 VanDerWaalsContact O-CG2 3.32Å; V231-V235 WeakPolarHBondContact O-CG2 3.24Å; V231-V235 PolarHBondContact O-N 2.81Å; V231-V235 VanDerWaalsContact O-N 3.16Å; V231-A246 HydrophobicContact CB-CB 4.42Å; V231-A246 HydrophobicContact CG1-CB 3.99Å
232	A	82.3	Confident	76.9	Confident	25 Å²	25	94.9 Å²	94.9	21%	0.207	47%	0.466	C	S	.	.	H	α-helix	trans	-65.1	-14.5	179.1	0	0	0	0	0	114.9	A228 N230 L243 A246 Q247	A228-A232 VanDerWaalsContact O-CB 3.31Å; A228-A232 WeakPolarHBondContact O-CB 3.41Å; A228-A232 PolarHBondContact O-N 3.25Å; N230-A232 VanDerWaalsContact C-N 3.34Å; N230-A232 PolarHBondContact O-N 3.26Å; A232-L243 HydrophobicContact CB-CD1 4.26Å; A232-L243 WeakPolarHBondContact O-CD1 3.37Å; A232-A246 HydrophobicContact CB-CB 3.96Å; A232-Q247 HydrophobicContact CB-CG 4.39Å
233	K	81.2	Confident	76.9	Confident	144 Å²	144	93.6 Å²	93.6	63%	0.626	46%	0.456	S	S	*	.	H	α-helix	trans	-86.3	-32	170.2	-67.3	164.3	-167.8	167.5	0	112.8	K229 N230 V231	K229-K233 WeakPolarHBondContact O-CG 3.31Å; K229-K233 PolarHBondContact O-N 3.44Å; N230-K233 WeakPolarHBondContact O-CB 3.47Å; N230-K233 PolarHBondContact O-N 2.89Å; N230-K233 VanDerWaalsContact O-N 3.14Å; N230-K233 PolarHBondContact OD1-NZ 2.82Å; V231-K233 PolarHBondContact O-N 2.97Å; V231-K233 VanDerWaalsContact O-N 3.14Å
234	L	78.5	Confident	77.3	Confident	148 Å²	148	94.4 Å²	94.4	78%	0.775	45%	0.454	S	S	*	.	H	α-helix	trans	-90.3	-24	-169.7	-68.9	168	0	0	0	113.7	N230 V231	N230-L234 WeakPolarHBondContact O-CG 3.48Å; N230-L234 PolarHBondContact O-N 3.41Å; V231-L234 PolarHBondContact O-N 3.04Å
235	V	79.4	Confident	77.4	Confident	27 Å²	27	95.9 Å²	95.9	16%	0.164	46%	0.458	C	S	.	.	S	Bend	trans	-76.3	126.6	-178.1	172.1	0	0	0	0	111.5	V231 E239 V242 L243	V231-V235 HydrophobicContact CG1-CG2 3.87Å; V231-V235 VanDerWaalsContact O-CG2 3.32Å; V231-V235 WeakPolarHBondContact O-CG2 3.24Å; V231-V235 PolarHBondContact O-N 2.81Å; V231-V235 VanDerWaalsContact O-N 3.16Å; V235-E239 HydrophobicContact CG1-CB 3.76Å; V235-V242 HydrophobicContact CG1-CB 4.11Å; V235-V242 HydrophobicContact CG1-CG1 4.27Å; V235-V242 HydrophobicContact CG2-CG1 3.87Å; V235-L243 HydrophobicContact CG1-CB 4.11Å
236	D	69.8	Low	77.5	Confident	84 Å²	84	95.6 Å²	95.6	45%	0.449	46%	0.455	S	S	.	.			trans	-60.7	143.6	175.6	-176.8	14.5	0	0	0	111	K238 E239	D236-K238 PolarHBondContact O-N 3.35Å; D236-K238 WeakPolarHBondContact OD2-CD 3.18Å; D236-K238 WeakPolarHBondContact OD2-CG 3.44Å; D236-K238 IonicContact OD2-NZ 3.74Å; D236-K238 PolarHBondContact OD2-NZ 3.15Å; D236-E239 PolarHBondContact O-N 3.17Å
237	R	66.6	Low	77.9	Confident	219 Å²	219	94.8 Å²	94.8	83%	0.826	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	-14.9	-179.7	-65.7	-177.5	174.5	-169.7	-1.7	113.6
238	K	64.4	Low	78.3	Confident	173 Å²	173	95.5 Å²	95.5	75%	0.752	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.7	-34.8	171.7	-58.6	-171.6	-161.4	94.1	0	112.7	D236 R240	D236-K238 PolarHBondContact O-N 3.35Å; D236-K238 WeakPolarHBondContact OD2-CD 3.18Å; D236-K238 WeakPolarHBondContact OD2-CG 3.44Å; D236-K238 IonicContact OD2-NZ 3.74Å; D236-K238 PolarHBondContact OD2-NZ 3.15Å; K238-R240 PolarHBondContact O-N 3.25Å
239	E	71.3	Confident	78.5	Confident	116 Å²	116	100.9 Å²	100.9	54%	0.542	47%	0.472	S	S	.	.			trans	-83.1	51.9	-179.7	-64.4	-163.6	168.4	0	0	112.1	V235 D236 R241 V242 L243	V235-E239 HydrophobicContact CG1-CB 3.76Å; D236-E239 PolarHBondContact O-N 3.17Å; E239-R241 PolarHBondContact O-N 3.32Å; E239-V242 HydrophobicContact CB-CB 4.48Å; E239-V242 HydrophobicContact CB-CG2 4.49Å; E239-V242 PolarHBondContact O-N 2.67Å; E239-L243 PolarHBondContact O-N 2.72Å; E239-L243 VanDerWaalsContact O-N 3.12Å
240	R	75.4	Confident	78.6	Confident	195 Å²	195	96.7 Å²	96.7	74%	0.736	46%	0.456	S	S	*	.	H	α-helix	trans	-52.6	-31.4	-169.5	-166.9	173.6	-175.3	129.7	1.2	114	K238 T244	K238-R240 PolarHBondContact O-N 3.25Å; R240-T244 WeakPolarHBondContact O-CB 3.27Å; R240-T244 PolarHBondContact O-N 2.82Å; R240-T244 PolarHBondContact O-OG1 3.08Å
241	R	79.6	Confident	78.9	Confident	209 Å²	209	99.7 Å²	99.7	79%	0.789	47%	0.468	S	S	*	.	H	α-helix	trans	-65.5	-50.2	176	-177.3	177.8	176.4	173.5	-0.5	112.3	E239 L243 T244 E245	E239-R241 PolarHBondContact O-N 3.32Å; R241-L243 VanDerWaalsContact C-N 3.34Å; R241-T244 PolarHBondContact O-N 2.69Å; R241-E245 WeakPolarHBondContact O-CB 3.34Å; R241-E245 PolarHBondContact O-N 3.43Å
242	V	77.1	Confident	79.4	Confident	63 Å²	63	98.9 Å²	98.9	38%	0.382	46%	0.46	S	S	.	.	H	α-helix	trans	-65.3	-42.1	-179.5	-175.7	0	0	0	0	109.8	V235 E239 T244 E245 A246	V235-V242 HydrophobicContact CG1-CB 4.11Å; V235-V242 HydrophobicContact CG1-CG1 4.27Å; V235-V242 HydrophobicContact CG2-CG1 3.87Å; E239-V242 HydrophobicContact CB-CB 4.48Å; E239-V242 HydrophobicContact CB-CG2 4.49Å; E239-V242 PolarHBondContact O-N 2.67Å; V242-T244 PolarHBondContact O-N 2.79Å; V242-E245 PolarHBondContact O-N 2.86Å; V242-A246 WeakPolarHBondContact O-CB 3.42Å; V242-A246 PolarHBondContact O-N 2.96Å
243	L	81.6	Confident	79.7	Confident	27 Å²	27	97.8 Å²	97.8	14%	0.141	45%	0.451	C	S	.	.	H	α-helix	trans	-61	-44.3	175.7	-177.5	60.6	0	0	0	112.5	A232 V235 E239 R241 Q247	A232-L243 HydrophobicContact CB-CD1 4.26Å; A232-L243 WeakPolarHBondContact O-CD1 3.37Å; V235-L243 HydrophobicContact CG1-CB 4.11Å; E239-L243 PolarHBondContact O-N 2.72Å; E239-L243 VanDerWaalsContact O-N 3.12Å; R241-L243 VanDerWaalsContact C-N 3.34Å; L243-Q247 HydrophobicContact CD1-CG 4.41Å; L243-Q247 WeakPolarHBondContact O-CB 3.34Å; L243-Q247 WeakPolarHBondContact O-CG 3.45Å; L243-Q247 PolarHBondContact O-N 2.7Å
244	T	81.4	Confident	80	Confident	78 Å²	78	93.1 Å²	93.1	48%	0.479	44%	0.436	S	S	.	.	H	α-helix	trans	-66.6	-38.8	176.1	-61	0	0	0	0	112.2	R240 R241 V242 Q247 A248	R240-T244 WeakPolarHBondContact O-CB 3.27Å; R240-T244 PolarHBondContact O-N 2.82Å; R240-T244 PolarHBondContact O-OG1 3.08Å; R241-T244 PolarHBondContact O-N 2.69Å; V242-T244 PolarHBondContact O-N 2.79Å; T244-Q247 PolarHBondContact O-N 2.84Å; T244-A248 WeakPolarHBondContact O-CB 3.26Å; T244-A248 PolarHBondContact O-N 3.21Å
245	E	82.1	Confident	80.6	Confident	84 Å²	84	87 Å²	87	39%	0.393	40%	0.403	S	S	.	.	H	α-helix	trans	-66.5	-42.2	177	-168.9	179.7	134.6	0	0	111.9	R241 V242 A248 R249	R241-E245 WeakPolarHBondContact O-CB 3.34Å; R241-E245 PolarHBondContact O-N 3.43Å; V242-E245 PolarHBondContact O-N 2.86Å; E245-A248 PolarHBondContact O-N 3.02Å; E245-R249 PolarHBondContact O-N 2.75Å; E245-R249 IonicContact OE1-CZ 3.78Å; E245-R249 IonicContact OE1-NH1 2.71Å; E245-R249 PolarHBondContact OE1-NH1 3.01Å; E245-R249 IonicContact OE1-NH2 2.75Å; E245-R249 PolarHBondContact OE1-NH2 3.28Å
246	A	82.2	Confident	81.1	Confident	4 Å²	4	85.7 Å²	85.7	3%	0.033	40%	0.396	C	S	.	.	H	α-helix	trans	-63.4	-46.5	174.3	0	0	0	0	0	111.5	V231 A232 V242 A248 R249 V250	V231-A246 HydrophobicContact CB-CB 4.42Å; V231-A246 HydrophobicContact CG1-CB 3.99Å; A232-A246 HydrophobicContact CB-CB 3.96Å; V242-A246 WeakPolarHBondContact O-CB 3.42Å; V242-A246 PolarHBondContact O-N 2.96Å; A246-A248 VanDerWaalsContact C-N 3.33Å; A246-A248 PolarHBondContact O-N 3.32Å; A246-R249 PolarHBondContact O-N 2.88Å; A246-V250 WeakPolarHBondContact O-CG2 3.31Å; A246-V250 PolarHBondContact O-N 2.79Å
247	Q	85.1	Confident	81.9	Confident	103 Å²	103	82.3 Å²	82.3	48%	0.481	38%	0.378	S	S	.	.	H	α-helix	trans	-60	-40.8	176	-74.9	171.4	-10.9	0	0	112.5	A232 L243 T244 V250 Q251	A232-Q247 HydrophobicContact CB-CG 4.39Å; L243-Q247 HydrophobicContact CD1-CG 4.41Å; L243-Q247 WeakPolarHBondContact O-CB 3.34Å; L243-Q247 WeakPolarHBondContact O-CG 3.45Å; L243-Q247 PolarHBondContact O-N 2.7Å; T244-Q247 PolarHBondContact O-N 2.84Å; Q247-V250 PolarHBondContact O-N 3Å; Q247-Q251 PolarHBondContact O-N 2.94Å
248	A	83.9	Confident	83	Confident	52 Å²	52	73.5 Å²	73.5	43%	0.43	35%	0.347	S	S	.	.	H	α-helix	trans	-63.9	-41.5	175.1	0	0	0	0	0	112.3	T244 E245 A246 Q251 E252	T244-A248 WeakPolarHBondContact O-CB 3.26Å; T244-A248 PolarHBondContact O-N 3.21Å; E245-A248 PolarHBondContact O-N 3.02Å; A246-A248 VanDerWaalsContact C-N 3.33Å; A246-A248 PolarHBondContact O-N 3.32Å; A248-Q251 PolarHBondContact O-N 3.34Å; A248-E252 WeakPolarHBondContact O-CB 3.3Å; A248-E252 PolarHBondContact O-N 2.72Å
249	R	83.2	Confident	84.2	Confident	124 Å²	124	65.3 Å²	65.3	47%	0.468	31%	0.312	S	S	.	.	H	α-helix	trans	-63.8	-42.7	173.9	-75.9	-168.9	-178.5	103.1	13.3	112.7	A228 E245 A246 Q251 S253	A228-R249 HydrophobicContact CB-CB 3.79Å; E245-R249 PolarHBondContact O-N 2.75Å; E245-R249 IonicContact OE1-CZ 3.78Å; E245-R249 IonicContact OE1-NH1 2.71Å; E245-R249 PolarHBondContact OE1-NH1 3.01Å; E245-R249 IonicContact OE1-NH2 2.75Å; E245-R249 PolarHBondContact OE1-NH2 3.28Å; A246-R249 PolarHBondContact O-N 2.88Å; R249-Q251 VanDerWaalsContact C-N 3.32Å; R249-Q251 PolarHBondContact O-N 3.43Å; R249-S253 WeakPolarHBondContact O-CB 3.25Å; R249-S253 PolarHBondContact O-N 3.3Å
250	V	86.3	Confident	85	Confident	31 Å²	31	59.8 Å²	59.8	19%	0.188	29%	0.286	C	S	.	.	H	α-helix	trans	-56.7	-49.2	174.4	174.4	0	0	0	0	110.2	A228 K229 A246 Q247 S254	A228-V250 HydrophobicContact CB-CG2 3.6Å; K229-V250 VanDerWaalsContact CA-CG2 3.46Å; K229-V250 HydrophobicContact CB-CG1 4.42Å; K229-V250 HydrophobicContact CB-CG2 3.8Å; A246-V250 WeakPolarHBondContact O-CG2 3.31Å; A246-V250 PolarHBondContact O-N 2.79Å; Q247-V250 PolarHBondContact O-N 3Å; V250-S254 WeakPolarHBondContact O-CB 3.5Å; V250-S254 PolarHBondContact O-N 3.38Å; V250-S254 PolarHBondContact O-OG 3.47Å
251	Q	87.3	Confident	85.6	Confident	119 Å²	119	54.4 Å²	54.4	56%	0.556	27%	0.266	S	S	*	.	H	α-helix	trans	-62.7	-55.7	-179.2	-176.3	176	-0.3	0	0	111.4	Q247 A248 R249 S253 S254 Q255	Q247-Q251 PolarHBondContact O-N 2.94Å; A248-Q251 PolarHBondContact O-N 3.34Å; R249-Q251 VanDerWaalsContact C-N 3.32Å; R249-Q251 PolarHBondContact O-N 3.43Å; Q251-S253 PolarHBondContact O-N 3.47Å; Q251-S254 PolarHBondContact O-N 3.48Å; Q251-Q255 WeakPolarHBondContact O-CG 3.44Å; Q251-Q255 PolarHBondContact O-N 3.49Å
252	E	87.8	Confident	85.9	Confident	51 Å²	51	45.8 Å²	45.8	24%	0.238	24%	0.235	C	C	.	.	H	α-helix	trans	-59.3	-46.4	-177.2	-177.4	177.1	-124.6	0	0	112.2	A248 Q255 K256 K384 Y422	A248-E252 WeakPolarHBondContact O-CB 3.3Å; A248-E252 PolarHBondContact O-N 2.72Å; E252-Q255 WeakPolarHBondContact O-CB 3.23Å; E252-Q255 PolarHBondContact O-N 3.38Å; E252-K256 PolarHBondContact O-N 2.79Å; E252-K384 WeakPolarHBondContact OE1-CE 3.23Å; E252-K384 IonicContact OE1-NZ 3.67Å; E252-K384 PolarHBondContact OE1-NZ 2.52Å; E252-K384 IonicContact OE2-NZ 2.69Å; E252-K384 PolarHBondContact OE2-NZ 2.96Å; E252-Y422 PolarHBondContact OE1-OH 3.47Å
253	S	88.7	Confident	86.4	Confident	3 Å²	3	42.9 Å²	42.9	2%	0.021	22%	0.218	C	C	.	.	H	α-helix	trans	-69.7	-36.5	-178.5	-168.3	0	0	0	0	111.9	E221 A225 R249 Q251 Q255 K256 V257	E221-S253 PolarHBondContact O-OG 3.09Å; E221-S253 WeakPolarHBondContact OE2-CB 3.45Å; E221-S253 PolarHBondContact OE2-OG 2.89Å; A225-S253 PolarHBondContact N-OG 3.41Å; R249-S253 WeakPolarHBondContact O-CB 3.25Å; R249-S253 PolarHBondContact O-N 3.3Å; Q251-S253 PolarHBondContact O-N 3.47Å; S253-Q255 VanDerWaalsContact C-N 3.33Å; S253-Q255 PolarHBondContact O-N 3.39Å; S253-K256 WeakPolarHBondContact O-CB 3.45Å; S253-K256 PolarHBondContact O-N 3.24Å; S253-V257 WeakPolarHBondContact O-CG2 3.45Å; S253-V257 PolarHBondContact O-N 2.96Å
254	S	88.7	Confident	86.5	Confident	45 Å²	45	41.7 Å²	41.7	32%	0.315	21%	0.211	S	C	.	.	H	α-helix	trans	-62.4	-40.2	169.7	-56.8	0	0	0	0	111.7	V250 Q251 K256 V257 D258	V250-S254 WeakPolarHBondContact O-CB 3.5Å; V250-S254 PolarHBondContact O-N 3.38Å; V250-S254 PolarHBondContact O-OG 3.47Å; Q251-S254 PolarHBondContact O-N 3.48Å; S254-K256 VanDerWaalsContact C-N 3.34Å; S254-K256 PolarHBondContact O-N 2.91Å; S254-V257 PolarHBondContact O-N 3.4Å; S254-D258 PolarHBondContact O-N 2.81Å; S254-D258 VanDerWaalsContact O-N 3.14Å
255	Q	90	Very high	86.6	Confident	19 Å²	19	42.1 Å²	42.1	9%	0.089	21%	0.208	C	C	.	.	H	α-helix	trans	-63.8	-38.4	176.2	-70.3	-171	-27.2	0	0	112.1	Q251 E252 S253 D258 L259 L429	Q251-Q255 WeakPolarHBondContact O-CG 3.44Å; Q251-Q255 PolarHBondContact O-N 3.49Å; E252-Q255 WeakPolarHBondContact O-CB 3.23Å; E252-Q255 PolarHBondContact O-N 3.38Å; S253-Q255 VanDerWaalsContact C-N 3.33Å; S253-Q255 PolarHBondContact O-N 3.39Å; Q255-D258 PolarHBondContact O-N 3.35Å; Q255-L259 WeakPolarHBondContact O-CG 3.24Å; Q255-L259 PolarHBondContact O-N 2.9Å; Q255-L429 HydrophobicContact CB-CB 4.21Å; Q255-L429 HydrophobicContact CB-CD2 3.89Å
256	K	90.6	Very high	86.7	Confident	1 Å²	1	42.2 Å²	42.2	0%	0.004	21%	0.205	C	C	.	.	H	α-helix	trans	-63.2	-42.1	172	-70.4	176.5	169.8	-178.5	0	112.6	E221 E252 S253 S254 D258 L259 L260 E418 L429 V432 F434	E221-K256 HydrophobicContact CB-CB 4.48Å; E221-K256 HydrophobicContact CG-CB 4.1Å; E221-K256 HydrophobicContact CG-CD 3.98Å; E221-K256 WeakPolarHBondContact OE1-CD 3.28Å; E221-K256 WeakPolarHBondContact OE1-CE 3.45Å; E221-K256 IonicContact OE1-NZ 3.5Å; E221-K256 PolarHBondContact OE1-NZ 2.96Å; E221-K256 WeakPolarHBondContact OE2-CD 3.43Å; E221-K256 IonicContact OE2-NZ 3.44Å; E252-K256 PolarHBondContact O-N 2.79Å; S253-K256 WeakPolarHBondContact O-CB 3.45Å; S253-K256 PolarHBondContact O-N 3.24Å; S254-K256 VanDerWaalsContact C-N 3.34Å; S254-K256 PolarHBondContact O-N 2.91Å; K256-D258 VanDerWaalsContact C-N 3.33Å; K256-D258 PolarHBondContact O-N 3.13Å; K256-L259 PolarHBondContact O-N 2.94Å; K256-L260 WeakPolarHBondContact O-CB 3.47Å; K256-L260 VanDerWaalsContact O-CG 3.31Å; K256-L260 WeakPolarHBondContact O-CG 3.29Å; K256-L260 PolarHBondContact O-N 2.94Å; K256-E418 WeakPolarHBondContact CE-OE1 3.35Å; K256-E418 WeakPolarHBondContact CE-OE2 3.45Å; K256-E418 VanDerWaalsContact NZ-CD 3.32Å; K256-E418 IonicContact NZ-OE1 3.73Å; K256-E418 PolarHBondContact NZ-OE1 3.16Å; K256-E418 IonicContact NZ-OE2 2.67Å; K256-E418 PolarHBondContact NZ-OE2 3.43Å; K256-L429 HydrophobicContact CG-CD2 3.81Å; K256-V432 HydrophobicContact CG-CG1 4.31Å; K256-F434 HydrophobicContact CD-CZ 4.46Å
257	V	86.9	Confident	86.6	Confident	13 Å²	13	44.9 Å²	44.9	8%	0.079	21%	0.214	C	C	.	.	H	α-helix	trans	-59.7	-42.5	177.6	169.3	0	0	0	0	111.3	M218 E221 S253 S254 L259 L260 R261	M218-V257 HydrophobicContact CG-CG1 4.2Å; E221-V257 HydrophobicContact CB-CG2 3.65Å; S253-V257 WeakPolarHBondContact O-CG2 3.45Å; S253-V257 PolarHBondContact O-N 2.96Å; S254-V257 PolarHBondContact O-N 3.4Å; V257-L259 PolarHBondContact O-N 3.13Å; V257-L260 PolarHBondContact O-N 2.82Å; V257-R261 WeakPolarHBondContact O-CB 3.42Å; V257-R261 PolarHBondContact O-N 3.38Å
258	D	88.8	Confident	86	Confident	34 Å²	34	40.9 Å²	40.9	18%	0.182	20%	0.196	C	C	.	.	H	α-helix	trans	-62.8	-39.9	177.1	-64.1	-29.8	0	0	0	112.8	S254 Q255 K256 R261 L262 R341	S254-D258 PolarHBondContact O-N 2.81Å; S254-D258 VanDerWaalsContact O-N 3.14Å; Q255-D258 PolarHBondContact O-N 3.35Å; K256-D258 VanDerWaalsContact C-N 3.33Å; K256-D258 PolarHBondContact O-N 3.13Å; D258-R261 PolarHBondContact O-N 2.99Å; D258-R261 IonicContact OD1-NH1 2.74Å; D258-R261 PolarHBondContact OD1-NH1 3.26Å; D258-L262 PolarHBondContact O-N 3.15Å; D258-L262 VanDerWaalsContact O-N 3.14Å; D258-R341 IonicContact OD2-CZ 3.1Å; D258-R341 VanDerWaalsContact OD2-CZ 3.26Å; D258-R341 IonicContact OD2-NH1 2.78Å; D258-R341 PolarHBondContact OD2-NH1 3.2Å; D258-R341 IonicContact OD2-NH2 2.63Å; D258-R341 PolarHBondContact OD2-NH2 3.26Å
259	L	90.1	Very high	85.4	Confident	0 Å²	0	42.5 Å²	42.5	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-68.9	-40.8	177.2	-68.2	-179	0	0	0	112.5	Q255 K256 V257 R261 L262 S263 V338 L429 S430 V432 P454	Q255-L259 WeakPolarHBondContact O-CG 3.24Å; Q255-L259 PolarHBondContact O-N 2.9Å; K256-L259 PolarHBondContact O-N 2.94Å; V257-L259 PolarHBondContact O-N 3.13Å; L259-R261 VanDerWaalsContact C-N 3.35Å; L259-L262 PolarHBondContact O-N 2.87Å; L259-S263 PolarHBondContact O-N 3.29Å; L259-S263 VanDerWaalsContact O-N 3.1Å; L259-V338 HydrophobicContact CD2-CG1 4.08Å; L259-L429 HydrophobicContact CD1-CD2 3.86Å; L259-L429 HydrophobicContact CD1-CG 3.79Å; L259-S430 WeakPolarHBondContact CD2-O 3.31Å; L259-V432 HydrophobicContact CD1-CG1 4.43Å; L259-P454 HydrophobicContact CD2-CG 4.21Å
260	L	88.6	Confident	85	Confident	1 Å²	1	41.5 Å²	41.5	1%	0.005	21%	0.21	C	C	.	.	H	α-helix	trans	-67.9	-35.5	176	-70.2	167.2	0	0	0	111.7	L214 R217 M218 E221 K256 V257 S263 L264	L214-L260 HydrophobicContact CD2-CD2 3.86Å; R217-L260 HydrophobicContact CB-CD1 3.83Å; R217-L260 HydrophobicContact CB-CD2 4.02Å; M218-L260 HydrophobicContact CB-CB 4.31Å; E221-L260 HydrophobicContact CG-CD1 4.24Å; K256-L260 WeakPolarHBondContact O-CB 3.47Å; K256-L260 VanDerWaalsContact O-CG 3.31Å; K256-L260 WeakPolarHBondContact O-CG 3.29Å; K256-L260 PolarHBondContact O-N 2.94Å; V257-L260 PolarHBondContact O-N 2.82Å; L260-S263 PolarHBondContact O-N 2.97Å; L260-L264 WeakPolarHBondContact O-CG 3.31Å; L260-L264 PolarHBondContact O-N 3.26Å
261	R	87.8	Confident	84.2	Confident	81 Å²	81	40.7 Å²	40.7	31%	0.306	20%	0.204	S	C	.	.	H	α-helix	trans	-61	-49.8	173	-165.4	-169.7	-71.6	101.7	3.7	111.4	M218 V257 D258 L259 S263 L264 E265 L285	M218-R261 HydrophobicContact SD-CB 4.3Å; V257-R261 WeakPolarHBondContact O-CB 3.42Å; V257-R261 PolarHBondContact O-N 3.38Å; D258-R261 PolarHBondContact O-N 2.99Å; D258-R261 IonicContact OD1-NH1 2.74Å; D258-R261 PolarHBondContact OD1-NH1 3.26Å; L259-R261 VanDerWaalsContact C-N 3.35Å; R261-S263 VanDerWaalsContact C-N 3.26Å; R261-S263 PolarHBondContact O-N 3.01Å; R261-L264 WeakPolarHBondContact O-CB 3.47Å; R261-L264 PolarHBondContact O-N 2.98Å; R261-L264 VanDerWaalsContact O-N 3.1Å; R261-E265 WeakPolarHBondContact CD-OE1 3.38Å; R261-E265 WeakPolarHBondContact CG-OE1 3.44Å; R261-E265 WeakPolarHBondContact O-CG 3.5Å; R261-E265 PolarHBondContact O-N 3.31Å; R261-L285 HydrophobicContact CG-CD2 3.46Å; R261-L285 VanDerWaalsContact CG-CD2 3.46Å
262	L	86.8	Confident	83.6	Confident	29 Å²	29	39 Å²	39	15%	0.152	20%	0.204	C	C	.	.	H	α-helix	trans	-63	-31.1	177	179.7	58.6	0	0	0	112.7	D258 L259 R266 L335 P339 P454	D258-L262 PolarHBondContact O-N 3.15Å; D258-L262 VanDerWaalsContact O-N 3.14Å; L259-L262 PolarHBondContact O-N 2.87Å; L262-R266 HydrophobicContact CD1-CG 4.41Å; L262-R266 WeakPolarHBondContact O-CB 3.38Å; L262-R266 VanDerWaalsContact O-CG 3.26Å; L262-R266 WeakPolarHBondContact O-CG 3.13Å; L262-R266 PolarHBondContact O-N 3.43Å; L262-L335 HydrophobicContact CD2-CD2 3.61Å; L262-P339 HydrophobicContact CB-CG 4.29Å; L262-P339 HydrophobicContact CD2-CG 3.61Å; L262-P339 HydrophobicContact CG-CG 4.43Å; L262-P454 HydrophobicContact CB-CB 4.19Å; L262-P454 HydrophobicContact CB-CG 4.34Å; L262-P454 HydrophobicContact CD2-CB 4.26Å; L262-P454 HydrophobicContact CD2-CG 3.86Å; L262-P454 HydrophobicContact CG-CB 4.02Å; L262-P454 HydrophobicContact CG-CG 4.16Å
263	S	86.9	Confident	82.3	Confident	2 Å²	2	43.6 Å²	43.6	1%	0.014	23%	0.225	C	C	.	.	H	α-helix	trans	-67.5	-43.9	172	-175	0	0	0	0	111.8	L214 L259 L260 R261 E265 R266 R267 E453	L214-S263 WeakPolarHBondContact CD1-OG 3.45Å; L259-S263 PolarHBondContact O-N 3.29Å; L259-S263 VanDerWaalsContact O-N 3.1Å; L260-S263 PolarHBondContact O-N 2.97Å; R261-S263 VanDerWaalsContact C-N 3.26Å; R261-S263 PolarHBondContact O-N 3.01Å; S263-E265 PolarHBondContact O-N 2.89Å; S263-R266 PolarHBondContact O-N 3.16Å; S263-R267 WeakPolarHBondContact O-CG 3.35Å; S263-R267 PolarHBondContact O-N 2.93Å; S263-E453 WeakPolarHBondContact CB-OE2 3.31Å; S263-E453 PolarHBondContact OG-OE2 2.97Å
264	L	82.7	Confident	80.8	Confident	1 Å²	1	51.3 Å²	51.3	1%	0.005	27%	0.266	C	S	.	.	H	α-helix	trans	-60.5	-43.6	174.2	-74.5	165	0	0	0	112.4	V211 L214 L215 M218 L260 R261 R266 R267 L268	V211-L264 HydrophobicContact CG1-CD2 4.05Å; L214-L264 HydrophobicContact CB-CD2 3.51Å; L214-L264 HydrophobicContact CB-CG 3.84Å; L214-L264 HydrophobicContact CD1-CD2 4.29Å; L215-L264 HydrophobicContact CD2-CD1 3.87Å; L215-L264 HydrophobicContact CD2-CD2 4.13Å; L215-L264 HydrophobicContact CG-CD1 4.39Å; L215-L264 HydrophobicContact CG-CD2 3.91Å; M218-L264 HydrophobicContact CB-CD1 4.39Å; M218-L264 HydrophobicContact CE-CD1 3.7Å; M218-L264 HydrophobicContact SD-CD1 3.71Å; L260-L264 WeakPolarHBondContact O-CG 3.31Å; L260-L264 PolarHBondContact O-N 3.26Å; R261-L264 WeakPolarHBondContact O-CB 3.47Å; R261-L264 PolarHBondContact O-N 2.98Å; R261-L264 VanDerWaalsContact O-N 3.1Å; L264-R266 VanDerWaalsContact C-N 3.34Å; L264-R266 PolarHBondContact O-N 3.39Å; L264-R267 PolarHBondContact O-N 3.26Å; L264-L268 VanDerWaalsContact O-CB 3.31Å; L264-L268 WeakPolarHBondContact O-CB 3.4Å; L264-L268 PolarHBondContact O-N 2.96Å
265	E	84.2	Confident	79.8	Confident	87 Å²	87	51.4 Å²	51.4	41%	0.407	26%	0.261	S	S	.	.	H	α-helix	trans	-60.2	-41.2	175.4	-70.6	163.4	-170.5	0	0	112	R261 S263 L268 A269 L285	R261-E265 WeakPolarHBondContact CD-OE1 3.38Å; R261-E265 WeakPolarHBondContact CG-OE1 3.44Å; R261-E265 WeakPolarHBondContact O-CG 3.5Å; R261-E265 PolarHBondContact O-N 3.31Å; S263-E265 PolarHBondContact O-N 2.89Å; E265-L268 WeakPolarHBondContact O-CB 3.45Å; E265-A269 PolarHBondContact O-N 3.03Å; E265-L285 HydrophobicContact CG-CD1 4.29Å
266	R	83.9	Confident	78.2	Confident	86 Å²	86	55.5 Å²	55.5	33%	0.325	29%	0.29	S	S	.	.	H	α-helix	trans	-65.7	-47.1	175.3	-74.8	169.9	173.4	-146.4	-10.7	112.4	L262 S263 L264 L268 A269 P454	L262-R266 HydrophobicContact CD1-CG 4.41Å; L262-R266 WeakPolarHBondContact O-CB 3.38Å; L262-R266 VanDerWaalsContact O-CG 3.26Å; L262-R266 WeakPolarHBondContact O-CG 3.13Å; L262-R266 PolarHBondContact O-N 3.43Å; S263-R266 PolarHBondContact O-N 3.16Å; L264-R266 VanDerWaalsContact C-N 3.34Å; L264-R266 PolarHBondContact O-N 3.39Å; R266-L268 VanDerWaalsContact C-N 3.29Å; R266-L268 PolarHBondContact O-N 3.12Å; R266-A269 PolarHBondContact O-N 3.35Å; R266-P454 PolarHBondContact NH1-O 2.9Å
267	R	79.6	Confident	76.7	Confident	61 Å²	61	57.9 Å²	57.9	23%	0.23	30%	0.301	C	S	.	.	H	α-helix	trans	-72.5	-21	179	-59.3	-55.6	179.3	177.4	0	113.2	V211 L214 S263 L264 E270 E451	V211-R267 HydrophobicContact CG2-CB 3.97Å; L214-R267 HydrophobicContact CD1-CG 4.18Å; S263-R267 WeakPolarHBondContact O-CG 3.35Å; S263-R267 PolarHBondContact O-N 2.93Å; L264-R267 PolarHBondContact O-N 3.26Å; R267-E270 WeakPolarHBondContact CD-OE2 3.34Å; R267-E270 IonicContact CZ-OE1 3.73Å; R267-E270 IonicContact CZ-OE2 3.4Å; R267-E270 IonicContact NE-OE2 3.55Å; R267-E270 VanDerWaalsContact NH1-CD 3.26Å; R267-E270 IonicContact NH1-OE1 3.17Å; R267-E270 PolarHBondContact NH1-OE1 2.9Å; R267-E270 IonicContact NH1-OE2 2.73Å; R267-E270 PolarHBondContact NH1-OE2 3.48Å; R267-E270 PolarHBondContact O-N 3.22Å; R267-E451 IonicContact NH2-OE2 2.71Å
268	L	72.8	Confident	75.7	Confident	19 Å²	19	60.1 Å²	60.1	10%	0.099	31%	0.308	C	S	.	.	H	α-helix	trans	-65.4	-38.9	168.5	-99.7	179.3	0	0	0	112.8	L264 E265 R266 E270 L271 R278 I281 L285	L264-L268 VanDerWaalsContact O-CB 3.31Å; L264-L268 WeakPolarHBondContact O-CB 3.4Å; L264-L268 PolarHBondContact O-N 2.96Å; E265-L268 WeakPolarHBondContact O-CB 3.45Å; R266-L268 VanDerWaalsContact C-N 3.29Å; R266-L268 PolarHBondContact O-N 3.12Å; L268-E270 PolarHBondContact O-N 3.39Å; L268-L271 PolarHBondContact O-N 3.38Å; L268-L271 VanDerWaalsContact O-N 3.15Å; L268-R278 HydrophobicContact CD2-CB 4.24Å; L268-R278 HydrophobicContact CD2-CG 3.9Å; L268-I281 HydrophobicContact CD1-CB 4.14Å; L268-I281 HydrophobicContact CD1-CG2 3.64Å; L268-I281 HydrophobicContact CD2-CB 4.03Å; L268-I281 HydrophobicContact CD2-CD1 3.57Å; L268-I281 HydrophobicContact CD2-CG1 4.44Å; L268-I281 HydrophobicContact CD2-CG2 4.23Å; L268-I281 HydrophobicContact CG-CB 4.22Å; L268-I281 HydrophobicContact CG-CD1 4.15Å; L268-I281 HydrophobicContact CG-CG2 3.86Å; L268-L285 HydrophobicContact CD1-CD1 3.55Å
269	A	72.1	Confident	74.4	Confident	86 Å²	86	61.7 Å²	61.7	71%	0.711	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.6	-13.9	177.7	0	0	0	0	0	113.3	E265 R266	E265-A269 PolarHBondContact O-N 3.03Å; R266-A269 PolarHBondContact O-N 3.35Å
270	E	74.3	Confident	72.9	Confident	103 Å²	103	64.1 Å²	64.1	48%	0.481	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.1	-6.8	174.3	-63	171.7	-178.5	0	0	112.7	R267 L268	R267-E270 WeakPolarHBondContact CD-OE2 3.34Å; R267-E270 IonicContact CZ-OE1 3.73Å; R267-E270 IonicContact CZ-OE2 3.4Å; R267-E270 IonicContact NE-OE2 3.55Å; R267-E270 VanDerWaalsContact NH1-CD 3.26Å; R267-E270 IonicContact NH1-OE1 3.17Å; R267-E270 PolarHBondContact NH1-OE1 2.9Å; R267-E270 IonicContact NH1-OE2 2.73Å; R267-E270 PolarHBondContact NH1-OE2 3.48Å; R267-E270 PolarHBondContact O-N 3.22Å; L268-E270 PolarHBondContact O-N 3.39Å
271	L	70.3	Confident	71.6	Confident	13 Å²	13	64.1 Å²	64.1	7%	0.068	35%	0.346	C	S	.	.	S	Bend	trans	-100.3	140.8	-179.8	-69.9	173.3	0	0	0	112.7	V207 L268 R278 I281	V207-L271 HydrophobicContact CB-CD2 4.3Å; V207-L271 HydrophobicContact CG1-CD2 3.79Å; V207-L271 HydrophobicContact CG1-CG 4.13Å; L268-L271 PolarHBondContact O-N 3.38Å; L268-L271 VanDerWaalsContact O-N 3.15Å; L271-R278 PolarHBondContact O-NH1 3.13Å; L271-I281 HydrophobicContact CD1-CD1 4.25Å
272	P	73.2	Confident	70.5	Confident	84 Å²	84	64.5 Å²	64.5	55%	0.545	35%	0.353	S	S	.	.			trans	-52.9	152.5	173.3	-26.2	34.9	0	0	0	113.5	D274 H275 R278	P272-D274 VanDerWaalsContact C-N 3.35Å; P272-D274 PolarHBondContact O-N 3.18Å; P272-H275 VanDerWaalsContact O-CB 3.28Å; P272-H275 WeakPolarHBondContact O-CB 3.48Å; P272-H275 PolarHBondContact O-N 3.4Å; P272-R278 WeakPolarHBondContact O-CD 3.39Å
273	E	61.8	Low	69.2	Low	148 Å²	148	68.9 Å²	68.9	69%	0.692	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.8	-36.6	-173.7	-51	-133.4	107.8	0	0	112.5	H275 R278	E273-H275 PolarHBondContact O-N 3.32Å; E273-R278 IonicContact OE1-CZ 2.67Å; E273-R278 IonicContact OE1-NH1 3.9Å; E273-R278 IonicContact OE1-NH2 3.02Å; E273-R278 PolarHBondContact OE1-NH2 2.63Å
274	D	57.1	Low	67.8	Low	165 Å²	165	71.7 Å²	71.7	88%	0.882	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80	6.5	-179.9	-52.7	-61.7	0	0	0	114.1	P272	P272-D274 VanDerWaalsContact C-N 3.35Å; P272-D274 PolarHBondContact O-N 3.18Å
275	H	66.5	Low	66.9	Low	46 Å²	46	73.5 Å²	73.5	21%	0.213	40%	0.402	C	S	.	.			trans	-76.6	127.8	-170.1	-158.9	-100.3	0	0	0	112.8	E208 P272 E273 M277 R278	E208-H275 IonicContact OE1-CE1 3.29Å; E208-H275 PolarHBondContact OE1-CE1 3Å; E208-H275 IonicContact OE1-NE2 2.72Å; E208-H275 PolarHBondContact OE1-NE2 2.66Å; P272-H275 VanDerWaalsContact O-CB 3.28Å; P272-H275 WeakPolarHBondContact O-CB 3.48Å; P272-H275 PolarHBondContact O-N 3.4Å; E273-H275 PolarHBondContact O-N 3.32Å; H275-M277 VanDerWaalsContact C-N 3.3Å; H275-M277 PolarHBondContact O-N 3.06Å; H275-M277 VanDerWaalsContact O-N 3.16Å; H275-R278 HydrophobicContact CB-CB 4.44Å; H275-R278 WeakPolarHBondContact O-CB 3.28Å; H275-R278 PolarHBondContact O-N 2.9Å
276	P	58.2	Low	65.4	Low	106 Å²	106	76.6 Å²	76.6	69%	0.688	42%	0.416	S	S	*	.	H	α-helix	trans	-61.2	-33.6	-171.3	22	-33.6	0	0	0	113.9	R278	P276-R278 VanDerWaalsContact C-N 3.26Å; P276-R278 PolarHBondContact O-N 3.39Å
277	M	58	Low	63.7	Low	50 Å²	50	77.9 Å²	77.9	25%	0.246	43%	0.429	C	S	.	.	H	α-helix	trans	-65.4	-27	174.7	-74	-176.4	59.3	0	0	113.4	E208 V211 H275 A279 A280 I281	E208-M277 HydrophobicContact CB-CE 4.07Å; E208-M277 HydrophobicContact CB-SD 3.68Å; E208-M277 HydrophobicContact CG-CE 4.33Å; E208-M277 HydrophobicContact CG-SD 3.53Å; E208-M277 VanDerWaalsContact CG-SD 3.53Å; V211-M277 HydrophobicContact CB-CE 4.28Å; V211-M277 HydrophobicContact CG1-CE 3.89Å; H275-M277 VanDerWaalsContact C-N 3.3Å; H275-M277 PolarHBondContact O-N 3.06Å; H275-M277 VanDerWaalsContact O-N 3.16Å; M277-A279 VanDerWaalsContact C-N 3.29Å; M277-A279 PolarHBondContact O-N 2.93Å; M277-A280 PolarHBondContact O-N 3.23Å; M277-A280 VanDerWaalsContact O-N 3.16Å; M277-I281 HydrophobicContact CB-CD1 4.14Å; M277-I281 WeakPolarHBondContact O-CD1 3.31Å; M277-I281 WeakPolarHBondContact O-CG1 3.3Å; M277-I281 PolarHBondContact O-N 3.24Å
278	R	65.4	Low	62.2	Low	60 Å²	60	78.3 Å²	78.3	23%	0.226	45%	0.452	C	S	.	.	H	α-helix	trans	-59.6	-40.8	-177.8	-176.3	158.3	168.2	167.1	-13.7	111.4	L268 L271 P272 E273 H275 P276 M282	L268-R278 HydrophobicContact CD2-CB 4.24Å; L268-R278 HydrophobicContact CD2-CG 3.9Å; L271-R278 PolarHBondContact O-NH1 3.13Å; P272-R278 WeakPolarHBondContact O-CD 3.39Å; E273-R278 IonicContact OE1-CZ 2.67Å; E273-R278 IonicContact OE1-NH1 3.9Å; E273-R278 IonicContact OE1-NH2 3.02Å; E273-R278 PolarHBondContact OE1-NH2 2.63Å; H275-R278 HydrophobicContact CB-CB 4.44Å; H275-R278 WeakPolarHBondContact O-CB 3.28Å; H275-R278 PolarHBondContact O-N 2.9Å; P276-R278 VanDerWaalsContact C-N 3.26Å; P276-R278 PolarHBondContact O-N 3.39Å; R278-M282 WeakPolarHBondContact O-CG 3.43Å; R278-M282 PolarHBondContact O-N 3.5Å
279	A	61.2	Low	60.5	Low	67 Å²	67	83 Å²	83	55%	0.554	48%	0.481	S	S	*	.	H	α-helix	trans	-64	-47.9	173.7	0	0	0	0	0	112.7	M277 I281 M282 E283	M277-A279 VanDerWaalsContact C-N 3.29Å; M277-A279 PolarHBondContact O-N 2.93Å; A279-I281 VanDerWaalsContact C-N 3.32Å; A279-I281 PolarHBondContact O-N 2.91Å; A279-M282 PolarHBondContact O-N 3.16Å; A279-E283 PolarHBondContact O-N 3.39Å
280	A	59.1	Low	58.4	Low	51 Å²	51	82.6 Å²	82.6	42%	0.421	48%	0.477	S	S	.	.	H	α-helix	trans	-65.7	-31.9	-178.8	0	0	0	0	0	113.3	M277 S284	M277-A280 PolarHBondContact O-N 3.23Å; M277-A280 VanDerWaalsContact O-N 3.16Å; A280-S284 WeakPolarHBondContact O-CB 3.03Å; A280-S284 PolarHBondContact O-N 3.47Å; A280-S284 VanDerWaalsContact O-N 3.16Å; A280-S284 PolarHBondContact O-OG 3.05Å
281	I	61.3	Low	56.3	Low	2 Å²	2	82.8 Å²	82.8	1%	0.01	49%	0.488	C	S	.	.	H	α-helix	trans	-74.8	-40.6	174.3	-52.3	147.9	0	0	0	110	V211 L215 L268 L271 M277 A279 S284 L285	V211-I281 HydrophobicContact CG1-CD1 3.59Å; V211-I281 HydrophobicContact CG1-CG1 3.85Å; L215-I281 HydrophobicContact CD1-CG1 4.32Å; L268-I281 HydrophobicContact CD1-CB 4.14Å; L268-I281 HydrophobicContact CD1-CG2 3.64Å; L268-I281 HydrophobicContact CD2-CB 4.03Å; L268-I281 HydrophobicContact CD2-CD1 3.57Å; L268-I281 HydrophobicContact CD2-CG1 4.44Å; L268-I281 HydrophobicContact CD2-CG2 4.23Å; L268-I281 HydrophobicContact CG-CB 4.22Å; L268-I281 HydrophobicContact CG-CD1 4.15Å; L268-I281 HydrophobicContact CG-CG2 3.86Å; L271-I281 HydrophobicContact CD1-CD1 4.25Å; M277-I281 HydrophobicContact CB-CD1 4.14Å; M277-I281 WeakPolarHBondContact O-CD1 3.31Å; M277-I281 WeakPolarHBondContact O-CG1 3.3Å; M277-I281 PolarHBondContact O-N 3.24Å; A279-I281 VanDerWaalsContact C-N 3.32Å; A279-I281 PolarHBondContact O-N 2.91Å; I281-S284 CarbonylContact O-C 3.53Å; I281-S284 WeakPolarHBondContact O-CB 3.4Å; I281-S284 PolarHBondContact O-N 3.39Å; I281-L285 HydrophobicContact CG2-CD1 4.04Å; I281-L285 HydrophobicContact CG2-CG 4.34Å; I281-L285 VanDerWaalsContact O-CG 3.27Å; I281-L285 WeakPolarHBondContact O-CG 3.41Å; I281-L285 PolarHBondContact O-N 2.99Å
282	M	64.1	Low	54.3	Low	88 Å²	88	87.5 Å²	87.5	43%	0.433	52%	0.522	S	S	.	.	H	α-helix	trans	-58.5	-48.3	173.4	-78.3	179.5	61	0	0	111.9	R278 A279 S284 L285 E286	R278-M282 WeakPolarHBondContact O-CG 3.43Å; R278-M282 PolarHBondContact O-N 3.5Å; A279-M282 PolarHBondContact O-N 3.16Å; M282-S284 VanDerWaalsContact C-N 3.26Å; M282-S284 PolarHBondContact O-N 2.95Å; M282-L285 PolarHBondContact O-N 2.89Å; M282-E286 WeakPolarHBondContact O-CG 3.21Å; M282-E286 PolarHBondContact O-N 3.13Å
283	E	60.8	Low	52.2	Low	122 Å²	122	94.8 Å²	94.8	57%	0.57	54%	0.54	S	S	*	.	H	α-helix	trans	-56.1	-41.1	174.3	-177.8	177.8	-157.6	0	0	111.8	A279 L285 L287	A279-E283 PolarHBondContact O-N 3.39Å; E283-L285 VanDerWaalsContact C-N 3.32Å; E283-L285 PolarHBondContact O-N 3.1Å; E283-L287 HydrophobicContact CG-CD1 3.73Å; E283-L287 HydrophobicContact CG-CG 4.49Å; E283-L287 WeakPolarHBondContact O-CB 3.46Å; E283-L287 WeakPolarHBondContact O-CG 3.32Å; E283-L287 PolarHBondContact O-N 2.85Å
284	S	57.8	Low	50.5	Low	61 Å²	61	90.3 Å²	90.3	43%	0.427	53%	0.533	S	S	.	.	H	α-helix	trans	-69.2	-24.5	176.5	-60.4	0	0	0	0	114.2	A280 I281 M282	A280-S284 WeakPolarHBondContact O-CB 3.03Å; A280-S284 PolarHBondContact O-N 3.47Å; A280-S284 VanDerWaalsContact O-N 3.16Å; A280-S284 PolarHBondContact O-OG 3.05Å; I281-S284 CarbonylContact O-C 3.53Å; I281-S284 WeakPolarHBondContact O-CB 3.4Å; I281-S284 PolarHBondContact O-N 3.39Å; M282-S284 VanDerWaalsContact C-N 3.26Å; M282-S284 PolarHBondContact O-N 2.95Å
285	L	62.4	Low	49.1	Very low	39 Å²	39	89.4 Å²	89.4	20%	0.204	53%	0.534	C	S	.	.	H	α-helix	trans	-86.6	-39.4	177.5	-72.1	169.8	0	0	0	111.9	R261 E265 L268 I281 M282 E283	R261-L285 HydrophobicContact CG-CD2 3.46Å; R261-L285 VanDerWaalsContact CG-CD2 3.46Å; E265-L285 HydrophobicContact CG-CD1 4.29Å; L268-L285 HydrophobicContact CD1-CD1 3.55Å; I281-L285 HydrophobicContact CG2-CD1 4.04Å; I281-L285 HydrophobicContact CG2-CG 4.34Å; I281-L285 VanDerWaalsContact O-CG 3.27Å; I281-L285 WeakPolarHBondContact O-CG 3.41Å; I281-L285 PolarHBondContact O-N 2.99Å; M282-L285 PolarHBondContact O-N 2.89Å; E283-L285 VanDerWaalsContact C-N 3.32Å; E283-L285 PolarHBondContact O-N 3.1Å
286	E	53.3	Low	47.2	Very low	152 Å²	152	95.4 Å²	95.4	71%	0.71	57%	0.567	S	S	*	*	H	α-helix	trans	-74.3	-40.5	-177.2	-72.1	-177	179.4	0	0	113.3	M282	M282-E286 WeakPolarHBondContact O-CG 3.21Å; M282-E286 PolarHBondContact O-N 3.13Å
287	L	49.2	Very low	45.6	Very low	113 Å²	113	99.6 Å²	99.6	59%	0.592	58%	0.575	S	S	*	*	S	Bend	trans	-74.4	-29.6	-170.9	-74.2	174.3	0	0	0	114.5	E283 V289	E283-L287 HydrophobicContact CG-CD1 3.73Å; E283-L287 HydrophobicContact CG-CG 4.49Å; E283-L287 WeakPolarHBondContact O-CB 3.46Å; E283-L287 WeakPolarHBondContact O-CG 3.32Å; E283-L287 PolarHBondContact O-N 2.85Å; L287-V289 PolarHBondContact O-N 3.39Å
288	G	47.7	Very low	44.3	Very low	69 Å²	69	106.9 Å²	106.9	71%	0.711	61%	0.605	S	S	*	*			trans	59.1	4.9	175.1	0	0	0	0	0	117
289	V	35.8	Very low	42.4	Very low	119 Å²	119	112.7 Å²	112.7	72%	0.721	64%	0.635	S	S	*	*	S	Bend	trans	-141.5	146.5	-172.1	179.3	0	0	0	0	108.3	L287	L287-V289 PolarHBondContact O-N 3.39Å
290	A	29.6	Very low	40.7	Very low	76 Å²	76	114.9 Å²	114.9	63%	0.628	65%	0.646	S	S	*	*			trans	-64.5	141.3	179.2	0	0	0	0	0	112.1	S292	A290-S292 PolarHBondContact O-N 3.28Å
291	P	29.9	Very low	39.1	Very low	108 Å²	108	117.6 Å²	117.6	70%	0.701	67%	0.668	S	S	*	*			trans	-66	106	172.1	26.7	-33.2	0	0	0	109.9	Y293	P291-Y293 PolarHBondContact O-N 2.77Å
292	S	27.9	Very low	37.4	Very low	111 Å²	111	122.1 Å²	122.1	78%	0.776	71%	0.706	S	S	*	*			trans	-77.6	111.1	174.6	40.7	0	0	0	0	109.9	A290 G294	A290-S292 PolarHBondContact O-N 3.28Å; S292-G294 VanDerWaalsContact C-N 3.29Å; S292-G294 PolarHBondContact O-N 3.23Å
293	Y	28.3	Very low	35.7	Very low	237 Å²	237	123.5 Å²	123.5	93%	0.929	72%	0.721	S	S	*	*			trans	-71.1	84.2	174.7	-89	-93.8	0	0	0	110.5	P291	P291-Y293 PolarHBondContact O-N 2.77Å
294	G	26.8	Very low	34.2	Very low	54 Å²	54	123.2 Å²	123.2	56%	0.557	73%	0.733	S	S	*	*			trans	-145.9	77.6	-172.3	0	0	0	0	0	114	S292	S292-G294 VanDerWaalsContact C-N 3.29Å; S292-G294 PolarHBondContact O-N 3.23Å
295	T	28.8	Very low	32.7	Very low	147 Å²	147	125.8 Å²	125.8	90%	0.902	75%	0.751	S	S	*	*			trans	53.8	108.1	164.9	38.6	0	0	0	0	118.8
296	L	25.8	Very low	31.1	Very low	172 Å²	172	129.9 Å²	129.9	90%	0.901	78%	0.782	S	S	*	*			trans	-134.7	164.3	149.5	-108.4	171.6	0	0	0	112
297	K	25.1	Very low	30	Very low	194 Å²	194	127.6 Å²	127.6	84%	0.843	78%	0.783	S	S	*	*			trans	-80.7	154.1	-153	-67	163.8	179.2	168.8	0	114.8
298	K	29.6	Very low	29.1	Very low	203 Å²	203	127.3 Å²	127.3	88%	0.883	79%	0.791	S	S	*	*			trans	-49.5	133.6	163	-75	177.9	171.3	177.9	0	112.2
299	Q	25.2	Very low	28.1	Very low	182 Å²	182	129.4 Å²	129.4	85%	0.85	80%	0.795	S	S	*	*			trans	-158.8	123.2	130.7	-112.9	165.1	46.4	0	0	112.8
300	S	26.8	Very low	27.6	Very low	113 Å²	113	127.2 Å²	127.2	79%	0.79	79%	0.785	S	S	*	*			trans	37.6	134.7	153.4	53.7	0	0	0	0	123.7
301	A	25.8	Very low	27.6	Very low	108 Å²	108	127.3 Å²	127.3	89%	0.893	78%	0.78	S	S	*	*			trans	84.3	145	156.5	0	0	0	0	0	118.3
302	A	24	Very low	27.5	Very low	96 Å²	96	126.8 Å²	126.8	79%	0.793	78%	0.78	S	S	*	*			trans	-123.4	169.1	-176.9	0	0	0	0	0	108.2
303	P	29.4	Very low	27.8	Very low	117 Å²	117	125.9 Å²	125.9	76%	0.76	77%	0.773	S	S	*	*			cis	-134.8	156	47.5	40.1	-23.7	0	0	0	117.3
304	S	29.7	Very low	28.2	Very low	116 Å²	116	120.5 Å²	120.5	81%	0.811	76%	0.755	S	S	*	*			trans	19.9	108.6	152	58.7	0	0	0	0	120.8
305	S	25.3	Very low	28.9	Very low	116 Å²	116	119.7 Å²	119.7	81%	0.811	74%	0.736	S	S	*	*			trans	-141.9	143.5	138.1	60	0	0	0	0	109.1
306	S	30	Very low	29.6	Very low	124 Å²	124	122.7 Å²	122.7	87%	0.867	73%	0.731	S	S	*	*			trans	-142.3	69	-168.1	60.2	0	0	0	0	112.3
307	S	30.4	Very low	30.9	Very low	104 Å²	104	115.3 Å²	115.3	73%	0.727	69%	0.693	S	S	*	*			trans	-154.1	68.4	-168	43.3	0	0	0	0	113.6
308	S	28.4	Very low	32.3	Very low	107 Å²	107	107.8 Å²	107.8	75%	0.748	67%	0.667	S	S	*	*	S	Bend	trans	-150.4	-5.2	174.7	62.5	0	0	0	0	117.5
309	S	26.6	Very low	34	Very low	114 Å²	114	98.7 Å²	98.7	80%	0.797	63%	0.63	S	S	*	*	S	Bend	trans	-97.7	-3.7	-174.7	54.2	0	0	0	0	115.5
310	S	26.7	Very low	36.1	Very low	73 Å²	73	90 Å²	90	51%	0.51	59%	0.589	S	S	.	*			trans	-84.3	-18.7	-170.1	47.1	0	0	0	0	115.5	S312 S313	S310-S312 VanDerWaalsContact C-N 3.28Å; S310-S312 PolarHBondContact O-N 3.38Å; S310-S312 VanDerWaalsContact O-N 3.12Å; S310-S313 PolarHBondContact O-OG 3.34Å; S310-S313 VanDerWaalsContact O-OG 3.11Å
311	S	28.3	Very low	38.3	Very low	77 Å²	77	86.4 Å²	86.4	54%	0.538	56%	0.562	S	S	.	*	G	3₁₀ helix	trans	-67.8	-16.1	-163.9	-38.1	0	0	0	0	116
312	S	29.7	Very low	40.8	Very low	98 Å²	98	82.1 Å²	82.1	69%	0.685	53%	0.528	S	S	*	.	G	3₁₀ helix	trans	-78.3	-18.5	-174.6	60.4	0	0	0	0	114.6	S310	S310-S312 VanDerWaalsContact C-N 3.28Å; S310-S312 PolarHBondContact O-N 3.38Å; S310-S312 VanDerWaalsContact O-N 3.12Å
313	S	32.3	Very low	43.6	Very low	92 Å²	92	82.1 Å²	82.1	64%	0.643	51%	0.508	S	S	*	.	G	3₁₀ helix	trans	-83.3	-17.3	-175	60.4	0	0	0	0	114.5	S310 F315	S310-S313 PolarHBondContact O-OG 3.34Å; S310-S313 VanDerWaalsContact O-OG 3.11Å; S313-F315 VanDerWaalsContact C-N 3.32Å; S313-F315 PolarHBondContact O-N 3.34Å
314	F	36.8	Very low	46.4	Very low	123 Å²	123	76.6 Å²	76.6	54%	0.539	47%	0.472	S	S	.	.	G	3₁₀ helix	trans	-71.1	-15	-171.5	-77	-96	0	0	0	115.8
315	F	42.5	Very low	49.2	Very low	38 Å²	38	74.2 Å²	74.2	17%	0.167	45%	0.448	C	S	.	.	G	3₁₀ helix	trans	-122.7	-1.5	-159.2	-69.5	-76.6	0	0	0	117.4	A212 E213 H216 S313 P317	A212-F315 HydrophobicContact CB-CZ 4.44Å; E213-F315 HydrophobicContact CB-CE1 3.89Å; E213-F315 HydrophobicContact CB-CZ 4.29Å; E213-F315 HydrophobicContact CG-CD1 4.5Å; E213-F315 HydrophobicContact CG-CE1 4Å; H216-F315 AromaticContact CD2-CG 3.89Å; S313-F315 VanDerWaalsContact C-N 3.32Å; S313-F315 PolarHBondContact O-N 3.34Å; F315-P317 WeakPolarHBondContact O-CD 3.41Å
316	R	44.3	Very low	52.4	Low	209 Å²	209	68.8 Å²	68.8	79%	0.789	41%	0.41	S	S	*	.			trans	-84.1	108.7	-175	-161	176.6	-159.8	175.6	7.6	112.3
317	P	52.5	Low	55.4	Low	17 Å²	17	63.6 Å²	63.6	11%	0.11	37%	0.373	C	S	.	.	P	Polyproline II helix	trans	-77	161	-174.1	-14.2	31.5	0	0	0	113.5	F315 R415 R436 E438	F315-P317 WeakPolarHBondContact O-CD 3.41Å; P317-R415 HydrophobicContact CB-CB 4.3Å; P317-R415 WeakPolarHBondContact O-CD 3.37Å; P317-R415 PolarHBondContact O-NE 3.03Å; P317-R436 HydrophobicContact CG-CG 4.37Å; P317-E438 WeakPolarHBondContact CA-OE2 3.46Å
318	A	54.1	Low	58.3	Low	36 Å²	36	58.6 Å²	58.6	30%	0.298	34%	0.339	S	S	.	.	P	Polyproline II helix	trans	-61.9	141.2	170.4	0	0	0	0	0	111.9	L320 E438	A318-L320 HydrophobicContact CB-CD2 4.23Å; A318-L320 HydrophobicContact CB-CG 4.44Å; A318-E438 HydrophobicContact CB-CB 4.38Å; A318-E438 PolarHBondContact N-OE2 2.98Å
319	S	64.8	Low	61.3	Low	13 Å²	13	55.8 Å²	55.8	9%	0.091	31%	0.314	C	S	.	.	P	Polyproline II helix	trans	-86	131.2	171.1	44.4	0	0	0	0	110.7	R413 S414	S319-R413 WeakPolarHBondContact CB-O 3.41Å; S319-S414 WeakPolarHBondContact CA-O 3.46Å
320	L	71	Confident	64.3	Low	0 Å²	0	50.3 Å²	50.3	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	140.8	-163	-59.4	168	0	0	0	111.3	A318 R413 S414 L437 E438 L441 F464 I469	A318-L320 HydrophobicContact CB-CD2 4.23Å; A318-L320 HydrophobicContact CB-CG 4.44Å; L320-R413 CarbonylContact O-C 3.5Å; L320-R413 WeakPolarHBondContact O-CA 3.49Å; L320-R413 PolarHBondContact O-N 3.13Å; L320-S414 PolarHBondContact N-O 2.69Å; L320-S414 PolarHBondContact O-N 2.96Å; L320-L437 HydrophobicContact CD1-CB 3.78Å; L320-E438 HydrophobicContact CD1-CB 4.08Å; L320-E438 VanDerWaalsContact CD1-N 3.33Å; L320-L441 HydrophobicContact CD1-CD2 3.89Å; L320-L441 HydrophobicContact CD2-CD2 3.79Å; L320-L441 HydrophobicContact CG-CD2 4.4Å; L320-F464 HydrophobicContact CB-CE1 4.04Å; L320-F464 HydrophobicContact CB-CZ 4.03Å; L320-F464 HydrophobicContact CD1-CE1 4.17Å; L320-I469 HydrophobicContact CD2-CB 4.19Å; L320-I469 HydrophobicContact CD2-CG1 3.82Å; L320-I469 HydrophobicContact CD2-CG2 4.17Å
321	T	72.2	Confident	67.4	Low	36 Å²	36	46.9 Å²	46.9	22%	0.221	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	139.7	-174.9	-63.5	0	0	0	0	109	L411 R413 V468 E470	T321-L411 VanDerWaalsContact CA-O 3.29Å; T321-L411 WeakPolarHBondContact CA-O 3.47Å; T321-L411 WeakPolarHBondContact CG2-O 3.4Å; T321-R413 PolarHBondContact OG1-N 2.79Å; T321-V468 PolarHBondContact N-O 3.37Å; T321-V468 PolarHBondContact O-N 3.15Å; T321-E470 PolarHBondContact OG1-OE2 3.46Å
322	G	77.6	Confident	70.5	Confident	18 Å²	18	45.6 Å²	45.6	19%	0.186	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	144	-167.2	-176.2	0	0	0	0	0	112.9	L411	G322-L411 PolarHBondContact N-O 3.11Å; G322-L411 WeakPolarHBondContact O-CB 3.27Å; G322-L411 PolarHBondContact O-N 3.46Å
323	R	83.1	Confident	73.3	Confident	97 Å²	97	45.3 Å²	45.3	37%	0.366	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	115.4	-172	-174.6	169.5	172.9	-89.1	-15.8	112.7	E325 S408 N465	R323-E325 IonicContact CZ-OE1 3.62Å; R323-E325 VanDerWaalsContact NH1-CD 3.26Å; R323-E325 IonicContact NH1-OE1 2.9Å; R323-E325 PolarHBondContact NH1-OE1 3.39Å; R323-E325 IonicContact NH1-OE2 2.72Å; R323-E325 IonicContact NH2-OE1 3.01Å; R323-E325 PolarHBondContact NH2-OE1 2.75Å; R323-S408 PolarHBondContact NE-OG 3.1Å; R323-S408 PolarHBondContact NH2-OG 2.8Å; R323-N465 PolarHBondContact N-O 3.21Å; R323-N465 PolarHBondContact O-N 3.09Å
324	L	88.3	Confident	76	Confident	0 Å²	0	41.1 Å²	41.1	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	138.5	177.7	-168.7	68.5	0	0	0	111	V326 V385 M390 S408 T409 L411 L417 L437 V462 F464	L324-V326 HydrophobicContact CD1-CG2 4.49Å; L324-V326 HydrophobicContact CD2-CG2 3.97Å; L324-V326 HydrophobicContact CG-CG2 3.93Å; L324-V385 HydrophobicContact CD2-CG2 4.37Å; L324-M390 HydrophobicContact CD2-CE 4.48Å; L324-M390 HydrophobicContact CD2-SD 4.44Å; L324-S408 VanDerWaalsContact O-CA 3.25Å; L324-S408 WeakPolarHBondContact O-CA 3.4Å; L324-S408 PolarHBondContact O-OG 3.21Å; L324-T409 HydrophobicContact CB-CG2 4.36Å; L324-T409 PolarHBondContact N-O 3.37Å; L324-T409 PolarHBondContact O-N 3.44Å; L324-L411 HydrophobicContact CB-CD1 3.93Å; L324-L411 HydrophobicContact CB-CD2 4.17Å; L324-L411 HydrophobicContact CB-CG 3.97Å; L324-L411 HydrophobicContact CD2-CD1 4.47Å; L324-L411 HydrophobicContact CD2-CD2 4.18Å; L324-L417 HydrophobicContact CD2-CD1 4.01Å; L324-L437 HydrophobicContact CD1-CD2 4.21Å; L324-L437 HydrophobicContact CD2-CD2 3.92Å; L324-V462 HydrophobicContact CD1-CG1 3.91Å; L324-F464 HydrophobicContact CD1-CB 4.12Å; L324-F464 HydrophobicContact CD1-CG 4.33Å
325	E	89.1	Confident	78.4	Confident	67 Å²	67	35.9 Å²	35.9	31%	0.313	18%	0.176	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	130.5	170.4	-66.2	-178.5	135.2	0	0	109	R323 F407 T463 N465	R323-E325 IonicContact CZ-OE1 3.62Å; R323-E325 VanDerWaalsContact NH1-CD 3.26Å; R323-E325 IonicContact NH1-OE1 2.9Å; R323-E325 PolarHBondContact NH1-OE1 3.39Å; R323-E325 IonicContact NH1-OE2 2.72Å; R323-E325 IonicContact NH2-OE1 3.01Å; R323-E325 PolarHBondContact NH2-OE1 2.75Å; E325-F407 WeakPolarHBondContact CA-O 3.36Å; E325-T463 PolarHBondContact N-O 2.94Å; E325-T463 PolarHBondContact O-N 2.68Å; E325-N465 PolarHBondContact OE2-ND2 3.18Å
326	V	92.7	Very high	80.2	Confident	2 Å²	2	39.1 Å²	39.1	1%	0.012	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	124	-176.9	-178.4	0	0	0	0	109.5	L324 L383 M390 N406 F407 L417 I460 E461 V462	L324-V326 HydrophobicContact CD1-CG2 4.49Å; L324-V326 HydrophobicContact CD2-CG2 3.97Å; L324-V326 HydrophobicContact CG-CG2 3.93Å; V326-L383 HydrophobicContact CB-CD2 3.75Å; V326-L383 HydrophobicContact CG1-CD1 4.29Å; V326-L383 HydrophobicContact CG1-CD2 3.76Å; V326-L383 HydrophobicContact CG2-CD2 4.09Å; V326-M390 HydrophobicContact CG2-CE 4.28Å; V326-N406 CarbonylContact O-C 3.35Å; V326-N406 WeakPolarHBondContact O-CA 3.23Å; V326-F407 PolarHBondContact N-O 3.35Å; V326-F407 PolarHBondContact O-N 3.49Å; V326-L417 HydrophobicContact CG2-CD2 4.06Å; V326-I460 HydrophobicContact CG1-CD1 3.73Å; V326-I460 HydrophobicContact CG1-CG1 3.78Å; V326-E461 CarbonylContact C-O 3.56Å; V326-E461 VanDerWaalsContact CA-O 3.28Å; V326-E461 WeakPolarHBondContact CA-O 3.15Å; V326-V462 HydrophobicContact CG1-CG2 4.49Å
327	C	92.8	Very high	81.9	Confident	14 Å²	14	35.8 Å²	35.8	10%	0.095	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	126	165	-175.8	0	0	0	0	109.8	Q405 N406 I460 E461	C327-Q405 CarbonylContact C-O 3.4Å; C327-Q405 WeakPolarHBondContact CA-O 3.47Å; C327-N406 VanDerWaalsContact CB-OD1 3.26Å; C327-N406 WeakPolarHBondContact CB-OD1 3.35Å; C327-N406 PolarHBondContact SG-OD1 2.76Å; C327-I460 CarbonylContact O-C 3.56Å; C327-I460 WeakPolarHBondContact O-CA 3.41Å; C327-E461 HydrophobicContact CB-CB 4.12Å; C327-E461 PolarHBondContact N-O 3.2Å; C327-E461 PolarHBondContact O-N 3.28Å
328	L	91.6	Very high	83.2	Confident	0 Å²	0	35.3 Å²	35.3	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	105.9	164.7	-72.1	170.6	0	0	0	107.8	A381 L383 T393 W403 G404 Q405 F407 V419 V458 I460	L328-A381 HydrophobicContact CD1-CB 3.94Å; L328-L383 HydrophobicContact CD1-CB 4.38Å; L328-T393 HydrophobicContact CB-CG2 4.05Å; L328-T393 HydrophobicContact CD1-CG2 3.83Å; L328-W403 HydrophobicContact CB-CE3 4.09Å; L328-G404 PolarHBondContact O-N 3.01Å; L328-G404 VanDerWaalsContact O-N 3.16Å; L328-Q405 PolarHBondContact N-O 3.49Å; L328-Q405 PolarHBondContact O-N 3.07Å; L328-F407 HydrophobicContact CB-CE2 4.38Å; L328-F407 HydrophobicContact CD1-CD2 4.44Å; L328-F407 HydrophobicContact CD1-CE2 3.92Å; L328-F407 HydrophobicContact CG-CE2 4.36Å; L328-V419 HydrophobicContact CD2-CG1 4.23Å; L328-V458 HydrophobicContact CD2-CG2 4.02Å; L328-I460 HydrophobicContact CD2-CB 4.2Å; L328-I460 HydrophobicContact CD2-CD1 3.77Å; L328-I460 HydrophobicContact CD2-CG1 3.83Å
329	M	89.9	Confident	84	Confident	47 Å²	47	35.8 Å²	35.8	23%	0.232	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	-50.7	-179.9	-67.9	-177.7	63.1	0	0	110.8	K400 E401 A402 W403 G404 F459	M329-K400 CarbonylContact C-O 3.59Å; M329-E401 HydrophobicContact CE-CG 4.24Å; M329-E401 CarbonylContact O-C 3.28Å; M329-E401 WeakPolarHBondContact O-CA 3.21Å; M329-A402 PolarHBondContact O-N 3.02Å; M329-A402 VanDerWaalsContact O-N 3.13Å; M329-W403 PolarHBondContact O-N 3.25Å; M329-G404 PolarHBondContact O-N 2.99Å; M329-F459 HydrophobicContact CB-CB 3.97Å; M329-F459 WeakPolarHBondContact CB-O 3.23Å; M329-F459 PolarHBondContact N-O 2.77Å
330	G	90.3	Very high	84.1	Confident	0 Å²	0	38.1 Å²	38.1	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	179.5	-171.9	-176.4	0	0	0	0	0	113.7	G399 K400 V458 F459	G330-G399 CarbonylContact C-O 3.38Å; G330-G399 VanDerWaalsContact CA-O 3.32Å; G330-G399 WeakPolarHBondContact CA-O 3.03Å; G330-K400 WeakPolarHBondContact CA-O 3.42Å; G330-K400 PolarHBondContact N-O 3.19Å; G330-V458 WeakPolarHBondContact O-CG2 3.33Å; G330-F459 PolarHBondContact N-O 3.16Å; G330-F459 PolarHBondContact O-N 3.38Å
331	V	92.4	Very high	84.4	Confident	0 Å²	0	40.2 Å²	40.2	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	147.9	-177.7	69.4	0	0	0	0	110.7	L334 V379 Q398 G399 W403 V421 L452 I457 V458	V331-L334 HydrophobicContact CG1-CD1 3.78Å; V331-L334 HydrophobicContact CG2-CD1 3.95Å; V331-L334 HydrophobicContact CG2-CD2 3.87Å; V331-L334 HydrophobicContact CG2-CG 3.88Å; V331-V379 HydrophobicContact CG1-CG2 3.71Å; V331-Q398 HydrophobicContact CG1-CB 4.49Å; V331-G399 PolarHBondContact N-O 3.19Å; V331-G399 CarbonylContact O-C 3.57Å; V331-G399 PolarHBondContact O-N 3.4Å; V331-W403 HydrophobicContact CB-CH2 3.64Å; V331-W403 HydrophobicContact CB-CZ3 3.96Å; V331-W403 HydrophobicContact CG1-CH2 3.34Å; V331-W403 HydrophobicContact CG1-CZ2 3.77Å; V331-W403 HydrophobicContact CG1-CZ3 4.08Å; V331-V421 HydrophobicContact CG1-CG1 4.35Å; V331-V421 HydrophobicContact CG2-CG1 4.45Å; V331-L452 HydrophobicContact CG2-CD1 3.82Å; V331-I457 CarbonylContact C-O 3.18Å; V331-I457 WeakPolarHBondContact CA-O 3.33Å; V331-I457 WeakPolarHBondContact CG2-O 3.4Å; V331-V458 HydrophobicContact CG2-CB 4.45Å
332	Q	92	Very high	84.2	Confident	51 Å²	51	40.5 Å²	40.5	24%	0.238	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	170.1	175.9	-65.5	-163.9	-80.5	0	0	112.1	L334 K400 G456 I457 F459	Q332-L334 PolarHBondContact O-N 2.96Å; Q332-L334 VanDerWaalsContact O-N 3.08Å; Q332-K400 HydrophobicContact CG-CG 4.33Å; Q332-G456 CarbonylContact O-C 3.48Å; Q332-G456 WeakPolarHBondContact O-CA 3.43Å; Q332-I457 PolarHBondContact N-O 2.93Å; Q332-I457 PolarHBondContact O-N 3.11Å; Q332-F459 HydrophobicContact CB-CE2 4.39Å; Q332-F459 HydrophobicContact CG-CE2 4.06Å
333	D	88.9	Confident	83.4	Confident	91 Å²	91	41.7 Å²	41.7	49%	0.487	23%	0.232	S	C	.	.	S	Bend	trans	56.5	27.6	167.1	-46.9	-35.2	0	0	0	115	Q455 G456	D333-Q455 WeakPolarHBondContact O-CG 3.39Å; D333-Q455 PolarHBondContact O-NE2 3.16Å; D333-G456 VanDerWaalsContact O-CA 3.32Å; D333-G456 WeakPolarHBondContact O-CA 3.5Å; D333-G456 PolarHBondContact O-N 3.12Å
334	L	89.1	Confident	82.2	Confident	5 Å²	5	42 Å²	42	3%	0.026	26%	0.255	C	S	.	.			trans	-62.3	151.9	180	-73.8	166.6	0	0	0	112.5	V331 Q332 E336 V379 V421 W423 A431 L452	V331-L334 HydrophobicContact CG1-CD1 3.78Å; V331-L334 HydrophobicContact CG2-CD1 3.95Å; V331-L334 HydrophobicContact CG2-CD2 3.87Å; V331-L334 HydrophobicContact CG2-CG 3.88Å; Q332-L334 PolarHBondContact O-N 2.96Å; Q332-L334 VanDerWaalsContact O-N 3.08Å; L334-E336 PolarHBondContact O-N 2.76Å; L334-V379 HydrophobicContact CD1-CB 4.35Å; L334-V379 HydrophobicContact CD1-CG1 3.71Å; L334-V421 HydrophobicContact CD1-CG1 3.82Å; L334-V421 HydrophobicContact CD2-CB 4.32Å; L334-V421 HydrophobicContact CD2-CG1 4.05Å; L334-W423 HydrophobicContact CB-CZ2 3.82Å; L334-W423 HydrophobicContact CD1-CZ2 4.43Å; L334-A431 HydrophobicContact CD2-CB 3.56Å; L334-L452 HydrophobicContact CD2-CD1 3.89Å
335	L	86.5	Confident	80.4	Confident	13 Å²	13	49 Å²	49	7%	0.068	29%	0.288	C	S	.	.			trans	-65	123	174.1	-173.1	67.6	0	0	0	110.8	L262 D337 V338 W423 P454 Q455	L262-L335 HydrophobicContact CD2-CD2 3.61Å; L335-D337 WeakPolarHBondContact CD2-O 3.37Å; L335-D337 WeakPolarHBondContact CG-O 3.47Å; L335-V338 HydrophobicContact CD2-CG2 4.44Å; L335-W423 PolarHBondContact O-NE1 3.2Å; L335-P454 HydrophobicContact CD2-CG 3.87Å; L335-Q455 HydrophobicContact CB-CB 4.16Å
336	E	81.2	Confident	78.4	Confident	106 Å²	106	50 Å²	50	50%	0.495	29%	0.291	S	S	.	.	S	Bend	trans	-86.7	-47.1	175.4	-58.8	-162.3	144.8	0	0	111.6	L334 V338 W423 R427	L334-E336 PolarHBondContact O-N 2.76Å; E336-V338 PolarHBondContact O-N 2.91Å; E336-W423 HydrophobicContact CG-CZ2 4.2Å; E336-R427 WeakPolarHBondContact O-CD 3.38Å
337	D	79.9	Confident	76.2	Confident	139 Å²	139	55.8 Å²	55.8	74%	0.743	33%	0.332	S	S	*	.	S	Bend	trans	-85.9	89.6	174.6	-73	-46.9	0	0	0	111.4	L335	L335-D337 WeakPolarHBondContact CD2-O 3.37Å; L335-D337 WeakPolarHBondContact CG-O 3.47Å
338	V	80.6	Confident	73.7	Confident	7 Å²	7	57.7 Å²	57.7	4%	0.042	35%	0.353	C	S	.	.			trans	-83.8	122.2	-178.6	-176.9	0	0	0	0	111.3	L259 L335 E336 R341 R427	L259-V338 HydrophobicContact CD2-CG1 4.08Å; L335-V338 HydrophobicContact CD2-CG2 4.44Å; E336-V338 PolarHBondContact O-N 2.91Å; V338-R341 HydrophobicContact CB-CG 3.97Å; V338-R341 HydrophobicContact CG1-CG 3.71Å; V338-R427 HydrophobicContact CB-CB 4.47Å; V338-R427 HydrophobicContact CG2-CB 4Å
339	P	69.3	Low	71.1	Confident	46 Å²	46	64.9 Å²	64.9	30%	0.299	39%	0.392	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.8	145.8	-179.2	-26.8	34.2	0	0	0	114.5	L262 R341	L262-P339 HydrophobicContact CB-CG 4.29Å; L262-P339 HydrophobicContact CD2-CG 3.61Å; L262-P339 HydrophobicContact CG-CG 4.43Å; P339-R341 VanDerWaalsContact C-N 3.26Å; P339-R341 PolarHBondContact O-N 3.3Å; P339-R341 PolarHBondContact O-NH1 2.85Å; P339-R341 PolarHBondContact O-NH2 2.89Å
340	G	67.4	Low	68.7	Low	61 Å²	61	68.5 Å²	68.5	63%	0.629	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.5	23.3	175.1	0	0	0	0	0	114.4
341	R	78	Confident	66.4	Low	44 Å²	44	73.7 Å²	73.7	17%	0.166	45%	0.447	C	S	.	.			trans	-119.5	148.5	176.4	-48.7	-59.4	164.6	-103.3	-16.9	110.5	D258 V338 P339 W426	D258-R341 IonicContact OD2-CZ 3.1Å; D258-R341 VanDerWaalsContact OD2-CZ 3.26Å; D258-R341 IonicContact OD2-NH1 2.78Å; D258-R341 PolarHBondContact OD2-NH1 3.2Å; D258-R341 IonicContact OD2-NH2 2.63Å; D258-R341 PolarHBondContact OD2-NH2 3.26Å; V338-R341 HydrophobicContact CB-CG 3.97Å; V338-R341 HydrophobicContact CG1-CG 3.71Å; P339-R341 VanDerWaalsContact C-N 3.26Å; P339-R341 PolarHBondContact O-N 3.3Å; P339-R341 PolarHBondContact O-NH1 2.85Å; P339-R341 PolarHBondContact O-NH2 2.89Å; R341-W426 HydrophobicContact CB-CE3 3.77Å; R341-W426 HydrophobicContact CB-CZ3 3.76Å
342	S	67	Low	63.8	Low	43 Å²	43	77.5 Å²	77.5	30%	0.301	49%	0.486	S	S	.	.			trans	-154.1	146.5	171.7	67.6	0	0	0	0	110.9	A344 Q345	S342-A344 PolarHBondContact O-N 2.85Å; S342-Q345 PolarHBondContact O-N 2.63Å; S342-Q345 VanDerWaalsContact O-N 3.14Å; S342-Q345 VanDerWaalsContact OG-CD 3.28Å; S342-Q345 WeakPolarHBondContact OG-CG 3.45Å; S342-Q345 PolarHBondContact OG-OE1 2.92Å
343	A	61.4	Low	60.9	Low	43 Å²	43	78.5 Å²	78.5	36%	0.355	51%	0.51	S	S	.	.	G	3₁₀ helix	trans	-56.9	-34.2	176.7	0	0	0	0	0	112.5	Q345 F346 D373 W426	A343-Q345 PolarHBondContact O-N 2.73Å; A343-F346 PolarHBondContact O-N 2.84Å; A343-D373 WeakPolarHBondContact CB-OD2 3.42Å; A343-W426 HydrophobicContact CB-CD2 4.45Å; A343-W426 HydrophobicContact CB-CG 4.04Å
344	A	57	Low	58.2	Low	104 Å²	104	84.2 Å²	84.2	86%	0.86	53%	0.531	S	S	*	.	G	3₁₀ helix	trans	-63.5	-18.9	179.4	0	0	0	0	0	114.7	S342	S342-A344 PolarHBondContact O-N 2.85Å
345	Q	51.5	Low	55.3	Low	146 Å²	146	89.4 Å²	89.4	68%	0.682	57%	0.568	S	S	*	*	G	3₁₀ helix	trans	-96.9	-2.6	-179.8	-70.6	167	-43.4	0	0	113.3	S342 A343 S347	S342-Q345 PolarHBondContact O-N 2.63Å; S342-Q345 VanDerWaalsContact O-N 3.14Å; S342-Q345 VanDerWaalsContact OG-CD 3.28Å; S342-Q345 WeakPolarHBondContact OG-CG 3.45Å; S342-Q345 PolarHBondContact OG-OE1 2.92Å; A343-Q345 PolarHBondContact O-N 2.73Å; Q345-S347 PolarHBondContact O-N 3.5Å; Q345-S347 VanDerWaalsContact O-N 3.12Å
346	F	47.3	Very low	52.7	Low	88 Å²	88	97.2 Å²	97.2	39%	0.386	61%	0.606	S	S	.	*			trans	-90.1	77.9	-165.6	-162.2	-108.3	0	0	0	114.5	A343 G348 Y350 D425 W426	A343-F346 PolarHBondContact O-N 2.84Å; F346-G348 PolarHBondContact O-N 2.72Å; F346-G348 VanDerWaalsContact O-N 3.1Å; F346-Y350 HydrophobicContact CZ-CE2 4.17Å; F346-D425 WeakPolarHBondContact CZ-O 3.47Å; F346-W426 HydrophobicContact CB-CB 3.91Å; F346-W426 HydrophobicContact CD1-CB 4.42Å; F346-W426 HydrophobicContact CD2-CB 4.04Å; F346-W426 HydrophobicContact CG-CB 3.89Å
347	S	46.5	Very low	50.1	Low	124 Å²	124	102.1 Å²	102.1	87%	0.867	63%	0.625	S	S	*	*			trans	-81.5	79	168.4	-160.8	0	0	0	0	111	Q345 N349	Q345-S347 PolarHBondContact O-N 3.5Å; Q345-S347 VanDerWaalsContact O-N 3.12Å; S347-N349 PolarHBondContact O-N 3.43Å
348	G	40.8	Very low	47.8	Very low	53 Å²	53	102.2 Å²	102.2	55%	0.546	63%	0.631	S	S	.	*			trans	-67.9	115.7	-170.8	0	0	0	0	0	114.8	F346	F346-G348 PolarHBondContact O-N 2.72Å; F346-G348 VanDerWaalsContact O-N 3.1Å
349	N	36.2	Very low	45.7	Very low	152 Å²	152	112 Å²	112	81%	0.813	67%	0.673	S	S	*	*			trans	-134.3	57.3	171.5	-165.1	71.6	0	0	0	112.2	S347 A351	S347-N349 PolarHBondContact O-N 3.43Å; N349-A351 PolarHBondContact O-N 2.86Å; N349-A351 VanDerWaalsContact O-N 3.14Å
350	Y	39.9	Very low	43.9	Very low	123 Å²	123	113.5 Å²	113.5	48%	0.482	70%	0.697	S	S	.	*			trans	-65.4	107.8	174.8	-88.6	-78.4	0	0	0	111.5	F346 G352	F346-Y350 HydrophobicContact CZ-CE2 4.17Å; Y350-G352 PolarHBondContact O-N 3.28Å; Y350-G352 VanDerWaalsContact O-N 3.07Å
351	A	41.1	Very low	42.3	Very low	108 Å²	108	117 Å²	117	89%	0.893	71%	0.712	S	S	*	*			trans	-74	94.9	176.3	0	0	0	0	0	111.3	N349	N349-A351 PolarHBondContact O-N 2.86Å; N349-A351 VanDerWaalsContact O-N 3.14Å
352	G	38	Very low	40.1	Very low	80 Å²	80	118.4 Å²	118.4	83%	0.825	74%	0.74	S	S	*	*			trans	173.3	51.3	-179.7	0	0	0	0	0	116.9	Y350	Y350-G352 PolarHBondContact O-N 3.28Å; Y350-G352 VanDerWaalsContact O-N 3.07Å
353	G	31.2	Very low	38.6	Very low	73 Å²	73	128.4 Å²	128.4	75%	0.753	77%	0.771	S	S	*	*			trans	-178.7	128.7	172.8	0	0	0	0	0	114.7	S355	G353-S355 PolarHBondContact O-N 3.23Å
354	K	32.3	Very low	37.4	Very low	211 Å²	211	132.1 Å²	132.1	92%	0.917	79%	0.794	S	S	*	*			trans	-77.6	99	170.8	-71.1	-179.6	-179.8	175.8	0	109.2	M356	K354-M356 PolarHBondContact O-N 3.15Å
355	S	28.4	Very low	36.4	Very low	114 Å²	114	131.9 Å²	131.9	80%	0.797	79%	0.792	S	S	*	*			trans	-64.3	121.5	174.3	-175.5	0	0	0	0	111	G353 K357	G353-S355 PolarHBondContact O-N 3.23Å; S355-K357 PolarHBondContact O-N 3.42Å
356	M	30.8	Very low	35.9	Very low	176 Å²	176	132.9 Å²	132.9	87%	0.867	80%	0.802	S	S	*	*			trans	-73.2	122	172	-67.7	-167	-171.7	0	0	109.7	K354 V358	K354-M356 PolarHBondContact O-N 3.15Å; M356-V358 PolarHBondContact O-N 3.06Å; M356-V358 VanDerWaalsContact O-N 3.12Å
357	K	28.1	Very low	35.1	Very low	209 Å²	209	131.8 Å²	131.8	91%	0.909	82%	0.815	S	S	*	*			trans	-77	94.8	172.2	-73.5	-175.7	175.2	-179.6	0	110.7	S355	S355-K357 PolarHBondContact O-N 3.42Å
358	V	31.9	Very low	35.2	Very low	142 Å²	142	135.8 Å²	135.8	86%	0.861	82%	0.817	S	S	*	*			trans	-75	133.9	158.3	179.9	0	0	0	0	108.4	M356	M356-V358 PolarHBondContact O-N 3.06Å; M356-V358 VanDerWaalsContact O-N 3.12Å
359	K	35.9	Very low	34.9	Very low	211 Å²	211	139.3 Å²	139.3	92%	0.917	83%	0.828	S	S	*	*			trans	-99.3	112.7	-171.3	-160.9	-178.5	-173.2	-175.7	0	109.5
360	G	30.8	Very low	35.4	Very low	79 Å²	79	136.1 Å²	136.1	81%	0.814	83%	0.831	S	S	*	*			trans	-138.2	139.5	176.7	0	0	0	0	0	111.1
361	S	33.9	Very low	35.4	Very low	135 Å²	135	139.8 Å²	139.8	94%	0.944	85%	0.85	S	S	*	*			trans	-133.2	128.2	-180	-178.3	0	0	0	0	109.1
362	G	32.3	Very low	35.5	Very low	72 Å²	72	139.2 Å²	139.2	74%	0.742	84%	0.839	S	S	*	*			trans	173.1	92.8	-176.6	0	0	0	0	0	115.5
363	R	34.3	Very low	36.1	Very low	254 Å²	254	140.9 Å²	140.9	96%	0.958	83%	0.829	S	S	*	*			trans	27.4	129.4	146.3	-67.5	178.7	169.7	175.9	-4.6	121.4
364	S	38.2	Very low	37.6	Very low	121 Å²	121	146 Å²	146	85%	0.846	83%	0.834	S	S	*	*			trans	-24.7	138.3	156.2	-176.1	0	0	0	0	118.4
365	A	34.6	Very low	39.7	Very low	98 Å²	98	140.1 Å²	140.1	81%	0.81	81%	0.812	S	S	*	*			trans	-148.9	151	140.8	0	0	0	0	0	110
366	N	41.4	Very low	42.2	Very low	167 Å²	167	136.1 Å²	136.1	89%	0.893	78%	0.784	S	S	*	*			trans	-86.9	138.7	178.4	-173.2	18.2	0	0	0	110.6
367	G	31.5	Very low	44.7	Very low	65 Å²	65	131.5 Å²	131.5	67%	0.67	77%	0.769	S	S	*	*			trans	-163.2	101.1	-177.4	0	0	0	0	0	113.9	T369	G367-T369 PolarHBondContact O-N 3.28Å
368	K	46.7	Very low	47.7	Very low	209 Å²	209	124 Å²	124	91%	0.909	74%	0.737	S	S	*	*			trans	-78.6	103.7	163.6	-88.6	-173.4	172.5	-177.1	0	109.3
369	T	35	Very low	50.6	Low	126 Å²	126	117.2 Å²	117.2	77%	0.773	70%	0.696	S	S	*	*			trans	-129.6	136.6	153.8	47.8	0	0	0	0	108.4	G367 K371	G367-T369 PolarHBondContact O-N 3.28Å; T369-K371 PolarHBondContact O-N 2.94Å
370	G	46.7	Very low	53.5	Low	85 Å²	85	107.1 Å²	107.1	88%	0.876	65%	0.652	S	S	*	*			trans	-69.4	114	173.4	0	0	0	0	0	108.7	S372	G370-S372 PolarHBondContact O-N 3.04Å
371	K	40.1	Very low	56.5	Low	201 Å²	201	103.4 Å²	103.4	87%	0.874	61%	0.613	S	S	*	*			trans	-74.9	118.7	161.8	-73.6	-171.2	172.5	-168.4	0	107.5	T369	T369-K371 PolarHBondContact O-N 2.94Å
372	S	42.6	Very low	59.5	Low	96 Å²	96	97.6 Å²	97.6	67%	0.671	57%	0.572	S	S	*	*			trans	-53.8	137	152.6	44	0	0	0	0	108.7	G370 E374	G370-S372 PolarHBondContact O-N 3.04Å; S372-E374 VanDerWaalsContact C-N 3.34Å; S372-E374 PolarHBondContact O-N 2.72Å
373	D	51.4	Low	62.4	Low	115 Å²	115	94.2 Å²	94.2	62%	0.615	54%	0.537	S	S	*	.			trans	-65.7	98.4	164.4	-90.2	-36.4	0	0	0	107.6	A343 L375	A343-D373 WeakPolarHBondContact CB-OD2 3.42Å; D373-L375 VanDerWaalsContact C-N 3.33Å; D373-L375 PolarHBondContact O-N 2.89Å
374	E	61.9	Low	65.2	Low	181 Å²	181	82.2 Å²	82.2	85%	0.846	49%	0.492	S	S	*	.			trans	-66.3	95.7	169.4	-79	-177	126.1	0	0	108.4	S372 S376	S372-E374 VanDerWaalsContact C-N 3.34Å; S372-E374 PolarHBondContact O-N 2.72Å; E374-S376 PolarHBondContact O-N 2.9Å
375	L	76.9	Confident	67.6	Low	86 Å²	86	77 Å²	77	45%	0.45	46%	0.455	S	S	.	.			trans	-52.8	132.7	171.8	-63.8	178.8	0	0	0	109.4	D373 S377 W426	D373-L375 VanDerWaalsContact C-N 3.33Å; D373-L375 PolarHBondContact O-N 2.89Å; L375-S377 PolarHBondContact O-N 3.37Å; L375-W426 HydrophobicContact CD2-CZ2 3.88Å
376	S	81.2	Confident	70	Confident	30 Å²	30	75.3 Å²	75.3	21%	0.21	43%	0.432	C	S	.	.			trans	-77.8	126.1	-177.6	-163.6	0	0	0	0	110.1	E374 E378 W423 D425 R427	E374-S376 PolarHBondContact O-N 2.9Å; S376-E378 PolarHBondContact O-N 3.21Å; S376-E378 PolarHBondContact OG-N 3.49Å; S376-W423 WeakPolarHBondContact O-CZ3 3.5Å; S376-D425 PolarHBondContact N-OD2 3.14Å; S376-R427 PolarHBondContact O-NH2 3.16Å
377	S	84.3	Confident	71.9	Confident	79 Å²	79	72 Å²	72	55%	0.552	42%	0.415	S	S	*	.			trans	-71.6	-8.5	170.5	55.1	0	0	0	0	113.1	L375 P397	L375-S377 PolarHBondContact O-N 3.37Å; S377-P397 WeakPolarHBondContact O-CA 3.33Å
378	E	90.9	Very high	74.5	Confident	51 Å²	51	78 Å²	78	24%	0.238	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	134.4	-177.1	-67.5	-171.4	157	0	0	113.9	S376 W395 R396 R424	S376-E378 PolarHBondContact O-N 3.21Å; S376-E378 PolarHBondContact OG-N 3.49Å; E378-W395 HydrophobicContact CB-CB 4.29Å; E378-W395 WeakPolarHBondContact OE2-CB 3.39Å; E378-R396 CarbonylContact C-O 3.16Å; E378-R396 WeakPolarHBondContact CA-O 3.29Å; E378-R424 HydrophobicContact CB-CB 4.11Å; E378-R424 WeakPolarHBondContact O-CB 3.34Å; E378-R424 PolarHBondContact O-N 3.08Å; E378-R424 IonicContact OE1-NH1 2.72Å; E378-R424 WeakPolarHBondContact OE2-CD 3.31Å; E378-R424 IonicContact OE2-CZ 2.83Å; E378-R424 IonicContact OE2-NE 2.69Å; E378-R424 IonicContact OE2-NH1 3.86Å; E378-R424 PolarHBondContact OE2-NH1 3.45Å
379	V	92.9	Very high	76.4	Confident	0 Å²	0	72.7 Å²	72.7	0%	0	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	154	179.4	-67.4	0	0	0	0	112.3	V331 L334 W395 R396 Q398 W403 V421 Y422 W423	V331-V379 HydrophobicContact CG1-CG2 3.71Å; L334-V379 HydrophobicContact CD1-CB 4.35Å; L334-V379 HydrophobicContact CD1-CG1 3.71Å; V379-W395 WeakPolarHBondContact O-CA 3.37Å; V379-R396 VanDerWaalsContact CG2-O 3.29Å; V379-R396 WeakPolarHBondContact CG2-O 3.44Å; V379-R396 PolarHBondContact N-O 3.38Å; V379-R396 PolarHBondContact O-N 2.93Å; V379-Q398 HydrophobicContact CG2-CB 4.05Å; V379-W403 HydrophobicContact CB-CZ2 4.39Å; V379-W403 HydrophobicContact CG2-CZ2 3.93Å; V379-W403 PolarHBondContact O-NE1 3.43Å; V379-V421 HydrophobicContact CB-CG1 4.5Å; V379-Y422 CarbonylContact C-O 3.57Å; V379-Y422 WeakPolarHBondContact CA-O 3.5Å; V379-W423 HydrophobicContact CG1-CD2 3.79Å; V379-W423 HydrophobicContact CG1-CE3 3.27Å; V379-W423 HydrophobicContact CG1-CH2 4.11Å; V379-W423 HydrophobicContact CG1-CZ3 3.46Å; V379-W423 VanDerWaalsContact CG1-CZ3 3.46Å
380	S	95.3	Very high	79	Confident	0 Å²	0	68.4 Å²	68.4	0%	0	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	134.1	179.4	175	0	0	0	0	109	R392 T393 W395 Y422	S380-R392 WeakPolarHBondContact OG-CG 3.33Å; S380-R392 PolarHBondContact OG-NE 2.64Å; S380-R392 PolarHBondContact OG-NH2 3.45Å; S380-T393 PolarHBondContact OG-O 2.92Å; S380-W395 VanDerWaalsContact CB-CZ3 3.49Å; S380-Y422 PolarHBondContact N-O 2.87Å; S380-Y422 PolarHBondContact O-N 3.45Å
381	A	95.3	Very high	81	Confident	0 Å²	0	65.1 Å²	65.1	0%	0	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	140	176.3	0	0	0	0	0	110.7	L328 R392 T393 W403 A420 V421	L328-A381 HydrophobicContact CD1-CB 3.94Å; A381-R392 CarbonylContact O-C 3.55Å; A381-R392 VanDerWaalsContact O-CA 3.28Å; A381-R392 WeakPolarHBondContact O-CA 3.48Å; A381-T393 HydrophobicContact CB-CG2 4.21Å; A381-T393 PolarHBondContact N-OG1 3.26Å; A381-T393 PolarHBondContact O-N 2.85Å; A381-W403 HydrophobicContact CB-CE3 4.45Å; A381-W403 HydrophobicContact CB-CH2 3.51Å; A381-W403 HydrophobicContact CB-CZ2 3.96Å; A381-W403 HydrophobicContact CB-CZ3 3.8Å; A381-A420 CarbonylContact C-O 3.59Å; A381-A420 WeakPolarHBondContact CA-O 3.46Å; A381-V421 HydrophobicContact CB-CG2 4.29Å
382	V	95.1	Very high	83.5	Confident	14 Å²	14	60.2 Å²	60.2	9%	0.085	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	131.6	169.2	-179.7	0	0	0	0	107.7	K384 V389 R392 A420 Y422	V382-K384 HydrophobicContact CG1-CG 4.08Å; V382-V389 HydrophobicContact CG1-CG1 4Å; V382-V389 HydrophobicContact CG1-CG2 4.24Å; V382-R392 HydrophobicContact CG2-CB 4.33Å; V382-R392 HydrophobicContact CG2-CG 3.96Å; V382-A420 PolarHBondContact N-O 2.75Å; V382-A420 PolarHBondContact O-N 2.87Å; V382-Y422 HydrophobicContact CB-CE2 4.08Å; V382-Y422 HydrophobicContact CG2-CD2 4.05Å; V382-Y422 HydrophobicContact CG2-CE2 3.62Å
383	L	94.5	Very high	86	Confident	0 Å²	0	55.9 Å²	55.9	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	129.7	176.6	-168	69.5	0	0	0	108.5	V326 L328 M390 G391 F407 L417 E418 V419	V326-L383 HydrophobicContact CB-CD2 3.75Å; V326-L383 HydrophobicContact CG1-CD1 4.29Å; V326-L383 HydrophobicContact CG1-CD2 3.76Å; V326-L383 HydrophobicContact CG2-CD2 4.09Å; L328-L383 HydrophobicContact CD1-CB 4.38Å; L383-M390 HydrophobicContact CD2-CE 4.17Å; L383-M390 HydrophobicContact CD2-CG 4.25Å; L383-M390 HydrophobicContact CD2-SD 3.6Å; L383-M390 VanDerWaalsContact CD2-SD 3.6Å; L383-M390 HydrophobicContact CG-CB 4.5Å; L383-M390 HydrophobicContact CG-SD 4.18Å; L383-M390 WeakPolarHBondContact O-CB 3.32Å; L383-M390 PolarHBondContact O-N 3.06Å; L383-G391 PolarHBondContact N-O 3.36Å; L383-G391 PolarHBondContact O-N 3.41Å; L383-F407 HydrophobicContact CD2-CB 3.99Å; L383-F407 HydrophobicContact CD2-CD2 4.07Å; L383-F407 HydrophobicContact CD2-CG 4.14Å; L383-L417 HydrophobicContact CD1-CD1 3.74Å; L383-L417 HydrophobicContact CD1-CD2 4.35Å; L383-L417 HydrophobicContact CD1-CG 4.01Å; L383-L417 HydrophobicContact CD2-CD1 4.38Å; L383-L417 HydrophobicContact CG-CD1 3.94Å; L383-E418 WeakPolarHBondContact CA-O 3.4Å; L383-V419 HydrophobicContact CD1-CG2 3.86Å
384	K	92.8	Very high	87.9	Confident	3 Å²	3	56.1 Å²	56.1	1%	0.013	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	150.7	177.8	-44.3	-178.5	-170.1	150.2	0	111.7	E252 V382 R388 V389 L417 E418	E252-K384 WeakPolarHBondContact OE1-CE 3.23Å; E252-K384 IonicContact OE1-NZ 3.67Å; E252-K384 PolarHBondContact OE1-NZ 2.52Å; E252-K384 IonicContact OE2-NZ 2.69Å; E252-K384 PolarHBondContact OE2-NZ 2.96Å; V382-K384 HydrophobicContact CG1-CG 4.08Å; K384-R388 CarbonylContact C-O 3.55Å; K384-R388 WeakPolarHBondContact CA-O 3.4Å; K384-R388 VanDerWaalsContact CB-O 3.31Å; K384-R388 WeakPolarHBondContact CB-O 3.3Å; K384-V389 HydrophobicContact CD-CG2 4.36Å; K384-V389 HydrophobicContact CG-CG2 4.19Å; K384-L417 WeakPolarHBondContact O-CA 3.23Å; K384-E418 HydrophobicContact CB-CB 4.19Å; K384-E418 WeakPolarHBondContact CD-OE1 3.26Å; K384-E418 VanDerWaalsContact CE-OE1 3.3Å; K384-E418 WeakPolarHBondContact CE-OE1 3.45Å; K384-E418 PolarHBondContact N-O 2.64Å; K384-E418 IonicContact NZ-OE1 2.72Å; K384-E418 PolarHBondContact NZ-OE1 3.42Å; K384-E418 IonicContact NZ-OE2 2.97Å; K384-E418 PolarHBondContact O-N 2.68Å
385	V	89.5	Confident	89.4	Confident	11 Å²	11	50.2 Å²	50.2	7%	0.067	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	122	168.9	175.6	0	0	0	0	107.9	L324 N387 R388 M390 T409 L411 S414 E416 L417 L437	L324-V385 HydrophobicContact CD2-CG2 4.37Å; V385-N387 VanDerWaalsContact C-N 3.33Å; V385-N387 PolarHBondContact O-N 3.48Å; V385-R388 PolarHBondContact N-O 2.95Å; V385-R388 WeakPolarHBondContact O-CA 3.33Å; V385-R388 WeakPolarHBondContact O-CB 3.42Å; V385-R388 PolarHBondContact O-N 3.37Å; V385-M390 HydrophobicContact CG2-SD 3.96Å; V385-T409 HydrophobicContact CG2-CG2 4.44Å; V385-L411 HydrophobicContact CG1-CD2 3.73Å; V385-L411 HydrophobicContact CG2-CD2 4.14Å; V385-S414 VanDerWaalsContact CG1-OG 3.24Å; V385-S414 WeakPolarHBondContact CG1-OG 3.32Å; V385-E416 VanDerWaalsContact CA-O 3.3Å; V385-E416 WeakPolarHBondContact CA-O 3.23Å; V385-L417 HydrophobicContact CG2-CD1 3.83Å; V385-L437 HydrophobicContact CG1-CD1 4.35Å
386	D	83.2	Confident	90.1	Very high	63 Å²	63	52.6 Å²	52.6	34%	0.337	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	43.2	53.5	-176.3	-46.1	-56.1	0	0	0	113.4	R388 S414 R415 E416	D386-R388 PolarHBondContact O-N 2.86Å; D386-R388 VanDerWaalsContact O-N 3.13Å; D386-S414 WeakPolarHBondContact OD2-CA 3.35Å; D386-S414 WeakPolarHBondContact OD2-CB 3.48Å; D386-S414 PolarHBondContact OD2-OG 2.68Å; D386-R415 PolarHBondContact OD1-N 3.04Å; D386-R415 PolarHBondContact OD2-N 3.44Å; D386-E416 PolarHBondContact N-O 3.27Å; D386-E416 PolarHBondContact OD1-N 2.69Å
387	N	82.3	Confident	90.5	Very high	97 Å²	97	54.6 Å²	54.6	52%	0.519	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.4	3.5	-174	-69.6	-58	0	0	0	117.1	V385	V385-N387 VanDerWaalsContact C-N 3.33Å; V385-N387 PolarHBondContact O-N 3.48Å
388	R	85.3	Confident	90.7	Very high	191 Å²	191	54.2 Å²	54.2	72%	0.721	26%	0.257	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91	126.2	171	-59.5	-179.9	174.9	-177	-0.2	110.6	K384 V385 D386 M390	K384-R388 CarbonylContact C-O 3.55Å; K384-R388 WeakPolarHBondContact CA-O 3.4Å; K384-R388 VanDerWaalsContact CB-O 3.31Å; K384-R388 WeakPolarHBondContact CB-O 3.3Å; V385-R388 PolarHBondContact N-O 2.95Å; V385-R388 WeakPolarHBondContact O-CA 3.33Å; V385-R388 WeakPolarHBondContact O-CB 3.42Å; V385-R388 PolarHBondContact O-N 3.37Å; D386-R388 PolarHBondContact O-N 2.86Å; D386-R388 VanDerWaalsContact O-N 3.13Å; R388-M390 PolarHBondContact O-N 2.84Å
389	V	88.1	Confident	90.5	Very high	98 Å²	98	52.6 Å²	52.6	59%	0.594	25%	0.254	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.1	116.1	179.3	179.3	0	0	0	0	110.8	V382 K384	V382-V389 HydrophobicContact CG1-CG1 4Å; V382-V389 HydrophobicContact CG1-CG2 4.24Å; K384-V389 HydrophobicContact CD-CG2 4.36Å; K384-V389 HydrophobicContact CG-CG2 4.19Å
390	M	88.9	Confident	90.1	Very high	36 Å²	36	58.4 Å²	58.4	18%	0.177	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	-33.3	174.4	177.9	176.6	175.1	0	0	111.3	L324 V326 L383 V385 R388 F407 T409 L417	L324-M390 HydrophobicContact CD2-CE 4.48Å; L324-M390 HydrophobicContact CD2-SD 4.44Å; V326-M390 HydrophobicContact CG2-CE 4.28Å; L383-M390 HydrophobicContact CD2-CE 4.17Å; L383-M390 HydrophobicContact CD2-CG 4.25Å; L383-M390 HydrophobicContact CD2-SD 3.6Å; L383-M390 VanDerWaalsContact CD2-SD 3.6Å; L383-M390 HydrophobicContact CG-CB 4.5Å; L383-M390 HydrophobicContact CG-SD 4.18Å; L383-M390 WeakPolarHBondContact O-CB 3.32Å; L383-M390 PolarHBondContact O-N 3.06Å; V385-M390 HydrophobicContact CG2-SD 3.96Å; R388-M390 PolarHBondContact O-N 2.84Å; M390-F407 HydrophobicContact CE-CB 3.81Å; M390-F407 HydrophobicContact CG-CB 4.44Å; M390-T409 HydrophobicContact CE-CG2 3.74Å; M390-T409 HydrophobicContact CG-CG2 4.16Å; M390-T409 HydrophobicContact SD-CG2 3.72Å; M390-L417 HydrophobicContact SD-CD1 4.49Å
391	G	88.1	Confident	89.7	Confident	15 Å²	15	66 Å²	66	16%	0.155	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	175.9	-178.3	177.4	0	0	0	0	0	113.7	L383	L383-G391 PolarHBondContact N-O 3.36Å; L383-G391 PolarHBondContact O-N 3.41Å
392	R	92.9	Very high	89.2	Confident	99 Å²	99	66.7 Å²	66.7	37%	0.374	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	141.3	179.5	179.3	178.5	174.6	175.4	3.3	111	S380 A381 V382	S380-R392 WeakPolarHBondContact OG-CG 3.33Å; S380-R392 PolarHBondContact OG-NE 2.64Å; S380-R392 PolarHBondContact OG-NH2 3.45Å; A381-R392 CarbonylContact O-C 3.55Å; A381-R392 VanDerWaalsContact O-CA 3.28Å; A381-R392 WeakPolarHBondContact O-CA 3.48Å; V382-R392 HydrophobicContact CG2-CB 4.33Å; V382-R392 HydrophobicContact CG2-CG 3.96Å
393	T	94.8	Very high	89	Confident	5 Å²	5	67.2 Å²	67.2	3%	0.031	32%	0.321	C	S	.	.	P	Polyproline II helix	trans	-83	159.4	176.4	70.2	0	0	0	0	112.7	L328 S380 A381 W403 Q405 F407	L328-T393 HydrophobicContact CB-CG2 4.05Å; L328-T393 HydrophobicContact CD1-CG2 3.83Å; S380-T393 PolarHBondContact OG-O 2.92Å; A381-T393 HydrophobicContact CB-CG2 4.21Å; A381-T393 PolarHBondContact N-OG1 3.26Å; A381-T393 PolarHBondContact O-N 2.85Å; T393-W403 HydrophobicContact CG2-CB 4.02Å; T393-W403 HydrophobicContact CG2-CD2 3.82Å; T393-W403 HydrophobicContact CG2-CE3 4.09Å; T393-W403 HydrophobicContact CG2-CG 3.8Å; T393-W403 PolarHBondContact OG1-NE1 3.34Å; T393-W403 VanDerWaalsContact OG1-NE1 3.09Å; T393-Q405 VanDerWaalsContact CA-OE1 3.23Å; T393-Q405 HydrophobicContact CG2-CB 4.37Å; T393-F407 HydrophobicContact CG2-CE2 3.97Å; T393-F407 HydrophobicContact CG2-CZ 3.88Å
394	H	92.3	Very high	88.6	Confident	119 Å²	119	69.6 Å²	69.6	55%	0.551	35%	0.346	S	S	*	.	P	Polyproline II helix	trans	-62.9	151.9	171.6	-59.2	95.1	0	0	0	111.4	R396 W403 Q405	H394-R396 HydrophobicContact CB-CG 4.31Å; H394-R396 PolarHBondContact O-N 3.2Å; H394-W403 PolarHBondContact O-NE1 3.43Å; H394-W403 VanDerWaalsContact O-NE1 3.1Å; H394-Q405 PolarHBondContact ND1-NE2 2.81Å; H394-Q405 PolarHBondContact ND1-OE1 3.31Å
395	W	92.2	Very high	88.5	Confident	58 Å²	58	71.1 Å²	71.1	22%	0.22	35%	0.353	C	S	.	.	P	Polyproline II helix	trans	-64.3	122.3	166	-67.8	118.6	0	0	0	110.3	E378 V379 S380 Y422 W423 R424	E378-W395 HydrophobicContact CB-CB 4.29Å; E378-W395 WeakPolarHBondContact OE2-CB 3.39Å; V379-W395 WeakPolarHBondContact O-CA 3.37Å; S380-W395 VanDerWaalsContact CB-CZ3 3.49Å; W395-Y422 WeakPolarHBondContact CZ3-O 3.4Å; W395-W423 WeakPolarHBondContact CH2-O 3.46Å; W395-W423 VanDerWaalsContact CZ3-C 3.46Å; W395-R424 HydrophobicContact CD2-CB 3.94Å; W395-R424 HydrophobicContact CD2-CG 3.69Å; W395-R424 HydrophobicContact CE3-CB 3.59Å; W395-R424 HydrophobicContact CE3-CG 3.91Å; W395-R424 HydrophobicContact CG-CG 4.2Å; W395-R424 HydrophobicContact CH2-CB 3.86Å; W395-R424 HydrophobicContact CH2-CG 4.06Å; W395-R424 HydrophobicContact CZ2-CB 4.12Å; W395-R424 HydrophobicContact CZ2-CG 3.79Å; W395-R424 HydrophobicContact CZ3-CB 3.58Å; W395-R424 HydrophobicContact CZ3-CG 4.11Å
396	R	92.2	Very high	88.5	Confident	136 Å²	136	76.8 Å²	76.8	51%	0.513	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	149	-175.8	-71.4	-66.2	-159.7	-159.6	5	110.5	E378 V379 H394 A402	E378-R396 CarbonylContact C-O 3.16Å; E378-R396 WeakPolarHBondContact CA-O 3.29Å; V379-R396 VanDerWaalsContact CG2-O 3.29Å; V379-R396 WeakPolarHBondContact CG2-O 3.44Å; V379-R396 PolarHBondContact N-O 3.38Å; V379-R396 PolarHBondContact O-N 2.93Å; H394-R396 HydrophobicContact CB-CG 4.31Å; H394-R396 PolarHBondContact O-N 3.2Å; R396-A402 HydrophobicContact CB-CB 4.4Å; R396-A402 WeakPolarHBondContact CB-O 3.39Å; R396-A402 WeakPolarHBondContact CG-O 3.49Å
397	P	89.8	Confident	88.9	Confident	72 Å²	72	75 Å²	75	47%	0.468	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.9	146.8	171.5	-25.4	35.5	0	0	0	112.5	S377 A402	S377-P397 WeakPolarHBondContact O-CA 3.33Å; P397-A402 VanDerWaalsContact O-CB 3.26Å; P397-A402 WeakPolarHBondContact O-CB 3.46Å
398	Q	88.8	Confident	89.3	Confident	70 Å²	70	73.1 Å²	73.1	33%	0.327	37%	0.366	S	S	.	.	S	Bend	trans	-62.9	146.4	176.3	65.6	171	-18.6	0	0	112.3	V331 V379	V331-Q398 HydrophobicContact CG1-CB 4.49Å; V379-Q398 HydrophobicContact CG2-CB 4.05Å
399	G	86.4	Confident	89.4	Confident	17 Å²	17	66.4 Å²	66.4	18%	0.175	35%	0.346	C	S	.	.	B	Isolated β-bridge	trans	161.6	159.9	-172.7	0	0	0	0	0	112.2	G330 V331 E401 A402	G330-G399 CarbonylContact C-O 3.38Å; G330-G399 VanDerWaalsContact CA-O 3.32Å; G330-G399 WeakPolarHBondContact CA-O 3.03Å; V331-G399 PolarHBondContact N-O 3.19Å; V331-G399 CarbonylContact O-C 3.57Å; V331-G399 PolarHBondContact O-N 3.4Å; G399-E401 PolarHBondContact O-N 3.13Å; G399-A402 WeakPolarHBondContact O-CB 3.49Å; G399-A402 PolarHBondContact O-N 2.67Å
400	K	84	Confident	89.2	Confident	122 Å²	122	69.1 Å²	69.1	53%	0.53	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-32.3	-175.4	-60.4	-167.4	175.7	-175.3	0	114.2	M329 G330 Q332 F459	M329-K400 CarbonylContact C-O 3.59Å; G330-K400 WeakPolarHBondContact CA-O 3.42Å; G330-K400 PolarHBondContact N-O 3.19Å; Q332-K400 HydrophobicContact CG-CG 4.33Å; K400-F459 HydrophobicContact CB-CD2 4.3Å; K400-F459 HydrophobicContact CB-CE2 4.29Å; K400-F459 HydrophobicContact CD-CE1 4.27Å; K400-F459 HydrophobicContact CD-CZ 4.02Å; K400-F459 HydrophobicContact CG-CD2 4.32Å; K400-F459 HydrophobicContact CG-CE1 4.36Å; K400-F459 HydrophobicContact CG-CE2 3.81Å; K400-F459 HydrophobicContact CG-CZ 3.83Å
401	E	86.3	Confident	88.9	Confident	159 Å²	159	67.6 Å²	67.6	74%	0.743	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118.6	34.6	178.7	-58.8	-169.1	136.8	0	0	112	M329 G399 W403	M329-E401 HydrophobicContact CE-CG 4.24Å; M329-E401 CarbonylContact O-C 3.28Å; M329-E401 WeakPolarHBondContact O-CA 3.21Å; G399-E401 PolarHBondContact O-N 3.13Å; E401-W403 PolarHBondContact O-N 2.97Å
402	A	86.1	Confident	88.2	Confident	15 Å²	15	74.3 Å²	74.3	12%	0.124	37%	0.373	C	S	.	.	S	Bend	trans	-54.9	-34.1	-176.6	0	0	0	0	0	114.2	M329 R396 P397 G399	M329-A402 PolarHBondContact O-N 3.02Å; M329-A402 VanDerWaalsContact O-N 3.13Å; R396-A402 HydrophobicContact CB-CB 4.4Å; R396-A402 WeakPolarHBondContact CB-O 3.39Å; R396-A402 WeakPolarHBondContact CG-O 3.49Å; P397-A402 VanDerWaalsContact O-CB 3.26Å; P397-A402 WeakPolarHBondContact O-CB 3.46Å; G399-A402 WeakPolarHBondContact O-CB 3.49Å; G399-A402 PolarHBondContact O-N 2.67Å
403	W	91.3	Very high	87.1	Confident	25 Å²	25	74.4 Å²	74.4	10%	0.095	37%	0.373	C	S	.	.			trans	-121.7	-50.1	-172.4	-52.6	-57.9	0	0	0	114.3	L328 M329 V331 V379 A381 T393 H394 E401 Q405 V421	L328-W403 HydrophobicContact CB-CE3 4.09Å; M329-W403 PolarHBondContact O-N 3.25Å; V331-W403 HydrophobicContact CB-CH2 3.64Å; V331-W403 HydrophobicContact CB-CZ3 3.96Å; V331-W403 HydrophobicContact CG1-CH2 3.34Å; V331-W403 HydrophobicContact CG1-CZ2 3.77Å; V331-W403 HydrophobicContact CG1-CZ3 4.08Å; V379-W403 HydrophobicContact CB-CZ2 4.39Å; V379-W403 HydrophobicContact CG2-CZ2 3.93Å; V379-W403 PolarHBondContact O-NE1 3.43Å; A381-W403 HydrophobicContact CB-CE3 4.45Å; A381-W403 HydrophobicContact CB-CH2 3.51Å; A381-W403 HydrophobicContact CB-CZ2 3.96Å; A381-W403 HydrophobicContact CB-CZ3 3.8Å; T393-W403 HydrophobicContact CG2-CB 4.02Å; T393-W403 HydrophobicContact CG2-CD2 3.82Å; T393-W403 HydrophobicContact CG2-CE3 4.09Å; T393-W403 HydrophobicContact CG2-CG 3.8Å; T393-W403 PolarHBondContact OG1-NE1 3.34Å; T393-W403 VanDerWaalsContact OG1-NE1 3.09Å; H394-W403 PolarHBondContact O-NE1 3.43Å; H394-W403 VanDerWaalsContact O-NE1 3.1Å; E401-W403 PolarHBondContact O-N 2.97Å; W403-Q405 VanDerWaalsContact C-N 3.33Å; W403-Q405 HydrophobicContact CB-CB 4.45Å; W403-Q405 HydrophobicContact CB-CG 4.3Å; W403-Q405 PolarHBondContact O-N 2.78Å; W403-V421 HydrophobicContact CH2-CG1 4.39Å
404	G	84.7	Confident	86.3	Confident	51 Å²	51	74.7 Å²	74.7	53%	0.526	38%	0.375	S	S	.	.			trans	57.5	39	-174.6	0	0	0	0	0	114.2	L328 M329	L328-G404 PolarHBondContact O-N 3.01Å; L328-G404 VanDerWaalsContact O-N 3.16Å; M329-G404 PolarHBondContact O-N 2.99Å
405	Q	90.9	Very high	85.7	Confident	34 Å²	34	73.3 Å²	73.3	16%	0.159	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	123.1	-168.5	-78.3	-172.1	-111.2	0	0	114.5	C327 L328 T393 H394 W403 F407	C327-Q405 CarbonylContact C-O 3.4Å; C327-Q405 WeakPolarHBondContact CA-O 3.47Å; L328-Q405 PolarHBondContact N-O 3.49Å; L328-Q405 PolarHBondContact O-N 3.07Å; T393-Q405 VanDerWaalsContact CA-OE1 3.23Å; T393-Q405 HydrophobicContact CG2-CB 4.37Å; H394-Q405 PolarHBondContact ND1-NE2 2.81Å; H394-Q405 PolarHBondContact ND1-OE1 3.31Å; W403-Q405 VanDerWaalsContact C-N 3.33Å; W403-Q405 HydrophobicContact CB-CB 4.45Å; W403-Q405 HydrophobicContact CB-CG 4.3Å; W403-Q405 PolarHBondContact O-N 2.78Å; Q405-F407 HydrophobicContact CB-CE2 3.88Å; Q405-F407 HydrophobicContact CB-CZ 4.05Å; Q405-F407 WeakPolarHBondContact O-CD2 3.37Å; Q405-F407 WeakPolarHBondContact O-CE2 3.43Å
406	N	90.4	Very high	85.5	Confident	130 Å²	130	72.1 Å²	72.1	70%	0.695	36%	0.362	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.6	138	172.8	-62.8	-11.5	0	0	0	112	V326 C327	V326-N406 CarbonylContact O-C 3.35Å; V326-N406 WeakPolarHBondContact O-CA 3.23Å; C327-N406 VanDerWaalsContact CB-OD1 3.26Å; C327-N406 WeakPolarHBondContact CB-OD1 3.35Å; C327-N406 PolarHBondContact SG-OD1 2.76Å
407	F	92.1	Very high	85.4	Confident	26 Å²	26	65.7 Å²	65.7	11%	0.114	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	146.1	169.8	-56.6	-85.1	0	0	0	108.4	E325 V326 L328 L383 M390 T393 Q405	E325-F407 WeakPolarHBondContact CA-O 3.36Å; V326-F407 PolarHBondContact N-O 3.35Å; V326-F407 PolarHBondContact O-N 3.49Å; L328-F407 HydrophobicContact CB-CE2 4.38Å; L328-F407 HydrophobicContact CD1-CD2 4.44Å; L328-F407 HydrophobicContact CD1-CE2 3.92Å; L328-F407 HydrophobicContact CG-CE2 4.36Å; L383-F407 HydrophobicContact CD2-CB 3.99Å; L383-F407 HydrophobicContact CD2-CD2 4.07Å; L383-F407 HydrophobicContact CD2-CG 4.14Å; M390-F407 HydrophobicContact CE-CB 3.81Å; M390-F407 HydrophobicContact CG-CB 4.44Å; T393-F407 HydrophobicContact CG2-CE2 3.97Å; T393-F407 HydrophobicContact CG2-CZ 3.88Å; Q405-F407 HydrophobicContact CB-CE2 3.88Å; Q405-F407 HydrophobicContact CB-CZ 4.05Å; Q405-F407 WeakPolarHBondContact O-CD2 3.37Å; Q405-F407 WeakPolarHBondContact O-CE2 3.43Å
408	S	90.1	Very high	85.6	Confident	58 Å²	58	62.4 Å²	62.4	41%	0.406	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	144.4	173.9	-176.2	0	0	0	0	111	R323 L324	R323-S408 PolarHBondContact NE-OG 3.1Å; R323-S408 PolarHBondContact NH2-OG 2.8Å; L324-S408 VanDerWaalsContact O-CA 3.25Å; L324-S408 WeakPolarHBondContact O-CA 3.4Å; L324-S408 PolarHBondContact O-OG 3.21Å
409	T	86.8	Confident	85.9	Confident	49 Å²	49	59.1 Å²	59.1	30%	0.301	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	159	179.5	-156.6	0	0	0	0	110.5	L324 V385 M390 L411	L324-T409 HydrophobicContact CB-CG2 4.36Å; L324-T409 PolarHBondContact N-O 3.37Å; L324-T409 PolarHBondContact O-N 3.44Å; V385-T409 HydrophobicContact CG2-CG2 4.44Å; M390-T409 HydrophobicContact CE-CG2 3.74Å; M390-T409 HydrophobicContact CG-CG2 4.16Å; M390-T409 HydrophobicContact SD-CG2 3.72Å; T409-L411 HydrophobicContact CG2-CD2 3.98Å
410	E	84.1	Confident	86.3	Confident	155 Å²	155	58.3 Å²	58.3	72%	0.724	29%	0.293	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.1	127.2	169	-65.6	-175	155.7	0	0	108.1
411	L	81.8	Confident	86.8	Confident	4 Å²	4	52.5 Å²	52.5	2%	0.021	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	127.5	180	-59.7	177.2	0	0	0	108.9	T321 G322 L324 V385 T409 L437 F464	T321-L411 VanDerWaalsContact CA-O 3.29Å; T321-L411 WeakPolarHBondContact CA-O 3.47Å; T321-L411 WeakPolarHBondContact CG2-O 3.4Å; G322-L411 PolarHBondContact N-O 3.11Å; G322-L411 WeakPolarHBondContact O-CB 3.27Å; G322-L411 PolarHBondContact O-N 3.46Å; L324-L411 HydrophobicContact CB-CD1 3.93Å; L324-L411 HydrophobicContact CB-CD2 4.17Å; L324-L411 HydrophobicContact CB-CG 3.97Å; L324-L411 HydrophobicContact CD2-CD1 4.47Å; L324-L411 HydrophobicContact CD2-CD2 4.18Å; V385-L411 HydrophobicContact CG1-CD2 3.73Å; V385-L411 HydrophobicContact CG2-CD2 4.14Å; T409-L411 HydrophobicContact CG2-CD2 3.98Å; L411-L437 HydrophobicContact CD1-CD1 3.95Å; L411-L437 HydrophobicContact CD2-CD1 4.18Å; L411-F464 HydrophobicContact CD1-CD2 4.32Å; L411-F464 HydrophobicContact CD1-CE1 4.14Å; L411-F464 HydrophobicContact CD1-CE2 3.71Å; L411-F464 HydrophobicContact CD1-CZ 3.61Å
412	E	73.9	Confident	87.1	Confident	156 Å²	156	45.9 Å²	45.9	73%	0.729	24%	0.236	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-112.3	96.9	170.8	-68.5	-175	155	0	0	108.5	S414	E412-S414 PolarHBondContact O-N 2.92Å
413	R	70.9	Confident	87.4	Confident	101 Å²	101	45.2 Å²	45.2	38%	0.381	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	58.5	26	177.8	-57.2	163.9	61.5	105.9	-2.4	114.6	S319 L320 T321 E470	S319-R413 WeakPolarHBondContact CB-O 3.41Å; L320-R413 CarbonylContact O-C 3.5Å; L320-R413 WeakPolarHBondContact O-CA 3.49Å; L320-R413 PolarHBondContact O-N 3.13Å; T321-R413 PolarHBondContact OG1-N 2.79Å; R413-E470 WeakPolarHBondContact CD-OE1 3.09Å; R413-E470 VanDerWaalsContact CG-CD 3.41Å; R413-E470 WeakPolarHBondContact CG-OE1 3.38Å; R413-E470 WeakPolarHBondContact CG-OE2 3.17Å; R413-E470 IonicContact CZ-OE1 3.27Å; R413-E470 IonicContact NE-OE1 2.62Å; R413-E470 IonicContact NH1-OE1 2.7Å; R413-E470 PolarHBondContact NH1-OE1 3.27Å
414	S	78.1	Confident	87.3	Confident	12 Å²	12	50.5 Å²	50.5	8%	0.084	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	157	-174.8	-77.4	0	0	0	0	114	S319 L320 V385 D386 E412	S319-S414 WeakPolarHBondContact CA-O 3.46Å; L320-S414 PolarHBondContact N-O 2.69Å; L320-S414 PolarHBondContact O-N 2.96Å; V385-S414 VanDerWaalsContact CG1-OG 3.24Å; V385-S414 WeakPolarHBondContact CG1-OG 3.32Å; D386-S414 WeakPolarHBondContact OD2-CA 3.35Å; D386-S414 WeakPolarHBondContact OD2-CB 3.48Å; D386-S414 PolarHBondContact OD2-OG 2.68Å; E412-S414 PolarHBondContact O-N 2.92Å
415	R	78.8	Confident	87.4	Confident	90 Å²	90	48.9 Å²	48.9	34%	0.34	23%	0.229	S	C	.	.			trans	-121.8	-35.6	-176.4	-67	-171.5	163.6	118.8	9.5	114	P317 D386 L437	P317-R415 HydrophobicContact CB-CB 4.3Å; P317-R415 WeakPolarHBondContact O-CD 3.37Å; P317-R415 PolarHBondContact O-NE 3.03Å; D386-R415 PolarHBondContact OD1-N 3.04Å; D386-R415 PolarHBondContact OD2-N 3.44Å; R415-L437 WeakPolarHBondContact O-CB 3.44Å; R415-L437 PolarHBondContact O-N 3.01Å
416	E	87	Confident	86.9	Confident	33 Å²	33	49.8 Å²	49.8	15%	0.154	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	141	-162.6	-175.2	157.8	102.6	0	0	113.8	R217 V385 D386 F434	R217-E416 IonicContact CZ-OE1 2.75Å; R217-E416 IonicContact CZ-OE2 3.46Å; R217-E416 IonicContact NH1-OE1 3.42Å; R217-E416 PolarHBondContact NH1-OE1 2.91Å; R217-E416 IonicContact NH1-OE2 2.69Å; R217-E416 PolarHBondContact NH1-OE2 2.81Å; R217-E416 IonicContact NH2-OE1 3.24Å; R217-E416 IonicContact NH2-OE2 3.37Å; R217-E416 PolarHBondContact NH2-OE2 3.5Å; V385-E416 VanDerWaalsContact CA-O 3.3Å; V385-E416 WeakPolarHBondContact CA-O 3.23Å; D386-E416 PolarHBondContact N-O 3.27Å; D386-E416 PolarHBondContact OD1-N 2.69Å; E416-F434 HydrophobicContact CG-CD1 4.5Å; E416-F434 WeakPolarHBondContact OE1-CD1 3.1Å
417	L	90.9	Very high	86.7	Confident	0 Å²	0	43.7 Å²	43.7	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	121.5	171.2	-172.6	69.8	0	0	0	109.2	L324 V326 L383 K384 V385 M390 L435 L437 V462	L324-L417 HydrophobicContact CD2-CD1 4.01Å; V326-L417 HydrophobicContact CG2-CD2 4.06Å; L383-L417 HydrophobicContact CD1-CD1 3.74Å; L383-L417 HydrophobicContact CD1-CD2 4.35Å; L383-L417 HydrophobicContact CD1-CG 4.01Å; L383-L417 HydrophobicContact CD2-CD1 4.38Å; L383-L417 HydrophobicContact CG-CD1 3.94Å; K384-L417 WeakPolarHBondContact O-CA 3.23Å; V385-L417 HydrophobicContact CG2-CD1 3.83Å; M390-L417 HydrophobicContact SD-CD1 4.49Å; L417-L435 HydrophobicContact CB-CB 4.32Å; L417-L435 HydrophobicContact CD2-CD1 4.37Å; L417-L435 PolarHBondContact N-O 2.98Å; L417-L435 PolarHBondContact O-N 2.86Å; L417-L437 HydrophobicContact CB-CD2 4.03Å; L417-V462 HydrophobicContact CD2-CG2 4.37Å
418	E	94.1	Very high	86.5	Confident	4 Å²	4	42.6 Å²	42.6	2%	0.019	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	131.3	174.3	175.7	-169.9	137.5	0	0	109.8	K256 L383 K384 K433 F434	K256-E418 WeakPolarHBondContact CE-OE1 3.35Å; K256-E418 WeakPolarHBondContact CE-OE2 3.45Å; K256-E418 VanDerWaalsContact NZ-CD 3.32Å; K256-E418 IonicContact NZ-OE1 3.73Å; K256-E418 PolarHBondContact NZ-OE1 3.16Å; K256-E418 IonicContact NZ-OE2 2.67Å; K256-E418 PolarHBondContact NZ-OE2 3.43Å; L383-E418 WeakPolarHBondContact CA-O 3.4Å; K384-E418 HydrophobicContact CB-CB 4.19Å; K384-E418 WeakPolarHBondContact CD-OE1 3.26Å; K384-E418 VanDerWaalsContact CE-OE1 3.3Å; K384-E418 WeakPolarHBondContact CE-OE1 3.45Å; K384-E418 PolarHBondContact N-O 2.64Å; K384-E418 IonicContact NZ-OE1 2.72Å; K384-E418 PolarHBondContact NZ-OE1 3.42Å; K384-E418 IonicContact NZ-OE2 2.97Å; K384-E418 PolarHBondContact O-N 2.68Å; E418-K433 WeakPolarHBondContact CA-O 3.38Å; E418-F434 HydrophobicContact CB-CD1 4.11Å; E418-F434 HydrophobicContact CB-CE1 4.2Å; E418-F434 HydrophobicContact CG-CD1 4.16Å; E418-F434 HydrophobicContact CG-CE1 3.85Å
419	V	95.1	Very high	86.6	Confident	0 Å²	0	39.9 Å²	39.9	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	121.5	167.1	-175	0	0	0	0	107.8	L328 L383 V421 V432 K433 V458 I460	L328-V419 HydrophobicContact CD2-CG1 4.23Å; L383-V419 HydrophobicContact CD1-CG2 3.86Å; V419-V421 HydrophobicContact CG1-CG2 4.39Å; V419-V432 CarbonylContact O-C 3.59Å; V419-V432 VanDerWaalsContact O-CA 3.31Å; V419-V432 WeakPolarHBondContact O-CA 3.28Å; V419-K433 PolarHBondContact N-O 2.99Å; V419-K433 PolarHBondContact O-N 3.3Å; V419-V458 HydrophobicContact CG1-CG2 4.39Å; V419-I460 HydrophobicContact CG2-CD1 3.85Å
420	A	94.7	Very high	86.8	Confident	0 Å²	0	37.5 Å²	37.5	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	122.5	-179.1	0	0	0	0	0	110.6	A381 V382 Y422 L429 V432	A381-A420 CarbonylContact C-O 3.59Å; A381-A420 WeakPolarHBondContact CA-O 3.46Å; V382-A420 PolarHBondContact N-O 2.75Å; V382-A420 PolarHBondContact O-N 2.87Å; A420-Y422 HydrophobicContact CB-CE2 3.95Å; A420-L429 HydrophobicContact CB-CD1 3.8Å; A420-V432 HydrophobicContact CB-CG1 4.14Å
421	V	94.7	Very high	87.2	Confident	0 Å²	0	30.1 Å²	30.1	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	135.3	-171.8	-171.1	0	0	0	0	111.1	V331 L334 V379 A381 W403 V419 S430 A431 L452	V331-V421 HydrophobicContact CG1-CG1 4.35Å; V331-V421 HydrophobicContact CG2-CG1 4.45Å; L334-V421 HydrophobicContact CD1-CG1 3.82Å; L334-V421 HydrophobicContact CD2-CB 4.32Å; L334-V421 HydrophobicContact CD2-CG1 4.05Å; V379-V421 HydrophobicContact CB-CG1 4.5Å; A381-V421 HydrophobicContact CB-CG2 4.29Å; W403-V421 HydrophobicContact CH2-CG1 4.39Å; V419-V421 HydrophobicContact CG1-CG2 4.39Å; V421-S430 PolarHBondContact O-N 3.18Å; V421-S430 PolarHBondContact O-OG 2.63Å; V421-A431 PolarHBondContact N-O 3.2Å; V421-A431 PolarHBondContact O-N 2.62Å; V421-L452 HydrophobicContact CG2-CD1 3.83Å
422	Y	93.4	Very high	87.7	Confident	20 Å²	20	30 Å²	30	8%	0.078	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	142.7	-173.5	-63.1	-102.2	0	0	0	111.6	E252 V379 S380 V382 W395 A420 A428 L429	E252-Y422 PolarHBondContact OE1-OH 3.47Å; V379-Y422 CarbonylContact C-O 3.57Å; V379-Y422 WeakPolarHBondContact CA-O 3.5Å; S380-Y422 PolarHBondContact N-O 2.87Å; S380-Y422 PolarHBondContact O-N 3.45Å; V382-Y422 HydrophobicContact CB-CE2 4.08Å; V382-Y422 HydrophobicContact CG2-CD2 4.05Å; V382-Y422 HydrophobicContact CG2-CE2 3.62Å; W395-Y422 WeakPolarHBondContact CZ3-O 3.4Å; A420-Y422 HydrophobicContact CB-CE2 3.95Å; Y422-A428 CarbonylContact C-O 3.57Å; Y422-A428 VanDerWaalsContact CA-O 3.27Å; Y422-A428 WeakPolarHBondContact CA-O 3.45Å; Y422-L429 HydrophobicContact CD1-CB 3.95Å; Y422-L429 HydrophobicContact CD1-CD1 4.28Å; Y422-L429 HydrophobicContact CD2-CD1 4.17Å; Y422-L429 HydrophobicContact CE1-CB 3.71Å; Y422-L429 HydrophobicContact CE1-CD1 3.85Å; Y422-L429 HydrophobicContact CE1-CG 4.38Å; Y422-L429 HydrophobicContact CE2-CD1 3.7Å; Y422-L429 HydrophobicContact CG-CD1 4.42Å
423	W	91.6	Very high	88.6	Confident	2 Å²	2	23.7 Å²	23.7	1%	0.008	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	153.2	161.8	-69.2	113.7	0	0	0	111.6	L334 L335 E336 S376 V379 W395 D425 R427 A428 S430	L334-W423 HydrophobicContact CB-CZ2 3.82Å; L334-W423 HydrophobicContact CD1-CZ2 4.43Å; L335-W423 PolarHBondContact O-NE1 3.2Å; E336-W423 HydrophobicContact CG-CZ2 4.2Å; S376-W423 WeakPolarHBondContact O-CZ3 3.5Å; V379-W423 HydrophobicContact CG1-CD2 3.79Å; V379-W423 HydrophobicContact CG1-CE3 3.27Å; V379-W423 HydrophobicContact CG1-CH2 4.11Å; V379-W423 HydrophobicContact CG1-CZ3 3.46Å; V379-W423 VanDerWaalsContact CG1-CZ3 3.46Å; W395-W423 WeakPolarHBondContact CH2-O 3.46Å; W395-W423 VanDerWaalsContact CZ3-C 3.46Å; W423-D425 PolarHBondContact O-N 2.97Å; W423-D425 VanDerWaalsContact O-N 3.15Å; W423-R427 HydrophobicContact CB-CB 4.1Å; W423-R427 VanDerWaalsContact CD2-CZ 3.47Å; W423-R427 VanDerWaalsContact CD2-NH2 3.32Å; W423-R427 VanDerWaalsContact CE3-NH2 3.25Å; W423-R427 HydrophobicContact CG-CB 4.16Å; W423-A428 PolarHBondContact N-O 3.11Å; W423-S430 VanDerWaalsContact CD1-CB 3.43Å
424	R	89.3	Confident	89.4	Confident	135 Å²	135	19.8 Å²	19.8	51%	0.509	8%	0.081	S	C	.	.	S	Bend	trans	-82.9	29.6	178.1	-159.1	179.9	167.5	172.9	-6.7	114.2	E378 W395	E378-R424 HydrophobicContact CB-CB 4.11Å; E378-R424 WeakPolarHBondContact O-CB 3.34Å; E378-R424 PolarHBondContact O-N 3.08Å; E378-R424 IonicContact OE1-NH1 2.72Å; E378-R424 WeakPolarHBondContact OE2-CD 3.31Å; E378-R424 IonicContact OE2-CZ 2.83Å; E378-R424 IonicContact OE2-NE 2.69Å; E378-R424 IonicContact OE2-NH1 3.86Å; E378-R424 PolarHBondContact OE2-NH1 3.45Å; W395-R424 HydrophobicContact CD2-CB 3.94Å; W395-R424 HydrophobicContact CD2-CG 3.69Å; W395-R424 HydrophobicContact CE3-CB 3.59Å; W395-R424 HydrophobicContact CE3-CG 3.91Å; W395-R424 HydrophobicContact CG-CG 4.2Å; W395-R424 HydrophobicContact CH2-CB 3.86Å; W395-R424 HydrophobicContact CH2-CG 4.06Å; W395-R424 HydrophobicContact CZ2-CB 4.12Å; W395-R424 HydrophobicContact CZ2-CG 3.79Å; W395-R424 HydrophobicContact CZ3-CB 3.58Å; W395-R424 HydrophobicContact CZ3-CG 4.11Å
425	D	85.7	Confident	89.7	Confident	17 Å²	17	20 Å²	20	9%	0.091	8%	0.082	C	C	.	.	S	Bend	trans	-146.3	-161.3	-177.2	59.2	47.2	0	0	0	111.9	F346 S376 W423 R427 A428	F346-D425 WeakPolarHBondContact CZ-O 3.47Å; S376-D425 PolarHBondContact N-OD2 3.14Å; W423-D425 PolarHBondContact O-N 2.97Å; W423-D425 VanDerWaalsContact O-N 3.15Å; D425-R427 PolarHBondContact O-N 3.36Å; D425-R427 VanDerWaalsContact OD1-CB 3.25Å; D425-R427 WeakPolarHBondContact OD1-CB 3.02Å; D425-R427 VanDerWaalsContact OD1-CG 3.3Å; D425-R427 WeakPolarHBondContact OD1-CG 3.17Å; D425-R427 IonicContact OD1-CZ 3.64Å; D425-R427 PolarHBondContact OD1-N 3.14Å; D425-R427 IonicContact OD1-NE 2.72Å; D425-R427 PolarHBondContact OD1-NE 3.37Å; D425-R427 IonicContact OD1-NH2 3.37Å; D425-R427 IonicContact OD2-CZ 2.79Å; D425-R427 IonicContact OD2-NE 2.74Å; D425-R427 PolarHBondContact OD2-NE 2.9Å; D425-R427 IonicContact OD2-NH2 3.37Å; D425-R427 PolarHBondContact OD2-NH2 3.49Å; D425-A428 PolarHBondContact O-N 2.91Å
426	W	81.4	Confident	89.8	Confident	53 Å²	53	19 Å²	19	20%	0.201	8%	0.078	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-17.9	-175.8	61.2	-99.4	0	0	0	114.4	R341 A343 F346 L375 A428	R341-W426 HydrophobicContact CB-CE3 3.77Å; R341-W426 HydrophobicContact CB-CZ3 3.76Å; A343-W426 HydrophobicContact CB-CD2 4.45Å; A343-W426 HydrophobicContact CB-CG 4.04Å; F346-W426 HydrophobicContact CB-CB 3.91Å; F346-W426 HydrophobicContact CD1-CB 4.42Å; F346-W426 HydrophobicContact CD2-CB 4.04Å; F346-W426 HydrophobicContact CG-CB 3.89Å; L375-W426 HydrophobicContact CD2-CZ2 3.88Å; W426-A428 PolarHBondContact O-N 2.96Å
427	R	86.9	Confident	89.3	Confident	3 Å²	3	17.4 Å²	17.4	1%	0.011	7%	0.07	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-27.5	176.6	-62.5	174.9	-73.6	172.5	3.2	112.1	E336 V338 S376 W423 D425 L429	E336-R427 WeakPolarHBondContact O-CD 3.38Å; V338-R427 HydrophobicContact CB-CB 4.47Å; V338-R427 HydrophobicContact CG2-CB 4Å; S376-R427 PolarHBondContact O-NH2 3.16Å; W423-R427 HydrophobicContact CB-CB 4.1Å; W423-R427 VanDerWaalsContact CD2-CZ 3.47Å; W423-R427 VanDerWaalsContact CD2-NH2 3.32Å; W423-R427 VanDerWaalsContact CE3-NH2 3.25Å; W423-R427 HydrophobicContact CG-CB 4.16Å; D425-R427 PolarHBondContact O-N 3.36Å; D425-R427 VanDerWaalsContact OD1-CB 3.25Å; D425-R427 WeakPolarHBondContact OD1-CB 3.02Å; D425-R427 VanDerWaalsContact OD1-CG 3.3Å; D425-R427 WeakPolarHBondContact OD1-CG 3.17Å; D425-R427 IonicContact OD1-CZ 3.64Å; D425-R427 PolarHBondContact OD1-N 3.14Å; D425-R427 IonicContact OD1-NE 2.72Å; D425-R427 PolarHBondContact OD1-NE 3.37Å; D425-R427 IonicContact OD1-NH2 3.37Å; D425-R427 IonicContact OD2-CZ 2.79Å; D425-R427 IonicContact OD2-NE 2.74Å; D425-R427 PolarHBondContact OD2-NE 2.9Å; D425-R427 IonicContact OD2-NH2 3.37Å; D425-R427 PolarHBondContact OD2-NH2 3.49Å; R427-L429 PolarHBondContact O-N 3.43Å
428	A	87.6	Confident	88.2	Confident	3 Å²	3	19.5 Å²	19.5	3%	0.025	8%	0.08	C	C	.	.			trans	51.7	-129.4	177.8	0	0	0	0	0	112.9	Y422 W423 D425 W426 S430	Y422-A428 CarbonylContact C-O 3.57Å; Y422-A428 VanDerWaalsContact CA-O 3.27Å; Y422-A428 WeakPolarHBondContact CA-O 3.45Å; W423-A428 PolarHBondContact N-O 3.11Å; D425-A428 PolarHBondContact O-N 2.91Å; W426-A428 PolarHBondContact O-N 2.96Å; A428-S430 PolarHBondContact O-N 2.71Å
429	L	91.1	Very high	86.9	Confident	0 Å²	0	22 Å²	22	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.2	119	177.2	-176.9	76.1	0	0	0	110.1	Q255 K256 L259 A420 Y422 R427 V432	Q255-L429 HydrophobicContact CB-CB 4.21Å; Q255-L429 HydrophobicContact CB-CD2 3.89Å; K256-L429 HydrophobicContact CG-CD2 3.81Å; L259-L429 HydrophobicContact CD1-CD2 3.86Å; L259-L429 HydrophobicContact CD1-CG 3.79Å; A420-L429 HydrophobicContact CB-CD1 3.8Å; Y422-L429 HydrophobicContact CD1-CB 3.95Å; Y422-L429 HydrophobicContact CD1-CD1 4.28Å; Y422-L429 HydrophobicContact CD2-CD1 4.17Å; Y422-L429 HydrophobicContact CE1-CB 3.71Å; Y422-L429 HydrophobicContact CE1-CD1 3.85Å; Y422-L429 HydrophobicContact CE1-CG 4.38Å; Y422-L429 HydrophobicContact CE2-CD1 3.7Å; Y422-L429 HydrophobicContact CG-CD1 4.42Å; R427-L429 PolarHBondContact O-N 3.43Å; L429-V432 HydrophobicContact CD1-CG1 3.94Å; L429-V432 HydrophobicContact CD2-CG1 4.03Å; L429-V432 HydrophobicContact CG-CG1 4.29Å
430	S	90.8	Very high	85.8	Confident	0 Å²	0	22.3 Å²	22.3	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	-23	-176	52.6	0	0	0	0	114.8	L259 V421 W423 A428	L259-S430 WeakPolarHBondContact CD2-O 3.31Å; V421-S430 PolarHBondContact O-N 3.18Å; V421-S430 PolarHBondContact O-OG 2.63Å; W423-S430 VanDerWaalsContact CD1-CB 3.43Å; A428-S430 PolarHBondContact O-N 2.71Å
431	A	92.4	Very high	84.2	Confident	0 Å²	0	24.5 Å²	24.5	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.9	149.2	-180	0	0	0	0	0	113	L334 V421 L452 E453 Q455	L334-A431 HydrophobicContact CD2-CB 3.56Å; V421-A431 PolarHBondContact N-O 3.2Å; V421-A431 PolarHBondContact O-N 2.62Å; A431-L452 HydrophobicContact CB-CB 3.74Å; A431-L452 HydrophobicContact CB-CD1 3.68Å; A431-L452 HydrophobicContact CB-CG 4.35Å; A431-E453 CarbonylContact C-O 3.56Å; A431-E453 VanDerWaalsContact CA-O 3.3Å; A431-E453 WeakPolarHBondContact CA-O 3.25Å; A431-Q455 WeakPolarHBondContact CB-O 3.31Å
432	V	93.3	Very high	82.4	Confident	0 Å²	0	25.8 Å²	25.8	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	152.6	179.9	-67.1	0	0	0	0	113.4	K256 L259 V419 A420 L429 F434 E453	K256-V432 HydrophobicContact CG-CG1 4.31Å; L259-V432 HydrophobicContact CD1-CG1 4.43Å; V419-V432 CarbonylContact O-C 3.59Å; V419-V432 VanDerWaalsContact O-CA 3.31Å; V419-V432 WeakPolarHBondContact O-CA 3.28Å; A420-V432 HydrophobicContact CB-CG1 4.14Å; L429-V432 HydrophobicContact CD1-CG1 3.94Å; L429-V432 HydrophobicContact CD2-CG1 4.03Å; L429-V432 HydrophobicContact CG-CG1 4.29Å; V432-F434 HydrophobicContact CG2-CE2 4.27Å; V432-E453 HydrophobicContact CG2-CB 4.35Å; V432-E453 PolarHBondContact N-O 3.35Å; V432-E453 PolarHBondContact O-N 2.98Å
433	K	92.4	Very high	80.6	Confident	25 Å²	25	28.3 Å²	28.3	11%	0.109	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	142.7	166	-161.3	63	162.1	-149.8	0	111.4	E418 V419 E451 L452 E453	E418-K433 WeakPolarHBondContact CA-O 3.38Å; V419-K433 PolarHBondContact N-O 2.99Å; V419-K433 PolarHBondContact O-N 3.3Å; K433-E451 WeakPolarHBondContact CD-O 3.33Å; K433-E451 WeakPolarHBondContact CE-O 3.13Å; K433-E451 PolarHBondContact NZ-O 3.3Å; K433-L452 HydrophobicContact CB-CD2 3.7Å; K433-E453 IonicContact NZ-OE1 3.62Å; K433-E453 PolarHBondContact NZ-OE1 3.12Å
434	F	87.6	Confident	79.3	Confident	18 Å²	18	32.3 Å²	32.3	8%	0.079	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	137.1	174.3	-56.6	-87.3	0	0	0	108.9	K256 E416 E418 V432	K256-F434 HydrophobicContact CD-CZ 4.46Å; E416-F434 HydrophobicContact CG-CD1 4.5Å; E416-F434 WeakPolarHBondContact OE1-CD1 3.1Å; E418-F434 HydrophobicContact CB-CD1 4.11Å; E418-F434 HydrophobicContact CB-CE1 4.2Å; E418-F434 HydrophobicContact CG-CD1 4.16Å; E418-F434 HydrophobicContact CG-CE1 3.85Å; V432-F434 HydrophobicContact CG2-CE2 4.27Å
435	L	85	Confident	78.4	Confident	18 Å²	18	34.3 Å²	34.3	9%	0.094	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	134.7	-178.5	-64.5	170	0	0	0	109.4	L417 F440 L450	L417-L435 HydrophobicContact CB-CB 4.32Å; L417-L435 HydrophobicContact CD2-CD1 4.37Å; L417-L435 PolarHBondContact N-O 2.98Å; L417-L435 PolarHBondContact O-N 2.86Å; L435-F440 HydrophobicContact CB-CE2 4.24Å; L435-F440 HydrophobicContact CD1-CZ 4.38Å; L435-L450 HydrophobicContact CD1-CD1 3.66Å; L435-L450 HydrophobicContact CD2-CD1 3.9Å; L435-L450 HydrophobicContact CD2-CD2 4.48Å; L435-L450 HydrophobicContact CG-CD1 4.26Å
436	R	80.3	Confident	77.7	Confident	67 Å²	67	35.6 Å²	35.6	25%	0.253	16%	0.156	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	129.7	177.6	-46.5	-172.7	-174.9	-166	1	109.3	P317 E438 D439 F440	P317-R436 HydrophobicContact CG-CG 4.37Å; R436-E438 HydrophobicContact CB-CG 3.83Å; R436-E438 WeakPolarHBondContact CD-OE1 3.37Å; R436-E438 IonicContact CZ-OE1 2.68Å; R436-E438 IonicContact NE-OE1 2.64Å; R436-E438 IonicContact NH1-OE1 3.16Å; R436-E438 PolarHBondContact NH1-OE1 3.43Å; R436-E438 PolarHBondContact O-N 3.17Å; R436-D439 WeakPolarHBondContact O-CB 3.4Å; R436-D439 PolarHBondContact O-N 2.87Å; R436-D439 VanDerWaalsContact O-N 3.15Å; R436-F440 WeakPolarHBondContact O-CD2 3.25Å; R436-F440 WeakPolarHBondContact O-CE2 3.15Å
437	L	77.8	Confident	77.7	Confident	0 Å²	0	35.5 Å²	35.5	0%	0	17%	0.172	C	C	.	.	G	3₁₀ helix	trans	-66.6	-18.5	178.7	-67.4	171.7	0	0	0	112.4	L320 L324 V385 L411 R415 L417 D439 F440	L320-L437 HydrophobicContact CD1-CB 3.78Å; L324-L437 HydrophobicContact CD1-CD2 4.21Å; L324-L437 HydrophobicContact CD2-CD2 3.92Å; V385-L437 HydrophobicContact CG1-CD1 4.35Å; L411-L437 HydrophobicContact CD1-CD1 3.95Å; L411-L437 HydrophobicContact CD2-CD1 4.18Å; R415-L437 WeakPolarHBondContact O-CB 3.44Å; R415-L437 PolarHBondContact O-N 3.01Å; L417-L437 HydrophobicContact CB-CD2 4.03Å; L437-D439 PolarHBondContact O-N 3.34Å; L437-F440 PolarHBondContact O-N 2.83Å
438	E	67.6	Low	77.4	Confident	45 Å²	45	38.5 Å²	38.5	21%	0.21	19%	0.187	C	C	.	.	G	3₁₀ helix	trans	-68.1	-15	174.6	74.5	-165.8	177.2	0	0	114.3	P317 A318 L320 R436 F440 L441	P317-E438 WeakPolarHBondContact CA-OE2 3.46Å; A318-E438 HydrophobicContact CB-CB 4.38Å; A318-E438 PolarHBondContact N-OE2 2.98Å; L320-E438 HydrophobicContact CD1-CB 4.08Å; L320-E438 VanDerWaalsContact CD1-N 3.33Å; R436-E438 HydrophobicContact CB-CG 3.83Å; R436-E438 WeakPolarHBondContact CD-OE1 3.37Å; R436-E438 IonicContact CZ-OE1 2.68Å; R436-E438 IonicContact NE-OE1 2.64Å; R436-E438 IonicContact NH1-OE1 3.16Å; R436-E438 PolarHBondContact NH1-OE1 3.43Å; R436-E438 PolarHBondContact O-N 3.17Å; E438-F440 VanDerWaalsContact C-N 3.34Å; E438-L441 HydrophobicContact CB-CD1 4.38Å; E438-L441 VanDerWaalsContact O-CD1 3.31Å; E438-L441 WeakPolarHBondContact O-CD1 3.28Å; E438-L441 WeakPolarHBondContact O-CG 3.45Å
439	D	66.9	Low	77.2	Confident	57 Å²	57	42.3 Å²	42.3	31%	0.305	21%	0.212	S	C	.	.	G	3₁₀ helix	trans	-79.6	-14.9	177.4	-66.1	-39.8	0	0	0	113.2	R127 R436 L437	R127-D439 IonicContact CZ-OD1 3.16Å; R127-D439 IonicContact NH1-OD1 3.9Å; R127-D439 PolarHBondContact NH1-OD1 2.62Å; R127-D439 IonicContact NH2-OD1 2.75Å; R127-D439 PolarHBondContact NH2-OD1 3.17Å; R436-D439 WeakPolarHBondContact O-CB 3.4Å; R436-D439 PolarHBondContact O-N 2.87Å; R436-D439 VanDerWaalsContact O-N 3.15Å; L437-D439 PolarHBondContact O-N 3.34Å
440	F	70.4	Confident	76.9	Confident	5 Å²	5	43.2 Å²	43.2	2%	0.022	22%	0.217	C	C	.	.	G	3₁₀ helix	trans	-109.5	14.8	-169.7	-58.7	-83.6	0	0	0	114.6	L435 R436 L437 E438 D442 H446 M448 V462 F464	L435-F440 HydrophobicContact CB-CE2 4.24Å; L435-F440 HydrophobicContact CD1-CZ 4.38Å; R436-F440 WeakPolarHBondContact O-CD2 3.25Å; R436-F440 WeakPolarHBondContact O-CE2 3.15Å; L437-F440 PolarHBondContact O-N 2.83Å; E438-F440 VanDerWaalsContact C-N 3.34Å; F440-D442 PolarHBondContact O-N 3.24Å; F440-H446 HydrophobicContact CD1-CB 4.23Å; F440-H446 AromaticContact CD1-CG 3.92Å; F440-H446 AromaticContact CD1-ND1 3.89Å; F440-H446 HydrophobicContact CE1-CB 4.26Å; F440-M448 HydrophobicContact CE1-SD 3.67Å; F440-M448 HydrophobicContact CZ-SD 3.99Å; F440-V462 HydrophobicContact CB-CG1 4.43Å; F440-V462 HydrophobicContact CD1-CB 3.81Å; F440-V462 HydrophobicContact CD1-CG1 3.65Å; F440-V462 HydrophobicContact CD2-CG1 4.35Å; F440-V462 HydrophobicContact CE1-CB 3.72Å; F440-V462 HydrophobicContact CE1-CG1 3.93Å; F440-V462 HydrophobicContact CE1-CG2 4.06Å; F440-V462 HydrophobicContact CG-CG1 3.88Å; F440-V462 HydrophobicContact CZ-CB 4.39Å; F440-V462 HydrophobicContact CZ-CG1 4.4Å; F440-V462 HydrophobicContact CZ-CG2 4.32Å; F440-F464 HydrophobicContact CB-CB 4.22Å
441	L	62	Low	76.6	Confident	47 Å²	47	48.8 Å²	48.8	25%	0.246	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.2	9.3	-166.5	-67.6	173.4	0	0	0	117	L320 E438 F464 P467 I469	L320-L441 HydrophobicContact CD1-CD2 3.89Å; L320-L441 HydrophobicContact CD2-CD2 3.79Å; L320-L441 HydrophobicContact CG-CD2 4.4Å; E438-L441 HydrophobicContact CB-CD1 4.38Å; E438-L441 VanDerWaalsContact O-CD1 3.31Å; E438-L441 WeakPolarHBondContact O-CD1 3.28Å; E438-L441 WeakPolarHBondContact O-CG 3.45Å; L441-F464 HydrophobicContact CD2-CD1 4.31Å; L441-F464 HydrophobicContact CD2-CE1 3.98Å; L441-P467 HydrophobicContact CD2-CB 3.71Å; L441-P467 HydrophobicContact CD2-CG 4.45Å; L441-P467 WeakPolarHBondContact O-CG 3.31Å; L441-I469 HydrophobicContact CD1-CD1 4.15Å; L441-I469 HydrophobicContact CD2-CG1 4.49Å
442	D	57.1	Low	76.5	Confident	27 Å²	27	49 Å²	49	14%	0.144	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.5	5.7	-168.8	92.3	-19.4	0	0	0	116.1	Q134 F440 R444 H446	Q134-D442 HydrophobicContact CG-CB 4.47Å; Q134-D442 PolarHBondContact NE2-OD2 2.68Å; F440-D442 PolarHBondContact O-N 3.24Å; D442-R444 VanDerWaalsContact C-N 3.25Å; D442-R444 PolarHBondContact O-N 2.95Å; D442-R444 WeakPolarHBondContact OD1-CB 3.3Å; D442-R444 VanDerWaalsContact OD1-CG 3.26Å; D442-R444 WeakPolarHBondContact OD1-CG 3.4Å; D442-R444 PolarHBondContact OD1-N 2.93Å; D442-R444 VanDerWaalsContact OD2-CD 3.26Å; D442-R444 WeakPolarHBondContact OD2-CD 3.43Å; D442-R444 IonicContact OD2-CZ 2.64Å; D442-R444 IonicContact OD2-NE 3.97Å; D442-R444 IonicContact OD2-NH1 3.49Å; D442-R444 PolarHBondContact OD2-NH1 2.98Å; D442-H446 IonicContact OD1-CE1 2.78Å; D442-H446 PolarHBondContact OD1-CE1 2.88Å; D442-H446 IonicContact OD1-NE2 3.26Å
443	N	55.2	Low	76.4	Confident	73 Å²	73	49.3 Å²	49.3	39%	0.39	25%	0.246	S	C	.	.	S	Bend	trans	61.7	23.1	-176.7	-58.9	-101.7	0	0	0	114.8	F464 N466 P467	N443-F464 WeakPolarHBondContact CA-O 3.37Å; N443-F464 PolarHBondContact OD1-O 2.95Å; N443-N466 PolarHBondContact OD1-N 3.49Å; N443-P467 WeakPolarHBondContact ND2-CD 3.32Å; N443-P467 WeakPolarHBondContact OD1-CD 3.4Å
444	R	64.1	Low	76.1	Confident	86 Å²	86	48.6 Å²	48.6	33%	0.325	24%	0.244	S	C	.	.			trans	-98.6	158	172.1	-61.3	-177.2	178.7	135.8	-9	113.1	D442 H446	D442-R444 VanDerWaalsContact C-N 3.25Å; D442-R444 PolarHBondContact O-N 2.95Å; D442-R444 WeakPolarHBondContact OD1-CB 3.3Å; D442-R444 VanDerWaalsContact OD1-CG 3.26Å; D442-R444 WeakPolarHBondContact OD1-CG 3.4Å; D442-R444 PolarHBondContact OD1-N 2.93Å; D442-R444 VanDerWaalsContact OD2-CD 3.26Å; D442-R444 WeakPolarHBondContact OD2-CD 3.43Å; D442-R444 IonicContact OD2-CZ 2.64Å; D442-R444 IonicContact OD2-NE 3.97Å; D442-R444 IonicContact OD2-NH1 3.49Å; D442-R444 PolarHBondContact OD2-NH1 2.98Å; R444-H446 PolarHBondContact O-CE1 2.75Å; R444-H446 PolarHBondContact O-ND1 3.2Å
445	R	71.1	Confident	76.2	Confident	177 Å²	177	51 Å²	51	67%	0.668	26%	0.255	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.8	103.9	169.6	-174.3	170.1	-177.5	-133.1	-17.1	108.4	E461 T463	R445-E461 VanDerWaalsContact CG-CD 3.43Å; R445-E461 HydrophobicContact CG-CG 3.7Å; R445-E461 WeakPolarHBondContact CG-OE1 3.4Å; R445-E461 VanDerWaalsContact CZ-CD 3.47Å; R445-E461 IonicContact CZ-OE1 2.71Å; R445-E461 IonicContact CZ-OE2 2.69Å; R445-E461 IonicContact NE-OE1 3.13Å; R445-E461 PolarHBondContact NE-OE1 2.89Å; R445-E461 IonicContact NE-OE2 3.87Å; R445-E461 PolarHBondContact NE-OE2 3.01Å; R445-E461 VanDerWaalsContact NH2-CD 3.25Å; R445-E461 IonicContact NH2-OE1 2.93Å; R445-E461 PolarHBondContact NH2-OE1 3.44Å; R445-E461 IonicContact NH2-OE2 2.76Å; R445-E461 PolarHBondContact NH2-OE2 3.48Å; R445-T463 WeakPolarHBondContact CA-OG1 3.5Å; R445-T463 HydrophobicContact CB-CG2 4.45Å; R445-T463 WeakPolarHBondContact CB-OG1 3.46Å; R445-T463 WeakPolarHBondContact CG-OG1 3.33Å
446	H	71.3	Confident	76.3	Confident	44 Å²	44	50.5 Å²	50.5	20%	0.204	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	97.1	-176.4	-63	77.4	0	0	0	109.7	F440 D442 R444 M448 E461 V462	F440-H446 HydrophobicContact CD1-CB 4.23Å; F440-H446 AromaticContact CD1-CG 3.92Å; F440-H446 AromaticContact CD1-ND1 3.89Å; F440-H446 HydrophobicContact CE1-CB 4.26Å; D442-H446 IonicContact OD1-CE1 2.78Å; D442-H446 PolarHBondContact OD1-CE1 2.88Å; D442-H446 IonicContact OD1-NE2 3.26Å; R444-H446 PolarHBondContact O-CE1 2.75Å; R444-H446 PolarHBondContact O-ND1 3.2Å; H446-M448 HydrophobicContact CB-CG 4.25Å; H446-M448 HydrophobicContact CB-SD 4.47Å; H446-E461 CarbonylContact O-C 3.51Å; H446-E461 VanDerWaalsContact O-CA 3.23Å; H446-E461 WeakPolarHBondContact O-CA 3.48Å; H446-V462 WeakPolarHBondContact CB-O 3.31Å; H446-V462 PolarHBondContact N-O 2.97Å; H446-V462 PolarHBondContact ND1-O 3.41Å; H446-V462 PolarHBondContact O-N 3.35Å
447	G	80.3	Confident	76.8	Confident	51 Å²	51	49.6 Å²	49.6	53%	0.526	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73	127	166.1	0	0	0	0	0	109.8
448	M	80.6	Confident	77.4	Confident	66 Å²	66	49.6 Å²	49.6	33%	0.325	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	140	-173.9	-57	-171.5	83.1	0	0	112.5	F440 H446 L450 I460	F440-M448 HydrophobicContact CE1-SD 3.67Å; F440-M448 HydrophobicContact CZ-SD 3.99Å; H446-M448 HydrophobicContact CB-CG 4.25Å; H446-M448 HydrophobicContact CB-SD 4.47Å; M448-L450 HydrophobicContact CB-CD2 4.14Å; M448-L450 HydrophobicContact CB-CG 4.08Å; M448-L450 HydrophobicContact CE-CD2 3.88Å; M448-L450 HydrophobicContact SD-CD2 4.34Å; M448-I460 HydrophobicContact CB-CG2 4.02Å; M448-I460 PolarHBondContact N-O 3.3Å; M448-I460 PolarHBondContact O-N 3.18Å; M448-I460 VanDerWaalsContact O-N 3.08Å
449	C	83.6	Confident	78.5	Confident	83 Å²	83	48.6 Å²	48.6	56%	0.561	25%	0.249	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-99.6	117.6	164.9	-173.2	0	0	0	0	106.7	I457	C449-I457 WeakPolarHBondContact SG-CG2 3.24Å
450	L	84.4	Confident	79.6	Confident	19 Å²	19	46 Å²	46	10%	0.099	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	122.4	-174.7	-62	178.2	0	0	0	111.7	L435 M448 L452 I457 V458 I460	L435-L450 HydrophobicContact CD1-CD1 3.66Å; L435-L450 HydrophobicContact CD2-CD1 3.9Å; L435-L450 HydrophobicContact CD2-CD2 4.48Å; L435-L450 HydrophobicContact CG-CD1 4.26Å; M448-L450 HydrophobicContact CB-CD2 4.14Å; M448-L450 HydrophobicContact CB-CG 4.08Å; M448-L450 HydrophobicContact CE-CD2 3.88Å; M448-L450 HydrophobicContact SD-CD2 4.34Å; L450-L452 PolarHBondContact O-N 3.3Å; L450-I457 CarbonylContact O-C 3.59Å; L450-I457 WeakPolarHBondContact O-CA 3.43Å; L450-V458 HydrophobicContact CB-CG1 3.81Å; L450-V458 HydrophobicContact CD1-CG1 4.32Å; L450-V458 PolarHBondContact N-O 2.75Å; L450-V458 PolarHBondContact O-N 3.21Å; L450-I460 HydrophobicContact CD1-CG2 3.52Å; L450-I460 HydrophobicContact CG-CG2 4.02Å
451	E	86.3	Confident	80.5	Confident	117 Å²	117	47.3 Å²	47.3	55%	0.547	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.9	133.7	164.2	-66.7	176.7	-162.7	0	0	110.3	R267 K433 G456	R267-E451 IonicContact NH2-OE2 2.71Å; K433-E451 WeakPolarHBondContact CD-O 3.33Å; K433-E451 WeakPolarHBondContact CE-O 3.13Å; K433-E451 PolarHBondContact NZ-O 3.3Å; E451-G456 CarbonylContact C-O 3.53Å; E451-G456 WeakPolarHBondContact CA-O 3.3Å
452	L	89.6	Confident	81.5	Confident	4 Å²	4	45.1 Å²	45.1	2%	0.021	23%	0.23	C	C	.	.	P	Polyproline II helix	trans	-98.8	151.8	172.7	-57	175.4	0	0	0	110.2	V331 L334 V421 A431 K433 L450 P454 Q455 G456 V458	V331-L452 HydrophobicContact CG2-CD1 3.82Å; L334-L452 HydrophobicContact CD2-CD1 3.89Å; V421-L452 HydrophobicContact CG2-CD1 3.83Å; A431-L452 HydrophobicContact CB-CB 3.74Å; A431-L452 HydrophobicContact CB-CD1 3.68Å; A431-L452 HydrophobicContact CB-CG 4.35Å; K433-L452 HydrophobicContact CB-CD2 3.7Å; L450-L452 PolarHBondContact O-N 3.3Å; L452-P454 CarbonylContact O-C 3.56Å; L452-Q455 CarbonylContact O-C 3.57Å; L452-Q455 WeakPolarHBondContact O-CA 3.33Å; L452-Q455 PolarHBondContact O-N 3.49Å; L452-G456 PolarHBondContact N-O 2.95Å; L452-V458 HydrophobicContact CD1-CB 4.26Å; L452-V458 HydrophobicContact CD2-CB 3.9Å; L452-V458 HydrophobicContact CD2-CG1 3.5Å; L452-V458 HydrophobicContact CG-CB 4.25Å; L452-V458 HydrophobicContact CG-CG1 4.24Å
453	E	90.8	Very high	82.7	Confident	6 Å²	6	44.7 Å²	44.7	3%	0.028	23%	0.228	C	C	.	.	B	Isolated β-bridge	trans	-89.3	129.4	173.6	-51.5	-53	146.8	0	0	110.3	R210 L214 S263 A431 V432 K433	R210-E453 IonicContact CZ-OE1 3.75Å; R210-E453 IonicContact NE-OE1 3.22Å; R210-E453 IonicContact NH2-OE1 3.7Å; R210-E453 PolarHBondContact NH2-OE1 3.48Å; L214-E453 HydrophobicContact CD2-CG 4.09Å; S263-E453 WeakPolarHBondContact CB-OE2 3.31Å; S263-E453 PolarHBondContact OG-OE2 2.97Å; A431-E453 CarbonylContact C-O 3.56Å; A431-E453 VanDerWaalsContact CA-O 3.3Å; A431-E453 WeakPolarHBondContact CA-O 3.25Å; V432-E453 HydrophobicContact CG2-CB 4.35Å; V432-E453 PolarHBondContact N-O 3.35Å; V432-E453 PolarHBondContact O-N 2.98Å; K433-E453 IonicContact NZ-OE1 3.62Å; K433-E453 PolarHBondContact NZ-OE1 3.12Å
454	P	86.9	Confident	83.8	Confident	11 Å²	11	41.2 Å²	41.2	7%	0.071	21%	0.21	C	C	.	.	S	Bend	cis	-91.6	-2.3	-1.7	38.7	-36.8	0	0	0	113.4	L259 L262 R266 L335 L452	L259-P454 HydrophobicContact CD2-CG 4.21Å; L262-P454 HydrophobicContact CB-CB 4.19Å; L262-P454 HydrophobicContact CB-CG 4.34Å; L262-P454 HydrophobicContact CD2-CB 4.26Å; L262-P454 HydrophobicContact CD2-CG 3.86Å; L262-P454 HydrophobicContact CG-CB 4.02Å; L262-P454 HydrophobicContact CG-CG 4.16Å; R266-P454 PolarHBondContact NH1-O 2.9Å; L335-P454 HydrophobicContact CD2-CG 3.87Å; L452-P454 CarbonylContact O-C 3.56Å
455	Q	88.8	Confident	84.1	Confident	67 Å²	67	39.1 Å²	39.1	31%	0.313	21%	0.205	S	C	.	.	S	Bend	trans	-159.9	155	-178.9	-150.7	179.6	-71.9	0	0	112.4	D333 L335 A431 L452	D333-Q455 WeakPolarHBondContact O-CG 3.39Å; D333-Q455 PolarHBondContact O-NE2 3.16Å; L335-Q455 HydrophobicContact CB-CB 4.16Å; A431-Q455 WeakPolarHBondContact CB-O 3.31Å; L452-Q455 CarbonylContact O-C 3.57Å; L452-Q455 WeakPolarHBondContact O-CA 3.33Å; L452-Q455 PolarHBondContact O-N 3.49Å
456	G	88.4	Confident	83.4	Confident	9 Å²	9	36.9 Å²	36.9	9%	0.093	21%	0.207	C	C	.	.			trans	107.7	166.4	172.3	0	0	0	0	0	112.4	Q332 D333 E451 L452	Q332-G456 CarbonylContact O-C 3.48Å; Q332-G456 WeakPolarHBondContact O-CA 3.43Å; D333-G456 VanDerWaalsContact O-CA 3.32Å; D333-G456 WeakPolarHBondContact O-CA 3.5Å; D333-G456 PolarHBondContact O-N 3.12Å; E451-G456 CarbonylContact C-O 3.53Å; E451-G456 WeakPolarHBondContact CA-O 3.3Å; L452-G456 PolarHBondContact N-O 2.95Å
457	I	89.2	Confident	82.7	Confident	48 Å²	48	36.1 Å²	36.1	25%	0.246	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	121.2	-177	-65.6	176.7	0	0	0	108.5	V331 Q332 C449 L450 F459	V331-I457 CarbonylContact C-O 3.18Å; V331-I457 WeakPolarHBondContact CA-O 3.33Å; V331-I457 WeakPolarHBondContact CG2-O 3.4Å; Q332-I457 PolarHBondContact N-O 2.93Å; Q332-I457 PolarHBondContact O-N 3.11Å; C449-I457 WeakPolarHBondContact SG-CG2 3.24Å; L450-I457 CarbonylContact O-C 3.59Å; L450-I457 WeakPolarHBondContact O-CA 3.43Å; I457-F459 HydrophobicContact CB-CE2 4.44Å; I457-F459 HydrophobicContact CG2-CD2 4.4Å; I457-F459 HydrophobicContact CG2-CE1 4.23Å; I457-F459 HydrophobicContact CG2-CE2 3.75Å; I457-F459 HydrophobicContact CG2-CZ 3.65Å
458	V	91.1	Very high	81.4	Confident	0 Å²	0	37.8 Å²	37.8	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	134.8	169.9	68.4	0	0	0	0	110.9	L328 G330 V331 V419 L450 L452	L328-V458 HydrophobicContact CD2-CG2 4.02Å; G330-V458 WeakPolarHBondContact O-CG2 3.33Å; V331-V458 HydrophobicContact CG2-CB 4.45Å; V419-V458 HydrophobicContact CG1-CG2 4.39Å; L450-V458 HydrophobicContact CB-CG1 3.81Å; L450-V458 HydrophobicContact CD1-CG1 4.32Å; L450-V458 PolarHBondContact N-O 2.75Å; L450-V458 PolarHBondContact O-N 3.21Å; L452-V458 HydrophobicContact CD1-CB 4.26Å; L452-V458 HydrophobicContact CD2-CB 3.9Å; L452-V458 HydrophobicContact CD2-CG1 3.5Å; L452-V458 HydrophobicContact CG-CB 4.25Å; L452-V458 HydrophobicContact CG-CG1 4.24Å
459	F	90.5	Very high	79.8	Confident	24 Å²	24	38.6 Å²	38.6	11%	0.105	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	106.7	172.4	-60.6	-88	0	0	0	107.3	M329 G330 Q332 K400 I457	M329-F459 HydrophobicContact CB-CB 3.97Å; M329-F459 WeakPolarHBondContact CB-O 3.23Å; M329-F459 PolarHBondContact N-O 2.77Å; G330-F459 PolarHBondContact N-O 3.16Å; G330-F459 PolarHBondContact O-N 3.38Å; Q332-F459 HydrophobicContact CB-CE2 4.39Å; Q332-F459 HydrophobicContact CG-CE2 4.06Å; K400-F459 HydrophobicContact CB-CD2 4.3Å; K400-F459 HydrophobicContact CB-CE2 4.29Å; K400-F459 HydrophobicContact CD-CE1 4.27Å; K400-F459 HydrophobicContact CD-CZ 4.02Å; K400-F459 HydrophobicContact CG-CD2 4.32Å; K400-F459 HydrophobicContact CG-CE1 4.36Å; K400-F459 HydrophobicContact CG-CE2 3.81Å; K400-F459 HydrophobicContact CG-CZ 3.83Å; I457-F459 HydrophobicContact CB-CE2 4.44Å; I457-F459 HydrophobicContact CG2-CD2 4.4Å; I457-F459 HydrophobicContact CG2-CE1 4.23Å; I457-F459 HydrophobicContact CG2-CE2 3.75Å; I457-F459 HydrophobicContact CG2-CZ 3.65Å
460	I	91	Very high	77.8	Confident	2 Å²	2	37.7 Å²	37.7	1%	0.01	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	152.7	-174	-169.7	169.7	0	0	0	109.9	V326 C327 L328 V419 M448 L450 V462	V326-I460 HydrophobicContact CG1-CD1 3.73Å; V326-I460 HydrophobicContact CG1-CG1 3.78Å; C327-I460 CarbonylContact O-C 3.56Å; C327-I460 WeakPolarHBondContact O-CA 3.41Å; L328-I460 HydrophobicContact CD2-CB 4.2Å; L328-I460 HydrophobicContact CD2-CD1 3.77Å; L328-I460 HydrophobicContact CD2-CG1 3.83Å; V419-I460 HydrophobicContact CG2-CD1 3.85Å; M448-I460 HydrophobicContact CB-CG2 4.02Å; M448-I460 PolarHBondContact N-O 3.3Å; M448-I460 PolarHBondContact O-N 3.18Å; M448-I460 VanDerWaalsContact O-N 3.08Å; L450-I460 HydrophobicContact CD1-CG2 3.52Å; L450-I460 HydrophobicContact CG-CG2 4.02Å; I460-V462 HydrophobicContact CD1-CG2 4.12Å; I460-V462 HydrophobicContact CG1-CG2 4.08Å
461	E	87.8	Confident	75.7	Confident	33 Å²	33	45.6 Å²	45.6	15%	0.154	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	127.1	172.3	-169.6	-176.1	-124.9	0	0	110	V326 C327 R445 H446	V326-E461 CarbonylContact C-O 3.56Å; V326-E461 VanDerWaalsContact CA-O 3.28Å; V326-E461 WeakPolarHBondContact CA-O 3.15Å; C327-E461 HydrophobicContact CB-CB 4.12Å; C327-E461 PolarHBondContact N-O 3.2Å; C327-E461 PolarHBondContact O-N 3.28Å; R445-E461 VanDerWaalsContact CG-CD 3.43Å; R445-E461 HydrophobicContact CG-CG 3.7Å; R445-E461 WeakPolarHBondContact CG-OE1 3.4Å; R445-E461 VanDerWaalsContact CZ-CD 3.47Å; R445-E461 IonicContact CZ-OE1 2.71Å; R445-E461 IonicContact CZ-OE2 2.69Å; R445-E461 IonicContact NE-OE1 3.13Å; R445-E461 PolarHBondContact NE-OE1 2.89Å; R445-E461 IonicContact NE-OE2 3.87Å; R445-E461 PolarHBondContact NE-OE2 3.01Å; R445-E461 VanDerWaalsContact NH2-CD 3.25Å; R445-E461 IonicContact NH2-OE1 2.93Å; R445-E461 PolarHBondContact NH2-OE1 3.44Å; R445-E461 IonicContact NH2-OE2 2.76Å; R445-E461 PolarHBondContact NH2-OE2 3.48Å; H446-E461 CarbonylContact O-C 3.51Å; H446-E461 VanDerWaalsContact O-CA 3.23Å; H446-E461 WeakPolarHBondContact O-CA 3.48Å
462	V	84.4	Confident	73.3	Confident	0 Å²	0	42.3 Å²	42.3	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	127.9	-174	-176.7	0	0	0	0	110.7	L324 V326 L417 F440 H446 I460	L324-V462 HydrophobicContact CD1-CG1 3.91Å; V326-V462 HydrophobicContact CG1-CG2 4.49Å; L417-V462 HydrophobicContact CD2-CG2 4.37Å; F440-V462 HydrophobicContact CB-CG1 4.43Å; F440-V462 HydrophobicContact CD1-CB 3.81Å; F440-V462 HydrophobicContact CD1-CG1 3.65Å; F440-V462 HydrophobicContact CD2-CG1 4.35Å; F440-V462 HydrophobicContact CE1-CB 3.72Å; F440-V462 HydrophobicContact CE1-CG1 3.93Å; F440-V462 HydrophobicContact CE1-CG2 4.06Å; F440-V462 HydrophobicContact CG-CG1 3.88Å; F440-V462 HydrophobicContact CZ-CB 4.39Å; F440-V462 HydrophobicContact CZ-CG1 4.4Å; F440-V462 HydrophobicContact CZ-CG2 4.32Å; H446-V462 WeakPolarHBondContact CB-O 3.31Å; H446-V462 PolarHBondContact N-O 2.97Å; H446-V462 PolarHBondContact ND1-O 3.41Å; H446-V462 PolarHBondContact O-N 3.35Å; I460-V462 HydrophobicContact CD1-CG2 4.12Å; I460-V462 HydrophobicContact CG1-CG2 4.08Å
463	T	82	Confident	70.8	Confident	18 Å²	18	44.8 Å²	44.8	11%	0.11	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	121.5	173.5	-45.5	0	0	0	0	109.2	E325 R445	E325-T463 PolarHBondContact N-O 2.94Å; E325-T463 PolarHBondContact O-N 2.68Å; R445-T463 WeakPolarHBondContact CA-OG1 3.5Å; R445-T463 HydrophobicContact CB-CG2 4.45Å; R445-T463 WeakPolarHBondContact CB-OG1 3.46Å; R445-T463 WeakPolarHBondContact CG-OG1 3.33Å
464	F	77.8	Confident	68.6	Low	0 Å²	0	48.7 Å²	48.7	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	103	176.3	-169.8	-179.8	0	0	0	109.4	L320 L324 L411 F440 L441 N443 P467	L320-F464 HydrophobicContact CB-CE1 4.04Å; L320-F464 HydrophobicContact CB-CZ 4.03Å; L320-F464 HydrophobicContact CD1-CE1 4.17Å; L324-F464 HydrophobicContact CD1-CB 4.12Å; L324-F464 HydrophobicContact CD1-CG 4.33Å; L411-F464 HydrophobicContact CD1-CD2 4.32Å; L411-F464 HydrophobicContact CD1-CE1 4.14Å; L411-F464 HydrophobicContact CD1-CE2 3.71Å; L411-F464 HydrophobicContact CD1-CZ 3.61Å; F440-F464 HydrophobicContact CB-CB 4.22Å; L441-F464 HydrophobicContact CD2-CD1 4.31Å; L441-F464 HydrophobicContact CD2-CE1 3.98Å; N443-F464 WeakPolarHBondContact CA-O 3.37Å; N443-F464 PolarHBondContact OD1-O 2.95Å; F464-P467 HydrophobicContact CD1-CB 3.84Å; F464-P467 HydrophobicContact CD2-CB 4.03Å; F464-P467 HydrophobicContact CE1-CB 3.65Å; F464-P467 HydrophobicContact CE2-CB 3.83Å; F464-P467 HydrophobicContact CG-CB 4.03Å; F464-P467 HydrophobicContact CZ-CB 3.64Å
465	N	70.2	Confident	66.7	Low	43 Å²	43	48.6 Å²	48.6	23%	0.23	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	132.9	-177.4	-59.6	-59.4	0	0	0	111	R323 E325	R323-N465 PolarHBondContact N-O 3.21Å; R323-N465 PolarHBondContact O-N 3.09Å; E325-N465 PolarHBondContact OE2-ND2 3.18Å
466	N	57.6	Low	64.5	Low	130 Å²	130	50.1 Å²	50.1	70%	0.695	26%	0.255	S	S	*	.	E	Extended strand (participates in β ladder)	trans	51	56.3	-177.1	-60.9	-25.4	0	0	0	113.7	N443 V468	N443-N466 PolarHBondContact OD1-N 3.49Å; N466-V468 PolarHBondContact O-N 3.42Å; N466-V468 VanDerWaalsContact O-N 3.14Å
467	P	55.5	Low	62.1	Low	27 Å²	27	54.3 Å²	54.3	18%	0.175	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	109	177	29.3	-33.5	0	0	0	111	L441 N443 F464	L441-P467 HydrophobicContact CD2-CB 3.71Å; L441-P467 HydrophobicContact CD2-CG 4.45Å; L441-P467 WeakPolarHBondContact O-CG 3.31Å; N443-P467 WeakPolarHBondContact ND2-CD 3.32Å; N443-P467 WeakPolarHBondContact OD1-CD 3.4Å; F464-P467 HydrophobicContact CD1-CB 3.84Å; F464-P467 HydrophobicContact CD2-CB 4.03Å; F464-P467 HydrophobicContact CE1-CB 3.65Å; F464-P467 HydrophobicContact CE2-CB 3.83Å; F464-P467 HydrophobicContact CG-CB 4.03Å; F464-P467 HydrophobicContact CZ-CB 3.64Å
468	V	52.2	Low	59.9	Low	87 Å²	87	53.3 Å²	53.3	53%	0.527	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	117.8	169.5	-178.7	0	0	0	0	108.3	T321 N466 E470	T321-V468 PolarHBondContact N-O 3.37Å; T321-V468 PolarHBondContact O-N 3.15Å; N466-V468 PolarHBondContact O-N 3.42Å; N466-V468 VanDerWaalsContact O-N 3.14Å; V468-E470 VanDerWaalsContact C-N 3.27Å; V468-E470 PolarHBondContact O-N 2.86Å
469	I	48.3	Very low	57.4	Low	82 Å²	82	57.4 Å²	57.4	42%	0.421	28%	0.283	S	S	.	.			trans	-75.7	87	168.7	-51.8	178.7	0	0	0	107.5	L320 L441 R471	L320-I469 HydrophobicContact CD2-CB 4.19Å; L320-I469 HydrophobicContact CD2-CG1 3.82Å; L320-I469 HydrophobicContact CD2-CG2 4.17Å; L441-I469 HydrophobicContact CD1-CD1 4.15Å; L441-I469 HydrophobicContact CD2-CG1 4.49Å; I469-R471 VanDerWaalsContact C-N 3.29Å; I469-R471 PolarHBondContact O-N 2.6Å
470	E	41.7	Very low	54.8	Low	65 Å²	65	64.7 Å²	64.7	30%	0.304	31%	0.31	S	S	.	.			trans	-69.9	87.6	175.7	-167.9	-170.7	138.6	0	0	109.4	T321 R413 V468 P472	T321-E470 PolarHBondContact OG1-OE2 3.46Å; R413-E470 WeakPolarHBondContact CD-OE1 3.09Å; R413-E470 VanDerWaalsContact CG-CD 3.41Å; R413-E470 WeakPolarHBondContact CG-OE1 3.38Å; R413-E470 WeakPolarHBondContact CG-OE2 3.17Å; R413-E470 IonicContact CZ-OE1 3.27Å; R413-E470 IonicContact NE-OE1 2.62Å; R413-E470 IonicContact NH1-OE1 2.7Å; R413-E470 PolarHBondContact NH1-OE1 3.27Å; V468-E470 VanDerWaalsContact C-N 3.27Å; V468-E470 PolarHBondContact O-N 2.86Å; E470-P472 WeakPolarHBondContact O-CD 3.43Å
471	R	39.3	Very low	52.3	Low	185 Å²	185	66.3 Å²	66.3	70%	0.698	32%	0.318	S	S	*	.			trans	-64.8	115.3	163.1	-66.8	-173.5	-177.4	-170	2.3	107.6	I469 S473	I469-R471 VanDerWaalsContact C-N 3.29Å; I469-R471 PolarHBondContact O-N 2.6Å; R471-S473 PolarHBondContact O-N 2.84Å
472	P	36.6	Very low	50.1	Low	47 Å²	47	67.5 Å²	67.5	31%	0.305	32%	0.323	S	S	.	.			trans	-66.2	123.5	161.3	28.7	-31.7	0	0	0	108	E470 K474	E470-P472 WeakPolarHBondContact O-CD 3.43Å; P472-K474 VanDerWaalsContact C-N 3.3Å; P472-K474 HydrophobicContact CB-CG 4.49Å; P472-K474 HydrophobicContact CG-CG 4.23Å; P472-K474 PolarHBondContact O-N 3.17Å
473	S	36	Very low	47.7	Very low	56 Å²	56	70.1 Å²	70.1	39%	0.392	34%	0.339	S	S	.	.			trans	-63.7	98.9	153.7	37.6	0	0	0	0	106.5	R471 L475 Q476	R471-S473 PolarHBondContact O-N 2.84Å; S473-L475 PolarHBondContact O-N 3Å; S473-Q476 PolarHBondContact O-N 3.33Å
474	K	45.9	Very low	45.7	Very low	88 Å²	88	73.1 Å²	73.1	38%	0.383	35%	0.351	S	S	.	.	G	3₁₀ helix	trans	-65	-15.9	-167	-68.1	-149.8	-166.3	87.9	0	113.6	P472 Q476 R477 E802	P472-K474 VanDerWaalsContact C-N 3.3Å; P472-K474 HydrophobicContact CB-CG 4.49Å; P472-K474 HydrophobicContact CG-CG 4.23Å; P472-K474 PolarHBondContact O-N 3.17Å; K474-Q476 PolarHBondContact O-N 2.8Å; K474-Q476 VanDerWaalsContact O-N 3.1Å; K474-R477 VanDerWaalsContact O-CB 3.23Å; K474-R477 WeakPolarHBondContact O-CB 3.49Å; K474-R477 PolarHBondContact O-N 2.64Å; K474-E802 HydrophobicContact CB-CG 4.09Å; K474-E802 WeakPolarHBondContact CD-OE2 3.36Å; K474-E802 HydrophobicContact CG-CG 4.4Å; K474-E802 WeakPolarHBondContact CG-OE1 3.5Å; K474-E802 IonicContact NZ-OE1 2.91Å; K474-E802 PolarHBondContact NZ-OE1 2.78Å; K474-E802 IonicContact NZ-OE2 2.68Å; K474-E802 PolarHBondContact NZ-OE2 3.48Å
475	L	46.7	Very low	43.8	Very low	9 Å²	9	78.5 Å²	78.5	5%	0.047	38%	0.376	C	S	.	.	G	3₁₀ helix	trans	-51.2	-25.6	166.8	-59.8	177.6	0	0	0	113.5	S473 R477 Q478 M694 I697 G801	S473-L475 PolarHBondContact O-N 3Å; L475-R477 PolarHBondContact O-N 3.45Å; L475-Q478 PolarHBondContact O-N 3.38Å; L475-M694 HydrophobicContact CB-CE 4.03Å; L475-M694 HydrophobicContact CD1-SD 4.19Å; L475-M694 HydrophobicContact CD2-CE 4.35Å; L475-I697 HydrophobicContact CD1-CB 4.32Å; L475-I697 HydrophobicContact CD1-CD1 4.32Å; L475-I697 HydrophobicContact CD1-CG1 4.11Å; L475-I697 HydrophobicContact CD1-CG2 3.46Å; L475-I697 VanDerWaalsContact CD1-CG2 3.46Å; L475-G801 WeakPolarHBondContact CG-O 3.38Å
476	Q	43.1	Very low	42.1	Very low	100 Å²	100	82.5 Å²	82.5	47%	0.467	39%	0.391	S	S	.	.	G	3₁₀ helix	trans	-64.7	-3.9	168.2	-69.3	-163.5	-6.1	0	0	114.6	S473 K474 R480	S473-Q476 PolarHBondContact O-N 3.33Å; K474-Q476 PolarHBondContact O-N 2.8Å; K474-Q476 VanDerWaalsContact O-N 3.1Å; Q476-R480 WeakPolarHBondContact O-CG 3.46Å; Q476-R480 PolarHBondContact O-N 2.96Å
477	R	38.2	Very low	41.1	Very low	97 Å²	97	78.3 Å²	78.3	37%	0.366	38%	0.379	S	S	.	.	G	3₁₀ helix	trans	-69.8	-40.6	170.4	-84	-167.1	154.6	-155.6	-8.1	112.4	K474 L475 M479 R480 I481 G807 D808	K474-R477 VanDerWaalsContact O-CB 3.23Å; K474-R477 WeakPolarHBondContact O-CB 3.49Å; K474-R477 PolarHBondContact O-N 2.64Å; L475-R477 PolarHBondContact O-N 3.45Å; R477-M479 VanDerWaalsContact C-N 3.26Å; R477-M479 PolarHBondContact O-N 2.91Å; R477-R480 PolarHBondContact O-N 3.13Å; R477-I481 HydrophobicContact CB-CD1 4.4Å; R477-I481 WeakPolarHBondContact O-CG1 3.48Å; R477-I481 PolarHBondContact O-N 3.01Å; R477-G807 PolarHBondContact NH1-O 2.88Å; R477-D808 IonicContact CZ-OD1 2.68Å; R477-D808 IonicContact CZ-OD2 3.8Å; R477-D808 IonicContact NH1-OD1 3.56Å; R477-D808 PolarHBondContact NH1-OD1 3.43Å; R477-D808 IonicContact NH2-OD1 3.7Å; R477-D808 PolarHBondContact NH2-OD1 3.16Å; R477-D808 IonicContact NH2-OD2 3.15Å; R477-D808 PolarHBondContact NH2-OD2 2.99Å
478	Q	42.6	Very low	40.2	Very low	27 Å²	27	80.8 Å²	80.8	13%	0.126	39%	0.385	C	S	.	.	H	α-helix	trans	-53.7	-47.1	175.4	-77.3	159.1	-52.8	0	0	110.4	L475 R480 F482 E770	L475-Q478 PolarHBondContact O-N 3.38Å; Q478-R480 VanDerWaalsContact C-N 3.26Å; Q478-R480 PolarHBondContact O-N 3.39Å; Q478-F482 CarbonylContact O-C 3.58Å; Q478-F482 WeakPolarHBondContact O-CA 3.49Å; Q478-F482 WeakPolarHBondContact O-CB 3.45Å; Q478-F482 PolarHBondContact O-N 3.02Å; Q478-F482 VanDerWaalsContact O-O 3.11Å; Q478-E770 WeakPolarHBondContact CG-OE1 3.46Å; Q478-E770 VanDerWaalsContact CG-OE2 3.27Å; Q478-E770 WeakPolarHBondContact CG-OE2 3.03Å; Q478-E770 PolarHBondContact NE2-OE1 3.33Å; Q478-E770 PolarHBondContact NE2-OE2 3.14Å
479	M	37.6	Very low	39.3	Very low	86 Å²	86	83.4 Å²	83.4	42%	0.424	40%	0.396	S	S	.	.	H	α-helix	trans	-63.3	-18.6	174.7	-79.1	-66.9	-67.2	0	0	115.9	R477 K484	R477-M479 VanDerWaalsContact C-N 3.26Å; R477-M479 PolarHBondContact O-N 2.91Å; M479-K484 HydrophobicContact SD-CD 4.22Å; M479-K484 HydrophobicContact SD-CG 4.3Å
480	R	37.2	Very low	38.5	Very low	177 Å²	177	83.6 Å²	83.6	67%	0.668	39%	0.394	S	S	*	.	H	α-helix	trans	-102.5	-36	-178.6	-73	-173	-175.7	-155.6	2.7	113.5	Q476 R477 Q478	Q476-R480 WeakPolarHBondContact O-CG 3.46Å; Q476-R480 PolarHBondContact O-N 2.96Å; R477-R480 PolarHBondContact O-N 3.13Å; Q478-R480 VanDerWaalsContact C-N 3.26Å; Q478-R480 PolarHBondContact O-N 3.39Å
481	I	38.6	Very low	38.2	Very low	35 Å²	35	84.3 Å²	84.3	18%	0.179	40%	0.399	C	S	.	.	H	α-helix	trans	-69.6	-47	170.4	-58.9	173.3	0	0	0	107.9	R477 P483 K486	R477-I481 HydrophobicContact CB-CD1 4.4Å; R477-I481 WeakPolarHBondContact O-CG1 3.48Å; R477-I481 PolarHBondContact O-N 3.01Å; I481-P483 WeakPolarHBondContact O-CD 3.46Å; I481-K486 PolarHBondContact O-NZ 3.35Å
482	F	40	Very low	38.1	Very low	59 Å²	59	78.4 Å²	78.4	26%	0.259	38%	0.377	S	S	.	.	S	Bend	trans	-117.5	87.9	177.2	-51.8	-65.5	0	0	0	112.5	Q478 K484 P769 E810	Q478-F482 CarbonylContact O-C 3.58Å; Q478-F482 WeakPolarHBondContact O-CA 3.49Å; Q478-F482 WeakPolarHBondContact O-CB 3.45Å; Q478-F482 PolarHBondContact O-N 3.02Å; Q478-F482 VanDerWaalsContact O-O 3.11Å; F482-K484 PolarHBondContact O-N 3.42Å; F482-P769 HydrophobicContact CZ-CG 4.36Å; F482-E810 HydrophobicContact CE1-CG 4.14Å; F482-E810 VanDerWaalsContact CE1-OE1 3.24Å; F482-E810 WeakPolarHBondContact CE1-OE1 3.44Å; F482-E810 HydrophobicContact CZ-CG 3.75Å
483	P	34.8	Very low	38	Very low	54 Å²	54	77.2 Å²	77.2	35%	0.351	37%	0.372	S	S	.	.			trans	-52.8	136.6	153	-19.7	31.4	0	0	0	108.7	I481 E485 K486	I481-P483 WeakPolarHBondContact O-CD 3.46Å; P483-E485 PolarHBondContact O-N 2.94Å; P483-K486 HydrophobicContact CG-CG 4.34Å; P483-K486 PolarHBondContact O-N 3.33Å
484	K	40.4	Very low	37.8	Very low	82 Å²	82	76.3 Å²	76.3	36%	0.357	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-7.8	177.8	-65.8	160.4	179.6	172.1	0	114.3	M479 F482 D895 E897 F898	M479-K484 HydrophobicContact SD-CD 4.22Å; M479-K484 HydrophobicContact SD-CG 4.3Å; F482-K484 PolarHBondContact O-N 3.42Å; K484-D895 IonicContact NZ-OD2 2.85Å; K484-D895 PolarHBondContact NZ-OD2 3.43Å; K484-E897 VanDerWaalsContact CD-OE2 3.23Å; K484-E897 WeakPolarHBondContact CD-OE2 3.47Å; K484-E897 WeakPolarHBondContact CE-OE2 3.16Å; K484-E897 IonicContact NZ-OE2 2.86Å; K484-E897 PolarHBondContact NZ-OE2 3.29Å; K484-F898 HydrophobicContact CD-CE1 4.01Å; K484-F898 HydrophobicContact CD-CZ 3.71Å
485	E	37.7	Very low	37.4	Very low	113 Å²	113	75.3 Å²	75.3	53%	0.528	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.9	-23.9	169.7	-62.1	-144.8	112.5	0	0	115.4	P483 G487 R488	P483-E485 PolarHBondContact O-N 2.94Å; E485-G487 VanDerWaalsContact C-N 3.34Å; E485-R488 VanDerWaalsContact CD-NH1 3.3Å; E485-R488 WeakPolarHBondContact O-CD 3.38Å; E485-R488 VanDerWaalsContact O-CG 3.27Å; E485-R488 WeakPolarHBondContact O-CG 3.28Å; E485-R488 PolarHBondContact O-N 2.95Å; E485-R488 IonicContact OE1-CZ 2.75Å; E485-R488 IonicContact OE1-NH1 3.81Å; E485-R488 PolarHBondContact OE1-NH1 3.48Å; E485-R488 IonicContact OE1-NH2 2.74Å; E485-R488 PolarHBondContact OE1-NH2 3.04Å; E485-R488 IonicContact OE2-NH1 3.07Å
486	K	34.3	Very low	37	Very low	126 Å²	126	76.7 Å²	76.7	55%	0.548	37%	0.368	S	S	.	.	G	3₁₀ helix	trans	-69.5	-30.2	178.4	-85	-163.6	-170.2	169.7	0	112.8	I481 P483 R488 N489	I481-K486 PolarHBondContact O-NZ 3.35Å; P483-K486 HydrophobicContact CG-CG 4.34Å; P483-K486 PolarHBondContact O-N 3.33Å; K486-R488 PolarHBondContact O-N 3.16Å; K486-N489 PolarHBondContact O-N 2.92Å; K486-N489 VanDerWaalsContact O-N 3.13Å
487	G	36.5	Very low	36.7	Very low	42 Å²	42	78.8 Å²	78.8	43%	0.433	38%	0.383	S	S	.	.	G	3₁₀ helix	trans	-61	6.4	174.8	0	0	0	0	0	115.4	E485 N489 H615	E485-G487 VanDerWaalsContact C-N 3.34Å; G487-N489 VanDerWaalsContact C-N 3.33Å; G487-H615 PolarHBondContact O-CD2 2.88Å; G487-H615 PolarHBondContact O-NE2 3.37Å
488	R	36.3	Very low	36.7	Very low	79 Å²	79	78.1 Å²	78.1	30%	0.298	39%	0.386	S	S	.	.	G	3₁₀ helix	trans	-74.7	-19.1	167.7	-70.9	175.1	-178.9	145.4	15.7	114	E485 K486	E485-R488 VanDerWaalsContact CD-NH1 3.3Å; E485-R488 WeakPolarHBondContact O-CD 3.38Å; E485-R488 VanDerWaalsContact O-CG 3.27Å; E485-R488 WeakPolarHBondContact O-CG 3.28Å; E485-R488 PolarHBondContact O-N 2.95Å; E485-R488 IonicContact OE1-CZ 2.75Å; E485-R488 IonicContact OE1-NH1 3.81Å; E485-R488 PolarHBondContact OE1-NH1 3.48Å; E485-R488 IonicContact OE1-NH2 2.74Å; E485-R488 PolarHBondContact OE1-NH2 3.04Å; E485-R488 IonicContact OE2-NH1 3.07Å; K486-R488 PolarHBondContact O-N 3.16Å
489	N	33.4	Very low	36.7	Very low	142 Å²	142	82.1 Å²	82.1	76%	0.759	41%	0.408	S	S	*	.	S	Bend	trans	-103.8	-1.5	-171.5	-68.7	12.5	0	0	0	113.4	K486 G487 L491	K486-N489 PolarHBondContact O-N 2.92Å; K486-N489 VanDerWaalsContact O-N 3.13Å; G487-N489 VanDerWaalsContact C-N 3.33Å; N489-L491 PolarHBondContact O-N 2.85Å
490	F	32.8	Very low	36.8	Very low	86 Å²	86	86.7 Å²	86.7	38%	0.377	43%	0.426	S	S	.	.			trans	-77.5	114.5	177	-124	-89	0	0	0	110.1	H615	F490-H615 PolarHBondContact O-CE1 3.43Å
491	L	33.9	Very low	36.9	Very low	81 Å²	81	80.6 Å²	80.6	42%	0.424	41%	0.413	S	S	.	.			trans	-72.1	126.1	168.9	-62.7	176.6	0	0	0	108.1	N489 Q495 M496	N489-L491 PolarHBondContact O-N 2.85Å; L491-Q495 HydrophobicContact CB-CB 4.01Å; L491-Q495 HydrophobicContact CD2-CB 4.18Å; L491-Q495 VanDerWaalsContact CD2-OE1 3.3Å; L491-M496 HydrophobicContact CB-CE 4.18Å; L491-M496 HydrophobicContact CB-CG 4.28Å; L491-M496 WeakPolarHBondContact O-CE 3.41Å
492	R	38.2	Very low	37.1	Very low	60 Å²	60	81.9 Å²	81.9	23%	0.226	42%	0.423	C	S	.	.			trans	-78.6	166.6	171.6	-92	-174	173.5	-167.3	-11.6	110.7	S494 Q495 M496 E646 G750	R492-S494 VanDerWaalsContact C-N 3.27Å; R492-S494 PolarHBondContact O-N 3.39Å; R492-S494 VanDerWaalsContact O-N 3.1Å; R492-Q495 WeakPolarHBondContact O-CA 3.47Å; R492-Q495 WeakPolarHBondContact O-CB 3.37Å; R492-Q495 PolarHBondContact O-N 3.01Å; R492-M496 PolarHBondContact O-N 2.8Å; R492-E646 VanDerWaalsContact CD-CD 3.48Å; R492-E646 WeakPolarHBondContact CD-OE1 3.38Å; R492-E646 WeakPolarHBondContact CD-OE2 3.22Å; R492-E646 IonicContact CZ-OE2 3.1Å; R492-E646 IonicContact NE-OE2 3.69Å; R492-E646 IonicContact NH1-OE2 3.03Å; R492-E646 PolarHBondContact NH1-OE2 3.24Å; R492-G750 PolarHBondContact NH1-O 2.83Å; R492-G750 PolarHBondContact NH2-O 3.39Å
493	A	34.8	Very low	37.1	Very low	23 Å²	23	84 Å²	84	19%	0.19	43%	0.43	C	S	.	.	G	3₁₀ helix	trans	-55.8	-30.7	-169	0	0	0	0	0	116.1	Q495 M496 T764	A493-Q495 PolarHBondContact O-N 3.46Å; A493-M496 CarbonylContact O-C 3.49Å; A493-M496 WeakPolarHBondContact O-CA 3.37Å; A493-M496 PolarHBondContact O-N 3.05Å; A493-T764 HydrophobicContact CB-CG2 3.26Å
494	S	32	Very low	37.2	Very low	37 Å²	37	83.2 Å²	83.2	26%	0.259	43%	0.431	S	S	.	.	G	3₁₀ helix	trans	-55.6	-39.9	171.7	48.6	0	0	0	0	111.8	R492 M496 N497 R644	R492-S494 VanDerWaalsContact C-N 3.27Å; R492-S494 PolarHBondContact O-N 3.39Å; R492-S494 VanDerWaalsContact O-N 3.1Å; S494-M496 VanDerWaalsContact C-N 3.34Å; S494-N497 PolarHBondContact O-ND2 3.32Å; S494-R644 PolarHBondContact OG-O 2.93Å
495	Q	36.6	Very low	37.4	Very low	66 Å²	66	88.3 Å²	88.3	31%	0.308	45%	0.448	S	S	.	.	G	3₁₀ helix	trans	-84.2	-6	177.1	-54.2	-176.8	-49.4	0	0	113.1	L491 R492 A493	L491-Q495 HydrophobicContact CB-CB 4.01Å; L491-Q495 HydrophobicContact CD2-CB 4.18Å; L491-Q495 VanDerWaalsContact CD2-OE1 3.3Å; R492-Q495 WeakPolarHBondContact O-CA 3.47Å; R492-Q495 WeakPolarHBondContact O-CB 3.37Å; R492-Q495 PolarHBondContact O-N 3.01Å; A493-Q495 PolarHBondContact O-N 3.46Å
496	M	39.2	Very low	37.4	Very low	38 Å²	38	86.9 Å²	86.9	19%	0.187	44%	0.444	C	S	.	.	G	3₁₀ helix	trans	-105	36.1	173.2	-63.9	-152.9	-179.2	0	0	113	L491 R492 A493 S494 L498 W503 F765	L491-M496 HydrophobicContact CB-CE 4.18Å; L491-M496 HydrophobicContact CB-CG 4.28Å; L491-M496 WeakPolarHBondContact O-CE 3.41Å; R492-M496 PolarHBondContact O-N 2.8Å; A493-M496 CarbonylContact O-C 3.49Å; A493-M496 WeakPolarHBondContact O-CA 3.37Å; A493-M496 PolarHBondContact O-N 3.05Å; S494-M496 VanDerWaalsContact C-N 3.34Å; M496-L498 PolarHBondContact O-N 2.84Å; M496-W503 HydrophobicContact CE-CZ2 3.9Å; M496-F765 HydrophobicContact SD-CD1 4.15Å
497	N	35.8	Very low	37.7	Very low	145 Å²	145	85.7 Å²	85.7	78%	0.775	44%	0.441	S	S	*	.			trans	-70.4	54.7	162.6	-85.3	-61.2	0	0	0	111.6	S494	S494-N497 PolarHBondContact O-ND2 3.32Å
498	L	39	Very low	37.9	Very low	83 Å²	83	90.4 Å²	90.4	44%	0.435	45%	0.454	S	S	.	.			trans	-129.9	126.9	-176.4	-69.2	176	0	0	0	110.4	M496 T502	M496-L498 PolarHBondContact O-N 2.84Å; L498-T502 HydrophobicContact CD2-CG2 4.25Å
499	N	41.6	Very low	37.9	Very low	110 Å²	110	90.3 Å²	90.3	59%	0.588	47%	0.465	S	S	*	.			trans	-54.8	138.4	170.1	-179.8	-21.5	0	0	0	110.6	A501 T502 W503	N499-A501 PolarHBondContact O-N 2.88Å; N499-A501 VanDerWaalsContact O-N 3.14Å; N499-A501 WeakPolarHBondContact OD1-CB 3.47Å; N499-A501 PolarHBondContact OD1-N 3.25Å; N499-T502 WeakPolarHBondContact O-CA 3.27Å; N499-T502 VanDerWaalsContact O-CB 3.26Å; N499-T502 WeakPolarHBondContact O-CB 3.39Å; N499-T502 PolarHBondContact O-N 2.82Å; N499-W503 PolarHBondContact O-N 2.92Å; N499-W503 VanDerWaalsContact O-N 3.13Å
500	F	39.6	Very low	37.8	Very low	183 Å²	183	91.5 Å²	91.5	80%	0.803	46%	0.464	S	S	*	.	H	α-helix	trans	-43.4	-43.1	171	-179.6	-100.4	0	0	0	113.1	T502 W503 G504	F500-T502 PolarHBondContact O-N 2.86Å; F500-T502 VanDerWaalsContact O-N 3.16Å; F500-W503 PolarHBondContact O-N 3.5Å; F500-W503 VanDerWaalsContact O-N 3.15Å; F500-G504 PolarHBondContact O-N 2.72Å; F500-G504 VanDerWaalsContact O-N 3.08Å
501	A	39.5	Very low	37.8	Very low	48 Å²	48	93.3 Å²	93.3	40%	0.397	48%	0.477	S	S	.	.	H	α-helix	trans	-70.4	-5.6	177.6	0	0	0	0	0	115.1	N499 R505	N499-A501 PolarHBondContact O-N 2.88Å; N499-A501 VanDerWaalsContact O-N 3.14Å; N499-A501 WeakPolarHBondContact OD1-CB 3.47Å; N499-A501 PolarHBondContact OD1-N 3.25Å; A501-R505 WeakPolarHBondContact O-CG 3.48Å; A501-R505 PolarHBondContact O-NE 2.97Å
502	T	42.6	Very low	37.6	Very low	63 Å²	63	94.3 Å²	94.3	39%	0.387	49%	0.489	S	S	.	.	H	α-helix	trans	-98.8	-40.1	168.9	-52.6	0	0	0	0	110.5	L498 N499 F500 G504 R505 L506	L498-T502 HydrophobicContact CD2-CG2 4.25Å; N499-T502 WeakPolarHBondContact O-CA 3.27Å; N499-T502 VanDerWaalsContact O-CB 3.26Å; N499-T502 WeakPolarHBondContact O-CB 3.39Å; N499-T502 PolarHBondContact O-N 2.82Å; F500-T502 PolarHBondContact O-N 2.86Å; F500-T502 VanDerWaalsContact O-N 3.16Å; T502-G504 PolarHBondContact O-N 2.9Å; T502-R505 WeakPolarHBondContact O-CB 3.14Å; T502-R505 PolarHBondContact O-N 2.88Å; T502-L506 PolarHBondContact O-N 2.96Å
503	W	39.2	Very low	37.2	Very low	103 Å²	103	97 Å²	97	39%	0.39	51%	0.514	S	S	.	.	H	α-helix	trans	-58.9	-46.1	177.1	-136.6	94.9	0	0	0	111.6	M496 N499 F500 R505 L506 M507	M496-W503 HydrophobicContact CE-CZ2 3.9Å; N499-W503 PolarHBondContact O-N 2.92Å; N499-W503 VanDerWaalsContact O-N 3.13Å; F500-W503 PolarHBondContact O-N 3.5Å; F500-W503 VanDerWaalsContact O-N 3.15Å; W503-R505 PolarHBondContact O-N 2.89Å; W503-R505 VanDerWaalsContact O-N 3.16Å; W503-L506 WeakPolarHBondContact O-CB 3.17Å; W503-L506 PolarHBondContact O-N 3Å; W503-M507 HydrophobicContact CE3-CG 3.95Å; W503-M507 HydrophobicContact CE3-SD 4.12Å; W503-M507 HydrophobicContact CZ3-CG 3.92Å; W503-M507 HydrophobicContact CZ3-SD 3.7Å; W503-M507 PolarHBondContact O-N 2.67Å; W503-M507 VanDerWaalsContact O-N 3.14Å
504	G	37.5	Very low	36.6	Very low	38 Å²	38	102.1 Å²	102.1	39%	0.392	55%	0.546	S	S	.	.	H	α-helix	trans	-62.9	-19.1	174.4	0	0	0	0	0	115.1	F500 T502	F500-G504 PolarHBondContact O-N 2.72Å; F500-G504 VanDerWaalsContact O-N 3.08Å; T502-G504 PolarHBondContact O-N 2.9Å
505	R	44.4	Very low	36.4	Very low	189 Å²	189	107.6 Å²	107.6	71%	0.713	57%	0.573	S	S	*	*	H	α-helix	trans	-85.3	-31.5	171	-58.3	179.7	-157.6	-135.3	0.1	112	A501 T502 W503 M508 S509	A501-R505 WeakPolarHBondContact O-CG 3.48Å; A501-R505 PolarHBondContact O-NE 2.97Å; T502-R505 WeakPolarHBondContact O-CB 3.14Å; T502-R505 PolarHBondContact O-N 2.88Å; W503-R505 PolarHBondContact O-N 2.89Å; W503-R505 VanDerWaalsContact O-N 3.16Å; R505-M508 PolarHBondContact O-N 2.91Å; R505-S509 PolarHBondContact O-N 2.82Å
506	L	38.7	Very low	35.9	Very low	83 Å²	83	110.4 Å²	110.4	44%	0.435	60%	0.6	S	S	.	*	H	α-helix	trans	-68	-39.9	178.7	-152.6	76.8	0	0	0	111	T502 W503 M508 S509 F510	T502-L506 PolarHBondContact O-N 2.96Å; W503-L506 WeakPolarHBondContact O-CB 3.17Å; W503-L506 PolarHBondContact O-N 3Å; L506-M508 VanDerWaalsContact C-N 3.3Å; L506-M508 PolarHBondContact O-N 3.44Å; L506-S509 WeakPolarHBondContact O-CB 3.45Å; L506-S509 PolarHBondContact O-N 2.97Å; L506-S509 PolarHBondContact O-OG 2.94Å; L506-F510 HydrophobicContact CG-CE2 4.39Å; L506-F510 VanDerWaalsContact O-CD2 3.29Å; L506-F510 WeakPolarHBondContact O-CD2 3.4Å
507	M	41.2	Very low	35.4	Very low	100 Å²	100	116.4 Å²	116.4	49%	0.493	63%	0.632	S	S	.	*	H	α-helix	trans	-56.5	-43.5	173.5	-66.3	-152.7	-66.3	0	0	112.3	W503 S509 F510	W503-M507 HydrophobicContact CE3-CG 3.95Å; W503-M507 HydrophobicContact CE3-SD 4.12Å; W503-M507 HydrophobicContact CZ3-CG 3.92Å; W503-M507 HydrophobicContact CZ3-SD 3.7Å; W503-M507 PolarHBondContact O-N 2.67Å; W503-M507 VanDerWaalsContact O-N 3.14Å; M507-S509 PolarHBondContact O-N 3.48Å; M507-S509 VanDerWaalsContact O-N 3.1Å; M507-F510 PolarHBondContact O-N 3.14Å
508	M	40.4	Very low	34.8	Very low	141 Å²	141	118.4 Å²	118.4	70%	0.695	64%	0.636	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.5	-11.5	176.9	-65.4	-68.5	161	0	0	114	R505 L506	R505-M508 PolarHBondContact O-N 2.91Å; L506-M508 VanDerWaalsContact C-N 3.3Å; L506-M508 PolarHBondContact O-N 3.44Å
509	S	35.4	Very low	34.2	Very low	77 Å²	77	118.7 Å²	118.7	54%	0.538	65%	0.651	S	S	.	*	T	Hydrogen-bonded Turn	trans	-91.8	-4.9	178.3	75.3	0	0	0	0	114.9	R505 L506 M507	R505-S509 PolarHBondContact O-N 2.82Å; L506-S509 WeakPolarHBondContact O-CB 3.45Å; L506-S509 PolarHBondContact O-N 2.97Å; L506-S509 PolarHBondContact O-OG 2.94Å; M507-S509 PolarHBondContact O-N 3.48Å; M507-S509 VanDerWaalsContact O-N 3.1Å
510	F	32.3	Very low	33.3	Very low	168 Å²	168	122.1 Å²	122.1	74%	0.737	67%	0.665	S	S	*	*	S	Bend	trans	-88.2	-0.8	175.9	-72.4	-77.4	0	0	0	114.2	L506 M507	L506-F510 HydrophobicContact CG-CE2 4.39Å; L506-F510 VanDerWaalsContact O-CD2 3.29Å; L506-F510 WeakPolarHBondContact O-CD2 3.4Å; M507-F510 PolarHBondContact O-N 3.14Å
511	L	33	Very low	32.7	Very low	123 Å²	123	118.7 Å²	118.7	64%	0.644	67%	0.665	S	S	*	*	S	Bend	trans	-74.5	149	167.7	-66.5	174.4	0	0	0	110.8
512	P	27.7	Very low	32.4	Very low	103 Å²	103	122.2 Å²	122.2	67%	0.669	68%	0.683	S	S	*	*			trans	-62.3	144.3	177.6	26.5	-34.7	0	0	0	111.5	C514	P512-C514 PolarHBondContact O-N 3.45Å; P512-C514 VanDerWaalsContact O-N 3.1Å
513	P	29.8	Very low	31.9	Very low	116 Å²	116	124.7 Å²	124.7	75%	0.753	70%	0.7	S	S	*	*			trans	-69.8	109.8	-168.9	26.5	-35	0	0	0	112.7	N515	P513-N515 PolarHBondContact O-N 2.99Å
514	C	23.8	Very low	31.3	Very low	130 Å²	130	127.7 Å²	127.7	88%	0.878	72%	0.723	S	S	*	*			trans	-72	74.8	170.3	-70	0	0	0	0	111.8	P512 S516	P512-C514 PolarHBondContact O-N 3.45Å; P512-C514 VanDerWaalsContact O-N 3.1Å; C514-S516 PolarHBondContact O-N 3.24Å; C514-S516 VanDerWaalsContact O-N 3.07Å
515	N	27.3	Very low	30.9	Very low	153 Å²	153	131.8 Å²	131.8	82%	0.818	74%	0.743	S	S	*	*			trans	-70.8	96.8	167.9	-90.6	-2.3	0	0	0	110.9	P513	P513-N515 PolarHBondContact O-N 2.99Å
516	S	25	Very low	30.1	Very low	125 Å²	125	127.3 Å²	127.3	87%	0.874	75%	0.747	S	S	*	*			trans	-160.4	125.9	140.4	-112.7	0	0	0	0	111.6	C514	C514-S516 PolarHBondContact O-N 3.24Å; C514-S516 VanDerWaalsContact O-N 3.07Å
517	L	29	Very low	29.9	Very low	163 Å²	163	129.5 Å²	129.5	85%	0.853	77%	0.766	S	S	*	*			trans	-111.8	119.7	171	-116.9	169.6	0	0	0	106.5
518	E	24.5	Very low	29.2	Very low	187 Å²	187	128.4 Å²	128.4	87%	0.874	78%	0.78	S	S	*	*				170	163.4	120.3	-92.6	-171.8	161.8	0	0	114.3
519	A	25.5	Very low	28.6	Very low	89 Å²	89	126.7 Å²	126.7	74%	0.736	79%	0.788	S	S	*	*			trans	-34.1	144	-175.5	0	0	0	0	0	119.7
520	M	23.3	Very low	28.1	Very low	182 Å²	182	127.6 Å²	127.6	90%	0.897	80%	0.8	S	S	*	*				-147.8	144.5	117.1	-91.9	-52.7	177.1	0	0	111.6
521	S	27.6	Very low	27.9	Very low	112 Å²	112	123.7 Å²	123.7	78%	0.783	80%	0.799	S	S	*	*			trans	-150.9	142.1	167	-63.5	0	0	0	0	107.1
522	P	31.9	Very low	27.7	Very low	121 Å²	121	123.5 Å²	123.5	79%	0.786	81%	0.808	S	S	*	*				-156.3	-169.4	103.1	40.3	-21.6	0	0	0	113.4
523	P	32.1	Very low	27.7	Very low	116 Å²	116	124.4 Å²	124.4	75%	0.753	82%	0.816	S	S	*	*			cis	-122.9	172.8	-41.6	30.3	-14	0	0	0	112.4
524	L	27	Very low	27.6	Very low	165 Å²	165	122.8 Å²	122.8	86%	0.864	82%	0.821	S	S	*	*			trans	-121.2	153.2	155.8	-79.9	172.9	0	0	0	110.3
525	P	28.3	Very low	27.7	Very low	124 Å²	124	121.9 Å²	121.9	81%	0.805	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-68.9	159.5	178.6	-18.3	32.9	0	0	0	113.8
526	A	29.4	Very low	28.6	Very low	96 Å²	96	120 Å²	120	79%	0.793	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-81.2	154.1	-173.2	0	0	0	0	0	114.6
527	P	33.6	Very low	29.4	Very low	129 Å²	129	119 Å²	119	84%	0.838	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-87.2	162	175.3	36.3	-36.1	0	0	0	113.4
528	G	26.3	Very low	29.3	Very low	76 Å²	76	121.4 Å²	121.4	78%	0.784	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-101.7	145.6	171.3	0	0	0	0	0	114
529	A	28	Very low	29.3	Very low	105 Å²	105	119.8 Å²	119.8	87%	0.868	79%	0.793	S	S	*	*			trans	-29.3	160.8	162.5	0	0	0	0	0	116.9
530	A	25.9	Very low	29.2	Very low	97 Å²	97	126.9 Å²	126.9	80%	0.802	80%	0.801	S	S	*	*			cis	-160.6	170	27	0	0	0	0	0	110.5
531	A	27.4	Very low	30.3	Very low	85 Å²	85	123.6 Å²	123.6	70%	0.702	79%	0.793	S	S	*	*			cis	-174.2	178.1	-25.4	0	0	0	0	0	108.7
532	S	28.1	Very low	30.7	Very low	119 Å²	119	124.6 Å²	124.6	83%	0.832	80%	0.797	S	S	*	*			trans	64.6	147.4	169.1	61.5	0	0	0	0	118.3
533	S	28.4	Very low	30.4	Very low	122 Å²	122	123.4 Å²	123.4	85%	0.853	79%	0.791	S	S	*	*			cis	-168.1	151.5	-13.3	46.4	0	0	0	0	110.6
534	G	27	Very low	30.1	Very low	82 Å²	82	128.6 Å²	128.6	85%	0.845	80%	0.796	S	S	*	*			trans	129.3	133.5	162.6	0	0	0	0	0	115.6
535	S	27	Very low	30	Very low	112 Å²	112	127.6 Å²	127.6	78%	0.783	79%	0.79	S	S	*	*			trans	-163.9	177.6	178.6	67.2	0	0	0	0	108.9
536	P	46.2	Very low	29.8	Very low	113 Å²	113	125.6 Å²	125.6	73%	0.734	78%	0.784	S	S	*	*			cis	-117.4	-140.9	-42.2	32.5	-11.3	0	0	0	107.2
537	P	40.8	Very low	29.6	Very low	103 Å²	103	127.8 Å²	127.8	67%	0.669	79%	0.788	S	S	*	*			cis	-140.4	172.1	-13.9	42.5	-24.5	0	0	0	117.9
538	R	26.5	Very low	29.5	Very low	214 Å²	214	127.1 Å²	127.1	81%	0.808	79%	0.786	S	S	*	*			trans	76.3	146.6	134.7	-90.8	165.7	171.6	-120.8	8.8	124.9
539	E	26	Very low	29.5	Very low	154 Å²	154	133.1 Å²	133.1	72%	0.72	79%	0.794	S	S	*	*			trans	91.7	153.4	142.7	-81.4	157.6	-134.2	0	0	122.6
540	R	23.1	Very low	29.4	Very low	237 Å²	237	136.6 Å²	136.6	89%	0.894	79%	0.792	S	S	*	*			trans	-125.8	-168.5	-175.5	-65.3	177.1	162.5	-176.1	-4.4	108.5
541	P	45.9	Very low	29.4	Very low	114 Å²	114	136.6 Å²	136.6	74%	0.74	79%	0.786	S	S	*	*				-85.5	-171.4	-106.3	43.2	-27.6	0	0	0	112.3
542	P	36.4	Very low	29.4	Very low	132 Å²	132	140.1 Å²	140.1	86%	0.857	79%	0.791	S	S	*	*				-151.2	-154.2	88.7	41.1	-21.1	0	0	0	113.7
543	S	26.2	Very low	29.3	Very low	96 Å²	96	145.3 Å²	145.3	67%	0.671	79%	0.793	S	S	*	*			trans	-129.5	169.2	-176.9	63.5	0	0	0	0	112.3
544	R	24.8	Very low	29.1	Very low	226 Å²	226	151.5 Å²	151.5	85%	0.853	80%	0.798	S	S	*	*			trans	72.2	155.6	168.9	-67.2	-177.9	173.7	-169.4	-1.5	115.2
545	L	24.3	Very low	28.9	Very low	143 Å²	143	153 Å²	153	75%	0.749	80%	0.795	S	S	*	*			cis	-157.9	158.6	-1.5	-122.4	165.6	0	0	0	110.5
546	A	25.7	Very low	29.7	Very low	82 Å²	82	153.4 Å²	153.4	68%	0.678	80%	0.795	S	S	*	*			trans	46.8	140.5	149.4	0	0	0	0	0	122.9
547	V	24.3	Very low	29	Very low	143 Å²	143	159 Å²	159	87%	0.867	80%	0.801	S	S	*	*				-168.7	154.3	102.2	147.8	0	0	0	0	109
548	S	30.7	Very low	28.5	Very low	114 Å²	114	160.3 Å²	160.3	80%	0.797	81%	0.81	S	S	*	*			trans	-126.1	137.6	177.1	55.6	0	0	0	0	110.6
549	E	26.7	Very low	28.5	Very low	203 Å²	203	155.4 Å²	155.4	95%	0.949	81%	0.808	S	S	*	*			trans	-148.3	168.7	165.3	-143.8	165.6	-156.9	0	0	111
550	E	25.4	Very low	28.5	Very low	177 Å²	177	158 Å²	158	83%	0.827	81%	0.811	S	S	*	*			trans	-120.3	159.8	-149.4	-158.4	-168.8	143.7	0	0	114.6
551	S	25.7	Very low	28.6	Very low	97 Å²	97	155.5 Å²	155.5	68%	0.678	81%	0.807	S	S	*	*				121.7	166.7	130	-151.2	0	0	0	0	119.3
552	I	28.7	Very low	27.7	Very low	159 Å²	159	156.5 Å²	156.5	82%	0.815	80%	0.802	S	S	*	*			trans	82.5	126.5	167.6	-50.4	-173.5	0	0	0	118.4
553	R	25.9	Very low	27.1	Very low	229 Å²	229	157 Å²	157	86%	0.864	80%	0.803	S	S	*	*			trans	-90.3	157.6	176.5	-54	168.3	172.7	179.7	-3.9	112.1
554	R	24.3	Very low	27.1	Very low	252 Å²	252	160 Å²	160	95%	0.951	80%	0.804	S	S	*	*				-167.4	164.5	127.9	-104.8	159.1	-166.3	-150.5	3.2	113.4
555	S	23.5	Very low	27.2	Very low	112 Å²	112	155.4 Å²	155.4	78%	0.783	80%	0.796	S	S	*	*			trans	-121.9	-167.9	-169.6	-32	0	0	0	0	109.9
556	P	42.8	Very low	27.4	Very low	121 Å²	121	153 Å²	153	79%	0.786	80%	0.797	S	S	*	*			cis	-137.1	-166.9	-10.8	39	-18.5	0	0	0	114.6
557	R	30.7	Very low	27.5	Very low	231 Å²	231	154.4 Å²	154.4	87%	0.872	80%	0.801	S	S	*	*			trans	-70.9	169.5	163.8	-56.8	172.7	175.5	168.1	-4.4	112.9
558	P	31.6	Very low	27.8	Very low	130 Å²	130	152.2 Å²	152.2	84%	0.844	80%	0.799	S	S	*	*			trans	-119.5	172.7	137.7	38	-30.9	0	0	0	113
559	S	25.5	Very low	27.6	Very low	111 Å²	111	151.8 Å²	151.8	78%	0.776	80%	0.796	S	S	*	*			trans	-161	159.6	176.9	60.8	0	0	0	0	114.7
560	R	27.1	Very low	27.6	Very low	209 Å²	209	150.9 Å²	150.9	79%	0.789	79%	0.791	S	S	*	*			trans	74	124	148.7	-162.7	-176.5	-170.5	175	4.4	120.8
561	K	25	Very low	27.9	Very low	184 Å²	184	147 Å²	147	80%	0.8	78%	0.784	S	S	*	*			trans	172.5	130.3	134.7	-93.9	170.8	178	-172.5	0	108.4
562	E	25.6	Very low	28.6	Very low	136 Å²	136	148 Å²	148	64%	0.636	79%	0.788	S	S	*	*				88.2	101.4	54.4	-77.4	-177.6	164.8	0	0	114.9
563	T	25.3	Very low	28.7	Very low	143 Å²	143	146.8 Å²	146.8	88%	0.877	78%	0.783	S	S	*	*			trans	165.7	160.8	147.4	40.7	0	0	0	0	110.1
564	K	25.6	Very low	28.7	Very low	159 Å²	159	146.6 Å²	146.6	69%	0.691	78%	0.783	S	S	*	*			cis	-172.9	154.5	-42.4	-151	-178.5	158.9	-94.5	0	108.6
565	D	26.8	Very low	29.3	Very low	128 Å²	128	144 Å²	144	68%	0.684	78%	0.778	S	S	*	*			trans	64.5	159.8	166.5	-51.7	-38.8	0	0	0	115.3
566	A	28.4	Very low	29.6	Very low	93 Å²	93	143.1 Å²	143.1	77%	0.769	77%	0.772	S	S	*	*			cis	-166.6	165.6	-14.6	0	0	0	0	0	107.1
567	S	28.3	Very low	29	Very low	111 Å²	111	142.2 Å²	142.2	78%	0.776	77%	0.769	S	S	*	*			cis	-172.8	156.5	-12	49.9	0	0	0	0	110.6
568	A	30	Very low	28.9	Very low	98 Å²	98	139.6 Å²	139.6	81%	0.81	77%	0.771	S	S	*	*			trans	72	146.3	167.9	0	0	0	0	0	117.2
569	S	27.1	Very low	28.9	Very low	105 Å²	105	143 Å²	143	73%	0.734	77%	0.773	S	S	*	*			cis	-141.6	-175.2	2.3	-45.5	0	0	0	0	109.2
570	Q	27.2	Very low	29.7	Very low	183 Å²	183	143.8 Å²	143.8	86%	0.855	78%	0.775	S	S	*	*			cis	-157.7	170.6	-2.5	-150	171.7	84	0	0	109.2
571	S	30.6	Very low	29.7	Very low	95 Å²	95	146 Å²	146	66%	0.664	78%	0.783	S	S	*	*			trans	-158.4	160.9	170.1	56.5	0	0	0	0	111.9
572	P	41.8	Very low	29.9	Very low	119 Å²	119	148.4 Å²	148.4	77%	0.773	79%	0.788	S	S	*	*				-133.8	141.2	105	20.9	-1.7	0	0	0	112.4
573	D	30.1	Very low	30.1	Very low	134 Å²	134	148 Å²	148	72%	0.717	80%	0.799	S	S	*	*				66.9	135.8	74.8	-91	-55.2	0	0	0	114.4
574	W	26.5	Very low	30.4	Very low	225 Å²	225	146 Å²	146	85%	0.852	80%	0.798	S	S	*	*				-147.4	163.2	51.6	55.4	-77.3	0	0	0	115.6
575	K	36	Very low	30.9	Very low	196 Å²	196	144.2 Å²	144.2	85%	0.852	81%	0.805	S	S	*	*			trans	-132.3	156.7	166.8	-76.5	-179.3	178	173.9	0	111.1
576	S	29.9	Very low	31.1	Very low	95 Å²	95	142.7 Å²	142.7	66%	0.664	81%	0.811	S	S	*	*			trans	-150.4	106.9	162.2	-164.5	0	0	0	0	108.6
577	S	29.1	Very low	31.4	Very low	102 Å²	102	149.6 Å²	149.6	71%	0.713	82%	0.817	S	S	*	*				76	134.1	94.3	-59.7	0	0	0	0	112.8
578	L	29.6	Very low	31.8	Very low	175 Å²	175	150.3 Å²	150.3	92%	0.916	82%	0.819	S	S	*	*				-144.9	178.8	59.5	-82	158.2	0	0	0	114.5
579	K	30.6	Very low	32.1	Very low	203 Å²	203	150.1 Å²	150.1	88%	0.883	82%	0.817	S	S	*	*			trans	-111.9	165.5	-173.4	-95.7	-179.3	178	176	0	113.5
580	P	42.4	Very low	32.8	Very low	127 Å²	127	150.6 Å²	150.6	83%	0.825	82%	0.821	S	S	*	*			trans	-92.6	173.4	-161.7	37.2	-38.7	0	0	0	116
581	R	27	Very low	33.3	Very low	254 Å²	254	146.5 Å²	146.5	96%	0.958	82%	0.818	S	S	*	*			trans	-132.2	160.8	170.1	-127.6	176.7	175.2	-159.7	-3.4	111.1
582	R	31	Very low	33.6	Very low	236 Å²	236	153 Å²	153	89%	0.891	83%	0.828	S	S	*	*			trans	-109.1	167.4	-169.6	-68.6	172.2	100.7	-177.6	6.2	113.5
583	S	28.2	Very low	33.6	Very low	126 Å²	126	152.6 Å²	152.6	88%	0.881	83%	0.825	S	S	*	*			trans	76.7	151.3	171.6	77.8	0	0	0	0	115.9
584	A	31.7	Very low	33.9	Very low	102 Å²	102	150.2 Å²	150.2	84%	0.843	82%	0.824	S	S	*	*			cis	-134.1	-173.8	8.8	0	0	0	0	0	113.7
585	S	36.3	Very low	34.5	Very low	122 Å²	122	145.5 Å²	145.5	85%	0.853	82%	0.823	S	S	*	*			trans	-81.3	144.1	-168.7	126	0	0	0	0	114.5
586	A	32.1	Very low	34.8	Very low	96 Å²	96	144.9 Å²	144.9	79%	0.793	82%	0.823	S	S	*	*			trans	-143.1	157.6	157.2	0	0	0	0	0	109.3
587	R	34.6	Very low	36.1	Very low	237 Å²	237	143.8 Å²	143.8	89%	0.894	82%	0.815	S	S	*	*			trans	-64	153.2	-172.4	-77.8	173.7	162.9	176.7	-7.2	113.3	A589	R587-A589 PolarHBondContact O-N 3.25Å; R587-A589 VanDerWaalsContact O-N 3.11Å
588	P	37.1	Very low	37.9	Very low	127 Å²	127	145.5 Å²	145.5	83%	0.825	81%	0.812	S	S	*	*			trans	-64.6	112	167.1	28.6	-33.4	0	0	0	109.6
589	A	34.7	Very low	40.4	Very low	94 Å²	94	140.1 Å²	140.1	78%	0.777	79%	0.792	S	S	*	*			trans	-63.4	140.8	160.1	0	0	0	0	0	108.3	R587 A591	R587-A589 PolarHBondContact O-N 3.25Å; R587-A589 VanDerWaalsContact O-N 3.11Å; A589-A591 PolarHBondContact O-N 3.27Å; A589-A591 VanDerWaalsContact O-N 3.16Å
590	S	41.6	Very low	43.3	Very low	115 Å²	115	130.7 Å²	130.7	80%	0.804	75%	0.752	S	S	*	*			trans	-58.5	122.3	176.2	39.5	0	0	0	0	109.6	R592	S590-R592 PolarHBondContact O-N 3.46Å
591	A	39.8	Very low	45.6	Very low	96 Å²	96	130.6 Å²	130.6	79%	0.793	74%	0.738	S	S	*	*			trans	-60.2	107.2	166.7	0	0	0	0	0	107.1	A589	A589-A591 PolarHBondContact O-N 3.27Å; A589-A591 VanDerWaalsContact O-N 3.16Å
592	R	36.2	Very low	48.7	Very low	231 Å²	231	119.9 Å²	119.9	87%	0.872	70%	0.699	S	S	*	*	P	Polyproline II helix	trans	-52	132	162.4	-85.9	179.9	158.9	-178.1	-7.6	106.5	S590 A594	S590-R592 PolarHBondContact O-N 3.46Å; R592-A594 PolarHBondContact O-N 2.71Å
593	P	40.4	Very low	51.7	Low	112 Å²	112	115 Å²	115	73%	0.727	69%	0.687	S	S	*	*	P	Polyproline II helix	trans	-49.4	140.5	164.6	-24.1	33.9	0	0	0	108.6
594	A	37.8	Very low	54.8	Low	83 Å²	83	110.5 Å²	110.5	69%	0.686	65%	0.653	S	S	*	*	P	Polyproline II helix	trans	-51.8	138.9	162.2	0	0	0	0	0	107.3	R592 Q596	R592-A594 PolarHBondContact O-N 2.71Å; A594-Q596 PolarHBondContact O-N 3.06Å
595	P	39	Very low	57.8	Low	127 Å²	127	106 Å²	106	83%	0.825	61%	0.614	S	S	*	*	P	Polyproline II helix	trans	-55.3	116.4	-178.6	23.4	-33	0	0	0	108	S597	P595-S597 PolarHBondContact O-N 3.33Å
596	Q	41.2	Very low	60.6	Low	183 Å²	183	105.3 Å²	105.3	86%	0.855	60%	0.597	S	S	*	*			trans	-62	109.5	174.4	-71.8	179.9	-49.8	0	0	106	A594 E598	A594-Q596 PolarHBondContact O-N 3.06Å; Q596-E598 PolarHBondContact O-N 2.97Å; Q596-E598 VanDerWaalsContact O-N 3.12Å
597	S	57.1	Low	63.6	Low	72 Å²	72	102.2 Å²	102.2	50%	0.503	57%	0.57	S	S	.	*	P	Polyproline II helix	trans	-56.8	120.6	172.1	-174.4	0	0	0	0	106.7	P595 A599 S928	P595-S597 PolarHBondContact O-N 3.33Å; S597-A599 PolarHBondContact O-N 2.89Å; S597-A599 VanDerWaalsContact O-N 3.13Å; S597-S928 WeakPolarHBondContact OG-CB 3.34Å
598	E	67.8	Low	66.4	Low	137 Å²	137	93.1 Å²	93.1	64%	0.64	54%	0.541	S	S	*	.	P	Polyproline II helix	trans	-59.1	121.1	177.8	-66	-174.7	133	0	0	107.8	Q596 L600 K626	Q596-E598 PolarHBondContact O-N 2.97Å; Q596-E598 VanDerWaalsContact O-N 3.12Å; E598-L600 PolarHBondContact O-N 2.96Å; E598-L600 VanDerWaalsContact O-N 3.08Å; E598-K626 IonicContact OE2-NZ 3.3Å; E598-K626 PolarHBondContact OE2-NZ 2.69Å
599	A	82.3	Confident	69.1	Low	62 Å²	62	87.5 Å²	87.5	51%	0.512	50%	0.504	S	S	.	.	P	Polyproline II helix	trans	-55.7	120	178.4	0	0	0	0	0	108.9	S597 K601	S597-A599 PolarHBondContact O-N 2.89Å; S597-A599 VanDerWaalsContact O-N 3.13Å; A599-K601 WeakPolarHBondContact O-CG 3.4Å
600	L	90.3	Very high	71.8	Confident	5 Å²	5	83 Å²	83	3%	0.026	47%	0.467	C	S	.	.	P	Polyproline II helix	trans	-56.9	141.6	-177.6	-71	169.7	0	0	0	110.2	E598 F605 Y624 F675 I930	E598-L600 PolarHBondContact O-N 2.96Å; E598-L600 VanDerWaalsContact O-N 3.08Å; L600-F605 HydrophobicContact CD2-CE2 4.34Å; L600-F605 HydrophobicContact CD2-CZ 4.28Å; L600-Y624 HydrophobicContact CD2-CE2 3.61Å; L600-F675 HydrophobicContact CB-CB 4.1Å; L600-F675 HydrophobicContact CB-CD1 4Å; L600-F675 HydrophobicContact CB-CG 4.32Å; L600-F675 WeakPolarHBondContact O-CB 3.42Å; L600-I930 HydrophobicContact CD1-CD1 4.05Å; L600-I930 HydrophobicContact CD1-CG1 4.44Å; L600-I930 HydrophobicContact CD2-CB 4.41Å; L600-I930 HydrophobicContact CD2-CD1 4.29Å
601	K	92.3	Very high	74.1	Confident	126 Å²	126	78.1 Å²	78.1	55%	0.548	43%	0.432	S	S	.	.			trans	-132.7	162.7	176.5	-52.4	179.3	-174.2	167.3	0	110.9	A599 E603 D604 F605	A599-K601 WeakPolarHBondContact O-CG 3.4Å; K601-E603 VanDerWaalsContact CB-OE2 3.25Å; K601-E603 WeakPolarHBondContact CB-OE2 3.39Å; K601-E603 PolarHBondContact O-N 3.01Å; K601-E603 VanDerWaalsContact O-N 3.15Å; K601-D604 PolarHBondContact N-OD2 3.21Å; K601-D604 PolarHBondContact O-N 2.78Å; K601-D604 VanDerWaalsContact O-N 3.09Å; K601-F605 VanDerWaalsContact O-CD2 3.31Å; K601-F605 WeakPolarHBondContact O-CD2 3.39Å
602	M	92.1	Very high	76.2	Confident	28 Å²	28	74.2 Å²	74.2	14%	0.138	40%	0.401	C	S	.	.	G	3₁₀ helix	trans	-58.8	-30.3	177.3	-162.6	67.4	-157.6	0	0	111.8	D604 F605 C607 L620 F675 T677 L905	M602-D604 VanDerWaalsContact C-N 3.33Å; M602-D604 PolarHBondContact O-N 2.79Å; M602-F605 PolarHBondContact O-N 3.47Å; M602-C607 WeakPolarHBondContact CE-SG 3.15Å; M602-L620 HydrophobicContact CE-CD1 4.24Å; M602-F675 HydrophobicContact CB-CE2 3.98Å; M602-F675 HydrophobicContact CB-CZ 4.39Å; M602-F675 HydrophobicContact SD-CE2 3.96Å; M602-F675 HydrophobicContact SD-CZ 3.72Å; M602-T677 HydrophobicContact CB-CG2 4.49Å; M602-L905 HydrophobicContact CE-CD1 4.28Å; M602-L905 HydrophobicContact CE-CD2 4.22Å; M602-L905 HydrophobicContact CE-CG 3.96Å; M602-L905 HydrophobicContact CG-CD1 3.91Å; M602-L905 HydrophobicContact SD-CD1 3.73Å; M602-L905 HydrophobicContact SD-CD2 4.26Å; M602-L905 HydrophobicContact SD-CG 4.05Å
603	E	93	Very high	78.2	Confident	135 Å²	135	69.2 Å²	69.2	63%	0.631	38%	0.382	S	S	*	.	G	3₁₀ helix	trans	-71.7	-21.4	-179.5	-61.9	67.4	-142.1	0	0	113.4	K601 F605 K625	K601-E603 VanDerWaalsContact CB-OE2 3.25Å; K601-E603 WeakPolarHBondContact CB-OE2 3.39Å; K601-E603 PolarHBondContact O-N 3.01Å; K601-E603 VanDerWaalsContact O-N 3.15Å; E603-F605 PolarHBondContact O-N 2.96Å; E603-K625 PolarHBondContact O-NZ 3.43Å
604	D	93.7	Very high	79.4	Confident	31 Å²	31	66.2 Å²	66.2	17%	0.166	37%	0.371	C	S	.	.	G	3₁₀ helix	trans	-70.8	-16.9	173.2	-65.5	-64.8	0	0	0	112.4	K601 M602 Y624 K625 K626	K601-D604 PolarHBondContact N-OD2 3.21Å; K601-D604 PolarHBondContact O-N 2.78Å; K601-D604 VanDerWaalsContact O-N 3.09Å; M602-D604 VanDerWaalsContact C-N 3.33Å; M602-D604 PolarHBondContact O-N 2.79Å; D604-Y624 HydrophobicContact CB-CD2 4.01Å; D604-Y624 HydrophobicContact CB-CE2 3.61Å; D604-K625 WeakPolarHBondContact O-CB 3.21Å; D604-K625 VanDerWaalsContact O-CG 3.3Å; D604-K625 WeakPolarHBondContact O-CG 3.17Å; D604-K625 PolarHBondContact O-N 3.37Å; D604-K626 VanDerWaalsContact OD1-CE 3.28Å; D604-K626 WeakPolarHBondContact OD1-CE 3.31Å; D604-K626 IonicContact OD1-NZ 2.75Å; D604-K626 PolarHBondContact OD1-NZ 3.17Å
605	F	94.9	Very high	80.6	Confident	6 Å²	6	64.6 Å²	64.6	3%	0.026	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	151.8	-175.9	-65	-83.6	0	0	0	112.7	L600 K601 M602 E603 A622 E623 Y624 K625 F631 I633 F675 V684 I930	L600-F605 HydrophobicContact CD2-CE2 4.34Å; L600-F605 HydrophobicContact CD2-CZ 4.28Å; K601-F605 VanDerWaalsContact O-CD2 3.31Å; K601-F605 WeakPolarHBondContact O-CD2 3.39Å; M602-F605 PolarHBondContact O-N 3.47Å; E603-F605 PolarHBondContact O-N 2.96Å; F605-A622 HydrophobicContact CB-CB 4.19Å; F605-A622 HydrophobicContact CD1-CB 4.18Å; F605-E623 CarbonylContact C-O 3.44Å; F605-E623 WeakPolarHBondContact CA-O 3.35Å; F605-Y624 AromaticContact CD1-CD2 3.99Å; F605-Y624 HydrophobicContact CD1-CD2 3.99Å; F605-Y624 AromaticContact CE1-CD2 3.56Å; F605-Y624 HydrophobicContact CE1-CD2 3.56Å; F605-Y624 HydrophobicContact CE1-CG 4.13Å; F605-Y624 HydrophobicContact CE2-CD2 4.21Å; F605-Y624 HydrophobicContact CG-CD2 4.5Å; F605-Y624 AromaticContact CZ-CD2 3.67Å; F605-Y624 HydrophobicContact CZ-CD2 3.67Å; F605-Y624 HydrophobicContact CZ-CE2 4.21Å; F605-K625 WeakPolarHBondContact O-CE 3.32Å; F605-K625 PolarHBondContact O-NZ 3.21Å; F605-F631 HydrophobicContact CE1-CD2 4.17Å; F605-I633 HydrophobicContact CB-CD1 4.17Å; F605-I633 HydrophobicContact CD1-CD1 3.81Å; F605-I633 HydrophobicContact CD2-CD1 4.01Å; F605-I633 HydrophobicContact CE1-CD1 4.17Å; F605-I633 HydrophobicContact CE2-CD1 4.38Å; F605-I633 HydrophobicContact CG-CD1 3.72Å; F605-I633 HydrophobicContact CZ-CD1 4.46Å; F605-F675 HydrophobicContact CD2-CE1 4.08Å; F605-F675 HydrophobicContact CD2-CZ 4.33Å; F605-F675 HydrophobicContact CE2-CD1 4.34Å; F605-F675 AromaticContact CE2-CE1 3.7Å; F605-F675 HydrophobicContact CE2-CE1 3.7Å; F605-F675 HydrophobicContact CE2-CZ 4.38Å; F605-V684 HydrophobicContact CE1-CG1 3.92Å; F605-V684 HydrophobicContact CE2-CG2 4.28Å; F605-V684 HydrophobicContact CZ-CG1 3.79Å; F605-V684 HydrophobicContact CZ-CG2 3.95Å; F605-I930 HydrophobicContact CZ-CD1 4.19Å
606	Q	95	Very high	81.7	Confident	108 Å²	108	59.3 Å²	59.3	51%	0.505	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	109.1	168.2	175.7	166	-37.5	0	0	108.7	A622 E623 K625	Q606-A622 VanDerWaalsContact O-CA 3.31Å; Q606-A622 WeakPolarHBondContact O-CA 3.45Å; Q606-E623 HydrophobicContact CB-CB 4.44Å; Q606-E623 PolarHBondContact N-O 2.8Å; Q606-E623 PolarHBondContact O-N 3.25Å; Q606-K625 HydrophobicContact CB-CG 4.36Å
607	C	94.6	Very high	83.4	Confident	31 Å²	31	51.5 Å²	51.5	21%	0.209	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	129.1	178.9	-62.7	0	0	0	0	111.4	M602 L621 P903	M602-C607 WeakPolarHBondContact CE-SG 3.15Å; C607-L621 WeakPolarHBondContact CA-O 3.38Å; C607-P903 HydrophobicContact CB-CB 4.04Å; C607-P903 WeakPolarHBondContact CB-O 3.2Å
608	V	93.1	Very high	84.9	Confident	47 Å²	47	49.5 Å²	49.5	29%	0.285	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	-48.1	-172.2	178.8	0	0	0	0	111.4	L621 M630 L889	V608-L621 HydrophobicContact CB-CB 4.39Å; V608-L621 HydrophobicContact CB-CD2 4.29Å; V608-L621 HydrophobicContact CB-CG 4.18Å; V608-L621 HydrophobicContact CG1-CD2 4.25Å; V608-L621 PolarHBondContact N-O 2.83Å; V608-M630 HydrophobicContact CG2-CE 4.3Å; V608-L889 HydrophobicContact CB-CD2 4.36Å; V608-L889 HydrophobicContact CG1-CD2 3.66Å; V608-L889 HydrophobicContact CG2-CD2 3.78Å
609	S	93.6	Very high	86.1	Confident	8 Å²	8	44.7 Å²	44.7	6%	0.056	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	166.2	-177.5	-163.8	0	0	0	0	111.4	L620 L621 T899	S609-L620 WeakPolarHBondContact O-CA 3.43Å; S609-L621 PolarHBondContact O-N 3.2Å; S609-T899 WeakPolarHBondContact OG-CA 3.41Å; S609-T899 WeakPolarHBondContact OG-CB 3.37Å; S609-T899 PolarHBondContact OG-O 3.17Å
610	V	92.8	Very high	86.7	Confident	0 Å²	0	41.7 Å²	41.7	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	115.6	167.4	-173.7	0	0	0	0	107.4	G612 K618 L620 F898 T899 L901 K902	V610-G612 WeakPolarHBondContact CG1-O 3.17Å; V610-K618 HydrophobicContact CG1-CB 4.36Å; V610-K618 HydrophobicContact CG1-CD 4.07Å; V610-K618 HydrophobicContact CG1-CG 4.2Å; V610-K618 HydrophobicContact CG2-CD 4.35Å; V610-L620 HydrophobicContact CB-CD2 4.32Å; V610-L620 HydrophobicContact CG1-CD2 4.34Å; V610-L620 HydrophobicContact CG2-CD2 3.77Å; V610-F898 CarbonylContact O-C 3.53Å; V610-F898 WeakPolarHBondContact O-CB 3.42Å; V610-T899 WeakPolarHBondContact O-CA 3.19Å; V610-T899 PolarHBondContact O-N 2.82Å; V610-L901 HydrophobicContact CB-CB 4.24Å; V610-L901 HydrophobicContact CG1-CD1 4.47Å; V610-L901 HydrophobicContact CG2-CB 3.87Å; V610-K902 WeakPolarHBondContact CG2-O 3.15Å
611	L	88.4	Confident	86.9	Confident	13 Å²	13	41.5 Å²	41.5	7%	0.068	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	-34.3	-179.9	-61.6	178.7	0	0	0	111.8	V619 L621 A632 Y687 V891 F894 F898	L611-V619 HydrophobicContact CB-CB 4.42Å; L611-V619 HydrophobicContact CB-CG1 4.22Å; L611-V619 HydrophobicContact CD1-CG1 4.29Å; L611-V619 PolarHBondContact N-O 2.69Å; L611-L621 HydrophobicContact CD1-CB 4.02Å; L611-L621 HydrophobicContact CD1-CD1 4.37Å; L611-L621 HydrophobicContact CD2-CB 3.89Å; L611-L621 HydrophobicContact CD2-CD2 4.42Å; L611-L621 HydrophobicContact CG-CB 3.86Å; L611-A632 HydrophobicContact CD1-CB 4.2Å; L611-Y687 HydrophobicContact CD1-CD2 3.9Å; L611-Y687 HydrophobicContact CD1-CE2 3.67Å; L611-Y687 HydrophobicContact CD2-CE2 4.19Å; L611-V891 HydrophobicContact CD2-CG1 3.94Å; L611-F894 HydrophobicContact CB-CD1 3.95Å; L611-F894 HydrophobicContact CB-CE1 4.06Å; L611-F894 HydrophobicContact CD1-CE1 4.22Å; L611-F894 HydrophobicContact CD1-CZ 4.26Å; L611-F894 HydrophobicContact CD2-CD1 3.86Å; L611-F894 HydrophobicContact CD2-CD2 3.76Å; L611-F894 HydrophobicContact CD2-CE1 3.93Å; L611-F894 HydrophobicContact CD2-CE2 3.84Å; L611-F894 HydrophobicContact CD2-CG 3.77Å; L611-F894 HydrophobicContact CD2-CZ 3.92Å; L611-F894 HydrophobicContact CG-CD1 4.4Å; L611-F894 HydrophobicContact CG-CE1 4.29Å; L611-F898 WeakPolarHBondContact O-CD2 3.28Å
612	G	84.9	Confident	87.1	Confident	14 Å²	14	35.5 Å²	35.5	14%	0.144	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.2	166.9	-176.1	0	0	0	0	0	113	V610 V619	V610-G612 WeakPolarHBondContact CG1-O 3.17Å; G612-V619 PolarHBondContact N-O 2.86Å; G612-V619 PolarHBondContact O-N 2.72Å
613	R	78.2	Confident	87.2	Confident	125 Å²	125	36.9 Å²	36.9	47%	0.472	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	121.8	178.2	-176.8	-175.7	177.5	-175.9	-1.1	110.8	K618 F898	R613-K618 HydrophobicContact CG-CG 4.31Å; R613-F898 HydrophobicContact CB-CD1 4.18Å; R613-F898 HydrophobicContact CB-CE1 3.93Å
614	G	66.1	Low	87.3	Confident	49 Å²	49	30.6 Å²	30.6	51%	0.505	17%	0.17	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	-172.8	175.6	0	0	0	0	0	113.1	F616 G617	G614-F616 VanDerWaalsContact C-N 3.28Å; G614-F616 PolarHBondContact O-N 2.74Å; G614-G617 PolarHBondContact N-O 2.91Å; G614-G617 VanDerWaalsContact N-O 3.07Å
615	H	61.8	Low	87.4	Confident	50 Å²	50	34.5 Å²	34.5	23%	0.231	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-17.1	-174.7	-174.6	-139.3	0	0	0	115.2	G487 F490 R644	G487-H615 PolarHBondContact O-CD2 2.88Å; G487-H615 PolarHBondContact O-NE2 3.37Å; F490-H615 PolarHBondContact O-CE1 3.43Å; H615-R644 PolarHBondContact CE1-NH1 3.18Å; H615-R644 VanDerWaalsContact CE1-NH1 3.34Å; H615-R644 PolarHBondContact CE1-NH2 3.33Å; H615-R644 VanDerWaalsContact CE1-NH2 3.26Å; H615-R644 PolarHBondContact ND1-NH1 3.43Å; H615-R644 VanDerWaalsContact NE2-CZ 3.33Å; H615-R644 PolarHBondContact NE2-NH2 3.41Å; H615-R644 PolarHBondContact O-NH1 3.49Å
616	F	62	Low	87.2	Confident	15 Å²	15	39.1 Å²	39.1	7%	0.066	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-123.3	-4.7	-174.6	-52.5	-93.1	0	0	0	113.7	G614 L636 K637 R644 E646	G614-F616 VanDerWaalsContact C-N 3.28Å; G614-F616 PolarHBondContact O-N 2.74Å; F616-L636 HydrophobicContact CB-CB 4.26Å; F616-L636 HydrophobicContact CB-CD2 4.04Å; F616-L636 HydrophobicContact CB-CG 4.33Å; F616-L636 WeakPolarHBondContact O-CA 3.36Å; F616-K637 PolarHBondContact O-N 2.83Å; F616-R644 VanDerWaalsContact CE1-CD 3.43Å; F616-E646 VanDerWaalsContact CE1-CD 3.46Å; F616-E646 WeakPolarHBondContact CE1-OE1 3.36Å; F616-E646 WeakPolarHBondContact CE1-OE2 3.03Å; F616-E646 VanDerWaalsContact CZ-CD 3.41Å; F616-E646 WeakPolarHBondContact CZ-OE1 3.24Å; F616-E646 WeakPolarHBondContact CZ-OE2 3.45Å
617	G	77.6	Confident	87.1	Confident	19 Å²	19	37.3 Å²	37.3	20%	0.196	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-179.9	-172.4	-155.6	0	0	0	0	0	116.2	G614 A635	G614-G617 PolarHBondContact N-O 2.91Å; G614-G617 VanDerWaalsContact N-O 3.07Å; G617-A635 CarbonylContact C-O 3.5Å; G617-A635 WeakPolarHBondContact CA-O 3.27Å
618	K	89.1	Confident	86.9	Confident	30 Å²	30	37.7 Å²	37.7	13%	0.13	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	152.1	177.7	-77.9	178.8	170.1	175.4	0	110.3	V610 R613 L620 A635 T906	V610-K618 HydrophobicContact CG1-CB 4.36Å; V610-K618 HydrophobicContact CG1-CD 4.07Å; V610-K618 HydrophobicContact CG1-CG 4.2Å; V610-K618 HydrophobicContact CG2-CD 4.35Å; R613-K618 HydrophobicContact CG-CG 4.31Å; K618-L620 HydrophobicContact CB-CD2 4.22Å; K618-L620 HydrophobicContact CD-CD2 4.29Å; K618-A635 PolarHBondContact N-O 3.42Å; K618-A635 PolarHBondContact O-N 3.28Å; K618-T906 VanDerWaalsContact CE-OG1 3.27Å; K618-T906 WeakPolarHBondContact CE-OG1 3.43Å; K618-T906 PolarHBondContact NZ-OG1 2.86Å
619	V	92	Very high	86.9	Confident	36 Å²	36	40.3 Å²	40.3	22%	0.218	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	119.9	163	-173.4	0	0	0	0	107.9	L611 G612 A632 I633 K634 M685	L611-V619 HydrophobicContact CB-CB 4.42Å; L611-V619 HydrophobicContact CB-CG1 4.22Å; L611-V619 HydrophobicContact CD1-CG1 4.29Å; L611-V619 PolarHBondContact N-O 2.69Å; G612-V619 PolarHBondContact N-O 2.86Å; G612-V619 PolarHBondContact O-N 2.72Å; V619-A632 HydrophobicContact CG1-CB 4.07Å; V619-I633 CarbonylContact C-O 3.33Å; V619-I633 WeakPolarHBondContact CA-O 3.16Å; V619-K634 HydrophobicContact CG2-CB 4.39Å; V619-K634 HydrophobicContact CG2-CG 4.45Å; V619-M685 HydrophobicContact CG1-CE 4.39Å
620	L	94.4	Very high	87	Confident	0 Å²	0	41 Å²	41	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	134.5	179.9	-57.9	-179.8	0	0	0	110.1	M602 S609 V610 K618 A632 I633 L905	M602-L620 HydrophobicContact CE-CD1 4.24Å; S609-L620 WeakPolarHBondContact O-CA 3.43Å; V610-L620 HydrophobicContact CB-CD2 4.32Å; V610-L620 HydrophobicContact CG1-CD2 4.34Å; V610-L620 HydrophobicContact CG2-CD2 3.77Å; K618-L620 HydrophobicContact CB-CD2 4.22Å; K618-L620 HydrophobicContact CD-CD2 4.29Å; L620-A632 CarbonylContact O-C 3.52Å; L620-A632 WeakPolarHBondContact O-CA 3.26Å; L620-I633 PolarHBondContact N-O 3.36Å; L620-I633 PolarHBondContact O-N 2.71Å; L620-L905 HydrophobicContact CD1-CD2 4.14Å
621	L	95.5	Very high	87.1	Confident	0 Å²	0	41.2 Å²	41.2	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	127.1	162.4	-176.4	56	0	0	0	108.2	C607 V608 S609 L611 M630 Y687 V891	C607-L621 WeakPolarHBondContact CA-O 3.38Å; V608-L621 HydrophobicContact CB-CB 4.39Å; V608-L621 HydrophobicContact CB-CD2 4.29Å; V608-L621 HydrophobicContact CB-CG 4.18Å; V608-L621 HydrophobicContact CG1-CD2 4.25Å; V608-L621 PolarHBondContact N-O 2.83Å; S609-L621 PolarHBondContact O-N 3.2Å; L611-L621 HydrophobicContact CD1-CB 4.02Å; L611-L621 HydrophobicContact CD1-CD1 4.37Å; L611-L621 HydrophobicContact CD2-CB 3.89Å; L611-L621 HydrophobicContact CD2-CD2 4.42Å; L611-L621 HydrophobicContact CG-CB 3.86Å; L621-M630 HydrophobicContact CD1-CB 4.48Å; L621-M630 HydrophobicContact CD1-CE 3.74Å; L621-M630 HydrophobicContact CD2-CE 3.7Å; L621-M630 HydrophobicContact CG-CE 3.66Å; L621-Y687 HydrophobicContact CD1-CD1 3.76Å; L621-Y687 HydrophobicContact CD1-CD2 3.64Å; L621-Y687 HydrophobicContact CD1-CE1 3.67Å; L621-Y687 HydrophobicContact CD1-CE2 3.57Å; L621-Y687 HydrophobicContact CD1-CG 3.75Å; L621-Y687 HydrophobicContact CD2-CE1 4.35Å; L621-Y687 HydrophobicContact CD2-CE2 4.48Å; L621-V891 HydrophobicContact CD2-CG1 3.51Å
622	A	95.6	Very high	87.5	Confident	0 Å²	0	41 Å²	41	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	138.9	-178.4	0	0	0	0	0	112.8	F605 Q606 F631 I633	F605-A622 HydrophobicContact CB-CB 4.19Å; F605-A622 HydrophobicContact CD1-CB 4.18Å; Q606-A622 VanDerWaalsContact O-CA 3.31Å; Q606-A622 WeakPolarHBondContact O-CA 3.45Å; A622-F631 PolarHBondContact N-O 2.99Å; A622-F631 PolarHBondContact O-N 3.27Å; A622-I633 HydrophobicContact CB-CD1 3.58Å; A622-I633 HydrophobicContact CB-CG1 4Å
623	E	95.3	Very high	88	Confident	57 Å²	57	40.3 Å²	40.3	27%	0.266	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	130.6	171.9	-171.1	-176	156.8	0	0	109.4	F605 Q606 K625 M630	F605-E623 CarbonylContact C-O 3.44Å; F605-E623 WeakPolarHBondContact CA-O 3.35Å; Q606-E623 HydrophobicContact CB-CB 4.44Å; Q606-E623 PolarHBondContact N-O 2.8Å; Q606-E623 PolarHBondContact O-N 3.25Å; E623-K625 PolarHBondContact O-N 2.84Å; E623-M630 HydrophobicContact CB-SD 3.78Å; E623-M630 HydrophobicContact CG-SD 4.05Å
624	Y	95.3	Very high	88.7	Confident	4 Å²	4	35.2 Å²	35.2	2%	0.016	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	111.8	174.1	-176.2	-115.7	0	0	0	110.1	L600 D604 F605 K626 S627 G628 K629 F631 I930	L600-Y624 HydrophobicContact CD2-CE2 3.61Å; D604-Y624 HydrophobicContact CB-CD2 4.01Å; D604-Y624 HydrophobicContact CB-CE2 3.61Å; F605-Y624 AromaticContact CD1-CD2 3.99Å; F605-Y624 HydrophobicContact CD1-CD2 3.99Å; F605-Y624 AromaticContact CE1-CD2 3.56Å; F605-Y624 HydrophobicContact CE1-CD2 3.56Å; F605-Y624 HydrophobicContact CE1-CG 4.13Å; F605-Y624 HydrophobicContact CE2-CD2 4.21Å; F605-Y624 HydrophobicContact CG-CD2 4.5Å; F605-Y624 AromaticContact CZ-CD2 3.67Å; F605-Y624 HydrophobicContact CZ-CD2 3.67Å; F605-Y624 HydrophobicContact CZ-CE2 4.21Å; Y624-K626 HydrophobicContact CD1-CB 4.14Å; Y624-K626 HydrophobicContact CE1-CB 3.71Å; Y624-K626 HydrophobicContact CE1-CD 4.22Å; Y624-K626 HydrophobicContact CE1-CG 4.17Å; Y624-K626 PolarHBondContact O-N 3.12Å; Y624-S627 PolarHBondContact O-N 2.86Å; Y624-G628 PolarHBondContact O-N 3.29Å; Y624-K629 PolarHBondContact N-O 2.65Å; Y624-F631 HydrophobicContact CG-CE2 4.39Å; Y624-I930 HydrophobicContact CD1-CG2 3.79Å; Y624-I930 HydrophobicContact CE1-CG2 3.38Å; Y624-I930 HydrophobicContact CE2-CG2 4.36Å; Y624-I930 HydrophobicContact CG-CG2 4.41Å
625	K	94.6	Very high	90	Very high	113 Å²	113	33 Å²	33	49%	0.491	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60	-26.7	-165.5	-68.9	166.7	179.5	156.3	0	114.6	E603 D604 F605 Q606 E623 S627	E603-K625 PolarHBondContact O-NZ 3.43Å; D604-K625 WeakPolarHBondContact O-CB 3.21Å; D604-K625 VanDerWaalsContact O-CG 3.3Å; D604-K625 WeakPolarHBondContact O-CG 3.17Å; D604-K625 PolarHBondContact O-N 3.37Å; F605-K625 WeakPolarHBondContact O-CE 3.32Å; F605-K625 PolarHBondContact O-NZ 3.21Å; Q606-K625 HydrophobicContact CB-CG 4.36Å; E623-K625 PolarHBondContact O-N 2.84Å; K625-S627 VanDerWaalsContact C-N 3.34Å
626	K	92	Very high	91.4	Very high	102 Å²	102	31.3 Å²	31.3	44%	0.443	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-19.5	179.4	-56	-177.1	-167.1	163.7	0	113.3	E598 D604 Y624	E598-K626 IonicContact OE2-NZ 3.3Å; E598-K626 PolarHBondContact OE2-NZ 2.69Å; D604-K626 VanDerWaalsContact OD1-CE 3.28Å; D604-K626 WeakPolarHBondContact OD1-CE 3.31Å; D604-K626 IonicContact OD1-NZ 2.75Å; D604-K626 PolarHBondContact OD1-NZ 3.17Å; Y624-K626 HydrophobicContact CD1-CB 4.14Å; Y624-K626 HydrophobicContact CE1-CB 3.71Å; Y624-K626 HydrophobicContact CE1-CD 4.22Å; Y624-K626 HydrophobicContact CE1-CG 4.17Å; Y624-K626 PolarHBondContact O-N 3.12Å
627	S	92.1	Very high	92.7	Very high	70 Å²	70	31.6 Å²	31.6	49%	0.49	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-134.3	-10.1	-174.5	71.9	0	0	0	0	116.1	Y624 K625 K629	Y624-S627 PolarHBondContact O-N 2.86Å; K625-S627 VanDerWaalsContact C-N 3.34Å; S627-K629 PolarHBondContact O-N 3.14Å; S627-K629 WeakPolarHBondContact OG-CB 3.49Å; S627-K629 PolarHBondContact OG-N 3.1Å
628	G	91.1	Very high	93.4	Very high	40 Å²	40	30.8 Å²	30.8	41%	0.412	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	68.7	8.1	-174.2	0	0	0	0	0	114.2	Y624	Y624-G628 PolarHBondContact O-N 3.29Å
629	K	93.5	Very high	93.3	Very high	101 Å²	101	30 Å²	30	44%	0.439	16%	0.16	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	139.1	-180	-174.5	178.4	172.1	-164.1	0	111.1	Y624 S627 F631 H672	Y624-K629 PolarHBondContact N-O 2.65Å; S627-K629 PolarHBondContact O-N 3.14Å; S627-K629 WeakPolarHBondContact OG-CB 3.49Å; S627-K629 PolarHBondContact OG-N 3.1Å; K629-F631 HydrophobicContact CB-CE2 3.81Å; K629-F631 HydrophobicContact CB-CZ 4.23Å; K629-F631 HydrophobicContact CD-CE1 4.26Å; K629-F631 HydrophobicContact CD-CE2 4.11Å; K629-F631 HydrophobicContact CD-CZ 3.67Å; K629-F631 HydrophobicContact CG-CE2 3.85Å; K629-F631 HydrophobicContact CG-CZ 3.95Å; K629-F631 VanDerWaalsContact O-CD2 3.24Å; K629-F631 WeakPolarHBondContact O-CD2 3.49Å; K629-F631 WeakPolarHBondContact O-CE2 3.43Å; K629-H672 PolarHBondContact NZ-NE2 3.31Å
630	M	94.7	Very high	93	Very high	24 Å²	24	30.3 Å²	30.3	12%	0.118	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	137.9	179.9	-58.2	-63.9	-85.8	0	0	112.3	V608 L621 E623 Y687 P888 L889	V608-M630 HydrophobicContact CG2-CE 4.3Å; L621-M630 HydrophobicContact CD1-CB 4.48Å; L621-M630 HydrophobicContact CD1-CE 3.74Å; L621-M630 HydrophobicContact CD2-CE 3.7Å; L621-M630 HydrophobicContact CG-CE 3.66Å; E623-M630 HydrophobicContact CB-SD 3.78Å; E623-M630 HydrophobicContact CG-SD 4.05Å; M630-Y687 HydrophobicContact CB-CD1 3.86Å; M630-P888 WeakPolarHBondContact CE-O 3.5Å; M630-L889 HydrophobicContact CE-CD2 3.63Å; M630-L889 HydrophobicContact CE-CG 4.47Å; M630-L889 HydrophobicContact SD-CD2 4.36Å
631	F	95.6	Very high	92.6	Very high	3 Å²	3	30.4 Å²	30.4	1%	0.013	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	158.1	-180	-62.2	-90.6	0	0	0	111.1	F605 A622 Y624 K629 H672 V684 I930	F605-F631 HydrophobicContact CE1-CD2 4.17Å; A622-F631 PolarHBondContact N-O 2.99Å; A622-F631 PolarHBondContact O-N 3.27Å; Y624-F631 HydrophobicContact CG-CE2 4.39Å; K629-F631 HydrophobicContact CB-CE2 3.81Å; K629-F631 HydrophobicContact CB-CZ 4.23Å; K629-F631 HydrophobicContact CD-CE1 4.26Å; K629-F631 HydrophobicContact CD-CE2 4.11Å; K629-F631 HydrophobicContact CD-CZ 3.67Å; K629-F631 HydrophobicContact CG-CE2 3.85Å; K629-F631 HydrophobicContact CG-CZ 3.95Å; K629-F631 VanDerWaalsContact O-CD2 3.24Å; K629-F631 WeakPolarHBondContact O-CD2 3.49Å; K629-F631 WeakPolarHBondContact O-CE2 3.43Å; F631-H672 HydrophobicContact CD1-CB 4.15Å; F631-H672 AromaticContact CD1-CD2 3.76Å; F631-H672 HydrophobicContact CE1-CB 3.74Å; F631-H672 AromaticContact CE1-CD2 3.45Å; F631-H672 VanDerWaalsContact CE1-CD2 3.45Å; F631-H672 WeakPolarHBondContact CE1-CD2 3.46Å; F631-H672 AromaticContact CE1-CG 3.61Å; F631-V684 HydrophobicContact CB-CG1 3.81Å; F631-V684 HydrophobicContact CD1-CG1 3.82Å; F631-V684 HydrophobicContact CG-CG1 3.85Å; F631-I930 HydrophobicContact CD1-CD1 4.46Å; F631-I930 HydrophobicContact CE1-CD1 3.87Å; F631-I930 HydrophobicContact CE1-CG1 4.31Å; F631-I930 HydrophobicContact CE2-CD1 4.23Å; F631-I930 HydrophobicContact CZ-CD1 3.73Å; F631-I930 HydrophobicContact CZ-CG1 4.19Å
632	A	95.4	Very high	92.2	Very high	8 Å²	8	32.3 Å²	32.3	7%	0.066	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	111	172.1	0	0	0	0	0	109.6	L611 V619 L620 M685	L611-A632 HydrophobicContact CD1-CB 4.2Å; V619-A632 HydrophobicContact CG1-CB 4.07Å; L620-A632 CarbonylContact O-C 3.52Å; L620-A632 WeakPolarHBondContact O-CA 3.26Å; A632-M685 HydrophobicContact CB-CE 4.24Å; A632-M685 PolarHBondContact N-O 3.37Å; A632-M685 WeakPolarHBondContact O-CA 3.5Å; A632-M685 WeakPolarHBondContact O-CB 3.04Å; A632-M685 PolarHBondContact O-N 2.72Å
633	I	95.7	Very high	91.7	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	107.7	-178	-55.2	-178.2	0	0	0	109.8	F605 V619 L620 A622 A635 C682 F683 V684	F605-I633 HydrophobicContact CB-CD1 4.17Å; F605-I633 HydrophobicContact CD1-CD1 3.81Å; F605-I633 HydrophobicContact CD2-CD1 4.01Å; F605-I633 HydrophobicContact CE1-CD1 4.17Å; F605-I633 HydrophobicContact CE2-CD1 4.38Å; F605-I633 HydrophobicContact CG-CD1 3.72Å; F605-I633 HydrophobicContact CZ-CD1 4.46Å; V619-I633 CarbonylContact C-O 3.33Å; V619-I633 WeakPolarHBondContact CA-O 3.16Å; L620-I633 PolarHBondContact N-O 3.36Å; L620-I633 PolarHBondContact O-N 2.71Å; A622-I633 HydrophobicContact CB-CD1 3.58Å; A622-I633 HydrophobicContact CB-CG1 4Å; I633-A635 PolarHBondContact O-N 3.28Å; I633-C682 HydrophobicContact CG2-CB 3.88Å; I633-F683 CarbonylContact C-O 3.13Å; I633-F683 VanDerWaalsContact CA-O 3.28Å; I633-F683 WeakPolarHBondContact CA-O 3.29Å; I633-V684 HydrophobicContact CG1-CG1 4.39Å; I633-V684 HydrophobicContact CG1-CG2 4.34Å
634	K	94.2	Very high	90.9	Very high	18 Å²	18	36.6 Å²	36.6	8%	0.078	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	103.1	169.6	-177.1	-169.2	-173.6	-172.2	0	107.8	V619 L636 E653 C682 F683 M685 D748	V619-K634 HydrophobicContact CG2-CB 4.39Å; V619-K634 HydrophobicContact CG2-CG 4.45Å; K634-L636 HydrophobicContact CD-CD1 4.19Å; K634-L636 HydrophobicContact CG-CD1 3.92Å; K634-E653 IonicContact NZ-OE1 3.57Å; K634-E653 PolarHBondContact NZ-OE1 2.98Å; K634-E653 IonicContact NZ-OE2 2.67Å; K634-E653 PolarHBondContact NZ-OE2 3Å; K634-C682 WeakPolarHBondContact O-CA 3.36Å; K634-F683 HydrophobicContact CB-CB 4.29Å; K634-F683 HydrophobicContact CD-CD2 4.27Å; K634-F683 PolarHBondContact N-O 3.24Å; K634-F683 PolarHBondContact O-N 2.93Å; K634-M685 HydrophobicContact CB-CE 3.73Å; K634-M685 HydrophobicContact CB-SD 4.27Å; K634-D748 WeakPolarHBondContact CE-OD2 3.29Å; K634-D748 VanDerWaalsContact NZ-CG 3.25Å; K634-D748 IonicContact NZ-OD1 2.67Å; K634-D748 PolarHBondContact NZ-OD1 2.89Å; K634-D748 IonicContact NZ-OD2 3.37Å; K634-D748 PolarHBondContact NZ-OD2 2.99Å
635	A	92.9	Very high	90.3	Very high	4 Å²	4	42.1 Å²	42.1	3%	0.033	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	113.6	-178.7	0	0	0	0	0	110.7	G617 K618 I633 V681 L905	G617-A635 CarbonylContact C-O 3.5Å; G617-A635 WeakPolarHBondContact CA-O 3.27Å; K618-A635 PolarHBondContact N-O 3.42Å; K618-A635 PolarHBondContact O-N 3.28Å; I633-A635 PolarHBondContact O-N 3.28Å; A635-V681 WeakPolarHBondContact CA-O 3.33Å; A635-L905 HydrophobicContact CB-CD2 3.5Å; A635-L905 VanDerWaalsContact CB-CD2 3.5Å
636	L	91.1	Very high	89.7	Confident	13 Å²	13	37.1 Å²	37.1	7%	0.068	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	148.1	177.5	-52.9	83	0	0	0	109.6	F616 K634 V641 L650 H680 V681 F683	F616-L636 HydrophobicContact CB-CB 4.26Å; F616-L636 HydrophobicContact CB-CD2 4.04Å; F616-L636 HydrophobicContact CB-CG 4.33Å; F616-L636 WeakPolarHBondContact O-CA 3.36Å; K634-L636 HydrophobicContact CD-CD1 4.19Å; K634-L636 HydrophobicContact CG-CD1 3.92Å; L636-V641 HydrophobicContact CB-CG2 4.35Å; L636-V641 HydrophobicContact CD2-CG2 4.45Å; L636-L650 HydrophobicContact CD1-CD1 4.5Å; L636-L650 HydrophobicContact CD2-CD1 4.28Å; L636-H680 CarbonylContact O-C 3.58Å; L636-H680 WeakPolarHBondContact O-CA 3.41Å; L636-H680 WeakPolarHBondContact O-CB 3.33Å; L636-V681 HydrophobicContact CB-CG2 3.95Å; L636-V681 HydrophobicContact CD1-CG2 4.4Å; L636-V681 PolarHBondContact N-O 3.46Å; L636-V681 PolarHBondContact O-N 3.22Å; L636-F683 HydrophobicContact CD1-CD2 3.75Å; L636-F683 HydrophobicContact CD1-CE2 3.75Å
637	K	90.1	Very high	89.5	Confident	21 Å²	21	33.7 Å²	33.7	9%	0.091	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	130.2	174.7	-65.8	149.5	174.1	169	0	111.1	F616 S639 E640 V641 E679 T906	F616-K637 PolarHBondContact O-N 2.83Å; K637-S639 VanDerWaalsContact C-N 3.32Å; K637-S639 PolarHBondContact O-N 3.09Å; K637-E640 HydrophobicContact CB-CB 4.18Å; K637-E640 HydrophobicContact CB-CG 4.3Å; K637-E640 HydrophobicContact CD-CG 3.93Å; K637-E640 VanDerWaalsContact CD-OE1 3.31Å; K637-E640 WeakPolarHBondContact CD-OE1 3.47Å; K637-E640 VanDerWaalsContact CD-OE2 3.3Å; K637-E640 WeakPolarHBondContact CD-OE2 3.5Å; K637-E640 VanDerWaalsContact NZ-CD 3.26Å; K637-E640 IonicContact NZ-OE1 2.77Å; K637-E640 PolarHBondContact NZ-OE1 2.67Å; K637-E640 IonicContact NZ-OE2 3.66Å; K637-E640 PolarHBondContact NZ-OE2 3.01Å; K637-E640 PolarHBondContact O-N 2.81Å; K637-E640 VanDerWaalsContact O-N 3.14Å; K637-V641 WeakPolarHBondContact O-CG2 3.48Å; K637-V641 PolarHBondContact O-N 3.04Å; K637-V641 VanDerWaalsContact O-N 3.1Å; K637-E679 CarbonylContact C-O 3.49Å; K637-E679 WeakPolarHBondContact CA-O 3.37Å; K637-T906 WeakPolarHBondContact CE-O 3.37Å
638	K	91.1	Very high	89.2	Confident	2 Å²	2	36.7 Å²	36.7	1%	0.009	20%	0.201	C	C	.	.	H	α-helix	trans	-53.8	-46.2	175.1	-71.5	176.9	167	178.5	0	112	E640 V641 I642 T677 E679 V681 V914 F922	K638-E640 PolarHBondContact O-N 3.26Å; K638-V641 PolarHBondContact O-N 2.99Å; K638-V641 VanDerWaalsContact O-N 3.14Å; K638-I642 WeakPolarHBondContact O-CD1 3.49Å; K638-I642 VanDerWaalsContact O-CG1 3.29Å; K638-I642 WeakPolarHBondContact O-CG1 3.13Å; K638-I642 PolarHBondContact O-N 2.92Å; K638-T677 PolarHBondContact NZ-O 3.3Å; K638-E679 PolarHBondContact N-O 3.14Å; K638-V681 HydrophobicContact CG-CG1 4Å; K638-V914 HydrophobicContact CB-CG2 4.09Å; K638-F922 HydrophobicContact CB-CE2 3.87Å; K638-F922 HydrophobicContact CB-CZ 4.03Å; K638-F922 HydrophobicContact CD-CD2 3.78Å; K638-F922 HydrophobicContact CD-CE2 3.96Å; K638-F922 HydrophobicContact CD-CG 4.31Å; K638-F922 HydrophobicContact CG-CD2 3.98Å; K638-F922 HydrophobicContact CG-CE1 4.34Å; K638-F922 HydrophobicContact CG-CE2 3.73Å; K638-F922 HydrophobicContact CG-CG 4.39Å; K638-F922 HydrophobicContact CG-CZ 3.92Å
639	S	87.6	Confident	88.9	Confident	15 Å²	15	37.5 Å²	37.5	11%	0.105	20%	0.2	C	C	.	.	H	α-helix	trans	-64.1	-34.2	179.4	52.6	0	0	0	0	113.9	K637 T643	K637-S639 VanDerWaalsContact C-N 3.32Å; K637-S639 PolarHBondContact O-N 3.09Å; S639-T643 WeakPolarHBondContact O-CB 3.33Å; S639-T643 VanDerWaalsContact O-CG2 3.29Å; S639-T643 WeakPolarHBondContact O-CG2 3.36Å; S639-T643 PolarHBondContact O-N 3.34Å; S639-T643 VanDerWaalsContact O-N 3.12Å; S639-T643 PolarHBondContact O-OG1 3.33Å
640	E	85.6	Confident	88.7	Confident	41 Å²	41	33.1 Å²	33.1	19%	0.192	18%	0.181	C	C	.	.	H	α-helix	trans	-78.4	-19.8	175.7	-68.9	177.7	-171	0	0	112.6	K637 K638 R644	K637-E640 HydrophobicContact CB-CB 4.18Å; K637-E640 HydrophobicContact CB-CG 4.3Å; K637-E640 HydrophobicContact CD-CG 3.93Å; K637-E640 VanDerWaalsContact CD-OE1 3.31Å; K637-E640 WeakPolarHBondContact CD-OE1 3.47Å; K637-E640 VanDerWaalsContact CD-OE2 3.3Å; K637-E640 WeakPolarHBondContact CD-OE2 3.5Å; K637-E640 VanDerWaalsContact NZ-CD 3.26Å; K637-E640 IonicContact NZ-OE1 2.77Å; K637-E640 PolarHBondContact NZ-OE1 2.67Å; K637-E640 IonicContact NZ-OE2 3.66Å; K637-E640 PolarHBondContact NZ-OE2 3.01Å; K637-E640 PolarHBondContact O-N 2.81Å; K637-E640 VanDerWaalsContact O-N 3.14Å; K638-E640 PolarHBondContact O-N 3.26Å; E640-R644 WeakPolarHBondContact O-CD 3.48Å; E640-R644 WeakPolarHBondContact O-CG 3.31Å
641	V	85.8	Confident	88.3	Confident	3 Å²	3	34.8 Å²	34.8	2%	0.018	19%	0.193	C	C	.	.	H	α-helix	trans	-79.7	-46	171.2	173.3	0	0	0	0	111.2	L636 K637 K638 R644 D645 E646 V647	L636-V641 HydrophobicContact CB-CG2 4.35Å; L636-V641 HydrophobicContact CD2-CG2 4.45Å; K637-V641 WeakPolarHBondContact O-CG2 3.48Å; K637-V641 PolarHBondContact O-N 3.04Å; K637-V641 VanDerWaalsContact O-N 3.1Å; K638-V641 PolarHBondContact O-N 2.99Å; K638-V641 VanDerWaalsContact O-N 3.14Å; V641-R644 PolarHBondContact O-N 3.15Å; V641-D645 PolarHBondContact O-N 3.07Å; V641-E646 HydrophobicContact CG1-CB 4.3Å; V641-E646 PolarHBondContact O-N 3.38Å; V641-E646 VanDerWaalsContact O-N 3.09Å; V641-V647 HydrophobicContact CG1-CG2 4.31Å
642	I	87.3	Confident	88	Confident	39 Å²	39	35.3 Å²	35.3	20%	0.2	20%	0.197	C	C	.	.	H	α-helix	trans	-65.8	-49.5	-179.7	-61.7	154	0	0	0	111.1	K638 R644 D645 V914 E918 F922	K638-I642 WeakPolarHBondContact O-CD1 3.49Å; K638-I642 VanDerWaalsContact O-CG1 3.29Å; K638-I642 WeakPolarHBondContact O-CG1 3.13Å; K638-I642 PolarHBondContact O-N 2.92Å; I642-R644 PolarHBondContact O-N 3.42Å; I642-D645 PolarHBondContact O-N 3.26Å; I642-V914 HydrophobicContact CD1-CB 4.44Å; I642-V914 HydrophobicContact CD1-CG1 3.52Å; I642-V914 HydrophobicContact CD1-CG2 4.05Å; I642-E918 HydrophobicContact CD1-CB 3.84Å; I642-E918 HydrophobicContact CD1-CG 4.31Å; I642-E918 HydrophobicContact CG2-CG 4.4Å; I642-F922 HydrophobicContact CD1-CE2 3.99Å; I642-F922 HydrophobicContact CD1-CZ 4.27Å; I642-F922 HydrophobicContact CG1-CE2 4.19Å; I642-F922 HydrophobicContact CG1-CZ 4.03Å
643	T	84.4	Confident	87.8	Confident	102 Å²	102	35.2 Å²	35.2	63%	0.626	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.1	-2.5	-176.6	54.5	0	0	0	0	114.6	S639	S639-T643 WeakPolarHBondContact O-CB 3.33Å; S639-T643 VanDerWaalsContact O-CG2 3.29Å; S639-T643 WeakPolarHBondContact O-CG2 3.36Å; S639-T643 PolarHBondContact O-N 3.34Å; S639-T643 VanDerWaalsContact O-N 3.12Å; S639-T643 PolarHBondContact O-OG1 3.33Å
644	R	78.3	Confident	87.5	Confident	45 Å²	45	36.5 Å²	36.5	17%	0.17	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-118.4	0.3	176.3	-65.7	177	171.6	161.2	-9.5	113.8	S494 H615 F616 E640 V641 I642 E646	S494-R644 PolarHBondContact OG-O 2.93Å; H615-R644 PolarHBondContact CE1-NH1 3.18Å; H615-R644 VanDerWaalsContact CE1-NH1 3.34Å; H615-R644 PolarHBondContact CE1-NH2 3.33Å; H615-R644 VanDerWaalsContact CE1-NH2 3.26Å; H615-R644 PolarHBondContact ND1-NH1 3.43Å; H615-R644 VanDerWaalsContact NE2-CZ 3.33Å; H615-R644 PolarHBondContact NE2-NH2 3.41Å; H615-R644 PolarHBondContact O-NH1 3.49Å; F616-R644 VanDerWaalsContact CE1-CD 3.43Å; E640-R644 WeakPolarHBondContact O-CD 3.48Å; E640-R644 WeakPolarHBondContact O-CG 3.31Å; V641-R644 PolarHBondContact O-N 3.15Å; I642-R644 PolarHBondContact O-N 3.42Å; R644-E646 HydrophobicContact CB-CG 3.99Å; R644-E646 WeakPolarHBondContact CB-OE1 2.96Å
645	D	82.8	Confident	87.4	Confident	121 Å²	121	41 Å²	41	65%	0.647	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.2	48.4	-177.7	-161.3	32.7	0	0	0	112.6	V641 I642	V641-D645 PolarHBondContact O-N 3.07Å; I642-D645 PolarHBondContact O-N 3.26Å
646	E	83.4	Confident	87.4	Confident	7 Å²	7	40.8 Å²	40.8	3%	0.033	22%	0.215	C	C	.	.			trans	-113.9	18.4	-175.8	-64.1	-170.6	-134.9	0	0	113.5	R492 F616 V641 R644 S649 L650	R492-E646 VanDerWaalsContact CD-CD 3.48Å; R492-E646 WeakPolarHBondContact CD-OE1 3.38Å; R492-E646 WeakPolarHBondContact CD-OE2 3.22Å; R492-E646 IonicContact CZ-OE2 3.1Å; R492-E646 IonicContact NE-OE2 3.69Å; R492-E646 IonicContact NH1-OE2 3.03Å; R492-E646 PolarHBondContact NH1-OE2 3.24Å; F616-E646 VanDerWaalsContact CE1-CD 3.46Å; F616-E646 WeakPolarHBondContact CE1-OE1 3.36Å; F616-E646 WeakPolarHBondContact CE1-OE2 3.03Å; F616-E646 VanDerWaalsContact CZ-CD 3.41Å; F616-E646 WeakPolarHBondContact CZ-OE1 3.24Å; F616-E646 WeakPolarHBondContact CZ-OE2 3.45Å; V641-E646 HydrophobicContact CG1-CB 4.3Å; V641-E646 PolarHBondContact O-N 3.38Å; V641-E646 VanDerWaalsContact O-N 3.09Å; R644-E646 HydrophobicContact CB-CG 3.99Å; R644-E646 WeakPolarHBondContact CB-OE1 2.96Å; E646-S649 WeakPolarHBondContact O-CB 3.33Å; E646-S649 PolarHBondContact O-N 3.15Å; E646-L650 PolarHBondContact O-N 3.28Å
647	V	87.4	Confident	87.5	Confident	30 Å²	30	40.1 Å²	40.1	18%	0.182	21%	0.212	C	C	.	.	H	α-helix	trans	-57	-51.5	174.8	165.6	0	0	0	0	111.1	V641 S649 L650 V651 V921	V641-V647 HydrophobicContact CG1-CG2 4.31Å; V647-S649 VanDerWaalsContact C-N 3.25Å; V647-S649 PolarHBondContact O-N 2.77Å; V647-L650 WeakPolarHBondContact O-CB 3.29Å; V647-L650 PolarHBondContact O-N 3.44Å; V647-L650 VanDerWaalsContact O-N 3.11Å; V647-V651 WeakPolarHBondContact O-CG2 3.47Å; V647-V651 PolarHBondContact O-N 2.85Å; V647-V921 HydrophobicContact CB-CG1 4.16Å; V647-V921 HydrophobicContact CG1-CG1 3.26Å; V647-V921 HydrophobicContact CG2-CG1 3.77Å
648	D	85.3	Confident	87.5	Confident	134 Å²	134	42.8 Å²	42.8	72%	0.717	23%	0.225	S	C	*	.	H	α-helix	trans	-62.8	-34.1	-179.5	-79.6	-5.5	0	0	0	111.9	V651 C652	D648-V651 PolarHBondContact O-N 2.9Å; D648-C652 WeakPolarHBondContact O-CB 3.18Å; D648-C652 PolarHBondContact O-N 2.96Å
649	S	84.9	Confident	87.6	Confident	56 Å²	56	44.8 Å²	44.8	39%	0.392	24%	0.237	S	C	.	.	H	α-helix	trans	-66.2	-40.7	174.3	-55.5	0	0	0	0	112.1	E646 V647 C652 E653	E646-S649 WeakPolarHBondContact O-CB 3.33Å; E646-S649 PolarHBondContact O-N 3.15Å; V647-S649 VanDerWaalsContact C-N 3.25Å; V647-S649 PolarHBondContact O-N 2.77Å; S649-C652 PolarHBondContact O-N 3.33Å; S649-E653 WeakPolarHBondContact O-CB 3.47Å; S649-E653 PolarHBondContact O-N 3.5Å
650	L	88.3	Confident	87.8	Confident	9 Å²	9	44 Å²	44	5%	0.047	23%	0.232	C	C	.	.	H	α-helix	trans	-64.6	-42.5	175.2	-177.5	78.1	0	0	0	111.9	L636 E646 V647 E653 K654 V681 F683 F922 F925	L636-L650 HydrophobicContact CD1-CD1 4.5Å; L636-L650 HydrophobicContact CD2-CD1 4.28Å; E646-L650 PolarHBondContact O-N 3.28Å; V647-L650 WeakPolarHBondContact O-CB 3.29Å; V647-L650 PolarHBondContact O-N 3.44Å; V647-L650 VanDerWaalsContact O-N 3.11Å; L650-E653 PolarHBondContact O-N 2.99Å; L650-K654 PolarHBondContact O-N 3Å; L650-V681 HydrophobicContact CD1-CG2 3.94Å; L650-V681 HydrophobicContact CD2-CB 4.5Å; L650-V681 HydrophobicContact CD2-CG1 4.37Å; L650-V681 HydrophobicContact CD2-CG2 3.89Å; L650-F683 HydrophobicContact CD1-CE2 3.53Å; L650-F683 HydrophobicContact CD1-CZ 3.66Å; L650-F683 HydrophobicContact CG-CZ 4.41Å; L650-F922 HydrophobicContact CD2-CD1 3.86Å; L650-F922 HydrophobicContact CD2-CE1 3.63Å; L650-F925 HydrophobicContact CD1-CE2 4.19Å; L650-F925 HydrophobicContact CD2-CD2 4.28Å; L650-F925 HydrophobicContact CD2-CE2 4.15Å; L650-F925 HydrophobicContact CG-CE2 4.11Å
651	V	87.7	Confident	88	Confident	60 Å²	60	43.1 Å²	43.1	36%	0.364	23%	0.228	S	C	.	.	H	α-helix	trans	-68.1	-38.7	177.4	176.3	0	0	0	0	110.9	V647 D648 K654 R655	V647-V651 WeakPolarHBondContact O-CG2 3.47Å; V647-V651 PolarHBondContact O-N 2.85Å; D648-V651 PolarHBondContact O-N 2.9Å; V651-K654 PolarHBondContact O-N 3.41Å; V651-R655 PolarHBondContact O-N 3.25Å
652	C	88.4	Confident	88.2	Confident	14 Å²	14	48.1 Å²	48.1	10%	0.095	26%	0.263	C	S	.	.	H	α-helix	trans	-61.4	-45.6	171.7	-168.9	0	0	0	0	111.6	D648 S649 K654 R655 I656 E754	D648-C652 WeakPolarHBondContact O-CB 3.18Å; D648-C652 PolarHBondContact O-N 2.96Å; S649-C652 PolarHBondContact O-N 3.33Å; C652-K654 VanDerWaalsContact C-N 3.33Å; C652-K654 PolarHBondContact O-N 3.29Å; C652-R655 PolarHBondContact O-N 3.13Å; C652-I656 VanDerWaalsContact O-CG1 3.29Å; C652-I656 WeakPolarHBondContact O-CG1 3.48Å; C652-I656 PolarHBondContact O-N 3.47Å; C652-E754 PolarHBondContact SG-OE2 3.49Å; C652-E754 VanDerWaalsContact SG-OE2 3.33Å
653	E	91.1	Very high	88.3	Confident	6 Å²	6	48.9 Å²	48.9	3%	0.028	28%	0.275	C	S	.	.	H	α-helix	trans	-58.7	-43.4	176	-177.4	172.9	-173.9	0	0	111.1	K634 S649 L650 I656 F657 F683 F749 G750	K634-E653 IonicContact NZ-OE1 3.57Å; K634-E653 PolarHBondContact NZ-OE1 2.98Å; K634-E653 IonicContact NZ-OE2 2.67Å; K634-E653 PolarHBondContact NZ-OE2 3Å; S649-E653 WeakPolarHBondContact O-CB 3.47Å; S649-E653 PolarHBondContact O-N 3.5Å; L650-E653 PolarHBondContact O-N 2.99Å; E653-I656 PolarHBondContact O-N 3.1Å; E653-F657 HydrophobicContact CG-CD2 3.96Å; E653-F657 HydrophobicContact CG-CE2 3.74Å; E653-F657 VanDerWaalsContact O-CD2 3.24Å; E653-F657 WeakPolarHBondContact O-CD2 3.31Å; E653-F657 PolarHBondContact O-N 2.95Å; E653-F657 VanDerWaalsContact O-N 3.11Å; E653-F657 WeakPolarHBondContact OE1-CE2 3.14Å; E653-F683 HydrophobicContact CB-CZ 4.35Å; E653-F683 HydrophobicContact CG-CE1 4.43Å; E653-F683 HydrophobicContact CG-CZ 4.1Å; E653-F749 HydrophobicContact CG-CB 4.3Å; E653-G750 WeakPolarHBondContact OE2-CA 3.15Å
654	K	90.4	Very high	88.6	Confident	26 Å²	26	53.6 Å²	53.6	11%	0.113	28%	0.281	C	S	.	.	H	α-helix	trans	-59.8	-50	174.5	177.1	173.7	167.3	172.2	0	112.3	L650 V651 C652 I656 F657 E658 F683 D924 F925	L650-K654 PolarHBondContact O-N 3Å; V651-K654 PolarHBondContact O-N 3.41Å; C652-K654 VanDerWaalsContact C-N 3.33Å; C652-K654 PolarHBondContact O-N 3.29Å; K654-I656 VanDerWaalsContact C-N 3.32Å; K654-I656 PolarHBondContact O-N 3Å; K654-F657 WeakPolarHBondContact O-CB 3.3Å; K654-F657 PolarHBondContact O-N 3.26Å; K654-E658 WeakPolarHBondContact CE-OE1 3.48Å; K654-E658 IonicContact NZ-OE1 3.84Å; K654-E658 WeakPolarHBondContact O-CG 3.33Å; K654-E658 PolarHBondContact O-N 2.97Å; K654-F683 HydrophobicContact CB-CE1 4.16Å; K654-D924 PolarHBondContact NZ-O 3.14Å; K654-F925 HydrophobicContact CD-CD2 4.48Å; K654-F925 PolarHBondContact NZ-O 3.38Å
655	R	91.7	Very high	89.4	Confident	112 Å²	112	52.3 Å²	52.3	42%	0.423	28%	0.277	S	S	.	.	H	α-helix	trans	-60.8	-40.7	179.7	-73.4	-163.3	-61.4	-103.4	-2.4	112.5	V651 C652 F657 E658 V659 E754	V651-R655 PolarHBondContact O-N 3.25Å; C652-R655 PolarHBondContact O-N 3.13Å; R655-F657 VanDerWaalsContact C-N 3.33Å; R655-F657 PolarHBondContact O-N 3.49Å; R655-E658 WeakPolarHBondContact O-CB 3.47Å; R655-E658 PolarHBondContact O-N 2.73Å; R655-E658 VanDerWaalsContact O-N 3.07Å; R655-V659 PolarHBondContact O-N 2.91Å; R655-E754 VanDerWaalsContact CB-OE1 3.31Å; R655-E754 WeakPolarHBondContact CB-OE1 3.49Å; R655-E754 IonicContact CZ-OE2 3.75Å; R655-E754 VanDerWaalsContact CZ-OE2 3.22Å; R655-E754 IonicContact NE-OE1 3.05Å; R655-E754 PolarHBondContact NE-OE1 2.9Å; R655-E754 IonicContact NE-OE2 2.97Å; R655-E754 PolarHBondContact NE-OE2 3.37Å; R655-E754 IonicContact NH2-OE2 2.65Å; R655-E754 PolarHBondContact NH2-OE2 3.42Å
656	I	92.7	Very high	90	Very high	0 Å²	0	48 Å²	48	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-61.8	-42.6	177.4	-70.2	171.5	0	0	0	110.6	C652 E653 K654 E658 V659 I660 L721 I726 F749 C752 E754	C652-I656 VanDerWaalsContact O-CG1 3.29Å; C652-I656 WeakPolarHBondContact O-CG1 3.48Å; C652-I656 PolarHBondContact O-N 3.47Å; E653-I656 PolarHBondContact O-N 3.1Å; K654-I656 VanDerWaalsContact C-N 3.32Å; K654-I656 PolarHBondContact O-N 3Å; I656-E658 VanDerWaalsContact C-N 3.33Å; I656-E658 PolarHBondContact O-N 2.78Å; I656-V659 PolarHBondContact O-N 2.94Å; I656-I660 HydrophobicContact CG2-CD1 3.83Å; I656-I660 VanDerWaalsContact O-CG1 3.25Å; I656-I660 WeakPolarHBondContact O-CG1 3.41Å; I656-I660 PolarHBondContact O-N 2.89Å; I656-L721 HydrophobicContact CG2-CD2 4.48Å; I656-I726 HydrophobicContact CD1-CG2 3.83Å; I656-I726 HydrophobicContact CG1-CD1 3.99Å; I656-I726 HydrophobicContact CG1-CG1 4.28Å; I656-I726 HydrophobicContact CG1-CG2 4.27Å; I656-I726 HydrophobicContact CG2-CD1 4.32Å; I656-F749 HydrophobicContact CG2-CB 4.03Å; I656-F749 HydrophobicContact CG2-CD1 4.24Å; I656-F749 HydrophobicContact CG2-CG 4.1Å; I656-C752 HydrophobicContact CD1-CB 3.46Å; I656-C752 VanDerWaalsContact CD1-CB 3.46Å; I656-E754 HydrophobicContact CD1-CG 4.11Å; I656-E754 HydrophobicContact CG1-CG 3.85Å
657	F	92.6	Very high	90.7	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-62.2	-35.6	172	-81.9	-62.6	0	0	0	113.4	E653 K654 R655 I660 N661 V669 L671 F683 M685 F749	E653-F657 HydrophobicContact CG-CD2 3.96Å; E653-F657 HydrophobicContact CG-CE2 3.74Å; E653-F657 VanDerWaalsContact O-CD2 3.24Å; E653-F657 WeakPolarHBondContact O-CD2 3.31Å; E653-F657 PolarHBondContact O-N 2.95Å; E653-F657 VanDerWaalsContact O-N 3.11Å; E653-F657 WeakPolarHBondContact OE1-CE2 3.14Å; K654-F657 WeakPolarHBondContact O-CB 3.3Å; K654-F657 PolarHBondContact O-N 3.26Å; R655-F657 VanDerWaalsContact C-N 3.33Å; R655-F657 PolarHBondContact O-N 3.49Å; F657-I660 PolarHBondContact O-N 3.36Å; F657-N661 WeakPolarHBondContact O-CB 3.28Å; F657-N661 PolarHBondContact O-N 3.46Å; F657-N661 PolarHBondContact O-ND2 3.11Å; F657-V669 WeakPolarHBondContact CE1-O 3.39Å; F657-L671 HydrophobicContact CB-CB 3.78Å; F657-L671 HydrophobicContact CB-CD2 3.44Å; F657-L671 VanDerWaalsContact CB-CD2 3.44Å; F657-L671 HydrophobicContact CB-CG 4.24Å; F657-L671 HydrophobicContact CD1-CB 3.61Å; F657-L671 HydrophobicContact CD1-CD2 4.4Å; F657-L671 HydrophobicContact CD2-CB 4.45Å; F657-L671 HydrophobicContact CD2-CD2 3.79Å; F657-L671 HydrophobicContact CE1-CB 4.19Å; F657-L671 HydrophobicContact CG-CB 3.74Å; F657-L671 HydrophobicContact CG-CD2 3.67Å; F657-L671 HydrophobicContact CG-CG 4.24Å; F657-F683 HydrophobicContact CD2-CD1 4.07Å; F657-F683 HydrophobicContact CD2-CE1 4.15Å; F657-F683 HydrophobicContact CE2-CD1 4.04Å; F657-F683 HydrophobicContact CE2-CE1 4.32Å; F657-F683 HydrophobicContact CE2-CG 4.48Å; F657-M685 HydrophobicContact CE1-SD 4.46Å; F657-M685 HydrophobicContact CZ-CG 4.25Å; F657-M685 HydrophobicContact CZ-SD 3.8Å; F657-F749 AromaticContact CD1-CD2 3.97Å; F657-F749 HydrophobicContact CD1-CD2 3.97Å; F657-F749 HydrophobicContact CD1-CE2 4.13Å; F657-F749 AromaticContact CE1-CD2 3.51Å; F657-F749 HydrophobicContact CE1-CD2 3.51Å; F657-F749 AromaticContact CE1-CE2 3.62Å; F657-F749 HydrophobicContact CE1-CE2 3.62Å; F657-F749 HydrophobicContact CE2-CD2 4.24Å; F657-F749 AromaticContact CZ-CD2 3.67Å; F657-F749 HydrophobicContact CZ-CD2 3.67Å; F657-F749 HydrophobicContact CZ-CE2 4.17Å
658	E	90.4	Very high	91.2	Very high	77 Å²	77	46.2 Å²	46.2	36%	0.36	25%	0.246	S	C	.	.	H	α-helix	trans	-66.3	-37.1	175.8	-69.1	170.8	169.5	0	0	112.1	K654 R655 I656 S662	K654-E658 WeakPolarHBondContact CE-OE1 3.48Å; K654-E658 IonicContact NZ-OE1 3.84Å; K654-E658 WeakPolarHBondContact O-CG 3.33Å; K654-E658 PolarHBondContact O-N 2.97Å; R655-E658 WeakPolarHBondContact O-CB 3.47Å; R655-E658 PolarHBondContact O-N 2.73Å; R655-E658 VanDerWaalsContact O-N 3.07Å; I656-E658 VanDerWaalsContact C-N 3.33Å; I656-E658 PolarHBondContact O-N 2.78Å; E658-S662 WeakPolarHBondContact O-CB 3.33Å; E658-S662 PolarHBondContact O-N 3.1Å; E658-S662 VanDerWaalsContact O-N 3.16Å; E658-S662 PolarHBondContact O-OG 3.46Å
659	V	93.1	Very high	91.6	Very high	43 Å²	43	40 Å²	40	26%	0.261	21%	0.212	S	C	.	.	H	α-helix	trans	-65.1	-49.1	171.6	173.1	0	0	0	0	111	R655 I656 N661 S662 A663 F720 N724 I726	R655-V659 PolarHBondContact O-N 2.91Å; I656-V659 PolarHBondContact O-N 2.94Å; V659-N661 PolarHBondContact O-N 3.35Å; V659-S662 WeakPolarHBondContact O-CB 3.44Å; V659-S662 PolarHBondContact O-N 2.95Å; V659-A663 PolarHBondContact O-N 3.32Å; V659-F720 HydrophobicContact CG1-CE1 4.22Å; V659-F720 HydrophobicContact CG1-CZ 4.13Å; V659-N724 HydrophobicContact CG1-CB 4Å; V659-I726 HydrophobicContact CG1-CD1 4.36Å
660	I	92.3	Very high	91.9	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-58.8	-47.4	178.5	-67.6	167.9	0	0	0	111.3	I656 F657 S662 A663 R664 L668 F720 L721 F749	I656-I660 HydrophobicContact CG2-CD1 3.83Å; I656-I660 VanDerWaalsContact O-CG1 3.25Å; I656-I660 WeakPolarHBondContact O-CG1 3.41Å; I656-I660 PolarHBondContact O-N 2.89Å; F657-I660 PolarHBondContact O-N 3.36Å; I660-S662 VanDerWaalsContact C-N 3.25Å; I660-S662 PolarHBondContact O-N 3.14Å; I660-A663 PolarHBondContact O-N 3.39Å; I660-R664 PolarHBondContact O-N 3.03Å; I660-L668 HydrophobicContact CD1-CB 4.36Å; I660-L668 HydrophobicContact CD1-CD1 4.01Å; I660-L668 HydrophobicContact CG1-CD1 3.77Å; I660-L668 HydrophobicContact CG2-CB 3.72Å; I660-L668 HydrophobicContact CG2-CD1 4.17Å; I660-F720 HydrophobicContact CG1-CE1 4.06Å; I660-L721 HydrophobicContact CD1-CD2 4.3Å; I660-L721 HydrophobicContact CG1-CD2 4.42Å; I660-F749 HydrophobicContact CD1-CD1 4.14Å; I660-F749 HydrophobicContact CD1-CD2 4.03Å; I660-F749 HydrophobicContact CD1-CE1 3.81Å; I660-F749 HydrophobicContact CD1-CE2 3.68Å; I660-F749 HydrophobicContact CD1-CG 4.27Å; I660-F749 HydrophobicContact CD1-CZ 3.57Å
661	N	89.4	Confident	92.2	Very high	21 Å²	21	38.3 Å²	38.3	11%	0.112	20%	0.199	C	C	.	.	H	α-helix	trans	-62	-32.1	179.3	-80.6	-13.4	0	0	0	113.2	F657 V659 A663 R664 L671	F657-N661 WeakPolarHBondContact O-CB 3.28Å; F657-N661 PolarHBondContact O-N 3.46Å; F657-N661 PolarHBondContact O-ND2 3.11Å; V659-N661 PolarHBondContact O-N 3.35Å; N661-A663 VanDerWaalsContact C-N 3.34Å; N661-R664 WeakPolarHBondContact O-CG 3.28Å; N661-R664 PolarHBondContact O-N 3.42Å; N661-L671 PolarHBondContact ND2-O 3.29Å; N661-L671 PolarHBondContact OD1-N 3.31Å; N661-L671 PolarHBondContact OD1-O 3.31Å
662	S	90.1	Very high	92.4	Very high	108 Å²	108	37.7 Å²	37.7	76%	0.755	19%	0.192	S	C	*	.	H	α-helix	trans	-69.3	-34	-179.8	-61.7	0	0	0	0	111.7	E658 V659 I660	E658-S662 WeakPolarHBondContact O-CB 3.33Å; E658-S662 PolarHBondContact O-N 3.1Å; E658-S662 VanDerWaalsContact O-N 3.16Å; E658-S662 PolarHBondContact O-OG 3.46Å; V659-S662 WeakPolarHBondContact O-CB 3.44Å; V659-S662 PolarHBondContact O-N 2.95Å; I660-S662 VanDerWaalsContact C-N 3.25Å; I660-S662 PolarHBondContact O-N 3.14Å
663	A	90.3	Very high	92.6	Very high	55 Å²	55	37 Å²	37	46%	0.455	19%	0.188	S	C	.	.	H	α-helix	trans	-89.7	-21.2	172.8	0	0	0	0	0	114.2	V659 I660 N661 H665 F720	V659-A663 PolarHBondContact O-N 3.32Å; I660-A663 PolarHBondContact O-N 3.39Å; N661-A663 VanDerWaalsContact C-N 3.34Å; A663-H665 VanDerWaalsContact C-N 3.31Å; A663-H665 PolarHBondContact O-N 2.92Å; A663-F720 HydrophobicContact CB-CD2 4.3Å; A663-F720 HydrophobicContact CB-CE2 3.25Å; A663-F720 HydrophobicContact CB-CZ 3.42Å; A663-F720 VanDerWaalsContact CB-CZ 3.42Å
664	R	90.1	Very high	92.7	Very high	201 Å²	201	36.7 Å²	36.7	76%	0.758	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.9	40.9	-172.9	-58.1	-175.3	173.9	-163.1	-2.8	113.5	I660 N661 N670	I660-R664 PolarHBondContact O-N 3.03Å; N661-R664 WeakPolarHBondContact O-CG 3.28Å; N661-R664 PolarHBondContact O-N 3.42Å; R664-N670 WeakPolarHBondContact CA-OD1 3.34Å
665	H	95	Very high	92.9	Very high	18 Å²	18	35.5 Å²	35.5	8%	0.083	18%	0.181	C	C	.	.			trans	-58.2	129	-172.7	-165.3	-101	0	0	0	111.6	A663 F667 L668 N670 L716 F720 L873	A663-H665 VanDerWaalsContact C-N 3.31Å; A663-H665 PolarHBondContact O-N 2.92Å; H665-F667 VanDerWaalsContact C-N 3.31Å; H665-F667 AromaticContact CE1-CD2 3.93Å; H665-F667 PolarHBondContact O-N 2.91Å; H665-L668 HydrophobicContact CB-CB 4.42Å; H665-L668 HydrophobicContact CB-CD1 4.05Å; H665-L668 HydrophobicContact CB-CG 4.27Å; H665-L668 PolarHBondContact O-N 2.86Å; H665-N670 PolarHBondContact O-ND2 3.18Å; H665-L716 PolarHBondContact CE1-O 3.12Å; H665-L716 VanDerWaalsContact CE1-O 3.31Å; H665-F720 HydrophobicContact CB-CD1 4.49Å; H665-F720 HydrophobicContact CB-CG 4.39Å; H665-L873 WeakPolarHBondContact NE2-CD1 3.38Å
666	P	95.7	Very high	93	Very high	30 Å²	30	32.4 Å²	32.4	20%	0.195	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-24	-168.8	27.5	-35.7	0	0	0	113.8	R745 L873 K875	P666-R745 WeakPolarHBondContact O-CD 3.35Å; P666-R745 WeakPolarHBondContact O-CG 3.41Å; P666-R745 PolarHBondContact O-NE 3.36Å; P666-L873 HydrophobicContact CG-CD1 3.87Å; P666-K875 HydrophobicContact CB-CD 4.23Å; P666-K875 HydrophobicContact CB-CG 4.23Å
667	F	97.8	Very high	92.9	Very high	1 Å²	1	34.3 Å²	34.3	0%	0.004	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.5	15.7	-177.8	-50.2	-49.2	0	0	0	113.7	H665 C713 L716 Y743 V744 R745 I746 L872 L873 K875	H665-F667 VanDerWaalsContact C-N 3.31Å; H665-F667 AromaticContact CE1-CD2 3.93Å; H665-F667 PolarHBondContact O-N 2.91Å; F667-C713 HydrophobicContact CB-CB 4.47Å; F667-C713 WeakPolarHBondContact CB-O 3.41Å; F667-C713 HydrophobicContact CD1-CB 3.91Å; F667-C713 HydrophobicContact CD2-CB 4.43Å; F667-C713 HydrophobicContact CE1-CB 4.3Å; F667-C713 HydrophobicContact CG-CB 4Å; F667-L716 HydrophobicContact CD2-CB 3.87Å; F667-L716 HydrophobicContact CD2-CD1 4.07Å; F667-L716 HydrophobicContact CE2-CB 4.32Å; F667-L716 HydrophobicContact CE2-CD1 3.64Å; F667-Y743 AromaticContact CE1-CD1 3.67Å; F667-Y743 HydrophobicContact CE1-CD1 3.67Å; F667-Y743 HydrophobicContact CE1-CE1 4.41Å; F667-Y743 HydrophobicContact CE1-CG 4.37Å; F667-Y743 HydrophobicContact CZ-CD1 4.26Å; F667-V744 WeakPolarHBondContact CD1-O 3.35Å; F667-R745 CarbonylContact O-C 3.55Å; F667-R745 VanDerWaalsContact O-CA 3.27Å; F667-R745 WeakPolarHBondContact O-CA 3.49Å; F667-I746 PolarHBondContact O-N 2.69Å; F667-L872 HydrophobicContact CE2-CG 4.07Å; F667-L872 HydrophobicContact CZ-CD1 4.04Å; F667-L872 HydrophobicContact CZ-CG 3.93Å; F667-L872 WeakPolarHBondContact CZ-O 3.27Å; F667-L873 HydrophobicContact CE2-CD1 4.36Å; F667-K875 HydrophobicContact CE1-CG 4.49Å
668	L	97.3	Very high	92.7	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	21%	0.212	C	C	.	.	B	Isolated β-bridge	trans	-123.1	143.6	171.1	-59.4	177.2	0	0	0	108.8	I660 H665 N670 F720 L721 I746 F749	I660-L668 HydrophobicContact CD1-CB 4.36Å; I660-L668 HydrophobicContact CD1-CD1 4.01Å; I660-L668 HydrophobicContact CG1-CD1 3.77Å; I660-L668 HydrophobicContact CG2-CB 3.72Å; I660-L668 HydrophobicContact CG2-CD1 4.17Å; H665-L668 HydrophobicContact CB-CB 4.42Å; H665-L668 HydrophobicContact CB-CD1 4.05Å; H665-L668 HydrophobicContact CB-CG 4.27Å; H665-L668 PolarHBondContact O-N 2.86Å; L668-N670 PolarHBondContact O-N 3.14Å; L668-N670 PolarHBondContact O-ND2 2.8Å; L668-F720 HydrophobicContact CD1-CD1 3.48Å; L668-F720 VanDerWaalsContact CD1-CD1 3.48Å; L668-F720 HydrophobicContact CD1-CE1 4.11Å; L668-F720 HydrophobicContact CD1-CG 4.29Å; L668-L721 HydrophobicContact CD1-CD2 4.16Å; L668-L721 HydrophobicContact CD1-CG 4.31Å; L668-L721 HydrophobicContact CD2-CD1 4.48Å; L668-I746 HydrophobicContact CD2-CB 3.74Å; L668-I746 HydrophobicContact CD2-CD1 3.9Å; L668-I746 HydrophobicContact CD2-CG1 3.98Å; L668-F749 HydrophobicContact CB-CZ 4.15Å; L668-F749 HydrophobicContact CD2-CE1 4.11Å; L668-F749 HydrophobicContact CD2-CZ 4.09Å
669	V	94.9	Very high	92.7	Very high	3 Å²	3	37.4 Å²	37.4	2%	0.018	21%	0.21	C	C	.	.	P	Polyproline II helix	trans	-69.3	121	174.9	171.4	0	0	0	0	109.6	F657 M685 L737 R745 I746 A747	F657-V669 WeakPolarHBondContact CE1-O 3.39Å; V669-M685 HydrophobicContact CG1-CB 3.82Å; V669-M685 HydrophobicContact CG1-CG 4.42Å; V669-M685 HydrophobicContact CG1-SD 4.35Å; V669-L737 HydrophobicContact CG2-CD1 4.44Å; V669-R745 HydrophobicContact CG2-CB 4.01Å; V669-I746 PolarHBondContact N-O 2.97Å; V669-A747 HydrophobicContact CB-CB 4.33Å; V669-A747 HydrophobicContact CG2-CB 3.69Å
670	N	91.4	Very high	92.7	Very high	29 Å²	29	35.7 Å²	35.7	16%	0.155	20%	0.199	C	C	.	.	P	Polyproline II helix	trans	-86.1	146.9	-179.8	-73.3	-111.2	0	0	0	110.8	R664 H665 L668 A686	R664-N670 WeakPolarHBondContact CA-OD1 3.34Å; H665-N670 PolarHBondContact O-ND2 3.18Å; L668-N670 PolarHBondContact O-N 3.14Å; L668-N670 PolarHBondContact O-ND2 2.8Å; N670-A686 PolarHBondContact O-N 3.48Å
671	L	93.4	Very high	92.7	Very high	1 Å²	1	35.7 Å²	35.7	1%	0.005	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	123.5	-178	179.9	66.2	0	0	0	110.4	F657 N661 G673 F683 M685 F927	F657-L671 HydrophobicContact CB-CB 3.78Å; F657-L671 HydrophobicContact CB-CD2 3.44Å; F657-L671 VanDerWaalsContact CB-CD2 3.44Å; F657-L671 HydrophobicContact CB-CG 4.24Å; F657-L671 HydrophobicContact CD1-CB 3.61Å; F657-L671 HydrophobicContact CD1-CD2 4.4Å; F657-L671 HydrophobicContact CD2-CB 4.45Å; F657-L671 HydrophobicContact CD2-CD2 3.79Å; F657-L671 HydrophobicContact CE1-CB 4.19Å; F657-L671 HydrophobicContact CG-CB 3.74Å; F657-L671 HydrophobicContact CG-CD2 3.67Å; F657-L671 HydrophobicContact CG-CG 4.24Å; N661-L671 PolarHBondContact ND2-O 3.29Å; N661-L671 PolarHBondContact OD1-N 3.31Å; N661-L671 PolarHBondContact OD1-O 3.31Å; L671-G673 WeakPolarHBondContact CD1-O 3.49Å; L671-F683 HydrophobicContact CD1-CB 3.74Å; L671-F683 HydrophobicContact CD1-CD1 4.03Å; L671-F683 HydrophobicContact CD1-CG 4.4Å; L671-F683 HydrophobicContact CD2-CD1 3.91Å; L671-M685 HydrophobicContact CD1-CG 4.06Å; L671-F927 HydrophobicContact CD2-CE1 3.78Å; L671-F927 HydrophobicContact CD2-CZ 3.54Å; L671-F927 HydrophobicContact CG-CE1 4.48Å; L671-F927 HydrophobicContact CG-CZ 3.88Å
672	H	91.9	Very high	92.9	Very high	46 Å²	46	34.7 Å²	34.7	21%	0.213	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	-14.2	-179.8	-76.6	-69.9	0	0	0	114	K629 F631 V684 L929 I930	K629-H672 PolarHBondContact NZ-NE2 3.31Å; F631-H672 HydrophobicContact CD1-CB 4.15Å; F631-H672 AromaticContact CD1-CD2 3.76Å; F631-H672 HydrophobicContact CE1-CB 3.74Å; F631-H672 AromaticContact CE1-CD2 3.45Å; F631-H672 VanDerWaalsContact CE1-CD2 3.45Å; F631-H672 WeakPolarHBondContact CE1-CD2 3.46Å; F631-H672 AromaticContact CE1-CG 3.61Å; H672-V684 WeakPolarHBondContact CA-O 3.48Å; H672-V684 WeakPolarHBondContact CB-O 3.21Å; H672-V684 PolarHBondContact N-O 3.07Å; H672-L929 CarbonylContact O-C 3.51Å; H672-L929 WeakPolarHBondContact O-CA 3.38Å; H672-L929 WeakPolarHBondContact O-CB 3.28Å; H672-L929 PolarHBondContact O-N 3.14Å; H672-I930 HydrophobicContact CB-CD1 4.12Å; H672-I930 HydrophobicContact CB-CG1 3.85Å
673	G	92.4	Very high	93.1	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	171.4	168.9	173.3	0	0	0	0	0	112.7	L671 V684 F927	L671-G673 WeakPolarHBondContact CD1-O 3.49Å; G673-V684 PolarHBondContact N-O 2.87Å; G673-V684 WeakPolarHBondContact O-CB 3.31Å; G673-V684 PolarHBondContact O-N 2.83Å; G673-F927 CarbonylContact C-O 3.47Å; G673-F927 VanDerWaalsContact CA-O 3.24Å; G673-F927 WeakPolarHBondContact CA-O 3.27Å
674	C	94.3	Very high	93.4	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	141.6	171.9	-81.9	0	0	0	0	109.4	C682 F683 F925 D926 F927	C674-C682 WeakPolarHBondContact CA-O 3.4Å; C674-F683 WeakPolarHBondContact SG-CD1 3.43Å; C674-F925 HydrophobicContact CB-CD1 3.8Å; C674-F925 HydrophobicContact CB-CE1 3.51Å; C674-F925 HydrophobicContact CB-CG 4.49Å; C674-F925 HydrophobicContact CB-CZ 3.99Å; C674-F925 WeakPolarHBondContact CB-O 3.35Å; C674-F925 VanDerWaalsContact SG-CZ 3.59Å; C674-D926 CarbonylContact O-C 3.45Å; C674-D926 WeakPolarHBondContact O-CA 3.5Å; C674-F927 HydrophobicContact CB-CD1 3.65Å; C674-F927 HydrophobicContact CB-CE1 3.77Å; C674-F927 PolarHBondContact N-O 2.84Å; C674-F927 PolarHBondContact O-N 3.14Å; C674-F927 VanDerWaalsContact SG-CE1 3.59Å
675	F	94.6	Very high	93.6	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	165.5	166.4	68.4	-91.7	0	0	0	111.1	L600 M602 F605 T677 C682 V684 F925 D926	L600-F675 HydrophobicContact CB-CB 4.1Å; L600-F675 HydrophobicContact CB-CD1 4Å; L600-F675 HydrophobicContact CB-CG 4.32Å; L600-F675 WeakPolarHBondContact O-CB 3.42Å; M602-F675 HydrophobicContact CB-CE2 3.98Å; M602-F675 HydrophobicContact CB-CZ 4.39Å; M602-F675 HydrophobicContact SD-CE2 3.96Å; M602-F675 HydrophobicContact SD-CZ 3.72Å; F605-F675 HydrophobicContact CD2-CE1 4.08Å; F605-F675 HydrophobicContact CD2-CZ 4.33Å; F605-F675 HydrophobicContact CE2-CD1 4.34Å; F605-F675 AromaticContact CE2-CE1 3.7Å; F605-F675 HydrophobicContact CE2-CE1 3.7Å; F605-F675 HydrophobicContact CE2-CZ 4.38Å; F675-T677 HydrophobicContact CE2-CG2 4.42Å; F675-C682 HydrophobicContact CD1-CB 4Å; F675-C682 HydrophobicContact CD2-CB 4Å; F675-C682 HydrophobicContact CE1-CB 3.72Å; F675-C682 HydrophobicContact CE2-CB 3.7Å; F675-C682 HydrophobicContact CG-CB 4.14Å; F675-C682 HydrophobicContact CZ-CB 3.56Å; F675-C682 PolarHBondContact N-O 3.21Å; F675-C682 WeakPolarHBondContact O-CB 3.36Å; F675-C682 PolarHBondContact O-N 3.32Å; F675-V684 HydrophobicContact CD1-CG2 3.75Å; F675-V684 HydrophobicContact CE1-CG2 3.56Å; F675-F925 WeakPolarHBondContact O-CE1 3.38Å; F675-D926 WeakPolarHBondContact CA-OD1 3.11Å
676	Q	93.3	Very high	93.6	Very high	48 Å²	48	18 Å²	18	22%	0.224	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	160.6	176.4	69	-165.8	-82.3	0	0	113.3	H680 V681 F922 D926	Q676-H680 WeakPolarHBondContact CA-O 3.29Å; Q676-V681 HydrophobicContact CB-CG1 4.31Å; Q676-F922 PolarHBondContact NE2-O 2.86Å; Q676-D926 WeakPolarHBondContact CG-OD1 3.48Å; Q676-D926 PolarHBondContact N-OD1 3.05Å; Q676-D926 VanDerWaalsContact N-OD1 3.14Å; Q676-D926 PolarHBondContact N-OD2 3.16Å; Q676-D926 PolarHBondContact NE2-OD1 3.42Å
677	T	91.1	Very high	93.5	Very high	39 Å²	39	17.9 Å²	17.9	24%	0.239	10%	0.102	C	C	.	.			trans	-117.7	-175.1	166.2	75	0	0	0	0	108.8	M602 K638 F675 E679 H680 L905	M602-T677 HydrophobicContact CB-CG2 4.49Å; K638-T677 PolarHBondContact NZ-O 3.3Å; F675-T677 HydrophobicContact CE2-CG2 4.42Å; T677-E679 PolarHBondContact O-N 2.9Å; T677-E679 PolarHBondContact OG1-N 2.78Å; T677-H680 PolarHBondContact N-O 3.41Å; T677-H680 WeakPolarHBondContact OG1-CB 3.46Å; T677-H680 PolarHBondContact OG1-N 3.22Å; T677-H680 PolarHBondContact OG1-ND1 2.92Å; T677-L905 HydrophobicContact CG2-CD1 4.23Å
678	A	88.8	Confident	93.4	Very high	75 Å²	75	18 Å²	18	62%	0.62	10%	0.103	S	C	*	.	S	Bend	trans	-59.4	-31.8	171.1	0	0	0	0	0	112.7	Q919	A678-Q919 PolarHBondContact O-NE2 3.11Å
679	E	89.8	Confident	93.3	Very high	68 Å²	68	18.9 Å²	18.9	32%	0.318	11%	0.109	S	C	.	.	S	Bend	trans	-113.8	-20.8	-172.7	-66.7	-176.2	176.5	0	0	114.4	K637 K638 T677 L907 P908	K637-E679 CarbonylContact C-O 3.49Å; K637-E679 WeakPolarHBondContact CA-O 3.37Å; K638-E679 PolarHBondContact N-O 3.14Å; T677-E679 PolarHBondContact O-N 2.9Å; T677-E679 PolarHBondContact OG1-N 2.78Å; E679-L907 WeakPolarHBondContact OE2-CD2 3.43Å; E679-P908 WeakPolarHBondContact OE2-CD 3.47Å
680	H	92.2	Very high	93.2	Very high	6 Å²	6	18.8 Å²	18.8	3%	0.028	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	157.3	-169.2	-55.6	87	0	0	0	113	L636 Q676 T677 T906	L636-H680 CarbonylContact O-C 3.58Å; L636-H680 WeakPolarHBondContact O-CA 3.41Å; L636-H680 WeakPolarHBondContact O-CB 3.33Å; Q676-H680 WeakPolarHBondContact CA-O 3.29Å; T677-H680 PolarHBondContact N-O 3.41Å; T677-H680 WeakPolarHBondContact OG1-CB 3.46Å; T677-H680 PolarHBondContact OG1-N 3.22Å; T677-H680 PolarHBondContact OG1-ND1 2.92Å; H680-T906 PolarHBondContact NE2-O 3.18Å
681	V	93.2	Very high	93.2	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	135.6	161.9	-70.8	0	0	0	0	108.3	A635 L636 K638 L650 Q676 F922 F925	A635-V681 WeakPolarHBondContact CA-O 3.33Å; L636-V681 HydrophobicContact CB-CG2 3.95Å; L636-V681 HydrophobicContact CD1-CG2 4.4Å; L636-V681 PolarHBondContact N-O 3.46Å; L636-V681 PolarHBondContact O-N 3.22Å; K638-V681 HydrophobicContact CG-CG1 4Å; L650-V681 HydrophobicContact CD1-CG2 3.94Å; L650-V681 HydrophobicContact CD2-CB 4.5Å; L650-V681 HydrophobicContact CD2-CG1 4.37Å; L650-V681 HydrophobicContact CD2-CG2 3.89Å; Q676-V681 HydrophobicContact CB-CG1 4.31Å; V681-F922 HydrophobicContact CG1-CB 4.49Å; V681-F922 HydrophobicContact CG1-CD1 3.72Å; V681-F922 HydrophobicContact CG1-CE1 4.22Å; V681-F922 HydrophobicContact CG1-CG 4.19Å; V681-F925 HydrophobicContact CB-CD1 4.13Å; V681-F925 HydrophobicContact CB-CE1 3.73Å; V681-F925 HydrophobicContact CB-CE2 4.19Å; V681-F925 HydrophobicContact CB-CZ 3.77Å; V681-F925 HydrophobicContact CG1-CD1 4.13Å; V681-F925 HydrophobicContact CG1-CD2 4.46Å; V681-F925 HydrophobicContact CG1-CE1 4.26Å; V681-F925 HydrophobicContact CG1-CG 4.25Å; V681-F925 HydrophobicContact CG1-CZ 4.48Å; V681-F925 HydrophobicContact CG2-CZ 4.48Å
682	C	94.6	Very high	93.1	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	116	-168.6	-67.7	0	0	0	0	111.2	I633 K634 C674 F675	I633-C682 HydrophobicContact CG2-CB 3.88Å; K634-C682 WeakPolarHBondContact O-CA 3.36Å; C674-C682 WeakPolarHBondContact CA-O 3.4Å; F675-C682 HydrophobicContact CD1-CB 4Å; F675-C682 HydrophobicContact CD2-CB 4Å; F675-C682 HydrophobicContact CE1-CB 3.72Å; F675-C682 HydrophobicContact CE2-CB 3.7Å; F675-C682 HydrophobicContact CG-CB 4.14Å; F675-C682 HydrophobicContact CZ-CB 3.56Å; F675-C682 PolarHBondContact N-O 3.21Å; F675-C682 WeakPolarHBondContact O-CB 3.36Å; F675-C682 PolarHBondContact O-N 3.32Å
683	F	94.2	Very high	93	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	122	168.1	-62.9	-88.1	0	0	0	109.7	I633 K634 L636 L650 E653 K654 F657 L671 C674 M685 F925	I633-F683 CarbonylContact C-O 3.13Å; I633-F683 VanDerWaalsContact CA-O 3.28Å; I633-F683 WeakPolarHBondContact CA-O 3.29Å; K634-F683 HydrophobicContact CB-CB 4.29Å; K634-F683 HydrophobicContact CD-CD2 4.27Å; K634-F683 PolarHBondContact N-O 3.24Å; K634-F683 PolarHBondContact O-N 2.93Å; L636-F683 HydrophobicContact CD1-CD2 3.75Å; L636-F683 HydrophobicContact CD1-CE2 3.75Å; L650-F683 HydrophobicContact CD1-CE2 3.53Å; L650-F683 HydrophobicContact CD1-CZ 3.66Å; L650-F683 HydrophobicContact CG-CZ 4.41Å; E653-F683 HydrophobicContact CB-CZ 4.35Å; E653-F683 HydrophobicContact CG-CE1 4.43Å; E653-F683 HydrophobicContact CG-CZ 4.1Å; K654-F683 HydrophobicContact CB-CE1 4.16Å; F657-F683 HydrophobicContact CD2-CD1 4.07Å; F657-F683 HydrophobicContact CD2-CE1 4.15Å; F657-F683 HydrophobicContact CE2-CD1 4.04Å; F657-F683 HydrophobicContact CE2-CE1 4.32Å; F657-F683 HydrophobicContact CE2-CG 4.48Å; L671-F683 HydrophobicContact CD1-CB 3.74Å; L671-F683 HydrophobicContact CD1-CD1 4.03Å; L671-F683 HydrophobicContact CD1-CG 4.4Å; L671-F683 HydrophobicContact CD2-CD1 3.91Å; C674-F683 WeakPolarHBondContact SG-CD1 3.43Å; F683-M685 HydrophobicContact CB-CG 4.26Å; F683-F925 HydrophobicContact CD1-CZ 4.13Å; F683-F925 HydrophobicContact CD2-CZ 4.21Å; F683-F925 AromaticContact CE1-CE2 3.92Å; F683-F925 HydrophobicContact CE1-CE2 3.92Å; F683-F925 AromaticContact CE1-CZ 3.88Å; F683-F925 HydrophobicContact CE1-CZ 3.88Å; F683-F925 HydrophobicContact CE2-CE2 4.21Å; F683-F925 AromaticContact CE2-CZ 3.99Å; F683-F925 HydrophobicContact CE2-CZ 3.99Å; F683-F925 HydrophobicContact CG-CZ 4.29Å; F683-F925 AromaticContact CZ-CE2 3.7Å; F683-F925 HydrophobicContact CZ-CE2 3.7Å; F683-F925 AromaticContact CZ-CZ 3.82Å; F683-F925 HydrophobicContact CZ-CZ 3.82Å
684	V	95.6	Very high	92.7	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	92.7	179.4	-173.7	0	0	0	0	109.5	F605 F631 I633 H672 G673 F675 I930	F605-V684 HydrophobicContact CE1-CG1 3.92Å; F605-V684 HydrophobicContact CE2-CG2 4.28Å; F605-V684 HydrophobicContact CZ-CG1 3.79Å; F605-V684 HydrophobicContact CZ-CG2 3.95Å; F631-V684 HydrophobicContact CB-CG1 3.81Å; F631-V684 HydrophobicContact CD1-CG1 3.82Å; F631-V684 HydrophobicContact CG-CG1 3.85Å; I633-V684 HydrophobicContact CG1-CG1 4.39Å; I633-V684 HydrophobicContact CG1-CG2 4.34Å; H672-V684 WeakPolarHBondContact CA-O 3.48Å; H672-V684 WeakPolarHBondContact CB-O 3.21Å; H672-V684 PolarHBondContact N-O 3.07Å; G673-V684 PolarHBondContact N-O 2.87Å; G673-V684 WeakPolarHBondContact O-CB 3.31Å; G673-V684 PolarHBondContact O-N 2.83Å; F675-V684 HydrophobicContact CD1-CG2 3.75Å; F675-V684 HydrophobicContact CE1-CG2 3.56Å; V684-I930 HydrophobicContact CG1-CD1 3.95Å
685	M	95.1	Very high	92.1	Very high	16 Å²	16	20.3 Å²	20.3	8%	0.079	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	160.9	-171.9	-52.9	177.2	-59	0	0	112.5	V619 A632 K634 F657 V669 L671 F683 Y687	V619-M685 HydrophobicContact CG1-CE 4.39Å; A632-M685 HydrophobicContact CB-CE 4.24Å; A632-M685 PolarHBondContact N-O 3.37Å; A632-M685 WeakPolarHBondContact O-CA 3.5Å; A632-M685 WeakPolarHBondContact O-CB 3.04Å; A632-M685 PolarHBondContact O-N 2.72Å; K634-M685 HydrophobicContact CB-CE 3.73Å; K634-M685 HydrophobicContact CB-SD 4.27Å; F657-M685 HydrophobicContact CE1-SD 4.46Å; F657-M685 HydrophobicContact CZ-CG 4.25Å; F657-M685 HydrophobicContact CZ-SD 3.8Å; V669-M685 HydrophobicContact CG1-CB 3.82Å; V669-M685 HydrophobicContact CG1-CG 4.42Å; V669-M685 HydrophobicContact CG1-SD 4.35Å; L671-M685 HydrophobicContact CD1-CG 4.06Å; F683-M685 HydrophobicContact CB-CG 4.26Å; M685-Y687 PolarHBondContact O-N 2.67Å
686	A	93.9	Very high	91.6	Very high	16 Å²	16	21.3 Å²	21.3	13%	0.132	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.9	129.7	169.3	0	0	0	0	0	111.3	N670	N670-A686 PolarHBondContact O-N 3.48Å
687	Y	94.9	Very high	90.9	Very high	27 Å²	27	19.3 Å²	19.3	11%	0.106	11%	0.11	C	C	.	.	P	Polyproline II helix	trans	-75	136.6	176.2	179.7	-135.6	0	0	0	111.5	L611 L621 M630 M685 P689 D890 F894	L611-Y687 HydrophobicContact CD1-CD2 3.9Å; L611-Y687 HydrophobicContact CD1-CE2 3.67Å; L611-Y687 HydrophobicContact CD2-CE2 4.19Å; L621-Y687 HydrophobicContact CD1-CD1 3.76Å; L621-Y687 HydrophobicContact CD1-CD2 3.64Å; L621-Y687 HydrophobicContact CD1-CE1 3.67Å; L621-Y687 HydrophobicContact CD1-CE2 3.57Å; L621-Y687 HydrophobicContact CD1-CG 3.75Å; L621-Y687 HydrophobicContact CD2-CE1 4.35Å; L621-Y687 HydrophobicContact CD2-CE2 4.48Å; M630-Y687 HydrophobicContact CB-CD1 3.86Å; M685-Y687 PolarHBondContact O-N 2.67Å; Y687-P689 HydrophobicContact CD1-CB 4.23Å; Y687-P689 HydrophobicContact CE1-CB 3.64Å; Y687-P689 HydrophobicContact CE1-CG 4.49Å; Y687-D890 PolarHBondContact OH-O 3.08Å; Y687-D890 VanDerWaalsContact OH-O 3.13Å; Y687-F894 AromaticContact CE2-CE2 3.8Å; Y687-F894 HydrophobicContact CE2-CE2 3.8Å; Y687-F894 AromaticContact CE2-CZ 3.67Å; Y687-F894 HydrophobicContact CE2-CZ 3.67Å; Y687-F894 WeakPolarHBondContact OH-CE2 3.5Å
688	S	95.3	Very high	89.8	Confident	3 Å²	3	20.6 Å²	20.6	2%	0.021	11%	0.113	C	C	.	.			trans	-119.7	89.6	178.6	-58.7	0	0	0	0	108.6	G690 G691 M738 F894	S688-G690 PolarHBondContact O-N 3.42Å; S688-G691 PolarHBondContact O-N 3.14Å; S688-M738 CarbonylContact C-O 3.54Å; S688-M738 WeakPolarHBondContact CB-O 3.47Å; S688-F894 WeakPolarHBondContact O-CZ 3.31Å
689	P	94.3	Very high	88.9	Confident	20 Å²	20	22.9 Å²	22.9	13%	0.13	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-5.4	-167.3	28.4	-36.8	0	0	0	115.1	Y687 G691 A740 I885 N893	Y687-P689 HydrophobicContact CD1-CB 4.23Å; Y687-P689 HydrophobicContact CE1-CB 3.64Å; Y687-P689 HydrophobicContact CE1-CG 4.49Å; P689-G691 VanDerWaalsContact C-N 3.25Å; P689-G691 PolarHBondContact O-N 3.49Å; P689-A740 HydrophobicContact CG-CB 3.79Å; P689-I885 HydrophobicContact CB-CD1 3.77Å; P689-I885 HydrophobicContact CB-CG1 4.34Å; P689-I885 HydrophobicContact CG-CD1 3.65Å; P689-N893 PolarHBondContact O-ND2 3Å
690	G	93.1	Very high	87.9	Confident	0 Å²	0	22.5 Å²	22.5	0%	0	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77	-7.2	173.8	0	0	0	0	0	113.9	S688 H696 M738 N893	S688-G690 PolarHBondContact O-N 3.42Å; G690-H696 PolarHBondContact O-NE2 3.2Å; G690-M738 WeakPolarHBondContact CA-O 3.28Å; G690-M738 PolarHBondContact N-O 3.45Å; G690-N893 WeakPolarHBondContact O-CB 3.31Å
691	G	91.8	Very high	87.4	Confident	0 Å²	0	26.7 Å²	26.7	0%	0	15%	0.15	C	C	.	.			trans	73.8	-173.3	-177.7	0	0	0	0	0	113.3	S688 P689 L737 M738	S688-G691 PolarHBondContact O-N 3.14Å; P689-G691 VanDerWaalsContact C-N 3.25Å; P689-G691 PolarHBondContact O-N 3.49Å; G691-L737 CarbonylContact O-C 3.58Å; G691-L737 WeakPolarHBondContact O-CA 3.2Å; G691-M738 PolarHBondContact O-N 3.25Å
692	D	90.3	Very high	87.1	Confident	30 Å²	30	27.2 Å²	27.2	16%	0.16	15%	0.152	C	C	.	.	B	Isolated β-bridge	trans	-76.6	154.2	174.9	52.9	87.3	0	0	0	113	M694 K695 H696 L736 L737	D692-M694 PolarHBondContact O-N 3.05Å; D692-M694 WeakPolarHBondContact OD1-CB 3.4Å; D692-M694 PolarHBondContact OD1-N 3.15Å; D692-K695 PolarHBondContact O-N 2.86Å; D692-K695 WeakPolarHBondContact OD1-CB 3.49Å; D692-K695 PolarHBondContact OD1-N 2.97Å; D692-H696 PolarHBondContact O-CD2 3.05Å; D692-L736 CarbonylContact C-O 3.6Å; D692-L736 WeakPolarHBondContact CA-O 3.33Å; D692-L737 HydrophobicContact CB-CD2 4.02Å
693	L	90.4	Very high	87	Confident	0 Å²	0	30 Å²	30	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-64.7	-25.9	174	-73.5	-172.4	0	0	0	112.6	K695 H696 I697 F702 Y710 L733 L736 M738 V744	L693-K695 VanDerWaalsContact C-N 3.3Å; L693-K695 PolarHBondContact O-N 2.93Å; L693-H696 PolarHBondContact O-N 3.31Å; L693-H696 VanDerWaalsContact O-N 3.11Å; L693-I697 PolarHBondContact O-N 3.07Å; L693-F702 HydrophobicContact CD2-CZ 4.11Å; L693-Y710 HydrophobicContact CD1-CD2 4.42Å; L693-Y710 HydrophobicContact CD1-CG 4.48Å; L693-Y710 HydrophobicContact CD2-CD2 4.34Å; L693-Y710 HydrophobicContact CD2-CE2 4.26Å; L693-L733 HydrophobicContact CB-CB 4.44Å; L693-L733 HydrophobicContact CB-CD2 3.83Å; L693-L733 HydrophobicContact CD1-CD2 4.24Å; L693-L733 PolarHBondContact N-O 2.91Å; L693-L736 HydrophobicContact CB-CB 4.34Å; L693-L736 HydrophobicContact CD1-CB 3.82Å; L693-L736 HydrophobicContact CD1-CD1 3.89Å; L693-L736 HydrophobicContact CG-CB 3.95Å; L693-L736 PolarHBondContact N-O 2.85Å; L693-M738 HydrophobicContact CD2-CE 3.76Å; L693-V744 HydrophobicContact CD1-CG1 4.19Å; L693-V744 HydrophobicContact CD1-CG2 3.96Å; L693-V744 HydrophobicContact CD2-CG2 3.83Å; L693-V744 HydrophobicContact CG-CG2 4.13Å
694	M	86.3	Confident	86.9	Confident	13 Å²	13	33.5 Å²	33.5	6%	0.064	19%	0.188	C	C	.	.	H	α-helix	trans	-61.4	-37.8	179.9	-176.7	43.6	146.1	0	0	111.7	L475 D692 I697 H698 L733	L475-M694 HydrophobicContact CB-CE 4.03Å; L475-M694 HydrophobicContact CD1-SD 4.19Å; L475-M694 HydrophobicContact CD2-CE 4.35Å; D692-M694 PolarHBondContact O-N 3.05Å; D692-M694 WeakPolarHBondContact OD1-CB 3.4Å; D692-M694 PolarHBondContact OD1-N 3.15Å; M694-I697 WeakPolarHBondContact O-CG2 3.26Å; M694-I697 HydrophobicContact SD-CG2 3.91Å; M694-H698 PolarHBondContact O-N 2.96Å; M694-H698 PolarHBondContact O-ND1 2.86Å; M694-H698 PolarHBondContact SD-CE1 3.48Å; M694-L733 HydrophobicContact CB-CB 3.86Å; M694-L733 PolarHBondContact N-O 2.8Å; M694-L733 HydrophobicContact SD-CD1 4.31Å
695	K	82.4	Confident	86.8	Confident	65 Å²	65	41.1 Å²	41.1	28%	0.283	22%	0.221	S	C	.	.	H	α-helix	trans	-67.2	-36.9	173.1	-165.2	175.3	-168	177.3	0	113.3	D692 L693 T699 S892 N893 F894	D692-K695 PolarHBondContact O-N 2.86Å; D692-K695 WeakPolarHBondContact OD1-CB 3.49Å; D692-K695 PolarHBondContact OD1-N 2.97Å; L693-K695 VanDerWaalsContact C-N 3.3Å; L693-K695 PolarHBondContact O-N 2.93Å; K695-T699 PolarHBondContact O-OG1 2.96Å; K695-S892 PolarHBondContact NZ-O 3.37Å; K695-N893 WeakPolarHBondContact CD-O 3.36Å; K695-F894 PolarHBondContact NZ-O 2.94Å
696	H	83.6	Confident	86.8	Confident	22 Å²	22	42.2 Å²	42.2	10%	0.102	23%	0.226	C	C	.	.	H	α-helix	trans	-69.8	-44.9	-179.7	-69.3	-64.3	0	0	0	111.9	G690 D692 L693 H698 T699 A700 F702 F881	G690-H696 PolarHBondContact O-NE2 3.2Å; D692-H696 PolarHBondContact O-CD2 3.05Å; L693-H696 PolarHBondContact O-N 3.31Å; L693-H696 VanDerWaalsContact O-N 3.11Å; H696-H698 VanDerWaalsContact C-N 3.28Å; H696-H698 PolarHBondContact O-N 3.4Å; H696-T699 WeakPolarHBondContact O-CB 3.33Å; H696-T699 PolarHBondContact O-N 3.43Å; H696-A700 PolarHBondContact O-N 3.21Å; H696-F702 HydrophobicContact CB-CE1 3.98Å; H696-F702 HydrophobicContact CB-CZ 3.81Å; H696-F881 AromaticContact CE1-CE1 3.65Å; H696-F881 AromaticContact CE1-CZ 3.9Å; H696-F881 AromaticContact ND1-CE1 3.61Å; H696-F881 AromaticContact ND1-CZ 3.68Å
697	I	77.9	Confident	86.9	Confident	5 Å²	5	41.4 Å²	41.4	3%	0.026	22%	0.219	C	C	.	.	H	α-helix	trans	-66.2	-30.2	-179.4	-163.9	170.7	0	0	0	112.8	L475 L693 M694 T699 A700 F702 L733 E797	L475-I697 HydrophobicContact CD1-CB 4.32Å; L475-I697 HydrophobicContact CD1-CD1 4.32Å; L475-I697 HydrophobicContact CD1-CG1 4.11Å; L475-I697 HydrophobicContact CD1-CG2 3.46Å; L475-I697 VanDerWaalsContact CD1-CG2 3.46Å; L693-I697 PolarHBondContact O-N 3.07Å; M694-I697 WeakPolarHBondContact O-CG2 3.26Å; M694-I697 HydrophobicContact SD-CG2 3.91Å; I697-T699 PolarHBondContact O-N 3.36Å; I697-A700 WeakPolarHBondContact CA-O 3.48Å; I697-A700 CarbonylContact O-C 3.58Å; I697-A700 VanDerWaalsContact O-C 3.28Å; I697-A700 PolarHBondContact O-N 3.12Å; I697-F702 HydrophobicContact CB-CD2 4.38Å; I697-F702 HydrophobicContact CB-CE2 3.86Å; I697-F702 HydrophobicContact CB-CZ 4.11Å; I697-F702 HydrophobicContact CD1-CD2 4.19Å; I697-F702 HydrophobicContact CD1-CE2 4.33Å; I697-F702 HydrophobicContact CG1-CD2 4.32Å; I697-F702 HydrophobicContact CG1-CE2 4.29Å; I697-L733 HydrophobicContact CD1-CD1 4.2Å; I697-L733 HydrophobicContact CG2-CD1 3.93Å; I697-E797 VanDerWaalsContact CD1-O 3.25Å; I697-E797 WeakPolarHBondContact CD1-O 3.2Å
698	H	68.9	Low	87.1	Confident	67 Å²	67	41.5 Å²	41.5	31%	0.31	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-23.2	171.2	-86.7	109.9	0	0	0	113.3	M694 H696	M694-H698 PolarHBondContact O-N 2.96Å; M694-H698 PolarHBondContact O-ND1 2.86Å; M694-H698 PolarHBondContact SD-CE1 3.48Å; H696-H698 VanDerWaalsContact C-N 3.28Å; H696-H698 PolarHBondContact O-N 3.4Å
699	T	68.4	Low	87.2	Confident	123 Å²	123	42 Å²	42	76%	0.755	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.4	-42.1	177	-54.9	0	0	0	0	111.3	K695 H696 I697	K695-T699 PolarHBondContact O-OG1 2.96Å; H696-T699 WeakPolarHBondContact O-CB 3.33Å; H696-T699 PolarHBondContact O-N 3.43Å; I697-T699 PolarHBondContact O-N 3.36Å
700	A	69.5	Low	87.4	Confident	60 Å²	60	41 Å²	41	50%	0.496	22%	0.217	S	C	.	.	S	Bend	trans	-157.9	140.1	171.1	0	0	0	0	0	111.4	H696 I697	H696-A700 PolarHBondContact O-N 3.21Å; I697-A700 WeakPolarHBondContact CA-O 3.48Å; I697-A700 CarbonylContact O-C 3.58Å; I697-A700 VanDerWaalsContact O-C 3.28Å; I697-A700 PolarHBondContact O-N 3.12Å
701	I	80.6	Confident	87.6	Confident	93 Å²	93	41 Å²	41	48%	0.477	22%	0.217	S	C	.	.	P	Polyproline II helix	trans	-57.7	138.7	170.1	-55.5	171.4	0	0	0	109	M798	I701-M798 WeakPolarHBondContact CG2-O 3.45Å
702	F	88	Confident	88	Confident	12 Å²	12	41 Å²	41	5%	0.053	22%	0.217	C	C	.	.	P	Polyproline II helix	trans	-73.7	136.2	-176.5	-63.1	-53.3	0	0	0	111.5	L693 H696 I697 Q706 Y710 M798	L693-F702 HydrophobicContact CD2-CZ 4.11Å; H696-F702 HydrophobicContact CB-CE1 3.98Å; H696-F702 HydrophobicContact CB-CZ 3.81Å; I697-F702 HydrophobicContact CB-CD2 4.38Å; I697-F702 HydrophobicContact CB-CE2 3.86Å; I697-F702 HydrophobicContact CB-CZ 4.11Å; I697-F702 HydrophobicContact CD1-CD2 4.19Å; I697-F702 HydrophobicContact CD1-CE2 4.33Å; I697-F702 HydrophobicContact CG1-CD2 4.32Å; I697-F702 HydrophobicContact CG1-CE2 4.29Å; F702-Q706 HydrophobicContact CB-CB 3.87Å; F702-Q706 HydrophobicContact CD1-CB 4.26Å; F702-Q706 HydrophobicContact CG-CB 4.33Å; F702-Y710 AromaticContact CD1-CE2 3.96Å; F702-Y710 HydrophobicContact CD1-CE2 3.96Å; F702-Y710 HydrophobicContact CD2-CD2 4.43Å; F702-Y710 AromaticContact CE1-CE2 3.84Å; F702-Y710 HydrophobicContact CE1-CE2 3.84Å; F702-Y710 HydrophobicContact CE2-CD2 4.41Å; F702-Y710 HydrophobicContact CE2-CE2 4.38Å; F702-Y710 HydrophobicContact CG-CE2 4.31Å; F702-Y710 HydrophobicContact CZ-CD2 4.5Å; F702-Y710 HydrophobicContact CZ-CE2 4.05Å; F702-M798 HydrophobicContact CB-CB 4.48Å; F702-M798 WeakPolarHBondContact CB-O 3.23Å; F702-M798 HydrophobicContact CD2-CB 3.89Å; F702-M798 HydrophobicContact CD2-CG 3.73Å; F702-M798 HydrophobicContact CD2-SD 4.13Å; F702-M798 HydrophobicContact CE2-CG 4.19Å; F702-M798 HydrophobicContact CE2-SD 4.46Å; F702-M798 PolarHBondContact N-O 2.83Å; F702-M798 VanDerWaalsContact N-O 3.13Å
703	S	91.4	Very high	88.4	Confident	59 Å²	59	39.6 Å²	39.6	41%	0.413	21%	0.21	S	C	.	.	P	Polyproline II helix	trans	-65.8	156.6	169.3	64.3	0	0	0	0	110.9	K705 Q706 S707	S703-K705 PolarHBondContact O-N 3.01Å; S703-Q706 WeakPolarHBondContact O-CA 3.43Å; S703-Q706 WeakPolarHBondContact O-CB 3.4Å; S703-Q706 PolarHBondContact O-N 2.93Å; S703-Q706 PolarHBondContact OG-OE1 2.87Å; S703-S707 PolarHBondContact O-N 3.45Å; S703-S707 PolarHBondContact O-OG 3.48Å
704	E	92.8	Very high	88.7	Confident	73 Å²	73	39.7 Å²	39.7	34%	0.341	21%	0.21	S	C	.	.	H	α-helix	trans	-52.8	-35.2	179.9	-174.2	165.5	-161.5	0	0	113.2	S707 L708 L799 S829 S832 F863	E704-S707 PolarHBondContact O-N 3.45Å; E704-L708 WeakPolarHBondContact O-CB 3.42Å; E704-L708 PolarHBondContact O-N 2.93Å; E704-L799 HydrophobicContact CB-CD2 4.15Å; E704-L799 HydrophobicContact CG-CD2 4.41Å; E704-S829 WeakPolarHBondContact OE1-CB 3.47Å; E704-S829 PolarHBondContact OE1-OG 3.25Å; E704-S829 WeakPolarHBondContact OE2-CB 3.38Å; E704-S832 VanDerWaalsContact CD-OG 3.27Å; E704-S832 PolarHBondContact OE1-OG 3.05Å; E704-F863 HydrophobicContact CG-CE2 4.02Å
705	K	94.1	Very high	89.3	Confident	159 Å²	159	39 Å²	39	69%	0.691	21%	0.207	S	C	*	.	H	α-helix	trans	-69.3	-31.8	175.4	-64.2	-166.5	174.4	-161.5	0	113.8	S703 F709	S703-K705 PolarHBondContact O-N 3.01Å; K705-F709 WeakPolarHBondContact O-CB 3.46Å; K705-F709 PolarHBondContact O-N 3.39Å
706	Q	95.4	Very high	90.1	Very high	39 Å²	39	36.1 Å²	36.1	18%	0.182	19%	0.194	C	C	.	.	H	α-helix	trans	-72.7	-48.7	172.5	-74	162.3	-65.2	0	0	110.6	F702 S703 L708 F709 Y710 P880	F702-Q706 HydrophobicContact CB-CB 3.87Å; F702-Q706 HydrophobicContact CD1-CB 4.26Å; F702-Q706 HydrophobicContact CG-CB 4.33Å; S703-Q706 WeakPolarHBondContact O-CA 3.43Å; S703-Q706 WeakPolarHBondContact O-CB 3.4Å; S703-Q706 PolarHBondContact O-N 2.93Å; S703-Q706 PolarHBondContact OG-OE1 2.87Å; Q706-L708 VanDerWaalsContact C-N 3.31Å; Q706-L708 PolarHBondContact O-N 3.18Å; Q706-F709 PolarHBondContact O-N 3.01Å; Q706-F709 VanDerWaalsContact O-N 3.16Å; Q706-Y710 HydrophobicContact CB-CD2 4.38Å; Q706-Y710 HydrophobicContact CB-CE2 3.99Å; Q706-Y710 VanDerWaalsContact O-CD2 3.3Å; Q706-Y710 WeakPolarHBondContact O-CD2 3.36Å; Q706-Y710 PolarHBondContact O-N 2.93Å; Q706-P880 HydrophobicContact CB-CG 4.3Å; Q706-P880 HydrophobicContact CG-CB 3.71Å; Q706-P880 HydrophobicContact CG-CG 3.77Å
707	S	96.4	Very high	90.8	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-59	-41.3	177.9	-52.4	0	0	0	0	111.9	S703 E704 S711 L799	S703-S707 PolarHBondContact O-N 3.45Å; S703-S707 PolarHBondContact O-OG 3.48Å; E704-S707 PolarHBondContact O-N 3.45Å; S707-S711 VanDerWaalsContact O-CB 3.23Å; S707-S711 WeakPolarHBondContact O-CB 3.46Å; S707-S711 PolarHBondContact O-N 2.97Å; S707-S711 PolarHBondContact O-OG 2.97Å; S707-L799 WeakPolarHBondContact OG-CD2 3.33Å
708	L	97.6	Very high	91.8	Very high	29 Å²	29	34.9 Å²	34.9	15%	0.152	19%	0.188	C	C	.	.	H	α-helix	trans	-61	-47.8	173.8	-177.8	159.7	0	0	0	111.9	E704 Q706 S711 S712 F863 M867	E704-L708 WeakPolarHBondContact O-CB 3.42Å; E704-L708 PolarHBondContact O-N 2.93Å; Q706-L708 VanDerWaalsContact C-N 3.31Å; Q706-L708 PolarHBondContact O-N 3.18Å; L708-S711 PolarHBondContact O-OG 3.35Å; L708-S712 WeakPolarHBondContact O-CB 3.48Å; L708-S712 PolarHBondContact O-N 3.15Å; L708-S712 PolarHBondContact O-OG 2.99Å; L708-F863 HydrophobicContact CB-CE1 3.96Å; L708-F863 HydrophobicContact CB-CE2 4.46Å; L708-F863 HydrophobicContact CB-CZ 3.76Å; L708-F863 WeakPolarHBondContact CD1-O 3.35Å; L708-F863 HydrophobicContact CG-CE1 4.19Å; L708-F863 HydrophobicContact CG-CZ 4.37Å; L708-M867 HydrophobicContact CD2-CE 3.46Å; L708-M867 VanDerWaalsContact CD2-CE 3.46Å
709	F	98.2	Very high	93.2	Very high	13 Å²	13	33.1 Å²	33.1	6%	0.057	18%	0.18	C	C	.	.	H	α-helix	trans	-64.7	-48.2	179.6	-172	-92.3	0	0	0	112.2	K705 Q706 S712 C713 Y743 L872 L877 P879 P880	K705-F709 WeakPolarHBondContact O-CB 3.46Å; K705-F709 PolarHBondContact O-N 3.39Å; Q706-F709 PolarHBondContact O-N 3.01Å; Q706-F709 VanDerWaalsContact O-N 3.16Å; F709-S712 PolarHBondContact O-N 2.63Å; F709-C713 PolarHBondContact O-N 3.38Å; F709-C713 VanDerWaalsContact O-N 3.15Å; F709-C713 PolarHBondContact O-SG 3.39Å; F709-Y743 HydrophobicContact CE1-CD1 4.02Å; F709-Y743 HydrophobicContact CE1-CE1 4.41Å; F709-Y743 AromaticContact CZ-CD1 3.74Å; F709-Y743 HydrophobicContact CZ-CD1 3.74Å; F709-Y743 AromaticContact CZ-CE1 3.68Å; F709-Y743 HydrophobicContact CZ-CE1 3.68Å; F709-L872 HydrophobicContact CD2-CD1 4.47Å; F709-L872 HydrophobicContact CE2-CD1 3.82Å; F709-L872 HydrophobicContact CZ-CD1 3.93Å; F709-L877 HydrophobicContact CE2-CB 4.03Å; F709-P879 HydrophobicContact CE1-CB 3.81Å; F709-P879 HydrophobicContact CE1-CG 3.99Å; F709-P879 HydrophobicContact CZ-CB 3.93Å; F709-P879 HydrophobicContact CZ-CG 3.74Å; F709-P880 HydrophobicContact CB-CG 4.03Å; F709-P880 HydrophobicContact CD1-CG 4.1Å; F709-P880 HydrophobicContact CG-CG 4.13Å
710	Y	98.1	Very high	94.6	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-69.4	-43	-178	-58.8	-34.4	0	0	0	112.5	L693 F702 Q706 S712 C713 V714 M738 V744 M798 P880	L693-Y710 HydrophobicContact CD1-CD2 4.42Å; L693-Y710 HydrophobicContact CD1-CG 4.48Å; L693-Y710 HydrophobicContact CD2-CD2 4.34Å; L693-Y710 HydrophobicContact CD2-CE2 4.26Å; F702-Y710 AromaticContact CD1-CE2 3.96Å; F702-Y710 HydrophobicContact CD1-CE2 3.96Å; F702-Y710 HydrophobicContact CD2-CD2 4.43Å; F702-Y710 AromaticContact CE1-CE2 3.84Å; F702-Y710 HydrophobicContact CE1-CE2 3.84Å; F702-Y710 HydrophobicContact CE2-CD2 4.41Å; F702-Y710 HydrophobicContact CE2-CE2 4.38Å; F702-Y710 HydrophobicContact CG-CE2 4.31Å; F702-Y710 HydrophobicContact CZ-CD2 4.5Å; F702-Y710 HydrophobicContact CZ-CE2 4.05Å; Q706-Y710 HydrophobicContact CB-CD2 4.38Å; Q706-Y710 HydrophobicContact CB-CE2 3.99Å; Q706-Y710 VanDerWaalsContact O-CD2 3.3Å; Q706-Y710 WeakPolarHBondContact O-CD2 3.36Å; Q706-Y710 PolarHBondContact O-N 2.93Å; Y710-S712 VanDerWaalsContact C-N 3.25Å; Y710-S712 PolarHBondContact O-N 2.85Å; Y710-C713 WeakPolarHBondContact O-CB 3.45Å; Y710-C713 PolarHBondContact O-N 3.28Å; Y710-C713 VanDerWaalsContact O-N 3.17Å; Y710-V714 WeakPolarHBondContact O-CG2 3.3Å; Y710-V714 PolarHBondContact O-N 3.24Å; Y710-M738 HydrophobicContact CE1-CE 4.07Å; Y710-M738 WeakPolarHBondContact OH-CE 3.44Å; Y710-V744 HydrophobicContact CD1-CB 4.46Å; Y710-V744 HydrophobicContact CD1-CG2 3.4Å; Y710-V744 VanDerWaalsContact CD1-CG2 3.4Å; Y710-V744 HydrophobicContact CE1-CG2 3.94Å; Y710-V744 HydrophobicContact CG-CG2 3.89Å; Y710-M798 HydrophobicContact CD2-SD 4.26Å; Y710-P880 HydrophobicContact CE1-CG 4.18Å
711	S	98.3	Very high	96	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-63.1	-31.1	173.8	57.6	0	0	0	0	112.5	S707 L708 V714 L715	S707-S711 VanDerWaalsContact O-CB 3.23Å; S707-S711 WeakPolarHBondContact O-CB 3.46Å; S707-S711 PolarHBondContact O-N 2.97Å; S707-S711 PolarHBondContact O-OG 2.97Å; L708-S711 PolarHBondContact O-OG 3.35Å; S711-V714 PolarHBondContact O-N 3.39Å; S711-L715 VanDerWaalsContact O-CB 3.23Å; S711-L715 WeakPolarHBondContact O-CB 3.49Å; S711-L715 PolarHBondContact O-N 2.86Å
712	S	98.6	Very high	96.8	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-68.2	-37.7	173.8	-57.6	0	0	0	0	112.5	L708 F709 Y710 L716 F864 L872	L708-S712 WeakPolarHBondContact O-CB 3.48Å; L708-S712 PolarHBondContact O-N 3.15Å; L708-S712 PolarHBondContact O-OG 2.99Å; F709-S712 PolarHBondContact O-N 2.63Å; Y710-S712 VanDerWaalsContact C-N 3.25Å; Y710-S712 PolarHBondContact O-N 2.85Å; S712-L716 WeakPolarHBondContact O-CG 3.05Å; S712-L716 PolarHBondContact O-N 2.63Å; S712-F864 WeakPolarHBondContact OG-CD1 3.26Å; S712-F864 WeakPolarHBondContact OG-CE1 3.13Å; S712-L872 VanDerWaalsContact CB-CD2 3.4Å
713	C	98.5	Very high	97.3	Very high	0 Å²	0	27 Å²	27	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-63.2	-44.9	172.9	-60.6	0	0	0	0	111.1	F667 F709 Y710 G717 V744	F667-C713 HydrophobicContact CB-CB 4.47Å; F667-C713 WeakPolarHBondContact CB-O 3.41Å; F667-C713 HydrophobicContact CD1-CB 3.91Å; F667-C713 HydrophobicContact CD2-CB 4.43Å; F667-C713 HydrophobicContact CE1-CB 4.3Å; F667-C713 HydrophobicContact CG-CB 4Å; F709-C713 PolarHBondContact O-N 3.38Å; F709-C713 VanDerWaalsContact O-N 3.15Å; F709-C713 PolarHBondContact O-SG 3.39Å; Y710-C713 WeakPolarHBondContact O-CB 3.45Å; Y710-C713 PolarHBondContact O-N 3.28Å; Y710-C713 VanDerWaalsContact O-N 3.17Å; C713-G717 PolarHBondContact O-N 3Å; C713-G717 VanDerWaalsContact O-N 3.11Å; C713-V744 HydrophobicContact CB-CB 4.27Å
714	V	98.6	Very high	97.6	Very high	1 Å²	1	27.5 Å²	27.5	1%	0.006	13%	0.129	C	C	.	.	H	α-helix	trans	-64.7	-44.1	177.7	172.7	0	0	0	0	111.6	Y710 S711 L716 G717 L718 L731 L736 V744 I746 L791 L794	Y710-V714 WeakPolarHBondContact O-CG2 3.3Å; Y710-V714 PolarHBondContact O-N 3.24Å; S711-V714 PolarHBondContact O-N 3.39Å; V714-L716 VanDerWaalsContact C-N 3.35Å; V714-L716 PolarHBondContact O-N 3.22Å; V714-G717 CarbonylContact O-C 3.54Å; V714-G717 WeakPolarHBondContact O-CA 3.29Å; V714-G717 PolarHBondContact O-N 3.17Å; V714-L718 HydrophobicContact CG1-CD1 4.26Å; V714-L718 HydrophobicContact CG1-CG 4.35Å; V714-L718 PolarHBondContact O-N 2.92Å; V714-L731 HydrophobicContact CG1-CD1 3.75Å; V714-L731 HydrophobicContact CG1-CD2 3.61Å; V714-L731 HydrophobicContact CG1-CG 4.35Å; V714-L736 HydrophobicContact CG2-CD1 3.8Å; V714-L736 HydrophobicContact CG2-CD2 3.63Å; V714-L736 HydrophobicContact CG2-CG 4.37Å; V714-V744 HydrophobicContact CG2-CG1 4.27Å; V714-I746 HydrophobicContact CG1-CD1 4.26Å; V714-L791 HydrophobicContact CG1-CD1 4.05Å; V714-L794 HydrophobicContact CG1-CD2 4.24Å; V714-L794 HydrophobicContact CG2-CD2 4.24Å
715	L	98.7	Very high	97.8	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-59.2	-44.6	179.2	-174.1	160.2	0	0	0	111.4	S711 G717 L718 E719 W788 A855 I858 K859 F864 W869	S711-L715 VanDerWaalsContact O-CB 3.23Å; S711-L715 WeakPolarHBondContact O-CB 3.49Å; S711-L715 PolarHBondContact O-N 2.86Å; L715-G717 VanDerWaalsContact C-N 3.31Å; L715-G717 PolarHBondContact O-N 2.68Å; L715-L718 PolarHBondContact O-N 2.9Å; L715-E719 VanDerWaalsContact O-CB 3.25Å; L715-E719 WeakPolarHBondContact O-CB 3.4Å; L715-E719 PolarHBondContact O-N 3.28Å; L715-W788 HydrophobicContact CG-CZ3 4.37Å; L715-A855 HydrophobicContact CD2-CB 4.03Å; L715-I858 HydrophobicContact CD1-CB 3.94Å; L715-I858 HydrophobicContact CD1-CG2 3.47Å; L715-I858 VanDerWaalsContact CD1-CG2 3.47Å; L715-K859 HydrophobicContact CD1-CG 4.44Å; L715-K859 HydrophobicContact CD2-CD 4.22Å; L715-K859 HydrophobicContact CD2-CG 3.65Å; L715-F864 HydrophobicContact CD1-CE2 4.14Å; L715-F864 HydrophobicContact CD1-CZ 4.08Å; L715-W869 HydrophobicContact CD1-CH2 4Å; L715-W869 HydrophobicContact CD2-CH2 4.16Å; L715-W869 HydrophobicContact CD2-CZ3 4.02Å
716	L	98.6	Very high	98	Very high	4 Å²	4	21.7 Å²	21.7	2%	0.021	10%	0.104	C	C	.	.	H	α-helix	trans	-64.5	-35	173.9	-70.2	175.2	0	0	0	112.1	H665 F667 S712 V714 E719 F720 W869 L872 L873	H665-L716 PolarHBondContact CE1-O 3.12Å; H665-L716 VanDerWaalsContact CE1-O 3.31Å; F667-L716 HydrophobicContact CD2-CB 3.87Å; F667-L716 HydrophobicContact CD2-CD1 4.07Å; F667-L716 HydrophobicContact CE2-CB 4.32Å; F667-L716 HydrophobicContact CE2-CD1 3.64Å; S712-L716 WeakPolarHBondContact O-CG 3.05Å; S712-L716 PolarHBondContact O-N 2.63Å; V714-L716 VanDerWaalsContact C-N 3.35Å; V714-L716 PolarHBondContact O-N 3.22Å; L716-E719 WeakPolarHBondContact CD2-OE2 3.46Å; L716-F720 PolarHBondContact O-N 3.21Å; L716-F720 VanDerWaalsContact O-N 3.13Å; L716-W869 HydrophobicContact CD1-CE3 4.1Å; L716-W869 HydrophobicContact CD2-CE3 3.89Å; L716-W869 HydrophobicContact CD2-CZ3 4.48Å; L716-W869 HydrophobicContact CG-CE3 3.91Å; L716-W869 HydrophobicContact CG-CZ3 4.19Å; L716-L872 HydrophobicContact CD1-CB 4.35Å; L716-L872 HydrophobicContact CD1-CD2 3.76Å; L716-L872 HydrophobicContact CD1-CG 3.99Å; L716-L873 HydrophobicContact CD1-CB 4.25Å; L716-L873 HydrophobicContact CD1-CD1 4.47Å
717	G	98.3	Very high	98.1	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-62.4	-49.1	172.6	0	0	0	0	0	113.2	C713 V714 L715 F720 L721	C713-G717 PolarHBondContact O-N 3Å; C713-G717 VanDerWaalsContact O-N 3.11Å; V714-G717 CarbonylContact O-C 3.54Å; V714-G717 WeakPolarHBondContact O-CA 3.29Å; V714-G717 PolarHBondContact O-N 3.17Å; L715-G717 VanDerWaalsContact C-N 3.31Å; L715-G717 PolarHBondContact O-N 2.68Å; G717-F720 PolarHBondContact O-N 3.46Å; G717-L721 WeakPolarHBondContact O-CG 3.39Å; G717-L721 PolarHBondContact O-N 3.45Å
718	L	98.6	Very high	98.1	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-65.5	-42.5	176.5	-69.4	-179.9	0	0	0	112	V714 L715 F720 L721 H722 Y728 L731 I746 D787 W788	V714-L718 HydrophobicContact CG1-CD1 4.26Å; V714-L718 HydrophobicContact CG1-CG 4.35Å; V714-L718 PolarHBondContact O-N 2.92Å; L715-L718 PolarHBondContact O-N 2.9Å; L718-F720 VanDerWaalsContact C-N 3.31Å; L718-F720 PolarHBondContact O-N 3.49Å; L718-L721 PolarHBondContact O-N 3.4Å; L718-L721 VanDerWaalsContact O-N 3.09Å; L718-H722 WeakPolarHBondContact O-CB 3.41Å; L718-H722 PolarHBondContact O-N 3.24Å; L718-Y728 HydrophobicContact CD2-CD1 4.5Å; L718-Y728 HydrophobicContact CD2-CG 4.29Å; L718-L731 HydrophobicContact CD1-CD2 3.98Å; L718-I746 HydrophobicContact CD2-CD1 4.3Å; L718-I746 HydrophobicContact CG-CD1 4.36Å; L718-D787 HydrophobicContact CD1-CB 4.14Å; L718-D787 HydrophobicContact CD2-CB 4.1Å; L718-W788 HydrophobicContact CB-CH2 3.69Å; L718-W788 HydrophobicContact CB-CZ3 3.79Å; L718-W788 HydrophobicContact CD1-CE3 3.84Å; L718-W788 HydrophobicContact CD1-CH2 4.25Å; L718-W788 HydrophobicContact CD1-CZ3 3.49Å; L718-W788 VanDerWaalsContact CD1-CZ3 3.49Å; L718-W788 HydrophobicContact CG-CZ3 4.31Å
719	E	98.4	Very high	98	Very high	30 Å²	30	19.1 Å²	19.1	14%	0.14	9%	0.091	C	C	.	.	H	α-helix	trans	-54.7	-46.5	175.2	178.8	179.3	-123.5	0	0	111.5	L715 L716 L721 H722 Q723 A855 K859	L715-E719 VanDerWaalsContact O-CB 3.25Å; L715-E719 WeakPolarHBondContact O-CB 3.4Å; L715-E719 PolarHBondContact O-N 3.28Å; L716-E719 WeakPolarHBondContact CD2-OE2 3.46Å; E719-L721 VanDerWaalsContact C-N 3.35Å; E719-L721 PolarHBondContact O-N 3.5Å; E719-H722 PolarHBondContact O-N 2.92Å; E719-Q723 HydrophobicContact CG-CG 4.41Å; E719-Q723 VanDerWaalsContact CG-NE2 3.32Å; E719-Q723 WeakPolarHBondContact O-CB 3.38Å; E719-Q723 VanDerWaalsContact O-CG 3.22Å; E719-Q723 WeakPolarHBondContact O-CG 3.25Å; E719-Q723 PolarHBondContact O-N 3.09Å; E719-A855 HydrophobicContact CB-CB 3.54Å; E719-A855 HydrophobicContact CG-CB 3.67Å; E719-K859 WeakPolarHBondContact OE1-CE 3.26Å; E719-K859 IonicContact OE1-NZ 3.58Å; E719-K859 PolarHBondContact OE1-NZ 3.03Å; E719-K859 WeakPolarHBondContact OE2-CE 3.4Å; E719-K859 IonicContact OE2-NZ 2.71Å; E719-K859 PolarHBondContact OE2-NZ 3.45Å
720	F	98.4	Very high	97.7	Very high	24 Å²	24	19.4 Å²	19.4	11%	0.105	9%	0.093	C	C	.	.	H	α-helix	trans	-60.6	-43	176.4	176.1	-92.5	0	0	0	112.1	V659 I660 A663 H665 L668 L716 G717 L718 N724	V659-F720 HydrophobicContact CG1-CE1 4.22Å; V659-F720 HydrophobicContact CG1-CZ 4.13Å; I660-F720 HydrophobicContact CG1-CE1 4.06Å; A663-F720 HydrophobicContact CB-CD2 4.3Å; A663-F720 HydrophobicContact CB-CE2 3.25Å; A663-F720 HydrophobicContact CB-CZ 3.42Å; A663-F720 VanDerWaalsContact CB-CZ 3.42Å; H665-F720 HydrophobicContact CB-CD1 4.49Å; H665-F720 HydrophobicContact CB-CG 4.39Å; L668-F720 HydrophobicContact CD1-CD1 3.48Å; L668-F720 VanDerWaalsContact CD1-CD1 3.48Å; L668-F720 HydrophobicContact CD1-CE1 4.11Å; L668-F720 HydrophobicContact CD1-CG 4.29Å; L716-F720 PolarHBondContact O-N 3.21Å; L716-F720 VanDerWaalsContact O-N 3.13Å; G717-F720 PolarHBondContact O-N 3.46Å; L718-F720 VanDerWaalsContact C-N 3.31Å; L718-F720 PolarHBondContact O-N 3.49Å; F720-N724 WeakPolarHBondContact CE2-ND2 3.35Å; F720-N724 WeakPolarHBondContact CZ-ND2 3.46Å; F720-N724 PolarHBondContact O-N 3.3Å; F720-N724 PolarHBondContact O-ND2 2.72Å
721	L	98.2	Very high	97.6	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-64.5	-48.7	177.5	-65.2	174.6	0	0	0	110.9	I656 I660 L668 G717 L718 E719 Q723 N724 Q725 I726 Y728 F749	I656-L721 HydrophobicContact CG2-CD2 4.48Å; I660-L721 HydrophobicContact CD1-CD2 4.3Å; I660-L721 HydrophobicContact CG1-CD2 4.42Å; L668-L721 HydrophobicContact CD1-CD2 4.16Å; L668-L721 HydrophobicContact CD1-CG 4.31Å; L668-L721 HydrophobicContact CD2-CD1 4.48Å; G717-L721 WeakPolarHBondContact O-CG 3.39Å; G717-L721 PolarHBondContact O-N 3.45Å; L718-L721 PolarHBondContact O-N 3.4Å; L718-L721 VanDerWaalsContact O-N 3.09Å; E719-L721 VanDerWaalsContact C-N 3.35Å; E719-L721 PolarHBondContact O-N 3.5Å; L721-Q723 VanDerWaalsContact C-N 3.35Å; L721-Q723 PolarHBondContact O-N 3.26Å; L721-N724 CarbonylContact O-C 3.42Å; L721-N724 WeakPolarHBondContact O-CA 3.42Å; L721-N724 PolarHBondContact O-N 3.06Å; L721-Q725 PolarHBondContact O-N 3.32Å; L721-Q725 VanDerWaalsContact O-N 3.16Å; L721-I726 CarbonylContact C-O 3.51Å; L721-I726 HydrophobicContact CB-CB 4.12Å; L721-I726 HydrophobicContact CB-CG2 4.32Å; L721-I726 WeakPolarHBondContact CB-O 3.38Å; L721-I726 HydrophobicContact CD2-CB 4.31Å; L721-I726 HydrophobicContact CD2-CD1 4.28Å; L721-I726 HydrophobicContact CD2-CG2 4.08Å; L721-I726 PolarHBondContact O-N 3.15Å; L721-Y728 HydrophobicContact CD1-CD2 3.94Å; L721-Y728 HydrophobicContact CD1-CG 4.35Å; L721-F749 HydrophobicContact CD1-CE1 4.35Å
722	H	98.3	Very high	97.2	Very high	4 Å²	4	20.6 Å²	20.6	2%	0.019	10%	0.098	C	C	.	.	H	α-helix	trans	-61.5	-37.7	178.7	-76.9	-162.4	0	0	0	113.2	L718 E719 N724 Q725 I726 D787 W788 D854	L718-H722 WeakPolarHBondContact O-CB 3.41Å; L718-H722 PolarHBondContact O-N 3.24Å; E719-H722 PolarHBondContact O-N 2.92Å; H722-N724 VanDerWaalsContact C-N 3.26Å; H722-N724 PolarHBondContact O-N 2.94Å; H722-Q725 PolarHBondContact O-N 2.64Å; H722-Q725 VanDerWaalsContact O-N 3.1Å; H722-I726 PolarHBondContact CD2-O 2.92Å; H722-I726 PolarHBondContact N-O 2.68Å; H722-D787 IonicContact CD2-OD2 2.67Å; H722-D787 IonicContact NE2-OD2 3.83Å; H722-D787 PolarHBondContact NE2-OD2 2.84Å; H722-W788 AromaticContact CE1-CE2 3.47Å; H722-W788 VanDerWaalsContact CE1-CE2 3.47Å; H722-W788 AromaticContact CE1-CZ2 3.6Å; H722-W788 AromaticContact CE1-NE1 3.43Å; H722-W788 PolarHBondContact CE1-NE1 3.11Å; H722-W788 AromaticContact ND1-CE2 3.65Å; H722-W788 AromaticContact ND1-CZ2 3.41Å; H722-W788 WeakPolarHBondContact ND1-CZ2 3.38Å; H722-W788 AromaticContact ND1-NE1 3.64Å; H722-D854 VanDerWaalsContact CB-OD2 3.31Å; H722-D854 WeakPolarHBondContact CB-OD2 3.34Å; H722-D854 IonicContact CE1-OD1 3.89Å; H722-D854 IonicContact CG-OD2 2.91Å; H722-D854 VanDerWaalsContact ND1-CG 3.34Å; H722-D854 IonicContact ND1-OD1 2.78Å; H722-D854 PolarHBondContact ND1-OD1 3.18Å; H722-D854 VanDerWaalsContact ND1-OD1 3.07Å; H722-D854 IonicContact ND1-OD2 3.8Å; H722-D854 PolarHBondContact ND1-OD2 2.84Å
723	Q	97.6	Very high	96.8	Very high	131 Å²	131	20.6 Å²	20.6	61%	0.612	10%	0.098	S	C	*	.	H	α-helix	trans	-63.4	-32.4	173.1	-76	176.1	11.5	0	0	112.3	E719 L721 Q725	E719-Q723 HydrophobicContact CG-CG 4.41Å; E719-Q723 VanDerWaalsContact CG-NE2 3.32Å; E719-Q723 WeakPolarHBondContact O-CB 3.38Å; E719-Q723 VanDerWaalsContact O-CG 3.22Å; E719-Q723 WeakPolarHBondContact O-CG 3.25Å; E719-Q723 PolarHBondContact O-N 3.09Å; L721-Q723 VanDerWaalsContact C-N 3.35Å; L721-Q723 PolarHBondContact O-N 3.26Å; Q723-Q725 VanDerWaalsContact C-N 3.3Å
724	N	97.6	Very high	96.3	Very high	70 Å²	70	23.9 Å²	23.9	37%	0.374	12%	0.115	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.9	13.2	174.3	-70.7	-85.8	0	0	0	113.2	V659 F720 L721 H722 I726	V659-N724 HydrophobicContact CG1-CB 4Å; F720-N724 WeakPolarHBondContact CE2-ND2 3.35Å; F720-N724 WeakPolarHBondContact CZ-ND2 3.46Å; F720-N724 PolarHBondContact O-N 3.3Å; F720-N724 PolarHBondContact O-ND2 2.72Å; L721-N724 CarbonylContact O-C 3.42Å; L721-N724 WeakPolarHBondContact O-CA 3.42Å; L721-N724 PolarHBondContact O-N 3.06Å; H722-N724 VanDerWaalsContact C-N 3.26Å; H722-N724 PolarHBondContact O-N 2.94Å; N724-I726 VanDerWaalsContact C-N 3.3Å; N724-I726 HydrophobicContact CB-CD1 4.03Å; N724-I726 PolarHBondContact O-N 2.66Å
725	Q	97.5	Very high	96.1	Very high	107 Å²	107	24.8 Å²	24.8	50%	0.5	12%	0.12	S	C	.	.	T	Hydrogen-bonded Turn	trans	59	37.6	-179.1	-51.7	174.1	15.7	0	0	113.2	L721 H722 Q723 E754 G755 M756	L721-Q725 PolarHBondContact O-N 3.32Å; L721-Q725 VanDerWaalsContact O-N 3.16Å; H722-Q725 PolarHBondContact O-N 2.64Å; H722-Q725 VanDerWaalsContact O-N 3.1Å; Q723-Q725 VanDerWaalsContact C-N 3.3Å; Q725-E754 CarbonylContact O-C 3.59Å; Q725-G755 PolarHBondContact O-N 3.45Å; Q725-M756 PolarHBondContact O-N 2.92Å
726	I	97.7	Very high	95.9	Very high	3 Å²	3	24.8 Å²	24.8	2%	0.015	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	128.7	174.9	-60.8	156.8	0	0	0	108.3	I656 V659 L721 H722 N724 C752 K753 E754	I656-I726 HydrophobicContact CD1-CG2 3.83Å; I656-I726 HydrophobicContact CG1-CD1 3.99Å; I656-I726 HydrophobicContact CG1-CG1 4.28Å; I656-I726 HydrophobicContact CG1-CG2 4.27Å; I656-I726 HydrophobicContact CG2-CD1 4.32Å; V659-I726 HydrophobicContact CG1-CD1 4.36Å; L721-I726 CarbonylContact C-O 3.51Å; L721-I726 HydrophobicContact CB-CB 4.12Å; L721-I726 HydrophobicContact CB-CG2 4.32Å; L721-I726 WeakPolarHBondContact CB-O 3.38Å; L721-I726 HydrophobicContact CD2-CB 4.31Å; L721-I726 HydrophobicContact CD2-CD1 4.28Å; L721-I726 HydrophobicContact CD2-CG2 4.08Å; L721-I726 PolarHBondContact O-N 3.15Å; H722-I726 PolarHBondContact CD2-O 2.92Å; H722-I726 PolarHBondContact N-O 2.68Å; N724-I726 VanDerWaalsContact C-N 3.3Å; N724-I726 HydrophobicContact CB-CD1 4.03Å; N724-I726 PolarHBondContact O-N 2.66Å; I726-C752 HydrophobicContact CG2-CB 4.03Å; I726-K753 WeakPolarHBondContact CA-O 3.38Å; I726-E754 HydrophobicContact CG1-CG 4.19Å
727	V	97.6	Very high	95.8	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	144.9	167.4	65.5	0	0	0	0	109.6	R729 C752 K753 M756 R784 V786 D787	V727-R729 HydrophobicContact CB-CG 4.34Å; V727-R729 HydrophobicContact CG1-CG 3.87Å; V727-R729 HydrophobicContact CG2-CG 3.72Å; V727-C752 CarbonylContact O-C 3.54Å; V727-C752 WeakPolarHBondContact O-CA 3.49Å; V727-C752 WeakPolarHBondContact O-CB 3.42Å; V727-K753 HydrophobicContact CG1-CB 3.84Å; V727-K753 PolarHBondContact N-O 2.93Å; V727-K753 VanDerWaalsContact N-O 3.09Å; V727-K753 PolarHBondContact O-N 3.47Å; V727-M756 HydrophobicContact CB-CB 4.05Å; V727-M756 HydrophobicContact CB-CG 4.45Å; V727-M756 HydrophobicContact CG1-CB 3.78Å; V727-M756 HydrophobicContact CG1-CE 4.39Å; V727-M756 HydrophobicContact CG1-CG 3.64Å; V727-R784 HydrophobicContact CB-CB 4.19Å; V727-R784 HydrophobicContact CG2-CB 3.97Å; V727-V786 HydrophobicContact CG2-CG2 3.95Å; V727-D787 VanDerWaalsContact CG2-OD1 3.24Å; V727-D787 WeakPolarHBondContact CG2-OD1 3.22Å; V727-D787 WeakPolarHBondContact CG2-OD2 3.44Å
728	Y	97.3	Very high	95.7	Very high	1 Å²	1	26.4 Å²	26.4	0%	0.004	13%	0.129	C	C	.	.			trans	-91.6	-53.4	-168.2	-175.3	-105.6	0	0	0	113.8	L718 L721 D730 L731 N735 I746 A747 D748 F749 L751 C752 D787	L718-Y728 HydrophobicContact CD2-CD1 4.5Å; L718-Y728 HydrophobicContact CD2-CG 4.29Å; L721-Y728 HydrophobicContact CD1-CD2 3.94Å; L721-Y728 HydrophobicContact CD1-CG 4.35Å; Y728-D730 VanDerWaalsContact CE1-C 3.41Å; Y728-D730 HydrophobicContact CE1-CB 4.39Å; Y728-D730 WeakPolarHBondContact CE1-O 3.3Å; Y728-D730 PolarHBondContact O-N 2.88Å; Y728-L731 HydrophobicContact CD1-CB 3.93Å; Y728-L731 HydrophobicContact CE1-CB 4.04Å; Y728-N735 PolarHBondContact OH-ND2 2.87Å; Y728-I746 HydrophobicContact CD1-CG2 4.45Å; Y728-I746 HydrophobicContact CD2-CG2 4.05Å; Y728-I746 HydrophobicContact CE1-CG2 3.8Å; Y728-I746 HydrophobicContact CE2-CG2 3.39Å; Y728-I746 WeakPolarHBondContact OH-CG2 3.08Å; Y728-A747 PolarHBondContact OH-O 3.21Å; Y728-D748 PolarHBondContact OH-O 2.94Å; Y728-F749 AromaticContact CD2-CD1 3.93Å; Y728-F749 HydrophobicContact CD2-CD1 3.93Å; Y728-F749 HydrophobicContact CD2-CE1 4.18Å; Y728-F749 AromaticContact CE2-CD1 3.67Å; Y728-F749 HydrophobicContact CE2-CD1 3.67Å; Y728-F749 AromaticContact CE2-CE1 3.87Å; Y728-F749 HydrophobicContact CE2-CE1 3.87Å; Y728-L751 CarbonylContact O-C 3.56Å; Y728-C752 WeakPolarHBondContact CD2-SG 3.24Å; Y728-C752 WeakPolarHBondContact O-CA 3.27Å; Y728-C752 PolarHBondContact O-SG 3.28Å; Y728-D787 WeakPolarHBondContact CB-OD2 3.44Å; Y728-D787 PolarHBondContact N-OD1 3.09Å; Y728-D787 PolarHBondContact N-OD2 3.42Å
729	R	94.9	Very high	95.5	Very high	14 Å²	14	26.6 Å²	26.6	5%	0.053	13%	0.13	C	C	.	.			trans	62.7	28.2	170.3	-41.6	-177.4	-63.9	-179.9	0.7	118	V727 L751 C752 T764 C766 G767 Y782 V786 D787 E790	V727-R729 HydrophobicContact CB-CG 4.34Å; V727-R729 HydrophobicContact CG1-CG 3.87Å; V727-R729 HydrophobicContact CG2-CG 3.72Å; R729-L751 VanDerWaalsContact CZ-O 3.23Å; R729-L751 PolarHBondContact NE-O 2.92Å; R729-L751 PolarHBondContact NH2-O 2.91Å; R729-C752 PolarHBondContact NH2-O 3.08Å; R729-T764 VanDerWaalsContact NH1-CB 3.32Å; R729-C766 VanDerWaalsContact CZ-SG 3.54Å; R729-G767 WeakPolarHBondContact O-CA 3.48Å; R729-Y782 WeakPolarHBondContact CD-OH 3.42Å; R729-Y782 PolarHBondContact NH1-OH 3.36Å; R729-V786 HydrophobicContact CG-CG2 4.08Å; R729-D787 PolarHBondContact N-OD1 3.41Å; R729-E790 VanDerWaalsContact C-OE1 3.26Å; R729-E790 WeakPolarHBondContact CA-OE1 3.43Å
730	D	92.6	Very high	95.3	Very high	18 Å²	18	27.8 Å²	27.8	10%	0.096	15%	0.145	C	C	.	.			trans	-159.8	35.9	172.7	-160.6	29.2	0	0	0	112.6	Y728 K732 N735 L751 T768 E790	Y728-D730 VanDerWaalsContact CE1-C 3.41Å; Y728-D730 HydrophobicContact CE1-CB 4.39Å; Y728-D730 WeakPolarHBondContact CE1-O 3.3Å; Y728-D730 PolarHBondContact O-N 2.88Å; D730-K732 PolarHBondContact O-N 2.9Å; D730-K732 IonicContact OD1-NZ 3.22Å; D730-K732 PolarHBondContact OD1-NZ 2.6Å; D730-K732 IonicContact OD2-NZ 2.62Å; D730-K732 PolarHBondContact OD2-NZ 3.03Å; D730-N735 PolarHBondContact O-ND2 3.48Å; D730-N735 PolarHBondContact OD2-ND2 2.91Å; D730-L751 HydrophobicContact CB-CB 4.26Å; D730-L751 HydrophobicContact CB-CD1 3.88Å; D730-T768 PolarHBondContact OD1-OG1 2.86Å; D730-E790 PolarHBondContact N-OE1 3.46Å; D730-E790 PolarHBondContact N-OE2 2.84Å
731	L	95.5	Very high	95.1	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.162	C	C	.	.			trans	-74.8	107.7	-178	175.5	64.8	0	0	0	110.9	V714 L718 Y728 L736 F771 E790 L791 L794	V714-L731 HydrophobicContact CG1-CD1 3.75Å; V714-L731 HydrophobicContact CG1-CD2 3.61Å; V714-L731 HydrophobicContact CG1-CG 4.35Å; L718-L731 HydrophobicContact CD1-CD2 3.98Å; Y728-L731 HydrophobicContact CD1-CB 3.93Å; Y728-L731 HydrophobicContact CE1-CB 4.04Å; L731-L736 HydrophobicContact CD1-CD1 4.01Å; L731-L736 HydrophobicContact CD1-CD2 3.79Å; L731-L736 HydrophobicContact CD1-CG 4.1Å; L731-F771 WeakPolarHBondContact O-CD1 3.17Å; L731-F771 WeakPolarHBondContact O-CE1 3.14Å; L731-E790 HydrophobicContact CB-CB 3.81Å; L731-E790 VanDerWaalsContact CB-OE2 3.3Å; L731-E790 WeakPolarHBondContact CB-OE2 3.5Å; L731-E790 HydrophobicContact CD2-CB 4.38Å; L731-E790 HydrophobicContact CG-CB 4.43Å; L731-E790 PolarHBondContact N-OE2 3.25Å; L731-L791 HydrophobicContact CD2-CB 4.13Å; L731-L791 HydrophobicContact CD2-CD1 4.41Å; L731-L794 HydrophobicContact CD1-CD2 4.03Å; L731-L794 HydrophobicContact CD2-CD2 4.06Å; L731-L794 HydrophobicContact CG-CD2 4.09Å
732	K	90.5	Very high	94.9	Very high	25 Å²	25	30.9 Å²	30.9	11%	0.109	16%	0.162	C	C	.	.			trans	-145.6	166	176.1	57.9	166.2	171.8	-77.1	0	111	D730 D734 N735 T768 F771	D730-K732 PolarHBondContact O-N 2.9Å; D730-K732 IonicContact OD1-NZ 3.22Å; D730-K732 PolarHBondContact OD1-NZ 2.6Å; D730-K732 IonicContact OD2-NZ 2.62Å; D730-K732 PolarHBondContact OD2-NZ 3.03Å; K732-D734 VanDerWaalsContact C-N 3.28Å; K732-D734 HydrophobicContact CD-CB 4.07Å; K732-D734 HydrophobicContact CG-CB 4.39Å; K732-D734 PolarHBondContact O-N 2.71Å; K732-N735 HydrophobicContact CG-CB 4.24Å; K732-N735 PolarHBondContact NZ-ND2 2.86Å; K732-N735 PolarHBondContact O-N 2.85Å; K732-N735 VanDerWaalsContact O-N 3.09Å; K732-T768 HydrophobicContact CD-CG2 4.31Å; K732-T768 PolarHBondContact NZ-OG1 3.23Å; K732-F771 HydrophobicContact CB-CD1 4.35Å; K732-F771 HydrophobicContact CB-CD2 3.93Å; K732-F771 HydrophobicContact CB-CE1 3.98Å; K732-F771 HydrophobicContact CB-CE2 3.53Å; K732-F771 HydrophobicContact CB-CG 4.33Å; K732-F771 HydrophobicContact CB-CZ 3.56Å
733	L	89.5	Confident	94.9	Very high	1 Å²	1	31.1 Å²	31.1	1%	0.005	16%	0.163	C	C	.	.	G	3₁₀ helix	trans	-58.7	-32.7	-177.1	-69.3	167.2	0	0	0	114.3	L693 M694 I697 N735 L736 L794 E797 M798	L693-L733 HydrophobicContact CB-CB 4.44Å; L693-L733 HydrophobicContact CB-CD2 3.83Å; L693-L733 HydrophobicContact CD1-CD2 4.24Å; L693-L733 PolarHBondContact N-O 2.91Å; M694-L733 HydrophobicContact CB-CB 3.86Å; M694-L733 PolarHBondContact N-O 2.8Å; M694-L733 HydrophobicContact SD-CD1 4.31Å; I697-L733 HydrophobicContact CD1-CD1 4.2Å; I697-L733 HydrophobicContact CG2-CD1 3.93Å; L733-N735 VanDerWaalsContact C-N 3.32Å; L733-N735 PolarHBondContact O-N 2.93Å; L733-L736 PolarHBondContact O-N 2.86Å; L733-L794 HydrophobicContact CD2-CD1 3.6Å; L733-L794 HydrophobicContact CG-CD1 3.83Å; L733-E797 HydrophobicContact CD1-CB 4.21Å; L733-E797 WeakPolarHBondContact CD1-OE2 3.46Å; L733-M798 HydrophobicContact CD2-CG 3.99Å
734	D	88.3	Confident	94.9	Very high	68 Å²	68	25 Å²	25	36%	0.364	13%	0.134	S	C	.	.	G	3₁₀ helix	trans	-66.5	-30.8	177.2	-52.5	-107.6	0	0	0	113.2	K732 L736	K732-D734 VanDerWaalsContact C-N 3.28Å; K732-D734 HydrophobicContact CD-CB 4.07Å; K732-D734 HydrophobicContact CG-CB 4.39Å; K732-D734 PolarHBondContact O-N 2.71Å; D734-L736 VanDerWaalsContact C-N 3.28Å; D734-L736 PolarHBondContact O-N 2.98Å
735	N	93.6	Very high	94.9	Very high	20 Å²	20	23.7 Å²	23.7	11%	0.107	13%	0.125	C	C	.	.	G	3₁₀ helix	trans	-88	4.3	-178.2	-72.2	-3.4	0	0	0	112.6	Y728 D730 K732 L733 A747	Y728-N735 PolarHBondContact OH-ND2 2.87Å; D730-N735 PolarHBondContact O-ND2 3.48Å; D730-N735 PolarHBondContact OD2-ND2 2.91Å; K732-N735 HydrophobicContact CG-CB 4.24Å; K732-N735 PolarHBondContact NZ-ND2 2.86Å; K732-N735 PolarHBondContact O-N 2.85Å; K732-N735 VanDerWaalsContact O-N 3.09Å; L733-N735 VanDerWaalsContact C-N 3.32Å; L733-N735 PolarHBondContact O-N 2.93Å; N735-A747 PolarHBondContact O-N 2.96Å
736	L	96.2	Very high	94.9	Very high	1 Å²	1	18.7 Å²	18.7	1%	0.005	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	100.9	-178.6	-66.6	-179.1	0	0	0	110.4	D692 L693 V714 L731 L733 D734 V744 I746 L794	D692-L736 CarbonylContact C-O 3.6Å; D692-L736 WeakPolarHBondContact CA-O 3.33Å; L693-L736 HydrophobicContact CB-CB 4.34Å; L693-L736 HydrophobicContact CD1-CB 3.82Å; L693-L736 HydrophobicContact CD1-CD1 3.89Å; L693-L736 HydrophobicContact CG-CB 3.95Å; L693-L736 PolarHBondContact N-O 2.85Å; V714-L736 HydrophobicContact CG2-CD1 3.8Å; V714-L736 HydrophobicContact CG2-CD2 3.63Å; V714-L736 HydrophobicContact CG2-CG 4.37Å; L731-L736 HydrophobicContact CD1-CD1 4.01Å; L731-L736 HydrophobicContact CD1-CD2 3.79Å; L731-L736 HydrophobicContact CD1-CG 4.1Å; L733-L736 PolarHBondContact O-N 2.86Å; D734-L736 VanDerWaalsContact C-N 3.28Å; D734-L736 PolarHBondContact O-N 2.98Å; L736-V744 HydrophobicContact CB-CG1 3.83Å; L736-V744 HydrophobicContact CD2-CG1 4.01Å; L736-V744 HydrophobicContact CG-CG1 4.34Å; L736-I746 HydrophobicContact CD2-CB 4.35Å; L736-I746 HydrophobicContact CD2-CG1 3.86Å; L736-L794 HydrophobicContact CD1-CD1 3.7Å; L736-L794 HydrophobicContact CD1-CD2 3.63Å; L736-L794 HydrophobicContact CD1-CG 4.31Å
737	L	95.6	Very high	94.7	Very high	38 Å²	38	19 Å²	19	20%	0.199	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	135.3	-174.9	-56	-176.4	0	0	0	111.8	V669 G691 D692 V744 R745 A747	V669-L737 HydrophobicContact CG2-CD1 4.44Å; G691-L737 CarbonylContact O-C 3.58Å; G691-L737 WeakPolarHBondContact O-CA 3.2Å; D692-L737 HydrophobicContact CB-CD2 4.02Å; L737-V744 CarbonylContact O-C 3.52Å; L737-V744 WeakPolarHBondContact O-CA 3.43Å; L737-R745 PolarHBondContact N-O 2.98Å; L737-R745 PolarHBondContact O-N 3.04Å; L737-A747 HydrophobicContact CD1-CB 3.66Å; L737-A747 HydrophobicContact CG-CB 3.83Å
738	M	95.4	Very high	94.3	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	130	177.3	-171.8	176.5	-70	0	0	111.5	S688 G690 G691 L693 Y710 Y743 F881 P883	S688-M738 CarbonylContact C-O 3.54Å; S688-M738 WeakPolarHBondContact CB-O 3.47Å; G690-M738 WeakPolarHBondContact CA-O 3.28Å; G690-M738 PolarHBondContact N-O 3.45Å; G691-M738 PolarHBondContact O-N 3.25Å; L693-M738 HydrophobicContact CD2-CE 3.76Å; Y710-M738 HydrophobicContact CE1-CE 4.07Å; Y710-M738 WeakPolarHBondContact OH-CE 3.44Å; M738-Y743 CarbonylContact C-O 3.56Å; M738-Y743 WeakPolarHBondContact CA-O 3.23Å; M738-F881 HydrophobicContact CE-CD1 3.83Å; M738-F881 HydrophobicContact CE-CE1 4.16Å; M738-F881 HydrophobicContact SD-CD1 3.68Å; M738-F881 HydrophobicContact SD-CE1 3.72Å; M738-P883 HydrophobicContact CG-CG 4.29Å; M738-P883 HydrophobicContact SD-CB 4.09Å; M738-P883 HydrophobicContact SD-CG 4.01Å
739	D	94.2	Very high	93.9	Very high	3 Å²	3	21.7 Å²	21.7	2%	0.016	12%	0.119	C	C	.	.	P	Polyproline II helix	trans	-80.9	170.9	172.6	76.4	16.3	0	0	0	112.7	D741 G742 Y743 R745 K875 P883	D739-D741 PolarHBondContact O-N 3.42Å; D739-D741 VanDerWaalsContact O-N 3.13Å; D739-D741 WeakPolarHBondContact OD1-CA 3.01Å; D739-D741 WeakPolarHBondContact OD1-CB 3.25Å; D739-D741 PolarHBondContact OD1-N 3.32Å; D739-G742 PolarHBondContact O-N 2.79Å; D739-G742 PolarHBondContact OD1-N 2.93Å; D739-Y743 PolarHBondContact N-O 2.94Å; D739-Y743 PolarHBondContact OD1-N 2.85Å; D739-R745 VanDerWaalsContact CB-NH2 3.32Å; D739-R745 IonicContact OD2-CZ 3.44Å; D739-R745 IonicContact OD2-NE 3.24Å; D739-R745 PolarHBondContact OD2-NE 2.75Å; D739-R745 IonicContact OD2-NH2 2.71Å; D739-R745 PolarHBondContact OD2-NH2 3.5Å; D739-K875 IonicContact OD1-NZ 3.59Å; D739-K875 IonicContact OD2-NZ 3.45Å; D739-K875 PolarHBondContact OD2-NZ 2.93Å; D739-P883 WeakPolarHBondContact O-CG 3.3Å
740	A	94.1	Very high	93.6	Very high	55 Å²	55	21.4 Å²	21.4	46%	0.455	12%	0.119	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-21.1	-178.2	0	0	0	0	0	113.6	P689 I885	P689-A740 HydrophobicContact CG-CB 3.79Å; A740-I885 HydrophobicContact CB-CD1 4.04Å
741	D	94.8	Very high	93.4	Very high	89 Å²	89	21.8 Å²	21.8	48%	0.476	12%	0.122	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.6	-4.2	-179.6	-47.9	-45.2	0	0	0	111.9	D739 Y743 K875 P879 L882	D739-D741 PolarHBondContact O-N 3.42Å; D739-D741 VanDerWaalsContact O-N 3.13Å; D739-D741 WeakPolarHBondContact OD1-CA 3.01Å; D739-D741 WeakPolarHBondContact OD1-CB 3.25Å; D739-D741 PolarHBondContact OD1-N 3.32Å; D741-Y743 HydrophobicContact CB-CD2 3.82Å; D741-Y743 HydrophobicContact CB-CE2 4.08Å; D741-K875 IonicContact OD2-NZ 2.86Å; D741-K875 PolarHBondContact OD2-NZ 3.03Å; D741-P879 WeakPolarHBondContact O-CG 3.33Å; D741-L882 WeakPolarHBondContact O-CD2 3.42Å
742	G	94.9	Very high	93.2	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	13%	0.125	C	C	.	.	S	Bend	trans	90.8	9.4	-178.8	0	0	0	0	0	115.6	D739	D739-G742 PolarHBondContact O-N 2.79Å; D739-G742 PolarHBondContact OD1-N 2.93Å
743	Y	97.4	Very high	93.3	Very high	10 Å²	10	25.3 Å²	25.3	4%	0.039	14%	0.138	C	C	.	.			trans	-92.6	149.3	177.4	-66.4	-104.5	0	0	0	111.7	F667 F709 M738 D739 D741 L872 K875 L877 P879	F667-Y743 AromaticContact CE1-CD1 3.67Å; F667-Y743 HydrophobicContact CE1-CD1 3.67Å; F667-Y743 HydrophobicContact CE1-CE1 4.41Å; F667-Y743 HydrophobicContact CE1-CG 4.37Å; F667-Y743 HydrophobicContact CZ-CD1 4.26Å; F709-Y743 HydrophobicContact CE1-CD1 4.02Å; F709-Y743 HydrophobicContact CE1-CE1 4.41Å; F709-Y743 AromaticContact CZ-CD1 3.74Å; F709-Y743 HydrophobicContact CZ-CD1 3.74Å; F709-Y743 AromaticContact CZ-CE1 3.68Å; F709-Y743 HydrophobicContact CZ-CE1 3.68Å; M738-Y743 CarbonylContact C-O 3.56Å; M738-Y743 WeakPolarHBondContact CA-O 3.23Å; D739-Y743 PolarHBondContact N-O 2.94Å; D739-Y743 PolarHBondContact OD1-N 2.85Å; D741-Y743 HydrophobicContact CB-CD2 3.82Å; D741-Y743 HydrophobicContact CB-CE2 4.08Å; Y743-L872 HydrophobicContact CE1-CD1 4.27Å; Y743-K875 HydrophobicContact CD1-CG 4.3Å; Y743-K875 HydrophobicContact CD2-CD 4.43Å; Y743-K875 HydrophobicContact CE1-CB 4.14Å; Y743-K875 HydrophobicContact CE1-CG 3.99Å; Y743-K875 HydrophobicContact CE2-CB 4.33Å; Y743-K875 HydrophobicContact CE2-CD 4.45Å; Y743-K875 HydrophobicContact CE2-CG 4.45Å; Y743-K875 HydrophobicContact CG-CD 4.48Å; Y743-K875 VanDerWaalsContact OH-CA 3.28Å; Y743-K875 WeakPolarHBondContact OH-CA 3.47Å; Y743-K875 PolarHBondContact OH-O 3.02Å; Y743-L877 PolarHBondContact OH-O 3.35Å; Y743-P879 HydrophobicContact CD1-CG 4.24Å; Y743-P879 HydrophobicContact CD2-CG 3.41Å; Y743-P879 VanDerWaalsContact CD2-CG 3.41Å; Y743-P879 HydrophobicContact CE1-CG 4.12Å; Y743-P879 HydrophobicContact CE2-CG 3.26Å; Y743-P879 HydrophobicContact CG-CG 3.96Å
744	V	97.2	Very high	93.5	Very high	1 Å²	1	27.7 Å²	27.7	1%	0.006	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	140.3	-178.4	172.6	0	0	0	0	111.1	F667 L693 Y710 C713 V714 L736 L737	F667-V744 WeakPolarHBondContact CD1-O 3.35Å; L693-V744 HydrophobicContact CD1-CG1 4.19Å; L693-V744 HydrophobicContact CD1-CG2 3.96Å; L693-V744 HydrophobicContact CD2-CG2 3.83Å; L693-V744 HydrophobicContact CG-CG2 4.13Å; Y710-V744 HydrophobicContact CD1-CB 4.46Å; Y710-V744 HydrophobicContact CD1-CG2 3.4Å; Y710-V744 VanDerWaalsContact CD1-CG2 3.4Å; Y710-V744 HydrophobicContact CE1-CG2 3.94Å; Y710-V744 HydrophobicContact CG-CG2 3.89Å; C713-V744 HydrophobicContact CB-CB 4.27Å; V714-V744 HydrophobicContact CG2-CG1 4.27Å; L736-V744 HydrophobicContact CB-CG1 3.83Å; L736-V744 HydrophobicContact CD2-CG1 4.01Å; L736-V744 HydrophobicContact CG-CG1 4.34Å; L737-V744 CarbonylContact O-C 3.52Å; L737-V744 WeakPolarHBondContact O-CA 3.43Å
745	R	97.3	Very high	93.8	Very high	44 Å²	44	26.6 Å²	26.6	17%	0.166	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	135.7	174.6	-51.1	-171.5	-173.8	148.4	1	111.2	P666 F667 V669 L737 D739	P666-R745 WeakPolarHBondContact O-CD 3.35Å; P666-R745 WeakPolarHBondContact O-CG 3.41Å; P666-R745 PolarHBondContact O-NE 3.36Å; F667-R745 CarbonylContact O-C 3.55Å; F667-R745 VanDerWaalsContact O-CA 3.27Å; F667-R745 WeakPolarHBondContact O-CA 3.49Å; V669-R745 HydrophobicContact CG2-CB 4.01Å; L737-R745 PolarHBondContact N-O 2.98Å; L737-R745 PolarHBondContact O-N 3.04Å; D739-R745 VanDerWaalsContact CB-NH2 3.32Å; D739-R745 IonicContact OD2-CZ 3.44Å; D739-R745 IonicContact OD2-NE 3.24Å; D739-R745 PolarHBondContact OD2-NE 2.75Å; D739-R745 IonicContact OD2-NH2 2.71Å; D739-R745 PolarHBondContact OD2-NH2 3.5Å
746	I	97.8	Very high	93.9	Very high	1 Å²	1	25.9 Å²	25.9	1%	0.005	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	136.4	172.3	-46.1	-179.4	0	0	0	109.4	F667 L668 V669 V714 L718 Y728 L736 F749	F667-I746 PolarHBondContact O-N 2.69Å; L668-I746 HydrophobicContact CD2-CB 3.74Å; L668-I746 HydrophobicContact CD2-CD1 3.9Å; L668-I746 HydrophobicContact CD2-CG1 3.98Å; V669-I746 PolarHBondContact N-O 2.97Å; V714-I746 HydrophobicContact CG1-CD1 4.26Å; L718-I746 HydrophobicContact CD2-CD1 4.3Å; L718-I746 HydrophobicContact CG-CD1 4.36Å; Y728-I746 HydrophobicContact CD1-CG2 4.45Å; Y728-I746 HydrophobicContact CD2-CG2 4.05Å; Y728-I746 HydrophobicContact CE1-CG2 3.8Å; Y728-I746 HydrophobicContact CE2-CG2 3.39Å; Y728-I746 WeakPolarHBondContact OH-CG2 3.08Å; L736-I746 HydrophobicContact CD2-CB 4.35Å; L736-I746 HydrophobicContact CD2-CG1 3.86Å; I746-F749 HydrophobicContact CG2-CE1 4.28Å; I746-F749 WeakPolarHBondContact O-CZ 3.5Å
747	A	93.4	Very high	93.9	Very high	9 Å²	9	26.1 Å²	26.1	7%	0.074	15%	0.152	C	C	.	.			trans	-137.1	161.1	-175.7	0	0	0	0	0	112.2	V669 Y728 N735 L737	V669-A747 HydrophobicContact CB-CB 4.33Å; V669-A747 HydrophobicContact CG2-CB 3.69Å; Y728-A747 PolarHBondContact OH-O 3.21Å; N735-A747 PolarHBondContact O-N 2.96Å; L737-A747 HydrophobicContact CD1-CB 3.66Å; L737-A747 HydrophobicContact CG-CB 3.83Å
748	D	89.1	Confident	93.8	Very high	57 Å²	57	28.5 Å²	28.5	31%	0.305	16%	0.162	S	C	.	.			trans	58.6	89.7	-171.7	-154.3	-31.5	0	0	0	113.8	K634 Y728 G750	K634-D748 WeakPolarHBondContact CE-OD2 3.29Å; K634-D748 VanDerWaalsContact NZ-CG 3.25Å; K634-D748 IonicContact NZ-OD1 2.67Å; K634-D748 PolarHBondContact NZ-OD1 2.89Å; K634-D748 IonicContact NZ-OD2 3.37Å; K634-D748 PolarHBondContact NZ-OD2 2.99Å; Y728-D748 PolarHBondContact OH-O 2.94Å; D748-G750 PolarHBondContact O-N 2.85Å; D748-G750 PolarHBondContact OD1-N 2.9Å
749	F	90.8	Very high	93.7	Very high	2 Å²	2	31 Å²	31	1%	0.009	19%	0.189	C	C	.	.			trans	-88.5	13.5	177.4	-56	-77.1	0	0	0	112.6	E653 I656 F657 I660 L668 L721 Y728 I746 L751 C752	E653-F749 HydrophobicContact CG-CB 4.3Å; I656-F749 HydrophobicContact CG2-CB 4.03Å; I656-F749 HydrophobicContact CG2-CD1 4.24Å; I656-F749 HydrophobicContact CG2-CG 4.1Å; F657-F749 AromaticContact CD1-CD2 3.97Å; F657-F749 HydrophobicContact CD1-CD2 3.97Å; F657-F749 HydrophobicContact CD1-CE2 4.13Å; F657-F749 AromaticContact CE1-CD2 3.51Å; F657-F749 HydrophobicContact CE1-CD2 3.51Å; F657-F749 AromaticContact CE1-CE2 3.62Å; F657-F749 HydrophobicContact CE1-CE2 3.62Å; F657-F749 HydrophobicContact CE2-CD2 4.24Å; F657-F749 AromaticContact CZ-CD2 3.67Å; F657-F749 HydrophobicContact CZ-CD2 3.67Å; F657-F749 HydrophobicContact CZ-CE2 4.17Å; I660-F749 HydrophobicContact CD1-CD1 4.14Å; I660-F749 HydrophobicContact CD1-CD2 4.03Å; I660-F749 HydrophobicContact CD1-CE1 3.81Å; I660-F749 HydrophobicContact CD1-CE2 3.68Å; I660-F749 HydrophobicContact CD1-CG 4.27Å; I660-F749 HydrophobicContact CD1-CZ 3.57Å; L668-F749 HydrophobicContact CB-CZ 4.15Å; L668-F749 HydrophobicContact CD2-CE1 4.11Å; L668-F749 HydrophobicContact CD2-CZ 4.09Å; L721-F749 HydrophobicContact CD1-CE1 4.35Å; Y728-F749 AromaticContact CD2-CD1 3.93Å; Y728-F749 HydrophobicContact CD2-CD1 3.93Å; Y728-F749 HydrophobicContact CD2-CE1 4.18Å; Y728-F749 AromaticContact CE2-CD1 3.67Å; Y728-F749 HydrophobicContact CE2-CD1 3.67Å; Y728-F749 AromaticContact CE2-CE1 3.87Å; Y728-F749 HydrophobicContact CE2-CE1 3.87Å; I746-F749 HydrophobicContact CG2-CE1 4.28Å; I746-F749 WeakPolarHBondContact O-CZ 3.5Å; F749-L751 PolarHBondContact O-N 2.82Å; F749-L751 VanDerWaalsContact O-N 3.07Å; F749-C752 VanDerWaalsContact CA-SG 3.52Å; F749-C752 WeakPolarHBondContact O-CB 3.48Å; F749-C752 PolarHBondContact O-N 2.95Å; F749-C752 VanDerWaalsContact O-N 3.12Å; F749-C752 PolarHBondContact O-SG 2.9Å; F749-C752 VanDerWaalsContact O-SG 3.39Å
750	G	87.5	Confident	93.8	Very high	7 Å²	7	34.4 Å²	34.4	7%	0.072	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.9	9	-174.9	0	0	0	0	0	116	R492 E653 D748	R492-G750 PolarHBondContact NH1-O 2.83Å; R492-G750 PolarHBondContact NH2-O 3.39Å; E653-G750 WeakPolarHBondContact OE2-CA 3.15Å; D748-G750 PolarHBondContact O-N 2.85Å; D748-G750 PolarHBondContact OD1-N 2.9Å
751	L	87.6	Confident	93.8	Very high	27 Å²	27	37 Å²	37	14%	0.141	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-126.6	1.9	168.9	-76.5	-178.5	0	0	0	113.5	Y728 R729 D730 F749 C766	Y728-L751 CarbonylContact O-C 3.56Å; R729-L751 VanDerWaalsContact CZ-O 3.23Å; R729-L751 PolarHBondContact NE-O 2.92Å; R729-L751 PolarHBondContact NH2-O 2.91Å; D730-L751 HydrophobicContact CB-CB 4.26Å; D730-L751 HydrophobicContact CB-CD1 3.88Å; F749-L751 PolarHBondContact O-N 2.82Å; F749-L751 VanDerWaalsContact O-N 3.07Å; L751-C766 HydrophobicContact CD2-CB 4.02Å
752	C	92.3	Very high	93.5	Very high	10 Å²	10	33.6 Å²	33.6	7%	0.068	19%	0.187	C	C	.	.			trans	-70	168.7	-179.2	-56.7	0	0	0	0	112.8	I656 I726 V727 Y728 R729 F749	I656-C752 HydrophobicContact CD1-CB 3.46Å; I656-C752 VanDerWaalsContact CD1-CB 3.46Å; I726-C752 HydrophobicContact CG2-CB 4.03Å; V727-C752 CarbonylContact O-C 3.54Å; V727-C752 WeakPolarHBondContact O-CA 3.49Å; V727-C752 WeakPolarHBondContact O-CB 3.42Å; Y728-C752 WeakPolarHBondContact CD2-SG 3.24Å; Y728-C752 WeakPolarHBondContact O-CA 3.27Å; Y728-C752 PolarHBondContact O-SG 3.28Å; R729-C752 PolarHBondContact NH2-O 3.08Å; F749-C752 VanDerWaalsContact CA-SG 3.52Å; F749-C752 WeakPolarHBondContact O-CB 3.48Å; F749-C752 PolarHBondContact O-N 2.95Å; F749-C752 VanDerWaalsContact O-N 3.12Å; F749-C752 PolarHBondContact O-SG 2.9Å; F749-C752 VanDerWaalsContact O-SG 3.39Å
753	K	92.4	Very high	93	Very high	89 Å²	89	37.9 Å²	37.9	39%	0.387	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	118	176.8	-177.1	63.5	178.8	179	0	112.2	I726 V727 M756	I726-K753 WeakPolarHBondContact CA-O 3.38Å; V727-K753 HydrophobicContact CG1-CB 3.84Å; V727-K753 PolarHBondContact N-O 2.93Å; V727-K753 VanDerWaalsContact N-O 3.09Å; V727-K753 PolarHBondContact O-N 3.47Å; K753-M756 HydrophobicContact CB-CG 4.26Å; K753-M756 HydrophobicContact CG-CG 3.88Å
754	E	93.8	Very high	92.1	Very high	51 Å²	51	39.2 Å²	39.2	24%	0.238	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	154.2	168.3	-62.4	166.1	120.1	0	0	111.8	C652 R655 I656 Q725 I726	C652-E754 PolarHBondContact SG-OE2 3.49Å; C652-E754 VanDerWaalsContact SG-OE2 3.33Å; R655-E754 VanDerWaalsContact CB-OE1 3.31Å; R655-E754 WeakPolarHBondContact CB-OE1 3.49Å; R655-E754 IonicContact CZ-OE2 3.75Å; R655-E754 VanDerWaalsContact CZ-OE2 3.22Å; R655-E754 IonicContact NE-OE1 3.05Å; R655-E754 PolarHBondContact NE-OE1 2.9Å; R655-E754 IonicContact NE-OE2 2.97Å; R655-E754 PolarHBondContact NE-OE2 3.37Å; R655-E754 IonicContact NH2-OE2 2.65Å; R655-E754 PolarHBondContact NH2-OE2 3.42Å; I656-E754 HydrophobicContact CD1-CG 4.11Å; I656-E754 HydrophobicContact CG1-CG 3.85Å; Q725-E754 CarbonylContact O-C 3.59Å; I726-E754 HydrophobicContact CG1-CG 4.19Å
755	G	94.7	Very high	91.2	Very high	44 Å²	44	42.4 Å²	42.4	45%	0.454	24%	0.24	S	C	.	.	S	Bend	trans	82	26.2	178.5	0	0	0	0	0	113.9	Q725	Q725-G755 PolarHBondContact O-N 3.45Å
756	M	96.1	Very high	90.3	Very high	5 Å²	5	41.1 Å²	41.1	3%	0.025	24%	0.238	C	C	.	.			trans	-115.1	72.1	-177.3	-70.4	-67.9	-57.4	0	0	110.4	Q725 V727 K753 D760 T762	Q725-M756 PolarHBondContact O-N 2.92Å; V727-M756 HydrophobicContact CB-CB 4.05Å; V727-M756 HydrophobicContact CB-CG 4.45Å; V727-M756 HydrophobicContact CG1-CB 3.78Å; V727-M756 HydrophobicContact CG1-CE 4.39Å; V727-M756 HydrophobicContact CG1-CG 3.64Å; K753-M756 HydrophobicContact CB-CG 4.26Å; K753-M756 HydrophobicContact CG-CG 3.88Å; M756-D760 WeakPolarHBondContact CE-O 3.29Å; M756-D760 HydrophobicContact SD-CB 4.32Å; M756-T762 HydrophobicContact CE-CG2 3.93Å; M756-T762 HydrophobicContact SD-CG2 3.99Å
757	G	94.8	Very high	89.3	Confident	6 Å²	6	42 Å²	42	6%	0.062	25%	0.247	C	C	.	.			trans	-78.7	-165.1	171.7	0	0	0	0	0	113.2	G759 D760	G757-G759 PolarHBondContact O-N 3.48Å; G757-D760 WeakPolarHBondContact CA-OD2 3.41Å; G757-D760 PolarHBondContact N-OD2 2.93Å; G757-D760 PolarHBondContact O-N 2.75Å
758	H	95.3	Very high	88.6	Confident	88 Å²	88	42.8 Å²	42.8	41%	0.407	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.6	113.8	177.4	174.8	81.2	0	0	0	110.8	S850 G851 K852	H758-S850 PolarHBondContact CE1-O 2.99Å; H758-G851 PolarHBondContact ND1-O 3.15Å; H758-K852 VanDerWaalsContact NE2-CG 3.33Å; H758-K852 WeakPolarHBondContact NE2-CG 3.16Å
759	G	92	Very high	88.2	Confident	54 Å²	54	40.9 Å²	40.9	56%	0.557	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	96.5	-11.2	-179.7	0	0	0	0	0	114.4	G757	G757-G759 PolarHBondContact O-N 3.48Å
760	D	96.8	Very high	87.8	Confident	73 Å²	73	42.2 Å²	42.2	39%	0.39	25%	0.248	S	C	.	.			trans	-69.4	148.2	172.2	-63.7	-55.6	0	0	0	111	M756 G757	M756-D760 WeakPolarHBondContact CE-O 3.29Å; M756-D760 HydrophobicContact SD-CB 4.32Å; G757-D760 WeakPolarHBondContact CA-OD2 3.41Å; G757-D760 PolarHBondContact N-OD2 2.93Å; G757-D760 PolarHBondContact O-N 2.75Å
761	R	93.8	Very high	87.9	Confident	109 Å²	109	41.9 Å²	41.9	41%	0.411	25%	0.245	S	C	.	.			trans	-133.2	146.4	-172.9	-60.3	-170	75.7	114.7	-5.8	112.6	E779 S781 Y782 T783	R761-E779 IonicContact CZ-OE2 3.09Å; R761-E779 IonicContact NH2-OE2 3.49Å; R761-E779 PolarHBondContact NH2-OE2 3.44Å; R761-S781 PolarHBondContact NE-OG 3.15Å; R761-S781 PolarHBondContact NH2-O 3.23Å; R761-Y782 VanDerWaalsContact CA-O 3.26Å; R761-Y782 WeakPolarHBondContact CA-O 3.47Å; R761-T783 HydrophobicContact CG-CG2 4.04Å
762	T	88.8	Confident	88	Confident	18 Å²	18	40.9 Å²	40.9	11%	0.11	24%	0.239	C	C	.	.	B	Isolated β-bridge	trans	-135.1	155.2	173.4	-168	0	0	0	0	111.3	M756 T764 S781 Y782	M756-T762 HydrophobicContact CE-CG2 3.93Å; M756-T762 HydrophobicContact SD-CG2 3.99Å; T762-T764 PolarHBondContact OG1-OG1 3.26Å; T762-S781 CarbonylContact O-C 3.48Å; T762-S781 WeakPolarHBondContact O-CA 3.44Å; T762-S781 VanDerWaalsContact O-CB 3.31Å; T762-S781 WeakPolarHBondContact O-CB 3.25Å; T762-Y782 HydrophobicContact CG2-CD2 4.05Å; T762-Y782 HydrophobicContact CG2-CE1 4.33Å; T762-Y782 HydrophobicContact CG2-CE2 3.41Å; T762-Y782 VanDerWaalsContact CG2-CE2 3.41Å; T762-Y782 PolarHBondContact N-O 2.66Å; T762-Y782 PolarHBondContact O-N 2.82Å
763	S	83.6	Confident	88.1	Confident	90 Å²	90	40.4 Å²	40.4	63%	0.629	24%	0.237	S	C	*	.			trans	-115.8	12.9	-175.6	58.7	0	0	0	0	113.6	F765 N780	S763-F765 PolarHBondContact O-N 3.41Å; S763-N780 WeakPolarHBondContact CB-O 3.35Å
764	T	79.1	Confident	88.1	Confident	39 Å²	39	36.5 Å²	36.5	24%	0.239	22%	0.22	C	C	.	.			trans	-70.2	109.5	-178.6	-48.9	0	0	0	0	110.9	A493 R729 T762 C766 Y782	A493-T764 HydrophobicContact CB-CG2 3.26Å; R729-T764 VanDerWaalsContact NH1-CB 3.32Å; T762-T764 PolarHBondContact OG1-OG1 3.26Å; T764-C766 HydrophobicContact CG2-CB 4.34Å; T764-C766 PolarHBondContact O-N 3.5Å; T764-C766 VanDerWaalsContact O-N 3.15Å; T764-Y782 VanDerWaalsContact O-CE1 3.27Å; T764-Y782 WeakPolarHBondContact O-CE1 3.3Å; T764-Y782 PolarHBondContact O-OH 2.81Å
765	F	78.6	Confident	88	Confident	68 Å²	68	34.1 Å²	34.1	30%	0.298	21%	0.209	S	C	.	.			trans	-72.6	106.5	172.6	-169.8	-92.9	0	0	0	110.5	M496 S763 L772 V776 L777	M496-F765 HydrophobicContact SD-CD1 4.15Å; S763-F765 PolarHBondContact O-N 3.41Å; F765-L772 HydrophobicContact CE2-CD1 4.45Å; F765-L772 HydrophobicContact CZ-CD1 4.03Å; F765-V776 HydrophobicContact CD2-CG1 4.11Å; F765-V776 HydrophobicContact CE2-CG1 4.33Å; F765-L777 HydrophobicContact CE2-CD2 4.04Å; F765-L777 HydrophobicContact CZ-CD2 4.25Å
766	C	78.6	Confident	87.7	Confident	16 Å²	16	32.8 Å²	32.8	11%	0.108	19%	0.192	C	C	.	.			trans	-161.7	160.1	-179.1	60.5	0	0	0	0	111.9	R729 L751 T764 L772	R729-C766 VanDerWaalsContact CZ-SG 3.54Å; L751-C766 HydrophobicContact CD2-CB 4.02Å; T764-C766 HydrophobicContact CG2-CB 4.34Å; T764-C766 PolarHBondContact O-N 3.5Å; T764-C766 VanDerWaalsContact O-N 3.15Å; C766-L772 WeakPolarHBondContact O-CD2 3.48Å
767	G	77.4	Confident	87	Confident	20 Å²	20	34.4 Å²	34.4	21%	0.206	20%	0.2	C	C	.	.	S	Bend	trans	131	-172	-179.7	0	0	0	0	0	110.7	R729	R729-G767 WeakPolarHBondContact O-CA 3.48Å
768	T	77.9	Confident	86.1	Confident	25 Å²	25	38.2 Å²	38.2	15%	0.153	22%	0.223	C	C	.	.			trans	-99.4	127.7	176	-60.5	0	0	0	0	109.7	D730 K732 E770 F771 L772	D730-T768 PolarHBondContact OD1-OG1 2.86Å; K732-T768 HydrophobicContact CD-CG2 4.31Å; K732-T768 PolarHBondContact NZ-OG1 3.23Å; T768-E770 PolarHBondContact O-N 3.07Å; T768-E770 VanDerWaalsContact O-N 3.11Å; T768-F771 HydrophobicContact CG2-CD2 4.05Å; T768-F771 PolarHBondContact O-N 3.4Å; T768-L772 PolarHBondContact O-N 3.21Å
769	P	79.7	Confident	85.1	Confident	18 Å²	18	37.9 Å²	37.9	12%	0.117	22%	0.221	C	C	.	.	G	3₁₀ helix	trans	-46.7	-47.1	-165.4	-35.1	37.3	0	0	0	117	F482 F771 L772 F814 I817	F482-P769 HydrophobicContact CZ-CG 4.36Å; P769-F771 VanDerWaalsContact C-N 3.29Å; P769-F771 PolarHBondContact O-N 3.47Å; P769-L772 PolarHBondContact O-N 2.84Å; P769-F814 HydrophobicContact CB-CE1 3.82Å; P769-F814 HydrophobicContact CB-CZ 4.15Å; P769-I817 VanDerWaalsContact O-CD1 3.28Å; P769-I817 WeakPolarHBondContact O-CD1 3.16Å
770	E	82.2	Confident	84.1	Confident	29 Å²	29	42.9 Å²	42.9	14%	0.136	24%	0.235	C	C	.	.	G	3₁₀ helix	trans	-76.6	-10.4	-177.6	69.7	-142.6	128.6	0	0	114.7	Q478 T768 V813	Q478-E770 WeakPolarHBondContact CG-OE1 3.46Å; Q478-E770 VanDerWaalsContact CG-OE2 3.27Å; Q478-E770 WeakPolarHBondContact CG-OE2 3.03Å; Q478-E770 PolarHBondContact NE2-OE1 3.33Å; Q478-E770 PolarHBondContact NE2-OE2 3.14Å; T768-E770 PolarHBondContact O-N 3.07Å; T768-E770 VanDerWaalsContact O-N 3.11Å; E770-V813 HydrophobicContact CB-CG1 4.16Å
771	F	90.2	Very high	83.7	Confident	1 Å²	1	41 Å²	41	0%	0.004	23%	0.228	C	C	.	.	G	3₁₀ helix	trans	-100	-12.5	175.2	-71.7	-93.5	0	0	0	113	L731 K732 T768 P769 A773 W789 E790 V793 E797	L731-F771 WeakPolarHBondContact O-CD1 3.17Å; L731-F771 WeakPolarHBondContact O-CE1 3.14Å; K732-F771 HydrophobicContact CB-CD1 4.35Å; K732-F771 HydrophobicContact CB-CD2 3.93Å; K732-F771 HydrophobicContact CB-CE1 3.98Å; K732-F771 HydrophobicContact CB-CE2 3.53Å; K732-F771 HydrophobicContact CB-CG 4.33Å; K732-F771 HydrophobicContact CB-CZ 3.56Å; T768-F771 HydrophobicContact CG2-CD2 4.05Å; T768-F771 PolarHBondContact O-N 3.4Å; P769-F771 VanDerWaalsContact C-N 3.29Å; P769-F771 PolarHBondContact O-N 3.47Å; F771-A773 PolarHBondContact O-N 3.5Å; F771-W789 VanDerWaalsContact O-CD1 3.23Å; F771-W789 PolarHBondContact O-NE1 2.98Å; F771-E790 HydrophobicContact CB-CG 4.4Å; F771-V793 HydrophobicContact CD1-CB 3.82Å; F771-V793 HydrophobicContact CD1-CG1 3.48Å; F771-V793 VanDerWaalsContact CD1-CG1 3.48Å; F771-V793 HydrophobicContact CE1-CB 4.14Å; F771-V793 HydrophobicContact CE1-CG1 3.57Å; F771-V793 HydrophobicContact CG-CG1 4.13Å; F771-V793 HydrophobicContact CZ-CG1 4.26Å; F771-E797 VanDerWaalsContact CZ-OE2 3.31Å; F771-E797 WeakPolarHBondContact CZ-OE2 3.37Å
772	L	90.1	Very high	83.6	Confident	5 Å²	5	36.1 Å²	36.1	3%	0.026	21%	0.209	C	C	.	.			trans	-59.3	135	-175.5	-66.3	-178	0	0	0	111.9	F765 C766 T768 P769 V776 L777 W789 F814 I817	F765-L772 HydrophobicContact CE2-CD1 4.45Å; F765-L772 HydrophobicContact CZ-CD1 4.03Å; C766-L772 WeakPolarHBondContact O-CD2 3.48Å; T768-L772 PolarHBondContact O-N 3.21Å; P769-L772 PolarHBondContact O-N 2.84Å; L772-V776 HydrophobicContact CD2-CG1 4.31Å; L772-L777 HydrophobicContact CB-CD2 4.33Å; L772-L777 HydrophobicContact CB-CG 4.44Å; L772-L777 HydrophobicContact CD1-CD2 3.74Å; L772-W789 PolarHBondContact O-NE1 3.31Å; L772-W789 VanDerWaalsContact O-NE1 3.08Å; L772-F814 HydrophobicContact CD1-CE1 4Å; L772-I817 WeakPolarHBondContact O-CG2 3.48Å
773	A	93.8	Very high	84	Confident	1 Å²	1	36.3 Å²	36.3	1%	0.008	21%	0.211	C	C	.	.			trans	-74.8	148.4	174	0	0	0	0	0	111.1	F771 E775 V776 V786 W789	F771-A773 PolarHBondContact O-N 3.5Å; A773-E775 WeakPolarHBondContact CB-OE2 3.41Å; A773-E775 PolarHBondContact O-N 2.85Å; A773-E775 VanDerWaalsContact O-N 3.14Å; A773-V776 HydrophobicContact CB-CG2 4.24Å; A773-V776 WeakPolarHBondContact O-CB 3.4Å; A773-V776 PolarHBondContact O-N 2.92Å; A773-V786 HydrophobicContact CB-CB 4.17Å; A773-V786 HydrophobicContact CB-CG1 3.95Å; A773-W789 VanDerWaalsContact CA-CD1 3.47Å; A773-W789 HydrophobicContact CB-CB 3.78Å; A773-W789 HydrophobicContact CB-CD2 4.2Å; A773-W789 HydrophobicContact CB-CG 3.63Å
774	P	92.7	Very high	84.6	Confident	6 Å²	6	33 Å²	33	4%	0.039	18%	0.184	C	C	.	.	H	α-helix	trans	-59.7	-31.1	-174.9	-25.6	36.1	0	0	0	113.3	V776 L777 T778 W789 I817 K842	P774-V776 VanDerWaalsContact C-N 3.26Å; P774-V776 PolarHBondContact O-N 3.31Å; P774-L777 PolarHBondContact O-N 3.34Å; P774-L777 VanDerWaalsContact O-N 3.15Å; P774-T778 WeakPolarHBondContact O-CB 3.3Å; P774-T778 PolarHBondContact O-N 2.89Å; P774-T778 PolarHBondContact O-OG1 3.46Å; P774-W789 HydrophobicContact CG-CE3 4.33Å; P774-W789 HydrophobicContact CG-CH2 3.44Å; P774-W789 VanDerWaalsContact CG-CH2 3.44Å; P774-W789 HydrophobicContact CG-CZ2 3.79Å; P774-W789 HydrophobicContact CG-CZ3 3.75Å; P774-I817 HydrophobicContact CB-CG2 4.4Å; P774-I817 HydrophobicContact CG-CG2 3.88Å; P774-K842 HydrophobicContact CB-CB 4.47Å; P774-K842 HydrophobicContact CG-CB 4.1Å; P774-K842 HydrophobicContact CG-CD 4.48Å; P774-K842 HydrophobicContact CG-CG 4.15Å
775	E	92.3	Very high	85.5	Confident	2 Å²	2	31.2 Å²	31.2	1%	0.009	17%	0.173	C	C	.	.	H	α-helix	trans	-65.9	-24.9	175.2	67.7	-95.1	-144.1	0	0	113.3	A773 L777 E779 S785 V786 P844 R847	A773-E775 WeakPolarHBondContact CB-OE2 3.41Å; A773-E775 PolarHBondContact O-N 2.85Å; A773-E775 VanDerWaalsContact O-N 3.14Å; E775-L777 VanDerWaalsContact C-N 3.31Å; E775-E779 HydrophobicContact CB-CB 4.35Å; E775-E779 HydrophobicContact CB-CG 4.08Å; E775-E779 WeakPolarHBondContact O-CA 3.38Å; E775-E779 WeakPolarHBondContact O-CB 3.31Å; E775-E779 PolarHBondContact O-N 3.12Å; E775-S785 PolarHBondContact OE1-OG 3.38Å; E775-V786 HydrophobicContact CG-CG1 4.2Å; E775-P844 HydrophobicContact CB-CG 4.35Å; E775-P844 HydrophobicContact CG-CG 4.47Å; E775-R847 IonicContact OE1-CZ 3.87Å; E775-R847 IonicContact OE1-NH1 3.48Å; E775-R847 PolarHBondContact OE1-NH1 3.26Å; E775-R847 IonicContact OE1-NH2 2.72Å; E775-R847 IonicContact OE2-CZ 2.63Å; E775-R847 IonicContact OE2-NH1 3.69Å; E775-R847 PolarHBondContact OE2-NH1 2.89Å; E775-R847 IonicContact OE2-NH2 2.81Å; E775-R847 PolarHBondContact OE2-NH2 3.08Å
776	V	88.9	Confident	86.4	Confident	15 Å²	15	28 Å²	28	9%	0.091	16%	0.16	C	C	.	.	H	α-helix	trans	-73.7	-27.3	174.7	-171.1	0	0	0	0	111.3	F765 L772 A773 P774 Y782 V786	F765-V776 HydrophobicContact CD2-CG1 4.11Å; F765-V776 HydrophobicContact CE2-CG1 4.33Å; L772-V776 HydrophobicContact CD2-CG1 4.31Å; A773-V776 HydrophobicContact CB-CG2 4.24Å; A773-V776 WeakPolarHBondContact O-CB 3.4Å; A773-V776 PolarHBondContact O-N 2.92Å; P774-V776 VanDerWaalsContact C-N 3.26Å; P774-V776 PolarHBondContact O-N 3.31Å; V776-Y782 HydrophobicContact CB-CD1 4.33Å; V776-Y782 HydrophobicContact CG1-CD1 4.28Å; V776-Y782 HydrophobicContact CG1-CE1 4.07Å; V776-Y782 HydrophobicContact CG2-CD1 3.81Å; V776-Y782 HydrophobicContact CG2-CD2 4.49Å; V776-Y782 HydrophobicContact CG2-CE1 4.15Å; V776-Y782 HydrophobicContact CG2-CG 4Å; V776-V786 HydrophobicContact CG2-CG1 3.67Å
777	L	81.4	Confident	87.3	Confident	39 Å²	39	27.3 Å²	27.3	20%	0.204	15%	0.154	C	C	.	.	H	α-helix	trans	-89.2	-23.8	178.3	-58.3	178.9	0	0	0	113.1	F765 L772 P774 E775 F814 I817 V818	F765-L777 HydrophobicContact CE2-CD2 4.04Å; F765-L777 HydrophobicContact CZ-CD2 4.25Å; L772-L777 HydrophobicContact CB-CD2 4.33Å; L772-L777 HydrophobicContact CB-CG 4.44Å; L772-L777 HydrophobicContact CD1-CD2 3.74Å; P774-L777 PolarHBondContact O-N 3.34Å; P774-L777 VanDerWaalsContact O-N 3.15Å; E775-L777 VanDerWaalsContact C-N 3.31Å; L777-F814 HydrophobicContact CD1-CB 4.11Å; L777-F814 HydrophobicContact CD1-CD1 3.85Å; L777-F814 HydrophobicContact CD1-CG 4.28Å; L777-F814 HydrophobicContact CD2-CD1 3.65Å; L777-F814 HydrophobicContact CD2-CE1 3.9Å; L777-F814 HydrophobicContact CD2-CG 4.13Å; L777-F814 HydrophobicContact CG-CD1 4.44Å; L777-I817 HydrophobicContact CD1-CB 3.95Å; L777-I817 HydrophobicContact CD1-CD1 4.27Å; L777-I817 HydrophobicContact CD1-CG2 3.59Å; L777-V818 HydrophobicContact CB-CG2 3.95Å; L777-V818 HydrophobicContact CD1-CG2 3.83Å
778	T	74.1	Confident	88.3	Confident	87 Å²	87	26.3 Å²	26.3	53%	0.534	15%	0.145	S	C	.	.	H	α-helix	trans	-126.3	-20.5	-167.1	61	0	0	0	0	115.9	P774 V818	P774-T778 WeakPolarHBondContact O-CB 3.3Å; P774-T778 PolarHBondContact O-N 2.89Å; P774-T778 PolarHBondContact O-OG1 3.46Å; T778-V818 HydrophobicContact CG2-CB 4.41Å; T778-V818 HydrophobicContact CG2-CG1 3.75Å; T778-V818 HydrophobicContact CG2-CG2 3.67Å
779	E	76.3	Confident	89.3	Confident	81 Å²	81	25.1 Å²	25.1	38%	0.379	14%	0.137	S	C	.	.	S	Bend	trans	-105.8	152.5	178.3	-62.8	-173.6	-147.9	0	0	112	R761 E775 S781	R761-E779 IonicContact CZ-OE2 3.09Å; R761-E779 IonicContact NH2-OE2 3.49Å; R761-E779 PolarHBondContact NH2-OE2 3.44Å; E775-E779 HydrophobicContact CB-CB 4.35Å; E775-E779 HydrophobicContact CB-CG 4.08Å; E775-E779 WeakPolarHBondContact O-CA 3.38Å; E775-E779 WeakPolarHBondContact O-CB 3.31Å; E775-E779 PolarHBondContact O-N 3.12Å; E779-S781 WeakPolarHBondContact CB-O 2.93Å; E779-S781 PolarHBondContact O-N 3.46Å; E779-S781 VanDerWaalsContact O-N 3.16Å
780	N	70.8	Confident	90.2	Very high	159 Å²	159	24.5 Å²	24.5	85%	0.85	13%	0.133	S	C	*	.	S	Bend	trans	-69.6	-7.9	175.9	-67.3	-43.9	0	0	0	113.7	S763	S763-N780 WeakPolarHBondContact CB-O 3.35Å
781	S	86.8	Confident	91	Very high	33 Å²	33	23.1 Å²	23.1	23%	0.231	13%	0.126	C	C	.	.			trans	-165.7	159.5	177.8	62.7	0	0	0	0	110.2	R761 T762 E779	R761-S781 PolarHBondContact NE-OG 3.15Å; R761-S781 PolarHBondContact NH2-O 3.23Å; T762-S781 CarbonylContact O-C 3.48Å; T762-S781 WeakPolarHBondContact O-CA 3.44Å; T762-S781 VanDerWaalsContact O-CB 3.31Å; T762-S781 WeakPolarHBondContact O-CB 3.25Å; E779-S781 WeakPolarHBondContact CB-O 2.93Å; E779-S781 PolarHBondContact O-N 3.46Å; E779-S781 VanDerWaalsContact O-N 3.16Å
782	Y	92.4	Very high	91.4	Very high	6 Å²	6	23.1 Å²	23.1	2%	0.024	13%	0.126	C	C	.	.	B	Isolated β-bridge	trans	-137.8	168.3	179.1	55.9	-95.2	0	0	0	111.5	R729 R761 T762 T764 V776 V786	R729-Y782 WeakPolarHBondContact CD-OH 3.42Å; R729-Y782 PolarHBondContact NH1-OH 3.36Å; R761-Y782 VanDerWaalsContact CA-O 3.26Å; R761-Y782 WeakPolarHBondContact CA-O 3.47Å; T762-Y782 HydrophobicContact CG2-CD2 4.05Å; T762-Y782 HydrophobicContact CG2-CE1 4.33Å; T762-Y782 HydrophobicContact CG2-CE2 3.41Å; T762-Y782 VanDerWaalsContact CG2-CE2 3.41Å; T762-Y782 PolarHBondContact N-O 2.66Å; T762-Y782 PolarHBondContact O-N 2.82Å; T764-Y782 VanDerWaalsContact O-CE1 3.27Å; T764-Y782 WeakPolarHBondContact O-CE1 3.3Å; T764-Y782 PolarHBondContact O-OH 2.81Å; V776-Y782 HydrophobicContact CB-CD1 4.33Å; V776-Y782 HydrophobicContact CG1-CD1 4.28Å; V776-Y782 HydrophobicContact CG1-CE1 4.07Å; V776-Y782 HydrophobicContact CG2-CD1 3.81Å; V776-Y782 HydrophobicContact CG2-CD2 4.49Å; V776-Y782 HydrophobicContact CG2-CE1 4.15Å; V776-Y782 HydrophobicContact CG2-CG 4Å; Y782-V786 HydrophobicContact CD2-CB 4.48Å; Y782-V786 HydrophobicContact CD2-CG1 3.52Å; Y782-V786 HydrophobicContact CD2-CG2 4.09Å; Y782-V786 HydrophobicContact CE2-CG1 4.27Å; Y782-V786 HydrophobicContact CE2-CG2 4.2Å; Y782-V786 HydrophobicContact CG-CG1 3.87Å
783	T	96.3	Very high	91.8	Very high	22 Å²	22	22.9 Å²	22.9	14%	0.135	13%	0.125	C	C	.	.			trans	-106.9	-173.2	179.5	83.7	0	0	0	0	111	R761 S785	R761-T783 HydrophobicContact CG-CG2 4.04Å; T783-S785 PolarHBondContact O-N 3.41Å; T783-S785 VanDerWaalsContact O-N 3.08Å; T783-S785 WeakPolarHBondContact OG1-CB 3.25Å; T783-S785 PolarHBondContact OG1-N 3.45Å; T783-S785 PolarHBondContact OG1-OG 2.71Å
784	R	96.7	Very high	91.9	Very high	21 Å²	21	22.8 Å²	22.8	8%	0.079	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-4.3	167.1	77.5	-175.1	-169.5	-157.5	-8.9	115.1	V727 V786 D787 G851 D854	V727-R784 HydrophobicContact CB-CB 4.19Å; V727-R784 HydrophobicContact CG2-CB 3.97Å; R784-V786 PolarHBondContact O-N 2.92Å; R784-V786 VanDerWaalsContact O-N 3.09Å; R784-D787 PolarHBondContact O-N 3.43Å; R784-G851 PolarHBondContact NH2-O 2.88Å; R784-D854 VanDerWaalsContact CZ-CG 3.47Å; R784-D854 IonicContact CZ-OD1 3.22Å; R784-D854 IonicContact NE-OD1 2.7Å; R784-D854 PolarHBondContact NE-OD1 2.88Å; R784-D854 VanDerWaalsContact NH2-CB 3.28Å; R784-D854 VanDerWaalsContact NH2-CG 3.27Å; R784-D854 IonicContact NH2-OD1 2.66Å; R784-D854 PolarHBondContact NH2-OD1 3.49Å
785	S	97.6	Very high	92.1	Very high	1 Å²	1	22.5 Å²	22.5	1%	0.007	12%	0.123	C	C	.	.	H	α-helix	trans	-52.4	-22.5	170.2	54.9	0	0	0	0	114.6	E775 T783 W788 W789 R847 S850	E775-S785 PolarHBondContact OE1-OG 3.38Å; T783-S785 PolarHBondContact O-N 3.41Å; T783-S785 VanDerWaalsContact O-N 3.08Å; T783-S785 WeakPolarHBondContact OG1-CB 3.25Å; T783-S785 PolarHBondContact OG1-N 3.45Å; T783-S785 PolarHBondContact OG1-OG 2.71Å; S785-W788 PolarHBondContact O-N 3.08Å; S785-W789 PolarHBondContact O-N 3.45Å; S785-R847 PolarHBondContact O-NH1 2.81Å; S785-S850 WeakPolarHBondContact CB-OG 3.44Å
786	V	98	Very high	92.3	Very high	2 Å²	2	22.8 Å²	22.8	1%	0.012	12%	0.124	C	C	.	.	H	α-helix	trans	-67.1	-43.2	-178.8	-58.3	0	0	0	0	112.3	V727 R729 A773 E775 V776 Y782 R784 W788 W789 E790	V727-V786 HydrophobicContact CG2-CG2 3.95Å; R729-V786 HydrophobicContact CG-CG2 4.08Å; A773-V786 HydrophobicContact CB-CB 4.17Å; A773-V786 HydrophobicContact CB-CG1 3.95Å; E775-V786 HydrophobicContact CG-CG1 4.2Å; V776-V786 HydrophobicContact CG2-CG1 3.67Å; Y782-V786 HydrophobicContact CD2-CB 4.48Å; Y782-V786 HydrophobicContact CD2-CG1 3.52Å; Y782-V786 HydrophobicContact CD2-CG2 4.09Å; Y782-V786 HydrophobicContact CE2-CG1 4.27Å; Y782-V786 HydrophobicContact CE2-CG2 4.2Å; Y782-V786 HydrophobicContact CG-CG1 3.87Å; R784-V786 PolarHBondContact O-N 2.92Å; R784-V786 VanDerWaalsContact O-N 3.09Å; V786-W788 PolarHBondContact O-N 2.89Å; V786-W789 WeakPolarHBondContact O-CA 3.28Å; V786-W789 WeakPolarHBondContact O-CB 3.45Å; V786-W789 PolarHBondContact O-N 3.08Å; V786-E790 WeakPolarHBondContact O-CG 3.37Å; V786-E790 PolarHBondContact O-N 2.85Å
787	D	98.6	Very high	92.5	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-61.4	-31.2	179.8	-68.4	5.7	0	0	0	111.8	L718 H722 V727 Y728 R729 R784 L791	L718-D787 HydrophobicContact CD1-CB 4.14Å; L718-D787 HydrophobicContact CD2-CB 4.1Å; H722-D787 IonicContact CD2-OD2 2.67Å; H722-D787 IonicContact NE2-OD2 3.83Å; H722-D787 PolarHBondContact NE2-OD2 2.84Å; V727-D787 VanDerWaalsContact CG2-OD1 3.24Å; V727-D787 WeakPolarHBondContact CG2-OD1 3.22Å; V727-D787 WeakPolarHBondContact CG2-OD2 3.44Å; Y728-D787 WeakPolarHBondContact CB-OD2 3.44Å; Y728-D787 PolarHBondContact N-OD1 3.09Å; Y728-D787 PolarHBondContact N-OD2 3.42Å; R729-D787 PolarHBondContact N-OD1 3.41Å; R784-D787 PolarHBondContact O-N 3.43Å; D787-L791 WeakPolarHBondContact O-CB 3.27Å; D787-L791 PolarHBondContact O-N 3.5Å
788	W	98.7	Very high	93.1	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-76.7	-27.2	175.4	-59.1	138	0	0	0	113.5	L715 L718 H722 S785 V786 L791 G792 L839 G849 D854 A855 I858	L715-W788 HydrophobicContact CG-CZ3 4.37Å; L718-W788 HydrophobicContact CB-CH2 3.69Å; L718-W788 HydrophobicContact CB-CZ3 3.79Å; L718-W788 HydrophobicContact CD1-CE3 3.84Å; L718-W788 HydrophobicContact CD1-CH2 4.25Å; L718-W788 HydrophobicContact CD1-CZ3 3.49Å; L718-W788 VanDerWaalsContact CD1-CZ3 3.49Å; L718-W788 HydrophobicContact CG-CZ3 4.31Å; H722-W788 AromaticContact CE1-CE2 3.47Å; H722-W788 VanDerWaalsContact CE1-CE2 3.47Å; H722-W788 AromaticContact CE1-CZ2 3.6Å; H722-W788 AromaticContact CE1-NE1 3.43Å; H722-W788 PolarHBondContact CE1-NE1 3.11Å; H722-W788 AromaticContact ND1-CE2 3.65Å; H722-W788 AromaticContact ND1-CZ2 3.41Å; H722-W788 WeakPolarHBondContact ND1-CZ2 3.38Å; H722-W788 AromaticContact ND1-NE1 3.64Å; S785-W788 PolarHBondContact O-N 3.08Å; V786-W788 PolarHBondContact O-N 2.89Å; W788-L791 HydrophobicContact CE3-CB 4.43Å; W788-L791 HydrophobicContact CE3-CD2 3.72Å; W788-L791 HydrophobicContact CZ3-CD2 3.83Å; W788-G792 PolarHBondContact O-N 3.17Å; W788-L839 HydrophobicContact CB-CD2 4.32Å; W788-G849 VanDerWaalsContact CD1-O 3.23Å; W788-G849 PolarHBondContact NE1-O 3.21Å; W788-G849 VanDerWaalsContact NE1-O 3.08Å; W788-D854 WeakPolarHBondContact CZ2-OD2 3.39Å; W788-D854 PolarHBondContact NE1-OD1 3.31Å; W788-A855 HydrophobicContact CH2-CB 3.68Å; W788-A855 HydrophobicContact CZ2-CB 3.76Å; W788-I858 HydrophobicContact CB-CD1 4.37Å; W788-I858 HydrophobicContact CD2-CD1 3.31Å; W788-I858 HydrophobicContact CE3-CD1 3.28Å; W788-I858 HydrophobicContact CG-CD1 3.82Å; W788-I858 HydrophobicContact CH2-CD1 4.13Å; W788-I858 HydrophobicContact CZ2-CD1 4.13Å; W788-I858 HydrophobicContact CZ3-CD1 3.71Å
789	W	98.6	Very high	93.8	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-70.3	-46.5	166.5	171.6	-83.1	0	0	0	110.9	F771 L772 A773 P774 S785 V786 L791 G792 V793 F805 I817 L840 K842	F771-W789 VanDerWaalsContact O-CD1 3.23Å; F771-W789 PolarHBondContact O-NE1 2.98Å; L772-W789 PolarHBondContact O-NE1 3.31Å; L772-W789 VanDerWaalsContact O-NE1 3.08Å; A773-W789 VanDerWaalsContact CA-CD1 3.47Å; A773-W789 HydrophobicContact CB-CB 3.78Å; A773-W789 HydrophobicContact CB-CD2 4.2Å; A773-W789 HydrophobicContact CB-CG 3.63Å; P774-W789 HydrophobicContact CG-CE3 4.33Å; P774-W789 HydrophobicContact CG-CH2 3.44Å; P774-W789 VanDerWaalsContact CG-CH2 3.44Å; P774-W789 HydrophobicContact CG-CZ2 3.79Å; P774-W789 HydrophobicContact CG-CZ3 3.75Å; S785-W789 PolarHBondContact O-N 3.45Å; V786-W789 WeakPolarHBondContact O-CA 3.28Å; V786-W789 WeakPolarHBondContact O-CB 3.45Å; V786-W789 PolarHBondContact O-N 3.08Å; W789-L791 VanDerWaalsContact C-N 3.26Å; W789-L791 PolarHBondContact O-N 3.19Å; W789-G792 CarbonylContact O-C 3.59Å; W789-G792 VanDerWaalsContact O-CA 3.31Å; W789-G792 WeakPolarHBondContact O-CA 3.45Å; W789-G792 PolarHBondContact O-N 2.87Å; W789-V793 PolarHBondContact O-N 3.05Å; W789-F805 HydrophobicContact CH2-CE1 4.4Å; W789-F805 AromaticContact CH2-CE2 3.81Å; W789-F805 HydrophobicContact CH2-CE2 3.81Å; W789-F805 AromaticContact CH2-CZ 3.45Å; W789-F805 HydrophobicContact CH2-CZ 3.45Å; W789-F805 VanDerWaalsContact CH2-CZ 3.45Å; W789-F805 HydrophobicContact CZ2-CD2 4.19Å; W789-F805 HydrophobicContact CZ2-CE1 4.47Å; W789-F805 AromaticContact CZ2-CE2 3.24Å; W789-F805 HydrophobicContact CZ2-CE2 3.24Å; W789-F805 AromaticContact CZ2-CZ 3.41Å; W789-F805 HydrophobicContact CZ2-CZ 3.41Å; W789-F805 VanDerWaalsContact CZ2-CZ 3.41Å; W789-I817 HydrophobicContact CZ2-CG2 4.06Å; W789-L840 HydrophobicContact CD2-CD2 3.79Å; W789-L840 HydrophobicContact CE3-CB 4.39Å; W789-L840 HydrophobicContact CE3-CD2 3.95Å; W789-L840 HydrophobicContact CG-CD2 4.29Å; W789-L840 HydrophobicContact CH2-CD2 4.4Å; W789-L840 HydrophobicContact CZ2-CD2 4.25Å; W789-L840 VanDerWaalsContact CZ3-C 3.47Å; W789-L840 HydrophobicContact CZ3-CB 4.14Å; W789-L840 HydrophobicContact CZ3-CD2 4.26Å; W789-L840 WeakPolarHBondContact CZ3-O 3.4Å; W789-K842 HydrophobicContact CH2-CG 4.27Å; W789-K842 HydrophobicContact CZ3-CG 4.24Å
790	E	98.4	Very high	94.3	Very high	4 Å²	4	13.7 Å²	13.7	2%	0.019	8%	0.075	C	C	.	.	H	α-helix	trans	-58.2	-38.8	176.9	-63.2	176.9	173.3	0	0	111.2	R729 D730 L731 F771 V786 G792 V793 L794	R729-E790 VanDerWaalsContact C-OE1 3.26Å; R729-E790 WeakPolarHBondContact CA-OE1 3.43Å; D730-E790 PolarHBondContact N-OE1 3.46Å; D730-E790 PolarHBondContact N-OE2 2.84Å; L731-E790 HydrophobicContact CB-CB 3.81Å; L731-E790 VanDerWaalsContact CB-OE2 3.3Å; L731-E790 WeakPolarHBondContact CB-OE2 3.5Å; L731-E790 HydrophobicContact CD2-CB 4.38Å; L731-E790 HydrophobicContact CG-CB 4.43Å; L731-E790 PolarHBondContact N-OE2 3.25Å; F771-E790 HydrophobicContact CB-CG 4.4Å; V786-E790 WeakPolarHBondContact O-CG 3.37Å; V786-E790 PolarHBondContact O-N 2.85Å; E790-G792 VanDerWaalsContact C-N 3.32Å; E790-G792 PolarHBondContact O-N 3.42Å; E790-V793 PolarHBondContact O-N 3.3Å; E790-L794 VanDerWaalsContact O-CB 3.31Å; E790-L794 WeakPolarHBondContact O-CB 3.48Å; E790-L794 PolarHBondContact O-N 3.06Å
791	L	98.7	Very high	94.8	Very high	1 Å²	1	6.4 Å²	6.4	1%	0.005	4%	0.038	C	C	.	.	H	α-helix	trans	-61.7	-36.9	171	-178.8	62.6	0	0	0	112.6	V714 L731 D787 W788 W789 L794 V795 L839	V714-L791 HydrophobicContact CG1-CD1 4.05Å; L731-L791 HydrophobicContact CD2-CB 4.13Å; L731-L791 HydrophobicContact CD2-CD1 4.41Å; D787-L791 WeakPolarHBondContact O-CB 3.27Å; D787-L791 PolarHBondContact O-N 3.5Å; W788-L791 HydrophobicContact CE3-CB 4.43Å; W788-L791 HydrophobicContact CE3-CD2 3.72Å; W788-L791 HydrophobicContact CZ3-CD2 3.83Å; W789-L791 VanDerWaalsContact C-N 3.26Å; W789-L791 PolarHBondContact O-N 3.19Å; L791-L794 HydrophobicContact CD1-CD2 4.26Å; L791-V795 HydrophobicContact CD1-CG2 4.29Å; L791-V795 WeakPolarHBondContact O-CB 3.25Å; L791-V795 VanDerWaalsContact O-CG2 3.29Å; L791-V795 WeakPolarHBondContact O-CG2 3.48Å; L791-V795 PolarHBondContact O-N 2.87Å; L791-L839 HydrophobicContact CD2-CD1 4.35Å; L791-L839 HydrophobicContact CG-CD1 4.15Å
792	G	98.4	Very high	94.6	Very high	0 Å²	0	8.2 Å²	8.2	0%	0	4%	0.042	C	C	.	.	H	α-helix	trans	-64.3	-43.2	173.9	0	0	0	0	0	112.7	W788 W789 E790 F796	W788-G792 PolarHBondContact O-N 3.17Å; W789-G792 CarbonylContact O-C 3.59Å; W789-G792 VanDerWaalsContact O-CA 3.31Å; W789-G792 WeakPolarHBondContact O-CA 3.45Å; W789-G792 PolarHBondContact O-N 2.87Å; E790-G792 VanDerWaalsContact C-N 3.32Å; E790-G792 PolarHBondContact O-N 3.42Å; G792-F796 PolarHBondContact O-N 2.87Å; G792-F796 VanDerWaalsContact O-N 3.13Å
793	V	97.6	Very high	94.3	Very high	0 Å²	0	9 Å²	9	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-64.3	-48.5	175.3	178.9	0	0	0	0	110	F771 W789 E790 V795 F796 E797 P804 F805 L840	F771-V793 HydrophobicContact CD1-CB 3.82Å; F771-V793 HydrophobicContact CD1-CG1 3.48Å; F771-V793 VanDerWaalsContact CD1-CG1 3.48Å; F771-V793 HydrophobicContact CE1-CB 4.14Å; F771-V793 HydrophobicContact CE1-CG1 3.57Å; F771-V793 HydrophobicContact CG-CG1 4.13Å; F771-V793 HydrophobicContact CZ-CG1 4.26Å; W789-V793 PolarHBondContact O-N 3.05Å; E790-V793 PolarHBondContact O-N 3.3Å; V793-V795 PolarHBondContact O-N 2.91Å; V793-F796 WeakPolarHBondContact O-CB 3.5Å; V793-F796 PolarHBondContact O-N 2.92Å; V793-F796 VanDerWaalsContact O-N 3.1Å; V793-E797 HydrophobicContact CG1-CG 4.49Å; V793-E797 PolarHBondContact O-N 2.93Å; V793-P804 HydrophobicContact CB-CG 4.37Å; V793-P804 HydrophobicContact CG1-CG 3.96Å; V793-P804 HydrophobicContact CG2-CG 4.21Å; V793-F805 HydrophobicContact CG2-CE2 4.47Å; V793-L840 HydrophobicContact CG2-CD2 3.74Å
794	L	96.9	Very high	94	Very high	0 Å²	0	8.4 Å²	8.4	0%	0	5%	0.045	C	C	.	.	H	α-helix	trans	-56.2	-46.4	177.6	-179.9	73.7	0	0	0	112.5	V714 L731 L733 L736 E790 L791 F796 E797 M798	V714-L794 HydrophobicContact CG1-CD2 4.24Å; V714-L794 HydrophobicContact CG2-CD2 4.24Å; L731-L794 HydrophobicContact CD1-CD2 4.03Å; L731-L794 HydrophobicContact CD2-CD2 4.06Å; L731-L794 HydrophobicContact CG-CD2 4.09Å; L733-L794 HydrophobicContact CD2-CD1 3.6Å; L733-L794 HydrophobicContact CG-CD1 3.83Å; L736-L794 HydrophobicContact CD1-CD1 3.7Å; L736-L794 HydrophobicContact CD1-CD2 3.63Å; L736-L794 HydrophobicContact CD1-CG 4.31Å; E790-L794 VanDerWaalsContact O-CB 3.31Å; E790-L794 WeakPolarHBondContact O-CB 3.48Å; E790-L794 PolarHBondContact O-N 3.06Å; L791-L794 HydrophobicContact CD1-CD2 4.26Å; L794-F796 VanDerWaalsContact C-N 3.31Å; L794-F796 PolarHBondContact O-N 3.31Å; L794-E797 PolarHBondContact O-N 2.8Å; L794-M798 HydrophobicContact CD2-CE 4.5Å; L794-M798 HydrophobicContact CG-CE 4.22Å; L794-M798 WeakPolarHBondContact O-CB 3.33Å; L794-M798 VanDerWaalsContact O-CG 3.3Å; L794-M798 WeakPolarHBondContact O-CG 3.47Å; L794-M798 PolarHBondContact O-N 3.03Å
795	V	97.7	Very high	93.7	Very high	0 Å²	0	7.5 Å²	7.5	0%	0	4%	0.042	C	C	.	.	H	α-helix	trans	-65	-36.6	178.1	170	0	0	0	0	111.2	L791 V793 M798 L799 L835 M836	L791-V795 HydrophobicContact CD1-CG2 4.29Å; L791-V795 WeakPolarHBondContact O-CB 3.25Å; L791-V795 VanDerWaalsContact O-CG2 3.29Å; L791-V795 WeakPolarHBondContact O-CG2 3.48Å; L791-V795 PolarHBondContact O-N 2.87Å; V793-V795 PolarHBondContact O-N 2.91Å; V795-M798 HydrophobicContact CG2-CE 4.17Å; V795-L799 HydrophobicContact CG1-CD1 3.76Å; V795-L799 WeakPolarHBondContact O-CB 3.35Å; V795-L799 WeakPolarHBondContact O-CD1 3.43Å; V795-L799 VanDerWaalsContact O-CG 3.28Å; V795-L799 WeakPolarHBondContact O-CG 3.34Å; V795-L799 PolarHBondContact O-N 3.17Å; V795-L835 HydrophobicContact CG1-CD2 4.49Å; V795-M836 HydrophobicContact CB-CG 4.33Å; V795-M836 HydrophobicContact CG1-CG 3.83Å; V795-M836 HydrophobicContact CG1-SD 4.06Å
796	F	96.4	Very high	92.8	Very high	7 Å²	7	11 Å²	11	3%	0.031	7%	0.065	C	C	.	.	H	α-helix	trans	-63.7	-50.5	173.6	-170	-80.9	0	0	0	111.5	G792 V793 L794 M798 L799 V800 E802 P804 V822 Y824 M836	G792-F796 PolarHBondContact O-N 2.87Å; G792-F796 VanDerWaalsContact O-N 3.13Å; V793-F796 WeakPolarHBondContact O-CB 3.5Å; V793-F796 PolarHBondContact O-N 2.92Å; V793-F796 VanDerWaalsContact O-N 3.1Å; L794-F796 VanDerWaalsContact C-N 3.31Å; L794-F796 PolarHBondContact O-N 3.31Å; F796-M798 VanDerWaalsContact C-N 3.35Å; F796-M798 PolarHBondContact O-N 2.93Å; F796-L799 PolarHBondContact O-N 3.45Å; F796-V800 HydrophobicContact CD1-CB 4Å; F796-V800 HydrophobicContact CD1-CG1 4.5Å; F796-V800 HydrophobicContact CD1-CG2 4.02Å; F796-V800 HydrophobicContact CD2-CG2 4.27Å; F796-V800 HydrophobicContact CE1-CB 3.77Å; F796-V800 HydrophobicContact CE1-CG1 3.78Å; F796-V800 HydrophobicContact CE1-CG2 3.85Å; F796-V800 HydrophobicContact CE2-CG2 4.1Å; F796-V800 HydrophobicContact CG-CG2 4.23Å; F796-V800 HydrophobicContact CZ-CB 4.25Å; F796-V800 HydrophobicContact CZ-CG1 4.1Å; F796-V800 HydrophobicContact CZ-CG2 3.9Å; F796-V800 VanDerWaalsContact O-CB 3.3Å; F796-V800 WeakPolarHBondContact O-CB 3.14Å; F796-V800 WeakPolarHBondContact O-CG2 3.22Å; F796-V800 PolarHBondContact O-N 2.86Å; F796-E802 VanDerWaalsContact CD1-O 3.24Å; F796-E802 WeakPolarHBondContact CD1-O 3.38Å; F796-E802 VanDerWaalsContact CE1-O 3.31Å; F796-E802 WeakPolarHBondContact CE1-O 3.33Å; F796-P804 HydrophobicContact CB-CB 4.38Å; F796-P804 HydrophobicContact CB-CG 4.27Å; F796-P804 HydrophobicContact CD1-CB 3.71Å; F796-P804 HydrophobicContact CD1-CG 4.08Å; F796-P804 HydrophobicContact CD2-CB 4.07Å; F796-P804 HydrophobicContact CE1-CB 3.9Å; F796-P804 HydrophobicContact CE2-CB 4.25Å; F796-P804 HydrophobicContact CG-CB 3.8Å; F796-P804 HydrophobicContact CG-CG 4.17Å; F796-P804 HydrophobicContact CZ-CB 4.16Å; F796-V822 HydrophobicContact CD2-CG1 3.88Å; F796-V822 HydrophobicContact CE2-CG1 3.5Å; F796-V822 VanDerWaalsContact CE2-CG1 3.5Å; F796-V822 HydrophobicContact CZ-CG1 4.19Å; F796-Y824 HydrophobicContact CD2-CD1 4.19Å; F796-Y824 HydrophobicContact CD2-CE1 4.02Å; F796-Y824 AromaticContact CE2-CD1 3.96Å; F796-Y824 HydrophobicContact CE2-CD1 3.96Å; F796-Y824 HydrophobicContact CE2-CE1 4.13Å; F796-M836 WeakPolarHBondContact CA-SD 3.42Å; F796-M836 HydrophobicContact CB-SD 3.58Å; F796-M836 VanDerWaalsContact CB-SD 3.58Å; F796-M836 HydrophobicContact CD2-SD 3.71Å; F796-M836 HydrophobicContact CG-SD 4.06Å
797	E	93.1	Very high	91.6	Very high	1 Å²	1	11.2 Å²	11.2	1%	0.005	7%	0.067	C	C	.	.	H	α-helix	trans	-59	-45.3	178.4	-68.8	-151.3	137.3	0	0	111.9	I697 L733 F771 V793 L794 L799 V800 G801	I697-E797 VanDerWaalsContact CD1-O 3.25Å; I697-E797 WeakPolarHBondContact CD1-O 3.2Å; L733-E797 HydrophobicContact CD1-CB 4.21Å; L733-E797 WeakPolarHBondContact CD1-OE2 3.46Å; F771-E797 VanDerWaalsContact CZ-OE2 3.31Å; F771-E797 WeakPolarHBondContact CZ-OE2 3.37Å; V793-E797 HydrophobicContact CG1-CG 4.49Å; V793-E797 PolarHBondContact O-N 2.93Å; L794-E797 PolarHBondContact O-N 2.8Å; E797-L799 VanDerWaalsContact C-N 3.29Å; E797-L799 PolarHBondContact O-N 3.01Å; E797-V800 PolarHBondContact O-N 2.73Å; E797-G801 WeakPolarHBondContact O-CA 3.43Å; E797-G801 PolarHBondContact O-N 3.25Å
798	M	92.4	Very high	90.2	Very high	0 Å²	0	16 Å²	16	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-58.4	-39.1	178.2	-73	-164.1	-64.4	0	0	112.9	I701 F702 Y710 L733 L794 V795 F796	I701-M798 WeakPolarHBondContact CG2-O 3.45Å; F702-M798 HydrophobicContact CB-CB 4.48Å; F702-M798 WeakPolarHBondContact CB-O 3.23Å; F702-M798 HydrophobicContact CD2-CB 3.89Å; F702-M798 HydrophobicContact CD2-CG 3.73Å; F702-M798 HydrophobicContact CD2-SD 4.13Å; F702-M798 HydrophobicContact CE2-CG 4.19Å; F702-M798 HydrophobicContact CE2-SD 4.46Å; F702-M798 PolarHBondContact N-O 2.83Å; F702-M798 VanDerWaalsContact N-O 3.13Å; Y710-M798 HydrophobicContact CD2-SD 4.26Å; L733-M798 HydrophobicContact CD2-CG 3.99Å; L794-M798 HydrophobicContact CD2-CE 4.5Å; L794-M798 HydrophobicContact CG-CE 4.22Å; L794-M798 WeakPolarHBondContact O-CB 3.33Å; L794-M798 VanDerWaalsContact O-CG 3.3Å; L794-M798 WeakPolarHBondContact O-CG 3.47Å; L794-M798 PolarHBondContact O-N 3.03Å; V795-M798 HydrophobicContact CG2-CE 4.17Å; F796-M798 VanDerWaalsContact C-N 3.35Å; F796-M798 PolarHBondContact O-N 2.93Å
799	L	89.7	Confident	88.9	Confident	12 Å²	12	19.7 Å²	19.7	6%	0.063	11%	0.112	C	C	.	.	H	α-helix	trans	-86.4	-28.4	-177.2	-68.5	169.4	0	0	0	114.3	E704 S707 V795 F796 E797 F827 L828 M836	E704-L799 HydrophobicContact CB-CD2 4.15Å; E704-L799 HydrophobicContact CG-CD2 4.41Å; S707-L799 WeakPolarHBondContact OG-CD2 3.33Å; V795-L799 HydrophobicContact CG1-CD1 3.76Å; V795-L799 WeakPolarHBondContact O-CB 3.35Å; V795-L799 WeakPolarHBondContact O-CD1 3.43Å; V795-L799 VanDerWaalsContact O-CG 3.28Å; V795-L799 WeakPolarHBondContact O-CG 3.34Å; V795-L799 PolarHBondContact O-N 3.17Å; F796-L799 PolarHBondContact O-N 3.45Å; E797-L799 VanDerWaalsContact C-N 3.29Å; E797-L799 PolarHBondContact O-N 3.01Å; L799-F827 WeakPolarHBondContact O-CE2 3.23Å; L799-L828 HydrophobicContact CB-CD2 3.8Å; L799-L828 HydrophobicContact CD1-CD2 4.17Å; L799-M836 HydrophobicContact CD1-CE 3.82Å; L799-M836 HydrophobicContact CD1-SD 4.23Å
800	V	86.6	Confident	87.6	Confident	18 Å²	18	22.8 Å²	22.8	11%	0.109	13%	0.127	C	C	.	.	H	α-helix	trans	-110.3	-26.1	-170.7	-178.1	0	0	0	0	112.7	F796 E797 E802 P825 F827 L828	F796-V800 HydrophobicContact CD1-CB 4Å; F796-V800 HydrophobicContact CD1-CG1 4.5Å; F796-V800 HydrophobicContact CD1-CG2 4.02Å; F796-V800 HydrophobicContact CD2-CG2 4.27Å; F796-V800 HydrophobicContact CE1-CB 3.77Å; F796-V800 HydrophobicContact CE1-CG1 3.78Å; F796-V800 HydrophobicContact CE1-CG2 3.85Å; F796-V800 HydrophobicContact CE2-CG2 4.1Å; F796-V800 HydrophobicContact CG-CG2 4.23Å; F796-V800 HydrophobicContact CZ-CB 4.25Å; F796-V800 HydrophobicContact CZ-CG1 4.1Å; F796-V800 HydrophobicContact CZ-CG2 3.9Å; F796-V800 VanDerWaalsContact O-CB 3.3Å; F796-V800 WeakPolarHBondContact O-CB 3.14Å; F796-V800 WeakPolarHBondContact O-CG2 3.22Å; F796-V800 PolarHBondContact O-N 2.86Å; E797-V800 PolarHBondContact O-N 2.73Å; V800-E802 VanDerWaalsContact C-N 3.28Å; V800-E802 HydrophobicContact CG1-CB 4.42Å; V800-P825 HydrophobicContact CG1-CG 4.19Å; V800-P825 HydrophobicContact CG2-CG 4.38Å; V800-F827 HydrophobicContact CG2-CZ 4.37Å; V800-L828 HydrophobicContact CG2-CD1 4.39Å; V800-L828 HydrophobicContact CG2-CD2 4.16Å
801	G	82.4	Confident	86.4	Confident	7 Å²	7	29.5 Å²	29.5	7%	0.072	16%	0.158	C	C	.	.	S	Bend	trans	74.8	13.6	-176.8	0	0	0	0	0	114.7	L475 E797	L475-G801 WeakPolarHBondContact CG-O 3.38Å; E797-G801 WeakPolarHBondContact O-CA 3.43Å; E797-G801 PolarHBondContact O-N 3.25Å
802	E	81.1	Confident	85.5	Confident	71 Å²	71	34.2 Å²	34.2	33%	0.332	18%	0.18	S	C	.	.	S	Bend	trans	-146.4	150	-179.9	-48.4	-166.7	174.7	0	0	109.2	K474 F796 V800	K474-E802 HydrophobicContact CB-CG 4.09Å; K474-E802 WeakPolarHBondContact CD-OE2 3.36Å; K474-E802 HydrophobicContact CG-CG 4.4Å; K474-E802 WeakPolarHBondContact CG-OE1 3.5Å; K474-E802 IonicContact NZ-OE1 2.91Å; K474-E802 PolarHBondContact NZ-OE1 2.78Å; K474-E802 IonicContact NZ-OE2 2.68Å; K474-E802 PolarHBondContact NZ-OE2 3.48Å; F796-E802 VanDerWaalsContact CD1-O 3.24Å; F796-E802 WeakPolarHBondContact CD1-O 3.38Å; F796-E802 VanDerWaalsContact CE1-O 3.31Å; F796-E802 WeakPolarHBondContact CE1-O 3.33Å; V800-E802 VanDerWaalsContact C-N 3.28Å; V800-E802 HydrophobicContact CG1-CB 4.42Å
803	S	87.1	Confident	84.7	Confident	23 Å²	23	34.9 Å²	34.9	16%	0.161	18%	0.184	C	C	.	.			trans	-63.8	144	174.8	164.8	0	0	0	0	112	F805	S803-F805 VanDerWaalsContact C-N 3.25Å; S803-F805 PolarHBondContact O-N 2.99Å; S803-F805 PolarHBondContact OG-N 3.39Å
804	P	89.8	Confident	83.9	Confident	8 Å²	8	37.1 Å²	37.1	5%	0.052	19%	0.194	C	C	.	.	S	Bend	trans	-67.9	-18.8	175.5	25.1	-31.3	0	0	0	114.5	V793 F796 P806 V822 L840	V793-P804 HydrophobicContact CB-CG 4.37Å; V793-P804 HydrophobicContact CG1-CG 3.96Å; V793-P804 HydrophobicContact CG2-CG 4.21Å; F796-P804 HydrophobicContact CB-CB 4.38Å; F796-P804 HydrophobicContact CB-CG 4.27Å; F796-P804 HydrophobicContact CD1-CB 3.71Å; F796-P804 HydrophobicContact CD1-CG 4.08Å; F796-P804 HydrophobicContact CD2-CB 4.07Å; F796-P804 HydrophobicContact CE1-CB 3.9Å; F796-P804 HydrophobicContact CE2-CB 4.25Å; F796-P804 HydrophobicContact CG-CB 3.8Å; F796-P804 HydrophobicContact CG-CG 4.17Å; F796-P804 HydrophobicContact CZ-CB 4.16Å; P804-P806 WeakPolarHBondContact O-CD 3.43Å; P804-V822 HydrophobicContact CB-CG1 3.73Å; P804-V822 HydrophobicContact CB-CG2 4.17Å; P804-L840 HydrophobicContact CB-CD1 4.35Å; P804-L840 HydrophobicContact CG-CD1 4.41Å
805	F	90.9	Very high	83	Confident	2 Å²	2	41.3 Å²	41.3	1%	0.009	22%	0.216	C	C	.	.	S	Bend	trans	-125	82	-176.2	-57.4	-71.3	0	0	0	110.9	W789 V793 S803 S816 I817 V822 L840	W789-F805 HydrophobicContact CH2-CE1 4.4Å; W789-F805 AromaticContact CH2-CE2 3.81Å; W789-F805 HydrophobicContact CH2-CE2 3.81Å; W789-F805 AromaticContact CH2-CZ 3.45Å; W789-F805 HydrophobicContact CH2-CZ 3.45Å; W789-F805 VanDerWaalsContact CH2-CZ 3.45Å; W789-F805 HydrophobicContact CZ2-CD2 4.19Å; W789-F805 HydrophobicContact CZ2-CE1 4.47Å; W789-F805 AromaticContact CZ2-CE2 3.24Å; W789-F805 HydrophobicContact CZ2-CE2 3.24Å; W789-F805 AromaticContact CZ2-CZ 3.41Å; W789-F805 HydrophobicContact CZ2-CZ 3.41Å; W789-F805 VanDerWaalsContact CZ2-CZ 3.41Å; V793-F805 HydrophobicContact CG2-CE2 4.47Å; S803-F805 VanDerWaalsContact C-N 3.25Å; S803-F805 PolarHBondContact O-N 2.99Å; S803-F805 PolarHBondContact OG-N 3.39Å; F805-S816 WeakPolarHBondContact CA-OG 3.46Å; F805-S816 WeakPolarHBondContact CD1-O 3.34Å; F805-I817 HydrophobicContact CB-CG1 3.68Å; F805-I817 HydrophobicContact CD1-CG1 4.32Å; F805-I817 HydrophobicContact CD2-CG1 3.78Å; F805-I817 HydrophobicContact CG-CB 4.42Å; F805-I817 HydrophobicContact CG-CG1 3.66Å; F805-V822 HydrophobicContact CD1-CG2 4.45Å; F805-V822 HydrophobicContact CE1-CG2 3.5Å; F805-V822 VanDerWaalsContact CE1-CG2 3.5Å; F805-V822 HydrophobicContact CE2-CG2 4.17Å; F805-V822 HydrophobicContact CZ-CG2 3.31Å; F805-L840 HydrophobicContact CE2-CD2 4.44Å
806	P	78.9	Confident	82.4	Confident	76 Å²	76	41.5 Å²	41.5	49%	0.494	22%	0.217	S	C	.	.			trans	-87	121.7	-170.8	32.8	-33.7	0	0	0	113.2	P804	P804-P806 WeakPolarHBondContact O-CD 3.43Å
807	G	71.6	Confident	81.9	Confident	5 Å²	5	41.1 Å²	41.1	5%	0.052	22%	0.216	C	C	.	.			trans	-122.3	172.3	163.4	0	0	0	0	0	112.8	R477	R477-G807 PolarHBondContact NH1-O 2.88Å
808	D	69.1	Low	81.6	Confident	101 Å²	101	43 Å²	43	54%	0.54	23%	0.228	S	C	.	.	S	Bend	trans	-95.4	-17.3	168.4	-77.4	39.1	0	0	0	112	R477 E812	R477-D808 IonicContact CZ-OD1 2.68Å; R477-D808 IonicContact CZ-OD2 3.8Å; R477-D808 IonicContact NH1-OD1 3.56Å; R477-D808 PolarHBondContact NH1-OD1 3.43Å; R477-D808 IonicContact NH2-OD1 3.7Å; R477-D808 PolarHBondContact NH2-OD1 3.16Å; R477-D808 IonicContact NH2-OD2 3.15Å; R477-D808 PolarHBondContact NH2-OD2 2.99Å; D808-E812 WeakPolarHBondContact CB-OE2 3.38Å; D808-E812 PolarHBondContact N-OE2 2.89Å
809	D	72.5	Confident	81.1	Confident	78 Å²	78	48.2 Å²	48.2	42%	0.417	26%	0.255	S	S	.	.	S	Bend	trans	-142.7	-176.1	169.2	68.3	45.8	0	0	0	113.9	E811 E812 V813	D809-E811 PolarHBondContact OD1-N 3.41Å; D809-E812 PolarHBondContact OD1-N 3.42Å; D809-E812 VanDerWaalsContact OD1-N 3.16Å; D809-V813 VanDerWaalsContact O-CG2 3.32Å; D809-V813 WeakPolarHBondContact O-CG2 3.48Å; D809-V813 PolarHBondContact O-N 2.86Å; D809-V813 VanDerWaalsContact O-N 3.13Å
810	E	70.1	Confident	81	Confident	64 Å²	64	50.5 Å²	50.5	30%	0.299	27%	0.265	S	S	.	.	H	α-helix	trans	-64.2	-37.2	-178.3	-74.9	178.2	-158.4	0	0	113.6	F482 V813 F814	F482-E810 HydrophobicContact CE1-CG 4.14Å; F482-E810 VanDerWaalsContact CE1-OE1 3.24Å; F482-E810 WeakPolarHBondContact CE1-OE1 3.44Å; F482-E810 HydrophobicContact CZ-CG 3.75Å; E810-V813 PolarHBondContact O-N 2.83Å; E810-F814 HydrophobicContact CB-CE2 4.07Å; E810-F814 HydrophobicContact CB-CZ 4.43Å; E810-F814 WeakPolarHBondContact O-CD2 3.41Å; E810-F814 WeakPolarHBondContact O-CG 3.36Å; E810-F814 PolarHBondContact O-N 2.81Å
811	E	73.9	Confident	81.2	Confident	145 Å²	145	57.8 Å²	57.8	68%	0.678	30%	0.299	S	S	*	.	H	α-helix	trans	-72.9	-41	-176.4	-168.6	170	178.7	0	0	110.1	D809 F814 D815	D809-E811 PolarHBondContact OD1-N 3.41Å; E811-F814 PolarHBondContact O-N 2.93Å; E811-D815 WeakPolarHBondContact O-CB 3.48Å; E811-D815 PolarHBondContact O-N 2.83Å
812	E	79	Confident	81.5	Confident	101 Å²	101	58.4 Å²	58.4	47%	0.472	30%	0.301	S	S	.	.	H	α-helix	trans	-63.3	-38.6	171.4	-68.7	-169.8	165.7	0	0	112.9	D808 D809 S816	D808-E812 WeakPolarHBondContact CB-OE2 3.38Å; D808-E812 PolarHBondContact N-OE2 2.89Å; D809-E812 PolarHBondContact OD1-N 3.42Å; D809-E812 VanDerWaalsContact OD1-N 3.16Å; E812-S816 WeakPolarHBondContact O-CB 3.26Å; E812-S816 PolarHBondContact O-N 3.32Å
813	V	81.1	Confident	81.8	Confident	14 Å²	14	62.8 Å²	62.8	9%	0.085	31%	0.314	C	S	.	.	H	α-helix	trans	-66.2	-45.2	176.4	167.3	0	0	0	0	111.1	E770 D809 E810 S816 I817	E770-V813 HydrophobicContact CB-CG1 4.16Å; D809-V813 VanDerWaalsContact O-CG2 3.32Å; D809-V813 WeakPolarHBondContact O-CG2 3.48Å; D809-V813 PolarHBondContact O-N 2.86Å; D809-V813 VanDerWaalsContact O-N 3.13Å; E810-V813 PolarHBondContact O-N 2.83Å; V813-S816 PolarHBondContact O-N 2.9Å; V813-I817 HydrophobicContact CG1-CD1 3.82Å; V813-I817 VanDerWaalsContact O-CG1 3.3Å; V813-I817 WeakPolarHBondContact O-CG1 3.26Å; V813-I817 PolarHBondContact O-N 2.84Å
814	F	81.1	Confident	81.7	Confident	47 Å²	47	63.3 Å²	63.3	21%	0.206	31%	0.313	C	S	.	.	H	α-helix	trans	-65.2	-39.4	177.4	-62.1	-31	0	0	0	112.1	P769 L772 L777 E810 E811 I817 V818	P769-F814 HydrophobicContact CB-CE1 3.82Å; P769-F814 HydrophobicContact CB-CZ 4.15Å; L772-F814 HydrophobicContact CD1-CE1 4Å; L777-F814 HydrophobicContact CD1-CB 4.11Å; L777-F814 HydrophobicContact CD1-CD1 3.85Å; L777-F814 HydrophobicContact CD1-CG 4.28Å; L777-F814 HydrophobicContact CD2-CD1 3.65Å; L777-F814 HydrophobicContact CD2-CE1 3.9Å; L777-F814 HydrophobicContact CD2-CG 4.13Å; L777-F814 HydrophobicContact CG-CD1 4.44Å; E810-F814 HydrophobicContact CB-CE2 4.07Å; E810-F814 HydrophobicContact CB-CZ 4.43Å; E810-F814 WeakPolarHBondContact O-CD2 3.41Å; E810-F814 WeakPolarHBondContact O-CG 3.36Å; E810-F814 PolarHBondContact O-N 2.81Å; E811-F814 PolarHBondContact O-N 2.93Å; F814-I817 PolarHBondContact O-N 2.95Å; F814-V818 WeakPolarHBondContact O-CG2 3.4Å; F814-V818 PolarHBondContact O-N 2.77Å
815	D	78.1	Confident	81.2	Confident	88 Å²	88	64.8 Å²	64.8	47%	0.471	32%	0.322	S	S	.	.	H	α-helix	trans	-63.8	-43.6	173.6	-171.1	68.6	0	0	0	111.8	E811 I817 V818 N819	E811-D815 WeakPolarHBondContact O-CB 3.48Å; E811-D815 PolarHBondContact O-N 2.83Å; D815-I817 PolarHBondContact O-N 2.9Å; D815-V818 PolarHBondContact O-N 2.88Å; D815-N819 WeakPolarHBondContact O-CA 3.32Å; D815-N819 WeakPolarHBondContact O-CB 3.18Å; D815-N819 PolarHBondContact O-N 2.69Å; D815-N819 PolarHBondContact OD1-ND2 2.76Å
816	S	85	Confident	80.6	Confident	3 Å²	3	74.2 Å²	74.2	2%	0.021	37%	0.366	C	S	.	.	H	α-helix	trans	-61	-45.9	176.3	-171.2	0	0	0	0	111.7	F805 E812 V813 V818 E820	F805-S816 WeakPolarHBondContact CA-OG 3.46Å; F805-S816 WeakPolarHBondContact CD1-O 3.34Å; E812-S816 WeakPolarHBondContact O-CB 3.26Å; E812-S816 PolarHBondContact O-N 3.32Å; V813-S816 PolarHBondContact O-N 2.9Å; S816-V818 PolarHBondContact O-N 2.8Å; S816-E820 WeakPolarHBondContact O-CB 3.4Å; S816-E820 PolarHBondContact O-N 2.86Å; S816-E820 PolarHBondContact OG-OE2 2.72Å
817	I	86.4	Confident	80.8	Confident	0 Å²	0	77.4 Å²	77.4	0%	0	37%	0.373	C	S	.	.	H	α-helix	trans	-57.3	-47.6	175.2	-70.4	166.5	0	0	0	111.4	P769 L772 P774 L777 W789 F805 V813 F814 D815 K842	P769-I817 VanDerWaalsContact O-CD1 3.28Å; P769-I817 WeakPolarHBondContact O-CD1 3.16Å; L772-I817 WeakPolarHBondContact O-CG2 3.48Å; P774-I817 HydrophobicContact CB-CG2 4.4Å; P774-I817 HydrophobicContact CG-CG2 3.88Å; L777-I817 HydrophobicContact CD1-CB 3.95Å; L777-I817 HydrophobicContact CD1-CD1 4.27Å; L777-I817 HydrophobicContact CD1-CG2 3.59Å; W789-I817 HydrophobicContact CZ2-CG2 4.06Å; F805-I817 HydrophobicContact CB-CG1 3.68Å; F805-I817 HydrophobicContact CD1-CG1 4.32Å; F805-I817 HydrophobicContact CD2-CG1 3.78Å; F805-I817 HydrophobicContact CG-CB 4.42Å; F805-I817 HydrophobicContact CG-CG1 3.66Å; V813-I817 HydrophobicContact CG1-CD1 3.82Å; V813-I817 VanDerWaalsContact O-CG1 3.3Å; V813-I817 WeakPolarHBondContact O-CG1 3.26Å; V813-I817 PolarHBondContact O-N 2.84Å; F814-I817 PolarHBondContact O-N 2.95Å; D815-I817 PolarHBondContact O-N 2.9Å; I817-K842 VanDerWaalsContact O-CE 3.31Å; I817-K842 WeakPolarHBondContact O-CE 3.48Å; I817-K842 PolarHBondContact O-NZ 2.64Å
818	V	86.9	Confident	81.5	Confident	41 Å²	41	78.1 Å²	78.1	25%	0.248	38%	0.375	C	S	.	.	H	α-helix	trans	-78	-41	-175.3	176.5	0	0	0	0	112.3	L777 T778 F814 D815 S816 K842	L777-V818 HydrophobicContact CB-CG2 3.95Å; L777-V818 HydrophobicContact CD1-CG2 3.83Å; T778-V818 HydrophobicContact CG2-CB 4.41Å; T778-V818 HydrophobicContact CG2-CG1 3.75Å; T778-V818 HydrophobicContact CG2-CG2 3.67Å; F814-V818 WeakPolarHBondContact O-CG2 3.4Å; F814-V818 PolarHBondContact O-N 2.77Å; D815-V818 PolarHBondContact O-N 2.88Å; S816-V818 PolarHBondContact O-N 2.8Å; V818-K842 WeakPolarHBondContact O-CD 3.38Å; V818-K842 PolarHBondContact O-NZ 3.37Å
819	N	81.9	Confident	82.6	Confident	109 Å²	109	74.3 Å²	74.3	58%	0.583	36%	0.356	S	S	*	.	H	α-helix	trans	-111.1	-37.6	-167.5	-65.8	-47.7	0	0	0	115.6	D815 K842	D815-N819 WeakPolarHBondContact O-CA 3.32Å; D815-N819 WeakPolarHBondContact O-CB 3.18Å; D815-N819 PolarHBondContact O-N 2.69Å; D815-N819 PolarHBondContact OD1-ND2 2.76Å; N819-K842 VanDerWaalsContact C-NZ 3.28Å; N819-K842 VanDerWaalsContact N-NZ 3.19Å
820	E	88.5	Confident	83.6	Confident	59 Å²	59	75.5 Å²	75.5	28%	0.276	37%	0.368	S	S	.	.	P	Polyproline II helix	trans	-78.7	153.2	-177.2	-73.3	-157.7	117.3	0	0	114.8	S816 R823 K842	S816-E820 WeakPolarHBondContact O-CB 3.4Å; S816-E820 PolarHBondContact O-N 2.86Å; S816-E820 PolarHBondContact OG-OE2 2.72Å; E820-R823 IonicContact OE1-CZ 3.62Å; E820-R823 VanDerWaalsContact OE1-CZ 3.29Å; E820-R823 IonicContact OE1-NH1 3.94Å; E820-R823 PolarHBondContact OE1-NH1 2.79Å; E820-R823 IonicContact OE1-NH2 3.23Å; E820-R823 PolarHBondContact OE1-NH2 3.05Å; E820-R823 IonicContact OE2-NH1 2.63Å; E820-R823 PolarHBondContact OE2-NH1 3.17Å; E820-K842 WeakPolarHBondContact O-CE 3.41Å; E820-K842 PolarHBondContact O-NZ 2.96Å
821	E	89	Confident	84.8	Confident	172 Å²	172	76.4 Å²	76.4	80%	0.804	37%	0.373	S	S	*	.	P	Polyproline II helix	trans	-91	140.1	168.1	-68.9	-165.3	161.9	0	0	112.4	R823	E821-R823 PolarHBondContact O-N 3.31Å
822	V	90.2	Very high	85.8	Confident	20 Å²	20	69.6 Å²	69.6	12%	0.121	34%	0.341	C	S	.	.	P	Polyproline II helix	trans	-63.7	124.7	-179.8	-178.7	0	0	0	0	111.3	F796 P804 F805 Y824 L840	F796-V822 HydrophobicContact CD2-CG1 3.88Å; F796-V822 HydrophobicContact CE2-CG1 3.5Å; F796-V822 VanDerWaalsContact CE2-CG1 3.5Å; F796-V822 HydrophobicContact CZ-CG1 4.19Å; P804-V822 HydrophobicContact CB-CG1 3.73Å; P804-V822 HydrophobicContact CB-CG2 4.17Å; F805-V822 HydrophobicContact CD1-CG2 4.45Å; F805-V822 HydrophobicContact CE1-CG2 3.5Å; F805-V822 VanDerWaalsContact CE1-CG2 3.5Å; F805-V822 HydrophobicContact CE2-CG2 4.17Å; F805-V822 HydrophobicContact CZ-CG2 3.31Å; V822-Y824 HydrophobicContact CB-CE1 4.43Å; V822-Y824 HydrophobicContact CB-CE2 3.74Å; V822-Y824 HydrophobicContact CG1-CD1 4.25Å; V822-Y824 HydrophobicContact CG1-CD2 4.36Å; V822-Y824 HydrophobicContact CG1-CE1 3.7Å; V822-Y824 HydrophobicContact CG1-CE2 3.83Å; V822-Y824 VanDerWaalsContact CG1-CZ 3.47Å; V822-Y824 WeakPolarHBondContact O-CD2 3.37Å; V822-Y824 VanDerWaalsContact O-CE2 3.25Å; V822-Y824 WeakPolarHBondContact O-CE2 3.39Å; V822-Y824 PolarHBondContact O-N 3.22Å; V822-L840 HydrophobicContact CG1-CD1 4.35Å; V822-L840 HydrophobicContact CG2-CB 4.41Å; V822-L840 HydrophobicContact CG2-CD1 3.96Å
823	R	86.6	Confident	86.6	Confident	162 Å²	162	68.5 Å²	68.5	61%	0.611	33%	0.334	S	S	*	.			trans	-90.2	100.4	-178.1	-61.6	179.1	-178.8	96.6	-0.1	110.8	E820 E821 P825	E820-R823 IonicContact OE1-CZ 3.62Å; E820-R823 VanDerWaalsContact OE1-CZ 3.29Å; E820-R823 IonicContact OE1-NH1 3.94Å; E820-R823 PolarHBondContact OE1-NH1 2.79Å; E820-R823 IonicContact OE1-NH2 3.23Å; E820-R823 PolarHBondContact OE1-NH2 3.05Å; E820-R823 IonicContact OE2-NH1 2.63Å; E820-R823 PolarHBondContact OE2-NH1 3.17Å; E821-R823 PolarHBondContact O-N 3.31Å; R823-P825 WeakPolarHBondContact O-CD 3.46Å
824	Y	85.3	Confident	87.5	Confident	35 Å²	35	69.7 Å²	69.7	14%	0.137	34%	0.343	C	S	.	.			trans	-85.3	116.6	-178	-62	-79.3	0	0	0	113.3	F796 V822 L828 K833 M836 Q837	F796-Y824 HydrophobicContact CD2-CD1 4.19Å; F796-Y824 HydrophobicContact CD2-CE1 4.02Å; F796-Y824 AromaticContact CE2-CD1 3.96Å; F796-Y824 HydrophobicContact CE2-CD1 3.96Å; F796-Y824 HydrophobicContact CE2-CE1 4.13Å; V822-Y824 HydrophobicContact CB-CE1 4.43Å; V822-Y824 HydrophobicContact CB-CE2 3.74Å; V822-Y824 HydrophobicContact CG1-CD1 4.25Å; V822-Y824 HydrophobicContact CG1-CD2 4.36Å; V822-Y824 HydrophobicContact CG1-CE1 3.7Å; V822-Y824 HydrophobicContact CG1-CE2 3.83Å; V822-Y824 VanDerWaalsContact CG1-CZ 3.47Å; V822-Y824 WeakPolarHBondContact O-CD2 3.37Å; V822-Y824 VanDerWaalsContact O-CE2 3.25Å; V822-Y824 WeakPolarHBondContact O-CE2 3.39Å; V822-Y824 PolarHBondContact O-N 3.22Å; Y824-L828 HydrophobicContact CD1-CD1 4Å; Y824-K833 HydrophobicContact CD1-CG 4.11Å; Y824-K833 HydrophobicContact CD2-CG 4.38Å; Y824-K833 HydrophobicContact CG-CD 4.17Å; Y824-K833 HydrophobicContact CG-CG 3.91Å; Y824-M836 HydrophobicContact CD1-CE 4.23Å; Y824-M836 HydrophobicContact CE1-CB 3.6Å; Y824-M836 HydrophobicContact CE1-CE 4.31Å; Y824-M836 HydrophobicContact CE1-SD 4.38Å; Y824-M836 PolarHBondContact OH-O 3.31Å; Y824-Q837 HydrophobicContact CD2-CG 4.12Å; Y824-Q837 HydrophobicContact CE1-CG 4.37Å; Y824-Q837 HydrophobicContact CE2-CG 3.47Å; Y824-Q837 VanDerWaalsContact CE2-CG 3.47Å; Y824-Q837 PolarHBondContact OH-N 2.93Å
825	P	79.6	Confident	88.3	Confident	38 Å²	38	67.4 Å²	67.4	25%	0.247	33%	0.333	C	S	.	.			trans	-63.4	148.3	177.1	-25.2	36.2	0	0	0	114.6	V800 R823 F827 L828	V800-P825 HydrophobicContact CG1-CG 4.19Å; V800-P825 HydrophobicContact CG2-CG 4.38Å; R823-P825 WeakPolarHBondContact O-CD 3.46Å; P825-F827 HydrophobicContact CB-CD1 3.57Å; P825-F827 HydrophobicContact CB-CE1 3.3Å; P825-F827 HydrophobicContact CB-CE2 4.49Å; P825-F827 HydrophobicContact CB-CG 4.29Å; P825-F827 HydrophobicContact CB-CZ 3.81Å; P825-F827 HydrophobicContact CG-CE1 3.82Å; P825-F827 HydrophobicContact CG-CZ 3.98Å; P825-F827 PolarHBondContact O-N 3.09Å; P825-F827 VanDerWaalsContact O-N 3.11Å; P825-L828 WeakPolarHBondContact O-CB 3.49Å; P825-L828 WeakPolarHBondContact O-CG 3.48Å; P825-L828 PolarHBondContact O-N 3.1Å
826	H	78.6	Confident	89.3	Confident	201 Å²	201	63.2 Å²	63.2	93%	0.931	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.6	-11.2	-179.2	-60.5	-82.9	0	0	0	115.6	L828	H826-L828 VanDerWaalsContact C-N 3.34Å
827	F	82.1	Confident	89.9	Confident	143 Å²	143	67.2 Å²	67.2	63%	0.627	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.3	-12.3	176.2	65.3	-107.7	0	0	0	113.3	L799 V800 P825	L799-F827 WeakPolarHBondContact O-CE2 3.23Å; V800-F827 HydrophobicContact CG2-CZ 4.37Å; P825-F827 HydrophobicContact CB-CD1 3.57Å; P825-F827 HydrophobicContact CB-CE1 3.3Å; P825-F827 HydrophobicContact CB-CE2 4.49Å; P825-F827 HydrophobicContact CB-CG 4.29Å; P825-F827 HydrophobicContact CB-CZ 3.81Å; P825-F827 HydrophobicContact CG-CE1 3.82Å; P825-F827 HydrophobicContact CG-CZ 3.98Å; P825-F827 PolarHBondContact O-N 3.09Å; P825-F827 VanDerWaalsContact O-N 3.11Å
828	L	86.2	Confident	90.4	Very high	20 Å²	20	70.5 Å²	70.5	11%	0.105	34%	0.344	C	S	.	.	S	Bend	trans	-71.1	138.2	176.7	-65.1	173	0	0	0	110.4	L799 V800 Y824 P825 H826 M836	L799-L828 HydrophobicContact CB-CD2 3.8Å; L799-L828 HydrophobicContact CD1-CD2 4.17Å; V800-L828 HydrophobicContact CG2-CD1 4.39Å; V800-L828 HydrophobicContact CG2-CD2 4.16Å; Y824-L828 HydrophobicContact CD1-CD1 4Å; P825-L828 WeakPolarHBondContact O-CB 3.49Å; P825-L828 WeakPolarHBondContact O-CG 3.48Å; P825-L828 PolarHBondContact O-N 3.1Å; H826-L828 VanDerWaalsContact C-N 3.34Å; L828-M836 HydrophobicContact CD1-CE 3.69Å; L828-M836 HydrophobicContact CD2-CE 4.1Å; L828-M836 HydrophobicContact CG-CE 4.45Å
829	S	91.9	Very high	91	Very high	20 Å²	20	68.6 Å²	68.6	14%	0.14	33%	0.333	C	S	.	.			trans	-63.4	154.3	172.2	81.3	0	0	0	0	111.2	E704 Q831 S832 K833	E704-S829 WeakPolarHBondContact OE1-CB 3.47Å; E704-S829 PolarHBondContact OE1-OG 3.25Å; E704-S829 WeakPolarHBondContact OE2-CB 3.38Å; S829-Q831 PolarHBondContact O-N 3Å; S829-Q831 PolarHBondContact OG-N 3.34Å; S829-S832 PolarHBondContact O-N 3.09Å; S829-S832 WeakPolarHBondContact OG-CB 3.41Å; S829-S832 PolarHBondContact OG-N 3.29Å; S829-S832 PolarHBondContact OG-OG 3.01Å; S829-K833 WeakPolarHBondContact O-CB 3.42Å; S829-K833 PolarHBondContact O-N 3.41Å
830	P	94.8	Very high	91.8	Very high	103 Å²	103	64 Å²	64	67%	0.669	31%	0.308	S	S	*	.	H	α-helix	trans	-54.7	-33.9	171.8	-26.4	35.2	0	0	0	113	S834	P830-S834 WeakPolarHBondContact O-CB 3.26Å; P830-S834 PolarHBondContact O-N 3.41Å
831	Q	95.8	Very high	92.2	Very high	84 Å²	84	64.7 Å²	64.7	39%	0.393	31%	0.312	S	S	.	.	H	α-helix	trans	-70.1	-49.5	178.5	-67.6	80.1	-13.6	0	0	111.5	S829 S834 L835 H861 K862 F863	S829-Q831 PolarHBondContact O-N 3Å; S829-Q831 PolarHBondContact OG-N 3.34Å; Q831-S834 PolarHBondContact O-N 3.47Å; Q831-L835 PolarHBondContact O-N 2.85Å; Q831-H861 PolarHBondContact O-CE1 2.91Å; Q831-K862 HydrophobicContact CG-CB 4.17Å; Q831-F863 HydrophobicContact CB-CB 4.41Å
832	S	94.8	Very high	92.6	Very high	1 Å²	1	59.4 Å²	59.4	1%	0.007	29%	0.286	C	S	.	.	H	α-helix	trans	-56.7	-51.2	174.2	-83.3	0	0	0	0	111.1	E704 S829 S834 L835 M836 F863	E704-S832 VanDerWaalsContact CD-OG 3.27Å; E704-S832 PolarHBondContact OE1-OG 3.05Å; S829-S832 PolarHBondContact O-N 3.09Å; S829-S832 WeakPolarHBondContact OG-CB 3.41Å; S829-S832 PolarHBondContact OG-N 3.29Å; S829-S832 PolarHBondContact OG-OG 3.01Å; S832-S834 PolarHBondContact O-N 2.9Å; S832-L835 PolarHBondContact O-N 3.31Å; S832-M836 VanDerWaalsContact O-CE 3.28Å; S832-M836 WeakPolarHBondContact O-CE 3.28Å; S832-M836 PolarHBondContact O-N 2.94Å; S832-F863 VanDerWaalsContact OG-CE2 3.31Å; S832-F863 WeakPolarHBondContact OG-CE2 3.35Å
833	K	95.9	Very high	92.8	Very high	78 Å²	78	61.9 Å²	61.9	34%	0.339	30%	0.299	S	S	.	.	H	α-helix	trans	-61.3	-45.1	178.5	-177.6	173.1	176.1	174.1	0	111.8	Y824 S829 L835 M836 Q837	Y824-K833 HydrophobicContact CD1-CG 4.11Å; Y824-K833 HydrophobicContact CD2-CG 4.38Å; Y824-K833 HydrophobicContact CG-CD 4.17Å; Y824-K833 HydrophobicContact CG-CG 3.91Å; S829-K833 WeakPolarHBondContact O-CB 3.42Å; S829-K833 PolarHBondContact O-N 3.41Å; K833-L835 VanDerWaalsContact C-N 3.33Å; K833-L835 PolarHBondContact O-N 3.45Å; K833-M836 PolarHBondContact O-N 3.11Å; K833-Q837 HydrophobicContact CG-CG 4.25Å; K833-Q837 WeakPolarHBondContact O-CB 3.29Å; K833-Q837 VanDerWaalsContact O-CG 3.29Å; K833-Q837 WeakPolarHBondContact O-CG 3.48Å; K833-Q837 PolarHBondContact O-N 3.41Å
834	S	98.2	Very high	93.2	Very high	39 Å²	39	54.5 Å²	54.5	27%	0.273	27%	0.272	S	S	.	.	H	α-helix	trans	-59.4	-39.1	177.5	175.6	0	0	0	0	112.9	P830 Q831 S832 Q838 H861	P830-S834 WeakPolarHBondContact O-CB 3.26Å; P830-S834 PolarHBondContact O-N 3.41Å; Q831-S834 PolarHBondContact O-N 3.47Å; S832-S834 PolarHBondContact O-N 2.9Å; S834-Q838 WeakPolarHBondContact O-CG 3.39Å; S834-Q838 PolarHBondContact O-N 2.83Å; S834-Q838 PolarHBondContact O-NE2 3.34Å; S834-Q838 PolarHBondContact OG-NE2 2.78Å; S834-H861 PolarHBondContact OG-NE2 3.41Å
835	L	98.5	Very high	93.6	Very high	0 Å²	0	59.4 Å²	59.4	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-65.4	-53.1	177.6	178.3	61.2	0	0	0	110.5	V795 Q831 S832 K833 Q837 Q838 L839 L848 I858 H861 F863 F864	V795-L835 HydrophobicContact CG1-CD2 4.49Å; Q831-L835 PolarHBondContact O-N 2.85Å; S832-L835 PolarHBondContact O-N 3.31Å; K833-L835 VanDerWaalsContact C-N 3.33Å; K833-L835 PolarHBondContact O-N 3.45Å; L835-Q837 VanDerWaalsContact C-N 3.32Å; L835-Q837 PolarHBondContact O-N 2.95Å; L835-Q838 PolarHBondContact O-N 3.42Å; L835-L839 HydrophobicContact CD1-CD1 3.8Å; L835-L839 HydrophobicContact CD1-CG 4.03Å; L835-L839 HydrophobicContact CD2-CD1 4.4Å; L835-L839 HydrophobicContact CG-CD1 3.83Å; L835-L839 HydrophobicContact CG-CG 4.38Å; L835-L839 PolarHBondContact O-N 2.95Å; L835-L848 HydrophobicContact CD1-CD2 3.85Å; L835-I858 HydrophobicContact CD1-CG2 4.24Å; L835-H861 VanDerWaalsContact CA-CE1 3.47Å; L835-H861 WeakPolarHBondContact CA-CE1 3.45Å; L835-H861 HydrophobicContact CD1-CB 4.22Å; L835-H861 PolarHBondContact N-CE1 3.47Å; L835-H861 VanDerWaalsContact N-CE1 3.26Å; L835-F863 HydrophobicContact CB-CB 4.17Å; L835-F863 HydrophobicContact CB-CG 4.49Å; L835-F863 HydrophobicContact CD2-CB 4Å; L835-F863 HydrophobicContact CD2-CD1 3.38Å; L835-F863 HydrophobicContact CD2-CE1 3.88Å; L835-F863 HydrophobicContact CD2-CG 3.73Å; L835-F864 HydrophobicContact CD1-CE2 4.1Å; L835-F864 HydrophobicContact CD2-CE2 3.63Å; L835-F864 HydrophobicContact CD2-CZ 3.87Å
836	M	98.3	Very high	94.4	Very high	0 Å²	0	66.9 Å²	66.9	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-63.3	-37.7	-178.4	-65.8	-180	-77.9	0	0	112	V795 F796 L799 Y824 L828 S832 K833 Q838 L839 L840	V795-M836 HydrophobicContact CB-CG 4.33Å; V795-M836 HydrophobicContact CG1-CG 3.83Å; V795-M836 HydrophobicContact CG1-SD 4.06Å; F796-M836 WeakPolarHBondContact CA-SD 3.42Å; F796-M836 HydrophobicContact CB-SD 3.58Å; F796-M836 VanDerWaalsContact CB-SD 3.58Å; F796-M836 HydrophobicContact CD2-SD 3.71Å; F796-M836 HydrophobicContact CG-SD 4.06Å; L799-M836 HydrophobicContact CD1-CE 3.82Å; L799-M836 HydrophobicContact CD1-SD 4.23Å; Y824-M836 HydrophobicContact CD1-CE 4.23Å; Y824-M836 HydrophobicContact CE1-CB 3.6Å; Y824-M836 HydrophobicContact CE1-CE 4.31Å; Y824-M836 HydrophobicContact CE1-SD 4.38Å; Y824-M836 PolarHBondContact OH-O 3.31Å; L828-M836 HydrophobicContact CD1-CE 3.69Å; L828-M836 HydrophobicContact CD2-CE 4.1Å; L828-M836 HydrophobicContact CG-CE 4.45Å; S832-M836 VanDerWaalsContact O-CE 3.28Å; S832-M836 WeakPolarHBondContact O-CE 3.28Å; S832-M836 PolarHBondContact O-N 2.94Å; K833-M836 PolarHBondContact O-N 3.11Å; M836-Q838 PolarHBondContact O-N 3.43Å; M836-L839 PolarHBondContact O-N 3.4Å; M836-L840 VanDerWaalsContact O-CB 3.24Å; M836-L840 WeakPolarHBondContact O-CB 3.46Å; M836-L840 WeakPolarHBondContact O-CG 3.45Å; M836-L840 PolarHBondContact O-N 2.98Å
837	Q	98	Very high	95.3	Very high	86 Å²	86	57.6 Å²	57.6	40%	0.402	28%	0.28	S	S	.	.	H	α-helix	trans	-63.2	-22.1	174.1	-75.9	-176.3	-62.7	0	0	113.9	Y824 K833 L835 Q841	Y824-Q837 HydrophobicContact CD2-CG 4.12Å; Y824-Q837 HydrophobicContact CE1-CG 4.37Å; Y824-Q837 HydrophobicContact CE2-CG 3.47Å; Y824-Q837 VanDerWaalsContact CE2-CG 3.47Å; Y824-Q837 PolarHBondContact OH-N 2.93Å; K833-Q837 HydrophobicContact CG-CG 4.25Å; K833-Q837 WeakPolarHBondContact O-CB 3.29Å; K833-Q837 VanDerWaalsContact O-CG 3.29Å; K833-Q837 WeakPolarHBondContact O-CG 3.48Å; K833-Q837 PolarHBondContact O-N 3.41Å; L835-Q837 VanDerWaalsContact C-N 3.32Å; L835-Q837 PolarHBondContact O-N 2.95Å; Q837-Q841 PolarHBondContact O-NE2 3.45Å
838	Q	98.5	Very high	96.1	Very high	69 Å²	69	51.5 Å²	51.5	32%	0.322	25%	0.254	S	S	.	.	H	α-helix	trans	-96.4	-29.6	179.1	-73.1	172.9	62.3	0	0	113.1	S834 L835 M836 Q841 L848 H861	S834-Q838 WeakPolarHBondContact O-CG 3.39Å; S834-Q838 PolarHBondContact O-N 2.83Å; S834-Q838 PolarHBondContact O-NE2 3.34Å; S834-Q838 PolarHBondContact OG-NE2 2.78Å; L835-Q838 PolarHBondContact O-N 3.42Å; M836-Q838 PolarHBondContact O-N 3.43Å; Q838-Q841 WeakPolarHBondContact O-CG 3.33Å; Q838-L848 HydrophobicContact CB-CB 3.91Å; Q838-L848 HydrophobicContact CB-CD2 4.18Å; Q838-L848 PolarHBondContact O-N 3.01Å; Q838-H861 PolarHBondContact NE2-NE2 3.47Å; Q838-H861 VanDerWaalsContact NE2-NE2 3.16Å
839	L	98.6	Very high	96.6	Very high	1 Å²	1	50.6 Å²	50.6	1%	0.005	25%	0.249	C	C	.	.	H	α-helix	trans	-78.8	-36.5	171.7	-66.4	176.8	0	0	0	112.4	W788 L791 L835 M836 Q841 R847 L848 I858	W788-L839 HydrophobicContact CB-CD2 4.32Å; L791-L839 HydrophobicContact CD2-CD1 4.35Å; L791-L839 HydrophobicContact CG-CD1 4.15Å; L835-L839 HydrophobicContact CD1-CD1 3.8Å; L835-L839 HydrophobicContact CD1-CG 4.03Å; L835-L839 HydrophobicContact CD2-CD1 4.4Å; L835-L839 HydrophobicContact CG-CD1 3.83Å; L835-L839 HydrophobicContact CG-CG 4.38Å; L835-L839 PolarHBondContact O-N 2.95Å; M836-L839 PolarHBondContact O-N 3.4Å; L839-Q841 PolarHBondContact O-N 2.59Å; L839-R847 WeakPolarHBondContact O-CD 3.42Å; L839-R847 WeakPolarHBondContact O-CG 3.4Å; L839-R847 PolarHBondContact O-NE 2.87Å; L839-L848 HydrophobicContact CD2-CB 4.2Å; L839-L848 HydrophobicContact CD2-CD2 4.22Å; L839-I858 HydrophobicContact CD2-CD1 3.98Å; L839-I858 HydrophobicContact CD2-CG1 4.21Å
840	L	98.3	Very high	96.8	Very high	13 Å²	13	50.7 Å²	50.7	7%	0.068	25%	0.25	C	C	.	.	S	Bend	trans	-89.2	34.1	178	-58.6	176.8	0	0	0	112.5	W789 V793 P804 F805 V822 M836	W789-L840 HydrophobicContact CD2-CD2 3.79Å; W789-L840 HydrophobicContact CE3-CB 4.39Å; W789-L840 HydrophobicContact CE3-CD2 3.95Å; W789-L840 HydrophobicContact CG-CD2 4.29Å; W789-L840 HydrophobicContact CH2-CD2 4.4Å; W789-L840 HydrophobicContact CZ2-CD2 4.25Å; W789-L840 VanDerWaalsContact CZ3-C 3.47Å; W789-L840 HydrophobicContact CZ3-CB 4.14Å; W789-L840 HydrophobicContact CZ3-CD2 4.26Å; W789-L840 WeakPolarHBondContact CZ3-O 3.4Å; V793-L840 HydrophobicContact CG2-CD2 3.74Å; P804-L840 HydrophobicContact CB-CD1 4.35Å; P804-L840 HydrophobicContact CG-CD1 4.41Å; F805-L840 HydrophobicContact CE2-CD2 4.44Å; V822-L840 HydrophobicContact CG1-CD1 4.35Å; V822-L840 HydrophobicContact CG2-CB 4.41Å; V822-L840 HydrophobicContact CG2-CD1 3.96Å; M836-L840 VanDerWaalsContact O-CB 3.24Å; M836-L840 WeakPolarHBondContact O-CB 3.46Å; M836-L840 WeakPolarHBondContact O-CG 3.45Å; M836-L840 PolarHBondContact O-N 2.98Å
841	Q	98	Very high	96.8	Very high	74 Å²	74	47.1 Å²	47.1	35%	0.346	23%	0.232	S	C	.	.			trans	-74.4	122	167.6	-74.6	-65.6	-48.2	0	0	109.8	Q837 Q838 L839 N843 R847	Q837-Q841 PolarHBondContact O-NE2 3.45Å; Q838-Q841 WeakPolarHBondContact O-CG 3.33Å; L839-Q841 PolarHBondContact O-N 2.59Å; Q841-N843 PolarHBondContact O-N 3.35Å; Q841-R847 HydrophobicContact CB-CB 4.11Å; Q841-R847 HydrophobicContact CB-CG 4.4Å; Q841-R847 PolarHBondContact O-NE 3.22Å; Q841-R847 PolarHBondContact O-NH2 3.01Å
842	K	95.6	Very high	96.7	Very high	61 Å²	61	51.2 Å²	51.2	27%	0.265	25%	0.248	S	C	.	.	S	Bend	trans	-67.3	-35.2	-176.7	-58.4	-160.3	-176.7	-158	0	113.3	P774 W789 I817 V818 N819 E820 P844 R847	P774-K842 HydrophobicContact CB-CB 4.47Å; P774-K842 HydrophobicContact CG-CB 4.1Å; P774-K842 HydrophobicContact CG-CD 4.48Å; P774-K842 HydrophobicContact CG-CG 4.15Å; W789-K842 HydrophobicContact CH2-CG 4.27Å; W789-K842 HydrophobicContact CZ3-CG 4.24Å; I817-K842 VanDerWaalsContact O-CE 3.31Å; I817-K842 WeakPolarHBondContact O-CE 3.48Å; I817-K842 PolarHBondContact O-NZ 2.64Å; V818-K842 WeakPolarHBondContact O-CD 3.38Å; V818-K842 PolarHBondContact O-NZ 3.37Å; N819-K842 VanDerWaalsContact C-NZ 3.28Å; N819-K842 VanDerWaalsContact N-NZ 3.19Å; E820-K842 WeakPolarHBondContact O-CE 3.41Å; E820-K842 PolarHBondContact O-NZ 2.96Å; K842-P844 WeakPolarHBondContact O-CD 3.2Å; K842-R847 PolarHBondContact O-NH2 2.93Å
843	N	95.1	Very high	96.8	Very high	72 Å²	72	55.1 Å²	55.1	39%	0.385	27%	0.269	S	S	.	.	S	Bend	trans	-79.4	119.7	170.3	176.1	-67.6	0	0	0	109.1	Q841 D845 R846	Q841-N843 PolarHBondContact O-N 3.35Å; N843-D845 PolarHBondContact O-N 2.92Å; N843-D845 WeakPolarHBondContact OD1-CA 3.26Å; N843-D845 WeakPolarHBondContact OD1-CB 2.97Å; N843-D845 PolarHBondContact OD1-N 3.04Å; N843-R846 PolarHBondContact O-N 3.11Å; N843-R846 PolarHBondContact OD1-N 3.16Å
844	P	95.6	Very high	96.9	Very high	7 Å²	7	52 Å²	52	5%	0.045	26%	0.256	C	S	.	.	G	3₁₀ helix	trans	-66.3	-33.4	-175.9	24.5	-33.3	0	0	0	113.5	E775 K842 R846 R847 S850	E775-P844 HydrophobicContact CB-CG 4.35Å; E775-P844 HydrophobicContact CG-CG 4.47Å; K842-P844 WeakPolarHBondContact O-CD 3.2Å; P844-R846 PolarHBondContact O-N 3.38Å; P844-R846 VanDerWaalsContact O-N 3.15Å; P844-R847 VanDerWaalsContact O-CB 3.32Å; P844-R847 WeakPolarHBondContact O-CB 3.45Å; P844-R847 PolarHBondContact O-N 3.01Å; P844-S850 WeakPolarHBondContact O-CB 3.36Å; P844-S850 PolarHBondContact O-OG 2.91Å
845	D	93.6	Very high	96.9	Very high	138 Å²	138	50.2 Å²	50.2	74%	0.738	24%	0.244	S	C	*	.	G	3₁₀ helix	trans	-66.2	-15.9	178.7	-55.9	-38.9	0	0	0	113.1	N843	N843-D845 PolarHBondContact O-N 2.92Å; N843-D845 WeakPolarHBondContact OD1-CA 3.26Å; N843-D845 WeakPolarHBondContact OD1-CB 2.97Å; N843-D845 PolarHBondContact OD1-N 3.04Å
846	R	96.2	Very high	96.9	Very high	195 Å²	195	52 Å²	52	74%	0.736	26%	0.259	S	S	*	.	G	3₁₀ helix	trans	-103.2	-0.1	175.7	-64.9	-174.7	177.5	-167.2	-1	113.7	N843 P844	N843-R846 PolarHBondContact O-N 3.11Å; N843-R846 PolarHBondContact OD1-N 3.16Å; P844-R846 PolarHBondContact O-N 3.38Å; P844-R846 VanDerWaalsContact O-N 3.15Å
847	R	98.1	Very high	96.9	Very high	5 Å²	5	55 Å²	55	2%	0.019	27%	0.273	C	S	.	.	S	Bend	trans	-83.3	134.3	-176.8	-167.6	179.2	-59.3	145.7	7.4	110.9	E775 S785 L839 Q841 K842 P844 G849 S850	E775-R847 IonicContact OE1-CZ 3.87Å; E775-R847 IonicContact OE1-NH1 3.48Å; E775-R847 PolarHBondContact OE1-NH1 3.26Å; E775-R847 IonicContact OE1-NH2 2.72Å; E775-R847 IonicContact OE2-CZ 2.63Å; E775-R847 IonicContact OE2-NH1 3.69Å; E775-R847 PolarHBondContact OE2-NH1 2.89Å; E775-R847 IonicContact OE2-NH2 2.81Å; E775-R847 PolarHBondContact OE2-NH2 3.08Å; S785-R847 PolarHBondContact O-NH1 2.81Å; L839-R847 WeakPolarHBondContact O-CD 3.42Å; L839-R847 WeakPolarHBondContact O-CG 3.4Å; L839-R847 PolarHBondContact O-NE 2.87Å; Q841-R847 HydrophobicContact CB-CB 4.11Å; Q841-R847 HydrophobicContact CB-CG 4.4Å; Q841-R847 PolarHBondContact O-NE 3.22Å; Q841-R847 PolarHBondContact O-NH2 3.01Å; K842-R847 PolarHBondContact O-NH2 2.93Å; P844-R847 VanDerWaalsContact O-CB 3.32Å; P844-R847 WeakPolarHBondContact O-CB 3.45Å; P844-R847 PolarHBondContact O-N 3.01Å; R847-G849 PolarHBondContact O-N 3.08Å; R847-S850 WeakPolarHBondContact O-CB 3.41Å; R847-S850 PolarHBondContact O-N 3.17Å; R847-S850 PolarHBondContact O-OG 2.77Å
848	L	98.4	Very high	96.9	Very high	16 Å²	16	51 Å²	51	8%	0.084	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.1	126.8	176.2	-174.7	78.6	0	0	0	110	L835 Q838 L839 E857 I858 H861	L835-L848 HydrophobicContact CD1-CD2 3.85Å; Q838-L848 HydrophobicContact CB-CB 3.91Å; Q838-L848 HydrophobicContact CB-CD2 4.18Å; Q838-L848 PolarHBondContact O-N 3.01Å; L839-L848 HydrophobicContact CD2-CB 4.2Å; L839-L848 HydrophobicContact CD2-CD2 4.22Å; L848-E857 HydrophobicContact CD1-CG 3.73Å; L848-I858 HydrophobicContact CD2-CB 4.37Å; L848-I858 HydrophobicContact CD2-CG1 4Å; L848-I858 HydrophobicContact CD2-CG2 4.32Å; L848-I858 HydrophobicContact CG-CG1 3.84Å; L848-H861 HydrophobicContact CD2-CB 4.37Å
849	G	97.3	Very high	96.9	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	91.6	-9.6	-175.1	0	0	0	0	0	115.2	W788 R847 G851 D854 E857	W788-G849 VanDerWaalsContact CD1-O 3.23Å; W788-G849 PolarHBondContact NE1-O 3.21Å; W788-G849 VanDerWaalsContact NE1-O 3.08Å; R847-G849 PolarHBondContact O-N 3.08Å; G849-G851 PolarHBondContact O-N 3.37Å; G849-D854 WeakPolarHBondContact O-CA 3.21Å; G849-E857 PolarHBondContact N-OE2 3.16Å
850	S	95.7	Very high	96.8	Very high	22 Å²	22	57.1 Å²	57.1	15%	0.154	28%	0.275	C	S	.	.			trans	-70.2	-15.2	172	-69.2	0	0	0	0	113.4	H758 S785 P844 R847	H758-S850 PolarHBondContact CE1-O 2.99Å; S785-S850 WeakPolarHBondContact CB-OG 3.44Å; P844-S850 WeakPolarHBondContact O-CB 3.36Å; P844-S850 PolarHBondContact O-OG 2.91Å; R847-S850 WeakPolarHBondContact O-CB 3.41Å; R847-S850 PolarHBondContact O-N 3.17Å; R847-S850 PolarHBondContact O-OG 2.77Å
851	G	94.2	Very high	96.8	Very high	28 Å²	28	57.3 Å²	57.3	29%	0.289	28%	0.276	S	S	.	.	S	Bend	trans	-66.5	-177.8	179.4	0	0	0	0	0	114.6	H758 R784 G849 D853 D854	H758-G851 PolarHBondContact ND1-O 3.15Å; R784-G851 PolarHBondContact NH2-O 2.88Å; G849-G851 PolarHBondContact O-N 3.37Å; G851-D853 VanDerWaalsContact C-N 3.33Å; G851-D854 PolarHBondContact O-N 3.47Å
852	K	94.9	Very high	96.8	Very high	170 Å²	170	60.7 Å²	60.7	74%	0.739	29%	0.289	S	S	*	.	S	Bend	trans	-67.3	-37	173.4	-70.9	-179.8	179.4	179.9	0	112	H758 D854	H758-K852 VanDerWaalsContact NE2-CG 3.33Å; H758-K852 WeakPolarHBondContact NE2-CG 3.16Å; K852-D854 PolarHBondContact O-N 2.91Å
853	D	96.3	Very high	96.9	Very high	84 Å²	84	58.1 Å²	58.1	45%	0.449	28%	0.278	S	S	.	.	S	Bend	trans	-64.7	-25	176.6	-73.9	36.6	0	0	0	113.5	G851 A855 A856 E857 R860	G851-D853 VanDerWaalsContact C-N 3.33Å; D853-A855 PolarHBondContact O-N 3.3Å; D853-A856 WeakPolarHBondContact O-CA 3.38Å; D853-A856 VanDerWaalsContact O-CB 3.24Å; D853-A856 WeakPolarHBondContact O-CB 3.31Å; D853-A856 PolarHBondContact O-N 3.31Å; D853-E857 HydrophobicContact CB-CB 4.13Å; D853-R860 IonicContact OD2-CZ 3.89Å; D853-R860 VanDerWaalsContact OD2-CZ 3.22Å; D853-R860 IonicContact OD2-NH1 3.71Å; D853-R860 PolarHBondContact OD2-NH1 2.71Å; D853-R860 IonicContact OD2-NH2 2.73Å; D853-R860 PolarHBondContact OD2-NH2 2.76Å
854	D	98.3	Very high	97.1	Very high	12 Å²	12	54.8 Å²	54.8	6%	0.064	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	55.1	-128.9	171.3	-160.8	62.8	0	0	0	113.4	H722 R784 W788 G849 G851 K852 A856 E857	H722-D854 VanDerWaalsContact CB-OD2 3.31Å; H722-D854 WeakPolarHBondContact CB-OD2 3.34Å; H722-D854 IonicContact CE1-OD1 3.89Å; H722-D854 IonicContact CG-OD2 2.91Å; H722-D854 VanDerWaalsContact ND1-CG 3.34Å; H722-D854 IonicContact ND1-OD1 2.78Å; H722-D854 PolarHBondContact ND1-OD1 3.18Å; H722-D854 VanDerWaalsContact ND1-OD1 3.07Å; H722-D854 IonicContact ND1-OD2 3.8Å; H722-D854 PolarHBondContact ND1-OD2 2.84Å; R784-D854 VanDerWaalsContact CZ-CG 3.47Å; R784-D854 IonicContact CZ-OD1 3.22Å; R784-D854 IonicContact NE-OD1 2.7Å; R784-D854 PolarHBondContact NE-OD1 2.88Å; R784-D854 VanDerWaalsContact NH2-CB 3.28Å; R784-D854 VanDerWaalsContact NH2-CG 3.27Å; R784-D854 IonicContact NH2-OD1 2.66Å; R784-D854 PolarHBondContact NH2-OD1 3.49Å; W788-D854 WeakPolarHBondContact CZ2-OD2 3.39Å; W788-D854 PolarHBondContact NE1-OD1 3.31Å; G849-D854 WeakPolarHBondContact O-CA 3.21Å; G851-D854 PolarHBondContact O-N 3.47Å; K852-D854 PolarHBondContact O-N 2.91Å; D854-A856 PolarHBondContact O-N 2.9Å; D854-A856 VanDerWaalsContact O-N 3.1Å; D854-E857 VanDerWaalsContact O-CB 3.27Å; D854-E857 WeakPolarHBondContact O-CB 3.32Å; D854-E857 PolarHBondContact O-N 3.13Å
855	A	98	Very high	97	Very high	1 Å²	1	61.9 Å²	61.9	1%	0.008	29%	0.293	C	S	.	.	H	α-helix	trans	-49.3	-34.5	173.2	0	0	0	0	0	113.6	L715 E719 W788 D853 E857 I858 K859	L715-A855 HydrophobicContact CD2-CB 4.03Å; E719-A855 HydrophobicContact CB-CB 3.54Å; E719-A855 HydrophobicContact CG-CB 3.67Å; W788-A855 HydrophobicContact CH2-CB 3.68Å; W788-A855 HydrophobicContact CZ2-CB 3.76Å; D853-A855 PolarHBondContact O-N 3.3Å; A855-E857 PolarHBondContact O-N 3Å; A855-I858 PolarHBondContact O-N 3.48Å; A855-I858 VanDerWaalsContact O-N 3.1Å; A855-K859 WeakPolarHBondContact O-CG 3.38Å; A855-K859 PolarHBondContact O-N 3.18Å
856	A	98	Very high	96.8	Very high	39 Å²	39	63.5 Å²	63.5	32%	0.322	30%	0.296	S	S	.	.	H	α-helix	trans	-69.3	-16.3	179.3	0	0	0	0	0	113.2	D853 D854 R860	D853-A856 WeakPolarHBondContact O-CA 3.38Å; D853-A856 VanDerWaalsContact O-CB 3.24Å; D853-A856 WeakPolarHBondContact O-CB 3.31Å; D853-A856 PolarHBondContact O-N 3.31Å; D854-A856 PolarHBondContact O-N 2.9Å; D854-A856 VanDerWaalsContact O-N 3.1Å; A856-R860 WeakPolarHBondContact O-CG 3.47Å; A856-R860 VanDerWaalsContact O-CZ 3.25Å; A856-R860 PolarHBondContact O-NE 2.96Å; A856-R860 PolarHBondContact O-NH1 3.48Å
857	E	97.6	Very high	96.9	Very high	63 Å²	63	55.2 Å²	55.2	29%	0.294	27%	0.266	S	S	.	.	H	α-helix	trans	-73.3	-48.1	166.9	-163.1	-177.6	-162.5	0	0	110.9	L848 G849 D853 D854 A855 K859 R860	L848-E857 HydrophobicContact CD1-CG 3.73Å; G849-E857 PolarHBondContact N-OE2 3.16Å; D853-E857 HydrophobicContact CB-CB 4.13Å; D854-E857 VanDerWaalsContact O-CB 3.27Å; D854-E857 WeakPolarHBondContact O-CB 3.32Å; D854-E857 PolarHBondContact O-N 3.13Å; A855-E857 PolarHBondContact O-N 3Å; E857-K859 PolarHBondContact O-N 3.42Å; E857-R860 PolarHBondContact O-N 2.95Å
858	I	98.4	Very high	96.9	Very high	0 Å²	0	59 Å²	59	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-64.8	-40.3	-179.2	-56.7	166.2	0	0	0	111	L715 W788 L835 L839 L848 A855 R860 H861 F864	L715-I858 HydrophobicContact CD1-CB 3.94Å; L715-I858 HydrophobicContact CD1-CG2 3.47Å; L715-I858 VanDerWaalsContact CD1-CG2 3.47Å; W788-I858 HydrophobicContact CB-CD1 4.37Å; W788-I858 HydrophobicContact CD2-CD1 3.31Å; W788-I858 HydrophobicContact CE3-CD1 3.28Å; W788-I858 HydrophobicContact CG-CD1 3.82Å; W788-I858 HydrophobicContact CH2-CD1 4.13Å; W788-I858 HydrophobicContact CZ2-CD1 4.13Å; W788-I858 HydrophobicContact CZ3-CD1 3.71Å; L835-I858 HydrophobicContact CD1-CG2 4.24Å; L839-I858 HydrophobicContact CD2-CD1 3.98Å; L839-I858 HydrophobicContact CD2-CG1 4.21Å; L848-I858 HydrophobicContact CD2-CB 4.37Å; L848-I858 HydrophobicContact CD2-CG1 4Å; L848-I858 HydrophobicContact CD2-CG2 4.32Å; L848-I858 HydrophobicContact CG-CG1 3.84Å; A855-I858 PolarHBondContact O-N 3.48Å; A855-I858 VanDerWaalsContact O-N 3.1Å; I858-R860 PolarHBondContact O-N 3.3Å; I858-R860 VanDerWaalsContact O-N 3.09Å; I858-H861 VanDerWaalsContact O-CB 3.26Å; I858-H861 WeakPolarHBondContact O-CB 3.47Å; I858-H861 PolarHBondContact O-N 2.94Å; I858-F864 HydrophobicContact CG2-CD2 4.37Å; I858-F864 HydrophobicContact CG2-CE2 3.7Å; I858-F864 HydrophobicContact CG2-CZ 4.5Å; I858-F864 WeakPolarHBondContact O-CD2 3.39Å
859	K	98.4	Very high	96.9	Very high	44 Å²	44	60.2 Å²	60.2	19%	0.191	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-24.1	175.5	-72.3	-175.6	174.3	169.6	0	114.1	L715 E719 A855 E857 W869	L715-K859 HydrophobicContact CD1-CG 4.44Å; L715-K859 HydrophobicContact CD2-CD 4.22Å; L715-K859 HydrophobicContact CD2-CG 3.65Å; E719-K859 WeakPolarHBondContact OE1-CE 3.26Å; E719-K859 IonicContact OE1-NZ 3.58Å; E719-K859 PolarHBondContact OE1-NZ 3.03Å; E719-K859 WeakPolarHBondContact OE2-CE 3.4Å; E719-K859 IonicContact OE2-NZ 2.71Å; E719-K859 PolarHBondContact OE2-NZ 3.45Å; A855-K859 WeakPolarHBondContact O-CG 3.38Å; A855-K859 PolarHBondContact O-N 3.18Å; E857-K859 PolarHBondContact O-N 3.42Å; K859-W869 HydrophobicContact CB-CZ2 3.86Å; K859-W869 HydrophobicContact CD-CD2 3.93Å; K859-W869 HydrophobicContact CD-CE3 4.33Å; K859-W869 HydrophobicContact CD-CG 4.22Å; K859-W869 HydrophobicContact CD-CZ2 4.37Å; K859-W869 HydrophobicContact CG-CD2 4.05Å; K859-W869 HydrophobicContact CG-CE3 4.38Å; K859-W869 HydrophobicContact CG-CH2 3.96Å; K859-W869 HydrophobicContact CG-CZ2 3.57Å; K859-W869 HydrophobicContact CG-CZ3 4.34Å
860	R	97.6	Very high	96.9	Very high	155 Å²	155	66.4 Å²	66.4	59%	0.585	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.3	-7.1	178.2	-63.7	179	-59	-127.7	15	113.2	D853 A856 E857 I858	D853-R860 IonicContact OD2-CZ 3.89Å; D853-R860 VanDerWaalsContact OD2-CZ 3.22Å; D853-R860 IonicContact OD2-NH1 3.71Å; D853-R860 PolarHBondContact OD2-NH1 2.71Å; D853-R860 IonicContact OD2-NH2 2.73Å; D853-R860 PolarHBondContact OD2-NH2 2.76Å; A856-R860 WeakPolarHBondContact O-CG 3.47Å; A856-R860 VanDerWaalsContact O-CZ 3.25Å; A856-R860 PolarHBondContact O-NE 2.96Å; A856-R860 PolarHBondContact O-NH1 3.48Å; E857-R860 PolarHBondContact O-N 2.95Å; I858-R860 PolarHBondContact O-N 3.3Å; I858-R860 VanDerWaalsContact O-N 3.09Å
861	H	98.4	Very high	97	Very high	17 Å²	17	65.9 Å²	65.9	8%	0.079	32%	0.32	C	S	.	.	S	Bend	trans	-70.3	140.9	180	-172	-88.9	0	0	0	111.5	Q831 S834 L835 Q838 L848 I858 F863 F864	Q831-H861 PolarHBondContact O-CE1 2.91Å; S834-H861 PolarHBondContact OG-NE2 3.41Å; L835-H861 VanDerWaalsContact CA-CE1 3.47Å; L835-H861 WeakPolarHBondContact CA-CE1 3.45Å; L835-H861 HydrophobicContact CD1-CB 4.22Å; L835-H861 PolarHBondContact N-CE1 3.47Å; L835-H861 VanDerWaalsContact N-CE1 3.26Å; Q838-H861 PolarHBondContact NE2-NE2 3.47Å; Q838-H861 VanDerWaalsContact NE2-NE2 3.16Å; L848-H861 HydrophobicContact CD2-CB 4.37Å; I858-H861 VanDerWaalsContact O-CB 3.26Å; I858-H861 WeakPolarHBondContact O-CB 3.47Å; I858-H861 PolarHBondContact O-N 2.94Å; H861-F863 WeakPolarHBondContact ND1-CB 3.44Å; H861-F863 PolarHBondContact ND1-N 2.85Å; H861-F863 PolarHBondContact O-N 3.48Å; H861-F864 PolarHBondContact O-N 3.29Å
862	K	97.6	Very high	97.2	Very high	145 Å²	145	64.6 Å²	64.6	63%	0.63	31%	0.307	S	S	*	.	G	3₁₀ helix	trans	-56.9	-23	-173.4	-69.8	-173.8	177.7	-179.3	0	115.4	Q831 F864 Q865	Q831-K862 HydrophobicContact CG-CB 4.17Å; K862-F864 VanDerWaalsContact C-N 3.26Å; K862-F864 PolarHBondContact O-N 2.88Å; K862-Q865 VanDerWaalsContact O-CB 3.31Å; K862-Q865 WeakPolarHBondContact O-CB 3.21Å; K862-Q865 PolarHBondContact O-N 3.13Å
863	F	98.1	Very high	97.3	Very high	7 Å²	7	59.9 Å²	59.9	3%	0.031	29%	0.289	C	S	.	.	G	3₁₀ helix	trans	-60.8	-34.5	173	178	-98.3	0	0	0	112.5	E704 L708 Q831 S832 L835 H861	E704-F863 HydrophobicContact CG-CE2 4.02Å; L708-F863 HydrophobicContact CB-CE1 3.96Å; L708-F863 HydrophobicContact CB-CE2 4.46Å; L708-F863 HydrophobicContact CB-CZ 3.76Å; L708-F863 WeakPolarHBondContact CD1-O 3.35Å; L708-F863 HydrophobicContact CG-CE1 4.19Å; L708-F863 HydrophobicContact CG-CZ 4.37Å; Q831-F863 HydrophobicContact CB-CB 4.41Å; S832-F863 VanDerWaalsContact OG-CE2 3.31Å; S832-F863 WeakPolarHBondContact OG-CE2 3.35Å; L835-F863 HydrophobicContact CB-CB 4.17Å; L835-F863 HydrophobicContact CB-CG 4.49Å; L835-F863 HydrophobicContact CD2-CB 4Å; L835-F863 HydrophobicContact CD2-CD1 3.38Å; L835-F863 HydrophobicContact CD2-CE1 3.88Å; L835-F863 HydrophobicContact CD2-CG 3.73Å; H861-F863 WeakPolarHBondContact ND1-CB 3.44Å; H861-F863 PolarHBondContact ND1-N 2.85Å; H861-F863 PolarHBondContact O-N 3.48Å
864	F	97.9	Very high	97.3	Very high	3 Å²	3	58.4 Å²	58.4	1%	0.013	29%	0.289	C	S	.	.	G	3₁₀ helix	trans	-97.5	13.2	179	-57.2	-76.9	0	0	0	113.5	S712 L715 L835 I858 H861 K862 E866 M867 W869	S712-F864 WeakPolarHBondContact OG-CD1 3.26Å; S712-F864 WeakPolarHBondContact OG-CE1 3.13Å; L715-F864 HydrophobicContact CD1-CE2 4.14Å; L715-F864 HydrophobicContact CD1-CZ 4.08Å; L835-F864 HydrophobicContact CD1-CE2 4.1Å; L835-F864 HydrophobicContact CD2-CE2 3.63Å; L835-F864 HydrophobicContact CD2-CZ 3.87Å; I858-F864 HydrophobicContact CG2-CD2 4.37Å; I858-F864 HydrophobicContact CG2-CE2 3.7Å; I858-F864 HydrophobicContact CG2-CZ 4.5Å; I858-F864 WeakPolarHBondContact O-CD2 3.39Å; H861-F864 PolarHBondContact O-N 3.29Å; K862-F864 VanDerWaalsContact C-N 3.26Å; K862-F864 PolarHBondContact O-N 2.88Å; F864-E866 PolarHBondContact O-N 3.45Å; F864-E866 VanDerWaalsContact O-N 3.12Å; F864-M867 HydrophobicContact CB-CB 4.38Å; F864-M867 WeakPolarHBondContact O-CB 3.35Å; F864-M867 PolarHBondContact O-N 2.69Å; F864-W869 HydrophobicContact CB-CH2 4.22Å; F864-W869 HydrophobicContact CB-CZ2 3.61Å; F864-W869 AromaticContact CD1-CH2 3.73Å; F864-W869 HydrophobicContact CD1-CH2 3.73Å; F864-W869 HydrophobicContact CD1-CZ2 4.03Å; F864-W869 HydrophobicContact CE1-CH2 4.23Å; F864-W869 AromaticContact CG-CH2 3.98Å; F864-W869 HydrophobicContact CG-CH2 3.98Å; F864-W869 AromaticContact CG-CZ2 3.86Å; F864-W869 HydrophobicContact CG-CZ2 3.86Å
865	Q	93.4	Very high	97.3	Very high	156 Å²	156	60.6 Å²	60.6	73%	0.729	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	-25.9	-172.5	-177	174.9	-17.6	0	0	114.1	K862	K862-Q865 VanDerWaalsContact O-CB 3.31Å; K862-Q865 WeakPolarHBondContact O-CB 3.21Å; K862-Q865 PolarHBondContact O-N 3.13Å
866	E	90.9	Very high	97.2	Very high	172 Å²	172	67.6 Å²	67.6	80%	0.804	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.8	3.7	177	-60.4	-173	169.7	0	0	113.6	F864	F864-E866 PolarHBondContact O-N 3.45Å; F864-E866 VanDerWaalsContact O-N 3.12Å
867	M	97.5	Very high	97.1	Very high	21 Å²	21	68.1 Å²	68.1	10%	0.103	33%	0.328	C	S	.	.			trans	-88.1	116.6	-174.9	-176.8	49.9	61.3	0	0	112.7	L708 F864 W869 L872 L877	L708-M867 HydrophobicContact CD2-CE 3.46Å; L708-M867 VanDerWaalsContact CD2-CE 3.46Å; F864-M867 HydrophobicContact CB-CB 4.38Å; F864-M867 WeakPolarHBondContact O-CB 3.35Å; F864-M867 PolarHBondContact O-N 2.69Å; M867-W869 HydrophobicContact CB-CZ2 4.14Å; M867-W869 HydrophobicContact CG-CD2 3.81Å; M867-W869 HydrophobicContact CG-CE3 3.91Å; M867-W869 HydrophobicContact CG-CG 4.4Å; M867-W869 HydrophobicContact CG-CH2 4.05Å; M867-W869 HydrophobicContact CG-CZ2 3.95Å; M867-W869 HydrophobicContact CG-CZ3 4.04Å; M867-W869 PolarHBondContact O-N 3.34Å; M867-L872 HydrophobicContact CE-CD2 4.45Å; M867-L872 HydrophobicContact CG-CD2 4.49Å; M867-L872 HydrophobicContact SD-CB 3.99Å; M867-L872 HydrophobicContact SD-CD2 3.76Å; M867-L872 HydrophobicContact SD-CG 4.35Å; M867-L877 HydrophobicContact CE-CD1 4.27Å; M867-L877 HydrophobicContact SD-CD1 3.51Å; M867-L877 VanDerWaalsContact SD-CD1 3.51Å
868	D	97.8	Very high	97	Very high	84 Å²	84	73.9 Å²	73.9	45%	0.449	35%	0.352	S	S	.	.			trans	-82.2	99.1	165.7	-174.6	-25.6	0	0	0	109.4	D870 A871 L872 L877	D868-D870 VanDerWaalsContact C-N 3.34Å; D868-D870 PolarHBondContact O-N 3.13Å; D868-D870 PolarHBondContact OD1-N 3.06Å; D868-A871 HydrophobicContact CB-CB 3.93Å; D868-A871 WeakPolarHBondContact OD1-CB 3.4Å; D868-A871 PolarHBondContact OD1-N 3.35Å; D868-A871 WeakPolarHBondContact OD2-CB 3.46Å; D868-L872 VanDerWaalsContact O-CB 3.31Å; D868-L872 WeakPolarHBondContact O-CB 3.48Å; D868-L872 PolarHBondContact O-N 2.76Å; D868-L877 HydrophobicContact CB-CD1 4.46Å
869	W	98	Very high	96.9	Very high	42 Å²	42	74.5 Å²	74.5	16%	0.159	36%	0.356	C	S	.	.	H	α-helix	trans	-65.4	-33.9	-176.4	-61.9	101.8	0	0	0	113.5	L715 L716 K859 F864 M867 L873	L715-W869 HydrophobicContact CD1-CH2 4Å; L715-W869 HydrophobicContact CD2-CH2 4.16Å; L715-W869 HydrophobicContact CD2-CZ3 4.02Å; L716-W869 HydrophobicContact CD1-CE3 4.1Å; L716-W869 HydrophobicContact CD2-CE3 3.89Å; L716-W869 HydrophobicContact CD2-CZ3 4.48Å; L716-W869 HydrophobicContact CG-CE3 3.91Å; L716-W869 HydrophobicContact CG-CZ3 4.19Å; K859-W869 HydrophobicContact CB-CZ2 3.86Å; K859-W869 HydrophobicContact CD-CD2 3.93Å; K859-W869 HydrophobicContact CD-CE3 4.33Å; K859-W869 HydrophobicContact CD-CG 4.22Å; K859-W869 HydrophobicContact CD-CZ2 4.37Å; K859-W869 HydrophobicContact CG-CD2 4.05Å; K859-W869 HydrophobicContact CG-CE3 4.38Å; K859-W869 HydrophobicContact CG-CH2 3.96Å; K859-W869 HydrophobicContact CG-CZ2 3.57Å; K859-W869 HydrophobicContact CG-CZ3 4.34Å; F864-W869 HydrophobicContact CB-CH2 4.22Å; F864-W869 HydrophobicContact CB-CZ2 3.61Å; F864-W869 AromaticContact CD1-CH2 3.73Å; F864-W869 HydrophobicContact CD1-CH2 3.73Å; F864-W869 HydrophobicContact CD1-CZ2 4.03Å; F864-W869 HydrophobicContact CE1-CH2 4.23Å; F864-W869 AromaticContact CG-CH2 3.98Å; F864-W869 HydrophobicContact CG-CH2 3.98Å; F864-W869 AromaticContact CG-CZ2 3.86Å; F864-W869 HydrophobicContact CG-CZ2 3.86Å; M867-W869 HydrophobicContact CB-CZ2 4.14Å; M867-W869 HydrophobicContact CG-CD2 3.81Å; M867-W869 HydrophobicContact CG-CE3 3.91Å; M867-W869 HydrophobicContact CG-CG 4.4Å; M867-W869 HydrophobicContact CG-CH2 4.05Å; M867-W869 HydrophobicContact CG-CZ2 3.95Å; M867-W869 HydrophobicContact CG-CZ3 4.04Å; M867-W869 PolarHBondContact O-N 3.34Å; W869-L873 VanDerWaalsContact O-CB 3.3Å; W869-L873 WeakPolarHBondContact O-CB 3.3Å; W869-L873 PolarHBondContact O-N 3.5Å
870	D	97.6	Very high	96.6	Very high	129 Å²	129	75.2 Å²	75.2	69%	0.69	37%	0.365	S	S	*	.	H	α-helix	trans	-77	-42.6	-178.9	-70.5	-34.7	0	0	0	110.5	D868 L872 L873 A874	D868-D870 VanDerWaalsContact C-N 3.34Å; D868-D870 PolarHBondContact O-N 3.13Å; D868-D870 PolarHBondContact OD1-N 3.06Å; D870-L872 VanDerWaalsContact C-N 3.31Å; D870-L872 PolarHBondContact O-N 3.04Å; D870-L873 PolarHBondContact O-N 2.94Å; D870-A874 VanDerWaalsContact O-CB 3.25Å; D870-A874 WeakPolarHBondContact O-CB 3.46Å; D870-A874 PolarHBondContact O-N 2.96Å
871	A	97.9	Very high	96.3	Very high	12 Å²	12	71.3 Å²	71.3	10%	0.099	35%	0.352	C	S	.	.	H	α-helix	trans	-66.1	-32.6	172.4	0	0	0	0	0	112.3	D868 K875 Q876 L877	D868-A871 HydrophobicContact CB-CB 3.93Å; D868-A871 WeakPolarHBondContact OD1-CB 3.4Å; D868-A871 PolarHBondContact OD1-N 3.35Å; D868-A871 WeakPolarHBondContact OD2-CB 3.46Å; A871-K875 PolarHBondContact O-N 2.98Å; A871-Q876 HydrophobicContact CB-CB 4.29Å; A871-Q876 WeakPolarHBondContact O-CB 3.29Å; A871-Q876 PolarHBondContact O-N 3.13Å; A871-L877 HydrophobicContact CB-CD2 3.77Å; A871-L877 HydrophobicContact CB-CG 3.91Å; A871-L877 PolarHBondContact O-N 3.44Å
872	L	98.1	Very high	96	Very high	0 Å²	0	75.4 Å²	75.4	0%	0	37%	0.374	C	S	.	.	H	α-helix	trans	-65.4	-54.8	171.8	-177.3	59.8	0	0	0	110.4	F667 F709 S712 L716 Y743 M867 D868 D870 A874 K875 L877	F667-L872 HydrophobicContact CE2-CG 4.07Å; F667-L872 HydrophobicContact CZ-CD1 4.04Å; F667-L872 HydrophobicContact CZ-CG 3.93Å; F667-L872 WeakPolarHBondContact CZ-O 3.27Å; F709-L872 HydrophobicContact CD2-CD1 4.47Å; F709-L872 HydrophobicContact CE2-CD1 3.82Å; F709-L872 HydrophobicContact CZ-CD1 3.93Å; S712-L872 VanDerWaalsContact CB-CD2 3.4Å; L716-L872 HydrophobicContact CD1-CB 4.35Å; L716-L872 HydrophobicContact CD1-CD2 3.76Å; L716-L872 HydrophobicContact CD1-CG 3.99Å; Y743-L872 HydrophobicContact CE1-CD1 4.27Å; M867-L872 HydrophobicContact CE-CD2 4.45Å; M867-L872 HydrophobicContact CG-CD2 4.49Å; M867-L872 HydrophobicContact SD-CB 3.99Å; M867-L872 HydrophobicContact SD-CD2 3.76Å; M867-L872 HydrophobicContact SD-CG 4.35Å; D868-L872 VanDerWaalsContact O-CB 3.31Å; D868-L872 WeakPolarHBondContact O-CB 3.48Å; D868-L872 PolarHBondContact O-N 2.76Å; D870-L872 VanDerWaalsContact C-N 3.31Å; D870-L872 PolarHBondContact O-N 3.04Å; L872-A874 PolarHBondContact O-N 3.31Å; L872-K875 WeakPolarHBondContact O-CA 3.3Å; L872-K875 PolarHBondContact O-N 3.06Å; L872-L877 HydrophobicContact CB-CD1 3.94Å; L872-L877 HydrophobicContact CB-CG 4.49Å; L872-L877 HydrophobicContact CD1-CD1 4.46Å
873	L	97.2	Very high	95.7	Very high	71 Å²	71	69 Å²	69	37%	0.372	35%	0.348	S	S	.	.	H	α-helix	trans	-59.1	-34.6	-179.2	-173.8	64.2	0	0	0	112.3	H665 P666 F667 L716 W869 D870 K875	H665-L873 WeakPolarHBondContact NE2-CD1 3.38Å; P666-L873 HydrophobicContact CG-CD1 3.87Å; F667-L873 HydrophobicContact CE2-CD1 4.36Å; L716-L873 HydrophobicContact CD1-CB 4.25Å; L716-L873 HydrophobicContact CD1-CD1 4.47Å; W869-L873 VanDerWaalsContact O-CB 3.3Å; W869-L873 WeakPolarHBondContact O-CB 3.3Å; W869-L873 PolarHBondContact O-N 3.5Å; D870-L873 PolarHBondContact O-N 2.94Å; L873-K875 PolarHBondContact O-N 3.31Å
874	A	97	Very high	95.3	Very high	54 Å²	54	73.9 Å²	73.9	45%	0.446	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.7	5.3	174.3	0	0	0	0	0	114.8	D870 L872 Q876	D870-A874 VanDerWaalsContact O-CB 3.25Å; D870-A874 WeakPolarHBondContact O-CB 3.46Å; D870-A874 PolarHBondContact O-N 2.96Å; L872-A874 PolarHBondContact O-N 3.31Å; A874-Q876 VanDerWaalsContact C-N 3.3Å; A874-Q876 HydrophobicContact CB-CG 3.91Å; A874-Q876 PolarHBondContact O-N 3.13Å
875	K	97.3	Very high	95	Very high	58 Å²	58	76.4 Å²	76.4	25%	0.252	39%	0.391	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.8	42.2	-173.2	-68.3	-165.8	66.6	176.6	0	113.8	P666 F667 D739 D741 Y743 A871 L872 L873	P666-K875 HydrophobicContact CB-CD 4.23Å; P666-K875 HydrophobicContact CB-CG 4.23Å; F667-K875 HydrophobicContact CE1-CG 4.49Å; D739-K875 IonicContact OD1-NZ 3.59Å; D739-K875 IonicContact OD2-NZ 3.45Å; D739-K875 PolarHBondContact OD2-NZ 2.93Å; D741-K875 IonicContact OD2-NZ 2.86Å; D741-K875 PolarHBondContact OD2-NZ 3.03Å; Y743-K875 HydrophobicContact CD1-CG 4.3Å; Y743-K875 HydrophobicContact CD2-CD 4.43Å; Y743-K875 HydrophobicContact CE1-CB 4.14Å; Y743-K875 HydrophobicContact CE1-CG 3.99Å; Y743-K875 HydrophobicContact CE2-CB 4.33Å; Y743-K875 HydrophobicContact CE2-CD 4.45Å; Y743-K875 HydrophobicContact CE2-CG 4.45Å; Y743-K875 HydrophobicContact CG-CD 4.48Å; Y743-K875 VanDerWaalsContact OH-CA 3.28Å; Y743-K875 WeakPolarHBondContact OH-CA 3.47Å; Y743-K875 PolarHBondContact OH-O 3.02Å; A871-K875 PolarHBondContact O-N 2.98Å; L872-K875 WeakPolarHBondContact O-CA 3.3Å; L872-K875 PolarHBondContact O-N 3.06Å; L873-K875 PolarHBondContact O-N 3.31Å
876	Q	97.2	Very high	94.7	Very high	148 Å²	148	73.3 Å²	73.3	69%	0.692	39%	0.392	S	S	*	.			trans	-98.7	-25.4	177.3	-58.9	-177.4	25.8	0	0	113.3	A871 A874 K878	A871-Q876 HydrophobicContact CB-CB 4.29Å; A871-Q876 WeakPolarHBondContact O-CB 3.29Å; A871-Q876 PolarHBondContact O-N 3.13Å; A874-Q876 VanDerWaalsContact C-N 3.3Å; A874-Q876 HydrophobicContact CB-CG 3.91Å; A874-Q876 PolarHBondContact O-N 3.13Å; Q876-K878 PolarHBondContact O-N 3.04Å
877	L	96.4	Very high	94.4	Very high	50 Å²	50	67.3 Å²	67.3	26%	0.262	37%	0.372	S	S	.	.	S	Bend	trans	-74.8	117.9	177.6	-63.6	-171.9	0	0	0	111.8	F709 Y743 M867 D868 A871 L872 P879	F709-L877 HydrophobicContact CE2-CB 4.03Å; Y743-L877 PolarHBondContact OH-O 3.35Å; M867-L877 HydrophobicContact CE-CD1 4.27Å; M867-L877 HydrophobicContact SD-CD1 3.51Å; M867-L877 VanDerWaalsContact SD-CD1 3.51Å; D868-L877 HydrophobicContact CB-CD1 4.46Å; A871-L877 HydrophobicContact CB-CD2 3.77Å; A871-L877 HydrophobicContact CB-CG 3.91Å; A871-L877 PolarHBondContact O-N 3.44Å; L872-L877 HydrophobicContact CB-CD1 3.94Å; L872-L877 HydrophobicContact CB-CG 4.49Å; L872-L877 HydrophobicContact CD1-CD1 4.46Å; L877-P879 VanDerWaalsContact O-CD 3.26Å; L877-P879 WeakPolarHBondContact O-CD 3.32Å
878	K	94.9	Very high	93.5	Very high	183 Å²	183	71.1 Å²	71.1	80%	0.796	40%	0.398	S	S	*	.	P	Polyproline II helix	trans	-56.7	121.1	179.4	-177.3	-175.1	174.3	-176.3	0	111.7	Q876	Q876-K878 PolarHBondContact O-N 3.04Å
879	P	95.1	Very high	92.8	Very high	14 Å²	14	71.6 Å²	71.6	9%	0.091	40%	0.401	C	S	.	.	P	Polyproline II helix	trans	-62.7	150.8	177.1	-28.7	40	0	0	0	113.8	F709 D741 Y743 L877 F881	F709-P879 HydrophobicContact CE1-CB 3.81Å; F709-P879 HydrophobicContact CE1-CG 3.99Å; F709-P879 HydrophobicContact CZ-CB 3.93Å; F709-P879 HydrophobicContact CZ-CG 3.74Å; D741-P879 WeakPolarHBondContact O-CG 3.33Å; Y743-P879 HydrophobicContact CD1-CG 4.24Å; Y743-P879 HydrophobicContact CD2-CG 3.41Å; Y743-P879 VanDerWaalsContact CD2-CG 3.41Å; Y743-P879 HydrophobicContact CE1-CG 4.12Å; Y743-P879 HydrophobicContact CE2-CG 3.26Å; Y743-P879 HydrophobicContact CG-CG 3.96Å; L877-P879 VanDerWaalsContact O-CD 3.26Å; L877-P879 WeakPolarHBondContact O-CD 3.32Å; P879-F881 VanDerWaalsContact C-N 3.29Å; P879-F881 PolarHBondContact O-N 3.34Å
880	P	92.9	Very high	92.3	Very high	59 Å²	59	71 Å²	71	38%	0.383	40%	0.4	S	S	.	.	S	Bend	trans	-76.5	-16.1	-173.9	31.6	-36.9	0	0	0	113.5	Q706 F709 Y710	Q706-P880 HydrophobicContact CB-CG 4.3Å; Q706-P880 HydrophobicContact CG-CB 3.71Å; Q706-P880 HydrophobicContact CG-CG 3.77Å; F709-P880 HydrophobicContact CB-CG 4.03Å; F709-P880 HydrophobicContact CD1-CG 4.1Å; F709-P880 HydrophobicContact CG-CG 4.13Å; Y710-P880 HydrophobicContact CE1-CG 4.18Å
881	F	91.6	Very high	91.9	Very high	73 Å²	73	66.2 Å²	66.2	32%	0.32	38%	0.376	S	S	.	.			trans	-146.9	150	178.2	165.7	-94.2	0	0	0	108.7	H696 M738 P879 P883	H696-F881 AromaticContact CE1-CE1 3.65Å; H696-F881 AromaticContact CE1-CZ 3.9Å; H696-F881 AromaticContact ND1-CE1 3.61Å; H696-F881 AromaticContact ND1-CZ 3.68Å; M738-F881 HydrophobicContact CE-CD1 3.83Å; M738-F881 HydrophobicContact CE-CE1 4.16Å; M738-F881 HydrophobicContact SD-CD1 3.68Å; M738-F881 HydrophobicContact SD-CE1 3.72Å; P879-F881 VanDerWaalsContact C-N 3.29Å; P879-F881 PolarHBondContact O-N 3.34Å; F881-P883 HydrophobicContact CE1-CB 4.3Å
882	L	92.2	Very high	91.5	Very high	102 Å²	102	68.9 Å²	68.9	53%	0.534	39%	0.394	S	S	.	.			trans	-122.4	130.2	173.6	-62.7	177.4	0	0	0	108	D741	D741-L882 WeakPolarHBondContact O-CD2 3.42Å
883	P	90.3	Very high	91.1	Very high	12 Å²	12	69.8 Å²	69.8	8%	0.078	40%	0.398	C	S	.	.			trans	-66.6	142.5	179	28.4	-33.3	0	0	0	110.3	M738 D739 F881 I885	M738-P883 HydrophobicContact CG-CG 4.29Å; M738-P883 HydrophobicContact SD-CB 4.09Å; M738-P883 HydrophobicContact SD-CG 4.01Å; D739-P883 WeakPolarHBondContact O-CG 3.3Å; F881-P883 HydrophobicContact CE1-CB 4.3Å; P883-I885 HydrophobicContact CB-CD1 4.38Å; P883-I885 HydrophobicContact CB-CG1 4.4Å; P883-I885 HydrophobicContact CG-CD1 3.9Å; P883-I885 HydrophobicContact CG-CG1 4.44Å; P883-I885 PolarHBondContact O-N 3.34Å
884	T	89.9	Confident	90.6	Very high	109 Å²	109	67 Å²	67	67%	0.669	38%	0.383	S	S	*	.			trans	-78.4	121.4	172.7	-61.9	0	0	0	0	108.4	N893	T884-N893 PolarHBondContact O-ND2 3.34Å
885	I	91.8	Very high	90	Very high	55 Å²	55	67.1 Å²	67.1	28%	0.282	38%	0.376	S	S	.	.			trans	-134.1	108.6	-179.1	-61.1	162	0	0	0	106.7	P689 A740 P883 A887 D890	P689-I885 HydrophobicContact CB-CD1 3.77Å; P689-I885 HydrophobicContact CB-CG1 4.34Å; P689-I885 HydrophobicContact CG-CD1 3.65Å; A740-I885 HydrophobicContact CB-CD1 4.04Å; P883-I885 HydrophobicContact CB-CD1 4.38Å; P883-I885 HydrophobicContact CB-CG1 4.4Å; P883-I885 HydrophobicContact CG-CD1 3.9Å; P883-I885 HydrophobicContact CG-CG1 4.44Å; P883-I885 PolarHBondContact O-N 3.34Å; I885-A887 WeakPolarHBondContact CG2-O 3.25Å; I885-D890 HydrophobicContact CG2-CB 4.32Å
886	A	86.8	Confident	89.4	Confident	92 Å²	92	69.4 Å²	69.4	76%	0.76	39%	0.388	S	S	*	.	S	Bend	trans	-81	-24.8	-176.3	0	0	0	0	0	113.3	D890	A886-D890 WeakPolarHBondContact CB-OD2 3.36Å; A886-D890 PolarHBondContact N-OD2 3.23Å
887	A	85.6	Confident	88.8	Confident	46 Å²	46	66.6 Å²	66.6	38%	0.38	38%	0.375	S	S	.	.	S	Bend	trans	-159.2	163.5	-179.6	0	0	0	0	0	111.2	I885 L889 D890	I885-A887 WeakPolarHBondContact CG2-O 3.25Å; A887-L889 PolarHBondContact O-N 2.86Å; A887-D890 WeakPolarHBondContact O-CB 3.41Å; A887-D890 PolarHBondContact O-N 2.9Å
888	P	78.8	Confident	88.3	Confident	100 Å²	100	65.5 Å²	65.5	65%	0.649	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-23.8	174.9	-24.6	35.3	0	0	0	114.8	M630	M630-P888 WeakPolarHBondContact CE-O 3.5Å
889	L	83.1	Confident	88.1	Confident	95 Å²	95	58.2 Å²	58.2	50%	0.497	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.7	2.4	176	-63.5	163.9	0	0	0	112.7	V608 M630 A887 V891	V608-L889 HydrophobicContact CB-CD2 4.36Å; V608-L889 HydrophobicContact CG1-CD2 3.66Å; V608-L889 HydrophobicContact CG2-CD2 3.78Å; M630-L889 HydrophobicContact CE-CD2 3.63Å; M630-L889 HydrophobicContact CE-CG 4.47Å; M630-L889 HydrophobicContact SD-CD2 4.36Å; A887-L889 PolarHBondContact O-N 2.86Å; L889-V891 PolarHBondContact O-N 3.09Å
890	D	86.8	Confident	87.8	Confident	29 Å²	29	66.7 Å²	66.7	16%	0.155	37%	0.369	C	S	.	.			trans	-70.2	126.4	-179.7	-168.3	-4.3	0	0	0	110.4	Y687 I885 A886 A887 S892	Y687-D890 PolarHBondContact OH-O 3.08Å; Y687-D890 VanDerWaalsContact OH-O 3.13Å; I885-D890 HydrophobicContact CG2-CB 4.32Å; A886-D890 WeakPolarHBondContact CB-OD2 3.36Å; A886-D890 PolarHBondContact N-OD2 3.23Å; A887-D890 WeakPolarHBondContact O-CB 3.41Å; A887-D890 PolarHBondContact O-N 2.9Å; D890-S892 VanDerWaalsContact CG-OG 3.29Å; D890-S892 WeakPolarHBondContact OD1-CB 3.14Å; D890-S892 PolarHBondContact OD1-N 3.26Å; D890-S892 PolarHBondContact OD1-OG 3.46Å; D890-S892 PolarHBondContact OD2-OG 2.8Å
891	V	90.3	Very high	87.6	Confident	28 Å²	28	67 Å²	67	17%	0.17	37%	0.367	C	S	.	.			trans	-122.3	16	176.8	-63.1	0	0	0	0	111.8	L611 L621 L889 N893 F894 T899	L611-V891 HydrophobicContact CD2-CG1 3.94Å; L621-V891 HydrophobicContact CD2-CG1 3.51Å; L889-V891 PolarHBondContact O-N 3.09Å; V891-N893 PolarHBondContact O-N 3.07Å; V891-N893 VanDerWaalsContact O-N 3.13Å; V891-F894 HydrophobicContact CB-CD2 4.13Å; V891-F894 HydrophobicContact CG1-CD2 4.45Å; V891-F894 PolarHBondContact O-N 3.18Å; V891-T899 HydrophobicContact CB-CG2 3.79Å; V891-T899 HydrophobicContact CG2-CG2 3.68Å
892	S	88.8	Confident	87.4	Confident	68 Å²	68	71.7 Å²	71.7	48%	0.476	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-17.7	176.6	60.7	0	0	0	0	113.7	K695 D890 F894	K695-S892 PolarHBondContact NZ-O 3.37Å; D890-S892 VanDerWaalsContact CG-OG 3.29Å; D890-S892 WeakPolarHBondContact OD1-CB 3.14Å; D890-S892 PolarHBondContact OD1-N 3.26Å; D890-S892 PolarHBondContact OD1-OG 3.46Å; D890-S892 PolarHBondContact OD2-OG 2.8Å; S892-F894 VanDerWaalsContact C-N 3.35Å
893	N	89.2	Confident	87.4	Confident	19 Å²	19	68.7 Å²	68.7	10%	0.102	37%	0.374	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.3	1.6	171.3	-61.1	-46.8	0	0	0	114.5	P689 G690 K695 T884 V891	P689-N893 PolarHBondContact O-ND2 3Å; G690-N893 WeakPolarHBondContact O-CB 3.31Å; K695-N893 WeakPolarHBondContact CD-O 3.36Å; T884-N893 PolarHBondContact O-ND2 3.34Å; V891-N893 PolarHBondContact O-N 3.07Å; V891-N893 VanDerWaalsContact O-N 3.13Å
894	F	87.8	Confident	87.3	Confident	12 Å²	12	72 Å²	72	5%	0.053	39%	0.394	C	S	.	.	S	Bend	trans	-111.4	164.3	177	-65	-91.6	0	0	0	111.5	L611 Y687 S688 K695 V891 S892 E896 T899	L611-F894 HydrophobicContact CB-CD1 3.95Å; L611-F894 HydrophobicContact CB-CE1 4.06Å; L611-F894 HydrophobicContact CD1-CE1 4.22Å; L611-F894 HydrophobicContact CD1-CZ 4.26Å; L611-F894 HydrophobicContact CD2-CD1 3.86Å; L611-F894 HydrophobicContact CD2-CD2 3.76Å; L611-F894 HydrophobicContact CD2-CE1 3.93Å; L611-F894 HydrophobicContact CD2-CE2 3.84Å; L611-F894 HydrophobicContact CD2-CG 3.77Å; L611-F894 HydrophobicContact CD2-CZ 3.92Å; L611-F894 HydrophobicContact CG-CD1 4.4Å; L611-F894 HydrophobicContact CG-CE1 4.29Å; Y687-F894 AromaticContact CE2-CE2 3.8Å; Y687-F894 HydrophobicContact CE2-CE2 3.8Å; Y687-F894 AromaticContact CE2-CZ 3.67Å; Y687-F894 HydrophobicContact CE2-CZ 3.67Å; Y687-F894 WeakPolarHBondContact OH-CE2 3.5Å; S688-F894 WeakPolarHBondContact O-CZ 3.31Å; K695-F894 PolarHBondContact NZ-O 2.94Å; V891-F894 HydrophobicContact CB-CD2 4.13Å; V891-F894 HydrophobicContact CG1-CD2 4.45Å; V891-F894 PolarHBondContact O-N 3.18Å; S892-F894 VanDerWaalsContact C-N 3.35Å; F894-E896 PolarHBondContact O-N 3.26Å; F894-T899 HydrophobicContact CB-CG2 3.76Å
895	D	83.9	Confident	87	Confident	57 Å²	57	68.8 Å²	68.8	31%	0.305	37%	0.373	S	S	.	.			trans	-64.6	134.8	179.7	-163.9	-28.4	0	0	0	111.7	K484 E897 F898 T899	K484-D895 IonicContact NZ-OD2 2.85Å; K484-D895 PolarHBondContact NZ-OD2 3.43Å; D895-E897 VanDerWaalsContact C-N 3.26Å; D895-E897 PolarHBondContact O-N 2.86Å; D895-E897 WeakPolarHBondContact OD1-CB 3.25Å; D895-E897 PolarHBondContact OD1-N 2.98Å; D895-F898 HydrophobicContact CB-CD2 3.75Å; D895-F898 HydrophobicContact CB-CE2 4.19Å; D895-F898 HydrophobicContact CB-CG 4.45Å; D895-F898 PolarHBondContact O-N 2.86Å; D895-T899 WeakPolarHBondContact O-CG2 3.38Å; D895-T899 PolarHBondContact O-N 2.88Å; D895-T899 PolarHBondContact O-OG1 3.21Å; D895-T899 VanDerWaalsContact O-OG1 3.06Å
896	E	84.5	Confident	86.3	Confident	106 Å²	106	68.9 Å²	68.9	50%	0.495	38%	0.376	S	S	.	.	H	α-helix	trans	-65	-29.3	174.7	-74.1	-160.8	-149.9	0	0	112.7	F894 F898 T899 R900	F894-E896 PolarHBondContact O-N 3.26Å; E896-F898 PolarHBondContact O-N 3.45Å; E896-T899 WeakPolarHBondContact CA-OG1 3.46Å; E896-R900 VanDerWaalsContact O-CB 3.23Å; E896-R900 WeakPolarHBondContact O-CB 3.49Å; E896-R900 VanDerWaalsContact O-CD 3.23Å; E896-R900 WeakPolarHBondContact O-CD 3.42Å; E896-R900 WeakPolarHBondContact O-CG 3.39Å; E896-R900 PolarHBondContact O-N 2.8Å; E896-R900 VanDerWaalsContact O-N 3.15Å; E896-R900 IonicContact OE2-CZ 2.66Å; E896-R900 IonicContact OE2-NE 2.72Å; E896-R900 PolarHBondContact OE2-NE 3.33Å; E896-R900 IonicContact OE2-NH2 3.68Å; E896-R900 PolarHBondContact OE2-NH2 3.42Å
897	E	84.8	Confident	85.6	Confident	89 Å²	89	70 Å²	70	42%	0.416	37%	0.368	S	S	.	.	H	α-helix	trans	-57.2	-37	174.2	-169.5	-165.5	142.8	0	0	111.5	K484 D895 L901	K484-E897 VanDerWaalsContact CD-OE2 3.23Å; K484-E897 WeakPolarHBondContact CD-OE2 3.47Å; K484-E897 WeakPolarHBondContact CE-OE2 3.16Å; K484-E897 IonicContact NZ-OE2 2.86Å; K484-E897 PolarHBondContact NZ-OE2 3.29Å; D895-E897 VanDerWaalsContact C-N 3.26Å; D895-E897 PolarHBondContact O-N 2.86Å; D895-E897 WeakPolarHBondContact OD1-CB 3.25Å; D895-E897 PolarHBondContact OD1-N 2.98Å; E897-L901 WeakPolarHBondContact O-CG 3.43Å
898	F	86.3	Confident	84.6	Confident	28 Å²	28	68.9 Å²	68.9	12%	0.123	36%	0.357	C	S	.	.	H	α-helix	trans	-86.8	-50.3	178.9	-56.1	-41.7	0	0	0	111.7	K484 V610 L611 R613 D895 E896 R900 L901	K484-F898 HydrophobicContact CD-CE1 4.01Å; K484-F898 HydrophobicContact CD-CZ 3.71Å; V610-F898 CarbonylContact O-C 3.53Å; V610-F898 WeakPolarHBondContact O-CB 3.42Å; L611-F898 WeakPolarHBondContact O-CD2 3.28Å; R613-F898 HydrophobicContact CB-CD1 4.18Å; R613-F898 HydrophobicContact CB-CE1 3.93Å; D895-F898 HydrophobicContact CB-CD2 3.75Å; D895-F898 HydrophobicContact CB-CE2 4.19Å; D895-F898 HydrophobicContact CB-CG 4.45Å; D895-F898 PolarHBondContact O-N 2.86Å; E896-F898 PolarHBondContact O-N 3.45Å; F898-R900 PolarHBondContact O-N 3.26Å; F898-R900 VanDerWaalsContact O-N 3.15Å; F898-L901 WeakPolarHBondContact O-CB 3.39Å; F898-L901 WeakPolarHBondContact O-CG 3.4Å; F898-L901 PolarHBondContact O-N 3.17Å
899	T	89.4	Confident	83.7	Confident	29 Å²	29	73.3 Å²	73.3	18%	0.178	36%	0.361	C	S	.	.	H	α-helix	trans	-66.8	-20.7	-172.2	54.9	0	0	0	0	114	S609 V610 V891 F894 D895 E896 L901	S609-T899 WeakPolarHBondContact OG-CA 3.41Å; S609-T899 WeakPolarHBondContact OG-CB 3.37Å; S609-T899 PolarHBondContact OG-O 3.17Å; V610-T899 WeakPolarHBondContact O-CA 3.19Å; V610-T899 PolarHBondContact O-N 2.82Å; V891-T899 HydrophobicContact CB-CG2 3.79Å; V891-T899 HydrophobicContact CG2-CG2 3.68Å; F894-T899 HydrophobicContact CB-CG2 3.76Å; D895-T899 WeakPolarHBondContact O-CG2 3.38Å; D895-T899 PolarHBondContact O-N 2.88Å; D895-T899 PolarHBondContact O-OG1 3.21Å; D895-T899 VanDerWaalsContact O-OG1 3.06Å; E896-T899 WeakPolarHBondContact CA-OG1 3.46Å; T899-L901 VanDerWaalsContact C-N 3.32Å
900	R	89.1	Confident	82.5	Confident	193 Å²	193	73.1 Å²	73.1	73%	0.728	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.3	-10.9	170.6	-67.5	169.3	175.1	-118.1	5.8	114	E896 F898	E896-R900 VanDerWaalsContact O-CB 3.23Å; E896-R900 WeakPolarHBondContact O-CB 3.49Å; E896-R900 VanDerWaalsContact O-CD 3.23Å; E896-R900 WeakPolarHBondContact O-CD 3.42Å; E896-R900 WeakPolarHBondContact O-CG 3.39Å; E896-R900 PolarHBondContact O-N 2.8Å; E896-R900 VanDerWaalsContact O-N 3.15Å; E896-R900 IonicContact OE2-CZ 2.66Å; E896-R900 IonicContact OE2-NE 2.72Å; E896-R900 PolarHBondContact OE2-NE 3.33Å; E896-R900 IonicContact OE2-NH2 3.68Å; E896-R900 PolarHBondContact OE2-NH2 3.42Å; F898-R900 PolarHBondContact O-N 3.26Å; F898-R900 VanDerWaalsContact O-N 3.15Å
901	L	88.1	Confident	81.1	Confident	65 Å²	65	78 Å²	78	34%	0.34	40%	0.397	S	S	.	.	S	Bend	trans	-77.2	149.7	177.4	-59.3	175.4	0	0	0	111.5	V610 E897 F898 T899	V610-L901 HydrophobicContact CB-CB 4.24Å; V610-L901 HydrophobicContact CG1-CD1 4.47Å; V610-L901 HydrophobicContact CG2-CB 3.87Å; E897-L901 WeakPolarHBondContact O-CG 3.43Å; F898-L901 WeakPolarHBondContact O-CB 3.39Å; F898-L901 WeakPolarHBondContact O-CG 3.4Å; F898-L901 PolarHBondContact O-N 3.17Å; T899-L901 VanDerWaalsContact C-N 3.32Å
902	K	89	Confident	79.7	Confident	171 Å²	171	80.9 Å²	80.9	74%	0.743	42%	0.415	S	S	*	.			trans	-60.9	127.8	173.7	-68.8	-172.6	176.8	-176.2	0	110.8	V610 V904	V610-K902 WeakPolarHBondContact CG2-O 3.15Å; K902-V904 HydrophobicContact CB-CG2 4.19Å; K902-V904 PolarHBondContact O-N 3.47Å
903	P	90.3	Very high	78.8	Confident	40 Å²	40	82 Å²	82	26%	0.26	43%	0.428	S	S	.	.			trans	-80.1	65.5	-176.8	35.2	-38.4	0	0	0	111.4	C607	C607-P903 HydrophobicContact CB-CB 4.04Å; C607-P903 WeakPolarHBondContact CB-O 3.2Å
904	V	88.3	Confident	78.4	Confident	81 Å²	81	82.3 Å²	82.3	49%	0.491	43%	0.43	S	S	.	.	S	Bend	trans	-129.4	145.9	-178.7	-62.5	0	0	0	0	111.1	K902 T906	K902-V904 HydrophobicContact CB-CG2 4.19Å; K902-V904 PolarHBondContact O-N 3.47Å; V904-T906 PolarHBondContact O-N 3.49Å; V904-T906 PolarHBondContact O-OG1 3.44Å
905	L	85.1	Confident	78.2	Confident	42 Å²	42	84 Å²	84	22%	0.22	44%	0.444	C	S	.	.			trans	-52.4	136.2	164.1	-67.1	-176.7	0	0	0	108.7	M602 L620 A635 T677	M602-L905 HydrophobicContact CE-CD1 4.28Å; M602-L905 HydrophobicContact CE-CD2 4.22Å; M602-L905 HydrophobicContact CE-CG 3.96Å; M602-L905 HydrophobicContact CG-CD1 3.91Å; M602-L905 HydrophobicContact SD-CD1 3.73Å; M602-L905 HydrophobicContact SD-CD2 4.26Å; M602-L905 HydrophobicContact SD-CG 4.05Å; L620-L905 HydrophobicContact CD1-CD2 4.14Å; A635-L905 HydrophobicContact CB-CD2 3.5Å; A635-L905 VanDerWaalsContact CB-CD2 3.5Å; T677-L905 HydrophobicContact CG2-CD1 4.23Å
906	T	76.6	Confident	78.4	Confident	57 Å²	57	85 Å²	85	35%	0.35	46%	0.46	S	S	.	.			trans	-108.5	109.9	-172.4	-55.5	0	0	0	0	108	K618 K637 H680 V904	K618-T906 VanDerWaalsContact CE-OG1 3.27Å; K618-T906 WeakPolarHBondContact CE-OG1 3.43Å; K618-T906 PolarHBondContact NZ-OG1 2.86Å; K637-T906 WeakPolarHBondContact CE-O 3.37Å; H680-T906 PolarHBondContact NE2-O 3.18Å; V904-T906 PolarHBondContact O-N 3.49Å; V904-T906 PolarHBondContact O-OG1 3.44Å
907	L	72.6	Confident	78.4	Confident	115 Å²	115	87.5 Å²	87.5	60%	0.602	47%	0.472	S	S	*	.			trans	-55.5	153.5	180	-49.1	178.7	0	0	0	110.9	E679	E679-L907 WeakPolarHBondContact OE2-CD2 3.43Å
908	P	63.8	Low	78.6	Confident	22 Å²	22	86.6 Å²	86.6	14%	0.143	47%	0.468	C	S	.	.			trans	-50.4	144.7	167	-29.4	37.5	0	0	0	112.7	E679 T910	E679-P908 WeakPolarHBondContact OE2-CD 3.47Å; P908-T910 VanDerWaalsContact C-N 3.28Å; P908-T910 WeakPolarHBondContact CB-O 3.36Å; P908-T910 PolarHBondContact O-N 3.4Å
909	R	59.4	Low	78.6	Confident	194 Å²	194	87.3 Å²	87.3	73%	0.732	47%	0.471	S	S	*	.	S	Bend	trans	-68.4	-29.4	177.2	-80.9	-179.1	165.9	178.7	-5.9	112.8
910	T	59.1	Low	78.6	Confident	91 Å²	91	91.5 Å²	91.5	56%	0.558	49%	0.489	S	S	*	.	S	Bend	trans	-117.2	131	169	47.7	0	0	0	0	107.5	P908 T912	P908-T910 VanDerWaalsContact C-N 3.28Å; P908-T910 WeakPolarHBondContact CB-O 3.36Å; P908-T910 PolarHBondContact O-N 3.4Å; T910-T912 PolarHBondContact O-N 3.03Å; T910-T912 PolarHBondContact OG1-OG1 2.95Å
911	P	57.4	Low	78.5	Confident	130 Å²	130	85.8 Å²	85.8	84%	0.844	48%	0.475	S	S	*	.			trans	-75.7	61.9	177.1	32.7	-35.7	0	0	0	111	A913	P911-A913 PolarHBondContact O-N 3.18Å; P911-A913 VanDerWaalsContact O-N 3.12Å
912	T	60.8	Low	78.5	Confident	90 Å²	90	82.9 Å²	82.9	55%	0.552	46%	0.46	S	S	*	.			trans	-74.3	95.3	167	-44.5	0	0	0	0	106.8	T910 V914	T910-T912 PolarHBondContact O-N 3.03Å; T910-T912 PolarHBondContact OG1-OG1 2.95Å; T912-V914 PolarHBondContact O-N 3.5Å
913	A	68.4	Low	78.4	Confident	91 Å²	91	79.7 Å²	79.7	75%	0.752	45%	0.451	S	S	*	.	P	Polyproline II helix	trans	-63.4	119.9	177.4	0	0	0	0	0	109.5	P911 S915	P911-A913 PolarHBondContact O-N 3.18Å; P911-A913 VanDerWaalsContact O-N 3.12Å; A913-S915 PolarHBondContact O-N 3.06Å
914	V	80.8	Confident	78.2	Confident	25 Å²	25	85 Å²	85	15%	0.152	48%	0.477	C	S	.	.	P	Polyproline II helix	trans	-63.5	121	174.4	178.4	0	0	0	0	108.1	K638 I642 T912 E918 Q919	K638-V914 HydrophobicContact CB-CG2 4.09Å; I642-V914 HydrophobicContact CD1-CB 4.44Å; I642-V914 HydrophobicContact CD1-CG1 3.52Å; I642-V914 HydrophobicContact CD1-CG2 4.05Å; T912-V914 PolarHBondContact O-N 3.5Å; V914-E918 HydrophobicContact CG1-CB 3.48Å; V914-E918 VanDerWaalsContact CG1-CB 3.48Å; V914-Q919 HydrophobicContact CG1-CG 3.98Å
915	S	85.4	Confident	78.2	Confident	48 Å²	48	81.7 Å²	81.7	34%	0.336	46%	0.456	S	S	.	.	P	Polyproline II helix	trans	-66.4	162.8	-173.1	67.2	0	0	0	0	112.9	A913 E917 E918 Q919	A913-S915 PolarHBondContact O-N 3.06Å; S915-E917 PolarHBondContact O-N 3.5Å; S915-E917 VanDerWaalsContact O-N 3.13Å; S915-E918 WeakPolarHBondContact CB-OE2 3.43Å; S915-E918 PolarHBondContact N-OE2 2.94Å; S915-E918 PolarHBondContact O-N 3.13Å; S915-E918 VanDerWaalsContact OG-CG 3.31Å; S915-E918 WeakPolarHBondContact OG-CG 3.34Å; S915-E918 PolarHBondContact OG-N 3.04Å; S915-E918 PolarHBondContact OG-OE2 2.94Å; S915-Q919 VanDerWaalsContact O-CG 3.27Å; S915-Q919 WeakPolarHBondContact O-CG 3.23Å; S915-Q919 PolarHBondContact O-N 2.84Å
916	A	86.2	Confident	78.5	Confident	79 Å²	79	82.5 Å²	82.5	65%	0.653	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-18.7	178.2	0	0	0	0	0	113.7	Q920	A916-Q920 WeakPolarHBondContact O-CG 3.38Å; A916-Q920 PolarHBondContact O-NE2 3.32Å
917	E	86.3	Confident	79.1	Confident	157 Å²	157	82 Å²	82	73%	0.734	45%	0.454	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.8	-49.9	173.6	-66.4	174.1	-173	0	0	110.3	S915 Q919 Q920	S915-E917 PolarHBondContact O-N 3.5Å; S915-E917 VanDerWaalsContact O-N 3.13Å; E917-Q919 VanDerWaalsContact C-N 3.25Å; E917-Q919 PolarHBondContact O-N 3.05Å; E917-Q920 WeakPolarHBondContact O-CB 3.17Å; E917-Q920 PolarHBondContact O-N 2.82Å; E917-Q920 VanDerWaalsContact O-N 3.09Å
918	E	87.2	Confident	79.7	Confident	71 Å²	71	77.8 Å²	77.8	33%	0.332	43%	0.434	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62	-28.1	175.6	-67.9	163.6	115	0	0	113.4	I642 V914 S915 V921 F922	I642-E918 HydrophobicContact CD1-CB 3.84Å; I642-E918 HydrophobicContact CD1-CG 4.31Å; I642-E918 HydrophobicContact CG2-CG 4.4Å; V914-E918 HydrophobicContact CG1-CB 3.48Å; V914-E918 VanDerWaalsContact CG1-CB 3.48Å; S915-E918 WeakPolarHBondContact CB-OE2 3.43Å; S915-E918 PolarHBondContact N-OE2 2.94Å; S915-E918 PolarHBondContact O-N 3.13Å; S915-E918 VanDerWaalsContact OG-CG 3.31Å; S915-E918 WeakPolarHBondContact OG-CG 3.34Å; S915-E918 PolarHBondContact OG-N 3.04Å; S915-E918 PolarHBondContact OG-OE2 2.94Å; E918-V921 WeakPolarHBondContact O-CB 3.12Å; E918-V921 WeakPolarHBondContact O-CG2 3.42Å; E918-F922 WeakPolarHBondContact O-CE2 3.5Å
919	Q	88.2	Confident	80.7	Confident	43 Å²	43	81.9 Å²	81.9	20%	0.201	45%	0.454	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-33.4	174.2	-70.6	-71.2	-1	0	0	112.6	A678 V914 S915 E917 V921 F922	A678-Q919 PolarHBondContact O-NE2 3.11Å; V914-Q919 HydrophobicContact CG1-CG 3.98Å; S915-Q919 VanDerWaalsContact O-CG 3.27Å; S915-Q919 WeakPolarHBondContact O-CG 3.23Å; S915-Q919 PolarHBondContact O-N 2.84Å; E917-Q919 VanDerWaalsContact C-N 3.25Å; E917-Q919 PolarHBondContact O-N 3.05Å; Q919-V921 PolarHBondContact O-N 3.19Å; Q919-F922 PolarHBondContact O-N 2.88Å
920	Q	88.3	Confident	81.5	Confident	117 Å²	117	73.4 Å²	73.4	55%	0.547	42%	0.423	S	S	.	.	G	3₁₀ helix	trans	-62.7	-27.3	-176.1	-72.2	167	56.8	0	0	112.4	A916 E917 F922 N923	A916-Q920 WeakPolarHBondContact O-CG 3.38Å; A916-Q920 PolarHBondContact O-NE2 3.32Å; E917-Q920 WeakPolarHBondContact O-CB 3.17Å; E917-Q920 PolarHBondContact O-N 2.82Å; E917-Q920 VanDerWaalsContact O-N 3.09Å; Q920-F922 PolarHBondContact O-N 2.82Å; Q920-F922 VanDerWaalsContact O-N 3.14Å; Q920-N923 WeakPolarHBondContact O-CB 3.45Å; Q920-N923 VanDerWaalsContact O-CG 3.25Å; Q920-N923 PolarHBondContact O-N 2.91Å; Q920-N923 VanDerWaalsContact O-N 3.08Å; Q920-N923 PolarHBondContact O-ND2 2.9Å
921	V	86.4	Confident	81.5	Confident	72 Å²	72	76.5 Å²	76.5	44%	0.436	45%	0.448	S	S	.	.	G	3₁₀ helix	trans	-55.8	-25.9	174.1	-177.1	0	0	0	0	112.7	V647 E918 Q919	V647-V921 HydrophobicContact CB-CG1 4.16Å; V647-V921 HydrophobicContact CG1-CG1 3.26Å; V647-V921 HydrophobicContact CG2-CG1 3.77Å; E918-V921 WeakPolarHBondContact O-CB 3.12Å; E918-V921 WeakPolarHBondContact O-CG2 3.42Å; Q919-V921 PolarHBondContact O-N 3.19Å
922	F	89.1	Confident	82.7	Confident	5 Å²	5	73.9 Å²	73.9	2%	0.022	43%	0.429	C	S	.	.	G	3₁₀ helix	trans	-102.8	4.3	180	-52.3	-76.1	0	0	0	114	K638 I642 L650 Q676 V681 E918 Q919 Q920 D924 F925	K638-F922 HydrophobicContact CB-CE2 3.87Å; K638-F922 HydrophobicContact CB-CZ 4.03Å; K638-F922 HydrophobicContact CD-CD2 3.78Å; K638-F922 HydrophobicContact CD-CE2 3.96Å; K638-F922 HydrophobicContact CD-CG 4.31Å; K638-F922 HydrophobicContact CG-CD2 3.98Å; K638-F922 HydrophobicContact CG-CE1 4.34Å; K638-F922 HydrophobicContact CG-CE2 3.73Å; K638-F922 HydrophobicContact CG-CG 4.39Å; K638-F922 HydrophobicContact CG-CZ 3.92Å; I642-F922 HydrophobicContact CD1-CE2 3.99Å; I642-F922 HydrophobicContact CD1-CZ 4.27Å; I642-F922 HydrophobicContact CG1-CE2 4.19Å; I642-F922 HydrophobicContact CG1-CZ 4.03Å; L650-F922 HydrophobicContact CD2-CD1 3.86Å; L650-F922 HydrophobicContact CD2-CE1 3.63Å; Q676-F922 PolarHBondContact NE2-O 2.86Å; V681-F922 HydrophobicContact CG1-CB 4.49Å; V681-F922 HydrophobicContact CG1-CD1 3.72Å; V681-F922 HydrophobicContact CG1-CE1 4.22Å; V681-F922 HydrophobicContact CG1-CG 4.19Å; E918-F922 WeakPolarHBondContact O-CE2 3.5Å; Q919-F922 PolarHBondContact O-N 2.88Å; Q920-F922 PolarHBondContact O-N 2.82Å; Q920-F922 VanDerWaalsContact O-N 3.14Å; F922-D924 VanDerWaalsContact C-N 3.3Å; F922-D924 PolarHBondContact O-N 3.35Å; F922-F925 WeakPolarHBondContact O-CB 3.21Å; F922-F925 PolarHBondContact O-N 3.02Å
923	N	86.6	Confident	83.8	Confident	104 Å²	104	73 Å²	73	56%	0.556	42%	0.422	S	S	*	.	G	3₁₀ helix	trans	-53.7	-44.9	-174.9	-77.9	-18.1	0	0	0	112.9	Q920 F925	Q920-N923 WeakPolarHBondContact O-CB 3.45Å; Q920-N923 VanDerWaalsContact O-CG 3.25Å; Q920-N923 PolarHBondContact O-N 2.91Å; Q920-N923 VanDerWaalsContact O-N 3.08Å; Q920-N923 PolarHBondContact O-ND2 2.9Å; N923-F925 VanDerWaalsContact C-N 3.26Å; N923-F925 PolarHBondContact O-N 3.45Å
924	D	86.4	Confident	84.7	Confident	150 Å²	150	72 Å²	72	80%	0.802	40%	0.404	S	S	*	.	G	3₁₀ helix	trans	-86.6	16.3	-178.4	-59.4	-49.8	0	0	0	113.6	K654 F922	K654-D924 PolarHBondContact NZ-O 3.14Å; F922-D924 VanDerWaalsContact C-N 3.3Å; F922-D924 PolarHBondContact O-N 3.35Å
925	F	88.4	Confident	84.9	Confident	12 Å²	12	74.8 Å²	74.8	5%	0.053	42%	0.419	C	S	.	.	G	3₁₀ helix	trans	-73.2	-40.2	179.8	-171.6	-100.2	0	0	0	112.7	L650 K654 C674 F675 V681 F683 F922 N923	L650-F925 HydrophobicContact CD1-CE2 4.19Å; L650-F925 HydrophobicContact CD2-CD2 4.28Å; L650-F925 HydrophobicContact CD2-CE2 4.15Å; L650-F925 HydrophobicContact CG-CE2 4.11Å; K654-F925 HydrophobicContact CD-CD2 4.48Å; K654-F925 PolarHBondContact NZ-O 3.38Å; C674-F925 HydrophobicContact CB-CD1 3.8Å; C674-F925 HydrophobicContact CB-CE1 3.51Å; C674-F925 HydrophobicContact CB-CG 4.49Å; C674-F925 HydrophobicContact CB-CZ 3.99Å; C674-F925 WeakPolarHBondContact CB-O 3.35Å; C674-F925 VanDerWaalsContact SG-CZ 3.59Å; F675-F925 WeakPolarHBondContact O-CE1 3.38Å; V681-F925 HydrophobicContact CB-CD1 4.13Å; V681-F925 HydrophobicContact CB-CE1 3.73Å; V681-F925 HydrophobicContact CB-CE2 4.19Å; V681-F925 HydrophobicContact CB-CZ 3.77Å; V681-F925 HydrophobicContact CG1-CD1 4.13Å; V681-F925 HydrophobicContact CG1-CD2 4.46Å; V681-F925 HydrophobicContact CG1-CE1 4.26Å; V681-F925 HydrophobicContact CG1-CG 4.25Å; V681-F925 HydrophobicContact CG1-CZ 4.48Å; V681-F925 HydrophobicContact CG2-CZ 4.48Å; F683-F925 HydrophobicContact CD1-CZ 4.13Å; F683-F925 HydrophobicContact CD2-CZ 4.21Å; F683-F925 AromaticContact CE1-CE2 3.92Å; F683-F925 HydrophobicContact CE1-CE2 3.92Å; F683-F925 AromaticContact CE1-CZ 3.88Å; F683-F925 HydrophobicContact CE1-CZ 3.88Å; F683-F925 HydrophobicContact CE2-CE2 4.21Å; F683-F925 AromaticContact CE2-CZ 3.99Å; F683-F925 HydrophobicContact CE2-CZ 3.99Å; F683-F925 HydrophobicContact CG-CZ 4.29Å; F683-F925 AromaticContact CZ-CE2 3.7Å; F683-F925 HydrophobicContact CZ-CE2 3.7Å; F683-F925 AromaticContact CZ-CZ 3.82Å; F683-F925 HydrophobicContact CZ-CZ 3.82Å; F922-F925 WeakPolarHBondContact O-CB 3.21Å; F922-F925 PolarHBondContact O-N 3.02Å; N923-F925 VanDerWaalsContact C-N 3.26Å; N923-F925 PolarHBondContact O-N 3.45Å
926	D	90.6	Very high	84.9	Confident	59 Å²	59	76.4 Å²	76.4	32%	0.316	42%	0.424	S	S	.	.			trans	-75.4	136.6	-165.9	-70.8	24.7	0	0	0	113.4	C674 F675 Q676	C674-D926 CarbonylContact O-C 3.45Å; C674-D926 WeakPolarHBondContact O-CA 3.5Å; F675-D926 WeakPolarHBondContact CA-OD1 3.11Å; Q676-D926 WeakPolarHBondContact CG-OD1 3.48Å; Q676-D926 PolarHBondContact N-OD1 3.05Å; Q676-D926 VanDerWaalsContact N-OD1 3.14Å; Q676-D926 PolarHBondContact N-OD2 3.16Å; Q676-D926 PolarHBondContact NE2-OD1 3.42Å
927	F	88.9	Confident	84.8	Confident	48 Å²	48	76.3 Å²	76.3	21%	0.211	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.7	162.5	168	78.8	-88.5	0	0	0	111.5	L671 G673 C674 L929	L671-F927 HydrophobicContact CD2-CE1 3.78Å; L671-F927 HydrophobicContact CD2-CZ 3.54Å; L671-F927 HydrophobicContact CG-CE1 4.48Å; L671-F927 HydrophobicContact CG-CZ 3.88Å; G673-F927 CarbonylContact C-O 3.47Å; G673-F927 VanDerWaalsContact CA-O 3.24Å; G673-F927 WeakPolarHBondContact CA-O 3.27Å; C674-F927 HydrophobicContact CB-CD1 3.65Å; C674-F927 HydrophobicContact CB-CE1 3.77Å; C674-F927 PolarHBondContact N-O 2.84Å; C674-F927 PolarHBondContact O-N 3.14Å; C674-F927 VanDerWaalsContact SG-CE1 3.59Å; F927-L929 HydrophobicContact CD2-CG 4.23Å; F927-L929 HydrophobicContact CE2-CD1 4.06Å; F927-L929 HydrophobicContact CE2-CG 3.94Å
928	S	86.8	Confident	84.7	Confident	25 Å²	25	70.5 Å²	70.5	18%	0.175	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	136.2	174.1	-175	0	0	0	0	112.6	S597 I930	S597-S928 WeakPolarHBondContact OG-CB 3.34Å; S928-I930 PolarHBondContact OG-N 3.27Å; S928-I930 PolarHBondContact OG-O 2.95Å; S928-I930 VanDerWaalsContact OG-O 3.13Å
929	L	83.7	Confident	84.5	Confident	108 Å²	108	70.5 Å²	70.5	57%	0.565	39%	0.389	S	S	*	.			trans	-113.2	12.7	161.6	-58.3	173.8	0	0	0	110.9	H672 F927	H672-L929 CarbonylContact O-C 3.51Å; H672-L929 WeakPolarHBondContact O-CA 3.38Å; H672-L929 WeakPolarHBondContact O-CB 3.28Å; H672-L929 PolarHBondContact O-N 3.14Å; F927-L929 HydrophobicContact CD2-CG 4.23Å; F927-L929 HydrophobicContact CE2-CD1 4.06Å; F927-L929 HydrophobicContact CE2-CG 3.94Å
930	I	77.5	Confident	84.2	Confident	16 Å²	16	72.8 Å²	72.8	8%	0.082	41%	0.405	C	S	.	.			trans	-91.7	124.5	172.6	-55.7	-179.6	0	0	0	108.3	L600 F605 Y624 F631 H672 V684 S928	L600-I930 HydrophobicContact CD1-CD1 4.05Å; L600-I930 HydrophobicContact CD1-CG1 4.44Å; L600-I930 HydrophobicContact CD2-CB 4.41Å; L600-I930 HydrophobicContact CD2-CD1 4.29Å; F605-I930 HydrophobicContact CZ-CD1 4.19Å; Y624-I930 HydrophobicContact CD1-CG2 3.79Å; Y624-I930 HydrophobicContact CE1-CG2 3.38Å; Y624-I930 HydrophobicContact CE2-CG2 4.36Å; Y624-I930 HydrophobicContact CG-CG2 4.41Å; F631-I930 HydrophobicContact CD1-CD1 4.46Å; F631-I930 HydrophobicContact CE1-CD1 3.87Å; F631-I930 HydrophobicContact CE1-CG1 4.31Å; F631-I930 HydrophobicContact CE2-CD1 4.23Å; F631-I930 HydrophobicContact CZ-CD1 3.73Å; F631-I930 HydrophobicContact CZ-CG1 4.19Å; H672-I930 HydrophobicContact CB-CD1 4.12Å; H672-I930 HydrophobicContact CB-CG1 3.85Å; V684-I930 HydrophobicContact CG1-CD1 3.95Å; S928-I930 PolarHBondContact OG-N 3.27Å; S928-I930 PolarHBondContact OG-O 2.95Å; S928-I930 VanDerWaalsContact OG-O 3.13Å
931	S	57.8	Low	83.8	Confident	157 Å²	157	68.7 Å²	68.7	100%	1.098	39%	0.392	S	S	*	.			trans	-91.1	0	171.9	60.7	0	0	0	0	111.4

Retrieved 931 of 931 residues in 671.3 ms (Link to these results)

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