A0A077Z221_TRITR Loading...

RVT 1 and Peptidase A17 and DUF1758 domain contai ning protein

AlphaFold DB , UniProt , Accession A0A077Z221, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 839 aa.

						>A0A077Z221_TRITR|A0A077Z221
MANDQGACRCCLKTGHLARDCRRRRCKVVGCDKFHHDLLHSHSGSLMALRPRKLTKSATELHDAIVQVGFSDTRSKERVFLQTAQGTLKSASGRRSKVTVLLDVGSQRSFIRKDIAEGLRLEGHSEKVIISTLGGKLSKIGKHKCVTFTLHGKGGGKGTVVSALCIDRICSVLESNPPLKEEWSHLQGVTLGDSFPRGPATVDVLISADYYHDFMKFGQLRGQVGQAIAVQSTLGWIVGGKSETSIHQREISALYATIEQQLDEDLRKFWEVESLSLEKSDTCESIGTDNANQQCGVAFDGERYTVSLPWKTEDLVLPDNYHMALQKLKQTEARLSRDASLNAAYCKEMNKYIRNGWVEKTNQKGLEGRTWYLPHHMVVRHDKTSTRYRIIFDTSCRYRGVSLNDALISGPRLQNDLLGIILRFRRFPIALQADISKMFMQVCLREEDRDVSRFLWRSSQTEDRPEVFRFTRICFGLNCSPFLALNVLRRHVQQQSPEYHEDVHDILKNMYVDDFVTSCNIIEDAHRIVKNTSHLLQTAGFRLTKWSSNVQESLEGLAREDVQCEEDVSKVLGMLWDRTSDNFTFKVPTGITLSSPGTKRELVSMAAKLYDPLGLLTPSTIRAKILFQRTWQSGTAWDETLPEDITREWWSWRLELTALPLVTLARRLIPMRKEDVATKDLHVFTDASEDAYGAVVYLRTTTKRGKNSMVIVASKSRVAPLKKLSVPRLELMGALIGARLVSYVKEVMELEIDAVHCWTDSKVALAWICSVTKQWKPFVKNRVEEIQSLTEPNSWRHCPGKENPADYATRGLALCKLVKERQWWNGPIRLESNEDAWPP
					

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(Predicted Aligned Error values between residue pairs)

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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	51.4	Low	74.7	Confident	189 Å²	189	75.3 Å²	75.3	93%	0.931	40%	0.404	S	S	*	.				0	-71.7	0	-67.6	-160.9	-143.5	0	0	112.7	N3 D4 Q5	M1-N3 VanDerWaalsContact C-N 3.35Å; M1-N3 PolarHBondContact O-N 3.44Å; M1-D4 PolarHBondContact N-OD2 3.09Å; M1-D4 PolarHBondContact O-N 3.14Å; M1-D4 VanDerWaalsContact O-N 3.1Å; M1-Q5 PolarHBondContact O-N 3.36Å; M1-Q5 VanDerWaalsContact O-N 3.11Å
2	A	60.6	Low	75.5	Confident	18 Å²	18	74.3 Å²	74.3	15%	0.149	40%	0.398	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-41	-176	0	0	0	0	0	114.1	G6 A7 L12	A2-G6 PolarHBondContact O-N 3.2Å; A2-A7 PolarHBondContact O-N 3.2Å; A2-L12 HydrophobicContact CB-CD2 4.31Å
3	N	62.2	Low	76.2	Confident	98 Å²	98	80.1 Å²	80.1	52%	0.524	42%	0.418	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-35.6	176.1	-73.9	16.2	0	0	0	112.9	M1 Q5 G6 R9	M1-N3 VanDerWaalsContact C-N 3.35Å; M1-N3 PolarHBondContact O-N 3.44Å; N3-Q5 PolarHBondContact O-N 2.99Å; N3-G6 PolarHBondContact O-N 3.31Å; N3-R9 PolarHBondContact ND2-NH2 3.3Å; N3-R9 PolarHBondContact OD1-NE 3.43Å
4	D	70.5	Confident	76.7	Confident	140 Å²	140	81.4 Å²	81.4	75%	0.749	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.6	-18.8	-177.4	-46.6	-49.8	0	0	0	112.2	M1	M1-D4 PolarHBondContact N-OD2 3.09Å; M1-D4 PolarHBondContact O-N 3.14Å; M1-D4 VanDerWaalsContact O-N 3.1Å
5	Q	73.9	Confident	77.2	Confident	156 Å²	156	81.4 Å²	81.4	73%	0.729	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.3	8.8	177.1	-67.2	-161.6	-12.9	0	0	114.2	M1 N3 A7	M1-Q5 PolarHBondContact O-N 3.36Å; M1-Q5 VanDerWaalsContact O-N 3.11Å; N3-Q5 PolarHBondContact O-N 2.99Å; Q5-A7 PolarHBondContact O-N 3.34Å
6	G	76.4	Confident	77.7	Confident	53 Å²	53	79.8 Å²	79.8	55%	0.546	45%	0.446	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.8	24.1	-179.3	0	0	0	0	0	114.2	A2 N3	A2-G6 PolarHBondContact O-N 3.2Å; N3-G6 PolarHBondContact O-N 3.31Å
7	A	82.4	Confident	77.9	Confident	16 Å²	16	81 Å²	81	13%	0.132	45%	0.45	C	S	.	.	B	Isolated β-bridge	trans	-87.3	141	179.2	0	0	0	0	0	111.4	A2 Q5 R9 T14	A2-A7 PolarHBondContact O-N 3.2Å; Q5-A7 PolarHBondContact O-N 3.34Å; A7-R9 PolarHBondContact O-N 2.77Å; A7-T14 HydrophobicContact CB-CG2 4.27Å
8	C	84.9	Confident	77.8	Confident	2 Å²	2	78.4 Å²	78.4	1%	0.014	44%	0.441	C	S	.	.			trans	-61.2	124.2	175	173.9	0	0	0	0	111	C10 C11 L12 K13 H16 C21	C8-C10 PolarHBondContact O-N 2.99Å; C8-C10 VanDerWaalsContact O-N 3.15Å; C8-C10 PolarHBondContact SG-N 3.39Å; C8-C10 VanDerWaalsContact SG-N 3.44Å; C8-C11 PolarHBondContact O-N 3.36Å; C8-L12 WeakPolarHBondContact O-CA 3.45Å; C8-L12 PolarHBondContact O-N 2.75Å; C8-K13 VanDerWaalsContact CB-O 3.3Å; C8-K13 WeakPolarHBondContact CB-O 3.44Å; C8-K13 PolarHBondContact N-O 3.45Å; C8-H16 WeakPolarHBondContact CB-NE2 3.36Å; C8-H16 WeakPolarHBondContact CB-O 3.36Å; C8-H16 PolarHBondContact SG-NE2 3.28Å; C8-C21 VanDerWaalsContact SG-CB 3.58Å
9	R	84.8	Confident	78	Confident	127 Å²	127	84.9 Å²	84.9	48%	0.479	46%	0.458	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-25.7	178.9	-76.9	-176.3	159.9	-164.8	-11.6	114.3	N3 A7 A18 H35 H36 L39	N3-R9 PolarHBondContact ND2-NH2 3.3Å; N3-R9 PolarHBondContact OD1-NE 3.43Å; A7-R9 PolarHBondContact O-N 2.77Å; R9-A18 HydrophobicContact CB-CB 4.45Å; R9-H35 CarbonylContact O-C 3.39Å; R9-H35 VanDerWaalsContact O-CA 3.24Å; R9-H35 WeakPolarHBondContact O-CA 3.2Å; R9-H36 PolarHBondContact O-N 3.09Å; R9-L39 WeakPolarHBondContact O-CD1 3.48Å
10	C	86.7	Confident	78.2	Confident	4 Å²	4	85.7 Å²	85.7	3%	0.027	46%	0.462	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.7	-32	-176.9	-63.2	0	0	0	0	114	C8 C21 R23 F34	C8-C10 PolarHBondContact O-N 2.99Å; C8-C10 VanDerWaalsContact O-N 3.15Å; C8-C10 PolarHBondContact SG-N 3.39Å; C8-C10 VanDerWaalsContact SG-N 3.44Å; C10-C21 HydrophobicContact CB-CB 4.02Å; C10-R23 HydrophobicContact CB-CB 4.49Å; C10-R23 WeakPolarHBondContact CB-O 3.21Å; C10-F34 VanDerWaalsContact SG-C 3.6Å
11	C	88.2	Confident	78.4	Confident	25 Å²	25	82 Å²	82	17%	0.169	44%	0.443	C	S	.	.	T	Hydrogen-bonded Turn	trans	-127.2	-5.1	-174.8	74.4	0	0	0	0	114.5	C8 K13 H16	C8-C11 PolarHBondContact O-N 3.36Å; C11-K13 PolarHBondContact O-N 3Å; C11-K13 VanDerWaalsContact O-N 3.09Å; C11-K13 PolarHBondContact SG-N 2.9Å; C11-K13 VanDerWaalsContact SG-N 3.43Å; C11-H16 PolarHBondContact SG-CE1 3.22Å; C11-H16 PolarHBondContact SG-NE2 3.26Å
12	L	84.1	Confident	79.9	Confident	63 Å²	63	85.1 Å²	85.1	33%	0.33	44%	0.444	S	S	.	.			trans	59.6	9.2	-176.3	-54.1	175.3	0	0	0	115.2	A2 C8 H36 L38 L39	A2-L12 HydrophobicContact CB-CD2 4.31Å; C8-L12 WeakPolarHBondContact O-CA 3.45Å; C8-L12 PolarHBondContact O-N 2.75Å; L12-H36 HydrophobicContact CD1-CB 3.96Å; L12-H36 HydrophobicContact CD2-CB 4.12Å; L12-H36 HydrophobicContact CG-CB 3.75Å; L12-L38 HydrophobicContact CD1-CB 4.33Å; L12-L38 HydrophobicContact CD1-CD1 3.94Å; L12-L39 HydrophobicContact CD2-CD1 4.24Å; L12-L39 HydrophobicContact CD2-CG 4.47Å
13	K	84.9	Confident	80.6	Confident	150 Å²	150	88.4 Å²	88.4	65%	0.652	45%	0.453	S	S	*	.			trans	-85.5	144.5	171.5	-59.5	-174.8	176	-172.6	0	110.7	C8 C11	C8-K13 VanDerWaalsContact CB-O 3.3Å; C8-K13 WeakPolarHBondContact CB-O 3.44Å; C8-K13 PolarHBondContact N-O 3.45Å; C11-K13 PolarHBondContact O-N 3Å; C11-K13 VanDerWaalsContact O-N 3.09Å; C11-K13 PolarHBondContact SG-N 2.9Å; C11-K13 VanDerWaalsContact SG-N 3.43Å
14	T	83.5	Confident	81.1	Confident	99 Å²	99	92.3 Å²	92.3	61%	0.607	46%	0.46	S	S	*	.	B	Isolated β-bridge	trans	-75.6	167.2	169.4	50.6	0	0	0	0	111	A7	A7-T14 HydrophobicContact CB-CG2 4.27Å
15	G	83.3	Confident	81.5	Confident	81 Å²	81	93.8 Å²	93.8	84%	0.835	46%	0.455	S	S	*	.	S	Bend	trans	94	0.2	174.4	0	0	0	0	0	116.3
16	H	85.5	Confident	81.9	Confident	56 Å²	56	87 Å²	87	26%	0.259	43%	0.425	S	S	.	.	S	Bend	trans	-157.5	159.3	171	64.1	-74.7	0	0	0	111.4	C8 C11 D20	C8-H16 WeakPolarHBondContact CB-NE2 3.36Å; C8-H16 WeakPolarHBondContact CB-O 3.36Å; C8-H16 PolarHBondContact SG-NE2 3.28Å; C11-H16 PolarHBondContact SG-CE1 3.22Å; C11-H16 PolarHBondContact SG-NE2 3.26Å; H16-D20 HydrophobicContact CB-CB 4.22Å
17	L	80.2	Confident	82.2	Confident	100 Å²	100	91.7 Å²	91.7	52%	0.524	43%	0.43	S	S	.	.			trans	-90.2	164.3	174.5	-67.1	171.1	0	0	0	110.8	R19 D20 C21	L17-R19 HydrophobicContact CB-CG 4Å; L17-R19 PolarHBondContact O-N 3.45Å; L17-R19 VanDerWaalsContact O-N 3.1Å; L17-D20 PolarHBondContact O-N 3.13Å; L17-C21 PolarHBondContact O-N 3.41Å
18	A	77.6	Confident	82.2	Confident	35 Å²	35	93.1 Å²	93.1	29%	0.289	44%	0.437	S	S	.	.	G	3₁₀ helix	trans	-54.8	-31.7	178.7	0	0	0	0	0	113.3	R9 D20 C21	R9-A18 HydrophobicContact CB-CB 4.45Å; A18-D20 VanDerWaalsContact C-N 3.3Å; A18-D20 PolarHBondContact O-N 3.15Å; A18-C21 WeakPolarHBondContact O-CB 3.43Å; A18-C21 PolarHBondContact O-N 3.42Å
19	R	80	Confident	81.9	Confident	201 Å²	201	100 Å²	100	76%	0.758	48%	0.479	S	S	*	.	G	3₁₀ helix	trans	-66.1	-27.7	176.2	65.6	-179.9	-178	-167.2	-0.8	114	L17	L17-R19 HydrophobicContact CB-CG 4Å; L17-R19 PolarHBondContact O-N 3.45Å; L17-R19 VanDerWaalsContact O-N 3.1Å
20	D	82.7	Confident	81.6	Confident	101 Å²	101	97.7 Å²	97.7	54%	0.54	50%	0.495	S	S	.	.	G	3₁₀ helix	trans	-100.4	3.4	-177.2	-52.5	-51.8	0	0	0	111.8	H16 L17 A18	H16-D20 HydrophobicContact CB-CB 4.22Å; L17-D20 PolarHBondContact O-N 3.13Å; A18-D20 VanDerWaalsContact C-N 3.3Å; A18-D20 PolarHBondContact O-N 3.15Å
21	C	82.6	Confident	81.3	Confident	8 Å²	8	98.2 Å²	98.2	5%	0.054	50%	0.498	C	S	.	.			trans	-80.1	132.8	-176.9	-170	0	0	0	0	111.7	C8 C10 L17 A18 R23	C8-C21 VanDerWaalsContact SG-CB 3.58Å; C10-C21 HydrophobicContact CB-CB 4.02Å; L17-C21 PolarHBondContact O-N 3.41Å; A18-C21 WeakPolarHBondContact O-CB 3.43Å; A18-C21 PolarHBondContact O-N 3.42Å; C21-R23 PolarHBondContact O-N 3.1Å; C21-R23 PolarHBondContact SG-N 3.02Å; C21-R23 PolarHBondContact SG-O 3.46Å
22	R	82.6	Confident	80.9	Confident	255 Å²	255	103.3 Å²	103.3	96%	0.962	52%	0.524	S	S	*	.	S	Bend	trans	-64.4	-21.8	170.3	-65.5	-173.3	-177.9	-171.3	0.7	112.9
23	R	76	Confident	80.7	Confident	86 Å²	86	106.7 Å²	106.7	33%	0.325	54%	0.536	S	S	.	.			trans	-90.2	107.9	175.8	-145.1	178.6	-176.8	-176.9	-5.5	108.6	C10 C21 H36 D37	C10-R23 HydrophobicContact CB-CB 4.49Å; C10-R23 WeakPolarHBondContact CB-O 3.21Å; C21-R23 PolarHBondContact O-N 3.1Å; C21-R23 PolarHBondContact SG-N 3.02Å; C21-R23 PolarHBondContact SG-O 3.46Å; R23-H36 PolarHBondContact NH1-CD2 3.38Å; R23-H36 PolarHBondContact NH1-NE2 2.84Å; R23-H36 VanDerWaalsContact NH1-NE2 3.14Å; R23-D37 IonicContact NH2-OD2 3.06Å
24	R	71.5	Confident	80.6	Confident	181 Å²	181	105 Å²	105	68%	0.683	53%	0.528	S	S	*	.			trans	-102.9	-6.4	-168.8	-70	-167.3	178.4	-169.2	1.4	116.1	F34	R24-F34 HydrophobicContact CB-CD1 4.46Å; R24-F34 HydrophobicContact CB-CE1 3.92Å; R24-F34 HydrophobicContact CG-CE1 4.47Å; R24-F34 WeakPolarHBondContact O-CD1 3.48Å; R24-F34 WeakPolarHBondContact O-CE1 3.3Å; R24-F34 WeakPolarHBondContact O-CG 3.49Å; R24-F34 WeakPolarHBondContact O-CZ 3.34Å
25	R	79.4	Confident	80.7	Confident	171 Å²	171	101.6 Å²	101.6	65%	0.645	51%	0.505	S	S	*	.	S	Bend	trans	-150.7	148.9	179.8	-112.2	179.9	-89.7	-165.5	-3.1	111.8
26	C	82.6	Confident	80.8	Confident	14 Å²	14	99 Å²	99	10%	0.095	47%	0.471	C	S	.	.			trans	-60.9	145.5	169.3	-170.7	0	0	0	0	109.8	V28 C31 K33 H35 H40	C26-V28 PolarHBondContact SG-N 3.32Å; C26-C31 HydrophobicContact CB-CB 3.99Å; C26-K33 WeakPolarHBondContact CB-O 3.38Å; C26-K33 PolarHBondContact N-O 3.01Å; C26-K33 VanDerWaalsContact N-O 3.1Å; C26-H35 WeakPolarHBondContact CA-O 3.3Å; C26-H40 VanDerWaalsContact SG-CD2 3.57Å; C26-H40 PolarHBondContact SG-NE2 3.43Å
27	K	82	Confident	80.7	Confident	151 Å²	151	98.4 Å²	98.4	66%	0.657	47%	0.471	S	S	*	.			trans	-93.3	-3.4	178.2	-68.5	-172.3	174.2	-174.2	0	113.4
28	V	82.2	Confident	80.9	Confident	45 Å²	45	99.7 Å²	99.7	27%	0.273	48%	0.477	S	S	.	.	S	Bend	trans	-78.3	127.3	178.2	178.2	0	0	0	0	109.4	C26 G30 C31 D37 H40	C26-V28 PolarHBondContact SG-N 3.32Å; V28-G30 PolarHBondContact O-N 2.76Å; V28-C31 HydrophobicContact CB-CB 4.29Å; V28-C31 WeakPolarHBondContact O-CB 3.33Å; V28-C31 PolarHBondContact O-N 3.43Å; V28-D37 HydrophobicContact CG2-CB 3.9Å; V28-H40 WeakPolarHBondContact CB-NE2 3.5Å; V28-H40 WeakPolarHBondContact CG2-CD2 3.41Å
29	V	79.4	Confident	80.9	Confident	148 Å²	148	102 Å²	102	90%	0.897	48%	0.484	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	129.4	179.1	179.3	0	0	0	0	109.9
30	G	79	Confident	80.9	Confident	78 Å²	78	94.9 Å²	94.9	80%	0.804	46%	0.46	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.2	2.1	-175.7	0	0	0	0	0	114.8	V28	V28-G30 PolarHBondContact O-N 2.76Å
31	C	81	Confident	79.9	Confident	15 Å²	15	95.6 Å²	95.6	10%	0.101	47%	0.472	C	S	.	.			trans	-107.4	106.9	174.2	-169.8	0	0	0	0	112.6	C26 V28 K33 H35 H40	C26-C31 HydrophobicContact CB-CB 3.99Å; V28-C31 HydrophobicContact CB-CB 4.29Å; V28-C31 WeakPolarHBondContact O-CB 3.33Å; V28-C31 PolarHBondContact O-N 3.43Å; C31-K33 VanDerWaalsContact C-N 3.31Å; C31-H35 PolarHBondContact SG-NE2 3.45Å; C31-H40 WeakPolarHBondContact CB-NE2 3.47Å; C31-H40 VanDerWaalsContact SG-CE1 3.53Å; C31-H40 PolarHBondContact SG-NE2 2.77Å; C31-H40 VanDerWaalsContact SG-NE2 3.41Å
32	D	78.5	Confident	78.4	Confident	132 Å²	132	102.6 Å²	102.6	71%	0.706	50%	0.504	S	S	*	.			trans	-91.1	6.4	176	-58.1	-31.5	0	0	0	112.9
33	K	79.5	Confident	76.2	Confident	134 Å²	134	96.5 Å²	96.5	58%	0.583	50%	0.5	S	S	*	.	S	Bend	trans	-85.6	153.5	-175.9	-62.9	-176.9	-178.3	178.7	0	111.9	C26 C31 H35	C26-K33 WeakPolarHBondContact CB-O 3.38Å; C26-K33 PolarHBondContact N-O 3.01Å; C26-K33 VanDerWaalsContact N-O 3.1Å; C31-K33 VanDerWaalsContact C-N 3.31Å; K33-H35 VanDerWaalsContact CB-CD2 3.5Å; K33-H35 WeakPolarHBondContact CB-CD2 3.3Å; K33-H35 PolarHBondContact O-N 2.7Å
34	F	83.9	Confident	74.2	Confident	113 Å²	113	95.6 Å²	95.6	50%	0.496	52%	0.518	S	S	.	.	S	Bend	trans	-87.7	82.7	179.5	-74.4	-113	0	0	0	110.7	C10 R24	C10-F34 VanDerWaalsContact SG-C 3.6Å; R24-F34 HydrophobicContact CB-CD1 4.46Å; R24-F34 HydrophobicContact CB-CE1 3.92Å; R24-F34 HydrophobicContact CG-CE1 4.47Å; R24-F34 WeakPolarHBondContact O-CD1 3.48Å; R24-F34 WeakPolarHBondContact O-CE1 3.3Å; R24-F34 WeakPolarHBondContact O-CG 3.49Å; R24-F34 WeakPolarHBondContact O-CZ 3.34Å
35	H	84.6	Confident	72.3	Confident	28 Å²	28	92.1 Å²	92.1	13%	0.13	52%	0.521	C	S	.	.	S	Bend	trans	-156.6	168.8	175.6	68.6	102.9	0	0	0	113.2	R9 C26 C31 K33 L39 H40	R9-H35 CarbonylContact O-C 3.39Å; R9-H35 VanDerWaalsContact O-CA 3.24Å; R9-H35 WeakPolarHBondContact O-CA 3.2Å; C26-H35 WeakPolarHBondContact CA-O 3.3Å; C31-H35 PolarHBondContact SG-NE2 3.45Å; K33-H35 VanDerWaalsContact CB-CD2 3.5Å; K33-H35 WeakPolarHBondContact CB-CD2 3.3Å; K33-H35 PolarHBondContact O-N 2.7Å; H35-L39 HydrophobicContact CB-CD1 3.82Å; H35-H40 AromaticContact CE1-CD2 3.42Å; H35-H40 PolarHBondContact CE1-CD2 2.85Å; H35-H40 VanDerWaalsContact CE1-CD2 3.42Å; H35-H40 AromaticContact CE1-CE1 3.79Å; H35-H40 AromaticContact CE1-NE2 3.15Å; H35-H40 PolarHBondContact CE1-NE2 3Å; H35-H40 AromaticContact NE2-NE2 3.56Å
36	H	86	Confident	70	Confident	26 Å²	26	92.1 Å²	92.1	12%	0.12	53%	0.533	C	S	.	.			trans	-71.2	145	175.1	-159.3	-81.6	0	0	0	110.7	R9 L12 R23 L38 L39	R9-H36 PolarHBondContact O-N 3.09Å; L12-H36 HydrophobicContact CD1-CB 3.96Å; L12-H36 HydrophobicContact CD2-CB 4.12Å; L12-H36 HydrophobicContact CG-CB 3.75Å; R23-H36 PolarHBondContact NH1-CD2 3.38Å; R23-H36 PolarHBondContact NH1-NE2 2.84Å; R23-H36 VanDerWaalsContact NH1-NE2 3.14Å; H36-L38 VanDerWaalsContact C-N 3.31Å; H36-L38 WeakPolarHBondContact ND1-CB 3.36Å; H36-L38 WeakPolarHBondContact ND1-CG 3.24Å; H36-L38 PolarHBondContact ND1-N 3.03Å; H36-L38 PolarHBondContact O-N 3.47Å; H36-L39 HydrophobicContact CB-CD1 4.3Å; H36-L39 HydrophobicContact CB-CG 4.48Å; H36-L39 WeakPolarHBondContact O-CB 3.45Å; H36-L39 PolarHBondContact O-N 3.31Å
37	D	84	Confident	67.5	Low	45 Å²	45	100.2 Å²	100.2	24%	0.241	57%	0.572	C	S	.	*	G	3₁₀ helix	trans	-58.1	-39	179	42.3	29.5	0	0	0	112.6	R23 V28 L39 H40	R23-D37 IonicContact NH2-OD2 3.06Å; V28-D37 HydrophobicContact CG2-CB 3.9Å; D37-L39 PolarHBondContact O-N 3.03Å; D37-H40 WeakPolarHBondContact O-CB 3.47Å; D37-H40 PolarHBondContact O-CD2 3.15Å; D37-H40 PolarHBondContact O-N 3.44Å
38	L	82.8	Confident	65.1	Low	126 Å²	126	97.2 Å²	97.2	66%	0.66	58%	0.575	S	S	*	*	G	3₁₀ helix	trans	-54.6	-15.3	170.5	-67.5	173.8	0	0	0	115.8	L12 H36 H40	L12-L38 HydrophobicContact CD1-CB 4.33Å; L12-L38 HydrophobicContact CD1-CD1 3.94Å; H36-L38 VanDerWaalsContact C-N 3.31Å; H36-L38 WeakPolarHBondContact ND1-CB 3.36Å; H36-L38 WeakPolarHBondContact ND1-CG 3.24Å; H36-L38 PolarHBondContact ND1-N 3.03Å; H36-L38 PolarHBondContact O-N 3.47Å; L38-H40 VanDerWaalsContact C-N 3.29Å
39	L	79.2	Confident	62.8	Low	83 Å²	83	102.7 Å²	102.7	44%	0.435	60%	0.602	S	S	.	*	G	3₁₀ helix	trans	-85.7	-1.5	174.6	-65.1	166.9	0	0	0	112.6	R9 L12 H35 H36 D37	R9-L39 WeakPolarHBondContact O-CD1 3.48Å; L12-L39 HydrophobicContact CD2-CD1 4.24Å; L12-L39 HydrophobicContact CD2-CG 4.47Å; H35-L39 HydrophobicContact CB-CD1 3.82Å; H36-L39 HydrophobicContact CB-CD1 4.3Å; H36-L39 HydrophobicContact CB-CG 4.48Å; H36-L39 WeakPolarHBondContact O-CB 3.45Å; H36-L39 PolarHBondContact O-N 3.31Å; D37-L39 PolarHBondContact O-N 3.03Å
40	H	79.9	Confident	60.4	Low	53 Å²	53	107 Å²	107	25%	0.245	60%	0.602	C	S	.	*	S	Bend	trans	-77.4	130.5	164.5	-75.7	-84.9	0	0	0	110.5	C26 V28 C31 H35 D37 L38 H42	C26-H40 VanDerWaalsContact SG-CD2 3.57Å; C26-H40 PolarHBondContact SG-NE2 3.43Å; V28-H40 WeakPolarHBondContact CB-NE2 3.5Å; V28-H40 WeakPolarHBondContact CG2-CD2 3.41Å; C31-H40 WeakPolarHBondContact CB-NE2 3.47Å; C31-H40 VanDerWaalsContact SG-CE1 3.53Å; C31-H40 PolarHBondContact SG-NE2 2.77Å; C31-H40 VanDerWaalsContact SG-NE2 3.41Å; H35-H40 AromaticContact CE1-CD2 3.42Å; H35-H40 PolarHBondContact CE1-CD2 2.85Å; H35-H40 VanDerWaalsContact CE1-CD2 3.42Å; H35-H40 AromaticContact CE1-CE1 3.79Å; H35-H40 AromaticContact CE1-NE2 3.15Å; H35-H40 PolarHBondContact CE1-NE2 3Å; H35-H40 AromaticContact NE2-NE2 3.56Å; D37-H40 WeakPolarHBondContact O-CB 3.47Å; D37-H40 PolarHBondContact O-CD2 3.15Å; D37-H40 PolarHBondContact O-N 3.44Å; L38-H40 VanDerWaalsContact C-N 3.29Å; H40-H42 PolarHBondContact O-N 3.11Å
41	S	60.3	Low	57.9	Low	115 Å²	115	109 Å²	109	80%	0.804	60%	0.601	S	S	*	*			trans	-70.2	92.6	170.5	39.1	0	0	0	0	109.9	S43	S41-S43 PolarHBondContact O-N 3.35Å
42	H	52.9	Low	55.4	Low	155 Å²	155	119.6 Å²	119.6	72%	0.718	64%	0.639	S	S	*	*			trans	-74.8	108.9	170.3	-77.3	-66.9	0	0	0	110.3	H40 G44	H40-H42 PolarHBondContact O-N 3.11Å; H42-G44 PolarHBondContact O-N 3.4Å
43	S	35.8	Very low	52.9	Low	127 Å²	127	122.1 Å²	122.1	89%	0.888	64%	0.643	S	S	*	*			trans	-84.1	92.1	170	-47.7	0	0	0	0	109.1	S41	S41-S43 PolarHBondContact O-N 3.35Å
44	G	33.4	Very low	50.4	Low	67 Å²	67	123.1 Å²	123.1	69%	0.691	65%	0.654	S	S	*	*			trans	-173.4	107.8	176.3	0	0	0	0	0	114.3	H42	H42-G44 PolarHBondContact O-N 3.4Å
45	S	30.9	Very low	47.7	Very low	109 Å²	109	123.3 Å²	123.3	76%	0.762	67%	0.665	S	S	*	*			trans	60.4	101.3	157.6	-154.1	0	0	0	0	118.6
46	L	32.6	Very low	45.1	Very low	171 Å²	171	132 Å²	132	90%	0.895	70%	0.703	S	S	*	*				173.9	146	110.7	-93.2	150.9	0	0	0	111.2
47	M	29	Very low	42.3	Very low	183 Å²	183	136.4 Å²	136.4	90%	0.901	74%	0.736	S	S	*	*			trans	-64.6	156.9	-171.2	-68.1	179.7	159.5	0	0	114.3
48	A	32.5	Very low	39.7	Very low	88 Å²	88	138.3 Å²	138.3	73%	0.727	76%	0.758	S	S	*	*			trans	115.2	117.7	142.9	0	0	0	0	0	116.9
49	L	32.6	Very low	37.1	Very low	161 Å²	161	138.6 Å²	138.6	84%	0.843	77%	0.765	S	S	*	*			trans	84.7	82	148.9	-60	161.7	0	0	0	119.4
50	R	29.3	Very low	34.8	Very low	239 Å²	239	142.4 Å²	142.4	90%	0.902	78%	0.78	S	S	*	*			trans	53.5	144.8	132.2	-74.9	-171.7	176.2	-168.9	0.7	122.5
51	P	27.3	Very low	32.2	Very low	118 Å²	118	148.1 Å²	148.1	77%	0.766	81%	0.812	S	S	*	*			trans	-123.6	154.8	-147.9	34.5	-15.3	0	0	0	115.3
52	R	28.9	Very low	30.7	Very low	238 Å²	238	150.7 Å²	150.7	90%	0.898	81%	0.811	S	S	*	*			trans	-153.4	111.6	151.2	-130.2	176.1	-179.6	-171.1	-1	113.3
53	K	26.5	Very low	29.4	Very low	185 Å²	185	150.8 Å²	150.8	80%	0.804	82%	0.817	S	S	*	*			trans	32.7	126.9	143.5	-65.8	-176.9	173.5	-174.8	0	119.8
54	L	27.1	Very low	28.9	Very low	156 Å²	156	148.7 Å²	148.7	82%	0.817	81%	0.807	S	S	*	*				177.5	123.2	105.6	-100.3	136.2	0	0	0	112.4
55	T	25.5	Very low	28.6	Very low	117 Å²	117	151.6 Å²	151.6	72%	0.718	81%	0.805	S	S	*	*			trans	34.9	129.6	140.4	54.6	0	0	0	0	121.5
56	K	31.2	Very low	28.5	Very low	211 Å²	211	150.2 Å²	150.2	92%	0.917	79%	0.792	S	S	*	*			trans	-158.3	134.1	130.8	-108.8	170.1	-171.8	-176	0	111.9
57	S	26.1	Very low	28.1	Very low	117 Å²	117	149.6 Å²	149.6	82%	0.818	79%	0.785	S	S	*	*			trans	-76.5	152	164.6	60.7	0	0	0	0	110.3
58	A	30.7	Very low	28.3	Very low	85 Å²	85	143.4 Å²	143.4	70%	0.702	76%	0.757	S	S	*	*			trans	175.2	115	134.8	0	0	0	0	0	109.3
59	T	28	Very low	28.1	Very low	132 Å²	132	142.8 Å²	142.8	81%	0.81	76%	0.759	S	S	*	*			trans	14.9	112.3	136	46.4	0	0	0	0	117.9
60	E	29.9	Very low	28	Very low	163 Å²	163	140.9 Å²	140.9	76%	0.762	74%	0.744	S	S	*	*			trans	-147	113.5	140.9	-103.5	172.1	-166.2	0	0	107.4	H62	E60-H62 PolarHBondContact O-N 3.44Å; E60-H62 VanDerWaalsContact O-N 3.15Å
61	L	25.8	Very low	28	Very low	173 Å²	173	133.5 Å²	133.5	91%	0.906	73%	0.729	S	S	*	*			trans	-64.3	101.6	165.2	-91.2	92.8	0	0	0	107.5
62	H	28.4	Very low	28.3	Very low	170 Å²	170	134.5 Å²	134.5	79%	0.787	73%	0.728	S	S	*	*			trans	-139	143.9	157.6	-92.6	23.9	0	0	0	107.5	E60 A64	E60-H62 PolarHBondContact O-N 3.44Å; E60-H62 VanDerWaalsContact O-N 3.15Å; H62-A64 PolarHBondContact O-N 2.94Å
63	D	26.3	Very low	28.8	Very low	157 Å²	157	126.3 Å²	126.3	84%	0.84	71%	0.705	S	S	*	*			trans	-38.3	106.5	-172.9	-65.2	-50.7	0	0	0	113.3	I65	D63-I65 VanDerWaalsContact C-N 3.29Å; D63-I65 PolarHBondContact O-N 3.1Å
64	A	25.4	Very low	29.5	Very low	83 Å²	83	127.6 Å²	127.6	69%	0.686	71%	0.705	S	S	*	*			trans	-77.1	84.6	-175.7	0	0	0	0	0	110.3	H62 V66	H62-A64 PolarHBondContact O-N 2.94Å; A64-V66 PolarHBondContact O-N 3.23Å
65	I	26.4	Very low	30.6	Very low	127 Å²	127	122 Å²	122	65%	0.651	68%	0.679	S	S	*	*			trans	-48.6	127.2	154.2	-65.9	169.4	0	0	0	107.6	D63 Q67	D63-I65 VanDerWaalsContact C-N 3.29Å; D63-I65 PolarHBondContact O-N 3.1Å; I65-Q67 VanDerWaalsContact C-N 3.28Å; I65-Q67 HydrophobicContact CG2-CG 4.34Å; I65-Q67 PolarHBondContact O-N 3.09Å
66	V	28.6	Very low	32.1	Very low	81 Å²	81	124 Å²	124	49%	0.491	68%	0.677	S	S	.	*			trans	-58.9	91.2	167.9	176.9	0	0	0	0	107.9	A64 V68	A64-V66 PolarHBondContact O-N 3.23Å; V66-V68 HydrophobicContact CG1-CG2 3.83Å
67	Q	25.4	Very low	33.8	Very low	157 Å²	157	117.4 Å²	117.4	73%	0.734	65%	0.65	S	S	*	*			trans	-96.4	85.6	161	-82.7	-165.3	-27.8	0	0	107.8	I65 F70	I65-Q67 VanDerWaalsContact C-N 3.28Å; I65-Q67 HydrophobicContact CG2-CG 4.34Å; I65-Q67 PolarHBondContact O-N 3.09Å; Q67-F70 HydrophobicContact CG-CE2 4.48Å
68	V	33.5	Very low	36.1	Very low	53 Å²	53	113.3 Å²	113.3	32%	0.321	62%	0.617	S	S	.	*			trans	-66.4	133.1	153.7	-178.4	0	0	0	0	105.7	V66 F70 A253	V66-V68 HydrophobicContact CG1-CG2 3.83Å; V68-F70 PolarHBondContact O-N 3.36Å; V68-A253 HydrophobicContact CG1-CB 4.23Å
69	G	27.2	Very low	38.3	Very low	75 Å²	75	112.8 Å²	112.8	77%	0.773	60%	0.604	S	S	*	*			trans	-51.1	113.4	-177.5	0	0	0	0	0	111.1	S71	G69-S71 PolarHBondContact O-N 3.01Å; G69-S71 VanDerWaalsContact O-N 3.16Å
70	F	29.6	Very low	41.1	Very low	121 Å²	121	107 Å²	107	53%	0.531	57%	0.568	S	S	.	*			trans	-66	110.7	168.8	-69.4	-87.7	0	0	0	107.7	Q67 V68 E250	Q67-F70 HydrophobicContact CG-CE2 4.48Å; V68-F70 PolarHBondContact O-N 3.36Å; F70-E250 HydrophobicContact CE1-CB 4.05Å; F70-E250 HydrophobicContact CE1-CG 3.78Å; F70-E250 HydrophobicContact CZ-CG 4.45Å
71	S	29.6	Very low	43.9	Very low	84 Å²	84	102.3 Å²	102.3	59%	0.587	55%	0.548	S	S	*	.			trans	-88.9	121.5	146.3	-176.3	0	0	0	0	105.6	G69 T73	G69-S71 PolarHBondContact O-N 3.01Å; G69-S71 VanDerWaalsContact O-N 3.16Å; S71-T73 PolarHBondContact O-N 3.24Å
72	D	34.6	Very low	47	Very low	139 Å²	139	96.1 Å²	96.1	74%	0.743	51%	0.514	S	S	*	.			trans	-66.4	75.4	160.9	-176.6	20.9	0	0	0	107.3	R74	D72-R74 PolarHBondContact O-N 3.15Å
73	T	38.8	Very low	50.1	Low	67 Å²	67	88.3 Å²	88.3	41%	0.411	48%	0.479	S	S	.	.			trans	-81.1	108.6	164	43.2	0	0	0	0	105.9	S71 S75	S71-T73 PolarHBondContact O-N 3.24Å; T73-S75 PolarHBondContact O-N 3.39Å
74	R	42	Very low	53.3	Low	211 Å²	211	80.9 Å²	80.9	80%	0.796	44%	0.439	S	S	*	.			trans	-63.9	56.6	161.8	-67.3	-176.2	179.1	-172.1	-1.1	110.7	D72	D72-R74 PolarHBondContact O-N 3.15Å
75	S	49.6	Very low	56.6	Low	39 Å²	39	79.6 Å²	79.6	27%	0.273	42%	0.419	S	S	.	.			trans	-70.6	131.3	171.8	176.9	0	0	0	0	107.7	T73 E77 H247	T73-S75 PolarHBondContact O-N 3.39Å; S75-E77 PolarHBondContact O-N 3.2Å; S75-E77 VanDerWaalsContact OG-CB 3.3Å; S75-E77 WeakPolarHBondContact OG-CB 3.34Å; S75-E77 PolarHBondContact OG-N 3.38Å; S75-E77 VanDerWaalsContact OG-N 3.09Å; S75-E77 PolarHBondContact OG-O 3.1Å; S75-H247 PolarHBondContact O-ND1 3.11Å
76	K	56.7	Low	59.7	Low	158 Å²	158	73.8 Å²	73.8	69%	0.687	39%	0.39	S	S	*	.	S	Bend	trans	-80.4	16	168.4	-65.7	-176.5	177.9	-179.1	0	111.5	T244	K76-T244 PolarHBondContact O-N 3.28Å
77	E	66.5	Low	62.8	Low	73 Å²	73	72 Å²	72	34%	0.341	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	135.8	-175	-49.4	-174.7	153.7	0	0	110	S75 K241 S242	S75-E77 PolarHBondContact O-N 3.2Å; S75-E77 VanDerWaalsContact OG-CB 3.3Å; S75-E77 WeakPolarHBondContact OG-CB 3.34Å; S75-E77 PolarHBondContact OG-N 3.38Å; S75-E77 VanDerWaalsContact OG-N 3.09Å; S75-E77 PolarHBondContact OG-O 3.1Å; E77-K241 IonicContact OE1-NZ 2.73Å; E77-S242 WeakPolarHBondContact CA-O 2.78Å
78	R	74.8	Confident	66.1	Low	32 Å²	32	64.5 Å²	64.5	12%	0.121	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	135.4	170.5	-177.1	173.2	-169.6	165.9	5.2	109.5	F80 E174 S175 K241 S242 T244 Q248	R78-F80 HydrophobicContact CG-CZ 4.48Å; R78-E174 IonicContact NH2-OE2 3.88Å; R78-S175 PolarHBondContact NH2-O 3.42Å; R78-K241 CarbonylContact O-C 3.51Å; R78-K241 WeakPolarHBondContact O-CA 3.3Å; R78-S242 PolarHBondContact N-O 2.89Å; R78-S242 PolarHBondContact O-N 2.76Å; R78-T244 HydrophobicContact CB-CG2 4.43Å; R78-T244 WeakPolarHBondContact CB-OG1 3.28Å; R78-Q248 VanDerWaalsContact CA-OE1 3.31Å; R78-Q248 HydrophobicContact CG-CB 4.46Å
79	V	78.4	Confident	68.9	Low	73 Å²	73	65.5 Å²	65.5	44%	0.442	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	123	175.7	-178.2	0	0	0	0	109.7	K241	V79-K241 HydrophobicContact CG2-CB 4.4Å
80	F	86	Confident	72	Confident	12 Å²	12	62.2 Å²	62.2	5%	0.053	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	120.4	173.3	-66.8	-76.7	0	0	0	110	R78 P177 W183 F195 A227 V238 G239 G240	R78-F80 HydrophobicContact CG-CZ 4.48Å; F80-P177 HydrophobicContact CE1-CG 4.09Å; F80-P177 HydrophobicContact CZ-CG 4.03Å; F80-W183 AromaticContact CE2-CH2 3.59Å; F80-W183 HydrophobicContact CE2-CH2 3.59Å; F80-W183 HydrophobicContact CE2-CZ2 4.29Å; F80-W183 HydrophobicContact CE2-CZ3 4.42Å; F80-W183 AromaticContact CZ-CH2 3.68Å; F80-W183 HydrophobicContact CZ-CH2 3.68Å; F80-W183 HydrophobicContact CZ-CZ3 4.39Å; F80-F195 HydrophobicContact CD1-CE1 4.03Å; F80-F195 HydrophobicContact CD1-CZ 4.49Å; F80-F195 AromaticContact CE1-CE1 3.94Å; F80-F195 HydrophobicContact CE1-CE1 3.94Å; F80-A227 HydrophobicContact CD2-CB 3.86Å; F80-A227 HydrophobicContact CE2-CB 4.04Å; F80-V238 HydrophobicContact CB-CG1 4.16Å; F80-V238 HydrophobicContact CD2-CG1 4.31Å; F80-V238 HydrophobicContact CG-CG1 4.09Å; F80-G239 WeakPolarHBondContact O-CA 2.82Å; F80-G240 PolarHBondContact N-O 3.23Å; F80-G240 PolarHBondContact O-N 3.06Å
81	L	87.9	Confident	74.5	Confident	64 Å²	64	62 Å²	62	34%	0.335	33%	0.33	S	S	.	.			trans	-72.1	147.3	166.2	-64	-179.7	0	0	0	109.4	T83 L101 L173	L81-T83 HydrophobicContact CB-CG2 4.39Å; L81-T83 PolarHBondContact O-N 3.42Å; L81-L101 HydrophobicContact CB-CD1 3.94Å; L81-L101 HydrophobicContact CD1-CD1 4.42Å; L81-L173 HydrophobicContact CD1-CD2 3.97Å
82	Q	91.8	Very high	77.1	Confident	43 Å²	43	61.9 Å²	61.9	20%	0.201	33%	0.329	C	S	.	.			trans	-74.3	92.1	179.9	-73.3	-168	19.7	0	0	110.9	L102 Y211 I237	Q82-L102 HydrophobicContact CB-CB 4.08Å; Q82-L102 HydrophobicContact CB-CD1 4.48Å; Q82-L102 PolarHBondContact O-N 3.16Å; Q82-Y211 PolarHBondContact NE2-OH 2.85Å; Q82-Y211 VanDerWaalsContact NE2-OH 3.09Å; Q82-Y211 PolarHBondContact OE1-OH 3.28Å; Q82-I237 HydrophobicContact CB-CG2 3.51Å; Q82-I237 HydrophobicContact CG-CG2 3.8Å
83	T	93.3	Very high	79.6	Confident	6 Å²	6	57 Å²	57	4%	0.037	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	154.3	-179	57.6	0	0	0	0	112	L81 V100 L101 L173 D193	L81-T83 HydrophobicContact CB-CG2 4.39Å; L81-T83 PolarHBondContact O-N 3.42Å; T83-V100 CarbonylContact C-O 3.58Å; T83-V100 VanDerWaalsContact CA-O 3.29Å; T83-V100 WeakPolarHBondContact CA-O 3.3Å; T83-L101 HydrophobicContact CG2-CD1 3.81Å; T83-L173 HydrophobicContact CG2-CD1 3.59Å; T83-D193 WeakPolarHBondContact CB-OD2 3.09Å; T83-D193 PolarHBondContact OG1-OD2 3.01Å
84	A	93.9	Very high	82	Confident	0 Å²	0	58.6 Å²	58.6	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	161.3	172.4	0	0	0	0	0	111.8	V100 G192 L234 I237	A84-V100 HydrophobicContact CB-CB 4.36Å; A84-V100 PolarHBondContact N-O 3.44Å; A84-V100 PolarHBondContact O-N 3.45Å; A84-G192 CarbonylContact C-O 3.49Å; A84-G192 WeakPolarHBondContact CA-O 3.43Å; A84-L234 HydrophobicContact CB-CB 3.81Å; A84-L234 HydrophobicContact CB-CD1 3.77Å; A84-L234 HydrophobicContact CB-CG 4.42Å; A84-I237 HydrophobicContact CB-CD1 3.65Å
85	Q	93.7	Very high	84.4	Confident	57 Å²	57	57 Å²	57	27%	0.266	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	128.2	164.6	-65.6	-175.5	-38.4	0	0	108.8	V98 G192 D193 S194	Q85-V98 WeakPolarHBondContact CA-O 3.16Å; Q85-G192 PolarHBondContact N-O 3.03Å; Q85-D193 WeakPolarHBondContact CG-OD1 3.45Å; Q85-S194 PolarHBondContact OE1-OG 2.93Å
86	G	92.1	Very high	86.5	Confident	5 Å²	5	56.7 Å²	56.7	5%	0.052	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	170.5	-179.2	0	0	0	0	0	112.9	K97 V98 H151	G86-K97 WeakPolarHBondContact O-CA 3.41Å; G86-V98 PolarHBondContact N-O 3.31Å; G86-V98 PolarHBondContact O-N 2.95Å; G86-H151 CarbonylContact C-O 3.48Å; G86-H151 WeakPolarHBondContact CA-O 3.16Å
87	T	94.4	Very high	88.3	Confident	42 Å²	42	57.8 Å²	57.8	26%	0.258	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	115	165.8	-57.5	0	0	0	0	108.3	R95 S96 H151	T87-R95 HydrophobicContact CG2-CB 3.91Å; T87-R95 HydrophobicContact CG2-CG 4.28Å; T87-S96 CarbonylContact C-O 3.58Å; T87-S96 WeakPolarHBondContact CA-O 3.42Å; T87-H151 PolarHBondContact N-O 2.82Å; T87-H151 PolarHBondContact O-N 2.88Å
88	L	93.7	Very high	89.6	Confident	0 Å²	0	54.6 Å²	54.6	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	133.8	170.9	-171.7	167.7	0	0	0	108.4	R95 S96 V98 I111 I115 L119 F148 T149 L150 V204	L88-R95 CarbonylContact O-C 3.53Å; L88-R95 WeakPolarHBondContact O-CA 3.37Å; L88-S96 PolarHBondContact N-O 3.15Å; L88-S96 PolarHBondContact O-N 3.42Å; L88-V98 HydrophobicContact CB-CG1 4.04Å; L88-V98 HydrophobicContact CB-CG2 4.01Å; L88-V98 HydrophobicContact CD1-CG1 4.44Å; L88-I111 HydrophobicContact CD1-CD1 3.43Å; L88-I111 VanDerWaalsContact CD1-CD1 3.43Å; L88-I115 HydrophobicContact CD1-CG2 4.36Å; L88-L119 HydrophobicContact CD1-CD1 4.25Å; L88-L119 HydrophobicContact CD2-CD1 3.25Å; L88-L119 HydrophobicContact CG-CD1 4.19Å; L88-F148 HydrophobicContact CD1-CB 4.24Å; L88-F148 HydrophobicContact CD1-CD1 4.08Å; L88-F148 HydrophobicContact CD1-CD2 3.57Å; L88-F148 HydrophobicContact CD1-CE1 4.32Å; L88-F148 HydrophobicContact CD1-CE2 3.83Å; L88-F148 HydrophobicContact CD1-CG 3.7Å; L88-F148 HydrophobicContact CD1-CZ 4.2Å; L88-F148 HydrophobicContact CD2-CB 3.57Å; L88-F148 HydrophobicContact CD2-CD2 4.19Å; L88-F148 HydrophobicContact CD2-CG 3.98Å; L88-F148 HydrophobicContact CG-CB 3.89Å; L88-F148 HydrophobicContact CG-CD2 3.49Å; L88-F148 VanDerWaalsContact CG-CD2 3.49Å; L88-F148 HydrophobicContact CG-CE2 4.14Å; L88-F148 HydrophobicContact CG-CG 3.75Å; L88-T149 CarbonylContact C-O 3.36Å; L88-T149 WeakPolarHBondContact CA-O 3.48Å; L88-L150 HydrophobicContact CB-CD1 4.31Å; L88-V204 HydrophobicContact CD1-CG2 4.22Å
89	K	92.9	Very high	90.6	Very high	75 Å²	75	53.8 Å²	53.8	33%	0.326	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	129.3	176	-173.3	-177.3	174.9	-169.6	0	111	R94 R95 T149	K89-R94 CarbonylContact C-O 3.56Å; K89-R94 WeakPolarHBondContact CA-O 3.23Å; K89-R95 HydrophobicContact CB-CG 4.42Å; K89-R95 HydrophobicContact CG-CG 4.22Å; K89-T149 PolarHBondContact N-O 3.32Å; K89-T149 PolarHBondContact O-N 3.29Å
90	S	91.1	Very high	91.4	Very high	6 Å²	6	50.3 Å²	50.3	4%	0.042	27%	0.27	C	S	.	.			trans	-79.3	164.5	172.5	71.2	0	0	0	0	111.8	S92 G93 R94 L121	S90-S92 PolarHBondContact O-N 3.29Å; S90-S92 PolarHBondContact OG-N 3.2Å; S90-S92 PolarHBondContact OG-OG 3.11Å; S90-G93 PolarHBondContact O-N 2.97Å; S90-G93 PolarHBondContact OG-N 2.76Å; S90-R94 PolarHBondContact N-O 3.37Å; S90-R94 WeakPolarHBondContact OG-CB 3.48Å; S90-R94 PolarHBondContact OG-N 2.69Å; S90-R94 PolarHBondContact OG-O 3.02Å; S90-L121 VanDerWaalsContact CB-CD2 3.47Å
91	A	83.9	Confident	91.8	Very high	115 Å²	115	49.9 Å²	49.9	95%	0.95	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-33.5	169.9	0	0	0	0	0	112.6	G93	A91-G93 PolarHBondContact O-N 3.13Å
92	S	83.8	Confident	92	Very high	82 Å²	82	47.2 Å²	47.2	57%	0.573	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.4	3.7	175.6	56.4	0	0	0	0	114.5	S90 R94	S90-S92 PolarHBondContact O-N 3.29Å; S90-S92 PolarHBondContact OG-N 3.2Å; S90-S92 PolarHBondContact OG-OG 3.11Å; S92-R94 VanDerWaalsContact C-N 3.33Å; S92-R94 PolarHBondContact O-N 2.88Å
93	G	85.9	Confident	91.8	Very high	38 Å²	38	46.3 Å²	46.3	39%	0.392	25%	0.251	S	S	.	.	S	Bend	trans	83.7	-1.5	176.6	0	0	0	0	0	115.6	S90 A91	S90-G93 PolarHBondContact O-N 2.97Å; S90-G93 PolarHBondContact OG-N 2.76Å; A91-G93 PolarHBondContact O-N 3.13Å
94	R	90.8	Very high	91.5	Very high	100 Å²	100	50 Å²	50	38%	0.377	27%	0.274	S	S	.	.			trans	-66.8	145.7	175.1	-60.4	-178.2	178.4	-165.2	-1.8	110.2	K89 S90 S92 L119 R120	K89-R94 CarbonylContact C-O 3.56Å; K89-R94 WeakPolarHBondContact CA-O 3.23Å; S90-R94 PolarHBondContact N-O 3.37Å; S90-R94 WeakPolarHBondContact OG-CB 3.48Å; S90-R94 PolarHBondContact OG-N 2.69Å; S90-R94 PolarHBondContact OG-O 3.02Å; S92-R94 VanDerWaalsContact C-N 3.33Å; S92-R94 PolarHBondContact O-N 2.88Å; R94-L119 HydrophobicContact CB-CD2 3.72Å; R94-R120 VanDerWaalsContact NH1-CD 3.26Å
95	R	92.7	Very high	90.8	Very high	176 Å²	176	51.3 Å²	51.3	66%	0.664	29%	0.287	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-127.5	143.8	-176.2	-60.9	-177.1	-171.4	-174.3	1.9	111.3	T87 L88 K89	T87-R95 HydrophobicContact CG2-CB 3.91Å; T87-R95 HydrophobicContact CG2-CG 4.28Å; L88-R95 CarbonylContact O-C 3.53Å; L88-R95 WeakPolarHBondContact O-CA 3.37Å; K89-R95 HydrophobicContact CB-CG 4.42Å; K89-R95 HydrophobicContact CG-CG 4.22Å
96	S	93.4	Very high	90.2	Very high	34 Å²	34	48.9 Å²	48.9	24%	0.238	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	141.5	169.6	-168.9	0	0	0	0	110.2	T87 L88	T87-S96 CarbonylContact C-O 3.58Å; T87-S96 WeakPolarHBondContact CA-O 3.42Å; L88-S96 PolarHBondContact N-O 3.15Å; L88-S96 PolarHBondContact O-N 3.42Å
97	K	93.5	Very high	89.5	Confident	181 Å²	181	53.7 Å²	53.7	79%	0.787	30%	0.297	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.9	132.9	169.5	-69.3	-176.2	179.5	178.8	0	108.3	G86	G86-K97 WeakPolarHBondContact O-CA 3.41Å
98	V	94.7	Very high	89.2	Confident	5 Å²	5	54.4 Å²	54.4	3%	0.03	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	145.1	-173.4	-68.7	0	0	0	0	111.3	Q85 G86 L88 V100 I115 L150 D203 V204	Q85-V98 WeakPolarHBondContact CA-O 3.16Å; G86-V98 PolarHBondContact N-O 3.31Å; G86-V98 PolarHBondContact O-N 2.95Å; L88-V98 HydrophobicContact CB-CG1 4.04Å; L88-V98 HydrophobicContact CB-CG2 4.01Å; L88-V98 HydrophobicContact CD1-CG1 4.44Å; V98-V100 HydrophobicContact CG2-CG2 4.02Å; V98-I115 HydrophobicContact CG1-CG2 4.18Å; V98-L150 HydrophobicContact CG2-CD1 3.62Å; V98-D203 WeakPolarHBondContact CA-OD2 3.48Å; V98-D203 HydrophobicContact CB-CB 3.81Å; V98-D203 HydrophobicContact CG1-CB 3.9Å; V98-V204 HydrophobicContact CB-CG2 4.35Å; V98-V204 HydrophobicContact CG1-CG2 4.46Å; V98-V204 HydrophobicContact CG2-CG2 4.38Å
99	T	94.8	Very high	89.1	Confident	16 Å²	16	54.4 Å²	54.4	10%	0.098	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	123.2	166	-51.1	0	0	0	0	108.5	A200 T201 D203 V204	T99-A200 HydrophobicContact CG2-CB 4.34Å; T99-T201 WeakPolarHBondContact CB-O 3.35Å; T99-D203 PolarHBondContact N-OD2 3.08Å; T99-D203 PolarHBondContact O-N 2.9Å; T99-V204 PolarHBondContact O-N 2.84Å
100	V	95.1	Very high	89.1	Confident	0 Å²	0	51.3 Å²	51.3	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	132.4	-174.7	-173.4	0	0	0	0	108.4	T83 A84 V98 L150 V204 I206 L234	T83-V100 CarbonylContact C-O 3.58Å; T83-V100 VanDerWaalsContact CA-O 3.29Å; T83-V100 WeakPolarHBondContact CA-O 3.3Å; A84-V100 HydrophobicContact CB-CB 4.36Å; A84-V100 PolarHBondContact N-O 3.44Å; A84-V100 PolarHBondContact O-N 3.45Å; V98-V100 HydrophobicContact CG2-CG2 4.02Å; V100-L150 HydrophobicContact CG1-CD2 4.05Å; V100-L150 HydrophobicContact CG2-CD1 4.04Å; V100-L150 HydrophobicContact CG2-CD2 3.81Å; V100-L150 HydrophobicContact CG2-CG 4.45Å; V100-V204 CarbonylContact C-O 3.59Å; V100-V204 WeakPolarHBondContact CA-O 3.07Å; V100-V204 HydrophobicContact CG2-CB 4.43Å; V100-I206 HydrophobicContact CG1-CB 4.49Å; V100-I206 HydrophobicContact CG1-CG1 3.67Å; V100-L234 HydrophobicContact CB-CD1 4.3Å; V100-L234 HydrophobicContact CG1-CD1 4.09Å; V100-L234 HydrophobicContact CG2-CD1 4.4Å
101	L	93.9	Very high	89.3	Confident	2 Å²	2	51 Å²	51	1%	0.01	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	130.2	169.6	178.9	63	0	0	0	108.7	L81 T83 V202 V204 L205 I206 L254	L81-L101 HydrophobicContact CB-CD1 3.94Å; L81-L101 HydrophobicContact CD1-CD1 4.42Å; T83-L101 HydrophobicContact CG2-CD1 3.81Å; L101-V202 HydrophobicContact CB-CB 4.45Å; L101-V202 HydrophobicContact CB-CG1 3.61Å; L101-V202 HydrophobicContact CB-CG2 3.92Å; L101-V202 HydrophobicContact CD2-CG2 4.15Å; L101-V204 PolarHBondContact N-O 2.9Å; L101-L205 HydrophobicContact CB-CD1 3.85Å; L101-L205 HydrophobicContact CD2-CD1 3.7Å; L101-L205 HydrophobicContact CG-CD1 3.73Å; L101-L205 CarbonylContact O-C 3.54Å; L101-L205 WeakPolarHBondContact O-CA 3.46Å; L101-I206 PolarHBondContact O-N 2.81Å; L101-L254 HydrophobicContact CD2-CD1 3.27Å; L101-L254 HydrophobicContact CG-CD1 4.43Å
102	L	93	Very high	89.8	Confident	9 Å²	9	47.6 Å²	47.6	5%	0.047	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	112.1	177.2	-62.1	119.5	0	0	0	108.7	Q82 I206 Y211 F214 M215 I237	Q82-L102 HydrophobicContact CB-CB 4.08Å; Q82-L102 HydrophobicContact CB-CD1 4.48Å; Q82-L102 PolarHBondContact O-N 3.16Å; L102-I206 WeakPolarHBondContact CA-O 3.25Å; L102-I206 HydrophobicContact CD2-CB 4.13Å; L102-I206 HydrophobicContact CD2-CG2 4.06Å; L102-I206 HydrophobicContact CG-CB 4.41Å; L102-Y211 HydrophobicContact CB-CD2 3.93Å; L102-Y211 HydrophobicContact CB-CE2 3.87Å; L102-Y211 HydrophobicContact CD2-CD2 4.35Å; L102-F214 HydrophobicContact CD2-CB 3.95Å; L102-F214 HydrophobicContact CD2-CG 4.31Å; L102-M215 HydrophobicContact CB-CE 4.39Å; L102-M215 HydrophobicContact CD1-CE 4.34Å; L102-M215 HydrophobicContact CD2-CE 3.68Å; L102-M215 HydrophobicContact CG-CE 4.35Å; L102-I237 HydrophobicContact CD1-CD1 4.07Å; L102-I237 HydrophobicContact CD1-CG1 4.23Å; L102-I237 HydrophobicContact CD1-CG2 4.2Å
103	D	88.2	Confident	90.3	Very high	24 Å²	24	47.7 Å²	47.7	13%	0.128	23%	0.232	C	C	.	.			trans	-132.1	107	-173.9	175.4	39.1	0	0	0	112	G105 S106 L205 I206 S207	D103-G105 PolarHBondContact O-N 3.02Å; D103-G105 PolarHBondContact OD1-N 2.94Å; D103-S106 PolarHBondContact OD2-N 2.8Å; D103-S106 PolarHBondContact OD2-OG 2.82Å; D103-L205 HydrophobicContact CB-CD1 3.68Å; D103-L205 HydrophobicContact CB-CD2 4.45Å; D103-L205 HydrophobicContact CB-CG 4.23Å; D103-I206 PolarHBondContact N-O 2.84Å; D103-S207 VanDerWaalsContact O-CA 3.28Å; D103-S207 WeakPolarHBondContact O-CA 3.42Å; D103-S207 PolarHBondContact O-OG 3.35Å
104	V	86.9	Confident	90.7	Very high	84 Å²	84	49.6 Å²	49.6	51%	0.509	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-6.3	174.1	-64.9	0	0	0	0	113.5	S106 Y211	V104-S106 VanDerWaalsContact C-N 3.32Å; V104-Y211 HydrophobicContact CG1-CD1 3.46Å; V104-Y211 VanDerWaalsContact CG1-CD1 3.46Å; V104-Y211 HydrophobicContact CG1-CD2 3.45Å; V104-Y211 VanDerWaalsContact CG1-CD2 3.45Å; V104-Y211 HydrophobicContact CG1-CE1 3.62Å; V104-Y211 HydrophobicContact CG1-CE2 3.6Å; V104-Y211 HydrophobicContact CG1-CG 3.38Å
105	G	79.3	Confident	90.8	Very high	27 Å²	27	46 Å²	46	28%	0.278	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76	-17.7	178.4	0	0	0	0	0	114.1	D103 Y255	D103-G105 PolarHBondContact O-N 3.02Å; D103-G105 PolarHBondContact OD1-N 2.94Å; G105-Y255 WeakPolarHBondContact O-CD2 3.29Å
106	S	80.8	Confident	90.9	Very high	5 Å²	5	37.7 Å²	37.7	4%	0.035	19%	0.191	C	C	.	.	B	Isolated β-bridge	trans	-100.5	159.6	177.8	-58.2	0	0	0	0	110.8	D103 V104 S207 A208 A256	D103-S106 PolarHBondContact OD2-N 2.8Å; D103-S106 PolarHBondContact OD2-OG 2.82Å; V104-S106 VanDerWaalsContact C-N 3.32Å; S106-S207 VanDerWaalsContact CA-OG 3.27Å; S106-S207 WeakPolarHBondContact CA-OG 3.49Å; S106-S207 WeakPolarHBondContact CB-OG 3.1Å; S106-S207 PolarHBondContact O-OG 3.29Å; S106-A208 WeakPolarHBondContact O-CB 3.29Å; S106-A208 PolarHBondContact O-N 3.36Å; S106-A256 WeakPolarHBondContact CA-O 3.24Å; S106-A256 PolarHBondContact OG-N 2.9Å
107	Q	77.6	Confident	90.9	Very high	106 Å²	106	41.8 Å²	41.8	50%	0.495	21%	0.206	S	C	.	.	S	Bend	trans	-97.2	-20.5	178.8	-70.2	-178.9	-51.6	0	0	114.6	S207 A256 T257 I258	Q107-S207 PolarHBondContact N-OG 3.4Å; Q107-A256 PolarHBondContact N-O 3.38Å; Q107-A256 VanDerWaalsContact N-O 3.09Å; Q107-T257 HydrophobicContact CG-CG2 4.38Å; Q107-I258 VanDerWaalsContact OE1-N 3.1Å
108	R	86.5	Confident	90.8	Very high	58 Å²	58	35.9 Å²	35.9	22%	0.219	20%	0.196	C	C	.	.	S	Bend	trans	-133.7	143.5	-176.7	-77.4	-76.7	-68.1	-92.2	5.3	109.7	F110 E126 L164 S207 D209 I258	R108-F110 WeakPolarHBondContact O-CD2 3.47Å; R108-F110 WeakPolarHBondContact O-CE2 3.38Å; R108-E126 IonicContact CZ-OE2 3.62Å; R108-E126 IonicContact NH1-OE2 2.64Å; R108-E126 PolarHBondContact NH1-OE2 2.98Å; R108-E126 IonicContact NH2-OE1 2.72Å; R108-E126 PolarHBondContact NH2-OE1 2.84Å; R108-E126 IonicContact NH2-OE2 3.68Å; R108-E126 PolarHBondContact NH2-OE2 3.03Å; R108-L164 HydrophobicContact CB-CD1 4.27Å; R108-S207 WeakPolarHBondContact O-CB 3.45Å; R108-S207 PolarHBondContact O-OG 2.65Å; R108-D209 WeakPolarHBondContact CA-OD2 3.28Å; R108-I258 HydrophobicContact CB-CD1 3.73Å; R108-I258 HydrophobicContact CB-CG1 4.46Å; R108-I258 HydrophobicContact CG-CD1 3.81Å; R108-I258 HydrophobicContact CG-CG1 4.39Å
109	S	92.6	Very high	90.7	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	20%	0.197	C	C	.	.			trans	-74.4	147.8	175.3	-70	0	0	0	0	111.5	A163 L164 L205 S207 D209 Y210	S109-A163 VanDerWaalsContact O-CA 3.29Å; S109-A163 WeakPolarHBondContact O-CA 3.24Å; S109-A163 WeakPolarHBondContact O-CB 3.39Å; S109-L164 PolarHBondContact O-N 2.59Å; S109-L205 CarbonylContact C-O 3.23Å; S109-L205 WeakPolarHBondContact CA-O 3.42Å; S109-L205 VanDerWaalsContact CB-O 3.24Å; S109-L205 WeakPolarHBondContact CB-O 3.3Å; S109-L205 PolarHBondContact OG-O 3.05Å; S109-S207 PolarHBondContact OG-N 3.31Å; S109-D209 PolarHBondContact N-OD1 2.83Å; S109-D209 PolarHBondContact N-OD2 3.39Å; S109-D209 PolarHBondContact OG-OD1 2.95Å; S109-D209 PolarHBondContact OG-OD2 2.86Å; S109-Y210 WeakPolarHBondContact OG-CD2 3.12Å
110	F	93.3	Very high	90.5	Very high	9 Å²	9	43.7 Å²	43.7	4%	0.039	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	151.5	-178.2	-62.9	-89.9	0	0	0	111.8	R108 I130 L164 I166 I169 V204 L205 A256 I258	R108-F110 WeakPolarHBondContact O-CD2 3.47Å; R108-F110 WeakPolarHBondContact O-CE2 3.38Å; F110-I130 HydrophobicContact CE1-CD1 3.89Å; F110-I130 HydrophobicContact CE1-CG1 4.48Å; F110-I130 HydrophobicContact CZ-CD1 4.41Å; F110-L164 CarbonylContact C-O 3.55Å; F110-L164 VanDerWaalsContact CA-O 3.3Å; F110-L164 WeakPolarHBondContact CA-O 3.4Å; F110-L164 HydrophobicContact CD1-CB 3.82Å; F110-L164 HydrophobicContact CE1-CB 4.01Å; F110-L164 HydrophobicContact CE1-CD1 4.11Å; F110-I166 HydrophobicContact CB-CG2 4.21Å; F110-I166 HydrophobicContact CD1-CB 4.49Å; F110-I166 HydrophobicContact CD1-CG2 4.35Å; F110-I169 HydrophobicContact CB-CD1 4.41Å; F110-I169 HydrophobicContact CB-CG1 4.29Å; F110-V204 CarbonylContact O-C 3.56Å; F110-V204 WeakPolarHBondContact O-CA 3.4Å; F110-L205 HydrophobicContact CB-CB 4.15Å; F110-L205 HydrophobicContact CD2-CB 4.48Å; F110-L205 HydrophobicContact CD2-CD2 3.81Å; F110-L205 HydrophobicContact CE2-CD2 4.43Å; F110-L205 PolarHBondContact N-O 2.83Å; F110-L205 PolarHBondContact O-N 2.83Å; F110-A256 HydrophobicContact CE2-CB 4.21Å; F110-A256 HydrophobicContact CZ-CB 4.35Å; F110-I258 HydrophobicContact CZ-CD1 4.12Å
111	I	95.2	Very high	90.3	Very high	0 Å²	0	44 Å²	44	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	144.1	173.1	-177.7	166.6	0	0	0	109.9	L88 K113 I115 A116 L121 V146 F148 A163 L164 C165 I166 D203 V204	L88-I111 HydrophobicContact CD1-CD1 3.43Å; L88-I111 VanDerWaalsContact CD1-CD1 3.43Å; I111-K113 PolarHBondContact O-N 2.94Å; I111-I115 HydrophobicContact CD1-CG2 4.14Å; I111-I115 HydrophobicContact CG1-CB 4.46Å; I111-I115 HydrophobicContact CG1-CG2 4.48Å; I111-A116 HydrophobicContact CD1-CB 4.28Å; I111-A116 HydrophobicContact CG1-CB 4.49Å; I111-A116 HydrophobicContact CG2-CB 4.27Å; I111-L121 HydrophobicContact CD1-CD1 4.04Å; I111-V146 HydrophobicContact CG2-CG2 3.66Å; I111-F148 HydrophobicContact CB-CE1 4.05Å; I111-F148 HydrophobicContact CB-CZ 4.48Å; I111-F148 HydrophobicContact CD1-CD1 3.89Å; I111-F148 HydrophobicContact CD1-CE1 3.58Å; I111-F148 HydrophobicContact CD1-CZ 4.13Å; I111-F148 HydrophobicContact CG1-CE1 4.37Å; I111-F148 HydrophobicContact CG2-CE1 4.28Å; I111-A163 HydrophobicContact CB-CB 4.19Å; I111-A163 HydrophobicContact CG2-CB 4.02Å; I111-L164 PolarHBondContact N-O 2.74Å; I111-C165 WeakPolarHBondContact O-CA 3.47Å; I111-I166 PolarHBondContact O-N 3.33Å; I111-D203 WeakPolarHBondContact CA-O 3.28Å; I111-V204 HydrophobicContact CD1-CG2 4.35Å; I111-V204 HydrophobicContact CG1-CG2 4.17Å
112	R	94.5	Very high	89.9	Confident	43 Å²	43	52.1 Å²	52.1	16%	0.162	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	130.2	174.8	-150.3	174.5	65.1	-141.1	-2.7	110.3	D114 I115 A116 I166 D167 T201 D203	R112-D114 VanDerWaalsContact C-N 3.34Å; R112-D114 VanDerWaalsContact CB-OD1 3.28Å; R112-D114 WeakPolarHBondContact CB-OD1 3.36Å; R112-D114 WeakPolarHBondContact CD-OD1 3.42Å; R112-D114 WeakPolarHBondContact CG-OD1 3.47Å; R112-D114 IonicContact CZ-OD1 3.65Å; R112-D114 IonicContact CZ-OD2 2.68Å; R112-D114 VanDerWaalsContact CZ-OD2 3.28Å; R112-D114 IonicContact NE-OD1 2.94Å; R112-D114 PolarHBondContact NE-OD1 2.82Å; R112-D114 IonicContact NE-OD2 3.64Å; R112-D114 PolarHBondContact NE-OD2 2.95Å; R112-D114 IonicContact NH2-OD1 3.84Å; R112-D114 IonicContact NH2-OD2 3.75Å; R112-D114 PolarHBondContact NH2-OD2 3.28Å; R112-D114 PolarHBondContact O-N 3.37Å; R112-I115 HydrophobicContact CB-CG1 4.17Å; R112-I115 WeakPolarHBondContact O-CB 3.48Å; R112-I115 PolarHBondContact O-N 3.49Å; R112-I115 VanDerWaalsContact O-N 3.12Å; R112-A116 PolarHBondContact O-N 2.83Å; R112-A116 VanDerWaalsContact O-N 3.14Å; R112-I166 CarbonylContact C-O 3.53Å; R112-I166 VanDerWaalsContact CA-O 3.29Å; R112-I166 WeakPolarHBondContact CA-O 3.32Å; R112-D167 VanDerWaalsContact CG-O 3.29Å; R112-D167 WeakPolarHBondContact CG-O 3.34Å; R112-T201 VanDerWaalsContact NH1-CG2 3.25Å; R112-D203 IonicContact CZ-OD1 3.7Å; R112-D203 PolarHBondContact N-O 2.83Å; R112-D203 IonicContact NH1-OD1 2.73Å; R112-D203 PolarHBondContact NH1-OD1 2.86Å; R112-D203 IonicContact NH2-OD1 2.68Å; R112-D203 PolarHBondContact NH2-OD1 3.36Å
113	K	93	Very high	89.6	Confident	85 Å²	85	53.5 Å²	53.5	37%	0.37	28%	0.28	S	S	.	.	H	α-helix	trans	-59.3	-42.3	-170.4	-175	-174.4	175.4	-172.7	0	112.7	I111 I115 A116 E117 C165 I166 D167	I111-K113 PolarHBondContact O-N 2.94Å; K113-I115 VanDerWaalsContact C-N 3.34Å; K113-I115 PolarHBondContact O-N 3.02Å; K113-A116 PolarHBondContact O-N 2.65Å; K113-E117 WeakPolarHBondContact CE-OE1 3.28Å; K113-E117 HydrophobicContact CG-CG 4.42Å; K113-E117 WeakPolarHBondContact O-CB 3.32Å; K113-E117 WeakPolarHBondContact O-CG 3.41Å; K113-E117 PolarHBondContact O-N 2.94Å; K113-C165 HydrophobicContact CB-CB 4.34Å; K113-C165 HydrophobicContact CG-CB 4.36Å; K113-I166 PolarHBondContact N-O 3.18Å; K113-D167 WeakPolarHBondContact CD-OD1 3.47Å; K113-D167 IonicContact NZ-OD1 3.65Å
114	D	94	Very high	89.4	Confident	78 Å²	78	57.9 Å²	57.9	42%	0.417	30%	0.3	S	S	.	.	H	α-helix	trans	-59.7	-38.4	175.9	65.1	-30.5	0	0	0	112.9	R112 G118	R112-D114 VanDerWaalsContact C-N 3.34Å; R112-D114 VanDerWaalsContact CB-OD1 3.28Å; R112-D114 WeakPolarHBondContact CB-OD1 3.36Å; R112-D114 WeakPolarHBondContact CD-OD1 3.42Å; R112-D114 WeakPolarHBondContact CG-OD1 3.47Å; R112-D114 IonicContact CZ-OD1 3.65Å; R112-D114 IonicContact CZ-OD2 2.68Å; R112-D114 VanDerWaalsContact CZ-OD2 3.28Å; R112-D114 IonicContact NE-OD1 2.94Å; R112-D114 PolarHBondContact NE-OD1 2.82Å; R112-D114 IonicContact NE-OD2 3.64Å; R112-D114 PolarHBondContact NE-OD2 2.95Å; R112-D114 IonicContact NH2-OD1 3.84Å; R112-D114 IonicContact NH2-OD2 3.75Å; R112-D114 PolarHBondContact NH2-OD2 3.28Å; R112-D114 PolarHBondContact O-N 3.37Å; D114-G118 PolarHBondContact O-N 2.97Å
115	I	94.7	Very high	89.3	Confident	23 Å²	23	58.1 Å²	58.1	12%	0.118	31%	0.305	C	S	.	.	H	α-helix	trans	-67	-45.9	175.5	-60.8	-64.9	0	0	0	110.4	L88 V98 I111 R112 K113 E117 G118 L119 D203	L88-I115 HydrophobicContact CD1-CG2 4.36Å; V98-I115 HydrophobicContact CG1-CG2 4.18Å; I111-I115 HydrophobicContact CD1-CG2 4.14Å; I111-I115 HydrophobicContact CG1-CB 4.46Å; I111-I115 HydrophobicContact CG1-CG2 4.48Å; R112-I115 HydrophobicContact CB-CG1 4.17Å; R112-I115 WeakPolarHBondContact O-CB 3.48Å; R112-I115 PolarHBondContact O-N 3.49Å; R112-I115 VanDerWaalsContact O-N 3.12Å; K113-I115 VanDerWaalsContact C-N 3.34Å; K113-I115 PolarHBondContact O-N 3.02Å; I115-E117 VanDerWaalsContact C-N 3.34Å; I115-E117 PolarHBondContact O-N 2.72Å; I115-G118 PolarHBondContact O-N 3.15Å; I115-L119 HydrophobicContact CG2-CD1 4.11Å; I115-L119 WeakPolarHBondContact O-CB 3.33Å; I115-L119 WeakPolarHBondContact O-CG 3.43Å; I115-L119 PolarHBondContact O-N 3.26Å; I115-L119 VanDerWaalsContact O-N 3.07Å; I115-D203 HydrophobicContact CG1-CB 4.32Å
116	A	93.7	Very high	89.2	Confident	3 Å²	3	58.7 Å²	58.7	3%	0.025	30%	0.301	C	S	.	.	H	α-helix	trans	-62.4	-41.1	178	0	0	0	0	0	111.9	I111 R112 K113 R120 L121 V146 C165	I111-A116 HydrophobicContact CD1-CB 4.28Å; I111-A116 HydrophobicContact CG1-CB 4.49Å; I111-A116 HydrophobicContact CG2-CB 4.27Å; R112-A116 PolarHBondContact O-N 2.83Å; R112-A116 VanDerWaalsContact O-N 3.14Å; K113-A116 PolarHBondContact O-N 2.65Å; A116-R120 PolarHBondContact O-N 3.19Å; A116-L121 HydrophobicContact CB-CD1 4.14Å; A116-L121 PolarHBondContact O-N 2.9Å; A116-V146 HydrophobicContact CB-CG2 4.15Å; A116-C165 VanDerWaalsContact CB-SG 3.53Å
117	E	92.6	Very high	88.6	Confident	120 Å²	120	63.4 Å²	63.4	56%	0.561	32%	0.32	S	S	*	.	H	α-helix	trans	-69.5	-44.9	177	-73.4	175.2	172.9	0	0	112.3	K113 I115 L119 R120	K113-E117 WeakPolarHBondContact CE-OE1 3.28Å; K113-E117 HydrophobicContact CG-CG 4.42Å; K113-E117 WeakPolarHBondContact O-CB 3.32Å; K113-E117 WeakPolarHBondContact O-CG 3.41Å; K113-E117 PolarHBondContact O-N 2.94Å; I115-E117 VanDerWaalsContact C-N 3.34Å; I115-E117 PolarHBondContact O-N 2.72Å; E117-L119 VanDerWaalsContact C-N 3.25Å; E117-L119 PolarHBondContact O-N 3.3Å; E117-R120 WeakPolarHBondContact O-CA 3.44Å; E117-R120 PolarHBondContact O-N 3.17Å
118	G	91.9	Very high	88.3	Confident	56 Å²	56	58.6 Å²	58.6	58%	0.577	30%	0.298	S	S	*	.	H	α-helix	trans	-59.9	-35.7	177.3	0	0	0	0	0	112.9	D114 I115 R120	D114-G118 PolarHBondContact O-N 2.97Å; I115-G118 PolarHBondContact O-N 3.15Å; G118-R120 VanDerWaalsContact C-N 3.32Å
119	L	92.6	Very high	87.4	Confident	10 Å²	10	57 Å²	57	5%	0.052	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.5	-3.5	174.7	-69.7	174.7	0	0	0	114.4	L88 R94 I115 E117 L121	L88-L119 HydrophobicContact CD1-CD1 4.25Å; L88-L119 HydrophobicContact CD2-CD1 3.25Å; L88-L119 HydrophobicContact CG-CD1 4.19Å; R94-L119 HydrophobicContact CB-CD2 3.72Å; I115-L119 HydrophobicContact CG2-CD1 4.11Å; I115-L119 WeakPolarHBondContact O-CB 3.33Å; I115-L119 WeakPolarHBondContact O-CG 3.43Å; I115-L119 PolarHBondContact O-N 3.26Å; I115-L119 VanDerWaalsContact O-N 3.07Å; E117-L119 VanDerWaalsContact C-N 3.25Å; E117-L119 PolarHBondContact O-N 3.3Å; L119-L121 VanDerWaalsContact C-N 3.3Å; L119-L121 HydrophobicContact CB-CD2 4.09Å; L119-L121 HydrophobicContact CB-CG 3.99Å; L119-L121 PolarHBondContact O-N 3.12Å
120	R	90	Very high	86.4	Confident	175 Å²	175	58 Å²	58	66%	0.66	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.8	47.7	-175	-59.7	-176.2	-175.7	177.9	-2.8	112.1	R94 A116 E117 G118 E122	R94-R120 VanDerWaalsContact NH1-CD 3.26Å; A116-R120 PolarHBondContact O-N 3.19Å; E117-R120 WeakPolarHBondContact O-CA 3.44Å; E117-R120 PolarHBondContact O-N 3.17Å; G118-R120 VanDerWaalsContact C-N 3.32Å; R120-E122 PolarHBondContact O-N 3.15Å
121	L	91.4	Very high	85.2	Confident	6 Å²	6	58.2 Å²	58.2	3%	0.031	30%	0.302	C	S	.	.			trans	-69.8	125.3	175.7	-57.4	-178.9	0	0	0	109.8	S90 I111 A116 L119 K144 V146 F148	S90-L121 VanDerWaalsContact CB-CD2 3.47Å; I111-L121 HydrophobicContact CD1-CD1 4.04Å; A116-L121 HydrophobicContact CB-CD1 4.14Å; A116-L121 PolarHBondContact O-N 2.9Å; L119-L121 VanDerWaalsContact C-N 3.3Å; L119-L121 HydrophobicContact CB-CD2 4.09Å; L119-L121 HydrophobicContact CB-CG 3.99Å; L119-L121 PolarHBondContact O-N 3.12Å; L121-K144 WeakPolarHBondContact O-CE 3.42Å; L121-K144 PolarHBondContact O-NZ 2.88Å; L121-V146 HydrophobicContact CB-CB 3.76Å; L121-V146 HydrophobicContact CB-CG1 3.9Å; L121-V146 HydrophobicContact CB-CG2 4.22Å; L121-V146 HydrophobicContact CD1-CB 4.24Å; L121-V146 HydrophobicContact CD1-CG2 3.86Å; L121-F148 HydrophobicContact CD1-CB 4.02Å; L121-F148 HydrophobicContact CD1-CD1 3.88Å; L121-F148 HydrophobicContact CD1-CG 4.33Å; L121-F148 HydrophobicContact CD2-CB 4.33Å
122	E	85.7	Confident	83.9	Confident	173 Å²	173	60.7 Å²	60.7	81%	0.808	32%	0.317	S	S	*	.			trans	-86.6	152.1	174.4	-67.2	-175.7	-179	0	0	110.3	R120	R120-E122 PolarHBondContact O-N 3.15Å
123	G	86.4	Confident	82.5	Confident	39 Å²	39	63.9 Å²	63.9	40%	0.402	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	176.2	160.7	-167.8	0	0	0	0	0	111.9	C145	G123-C145 CarbonylContact C-O 3.52Å; G123-C145 WeakPolarHBondContact CA-O 3.29Å
124	H	85.4	Confident	80.9	Confident	116 Å²	116	63.1 Å²	63.1	54%	0.537	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	157.8	178.7	65.5	-64.9	0	0	0	110.2	E126 K144 C145	H124-E126 IonicContact CE1-OE1 2.73Å; H124-E126 PolarHBondContact CE1-OE1 3.22Å; H124-E126 VanDerWaalsContact CE1-OE1 3.32Å; H124-E126 WeakPolarHBondContact NE2-CG 3.36Å; H124-E126 IonicContact NE2-OE1 3.62Å; H124-E126 PolarHBondContact NE2-OE1 3.09Å; H124-E126 VanDerWaalsContact NE2-OE1 3.13Å; H124-K144 CarbonylContact O-C 3.13Å; H124-K144 WeakPolarHBondContact O-CA 3.27Å; H124-C145 PolarHBondContact N-O 2.8Å; H124-C145 PolarHBondContact O-N 2.75Å
125	S	83.6	Confident	79.1	Confident	88 Å²	88	62.2 Å²	62.2	62%	0.615	36%	0.361	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.5	123.5	175.2	-65.1	0	0	0	0	110
126	E	77.6	Confident	77	Confident	40 Å²	40	70.4 Å²	70.4	19%	0.187	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	142.7	173	-66.5	177.3	-140.2	0	0	109.1	R108 H124 V128 K142 H143 C145 L164	R108-E126 IonicContact CZ-OE2 3.62Å; R108-E126 IonicContact NH1-OE2 2.64Å; R108-E126 PolarHBondContact NH1-OE2 2.98Å; R108-E126 IonicContact NH2-OE1 2.72Å; R108-E126 PolarHBondContact NH2-OE1 2.84Å; R108-E126 IonicContact NH2-OE2 3.68Å; R108-E126 PolarHBondContact NH2-OE2 3.03Å; H124-E126 IonicContact CE1-OE1 2.73Å; H124-E126 PolarHBondContact CE1-OE1 3.22Å; H124-E126 VanDerWaalsContact CE1-OE1 3.32Å; H124-E126 WeakPolarHBondContact NE2-CG 3.36Å; H124-E126 IonicContact NE2-OE1 3.62Å; H124-E126 PolarHBondContact NE2-OE1 3.09Å; H124-E126 VanDerWaalsContact NE2-OE1 3.13Å; E126-V128 HydrophobicContact CB-CG1 4.08Å; E126-K142 CarbonylContact O-C 3.38Å; E126-K142 WeakPolarHBondContact O-CA 3.5Å; E126-H143 PolarHBondContact N-O 3.49Å; E126-H143 PolarHBondContact O-N 3.4Å; E126-C145 HydrophobicContact CG-CB 4.29Å; E126-C145 WeakPolarHBondContact OE1-CB 3.21Å; E126-C145 PolarHBondContact OE1-SG 2.82Å; E126-L164 HydrophobicContact CB-CD2 4.39Å
127	K	69.1	Low	75.2	Confident	104 Å²	104	75.4 Å²	75.4	45%	0.452	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	113.5	171.8	-156.7	-177.5	-178.8	-161.7	0	107.7	I140 G141 K142	K127-I140 HydrophobicContact CG-CG2 4.37Å; K127-G141 WeakPolarHBondContact CA-O 3.37Å; K127-K142 HydrophobicContact CB-CG 4.43Å; K127-K142 HydrophobicContact CG-CG 4.18Å
128	V	70.6	Confident	73.5	Confident	5 Å²	5	73.2 Å²	73.2	3%	0.03	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	146.1	-172.4	-65.7	0	0	0	0	110.7	E126 I130 G141 H143 L164 I258	E126-V128 HydrophobicContact CB-CG1 4.08Å; V128-I130 HydrophobicContact CG2-CG1 4.3Å; V128-G141 PolarHBondContact N-O 3.4Å; V128-G141 PolarHBondContact O-N 3.15Å; V128-H143 HydrophobicContact CG2-CB 3.96Å; V128-H143 WeakPolarHBondContact CG2-CD2 3.5Å; V128-L164 HydrophobicContact CG1-CD1 4.2Å; V128-L164 HydrophobicContact CG2-CD1 4.32Å; V128-I258 HydrophobicContact CB-CD1 4.34Å; V128-I258 HydrophobicContact CB-CG2 3.76Å; V128-I258 HydrophobicContact CG1-CD1 4.41Å; V128-I258 HydrophobicContact CG1-CG2 3.78Å
129	I	66.4	Low	72.1	Confident	23 Å²	23	78.3 Å²	78.3	12%	0.118	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	113.9	169.8	-48	-168.9	0	0	0	106.6	I140 T257 I258 E259	I129-I140 HydrophobicContact CD1-CD1 4.23Å; I129-I140 HydrophobicContact CD1-CG1 4.1Å; I129-I140 HydrophobicContact CG1-CG1 3.97Å; I129-I140 HydrophobicContact CG2-CG1 4.35Å; I129-T257 VanDerWaalsContact O-O 3.11Å; I129-I258 VanDerWaalsContact O-CA 3.29Å; I129-I258 WeakPolarHBondContact O-CA 3.49Å; I129-E259 HydrophobicContact CB-CB 4.3Å; I129-E259 HydrophobicContact CD1-CB 4.42Å; I129-E259 PolarHBondContact O-N 2.96Å
130	I	73.1	Confident	70.5	Confident	23 Å²	23	82.2 Å²	82.2	12%	0.118	45%	0.446	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	114.3	176.1	-59.7	169.9	0	0	0	107.8	F110 V128 S138 K139 I166 A256	F110-I130 HydrophobicContact CE1-CD1 3.89Å; F110-I130 HydrophobicContact CE1-CG1 4.48Å; F110-I130 HydrophobicContact CZ-CD1 4.41Å; V128-I130 HydrophobicContact CG2-CG1 4.3Å; I130-S138 WeakPolarHBondContact O-CA 3.29Å; I130-K139 PolarHBondContact N-O 2.93Å; I130-K139 VanDerWaalsContact N-O 3.07Å; I130-K139 PolarHBondContact O-N 2.82Å; I130-K139 VanDerWaalsContact O-N 3.14Å; I130-I166 HydrophobicContact CD1-CD1 4.34Å; I130-A256 HydrophobicContact CG2-CB 4.12Å
131	S	67.1	Low	69.5	Low	13 Å²	13	74.7 Å²	74.7	9%	0.091	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	127.2	179.6	-72.7	0	0	0	0	110.6	A256 T257	S131-A256 CarbonylContact O-C 3.56Å; S131-A256 VanDerWaalsContact O-CA 3.27Å; S131-A256 WeakPolarHBondContact O-CA 3.22Å; S131-T257 VanDerWaalsContact CB-OG1 3.32Å; S131-T257 WeakPolarHBondContact CB-OG1 3.5Å; S131-T257 PolarHBondContact N-O 2.9Å; S131-T257 PolarHBondContact O-N 2.89Å
132	T	68.2	Low	68.9	Low	52 Å²	52	82.5 Å²	82.5	32%	0.319	46%	0.457	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	171.9	-177.4	66	0	0	0	0	114	G134 G135 L137 Y255	T132-G134 PolarHBondContact O-N 2.83Å; T132-G135 PolarHBondContact O-N 2.9Å; T132-L137 PolarHBondContact N-O 3.33Å; T132-Y255 WeakPolarHBondContact CA-O 3.28Å
133	L	65.5	Low	68.8	Low	110 Å²	110	75.8 Å²	75.8	58%	0.576	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.7	124.7	179.7	-168.6	69.8	0	0	0	111.1	A253 Y255	L133-A253 HydrophobicContact CD2-CB 3.91Å; L133-Y255 HydrophobicContact CD1-CG 4.38Å
134	G	60.1	Low	69	Low	69 Å²	69	77.9 Å²	77.9	71%	0.711	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	90.7	1.3	-179.1	0	0	0	0	0	115.2	T132 K136	T132-G134 PolarHBondContact O-N 2.83Å; G134-K136 PolarHBondContact O-N 2.87Å
135	G	54.7	Low	69.3	Low	58 Å²	58	72.6 Å²	72.6	60%	0.598	40%	0.399	S	S	*	.	S	Bend	trans	67	7.1	167.4	0	0	0	0	0	115.9	T132	T132-G135 PolarHBondContact O-N 2.9Å
136	K	51.5	Low	69.8	Low	196 Å²	196	68.4 Å²	68.4	85%	0.852	37%	0.37	S	S	*	.			trans	-81.6	-14.1	-175.8	-73.3	-174.7	179.1	179.2	0	114.1	G134	G134-K136 PolarHBondContact O-N 2.87Å
137	L	54.8	Low	70.6	Confident	107 Å²	107	69.8 Å²	69.8	56%	0.56	38%	0.381	S	S	*	.			trans	-135.1	90	-175.1	-68.3	164.8	0	0	0	109.2	T132	T132-L137 PolarHBondContact N-O 3.33Å
138	S	57.3	Low	71.8	Confident	75 Å²	75	65 Å²	65	52%	0.524	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	107.2	166.8	57.2	0	0	0	0	108.1	I130	I130-S138 WeakPolarHBondContact O-CA 3.29Å
139	K	62.8	Low	73	Confident	162 Å²	162	66.7 Å²	66.7	70%	0.704	37%	0.37	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103.1	120.9	174.6	-163.5	175.6	-178.1	-179.2	0	109.2	I130	I130-K139 PolarHBondContact N-O 2.93Å; I130-K139 VanDerWaalsContact N-O 3.07Å; I130-K139 PolarHBondContact O-N 2.82Å; I130-K139 VanDerWaalsContact O-N 3.14Å
140	I	58.4	Low	74.3	Confident	93 Å²	93	65.6 Å²	65.6	48%	0.477	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	122.1	168.9	-51	-178.4	0	0	0	107.3	K127 I129	K127-I140 HydrophobicContact CG-CG2 4.37Å; I129-I140 HydrophobicContact CD1-CD1 4.23Å; I129-I140 HydrophobicContact CD1-CG1 4.1Å; I129-I140 HydrophobicContact CG1-CG1 3.97Å; I129-I140 HydrophobicContact CG2-CG1 4.35Å
141	G	69.2	Low	75.2	Confident	16 Å²	16	66.7 Å²	66.7	17%	0.165	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	154.1	178.6	0	0	0	0	0	111.8	K127 V128 H143	K127-G141 WeakPolarHBondContact CA-O 3.37Å; V128-G141 PolarHBondContact N-O 3.4Å; V128-G141 PolarHBondContact O-N 3.15Å; G141-H143 PolarHBondContact O-CD2 2.79Å
142	K	78.5	Confident	76.1	Confident	171 Å²	171	66.5 Å²	66.5	74%	0.743	37%	0.369	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.1	118.1	160.8	-78.7	-174.9	177.4	-178.2	0	107.6	E126 K127	E126-K142 CarbonylContact O-C 3.38Å; E126-K142 WeakPolarHBondContact O-CA 3.5Å; K127-K142 HydrophobicContact CB-CG 4.43Å; K127-K142 HydrophobicContact CG-CG 4.18Å
143	H	84.6	Confident	76.4	Confident	31 Å²	31	69.7 Å²	69.7	14%	0.144	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	136	178.7	-68.5	-97.5	0	0	0	108.8	E126 V128 G141 C145 L164 C165	E126-H143 PolarHBondContact N-O 3.49Å; E126-H143 PolarHBondContact O-N 3.4Å; V128-H143 HydrophobicContact CG2-CB 3.96Å; V128-H143 WeakPolarHBondContact CG2-CD2 3.5Å; G141-H143 PolarHBondContact O-CD2 2.79Å; H143-C145 PolarHBondContact O-N 2.88Å; H143-L164 HydrophobicContact CB-CB 4.47Å; H143-L164 HydrophobicContact CB-CD2 4.05Å; H143-C165 PolarHBondContact ND1-O 3.18Å
144	K	90.2	Very high	76.5	Confident	84 Å²	84	67.8 Å²	67.8	37%	0.365	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	123.8	175.6	-168.7	178.3	173.2	-173.8	0	108.4	L121 H124 V146 C165	L121-K144 WeakPolarHBondContact O-CE 3.42Å; L121-K144 PolarHBondContact O-NZ 2.88Å; H124-K144 CarbonylContact O-C 3.13Å; H124-K144 WeakPolarHBondContact O-CA 3.27Å; K144-V146 HydrophobicContact CD-CG1 4.05Å; K144-V146 HydrophobicContact CG-CG1 3.93Å; K144-C165 HydrophobicContact CB-CB 4.37Å; K144-C165 WeakPolarHBondContact O-CB 3.38Å; K144-C165 PolarHBondContact O-N 3.25Å; K144-C165 PolarHBondContact O-SG 2.75Å; K144-C165 VanDerWaalsContact O-SG 3.36Å
145	C	91.7	Very high	76.9	Confident	5 Å²	5	67.7 Å²	67.7	3%	0.034	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	118.8	170.9	-172.5	0	0	0	0	109	G123 H124 E126 H143 A163 L164	G123-C145 CarbonylContact C-O 3.52Å; G123-C145 WeakPolarHBondContact CA-O 3.29Å; H124-C145 PolarHBondContact N-O 2.8Å; H124-C145 PolarHBondContact O-N 2.75Å; E126-C145 HydrophobicContact CG-CB 4.29Å; E126-C145 WeakPolarHBondContact OE1-CB 3.21Å; E126-C145 PolarHBondContact OE1-SG 2.82Å; H143-C145 PolarHBondContact O-N 2.88Å; C145-A163 WeakPolarHBondContact CA-O 3.44Å; C145-L164 HydrophobicContact CB-CD2 3.83Å
146	V	94.5	Very high	77.7	Confident	0 Å²	0	67.2 Å²	67.2	0%	0	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	151.7	-176.3	-64.9	0	0	0	0	110.8	I111 A116 L121 K144 F148 S162 A163	I111-V146 HydrophobicContact CG2-CG2 3.66Å; A116-V146 HydrophobicContact CB-CG2 4.15Å; L121-V146 HydrophobicContact CB-CB 3.76Å; L121-V146 HydrophobicContact CB-CG1 3.9Å; L121-V146 HydrophobicContact CB-CG2 4.22Å; L121-V146 HydrophobicContact CD1-CB 4.24Å; L121-V146 HydrophobicContact CD1-CG2 3.86Å; K144-V146 HydrophobicContact CD-CG1 4.05Å; K144-V146 HydrophobicContact CG-CG1 3.93Å; V146-F148 HydrophobicContact CG2-CD1 4.42Å; V146-S162 CarbonylContact O-C 3.48Å; V146-S162 WeakPolarHBondContact O-CA 3.4Å; V146-A163 PolarHBondContact N-O 2.86Å; V146-A163 PolarHBondContact O-N 3.07Å
147	T	94.3	Very high	79.1	Confident	69 Å²	69	67.5 Å²	67.5	42%	0.423	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	136.6	178.6	-56.8	0	0	0	0	110.9	V160 V161 S162	T147-V160 HydrophobicContact CG2-CG1 3.48Å; T147-V160 VanDerWaalsContact CG2-CG1 3.48Å; T147-V161 WeakPolarHBondContact CA-O 3.49Å; T147-S162 PolarHBondContact OG1-OG 2.96Å
148	F	94.4	Very high	80.7	Confident	4 Å²	4	63.2 Å²	63.2	2%	0.018	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	165.7	177.6	56	-95	0	0	0	111.9	L88 I111 L121 V146 L150 V160 V161 A163 V204	L88-F148 HydrophobicContact CD1-CB 4.24Å; L88-F148 HydrophobicContact CD1-CD1 4.08Å; L88-F148 HydrophobicContact CD1-CD2 3.57Å; L88-F148 HydrophobicContact CD1-CE1 4.32Å; L88-F148 HydrophobicContact CD1-CE2 3.83Å; L88-F148 HydrophobicContact CD1-CG 3.7Å; L88-F148 HydrophobicContact CD1-CZ 4.2Å; L88-F148 HydrophobicContact CD2-CB 3.57Å; L88-F148 HydrophobicContact CD2-CD2 4.19Å; L88-F148 HydrophobicContact CD2-CG 3.98Å; L88-F148 HydrophobicContact CG-CB 3.89Å; L88-F148 HydrophobicContact CG-CD2 3.49Å; L88-F148 VanDerWaalsContact CG-CD2 3.49Å; L88-F148 HydrophobicContact CG-CE2 4.14Å; L88-F148 HydrophobicContact CG-CG 3.75Å; I111-F148 HydrophobicContact CB-CE1 4.05Å; I111-F148 HydrophobicContact CB-CZ 4.48Å; I111-F148 HydrophobicContact CD1-CD1 3.89Å; I111-F148 HydrophobicContact CD1-CE1 3.58Å; I111-F148 HydrophobicContact CD1-CZ 4.13Å; I111-F148 HydrophobicContact CG1-CE1 4.37Å; I111-F148 HydrophobicContact CG2-CE1 4.28Å; L121-F148 HydrophobicContact CD1-CB 4.02Å; L121-F148 HydrophobicContact CD1-CD1 3.88Å; L121-F148 HydrophobicContact CD1-CG 4.33Å; L121-F148 HydrophobicContact CD2-CB 4.33Å; V146-F148 HydrophobicContact CG2-CD1 4.42Å; F148-L150 HydrophobicContact CD2-CB 4.49Å; F148-L150 HydrophobicContact CE2-CB 4.35Å; F148-V160 CarbonylContact O-C 3.58Å; F148-V160 WeakPolarHBondContact O-CA 3.39Å; F148-V161 HydrophobicContact CD2-CB 4.35Å; F148-V161 HydrophobicContact CE2-CB 3.89Å; F148-V161 HydrophobicContact CE2-CG1 4.27Å; F148-V161 HydrophobicContact CE2-CG2 4.47Å; F148-V161 HydrophobicContact CZ-CB 4.07Å; F148-V161 HydrophobicContact CZ-CG1 3.98Å; F148-V161 PolarHBondContact N-O 3.21Å; F148-V161 PolarHBondContact O-N 2.92Å; F148-A163 HydrophobicContact CE1-CB 3.72Å; F148-A163 HydrophobicContact CZ-CB 4.08Å; F148-V204 HydrophobicContact CE2-CG1 4.22Å; F148-V204 HydrophobicContact CE2-CG2 4.45Å; F148-V204 HydrophobicContact CZ-CG1 3.84Å; F148-V204 HydrophobicContact CZ-CG2 4.22Å
149	T	94.8	Very high	82.4	Confident	39 Å²	39	60.7 Å²	60.7	24%	0.239	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	127.5	173.8	-50.4	0	0	0	0	110.3	L88 K89 T159	L88-T149 CarbonylContact C-O 3.36Å; L88-T149 WeakPolarHBondContact CA-O 3.48Å; K89-T149 PolarHBondContact N-O 3.32Å; K89-T149 PolarHBondContact O-N 3.29Å; T149-T159 CarbonylContact C-O 3.43Å; T149-T159 WeakPolarHBondContact CA-O 3.45Å
150	L	94.4	Very high	83.8	Confident	1 Å²	1	57 Å²	57	1%	0.005	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	127.4	-180	-171	63.5	0	0	0	111.2	L88 V98 V100 F148 G158 T159 I206 F214 L234	L88-L150 HydrophobicContact CB-CD1 4.31Å; V98-L150 HydrophobicContact CG2-CD1 3.62Å; V100-L150 HydrophobicContact CG1-CD2 4.05Å; V100-L150 HydrophobicContact CG2-CD1 4.04Å; V100-L150 HydrophobicContact CG2-CD2 3.81Å; V100-L150 HydrophobicContact CG2-CG 4.45Å; F148-L150 HydrophobicContact CD2-CB 4.49Å; F148-L150 HydrophobicContact CE2-CB 4.35Å; L150-G158 CarbonylContact O-C 3.51Å; L150-G158 WeakPolarHBondContact O-CA 3.38Å; L150-T159 PolarHBondContact N-O 2.64Å; L150-T159 PolarHBondContact O-N 2.72Å; L150-I206 HydrophobicContact CD2-CD1 4.19Å; L150-I206 HydrophobicContact CD2-CG1 4.24Å; L150-F214 HydrophobicContact CB-CE1 4.19Å; L150-F214 HydrophobicContact CB-CZ 4.15Å; L150-F214 HydrophobicContact CD2-CE1 3.73Å; L150-F214 HydrophobicContact CD2-CZ 3.76Å; L150-F214 HydrophobicContact CG-CE1 4.22Å; L150-F214 HydrophobicContact CG-CZ 4.44Å; L150-L234 HydrophobicContact CD2-CD1 4.22Å; L150-L234 HydrophobicContact CD2-CD2 4.36Å; L150-L234 HydrophobicContact CG-CD2 4.13Å
151	H	92.7	Very high	85.5	Confident	46 Å²	46	52.5 Å²	52.5	21%	0.213	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	145.6	179.2	-62.1	-98.9	0	0	0	111.5	G86 T87 G156 G158	G86-H151 CarbonylContact C-O 3.48Å; G86-H151 WeakPolarHBondContact CA-O 3.16Å; T87-H151 PolarHBondContact N-O 2.82Å; T87-H151 PolarHBondContact O-N 2.88Å; H151-G156 PolarHBondContact ND1-O 3.49Å; H151-G158 PolarHBondContact CE1-N 3.27Å; H151-G158 WeakPolarHBondContact ND1-CA 3.44Å; H151-G158 PolarHBondContact ND1-N 3.05Å
152	G	85.7	Confident	86.7	Confident	8 Å²	8	53.3 Å²	53.3	8%	0.082	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	168.2	173.2	0	0	0	0	0	114.4	G154 G155	G152-G154 VanDerWaalsContact C-N 3.25Å; G152-G154 PolarHBondContact O-N 3.46Å; G152-G155 PolarHBondContact O-N 2.98Å
153	K	74.9	Confident	87.4	Confident	120 Å²	120	45.1 Å²	45.1	52%	0.522	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-31.4	-178.7	-166.3	173.9	180	175.8	0	114	G155 S194	K153-G155 PolarHBondContact O-N 3.02Å; K153-S194 PolarHBondContact NZ-OG 3.34Å
154	G	67.4	Low	87.8	Confident	69 Å²	69	43.7 Å²	43.7	71%	0.711	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.5	-4.1	-177.2	0	0	0	0	0	116.1	G152	G152-G154 VanDerWaalsContact C-N 3.25Å; G152-G154 PolarHBondContact O-N 3.46Å
155	G	67.3	Low	87.9	Confident	68 Å²	68	40.2 Å²	40.2	70%	0.701	26%	0.259	S	S	*	.			trans	70.2	109.5	-172.1	0	0	0	0	0	111.7	G152 K153	G152-G155 PolarHBondContact O-N 2.98Å; K153-G155 PolarHBondContact O-N 3.02Å
156	G	71.9	Confident	87.8	Confident	48 Å²	48	41.9 Å²	41.9	50%	0.495	27%	0.267	S	S	.	.			trans	-162.7	-175.4	-179.1	0	0	0	0	0	111.7	H151 G158	H151-G156 PolarHBondContact ND1-O 3.49Å; G156-G158 PolarHBondContact O-N 2.65Å; G156-G158 VanDerWaalsContact O-N 3.15Å
157	K	81.6	Confident	87.5	Confident	201 Å²	201	47.7 Å²	47.7	87%	0.874	30%	0.298	S	S	*	.	P	Polyproline II helix	trans	-55.7	120	174.8	-172.2	178.3	-179.7	-177.9	0	108.9
158	G	88.2	Confident	87.1	Confident	17 Å²	17	50.9 Å²	50.9	18%	0.175	30%	0.302	C	S	.	.	P	Polyproline II helix	trans	-81.8	152	177.7	0	0	0	0	0	111.4	L150 H151 G156	L150-G158 CarbonylContact O-C 3.51Å; L150-G158 WeakPolarHBondContact O-CA 3.38Å; H151-G158 PolarHBondContact CE1-N 3.27Å; H151-G158 WeakPolarHBondContact ND1-CA 3.44Å; H151-G158 PolarHBondContact ND1-N 3.05Å; G156-G158 PolarHBondContact O-N 2.65Å; G156-G158 VanDerWaalsContact O-N 3.15Å
159	T	92.7	Very high	86.7	Confident	23 Å²	23	52 Å²	52	14%	0.141	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	131.6	177.2	-56.4	0	0	0	0	109.2	T149 L150 V161 D213 F214	T149-T159 CarbonylContact C-O 3.43Å; T149-T159 WeakPolarHBondContact CA-O 3.45Å; L150-T159 PolarHBondContact N-O 2.64Å; L150-T159 PolarHBondContact O-N 2.72Å; T159-V161 HydrophobicContact CG2-CG2 4.47Å; T159-D213 HydrophobicContact CG2-CB 3.97Å; T159-F214 HydrophobicContact CG2-CE1 4.41Å; T159-F214 HydrophobicContact CG2-CE2 4.01Å; T159-F214 HydrophobicContact CG2-CZ 3.89Å
160	V	93.5	Very high	86.1	Confident	83 Å²	83	50.6 Å²	50.6	50%	0.503	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	127.4	176.5	-178.8	0	0	0	0	108.7	T147 F148 Y210	T147-V160 HydrophobicContact CG2-CG1 3.48Å; T147-V160 VanDerWaalsContact CG2-CG1 3.48Å; F148-V160 CarbonylContact O-C 3.58Å; F148-V160 WeakPolarHBondContact O-CA 3.39Å; V160-Y210 WeakPolarHBondContact O-CE1 3.2Å
161	V	93.8	Very high	85.4	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	132.8	-176.7	179.6	0	0	0	0	108.9	T147 F148 T159 A163 I206 Y210 F214	T147-V161 WeakPolarHBondContact CA-O 3.49Å; F148-V161 HydrophobicContact CD2-CB 4.35Å; F148-V161 HydrophobicContact CE2-CB 3.89Å; F148-V161 HydrophobicContact CE2-CG1 4.27Å; F148-V161 HydrophobicContact CE2-CG2 4.47Å; F148-V161 HydrophobicContact CZ-CB 4.07Å; F148-V161 HydrophobicContact CZ-CG1 3.98Å; F148-V161 PolarHBondContact N-O 3.21Å; F148-V161 PolarHBondContact O-N 2.92Å; T159-V161 HydrophobicContact CG2-CG2 4.47Å; V161-A163 HydrophobicContact CG1-CB 4.35Å; V161-I206 HydrophobicContact CB-CD1 4.46Å; V161-I206 HydrophobicContact CG1-CD1 3.82Å; V161-I206 HydrophobicContact CG2-CD1 3.92Å; V161-Y210 HydrophobicContact CG1-CD2 3.79Å; V161-Y210 HydrophobicContact CG1-CE2 3.96Å; V161-Y210 HydrophobicContact CG1-CG 4.18Å; V161-Y210 HydrophobicContact CG2-CD1 4.41Å; V161-Y210 HydrophobicContact CG2-CG 4.38Å; V161-F214 HydrophobicContact CG2-CE2 3.75Å; V161-F214 HydrophobicContact CG2-CZ 3.59Å
162	S	94	Very high	85	Confident	32 Å²	32	53 Å²	53	22%	0.224	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	119.3	166.1	-64.7	0	0	0	0	109.3	V146 T147 Y210	V146-S162 CarbonylContact O-C 3.48Å; V146-S162 WeakPolarHBondContact O-CA 3.4Å; T147-S162 PolarHBondContact OG1-OG 2.96Å; S162-Y210 WeakPolarHBondContact CB-OH 3.32Å; S162-Y210 PolarHBondContact N-OH 3.43Å; S162-Y210 VanDerWaalsContact N-OH 3.12Å; S162-Y210 WeakPolarHBondContact O-CE2 3.43Å
163	A	93.4	Very high	84.9	Confident	0 Å²	0	53.3 Å²	53.3	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	149.8	-174.5	0	0	0	0	0	112.2	S109 I111 C145 V146 F148 V161	S109-A163 VanDerWaalsContact O-CA 3.29Å; S109-A163 WeakPolarHBondContact O-CA 3.24Å; S109-A163 WeakPolarHBondContact O-CB 3.39Å; I111-A163 HydrophobicContact CB-CB 4.19Å; I111-A163 HydrophobicContact CG2-CB 4.02Å; C145-A163 WeakPolarHBondContact CA-O 3.44Å; V146-A163 PolarHBondContact N-O 2.86Å; V146-A163 PolarHBondContact O-N 3.07Å; F148-A163 HydrophobicContact CE1-CB 3.72Å; F148-A163 HydrophobicContact CZ-CB 4.08Å; V161-A163 HydrophobicContact CG1-CB 4.35Å
164	L	92	Very high	85.2	Confident	0 Å²	0	50.8 Å²	50.8	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	132.3	175.8	-68.6	167.1	0	0	0	111.1	R108 S109 F110 I111 E126 V128 H143 C145 I258	R108-L164 HydrophobicContact CB-CD1 4.27Å; S109-L164 PolarHBondContact O-N 2.59Å; F110-L164 CarbonylContact C-O 3.55Å; F110-L164 VanDerWaalsContact CA-O 3.3Å; F110-L164 WeakPolarHBondContact CA-O 3.4Å; F110-L164 HydrophobicContact CD1-CB 3.82Å; F110-L164 HydrophobicContact CE1-CB 4.01Å; F110-L164 HydrophobicContact CE1-CD1 4.11Å; I111-L164 PolarHBondContact N-O 2.74Å; E126-L164 HydrophobicContact CB-CD2 4.39Å; V128-L164 HydrophobicContact CG1-CD1 4.2Å; V128-L164 HydrophobicContact CG2-CD1 4.32Å; H143-L164 HydrophobicContact CB-CB 4.47Å; H143-L164 HydrophobicContact CB-CD2 4.05Å; C145-L164 HydrophobicContact CB-CD2 3.83Å; L164-I258 HydrophobicContact CD1-CD1 3.3Å
165	C	92.8	Very high	86	Confident	11 Å²	11	49.8 Å²	49.8	7%	0.074	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	130	175.3	-64.9	0	0	0	0	111.4	I111 K113 A116 H143 K144	I111-C165 WeakPolarHBondContact O-CA 3.47Å; K113-C165 HydrophobicContact CB-CB 4.34Å; K113-C165 HydrophobicContact CG-CB 4.36Å; A116-C165 VanDerWaalsContact CB-SG 3.53Å; H143-C165 PolarHBondContact ND1-O 3.18Å; K144-C165 HydrophobicContact CB-CB 4.37Å; K144-C165 WeakPolarHBondContact O-CB 3.38Å; K144-C165 PolarHBondContact O-N 3.25Å; K144-C165 PolarHBondContact O-SG 2.75Å; K144-C165 VanDerWaalsContact O-SG 3.36Å
166	I	89.8	Confident	86.9	Confident	41 Å²	41	47.1 Å²	47.1	21%	0.21	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	148.5	173.7	-164.9	166.8	0	0	0	110.6	F110 I111 R112 K113 I130 R168 I169	F110-I166 HydrophobicContact CB-CG2 4.21Å; F110-I166 HydrophobicContact CD1-CB 4.49Å; F110-I166 HydrophobicContact CD1-CG2 4.35Å; I111-I166 PolarHBondContact O-N 3.33Å; R112-I166 CarbonylContact C-O 3.53Å; R112-I166 VanDerWaalsContact CA-O 3.29Å; R112-I166 WeakPolarHBondContact CA-O 3.32Å; K113-I166 PolarHBondContact N-O 3.18Å; I130-I166 HydrophobicContact CD1-CD1 4.34Å; I166-R168 VanDerWaalsContact C-N 3.3Å; I166-R168 PolarHBondContact O-N 2.86Å; I166-I169 HydrophobicContact CG2-CG1 3.7Å
167	D	87.5	Confident	87.6	Confident	121 Å²	121	46.4 Å²	46.4	65%	0.647	25%	0.247	S	C	*	.	S	Bend	trans	-65.8	-34.9	-177.7	-58.5	-41.5	0	0	0	112.1	R112 K113	R112-D167 VanDerWaalsContact CG-O 3.29Å; R112-D167 WeakPolarHBondContact CG-O 3.34Å; K113-D167 WeakPolarHBondContact CD-OD1 3.47Å; K113-D167 IonicContact NZ-OD1 3.65Å
168	R	86.5	Confident	87.8	Confident	137 Å²	137	41 Å²	41	52%	0.517	23%	0.232	S	C	.	.			trans	-148.5	128.6	178.9	-173	178	-176	171.8	8.5	110.4	I166 C170	I166-R168 VanDerWaalsContact C-N 3.3Å; I166-R168 PolarHBondContact O-N 2.86Å; R168-C170 WeakPolarHBondContact CG-O 3.35Å; R168-C170 PolarHBondContact NE-O 3.27Å
169	I	86.6	Confident	87.6	Confident	28 Å²	28	42 Å²	42	14%	0.144	23%	0.234	C	C	.	.	S	Bend	trans	-80.4	-50.9	180	-66.8	174.7	0	0	0	111.1	F110 I166 V202 D203 L205	F110-I169 HydrophobicContact CB-CD1 4.41Å; F110-I169 HydrophobicContact CB-CG1 4.29Å; I166-I169 HydrophobicContact CG2-CG1 3.7Å; I169-V202 HydrophobicContact CB-CB 4.49Å; I169-V202 HydrophobicContact CB-CG1 4.4Å; I169-V202 HydrophobicContact CD1-CG1 4.07Å; I169-V202 HydrophobicContact CG2-CB 4.39Å; I169-V202 HydrophobicContact CG2-CG1 4Å; I169-D203 WeakPolarHBondContact CD1-O 3.4Å; I169-L205 HydrophobicContact CD1-CB 4.33Å; I169-L205 HydrophobicContact CG2-CB 3.84Å; I169-L205 HydrophobicContact CG2-CD1 4.21Å; I169-L205 HydrophobicContact CG2-CG 4.42Å
170	C	81.8	Confident	87	Confident	8 Å²	8	44 Å²	44	5%	0.054	24%	0.24	C	C	.	.	S	Bend	trans	-152.6	-178.8	178.9	60.1	0	0	0	0	111.9	R168 V202 L254	R168-C170 WeakPolarHBondContact CG-O 3.35Å; R168-C170 PolarHBondContact NE-O 3.27Å; C170-V202 WeakPolarHBondContact SG-CG2 3.49Å; C170-L254 HydrophobicContact CB-CD2 3.8Å
171	S	79.5	Confident	86.4	Confident	28 Å²	28	48.8 Å²	48.8	20%	0.196	26%	0.257	C	S	.	.	S	Bend	trans	-61.5	164.6	168	49.4	0	0	0	0	111.2	L173	S171-L173 PolarHBondContact O-N 3.07Å
172	V	83.7	Confident	85.8	Confident	70 Å²	70	55 Å²	55	42%	0.424	29%	0.286	S	S	.	.	P	Polyproline II helix	trans	-63.5	129.9	177.7	176.7	0	0	0	0	108.3	P199	V172-P199 HydrophobicContact CG1-CB 3.74Å
173	L	83.8	Confident	85.3	Confident	15 Å²	15	53.7 Å²	53.7	8%	0.079	28%	0.276	C	S	.	.	B	Isolated β-bridge	trans	-69.7	137.2	175.8	-62.5	-180	0	0	0	109.9	L81 T83 S171 P199 A200 V202	L81-L173 HydrophobicContact CD1-CD2 3.97Å; T83-L173 HydrophobicContact CG2-CD1 3.59Å; S171-L173 PolarHBondContact O-N 3.07Å; L173-P199 VanDerWaalsContact O-CA 3.29Å; L173-P199 WeakPolarHBondContact O-CA 3.4Å; L173-A200 WeakPolarHBondContact CB-O 3.46Å; L173-A200 PolarHBondContact N-O 3.09Å; L173-A200 PolarHBondContact O-N 3.47Å; L173-A200 VanDerWaalsContact O-N 3.15Å; L173-V202 HydrophobicContact CD1-CG2 3.41Å; L173-V202 VanDerWaalsContact CD1-CG2 3.41Å; L173-V202 HydrophobicContact CD2-CG2 4.17Å; L173-V202 HydrophobicContact CG-CG2 3.69Å
174	E	81	Confident	85	Confident	66 Å²	66	58.1 Å²	58.1	31%	0.308	31%	0.307	S	S	.	.	P	Polyproline II helix	trans	-57.6	158.2	170.6	-65.8	-173.6	168.6	0	0	111.8	R78 R197	R78-E174 IonicContact NH2-OE2 3.88Å; E174-R197 PolarHBondContact O-NH1 2.93Å; E174-R197 PolarHBondContact O-NH2 3.46Å
175	S	84.9	Confident	84.9	Confident	49 Å²	49	59.5 Å²	59.5	34%	0.343	31%	0.314	S	S	.	.	P	Polyproline II helix	trans	-64.3	135.3	177.4	-56	0	0	0	0	112.1	R78 R197 P199	R78-S175 PolarHBondContact NH2-O 3.42Å; S175-R197 CarbonylContact C-O 3.58Å; S175-R197 WeakPolarHBondContact CA-O 3.43Å; S175-R197 WeakPolarHBondContact CB-O 3.36Å; S175-P199 WeakPolarHBondContact OG-CD 3.46Å; S175-P199 WeakPolarHBondContact OG-CG 3.48Å
176	N	86.4	Confident	84.7	Confident	12 Å²	12	59 Å²	59	6%	0.064	31%	0.311	C	S	.	.	B	Isolated β-bridge	trans	-72.9	129.7	167	-64.1	-14.1	0	0	0	109.1	D193 S194 F195 P196 R197	N176-D193 VanDerWaalsContact ND2-CG 3.3Å; N176-D193 PolarHBondContact ND2-OD2 3.35Å; N176-S194 WeakPolarHBondContact CB-O 3.46Å; N176-S194 PolarHBondContact ND2-O 3.28Å; N176-F195 HydrophobicContact CB-CD1 3.71Å; N176-F195 HydrophobicContact CB-CE1 3.73Å; N176-F195 HydrophobicContact CB-CG 4.16Å; N176-F195 HydrophobicContact CB-CZ 4.2Å; N176-P196 VanDerWaalsContact O-CA 3.28Å; N176-P196 WeakPolarHBondContact O-CA 3.06Å; N176-P196 WeakPolarHBondContact O-CB 3.32Å; N176-R197 HydrophobicContact CB-CB 3.98Å; N176-R197 PolarHBondContact N-O 2.81Å; N176-R197 PolarHBondContact ND2-NE 2.73Å; N176-R197 PolarHBondContact O-N 3.03Å; N176-R197 VanDerWaalsContact O-N 3.08Å; N176-R197 PolarHBondContact OD1-NH2 3.4Å
177	P	85.4	Confident	84.5	Confident	33 Å²	33	61.5 Å²	61.5	21%	0.214	32%	0.321	C	S	.	.	P	Polyproline II helix	trans	-71.3	165.1	173.7	33.2	-31.4	0	0	0	110.4	F80 F195	F80-P177 HydrophobicContact CE1-CG 4.09Å; F80-P177 HydrophobicContact CZ-CG 4.03Å; P177-F195 WeakPolarHBondContact O-CD1 3.14Å
178	P	86.4	Confident	84.3	Confident	86 Å²	86	60 Å²	60	56%	0.558	33%	0.334	S	S	*	.	P	Polyproline II helix	trans	-54.8	147.6	164.6	-21.1	32.7	0	0	0	110.8	K180 P196	P178-K180 PolarHBondContact O-N 2.94Å; P178-P196 HydrophobicContact CG-CB 4.14Å; P178-P196 HydrophobicContact CG-CG 4.26Å
179	L	84.1	Confident	84.4	Confident	40 Å²	40	55.4 Å²	55.4	21%	0.209	32%	0.321	C	S	.	.	P	Polyproline II helix	trans	-61	132.3	172	-63.4	172.4	0	0	0	109.1	W183 L186 L191 F195	L179-W183 HydrophobicContact CB-CE3 4.46Å; L179-W183 HydrophobicContact CD2-CE3 3.8Å; L179-W183 HydrophobicContact CD2-CZ3 3.98Å; L179-L186 HydrophobicContact CD2-CB 4.47Å; L179-L186 HydrophobicContact CD2-CD1 4.37Å; L179-L191 HydrophobicContact CD1-CD1 3.65Å; L179-L191 HydrophobicContact CD2-CD1 3.83Å; L179-L191 HydrophobicContact CG-CD1 4.17Å; L179-F195 HydrophobicContact CD2-CB 3.77Å; L179-F195 HydrophobicContact CD2-CD1 4Å; L179-F195 HydrophobicContact CD2-CG 3.87Å; L179-F195 HydrophobicContact CG-CB 3.72Å; L179-F195 HydrophobicContact CG-CG 4.38Å
180	K	81.1	Confident	84.6	Confident	64 Å²	64	58.7 Å²	58.7	28%	0.278	34%	0.343	S	S	.	.	P	Polyproline II helix	trans	-67.5	143.5	173.4	-61.5	-171.8	-174.3	-179.9	0	109.7	P178 E182 W183 Q187 E243	P178-K180 PolarHBondContact O-N 2.94Å; K180-E182 PolarHBondContact O-N 3.26Å; K180-W183 HydrophobicContact CB-CD2 4.09Å; K180-W183 HydrophobicContact CB-CG 4.14Å; K180-W183 HydrophobicContact CD-CZ2 4.03Å; K180-W183 HydrophobicContact CG-CD2 4.43Å; K180-W183 HydrophobicContact CG-CZ2 4.09Å; K180-W183 WeakPolarHBondContact O-CB 3.27Å; K180-W183 PolarHBondContact O-N 3.09Å; K180-Q187 PolarHBondContact O-NE2 3.32Å; K180-E243 PolarHBondContact NZ-O 3.11Å
181	E	80	Confident	85	Confident	183 Å²	183	59.3 Å²	59.3	86%	0.855	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	-35	174.5	-67.2	-176.8	171	0	0	111.8	W183	E181-W183 PolarHBondContact O-N 2.98Å; E181-W183 VanDerWaalsContact O-N 3.15Å
182	E	80.8	Confident	85.6	Confident	132 Å²	132	58 Å²	58	62%	0.617	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	-18	176.6	-61.3	170.8	-179.1	0	0	114.2	K180 S184 Q226	K180-E182 PolarHBondContact O-N 3.26Å; E182-S184 PolarHBondContact O-N 3.41Å; E182-S184 VanDerWaalsContact O-N 3.11Å; E182-Q226 PolarHBondContact O-NE2 2.61Å
183	W	84.9	Confident	86	Confident	3 Å²	3	54.8 Å²	54.8	1%	0.011	32%	0.317	C	S	.	.			trans	-87.7	56.4	178.1	-60.7	-7.7	0	0	0	110.9	F80 L179 K180 E181 H185 L186 Q187 A227 S242	F80-W183 AromaticContact CE2-CH2 3.59Å; F80-W183 HydrophobicContact CE2-CH2 3.59Å; F80-W183 HydrophobicContact CE2-CZ2 4.29Å; F80-W183 HydrophobicContact CE2-CZ3 4.42Å; F80-W183 AromaticContact CZ-CH2 3.68Å; F80-W183 HydrophobicContact CZ-CH2 3.68Å; F80-W183 HydrophobicContact CZ-CZ3 4.39Å; L179-W183 HydrophobicContact CB-CE3 4.46Å; L179-W183 HydrophobicContact CD2-CE3 3.8Å; L179-W183 HydrophobicContact CD2-CZ3 3.98Å; K180-W183 HydrophobicContact CB-CD2 4.09Å; K180-W183 HydrophobicContact CB-CG 4.14Å; K180-W183 HydrophobicContact CD-CZ2 4.03Å; K180-W183 HydrophobicContact CG-CD2 4.43Å; K180-W183 HydrophobicContact CG-CZ2 4.09Å; K180-W183 WeakPolarHBondContact O-CB 3.27Å; K180-W183 PolarHBondContact O-N 3.09Å; E181-W183 PolarHBondContact O-N 2.98Å; E181-W183 VanDerWaalsContact O-N 3.15Å; W183-H185 PolarHBondContact O-N 2.97Å; W183-H185 VanDerWaalsContact O-N 3.13Å; W183-L186 HydrophobicContact CB-CB 4.32Å; W183-L186 HydrophobicContact CB-CD1 4.31Å; W183-L186 HydrophobicContact CB-CG 4.37Å; W183-L186 HydrophobicContact CD2-CD1 4.3Å; W183-L186 HydrophobicContact CE3-CD1 3.78Å; W183-L186 HydrophobicContact CZ3-CD1 4.47Å; W183-L186 PolarHBondContact O-N 3.48Å; W183-Q187 PolarHBondContact O-N 3.32Å; W183-A227 HydrophobicContact CH2-CB 4.06Å; W183-A227 HydrophobicContact CZ2-CB 4.16Å; W183-A227 HydrophobicContact CZ3-CB 4.25Å; W183-S242 VanDerWaalsContact CZ2-OG 3.3Å; W183-S242 WeakPolarHBondContact CZ2-OG 3.29Å
184	S	86.5	Confident	86.3	Confident	93 Å²	93	55.4 Å²	55.4	65%	0.65	32%	0.322	S	S	*	.	G	3₁₀ helix	trans	-55.2	-31.4	-178.5	58.8	0	0	0	0	112.8	E182 L186 Q187	E182-S184 PolarHBondContact O-N 3.41Å; E182-S184 VanDerWaalsContact O-N 3.11Å; S184-L186 PolarHBondContact O-N 3.01Å; S184-Q187 PolarHBondContact O-N 3.36Å
185	H	89.4	Confident	86.7	Confident	30 Å²	30	53.7 Å²	53.7	14%	0.139	31%	0.314	C	S	.	.	G	3₁₀ helix	trans	-67.9	-16.2	175.5	64.4	-69.3	0	0	0	114.4	W183 L220 G222 A227	W183-H185 PolarHBondContact O-N 2.97Å; W183-H185 VanDerWaalsContact O-N 3.13Å; H185-L220 WeakPolarHBondContact O-CD1 3.02Å; H185-G222 PolarHBondContact CD2-N 3.43Å; H185-G222 VanDerWaalsContact CE1-CA 3.42Å; H185-G222 WeakPolarHBondContact CE1-CA 3.28Å; H185-G222 WeakPolarHBondContact ND1-CA 3.47Å; H185-G222 PolarHBondContact NE2-N 3.06Å; H185-A227 PolarHBondContact NE2-O 2.91Å
186	L	89.6	Confident	86.9	Confident	1 Å²	1	55.4 Å²	55.4	1%	0.005	32%	0.324	C	S	.	.	G	3₁₀ helix	trans	-105.5	-1.7	175.1	-56.3	-177.3	0	0	0	112.6	L179 W183 S184 V189 L220 A227 A229 V238	L179-L186 HydrophobicContact CD2-CB 4.47Å; L179-L186 HydrophobicContact CD2-CD1 4.37Å; W183-L186 HydrophobicContact CB-CB 4.32Å; W183-L186 HydrophobicContact CB-CD1 4.31Å; W183-L186 HydrophobicContact CB-CG 4.37Å; W183-L186 HydrophobicContact CD2-CD1 4.3Å; W183-L186 HydrophobicContact CE3-CD1 3.78Å; W183-L186 HydrophobicContact CZ3-CD1 4.47Å; W183-L186 PolarHBondContact O-N 3.48Å; S184-L186 PolarHBondContact O-N 3.01Å; L186-V189 WeakPolarHBondContact O-CG2 3.39Å; L186-L220 HydrophobicContact CD2-CB 4.27Å; L186-L220 HydrophobicContact CD2-CD1 4.4Å; L186-A227 HydrophobicContact CD1-CB 4.49Å; L186-A229 HydrophobicContact CD2-CB 3.45Å; L186-A229 VanDerWaalsContact CD2-CB 3.45Å; L186-V238 HydrophobicContact CD1-CG2 4.41Å
187	Q	85.5	Confident	87	Confident	93 Å²	93	56 Å²	56	44%	0.435	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.3	138	175.5	-61.4	-63.7	-16.5	0	0	109.9	K180 W183 S184 V189	K180-Q187 PolarHBondContact O-NE2 3.32Å; W183-Q187 PolarHBondContact O-N 3.32Å; S184-Q187 PolarHBondContact O-N 3.36Å; Q187-V189 VanDerWaalsContact C-N 3.26Å; Q187-V189 PolarHBondContact O-N 3.31Å
188	G	83.7	Confident	87.2	Confident	88 Å²	88	56.4 Å²	56.4	91%	0.907	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.5	4.4	177.6	0	0	0	0	0	115.9
189	V	87.8	Confident	87.2	Confident	41 Å²	41	56.8 Å²	56.8	25%	0.248	34%	0.338	C	S	.	.	S	Bend	trans	-97.9	144.6	176.9	-51.8	0	0	0	0	111.5	L186 Q187 L191 L220 W236	L186-V189 WeakPolarHBondContact O-CG2 3.39Å; Q187-V189 VanDerWaalsContact C-N 3.26Å; Q187-V189 PolarHBondContact O-N 3.31Å; V189-L191 HydrophobicContact CG2-CD2 3.59Å; V189-L191 HydrophobicContact CG2-CG 4.15Å; V189-L191 PolarHBondContact O-N 3.04Å; V189-L220 HydrophobicContact CB-CD1 4.42Å; V189-L220 HydrophobicContact CG1-CD1 3.85Å; V189-L220 HydrophobicContact CG2-CD1 4.32Å; V189-W236 HydrophobicContact CB-CG 4.33Å; V189-W236 HydrophobicContact CG2-CB 4.29Å; V189-W236 HydrophobicContact CG2-CG 4.3Å
190	T	89.6	Confident	87.5	Confident	98 Å²	98	55.6 Å²	55.6	60%	0.601	33%	0.334	S	S	*	.			trans	-74.4	91.4	175.1	-51.3	0	0	0	0	110.2	W236	T190-W236 PolarHBondContact O-N 2.87Å
191	L	91.7	Very high	88	Confident	20 Å²	20	55.2 Å²	55.2	11%	0.105	34%	0.337	C	S	.	.	B	Isolated β-bridge	trans	-65.2	143.8	176	-62.5	-179	0	0	0	111.6	L179 V189 D193 F195 W236 V238	L179-L191 HydrophobicContact CD1-CD1 3.65Å; L179-L191 HydrophobicContact CD2-CD1 3.83Å; L179-L191 HydrophobicContact CG-CD1 4.17Å; V189-L191 HydrophobicContact CG2-CD2 3.59Å; V189-L191 HydrophobicContact CG2-CG 4.15Å; V189-L191 PolarHBondContact O-N 3.04Å; L191-D193 VanDerWaalsContact CB-O 3.32Å; L191-D193 WeakPolarHBondContact CB-O 3.32Å; L191-F195 HydrophobicContact CD1-CB 4.29Å; L191-F195 HydrophobicContact CD1-CD2 3.66Å; L191-F195 HydrophobicContact CD1-CE2 4.35Å; L191-F195 HydrophobicContact CD1-CG 4.18Å; L191-W236 WeakPolarHBondContact CA-O 3.13Å; L191-W236 HydrophobicContact CD2-CB 4Å; L191-V238 HydrophobicContact CD1-CG2 4.34Å; L191-V238 HydrophobicContact CD2-CG2 3.79Å
192	G	90.7	Very high	88.6	Confident	0 Å²	0	46.6 Å²	46.6	0%	0	30%	0.297	C	S	.	.	S	Bend	trans	-71.3	-31.6	177.7	0	0	0	0	0	112.7	A84 Q85 L234 W236	A84-G192 CarbonylContact C-O 3.49Å; A84-G192 WeakPolarHBondContact CA-O 3.43Å; Q85-G192 PolarHBondContact N-O 3.03Å; G192-L234 WeakPolarHBondContact CA-O 3.2Å; G192-W236 PolarHBondContact N-O 3.36Å
193	D	92	Very high	89.3	Confident	4 Å²	4	41 Å²	41	2%	0.021	27%	0.271	C	S	.	.	S	Bend	trans	-114	166.7	172.5	-160.3	0.7	0	0	0	110.7	T83 Q85 N176 L191 F195 R197	T83-D193 WeakPolarHBondContact CB-OD2 3.09Å; T83-D193 PolarHBondContact OG1-OD2 3.01Å; Q85-D193 WeakPolarHBondContact CG-OD1 3.45Å; N176-D193 VanDerWaalsContact ND2-CG 3.3Å; N176-D193 PolarHBondContact ND2-OD2 3.35Å; L191-D193 VanDerWaalsContact CB-O 3.32Å; L191-D193 WeakPolarHBondContact CB-O 3.32Å; D193-F195 HydrophobicContact CB-CE2 4.03Å; D193-R197 VanDerWaalsContact OD1-CD 3.28Å; D193-R197 WeakPolarHBondContact OD1-CD 3.07Å; D193-R197 IonicContact OD1-NE 3.6Å; D193-R197 PolarHBondContact OD1-NE 3.32Å; D193-R197 IonicContact OD2-CZ 3.84Å; D193-R197 IonicContact OD2-NE 2.79Å; D193-R197 PolarHBondContact OD2-NE 3.33Å; D193-R197 IonicContact OD2-NH2 3.93Å
194	S	90.6	Very high	89.8	Confident	28 Å²	28	40.9 Å²	40.9	20%	0.196	27%	0.271	C	S	.	.			trans	-87.2	138.4	178.4	-57.9	0	0	0	0	111.1	Q85 K153 N176 P196 R197	Q85-S194 PolarHBondContact OE1-OG 2.93Å; K153-S194 PolarHBondContact NZ-OG 3.34Å; N176-S194 WeakPolarHBondContact CB-O 3.46Å; N176-S194 PolarHBondContact ND2-O 3.28Å; S194-P196 CarbonylContact C-O 3.33Å; S194-P196 CarbonylContact O-C 3.57Å; S194-R197 VanDerWaalsContact O-CB 3.24Å; S194-R197 WeakPolarHBondContact O-CB 3.29Å; S194-R197 PolarHBondContact O-N 2.93Å
195	F	89.6	Confident	90.1	Very high	29 Å²	29	36.8 Å²	36.8	13%	0.127	24%	0.242	C	C	.	.	S	Bend	trans	-133	97.2	177.3	-74.2	-101.3	0	0	0	107.9	F80 N176 P177 L179 L191 D193 V238	F80-F195 HydrophobicContact CD1-CE1 4.03Å; F80-F195 HydrophobicContact CD1-CZ 4.49Å; F80-F195 AromaticContact CE1-CE1 3.94Å; F80-F195 HydrophobicContact CE1-CE1 3.94Å; N176-F195 HydrophobicContact CB-CD1 3.71Å; N176-F195 HydrophobicContact CB-CE1 3.73Å; N176-F195 HydrophobicContact CB-CG 4.16Å; N176-F195 HydrophobicContact CB-CZ 4.2Å; P177-F195 WeakPolarHBondContact O-CD1 3.14Å; L179-F195 HydrophobicContact CD2-CB 3.77Å; L179-F195 HydrophobicContact CD2-CD1 4Å; L179-F195 HydrophobicContact CD2-CG 3.87Å; L179-F195 HydrophobicContact CG-CB 3.72Å; L179-F195 HydrophobicContact CG-CG 4.38Å; L191-F195 HydrophobicContact CD1-CB 4.29Å; L191-F195 HydrophobicContact CD1-CD2 3.66Å; L191-F195 HydrophobicContact CD1-CE2 4.35Å; L191-F195 HydrophobicContact CD1-CG 4.18Å; D193-F195 HydrophobicContact CB-CE2 4.03Å; F195-V238 HydrophobicContact CD2-CG2 4.44Å; F195-V238 HydrophobicContact CE1-CB 4.44Å; F195-V238 HydrophobicContact CE1-CG1 4.37Å; F195-V238 HydrophobicContact CE1-CG2 4.48Å; F195-V238 HydrophobicContact CE2-CB 4.08Å; F195-V238 HydrophobicContact CE2-CG2 3.71Å; F195-V238 HydrophobicContact CZ-CB 3.68Å; F195-V238 HydrophobicContact CZ-CG1 4.07Å; F195-V238 HydrophobicContact CZ-CG2 3.76Å
196	P	88.9	Confident	90.4	Very high	86 Å²	86	35.4 Å²	35.4	56%	0.558	24%	0.235	S	C	*	.	S	Bend	cis	-81.7	157.4	11.1	32.3	-34.7	0	0	0	115.1	N176 P178 S194	N176-P196 VanDerWaalsContact O-CA 3.28Å; N176-P196 WeakPolarHBondContact O-CA 3.06Å; N176-P196 WeakPolarHBondContact O-CB 3.32Å; P178-P196 HydrophobicContact CG-CB 4.14Å; P178-P196 HydrophobicContact CG-CG 4.26Å; S194-P196 CarbonylContact C-O 3.33Å; S194-P196 CarbonylContact O-C 3.57Å
197	R	89.3	Confident	90.5	Very high	23 Å²	23	35.3 Å²	35.3	9%	0.087	24%	0.235	C	C	.	.	B	Isolated β-bridge	trans	-135.5	137.4	168.2	179.9	-169.6	48.3	77.4	-0.9	107.9	E174 S175 N176 D193 S194	E174-R197 PolarHBondContact O-NH1 2.93Å; E174-R197 PolarHBondContact O-NH2 3.46Å; S175-R197 CarbonylContact C-O 3.58Å; S175-R197 WeakPolarHBondContact CA-O 3.43Å; S175-R197 WeakPolarHBondContact CB-O 3.36Å; N176-R197 HydrophobicContact CB-CB 3.98Å; N176-R197 PolarHBondContact N-O 2.81Å; N176-R197 PolarHBondContact ND2-NE 2.73Å; N176-R197 PolarHBondContact O-N 3.03Å; N176-R197 VanDerWaalsContact O-N 3.08Å; N176-R197 PolarHBondContact OD1-NH2 3.4Å; D193-R197 VanDerWaalsContact OD1-CD 3.28Å; D193-R197 WeakPolarHBondContact OD1-CD 3.07Å; D193-R197 IonicContact OD1-NE 3.6Å; D193-R197 PolarHBondContact OD1-NE 3.32Å; D193-R197 IonicContact OD2-CZ 3.84Å; D193-R197 IonicContact OD2-NE 2.79Å; D193-R197 PolarHBondContact OD2-NE 3.33Å; D193-R197 IonicContact OD2-NH2 3.93Å; S194-R197 VanDerWaalsContact O-CB 3.24Å; S194-R197 WeakPolarHBondContact O-CB 3.29Å; S194-R197 PolarHBondContact O-N 2.93Å
198	G	88.5	Confident	90.6	Very high	42 Å²	42	33.1 Å²	33.1	43%	0.433	23%	0.233	S	C	.	.			trans	-68.5	-178.2	170.6	0	0	0	0	0	113.2	A200	G198-A200 PolarHBondContact O-N 2.97Å
199	P	87.7	Confident	90.9	Very high	95 Å²	95	31.4 Å²	31.4	62%	0.617	20%	0.203	S	C	*	.			trans	-58.1	138.6	175.2	-20.4	33.4	0	0	0	110.6	V172 L173 S175	V172-P199 HydrophobicContact CG1-CB 3.74Å; L173-P199 VanDerWaalsContact O-CA 3.29Å; L173-P199 WeakPolarHBondContact O-CA 3.4Å; S175-P199 WeakPolarHBondContact OG-CD 3.46Å; S175-P199 WeakPolarHBondContact OG-CG 3.48Å
200	A	88.8	Confident	91.2	Very high	14 Å²	14	31.8 Å²	31.8	12%	0.116	20%	0.2	C	C	.	.	B	Isolated β-bridge	trans	-137.4	146.7	-176.7	0	0	0	0	0	112.5	T99 L173 G198	T99-A200 HydrophobicContact CG2-CB 4.34Å; L173-A200 WeakPolarHBondContact CB-O 3.46Å; L173-A200 PolarHBondContact N-O 3.09Å; L173-A200 PolarHBondContact O-N 3.47Å; L173-A200 VanDerWaalsContact O-N 3.15Å; G198-A200 PolarHBondContact O-N 2.97Å
201	T	91.9	Very high	91.4	Very high	57 Å²	57	28.5 Å²	28.5	35%	0.35	18%	0.177	S	C	.	.			trans	-88.7	135.2	171.5	-55.9	0	0	0	0	108.8	T99 R112 D203	T99-T201 WeakPolarHBondContact CB-O 3.35Å; R112-T201 VanDerWaalsContact NH1-CG2 3.25Å; T201-D203 PolarHBondContact O-N 3.07Å
202	V	92.4	Very high	91.3	Very high	2 Å²	2	34.3 Å²	34.3	1%	0.012	20%	0.203	C	C	.	.			trans	-74.4	125.6	172.9	179.6	0	0	0	0	109.5	L101 I169 C170 L173 V204	L101-V202 HydrophobicContact CB-CB 4.45Å; L101-V202 HydrophobicContact CB-CG1 3.61Å; L101-V202 HydrophobicContact CB-CG2 3.92Å; L101-V202 HydrophobicContact CD2-CG2 4.15Å; I169-V202 HydrophobicContact CB-CB 4.49Å; I169-V202 HydrophobicContact CB-CG1 4.4Å; I169-V202 HydrophobicContact CD1-CG1 4.07Å; I169-V202 HydrophobicContact CG2-CB 4.39Å; I169-V202 HydrophobicContact CG2-CG1 4Å; C170-V202 WeakPolarHBondContact SG-CG2 3.49Å; L173-V202 HydrophobicContact CD1-CG2 3.41Å; L173-V202 VanDerWaalsContact CD1-CG2 3.41Å; L173-V202 HydrophobicContact CD2-CG2 4.17Å; L173-V202 HydrophobicContact CG-CG2 3.69Å; V202-V204 VanDerWaalsContact CG1-O 3.28Å; V202-V204 WeakPolarHBondContact CG1-O 3.4Å
203	D	95.7	Very high	91.4	Very high	15 Å²	15	38.6 Å²	38.6	8%	0.08	23%	0.226	C	C	.	.			trans	-96.7	-31.9	179.9	-57.5	-57.2	0	0	0	111.5	V98 T99 I111 R112 I115 I169 T201	V98-D203 WeakPolarHBondContact CA-OD2 3.48Å; V98-D203 HydrophobicContact CB-CB 3.81Å; V98-D203 HydrophobicContact CG1-CB 3.9Å; T99-D203 PolarHBondContact N-OD2 3.08Å; T99-D203 PolarHBondContact O-N 2.9Å; I111-D203 WeakPolarHBondContact CA-O 3.28Å; R112-D203 IonicContact CZ-OD1 3.7Å; R112-D203 PolarHBondContact N-O 2.83Å; R112-D203 IonicContact NH1-OD1 2.73Å; R112-D203 PolarHBondContact NH1-OD1 2.86Å; R112-D203 IonicContact NH2-OD1 2.68Å; R112-D203 PolarHBondContact NH2-OD1 3.36Å; I115-D203 HydrophobicContact CG1-CB 4.32Å; I169-D203 WeakPolarHBondContact CD1-O 3.4Å; T201-D203 PolarHBondContact O-N 3.07Å
204	V	95.4	Very high	91.4	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	129.7	179.7	-179.4	0	0	0	0	110.1	L88 V98 T99 V100 L101 F110 I111 F148 V202 I206	L88-V204 HydrophobicContact CD1-CG2 4.22Å; V98-V204 HydrophobicContact CB-CG2 4.35Å; V98-V204 HydrophobicContact CG1-CG2 4.46Å; V98-V204 HydrophobicContact CG2-CG2 4.38Å; T99-V204 PolarHBondContact O-N 2.84Å; V100-V204 CarbonylContact C-O 3.59Å; V100-V204 WeakPolarHBondContact CA-O 3.07Å; V100-V204 HydrophobicContact CG2-CB 4.43Å; L101-V204 PolarHBondContact N-O 2.9Å; F110-V204 CarbonylContact O-C 3.56Å; F110-V204 WeakPolarHBondContact O-CA 3.4Å; I111-V204 HydrophobicContact CD1-CG2 4.35Å; I111-V204 HydrophobicContact CG1-CG2 4.17Å; F148-V204 HydrophobicContact CE2-CG1 4.22Å; F148-V204 HydrophobicContact CE2-CG2 4.45Å; F148-V204 HydrophobicContact CZ-CG1 3.84Å; F148-V204 HydrophobicContact CZ-CG2 4.22Å; V202-V204 VanDerWaalsContact CG1-O 3.28Å; V202-V204 WeakPolarHBondContact CG1-O 3.4Å; V204-I206 HydrophobicContact CG1-CD1 3.74Å; V204-I206 HydrophobicContact CG1-CG1 4.2Å
205	L	94.1	Very high	91.5	Very high	7 Å²	7	38.6 Å²	38.6	4%	0.037	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	116.9	167.4	-168.2	76.1	0	0	0	108.2	L101 D103 S109 F110 I169	L101-L205 HydrophobicContact CB-CD1 3.85Å; L101-L205 HydrophobicContact CD2-CD1 3.7Å; L101-L205 HydrophobicContact CG-CD1 3.73Å; L101-L205 CarbonylContact O-C 3.54Å; L101-L205 WeakPolarHBondContact O-CA 3.46Å; D103-L205 HydrophobicContact CB-CD1 3.68Å; D103-L205 HydrophobicContact CB-CD2 4.45Å; D103-L205 HydrophobicContact CB-CG 4.23Å; S109-L205 CarbonylContact C-O 3.23Å; S109-L205 WeakPolarHBondContact CA-O 3.42Å; S109-L205 VanDerWaalsContact CB-O 3.24Å; S109-L205 WeakPolarHBondContact CB-O 3.3Å; S109-L205 PolarHBondContact OG-O 3.05Å; F110-L205 HydrophobicContact CB-CB 4.15Å; F110-L205 HydrophobicContact CD2-CB 4.48Å; F110-L205 HydrophobicContact CD2-CD2 3.81Å; F110-L205 HydrophobicContact CE2-CD2 4.43Å; F110-L205 PolarHBondContact N-O 2.83Å; F110-L205 PolarHBondContact O-N 2.83Å; I169-L205 HydrophobicContact CD1-CB 4.33Å; I169-L205 HydrophobicContact CG2-CB 3.84Å; I169-L205 HydrophobicContact CG2-CD1 4.21Å; I169-L205 HydrophobicContact CG2-CG 4.42Å
206	I	94.9	Very high	91.4	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	120.3	169.5	-62.9	-55.2	0	0	0	107.9	V100 L101 L102 D103 L150 V161 V204 F214	V100-I206 HydrophobicContact CG1-CB 4.49Å; V100-I206 HydrophobicContact CG1-CG1 3.67Å; L101-I206 PolarHBondContact O-N 2.81Å; L102-I206 WeakPolarHBondContact CA-O 3.25Å; L102-I206 HydrophobicContact CD2-CB 4.13Å; L102-I206 HydrophobicContact CD2-CG2 4.06Å; L102-I206 HydrophobicContact CG-CB 4.41Å; D103-I206 PolarHBondContact N-O 2.84Å; L150-I206 HydrophobicContact CD2-CD1 4.19Å; L150-I206 HydrophobicContact CD2-CG1 4.24Å; V161-I206 HydrophobicContact CB-CD1 4.46Å; V161-I206 HydrophobicContact CG1-CD1 3.82Å; V161-I206 HydrophobicContact CG2-CD1 3.92Å; V204-I206 HydrophobicContact CG1-CD1 3.74Å; V204-I206 HydrophobicContact CG1-CG1 4.2Å; I206-F214 HydrophobicContact CB-CD2 4.47Å; I206-F214 HydrophobicContact CB-CE2 4.41Å; I206-F214 HydrophobicContact CD1-CE2 3.76Å; I206-F214 HydrophobicContact CD1-CZ 4.01Å; I206-F214 HydrophobicContact CG1-CD2 4.31Å; I206-F214 HydrophobicContact CG1-CE2 3.88Å; I206-F214 HydrophobicContact CG1-CZ 4.21Å; I206-F214 HydrophobicContact CG2-CD2 3.48Å; I206-F214 VanDerWaalsContact CG2-CD2 3.48Å; I206-F214 HydrophobicContact CG2-CE2 3.65Å; I206-F214 HydrophobicContact CG2-CG 4.42Å
207	S	90.8	Very high	91.2	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	26%	0.258	C	S	.	.			trans	-108.7	-175.6	-170.3	-158.3	0	0	0	0	112.9	D103 S106 Q107 R108 S109 D209 Y210 Y211	D103-S207 VanDerWaalsContact O-CA 3.28Å; D103-S207 WeakPolarHBondContact O-CA 3.42Å; D103-S207 PolarHBondContact O-OG 3.35Å; S106-S207 VanDerWaalsContact CA-OG 3.27Å; S106-S207 WeakPolarHBondContact CA-OG 3.49Å; S106-S207 WeakPolarHBondContact CB-OG 3.1Å; S106-S207 PolarHBondContact O-OG 3.29Å; Q107-S207 PolarHBondContact N-OG 3.4Å; R108-S207 WeakPolarHBondContact O-CB 3.45Å; R108-S207 PolarHBondContact O-OG 2.65Å; S109-S207 PolarHBondContact OG-N 3.31Å; S207-D209 VanDerWaalsContact C-OD1 3.27Å; S207-D209 VanDerWaalsContact CB-OD1 3.29Å; S207-D209 WeakPolarHBondContact CB-OD1 3.47Å; S207-D209 PolarHBondContact O-N 3.42Å; S207-Y210 PolarHBondContact O-N 3Å; S207-Y211 WeakPolarHBondContact O-CA 3.29Å; S207-Y211 WeakPolarHBondContact O-CB 3.38Å; S207-Y211 PolarHBondContact O-N 3.38Å
208	A	88	Confident	91.2	Very high	47 Å²	47	48.7 Å²	48.7	39%	0.388	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-23.3	-176.9	0	0	0	0	0	113.6	S106 Y210	S106-A208 WeakPolarHBondContact O-CB 3.29Å; S106-A208 PolarHBondContact O-N 3.36Å; A208-Y210 VanDerWaalsContact C-N 3.33Å; A208-Y210 PolarHBondContact O-N 3.11Å
209	D	91.1	Very high	91.3	Very high	52 Å²	52	50.5 Å²	50.5	28%	0.278	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-31.1	174.9	58.6	-14.5	0	0	0	114	R108 S109 S207	R108-D209 WeakPolarHBondContact CA-OD2 3.28Å; S109-D209 PolarHBondContact N-OD1 2.83Å; S109-D209 PolarHBondContact N-OD2 3.39Å; S109-D209 PolarHBondContact OG-OD1 2.95Å; S109-D209 PolarHBondContact OG-OD2 2.86Å; S207-D209 VanDerWaalsContact C-OD1 3.27Å; S207-D209 VanDerWaalsContact CB-OD1 3.29Å; S207-D209 WeakPolarHBondContact CB-OD1 3.47Å; S207-D209 PolarHBondContact O-N 3.42Å
210	Y	93.8	Very high	91.5	Very high	48 Å²	48	48 Å²	48	19%	0.188	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-127.7	-8.3	179.9	-68.8	-79	0	0	0	114	S109 V160 V161 S162 S207 A208 H212 D213 F214	S109-Y210 WeakPolarHBondContact OG-CD2 3.12Å; V160-Y210 WeakPolarHBondContact O-CE1 3.2Å; V161-Y210 HydrophobicContact CG1-CD2 3.79Å; V161-Y210 HydrophobicContact CG1-CE2 3.96Å; V161-Y210 HydrophobicContact CG1-CG 4.18Å; V161-Y210 HydrophobicContact CG2-CD1 4.41Å; V161-Y210 HydrophobicContact CG2-CG 4.38Å; S162-Y210 WeakPolarHBondContact CB-OH 3.32Å; S162-Y210 PolarHBondContact N-OH 3.43Å; S162-Y210 VanDerWaalsContact N-OH 3.12Å; S162-Y210 WeakPolarHBondContact O-CE2 3.43Å; S207-Y210 PolarHBondContact O-N 3Å; A208-Y210 VanDerWaalsContact C-N 3.33Å; A208-Y210 PolarHBondContact O-N 3.11Å; Y210-H212 VanDerWaalsContact C-N 3.26Å; Y210-H212 PolarHBondContact O-N 3.24Å; Y210-H212 VanDerWaalsContact O-N 3.15Å; Y210-D213 WeakPolarHBondContact CD1-OD2 3.42Å; Y210-D213 VanDerWaalsContact O-CB 3.3Å; Y210-D213 WeakPolarHBondContact O-CB 3.37Å; Y210-D213 PolarHBondContact O-N 3.35Å; Y210-F214 VanDerWaalsContact O-CD2 3.29Å; Y210-F214 WeakPolarHBondContact O-CD2 3.44Å; Y210-F214 PolarHBondContact O-N 3.12Å
211	Y	93.3	Very high	91.5	Very high	30 Å²	30	55.7 Å²	55.7	12%	0.118	27%	0.271	C	S	.	.	H	α-helix	trans	-52.5	-43.9	-172.6	177.3	-88.6	0	0	0	112.3	Q82 L102 V104 S207 D213 F214 M215	Q82-Y211 PolarHBondContact NE2-OH 2.85Å; Q82-Y211 VanDerWaalsContact NE2-OH 3.09Å; Q82-Y211 PolarHBondContact OE1-OH 3.28Å; L102-Y211 HydrophobicContact CB-CD2 3.93Å; L102-Y211 HydrophobicContact CB-CE2 3.87Å; L102-Y211 HydrophobicContact CD2-CD2 4.35Å; V104-Y211 HydrophobicContact CG1-CD1 3.46Å; V104-Y211 VanDerWaalsContact CG1-CD1 3.46Å; V104-Y211 HydrophobicContact CG1-CD2 3.45Å; V104-Y211 VanDerWaalsContact CG1-CD2 3.45Å; V104-Y211 HydrophobicContact CG1-CE1 3.62Å; V104-Y211 HydrophobicContact CG1-CE2 3.6Å; V104-Y211 HydrophobicContact CG1-CG 3.38Å; S207-Y211 WeakPolarHBondContact O-CA 3.29Å; S207-Y211 WeakPolarHBondContact O-CB 3.38Å; S207-Y211 PolarHBondContact O-N 3.38Å; Y211-D213 VanDerWaalsContact C-N 3.28Å; Y211-D213 PolarHBondContact O-N 3.14Å; Y211-F214 PolarHBondContact O-N 2.84Å; Y211-M215 HydrophobicContact CD1-CG 3.89Å; Y211-M215 HydrophobicContact CD2-CE 4.3Å; Y211-M215 HydrophobicContact CE1-CE 4.34Å; Y211-M215 HydrophobicContact CE1-CG 3.48Å; Y211-M215 VanDerWaalsContact CE1-CG 3.48Å; Y211-M215 HydrophobicContact CE1-SD 4.3Å; Y211-M215 HydrophobicContact CE2-CE 3.7Å; Y211-M215 HydrophobicContact CE2-CG 4.48Å; Y211-M215 WeakPolarHBondContact O-CG 3.46Å; Y211-M215 PolarHBondContact O-N 2.81Å
212	H	90.7	Very high	91	Very high	141 Å²	141	54.3 Å²	54.3	65%	0.653	27%	0.269	S	S	*	.	H	α-helix	trans	-71.9	-18.4	-179.7	-66.8	-67.6	0	0	0	113.8	Y210 F214	Y210-H212 VanDerWaalsContact C-N 3.26Å; Y210-H212 PolarHBondContact O-N 3.24Å; Y210-H212 VanDerWaalsContact O-N 3.15Å; H212-F214 VanDerWaalsContact C-N 3.29Å
213	D	91.8	Very high	90.6	Very high	91 Å²	91	61.6 Å²	61.6	49%	0.487	30%	0.302	S	S	.	.	H	α-helix	trans	-75.9	-21.3	173.5	-60.2	-16.9	0	0	0	112.1	T159 Y210 Y211	T159-D213 HydrophobicContact CG2-CB 3.97Å; Y210-D213 WeakPolarHBondContact CD1-OD2 3.42Å; Y210-D213 VanDerWaalsContact O-CB 3.3Å; Y210-D213 WeakPolarHBondContact O-CB 3.37Å; Y210-D213 PolarHBondContact O-N 3.35Å; Y211-D213 VanDerWaalsContact C-N 3.28Å; Y211-D213 PolarHBondContact O-N 3.14Å
214	F	92.1	Very high	89.8	Confident	0 Å²	0	67.6 Å²	67.6	0%	0	34%	0.339	C	S	.	.	H	α-helix	trans	-90.9	-33.5	175.8	-71.8	-86.5	0	0	0	112.4	L102 L150 T159 V161 I206 Y210 Y211 H212 S232 T233 L234	L102-F214 HydrophobicContact CD2-CB 3.95Å; L102-F214 HydrophobicContact CD2-CG 4.31Å; L150-F214 HydrophobicContact CB-CE1 4.19Å; L150-F214 HydrophobicContact CB-CZ 4.15Å; L150-F214 HydrophobicContact CD2-CE1 3.73Å; L150-F214 HydrophobicContact CD2-CZ 3.76Å; L150-F214 HydrophobicContact CG-CE1 4.22Å; L150-F214 HydrophobicContact CG-CZ 4.44Å; T159-F214 HydrophobicContact CG2-CE1 4.41Å; T159-F214 HydrophobicContact CG2-CE2 4.01Å; T159-F214 HydrophobicContact CG2-CZ 3.89Å; V161-F214 HydrophobicContact CG2-CE2 3.75Å; V161-F214 HydrophobicContact CG2-CZ 3.59Å; I206-F214 HydrophobicContact CB-CD2 4.47Å; I206-F214 HydrophobicContact CB-CE2 4.41Å; I206-F214 HydrophobicContact CD1-CE2 3.76Å; I206-F214 HydrophobicContact CD1-CZ 4.01Å; I206-F214 HydrophobicContact CG1-CD2 4.31Å; I206-F214 HydrophobicContact CG1-CE2 3.88Å; I206-F214 HydrophobicContact CG1-CZ 4.21Å; I206-F214 HydrophobicContact CG2-CD2 3.48Å; I206-F214 VanDerWaalsContact CG2-CD2 3.48Å; I206-F214 HydrophobicContact CG2-CE2 3.65Å; I206-F214 HydrophobicContact CG2-CG 4.42Å; Y210-F214 VanDerWaalsContact O-CD2 3.29Å; Y210-F214 WeakPolarHBondContact O-CD2 3.44Å; Y210-F214 PolarHBondContact O-N 3.12Å; Y211-F214 PolarHBondContact O-N 2.84Å; H212-F214 VanDerWaalsContact C-N 3.29Å; F214-S232 CarbonylContact O-C 3.54Å; F214-S232 WeakPolarHBondContact O-CA 3.27Å; F214-S232 WeakPolarHBondContact O-CB 3Å; F214-T233 WeakPolarHBondContact CD1-OG1 2.97Å; F214-T233 PolarHBondContact O-N 3.4Å; F214-T233 PolarHBondContact O-OG1 2.95Å; F214-L234 HydrophobicContact CD1-CD1 3.9Å; F214-L234 HydrophobicContact CD1-CD2 4.16Å; F214-L234 HydrophobicContact CD1-CG 3.8Å; F214-L234 HydrophobicContact CE1-CD1 4.19Å; F214-L234 HydrophobicContact CE1-CD2 4.08Å; F214-L234 HydrophobicContact CE1-CG 4.19Å
215	M	91.6	Very high	88.9	Confident	31 Å²	31	68.1 Å²	68.1	15%	0.153	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	140.6	-177	-65.8	-65.1	141.6	0	0	112.1	L102 Y211 V230	L102-M215 HydrophobicContact CB-CE 4.39Å; L102-M215 HydrophobicContact CD1-CE 4.34Å; L102-M215 HydrophobicContact CD2-CE 3.68Å; L102-M215 HydrophobicContact CG-CE 4.35Å; Y211-M215 HydrophobicContact CD1-CG 3.89Å; Y211-M215 HydrophobicContact CD2-CE 4.3Å; Y211-M215 HydrophobicContact CE1-CE 4.34Å; Y211-M215 HydrophobicContact CE1-CG 3.48Å; Y211-M215 VanDerWaalsContact CE1-CG 3.48Å; Y211-M215 HydrophobicContact CE1-SD 4.3Å; Y211-M215 HydrophobicContact CE2-CE 3.7Å; Y211-M215 HydrophobicContact CE2-CG 4.48Å; Y211-M215 WeakPolarHBondContact O-CG 3.46Å; Y211-M215 PolarHBondContact O-N 2.81Å; M215-V230 HydrophobicContact SD-CB 4.43Å; M215-V230 HydrophobicContact SD-CG1 3.82Å
216	K	89.6	Confident	88.5	Confident	109 Å²	109	69.1 Å²	69.1	47%	0.474	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	163.9	175.3	-67.6	-174.1	177	-177.6	0	110.7	G218 Q231	K216-G218 PolarHBondContact O-N 2.85Å; K216-G218 VanDerWaalsContact O-N 3.07Å; K216-Q231 HydrophobicContact CB-CB 4.13Å; K216-Q231 HydrophobicContact CB-CG 4.14Å; K216-Q231 HydrophobicContact CD-CG 4.46Å; K216-Q231 PolarHBondContact N-O 2.94Å
217	F	84.3	Confident	88.1	Confident	214 Å²	214	69.1 Å²	69.1	94%	0.939	35%	0.349	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.5	102.2	170.3	-74.3	-81.3	0	0	0	110.4	Q231	F217-Q231 PolarHBondContact O-OE1 3.2Å; F217-Q231 VanDerWaalsContact O-OE1 3.05Å
218	G	88.3	Confident	88.1	Confident	27 Å²	27	71.5 Å²	71.5	28%	0.278	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	168.9	134.5	173.6	0	0	0	0	0	111.5	K216 Q231	K216-G218 PolarHBondContact O-N 2.85Å; K216-G218 VanDerWaalsContact O-N 3.07Å; G218-Q231 PolarHBondContact O-N 2.93Å
219	Q	91.5	Very high	88.3	Confident	81 Å²	81	69.3 Å²	69.3	38%	0.379	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	130.3	175.6	-167.9	178.7	15.1	0	0	110.3	R221 I228 A229 V230	Q219-R221 HydrophobicContact CG-CG 3.96Å; Q219-R221 VanDerWaalsContact NE2-NE 3.13Å; Q219-R221 VanDerWaalsContact OE1-CZ 3.25Å; Q219-I228 VanDerWaalsContact NE2-CD1 3.27Å; Q219-A229 CarbonylContact C-O 3.54Å; Q219-A229 WeakPolarHBondContact CA-O 3.45Å; Q219-A229 WeakPolarHBondContact CG-O 3.34Å; Q219-V230 HydrophobicContact CG-CG2 4.44Å
220	L	91.1	Very high	88.4	Confident	42 Å²	42	68.2 Å²	68.2	22%	0.22	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	120.8	170.4	-61.6	165.4	0	0	0	107.5	H185 L186 V189 I228 A229 W236	H185-L220 WeakPolarHBondContact O-CD1 3.02Å; L186-L220 HydrophobicContact CD2-CB 4.27Å; L186-L220 HydrophobicContact CD2-CD1 4.4Å; V189-L220 HydrophobicContact CB-CD1 4.42Å; V189-L220 HydrophobicContact CG1-CD1 3.85Å; V189-L220 HydrophobicContact CG2-CD1 4.32Å; L220-I228 WeakPolarHBondContact O-CA 3.32Å; L220-A229 HydrophobicContact CB-CB 4.38Å; L220-A229 PolarHBondContact N-O 3.08Å; L220-A229 PolarHBondContact O-N 2.95Å; L220-W236 HydrophobicContact CB-CZ3 4.31Å; L220-W236 HydrophobicContact CD1-CD2 3.59Å; L220-W236 HydrophobicContact CD1-CE3 3.49Å; L220-W236 VanDerWaalsContact CD1-CE3 3.49Å; L220-W236 HydrophobicContact CD1-CG 4.27Å; L220-W236 HydrophobicContact CD1-CH2 3.88Å; L220-W236 HydrophobicContact CD1-CZ2 3.97Å; L220-W236 HydrophobicContact CD1-CZ3 3.65Å; L220-W236 HydrophobicContact CD2-CH2 4.18Å; L220-W236 HydrophobicContact CD2-CZ3 4.44Å; L220-W236 HydrophobicContact CG-CD2 4.35Å; L220-W236 HydrophobicContact CG-CE3 3.81Å; L220-W236 HydrophobicContact CG-CH2 3.65Å; L220-W236 HydrophobicContact CG-CZ2 4.2Å; L220-W236 HydrophobicContact CG-CZ3 3.45Å; L220-W236 VanDerWaalsContact CG-CZ3 3.45Å
221	R	88	Confident	88.3	Confident	175 Å²	175	68.9 Å²	68.9	66%	0.66	34%	0.343	S	S	*	.			trans	-120.8	129.4	176.7	-63.4	-171	-179.2	-164.5	-0.5	108.8	Q219 I228	Q219-R221 HydrophobicContact CG-CG 3.96Å; Q219-R221 VanDerWaalsContact NE2-NE 3.13Å; Q219-R221 VanDerWaalsContact OE1-CZ 3.25Å; R221-I228 HydrophobicContact CB-CG2 4.44Å; R221-I228 HydrophobicContact CG-CG2 3.99Å
222	G	83.5	Confident	88.3	Confident	29 Å²	29	67.8 Å²	67.8	30%	0.299	34%	0.34	S	S	.	.			trans	-85.5	-161.2	167.3	0	0	0	0	0	111.7	H185 Q226	H185-G222 PolarHBondContact CD2-N 3.43Å; H185-G222 VanDerWaalsContact CE1-CA 3.42Å; H185-G222 WeakPolarHBondContact CE1-CA 3.28Å; H185-G222 WeakPolarHBondContact ND1-CA 3.47Å; H185-G222 PolarHBondContact NE2-N 3.06Å; G222-Q226 VanDerWaalsContact CA-OE1 3.23Å
223	Q	83.9	Confident	88.3	Confident	154 Å²	154	63 Å²	63	72%	0.72	32%	0.32	S	S	*	.	S	Bend	trans	-65.8	164.6	170.6	-62.5	-176.2	1.9	0	0	111.4	G225 Q226	Q223-G225 PolarHBondContact O-N 3.35Å; Q223-Q226 HydrophobicContact CB-CG 4.35Å; Q223-Q226 WeakPolarHBondContact O-CB 3.06Å; Q223-Q226 PolarHBondContact O-N 3.42Å
224	V	78.9	Confident	88.2	Confident	141 Å²	141	58.8 Å²	58.8	86%	0.855	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.6	131.4	174.1	-179.7	0	0	0	0	109.2
225	G	76.4	Confident	88.2	Confident	11 Å²	11	59.6 Å²	59.6	11%	0.113	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	88.4	-1.2	-177.4	0	0	0	0	0	114.9	Q223 S242 E243	Q223-G225 PolarHBondContact O-N 3.35Å; G225-S242 CarbonylContact O-C 3.51Å; G225-S242 VanDerWaalsContact O-CA 3.23Å; G225-S242 WeakPolarHBondContact O-CA 3.34Å; G225-E243 PolarHBondContact O-N 3.01Å
226	Q	85.2	Confident	88.3	Confident	29 Å²	29	60.3 Å²	60.3	14%	0.136	31%	0.307	C	S	.	.	S	Bend	trans	-97	151.8	171	-58.6	-175.2	-26.2	0	0	111.6	E182 G222 Q223 K241	E182-Q226 PolarHBondContact O-NE2 2.61Å; G222-Q226 VanDerWaalsContact CA-OE1 3.23Å; Q223-Q226 HydrophobicContact CB-CG 4.35Å; Q223-Q226 WeakPolarHBondContact O-CB 3.06Å; Q223-Q226 PolarHBondContact O-N 3.42Å; Q226-K241 CarbonylContact C-O 3.58Å
227	A	86	Confident	88.4	Confident	0 Å²	0	55.1 Å²	55.1	0%	0	28%	0.284	C	S	.	.	P	Polyproline II helix	trans	-62.2	148.5	176.7	0	0	0	0	0	111.4	F80 W183 H185 L186 V238	F80-A227 HydrophobicContact CD2-CB 3.86Å; F80-A227 HydrophobicContact CE2-CB 4.04Å; W183-A227 HydrophobicContact CH2-CB 4.06Å; W183-A227 HydrophobicContact CZ2-CB 4.16Å; W183-A227 HydrophobicContact CZ3-CB 4.25Å; H185-A227 PolarHBondContact NE2-O 2.91Å; L186-A227 HydrophobicContact CD1-CB 4.49Å; A227-V238 HydrophobicContact CB-CG1 3.91Å
228	I	90.8	Very high	88.8	Confident	50 Å²	50	45 Å²	45	26%	0.256	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	159.5	173.2	60.2	163.7	0	0	0	109.5	Q219 L220 R221 V238 G239	Q219-I228 VanDerWaalsContact NE2-CD1 3.27Å; L220-I228 WeakPolarHBondContact O-CA 3.32Å; R221-I228 HydrophobicContact CB-CG2 4.44Å; R221-I228 HydrophobicContact CG-CG2 3.99Å; I228-V238 CarbonylContact O-C 3.55Å; I228-V238 WeakPolarHBondContact O-CA 3.44Å; I228-G239 WeakPolarHBondContact CG1-O 3.4Å; I228-G239 PolarHBondContact N-O 3.42Å; I228-G239 PolarHBondContact O-N 3.02Å; I228-G239 VanDerWaalsContact O-O 3.09Å
229	A	92.3	Very high	88.8	Confident	0 Å²	0	44 Å²	44	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	140.7	164.8	0	0	0	0	0	111	L186 Q219 L220 W236 I237	L186-A229 HydrophobicContact CD2-CB 3.45Å; L186-A229 VanDerWaalsContact CD2-CB 3.45Å; Q219-A229 CarbonylContact C-O 3.54Å; Q219-A229 WeakPolarHBondContact CA-O 3.45Å; Q219-A229 WeakPolarHBondContact CG-O 3.34Å; L220-A229 HydrophobicContact CB-CB 4.38Å; L220-A229 PolarHBondContact N-O 3.08Å; L220-A229 PolarHBondContact O-N 2.95Å; A229-W236 HydrophobicContact CB-CB 4.29Å; A229-W236 HydrophobicContact CB-CE3 4.14Å; A229-I237 CarbonylContact C-O 3.47Å; A229-I237 WeakPolarHBondContact CA-O 3.33Å
230	V	92.9	Very high	88.3	Confident	29 Å²	29	41.6 Å²	41.6	18%	0.176	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	137.9	176.3	-175.3	0	0	0	0	108.4	M215 Q219 I237	M215-V230 HydrophobicContact SD-CB 4.43Å; M215-V230 HydrophobicContact SD-CG1 3.82Å; Q219-V230 HydrophobicContact CG-CG2 4.44Å; V230-I237 PolarHBondContact N-O 3.04Å; V230-I237 PolarHBondContact O-N 2.86Å
231	Q	93	Very high	87.8	Confident	62 Å²	62	44.6 Å²	44.6	29%	0.29	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	135.9	179.2	-160.5	178.2	20.2	0	0	110	K216 F217 G218 W236	K216-Q231 HydrophobicContact CB-CB 4.13Å; K216-Q231 HydrophobicContact CB-CG 4.14Å; K216-Q231 HydrophobicContact CD-CG 4.46Å; K216-Q231 PolarHBondContact N-O 2.94Å; F217-Q231 PolarHBondContact O-OE1 3.2Å; F217-Q231 VanDerWaalsContact O-OE1 3.05Å; G218-Q231 PolarHBondContact O-N 2.93Å; Q231-W236 HydrophobicContact CB-CD2 4.3Å; Q231-W236 HydrophobicContact CB-CE3 3.95Å; Q231-W236 HydrophobicContact CB-CH2 3.78Å; Q231-W236 HydrophobicContact CB-CZ2 4.14Å; Q231-W236 HydrophobicContact CB-CZ3 3.66Å; Q231-W236 HydrophobicContact CG-CD2 4.31Å; Q231-W236 HydrophobicContact CG-CE3 4.46Å; Q231-W236 HydrophobicContact CG-CH2 4.13Å; Q231-W236 HydrophobicContact CG-CZ2 3.97Å; Q231-W236 HydrophobicContact CG-CZ3 4.36Å
232	S	92.1	Very high	87.2	Confident	7 Å²	7	36.3 Å²	36.3	5%	0.049	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	172.5	175.1	82.2	0	0	0	0	111.8	F214 L234 G235 I237	F214-S232 CarbonylContact O-C 3.54Å; F214-S232 WeakPolarHBondContact O-CA 3.27Å; F214-S232 WeakPolarHBondContact O-CB 3Å; S232-L234 PolarHBondContact O-N 3.31Å; S232-L234 PolarHBondContact OG-N 3.3Å; S232-G235 WeakPolarHBondContact CB-O 3.12Å; S232-G235 PolarHBondContact N-O 3.47Å; S232-G235 VanDerWaalsContact N-O 3.11Å; S232-G235 PolarHBondContact O-N 2.86Å; S232-G235 PolarHBondContact OG-N 3.49Å; S232-G235 PolarHBondContact OG-O 2.71Å; S232-I237 WeakPolarHBondContact OG-CD1 3.2Å; S232-I237 VanDerWaalsContact OG-CG1 3.27Å; S232-I237 WeakPolarHBondContact OG-CG1 3.29Å
233	T	90.6	Very high	86.5	Confident	40 Å²	40	40.2 Å²	40.2	25%	0.245	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-16.4	168.8	57.2	0	0	0	0	113	F214	F214-T233 WeakPolarHBondContact CD1-OG1 2.97Å; F214-T233 PolarHBondContact O-N 3.4Å; F214-T233 PolarHBondContact O-OG1 2.95Å
234	L	91.1	Very high	85.4	Confident	4 Å²	4	33.7 Å²	33.7	2%	0.021	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.3	-7.4	178.1	-57.3	178	0	0	0	113.8	A84 V100 L150 G192 F214 S232 I237	A84-L234 HydrophobicContact CB-CB 3.81Å; A84-L234 HydrophobicContact CB-CD1 3.77Å; A84-L234 HydrophobicContact CB-CG 4.42Å; V100-L234 HydrophobicContact CB-CD1 4.3Å; V100-L234 HydrophobicContact CG1-CD1 4.09Å; V100-L234 HydrophobicContact CG2-CD1 4.4Å; L150-L234 HydrophobicContact CD2-CD1 4.22Å; L150-L234 HydrophobicContact CD2-CD2 4.36Å; L150-L234 HydrophobicContact CG-CD2 4.13Å; G192-L234 WeakPolarHBondContact CA-O 3.2Å; F214-L234 HydrophobicContact CD1-CD1 3.9Å; F214-L234 HydrophobicContact CD1-CD2 4.16Å; F214-L234 HydrophobicContact CD1-CG 3.8Å; F214-L234 HydrophobicContact CE1-CD1 4.19Å; F214-L234 HydrophobicContact CE1-CD2 4.08Å; F214-L234 HydrophobicContact CE1-CG 4.19Å; S232-L234 PolarHBondContact O-N 3.31Å; S232-L234 PolarHBondContact OG-N 3.3Å; L234-I237 HydrophobicContact CB-CD1 4.39Å
235	G	91	Very high	84.1	Confident	16 Å²	16	32.6 Å²	32.6	17%	0.165	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	122.5	-175.6	-171.7	0	0	0	0	0	111.4	S232 I237	S232-G235 WeakPolarHBondContact CB-O 3.12Å; S232-G235 PolarHBondContact N-O 3.47Å; S232-G235 VanDerWaalsContact N-O 3.11Å; S232-G235 PolarHBondContact O-N 2.86Å; S232-G235 PolarHBondContact OG-N 3.49Å; S232-G235 PolarHBondContact OG-O 2.71Å; G235-I237 PolarHBondContact O-N 3.17Å
236	W	92.9	Very high	83.1	Confident	46 Å²	46	37.6 Å²	37.6	17%	0.174	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	114.1	174	-74.4	95.6	0	0	0	110.3	V189 T190 L191 G192 L220 A229 Q231	V189-W236 HydrophobicContact CB-CG 4.33Å; V189-W236 HydrophobicContact CG2-CB 4.29Å; V189-W236 HydrophobicContact CG2-CG 4.3Å; T190-W236 PolarHBondContact O-N 2.87Å; L191-W236 WeakPolarHBondContact CA-O 3.13Å; L191-W236 HydrophobicContact CD2-CB 4Å; G192-W236 PolarHBondContact N-O 3.36Å; L220-W236 HydrophobicContact CB-CZ3 4.31Å; L220-W236 HydrophobicContact CD1-CD2 3.59Å; L220-W236 HydrophobicContact CD1-CE3 3.49Å; L220-W236 VanDerWaalsContact CD1-CE3 3.49Å; L220-W236 HydrophobicContact CD1-CG 4.27Å; L220-W236 HydrophobicContact CD1-CH2 3.88Å; L220-W236 HydrophobicContact CD1-CZ2 3.97Å; L220-W236 HydrophobicContact CD1-CZ3 3.65Å; L220-W236 HydrophobicContact CD2-CH2 4.18Å; L220-W236 HydrophobicContact CD2-CZ3 4.44Å; L220-W236 HydrophobicContact CG-CD2 4.35Å; L220-W236 HydrophobicContact CG-CE3 3.81Å; L220-W236 HydrophobicContact CG-CH2 3.65Å; L220-W236 HydrophobicContact CG-CZ2 4.2Å; L220-W236 HydrophobicContact CG-CZ3 3.45Å; L220-W236 VanDerWaalsContact CG-CZ3 3.45Å; A229-W236 HydrophobicContact CB-CB 4.29Å; A229-W236 HydrophobicContact CB-CE3 4.14Å; Q231-W236 HydrophobicContact CB-CD2 4.3Å; Q231-W236 HydrophobicContact CB-CE3 3.95Å; Q231-W236 HydrophobicContact CB-CH2 3.78Å; Q231-W236 HydrophobicContact CB-CZ2 4.14Å; Q231-W236 HydrophobicContact CB-CZ3 3.66Å; Q231-W236 HydrophobicContact CG-CD2 4.31Å; Q231-W236 HydrophobicContact CG-CE3 4.46Å; Q231-W236 HydrophobicContact CG-CH2 4.13Å; Q231-W236 HydrophobicContact CG-CZ2 3.97Å; Q231-W236 HydrophobicContact CG-CZ3 4.36Å
237	I	93	Very high	81.7	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	112	-175.4	-53.6	-59.9	0	0	0	109	Q82 A84 L102 A229 V230 S232 L234 G235	Q82-I237 HydrophobicContact CB-CG2 3.51Å; Q82-I237 HydrophobicContact CG-CG2 3.8Å; A84-I237 HydrophobicContact CB-CD1 3.65Å; L102-I237 HydrophobicContact CD1-CD1 4.07Å; L102-I237 HydrophobicContact CD1-CG1 4.23Å; L102-I237 HydrophobicContact CD1-CG2 4.2Å; A229-I237 CarbonylContact C-O 3.47Å; A229-I237 WeakPolarHBondContact CA-O 3.33Å; V230-I237 PolarHBondContact N-O 3.04Å; V230-I237 PolarHBondContact O-N 2.86Å; S232-I237 WeakPolarHBondContact OG-CD1 3.2Å; S232-I237 VanDerWaalsContact OG-CG1 3.27Å; S232-I237 WeakPolarHBondContact OG-CG1 3.29Å; L234-I237 HydrophobicContact CB-CD1 4.39Å; G235-I237 PolarHBondContact O-N 3.17Å
238	V	91.6	Very high	80.3	Confident	3 Å²	3	43.7 Å²	43.7	2%	0.018	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	136.2	176.3	-176	0	0	0	0	109.1	F80 L186 L191 F195 A227 I228	F80-V238 HydrophobicContact CB-CG1 4.16Å; F80-V238 HydrophobicContact CD2-CG1 4.31Å; F80-V238 HydrophobicContact CG-CG1 4.09Å; L186-V238 HydrophobicContact CD1-CG2 4.41Å; L191-V238 HydrophobicContact CD1-CG2 4.34Å; L191-V238 HydrophobicContact CD2-CG2 3.79Å; F195-V238 HydrophobicContact CD2-CG2 4.44Å; F195-V238 HydrophobicContact CE1-CB 4.44Å; F195-V238 HydrophobicContact CE1-CG1 4.37Å; F195-V238 HydrophobicContact CE1-CG2 4.48Å; F195-V238 HydrophobicContact CE2-CB 4.08Å; F195-V238 HydrophobicContact CE2-CG2 3.71Å; F195-V238 HydrophobicContact CZ-CB 3.68Å; F195-V238 HydrophobicContact CZ-CG1 4.07Å; F195-V238 HydrophobicContact CZ-CG2 3.76Å; A227-V238 HydrophobicContact CB-CG1 3.91Å; I228-V238 CarbonylContact O-C 3.55Å; I228-V238 WeakPolarHBondContact O-CA 3.44Å
239	G	88.6	Confident	78.5	Confident	4 Å²	4	52.1 Å²	52.1	4%	0.041	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156	178.2	177.3	0	0	0	0	0	112.6	F80 I228	F80-G239 WeakPolarHBondContact O-CA 2.82Å; I228-G239 WeakPolarHBondContact CG1-O 3.4Å; I228-G239 PolarHBondContact N-O 3.42Å; I228-G239 PolarHBondContact O-N 3.02Å; I228-G239 VanDerWaalsContact O-O 3.09Å
240	G	80.8	Confident	76.8	Confident	32 Å²	32	56.3 Å²	56.3	33%	0.33	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	81.8	-176.1	176.8	0	0	0	0	0	113.6	F80	F80-G240 PolarHBondContact N-O 3.23Å; F80-G240 PolarHBondContact O-N 3.06Å
241	K	80.4	Confident	75.1	Confident	104 Å²	104	60.1 Å²	60.1	45%	0.452	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	145.5	-176.4	66.2	176	-169.5	161.6	0	111.9	E77 R78 V79 Q226	E77-K241 IonicContact OE1-NZ 2.73Å; R78-K241 CarbonylContact O-C 3.51Å; R78-K241 WeakPolarHBondContact O-CA 3.3Å; V79-K241 HydrophobicContact CG2-CB 4.4Å; Q226-K241 CarbonylContact C-O 3.58Å
242	S	76.3	Confident	73.4	Confident	1 Å²	1	59.7 Å²	59.7	1%	0.007	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	137.9	166.4	177.3	0	0	0	0	110.3	E77 R78 W183 G225 T244	E77-S242 WeakPolarHBondContact CA-O 2.78Å; R78-S242 PolarHBondContact N-O 2.89Å; R78-S242 PolarHBondContact O-N 2.76Å; W183-S242 VanDerWaalsContact CZ2-OG 3.3Å; W183-S242 WeakPolarHBondContact CZ2-OG 3.29Å; G225-S242 CarbonylContact O-C 3.51Å; G225-S242 VanDerWaalsContact O-CA 3.23Å; G225-S242 WeakPolarHBondContact O-CA 3.34Å; S242-T244 PolarHBondContact O-N 3.34Å
243	E	68.8	Low	71.6	Confident	112 Å²	112	61.3 Å²	61.3	52%	0.523	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	122	168.7	-67.4	179.2	-167.7	0	0	109	K180 G225	K180-E243 PolarHBondContact NZ-O 3.11Å; G225-E243 PolarHBondContact O-N 3.01Å
244	T	61.2	Low	70.2	Confident	17 Å²	17	61.8 Å²	61.8	10%	0.104	32%	0.323	C	S	.	.			trans	-139.2	138.3	179.8	48.2	0	0	0	0	110.4	K76 R78 S242 I246	K76-T244 PolarHBondContact O-N 3.28Å; R78-T244 HydrophobicContact CB-CG2 4.43Å; R78-T244 WeakPolarHBondContact CB-OG1 3.28Å; S242-T244 PolarHBondContact O-N 3.34Å; T244-I246 PolarHBondContact O-N 2.7Å; T244-I246 PolarHBondContact OG1-O 3.29Å
245	S	52.2	Low	68.7	Low	117 Å²	117	66.4 Å²	66.4	82%	0.818	34%	0.34	S	S	*	.	S	Bend	trans	-65.4	-12.4	167.8	39.8	0	0	0	0	113
246	I	55.3	Low	67.1	Low	117 Å²	117	66.1 Å²	66.1	60%	0.6	34%	0.337	S	S	*	.	S	Bend	trans	-94.9	119.3	177.5	-54.3	175	0	0	0	108.8	T244	T244-I246 PolarHBondContact O-N 2.7Å; T244-I246 PolarHBondContact OG1-O 3.29Å
247	H	55	Low	65.3	Low	111 Å²	111	65 Å²	65	51%	0.514	34%	0.335	S	S	.	.	P	Polyproline II helix	trans	-69.2	128.3	178.8	-64.2	-60	0	0	0	111.5	S75	S75-H247 PolarHBondContact O-ND1 3.11Å
248	Q	56.9	Low	63.5	Low	45 Å²	45	66.2 Å²	66.2	21%	0.21	34%	0.341	C	S	.	.	P	Polyproline II helix	trans	-75.3	121.7	165.4	-171.5	168.7	-5.7	0	0	108.2	R78 E250	R78-Q248 VanDerWaalsContact CA-OE1 3.31Å; R78-Q248 HydrophobicContact CG-CB 4.46Å; Q248-E250 WeakPolarHBondContact CG-O 3.3Å; Q248-E250 PolarHBondContact NE2-O 3.2Å; Q248-E250 VanDerWaalsContact NE2-O 3.11Å
249	R	52.2	Low	61.8	Low	228 Å²	228	71.5 Å²	71.5	86%	0.86	37%	0.365	S	S	*	.			trans	-83	-26.9	-174.3	-76	-177.4	170.5	172.5	-2.5	112.5
250	E	56.2	Low	60.1	Low	87 Å²	87	79.3 Å²	79.3	41%	0.407	40%	0.401	S	S	.	.			trans	-131.2	135.1	-177.5	-47.8	-161.4	147.7	0	0	112.3	F70 Q248	F70-E250 HydrophobicContact CE1-CB 4.05Å; F70-E250 HydrophobicContact CE1-CG 3.78Å; F70-E250 HydrophobicContact CZ-CG 4.45Å; Q248-E250 WeakPolarHBondContact CG-O 3.3Å; Q248-E250 PolarHBondContact NE2-O 3.2Å; Q248-E250 VanDerWaalsContact NE2-O 3.11Å
251	I	58.5	Low	58.7	Low	110 Å²	110	79 Å²	79	56%	0.564	39%	0.391	S	S	*	.			trans	-109.8	122.2	173.2	-57.6	175.1	0	0	0	108.1
252	S	57.2	Low	57.6	Low	52 Å²	52	78.4 Å²	78.4	36%	0.364	39%	0.392	S	S	.	.			trans	-101.1	136.4	180	-63.1	0	0	0	0	111.4
253	A	54.3	Low	56.7	Low	41 Å²	41	79.5 Å²	79.5	34%	0.339	40%	0.398	S	S	.	.			trans	-119.1	126.6	169.1	0	0	0	0	0	109.4	V68 L133	V68-A253 HydrophobicContact CG1-CB 4.23Å; L133-A253 HydrophobicContact CD2-CB 3.91Å
254	L	61	Low	56.2	Low	50 Å²	50	79 Å²	79	26%	0.262	40%	0.396	S	S	.	.			trans	-114.9	127.2	179.3	-62	168.8	0	0	0	108.6	L101 C170	L101-L254 HydrophobicContact CD2-CD1 3.27Å; L101-L254 HydrophobicContact CG-CD1 4.43Å; C170-L254 HydrophobicContact CB-CD2 3.8Å
255	Y	58.9	Low	56	Low	101 Å²	101	83.2 Å²	83.2	40%	0.396	42%	0.417	S	S	.	.			trans	-157.9	126.7	176.2	178.5	-96	0	0	0	107.7	G105 T132 L133 T257	G105-Y255 WeakPolarHBondContact O-CD2 3.29Å; T132-Y255 WeakPolarHBondContact CA-O 3.28Å; L133-Y255 HydrophobicContact CD1-CG 4.38Å; Y255-T257 HydrophobicContact CE1-CG2 3.75Å; Y255-T257 HydrophobicContact CE2-CG2 4.2Å; Y255-T257 VanDerWaalsContact CZ-CG2 3.42Å; Y255-T257 WeakPolarHBondContact OH-CG2 3.47Å
256	A	57.2	Low	56.4	Low	10 Å²	10	79.1 Å²	79.1	8%	0.083	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	115.6	173.9	0	0	0	0	0	109.6	S106 Q107 F110 I130 S131	S106-A256 WeakPolarHBondContact CA-O 3.24Å; S106-A256 PolarHBondContact OG-N 2.9Å; Q107-A256 PolarHBondContact N-O 3.38Å; Q107-A256 VanDerWaalsContact N-O 3.09Å; F110-A256 HydrophobicContact CE2-CB 4.21Å; F110-A256 HydrophobicContact CZ-CB 4.35Å; I130-A256 HydrophobicContact CG2-CB 4.12Å; S131-A256 CarbonylContact O-C 3.56Å; S131-A256 VanDerWaalsContact O-CA 3.27Å; S131-A256 WeakPolarHBondContact O-CA 3.22Å
257	T	55.6	Low	56.5	Low	22 Å²	22	79.9 Å²	79.9	14%	0.135	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	143.6	166.3	43.1	0	0	0	0	110.7	Q107 I129 S131 Y255	Q107-T257 HydrophobicContact CG-CG2 4.38Å; I129-T257 VanDerWaalsContact O-O 3.11Å; S131-T257 VanDerWaalsContact CB-OG1 3.32Å; S131-T257 WeakPolarHBondContact CB-OG1 3.5Å; S131-T257 PolarHBondContact N-O 2.9Å; S131-T257 PolarHBondContact O-N 2.89Å; Y255-T257 HydrophobicContact CE1-CG2 3.75Å; Y255-T257 HydrophobicContact CE2-CG2 4.2Å; Y255-T257 VanDerWaalsContact CZ-CG2 3.42Å; Y255-T257 WeakPolarHBondContact OH-CG2 3.47Å
258	I	55.7	Low	56.4	Low	26 Å²	26	80 Å²	80	13%	0.133	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	113.4	174.3	-57.4	-162.5	0	0	0	109.4	Q107 R108 F110 V128 I129 L164	Q107-I258 VanDerWaalsContact OE1-N 3.1Å; R108-I258 HydrophobicContact CB-CD1 3.73Å; R108-I258 HydrophobicContact CB-CG1 4.46Å; R108-I258 HydrophobicContact CG-CD1 3.81Å; R108-I258 HydrophobicContact CG-CG1 4.39Å; F110-I258 HydrophobicContact CZ-CD1 4.12Å; V128-I258 HydrophobicContact CB-CD1 4.34Å; V128-I258 HydrophobicContact CB-CG2 3.76Å; V128-I258 HydrophobicContact CG1-CD1 4.41Å; V128-I258 HydrophobicContact CG1-CG2 3.78Å; I129-I258 VanDerWaalsContact O-CA 3.29Å; I129-I258 WeakPolarHBondContact O-CA 3.49Å; L164-I258 HydrophobicContact CD1-CD1 3.3Å
259	E	55.1	Low	56.2	Low	114 Å²	114	83.8 Å²	83.8	53%	0.533	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	124.7	172.5	-66.7	178.1	-171.6	0	0	109.4	I129	I129-E259 HydrophobicContact CB-CB 4.3Å; I129-E259 HydrophobicContact CD1-CB 4.42Å; I129-E259 PolarHBondContact O-N 2.96Å
260	Q	52.5	Low	56.5	Low	169 Å²	169	73.7 Å²	73.7	79%	0.79	36%	0.359	S	S	*	.	P	Polyproline II helix	trans	-71.6	140.2	163.8	-76.8	-179.8	-21.8	0	0	108.9	L262	Q260-L262 PolarHBondContact O-N 3.46Å
261	Q	53.3	Low	56.2	Low	26 Å²	26	74.4 Å²	74.4	12%	0.121	36%	0.362	C	S	.	.	P	Polyproline II helix	trans	-58.8	119.9	-168.3	-113.1	-177.8	-32.6	0	0	111.3	D263 E264	Q261-D263 HydrophobicContact CB-CB 3.82Å; Q261-D263 HydrophobicContact CG-CB 3.72Å; Q261-D263 PolarHBondContact NE2-OD2 3.35Å; Q261-D263 PolarHBondContact O-N 2.68Å; Q261-E264 HydrophobicContact CB-CG 4.31Å; Q261-E264 PolarHBondContact O-N 3.09Å
262	L	55.8	Low	55.6	Low	90 Å²	90	70.4 Å²	70.4	47%	0.471	34%	0.342	S	S	.	.	H	α-helix	trans	-46.3	-26.2	157.3	179.5	64.7	0	0	0	111.4	Q260 E264 D265 L266 W637	Q260-L262 PolarHBondContact O-N 3.46Å; L262-E264 VanDerWaalsContact C-N 3.31Å; L262-E264 PolarHBondContact O-N 3.07Å; L262-D265 PolarHBondContact O-N 3.43Å; L262-L266 HydrophobicContact CD1-CD1 4.46Å; L262-L266 HydrophobicContact CD2-CD1 4.39Å; L262-L266 HydrophobicContact CG-CD1 3.85Å; L262-L266 WeakPolarHBondContact O-CD1 3.33Å; L262-L266 WeakPolarHBondContact O-CG 3.03Å; L262-L266 PolarHBondContact O-N 2.66Å; L262-W637 HydrophobicContact CD2-CH2 3.93Å; L262-W637 HydrophobicContact CD2-CZ2 3.54Å; L262-W637 HydrophobicContact CG-CZ2 4.03Å
263	D	57.9	Low	54.6	Low	25 Å²	25	76.3 Å²	76.3	13%	0.134	36%	0.364	C	S	.	.	H	α-helix	trans	-64	-26.4	177.1	-56.9	-2	0	0	0	114.4	Q261 R267 W631 W637	Q261-D263 HydrophobicContact CB-CB 3.82Å; Q261-D263 HydrophobicContact CG-CB 3.72Å; Q261-D263 PolarHBondContact NE2-OD2 3.35Å; Q261-D263 PolarHBondContact O-N 2.68Å; D263-R267 WeakPolarHBondContact O-CB 3.2Å; D263-R267 WeakPolarHBondContact O-CG 3.43Å; D263-R267 PolarHBondContact O-N 2.99Å; D263-W631 HydrophobicContact CB-CH2 3.4Å; D263-W631 VanDerWaalsContact CB-CH2 3.4Å; D263-W631 HydrophobicContact CB-CZ2 3.68Å; D263-W631 VanDerWaalsContact OD1-CH2 3.31Å; D263-W631 WeakPolarHBondContact OD1-CH2 3.37Å; D263-W637 PolarHBondContact OD1-NE1 2.73Å; D263-W637 VanDerWaalsContact OD1-NE1 3.11Å
264	E	58	Low	54.1	Low	102 Å²	102	76.2 Å²	76.2	48%	0.477	36%	0.361	S	S	.	.	H	α-helix	trans	-75.5	-44.7	176.4	-72.4	-173.1	173.3	0	0	111.7	Q261 L262 L266 R267 K268	Q261-E264 HydrophobicContact CB-CG 4.31Å; Q261-E264 PolarHBondContact O-N 3.09Å; L262-E264 VanDerWaalsContact C-N 3.31Å; L262-E264 PolarHBondContact O-N 3.07Å; E264-L266 VanDerWaalsContact C-N 3.27Å; E264-L266 PolarHBondContact O-N 3.24Å; E264-R267 WeakPolarHBondContact O-CB 3.45Å; E264-R267 PolarHBondContact O-N 3.02Å; E264-R267 VanDerWaalsContact O-N 3.12Å; E264-K268 WeakPolarHBondContact O-CG 3.19Å; E264-K268 PolarHBondContact O-N 3.14Å
265	D	56.3	Low	53.4	Low	104 Å²	104	74.5 Å²	74.5	56%	0.556	35%	0.352	S	S	*	.	H	α-helix	trans	-63.4	-36.4	176.6	-69.2	-27.1	0	0	0	111.5	L262 K268 F269	L262-D265 PolarHBondContact O-N 3.43Å; D265-K268 IonicContact OD1-NZ 2.65Å; D265-F269 PolarHBondContact O-N 3.15Å
266	L	61.2	Low	52.5	Low	32 Å²	32	73.2 Å²	73.2	17%	0.168	36%	0.358	C	S	.	.	H	α-helix	trans	-73.2	-29.8	174.4	-69.9	164.6	0	0	0	113.1	L262 E264 F269 F627 W631 W637	L262-L266 HydrophobicContact CD1-CD1 4.46Å; L262-L266 HydrophobicContact CD2-CD1 4.39Å; L262-L266 HydrophobicContact CG-CD1 3.85Å; L262-L266 WeakPolarHBondContact O-CD1 3.33Å; L262-L266 WeakPolarHBondContact O-CG 3.03Å; L262-L266 PolarHBondContact O-N 2.66Å; E264-L266 VanDerWaalsContact C-N 3.27Å; E264-L266 PolarHBondContact O-N 3.24Å; L266-F269 VanDerWaalsContact O-CB 3.25Å; L266-F269 WeakPolarHBondContact O-CB 3.48Å; L266-F269 PolarHBondContact O-N 3.38Å; L266-F627 HydrophobicContact CD1-CZ 4.2Å; L266-F627 HydrophobicContact CD2-CE1 4.22Å; L266-F627 HydrophobicContact CD2-CZ 4.29Å; L266-W631 HydrophobicContact CD1-CZ3 4.33Å; L266-W637 HydrophobicContact CD1-CH2 3.34Å; L266-W637 HydrophobicContact CD1-CZ2 3.3Å
267	R	56.7	Low	52.2	Low	133 Å²	133	75.5 Å²	75.5	50%	0.502	37%	0.368	S	S	.	.	H	α-helix	trans	-68.3	-42.5	171.9	-89.8	179.5	170.7	-175.3	-3	111.8	D263 E264 F269 W270 E271	D263-R267 WeakPolarHBondContact O-CB 3.2Å; D263-R267 WeakPolarHBondContact O-CG 3.43Å; D263-R267 PolarHBondContact O-N 2.99Å; E264-R267 WeakPolarHBondContact O-CB 3.45Å; E264-R267 PolarHBondContact O-N 3.02Å; E264-R267 VanDerWaalsContact O-N 3.12Å; R267-F269 PolarHBondContact O-N 3.2Å; R267-F269 VanDerWaalsContact O-N 3.16Å; R267-W270 WeakPolarHBondContact O-CA 3.48Å; R267-W270 PolarHBondContact O-N 3.22Å; R267-E271 PolarHBondContact O-N 2.72Å
268	K	53.3	Low	51.4	Low	112 Å²	112	81.4 Å²	81.4	49%	0.487	39%	0.394	S	S	.	.	H	α-helix	trans	-55.5	-32.7	173.7	-70.7	174.2	-173.8	165.3	0	111.6	E264 D265 W270 E271 S274	E264-K268 WeakPolarHBondContact O-CG 3.19Å; E264-K268 PolarHBondContact O-N 3.14Å; D265-K268 IonicContact OD1-NZ 2.65Å; K268-W270 PolarHBondContact O-N 2.89Å; K268-E271 PolarHBondContact O-N 2.92Å; K268-S274 WeakPolarHBondContact O-CB 3.44Å; K268-S274 PolarHBondContact O-OG 2.94Å
269	F	54.2	Low	50.5	Low	125 Å²	125	85.5 Å²	85.5	55%	0.548	41%	0.411	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62	-23.9	174.2	-166.2	-100	0	0	0	114	D265 L266 R267	D265-F269 PolarHBondContact O-N 3.15Å; L266-F269 VanDerWaalsContact O-CB 3.25Å; L266-F269 WeakPolarHBondContact O-CB 3.48Å; L266-F269 PolarHBondContact O-N 3.38Å; R267-F269 PolarHBondContact O-N 3.2Å; R267-F269 VanDerWaalsContact O-N 3.16Å
270	W	57.8	Low	49.2	Very low	17 Å²	17	84.1 Å²	84.1	6%	0.064	41%	0.414	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.4	-12.2	178.6	-59.9	-18.9	0	0	0	114.5	R267 K268 F627 Q628 W631 L721	R267-W270 WeakPolarHBondContact O-CA 3.48Å; R267-W270 PolarHBondContact O-N 3.22Å; K268-W270 PolarHBondContact O-N 2.89Å; W270-F627 HydrophobicContact CH2-CD1 4.38Å; W270-F627 HydrophobicContact CH2-CE1 4.13Å; W270-F627 AromaticContact CZ2-CD1 3.49Å; W270-F627 HydrophobicContact CZ2-CD1 3.49Å; W270-F627 VanDerWaalsContact CZ2-CD1 3.49Å; W270-F627 AromaticContact CZ2-CE1 3.43Å; W270-F627 HydrophobicContact CZ2-CE1 3.43Å; W270-F627 VanDerWaalsContact CZ2-CE1 3.43Å; W270-F627 HydrophobicContact CZ2-CG 4.31Å; W270-F627 HydrophobicContact CZ2-CZ 4.23Å; W270-Q628 HydrophobicContact CE3-CG 4.35Å; W270-Q628 HydrophobicContact CH2-CB 4.1Å; W270-Q628 HydrophobicContact CH2-CG 3.98Å; W270-Q628 HydrophobicContact CZ2-CB 3.94Å; W270-Q628 HydrophobicContact CZ2-CG 4.16Å; W270-Q628 HydrophobicContact CZ3-CG 4.07Å; W270-W631 HydrophobicContact CH2-CB 3.47Å; W270-W631 VanDerWaalsContact CH2-CB 3.47Å; W270-W631 AromaticContact CH2-CD2 3.91Å; W270-W631 HydrophobicContact CH2-CD2 3.91Å; W270-W631 HydrophobicContact CH2-CE3 4.34Å; W270-W631 AromaticContact CH2-CG 3.51Å; W270-W631 HydrophobicContact CH2-CG 3.51Å; W270-W631 HydrophobicContact CZ3-CB 3.94Å; W270-W631 AromaticContact CZ3-CD1 3.62Å; W270-W631 HydrophobicContact CZ3-CD2 4.06Å; W270-W631 AromaticContact CZ3-CG 3.59Å; W270-W631 HydrophobicContact CZ3-CG 3.59Å; W270-L721 HydrophobicContact CE3-CD1 3.91Å; W270-L721 HydrophobicContact CE3-CG 4.02Å; W270-L721 HydrophobicContact CZ3-CD1 3.86Å; W270-L721 HydrophobicContact CZ3-CD2 4.47Å; W270-L721 HydrophobicContact CZ3-CG 4.24Å
271	E	50.5	Low	48.1	Very low	102 Å²	102	81 Å²	81	48%	0.477	40%	0.403	S	S	.	.			trans	-65.9	136.1	177.6	-77.7	172.4	179.2	0	0	110.5	R267 K268 E273 S274	R267-E271 PolarHBondContact O-N 2.72Å; K268-E271 PolarHBondContact O-N 2.92Å; E271-E273 PolarHBondContact O-N 3.5Å; E271-E273 VanDerWaalsContact O-N 3.15Å; E271-S274 PolarHBondContact O-N 2.94Å; E271-S274 PolarHBondContact O-OG 2.92Å
272	V	45.2	Very low	47	Very low	25 Å²	25	85.8 Å²	85.8	15%	0.152	43%	0.434	C	S	.	.	G	3₁₀ helix	trans	-58.9	-28.1	-179	178.8	0	0	0	0	111.4	S274 L275 P720 L724 M732 R782	V272-S274 VanDerWaalsContact C-N 3.33Å; V272-S274 PolarHBondContact O-N 3.49Å; V272-L275 HydrophobicContact CG1-CD1 4.29Å; V272-L275 WeakPolarHBondContact O-CD1 3.32Å; V272-L275 WeakPolarHBondContact O-CG 3.46Å; V272-P720 HydrophobicContact CG2-CB 4.09Å; V272-P720 HydrophobicContact CG2-CG 3.27Å; V272-L724 HydrophobicContact CG2-CD1 4.24Å; V272-M732 HydrophobicContact CG1-SD 3.45Å; V272-M732 WeakPolarHBondContact CG1-SD 3.18Å; V272-R782 VanDerWaalsContact CG1-NH2 3.31Å
273	E	36.9	Very low	45.7	Very low	177 Å²	177	86.2 Å²	86.2	83%	0.827	44%	0.444	S	S	*	.	G	3₁₀ helix	trans	-80.8	-11.4	-174.3	-67.7	176.4	176.6	0	0	113.1	E271 L275	E271-E273 PolarHBondContact O-N 3.5Å; E271-E273 VanDerWaalsContact O-N 3.15Å; E273-L275 PolarHBondContact O-N 3.5Å
274	S	43.3	Very low	44.6	Very low	38 Å²	38	90.3 Å²	90.3	27%	0.266	46%	0.462	S	S	.	.	G	3₁₀ helix	trans	-83.3	18.6	178.4	69.6	0	0	0	0	114.3	K268 E271 V272 S276 R717	K268-S274 WeakPolarHBondContact O-CB 3.44Å; K268-S274 PolarHBondContact O-OG 2.94Å; E271-S274 PolarHBondContact O-N 2.94Å; E271-S274 PolarHBondContact O-OG 2.92Å; V272-S274 VanDerWaalsContact C-N 3.33Å; V272-S274 PolarHBondContact O-N 3.49Å; S274-S276 PolarHBondContact O-N 2.8Å; S274-R717 PolarHBondContact O-NH1 3.09Å; S274-R717 PolarHBondContact O-NH2 3.22Å; S274-R717 PolarHBondContact OG-NH1 3.08Å
275	L	46.7	Very low	43.7	Very low	14 Å²	14	89.1 Å²	89.1	7%	0.073	47%	0.465	C	S	.	.			trans	-71.2	38.2	-174.2	-71.7	161.9	0	0	0	113.8	V272 E273 L277 Y692 M732 L735 I736 R739	V272-L275 HydrophobicContact CG1-CD1 4.29Å; V272-L275 WeakPolarHBondContact O-CD1 3.32Å; V272-L275 WeakPolarHBondContact O-CG 3.46Å; E273-L275 PolarHBondContact O-N 3.5Å; L275-L277 PolarHBondContact O-N 2.82Å; L275-Y692 HydrophobicContact CD2-CE2 4.3Å; L275-M732 HydrophobicContact CD1-CE 3.57Å; L275-M732 HydrophobicContact CD1-SD 4.2Å; L275-L735 HydrophobicContact CD1-CD2 4.16Å; L275-I736 HydrophobicContact CD2-CD1 3.78Å; L275-I736 HydrophobicContact CD2-CG1 3.73Å; L275-R739 PolarHBondContact O-NH1 3.49Å
276	S	39.3	Very low	42.7	Very low	74 Å²	74	90.5 Å²	90.5	52%	0.517	47%	0.471	S	S	.	.			trans	-79.6	91	-174.5	-45.6	0	0	0	0	112	S274	S274-S276 PolarHBondContact O-N 2.8Å
277	L	49.9	Very low	41.6	Very low	58 Å²	58	90.5 Å²	90.5	30%	0.304	48%	0.479	S	S	.	.			trans	-90	52	135.4	-71.9	168.3	0	0	0	106.3	L275 R739 L740	L275-L277 PolarHBondContact O-N 2.82Å; L277-R739 HydrophobicContact CB-CB 4.39Å; L277-R739 HydrophobicContact CD1-CB 4.02Å; L277-L740 HydrophobicContact CD1-CB 4.42Å
278	E	39.3	Very low	41.2	Very low	146 Å²	146	85 Å²	85	68%	0.682	46%	0.46	S	S	*	.			trans	-75.9	131.2	177.3	-76.1	-174	-177.1	0	0	108.1	S280	E278-S280 PolarHBondContact O-N 2.93Å
279	K	37.2	Very low	41	Very low	112 Å²	112	84.5 Å²	84.5	49%	0.487	46%	0.463	S	S	.	.			trans	-52.9	130.6	163.8	-64.8	-171.9	174.6	-151.1	0	107.6	D281 E746	K279-D281 HydrophobicContact CB-CB 4.22Å; K279-D281 WeakPolarHBondContact CD-OD2 3.22Å; K279-D281 PolarHBondContact O-N 2.83Å; K279-E746 WeakPolarHBondContact CE-OE2 3.45Å; K279-E746 IonicContact NZ-OE1 3.89Å; K279-E746 PolarHBondContact NZ-OE1 2.86Å; K279-E746 IonicContact NZ-OE2 2.73Å; K279-E746 PolarHBondContact NZ-OE2 2.89Å
280	S	28.6	Very low	40.8	Very low	86 Å²	86	83.1 Å²	83.1	60%	0.601	46%	0.461	S	S	*	.	S	Bend	trans	-69	24.1	175.7	49.5	0	0	0	0	113.7	E278 T282	E278-S280 PolarHBondContact O-N 2.93Å; S280-T282 PolarHBondContact O-N 2.96Å; S280-T282 VanDerWaalsContact O-N 3.07Å
281	D	29.6	Very low	40.6	Very low	102 Å²	102	82.6 Å²	82.6	55%	0.545	46%	0.46	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81	14.1	-165.1	-71.6	-8.7	0	0	0	114.5	K279	K279-D281 HydrophobicContact CB-CB 4.22Å; K279-D281 WeakPolarHBondContact CD-OD2 3.22Å; K279-D281 PolarHBondContact O-N 2.83Å
282	T	29.4	Very low	40.9	Very low	127 Å²	127	80.7 Å²	80.7	78%	0.779	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	-126.8	4.5	179.2	49.8	0	0	0	0	115.6	S280	S280-T282 PolarHBondContact O-N 2.96Å; S280-T282 VanDerWaalsContact O-N 3.07Å
283	C	27.9	Very low	41.5	Very low	99 Å²	99	87.2 Å²	87.2	67%	0.669	48%	0.482	S	S	*	.	S	Bend	trans	-109.1	-6.2	168.8	-141.6	0	0	0	0	113.7	S285	C283-S285 VanDerWaalsContact C-N 3.35Å; C283-S285 PolarHBondContact O-N 3.25Å
284	E	34.8	Very low	42.7	Very low	112 Å²	112	83.3 Å²	83.3	52%	0.523	46%	0.464	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.2	-0.3	-174.5	-73.1	-162.1	154.4	0	0	115.8	T288	E284-T288 PolarHBondContact O-OG1 2.89Å
285	S	39	Very low	44	Very low	76 Å²	76	81.8 Å²	81.8	53%	0.531	45%	0.453	S	S	.	.	T	Hydrogen-bonded Turn	trans	-118	-28.9	178.6	59.4	0	0	0	0	115.6	C283	C283-S285 VanDerWaalsContact C-N 3.35Å; C283-S285 PolarHBondContact O-N 3.25Å
286	I	35.5	Very low	45.8	Very low	134 Å²	134	82.3 Å²	82.3	69%	0.687	46%	0.462	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.6	-27.7	-172.6	-53.5	177.4	0	0	0	112.5
287	G	39.2	Very low	48.2	Very low	32 Å²	32	80.6 Å²	80.6	33%	0.33	45%	0.448	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.7	-28.3	-178.8	0	0	0	0	0	115	A291	G287-A291 WeakPolarHBondContact O-CB 3.47Å; G287-A291 PolarHBondContact O-N 2.78Å
288	T	48.2	Very low	50.3	Low	18 Å²	18	80.4 Å²	80.4	11%	0.11	46%	0.455	C	S	.	.	H	α-helix	trans	-67.9	-44.5	179.9	21.8	0	0	0	0	112.1	E284 N292 P411 L413	E284-T288 PolarHBondContact O-OG1 2.89Å; T288-N292 WeakPolarHBondContact O-CB 3.29Å; T288-N292 VanDerWaalsContact O-CG 3.27Å; T288-N292 PolarHBondContact O-N 2.89Å; T288-N292 PolarHBondContact O-ND2 3.49Å; T288-P411 HydrophobicContact CG2-CB 4.16Å; T288-P411 HydrophobicContact CG2-CG 3.69Å; T288-L413 HydrophobicContact CG2-CD2 4.39Å
289	D	49.6	Very low	52.9	Low	101 Å²	101	77.6 Å²	77.6	54%	0.54	44%	0.441	S	S	.	.	H	α-helix	trans	-67.4	-43.2	-178.1	-74.2	-11.3	0	0	0	111.9	Q293	D289-Q293 WeakPolarHBondContact O-CB 3.23Å; D289-Q293 WeakPolarHBondContact O-CG 3.45Å; D289-Q293 PolarHBondContact O-N 3.38Å
290	N	49.6	Very low	55.6	Low	96 Å²	96	77.4 Å²	77.4	51%	0.513	45%	0.445	S	S	.	.	H	α-helix	trans	-66.7	-42.8	177.5	-76.5	-28	0	0	0	112.6	Q294	N290-Q294 WeakPolarHBondContact O-CG 3.49Å; N290-Q294 PolarHBondContact O-N 2.92Å; N290-Q294 VanDerWaalsContact O-N 3.16Å
291	A	52.9	Low	58.5	Low	5 Å²	5	75.9 Å²	75.9	4%	0.041	44%	0.443	C	S	.	.	H	α-helix	trans	-71.2	-36.2	179.4	0	0	0	0	0	112.4	G287 Q294 C295 F482	G287-A291 WeakPolarHBondContact O-CB 3.47Å; G287-A291 PolarHBondContact O-N 2.78Å; A291-Q294 PolarHBondContact O-N 3.15Å; A291-C295 PolarHBondContact O-N 3.47Å; A291-F482 HydrophobicContact CB-CE1 4.42Å; A291-F482 HydrophobicContact CB-CZ 4Å
292	N	56.9	Low	61.5	Low	62 Å²	62	76.6 Å²	76.6	33%	0.332	44%	0.443	S	S	.	.	H	α-helix	trans	-70.8	-34.7	175.3	-78.3	-21.7	0	0	0	112.2	T288 Q294 N486	T288-N292 WeakPolarHBondContact O-CB 3.29Å; T288-N292 VanDerWaalsContact O-CG 3.27Å; T288-N292 PolarHBondContact O-N 2.89Å; T288-N292 PolarHBondContact O-ND2 3.49Å; N292-Q294 VanDerWaalsContact C-N 3.33Å; N292-N486 PolarHBondContact OD1-ND2 3.23Å; N292-N486 PolarHBondContact OD1-OD1 2.96Å
293	Q	58.5	Low	64.6	Low	162 Å²	162	72.4 Å²	72.4	76%	0.757	41%	0.413	S	S	*	.	H	α-helix	trans	-68.3	-31.9	174	-83.7	179.6	-11.8	0	0	112.8	D289	D289-Q293 WeakPolarHBondContact O-CB 3.23Å; D289-Q293 WeakPolarHBondContact O-CG 3.45Å; D289-Q293 PolarHBondContact O-N 3.38Å
294	Q	60.6	Low	67.8	Low	95 Å²	95	67.9 Å²	67.9	44%	0.444	38%	0.382	S	S	.	.	H	α-helix	trans	-83	-21.4	-179.4	-73.8	178.2	-7.3	0	0	114.1	N290 A291 N292	N290-Q294 WeakPolarHBondContact O-CG 3.49Å; N290-Q294 PolarHBondContact O-N 2.92Å; N290-Q294 VanDerWaalsContact O-N 3.16Å; A291-Q294 PolarHBondContact O-N 3.15Å; N292-Q294 VanDerWaalsContact C-N 3.33Å
295	C	72.5	Confident	70.7	Confident	6 Å²	6	64.3 Å²	64.3	4%	0.041	37%	0.367	C	S	.	.	S	Bend	trans	-94.3	106	177.8	-173.5	0	0	0	0	110.7	A291 V297 S307 L483	A291-C295 PolarHBondContact O-N 3.47Å; C295-V297 PolarHBondContact O-N 2.93Å; C295-S307 PolarHBondContact SG-O 3.48Å; C295-L483 HydrophobicContact CB-CD2 4.4Å; C295-L483 WeakPolarHBondContact SG-CD2 3.25Å
296	G	83.1	Confident	73.4	Confident	26 Å²	26	60.7 Å²	60.7	27%	0.268	34%	0.342	S	S	.	.			trans	-68.4	117.2	170.8	0	0	0	0	0	110.3	V306 S307	G296-V306 CarbonylContact O-C 3.6Å; G296-V306 VanDerWaalsContact O-CA 3.31Å; G296-V306 WeakPolarHBondContact O-CA 3.42Å; G296-S307 PolarHBondContact N-OG 2.89Å; G296-S307 PolarHBondContact O-N 2.92Å
297	V	90.8	Very high	76.2	Confident	38 Å²	38	54.8 Å²	54.8	23%	0.23	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	120.4	178.2	-177.9	0	0	0	0	109.4	C295 Y304 T305 V306 V487	C295-V297 PolarHBondContact O-N 2.93Å; V297-Y304 HydrophobicContact CG1-CD1 3.56Å; V297-Y304 HydrophobicContact CG1-CE1 4.18Å; V297-T305 WeakPolarHBondContact CA-O 3.41Å; V297-V306 HydrophobicContact CG2-CG1 4.2Å; V297-V487 HydrophobicContact CG1-CG2 4.33Å
298	A	93.2	Very high	78.7	Confident	53 Å²	53	53.5 Å²	53.5	44%	0.438	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	148.3	175.9	0	0	0	0	0	110.3	Y304 T305	A298-Y304 CarbonylContact O-C 3.52Å; A298-Y304 VanDerWaalsContact O-CA 3.25Å; A298-Y304 WeakPolarHBondContact O-CA 3.49Å; A298-T305 PolarHBondContact N-O 3.07Å; A298-T305 PolarHBondContact O-N 3.45Å
299	F	94.2	Very high	80.8	Confident	88 Å²	88	52.7 Å²	52.7	39%	0.386	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	128.4	177.2	-177	-122	0	0	0	108.7	G301 R303 Y304 T538	F299-G301 VanDerWaalsContact CE1-CA 3.44Å; F299-G301 WeakPolarHBondContact CZ-O 3.33Å; F299-R303 WeakPolarHBondContact CD2-O 3.42Å; F299-Y304 HydrophobicContact CB-CD1 3.88Å; F299-Y304 HydrophobicContact CB-CE1 3.69Å; F299-Y304 HydrophobicContact CB-CG 4.43Å; F299-Y304 HydrophobicContact CD2-CD1 4.11Å; F299-Y304 AromaticContact CD2-CD2 3.48Å; F299-Y304 HydrophobicContact CD2-CD2 3.48Å; F299-Y304 VanDerWaalsContact CD2-CD2 3.48Å; F299-Y304 HydrophobicContact CD2-CE1 4.06Å; F299-Y304 AromaticContact CD2-CE2 3.38Å; F299-Y304 HydrophobicContact CD2-CE2 3.38Å; F299-Y304 AromaticContact CD2-CG 3.86Å; F299-Y304 HydrophobicContact CD2-CG 3.86Å; F299-Y304 AromaticContact CD2-CZ 3.7Å; F299-Y304 AromaticContact CE2-CD2 3.93Å; F299-Y304 HydrophobicContact CE2-CD2 3.93Å; F299-Y304 AromaticContact CE2-CE2 3.7Å; F299-Y304 HydrophobicContact CE2-CE2 3.7Å; F299-Y304 HydrophobicContact CG-CD1 4.37Å; F299-Y304 HydrophobicContact CG-CD2 4.41Å; F299-Y304 HydrophobicContact CG-CE1 4.06Å; F299-Y304 HydrophobicContact CG-CE2 4.06Å; F299-Y304 AromaticContact CG-CZ 3.88Å; F299-T538 WeakPolarHBondContact CZ-O 3.37Å
300	D	92.5	Very high	82.7	Confident	107 Å²	107	49.4 Å²	49.4	57%	0.572	27%	0.273	S	S	*	.			trans	-95.2	1.5	-178.3	62.9	16.8	0	0	0	113.6	E302 R303	D300-E302 WeakPolarHBondContact OD1-CA 3.37Å; D300-E302 PolarHBondContact OD1-N 3.3Å; D300-R303 PolarHBondContact N-O 3.17Å; D300-R303 VanDerWaalsContact N-O 3.15Å; D300-R303 PolarHBondContact OD1-N 3.48Å; D300-R303 VanDerWaalsContact OD1-O 3.08Å
301	G	91.5	Very high	84.4	Confident	54 Å²	54	50 Å²	50	56%	0.557	27%	0.271	S	S	*	.	S	Bend	trans	101.4	-18.6	-174.1	0	0	0	0	0	113.9	F299	F299-G301 VanDerWaalsContact CE1-CA 3.44Å; F299-G301 WeakPolarHBondContact CZ-O 3.33Å
302	E	91.7	Very high	85.7	Confident	118 Å²	118	53.4 Å²	53.4	55%	0.551	29%	0.292	S	S	*	.	S	Bend	trans	-118.2	-41.4	175.9	-165.9	-161.1	134.6	0	0	111.5	D300 A539 G540	D300-E302 WeakPolarHBondContact OD1-CA 3.37Å; D300-E302 PolarHBondContact OD1-N 3.3Å; E302-A539 CarbonylContact O-C 3.38Å; E302-A539 WeakPolarHBondContact O-CA 3.38Å; E302-G540 PolarHBondContact O-N 3.21Å
303	R	93.7	Very high	86.5	Confident	38 Å²	38	58.7 Å²	58.7	14%	0.143	32%	0.315	C	S	.	.			trans	-144.1	154.8	-170.9	-63.9	-176.7	178.4	-79.9	-3.8	112.2	F299 D300 Q441 G540	F299-R303 WeakPolarHBondContact CD2-O 3.42Å; D300-R303 PolarHBondContact N-O 3.17Å; D300-R303 VanDerWaalsContact N-O 3.15Å; D300-R303 PolarHBondContact OD1-N 3.48Å; D300-R303 VanDerWaalsContact OD1-O 3.08Å; R303-Q441 PolarHBondContact NH1-O 3.2Å; R303-Q441 VanDerWaalsContact NH1-O 3.17Å; R303-G540 PolarHBondContact NH1-O 3.11Å
304	Y	95.8	Very high	87.2	Confident	5 Å²	5	58.1 Å²	58.1	2%	0.02	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	138	173.2	-73.5	-96.7	0	0	0	111.4	V297 A298 F299 C443 V487 H491 Q494 A539	V297-Y304 HydrophobicContact CG1-CD1 3.56Å; V297-Y304 HydrophobicContact CG1-CE1 4.18Å; A298-Y304 CarbonylContact O-C 3.52Å; A298-Y304 VanDerWaalsContact O-CA 3.25Å; A298-Y304 WeakPolarHBondContact O-CA 3.49Å; F299-Y304 HydrophobicContact CB-CD1 3.88Å; F299-Y304 HydrophobicContact CB-CE1 3.69Å; F299-Y304 HydrophobicContact CB-CG 4.43Å; F299-Y304 HydrophobicContact CD2-CD1 4.11Å; F299-Y304 AromaticContact CD2-CD2 3.48Å; F299-Y304 HydrophobicContact CD2-CD2 3.48Å; F299-Y304 VanDerWaalsContact CD2-CD2 3.48Å; F299-Y304 HydrophobicContact CD2-CE1 4.06Å; F299-Y304 AromaticContact CD2-CE2 3.38Å; F299-Y304 HydrophobicContact CD2-CE2 3.38Å; F299-Y304 AromaticContact CD2-CG 3.86Å; F299-Y304 HydrophobicContact CD2-CG 3.86Å; F299-Y304 AromaticContact CD2-CZ 3.7Å; F299-Y304 AromaticContact CE2-CD2 3.93Å; F299-Y304 HydrophobicContact CE2-CD2 3.93Å; F299-Y304 AromaticContact CE2-CE2 3.7Å; F299-Y304 HydrophobicContact CE2-CE2 3.7Å; F299-Y304 HydrophobicContact CG-CD1 4.37Å; F299-Y304 HydrophobicContact CG-CD2 4.41Å; F299-Y304 HydrophobicContact CG-CE1 4.06Å; F299-Y304 HydrophobicContact CG-CE2 4.06Å; F299-Y304 AromaticContact CG-CZ 3.88Å; Y304-C443 WeakPolarHBondContact O-CB 3.17Å; Y304-C443 PolarHBondContact O-N 3.2Å; Y304-V487 HydrophobicContact CD1-CG1 4.22Å; Y304-V487 HydrophobicContact CD2-CG1 3.47Å; Y304-V487 VanDerWaalsContact CD2-CG1 3.47Å; Y304-V487 HydrophobicContact CE2-CG1 4.23Å; Y304-V487 HydrophobicContact CG-CB 4.49Å; Y304-V487 HydrophobicContact CG-CG1 3.47Å; Y304-V487 VanDerWaalsContact CG-CG1 3.47Å; Y304-V487 HydrophobicContact CG-CG2 4.33Å; Y304-H491 HydrophobicContact CE2-CB 3.74Å; Y304-H491 AromaticContact CE2-CG 3.79Å; Y304-H491 AromaticContact CE2-ND1 3.41Å; Y304-H491 WeakPolarHBondContact CE2-ND1 3.26Å; Y304-H491 AromaticContact CZ-ND1 3.63Å; Y304-H491 WeakPolarHBondContact OH-CA 3.19Å; Y304-H491 PolarHBondContact OH-ND1 2.88Å; Y304-Q494 PolarHBondContact OH-OE1 3.34Å; Y304-A539 HydrophobicContact CD2-CB 4.08Å; Y304-A539 HydrophobicContact CE2-CB 3.85Å
305	T	96.6	Very high	87.9	Confident	36 Å²	36	55.5 Å²	55.5	22%	0.221	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	129.8	168.8	-61.6	0	0	0	0	109.5	V297 A298 C443 R445	V297-T305 WeakPolarHBondContact CA-O 3.41Å; A298-T305 PolarHBondContact N-O 3.07Å; A298-T305 PolarHBondContact O-N 3.45Å; T305-C443 CarbonylContact C-O 3.57Å; T305-C443 WeakPolarHBondContact CA-O 3.46Å; T305-C443 HydrophobicContact CG2-CB 4.3Å; T305-C443 WeakPolarHBondContact OG1-CB 3.26Å; T305-R445 HydrophobicContact CG2-CB 4.12Å
306	V	95.3	Very high	88.5	Confident	0 Å²	0	60.4 Å²	60.4	0%	0	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	147.4	179.3	-57.1	0	0	0	0	111.4	G296 V297 V442 C443 R445 I473 L483 V487	G296-V306 CarbonylContact O-C 3.6Å; G296-V306 VanDerWaalsContact O-CA 3.31Å; G296-V306 WeakPolarHBondContact O-CA 3.42Å; V297-V306 HydrophobicContact CG2-CG1 4.2Å; V306-V442 HydrophobicContact CB-CG1 4.37Å; V306-V442 HydrophobicContact CG1-CG1 3.68Å; V306-V442 HydrophobicContact CG2-CG1 3.79Å; V306-C443 PolarHBondContact N-O 3.35Å; V306-R445 PolarHBondContact O-N 3.07Å; V306-I473 HydrophobicContact CG2-CG2 3.75Å; V306-L483 HydrophobicContact CB-CD2 4.38Å; V306-L483 HydrophobicContact CG2-CB 4.42Å; V306-L483 HydrophobicContact CG2-CD1 4.07Å; V306-L483 HydrophobicContact CG2-CD2 4.33Å; V306-V487 HydrophobicContact CG1-CG2 3.52Å
307	S	93.9	Very high	88.9	Confident	11 Å²	11	59.4 Å²	59.4	8%	0.077	32%	0.323	C	S	.	.			trans	-87.8	154.5	163.9	69.3	0	0	0	0	111.3	C295 G296 D448	C295-S307 PolarHBondContact SG-O 3.48Å; G296-S307 PolarHBondContact N-OG 2.89Å; G296-S307 PolarHBondContact O-N 2.92Å; S307-D448 WeakPolarHBondContact CA-OD2 3.49Å; S307-D448 WeakPolarHBondContact CB-OD2 3.22Å
308	L	92.6	Very high	89	Confident	5 Å²	5	58.9 Å²	58.9	3%	0.026	32%	0.321	C	S	.	.			trans	-75.1	135.8	174.2	-70.4	178.6	0	0	0	110.6	W310 L407 L444 D448 V451 L477 L483	L308-W310 HydrophobicContact CD1-CZ2 4.47Å; L308-W310 PolarHBondContact O-N 3.44Å; L308-W310 VanDerWaalsContact O-N 3.1Å; L308-L407 HydrophobicContact CB-CD2 3.92Å; L308-L407 HydrophobicContact CD1-CD1 4.45Å; L308-L407 HydrophobicContact CD1-CD2 4.37Å; L308-L407 HydrophobicContact CD2-CD1 4.45Å; L308-L444 HydrophobicContact CD2-CD2 3.8Å; L308-L444 HydrophobicContact CG-CD2 4.03Å; L308-D448 HydrophobicContact CB-CB 4.34Å; L308-D448 HydrophobicContact CD1-CB 3.92Å; L308-D448 HydrophobicContact CG-CB 3.9Å; L308-D448 PolarHBondContact N-OD2 3.36Å; L308-V451 HydrophobicContact CD1-CG2 3.46Å; L308-V451 VanDerWaalsContact CD1-CG2 3.46Å; L308-L477 HydrophobicContact CD2-CD1 4.12Å; L308-L483 HydrophobicContact CD2-CD1 4.24Å
309	P	90.9	Very high	89	Confident	0 Å²	0	61.5 Å²	61.5	0%	0	33%	0.327	C	S	.	.			trans	-81.3	92.1	179.6	33.5	-36.1	0	0	0	110.1	L407 I408 C479	P309-L407 WeakPolarHBondContact O-CA 3.43Å; P309-I408 HydrophobicContact CB-CB 4.19Å; P309-I408 HydrophobicContact CG-CB 4.49Å; P309-I408 VanDerWaalsContact CG-O 3.23Å; P309-I408 WeakPolarHBondContact CG-O 3.45Å; P309-I408 PolarHBondContact O-N 3.3Å; P309-C479 HydrophobicContact CG-CB 3.77Å
310	W	89.1	Confident	89	Confident	33 Å²	33	57.3 Å²	57.3	13%	0.125	31%	0.309	C	S	.	.	B	Isolated β-bridge	trans	-73.4	138.5	-179.3	-68.5	97	0	0	0	112	L308 L315 L317 R369 A406 L407 I408 D448 V451	L308-W310 HydrophobicContact CD1-CZ2 4.47Å; L308-W310 PolarHBondContact O-N 3.44Å; L308-W310 VanDerWaalsContact O-N 3.1Å; W310-L315 HydrophobicContact CZ3-CD2 4.38Å; W310-L317 HydrophobicContact CH2-CD1 4.2Å; W310-L317 HydrophobicContact CZ3-CD1 4.4Å; W310-R369 VanDerWaalsContact CZ2-NH1 3.32Å; W310-R369 VanDerWaalsContact NE1-NH1 3.15Å; W310-A406 HydrophobicContact CE3-CB 4.34Å; W310-A406 HydrophobicContact CZ3-CB 3.97Å; W310-L407 HydrophobicContact CD2-CD2 3.99Å; W310-L407 HydrophobicContact CE3-CD2 4.03Å; W310-L407 HydrophobicContact CZ2-CD2 4.47Å; W310-L407 HydrophobicContact CZ3-CD2 4.3Å; W310-I408 WeakPolarHBondContact O-CD1 3.36Å; W310-D448 PolarHBondContact NE1-OD1 3.25Å; W310-V451 HydrophobicContact CH2-CB 4.4Å; W310-V451 HydrophobicContact CH2-CG1 3.65Å; W310-V451 HydrophobicContact CH2-CG2 4.41Å; W310-V451 HydrophobicContact CZ2-CG1 3.85Å; W310-V451 HydrophobicContact CZ2-CG2 4.23Å
311	K	85.9	Confident	89.1	Confident	108 Å²	108	54.6 Å²	54.6	47%	0.47	29%	0.291	S	S	.	.	S	Bend	trans	-67.3	-40	176.7	-76.1	-175.7	-175.3	170.1	0	113.4	D405 A406 L407 I408	K311-D405 VanDerWaalsContact CD-O 3.31Å; K311-D405 WeakPolarHBondContact CD-O 3.3Å; K311-D405 VanDerWaalsContact CE-O 3.29Å; K311-D405 WeakPolarHBondContact CE-O 3.25Å; K311-D405 PolarHBondContact NZ-O 3.28Å; K311-A406 PolarHBondContact N-O 3.28Å; K311-L407 VanDerWaalsContact CE-O 3.24Å; K311-L407 WeakPolarHBondContact CE-O 3.42Å; K311-I408 HydrophobicContact CB-CG1 4.32Å; K311-I408 HydrophobicContact CG-CG1 3.59Å
312	T	80.9	Confident	89.3	Confident	76 Å²	76	58.3 Å²	58.3	47%	0.466	29%	0.294	S	S	.	.			trans	-145	138.4	179.5	54.8	0	0	0	0	108.9	D314 L315	T312-D314 PolarHBondContact O-N 2.96Å; T312-L315 PolarHBondContact O-N 3.49Å
313	E	73.5	Confident	89.4	Confident	174 Å²	174	53.8 Å²	53.8	81%	0.813	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-33	178.4	-66	-169.9	169.4	0	0	112.1	L315 R369	E313-L315 VanDerWaalsContact C-N 3.25Å; E313-L315 PolarHBondContact O-N 3.43Å; E313-R369 PolarHBondContact O-NH2 2.88Å
314	D	73.4	Confident	89.5	Confident	149 Å²	149	52.1 Å²	52.1	80%	0.797	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80	7.2	-178.5	-57.7	-40.6	0	0	0	114.8	T312 V316	T312-D314 PolarHBondContact O-N 2.96Å; D314-V316 PolarHBondContact O-N 3.39Å
315	L	74.5	Confident	89.5	Confident	41 Å²	41	53.4 Å²	53.4	22%	0.215	27%	0.274	C	S	.	.			trans	-71.7	120.9	-176.7	-164.1	144	0	0	0	111.3	W310 T312 E313 L317 A406	W310-L315 HydrophobicContact CZ3-CD2 4.38Å; T312-L315 PolarHBondContact O-N 3.49Å; E313-L315 VanDerWaalsContact C-N 3.25Å; E313-L315 PolarHBondContact O-N 3.43Å; L315-L317 HydrophobicContact CD2-CD2 3.71Å; L315-L317 HydrophobicContact CD2-CG 3.81Å; L315-A406 HydrophobicContact CD1-CB 3.62Å; L315-A406 HydrophobicContact CD2-CB 3.5Å; L315-A406 HydrophobicContact CG-CB 4.2Å
316	V	85.6	Confident	89.3	Confident	108 Å²	108	56.6 Å²	56.6	66%	0.655	29%	0.287	S	S	*	.			trans	-107.9	109.9	178.3	-178.7	0	0	0	0	109.6	D314	D314-V316 PolarHBondContact O-N 3.39Å
317	L	91.2	Very high	89.3	Confident	6 Å²	6	59.6 Å²	59.6	3%	0.031	30%	0.3	C	S	.	.	B	Isolated β-bridge	trans	-76.4	132.2	172.7	-67.2	171.9	0	0	0	110.9	W310 L315 G368 W371 L403 A406 V451	W310-L317 HydrophobicContact CH2-CD1 4.2Å; W310-L317 HydrophobicContact CZ3-CD1 4.4Å; L315-L317 HydrophobicContact CD2-CD2 3.71Å; L315-L317 HydrophobicContact CD2-CG 3.81Å; L317-G368 WeakPolarHBondContact CB-O 3.41Å; L317-G368 PolarHBondContact N-O 2.8Å; L317-G368 WeakPolarHBondContact O-CA 3.32Å; L317-W371 HydrophobicContact CB-CE3 3.91Å; L317-W371 HydrophobicContact CB-CZ3 4.29Å; L317-W371 HydrophobicContact CD1-CB 4.1Å; L317-W371 HydrophobicContact CD1-CE3 4.34Å; L317-W371 HydrophobicContact CD2-CE3 4.21Å; L317-W371 HydrophobicContact CD2-CZ3 4.27Å; L317-W371 HydrophobicContact CG-CE3 4.39Å; L317-L403 HydrophobicContact CD1-CD1 4.08Å; L317-A406 HydrophobicContact CD2-CB 4.22Å; L317-V451 HydrophobicContact CD1-CG1 4.14Å
318	P	92.9	Very high	89.4	Confident	27 Å²	27	59.3 Å²	59.3	18%	0.175	30%	0.297	C	S	.	.			trans	-70.3	148.3	174.5	26.4	-31.4	0	0	0	111.7	N320 W371 Y398 R399 V401	P318-N320 PolarHBondContact O-N 2.92Å; P318-W371 HydrophobicContact CG-CZ3 3.98Å; P318-W371 VanDerWaalsContact O-CZ3 3.31Å; P318-W371 WeakPolarHBondContact O-CZ3 3.48Å; P318-Y398 HydrophobicContact CB-CD1 4.12Å; P318-Y398 HydrophobicContact CB-CE1 4.14Å; P318-Y398 HydrophobicContact CG-CD1 3.98Å; P318-Y398 HydrophobicContact CG-CE1 4.48Å; P318-R399 HydrophobicContact CB-CB 4.46Å; P318-R399 HydrophobicContact CG-CB 4.13Å; P318-V401 VanDerWaalsContact CD-CG2 3.43Å; P318-V401 HydrophobicContact CG-CG2 3.69Å
319	D	93	Very high	89.4	Confident	107 Å²	107	64.5 Å²	64.5	57%	0.572	32%	0.32	S	S	*	.			trans	-66.6	108.1	174.7	-178.5	3.2	0	0	0	111.4	Y321 Y398	D319-Y321 WeakPolarHBondContact OD1-CB 3.49Å; D319-Y321 PolarHBondContact OD1-N 3.42Å; D319-Y398 WeakPolarHBondContact O-CE1 3.45Å; D319-Y398 PolarHBondContact O-OH 3.35Å
320	N	95.2	Very high	89.5	Confident	0 Å²	0	69.9 Å²	69.9	0%	0	35%	0.345	C	S	.	.			trans	-99.6	12	-178.3	78.7	-23.9	0	0	0	113.7	P318 H322 M323 A324 W371 Y372 Y398	P318-N320 PolarHBondContact O-N 2.92Å; N320-H322 VanDerWaalsContact C-N 3.32Å; N320-H322 PolarHBondContact O-N 3.17Å; N320-M323 HydrophobicContact CB-CE 4.01Å; N320-M323 VanDerWaalsContact ND2-CE 3.32Å; N320-M323 WeakPolarHBondContact ND2-CE 3.47Å; N320-M323 WeakPolarHBondContact O-CB 3.23Å; N320-M323 PolarHBondContact O-N 2.79Å; N320-A324 PolarHBondContact O-N 2.89Å; N320-W371 HydrophobicContact CB-CD2 4.48Å; N320-W371 HydrophobicContact CB-CE3 4.14Å; N320-W371 HydrophobicContact CB-CH2 4.17Å; N320-W371 HydrophobicContact CB-CZ2 4.44Å; N320-W371 HydrophobicContact CB-CZ3 3.99Å; N320-W371 VanDerWaalsContact ND2-CD2 3.34Å; N320-W371 WeakPolarHBondContact ND2-CZ2 3.33Å; N320-W371 PolarHBondContact ND2-NE1 3.36Å; N320-Y372 PolarHBondContact ND2-O 3Å; N320-Y372 WeakPolarHBondContact OD1-CB 3.45Å; N320-Y372 WeakPolarHBondContact OD1-CD2 3.36Å; N320-Y372 PolarHBondContact OD1-N 3.16Å; N320-Y398 HydrophobicContact CB-CD1 3.43Å; N320-Y398 VanDerWaalsContact CB-CD1 3.43Å; N320-Y398 HydrophobicContact CB-CD2 4.39Å; N320-Y398 HydrophobicContact CB-CE1 4.04Å; N320-Y398 HydrophobicContact CB-CG 3.62Å
321	Y	94.9	Very high	89.6	Confident	50 Å²	50	69 Å²	69	20%	0.196	34%	0.343	C	S	.	.	H	α-helix	trans	-50.4	-48	-176.8	179.7	-90.3	0	0	0	112.9	D319 M323 A324 L325 Y372 L455	D319-Y321 WeakPolarHBondContact OD1-CB 3.49Å; D319-Y321 PolarHBondContact OD1-N 3.42Å; Y321-M323 VanDerWaalsContact C-N 3.31Å; Y321-M323 PolarHBondContact O-N 2.92Å; Y321-A324 PolarHBondContact O-N 2.88Å; Y321-A324 VanDerWaalsContact O-N 3.17Å; Y321-L325 HydrophobicContact CE1-CB 4.45Å; Y321-L325 HydrophobicContact CE1-CD2 4.09Å; Y321-L325 WeakPolarHBondContact O-CB 3.31Å; Y321-L325 PolarHBondContact O-N 2.94Å; Y321-Y372 HydrophobicContact CD2-CD1 4.09Å; Y321-Y372 HydrophobicContact CD2-CD2 4.25Å; Y321-Y372 AromaticContact CD2-CE1 3.73Å; Y321-Y372 HydrophobicContact CD2-CE1 3.73Å; Y321-Y372 AromaticContact CD2-CE2 3.92Å; Y321-Y372 HydrophobicContact CD2-CE2 3.92Å; Y321-Y372 HydrophobicContact CD2-CG 4.35Å; Y321-Y372 AromaticContact CD2-CZ 3.65Å; Y321-Y372 HydrophobicContact CE2-CE1 4.25Å; Y321-Y372 HydrophobicContact CG-CE2 4.43Å; Y321-L455 HydrophobicContact CD2-CD1 4.19Å; Y321-L455 HydrophobicContact CD2-CD2 3.99Å; Y321-L455 HydrophobicContact CE2-CD1 3.86Å; Y321-L455 HydrophobicContact CE2-CD2 3.46Å; Y321-L455 VanDerWaalsContact CE2-CD2 3.46Å; Y321-L455 HydrophobicContact CE2-CG 4.31Å
322	H	94	Very high	89.9	Confident	132 Å²	132	64.4 Å²	64.4	61%	0.611	32%	0.323	S	S	*	.	H	α-helix	trans	-61.5	-39.8	-178.5	-174.9	-77.7	0	0	0	112.2	N320 L325 Q326	N320-H322 VanDerWaalsContact C-N 3.32Å; N320-H322 PolarHBondContact O-N 3.17Å; H322-L325 PolarHBondContact O-N 2.78Å; H322-Q326 WeakPolarHBondContact O-CB 3.44Å; H322-Q326 PolarHBondContact O-N 2.87Å
323	M	95.3	Very high	90.3	Very high	23 Å²	23	62.6 Å²	62.6	11%	0.113	32%	0.316	C	S	.	.	H	α-helix	trans	-66.2	-43.3	176.3	174.9	-132.2	56.9	0	0	110.8	N320 Y321 L325 Q326 K327 P374 C396 Y398	N320-M323 HydrophobicContact CB-CE 4.01Å; N320-M323 VanDerWaalsContact ND2-CE 3.32Å; N320-M323 WeakPolarHBondContact ND2-CE 3.47Å; N320-M323 WeakPolarHBondContact O-CB 3.23Å; N320-M323 PolarHBondContact O-N 2.79Å; Y321-M323 VanDerWaalsContact C-N 3.31Å; Y321-M323 PolarHBondContact O-N 2.92Å; M323-L325 VanDerWaalsContact C-N 3.34Å; M323-L325 PolarHBondContact O-N 3Å; M323-Q326 PolarHBondContact O-N 2.82Å; M323-K327 PolarHBondContact O-N 3.05Å; M323-P374 HydrophobicContact CE-CG 3.59Å; M323-C396 PolarHBondContact SD-SG 3.05Å; M323-Y398 HydrophobicContact CB-CD2 3.76Å; M323-Y398 HydrophobicContact CB-CE2 4.04Å; M323-Y398 HydrophobicContact CG-CD2 4.19Å; M323-Y398 HydrophobicContact SD-CD2 4.26Å; M323-Y398 HydrophobicContact SD-CG 4.44Å
324	A	95.5	Very high	91.1	Very high	4 Å²	4	59.2 Å²	59.2	3%	0.033	30%	0.296	C	S	.	.	H	α-helix	trans	-63.1	-41.5	177.2	0	0	0	0	0	111.5	N320 Y321 K327 L328 Y372 L455	N320-A324 PolarHBondContact O-N 2.89Å; Y321-A324 PolarHBondContact O-N 2.88Å; Y321-A324 VanDerWaalsContact O-N 3.17Å; A324-K327 PolarHBondContact O-N 2.8Å; A324-L328 PolarHBondContact O-N 3.22Å; A324-Y372 VanDerWaalsContact CB-CB 3.5Å; A324-L455 HydrophobicContact CB-CD1 4.15Å
325	L	94.9	Very high	91.9	Very high	31 Å²	31	52.3 Å²	52.3	16%	0.162	26%	0.259	C	S	.	.	H	α-helix	trans	-63.7	-43.4	176.1	179.8	63	0	0	0	112.1	Y321 H322 M323 K327 L328 K329 L455 P465	Y321-L325 HydrophobicContact CE1-CB 4.45Å; Y321-L325 HydrophobicContact CE1-CD2 4.09Å; Y321-L325 WeakPolarHBondContact O-CB 3.31Å; Y321-L325 PolarHBondContact O-N 2.94Å; H322-L325 PolarHBondContact O-N 2.78Å; M323-L325 VanDerWaalsContact C-N 3.34Å; M323-L325 PolarHBondContact O-N 3Å; L325-K327 VanDerWaalsContact C-N 3.33Å; L325-K327 PolarHBondContact O-N 2.7Å; L325-L328 PolarHBondContact O-N 3.24Å; L325-K329 WeakPolarHBondContact O-CG 3.48Å; L325-K329 PolarHBondContact O-N 3.44Å; L325-L455 HydrophobicContact CB-CD1 3.79Å; L325-L455 HydrophobicContact CD1-CD1 4.28Å; L325-P465 HydrophobicContact CD1-CG 3.68Å
326	Q	93.8	Very high	92.5	Very high	103 Å²	103	53.8 Å²	53.8	48%	0.481	27%	0.273	S	S	.	.	H	α-helix	trans	-62.4	-41.6	176.3	-172.7	-179.7	2	0	0	111.4	H322 M323 K329 Q330	H322-Q326 WeakPolarHBondContact O-CB 3.44Å; H322-Q326 PolarHBondContact O-N 2.87Å; M323-Q326 PolarHBondContact O-N 2.82Å; Q326-K329 PolarHBondContact O-N 3.37Å; Q326-Q330 WeakPolarHBondContact O-CG 3.41Å; Q326-Q330 PolarHBondContact O-N 2.83Å; Q326-Q330 VanDerWaalsContact O-N 3.09Å
327	K	94.8	Very high	92.7	Very high	64 Å²	64	58.6 Å²	58.6	28%	0.278	28%	0.279	S	S	.	.	H	α-helix	trans	-66.7	-38.8	175.4	-77.1	-169.3	168.7	-163.7	0	112.3	M323 A324 L325 Q330 T331 P374 D393 C396	M323-K327 PolarHBondContact O-N 3.05Å; A324-K327 PolarHBondContact O-N 2.8Å; L325-K327 VanDerWaalsContact C-N 3.33Å; L325-K327 PolarHBondContact O-N 2.7Å; K327-Q330 WeakPolarHBondContact O-CB 3.37Å; K327-Q330 PolarHBondContact O-N 3.38Å; K327-T331 PolarHBondContact O-N 3.06Å; K327-T331 PolarHBondContact O-OG1 2.81Å; K327-P374 HydrophobicContact CB-CB 4.08Å; K327-P374 HydrophobicContact CD-CB 3.37Å; K327-P374 HydrophobicContact CD-CG 3.56Å; K327-P374 HydrophobicContact CG-CB 4.36Å; K327-D393 IonicContact NZ-OD2 3.32Å; K327-C396 PolarHBondContact NZ-SG 3.24Å
328	L	94.8	Very high	92.6	Very high	4 Å²	4	61.4 Å²	61.4	2%	0.021	29%	0.294	C	S	.	.	H	α-helix	trans	-58.9	-49.1	172.8	177.2	63.7	0	0	0	110.8	A324 L325 Q330 T331 E332 L455 W456 P465	A324-L328 PolarHBondContact O-N 3.22Å; L325-L328 PolarHBondContact O-N 3.24Å; L328-Q330 VanDerWaalsContact C-N 3.26Å; L328-Q330 PolarHBondContact O-N 2.67Å; L328-T331 CarbonylContact O-C 3.45Å; L328-T331 WeakPolarHBondContact O-CA 3.44Å; L328-T331 WeakPolarHBondContact O-CB 3.19Å; L328-T331 PolarHBondContact O-N 2.99Å; L328-E332 HydrophobicContact CD1-CG 4.2Å; L328-E332 HydrophobicContact CG-CG 4.3Å; L328-E332 WeakPolarHBondContact O-CG 3.41Å; L328-E332 PolarHBondContact O-N 2.82Å; L328-L455 HydrophobicContact CD2-CB 3.8Å; L328-W456 HydrophobicContact CD1-CE3 4.4Å; L328-P465 HydrophobicContact CD2-CB 3.74Å; L328-P465 HydrophobicContact CD2-CG 4.05Å
329	K	93	Very high	92.5	Very high	114 Å²	114	64 Å²	64	50%	0.496	32%	0.318	S	S	.	.	H	α-helix	trans	-57.7	-37.8	176.9	-71.8	179.1	179.2	-176.1	0	112.6	L325 Q326 A333	L325-K329 WeakPolarHBondContact O-CG 3.48Å; L325-K329 PolarHBondContact O-N 3.44Å; Q326-K329 PolarHBondContact O-N 3.37Å; K329-A333 WeakPolarHBondContact O-CB 3.39Å; K329-A333 PolarHBondContact O-N 2.69Å
330	Q	92.5	Very high	92.3	Very high	114 Å²	114	62.6 Å²	62.6	53%	0.533	32%	0.316	S	S	.	.	H	α-helix	trans	-66.4	-42.7	174.2	-69.8	170.7	10.6	0	0	112	Q326 K327 L328 A333 R334	Q326-Q330 WeakPolarHBondContact O-CG 3.41Å; Q326-Q330 PolarHBondContact O-N 2.83Å; Q326-Q330 VanDerWaalsContact O-N 3.09Å; K327-Q330 WeakPolarHBondContact O-CB 3.37Å; K327-Q330 PolarHBondContact O-N 3.38Å; L328-Q330 VanDerWaalsContact C-N 3.26Å; L328-Q330 PolarHBondContact O-N 2.67Å; Q330-A333 PolarHBondContact O-N 3.11Å; Q330-R334 PolarHBondContact O-N 2.87Å; Q330-R334 VanDerWaalsContact O-N 3.09Å
331	T	92.3	Very high	92.1	Very high	13 Å²	13	63.7 Å²	63.7	8%	0.08	32%	0.322	C	S	.	.	H	α-helix	trans	-61.1	-47.3	174.1	-67.6	0	0	0	0	110.6	K327 L328 A333 R334 L335 Y345 H375	K327-T331 PolarHBondContact O-N 3.06Å; K327-T331 PolarHBondContact O-OG1 2.81Å; L328-T331 CarbonylContact O-C 3.45Å; L328-T331 WeakPolarHBondContact O-CA 3.44Å; L328-T331 WeakPolarHBondContact O-CB 3.19Å; L328-T331 PolarHBondContact O-N 2.99Å; T331-A333 PolarHBondContact O-N 3.36Å; T331-R334 WeakPolarHBondContact O-CA 3.48Å; T331-R334 WeakPolarHBondContact O-CB 3.41Å; T331-R334 PolarHBondContact O-N 3.27Å; T331-L335 HydrophobicContact CG2-CD1 3.97Å; T331-L335 HydrophobicContact CG2-CG 4.21Å; T331-L335 WeakPolarHBondContact O-CG 3.48Å; T331-L335 PolarHBondContact O-N 3.23Å; T331-Y345 HydrophobicContact CG2-CE2 3.92Å; T331-H375 PolarHBondContact OG1-O 3.48Å
332	E	91.7	Very high	91.9	Very high	12 Å²	12	63.9 Å²	63.9	6%	0.056	33%	0.326	C	S	.	.	H	α-helix	trans	-59.5	-45	176.9	-72	173.9	156.5	0	0	112.4	L328 R334 L335 S336 R457 Q460	L328-E332 HydrophobicContact CD1-CG 4.2Å; L328-E332 HydrophobicContact CG-CG 4.3Å; L328-E332 WeakPolarHBondContact O-CG 3.41Å; L328-E332 PolarHBondContact O-N 2.82Å; E332-R334 PolarHBondContact O-N 3.24Å; E332-L335 PolarHBondContact O-N 3.2Å; E332-S336 PolarHBondContact O-N 3.08Å; E332-S336 PolarHBondContact O-OG 3.41Å; E332-R457 WeakPolarHBondContact OE1-CG 3.42Å; E332-R457 IonicContact OE1-CZ 3.49Å; E332-R457 IonicContact OE1-NE 2.8Å; E332-R457 PolarHBondContact OE1-NE 3.29Å; E332-R457 IonicContact OE1-NH2 3.15Å; E332-R457 PolarHBondContact OE1-NH2 2.89Å; E332-R457 IonicContact OE2-CZ 3.78Å; E332-R457 IonicContact OE2-NE 3.28Å; E332-R457 IonicContact OE2-NH2 2.96Å; E332-R457 PolarHBondContact OE2-NH2 3.31Å; E332-Q460 HydrophobicContact CB-CG 4.25Å; E332-Q460 HydrophobicContact CG-CG 4.44Å; E332-Q460 PolarHBondContact O-NE2 2.78Å; E332-Q460 VanDerWaalsContact O-NE2 3.12Å
333	A	90.2	Very high	91.8	Very high	39 Å²	39	60.7 Å²	60.7	32%	0.322	32%	0.323	S	S	.	.	H	α-helix	trans	-64.4	-24.2	175.7	0	0	0	0	0	113.2	K329 Q330 T331 S336 R337	K329-A333 WeakPolarHBondContact O-CB 3.39Å; K329-A333 PolarHBondContact O-N 2.69Å; Q330-A333 PolarHBondContact O-N 3.11Å; T331-A333 PolarHBondContact O-N 3.36Å; A333-S336 PolarHBondContact O-OG 2.81Å; A333-R337 WeakPolarHBondContact O-CG 3.37Å; A333-R337 PolarHBondContact O-NE 3.06Å
334	R	89.5	Confident	91.6	Very high	102 Å²	102	60.1 Å²	60.1	39%	0.385	32%	0.322	S	S	.	.	H	α-helix	trans	-79.6	-44	171.8	-173.5	-179.8	73.7	170.6	10.3	111.1	Q330 T331 E332 S336 R337 M377	Q330-R334 PolarHBondContact O-N 2.87Å; Q330-R334 VanDerWaalsContact O-N 3.09Å; T331-R334 WeakPolarHBondContact O-CA 3.48Å; T331-R334 WeakPolarHBondContact O-CB 3.41Å; T331-R334 PolarHBondContact O-N 3.27Å; E332-R334 PolarHBondContact O-N 3.24Å; R334-S336 VanDerWaalsContact C-N 3.35Å; R334-R337 PolarHBondContact O-N 3.05Å; R334-M377 PolarHBondContact NH2-O 3.11Å
335	L	90.1	Very high	91.5	Very high	4 Å²	4	59.9 Å²	59.9	2%	0.021	32%	0.32	C	S	.	.	H	α-helix	trans	-65.8	-35.2	179.2	-65.9	178.3	0	0	0	112	T331 E332 R337 D338 L341 N342 Y345	T331-L335 HydrophobicContact CG2-CD1 3.97Å; T331-L335 HydrophobicContact CG2-CG 4.21Å; T331-L335 WeakPolarHBondContact O-CG 3.48Å; T331-L335 PolarHBondContact O-N 3.23Å; E332-L335 PolarHBondContact O-N 3.2Å; L335-R337 PolarHBondContact O-N 3.24Å; L335-R337 VanDerWaalsContact O-N 3.15Å; L335-D338 CarbonylContact O-C 3.52Å; L335-D338 PolarHBondContact O-N 2.78Å; L335-D338 VanDerWaalsContact O-N 3.07Å; L335-L341 HydrophobicContact CD2-CB 4.42Å; L335-L341 HydrophobicContact CD2-CD2 3.89Å; L335-L341 HydrophobicContact CD2-CG 3.88Å; L335-N342 HydrophobicContact CB-CB 4.08Å; L335-Y345 HydrophobicContact CD1-CD1 4.14Å; L335-Y345 HydrophobicContact CD1-CD2 3.82Å; L335-Y345 HydrophobicContact CD1-CE2 4.23Å; L335-Y345 HydrophobicContact CD1-CG 3.75Å; L335-Y345 HydrophobicContact CD2-CD2 3.78Å; L335-Y345 HydrophobicContact CD2-CG 4.21Å; L335-Y345 HydrophobicContact CG-CD2 4.38Å
336	S	87.7	Confident	91.4	Very high	72 Å²	72	59.9 Å²	59.9	50%	0.503	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-18.6	176.5	62.1	0	0	0	0	113.9	E332 A333 R334	E332-S336 PolarHBondContact O-N 3.08Å; E332-S336 PolarHBondContact O-OG 3.41Å; A333-S336 PolarHBondContact O-OG 2.81Å; R334-S336 VanDerWaalsContact C-N 3.35Å
337	R	89.7	Confident	91.4	Very high	209 Å²	209	61.2 Å²	61.2	79%	0.789	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.1	-13.6	176.8	-60.2	173.8	-167.5	167.8	3	113.3	A333 R334 L335	A333-R337 WeakPolarHBondContact O-CG 3.37Å; A333-R337 PolarHBondContact O-NE 3.06Å; R334-R337 PolarHBondContact O-N 3.05Å; L335-R337 PolarHBondContact O-N 3.24Å; L335-R337 VanDerWaalsContact O-N 3.15Å
338	D	89.3	Confident	91.3	Very high	66 Å²	66	59.8 Å²	59.8	35%	0.353	32%	0.321	S	S	.	.			trans	-140.2	96.1	-178	-175.7	-18.2	0	0	0	110.3	L335 S340 L341 N342	L335-D338 CarbonylContact O-C 3.52Å; L335-D338 PolarHBondContact O-N 2.78Å; L335-D338 VanDerWaalsContact O-N 3.07Å; D338-S340 PolarHBondContact O-N 3.31Å; D338-S340 WeakPolarHBondContact OD1-CB 3.5Å; D338-S340 PolarHBondContact OD1-N 3.42Å; D338-S340 PolarHBondContact OD1-OG 3.39Å; D338-L341 HydrophobicContact CB-CB 3.77Å; D338-L341 HydrophobicContact CB-CD2 4.49Å; D338-L341 PolarHBondContact O-N 3.3Å; D338-L341 PolarHBondContact OD1-N 3.44Å; D338-L341 WeakPolarHBondContact OD2-CB 3.49Å; D338-N342 PolarHBondContact O-N 3Å
339	A	89.8	Confident	91.3	Very high	82 Å²	82	59.6 Å²	59.6	68%	0.678	32%	0.32	S	S	*	.	H	α-helix	trans	-59.4	-33.8	-178.6	0	0	0	0	0	113	N342 A343	A339-N342 PolarHBondContact O-N 3.41Å; A339-A343 WeakPolarHBondContact O-CB 3.27Å; A339-A343 PolarHBondContact O-N 3.15Å
340	S	89.7	Confident	91.3	Very high	76 Å²	76	57.7 Å²	57.7	53%	0.531	32%	0.315	S	S	.	.	H	α-helix	trans	-69.7	-42.1	179.4	76.8	0	0	0	0	111.2	D338 A344	D338-S340 PolarHBondContact O-N 3.31Å; D338-S340 WeakPolarHBondContact OD1-CB 3.5Å; D338-S340 PolarHBondContact OD1-N 3.42Å; D338-S340 PolarHBondContact OD1-OG 3.39Å; S340-A344 WeakPolarHBondContact O-CB 3.12Å; S340-A344 PolarHBondContact O-N 3.5Å
341	L	89.9	Confident	91.4	Very high	23 Å²	23	55.4 Å²	55.4	12%	0.12	30%	0.303	C	S	.	.	H	α-helix	trans	-66.2	-40.6	175.9	-167.3	75.5	0	0	0	110.8	L335 D338 A344 Y345 M377 V379 Y388	L335-L341 HydrophobicContact CD2-CB 4.42Å; L335-L341 HydrophobicContact CD2-CD2 3.89Å; L335-L341 HydrophobicContact CD2-CG 3.88Å; D338-L341 HydrophobicContact CB-CB 3.77Å; D338-L341 HydrophobicContact CB-CD2 4.49Å; D338-L341 PolarHBondContact O-N 3.3Å; D338-L341 PolarHBondContact OD1-N 3.44Å; D338-L341 WeakPolarHBondContact OD2-CB 3.49Å; L341-A344 PolarHBondContact O-N 2.72Å; L341-Y345 WeakPolarHBondContact O-CB 3.29Å; L341-Y345 PolarHBondContact O-N 2.87Å; L341-M377 HydrophobicContact CB-CE 4.41Å; L341-M377 HydrophobicContact CD1-CE 3.1Å; L341-M377 HydrophobicContact CG-CE 3.51Å; L341-M377 VanDerWaalsContact O-CE 3.29Å; L341-M377 WeakPolarHBondContact O-CE 3.46Å; L341-V379 HydrophobicContact CD1-CG2 3.67Å; L341-Y388 HydrophobicContact CD1-CE1 4.4Å
342	N	91.5	Very high	91.5	Very high	54 Å²	54	56 Å²	56	29%	0.289	30%	0.304	S	S	.	.	H	α-helix	trans	-61.4	-50.2	176.3	-166.6	16.4	0	0	0	111.8	L335 D338 A339 A344 Y345 C346	L335-N342 HydrophobicContact CB-CB 4.08Å; D338-N342 PolarHBondContact O-N 3Å; A339-N342 PolarHBondContact O-N 3.41Å; N342-A344 VanDerWaalsContact C-N 3.31Å; N342-A344 PolarHBondContact O-N 3.43Å; N342-Y345 WeakPolarHBondContact O-CB 3.34Å; N342-Y345 PolarHBondContact O-N 2.63Å; N342-Y345 VanDerWaalsContact O-N 3.08Å; N342-C346 PolarHBondContact O-N 2.91Å; N342-C346 PolarHBondContact O-SG 3Å; N342-C346 VanDerWaalsContact O-SG 3.42Å
343	A	91.8	Very high	91.6	Very high	65 Å²	65	58.3 Å²	58.3	54%	0.537	32%	0.316	S	S	.	.	H	α-helix	trans	-58.5	-42.8	177.6	0	0	0	0	0	112.2	A339 K347	A339-A343 WeakPolarHBondContact O-CB 3.27Å; A339-A343 PolarHBondContact O-N 3.15Å; A343-K347 VanDerWaalsContact O-CB 3.3Å; A343-K347 WeakPolarHBondContact O-CB 3.46Å; A343-K347 PolarHBondContact O-N 3.42Å
344	A	91.5	Very high	91.8	Very high	11 Å²	11	65.4 Å²	65.4	9%	0.091	34%	0.335	C	S	.	.	H	α-helix	trans	-63.5	-41.3	174.9	0	0	0	0	0	112.2	S340 L341 N342 K347 E348 M377 Y388	S340-A344 WeakPolarHBondContact O-CB 3.12Å; S340-A344 PolarHBondContact O-N 3.5Å; L341-A344 PolarHBondContact O-N 2.72Å; N342-A344 VanDerWaalsContact C-N 3.31Å; N342-A344 PolarHBondContact O-N 3.43Å; A344-K347 PolarHBondContact O-N 3.04Å; A344-E348 WeakPolarHBondContact O-CG 3.37Å; A344-E348 PolarHBondContact O-N 2.85Å; A344-M377 HydrophobicContact CB-CE 4.01Å; A344-Y388 HydrophobicContact CB-CD1 3.86Å; A344-Y388 HydrophobicContact CB-CD2 3.81Å; A344-Y388 HydrophobicContact CB-CE1 3.86Å; A344-Y388 HydrophobicContact CB-CE2 3.83Å; A344-Y388 HydrophobicContact CB-CG 3.82Å
345	Y	93.3	Very high	92	Very high	0 Å²	0	64.4 Å²	64.4	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-61.5	-51.2	177.8	-156.9	-72.4	0	0	0	112.1	T331 L335 L341 N342 K347 E348 M349 H375 M377 I390 W456	T331-Y345 HydrophobicContact CG2-CE2 3.92Å; L335-Y345 HydrophobicContact CD1-CD1 4.14Å; L335-Y345 HydrophobicContact CD1-CD2 3.82Å; L335-Y345 HydrophobicContact CD1-CE2 4.23Å; L335-Y345 HydrophobicContact CD1-CG 3.75Å; L335-Y345 HydrophobicContact CD2-CD2 3.78Å; L335-Y345 HydrophobicContact CD2-CG 4.21Å; L335-Y345 HydrophobicContact CG-CD2 4.38Å; L341-Y345 WeakPolarHBondContact O-CB 3.29Å; L341-Y345 PolarHBondContact O-N 2.87Å; N342-Y345 WeakPolarHBondContact O-CB 3.34Å; N342-Y345 PolarHBondContact O-N 2.63Å; N342-Y345 VanDerWaalsContact O-N 3.08Å; Y345-K347 VanDerWaalsContact C-N 3.31Å; Y345-K347 PolarHBondContact O-N 3.06Å; Y345-E348 PolarHBondContact O-N 3.49Å; Y345-M349 HydrophobicContact CE1-CE 4.22Å; Y345-M349 PolarHBondContact O-N 3.38Å; Y345-H375 AromaticContact CE1-CE1 3.92Å; Y345-H375 AromaticContact CE1-ND1 3.85Å; Y345-H375 AromaticContact CZ-CE1 3.98Å; Y345-H375 AromaticContact CZ-ND1 3.64Å; Y345-H375 PolarHBondContact OH-CE1 3.49Å; Y345-H375 PolarHBondContact OH-ND1 2.82Å; Y345-H375 PolarHBondContact OH-O 2.98Å; Y345-M377 HydrophobicContact CD2-CB 3.47Å; Y345-M377 VanDerWaalsContact CD2-CB 3.47Å; Y345-M377 HydrophobicContact CD2-CE 4.31Å; Y345-M377 HydrophobicContact CD2-CG 4.36Å; Y345-M377 HydrophobicContact CD2-SD 4.02Å; Y345-M377 HydrophobicContact CE2-CB 3.57Å; Y345-M377 HydrophobicContact CG-SD 4.46Å; Y345-I390 HydrophobicContact CD1-CD1 4.23Å; Y345-I390 HydrophobicContact CE1-CD1 4.12Å; Y345-W456 AromaticContact CD1-CH2 3.36Å; Y345-W456 HydrophobicContact CD1-CH2 3.36Å; Y345-W456 HydrophobicContact CD1-CZ2 4.29Å; Y345-W456 AromaticContact CD1-CZ3 3.58Å; Y345-W456 HydrophobicContact CD1-CZ3 3.58Å; Y345-W456 HydrophobicContact CE1-CE3 4.11Å; Y345-W456 AromaticContact CE1-CH2 3.64Å; Y345-W456 HydrophobicContact CE1-CH2 3.64Å; Y345-W456 AromaticContact CE1-CZ3 3.31Å; Y345-W456 HydrophobicContact CE1-CZ3 3.31Å; Y345-W456 HydrophobicContact CG-CH2 4.48Å
346	C	93.1	Very high	92.2	Very high	30 Å²	30	65.8 Å²	65.8	20%	0.203	35%	0.353	C	S	.	.	H	α-helix	trans	-60.5	-42.4	177.8	-64.4	0	0	0	0	111.1	N342 E348 M349 N350	N342-C346 PolarHBondContact O-N 2.91Å; N342-C346 PolarHBondContact O-SG 3Å; N342-C346 VanDerWaalsContact O-SG 3.42Å; C346-E348 PolarHBondContact O-N 3.25Å; C346-M349 PolarHBondContact O-N 2.85Å; C346-N350 VanDerWaalsContact O-CB 3.29Å; C346-N350 WeakPolarHBondContact O-CB 3.49Å; C346-N350 PolarHBondContact O-N 2.79Å; C346-N350 PolarHBondContact O-ND2 2.87Å
347	K	93.2	Very high	92.5	Very high	132 Å²	132	63.5 Å²	63.5	57%	0.574	33%	0.333	S	S	*	.	H	α-helix	trans	-59.5	-46.8	176.6	-178.2	178.6	179.7	177.3	0	111.8	A343 A344 Y345 K351	A343-K347 VanDerWaalsContact O-CB 3.3Å; A343-K347 WeakPolarHBondContact O-CB 3.46Å; A343-K347 PolarHBondContact O-N 3.42Å; A344-K347 PolarHBondContact O-N 3.04Å; Y345-K347 VanDerWaalsContact C-N 3.31Å; Y345-K347 PolarHBondContact O-N 3.06Å; K347-K351 WeakPolarHBondContact O-CG 3.43Å; K347-K351 PolarHBondContact O-N 3.12Å
348	E	92.9	Very high	92.9	Very high	34 Å²	34	53.8 Å²	53.8	16%	0.159	30%	0.297	C	S	.	.	H	α-helix	trans	-66.6	-45.9	178.1	-68.4	-48.2	124	0	0	111.6	A344 Y345 C346 N350 K351 Y352 I390	A344-E348 WeakPolarHBondContact O-CG 3.37Å; A344-E348 PolarHBondContact O-N 2.85Å; Y345-E348 PolarHBondContact O-N 3.49Å; C346-E348 PolarHBondContact O-N 3.25Å; E348-N350 VanDerWaalsContact C-N 3.32Å; E348-N350 PolarHBondContact O-N 3.36Å; E348-K351 VanDerWaalsContact CD-NZ 3.27Å; E348-K351 WeakPolarHBondContact O-CA 3.42Å; E348-K351 VanDerWaalsContact O-CB 3.28Å; E348-K351 WeakPolarHBondContact O-CB 3.01Å; E348-K351 PolarHBondContact O-N 2.94Å; E348-K351 WeakPolarHBondContact OE1-CE 3.33Å; E348-K351 IonicContact OE1-NZ 3.49Å; E348-K351 PolarHBondContact OE1-NZ 2.83Å; E348-K351 WeakPolarHBondContact OE2-CD 3.45Å; E348-K351 IonicContact OE2-NZ 3.6Å; E348-K351 PolarHBondContact OE2-NZ 2.99Å; E348-K351 VanDerWaalsContact OE2-NZ 3.08Å; E348-Y352 WeakPolarHBondContact O-CD2 3.41Å; E348-Y352 PolarHBondContact O-N 3.37Å; E348-I390 HydrophobicContact CB-CD1 3.82Å; E348-I390 HydrophobicContact CB-CG1 4.1Å
349	M	94.2	Very high	93.2	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-60.2	-42	178	-169.1	62.8	82	0	0	112.1	Y345 C346 K351 Y352 I353 H375 I390 F392 F454 W456	Y345-M349 HydrophobicContact CE1-CE 4.22Å; Y345-M349 PolarHBondContact O-N 3.38Å; C346-M349 PolarHBondContact O-N 2.85Å; M349-K351 PolarHBondContact O-N 2.82Å; M349-Y352 WeakPolarHBondContact O-CB 3.34Å; M349-Y352 PolarHBondContact O-N 3.35Å; M349-I353 HydrophobicContact CG-CD1 4.45Å; M349-I353 PolarHBondContact O-N 3.29Å; M349-H375 WeakPolarHBondContact CE-ND1 3.39Å; M349-I390 HydrophobicContact CB-CD1 4.04Å; M349-I390 HydrophobicContact CE-CD1 4.04Å; M349-I390 HydrophobicContact SD-CD1 4.41Å; M349-F392 HydrophobicContact CE-CE1 4.44Å; M349-F392 HydrophobicContact CE-CZ 4.17Å; M349-F392 HydrophobicContact SD-CZ 4.35Å; M349-F454 HydrophobicContact CE-CD2 4.23Å; M349-F454 HydrophobicContact CE-CE2 3.7Å; M349-F454 HydrophobicContact CE-CZ 4.49Å; M349-F454 HydrophobicContact SD-CE2 3.6Å; M349-F454 VanDerWaalsContact SD-CE2 3.6Å; M349-F454 HydrophobicContact SD-CZ 3.91Å; M349-W456 HydrophobicContact CB-CZ2 4.02Å; M349-W456 HydrophobicContact CE-CD2 4.11Å; M349-W456 HydrophobicContact CE-CE3 4.14Å; M349-W456 HydrophobicContact CE-CG 4.36Å; M349-W456 HydrophobicContact CG-CD2 3.87Å; M349-W456 HydrophobicContact CG-CG 3.95Å; M349-W456 HydrophobicContact CG-CZ2 4.17Å
350	N	94	Very high	93.5	Very high	73 Å²	73	54.7 Å²	54.7	39%	0.39	28%	0.283	S	S	.	.	H	α-helix	trans	-64.3	-19.5	175.1	-72.9	-16.6	0	0	0	113.2	C346 E348 R354	C346-N350 VanDerWaalsContact O-CB 3.29Å; C346-N350 WeakPolarHBondContact O-CB 3.49Å; C346-N350 PolarHBondContact O-N 2.79Å; C346-N350 PolarHBondContact O-ND2 2.87Å; E348-N350 VanDerWaalsContact C-N 3.32Å; E348-N350 PolarHBondContact O-N 3.36Å; N350-R354 VanDerWaalsContact O-CB 3.3Å; N350-R354 WeakPolarHBondContact O-CB 3.37Å; N350-R354 VanDerWaalsContact O-CG 3.31Å; N350-R354 WeakPolarHBondContact O-CG 3.39Å; N350-R354 PolarHBondContact O-N 2.92Å; N350-R354 VanDerWaalsContact O-N 3.08Å; N350-R354 PolarHBondContact O-NE 3.19Å
351	K	93.2	Very high	93.7	Very high	66 Å²	66	51.4 Å²	51.4	29%	0.287	26%	0.26	S	S	.	.	H	α-helix	trans	-73.3	-39.1	168.9	-68.2	172.1	-176.7	172.6	0	111.5	K347 E348 M349 I353 N355	K347-K351 WeakPolarHBondContact O-CG 3.43Å; K347-K351 PolarHBondContact O-N 3.12Å; E348-K351 VanDerWaalsContact CD-NZ 3.27Å; E348-K351 WeakPolarHBondContact O-CA 3.42Å; E348-K351 VanDerWaalsContact O-CB 3.28Å; E348-K351 WeakPolarHBondContact O-CB 3.01Å; E348-K351 PolarHBondContact O-N 2.94Å; E348-K351 WeakPolarHBondContact OE1-CE 3.33Å; E348-K351 IonicContact OE1-NZ 3.49Å; E348-K351 PolarHBondContact OE1-NZ 2.83Å; E348-K351 WeakPolarHBondContact OE2-CD 3.45Å; E348-K351 IonicContact OE2-NZ 3.6Å; E348-K351 PolarHBondContact OE2-NZ 2.99Å; E348-K351 VanDerWaalsContact OE2-NZ 3.08Å; M349-K351 PolarHBondContact O-N 2.82Å; K351-I353 VanDerWaalsContact C-N 3.31Å; K351-I353 PolarHBondContact O-N 2.79Å; K351-N355 WeakPolarHBondContact O-CB 3.43Å; K351-N355 PolarHBondContact O-N 3.08Å; K351-N355 PolarHBondContact O-ND2 3.25Å
352	Y	94.3	Very high	93.7	Very high	26 Å²	26	57.2 Å²	57.2	10%	0.102	29%	0.291	C	S	.	.	H	α-helix	trans	-60.7	-45.4	176.4	-77.4	-105.7	0	0	0	110.7	E348 M349 G356 W357 V358 F392 M440 F470	E348-Y352 WeakPolarHBondContact O-CD2 3.41Å; E348-Y352 PolarHBondContact O-N 3.37Å; M349-Y352 WeakPolarHBondContact O-CB 3.34Å; M349-Y352 PolarHBondContact O-N 3.35Å; Y352-G356 PolarHBondContact O-N 3.18Å; Y352-W357 HydrophobicContact CD1-CB 4.44Å; Y352-W357 AromaticContact CD1-CE3 3.74Å; Y352-W357 HydrophobicContact CD1-CE3 3.74Å; Y352-W357 HydrophobicContact CD1-CZ3 4.47Å; Y352-W357 HydrophobicContact CD2-CE3 4.36Å; Y352-W357 HydrophobicContact CD2-CZ3 4.39Å; Y352-W357 HydrophobicContact CE1-CE3 4.11Å; Y352-W357 AromaticContact CG-CE3 3.86Å; Y352-W357 HydrophobicContact CG-CE3 3.86Å; Y352-W357 HydrophobicContact CG-CZ3 4.33Å; Y352-W357 PolarHBondContact O-N 3.08Å; Y352-W357 VanDerWaalsContact O-N 3.16Å; Y352-V358 HydrophobicContact CD1-CG1 4.18Å; Y352-F392 HydrophobicContact CD1-CE2 4.45Å; Y352-F392 AromaticContact CE1-CE2 3.92Å; Y352-F392 HydrophobicContact CE1-CE2 3.92Å; Y352-M440 HydrophobicContact CE1-CE 4.3Å; Y352-F470 AromaticContact CD1-CE1 3.82Å; Y352-F470 HydrophobicContact CD1-CE1 3.82Å; Y352-F470 HydrophobicContact CD1-CZ 4.24Å; Y352-F470 AromaticContact CE1-CE1 3.81Å; Y352-F470 HydrophobicContact CE1-CE1 3.81Å; Y352-F470 HydrophobicContact CE1-CZ 4.13Å
353	I	94.7	Very high	93.3	Very high	60 Å²	60	59.9 Å²	59.9	31%	0.308	30%	0.302	S	S	.	.	H	α-helix	trans	-65	-53.6	179.5	-60	168.9	0	0	0	110.7	M349 K351 N355 G356 V358 F468	M349-I353 HydrophobicContact CG-CD1 4.45Å; M349-I353 PolarHBondContact O-N 3.29Å; K351-I353 VanDerWaalsContact C-N 3.31Å; K351-I353 PolarHBondContact O-N 2.79Å; I353-N355 VanDerWaalsContact C-N 3.3Å; I353-N355 PolarHBondContact O-N 3.03Å; I353-G356 PolarHBondContact O-N 3.34Å; I353-V358 HydrophobicContact CB-CG2 4.42Å; I353-V358 HydrophobicContact CG1-CG2 3.8Å; I353-F468 HydrophobicContact CD1-CE1 3.77Å; I353-F468 HydrophobicContact CD1-CZ 3.84Å; I353-F468 HydrophobicContact CG1-CD1 4.33Å; I353-F468 HydrophobicContact CG1-CE1 3.87Å; I353-F468 HydrophobicContact CG1-CZ 4.44Å
354	R	95.2	Very high	93.1	Very high	188 Å²	188	66.5 Å²	66.5	71%	0.709	32%	0.319	S	S	*	.	H	α-helix	trans	-63.1	-31.9	-177.2	-77.9	-175.7	-64.5	162.2	-0.8	114.3	N350 G356	N350-R354 VanDerWaalsContact O-CB 3.3Å; N350-R354 WeakPolarHBondContact O-CB 3.37Å; N350-R354 VanDerWaalsContact O-CG 3.31Å; N350-R354 WeakPolarHBondContact O-CG 3.39Å; N350-R354 PolarHBondContact O-N 2.92Å; N350-R354 VanDerWaalsContact O-N 3.08Å; N350-R354 PolarHBondContact O-NE 3.19Å; R354-G356 PolarHBondContact O-N 3Å
355	N	93	Very high	92.7	Very high	81 Å²	81	66.6 Å²	66.6	43%	0.433	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.2	2.3	177.7	-67.5	-60.6	0	0	0	113	K351 I353 W357	K351-N355 WeakPolarHBondContact O-CB 3.43Å; K351-N355 PolarHBondContact O-N 3.08Å; K351-N355 PolarHBondContact O-ND2 3.25Å; I353-N355 VanDerWaalsContact C-N 3.3Å; I353-N355 PolarHBondContact O-N 3.03Å; N355-W357 HydrophobicContact CB-CD2 3.8Å; N355-W357 HydrophobicContact CB-CE3 4.38Å; N355-W357 HydrophobicContact CB-CG 4.18Å; N355-W357 HydrophobicContact CB-CH2 4.09Å; N355-W357 HydrophobicContact CB-CZ2 3.52Å; N355-W357 VanDerWaalsContact ND2-CH2 3.34Å; N355-W357 WeakPolarHBondContact ND2-CH2 3.42Å; N355-W357 PolarHBondContact O-N 2.66Å
356	G	93.9	Very high	92.4	Very high	34 Å²	34	72.5 Å²	72.5	35%	0.351	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.4	19.5	178.9	0	0	0	0	0	114.4	Y352 I353 R354 T471	Y352-G356 PolarHBondContact O-N 3.18Å; I353-G356 PolarHBondContact O-N 3.34Å; R354-G356 PolarHBondContact O-N 3Å; G356-T471 PolarHBondContact O-OG1 2.95Å
357	W	95.1	Very high	92	Very high	23 Å²	23	79.9 Å²	79.9	9%	0.087	38%	0.383	C	S	.	.	S	Bend	trans	-75.6	-18.8	175.1	-55.6	-27.3	0	0	0	112.6	Y352 N355 K437 M440 F470 T471 R472	Y352-W357 HydrophobicContact CD1-CB 4.44Å; Y352-W357 AromaticContact CD1-CE3 3.74Å; Y352-W357 HydrophobicContact CD1-CE3 3.74Å; Y352-W357 HydrophobicContact CD1-CZ3 4.47Å; Y352-W357 HydrophobicContact CD2-CE3 4.36Å; Y352-W357 HydrophobicContact CD2-CZ3 4.39Å; Y352-W357 HydrophobicContact CE1-CE3 4.11Å; Y352-W357 AromaticContact CG-CE3 3.86Å; Y352-W357 HydrophobicContact CG-CE3 3.86Å; Y352-W357 HydrophobicContact CG-CZ3 4.33Å; Y352-W357 PolarHBondContact O-N 3.08Å; Y352-W357 VanDerWaalsContact O-N 3.16Å; N355-W357 HydrophobicContact CB-CD2 3.8Å; N355-W357 HydrophobicContact CB-CE3 4.38Å; N355-W357 HydrophobicContact CB-CG 4.18Å; N355-W357 HydrophobicContact CB-CH2 4.09Å; N355-W357 HydrophobicContact CB-CZ2 3.52Å; N355-W357 VanDerWaalsContact ND2-CH2 3.34Å; N355-W357 WeakPolarHBondContact ND2-CH2 3.42Å; N355-W357 PolarHBondContact O-N 2.66Å; W357-K437 HydrophobicContact CH2-CD 3.31Å; W357-K437 VanDerWaalsContact CH2-CE 3.42Å; W357-K437 HydrophobicContact CZ2-CD 3.27Å; W357-K437 VanDerWaalsContact CZ2-NZ 3.34Å; W357-K437 HydrophobicContact CZ3-CD 4.33Å; W357-M440 HydrophobicContact CB-SD 3.98Å; W357-M440 HydrophobicContact CD2-CB 4.05Å; W357-M440 HydrophobicContact CD2-CG 4.02Å; W357-M440 HydrophobicContact CD2-SD 4.13Å; W357-M440 HydrophobicContact CE3-CG 4.26Å; W357-M440 HydrophobicContact CE3-SD 4.3Å; W357-M440 HydrophobicContact CG-CB 4.12Å; W357-M440 HydrophobicContact CG-CG 4.29Å; W357-M440 HydrophobicContact CG-SD 3.98Å; W357-F470 WeakPolarHBondContact O-CA 3.3Å; W357-T471 WeakPolarHBondContact CA-OG1 3.31Å; W357-T471 PolarHBondContact O-N 3.04Å; W357-T471 PolarHBondContact O-OG1 3.29Å; W357-T471 VanDerWaalsContact O-OG1 3.1Å; W357-R472 HydrophobicContact CB-CG 4.32Å; W357-R472 HydrophobicContact CG-CG 4.49Å
358	V	96.9	Very high	91.7	Very high	5 Å²	5	73.9 Å²	73.9	3%	0.03	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	148.9	174.5	-56.5	0	0	0	0	108.4	Y352 I353 F454 F468 R469 F470	Y352-V358 HydrophobicContact CD1-CG1 4.18Å; I353-V358 HydrophobicContact CB-CG2 4.42Å; I353-V358 HydrophobicContact CG1-CG2 3.8Å; V358-F454 HydrophobicContact CB-CE1 4.06Å; V358-F454 HydrophobicContact CB-CZ 4.15Å; V358-F454 HydrophobicContact CG1-CE1 3.65Å; V358-F454 HydrophobicContact CG1-CZ 3.94Å; V358-F454 HydrophobicContact CG2-CZ 4.19Å; V358-F468 HydrophobicContact CG2-CD1 4.16Å; V358-R469 CarbonylContact C-O 3.58Å; V358-R469 WeakPolarHBondContact CA-O 3.42Å; V358-F470 HydrophobicContact CG1-CD1 3.72Å; V358-F470 HydrophobicContact CG1-CD2 4.36Å; V358-F470 HydrophobicContact CG1-CE1 3.79Å; V358-F470 HydrophobicContact CG1-CE2 4.42Å; V358-F470 HydrophobicContact CG1-CG 4.02Å; V358-F470 HydrophobicContact CG1-CZ 4.15Å
359	E	96.3	Very high	91.6	Very high	57 Å²	57	74.8 Å²	74.8	27%	0.266	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	146.1	174.9	67	-170.6	-177.2	0	0	109.7	R449 F468 R469 T471	E359-R449 VanDerWaalsContact CD-NH1 3.31Å; E359-R449 IonicContact OE1-CZ 3.38Å; E359-R449 IonicContact OE1-NH1 3.71Å; E359-R449 PolarHBondContact OE1-NH1 3.47Å; E359-R449 IonicContact OE2-NH1 3.79Å; E359-R449 PolarHBondContact OE2-NH1 3.44Å; E359-F468 CarbonylContact O-C 3.54Å; E359-F468 VanDerWaalsContact O-CA 3.23Å; E359-F468 WeakPolarHBondContact O-CA 3.48Å; E359-R469 HydrophobicContact CG-CG 3.77Å; E359-R469 PolarHBondContact N-O 3.49Å; E359-R469 PolarHBondContact O-N 3.19Å; E359-R469 IonicContact OE1-CZ 2.67Å; E359-R469 VanDerWaalsContact OE1-CZ 3.27Å; E359-R469 IonicContact OE1-NE 2.97Å; E359-R469 PolarHBondContact OE1-NE 3.35Å; E359-R469 IonicContact OE1-NH2 3.72Å; E359-R469 PolarHBondContact OE1-NH2 2.97Å; E359-T471 HydrophobicContact CB-CG2 3.89Å; E359-T471 HydrophobicContact CG-CG2 3.74Å; E359-T471 WeakPolarHBondContact OE2-CG2 3.24Å
360	K	95.9	Very high	91.5	Very high	110 Å²	110	75.8 Å²	75.8	48%	0.478	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	136.1	170.7	-176.7	177	175	179.6	0	108.5	E466 V467 F468	K360-E466 VanDerWaalsContact CE-OE1 3.25Å; K360-E466 WeakPolarHBondContact CE-OE1 3.29Å; K360-E466 IonicContact NZ-OE1 3.66Å; K360-E466 PolarHBondContact NZ-OE1 3.06Å; K360-V467 WeakPolarHBondContact CA-O 3.25Å; K360-F468 HydrophobicContact CB-CD1 4.18Å; K360-F468 HydrophobicContact CB-CE1 3.94Å; K360-F468 HydrophobicContact CB-CZ 4.47Å
361	T	94.1	Very high	91.6	Very high	8 Å²	8	72.3 Å²	72.3	5%	0.049	35%	0.348	C	S	.	.			trans	-129.4	133.2	176	-175.8	0	0	0	0	111.3	Q363 V467 R469	T361-Q363 PolarHBondContact OG1-N 3.36Å; T361-Q363 VanDerWaalsContact OG1-N 3.17Å; T361-V467 HydrophobicContact CG2-CB 4.34Å; T361-V467 HydrophobicContact CG2-CG1 3.8Å; T361-V467 PolarHBondContact N-O 2.73Å; T361-R469 HydrophobicContact CG2-CB 4.45Å; T361-R469 HydrophobicContact CG2-CG 4.13Å
362	N	89.2	Confident	91.8	Very high	145 Å²	145	70.2 Å²	70.2	78%	0.775	34%	0.339	S	S	*	.			trans	-105.7	-1.1	168.6	-61.7	-29.6	0	0	0	111.3
363	Q	84.5	Confident	91.9	Very high	110 Å²	110	69 Å²	69	51%	0.514	33%	0.334	S	S	.	.	S	Bend	trans	-72.4	137.6	-176.1	-65.2	175.9	-9	0	0	110.1	T361 G365 R453	T361-Q363 PolarHBondContact OG1-N 3.36Å; T361-Q363 VanDerWaalsContact OG1-N 3.17Å; Q363-G365 PolarHBondContact O-N 2.91Å; Q363-R453 PolarHBondContact O-NH1 2.78Å; Q363-R453 PolarHBondContact O-NH2 2.92Å
364	K	86.4	Confident	92	Very high	203 Å²	203	66.5 Å²	66.5	88%	0.883	32%	0.322	S	S	*	.	P	Polyproline II helix	trans	-67.7	118.9	169.5	-168.4	-178.4	179	-172.9	0	107.5
365	G	83.9	Confident	92	Very high	13 Å²	13	58 Å²	58	13%	0.134	29%	0.29	C	S	.	.	P	Polyproline II helix	trans	-72.1	159.2	177.7	0	0	0	0	0	111.2	Q363 E367 T370 D450 R453	Q363-G365 PolarHBondContact O-N 2.91Å; G365-E367 PolarHBondContact O-N 3.41Å; G365-T370 VanDerWaalsContact CA-OG1 3.24Å; G365-T370 WeakPolarHBondContact CA-OG1 3.28Å; G365-D450 VanDerWaalsContact CA-OD2 3.23Å; G365-D450 WeakPolarHBondContact CA-OD2 3.25Å; G365-R453 VanDerWaalsContact N-NH2 3.17Å
366	L	86.6	Confident	92	Very high	125 Å²	125	57.1 Å²	57.1	65%	0.654	28%	0.283	S	S	*	.	P	Polyproline II helix	trans	-65.7	132.7	177.6	-169	78.1	0	0	0	109.8	G368 R369 T370	L366-G368 PolarHBondContact O-N 3.29Å; L366-R369 HydrophobicContact CB-CB 4.22Å; L366-R369 HydrophobicContact CD2-CB 4.17Å; L366-R369 HydrophobicContact CD2-CG 4.02Å; L366-R369 CarbonylContact O-C 3.56Å; L366-R369 PolarHBondContact O-N 2.84Å; L366-T370 PolarHBondContact N-OG1 3.02Å; L366-T370 PolarHBondContact O-N 3.15Å; L366-T370 PolarHBondContact O-OG1 2.97Å
367	E	84	Confident	91.8	Very high	184 Å²	184	55.9 Å²	55.9	86%	0.86	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	136.5	176.5	-169.3	169	-177.1	0	0	110	G365 R369	G365-E367 PolarHBondContact O-N 3.41Å; E367-R369 PolarHBondContact O-N 2.87Å
368	G	86.8	Confident	91.5	Very high	7 Å²	7	57.2 Å²	57.2	7%	0.072	28%	0.279	C	S	.	.	B	Isolated β-bridge	trans	78.4	-16.1	-173.4	0	0	0	0	0	115.7	L317 L366	L317-G368 WeakPolarHBondContact CB-O 3.41Å; L317-G368 PolarHBondContact N-O 2.8Å; L317-G368 WeakPolarHBondContact O-CA 3.32Å; L366-G368 PolarHBondContact O-N 3.29Å
369	R	90.3	Very high	91.1	Very high	53 Å²	53	59 Å²	59	20%	0.2	29%	0.29	C	S	.	.	S	Bend	trans	-122.3	28.8	178.3	-61.8	-62.8	-171.5	123.1	-0.9	112.5	W310 E313 L366 E367 V451	W310-R369 VanDerWaalsContact CZ2-NH1 3.32Å; W310-R369 VanDerWaalsContact NE1-NH1 3.15Å; E313-R369 PolarHBondContact O-NH2 2.88Å; L366-R369 HydrophobicContact CB-CB 4.22Å; L366-R369 HydrophobicContact CD2-CB 4.17Å; L366-R369 HydrophobicContact CD2-CG 4.02Å; L366-R369 CarbonylContact O-C 3.56Å; L366-R369 PolarHBondContact O-N 2.84Å; E367-R369 PolarHBondContact O-N 2.87Å; R369-V451 VanDerWaalsContact O-CG1 3.22Å; R369-V451 WeakPolarHBondContact O-CG1 3.46Å
370	T	93.7	Very high	90.3	Very high	20 Å²	20	60.5 Å²	60.5	12%	0.123	29%	0.293	C	S	.	.			trans	-124.5	129.1	177.2	-58.5	0	0	0	0	109.5	G365 L366 Y372 D450	G365-T370 VanDerWaalsContact CA-OG1 3.24Å; G365-T370 WeakPolarHBondContact CA-OG1 3.28Å; L366-T370 PolarHBondContact N-OG1 3.02Å; L366-T370 PolarHBondContact O-N 3.15Å; L366-T370 PolarHBondContact O-OG1 2.97Å; T370-Y372 HydrophobicContact CG2-CE2 3.84Å; T370-D450 WeakPolarHBondContact CA-O 3.17Å
371	W	95.4	Very high	89.3	Confident	0 Å²	0	62.6 Å²	62.6	0%	0	30%	0.304	C	S	.	.			trans	-147.2	137.1	-179.6	-170.7	-96.9	0	0	0	111.9	L317 P318 N320 V401 D450 V451 R453	L317-W371 HydrophobicContact CB-CE3 3.91Å; L317-W371 HydrophobicContact CB-CZ3 4.29Å; L317-W371 HydrophobicContact CD1-CB 4.1Å; L317-W371 HydrophobicContact CD1-CE3 4.34Å; L317-W371 HydrophobicContact CD2-CE3 4.21Å; L317-W371 HydrophobicContact CD2-CZ3 4.27Å; L317-W371 HydrophobicContact CG-CE3 4.39Å; P318-W371 HydrophobicContact CG-CZ3 3.98Å; P318-W371 VanDerWaalsContact O-CZ3 3.31Å; P318-W371 WeakPolarHBondContact O-CZ3 3.48Å; N320-W371 HydrophobicContact CB-CD2 4.48Å; N320-W371 HydrophobicContact CB-CE3 4.14Å; N320-W371 HydrophobicContact CB-CH2 4.17Å; N320-W371 HydrophobicContact CB-CZ2 4.44Å; N320-W371 HydrophobicContact CB-CZ3 3.99Å; N320-W371 VanDerWaalsContact ND2-CD2 3.34Å; N320-W371 WeakPolarHBondContact ND2-CZ2 3.33Å; N320-W371 PolarHBondContact ND2-NE1 3.36Å; W371-V401 HydrophobicContact CH2-CG2 4.31Å; W371-V401 HydrophobicContact CZ3-CG2 4.45Å; W371-D450 PolarHBondContact N-O 3.06Å; W371-V451 HydrophobicContact CB-CB 4.3Å; W371-V451 WeakPolarHBondContact CB-O 3.35Å; W371-V451 CarbonylContact O-C 3.54Å; W371-R453 WeakPolarHBondContact O-CB 3.37Å; W371-R453 PolarHBondContact O-N 3.03Å
372	Y	96.8	Very high	87.9	Confident	23 Å²	23	68.2 Å²	68.2	9%	0.09	33%	0.334	C	S	.	.	B	Isolated β-bridge	trans	-106.2	111.5	-178.9	-60.9	-94.2	0	0	0	110.6	N320 Y321 A324 T370 P374 R453 L455 V467	N320-Y372 PolarHBondContact ND2-O 3Å; N320-Y372 WeakPolarHBondContact OD1-CB 3.45Å; N320-Y372 WeakPolarHBondContact OD1-CD2 3.36Å; N320-Y372 PolarHBondContact OD1-N 3.16Å; Y321-Y372 HydrophobicContact CD2-CD1 4.09Å; Y321-Y372 HydrophobicContact CD2-CD2 4.25Å; Y321-Y372 AromaticContact CD2-CE1 3.73Å; Y321-Y372 HydrophobicContact CD2-CE1 3.73Å; Y321-Y372 AromaticContact CD2-CE2 3.92Å; Y321-Y372 HydrophobicContact CD2-CE2 3.92Å; Y321-Y372 HydrophobicContact CD2-CG 4.35Å; Y321-Y372 AromaticContact CD2-CZ 3.65Å; Y321-Y372 HydrophobicContact CE2-CE1 4.25Å; Y321-Y372 HydrophobicContact CG-CE2 4.43Å; A324-Y372 VanDerWaalsContact CB-CB 3.5Å; T370-Y372 HydrophobicContact CG2-CE2 3.84Å; Y372-P374 WeakPolarHBondContact O-CD 3.43Å; Y372-R453 CarbonylContact C-O 3.58Å; Y372-R453 VanDerWaalsContact CA-O 3.26Å; Y372-R453 WeakPolarHBondContact CA-O 3.3Å; Y372-R453 HydrophobicContact CD1-CB 3.72Å; Y372-R453 HydrophobicContact CE1-CB 3.89Å; Y372-R453 HydrophobicContact CG-CB 4.31Å; Y372-L455 HydrophobicContact CD1-CD2 3.66Å; Y372-L455 HydrophobicContact CD1-CG 4.19Å; Y372-L455 HydrophobicContact CE1-CD2 3.87Å; Y372-V467 HydrophobicContact CD1-CG1 4.49Å; Y372-V467 HydrophobicContact CE1-CG1 3.77Å; Y372-V467 HydrophobicContact CE1-CG2 4.24Å
373	L	97	Very high	86.8	Confident	1 Å²	1	65.4 Å²	65.4	1%	0.005	32%	0.315	C	S	.	.			trans	-73.7	117.8	177.1	-58.6	178.6	0	0	0	110.3	F392 T394 L403 R453 F454 F470	L373-F392 HydrophobicContact CB-CB 4.3Å; L373-F392 HydrophobicContact CB-CD1 4.46Å; L373-F392 HydrophobicContact CD1-CB 4.1Å; L373-T394 HydrophobicContact CD1-CG2 4.25Å; L373-T394 HydrophobicContact CD2-CG2 3.8Å; L373-L403 HydrophobicContact CD2-CD2 4.04Å; L373-R453 PolarHBondContact N-O 2.73Å; L373-F454 WeakPolarHBondContact O-CB 3.36Å; L373-F470 HydrophobicContact CD1-CE2 4.39Å
374	P	96.4	Very high	85.5	Confident	6 Å²	6	66.5 Å²	66.5	4%	0.039	33%	0.329	C	S	.	.			trans	-64.5	148.8	165.7	-17.3	32.7	0	0	0	109.8	M323 K327 Y372 D393 C396	M323-P374 HydrophobicContact CE-CG 3.59Å; K327-P374 HydrophobicContact CB-CB 4.08Å; K327-P374 HydrophobicContact CD-CB 3.37Å; K327-P374 HydrophobicContact CD-CG 3.56Å; K327-P374 HydrophobicContact CG-CB 4.36Å; Y372-P374 WeakPolarHBondContact O-CD 3.43Å; P374-D393 PolarHBondContact O-N 3.32Å; P374-C396 HydrophobicContact CG-CB 3.97Å
375	H	95.8	Very high	84.3	Confident	10 Å²	10	61.8 Å²	61.8	5%	0.046	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	147.3	-179.5	62.7	111	0	0	0	111.8	T331 Y345 M349 I390 I391 F392 L455 W456	T331-H375 PolarHBondContact OG1-O 3.48Å; Y345-H375 AromaticContact CE1-CE1 3.92Å; Y345-H375 AromaticContact CE1-ND1 3.85Å; Y345-H375 AromaticContact CZ-CE1 3.98Å; Y345-H375 AromaticContact CZ-ND1 3.64Å; Y345-H375 PolarHBondContact OH-CE1 3.49Å; Y345-H375 PolarHBondContact OH-ND1 2.82Å; Y345-H375 PolarHBondContact OH-O 2.98Å; M349-H375 WeakPolarHBondContact CE-ND1 3.39Å; H375-I390 HydrophobicContact CB-CG2 4.02Å; H375-I391 WeakPolarHBondContact CA-O 3.35Å; H375-I391 WeakPolarHBondContact CB-O 3.47Å; H375-F392 HydrophobicContact CB-CD1 3.71Å; H375-F392 HydrophobicContact CB-CE1 3.91Å; H375-F392 HydrophobicContact CB-CG 4.24Å; H375-L455 PolarHBondContact NE2-O 3.29Å; H375-W456 AromaticContact CE1-CE3 3.72Å
376	H	92.3	Very high	83.5	Confident	62 Å²	62	63.9 Å²	63.9	29%	0.287	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	158	179.6	66.8	-81.2	0	0	0	110.3	I391	H376-I391 PolarHBondContact N-O 2.98Å; H376-I391 PolarHBondContact O-N 2.83Å
377	M	91.3	Very high	83.2	Confident	8 Å²	8	63.2 Å²	63.2	4%	0.039	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	138	178.1	-172.7	158.6	80.4	0	0	111.9	R334 L341 A344 Y345 Y388 R389	R334-M377 PolarHBondContact NH2-O 3.11Å; L341-M377 HydrophobicContact CB-CE 4.41Å; L341-M377 HydrophobicContact CD1-CE 3.1Å; L341-M377 HydrophobicContact CG-CE 3.51Å; L341-M377 VanDerWaalsContact O-CE 3.29Å; L341-M377 WeakPolarHBondContact O-CE 3.46Å; A344-M377 HydrophobicContact CB-CE 4.01Å; Y345-M377 HydrophobicContact CD2-CB 3.47Å; Y345-M377 VanDerWaalsContact CD2-CB 3.47Å; Y345-M377 HydrophobicContact CD2-CE 4.31Å; Y345-M377 HydrophobicContact CD2-CG 4.36Å; Y345-M377 HydrophobicContact CD2-SD 4.02Å; Y345-M377 HydrophobicContact CE2-CB 3.57Å; Y345-M377 HydrophobicContact CG-SD 4.46Å; M377-Y388 HydrophobicContact CE-CD1 3.55Å; M377-Y388 HydrophobicContact CE-CE1 4.09Å; M377-Y388 HydrophobicContact CE-CG 4.37Å; M377-Y388 HydrophobicContact SD-CD1 3.83Å; M377-Y388 HydrophobicContact SD-CG 4.17Å; M377-R389 WeakPolarHBondContact CA-O 3.24Å
378	V	88.9	Confident	83.4	Confident	51 Å²	51	57.1 Å²	57.1	31%	0.309	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	136.8	168.5	172.4	0	0	0	0	109.3	R389 I391	V378-R389 PolarHBondContact N-O 2.62Å; V378-R389 PolarHBondContact O-N 3.16Å; V378-I391 HydrophobicContact CB-CD1 4.09Å; V378-I391 HydrophobicContact CG2-CD1 3.33Å; V378-I391 HydrophobicContact CG2-CG1 4.06Å
379	V	87.3	Confident	83.4	Confident	42 Å²	42	61 Å²	61	26%	0.255	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	118.6	179.1	-172.9	0	0	0	0	109.2	L341 R387 Y388	L341-V379 HydrophobicContact CD1-CG2 3.67Å; V379-R387 CarbonylContact C-O 3.57Å; V379-R387 WeakPolarHBondContact CA-O 3.39Å; V379-R387 HydrophobicContact CG1-CG 3.99Å; V379-Y388 HydrophobicContact CG1-CD1 4.33Å; V379-Y388 HydrophobicContact CG1-CE1 4.03Å; V379-Y388 HydrophobicContact CG2-CD1 3.97Å; V379-Y388 HydrophobicContact CG2-CE1 3.98Å
380	R	79.3	Confident	83.5	Confident	90 Å²	90	58.9 Å²	58.9	34%	0.34	30%	0.295	S	S	.	.			trans	-97.4	98	175.2	-67.3	-172	-177.7	-167.5	0.8	109.3	D382 K383 R387 R389	R380-D382 PolarHBondContact O-N 3.3Å; R380-K383 HydrophobicContact CB-CB 4.47Å; R380-K383 PolarHBondContact O-N 3.18Å; R380-R387 PolarHBondContact N-O 3.47Å; R380-R389 VanDerWaalsContact CZ-CZ 3.46Å; R380-R389 VanDerWaalsContact CZ-NH1 3.35Å; R380-R389 VanDerWaalsContact NH1-CZ 3.26Å
381	H	74.6	Confident	83.5	Confident	154 Å²	154	61.3 Å²	61.3	71%	0.713	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.2	-16.7	-177.3	-65.4	-82.2	0	0	0	113.7
382	D	66.4	Low	83.5	Confident	125 Å²	125	61.5 Å²	61.5	67%	0.668	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.2	-6.5	-179.2	65	-49.5	0	0	0	114.1	R380	R380-D382 PolarHBondContact O-N 3.3Å
383	K	65.9	Low	83.3	Confident	87 Å²	87	62 Å²	62	38%	0.378	31%	0.312	S	S	.	.			trans	-120	129.6	180	-66.2	-157.4	174.3	-159.8	0	111.5	R380 R387	R380-K383 HydrophobicContact CB-CB 4.47Å; R380-K383 PolarHBondContact O-N 3.18Å; K383-R387 WeakPolarHBondContact O-CB 3.09Å
384	T	57.1	Low	83.2	Confident	133 Å²	133	62.1 Å²	62.1	82%	0.816	31%	0.313	S	S	*	.	S	Bend	trans	-77.4	-50.1	173.5	45.3	0	0	0	0	111.6
385	S	61	Low	83	Confident	104 Å²	104	65.4 Å²	65.4	73%	0.727	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.9	-29.6	-171.4	62.1	0	0	0	0	115.6
386	T	67.7	Low	82.8	Confident	57 Å²	57	65.5 Å²	65.5	35%	0.35	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-132.7	49.5	-179.7	40.7	0	0	0	0	112.3	Y388 R389	T386-Y388 VanDerWaalsContact C-N 3.27Å; T386-Y388 PolarHBondContact O-N 3.18Å; T386-R389 PolarHBondContact OG1-NH2 3.05Å
387	R	79.8	Confident	82.9	Confident	110 Å²	110	70.1 Å²	70.1	42%	0.415	35%	0.352	S	S	.	.			trans	-58.4	-35.1	179.3	-176	171	178.7	-176.6	-1.9	113.5	V379 R380 K383	V379-R387 CarbonylContact C-O 3.57Å; V379-R387 WeakPolarHBondContact CA-O 3.39Å; V379-R387 HydrophobicContact CG1-CG 3.99Å; R380-R387 PolarHBondContact N-O 3.47Å; K383-R387 WeakPolarHBondContact O-CB 3.09Å
388	Y	88.3	Confident	83	Confident	56 Å²	56	72.2 Å²	72.2	22%	0.22	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	129.9	-174.3	-59.6	-72.6	0	0	0	110.7	L341 A344 M377 V379 T386	L341-Y388 HydrophobicContact CD1-CE1 4.4Å; A344-Y388 HydrophobicContact CB-CD1 3.86Å; A344-Y388 HydrophobicContact CB-CD2 3.81Å; A344-Y388 HydrophobicContact CB-CE1 3.86Å; A344-Y388 HydrophobicContact CB-CE2 3.83Å; A344-Y388 HydrophobicContact CB-CG 3.82Å; M377-Y388 HydrophobicContact CE-CD1 3.55Å; M377-Y388 HydrophobicContact CE-CE1 4.09Å; M377-Y388 HydrophobicContact CE-CG 4.37Å; M377-Y388 HydrophobicContact SD-CD1 3.83Å; M377-Y388 HydrophobicContact SD-CG 4.17Å; V379-Y388 HydrophobicContact CG1-CD1 4.33Å; V379-Y388 HydrophobicContact CG1-CE1 4.03Å; V379-Y388 HydrophobicContact CG2-CD1 3.97Å; V379-Y388 HydrophobicContact CG2-CE1 3.98Å; T386-Y388 VanDerWaalsContact C-N 3.27Å; T386-Y388 PolarHBondContact O-N 3.18Å
389	R	87.1	Confident	83.1	Confident	88 Å²	88	79 Å²	79	33%	0.332	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	128	176.6	-63.8	-174.5	-176.9	-154	-7.1	110.7	M377 V378 R380 T386	M377-R389 WeakPolarHBondContact CA-O 3.24Å; V378-R389 PolarHBondContact N-O 2.62Å; V378-R389 PolarHBondContact O-N 3.16Å; R380-R389 VanDerWaalsContact CZ-CZ 3.46Å; R380-R389 VanDerWaalsContact CZ-NH1 3.35Å; R380-R389 VanDerWaalsContact NH1-CZ 3.26Å; T386-R389 PolarHBondContact OG1-NH2 3.05Å
390	I	92.3	Very high	83.2	Confident	10 Å²	10	79.8 Å²	79.8	5%	0.051	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	123.1	170.9	-56.7	178.4	0	0	0	107.8	Y345 E348 M349 H375 F392	Y345-I390 HydrophobicContact CD1-CD1 4.23Å; Y345-I390 HydrophobicContact CE1-CD1 4.12Å; E348-I390 HydrophobicContact CB-CD1 3.82Å; E348-I390 HydrophobicContact CB-CG1 4.1Å; M349-I390 HydrophobicContact CB-CD1 4.04Å; M349-I390 HydrophobicContact CE-CD1 4.04Å; M349-I390 HydrophobicContact SD-CD1 4.41Å; H375-I390 HydrophobicContact CB-CG2 4.02Å; I390-F392 HydrophobicContact CB-CE2 4.16Å; I390-F392 HydrophobicContact CG2-CD2 4.17Å; I390-F392 HydrophobicContact CG2-CE1 4.48Å; I390-F392 HydrophobicContact CG2-CE2 3.61Å; I390-F392 HydrophobicContact CG2-CZ 3.81Å
391	I	92.5	Very high	83.7	Confident	70 Å²	70	78.1 Å²	78.1	36%	0.359	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	124.5	174.8	-59.2	-172.9	0	0	0	107.5	H375 H376 V378	H375-I391 WeakPolarHBondContact CA-O 3.35Å; H375-I391 WeakPolarHBondContact CB-O 3.47Å; H376-I391 PolarHBondContact N-O 2.98Å; H376-I391 PolarHBondContact O-N 2.83Å; V378-I391 HydrophobicContact CB-CD1 4.09Å; V378-I391 HydrophobicContact CG2-CD1 3.33Å; V378-I391 HydrophobicContact CG2-CG1 4.06Å
392	F	95.3	Very high	84.5	Confident	5 Å²	5	71 Å²	71	2%	0.022	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	114.6	170.4	-63.3	-95.3	0	0	0	107.8	M349 Y352 L373 H375 I390 T394 F454 F470	M349-F392 HydrophobicContact CE-CE1 4.44Å; M349-F392 HydrophobicContact CE-CZ 4.17Å; M349-F392 HydrophobicContact SD-CZ 4.35Å; Y352-F392 HydrophobicContact CD1-CE2 4.45Å; Y352-F392 AromaticContact CE1-CE2 3.92Å; Y352-F392 HydrophobicContact CE1-CE2 3.92Å; L373-F392 HydrophobicContact CB-CB 4.3Å; L373-F392 HydrophobicContact CB-CD1 4.46Å; L373-F392 HydrophobicContact CD1-CB 4.1Å; H375-F392 HydrophobicContact CB-CD1 3.71Å; H375-F392 HydrophobicContact CB-CE1 3.91Å; H375-F392 HydrophobicContact CB-CG 4.24Å; I390-F392 HydrophobicContact CB-CE2 4.16Å; I390-F392 HydrophobicContact CG2-CD2 4.17Å; I390-F392 HydrophobicContact CG2-CE1 4.48Å; I390-F392 HydrophobicContact CG2-CE2 3.61Å; I390-F392 HydrophobicContact CG2-CZ 3.81Å; F392-T394 PolarHBondContact O-N 3.29Å; F392-T394 VanDerWaalsContact O-N 3.15Å; F392-F454 HydrophobicContact CD1-CB 4.35Å; F392-F454 HydrophobicContact CD1-CD1 4.24Å; F392-F454 HydrophobicContact CD1-CG 4.22Å; F392-F454 HydrophobicContact CE1-CB 4.24Å; F392-F454 AromaticContact CE1-CD1 3.72Å; F392-F454 HydrophobicContact CE1-CD1 3.72Å; F392-F454 AromaticContact CE1-CD2 3.89Å; F392-F454 HydrophobicContact CE1-CD2 3.89Å; F392-F454 AromaticContact CE1-CE1 3.95Å; F392-F454 HydrophobicContact CE1-CE1 3.95Å; F392-F454 HydrophobicContact CE1-CE2 4.11Å; F392-F454 AromaticContact CE1-CG 3.68Å; F392-F454 HydrophobicContact CE1-CG 3.68Å; F392-F454 HydrophobicContact CE1-CZ 4.13Å; F392-F454 HydrophobicContact CZ-CE1 4.45Å; F392-F454 HydrophobicContact CZ-CZ 4.41Å; F392-F470 AromaticContact CD1-CE2 3.78Å; F392-F470 HydrophobicContact CD1-CE2 3.78Å; F392-F470 HydrophobicContact CD1-CZ 4.05Å; F392-F470 HydrophobicContact CD2-CE2 4.17Å; F392-F470 AromaticContact CD2-CZ 3.65Å; F392-F470 HydrophobicContact CD2-CZ 3.65Å; F392-F470 AromaticContact CE1-CE2 3.92Å; F392-F470 HydrophobicContact CE1-CE2 3.92Å; F392-F470 AromaticContact CE1-CZ 3.97Å; F392-F470 HydrophobicContact CE1-CZ 3.97Å; F392-F470 HydrophobicContact CE2-CE2 4.31Å; F392-F470 AromaticContact CE2-CZ 3.59Å; F392-F470 HydrophobicContact CE2-CZ 3.59Å; F392-F470 AromaticContact CG-CE2 3.9Å; F392-F470 HydrophobicContact CG-CE2 3.9Å; F392-F470 AromaticContact CG-CZ 3.89Å; F392-F470 HydrophobicContact CG-CZ 3.89Å; F392-F470 HydrophobicContact CZ-CE2 4.18Å; F392-F470 AromaticContact CZ-CZ 3.74Å; F392-F470 HydrophobicContact CZ-CZ 3.74Å
393	D	93.8	Very high	85.8	Confident	33 Å²	33	65 Å²	65	18%	0.176	33%	0.332	C	S	.	.			trans	-86.7	85.7	-167.8	-177.1	6.6	0	0	0	111.5	K327 P374 S395 C396	K327-D393 IonicContact NZ-OD2 3.32Å; P374-D393 PolarHBondContact O-N 3.32Å; D393-S395 PolarHBondContact O-N 3.28Å; D393-S395 PolarHBondContact OD1-N 3.13Å; D393-S395 PolarHBondContact OD1-OG 3.44Å; D393-C396 HydrophobicContact CB-CB 4.29Å; D393-C396 WeakPolarHBondContact O-CB 3.36Å; D393-C396 PolarHBondContact O-N 2.65Å; D393-C396 PolarHBondContact OD1-N 3.5Å; D393-C396 WeakPolarHBondContact OD2-CB 3.45Å
394	T	93	Very high	87.2	Confident	4 Å²	4	62.2 Å²	62.2	3%	0.025	32%	0.321	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72	-15.9	176	57.2	0	0	0	0	113.3	L373 F392 L403 N404 G476 L477	L373-T394 HydrophobicContact CD1-CG2 4.25Å; L373-T394 HydrophobicContact CD2-CG2 3.8Å; F392-T394 PolarHBondContact O-N 3.29Å; F392-T394 VanDerWaalsContact O-N 3.15Å; T394-L403 HydrophobicContact CG2-CD2 4.45Å; T394-L403 PolarHBondContact O-N 3.49Å; T394-N404 PolarHBondContact O-N 2.99Å; T394-N404 PolarHBondContact OG1-ND2 3.36Å; T394-N404 VanDerWaalsContact OG1-ND2 3.16Å; T394-G476 PolarHBondContact OG1-O 2.83Å; T394-L477 HydrophobicContact CG2-CD2 3.67Å; T394-L477 HydrophobicContact CG2-CG 4.18Å
395	S	93.1	Very high	88.7	Confident	75 Å²	75	58.6 Å²	58.6	52%	0.524	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.8	-8.1	176	59.9	0	0	0	0	113.4	D393 R397 S402	D393-S395 PolarHBondContact O-N 3.28Å; D393-S395 PolarHBondContact OD1-N 3.13Å; D393-S395 PolarHBondContact OD1-OG 3.44Å; S395-R397 PolarHBondContact O-N 3.25Å; S395-R397 VanDerWaalsContact O-N 3.11Å; S395-S402 WeakPolarHBondContact O-CB 3.23Å
396	C	92.5	Very high	90.1	Very high	11 Å²	11	53.7 Å²	53.7	7%	0.074	26%	0.262	C	S	.	.			trans	-60.5	117.5	178	-175.6	0	0	0	0	110.2	M323 K327 P374 D393	M323-C396 PolarHBondContact SD-SG 3.05Å; K327-C396 PolarHBondContact NZ-SG 3.24Å; P374-C396 HydrophobicContact CG-CB 3.97Å; D393-C396 HydrophobicContact CB-CB 4.29Å; D393-C396 WeakPolarHBondContact O-CB 3.36Å; D393-C396 PolarHBondContact O-N 2.65Å; D393-C396 PolarHBondContact OD1-N 3.5Å; D393-C396 WeakPolarHBondContact OD2-CB 3.45Å
397	R	93.7	Very high	91.2	Very high	159 Å²	159	51 Å²	51	60%	0.6	25%	0.246	S	C	*	.			trans	-82.4	138.7	177.1	-71.6	-175.5	167	-172.8	-1.8	111.7	S395 V401 D405	S395-R397 PolarHBondContact O-N 3.25Å; S395-R397 VanDerWaalsContact O-N 3.11Å; R397-V401 CarbonylContact C-O 3.56Å; R397-V401 VanDerWaalsContact CA-O 3.23Å; R397-V401 WeakPolarHBondContact CA-O 3.24Å; R397-D405 IonicContact CZ-OD2 3.44Å; R397-D405 IonicContact NE-OD2 3.32Å; R397-D405 PolarHBondContact NE-OD2 3.34Å; R397-D405 IonicContact NH2-OD1 3.62Å; R397-D405 PolarHBondContact NH2-OD1 3.18Å; R397-D405 IonicContact NH2-OD2 2.75Å; R397-D405 PolarHBondContact NH2-OD2 3.24Å
398	Y	92.8	Very high	91.7	Very high	52 Å²	52	47.9 Å²	47.9	20%	0.204	24%	0.237	C	C	.	.	B	Isolated β-bridge	trans	-136.3	128.5	167.6	178	-105	0	0	0	108.6	P318 D319 N320 M323 G400 V401	P318-Y398 HydrophobicContact CB-CD1 4.12Å; P318-Y398 HydrophobicContact CB-CE1 4.14Å; P318-Y398 HydrophobicContact CG-CD1 3.98Å; P318-Y398 HydrophobicContact CG-CE1 4.48Å; D319-Y398 WeakPolarHBondContact O-CE1 3.45Å; D319-Y398 PolarHBondContact O-OH 3.35Å; N320-Y398 HydrophobicContact CB-CD1 3.43Å; N320-Y398 VanDerWaalsContact CB-CD1 3.43Å; N320-Y398 HydrophobicContact CB-CD2 4.39Å; N320-Y398 HydrophobicContact CB-CE1 4.04Å; N320-Y398 HydrophobicContact CB-CG 3.62Å; M323-Y398 HydrophobicContact CB-CD2 3.76Å; M323-Y398 HydrophobicContact CB-CE2 4.04Å; M323-Y398 HydrophobicContact CG-CD2 4.19Å; M323-Y398 HydrophobicContact SD-CD2 4.26Å; M323-Y398 HydrophobicContact SD-CG 4.44Å; Y398-G400 PolarHBondContact O-N 3.44Å; Y398-V401 PolarHBondContact N-O 3.24Å; Y398-V401 WeakPolarHBondContact O-CG2 3.46Å; Y398-V401 PolarHBondContact O-N 2.99Å
399	R	91.2	Very high	91.7	Very high	194 Å²	194	48.3 Å²	48.3	73%	0.732	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	48.6	43.6	-172.8	-62.8	-176.7	176.9	-172.7	-1.2	113.3	P318 V401	P318-R399 HydrophobicContact CB-CB 4.46Å; P318-R399 HydrophobicContact CG-CB 4.13Å; R399-V401 VanDerWaalsContact C-N 3.34Å; R399-V401 PolarHBondContact O-N 3.49Å
400	G	88.8	Confident	91.6	Very high	58 Å²	58	45 Å²	45	60%	0.598	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	86.5	-11.6	173.6	0	0	0	0	0	116.1	Y398	Y398-G400 PolarHBondContact O-N 3.44Å
401	V	90.1	Very high	91.3	Very high	55 Å²	55	45.9 Å²	45.9	33%	0.333	25%	0.247	S	C	.	.	B	Isolated β-bridge	trans	-118.9	151.1	-177.8	-60.1	0	0	0	0	112	P318 W371 R397 Y398 R399	P318-V401 VanDerWaalsContact CD-CG2 3.43Å; P318-V401 HydrophobicContact CG-CG2 3.69Å; W371-V401 HydrophobicContact CH2-CG2 4.31Å; W371-V401 HydrophobicContact CZ3-CG2 4.45Å; R397-V401 CarbonylContact C-O 3.56Å; R397-V401 VanDerWaalsContact CA-O 3.23Å; R397-V401 WeakPolarHBondContact CA-O 3.24Å; Y398-V401 PolarHBondContact N-O 3.24Å; Y398-V401 WeakPolarHBondContact O-CG2 3.46Å; Y398-V401 PolarHBondContact O-N 2.99Å; R399-V401 VanDerWaalsContact C-N 3.34Å; R399-V401 PolarHBondContact O-N 3.49Å
402	S	93	Very high	90.9	Very high	4 Å²	4	50.8 Å²	50.8	3%	0.028	26%	0.261	C	S	.	.			trans	-122.3	166.3	167.3	68.5	0	0	0	0	110.5	S395 N404 D405 A406	S395-S402 WeakPolarHBondContact O-CB 3.23Å; S402-N404 VanDerWaalsContact C-N 3.32Å; S402-N404 PolarHBondContact O-N 3.36Å; S402-D405 WeakPolarHBondContact CB-OD2 3.41Å; S402-D405 PolarHBondContact N-OD2 3.5Å; S402-D405 WeakPolarHBondContact O-CB 3.47Å; S402-D405 PolarHBondContact O-N 2.89Å; S402-D405 VanDerWaalsContact O-N 3.13Å; S402-D405 PolarHBondContact OG-N 3.43Å; S402-D405 PolarHBondContact OG-OD2 3Å; S402-A406 PolarHBondContact O-N 2.88Å
403	L	93.8	Very high	90.6	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-62.1	-40.9	176.7	179.5	59.1	0	0	0	111.6	L317 L373 T394 D405 A406 L407 V451 L477	L317-L403 HydrophobicContact CD1-CD1 4.08Å; L373-L403 HydrophobicContact CD2-CD2 4.04Å; T394-L403 HydrophobicContact CG2-CD2 4.45Å; T394-L403 PolarHBondContact O-N 3.49Å; L403-D405 PolarHBondContact O-N 2.91Å; L403-A406 WeakPolarHBondContact O-CB 3.22Å; L403-A406 PolarHBondContact O-N 2.91Å; L403-L407 HydrophobicContact CD1-CD1 4.16Å; L403-L407 HydrophobicContact CD1-CG 4.35Å; L403-L407 HydrophobicContact CG-CD1 4.05Å; L403-L407 PolarHBondContact O-N 3.37Å; L403-V451 HydrophobicContact CD1-CB 3.94Å; L403-V451 HydrophobicContact CD1-CG2 4.08Å; L403-V451 HydrophobicContact CD2-CG2 4.44Å; L403-V451 WeakPolarHBondContact CD2-O 3.34Å; L403-L477 HydrophobicContact CD2-CD2 3.49Å; L403-L477 VanDerWaalsContact CD2-CD2 3.49Å; L403-L477 HydrophobicContact CG-CD2 4.08Å
404	N	93.8	Very high	90.2	Very high	28 Å²	28	51.9 Å²	51.9	15%	0.15	27%	0.266	C	S	.	.	H	α-helix	trans	-64.7	-26.5	176.3	-78.3	-10.2	0	0	0	113	T394 S402 A406 G476 L477 N478	T394-N404 PolarHBondContact O-N 2.99Å; T394-N404 PolarHBondContact OG1-ND2 3.36Å; T394-N404 VanDerWaalsContact OG1-ND2 3.16Å; S402-N404 VanDerWaalsContact C-N 3.32Å; S402-N404 PolarHBondContact O-N 3.36Å; N404-A406 PolarHBondContact O-N 3.3Å; N404-G476 PolarHBondContact ND2-O 3.06Å; N404-G476 PolarHBondContact OD1-O 3.02Å; N404-L477 WeakPolarHBondContact OD1-CA 3.48Å; N404-N478 HydrophobicContact CB-CB 4.45Å; N404-N478 PolarHBondContact O-ND2 3.19Å; N404-N478 PolarHBondContact OD1-N 3.12Å; N404-N478 VanDerWaalsContact OD1-N 3.07Å
405	D	90.1	Very high	90	Very high	57 Å²	57	53 Å²	53	31%	0.305	27%	0.271	S	S	.	.	H	α-helix	trans	-68.2	-25.4	174.1	-64.8	-47.7	0	0	0	111.6	K311 R397 S402 L403	K311-D405 VanDerWaalsContact CD-O 3.31Å; K311-D405 WeakPolarHBondContact CD-O 3.3Å; K311-D405 VanDerWaalsContact CE-O 3.29Å; K311-D405 WeakPolarHBondContact CE-O 3.25Å; K311-D405 PolarHBondContact NZ-O 3.28Å; R397-D405 IonicContact CZ-OD2 3.44Å; R397-D405 IonicContact NE-OD2 3.32Å; R397-D405 PolarHBondContact NE-OD2 3.34Å; R397-D405 IonicContact NH2-OD1 3.62Å; R397-D405 PolarHBondContact NH2-OD1 3.18Å; R397-D405 IonicContact NH2-OD2 2.75Å; R397-D405 PolarHBondContact NH2-OD2 3.24Å; S402-D405 WeakPolarHBondContact CB-OD2 3.41Å; S402-D405 PolarHBondContact N-OD2 3.5Å; S402-D405 WeakPolarHBondContact O-CB 3.47Å; S402-D405 PolarHBondContact O-N 2.89Å; S402-D405 VanDerWaalsContact O-N 3.13Å; S402-D405 PolarHBondContact OG-N 3.43Å; S402-D405 PolarHBondContact OG-OD2 3Å; L403-D405 PolarHBondContact O-N 2.91Å
406	A	89.9	Confident	89.7	Confident	1 Å²	1	53.3 Å²	53.3	1%	0.008	27%	0.267	C	S	.	.	H	α-helix	trans	-88.2	-16.8	-179.1	0	0	0	0	0	114.9	W310 K311 L315 L317 S402 L403 N404	W310-A406 HydrophobicContact CE3-CB 4.34Å; W310-A406 HydrophobicContact CZ3-CB 3.97Å; K311-A406 PolarHBondContact N-O 3.28Å; L315-A406 HydrophobicContact CD1-CB 3.62Å; L315-A406 HydrophobicContact CD2-CB 3.5Å; L315-A406 HydrophobicContact CG-CB 4.2Å; L317-A406 HydrophobicContact CD2-CB 4.22Å; S402-A406 PolarHBondContact O-N 2.88Å; L403-A406 WeakPolarHBondContact O-CB 3.22Å; L403-A406 PolarHBondContact O-N 2.91Å; N404-A406 PolarHBondContact O-N 3.3Å
407	L	90.9	Very high	89.6	Confident	0 Å²	0	54.2 Å²	54.2	0%	0	27%	0.272	C	S	.	.	B	Isolated β-bridge	trans	-106.3	143.4	-174.7	-60.6	176.7	0	0	0	111.9	L308 P309 W310 K311 L403 L477 N478	L308-L407 HydrophobicContact CB-CD2 3.92Å; L308-L407 HydrophobicContact CD1-CD1 4.45Å; L308-L407 HydrophobicContact CD1-CD2 4.37Å; L308-L407 HydrophobicContact CD2-CD1 4.45Å; P309-L407 WeakPolarHBondContact O-CA 3.43Å; W310-L407 HydrophobicContact CD2-CD2 3.99Å; W310-L407 HydrophobicContact CE3-CD2 4.03Å; W310-L407 HydrophobicContact CZ2-CD2 4.47Å; W310-L407 HydrophobicContact CZ3-CD2 4.3Å; K311-L407 VanDerWaalsContact CE-O 3.24Å; K311-L407 WeakPolarHBondContact CE-O 3.42Å; L403-L407 HydrophobicContact CD1-CD1 4.16Å; L403-L407 HydrophobicContact CD1-CG 4.35Å; L403-L407 HydrophobicContact CG-CD1 4.05Å; L403-L407 PolarHBondContact O-N 3.37Å; L407-L477 HydrophobicContact CD1-CD2 3.87Å; L407-N478 PolarHBondContact O-ND2 3.49Å
408	I	89.4	Confident	89.5	Confident	46 Å²	46	47.3 Å²	47.3	24%	0.236	25%	0.246	C	C	.	.			trans	-78.1	125.4	170.5	-58.7	166.6	0	0	0	107.6	P309 W310 K311 G410 C479	P309-I408 HydrophobicContact CB-CB 4.19Å; P309-I408 HydrophobicContact CG-CB 4.49Å; P309-I408 VanDerWaalsContact CG-O 3.23Å; P309-I408 WeakPolarHBondContact CG-O 3.45Å; P309-I408 PolarHBondContact O-N 3.3Å; W310-I408 WeakPolarHBondContact O-CD1 3.36Å; K311-I408 HydrophobicContact CB-CG1 4.32Å; K311-I408 HydrophobicContact CG-CG1 3.59Å; I408-G410 PolarHBondContact O-N 3.42Å; I408-C479 VanDerWaalsContact O-CB 3.25Å; I408-C479 WeakPolarHBondContact O-CB 3.48Å
409	S	89	Confident	89.5	Confident	65 Å²	65	44.9 Å²	44.9	46%	0.455	24%	0.237	S	C	.	.			trans	-65	-21.2	-179.5	56.6	0	0	0	0	113.8	C479 F482	S409-C479 WeakPolarHBondContact O-CA 2.96Å; S409-F482 WeakPolarHBondContact O-CB 3.44Å
410	G	85.1	Confident	89.7	Confident	17 Å²	17	35.6 Å²	35.6	18%	0.175	20%	0.202	C	C	.	.			trans	76.5	167.8	-170.5	0	0	0	0	0	112.6	I408	I408-G410 PolarHBondContact O-N 3.42Å
411	P	85.2	Confident	90	Very high	29 Å²	29	33 Å²	33	19%	0.188	17%	0.174	C	C	.	.			trans	-68.4	158.7	174.5	30	-37.4	0	0	0	112	T288 L413 F482	T288-P411 HydrophobicContact CG2-CB 4.16Å; T288-P411 HydrophobicContact CG2-CG 3.69Å; P411-L413 HydrophobicContact CG-CD2 4.2Å; P411-L413 PolarHBondContact O-N 3.33Å; P411-L413 VanDerWaalsContact O-N 3.16Å; P411-F482 HydrophobicContact CG-CD2 3.93Å; P411-F482 HydrophobicContact CG-CE2 3.82Å
412	R	84.7	Confident	90.2	Very high	173 Å²	173	30.3 Å²	30.3	65%	0.653	16%	0.158	S	C	*	.			trans	-76.2	101.3	177.1	-166.4	-172.9	173.5	-176.3	-11.1	110.1
413	L	88	Confident	90.4	Very high	13 Å²	13	30.8 Å²	30.8	7%	0.068	16%	0.159	C	C	.	.			trans	-94.6	2.8	177.4	-57.6	-177.7	0	0	0	114.1	T288 P411 F482 L485 N486 R489	T288-L413 HydrophobicContact CG2-CD2 4.39Å; P411-L413 HydrophobicContact CG-CD2 4.2Å; P411-L413 PolarHBondContact O-N 3.33Å; P411-L413 VanDerWaalsContact O-N 3.16Å; L413-F482 HydrophobicContact CD1-CD2 3.59Å; L413-F482 HydrophobicContact CD1-CE2 3.83Å; L413-F482 HydrophobicContact CG-CD2 3.98Å; L413-F482 HydrophobicContact CG-CE2 4.44Å; L413-L485 HydrophobicContact CB-CB 4.03Å; L413-L485 HydrophobicContact CB-CD1 4.24Å; L413-L485 HydrophobicContact CD1-CB 4.35Å; L413-N486 HydrophobicContact CD1-CB 3.87Å; L413-R489 VanDerWaalsContact O-CZ 3.26Å; L413-R489 PolarHBondContact O-NH2 2.85Å
414	Q	86.7	Confident	90.5	Very high	48 Å²	48	30.8 Å²	30.8	22%	0.224	16%	0.159	C	C	.	.	P	Polyproline II helix	trans	-71.1	134.9	177	-58.4	88.3	28.1	0	0	110.1	L485 Y511 V512	Q414-L485 HydrophobicContact CG-CD1 3.76Å; Q414-Y511 HydrophobicContact CB-CE2 4.3Å; Q414-V512 HydrophobicContact CG-CG2 3.85Å
415	N	88.2	Confident	90.6	Very high	27 Å²	27	29.4 Å²	29.4	14%	0.144	15%	0.152	C	C	.	.	P	Polyproline II helix	trans	-62.6	154.2	171	-67.9	-35	0	0	0	111.5	L417 I420 R489 L507 K508 M510	N415-L417 PolarHBondContact O-N 3.12Å; N415-I420 HydrophobicContact CB-CD1 3.9Å; N415-I420 HydrophobicContact CB-CG1 4.3Å; N415-R489 PolarHBondContact OD1-NH2 2.83Å; N415-R489 VanDerWaalsContact OD1-NH2 3.12Å; N415-L507 PolarHBondContact ND2-O 3.42Å; N415-L507 PolarHBondContact OD1-O 2.73Å; N415-K508 PolarHBondContact ND2-O 2.76Å; N415-M510 PolarHBondContact ND2-O 2.73Å
416	D	87	Confident	90.8	Very high	82 Å²	82	27.6 Å²	27.6	44%	0.439	14%	0.141	S	C	.	.	P	Polyproline II helix	trans	-66.6	127.8	175	176.6	67.6	0	0	0	111.4	L418 G419 I420 Y743	D416-L418 WeakPolarHBondContact OD2-CB 3.23Å; D416-L418 PolarHBondContact OD2-N 2.95Å; D416-G419 PolarHBondContact O-N 2.95Å; D416-G419 PolarHBondContact OD2-N 2.92Å; D416-I420 WeakPolarHBondContact O-CG1 3.39Å; D416-I420 PolarHBondContact O-N 3.28Å; D416-Y743 PolarHBondContact OD2-OH 2.8Å
417	L	90	Very high	91	Very high	31 Å²	31	29 Å²	29	16%	0.162	15%	0.147	C	C	.	.	H	α-helix	trans	-68.1	-39.1	-171	-170.3	63	0	0	0	112.4	N415 G419 I420 I421 Y511 L572 Y610	N415-L417 PolarHBondContact O-N 3.12Å; L417-G419 VanDerWaalsContact C-N 3.31Å; L417-I420 PolarHBondContact O-N 2.73Å; L417-I421 HydrophobicContact CG-CD1 4.29Å; L417-I421 VanDerWaalsContact O-CG1 3.31Å; L417-I421 WeakPolarHBondContact O-CG1 3.44Å; L417-I421 PolarHBondContact O-N 3.11Å; L417-I421 VanDerWaalsContact O-N 3.11Å; L417-Y511 HydrophobicContact CB-CE2 4.24Å; L417-Y511 HydrophobicContact CD1-CD1 4.05Å; L417-Y511 HydrophobicContact CD1-CD2 3.77Å; L417-Y511 HydrophobicContact CD1-CE1 4.11Å; L417-Y511 HydrophobicContact CD1-CE2 3.84Å; L417-Y511 HydrophobicContact CD1-CG 3.87Å; L417-L572 HydrophobicContact CD1-CB 3.88Å; L417-L572 HydrophobicContact CD1-CD1 4.04Å; L417-L572 HydrophobicContact CD1-CD2 4.01Å; L417-L572 HydrophobicContact CD1-CG 4.18Å; L417-Y610 WeakPolarHBondContact CD2-OH 3.37Å
418	L	91.6	Very high	91.2	Very high	13 Å²	13	30.3 Å²	30.3	7%	0.068	16%	0.156	C	C	.	.	H	α-helix	trans	-65.8	-38.9	178	173.7	61	0	0	0	110.2	D416 I420 I421 L422 L613 Y743	D416-L418 WeakPolarHBondContact OD2-CB 3.23Å; D416-L418 PolarHBondContact OD2-N 2.95Å; L418-I420 PolarHBondContact O-N 3.25Å; L418-I421 PolarHBondContact O-N 3.33Å; L418-L422 HydrophobicContact CD1-CD1 4.09Å; L418-L422 HydrophobicContact CD1-CG 4.14Å; L418-L422 HydrophobicContact CG-CD1 3.98Å; L418-L422 HydrophobicContact CG-CG 4.46Å; L418-L422 WeakPolarHBondContact O-CB 3.43Å; L418-L422 VanDerWaalsContact O-CG 3.29Å; L418-L422 WeakPolarHBondContact O-CG 3.43Å; L418-L422 PolarHBondContact O-N 2.61Å; L418-L613 HydrophobicContact CD1-CD2 3.63Å; L418-L613 HydrophobicContact CD1-CG 4.38Å; L418-Y743 HydrophobicContact CB-CE1 4.47Å; L418-Y743 WeakPolarHBondContact CB-OH 3.32Å; L418-Y743 HydrophobicContact CD2-CD1 4.26Å; L418-Y743 HydrophobicContact CD2-CE1 3.45Å; L418-Y743 VanDerWaalsContact CD2-CE1 3.45Å; L418-Y743 HydrophobicContact CG-CE1 3.74Å; L418-Y743 WeakPolarHBondContact CG-OH 3.18Å
419	G	93.4	Very high	91.5	Very high	1 Å²	1	28.6 Å²	28.6	1%	0.01	15%	0.147	C	C	.	.	H	α-helix	trans	-62.2	-43.1	177.7	0	0	0	0	0	112.4	D416 L417 L422 R423 Y743	D416-G419 PolarHBondContact O-N 2.95Å; D416-G419 PolarHBondContact OD2-N 2.92Å; L417-G419 VanDerWaalsContact C-N 3.31Å; G419-L422 PolarHBondContact O-N 3.13Å; G419-R423 PolarHBondContact O-N 3.32Å; G419-R423 PolarHBondContact O-NH1 3.15Å; G419-Y743 WeakPolarHBondContact CA-OH 3.25Å; G419-Y743 PolarHBondContact N-OH 3.23Å
420	I	95.2	Very high	91.9	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-64.2	-46.2	176.4	-58	167.6	0	0	0	110.4	N415 D416 L417 L418 L422 R423 F424 K508 Y511 V516 L572	N415-I420 HydrophobicContact CB-CD1 3.9Å; N415-I420 HydrophobicContact CB-CG1 4.3Å; D416-I420 WeakPolarHBondContact O-CG1 3.39Å; D416-I420 PolarHBondContact O-N 3.28Å; L417-I420 PolarHBondContact O-N 2.73Å; L418-I420 PolarHBondContact O-N 3.25Å; I420-L422 VanDerWaalsContact C-N 3.28Å; I420-L422 PolarHBondContact O-N 2.66Å; I420-R423 PolarHBondContact O-N 3.07Å; I420-F424 WeakPolarHBondContact O-CB 3.44Å; I420-F424 PolarHBondContact O-N 3.43Å; I420-K508 WeakPolarHBondContact CG1-O 3.27Å; I420-Y511 HydrophobicContact CD1-CD2 4.12Å; I420-Y511 HydrophobicContact CD1-CG 4.33Å; I420-V516 HydrophobicContact CG2-CB 4.09Å; I420-L572 HydrophobicContact CB-CD1 3.96Å; I420-L572 HydrophobicContact CG2-CD1 3.52Å
421	I	94.8	Very high	92.4	Very high	2 Å²	2	24.7 Å²	24.7	1%	0.01	12%	0.117	C	C	.	.	H	α-helix	trans	-61.2	-39.6	178.3	-65.1	168.6	0	0	0	110.4	L417 L418 F424 R425 L572 M574 P612 L613	L417-I421 HydrophobicContact CG-CD1 4.29Å; L417-I421 VanDerWaalsContact O-CG1 3.31Å; L417-I421 WeakPolarHBondContact O-CG1 3.44Å; L417-I421 PolarHBondContact O-N 3.11Å; L417-I421 VanDerWaalsContact O-N 3.11Å; L418-I421 PolarHBondContact O-N 3.33Å; I421-F424 WeakPolarHBondContact O-CB 3.31Å; I421-F424 PolarHBondContact O-N 2.86Å; I421-R425 VanDerWaalsContact O-CG 3.23Å; I421-R425 WeakPolarHBondContact O-CG 3.43Å; I421-R425 PolarHBondContact O-N 3.25Å; I421-L572 HydrophobicContact CD1-CB 4.27Å; I421-L572 HydrophobicContact CG1-CB 4.21Å; I421-L572 HydrophobicContact CG1-CD1 3.88Å; I421-M574 HydrophobicContact CD1-SD 4.15Å; I421-M574 HydrophobicContact CG2-SD 4.04Å; I421-P612 HydrophobicContact CD1-CB 3.98Å; I421-P612 HydrophobicContact CD1-CG 3.46Å; I421-P612 VanDerWaalsContact CD1-CG 3.46Å; I421-L613 HydrophobicContact CG2-CD1 3.78Å; I421-L613 HydrophobicContact CG2-CD2 3.97Å; I421-L613 HydrophobicContact CG2-CG 3.89Å
422	L	95.4	Very high	92.9	Very high	0 Å²	0	24 Å²	24	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-65.2	-42.3	176	-73.2	170.6	0	0	0	112.5	L418 G419 I420 R425 L613 V712 Y743 V744 V747 M748	L418-L422 HydrophobicContact CD1-CD1 4.09Å; L418-L422 HydrophobicContact CD1-CG 4.14Å; L418-L422 HydrophobicContact CG-CD1 3.98Å; L418-L422 HydrophobicContact CG-CG 4.46Å; L418-L422 WeakPolarHBondContact O-CB 3.43Å; L418-L422 VanDerWaalsContact O-CG 3.29Å; L418-L422 WeakPolarHBondContact O-CG 3.43Å; L418-L422 PolarHBondContact O-N 2.61Å; G419-L422 PolarHBondContact O-N 3.13Å; I420-L422 VanDerWaalsContact C-N 3.28Å; I420-L422 PolarHBondContact O-N 2.66Å; L422-R425 WeakPolarHBondContact O-CB 3.49Å; L422-R425 PolarHBondContact O-N 3.49Å; L422-R425 VanDerWaalsContact O-N 3.16Å; L422-L613 HydrophobicContact CD2-CD2 3.72Å; L422-L613 HydrophobicContact CG-CD2 4.15Å; L422-V712 HydrophobicContact CD2-CG1 3.5Å; L422-Y743 HydrophobicContact CD1-CE1 4.01Å; L422-V744 HydrophobicContact CD1-CG2 4.19Å; L422-V747 HydrophobicContact CB-CG2 4.35Å; L422-V747 HydrophobicContact CD1-CG2 3.47Å; L422-V747 VanDerWaalsContact CD1-CG2 3.47Å; L422-M748 HydrophobicContact CB-CG 3.93Å; L422-M748 HydrophobicContact CD1-CG 4.47Å; L422-M748 HydrophobicContact CD2-CG 4.46Å; L422-M748 HydrophobicContact CD2-SD 4.43Å
423	R	96	Very high	93.4	Very high	13 Å²	13	15.8 Å²	15.8	5%	0.049	8%	0.08	C	C	.	.	H	α-helix	trans	-67	-35.9	174.7	-76	-174.3	-64.6	-80.3	0.2	113.1	G419 I420 R425 R426 K508 N509 S518 V747	G419-R423 PolarHBondContact O-N 3.32Å; G419-R423 PolarHBondContact O-NH1 3.15Å; I420-R423 PolarHBondContact O-N 3.07Å; R423-R425 PolarHBondContact O-N 2.76Å; R423-R426 VanDerWaalsContact O-CG 3.32Å; R423-R426 WeakPolarHBondContact O-CG 3.34Å; R423-R426 PolarHBondContact O-N 3.43Å; R423-R426 PolarHBondContact O-NE 3.24Å; R423-K508 PolarHBondContact NH2-O 2.87Å; R423-N509 WeakPolarHBondContact CD-OD1 3.49Å; R423-N509 PolarHBondContact NE-OD1 2.83Å; R423-S518 PolarHBondContact O-OG 3.27Å; R423-V747 VanDerWaalsContact CG-O 3.25Å; R423-V747 WeakPolarHBondContact CG-O 3.5Å; R423-V747 PolarHBondContact NH1-O 3.4Å
424	F	96.4	Very high	93.7	Very high	0 Å²	0	16 Å²	16	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-61.9	-24.8	173.2	-177.6	-121	0	0	0	112.5	I420 I421 A430 V516 T517 S518 V571 W576 F583 R666	I420-F424 WeakPolarHBondContact O-CB 3.44Å; I420-F424 PolarHBondContact O-N 3.43Å; I421-F424 WeakPolarHBondContact O-CB 3.31Å; I421-F424 PolarHBondContact O-N 2.86Å; F424-A430 HydrophobicContact CD2-CB 4.21Å; F424-A430 HydrophobicContact CE2-CB 3.33Å; F424-A430 HydrophobicContact CZ-CB 3.56Å; F424-V516 HydrophobicContact CB-CG1 3.76Å; F424-V516 HydrophobicContact CD1-CG1 4.01Å; F424-V516 HydrophobicContact CD2-CB 4.48Å; F424-V516 HydrophobicContact CD2-CG1 3.16Å; F424-V516 HydrophobicContact CE1-CG1 4.42Å; F424-V516 HydrophobicContact CE2-CG1 3.63Å; F424-V516 HydrophobicContact CG-CG1 3.37Å; F424-V516 HydrophobicContact CZ-CG1 4.24Å; F424-T517 VanDerWaalsContact CD2-O 3.24Å; F424-T517 WeakPolarHBondContact CD2-O 3.46Å; F424-S518 WeakPolarHBondContact O-CB 3.35Å; F424-S518 PolarHBondContact O-OG 2.9Å; F424-V571 HydrophobicContact CD1-CG1 4.03Å; F424-V571 HydrophobicContact CE1-CB 4.33Å; F424-V571 HydrophobicContact CE1-CG1 3.82Å; F424-V571 HydrophobicContact CE1-CG2 4.04Å; F424-V571 HydrophobicContact CZ-CG1 4.23Å; F424-V571 HydrophobicContact CZ-CG2 4.12Å; F424-W576 HydrophobicContact CE1-CD2 4.29Å; F424-W576 HydrophobicContact CE1-CE3 4.5Å; F424-W576 HydrophobicContact CE2-CH2 4.5Å; F424-W576 HydrophobicContact CZ-CD2 4Å; F424-W576 AromaticContact CZ-CE3 3.91Å; F424-W576 HydrophobicContact CZ-CE3 3.91Å; F424-W576 AromaticContact CZ-CH2 3.91Å; F424-W576 HydrophobicContact CZ-CH2 3.91Å; F424-W576 HydrophobicContact CZ-CZ2 4.02Å; F424-W576 AromaticContact CZ-CZ3 3.85Å; F424-W576 HydrophobicContact CZ-CZ3 3.85Å; F424-F583 HydrophobicContact CD1-CE1 4.38Å; F424-F583 AromaticContact CD1-CZ 3.93Å; F424-F583 HydrophobicContact CD1-CZ 3.93Å; F424-F583 HydrophobicContact CE1-CE1 4.1Å; F424-F583 HydrophobicContact CE1-CZ 4.04Å; F424-R666 HydrophobicContact CD1-CG 4.09Å; F424-R666 HydrophobicContact CE1-CG 3.93Å; F424-R666 PolarHBondContact O-NH1 3.28Å
425	R	96.3	Very high	94	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	7%	0.071	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.5	-1.6	178.6	-70.7	-178	72.8	-165.7	-2.6	114.5	I421 L422 R423 F583 R666 R667 L668 I711 V712	I421-R425 VanDerWaalsContact O-CG 3.23Å; I421-R425 WeakPolarHBondContact O-CG 3.43Å; I421-R425 PolarHBondContact O-N 3.25Å; L422-R425 WeakPolarHBondContact O-CB 3.49Å; L422-R425 PolarHBondContact O-N 3.49Å; L422-R425 VanDerWaalsContact O-N 3.16Å; R423-R425 PolarHBondContact O-N 2.76Å; R425-F583 HydrophobicContact CG-CE2 3.65Å; R425-F583 HydrophobicContact CG-CZ 4.1Å; R425-R666 WeakPolarHBondContact CA-O 3.41Å; R425-R666 WeakPolarHBondContact CB-O 3.26Å; R425-R666 HydrophobicContact CG-CG 4.12Å; R425-R666 WeakPolarHBondContact CG-O 3.22Å; R425-R666 PolarHBondContact NE-O 2.47Å; R425-R667 CarbonylContact O-C 3.57Å; R425-R667 WeakPolarHBondContact O-CA 3.4Å; R425-L668 HydrophobicContact CB-CD1 4.06Å; R425-L668 HydrophobicContact CB-CG 3.91Å; R425-L668 VanDerWaalsContact NH2-CD2 3.34Å; R425-L668 WeakPolarHBondContact O-CG 3.08Å; R425-L668 PolarHBondContact O-N 2.82Å; R425-I711 PolarHBondContact NH1-O 3.46Å; R425-I711 PolarHBondContact NH2-O 3.47Å; R425-V712 PolarHBondContact NH1-O 3.07Å
426	R	94.1	Very high	94.2	Very high	19 Å²	19	14 Å²	14	7%	0.072	8%	0.075	C	C	.	.	S	Bend	trans	-66.3	-52.8	-171	-67.1	178.8	-52.4	-179.8	-3.8	113.1	R423 S518 M748 E749 L750	R423-R426 VanDerWaalsContact O-CG 3.32Å; R423-R426 WeakPolarHBondContact O-CG 3.34Å; R423-R426 PolarHBondContact O-N 3.43Å; R423-R426 PolarHBondContact O-NE 3.24Å; R426-S518 PolarHBondContact N-OG 3.33Å; R426-M748 WeakPolarHBondContact CD-O 3.35Å; R426-E749 IonicContact NH1-OE2 3.82Å; R426-E749 PolarHBondContact NH1-OE2 3.31Å; R426-L750 HydrophobicContact CB-CD2 4.32Å; R426-L750 HydrophobicContact CG-CD2 4.11Å; R426-L750 HydrophobicContact CG-CG 4.33Å
427	F	94.4	Very high	94.3	Very high	30 Å²	30	14.6 Å²	14.6	13%	0.132	7%	0.073	C	C	.	.	S	Bend	trans	-123.2	164.6	-161.1	-54.2	-58.3	0	0	0	113.2	I429 S518 C519 N520 R666 I669 L750	F427-I429 PolarHBondContact O-N 3.16Å; F427-S518 WeakPolarHBondContact CD2-O 3.43Å; F427-S518 PolarHBondContact N-OG 2.92Å; F427-S518 VanDerWaalsContact N-OG 3.16Å; F427-C519 WeakPolarHBondContact CB-O 3.45Å; F427-N520 WeakPolarHBondContact CD1-ND2 3.49Å; F427-N520 WeakPolarHBondContact CD1-OD1 3.43Å; F427-N520 WeakPolarHBondContact CE1-ND2 3.4Å; F427-R666 PolarHBondContact O-NH1 3.37Å; F427-R666 PolarHBondContact O-NH2 3.33Å; F427-I669 HydrophobicContact CE1-CD1 4.45Å; F427-L750 HydrophobicContact CE1-CD2 4Å; F427-L750 HydrophobicContact CZ-CD2 3.87Å
428	P	94.6	Very high	94.4	Very high	28 Å²	28	13.3 Å²	13.3	18%	0.182	7%	0.067	C	C	.	.	S	Bend	trans	-65.4	-30.7	-170.9	-25.2	36.6	0	0	0	116	N549 R666	P428-N549 PolarHBondContact O-ND2 3.34Å; P428-R666 PolarHBondContact O-NH2 3.1Å; P428-R666 VanDerWaalsContact O-NH2 3.08Å
429	I	95.8	Very high	94.4	Very high	10 Å²	10	13.7 Å²	13.7	5%	0.051	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	121	-179.6	-55.7	176.5	0	0	0	108	F427 S518 C519 I521 I522 A525 V550	F427-I429 PolarHBondContact O-N 3.16Å; I429-S518 CarbonylContact O-C 3.5Å; I429-S518 WeakPolarHBondContact O-CA 3.35Å; I429-S518 WeakPolarHBondContact O-CB 3.23Å; I429-C519 PolarHBondContact N-O 2.64Å; I429-C519 VanDerWaalsContact N-O 3.09Å; I429-C519 PolarHBondContact O-N 3.15Å; I429-I521 VanDerWaalsContact CD1-C 3.4Å; I429-I522 HydrophobicContact CD1-CB 4.48Å; I429-I522 HydrophobicContact CD1-CG1 3.78Å; I429-A525 HydrophobicContact CG2-CB 4.1Å; I429-V550 HydrophobicContact CG1-CG2 4.05Å; I429-V550 HydrophobicContact CG2-CB 4.33Å
430	A	96.5	Very high	94.3	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	141.5	177.3	0	0	0	0	0	110.3	F424 S548 N549 W576	F424-A430 HydrophobicContact CD2-CB 4.21Å; F424-A430 HydrophobicContact CE2-CB 3.33Å; F424-A430 HydrophobicContact CZ-CB 3.56Å; A430-S548 VanDerWaalsContact O-CA 3.22Å; A430-S548 WeakPolarHBondContact O-CA 3.15Å; A430-S548 VanDerWaalsContact O-CB 3.24Å; A430-S548 WeakPolarHBondContact O-CB 3.44Å; A430-S548 PolarHBondContact O-OG 3.29Å; A430-N549 PolarHBondContact N-OD1 3.11Å; A430-W576 HydrophobicContact CB-CH2 3.53Å; A430-W576 HydrophobicContact CB-CZ2 3.39Å
431	L	96.4	Very high	94.3	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	133.1	179.7	-64.6	174.8	0	0	0	109.5	V516 T517 A525 I528 V529 W546 L554	L431-V516 WeakPolarHBondContact O-CA 3.46Å; L431-T517 HydrophobicContact CB-CG2 4.05Å; L431-T517 HydrophobicContact CD1-CG2 4.29Å; L431-T517 PolarHBondContact N-O 3.05Å; L431-T517 PolarHBondContact O-N 3.37Å; L431-A525 HydrophobicContact CD1-CB 4.16Å; L431-I528 HydrophobicContact CD1-CB 4.18Å; L431-I528 HydrophobicContact CD1-CG2 3.95Å; L431-V529 HydrophobicContact CD1-CG2 4.09Å; L431-V529 HydrophobicContact CD2-CG2 4.11Å; L431-W546 HydrophobicContact CB-CZ3 4.21Å; L431-L554 HydrophobicContact CD2-CD2 3.94Å
432	Q	95.9	Very high	94.3	Very high	14 Å²	14	14.9 Å²	14.9	7%	0.065	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	137.7	173.8	168.9	-177.8	13	0	0	109.7	F515 V516 W546 S547 K570 V571	Q432-F515 CarbonylContact C-O 3.44Å; Q432-F515 VanDerWaalsContact CA-O 3.28Å; Q432-F515 WeakPolarHBondContact CA-O 3.2Å; Q432-V516 HydrophobicContact CB-CG2 4.5Å; Q432-V516 HydrophobicContact CG-CG2 4.22Å; Q432-W546 CarbonylContact O-C 3.59Å; Q432-W546 VanDerWaalsContact O-CA 3.22Å; Q432-W546 WeakPolarHBondContact O-CA 3.24Å; Q432-S547 PolarHBondContact N-O 2.88Å; Q432-S547 PolarHBondContact O-N 3.12Å; Q432-K570 PolarHBondContact NE2-O 3.43Å; Q432-V571 VanDerWaalsContact OE1-CG2 3.31Å
433	A	95.5	Very high	94.4	Very high	1 Å²	1	15.3 Å²	15.3	1%	0.008	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	167.5	172.3	0	0	0	0	0	111.3	F515 L543 W546	A433-F515 PolarHBondContact N-O 2.95Å; A433-F515 PolarHBondContact O-N 2.92Å; A433-L543 HydrophobicContact CB-CB 4.34Å; A433-L543 HydrophobicContact CB-CD1 4.43Å; A433-L543 HydrophobicContact CB-CD2 4.07Å; A433-W546 HydrophobicContact CB-CD2 3.58Å; A433-W546 HydrophobicContact CB-CE3 3.73Å; A433-W546 HydrophobicContact CB-CG 4.15Å; A433-W546 HydrophobicContact CB-CH2 4.01Å; A433-W546 HydrophobicContact CB-CZ2 3.89Å; A433-W546 HydrophobicContact CB-CZ3 3.92Å
434	D	93.3	Very high	94.3	Very high	17 Å²	17	14.8 Å²	14.8	9%	0.091	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	129.3	180	174.1	60.6	0	0	0	110.2	S436 D513 T544 K545	D434-S436 PolarHBondContact O-N 2.75Å; D434-D513 CarbonylContact C-O 3.51Å; D434-D513 WeakPolarHBondContact CA-O 3.45Å; D434-T544 PolarHBondContact N-O 2.84Å; D434-T544 PolarHBondContact O-N 3.16Å; D434-T544 PolarHBondContact O-OG1 3.3Å; D434-K545 HydrophobicContact CB-CB 4.43Å; D434-K545 HydrophobicContact CB-CD 4.19Å; D434-K545 IonicContact OD2-NZ 3.57Å; D434-K545 PolarHBondContact OD2-NZ 2.9Å
435	I	93.5	Very high	94.2	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71	112.8	168.5	-63.5	-177.6	0	0	0	108.4	K437 M438 L488 M510 D513 L536 F541 L543	I435-K437 PolarHBondContact O-N 2.9Å; I435-M438 HydrophobicContact CB-CB 4.18Å; I435-M438 HydrophobicContact CB-CG 4.45Å; I435-M438 HydrophobicContact CD1-CG 4.37Å; I435-M438 HydrophobicContact CG2-CB 3.78Å; I435-M438 HydrophobicContact CG2-CG 4.04Å; I435-M438 PolarHBondContact O-N 2.96Å; I435-L488 HydrophobicContact CD1-CD1 3.47Å; I435-L488 VanDerWaalsContact CD1-CD1 3.47Å; I435-M510 HydrophobicContact CD1-CE 3.21Å; I435-M510 HydrophobicContact CD1-SD 4.17Å; I435-M510 HydrophobicContact CG1-CE 3.84Å; I435-D513 HydrophobicContact CB-CB 4.41Å; I435-D513 PolarHBondContact N-O 3.23Å; I435-L536 HydrophobicContact CD1-CD1 4.25Å; I435-F541 HydrophobicContact CD1-CB 4.17Å; I435-F541 HydrophobicContact CD1-CD1 4.42Å; I435-F541 HydrophobicContact CD1-CG 4.38Å; I435-F541 HydrophobicContact CG2-CB 3.99Å; I435-F541 HydrophobicContact CG2-CD1 3.81Å; I435-F541 HydrophobicContact CG2-CG 4.33Å; I435-L543 HydrophobicContact CG1-CD2 3.57Å
436	S	91.6	Very high	94.1	Very high	34 Å²	34	24.5 Å²	24.5	24%	0.238	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	108.4	179.5	-171.2	0	0	0	0	110.9	D434 M438 Q441 R542	D434-S436 PolarHBondContact O-N 2.75Å; S436-M438 PolarHBondContact O-N 3.22Å; S436-Q441 PolarHBondContact O-NE2 3.11Å; S436-R542 PolarHBondContact N-O 3.01Å
437	K	89.2	Confident	93.9	Very high	93 Å²	93	30.3 Å²	30.3	40%	0.404	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.9	48	174.8	-49.2	169.2	-172.9	151.4	0	112.2	W357 I435 F439 M440	W357-K437 HydrophobicContact CH2-CD 3.31Å; W357-K437 VanDerWaalsContact CH2-CE 3.42Å; W357-K437 HydrophobicContact CZ2-CD 3.27Å; W357-K437 VanDerWaalsContact CZ2-NZ 3.34Å; W357-K437 HydrophobicContact CZ3-CD 4.33Å; I435-K437 PolarHBondContact O-N 2.9Å; K437-F439 VanDerWaalsContact C-N 3.27Å; K437-F439 PolarHBondContact O-N 2.65Å; K437-M440 HydrophobicContact CB-CB 4.12Å; K437-M440 HydrophobicContact CB-CG 4.4Å; K437-M440 WeakPolarHBondContact O-CA 3.47Å; K437-M440 PolarHBondContact O-N 2.93Å
438	M	92.2	Very high	93.8	Very high	4 Å²	4	29.5 Å²	29.5	2%	0.02	14%	0.141	C	C	.	.	G	3₁₀ helix	trans	-34.7	-52.9	-176.1	-170.1	-159.3	-169.8	0	0	114.7	I435 S436 M440 Q441 A484 L485 L488 V512 D513 F541	I435-M438 HydrophobicContact CB-CB 4.18Å; I435-M438 HydrophobicContact CB-CG 4.45Å; I435-M438 HydrophobicContact CD1-CG 4.37Å; I435-M438 HydrophobicContact CG2-CB 3.78Å; I435-M438 HydrophobicContact CG2-CG 4.04Å; I435-M438 PolarHBondContact O-N 2.96Å; S436-M438 PolarHBondContact O-N 3.22Å; M438-M440 VanDerWaalsContact C-N 3.35Å; M438-M440 PolarHBondContact O-N 3.29Å; M438-Q441 WeakPolarHBondContact O-CB 3.36Å; M438-Q441 PolarHBondContact O-N 3.03Å; M438-Q441 VanDerWaalsContact O-N 3.14Å; M438-A484 HydrophobicContact CE-CB 3.88Å; M438-A484 HydrophobicContact CG-CB 4.34Å; M438-A484 HydrophobicContact SD-CB 3.99Å; M438-L485 HydrophobicContact CE-CD2 3.8Å; M438-L485 HydrophobicContact CE-CG 4.14Å; M438-L488 HydrophobicContact CE-CB 4.4Å; M438-L488 HydrophobicContact CE-CD1 3.93Å; M438-V512 HydrophobicContact SD-CG1 4Å; M438-D513 HydrophobicContact CB-CB 4.15Å; M438-F541 HydrophobicContact CG-CD1 4.34Å; M438-F541 HydrophobicContact CG-CE1 4.08Å
439	F	91.9	Very high	93.9	Very high	22 Å²	22	30.2 Å²	30.2	10%	0.096	14%	0.14	C	C	.	.	G	3₁₀ helix	trans	-62.6	-38.7	-178.9	-61.2	-15	0	0	0	113	K437 Q441 V442 I473 F475 P481 A484 V512	K437-F439 VanDerWaalsContact C-N 3.27Å; K437-F439 PolarHBondContact O-N 2.65Å; F439-Q441 PolarHBondContact O-N 3.08Å; F439-Q441 VanDerWaalsContact O-N 3.09Å; F439-V442 PolarHBondContact O-N 3.41Å; F439-I473 HydrophobicContact CB-CD1 4.25Å; F439-I473 HydrophobicContact CB-CG1 4.01Å; F439-I473 HydrophobicContact CD1-CD1 4.46Å; F439-I473 WeakPolarHBondContact O-CG1 3.42Å; F439-F475 HydrophobicContact CB-CE2 4.49Å; F439-F475 HydrophobicContact CB-CZ 4.41Å; F439-F475 AromaticContact CD2-CD1 3.4Å; F439-F475 HydrophobicContact CD2-CD1 3.4Å; F439-F475 VanDerWaalsContact CD2-CD1 3.4Å; F439-F475 HydrophobicContact CD2-CD2 4.39Å; F439-F475 AromaticContact CD2-CE1 3.27Å; F439-F475 HydrophobicContact CD2-CE1 3.27Å; F439-F475 HydrophobicContact CD2-CE2 4.29Å; F439-F475 AromaticContact CD2-CG 3.98Å; F439-F475 HydrophobicContact CD2-CG 3.98Å; F439-F475 AromaticContact CD2-CZ 3.75Å; F439-F475 HydrophobicContact CD2-CZ 3.75Å; F439-F475 AromaticContact CE2-CD1 3.61Å; F439-F475 HydrophobicContact CE2-CD1 3.61Å; F439-F475 AromaticContact CE2-CE1 3.51Å; F439-F475 HydrophobicContact CE2-CE1 3.51Å; F439-F475 HydrophobicContact CE2-CZ 4.38Å; F439-F475 HydrophobicContact CG-CE1 4.25Å; F439-F475 HydrophobicContact CG-CZ 4.35Å; F439-P481 HydrophobicContact CZ-CB 4.41Å; F439-P481 HydrophobicContact CZ-CG 4.14Å; F439-A484 HydrophobicContact CD1-CB 3.53Å; F439-A484 HydrophobicContact CE1-CB 3.78Å; F439-V512 HydrophobicContact CE1-CG1 4.28Å; F439-V512 HydrophobicContact CZ-CG1 4.29Å
440	M	92	Very high	93.8	Very high	4 Å²	4	30.6 Å²	30.6	2%	0.02	14%	0.142	C	C	.	.	G	3₁₀ helix	trans	-72.9	-1.5	180	-61	-66.9	147	0	0	113.4	Y352 W357 K437 M438 F470 R472 I473 C474 F475	Y352-M440 HydrophobicContact CE1-CE 4.3Å; W357-M440 HydrophobicContact CB-SD 3.98Å; W357-M440 HydrophobicContact CD2-CB 4.05Å; W357-M440 HydrophobicContact CD2-CG 4.02Å; W357-M440 HydrophobicContact CD2-SD 4.13Å; W357-M440 HydrophobicContact CE3-CG 4.26Å; W357-M440 HydrophobicContact CE3-SD 4.3Å; W357-M440 HydrophobicContact CG-CB 4.12Å; W357-M440 HydrophobicContact CG-CG 4.29Å; W357-M440 HydrophobicContact CG-SD 3.98Å; K437-M440 HydrophobicContact CB-CB 4.12Å; K437-M440 HydrophobicContact CB-CG 4.4Å; K437-M440 WeakPolarHBondContact O-CA 3.47Å; K437-M440 PolarHBondContact O-N 2.93Å; M438-M440 VanDerWaalsContact C-N 3.35Å; M438-M440 PolarHBondContact O-N 3.29Å; M440-F470 HydrophobicContact CE-CE1 4.07Å; M440-F470 HydrophobicContact SD-CE1 4.36Å; M440-R472 WeakPolarHBondContact O-CD 3.35Å; M440-R472 VanDerWaalsContact O-CG 3.24Å; M440-R472 WeakPolarHBondContact O-CG 3.44Å; M440-R472 PolarHBondContact O-NE 2.69Å; M440-R472 HydrophobicContact SD-CB 4.15Å; M440-I473 WeakPolarHBondContact CE-O 3.29Å; M440-C474 HydrophobicContact CE-CB 4.32Å; M440-F475 HydrophobicContact CE-CD2 3.69Å; M440-F475 HydrophobicContact CE-CE2 4Å
441	Q	93.7	Very high	93.7	Very high	22 Å²	22	30.7 Å²	30.7	10%	0.103	14%	0.143	C	C	.	.	G	3₁₀ helix	trans	-88.2	-18.6	175.2	-52.2	-52.9	-26.8	0	0	112.8	R303 S436 M438 F439 G540 F541	R303-Q441 PolarHBondContact NH1-O 3.2Å; R303-Q441 VanDerWaalsContact NH1-O 3.17Å; S436-Q441 PolarHBondContact O-NE2 3.11Å; M438-Q441 WeakPolarHBondContact O-CB 3.36Å; M438-Q441 PolarHBondContact O-N 3.03Å; M438-Q441 VanDerWaalsContact O-N 3.14Å; F439-Q441 PolarHBondContact O-N 3.08Å; F439-Q441 VanDerWaalsContact O-N 3.09Å; Q441-G540 WeakPolarHBondContact CG-O 3.41Å; Q441-G540 PolarHBondContact OE1-O 3.31Å; Q441-G540 VanDerWaalsContact OE1-O 3.09Å; Q441-F541 HydrophobicContact CB-CD1 3.73Å; Q441-F541 HydrophobicContact CB-CE1 3.78Å; Q441-F541 HydrophobicContact CG-CD1 3.98Å; Q441-F541 HydrophobicContact CG-CE1 4.43Å
442	V	95.5	Very high	93.7	Very high	2 Å²	2	30.8 Å²	30.8	1%	0.012	14%	0.143	C	C	.	.	S	Bend	trans	-98.6	123.8	-177.9	-177.9	0	0	0	0	110.4	V306 F439 R472 I473 V487 F541	V306-V442 HydrophobicContact CB-CG1 4.37Å; V306-V442 HydrophobicContact CG1-CG1 3.68Å; V306-V442 HydrophobicContact CG2-CG1 3.79Å; F439-V442 PolarHBondContact O-N 3.41Å; V442-R472 CarbonylContact O-C 3.45Å; V442-R472 WeakPolarHBondContact O-CA 3.34Å; V442-R472 WeakPolarHBondContact O-CB 3.38Å; V442-R472 WeakPolarHBondContact O-CD 3.42Å; V442-I473 HydrophobicContact CB-CD1 3.83Å; V442-I473 HydrophobicContact CB-CG1 3.99Å; V442-I473 HydrophobicContact CG1-CD1 4.25Å; V442-I473 HydrophobicContact CG1-CG2 4.44Å; V442-I473 HydrophobicContact CG2-CD1 4.25Å; V442-I473 PolarHBondContact O-N 2.91Å; V442-V487 HydrophobicContact CG1-CG2 4.11Å; V442-V487 HydrophobicContact CG2-CB 4.38Å; V442-V487 HydrophobicContact CG2-CG1 4.16Å; V442-F541 HydrophobicContact CG2-CE1 4.01Å; V442-F541 HydrophobicContact CG2-CZ 3.77Å
443	C	96.8	Very high	93.7	Very high	9 Å²	9	30.4 Å²	30.4	6%	0.061	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	143.3	-179.2	-64.7	0	0	0	0	111.9	Y304 T305 V306 T471 R472	Y304-C443 WeakPolarHBondContact O-CB 3.17Å; Y304-C443 PolarHBondContact O-N 3.2Å; T305-C443 CarbonylContact C-O 3.57Å; T305-C443 WeakPolarHBondContact CA-O 3.46Å; T305-C443 HydrophobicContact CG2-CB 4.3Å; T305-C443 WeakPolarHBondContact OG1-CB 3.26Å; V306-C443 PolarHBondContact N-O 3.35Å; C443-T471 WeakPolarHBondContact CA-O 3.4Å; C443-R472 PolarHBondContact SG-NH1 3.42Å; C443-R472 VanDerWaalsContact SG-NH1 3.36Å
444	L	95.4	Very high	93.8	Very high	1 Å²	1	30.4 Å²	30.4	1%	0.005	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	135.3	166.5	-79.5	172.9	0	0	0	109.9	L308 R449 F470 T471 R472 I473	L308-L444 HydrophobicContact CD2-CD2 3.8Å; L308-L444 HydrophobicContact CG-CD2 4.03Å; L444-R449 HydrophobicContact CB-CG 4.23Å; L444-R449 PolarHBondContact O-NE 3.29Å; L444-F470 HydrophobicContact CD1-CB 4.33Å; L444-T471 PolarHBondContact N-O 2.91Å; L444-R472 VanDerWaalsContact CD1-O 3.29Å; L444-R472 WeakPolarHBondContact CD1-O 3.19Å; L444-I473 HydrophobicContact CD2-CG2 3.59Å; L444-I473 HydrophobicContact CG-CG2 3.9Å
445	R	94.4	Very high	93.9	Very high	91 Å²	91	29.7 Å²	29.7	34%	0.343	14%	0.137	S	C	.	.	P	Polyproline II helix	trans	-54.5	140.3	169.4	-173	177.6	-71	-175.8	-5.2	109.7	T305 V306 E447 D448 R449	T305-R445 HydrophobicContact CG2-CB 4.12Å; V306-R445 PolarHBondContact O-N 3.07Å; R445-E447 VanDerWaalsContact C-N 3.28Å; R445-E447 WeakPolarHBondContact CD-OE2 3.45Å; R445-E447 IonicContact NH1-OE2 2.99Å; R445-E447 PolarHBondContact O-N 3Å; R445-D448 PolarHBondContact O-N 3.43Å; R445-R449 WeakPolarHBondContact O-CG 3.41Å; R445-R449 PolarHBondContact O-N 3.07Å
446	E	93.1	Very high	93.9	Very high	113 Å²	113	30.2 Å²	30.2	53%	0.528	14%	0.139	S	C	.	.	G	3₁₀ helix	trans	-55.5	-42.6	-173.3	-171.1	170.6	178.5	0	0	113.1	D448 R449 R469	E446-D448 PolarHBondContact O-N 3.34Å; E446-R449 WeakPolarHBondContact O-CB 3.43Å; E446-R449 PolarHBondContact O-N 3.14Å; E446-R449 VanDerWaalsContact O-N 3.11Å; E446-R469 IonicContact OE1-NH2 2.6Å
447	E	90.6	Very high	93.9	Very high	141 Å²	141	29.8 Å²	29.8	66%	0.659	13%	0.132	S	C	*	.	G	3₁₀ helix	trans	-56.7	-31.6	176.6	-65.2	140.5	-147.8	0	0	113.6	R445	R445-E447 VanDerWaalsContact C-N 3.28Å; R445-E447 WeakPolarHBondContact CD-OE2 3.45Å; R445-E447 IonicContact NH1-OE2 2.99Å; R445-E447 PolarHBondContact O-N 3Å
448	D	92.7	Very high	93.2	Very high	13 Å²	13	29.6 Å²	29.6	7%	0.07	14%	0.143	C	C	.	.	G	3₁₀ helix	trans	-92.8	-3.3	-177.8	-73.8	-45.3	0	0	0	112.9	S307 L308 W310 R445 E446 D450 V451	S307-D448 WeakPolarHBondContact CA-OD2 3.49Å; S307-D448 WeakPolarHBondContact CB-OD2 3.22Å; L308-D448 HydrophobicContact CB-CB 4.34Å; L308-D448 HydrophobicContact CD1-CB 3.92Å; L308-D448 HydrophobicContact CG-CB 3.9Å; L308-D448 PolarHBondContact N-OD2 3.36Å; W310-D448 PolarHBondContact NE1-OD1 3.25Å; R445-D448 PolarHBondContact O-N 3.43Å; E446-D448 PolarHBondContact O-N 3.34Å; D448-D450 VanDerWaalsContact C-N 3.32Å; D448-D450 PolarHBondContact O-N 3.47Å; D448-V451 WeakPolarHBondContact O-CG2 3.46Å
449	R	95.3	Very high	92.2	Very high	43 Å²	43	31.5 Å²	31.5	16%	0.162	16%	0.157	C	C	.	.	G	3₁₀ helix	trans	-70.3	-30.8	-176.6	-62.8	-175.5	-175.7	172	5.1	112.4	E359 L444 R445 E446 V451 S452 R469 F470	E359-R449 VanDerWaalsContact CD-NH1 3.31Å; E359-R449 IonicContact OE1-CZ 3.38Å; E359-R449 IonicContact OE1-NH1 3.71Å; E359-R449 PolarHBondContact OE1-NH1 3.47Å; E359-R449 IonicContact OE2-NH1 3.79Å; E359-R449 PolarHBondContact OE2-NH1 3.44Å; L444-R449 HydrophobicContact CB-CG 4.23Å; L444-R449 PolarHBondContact O-NE 3.29Å; R445-R449 WeakPolarHBondContact O-CG 3.41Å; R445-R449 PolarHBondContact O-N 3.07Å; E446-R449 WeakPolarHBondContact O-CB 3.43Å; E446-R449 PolarHBondContact O-N 3.14Å; E446-R449 VanDerWaalsContact O-N 3.11Å; R449-V451 PolarHBondContact O-N 3.3Å; R449-V451 VanDerWaalsContact O-N 3.16Å; R449-S452 WeakPolarHBondContact O-CB 3.32Å; R449-S452 PolarHBondContact O-N 3.42Å; R449-S452 PolarHBondContact O-OG 3.4Å; R449-R469 HydrophobicContact CB-CB 4.48Å; R449-R469 HydrophobicContact CB-CG 4.11Å; R449-F470 WeakPolarHBondContact CB-O 3.38Å; R449-F470 VanDerWaalsContact CG-O 3.26Å; R449-F470 WeakPolarHBondContact CG-O 3.48Å
450	D	95	Very high	91.1	Very high	19 Å²	19	35.2 Å²	35.2	10%	0.102	18%	0.175	C	C	.	.	G	3₁₀ helix	trans	-70	-13.6	-171.5	-80.9	-14.6	0	0	0	114.8	G365 T370 W371 D448 S452 R453 R469	G365-D450 VanDerWaalsContact CA-OD2 3.23Å; G365-D450 WeakPolarHBondContact CA-OD2 3.25Å; T370-D450 WeakPolarHBondContact CA-O 3.17Å; W371-D450 PolarHBondContact N-O 3.06Å; D448-D450 VanDerWaalsContact C-N 3.32Å; D448-D450 PolarHBondContact O-N 3.47Å; D450-S452 VanDerWaalsContact C-N 3.28Å; D450-R453 VanDerWaalsContact CG-NE 3.28Å; D450-R453 WeakPolarHBondContact O-CD 3.49Å; D450-R453 WeakPolarHBondContact O-CG 3.45Å; D450-R453 IonicContact OD1-CZ 3.64Å; D450-R453 VanDerWaalsContact OD1-CZ 3.24Å; D450-R453 IonicContact OD1-NE 3.95Å; D450-R453 PolarHBondContact OD1-NE 3Å; D450-R453 IonicContact OD1-NH2 2.73Å; D450-R453 PolarHBondContact OD1-NH2 3.24Å; D450-R453 IonicContact OD2-CZ 2.74Å; D450-R453 IonicContact OD2-NE 2.61Å; D450-R453 IonicContact OD2-NH2 3.4Å; D450-R453 PolarHBondContact OD2-NH2 3.23Å; D450-R469 VanDerWaalsContact OD1-CD 3.24Å; D450-R469 WeakPolarHBondContact OD1-CD 3.5Å; D450-R469 IonicContact OD1-CZ 3.65Å; D450-R469 IonicContact OD1-NE 2.7Å; D450-R469 IonicContact OD1-NH1 3.79Å; D450-R469 PolarHBondContact OD1-NH1 3.26Å; D450-R469 IonicContact OD2-NH1 2.9Å
451	V	94	Very high	89.7	Confident	2 Å²	2	40.8 Å²	40.8	1%	0.012	21%	0.209	C	C	.	.	G	3₁₀ helix	trans	-84.7	-6.4	172.8	-55.3	0	0	0	0	112.8	L308 W310 L317 R369 W371 L403 D448 R449	L308-V451 HydrophobicContact CD1-CG2 3.46Å; L308-V451 VanDerWaalsContact CD1-CG2 3.46Å; W310-V451 HydrophobicContact CH2-CB 4.4Å; W310-V451 HydrophobicContact CH2-CG1 3.65Å; W310-V451 HydrophobicContact CH2-CG2 4.41Å; W310-V451 HydrophobicContact CZ2-CG1 3.85Å; W310-V451 HydrophobicContact CZ2-CG2 4.23Å; L317-V451 HydrophobicContact CD1-CG1 4.14Å; R369-V451 VanDerWaalsContact O-CG1 3.22Å; R369-V451 WeakPolarHBondContact O-CG1 3.46Å; W371-V451 HydrophobicContact CB-CB 4.3Å; W371-V451 WeakPolarHBondContact CB-O 3.35Å; W371-V451 CarbonylContact O-C 3.54Å; L403-V451 HydrophobicContact CD1-CB 3.94Å; L403-V451 HydrophobicContact CD1-CG2 4.08Å; L403-V451 HydrophobicContact CD2-CG2 4.44Å; L403-V451 WeakPolarHBondContact CD2-O 3.34Å; D448-V451 WeakPolarHBondContact O-CG2 3.46Å; R449-V451 PolarHBondContact O-N 3.3Å; R449-V451 VanDerWaalsContact O-N 3.16Å
452	S	95.3	Very high	88.4	Confident	2 Å²	2	43.5 Å²	43.5	1%	0.014	22%	0.221	C	C	.	.	G	3₁₀ helix	trans	-108.6	18.2	178.8	75.3	0	0	0	0	112.6	R449 D450 F470	R449-S452 WeakPolarHBondContact O-CB 3.32Å; R449-S452 PolarHBondContact O-N 3.42Å; R449-S452 PolarHBondContact O-OG 3.4Å; D450-S452 VanDerWaalsContact C-N 3.28Å; S452-F470 WeakPolarHBondContact O-CD2 3.5Å; S452-F470 WeakPolarHBondContact OG-CB 3.44Å; S452-F470 PolarHBondContact OG-N 3.31Å
453	R	96.7	Very high	87.2	Confident	6 Å²	6	51.5 Å²	51.5	2%	0.023	26%	0.264	C	S	.	.	B	Isolated β-bridge	trans	-62.9	155.3	-178.9	-71.1	170.8	-179.5	-140.6	-1.1	110.9	Q363 G365 W371 Y372 L373 D450 V467 F468 R469	Q363-R453 PolarHBondContact O-NH1 2.78Å; Q363-R453 PolarHBondContact O-NH2 2.92Å; G365-R453 VanDerWaalsContact N-NH2 3.17Å; W371-R453 WeakPolarHBondContact O-CB 3.37Å; W371-R453 PolarHBondContact O-N 3.03Å; Y372-R453 CarbonylContact C-O 3.58Å; Y372-R453 VanDerWaalsContact CA-O 3.26Å; Y372-R453 WeakPolarHBondContact CA-O 3.3Å; Y372-R453 HydrophobicContact CD1-CB 3.72Å; Y372-R453 HydrophobicContact CE1-CB 3.89Å; Y372-R453 HydrophobicContact CG-CB 4.31Å; L373-R453 PolarHBondContact N-O 2.73Å; D450-R453 VanDerWaalsContact CG-NE 3.28Å; D450-R453 WeakPolarHBondContact O-CD 3.49Å; D450-R453 WeakPolarHBondContact O-CG 3.45Å; D450-R453 IonicContact OD1-CZ 3.64Å; D450-R453 VanDerWaalsContact OD1-CZ 3.24Å; D450-R453 IonicContact OD1-NE 3.95Å; D450-R453 PolarHBondContact OD1-NE 3Å; D450-R453 IonicContact OD1-NH2 2.73Å; D450-R453 PolarHBondContact OD1-NH2 3.24Å; D450-R453 IonicContact OD2-CZ 2.74Å; D450-R453 IonicContact OD2-NE 2.61Å; D450-R453 IonicContact OD2-NH2 3.4Å; D450-R453 PolarHBondContact OD2-NH2 3.23Å; R453-V467 HydrophobicContact CB-CG1 4.15Å; R453-V467 HydrophobicContact CG-CG1 4.11Å; R453-F468 CarbonylContact C-O 3.53Å; R453-F468 WeakPolarHBondContact CA-O 3.46Å; R453-R469 HydrophobicContact CG-CB 3.87Å
454	F	96.7	Very high	86.7	Confident	0 Å²	0	59.9 Å²	59.9	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	162.1	168	65.2	-86.2	0	0	0	110.2	M349 V358 L373 F392 W456 F468 F470	M349-F454 HydrophobicContact CE-CD2 4.23Å; M349-F454 HydrophobicContact CE-CE2 3.7Å; M349-F454 HydrophobicContact CE-CZ 4.49Å; M349-F454 HydrophobicContact SD-CE2 3.6Å; M349-F454 VanDerWaalsContact SD-CE2 3.6Å; M349-F454 HydrophobicContact SD-CZ 3.91Å; V358-F454 HydrophobicContact CB-CE1 4.06Å; V358-F454 HydrophobicContact CB-CZ 4.15Å; V358-F454 HydrophobicContact CG1-CE1 3.65Å; V358-F454 HydrophobicContact CG1-CZ 3.94Å; V358-F454 HydrophobicContact CG2-CZ 4.19Å; L373-F454 WeakPolarHBondContact O-CB 3.36Å; F392-F454 HydrophobicContact CD1-CB 4.35Å; F392-F454 HydrophobicContact CD1-CD1 4.24Å; F392-F454 HydrophobicContact CD1-CG 4.22Å; F392-F454 HydrophobicContact CE1-CB 4.24Å; F392-F454 AromaticContact CE1-CD1 3.72Å; F392-F454 HydrophobicContact CE1-CD1 3.72Å; F392-F454 AromaticContact CE1-CD2 3.89Å; F392-F454 HydrophobicContact CE1-CD2 3.89Å; F392-F454 AromaticContact CE1-CE1 3.95Å; F392-F454 HydrophobicContact CE1-CE1 3.95Å; F392-F454 HydrophobicContact CE1-CE2 4.11Å; F392-F454 AromaticContact CE1-CG 3.68Å; F392-F454 HydrophobicContact CE1-CG 3.68Å; F392-F454 HydrophobicContact CE1-CZ 4.13Å; F392-F454 HydrophobicContact CZ-CE1 4.45Å; F392-F454 HydrophobicContact CZ-CZ 4.41Å; F454-W456 HydrophobicContact CD2-CB 4.29Å; F454-W456 HydrophobicContact CE2-CB 4.07Å; F454-F468 HydrophobicContact CD1-CB 4Å; F454-F468 HydrophobicContact CD2-CB 4.21Å; F454-F468 HydrophobicContact CE1-CB 3.44Å; F454-F468 VanDerWaalsContact CE1-CB 3.44Å; F454-F468 HydrophobicContact CE2-CB 3.69Å; F454-F468 HydrophobicContact CE2-CD2 4.13Å; F454-F468 HydrophobicContact CE2-CG 4.08Å; F454-F468 HydrophobicContact CG-CB 4.36Å; F454-F468 HydrophobicContact CZ-CB 3.28Å; F454-F468 HydrophobicContact CZ-CD2 4.42Å; F454-F468 AromaticContact CZ-CG 3.9Å; F454-F468 HydrophobicContact CZ-CG 3.9Å; F454-F468 PolarHBondContact N-O 2.79Å; F454-F468 PolarHBondContact O-N 2.79Å; F454-F470 HydrophobicContact CD1-CD2 4.4Å; F454-F470 HydrophobicContact CD1-CE2 4.08Å; F454-F470 HydrophobicContact CE1-CD2 4.38Å; F454-F470 HydrophobicContact CE1-CE2 4.08Å
455	L	95.9	Very high	86.5	Confident	3 Å²	3	60.1 Å²	60.1	2%	0.016	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	131.9	-176.4	-54.8	-178.2	0	0	0	109.9	Y321 A324 L325 L328 Y372 H375 P465 E466 V467	Y321-L455 HydrophobicContact CD2-CD1 4.19Å; Y321-L455 HydrophobicContact CD2-CD2 3.99Å; Y321-L455 HydrophobicContact CE2-CD1 3.86Å; Y321-L455 HydrophobicContact CE2-CD2 3.46Å; Y321-L455 VanDerWaalsContact CE2-CD2 3.46Å; Y321-L455 HydrophobicContact CE2-CG 4.31Å; A324-L455 HydrophobicContact CB-CD1 4.15Å; L325-L455 HydrophobicContact CB-CD1 3.79Å; L325-L455 HydrophobicContact CD1-CD1 4.28Å; L328-L455 HydrophobicContact CD2-CB 3.8Å; Y372-L455 HydrophobicContact CD1-CD2 3.66Å; Y372-L455 HydrophobicContact CD1-CG 4.19Å; Y372-L455 HydrophobicContact CE1-CD2 3.87Å; H375-L455 PolarHBondContact NE2-O 3.29Å; L455-P465 HydrophobicContact CB-CB 4.15Å; L455-P465 HydrophobicContact CB-CG 4.11Å; L455-P465 HydrophobicContact CD1-CG 4.31Å; L455-E466 WeakPolarHBondContact CA-O 3.31Å; L455-V467 HydrophobicContact CD2-CG2 3.83Å
456	W	94.6	Very high	86.5	Confident	11 Å²	11	59 Å²	59	4%	0.042	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	145.8	178.6	-179.1	-115.6	0	0	0	112.1	L328 Y345 M349 H375 F454 E466 F468	L328-W456 HydrophobicContact CD1-CE3 4.4Å; Y345-W456 AromaticContact CD1-CH2 3.36Å; Y345-W456 HydrophobicContact CD1-CH2 3.36Å; Y345-W456 HydrophobicContact CD1-CZ2 4.29Å; Y345-W456 AromaticContact CD1-CZ3 3.58Å; Y345-W456 HydrophobicContact CD1-CZ3 3.58Å; Y345-W456 HydrophobicContact CE1-CE3 4.11Å; Y345-W456 AromaticContact CE1-CH2 3.64Å; Y345-W456 HydrophobicContact CE1-CH2 3.64Å; Y345-W456 AromaticContact CE1-CZ3 3.31Å; Y345-W456 HydrophobicContact CE1-CZ3 3.31Å; Y345-W456 HydrophobicContact CG-CH2 4.48Å; M349-W456 HydrophobicContact CB-CZ2 4.02Å; M349-W456 HydrophobicContact CE-CD2 4.11Å; M349-W456 HydrophobicContact CE-CE3 4.14Å; M349-W456 HydrophobicContact CE-CG 4.36Å; M349-W456 HydrophobicContact CG-CD2 3.87Å; M349-W456 HydrophobicContact CG-CG 3.95Å; M349-W456 HydrophobicContact CG-CZ2 4.17Å; H375-W456 AromaticContact CE1-CE3 3.72Å; F454-W456 HydrophobicContact CD2-CB 4.29Å; F454-W456 HydrophobicContact CE2-CB 4.07Å; W456-E466 PolarHBondContact N-O 3.15Å; W456-E466 WeakPolarHBondContact O-CB 3.49Å; W456-E466 PolarHBondContact O-N 2.95Å; W456-F468 HydrophobicContact CB-CD2 3.88Å; W456-F468 HydrophobicContact CB-CE2 3.9Å; W456-F468 HydrophobicContact CG-CE2 4.4Å
457	R	90.3	Very high	86.6	Confident	24 Å²	24	54.3 Å²	54.3	9%	0.091	27%	0.274	C	S	.	.			trans	-148.5	145.2	168.5	55.9	-174.8	176.4	-179.8	7	109.2	E332 S459 E462 P465	E332-R457 WeakPolarHBondContact OE1-CG 3.42Å; E332-R457 IonicContact OE1-CZ 3.49Å; E332-R457 IonicContact OE1-NE 2.8Å; E332-R457 PolarHBondContact OE1-NE 3.29Å; E332-R457 IonicContact OE1-NH2 3.15Å; E332-R457 PolarHBondContact OE1-NH2 2.89Å; E332-R457 IonicContact OE2-CZ 3.78Å; E332-R457 IonicContact OE2-NE 3.28Å; E332-R457 IonicContact OE2-NH2 2.96Å; E332-R457 PolarHBondContact OE2-NH2 3.31Å; R457-S459 WeakPolarHBondContact CD-O 3.37Å; R457-E462 PolarHBondContact NH1-O 2.98Å; R457-P465 HydrophobicContact CB-CB 4.41Å; R457-P465 HydrophobicContact CG-CB 4.28Å
458	S	75.2	Confident	86.9	Confident	89 Å²	89	48 Å²	48	62%	0.622	24%	0.244	S	C	*	.	S	Bend	trans	-77.1	-28.4	-176.9	68.1	0	0	0	0	112.6
459	S	70.7	Confident	87.1	Confident	45 Å²	45	48 Å²	48	32%	0.315	24%	0.243	S	C	.	.			trans	-129.5	141.9	179.3	-178	0	0	0	0	111.2	R457 T461	R457-S459 WeakPolarHBondContact CD-O 3.37Å; S459-T461 WeakPolarHBondContact CB-OG1 3.29Å; S459-T461 PolarHBondContact O-N 2.92Å; S459-T461 PolarHBondContact OG-N 3.38Å; S459-T461 PolarHBondContact OG-OG1 3.34Å
460	Q	69.7	Low	87.2	Confident	100 Å²	100	45.9 Å²	45.9	47%	0.467	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-8.3	174.9	-64.8	-178.4	26.2	0	0	112.9	E332 E462	E332-Q460 HydrophobicContact CB-CG 4.25Å; E332-Q460 HydrophobicContact CG-CG 4.44Å; E332-Q460 PolarHBondContact O-NE2 2.78Å; E332-Q460 VanDerWaalsContact O-NE2 3.12Å; Q460-E462 VanDerWaalsContact C-N 3.35Å
461	T	62.9	Low	87.3	Confident	120 Å²	120	45.3 Å²	45.3	74%	0.736	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.2	-17.6	-179.4	55.9	0	0	0	0	113.8	S459	S459-T461 WeakPolarHBondContact CB-OG1 3.29Å; S459-T461 PolarHBondContact O-N 2.92Å; S459-T461 PolarHBondContact OG-N 3.38Å; S459-T461 PolarHBondContact OG-OG1 3.34Å
462	E	66	Low	87.4	Confident	79 Å²	79	47.4 Å²	47.4	37%	0.369	24%	0.24	S	C	.	.	S	Bend	trans	-81.6	125.1	177.8	-68.9	174.3	-173.6	0	0	110	R457 Q460 R464	R457-E462 PolarHBondContact NH1-O 2.98Å; Q460-E462 VanDerWaalsContact C-N 3.35Å; E462-R464 VanDerWaalsContact C-N 3.3Å; E462-R464 PolarHBondContact O-N 3.43Å
463	D	69.6	Low	87.3	Confident	170 Å²	170	47.3 Å²	47.3	91%	0.909	24%	0.239	S	C	*	.	S	Bend	trans	-60.8	-35.5	-175.2	-92.3	-24.9	0	0	0	113.9
464	R	85.8	Confident	87	Confident	186 Å²	186	47 Å²	47	70%	0.702	24%	0.238	S	C	*	.	S	Bend	trans	-122.1	123.9	-174.5	-173.3	177.3	179.5	178.5	-0.5	111.1	E462	E462-R464 VanDerWaalsContact C-N 3.3Å; E462-R464 PolarHBondContact O-N 3.43Å
465	P	92.2	Very high	86.6	Confident	5 Å²	5	51.6 Å²	51.6	3%	0.032	26%	0.258	C	S	.	.	P	Polyproline II helix	trans	-68.7	147.6	174.5	29.7	-34.3	0	0	0	111.3	L325 L328 L455 R457	L325-P465 HydrophobicContact CD1-CG 3.68Å; L328-P465 HydrophobicContact CD2-CB 3.74Å; L328-P465 HydrophobicContact CD2-CG 4.05Å; L455-P465 HydrophobicContact CB-CB 4.15Å; L455-P465 HydrophobicContact CB-CG 4.11Å; L455-P465 HydrophobicContact CD1-CG 4.31Å; R457-P465 HydrophobicContact CB-CB 4.41Å; R457-P465 HydrophobicContact CG-CB 4.28Å
466	E	93.9	Very high	86.2	Confident	67 Å²	67	53.4 Å²	53.4	31%	0.313	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	152.8	172.5	-56.1	-179	122	0	0	110.4	K360 L455 W456 F468	K360-E466 VanDerWaalsContact CE-OE1 3.25Å; K360-E466 WeakPolarHBondContact CE-OE1 3.29Å; K360-E466 IonicContact NZ-OE1 3.66Å; K360-E466 PolarHBondContact NZ-OE1 3.06Å; L455-E466 WeakPolarHBondContact CA-O 3.31Å; W456-E466 PolarHBondContact N-O 3.15Å; W456-E466 WeakPolarHBondContact O-CB 3.49Å; W456-E466 PolarHBondContact O-N 2.95Å; E466-F468 HydrophobicContact CB-CD2 4.4Å; E466-F468 HydrophobicContact CB-CE2 3.78Å; E466-F468 HydrophobicContact CB-CZ 4.48Å
467	V	95.9	Very high	86.1	Confident	16 Å²	16	53.2 Å²	53.2	10%	0.097	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	124.6	177	-176.7	0	0	0	0	109	K360 T361 Y372 R453 L455	K360-V467 WeakPolarHBondContact CA-O 3.25Å; T361-V467 HydrophobicContact CG2-CB 4.34Å; T361-V467 HydrophobicContact CG2-CG1 3.8Å; T361-V467 PolarHBondContact N-O 2.73Å; Y372-V467 HydrophobicContact CD1-CG1 4.49Å; Y372-V467 HydrophobicContact CE1-CG1 3.77Å; Y372-V467 HydrophobicContact CE1-CG2 4.24Å; R453-V467 HydrophobicContact CB-CG1 4.15Å; R453-V467 HydrophobicContact CG-CG1 4.11Å; L455-V467 HydrophobicContact CD2-CG2 3.83Å
468	F	97.1	Very high	86.1	Confident	9 Å²	9	54.6 Å²	54.6	4%	0.039	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	156.7	171.7	-68.4	-94.3	0	0	0	109.5	I353 V358 E359 K360 R453 F454 W456 E466	I353-F468 HydrophobicContact CD1-CE1 3.77Å; I353-F468 HydrophobicContact CD1-CZ 3.84Å; I353-F468 HydrophobicContact CG1-CD1 4.33Å; I353-F468 HydrophobicContact CG1-CE1 3.87Å; I353-F468 HydrophobicContact CG1-CZ 4.44Å; V358-F468 HydrophobicContact CG2-CD1 4.16Å; E359-F468 CarbonylContact O-C 3.54Å; E359-F468 VanDerWaalsContact O-CA 3.23Å; E359-F468 WeakPolarHBondContact O-CA 3.48Å; K360-F468 HydrophobicContact CB-CD1 4.18Å; K360-F468 HydrophobicContact CB-CE1 3.94Å; K360-F468 HydrophobicContact CB-CZ 4.47Å; R453-F468 CarbonylContact C-O 3.53Å; R453-F468 WeakPolarHBondContact CA-O 3.46Å; F454-F468 HydrophobicContact CD1-CB 4Å; F454-F468 HydrophobicContact CD2-CB 4.21Å; F454-F468 HydrophobicContact CE1-CB 3.44Å; F454-F468 VanDerWaalsContact CE1-CB 3.44Å; F454-F468 HydrophobicContact CE2-CB 3.69Å; F454-F468 HydrophobicContact CE2-CD2 4.13Å; F454-F468 HydrophobicContact CE2-CG 4.08Å; F454-F468 HydrophobicContact CG-CB 4.36Å; F454-F468 HydrophobicContact CZ-CB 3.28Å; F454-F468 HydrophobicContact CZ-CD2 4.42Å; F454-F468 AromaticContact CZ-CG 3.9Å; F454-F468 HydrophobicContact CZ-CG 3.9Å; F454-F468 PolarHBondContact N-O 2.79Å; F454-F468 PolarHBondContact O-N 2.79Å; W456-F468 HydrophobicContact CB-CD2 3.88Å; W456-F468 HydrophobicContact CB-CE2 3.9Å; W456-F468 HydrophobicContact CG-CE2 4.4Å; E466-F468 HydrophobicContact CB-CD2 4.4Å; E466-F468 HydrophobicContact CB-CE2 3.78Å; E466-F468 HydrophobicContact CB-CZ 4.48Å
469	R	96.9	Very high	86.9	Confident	11 Å²	11	50.3 Å²	50.3	4%	0.042	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	151.9	170	64.1	-174.7	-175.3	-174.1	3.2	110.3	V358 E359 T361 E446 R449 D450 R453	V358-R469 CarbonylContact C-O 3.58Å; V358-R469 WeakPolarHBondContact CA-O 3.42Å; E359-R469 HydrophobicContact CG-CG 3.77Å; E359-R469 PolarHBondContact N-O 3.49Å; E359-R469 PolarHBondContact O-N 3.19Å; E359-R469 IonicContact OE1-CZ 2.67Å; E359-R469 VanDerWaalsContact OE1-CZ 3.27Å; E359-R469 IonicContact OE1-NE 2.97Å; E359-R469 PolarHBondContact OE1-NE 3.35Å; E359-R469 IonicContact OE1-NH2 3.72Å; E359-R469 PolarHBondContact OE1-NH2 2.97Å; T361-R469 HydrophobicContact CG2-CB 4.45Å; T361-R469 HydrophobicContact CG2-CG 4.13Å; E446-R469 IonicContact OE1-NH2 2.6Å; R449-R469 HydrophobicContact CB-CB 4.48Å; R449-R469 HydrophobicContact CB-CG 4.11Å; D450-R469 VanDerWaalsContact OD1-CD 3.24Å; D450-R469 WeakPolarHBondContact OD1-CD 3.5Å; D450-R469 IonicContact OD1-CZ 3.65Å; D450-R469 IonicContact OD1-NE 2.7Å; D450-R469 IonicContact OD1-NH1 3.79Å; D450-R469 PolarHBondContact OD1-NH1 3.26Å; D450-R469 IonicContact OD2-NH1 2.9Å; R453-R469 HydrophobicContact CG-CB 3.87Å
470	F	97.4	Very high	88	Confident	0 Å²	0	48.2 Å²	48.2	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74	139.6	177.1	-77.8	-94.5	0	0	0	111.5	Y352 W357 V358 L373 F392 M440 L444 R449 S452 F454 R472 C474	Y352-F470 AromaticContact CD1-CE1 3.82Å; Y352-F470 HydrophobicContact CD1-CE1 3.82Å; Y352-F470 HydrophobicContact CD1-CZ 4.24Å; Y352-F470 AromaticContact CE1-CE1 3.81Å; Y352-F470 HydrophobicContact CE1-CE1 3.81Å; Y352-F470 HydrophobicContact CE1-CZ 4.13Å; W357-F470 WeakPolarHBondContact O-CA 3.3Å; V358-F470 HydrophobicContact CG1-CD1 3.72Å; V358-F470 HydrophobicContact CG1-CD2 4.36Å; V358-F470 HydrophobicContact CG1-CE1 3.79Å; V358-F470 HydrophobicContact CG1-CE2 4.42Å; V358-F470 HydrophobicContact CG1-CG 4.02Å; V358-F470 HydrophobicContact CG1-CZ 4.15Å; L373-F470 HydrophobicContact CD1-CE2 4.39Å; F392-F470 AromaticContact CD1-CE2 3.78Å; F392-F470 HydrophobicContact CD1-CE2 3.78Å; F392-F470 HydrophobicContact CD1-CZ 4.05Å; F392-F470 HydrophobicContact CD2-CE2 4.17Å; F392-F470 AromaticContact CD2-CZ 3.65Å; F392-F470 HydrophobicContact CD2-CZ 3.65Å; F392-F470 AromaticContact CE1-CE2 3.92Å; F392-F470 HydrophobicContact CE1-CE2 3.92Å; F392-F470 AromaticContact CE1-CZ 3.97Å; F392-F470 HydrophobicContact CE1-CZ 3.97Å; F392-F470 HydrophobicContact CE2-CE2 4.31Å; F392-F470 AromaticContact CE2-CZ 3.59Å; F392-F470 HydrophobicContact CE2-CZ 3.59Å; F392-F470 AromaticContact CG-CE2 3.9Å; F392-F470 HydrophobicContact CG-CE2 3.9Å; F392-F470 AromaticContact CG-CZ 3.89Å; F392-F470 HydrophobicContact CG-CZ 3.89Å; F392-F470 HydrophobicContact CZ-CE2 4.18Å; F392-F470 AromaticContact CZ-CZ 3.74Å; F392-F470 HydrophobicContact CZ-CZ 3.74Å; M440-F470 HydrophobicContact CE-CE1 4.07Å; M440-F470 HydrophobicContact SD-CE1 4.36Å; L444-F470 HydrophobicContact CD1-CB 4.33Å; R449-F470 WeakPolarHBondContact CB-O 3.38Å; R449-F470 VanDerWaalsContact CG-O 3.26Å; R449-F470 WeakPolarHBondContact CG-O 3.48Å; S452-F470 WeakPolarHBondContact O-CD2 3.5Å; S452-F470 WeakPolarHBondContact OG-CB 3.44Å; S452-F470 PolarHBondContact OG-N 3.31Å; F454-F470 HydrophobicContact CD1-CD2 4.4Å; F454-F470 HydrophobicContact CD1-CE2 4.08Å; F454-F470 HydrophobicContact CE1-CD2 4.38Å; F454-F470 HydrophobicContact CE1-CE2 4.08Å; F470-R472 WeakPolarHBondContact CB-O 3.24Å; F470-C474 HydrophobicContact CD1-CB 3.57Å; F470-C474 HydrophobicContact CD2-CB 3.83Å; F470-C474 HydrophobicContact CE1-CB 3.53Å; F470-C474 HydrophobicContact CE2-CB 3.8Å; F470-C474 HydrophobicContact CG-CB 3.72Å; F470-C474 HydrophobicContact CZ-CB 3.65Å
471	T	97	Very high	89	Confident	6 Å²	6	45.3 Å²	45.3	4%	0.037	23%	0.232	C	C	.	.	S	Bend	trans	-98.8	-7	169.6	62	0	0	0	0	111.5	G356 W357 E359 C443 L444	G356-T471 PolarHBondContact O-OG1 2.95Å; W357-T471 WeakPolarHBondContact CA-OG1 3.31Å; W357-T471 PolarHBondContact O-N 3.04Å; W357-T471 PolarHBondContact O-OG1 3.29Å; W357-T471 VanDerWaalsContact O-OG1 3.1Å; E359-T471 HydrophobicContact CB-CG2 3.89Å; E359-T471 HydrophobicContact CG-CG2 3.74Å; E359-T471 WeakPolarHBondContact OE2-CG2 3.24Å; C443-T471 WeakPolarHBondContact CA-O 3.4Å; L444-T471 PolarHBondContact N-O 2.91Å
472	R	95.5	Very high	90.4	Very high	46 Å²	46	39.7 Å²	39.7	17%	0.174	20%	0.197	C	C	.	.	B	Isolated β-bridge	trans	-129.4	156.9	-177.3	-57.9	-66.5	-175.9	-89.5	4.6	110.2	W357 M440 V442 C443 L444 F470 C474	W357-R472 HydrophobicContact CB-CG 4.32Å; W357-R472 HydrophobicContact CG-CG 4.49Å; M440-R472 WeakPolarHBondContact O-CD 3.35Å; M440-R472 VanDerWaalsContact O-CG 3.24Å; M440-R472 WeakPolarHBondContact O-CG 3.44Å; M440-R472 PolarHBondContact O-NE 2.69Å; M440-R472 HydrophobicContact SD-CB 4.15Å; V442-R472 CarbonylContact O-C 3.45Å; V442-R472 WeakPolarHBondContact O-CA 3.34Å; V442-R472 WeakPolarHBondContact O-CB 3.38Å; V442-R472 WeakPolarHBondContact O-CD 3.42Å; C443-R472 PolarHBondContact SG-NH1 3.42Å; C443-R472 VanDerWaalsContact SG-NH1 3.36Å; L444-R472 VanDerWaalsContact CD1-O 3.29Å; L444-R472 WeakPolarHBondContact CD1-O 3.19Å; F470-R472 WeakPolarHBondContact CB-O 3.24Å; R472-C474 PolarHBondContact O-N 3.47Å
473	I	94.4	Very high	91.8	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.18	C	C	.	.	P	Polyproline II helix	trans	-62.3	126.9	175.2	60.4	175.2	0	0	0	109.6	V306 F439 M440 V442 L444 L483 A484	V306-I473 HydrophobicContact CG2-CG2 3.75Å; F439-I473 HydrophobicContact CB-CD1 4.25Å; F439-I473 HydrophobicContact CB-CG1 4.01Å; F439-I473 HydrophobicContact CD1-CD1 4.46Å; F439-I473 WeakPolarHBondContact O-CG1 3.42Å; M440-I473 WeakPolarHBondContact CE-O 3.29Å; V442-I473 HydrophobicContact CB-CD1 3.83Å; V442-I473 HydrophobicContact CB-CG1 3.99Å; V442-I473 HydrophobicContact CG1-CD1 4.25Å; V442-I473 HydrophobicContact CG1-CG2 4.44Å; V442-I473 HydrophobicContact CG2-CD1 4.25Å; V442-I473 PolarHBondContact O-N 2.91Å; L444-I473 HydrophobicContact CD2-CG2 3.59Å; L444-I473 HydrophobicContact CG-CG2 3.9Å; I473-L483 HydrophobicContact CD1-CB 4.19Å; I473-L483 HydrophobicContact CG2-CD1 4.1Å; I473-A484 HydrophobicContact CD1-CB 3.95Å
474	C	90.6	Very high	92.9	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	14%	0.136	C	C	.	.	P	Polyproline II helix	trans	-94.1	153.5	-174.2	70.7	0	0	0	0	112.5	M440 F470 R472 S480	M440-C474 HydrophobicContact CE-CB 4.32Å; F470-C474 HydrophobicContact CD1-CB 3.57Å; F470-C474 HydrophobicContact CD2-CB 3.83Å; F470-C474 HydrophobicContact CE1-CB 3.53Å; F470-C474 HydrophobicContact CE2-CB 3.8Å; F470-C474 HydrophobicContact CG-CB 3.72Å; F470-C474 HydrophobicContact CZ-CB 3.65Å; R472-C474 PolarHBondContact O-N 3.47Å; C474-S480 PolarHBondContact O-OG 3.11Å
475	F	87.6	Confident	93.2	Very high	97 Å²	97	19.4 Å²	19.4	43%	0.425	11%	0.105	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	139.7	169.5	-70.8	-88.7	0	0	0	110.2	F439 M440	F439-F475 HydrophobicContact CB-CE2 4.49Å; F439-F475 HydrophobicContact CB-CZ 4.41Å; F439-F475 AromaticContact CD2-CD1 3.4Å; F439-F475 HydrophobicContact CD2-CD1 3.4Å; F439-F475 VanDerWaalsContact CD2-CD1 3.4Å; F439-F475 HydrophobicContact CD2-CD2 4.39Å; F439-F475 AromaticContact CD2-CE1 3.27Å; F439-F475 HydrophobicContact CD2-CE1 3.27Å; F439-F475 HydrophobicContact CD2-CE2 4.29Å; F439-F475 AromaticContact CD2-CG 3.98Å; F439-F475 HydrophobicContact CD2-CG 3.98Å; F439-F475 AromaticContact CD2-CZ 3.75Å; F439-F475 HydrophobicContact CD2-CZ 3.75Å; F439-F475 AromaticContact CE2-CD1 3.61Å; F439-F475 HydrophobicContact CE2-CD1 3.61Å; F439-F475 AromaticContact CE2-CE1 3.51Å; F439-F475 HydrophobicContact CE2-CE1 3.51Å; F439-F475 HydrophobicContact CE2-CZ 4.38Å; F439-F475 HydrophobicContact CG-CE1 4.25Å; F439-F475 HydrophobicContact CG-CZ 4.35Å; M440-F475 HydrophobicContact CE-CD2 3.69Å; M440-F475 HydrophobicContact CE-CE2 4Å
476	G	86.8	Confident	93.2	Very high	40 Å²	40	20.2 Å²	20.2	41%	0.412	11%	0.109	S	C	.	.	T	Hydrogen-bonded Turn	trans	110.8	-26.8	176.9	0	0	0	0	0	113.2	T394 N404 N478	T394-G476 PolarHBondContact OG1-O 2.83Å; N404-G476 PolarHBondContact ND2-O 3.06Å; N404-G476 PolarHBondContact OD1-O 3.02Å; G476-N478 PolarHBondContact O-N 3.38Å
477	L	92.7	Very high	93.2	Very high	7 Å²	7	17 Å²	17	4%	0.037	9%	0.094	C	C	.	.			trans	-64.8	131.1	172.5	-55.8	169.4	0	0	0	109.1	L308 T394 L403 N404 L407 C479 S480	L308-L477 HydrophobicContact CD2-CD1 4.12Å; T394-L477 HydrophobicContact CG2-CD2 3.67Å; T394-L477 HydrophobicContact CG2-CG 4.18Å; L403-L477 HydrophobicContact CD2-CD2 3.49Å; L403-L477 VanDerWaalsContact CD2-CD2 3.49Å; L403-L477 HydrophobicContact CG-CD2 4.08Å; N404-L477 WeakPolarHBondContact OD1-CA 3.48Å; L407-L477 HydrophobicContact CD1-CD2 3.87Å; L477-C479 PolarHBondContact O-N 2.97Å; L477-S480 WeakPolarHBondContact CB-OG 3.43Å; L477-S480 PolarHBondContact O-N 3.41Å
478	N	89.7	Confident	93.1	Very high	53 Å²	53	16.4 Å²	16.4	28%	0.283	9%	0.09	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61	-26	177.8	62.5	-5	0	0	0	112.6	N404 L407 G476	N404-N478 HydrophobicContact CB-CB 4.45Å; N404-N478 PolarHBondContact O-ND2 3.19Å; N404-N478 PolarHBondContact OD1-N 3.12Å; N404-N478 VanDerWaalsContact OD1-N 3.07Å; L407-N478 PolarHBondContact O-ND2 3.49Å; G476-N478 PolarHBondContact O-N 3.38Å
479	C	92.5	Very high	92.9	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89	-13.6	180	63.8	0	0	0	0	114.7	P309 I408 S409 L477 F482 L483	P309-C479 HydrophobicContact CG-CB 3.77Å; I408-C479 VanDerWaalsContact O-CB 3.25Å; I408-C479 WeakPolarHBondContact O-CB 3.48Å; S409-C479 WeakPolarHBondContact O-CA 2.96Å; L477-C479 PolarHBondContact O-N 2.97Å; C479-F482 WeakPolarHBondContact O-CB 3.38Å; C479-F482 PolarHBondContact O-N 2.68Å; C479-F482 VanDerWaalsContact O-N 3.12Å; C479-L483 HydrophobicContact CB-CD1 4.35Å; C479-L483 HydrophobicContact CB-CG 4.48Å; C479-L483 WeakPolarHBondContact O-CG 3.18Å; C479-L483 PolarHBondContact O-N 2.91Å
480	S	93.6	Very high	92.7	Very high	1 Å²	1	23.1 Å²	23.1	1%	0.007	12%	0.115	C	C	.	.	H	α-helix	trans	-55.7	-43.3	-177.1	-74.9	0	0	0	0	114.6	C474 L477 F482 L483 A484	C474-S480 PolarHBondContact O-OG 3.11Å; L477-S480 WeakPolarHBondContact CB-OG 3.43Å; L477-S480 PolarHBondContact O-N 3.41Å; S480-F482 VanDerWaalsContact C-N 3.33Å; S480-F482 PolarHBondContact O-N 3.21Å; S480-L483 PolarHBondContact O-N 2.95Å; S480-A484 WeakPolarHBondContact O-CB 3.43Å; S480-A484 PolarHBondContact O-N 3.48Å
481	P	91.8	Very high	92.6	Very high	38 Å²	38	23.3 Å²	23.3	25%	0.247	12%	0.116	C	C	.	.	H	α-helix	trans	-61.7	-41.1	177.1	-23.3	34.7	0	0	0	112.7	F439 L485	F439-P481 HydrophobicContact CZ-CB 4.41Å; F439-P481 HydrophobicContact CZ-CG 4.14Å; P481-L485 WeakPolarHBondContact O-CB 3.48Å; P481-L485 WeakPolarHBondContact O-CD1 3.27Å; P481-L485 WeakPolarHBondContact O-CG 3.42Å; P481-L485 PolarHBondContact O-N 2.81Å; P481-L485 VanDerWaalsContact O-N 3.15Å
482	F	92.4	Very high	92.4	Very high	3 Å²	3	23.1 Å²	23.1	1%	0.013	12%	0.115	C	C	.	.	H	α-helix	trans	-62.5	-52	175.8	160.7	-106.9	0	0	0	110.7	A291 S409 P411 L413 C479 S480 A484 L485 N486	A291-F482 HydrophobicContact CB-CE1 4.42Å; A291-F482 HydrophobicContact CB-CZ 4Å; S409-F482 WeakPolarHBondContact O-CB 3.44Å; P411-F482 HydrophobicContact CG-CD2 3.93Å; P411-F482 HydrophobicContact CG-CE2 3.82Å; L413-F482 HydrophobicContact CD1-CD2 3.59Å; L413-F482 HydrophobicContact CD1-CE2 3.83Å; L413-F482 HydrophobicContact CG-CD2 3.98Å; L413-F482 HydrophobicContact CG-CE2 4.44Å; C479-F482 WeakPolarHBondContact O-CB 3.38Å; C479-F482 PolarHBondContact O-N 2.68Å; C479-F482 VanDerWaalsContact O-N 3.12Å; S480-F482 VanDerWaalsContact C-N 3.33Å; S480-F482 PolarHBondContact O-N 3.21Å; F482-A484 PolarHBondContact O-N 3.36Å; F482-L485 PolarHBondContact O-N 3.38Å; F482-N486 HydrophobicContact CE2-CB 4.18Å; F482-N486 HydrophobicContact CZ-CB 4.42Å; F482-N486 WeakPolarHBondContact O-CB 3.21Å; F482-N486 PolarHBondContact O-N 3.02Å
483	L	94	Very high	92.2	Very high	1 Å²	1	27.1 Å²	27.1	1%	0.005	14%	0.136	C	C	.	.	H	α-helix	trans	-58.8	-46.7	-177.4	-67	174.7	0	0	0	112	C295 V306 L308 I473 C479 S480 N486 V487	C295-L483 HydrophobicContact CB-CD2 4.4Å; C295-L483 WeakPolarHBondContact SG-CD2 3.25Å; V306-L483 HydrophobicContact CB-CD2 4.38Å; V306-L483 HydrophobicContact CG2-CB 4.42Å; V306-L483 HydrophobicContact CG2-CD1 4.07Å; V306-L483 HydrophobicContact CG2-CD2 4.33Å; L308-L483 HydrophobicContact CD2-CD1 4.24Å; I473-L483 HydrophobicContact CD1-CB 4.19Å; I473-L483 HydrophobicContact CG2-CD1 4.1Å; C479-L483 HydrophobicContact CB-CD1 4.35Å; C479-L483 HydrophobicContact CB-CG 4.48Å; C479-L483 WeakPolarHBondContact O-CG 3.18Å; C479-L483 PolarHBondContact O-N 2.91Å; S480-L483 PolarHBondContact O-N 2.95Å; L483-N486 PolarHBondContact O-N 3.14Å; L483-V487 WeakPolarHBondContact O-CB 3.08Å; L483-V487 WeakPolarHBondContact O-CG2 3.45Å; L483-V487 PolarHBondContact O-N 3.09Å
484	A	93.7	Very high	92.1	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-64.6	-45.1	-179.5	0	0	0	0	0	112.5	M438 F439 I473 S480 F482 L488	M438-A484 HydrophobicContact CE-CB 3.88Å; M438-A484 HydrophobicContact CG-CB 4.34Å; M438-A484 HydrophobicContact SD-CB 3.99Å; F439-A484 HydrophobicContact CD1-CB 3.53Å; F439-A484 HydrophobicContact CE1-CB 3.78Å; I473-A484 HydrophobicContact CD1-CB 3.95Å; S480-A484 WeakPolarHBondContact O-CB 3.43Å; S480-A484 PolarHBondContact O-N 3.48Å; F482-A484 PolarHBondContact O-N 3.36Å; A484-L488 WeakPolarHBondContact O-CB 3.49Å; A484-L488 PolarHBondContact O-N 3.42Å
485	L	92.6	Very high	92	Very high	7 Å²	7	34.9 Å²	34.9	4%	0.037	17%	0.172	C	C	.	.	H	α-helix	trans	-70.4	-36.6	179.2	-73.8	167.9	0	0	0	112.2	L413 Q414 M438 P481 F482 L488 R489	L413-L485 HydrophobicContact CB-CB 4.03Å; L413-L485 HydrophobicContact CB-CD1 4.24Å; L413-L485 HydrophobicContact CD1-CB 4.35Å; Q414-L485 HydrophobicContact CG-CD1 3.76Å; M438-L485 HydrophobicContact CE-CD2 3.8Å; M438-L485 HydrophobicContact CE-CG 4.14Å; P481-L485 WeakPolarHBondContact O-CB 3.48Å; P481-L485 WeakPolarHBondContact O-CD1 3.27Å; P481-L485 WeakPolarHBondContact O-CG 3.42Å; P481-L485 PolarHBondContact O-N 2.81Å; P481-L485 VanDerWaalsContact O-N 3.15Å; F482-L485 PolarHBondContact O-N 3.38Å; L485-L488 PolarHBondContact O-N 3.13Å; L485-R489 WeakPolarHBondContact O-CB 3.24Å; L485-R489 VanDerWaalsContact O-CG 3.29Å; L485-R489 WeakPolarHBondContact O-CG 3.47Å; L485-R489 PolarHBondContact O-N 3.24Å
486	N	92.4	Very high	91.9	Very high	22 Å²	22	32.6 Å²	32.6	12%	0.118	17%	0.168	C	C	.	.	H	α-helix	trans	-63.2	-45.2	176.9	-169.5	41.4	0	0	0	111	N292 L413 F482 L483 R489 R490	N292-N486 PolarHBondContact OD1-ND2 3.23Å; N292-N486 PolarHBondContact OD1-OD1 2.96Å; L413-N486 HydrophobicContact CD1-CB 3.87Å; F482-N486 HydrophobicContact CE2-CB 4.18Å; F482-N486 HydrophobicContact CZ-CB 4.42Å; F482-N486 WeakPolarHBondContact O-CB 3.21Å; F482-N486 PolarHBondContact O-N 3.02Å; L483-N486 PolarHBondContact O-N 3.14Å; N486-R489 PolarHBondContact O-N 2.98Å; N486-R490 WeakPolarHBondContact O-CB 3.23Å; N486-R490 PolarHBondContact O-N 2.96Å
487	V	93.7	Very high	92	Very high	1 Å²	1	36.2 Å²	36.2	1%	0.006	18%	0.184	C	C	.	.	H	α-helix	trans	-59.6	-47.9	174.1	163.7	0	0	0	0	111.2	V297 Y304 V306 V442 L483 R490 H491 F541	V297-V487 HydrophobicContact CG1-CG2 4.33Å; Y304-V487 HydrophobicContact CD1-CG1 4.22Å; Y304-V487 HydrophobicContact CD2-CG1 3.47Å; Y304-V487 VanDerWaalsContact CD2-CG1 3.47Å; Y304-V487 HydrophobicContact CE2-CG1 4.23Å; Y304-V487 HydrophobicContact CG-CB 4.49Å; Y304-V487 HydrophobicContact CG-CG1 3.47Å; Y304-V487 VanDerWaalsContact CG-CG1 3.47Å; Y304-V487 HydrophobicContact CG-CG2 4.33Å; V306-V487 HydrophobicContact CG1-CG2 3.52Å; V442-V487 HydrophobicContact CG1-CG2 4.11Å; V442-V487 HydrophobicContact CG2-CB 4.38Å; V442-V487 HydrophobicContact CG2-CG1 4.16Å; L483-V487 WeakPolarHBondContact O-CB 3.08Å; L483-V487 WeakPolarHBondContact O-CG2 3.45Å; L483-V487 PolarHBondContact O-N 3.09Å; V487-R490 PolarHBondContact O-N 3Å; V487-H491 WeakPolarHBondContact O-CB 3.49Å; V487-H491 PolarHBondContact O-N 3.26Å; V487-F541 HydrophobicContact CG1-CE2 3.89Å; V487-F541 HydrophobicContact CG1-CZ 3.85Å
488	L	93.8	Very high	91.9	Very high	3 Å²	3	44 Å²	44	2%	0.016	22%	0.22	C	C	.	.	H	α-helix	trans	-60.6	-50.2	179.7	-176.1	147.9	0	0	0	111.5	I435 M438 A484 L485 R490 H491 V492 I506 M510 L536 F541	I435-L488 HydrophobicContact CD1-CD1 3.47Å; I435-L488 VanDerWaalsContact CD1-CD1 3.47Å; M438-L488 HydrophobicContact CE-CB 4.4Å; M438-L488 HydrophobicContact CE-CD1 3.93Å; A484-L488 WeakPolarHBondContact O-CB 3.49Å; A484-L488 PolarHBondContact O-N 3.42Å; L485-L488 PolarHBondContact O-N 3.13Å; L488-R490 PolarHBondContact O-N 2.99Å; L488-H491 PolarHBondContact O-N 2.81Å; L488-V492 WeakPolarHBondContact O-CG2 3.49Å; L488-V492 PolarHBondContact O-N 3.45Å; L488-V492 VanDerWaalsContact O-N 3.1Å; L488-I506 HydrophobicContact CD2-CG2 3.75Å; L488-M510 HydrophobicContact CD1-CE 3.77Å; L488-M510 HydrophobicContact CD1-SD 3.46Å; L488-M510 WeakPolarHBondContact CD1-SD 2.98Å; L488-M510 HydrophobicContact CD2-SD 3.78Å; L488-M510 HydrophobicContact CG-SD 4.25Å; L488-L536 HydrophobicContact CD1-CD2 4.02Å; L488-L536 HydrophobicContact CG-CD2 4.04Å; L488-F541 HydrophobicContact CB-CE2 4.16Å; L488-F541 HydrophobicContact CB-CZ 4.47Å
489	R	93	Very high	92	Very high	51 Å²	51	44.1 Å²	44.1	19%	0.192	22%	0.217	C	C	.	.	H	α-helix	trans	-58.7	-48.2	177.9	-73.7	-177.3	168	-166.3	-5.4	111.2	L413 N415 L485 N486 H491 V492 Q493 L507	L413-R489 VanDerWaalsContact O-CZ 3.26Å; L413-R489 PolarHBondContact O-NH2 2.85Å; N415-R489 PolarHBondContact OD1-NH2 2.83Å; N415-R489 VanDerWaalsContact OD1-NH2 3.12Å; L485-R489 WeakPolarHBondContact O-CB 3.24Å; L485-R489 VanDerWaalsContact O-CG 3.29Å; L485-R489 WeakPolarHBondContact O-CG 3.47Å; L485-R489 PolarHBondContact O-N 3.24Å; N486-R489 PolarHBondContact O-N 2.98Å; R489-H491 VanDerWaalsContact C-N 3.31Å; R489-H491 PolarHBondContact O-N 3.21Å; R489-V492 WeakPolarHBondContact O-CG2 3.25Å; R489-V492 PolarHBondContact O-N 3.17Å; R489-Q493 VanDerWaalsContact O-CB 3.31Å; R489-Q493 WeakPolarHBondContact O-CB 3.48Å; R489-Q493 WeakPolarHBondContact O-CG 3.35Å; R489-Q493 PolarHBondContact O-N 2.82Å; R489-Q493 PolarHBondContact O-OE1 3.22Å; R489-L507 HydrophobicContact CB-CD2 4.06Å; R489-L507 HydrophobicContact CG-CD2 3.71Å
490	R	92.4	Very high	92	Very high	109 Å²	109	50.5 Å²	50.5	41%	0.411	25%	0.247	S	C	.	.	H	α-helix	trans	-57.2	-44.5	176.7	-178.2	177.6	-177.5	86.4	-1.5	111.5	N486 V487 L488 Q494	N486-R490 WeakPolarHBondContact O-CB 3.23Å; N486-R490 PolarHBondContact O-N 2.96Å; V487-R490 PolarHBondContact O-N 3Å; L488-R490 PolarHBondContact O-N 2.99Å; R490-Q494 WeakPolarHBondContact O-CG 3.45Å; R490-Q494 PolarHBondContact O-N 3.32Å
491	H	94.2	Very high	91.9	Very high	5 Å²	5	55.8 Å²	55.8	2%	0.023	27%	0.271	C	S	.	.	H	α-helix	trans	-63.3	-48.2	-178.3	-172.5	63.9	0	0	0	112.3	Y304 V487 L488 R489 Q494 Q495 L535 T538 A539	Y304-H491 HydrophobicContact CE2-CB 3.74Å; Y304-H491 AromaticContact CE2-CG 3.79Å; Y304-H491 AromaticContact CE2-ND1 3.41Å; Y304-H491 WeakPolarHBondContact CE2-ND1 3.26Å; Y304-H491 AromaticContact CZ-ND1 3.63Å; Y304-H491 WeakPolarHBondContact OH-CA 3.19Å; Y304-H491 PolarHBondContact OH-ND1 2.88Å; V487-H491 WeakPolarHBondContact O-CB 3.49Å; V487-H491 PolarHBondContact O-N 3.26Å; L488-H491 PolarHBondContact O-N 2.81Å; R489-H491 VanDerWaalsContact C-N 3.31Å; R489-H491 PolarHBondContact O-N 3.21Å; H491-Q494 PolarHBondContact O-N 3.1Å; H491-Q495 PolarHBondContact CE1-NE2 3.22Å; H491-Q495 PolarHBondContact NE2-NE2 2.89Å; H491-Q495 WeakPolarHBondContact O-CG 3.39Å; H491-Q495 PolarHBondContact O-NE2 3.28Å; H491-L535 PolarHBondContact CD2-O 3.06Å; H491-L535 PolarHBondContact NE2-O 3.49Å; H491-T538 PolarHBondContact NE2-OG1 3.12Å; H491-A539 HydrophobicContact CB-CB 4.23Å; H491-A539 VanDerWaalsContact CD2-CB 3.41Å; H491-A539 WeakPolarHBondContact CD2-CB 3.46Å
492	V	93.1	Very high	92	Very high	1 Å²	1	54.2 Å²	54.2	1%	0.006	26%	0.261	C	S	.	.	H	α-helix	trans	-72	-32.7	-177.4	-59.8	0	0	0	0	112.3	L488 R489 Q494 Q495 V503 I506 L507 L536	L488-V492 WeakPolarHBondContact O-CG2 3.49Å; L488-V492 PolarHBondContact O-N 3.45Å; L488-V492 VanDerWaalsContact O-N 3.1Å; R489-V492 WeakPolarHBondContact O-CG2 3.25Å; R489-V492 PolarHBondContact O-N 3.17Å; V492-Q494 PolarHBondContact O-N 3.19Å; V492-Q495 WeakPolarHBondContact O-CB 3.32Å; V492-Q495 WeakPolarHBondContact O-CG 3.43Å; V492-Q495 PolarHBondContact O-N 2.68Å; V492-V503 HydrophobicContact CB-CG1 4.25Å; V492-V503 HydrophobicContact CB-CG2 4.3Å; V492-V503 HydrophobicContact CG2-CG1 4.22Å; V492-V503 VanDerWaalsContact O-CG2 3.23Å; V492-V503 WeakPolarHBondContact O-CG2 3.4Å; V492-I506 HydrophobicContact CG1-CD1 3.95Å; V492-I506 HydrophobicContact CG1-CG2 3.96Å; V492-I506 HydrophobicContact CG2-CG2 4.35Å; V492-L507 HydrophobicContact CG2-CD2 3.57Å; V492-L507 HydrophobicContact CG2-CG 3.86Å; V492-L536 HydrophobicContact CG1-CD2 3.99Å
493	Q	91.7	Very high	92.1	Very high	130 Å²	130	54.9 Å²	54.9	61%	0.607	27%	0.265	S	S	*	.	H	α-helix	trans	-70.3	-18.1	176.1	-72.5	173.8	-38	0	0	113.7	R489 L507	R489-Q493 VanDerWaalsContact O-CB 3.31Å; R489-Q493 WeakPolarHBondContact O-CB 3.48Å; R489-Q493 WeakPolarHBondContact O-CG 3.35Å; R489-Q493 PolarHBondContact O-N 2.82Å; R489-Q493 PolarHBondContact O-OE1 3.22Å; Q493-L507 HydrophobicContact CG-CD1 3.98Å; Q493-L507 HydrophobicContact CG-CD2 4.44Å
494	Q	90.9	Very high	92.1	Very high	109 Å²	109	58 Å²	58	51%	0.509	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.6	-1.5	177.7	-73.7	177	-27.7	0	0	113.4	Y304 R490 H491 V492	Y304-Q494 PolarHBondContact OH-OE1 3.34Å; R490-Q494 WeakPolarHBondContact O-CG 3.45Å; R490-Q494 PolarHBondContact O-N 3.32Å; H491-Q494 PolarHBondContact O-N 3.1Å; V492-Q494 PolarHBondContact O-N 3.19Å
495	Q	90.2	Very high	92.1	Very high	55 Å²	55	58.9 Å²	58.9	26%	0.257	28%	0.284	S	S	.	.	S	Bend	trans	-77.4	164	-177.1	-58.8	-58.6	-37.7	0	0	112.2	H491 V492 Y499 V503 L535	H491-Q495 PolarHBondContact CE1-NE2 3.22Å; H491-Q495 PolarHBondContact NE2-NE2 2.89Å; H491-Q495 WeakPolarHBondContact O-CG 3.39Å; H491-Q495 PolarHBondContact O-NE2 3.28Å; V492-Q495 WeakPolarHBondContact O-CB 3.32Å; V492-Q495 WeakPolarHBondContact O-CG 3.43Å; V492-Q495 PolarHBondContact O-N 2.68Å; Q495-Y499 HydrophobicContact CB-CD2 4.46Å; Q495-V503 HydrophobicContact CB-CG2 4.38Å; Q495-L535 HydrophobicContact CB-CD2 4.33Å; Q495-L535 HydrophobicContact CG-CD2 3.91Å
496	S	85.3	Confident	92.2	Very high	48 Å²	48	58.6 Å²	58.6	34%	0.336	28%	0.283	S	S	.	.			trans	-53.6	141.7	176.5	179.6	0	0	0	0	111.1	E498 Y499	S496-E498 PolarHBondContact O-N 3.44Å; S496-E498 PolarHBondContact OG-N 2.81Å; S496-Y499 PolarHBondContact O-N 3.49Å
497	P	89.1	Confident	92.3	Very high	117 Å²	117	59.3 Å²	59.3	76%	0.76	29%	0.286	S	S	*	.	G	3₁₀ helix	trans	-53	-21.6	171.9	-26.7	35.2	0	0	0	114.4	Y499 H500	P497-Y499 PolarHBondContact O-N 3.12Å; P497-H500 VanDerWaalsContact O-CB 3.26Å; P497-H500 WeakPolarHBondContact O-CB 3.34Å; P497-H500 PolarHBondContact O-N 3.18Å; P497-H500 VanDerWaalsContact O-N 3.11Å
498	E	90.6	Very high	92.3	Very high	170 Å²	170	63.4 Å²	63.4	79%	0.794	30%	0.304	S	S	*	.	G	3₁₀ helix	trans	-59.2	-26.9	174.3	-65.9	173.4	175.8	0	0	113.4	S496 H500	S496-E498 PolarHBondContact O-N 3.44Å; S496-E498 PolarHBondContact OG-N 2.81Å; E498-H500 VanDerWaalsContact C-N 3.34Å
499	Y	91.1	Very high	92.4	Very high	56 Å²	56	63.3 Å²	63.3	22%	0.22	30%	0.304	C	S	.	.	G	3₁₀ helix	trans	-92.7	15.8	177.9	-66.6	-71.9	0	0	0	113.3	Q495 S496 P497 E501 D502 V503 N531 L535	Q495-Y499 HydrophobicContact CB-CD2 4.46Å; S496-Y499 PolarHBondContact O-N 3.49Å; P497-Y499 PolarHBondContact O-N 3.12Å; Y499-E501 VanDerWaalsContact C-N 3.29Å; Y499-E501 PolarHBondContact O-N 3.31Å; Y499-D502 PolarHBondContact O-N 3.41Å; Y499-D502 VanDerWaalsContact O-N 3.08Å; Y499-V503 WeakPolarHBondContact O-CB 3.41Å; Y499-V503 VanDerWaalsContact O-CG2 3.29Å; Y499-V503 WeakPolarHBondContact O-CG2 3.42Å; Y499-V503 PolarHBondContact O-N 2.87Å; Y499-N531 HydrophobicContact CD1-CB 4.24Å; Y499-N531 HydrophobicContact CE1-CB 4.2Å; Y499-L535 HydrophobicContact CD1-CD1 3.75Å; Y499-L535 HydrophobicContact CD1-CD2 4.03Å; Y499-L535 HydrophobicContact CD1-CG 4.11Å; Y499-L535 HydrophobicContact CD2-CD2 3.77Å; Y499-L535 HydrophobicContact CE1-CD1 4.43Å; Y499-L535 HydrophobicContact CE1-CD2 4.11Å; Y499-L535 HydrophobicContact CE1-CG 4.32Å; Y499-L535 HydrophobicContact CE2-CD2 3.87Å; Y499-L535 HydrophobicContact CG-CD1 3.82Å; Y499-L535 HydrophobicContact CG-CD2 3.84Å; Y499-L535 HydrophobicContact CG-CG 4.28Å
500	H	91.8	Very high	92.4	Very high	133 Å²	133	61.1 Å²	61.1	62%	0.616	30%	0.296	S	S	*	.	H	α-helix	trans	-51	-44.2	-173	174.3	64.5	0	0	0	113.8	P497 E498 H504	P497-H500 VanDerWaalsContact O-CB 3.26Å; P497-H500 WeakPolarHBondContact O-CB 3.34Å; P497-H500 PolarHBondContact O-N 3.18Å; P497-H500 VanDerWaalsContact O-N 3.11Å; E498-H500 VanDerWaalsContact C-N 3.34Å; H500-H504 WeakPolarHBondContact O-CB 3.41Å; H500-H504 PolarHBondContact O-N 3.36Å
501	E	92.3	Very high	92.4	Very high	113 Å²	113	59 Å²	59	53%	0.528	29%	0.288	S	S	.	.	H	α-helix	trans	-65.4	-45.5	178.5	-64.6	-173.1	173.7	0	0	112.3	Y499 V503 H504 D505 R527	Y499-E501 VanDerWaalsContact C-N 3.29Å; Y499-E501 PolarHBondContact O-N 3.31Å; E501-V503 VanDerWaalsContact C-N 3.35Å; E501-V503 PolarHBondContact O-N 2.82Å; E501-H504 WeakPolarHBondContact O-CB 3.44Å; E501-H504 PolarHBondContact O-N 2.95Å; E501-D505 PolarHBondContact O-N 3.25Å; E501-R527 IonicContact OE2-CZ 3.28Å; E501-R527 IonicContact OE2-NE 2.95Å; E501-R527 IonicContact OE2-NH2 3.32Å; E501-R527 PolarHBondContact OE2-NH2 2.87Å
502	D	94.3	Very high	92.1	Very high	4 Å²	4	60 Å²	60	2%	0.021	29%	0.294	C	S	.	.	H	α-helix	trans	-66.8	-38.2	179.8	-57.4	-68.8	0	0	0	111.4	Y499 D505 I506 N531 T532 L535	Y499-D502 PolarHBondContact O-N 3.41Å; Y499-D502 VanDerWaalsContact O-N 3.08Å; D502-D505 PolarHBondContact O-N 3.36Å; D502-I506 WeakPolarHBondContact O-CB 3.39Å; D502-I506 VanDerWaalsContact O-CG1 3.25Å; D502-I506 WeakPolarHBondContact O-CG1 3.37Å; D502-I506 PolarHBondContact O-N 3.05Å; D502-N531 HydrophobicContact CB-CB 4.24Å; D502-N531 WeakPolarHBondContact OD1-CB 3.45Å; D502-N531 VanDerWaalsContact OD2-CB 3.31Å; D502-N531 WeakPolarHBondContact OD2-CB 3.16Å; D502-N531 PolarHBondContact OD2-ND2 3.46Å; D502-T532 HydrophobicContact CB-CG2 4.28Å; D502-L535 HydrophobicContact CB-CD1 3.97Å
503	V	94.6	Very high	92	Very high	18 Å²	18	62.9 Å²	62.9	11%	0.109	31%	0.31	C	S	.	.	H	α-helix	trans	-63.6	-44.7	174.2	172.6	0	0	0	0	110.2	V492 Q495 Y499 E501 I506 L507	V492-V503 HydrophobicContact CB-CG1 4.25Å; V492-V503 HydrophobicContact CB-CG2 4.3Å; V492-V503 HydrophobicContact CG2-CG1 4.22Å; V492-V503 VanDerWaalsContact O-CG2 3.23Å; V492-V503 WeakPolarHBondContact O-CG2 3.4Å; Q495-V503 HydrophobicContact CB-CG2 4.38Å; Y499-V503 WeakPolarHBondContact O-CB 3.41Å; Y499-V503 VanDerWaalsContact O-CG2 3.29Å; Y499-V503 WeakPolarHBondContact O-CG2 3.42Å; Y499-V503 PolarHBondContact O-N 2.87Å; E501-V503 VanDerWaalsContact C-N 3.35Å; E501-V503 PolarHBondContact O-N 2.82Å; V503-I506 PolarHBondContact O-N 3.28Å; V503-L507 HydrophobicContact CG1-CD1 3.75Å; V503-L507 HydrophobicContact CG1-CG 4.21Å; V503-L507 VanDerWaalsContact O-CB 3.31Å; V503-L507 WeakPolarHBondContact O-CB 3.34Å; V503-L507 WeakPolarHBondContact O-CG 3.42Å; V503-L507 PolarHBondContact O-N 2.9Å
504	H	93.8	Very high	92.1	Very high	66 Å²	66	58.5 Å²	58.5	31%	0.306	29%	0.291	S	S	.	.	H	α-helix	trans	-59.8	-47.2	175.2	-179.7	84	0	0	0	111.2	H500 E501 I506 L507 K508 E749	H500-H504 WeakPolarHBondContact O-CB 3.41Å; H500-H504 PolarHBondContact O-N 3.36Å; E501-H504 WeakPolarHBondContact O-CB 3.44Å; E501-H504 PolarHBondContact O-N 2.95Å; H504-I506 PolarHBondContact O-N 3.49Å; H504-L507 PolarHBondContact O-N 3.06Å; H504-K508 WeakPolarHBondContact O-CB 3.43Å; H504-K508 WeakPolarHBondContact O-CG 3.26Å; H504-K508 PolarHBondContact O-N 3.14Å; H504-E749 IonicContact CD2-OE2 3.9Å; H504-E749 IonicContact CE1-OE1 2.92Å; H504-E749 PolarHBondContact CE1-OE1 3.1Å; H504-E749 IonicContact CE1-OE2 2.75Å; H504-E749 IonicContact NE2-OE1 3.97Å; H504-E749 PolarHBondContact NE2-OE1 3.39Å; H504-E749 IonicContact NE2-OE2 3.27Å; H504-E749 PolarHBondContact NE2-OE2 2.85Å
505	D	93.8	Very high	92.4	Very high	18 Å²	18	53.3 Å²	53.3	10%	0.096	27%	0.266	C	S	.	.	H	α-helix	trans	-59.7	-48	177.1	-95.7	-14.6	0	0	0	111.6	E501 D502 L507 K508 N509 F515	E501-D505 PolarHBondContact O-N 3.25Å; D502-D505 PolarHBondContact O-N 3.36Å; D505-L507 PolarHBondContact O-N 3.16Å; D505-K508 PolarHBondContact O-N 2.77Å; D505-N509 WeakPolarHBondContact O-CA 3.4Å; D505-N509 WeakPolarHBondContact O-CB 3.36Å; D505-N509 PolarHBondContact O-N 3.38Å; D505-N509 PolarHBondContact O-ND2 3.33Å; D505-N509 PolarHBondContact OD1-ND2 2.79Å; D505-F515 HydrophobicContact CB-CE2 4.42Å; D505-F515 HydrophobicContact CB-CZ 4.38Å
506	I	95	Very high	92.7	Very high	1 Å²	1	50.7 Å²	50.7	1%	0.005	25%	0.254	C	S	.	.	H	α-helix	trans	-60.2	-49.4	177.2	-68.9	164.6	0	0	0	110.7	L488 V492 D502 V503 H504 K508 M510 F515 T532 L535 L536	L488-I506 HydrophobicContact CD2-CG2 3.75Å; V492-I506 HydrophobicContact CG1-CD1 3.95Å; V492-I506 HydrophobicContact CG1-CG2 3.96Å; V492-I506 HydrophobicContact CG2-CG2 4.35Å; D502-I506 WeakPolarHBondContact O-CB 3.39Å; D502-I506 VanDerWaalsContact O-CG1 3.25Å; D502-I506 WeakPolarHBondContact O-CG1 3.37Å; D502-I506 PolarHBondContact O-N 3.05Å; V503-I506 PolarHBondContact O-N 3.28Å; H504-I506 PolarHBondContact O-N 3.49Å; I506-K508 VanDerWaalsContact C-N 3.29Å; I506-K508 PolarHBondContact O-N 3.36Å; I506-M510 HydrophobicContact CG2-CG 4.1Å; I506-M510 HydrophobicContact CG2-SD 3.69Å; I506-M510 VanDerWaalsContact O-CB 3.31Å; I506-M510 WeakPolarHBondContact O-CB 3.31Å; I506-M510 VanDerWaalsContact O-CG 3.26Å; I506-M510 WeakPolarHBondContact O-CG 3.35Å; I506-M510 PolarHBondContact O-N 2.86Å; I506-F515 HydrophobicContact CG1-CE2 4.41Å; I506-T532 HydrophobicContact CD1-CG2 4.01Å; I506-T532 HydrophobicContact CG1-CG2 3.87Å; I506-L535 HydrophobicContact CD1-CD1 4.44Å; I506-L536 HydrophobicContact CD1-CD2 4.33Å; I506-L536 HydrophobicContact CD1-CG 4.16Å; I506-L536 HydrophobicContact CG2-CD2 4.37Å
507	L	94.1	Very high	93.2	Very high	37 Å²	37	48.4 Å²	48.4	19%	0.194	24%	0.238	C	C	.	.	H	α-helix	trans	-64.1	-32.6	-176.5	-72.5	177.8	0	0	0	112.9	N415 R489 V492 Q493 V503 H504 D505	N415-L507 PolarHBondContact ND2-O 3.42Å; N415-L507 PolarHBondContact OD1-O 2.73Å; R489-L507 HydrophobicContact CB-CD2 4.06Å; R489-L507 HydrophobicContact CG-CD2 3.71Å; V492-L507 HydrophobicContact CG2-CD2 3.57Å; V492-L507 HydrophobicContact CG2-CG 3.86Å; Q493-L507 HydrophobicContact CG-CD1 3.98Å; Q493-L507 HydrophobicContact CG-CD2 4.44Å; V503-L507 HydrophobicContact CG1-CD1 3.75Å; V503-L507 HydrophobicContact CG1-CG 4.21Å; V503-L507 VanDerWaalsContact O-CB 3.31Å; V503-L507 WeakPolarHBondContact O-CB 3.34Å; V503-L507 WeakPolarHBondContact O-CG 3.42Å; V503-L507 PolarHBondContact O-N 2.9Å; H504-L507 PolarHBondContact O-N 3.06Å; D505-L507 PolarHBondContact O-N 3.16Å
508	K	93.9	Very high	93.5	Very high	88 Å²	88	43 Å²	43	38%	0.383	20%	0.203	S	C	.	.	H	α-helix	trans	-95	-31.9	-178.2	-67.5	-70	-172.1	174	0	113.6	N415 I420 R423 H504 D505 I506	N415-K508 PolarHBondContact ND2-O 2.76Å; I420-K508 WeakPolarHBondContact CG1-O 3.27Å; R423-K508 PolarHBondContact NH2-O 2.87Å; H504-K508 WeakPolarHBondContact O-CB 3.43Å; H504-K508 WeakPolarHBondContact O-CG 3.26Å; H504-K508 PolarHBondContact O-N 3.14Å; D505-K508 PolarHBondContact O-N 2.77Å; I506-K508 VanDerWaalsContact C-N 3.29Å; I506-K508 PolarHBondContact O-N 3.36Å
509	N	95.4	Very high	93.8	Very high	1 Å²	1	35.2 Å²	35.2	1%	0.005	17%	0.167	C	C	.	.	H	α-helix	trans	-107.4	3.3	-167.2	-63.2	-35.5	0	0	0	114.5	R423 D505 F515 V516 T517	R423-N509 WeakPolarHBondContact CD-OD1 3.49Å; R423-N509 PolarHBondContact NE-OD1 2.83Å; D505-N509 WeakPolarHBondContact O-CA 3.4Å; D505-N509 WeakPolarHBondContact O-CB 3.36Å; D505-N509 PolarHBondContact O-N 3.38Å; D505-N509 PolarHBondContact O-ND2 3.33Å; D505-N509 PolarHBondContact OD1-ND2 2.79Å; N509-F515 HydrophobicContact CB-CD2 4.35Å; N509-F515 HydrophobicContact CB-CE2 4.04Å; N509-V516 WeakPolarHBondContact CB-O 3.42Å; N509-V516 PolarHBondContact O-N 2.94Å; N509-V516 VanDerWaalsContact O-N 3.11Å; N509-T517 PolarHBondContact ND2-OG1 3.15Å
510	M	93.6	Very high	93.9	Very high	4 Å²	4	34.2 Å²	34.2	2%	0.02	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	134.9	170.1	-75.8	-157.1	74.8	0	0	113	N415 I435 L488 I506 V512 D514 F515 L536	N415-M510 PolarHBondContact ND2-O 2.73Å; I435-M510 HydrophobicContact CD1-CE 3.21Å; I435-M510 HydrophobicContact CD1-SD 4.17Å; I435-M510 HydrophobicContact CG1-CE 3.84Å; L488-M510 HydrophobicContact CD1-CE 3.77Å; L488-M510 HydrophobicContact CD1-SD 3.46Å; L488-M510 WeakPolarHBondContact CD1-SD 2.98Å; L488-M510 HydrophobicContact CD2-SD 3.78Å; L488-M510 HydrophobicContact CG-SD 4.25Å; I506-M510 HydrophobicContact CG2-CG 4.1Å; I506-M510 HydrophobicContact CG2-SD 3.69Å; I506-M510 VanDerWaalsContact O-CB 3.31Å; I506-M510 WeakPolarHBondContact O-CB 3.31Å; I506-M510 VanDerWaalsContact O-CG 3.26Å; I506-M510 WeakPolarHBondContact O-CG 3.35Å; I506-M510 PolarHBondContact O-N 2.86Å; M510-V512 WeakPolarHBondContact CE-O 3.2Å; M510-D514 CarbonylContact C-O 3.49Å; M510-D514 WeakPolarHBondContact CA-O 3.2Å; M510-F515 HydrophobicContact CG-CB 4.24Å; M510-F515 HydrophobicContact CG-CD2 3.76Å; M510-F515 HydrophobicContact CG-CG 4.48Å; M510-L536 HydrophobicContact SD-CD1 4.39Å
511	Y	91.3	Very high	94	Very high	65 Å²	65	31.5 Å²	31.5	26%	0.255	16%	0.155	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	93.4	167.2	-169.9	-102.3	0	0	0	109.8	Q414 L417 I420 D513 D514 L572	Q414-Y511 HydrophobicContact CB-CE2 4.3Å; L417-Y511 HydrophobicContact CB-CE2 4.24Å; L417-Y511 HydrophobicContact CD1-CD1 4.05Å; L417-Y511 HydrophobicContact CD1-CD2 3.77Å; L417-Y511 HydrophobicContact CD1-CE1 4.11Å; L417-Y511 HydrophobicContact CD1-CE2 3.84Å; L417-Y511 HydrophobicContact CD1-CG 3.87Å; I420-Y511 HydrophobicContact CD1-CD2 4.12Å; I420-Y511 HydrophobicContact CD1-CG 4.33Å; Y511-D513 PolarHBondContact O-N 3.32Å; Y511-D514 PolarHBondContact N-O 3.08Å; Y511-D514 PolarHBondContact O-N 2.67Å; Y511-D514 VanDerWaalsContact O-N 3.1Å; Y511-L572 HydrophobicContact CD1-CD2 4.03Å; Y511-L572 HydrophobicContact CG-CD2 4.09Å
512	V	88.9	Confident	94.1	Very high	26 Å²	26	28.2 Å²	28.2	16%	0.158	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.8	-106.9	-172.7	-168.7	0	0	0	0	110.4	Q414 M438 F439 M510	Q414-V512 HydrophobicContact CG-CG2 3.85Å; M438-V512 HydrophobicContact SD-CG1 4Å; F439-V512 HydrophobicContact CE1-CG1 4.28Å; F439-V512 HydrophobicContact CZ-CG1 4.29Å; M510-V512 WeakPolarHBondContact CE-O 3.2Å
513	D	90.9	Very high	94.2	Very high	61 Å²	61	34 Å²	34	33%	0.326	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.6	-21.5	-179.9	47.7	-19.7	0	0	0	113.3	D434 I435 M438 Y511	D434-D513 CarbonylContact C-O 3.51Å; D434-D513 WeakPolarHBondContact CA-O 3.45Å; I435-D513 HydrophobicContact CB-CB 4.41Å; I435-D513 PolarHBondContact N-O 3.23Å; M438-D513 HydrophobicContact CB-CB 4.15Å; Y511-D513 PolarHBondContact O-N 3.32Å
514	D	93.5	Very high	94.2	Very high	39 Å²	39	34.9 Å²	34.9	21%	0.209	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	130	179.9	-69.8	-44.7	0	0	0	111.3	M510 Y511 V516 L572	M510-D514 CarbonylContact C-O 3.49Å; M510-D514 WeakPolarHBondContact CA-O 3.2Å; Y511-D514 PolarHBondContact N-O 3.08Å; Y511-D514 PolarHBondContact O-N 2.67Å; Y511-D514 VanDerWaalsContact O-N 3.1Å; D514-V516 HydrophobicContact CB-CG2 4.4Å; D514-L572 HydrophobicContact CB-CD2 3.93Å
515	F	96.4	Very high	94.3	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	125	167.3	175.3	-110	0	0	0	109.4	Q432 A433 D505 I506 N509 M510 T517 I528 T532 L543 W546	Q432-F515 CarbonylContact C-O 3.44Å; Q432-F515 VanDerWaalsContact CA-O 3.28Å; Q432-F515 WeakPolarHBondContact CA-O 3.2Å; A433-F515 PolarHBondContact N-O 2.95Å; A433-F515 PolarHBondContact O-N 2.92Å; D505-F515 HydrophobicContact CB-CE2 4.42Å; D505-F515 HydrophobicContact CB-CZ 4.38Å; I506-F515 HydrophobicContact CG1-CE2 4.41Å; N509-F515 HydrophobicContact CB-CD2 4.35Å; N509-F515 HydrophobicContact CB-CE2 4.04Å; M510-F515 HydrophobicContact CG-CB 4.24Å; M510-F515 HydrophobicContact CG-CD2 3.76Å; M510-F515 HydrophobicContact CG-CG 4.48Å; F515-T517 HydrophobicContact CE1-CG2 3.77Å; F515-T517 HydrophobicContact CZ-CG2 3.69Å; F515-I528 HydrophobicContact CE1-CG2 4.02Å; F515-I528 HydrophobicContact CZ-CG2 4.09Å; F515-T532 HydrophobicContact CE1-CG2 4.39Å; F515-T532 HydrophobicContact CZ-CG2 4.03Å; F515-L543 HydrophobicContact CB-CD2 4.45Å; F515-W546 AromaticContact CD1-CH2 3.99Å; F515-W546 HydrophobicContact CD1-CH2 3.99Å; F515-W546 HydrophobicContact CD1-CZ3 4.31Å; F515-W546 HydrophobicContact CE1-CH2 4.01Å; F515-W546 HydrophobicContact CE1-CZ3 4.37Å
516	V	96.2	Very high	94.4	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	109.4	-170.8	-179.6	0	0	0	0	111	I420 F424 L431 Q432 N509 D514 V571 L572	I420-V516 HydrophobicContact CG2-CB 4.09Å; F424-V516 HydrophobicContact CB-CG1 3.76Å; F424-V516 HydrophobicContact CD1-CG1 4.01Å; F424-V516 HydrophobicContact CD2-CB 4.48Å; F424-V516 HydrophobicContact CD2-CG1 3.16Å; F424-V516 HydrophobicContact CE1-CG1 4.42Å; F424-V516 HydrophobicContact CE2-CG1 3.63Å; F424-V516 HydrophobicContact CG-CG1 3.37Å; F424-V516 HydrophobicContact CZ-CG1 4.24Å; L431-V516 WeakPolarHBondContact O-CA 3.46Å; Q432-V516 HydrophobicContact CB-CG2 4.5Å; Q432-V516 HydrophobicContact CG-CG2 4.22Å; N509-V516 WeakPolarHBondContact CB-O 3.42Å; N509-V516 PolarHBondContact O-N 2.94Å; N509-V516 VanDerWaalsContact O-N 3.11Å; D514-V516 HydrophobicContact CB-CG2 4.4Å; V516-V571 HydrophobicContact CG1-CG1 3.56Å; V516-V571 HydrophobicContact CG2-CG1 4.1Å; V516-L572 HydrophobicContact CB-CD1 4.33Å; V516-L572 HydrophobicContact CG1-CD1 4.46Å; V516-L572 HydrophobicContact CG2-CD1 4.24Å; V516-L572 HydrophobicContact CG2-CD2 4.4Å; V516-L572 HydrophobicContact CG2-CG 4.13Å
517	T	96.7	Very high	94.4	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	174.6	-177.4	-167.1	0	0	0	0	112.9	F424 L431 N509 F515 I528	F424-T517 VanDerWaalsContact CD2-O 3.24Å; F424-T517 WeakPolarHBondContact CD2-O 3.46Å; L431-T517 HydrophobicContact CB-CG2 4.05Å; L431-T517 HydrophobicContact CD1-CG2 4.29Å; L431-T517 PolarHBondContact N-O 3.05Å; L431-T517 PolarHBondContact O-N 3.37Å; N509-T517 PolarHBondContact ND2-OG1 3.15Å; F515-T517 HydrophobicContact CE1-CG2 3.77Å; F515-T517 HydrophobicContact CZ-CG2 3.69Å; T517-I528 HydrophobicContact CG2-CG2 4.03Å
518	S	96.3	Very high	94.5	Very high	3 Å²	3	36.6 Å²	36.6	2%	0.021	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	153	170.4	65.4	0	0	0	0	111.8	R423 F424 R426 F427 I429	R423-S518 PolarHBondContact O-OG 3.27Å; F424-S518 WeakPolarHBondContact O-CB 3.35Å; F424-S518 PolarHBondContact O-OG 2.9Å; R426-S518 PolarHBondContact N-OG 3.33Å; F427-S518 WeakPolarHBondContact CD2-O 3.43Å; F427-S518 PolarHBondContact N-OG 2.92Å; F427-S518 VanDerWaalsContact N-OG 3.16Å; I429-S518 CarbonylContact O-C 3.5Å; I429-S518 WeakPolarHBondContact O-CA 3.35Å; I429-S518 WeakPolarHBondContact O-CB 3.23Å
519	C	95.1	Very high	94.6	Very high	6 Å²	6	32.7 Å²	32.7	4%	0.041	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	169.6	178.1	63.1	0	0	0	0	112.2	F427 I429 D524 A525 I528	F427-C519 WeakPolarHBondContact CB-O 3.45Å; I429-C519 PolarHBondContact N-O 2.64Å; I429-C519 VanDerWaalsContact N-O 3.09Å; I429-C519 PolarHBondContact O-N 3.15Å; C519-D524 HydrophobicContact CB-CB 3.84Å; C519-A525 VanDerWaalsContact SG-CB 3.51Å; C519-I528 HydrophobicContact CB-CD1 3.91Å
520	N	93.3	Very high	94.6	Very high	36 Å²	36	40 Å²	40	19%	0.193	19%	0.19	C	C	.	.	S	Bend	trans	-87.6	-37.1	-171.6	-72.9	-72	0	0	0	114	F427	F427-N520 WeakPolarHBondContact CD1-ND2 3.49Å; F427-N520 WeakPolarHBondContact CD1-OD1 3.43Å; F427-N520 WeakPolarHBondContact CE1-ND2 3.4Å
521	I	93.9	Very high	94.6	Very high	75 Å²	75	41.1 Å²	41.1	39%	0.385	20%	0.196	S	C	.	.	S	Bend	trans	-134.1	159.3	-171.1	64.9	177.1	0	0	0	110.9	I429 E523 D524 A525	I429-I521 VanDerWaalsContact CD1-C 3.4Å; I521-E523 VanDerWaalsContact C-N 3.27Å; I521-E523 WeakPolarHBondContact CB-OE2 3.36Å; I521-E523 HydrophobicContact CD1-CB 4.18Å; I521-E523 WeakPolarHBondContact CD1-OE2 3.08Å; I521-E523 HydrophobicContact CG1-CB 4.36Å; I521-E523 WeakPolarHBondContact CG1-OE2 3.47Å; I521-E523 PolarHBondContact O-N 3.2Å; I521-D524 HydrophobicContact CG1-CB 4.07Å; I521-D524 PolarHBondContact O-N 2.94Å; I521-A525 PolarHBondContact O-N 2.84Å
522	I	95.3	Very high	94.8	Very high	45 Å²	45	38 Å²	38	23%	0.231	18%	0.184	C	C	.	.	H	α-helix	trans	-65.5	-34.2	-173.9	-66.9	172.1	0	0	0	110.8	I429 D524 A525 H526 V550 E552	I429-I522 HydrophobicContact CD1-CB 4.48Å; I429-I522 HydrophobicContact CD1-CG1 3.78Å; I522-D524 PolarHBondContact O-N 2.84Å; I522-A525 CarbonylContact O-C 3.55Å; I522-A525 WeakPolarHBondContact O-CA 3.13Å; I522-A525 VanDerWaalsContact O-CB 3.26Å; I522-A525 WeakPolarHBondContact O-CB 3.31Å; I522-A525 PolarHBondContact O-N 2.82Å; I522-H526 VanDerWaalsContact CG2-CE1 3.44Å; I522-H526 WeakPolarHBondContact CG2-CE1 3.39Å; I522-H526 PolarHBondContact O-N 2.8Å; I522-V550 HydrophobicContact CD1-CG1 4.39Å; I522-V550 HydrophobicContact CG1-CG1 4.45Å; I522-E552 HydrophobicContact CD1-CB 4.17Å; I522-E552 VanDerWaalsContact CD1-OE2 3.26Å; I522-E552 WeakPolarHBondContact CD1-OE2 3.2Å
523	E	95.1	Very high	95.1	Very high	126 Å²	126	38.1 Å²	38.1	59%	0.589	19%	0.185	S	C	*	.	H	α-helix	trans	-62.7	-41.6	179.2	-61.4	76.2	-170.1	0	0	111.9	I521 A525 H526 R527	I521-E523 VanDerWaalsContact C-N 3.27Å; I521-E523 WeakPolarHBondContact CB-OE2 3.36Å; I521-E523 HydrophobicContact CD1-CB 4.18Å; I521-E523 WeakPolarHBondContact CD1-OE2 3.08Å; I521-E523 HydrophobicContact CG1-CB 4.36Å; I521-E523 WeakPolarHBondContact CG1-OE2 3.47Å; I521-E523 PolarHBondContact O-N 3.2Å; E523-A525 VanDerWaalsContact C-N 3.29Å; E523-H526 PolarHBondContact O-N 3.09Å; E523-R527 PolarHBondContact O-N 3.17Å
524	D	94.8	Very high	95.3	Very high	36 Å²	36	39.9 Å²	39.9	19%	0.193	19%	0.192	C	C	.	.	H	α-helix	trans	-63.6	-39.9	172.3	-72	-21.8	0	0	0	110.4	C519 I521 I522 R527 I528	C519-D524 HydrophobicContact CB-CB 3.84Å; I521-D524 HydrophobicContact CG1-CB 4.07Å; I521-D524 PolarHBondContact O-N 2.94Å; I522-D524 PolarHBondContact O-N 2.84Å; D524-R527 PolarHBondContact O-N 2.84Å; D524-R527 IonicContact OD1-CZ 3.24Å; D524-R527 IonicContact OD1-NH1 3.05Å; D524-R527 PolarHBondContact OD1-NH1 2.87Å; D524-R527 IonicContact OD1-NH2 3.13Å; D524-R527 PolarHBondContact OD1-NH2 3.03Å; D524-I528 WeakPolarHBondContact O-CB 3.19Å; D524-I528 WeakPolarHBondContact O-CD1 3.41Å; D524-I528 VanDerWaalsContact O-CG1 3.23Å; D524-I528 WeakPolarHBondContact O-CG1 3.42Å; D524-I528 PolarHBondContact O-N 3.41Å
525	A	96.3	Very high	95.3	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-63.4	-46.6	179.3	0	0	0	0	0	111.6	I429 L431 C519 I521 I522 E523 R527 I528 V529	I429-A525 HydrophobicContact CG2-CB 4.1Å; L431-A525 HydrophobicContact CD1-CB 4.16Å; C519-A525 VanDerWaalsContact SG-CB 3.51Å; I521-A525 PolarHBondContact O-N 2.84Å; I522-A525 CarbonylContact O-C 3.55Å; I522-A525 WeakPolarHBondContact O-CA 3.13Å; I522-A525 VanDerWaalsContact O-CB 3.26Å; I522-A525 WeakPolarHBondContact O-CB 3.31Å; I522-A525 PolarHBondContact O-N 2.82Å; E523-A525 VanDerWaalsContact C-N 3.29Å; A525-R527 VanDerWaalsContact C-N 3.34Å; A525-R527 PolarHBondContact O-N 2.92Å; A525-I528 PolarHBondContact O-N 3.44Å; A525-V529 WeakPolarHBondContact O-CB 3.26Å; A525-V529 VanDerWaalsContact O-CG2 3.23Å; A525-V529 WeakPolarHBondContact O-CG2 3.19Å; A525-V529 PolarHBondContact O-N 3.1Å
526	H	95.9	Very high	95.2	Very high	68 Å²	68	38.1 Å²	38.1	32%	0.315	18%	0.182	S	C	.	.	H	α-helix	trans	-60.6	-42.4	174.4	-69.1	157.4	0	0	0	111.9	I522 E523 K530 E552 S553	I522-H526 VanDerWaalsContact CG2-CE1 3.44Å; I522-H526 WeakPolarHBondContact CG2-CE1 3.39Å; I522-H526 PolarHBondContact O-N 2.8Å; E523-H526 PolarHBondContact O-N 3.09Å; H526-K530 WeakPolarHBondContact O-CB 3.27Å; H526-K530 PolarHBondContact O-N 3.29Å; H526-E552 PolarHBondContact NE2-O 3.21Å; H526-S553 PolarHBondContact CD2-O 3.48Å; H526-S553 VanDerWaalsContact CD2-O 3.3Å
527	R	95.4	Very high	95.1	Very high	84 Å²	84	42.4 Å²	42.4	32%	0.317	20%	0.202	S	C	.	.	H	α-helix	trans	-57.8	-54.9	174.9	-179.2	-179.5	71.3	-112.1	8	110.8	E501 E523 D524 A525 V529 K530 N531	E501-R527 IonicContact OE2-CZ 3.28Å; E501-R527 IonicContact OE2-NE 2.95Å; E501-R527 IonicContact OE2-NH2 3.32Å; E501-R527 PolarHBondContact OE2-NH2 2.87Å; E523-R527 PolarHBondContact O-N 3.17Å; D524-R527 PolarHBondContact O-N 2.84Å; D524-R527 IonicContact OD1-CZ 3.24Å; D524-R527 IonicContact OD1-NH1 3.05Å; D524-R527 PolarHBondContact OD1-NH1 2.87Å; D524-R527 IonicContact OD1-NH2 3.13Å; D524-R527 PolarHBondContact OD1-NH2 3.03Å; A525-R527 VanDerWaalsContact C-N 3.34Å; A525-R527 PolarHBondContact O-N 2.92Å; R527-V529 PolarHBondContact O-N 2.81Å; R527-K530 PolarHBondContact O-N 2.89Å; R527-N531 WeakPolarHBondContact CG-ND2 3.34Å; R527-N531 VanDerWaalsContact O-CB 3.28Å; R527-N531 WeakPolarHBondContact O-CB 3.39Å; R527-N531 PolarHBondContact O-N 3.34Å
528	I	96	Very high	95	Very high	5 Å²	5	44.7 Å²	44.7	3%	0.026	22%	0.216	C	C	.	.	H	α-helix	trans	-57.5	-51.7	-178.7	-69.6	164.2	0	0	0	109.9	L431 F515 T517 C519 D524 A525 K530 T532	L431-I528 HydrophobicContact CD1-CB 4.18Å; L431-I528 HydrophobicContact CD1-CG2 3.95Å; F515-I528 HydrophobicContact CE1-CG2 4.02Å; F515-I528 HydrophobicContact CZ-CG2 4.09Å; T517-I528 HydrophobicContact CG2-CG2 4.03Å; C519-I528 HydrophobicContact CB-CD1 3.91Å; D524-I528 WeakPolarHBondContact O-CB 3.19Å; D524-I528 WeakPolarHBondContact O-CD1 3.41Å; D524-I528 VanDerWaalsContact O-CG1 3.23Å; D524-I528 WeakPolarHBondContact O-CG1 3.42Å; D524-I528 PolarHBondContact O-N 3.41Å; A525-I528 PolarHBondContact O-N 3.44Å; I528-K530 VanDerWaalsContact C-N 3.34Å; I528-K530 PolarHBondContact O-N 2.77Å; I528-T532 HydrophobicContact CG2-CG2 4.06Å; I528-T532 VanDerWaalsContact O-CB 3.25Å; I528-T532 WeakPolarHBondContact O-CB 3.19Å; I528-T532 VanDerWaalsContact O-CG2 3.24Å; I528-T532 WeakPolarHBondContact O-CG2 3.22Å; I528-T532 PolarHBondContact O-N 3Å; I528-T532 PolarHBondContact O-OG1 3.2Å
529	V	96.1	Very high	94.8	Very high	7 Å²	7	44.6 Å²	44.6	4%	0.042	22%	0.216	C	C	.	.	H	α-helix	trans	-56.8	-48.6	-179.4	169.2	0	0	0	0	111.1	L431 A525 R527 S533 W546 L554 L557	L431-V529 HydrophobicContact CD1-CG2 4.09Å; L431-V529 HydrophobicContact CD2-CG2 4.11Å; A525-V529 WeakPolarHBondContact O-CB 3.26Å; A525-V529 VanDerWaalsContact O-CG2 3.23Å; A525-V529 WeakPolarHBondContact O-CG2 3.19Å; A525-V529 PolarHBondContact O-N 3.1Å; R527-V529 PolarHBondContact O-N 2.81Å; V529-S533 WeakPolarHBondContact O-CB 3.05Å; V529-S533 PolarHBondContact O-N 2.88Å; V529-S533 PolarHBondContact O-OG 2.96Å; V529-W546 HydrophobicContact CB-CH2 4.32Å; V529-W546 HydrophobicContact CB-CZ2 4.47Å; V529-W546 HydrophobicContact CB-CZ3 4.47Å; V529-W546 HydrophobicContact CG1-CD2 4.39Å; V529-W546 HydrophobicContact CG1-CZ2 4.26Å; V529-W546 HydrophobicContact CG2-CD2 4.44Å; V529-W546 HydrophobicContact CG2-CE3 3.9Å; V529-W546 HydrophobicContact CG2-CH2 3.99Å; V529-W546 HydrophobicContact CG2-CZ2 4.48Å; V529-W546 HydrophobicContact CG2-CZ3 3.67Å; V529-L554 HydrophobicContact CG2-CD2 4.13Å; V529-L557 HydrophobicContact CG1-CD1 3.71Å; V529-L557 HydrophobicContact CG1-CD2 3.73Å; V529-L557 HydrophobicContact CG1-CG 3.85Å
530	K	94.9	Very high	94.7	Very high	153 Å²	153	44.4 Å²	44.4	67%	0.665	22%	0.215	S	C	*	.	H	α-helix	trans	-66.4	-54.1	-178.2	-179.4	-175.1	175.9	-173.6	0	111.9	H526 R527 I528 H534	H526-K530 WeakPolarHBondContact O-CB 3.27Å; H526-K530 PolarHBondContact O-N 3.29Å; R527-K530 PolarHBondContact O-N 2.89Å; I528-K530 VanDerWaalsContact C-N 3.34Å; I528-K530 PolarHBondContact O-N 2.77Å; K530-H534 VanDerWaalsContact O-CB 3.29Å; K530-H534 WeakPolarHBondContact O-CB 3.35Å; K530-H534 PolarHBondContact O-N 3.04Å
531	N	95.2	Very high	94.8	Very high	29 Å²	29	42.8 Å²	42.8	16%	0.155	21%	0.206	C	C	.	.	H	α-helix	trans	-69.5	-47.4	-172.7	-71.7	1.4	0	0	0	110.9	Y499 D502 R527 S533 H534 L535	Y499-N531 HydrophobicContact CD1-CB 4.24Å; Y499-N531 HydrophobicContact CE1-CB 4.2Å; D502-N531 HydrophobicContact CB-CB 4.24Å; D502-N531 WeakPolarHBondContact OD1-CB 3.45Å; D502-N531 VanDerWaalsContact OD2-CB 3.31Å; D502-N531 WeakPolarHBondContact OD2-CB 3.16Å; D502-N531 PolarHBondContact OD2-ND2 3.46Å; R527-N531 WeakPolarHBondContact CG-ND2 3.34Å; R527-N531 VanDerWaalsContact O-CB 3.28Å; R527-N531 WeakPolarHBondContact O-CB 3.39Å; R527-N531 PolarHBondContact O-N 3.34Å; N531-S533 VanDerWaalsContact C-N 3.34Å; N531-S533 PolarHBondContact O-N 2.98Å; N531-H534 PolarHBondContact O-N 2.99Å; N531-L535 WeakPolarHBondContact O-CB 3.1Å; N531-L535 WeakPolarHBondContact O-CG 3.42Å; N531-L535 PolarHBondContact O-N 3.45Å
532	T	95.6	Very high	94.8	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-63.4	-40.1	178.7	62.8	0	0	0	0	112.1	D502 I506 F515 I528 L536	D502-T532 HydrophobicContact CB-CG2 4.28Å; I506-T532 HydrophobicContact CD1-CG2 4.01Å; I506-T532 HydrophobicContact CG1-CG2 3.87Å; F515-T532 HydrophobicContact CE1-CG2 4.39Å; F515-T532 HydrophobicContact CZ-CG2 4.03Å; I528-T532 HydrophobicContact CG2-CG2 4.06Å; I528-T532 VanDerWaalsContact O-CB 3.25Å; I528-T532 WeakPolarHBondContact O-CB 3.19Å; I528-T532 VanDerWaalsContact O-CG2 3.24Å; I528-T532 WeakPolarHBondContact O-CG2 3.22Å; I528-T532 PolarHBondContact O-N 3Å; I528-T532 PolarHBondContact O-OG1 3.2Å; T532-L536 WeakPolarHBondContact O-CB 3.22Å; T532-L536 WeakPolarHBondContact O-CG 3.28Å; T532-L536 PolarHBondContact O-N 2.96Å
533	S	94.7	Very high	94.8	Very high	27 Å²	27	41.8 Å²	41.8	19%	0.189	20%	0.195	C	C	.	.	H	α-helix	trans	-62.2	-45.6	173.8	-62.1	0	0	0	0	111.5	V529 N531 Q537 W546	V529-S533 WeakPolarHBondContact O-CB 3.05Å; V529-S533 PolarHBondContact O-N 2.88Å; V529-S533 PolarHBondContact O-OG 2.96Å; N531-S533 VanDerWaalsContact C-N 3.34Å; N531-S533 PolarHBondContact O-N 2.98Å; S533-Q537 WeakPolarHBondContact O-CB 3.27Å; S533-Q537 PolarHBondContact O-N 2.89Å; S533-W546 WeakPolarHBondContact OG-CZ2 3.49Å; S533-W546 PolarHBondContact OG-NE1 3.24Å
534	H	93.8	Very high	94.8	Very high	99 Å²	99	36.5 Å²	36.5	46%	0.458	17%	0.171	S	C	.	.	H	α-helix	trans	-62.3	-52.6	179.1	178.7	60.5	0	0	0	112.1	K530 N531 L536 Q537 T538	K530-H534 VanDerWaalsContact O-CB 3.29Å; K530-H534 WeakPolarHBondContact O-CB 3.35Å; K530-H534 PolarHBondContact O-N 3.04Å; N531-H534 PolarHBondContact O-N 2.99Å; H534-L536 VanDerWaalsContact C-N 3.32Å; H534-L536 PolarHBondContact O-N 3.4Å; H534-Q537 PolarHBondContact O-N 3.38Å; H534-T538 PolarHBondContact O-N 2.9Å; H534-T538 VanDerWaalsContact O-N 3.07Å
535	L	94	Very high	94.6	Very high	1 Å²	1	39.7 Å²	39.7	1%	0.005	18%	0.183	C	C	.	.	H	α-helix	trans	-61.6	-36.6	-178.1	-69.2	177.1	0	0	0	113	H491 Q495 Y499 D502 I506 N531 T538	H491-L535 PolarHBondContact CD2-O 3.06Å; H491-L535 PolarHBondContact NE2-O 3.49Å; Q495-L535 HydrophobicContact CB-CD2 4.33Å; Q495-L535 HydrophobicContact CG-CD2 3.91Å; Y499-L535 HydrophobicContact CD1-CD1 3.75Å; Y499-L535 HydrophobicContact CD1-CD2 4.03Å; Y499-L535 HydrophobicContact CD1-CG 4.11Å; Y499-L535 HydrophobicContact CD2-CD2 3.77Å; Y499-L535 HydrophobicContact CE1-CD1 4.43Å; Y499-L535 HydrophobicContact CE1-CD2 4.11Å; Y499-L535 HydrophobicContact CE1-CG 4.32Å; Y499-L535 HydrophobicContact CE2-CD2 3.87Å; Y499-L535 HydrophobicContact CG-CD1 3.82Å; Y499-L535 HydrophobicContact CG-CD2 3.84Å; Y499-L535 HydrophobicContact CG-CG 4.28Å; D502-L535 HydrophobicContact CB-CD1 3.97Å; I506-L535 HydrophobicContact CD1-CD1 4.44Å; N531-L535 WeakPolarHBondContact O-CB 3.1Å; N531-L535 WeakPolarHBondContact O-CG 3.42Å; N531-L535 PolarHBondContact O-N 3.45Å; L535-T538 PolarHBondContact O-OG1 3.19Å
536	L	95.2	Very high	94.6	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-78.4	-35.5	176.9	-69.8	-178.3	0	0	0	111.2	I435 L488 V492 I506 M510 T532 H534 T538 A539 G540 F541 L543	I435-L536 HydrophobicContact CD1-CD1 4.25Å; L488-L536 HydrophobicContact CD1-CD2 4.02Å; L488-L536 HydrophobicContact CG-CD2 4.04Å; V492-L536 HydrophobicContact CG1-CD2 3.99Å; I506-L536 HydrophobicContact CD1-CD2 4.33Å; I506-L536 HydrophobicContact CD1-CG 4.16Å; I506-L536 HydrophobicContact CG2-CD2 4.37Å; M510-L536 HydrophobicContact SD-CD1 4.39Å; T532-L536 WeakPolarHBondContact O-CB 3.22Å; T532-L536 WeakPolarHBondContact O-CG 3.28Å; T532-L536 PolarHBondContact O-N 2.96Å; H534-L536 VanDerWaalsContact C-N 3.32Å; H534-L536 PolarHBondContact O-N 3.4Å; L536-T538 VanDerWaalsContact C-N 3.26Å; L536-T538 PolarHBondContact O-N 2.94Å; L536-A539 PolarHBondContact O-N 2.84Å; L536-A539 VanDerWaalsContact O-N 3.08Å; L536-G540 PolarHBondContact O-N 2.86Å; L536-F541 CarbonylContact C-O 3.57Å; L536-F541 VanDerWaalsContact C-O 3.23Å; L536-F541 HydrophobicContact CB-CB 3.93Å; L536-F541 VanDerWaalsContact CB-O 3.27Å; L536-F541 WeakPolarHBondContact CB-O 3.19Å; L536-F541 WeakPolarHBondContact O-CA 3.47Å; L536-F541 WeakPolarHBondContact O-CB 3.32Å; L536-F541 PolarHBondContact O-N 2.73Å; L536-L543 HydrophobicContact CD1-CD1 3.85Å; L536-L543 HydrophobicContact CD1-CD2 4.02Å; L536-L543 HydrophobicContact CD1-CG 3.88Å
537	Q	94	Very high	94.5	Very high	91 Å²	91	36.5 Å²	36.5	43%	0.425	17%	0.168	S	C	.	.	H	α-helix	trans	-63.9	-29.5	177.7	-175.1	60.1	59.7	0	0	112.7	S533 H534 A539 G540 F541	S533-Q537 WeakPolarHBondContact O-CB 3.27Å; S533-Q537 PolarHBondContact O-N 2.89Å; H534-Q537 PolarHBondContact O-N 3.38Å; Q537-A539 PolarHBondContact O-N 3.32Å; Q537-G540 PolarHBondContact O-N 3.06Å; Q537-F541 PolarHBondContact N-O 2.87Å
538	T	93.9	Very high	94.5	Very high	48 Å²	48	32.7 Å²	32.7	29%	0.294	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-15.9	174.3	46.9	0	0	0	0	113.9	F299 H491 H534 L535 L536	F299-T538 WeakPolarHBondContact CZ-O 3.37Å; H491-T538 PolarHBondContact NE2-OG1 3.12Å; H534-T538 PolarHBondContact O-N 2.9Å; H534-T538 VanDerWaalsContact O-N 3.07Å; L535-T538 PolarHBondContact O-OG1 3.19Å; L536-T538 VanDerWaalsContact C-N 3.26Å; L536-T538 PolarHBondContact O-N 2.94Å
539	A	93	Very high	94.4	Very high	1 Å²	1	34.4 Å²	34.4	1%	0.008	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.7	11.5	169.4	0	0	0	0	0	113.4	E302 Y304 H491 L536 Q537 F541	E302-A539 CarbonylContact O-C 3.38Å; E302-A539 WeakPolarHBondContact O-CA 3.38Å; Y304-A539 HydrophobicContact CD2-CB 4.08Å; Y304-A539 HydrophobicContact CE2-CB 3.85Å; H491-A539 HydrophobicContact CB-CB 4.23Å; H491-A539 VanDerWaalsContact CD2-CB 3.41Å; H491-A539 WeakPolarHBondContact CD2-CB 3.46Å; L536-A539 PolarHBondContact O-N 2.84Å; L536-A539 VanDerWaalsContact O-N 3.08Å; Q537-A539 PolarHBondContact O-N 3.32Å; A539-F541 VanDerWaalsContact C-N 3.29Å; A539-F541 HydrophobicContact CB-CD2 3.77Å; A539-F541 HydrophobicContact CB-CE2 4.03Å; A539-F541 PolarHBondContact O-N 3.47Å
540	G	93.2	Very high	94.3	Very high	2 Å²	2	35.9 Å²	35.9	2%	0.021	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	77.8	8.4	-177.8	0	0	0	0	0	114.6	E302 R303 Q441 L536 Q537 R542	E302-G540 PolarHBondContact O-N 3.21Å; R303-G540 PolarHBondContact NH1-O 3.11Å; Q441-G540 WeakPolarHBondContact CG-O 3.41Å; Q441-G540 PolarHBondContact OE1-O 3.31Å; Q441-G540 VanDerWaalsContact OE1-O 3.09Å; L536-G540 PolarHBondContact O-N 2.86Å; Q537-G540 PolarHBondContact O-N 3.06Å; G540-R542 PolarHBondContact O-N 2.92Å
541	F	94.9	Very high	94.2	Very high	1 Å²	1	34 Å²	34	0%	0.004	17%	0.167	C	C	.	.			trans	-87.1	86.5	174.3	-63.6	-62.4	0	0	0	110.7	I435 M438 Q441 V442 V487 L488 L536 Q537 A539 L543	I435-F541 HydrophobicContact CD1-CB 4.17Å; I435-F541 HydrophobicContact CD1-CD1 4.42Å; I435-F541 HydrophobicContact CD1-CG 4.38Å; I435-F541 HydrophobicContact CG2-CB 3.99Å; I435-F541 HydrophobicContact CG2-CD1 3.81Å; I435-F541 HydrophobicContact CG2-CG 4.33Å; M438-F541 HydrophobicContact CG-CD1 4.34Å; M438-F541 HydrophobicContact CG-CE1 4.08Å; Q441-F541 HydrophobicContact CB-CD1 3.73Å; Q441-F541 HydrophobicContact CB-CE1 3.78Å; Q441-F541 HydrophobicContact CG-CD1 3.98Å; Q441-F541 HydrophobicContact CG-CE1 4.43Å; V442-F541 HydrophobicContact CG2-CE1 4.01Å; V442-F541 HydrophobicContact CG2-CZ 3.77Å; V487-F541 HydrophobicContact CG1-CE2 3.89Å; V487-F541 HydrophobicContact CG1-CZ 3.85Å; L488-F541 HydrophobicContact CB-CE2 4.16Å; L488-F541 HydrophobicContact CB-CZ 4.47Å; L536-F541 CarbonylContact C-O 3.57Å; L536-F541 VanDerWaalsContact C-O 3.23Å; L536-F541 HydrophobicContact CB-CB 3.93Å; L536-F541 VanDerWaalsContact CB-O 3.27Å; L536-F541 WeakPolarHBondContact CB-O 3.19Å; L536-F541 WeakPolarHBondContact O-CA 3.47Å; L536-F541 WeakPolarHBondContact O-CB 3.32Å; L536-F541 PolarHBondContact O-N 2.73Å; Q537-F541 PolarHBondContact N-O 2.87Å; A539-F541 VanDerWaalsContact C-N 3.29Å; A539-F541 HydrophobicContact CB-CD2 3.77Å; A539-F541 HydrophobicContact CB-CE2 4.03Å; A539-F541 PolarHBondContact O-N 3.47Å; F541-L543 PolarHBondContact O-N 3.35Å
542	R	94.5	Very high	94.1	Very high	93 Å²	93	37.8 Å²	37.8	35%	0.351	18%	0.184	S	C	.	.			trans	-73	117	176.1	-173.4	176.3	171.2	177.1	0.4	111.3	S436 G540 T544 E560 D561	S436-R542 PolarHBondContact N-O 3.01Å; G540-R542 PolarHBondContact O-N 2.92Å; R542-T544 HydrophobicContact CG-CG2 3.99Å; R542-E560 IonicContact CZ-OE1 2.69Å; R542-E560 IonicContact NH1-OE1 3.57Å; R542-E560 IonicContact NH2-OE1 2.74Å; R542-E560 PolarHBondContact NH2-OE1 3.44Å; R542-D561 IonicContact CZ-OD1 3.5Å; R542-D561 IonicContact NE-OD1 2.95Å; R542-D561 PolarHBondContact NE-OD1 2.84Å; R542-D561 VanDerWaalsContact NH2-CG 3.32Å; R542-D561 IonicContact NH2-OD1 3Å; R542-D561 PolarHBondContact NH2-OD1 2.86Å; R542-D561 IonicContact NH2-OD2 2.78Å; R542-D561 PolarHBondContact NH2-OD2 3.25Å; R542-D561 VanDerWaalsContact NH2-OD2 3.14Å
543	L	95.3	Very high	94	Very high	6 Å²	6	37.8 Å²	37.8	3%	0.031	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	135.9	166.9	-72.1	179.2	0	0	0	110.6	A433 I435 F515 L536 F541 W546	A433-L543 HydrophobicContact CB-CB 4.34Å; A433-L543 HydrophobicContact CB-CD1 4.43Å; A433-L543 HydrophobicContact CB-CD2 4.07Å; I435-L543 HydrophobicContact CG1-CD2 3.57Å; F515-L543 HydrophobicContact CB-CD2 4.45Å; L536-L543 HydrophobicContact CD1-CD1 3.85Å; L536-L543 HydrophobicContact CD1-CD2 4.02Å; L536-L543 HydrophobicContact CD1-CG 3.88Å; F541-L543 PolarHBondContact O-N 3.35Å; L543-W546 HydrophobicContact CB-CZ2 4.24Å; L543-W546 HydrophobicContact CD1-CH2 4.16Å; L543-W546 HydrophobicContact CD1-CZ2 3.51Å
544	T	93.7	Very high	93.9	Very high	16 Å²	16	36.8 Å²	36.8	10%	0.098	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	175.4	-178.6	62.4	0	0	0	0	109.9	D434 R542 W546 D561	D434-T544 PolarHBondContact N-O 2.84Å; D434-T544 PolarHBondContact O-N 3.16Å; D434-T544 PolarHBondContact O-OG1 3.3Å; R542-T544 HydrophobicContact CG-CG2 3.99Å; T544-W546 PolarHBondContact O-N 3.33Å; T544-D561 CarbonylContact C-O 3.56Å
545	K	91.9	Very high	93.7	Very high	102 Å²	102	38.4 Å²	38.4	44%	0.443	18%	0.184	S	C	.	.	E	Extended strand (participates in β ladder)	trans	54.6	36.3	178.8	-51.3	177.6	-167.2	138	0	113.5	D434 S547 D561 Q563	D434-K545 HydrophobicContact CB-CB 4.43Å; D434-K545 HydrophobicContact CB-CD 4.19Å; D434-K545 IonicContact OD2-NZ 3.57Å; D434-K545 PolarHBondContact OD2-NZ 2.9Å; K545-S547 PolarHBondContact O-N 2.9Å; K545-D561 CarbonylContact C-O 3.6Å; K545-D561 WeakPolarHBondContact CA-O 3.25Å; K545-D561 PolarHBondContact N-O 2.83Å; K545-Q563 HydrophobicContact CB-CB 4.47Å
546	W	95.1	Very high	93.3	Very high	1 Å²	1	42.6 Å²	42.6	0%	0.004	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-52.5	130.5	171.2	-78.9	102.3	0	0	0	110.3	L431 Q432 A433 F515 V529 S533 L543 T544 L554 L557 D561 V562 Q563	L431-W546 HydrophobicContact CB-CZ3 4.21Å; Q432-W546 CarbonylContact O-C 3.59Å; Q432-W546 VanDerWaalsContact O-CA 3.22Å; Q432-W546 WeakPolarHBondContact O-CA 3.24Å; A433-W546 HydrophobicContact CB-CD2 3.58Å; A433-W546 HydrophobicContact CB-CE3 3.73Å; A433-W546 HydrophobicContact CB-CG 4.15Å; A433-W546 HydrophobicContact CB-CH2 4.01Å; A433-W546 HydrophobicContact CB-CZ2 3.89Å; A433-W546 HydrophobicContact CB-CZ3 3.92Å; F515-W546 AromaticContact CD1-CH2 3.99Å; F515-W546 HydrophobicContact CD1-CH2 3.99Å; F515-W546 HydrophobicContact CD1-CZ3 4.31Å; F515-W546 HydrophobicContact CE1-CH2 4.01Å; F515-W546 HydrophobicContact CE1-CZ3 4.37Å; V529-W546 HydrophobicContact CB-CH2 4.32Å; V529-W546 HydrophobicContact CB-CZ2 4.47Å; V529-W546 HydrophobicContact CB-CZ3 4.47Å; V529-W546 HydrophobicContact CG1-CD2 4.39Å; V529-W546 HydrophobicContact CG1-CZ2 4.26Å; V529-W546 HydrophobicContact CG2-CD2 4.44Å; V529-W546 HydrophobicContact CG2-CE3 3.9Å; V529-W546 HydrophobicContact CG2-CH2 3.99Å; V529-W546 HydrophobicContact CG2-CZ2 4.48Å; V529-W546 HydrophobicContact CG2-CZ3 3.67Å; S533-W546 WeakPolarHBondContact OG-CZ2 3.49Å; S533-W546 PolarHBondContact OG-NE1 3.24Å; L543-W546 HydrophobicContact CB-CZ2 4.24Å; L543-W546 HydrophobicContact CD1-CH2 4.16Å; L543-W546 HydrophobicContact CD1-CZ2 3.51Å; T544-W546 PolarHBondContact O-N 3.33Å; W546-L554 HydrophobicContact CB-CD1 4.37Å; W546-L554 HydrophobicContact CB-CD2 4.17Å; W546-L554 HydrophobicContact CE3-CD2 4.33Å; W546-L557 HydrophobicContact CB-CD1 3.57Å; W546-L557 HydrophobicContact CD2-CD1 4.16Å; W546-L557 HydrophobicContact CG-CD1 3.47Å; W546-L557 VanDerWaalsContact CG-CD1 3.47Å; W546-D561 PolarHBondContact N-O 2.97Å; W546-V562 WeakPolarHBondContact O-CA 3.34Å; W546-Q563 PolarHBondContact O-N 2.87Å
547	S	94.3	Very high	93.1	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	148.2	176.1	56.7	0	0	0	0	110.7	Q432 K545	Q432-S547 PolarHBondContact N-O 2.88Å; Q432-S547 PolarHBondContact O-N 3.12Å; K545-S547 PolarHBondContact O-N 2.9Å
548	S	95.3	Very high	92.8	Very high	5 Å²	5	42.7 Å²	42.7	4%	0.035	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	159.7	179.2	-173	0	0	0	0	110.3	A430 V550 S553	A430-S548 VanDerWaalsContact O-CA 3.22Å; A430-S548 WeakPolarHBondContact O-CA 3.15Å; A430-S548 VanDerWaalsContact O-CB 3.24Å; A430-S548 WeakPolarHBondContact O-CB 3.44Å; A430-S548 PolarHBondContact O-OG 3.29Å; S548-V550 VanDerWaalsContact C-N 3.3Å; S548-V550 PolarHBondContact OG-N 2.78Å; S548-V550 PolarHBondContact OG-O 2.93Å; S548-S553 VanDerWaalsContact CB-OG 3.26Å; S548-S553 WeakPolarHBondContact CB-OG 3.46Å; S548-S553 PolarHBondContact OG-OG 3.37Å; S548-S553 VanDerWaalsContact OG-OG 3.04Å
549	N	94.8	Very high	92.4	Very high	40 Å²	40	51.5 Å²	51.5	21%	0.214	27%	0.265	C	S	.	.	S	Bend	trans	-78.1	-14.5	162.8	61.6	-40.1	0	0	0	112.9	P428 A430 W576 R578 D581	P428-N549 PolarHBondContact O-ND2 3.34Å; A430-N549 PolarHBondContact N-OD1 3.11Å; N549-W576 HydrophobicContact CB-CH2 4.49Å; N549-W576 HydrophobicContact CB-CZ2 3.81Å; N549-R578 WeakPolarHBondContact CA-O 3.31Å; N549-R578 WeakPolarHBondContact CB-O 3.46Å; N549-D581 HydrophobicContact CB-CB 4.38Å; N549-D581 PolarHBondContact ND2-OD2 3.07Å
550	V	94.1	Very high	92.1	Very high	39 Å²	39	58.5 Å²	58.5	24%	0.236	30%	0.297	C	S	.	.	S	Bend	trans	-120.2	101.2	177.1	-179.7	0	0	0	0	108.6	I429 I522 S548 E552 S553	I429-V550 HydrophobicContact CG1-CG2 4.05Å; I429-V550 HydrophobicContact CG2-CB 4.33Å; I522-V550 HydrophobicContact CD1-CG1 4.39Å; I522-V550 HydrophobicContact CG1-CG1 4.45Å; S548-V550 VanDerWaalsContact C-N 3.3Å; S548-V550 PolarHBondContact OG-N 2.78Å; S548-V550 PolarHBondContact OG-O 2.93Å; V550-E552 HydrophobicContact CG1-CB 4.19Å; V550-E552 PolarHBondContact O-N 3.15Å; V550-S553 VanDerWaalsContact O-CB 3.28Å; V550-S553 WeakPolarHBondContact O-CB 3.26Å; V550-S553 PolarHBondContact O-N 2.93Å; V550-S553 PolarHBondContact O-OG 3.34Å
551	Q	90.9	Very high	91.9	Very high	112 Å²	112	59.5 Å²	59.5	52%	0.523	30%	0.302	S	S	.	.	G	3₁₀ helix	trans	-61.6	-31.4	-172.8	-171.8	59.8	26.2	0	0	113.3	S553 L554	Q551-S553 PolarHBondContact O-N 2.94Å; Q551-S553 VanDerWaalsContact O-N 3.17Å; Q551-L554 PolarHBondContact O-N 2.75Å
552	E	93.1	Very high	91.6	Very high	110 Å²	110	60.3 Å²	60.3	51%	0.514	31%	0.307	S	S	.	.	G	3₁₀ helix	trans	-56.5	-29	175.7	-62.2	173.5	171.7	0	0	111.9	I522 H526 V550 L554 E555	I522-E552 HydrophobicContact CD1-CB 4.17Å; I522-E552 VanDerWaalsContact CD1-OE2 3.26Å; I522-E552 WeakPolarHBondContact CD1-OE2 3.2Å; H526-E552 PolarHBondContact NE2-O 3.21Å; V550-E552 HydrophobicContact CG1-CB 4.19Å; V550-E552 PolarHBondContact O-N 3.15Å; E552-L554 PolarHBondContact O-N 3.49Å; E552-E555 WeakPolarHBondContact O-CB 3.42Å; E552-E555 WeakPolarHBondContact O-CG 3.41Å; E552-E555 PolarHBondContact O-N 3.29Å
553	S	93.4	Very high	91.1	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	30%	0.302	C	S	.	.	G	3₁₀ helix	trans	-67.3	-14.6	177	71.5	0	0	0	0	114.7	H526 S548 V550 Q551	H526-S553 PolarHBondContact CD2-O 3.48Å; H526-S553 VanDerWaalsContact CD2-O 3.3Å; S548-S553 VanDerWaalsContact CB-OG 3.26Å; S548-S553 WeakPolarHBondContact CB-OG 3.46Å; S548-S553 PolarHBondContact OG-OG 3.37Å; S548-S553 VanDerWaalsContact OG-OG 3.04Å; V550-S553 VanDerWaalsContact O-CB 3.28Å; V550-S553 WeakPolarHBondContact O-CB 3.26Å; V550-S553 PolarHBondContact O-N 2.93Å; V550-S553 PolarHBondContact O-OG 3.34Å; Q551-S553 PolarHBondContact O-N 2.94Å; Q551-S553 VanDerWaalsContact O-N 3.17Å
554	L	93.5	Very high	90	Very high	6 Å²	6	62.5 Å²	62.5	3%	0.031	33%	0.331	C	S	.	.	G	3₁₀ helix	trans	-107.6	8.8	-178	-56.4	-174.9	0	0	0	112.6	L431 V529 W546 Q551 E552 L557 V562	L431-L554 HydrophobicContact CD2-CD2 3.94Å; V529-L554 HydrophobicContact CG2-CD2 4.13Å; W546-L554 HydrophobicContact CB-CD1 4.37Å; W546-L554 HydrophobicContact CB-CD2 4.17Å; W546-L554 HydrophobicContact CE3-CD2 4.33Å; Q551-L554 PolarHBondContact O-N 2.75Å; E552-L554 PolarHBondContact O-N 3.49Å; L554-L557 HydrophobicContact CB-CD1 4.26Å; L554-L557 HydrophobicContact CD2-CD1 4.21Å; L554-L557 PolarHBondContact O-N 3.15Å; L554-V562 HydrophobicContact CD1-CG1 4.04Å
555	E	90	Very high	88.7	Confident	133 Å²	133	70.2 Å²	70.2	62%	0.621	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	140.4	175.8	-73.3	179	-177.5	0	0	111.6	E552 L557	E552-E555 WeakPolarHBondContact O-CB 3.42Å; E552-E555 WeakPolarHBondContact O-CG 3.41Å; E552-E555 PolarHBondContact O-N 3.29Å; E555-L557 VanDerWaalsContact C-N 3.35Å
556	G	86.3	Confident	88	Confident	88 Å²	88	70.4 Å²	70.4	91%	0.907	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	88.8	-12.5	-177.7	0	0	0	0	0	115.3
557	L	89.7	Confident	87.4	Confident	45 Å²	45	74.9 Å²	74.9	24%	0.236	39%	0.392	C	S	.	.	S	Bend	trans	-74.3	148.2	171.2	-69.8	177.9	0	0	0	112	V529 W546 L554 E555 V562	V529-L557 HydrophobicContact CG1-CD1 3.71Å; V529-L557 HydrophobicContact CG1-CD2 3.73Å; V529-L557 HydrophobicContact CG1-CG 3.85Å; W546-L557 HydrophobicContact CB-CD1 3.57Å; W546-L557 HydrophobicContact CD2-CD1 4.16Å; W546-L557 HydrophobicContact CG-CD1 3.47Å; W546-L557 VanDerWaalsContact CG-CD1 3.47Å; L554-L557 HydrophobicContact CB-CD1 4.26Å; L554-L557 HydrophobicContact CD2-CD1 4.21Å; L554-L557 PolarHBondContact O-N 3.15Å; E555-L557 VanDerWaalsContact C-N 3.35Å; L557-V562 HydrophobicContact CB-CG2 3.73Å; L557-V562 HydrophobicContact CD1-CG2 4.04Å
558	A	88	Confident	87	Confident	49 Å²	49	77.9 Å²	77.9	41%	0.405	41%	0.41	S	S	.	.			trans	-65	141.5	170.6	0	0	0	0	0	110.1	E560 D561	A558-E560 HydrophobicContact CB-CG 3.96Å; A558-E560 PolarHBondContact O-N 3.24Å; A558-D561 PolarHBondContact O-N 2.95Å
559	R	85.7	Confident	86.6	Confident	232 Å²	232	77.8 Å²	77.8	88%	0.875	41%	0.41	S	S	*	.	G	3₁₀ helix	trans	-55.4	-30.2	-179.4	-74.4	-174	175.6	179.6	-1	113.5	D561 V562	R559-D561 VanDerWaalsContact C-N 3.29Å; R559-D561 PolarHBondContact O-N 3.25Å; R559-V562 PolarHBondContact O-N 3.16Å
560	E	86.5	Confident	86.4	Confident	148 Å²	148	82.1 Å²	82.1	69%	0.692	43%	0.427	S	S	*	.	G	3₁₀ helix	trans	-71.1	-22.4	177.7	58.4	179.1	-140.6	0	0	113.9	R542 A558	R542-E560 IonicContact CZ-OE1 2.69Å; R542-E560 IonicContact NH1-OE1 3.57Å; R542-E560 IonicContact NH2-OE1 2.74Å; R542-E560 PolarHBondContact NH2-OE1 3.44Å; A558-E560 HydrophobicContact CB-CG 3.96Å; A558-E560 PolarHBondContact O-N 3.24Å
561	D	88.6	Confident	86.2	Confident	23 Å²	23	80.3 Å²	80.3	12%	0.123	42%	0.416	C	S	.	.	G	3₁₀ helix	trans	-90.3	-8.1	178	-67.2	-39.9	0	0	0	112.2	R542 T544 K545 W546 A558 R559	R542-D561 IonicContact CZ-OD1 3.5Å; R542-D561 IonicContact NE-OD1 2.95Å; R542-D561 PolarHBondContact NE-OD1 2.84Å; R542-D561 VanDerWaalsContact NH2-CG 3.32Å; R542-D561 IonicContact NH2-OD1 3Å; R542-D561 PolarHBondContact NH2-OD1 2.86Å; R542-D561 IonicContact NH2-OD2 2.78Å; R542-D561 PolarHBondContact NH2-OD2 3.25Å; R542-D561 VanDerWaalsContact NH2-OD2 3.14Å; T544-D561 CarbonylContact C-O 3.56Å; K545-D561 CarbonylContact C-O 3.6Å; K545-D561 WeakPolarHBondContact CA-O 3.25Å; K545-D561 PolarHBondContact N-O 2.83Å; W546-D561 PolarHBondContact N-O 2.97Å; A558-D561 PolarHBondContact O-N 2.95Å; R559-D561 VanDerWaalsContact C-N 3.29Å; R559-D561 PolarHBondContact O-N 3.25Å
562	V	89.3	Confident	86.2	Confident	19 Å²	19	75.6 Å²	75.6	12%	0.115	39%	0.394	C	S	.	.	B	Isolated β-bridge	trans	-104.3	135.8	-178.3	-179.4	0	0	0	0	111	W546 L554 L557 R559 C564	W546-V562 WeakPolarHBondContact O-CA 3.34Å; L554-V562 HydrophobicContact CD1-CG1 4.04Å; L557-V562 HydrophobicContact CB-CG2 3.73Å; L557-V562 HydrophobicContact CD1-CG2 4.04Å; R559-V562 PolarHBondContact O-N 3.16Å; V562-C564 PolarHBondContact O-N 3.34Å
563	Q	84.4	Confident	85.9	Confident	50 Å²	50	72.4 Å²	72.4	23%	0.234	39%	0.39	C	S	.	.			trans	-86.8	101.2	176.4	-178.3	169.7	-10.8	0	0	111.5	K545 W546 R578	K545-Q563 HydrophobicContact CB-CB 4.47Å; W546-Q563 PolarHBondContact O-N 2.87Å; Q563-R578 PolarHBondContact O-NH1 2.85Å
564	C	72.3	Confident	85.8	Confident	94 Å²	94	72.5 Å²	72.5	64%	0.635	39%	0.391	S	S	*	.			trans	-93.9	-17.4	-176.2	-59.4	0	0	0	0	115.3	V562	V562-C564 PolarHBondContact O-N 3.34Å
565	E	66.6	Low	85.8	Confident	179 Å²	179	73.7 Å²	73.7	84%	0.836	40%	0.397	S	S	*	.	S	Bend	trans	-87.6	-19.1	-157.3	-64.6	-177.3	168.3	0	0	116.5
566	E	75.5	Confident	86	Confident	106 Å²	106	67.4 Å²	67.4	50%	0.495	37%	0.368	S	S	.	.			trans	-142.4	113	-171.6	-65.1	-178.5	168.6	0	0	112.6	V568 R578	E566-V568 PolarHBondContact O-N 2.93Å; E566-R578 PolarHBondContact O-NE 2.97Å; E566-R578 VanDerWaalsContact O-NE 3.15Å; E566-R578 PolarHBondContact O-NH2 2.89Å
567	D	82.3	Confident	86.4	Confident	95 Å²	95	65.1 Å²	65.1	51%	0.508	34%	0.335	S	S	.	.	S	Bend	trans	-56.6	-35.8	174	-72.2	-7.4	0	0	0	112.5	R578 T579	D567-R578 WeakPolarHBondContact O-CB 3.33Å; D567-R578 WeakPolarHBondContact O-CG 3.31Å; D567-R578 PolarHBondContact O-N 3.43Å; D567-R578 PolarHBondContact O-NE 3.11Å; D567-R578 IonicContact OD1-NH2 3.27Å; D567-T579 VanDerWaalsContact CG-OG1 3.3Å; D567-T579 PolarHBondContact OD2-OG1 3.44Å
568	V	87.1	Confident	86.6	Confident	62 Å²	62	63.9 Å²	63.9	38%	0.376	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	108.4	176	-174.9	0	0	0	0	109.6	E566 L575 W576 D577	E566-V568 PolarHBondContact O-N 2.93Å; V568-L575 HydrophobicContact CG1-CB 4.17Å; V568-L575 HydrophobicContact CG1-CD2 4.41Å; V568-W576 CarbonylContact C-O 3.52Å; V568-W576 WeakPolarHBondContact CA-O 3.35Å; V568-D577 HydrophobicContact CG2-CB 4.1Å
569	S	87.1	Confident	86.8	Confident	4 Å²	4	66.4 Å²	66.4	3%	0.028	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	172.6	178.3	77.5	0	0	0	0	111.6	L575 W576	S569-L575 WeakPolarHBondContact O-CA 3.46Å; S569-W576 PolarHBondContact N-O 3.28Å; S569-W576 PolarHBondContact O-N 3.15Å
570	K	89.7	Confident	87.2	Confident	131 Å²	131	58 Å²	58	57%	0.57	31%	0.314	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.7	128.3	170.1	-77.1	-178.8	178.2	-175.6	0	110.1	Q432 M574 L575	Q432-K570 PolarHBondContact NE2-O 3.43Å; K570-M574 CarbonylContact C-O 3.5Å; K570-M574 VanDerWaalsContact CA-O 3.26Å; K570-M574 WeakPolarHBondContact CA-O 3.29Å; K570-L575 HydrophobicContact CG-CD2 3.7Å
571	V	91.3	Very high	87.6	Confident	1 Å²	1	51.8 Å²	51.8	1%	0.006	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	111.2	169.3	-177.6	0	0	0	0	107.4	F424 Q432 V516 G573 M574 W576	F424-V571 HydrophobicContact CD1-CG1 4.03Å; F424-V571 HydrophobicContact CE1-CB 4.33Å; F424-V571 HydrophobicContact CE1-CG1 3.82Å; F424-V571 HydrophobicContact CE1-CG2 4.04Å; F424-V571 HydrophobicContact CZ-CG1 4.23Å; F424-V571 HydrophobicContact CZ-CG2 4.12Å; Q432-V571 VanDerWaalsContact OE1-CG2 3.31Å; V516-V571 HydrophobicContact CG1-CG1 3.56Å; V516-V571 HydrophobicContact CG2-CG1 4.1Å; V571-G573 PolarHBondContact O-N 3.08Å; V571-M574 PolarHBondContact N-O 3.31Å; V571-M574 PolarHBondContact O-N 2.75Å; V571-W576 HydrophobicContact CG2-CB 3.7Å; V571-W576 HydrophobicContact CG2-CD2 3.96Å; V571-W576 HydrophobicContact CG2-CE3 3.39Å; V571-W576 HydrophobicContact CG2-CG 4.14Å; V571-W576 HydrophobicContact CG2-CZ3 4.25Å
572	L	89.6	Confident	87.9	Confident	13 Å²	13	52.5 Å²	52.5	7%	0.068	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	51.7	32.6	174.6	-60.1	176.9	0	0	0	114	L417 I420 I421 Y511 D514 V516 Y610	L417-L572 HydrophobicContact CD1-CB 3.88Å; L417-L572 HydrophobicContact CD1-CD1 4.04Å; L417-L572 HydrophobicContact CD1-CD2 4.01Å; L417-L572 HydrophobicContact CD1-CG 4.18Å; I420-L572 HydrophobicContact CB-CD1 3.96Å; I420-L572 HydrophobicContact CG2-CD1 3.52Å; I421-L572 HydrophobicContact CD1-CB 4.27Å; I421-L572 HydrophobicContact CG1-CB 4.21Å; I421-L572 HydrophobicContact CG1-CD1 3.88Å; Y511-L572 HydrophobicContact CD1-CD2 4.03Å; Y511-L572 HydrophobicContact CG-CD2 4.09Å; D514-L572 HydrophobicContact CB-CD2 3.93Å; V516-L572 HydrophobicContact CB-CD1 4.33Å; V516-L572 HydrophobicContact CG1-CD1 4.46Å; V516-L572 HydrophobicContact CG2-CD1 4.24Å; V516-L572 HydrophobicContact CG2-CD2 4.4Å; V516-L572 HydrophobicContact CG2-CG 4.13Å; L572-Y610 WeakPolarHBondContact O-CE1 3.2Å; L572-Y610 PolarHBondContact O-OH 2.93Å
573	G	87.8	Confident	88.2	Confident	42 Å²	42	51.7 Å²	51.7	43%	0.433	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	94.8	-18.6	-179	0	0	0	0	0	116	V571	V571-G573 PolarHBondContact O-N 3.08Å
574	M	90.4	Very high	88.7	Confident	3 Å²	3	50.3 Å²	50.3	2%	0.015	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	149.7	174.5	-62	-172.1	63.2	0	0	110.9	I421 K570 V571 F583 Y610 P612 L613 L615	I421-M574 HydrophobicContact CD1-SD 4.15Å; I421-M574 HydrophobicContact CG2-SD 4.04Å; K570-M574 CarbonylContact C-O 3.5Å; K570-M574 VanDerWaalsContact CA-O 3.26Å; K570-M574 WeakPolarHBondContact CA-O 3.29Å; V571-M574 PolarHBondContact N-O 3.31Å; V571-M574 PolarHBondContact O-N 2.75Å; M574-F583 HydrophobicContact CB-CD1 4.33Å; M574-F583 HydrophobicContact CE-CB 4.03Å; M574-F583 HydrophobicContact CE-CD1 4.14Å; M574-F583 HydrophobicContact CE-CD2 4.03Å; M574-F583 HydrophobicContact CE-CE2 4.49Å; M574-F583 HydrophobicContact CE-CG 3.82Å; M574-Y610 HydrophobicContact CG-CD1 4.39Å; M574-Y610 HydrophobicContact CG-CE1 4.16Å; M574-P612 HydrophobicContact CG-CG 3.95Å; M574-P612 HydrophobicContact SD-CG 3.63Å; M574-L613 HydrophobicContact CE-CD1 3.96Å; M574-L613 HydrophobicContact SD-CD1 4.03Å; M574-L613 HydrophobicContact SD-CG 4.43Å; M574-L615 HydrophobicContact CE-CD1 4.14Å
575	L	93.8	Very high	89.7	Confident	31 Å²	31	46.6 Å²	46.6	16%	0.162	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	130.8	170.3	-64.1	-179.8	0	0	0	109.6	V568 S569 K570 F583 T584 K586	V568-L575 HydrophobicContact CG1-CB 4.17Å; V568-L575 HydrophobicContact CG1-CD2 4.41Å; S569-L575 WeakPolarHBondContact O-CA 3.46Å; K570-L575 HydrophobicContact CG-CD2 3.7Å; L575-F583 VanDerWaalsContact O-CA 3.27Å; L575-F583 WeakPolarHBondContact O-CA 3.36Å; L575-T584 HydrophobicContact CB-CG2 3.69Å; L575-T584 WeakPolarHBondContact CB-O 3.34Å; L575-T584 HydrophobicContact CD1-CG2 4.1Å; L575-T584 PolarHBondContact O-N 2.86Å; L575-K586 HydrophobicContact CD1-CB 3.92Å
576	W	95.1	Very high	90.8	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	117.1	176.8	175.3	41.5	0	0	0	109	F424 A430 N549 V568 S569 V571 R578 D581 F583	F424-W576 HydrophobicContact CE1-CD2 4.29Å; F424-W576 HydrophobicContact CE1-CE3 4.5Å; F424-W576 HydrophobicContact CE2-CH2 4.5Å; F424-W576 HydrophobicContact CZ-CD2 4Å; F424-W576 AromaticContact CZ-CE3 3.91Å; F424-W576 HydrophobicContact CZ-CE3 3.91Å; F424-W576 AromaticContact CZ-CH2 3.91Å; F424-W576 HydrophobicContact CZ-CH2 3.91Å; F424-W576 HydrophobicContact CZ-CZ2 4.02Å; F424-W576 AromaticContact CZ-CZ3 3.85Å; F424-W576 HydrophobicContact CZ-CZ3 3.85Å; A430-W576 HydrophobicContact CB-CH2 3.53Å; A430-W576 HydrophobicContact CB-CZ2 3.39Å; N549-W576 HydrophobicContact CB-CH2 4.49Å; N549-W576 HydrophobicContact CB-CZ2 3.81Å; V568-W576 CarbonylContact C-O 3.52Å; V568-W576 WeakPolarHBondContact CA-O 3.35Å; S569-W576 PolarHBondContact N-O 3.28Å; S569-W576 PolarHBondContact O-N 3.15Å; V571-W576 HydrophobicContact CG2-CB 3.7Å; V571-W576 HydrophobicContact CG2-CD2 3.96Å; V571-W576 HydrophobicContact CG2-CE3 3.39Å; V571-W576 HydrophobicContact CG2-CG 4.14Å; V571-W576 HydrophobicContact CG2-CZ3 4.25Å; W576-R578 HydrophobicContact CD2-CG 3.89Å; W576-R578 HydrophobicContact CE3-CG 3.69Å; W576-R578 HydrophobicContact CH2-CG 3.99Å; W576-R578 HydrophobicContact CZ2-CG 4.14Å; W576-R578 HydrophobicContact CZ3-CG 3.75Å; W576-D581 PolarHBondContact NE1-OD1 2.95Å; W576-F583 HydrophobicContact CB-CD1 4.13Å; W576-F583 HydrophobicContact CB-CE1 4.17Å; W576-F583 HydrophobicContact CG-CE1 4.44Å
577	D	94.3	Very high	91.5	Very high	40 Å²	40	42.5 Å²	42.5	21%	0.214	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	109	165.9	177.6	-7.6	0	0	0	108.2	V568 T579 S580 D581 N582	V568-D577 HydrophobicContact CG2-CB 4.1Å; D577-T579 VanDerWaalsContact C-N 3.33Å; D577-T579 WeakPolarHBondContact OD1-CB 3.36Å; D577-T579 PolarHBondContact OD1-N 3.43Å; D577-S580 PolarHBondContact OD1-N 3.09Å; D577-S580 VanDerWaalsContact OD1-N 3.08Å; D577-S580 WeakPolarHBondContact OD2-CB 3.21Å; D577-S580 PolarHBondContact OD2-OG 2.89Å; D577-D581 CarbonylContact O-C 3.6Å; D577-D581 WeakPolarHBondContact O-CA 3.43Å; D577-D581 PolarHBondContact O-N 3.42Å; D577-N582 PolarHBondContact N-O 3.11Å; D577-N582 PolarHBondContact O-N 2.8Å; D577-N582 VanDerWaalsContact O-N 3.09Å
578	R	93.3	Very high	91.7	Very high	20 Å²	20	38.6 Å²	38.6	8%	0.075	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-33.3	-177.9	-60.9	178	-61.2	163.3	16	111.6	N549 Q563 E566 D567 W576	N549-R578 WeakPolarHBondContact CA-O 3.31Å; N549-R578 WeakPolarHBondContact CB-O 3.46Å; Q563-R578 PolarHBondContact O-NH1 2.85Å; E566-R578 PolarHBondContact O-NE 2.97Å; E566-R578 VanDerWaalsContact O-NE 3.15Å; E566-R578 PolarHBondContact O-NH2 2.89Å; D567-R578 WeakPolarHBondContact O-CB 3.33Å; D567-R578 WeakPolarHBondContact O-CG 3.31Å; D567-R578 PolarHBondContact O-N 3.43Å; D567-R578 PolarHBondContact O-NE 3.11Å; D567-R578 IonicContact OD1-NH2 3.27Å; W576-R578 HydrophobicContact CD2-CG 3.89Å; W576-R578 HydrophobicContact CE3-CG 3.69Å; W576-R578 HydrophobicContact CH2-CG 3.99Å; W576-R578 HydrophobicContact CZ2-CG 4.14Å; W576-R578 HydrophobicContact CZ3-CG 3.75Å
579	T	92.1	Very high	91.5	Very high	102 Å²	102	40.9 Å²	40.9	63%	0.626	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.3	-45.8	-177.4	-56.5	0	0	0	0	110.7	D567 D577	D567-T579 VanDerWaalsContact CG-OG1 3.3Å; D567-T579 PolarHBondContact OD2-OG1 3.44Å; D577-T579 VanDerWaalsContact C-N 3.33Å; D577-T579 WeakPolarHBondContact OD1-CB 3.36Å; D577-T579 PolarHBondContact OD1-N 3.43Å
580	S	93.6	Very high	91	Very high	56 Å²	56	42.6 Å²	42.6	39%	0.392	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.7	-4.9	176.6	75.9	0	0	0	0	114.4	D577 N582	D577-S580 PolarHBondContact OD1-N 3.09Å; D577-S580 VanDerWaalsContact OD1-N 3.08Å; D577-S580 WeakPolarHBondContact OD2-CB 3.21Å; D577-S580 PolarHBondContact OD2-OG 2.89Å; S580-N582 VanDerWaalsContact C-N 3.3Å; S580-N582 WeakPolarHBondContact CB-ND2 3.31Å; S580-N582 PolarHBondContact O-N 2.86Å; S580-N582 PolarHBondContact O-ND2 3.35Å; S580-N582 VanDerWaalsContact O-ND2 3.11Å; S580-N582 PolarHBondContact OG-ND2 3.04Å
581	D	95.4	Very high	90.4	Very high	17 Å²	17	38.1 Å²	38.1	9%	0.091	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.1	43.8	-173.1	-164.5	31	0	0	0	114.1	N549 W576 D577 R666	N549-D581 HydrophobicContact CB-CB 4.38Å; N549-D581 PolarHBondContact ND2-OD2 3.07Å; W576-D581 PolarHBondContact NE1-OD1 2.95Å; D577-D581 CarbonylContact O-C 3.6Å; D577-D581 WeakPolarHBondContact O-CA 3.43Å; D577-D581 PolarHBondContact O-N 3.42Å; D581-R666 WeakPolarHBondContact O-CB 3.19Å; D581-R666 PolarHBondContact O-N 3.06Å; D581-R666 WeakPolarHBondContact OD1-CD 3.38Å; D581-R666 IonicContact OD1-CZ 2.66Å; D581-R666 IonicContact OD1-NE 3.68Å; D581-R666 PolarHBondContact OD1-NE 3.15Å; D581-R666 IonicContact OD1-NH2 3.24Å; D581-R666 IonicContact OD2-CZ 3.83Å; D581-R666 IonicContact OD2-NE 3.41Å; D581-R666 PolarHBondContact OD2-NE 2.77Å; D581-R666 IonicContact OD2-NH2 3.97Å; D581-R666 PolarHBondContact OD2-NH2 3.25Å
582	N	95.8	Very high	89.1	Confident	38 Å²	38	42.5 Å²	42.5	20%	0.203	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	146.8	-176.2	-67.2	-49	0	0	0	112.3	D577 S580 L664 A665	D577-N582 PolarHBondContact N-O 3.11Å; D577-N582 PolarHBondContact O-N 2.8Å; D577-N582 VanDerWaalsContact O-N 3.09Å; S580-N582 VanDerWaalsContact C-N 3.3Å; S580-N582 WeakPolarHBondContact CB-ND2 3.31Å; S580-N582 PolarHBondContact O-N 2.86Å; S580-N582 PolarHBondContact O-ND2 3.35Å; S580-N582 VanDerWaalsContact O-ND2 3.11Å; S580-N582 PolarHBondContact OG-ND2 3.04Å; N582-L664 CarbonylContact C-O 3.54Å; N582-L664 VanDerWaalsContact CA-O 3.24Å; N582-L664 WeakPolarHBondContact CA-O 3.39Å; N582-A665 WeakPolarHBondContact OD1-CA 3.48Å; N582-A665 PolarHBondContact OD1-N 2.83Å
583	F	95.7	Very high	87.7	Confident	2 Å²	2	47.8 Å²	47.8	1%	0.009	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	145.6	162.4	-64.8	-54.3	0	0	0	111.5	F424 R425 M574 L575 W576 L613 T663 L664 R666	F424-F583 HydrophobicContact CD1-CE1 4.38Å; F424-F583 AromaticContact CD1-CZ 3.93Å; F424-F583 HydrophobicContact CD1-CZ 3.93Å; F424-F583 HydrophobicContact CE1-CE1 4.1Å; F424-F583 HydrophobicContact CE1-CZ 4.04Å; R425-F583 HydrophobicContact CG-CE2 3.65Å; R425-F583 HydrophobicContact CG-CZ 4.1Å; M574-F583 HydrophobicContact CB-CD1 4.33Å; M574-F583 HydrophobicContact CE-CB 4.03Å; M574-F583 HydrophobicContact CE-CD1 4.14Å; M574-F583 HydrophobicContact CE-CD2 4.03Å; M574-F583 HydrophobicContact CE-CE2 4.49Å; M574-F583 HydrophobicContact CE-CG 3.82Å; L575-F583 VanDerWaalsContact O-CA 3.27Å; L575-F583 WeakPolarHBondContact O-CA 3.36Å; W576-F583 HydrophobicContact CB-CD1 4.13Å; W576-F583 HydrophobicContact CB-CE1 4.17Å; W576-F583 HydrophobicContact CG-CE1 4.44Å; F583-L613 HydrophobicContact CE2-CD1 4.44Å; F583-T663 WeakPolarHBondContact O-CA 3.48Å; F583-L664 PolarHBondContact N-O 2.82Å; F583-L664 PolarHBondContact O-N 2.9Å; F583-R666 HydrophobicContact CD2-CB 4.43Å; F583-R666 HydrophobicContact CE1-CG 4.34Å; F583-R666 HydrophobicContact CE2-CB 4.07Å; F583-R666 HydrophobicContact CE2-CG 3.85Å; F583-R666 HydrophobicContact CZ-CB 4.24Å; F583-R666 HydrophobicContact CZ-CG 3.67Å
584	T	94.9	Very high	86.6	Confident	21 Å²	21	51 Å²	51	13%	0.129	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	179.3	173.6	-171.8	0	0	0	0	111	L575 P660 V662	L575-T584 HydrophobicContact CB-CG2 3.69Å; L575-T584 WeakPolarHBondContact CB-O 3.34Å; L575-T584 HydrophobicContact CD1-CG2 4.1Å; L575-T584 PolarHBondContact O-N 2.86Å; T584-P660 PolarHBondContact OG1-O 3.27Å; T584-V662 PolarHBondContact OG1-O 3.15Å
585	F	93.1	Very high	85.7	Confident	16 Å²	16	52.4 Å²	52.4	7%	0.07	31%	0.309	C	S	.	.			trans	-130.2	139.9	-175.2	-63.1	-87.8	0	0	0	112.4	D611 L615 L616 L659 V662	F585-D611 HydrophobicContact CE1-CB 4.21Å; F585-L615 HydrophobicContact CZ-CB 4.2Å; F585-L615 HydrophobicContact CZ-CD1 4.16Å; F585-L616 HydrophobicContact CD1-CD1 3.65Å; F585-L616 HydrophobicContact CD1-CG 4.41Å; F585-L616 HydrophobicContact CD2-CD1 4.15Å; F585-L616 HydrophobicContact CD2-CD2 4.11Å; F585-L616 HydrophobicContact CD2-CG 4.32Å; F585-L616 HydrophobicContact CE1-CD1 3.63Å; F585-L616 HydrophobicContact CE1-CG 4.01Å; F585-L616 HydrophobicContact CE2-CD1 4.13Å; F585-L616 HydrophobicContact CE2-CD2 3.88Å; F585-L616 HydrophobicContact CE2-CG 3.9Å; F585-L616 HydrophobicContact CG-CD1 3.91Å; F585-L616 HydrophobicContact CZ-CD1 3.88Å; F585-L616 HydrophobicContact CZ-CD2 4.24Å; F585-L616 HydrophobicContact CZ-CG 3.73Å; F585-L659 HydrophobicContact CB-CB 4Å; F585-L659 HydrophobicContact CB-CD2 4.09Å; F585-V662 HydrophobicContact CD2-CB 4.11Å; F585-V662 HydrophobicContact CD2-CG1 4.04Å; F585-V662 HydrophobicContact CE2-CB 4.48Å; F585-V662 HydrophobicContact CE2-CG1 3.9Å
586	K	89.5	Confident	84.8	Confident	150 Å²	150	54.2 Å²	54.2	65%	0.652	32%	0.323	S	S	*	.	P	Polyproline II helix	trans	-81.6	139.7	174.6	-166.8	170	177.1	169	0	110.6	L575 P588	L575-K586 HydrophobicContact CD1-CB 3.92Å; K586-P588 VanDerWaalsContact O-CD 3.32Å; K586-P588 WeakPolarHBondContact O-CD 3.16Å
587	V	90.7	Very high	84.3	Confident	48 Å²	48	54.2 Å²	54.2	29%	0.291	32%	0.323	S	S	.	.	P	Polyproline II helix	trans	-62.8	122.5	167.5	-176.6	0	0	0	0	110	I591 P660	V587-I591 HydrophobicContact CG1-CD1 3.3Å; V587-P660 HydrophobicContact CG2-CG 3.7Å
588	P	86.4	Confident	84.1	Confident	14 Å²	14	53.2 Å²	53.2	9%	0.091	32%	0.318	C	S	.	.	P	Polyproline II helix	trans	-59.9	145.8	176.5	-26.6	35.5	0	0	0	112.6	K586 I591 M605 K608 L609 L656 L659	K586-P588 VanDerWaalsContact O-CD 3.32Å; K586-P588 WeakPolarHBondContact O-CD 3.16Å; P588-I591 WeakPolarHBondContact O-CD1 3.37Å; P588-M605 HydrophobicContact CB-SD 3.81Å; P588-M605 HydrophobicContact CG-SD 4.43Å; P588-K608 HydrophobicContact CB-CB 4.04Å; P588-K608 HydrophobicContact CB-CD 3.93Å; P588-K608 HydrophobicContact CG-CB 4.27Å; P588-L609 HydrophobicContact CG-CD2 3.74Å; P588-L656 HydrophobicContact CG-CD1 4.3Å; P588-L659 HydrophobicContact CG-CD1 4.25Å
589	T	82.5	Confident	83.9	Confident	109 Å²	109	52.8 Å²	52.8	67%	0.669	32%	0.317	S	S	*	.	S	Bend	trans	-70.8	147.3	173.6	54.8	0	0	0	0	111.4	K608	T589-K608 PolarHBondContact O-NZ 3.35Å
590	G	76.9	Confident	83.7	Confident	40 Å²	40	53.3 Å²	53.3	41%	0.412	31%	0.307	S	S	.	.			trans	85.1	38.9	175.1	0	0	0	0	0	114.4	T592 M605 R653	G590-T592 PolarHBondContact O-N 3.15Å; G590-M605 WeakPolarHBondContact O-CE 3.34Å; G590-R653 PolarHBondContact O-NH2 3.33Å
591	I	75.6	Confident	83.5	Confident	37 Å²	37	54.2 Å²	54.2	19%	0.19	31%	0.305	C	S	.	.			trans	-83.8	31.8	170.2	-58.2	171.9	0	0	0	110.8	V587 P588 M605 R653 L656 T657	V587-I591 HydrophobicContact CG1-CD1 3.3Å; P588-I591 WeakPolarHBondContact O-CD1 3.37Å; I591-M605 HydrophobicContact CG1-CE 4.4Å; I591-R653 HydrophobicContact CG2-CG 4.29Å; I591-L656 HydrophobicContact CD1-CB 4.04Å; I591-T657 HydrophobicContact CD1-CG2 4.33Å; I591-T657 HydrophobicContact CG2-CG2 4.19Å
592	T	64.8	Low	83.2	Confident	93 Å²	93	53.5 Å²	53.5	57%	0.571	30%	0.302	S	S	*	.			trans	-74.4	136.5	-178.8	44.8	0	0	0	0	112.9	G590 S594 R653	G590-T592 PolarHBondContact O-N 3.15Å; T592-S594 PolarHBondContact O-N 3.49Å; T592-S594 VanDerWaalsContact O-N 3.11Å; T592-R653 PolarHBondContact O-NH1 2.89Å; T592-R653 PolarHBondContact O-NH2 2.88Å
593	L	60.7	Low	82.8	Confident	125 Å²	125	53.5 Å²	53.5	65%	0.654	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.5	1.3	-170.1	-71.9	153.4	0	0	0	116.3	W650 L654	L593-W650 HydrophobicContact CD2-CZ2 3.71Å; L593-L654 HydrophobicContact CD2-CD1 4.39Å
594	S	64	Low	82.4	Confident	108 Å²	108	56.2 Å²	56.2	76%	0.755	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.8	-2.4	-161.5	61.3	0	0	0	0	116.5	T592	T592-S594 PolarHBondContact O-N 3.49Å; T592-S594 VanDerWaalsContact O-N 3.11Å
595	S	72.5	Confident	82.2	Confident	33 Å²	33	55.7 Å²	55.7	23%	0.231	32%	0.318	C	S	.	.			trans	-104.4	130.6	177.8	-177.8	0	0	0	0	110.2	G597 E601	S595-G597 PolarHBondContact O-N 3.09Å; S595-G597 VanDerWaalsContact O-N 3.11Å; S595-G597 PolarHBondContact OG-N 3.28Å; S595-E601 PolarHBondContact OG-OE1 3.11Å; S595-E601 PolarHBondContact OG-OE2 2.8Å
596	P	73	Confident	81.9	Confident	70 Å²	70	56.3 Å²	56.3	46%	0.455	33%	0.326	S	S	.	.			trans	-68.5	-2.1	172.5	33.2	-37	0	0	0	112.6	T640 T646	P596-T640 HydrophobicContact CB-CG2 3.67Å; P596-T640 HydrophobicContact CG-CG2 3.85Å; P596-T646 WeakPolarHBondContact O-CG2 3.09Å
597	G	84.5	Confident	81.8	Confident	0 Å²	0	53 Å²	53	0%	0	33%	0.327	C	S	.	.			trans	87.7	139.7	176.4	0	0	0	0	0	112.5	S595 E601 T640 L641	S595-G597 PolarHBondContact O-N 3.09Å; S595-G597 VanDerWaalsContact O-N 3.11Å; S595-G597 PolarHBondContact OG-N 3.28Å; G597-E601 WeakPolarHBondContact CA-OE2 3.39Å; G597-T640 WeakPolarHBondContact O-CA 3.47Å; G597-L641 PolarHBondContact O-N 2.94Å
598	T	90.1	Very high	81.7	Confident	19 Å²	19	55 Å²	55	12%	0.117	33%	0.332	C	S	.	.	B	Isolated β-bridge	trans	-120.8	164.6	164.3	71.9	0	0	0	0	110	R600 E601 L602 W637 E639	T598-R600 PolarHBondContact O-N 3.43Å; T598-R600 PolarHBondContact OG1-N 3.11Å; T598-E601 PolarHBondContact N-OE2 3.3Å; T598-E601 PolarHBondContact O-N 3.39Å; T598-E601 VanDerWaalsContact O-N 3.08Å; T598-E601 WeakPolarHBondContact OG1-CG 3.41Å; T598-E601 PolarHBondContact OG1-N 3.22Å; T598-L602 PolarHBondContact O-N 2.95Å; T598-W637 WeakPolarHBondContact CB-O 3.44Å; T598-W637 PolarHBondContact OG1-O 2.73Å; T598-E639 WeakPolarHBondContact CA-O 3.12Å; T598-E639 WeakPolarHBondContact CB-O 3.3Å
599	K	89.1	Confident	81.7	Confident	11 Å²	11	55.5 Å²	55.5	5%	0.048	33%	0.333	C	S	.	.	H	α-helix	trans	-53.2	-39.7	172.2	179.8	-176.5	-73.6	179.4	0	111.2	L602 V603 F627 T630 W631 T635 W637	K599-L602 PolarHBondContact O-N 3.31Å; K599-V603 WeakPolarHBondContact O-CG2 3.38Å; K599-V603 PolarHBondContact O-N 3.2Å; K599-F627 HydrophobicContact CD-CE2 4.12Å; K599-F627 HydrophobicContact CG-CD2 4.23Å; K599-F627 HydrophobicContact CG-CE2 3.81Å; K599-T630 HydrophobicContact CB-CG2 3.94Å; K599-T630 HydrophobicContact CG-CG2 4.1Å; K599-W631 HydrophobicContact CD-CE3 4.11Å; K599-W631 HydrophobicContact CD-CZ3 4.32Å; K599-T635 WeakPolarHBondContact CE-O 3.43Å; K599-T635 PolarHBondContact NZ-O 3.36Å; K599-W637 HydrophobicContact CB-CE3 4.32Å; K599-W637 HydrophobicContact CD-CD2 4.1Å; K599-W637 HydrophobicContact CD-CE3 3.99Å; K599-W637 HydrophobicContact CD-CH2 4.42Å; K599-W637 HydrophobicContact CD-CZ3 4.16Å; K599-W637 HydrophobicContact CG-CD2 4.49Å; K599-W637 HydrophobicContact CG-CE3 3.88Å; K599-W637 HydrophobicContact CG-CZ3 3.92Å; K599-W637 PolarHBondContact N-O 2.75Å
600	R	88.7	Confident	82	Confident	113 Å²	113	54.7 Å²	54.7	43%	0.426	32%	0.319	S	S	.	.	H	α-helix	trans	-63.1	-44.5	176.1	-171.2	-175.7	-55.8	-76.9	0.4	112.3	T598 S604 W637 D638	T598-R600 PolarHBondContact O-N 3.43Å; T598-R600 PolarHBondContact OG1-N 3.11Å; R600-S604 WeakPolarHBondContact O-CB 3.28Å; R600-S604 PolarHBondContact O-N 3.14Å; R600-W637 HydrophobicContact CB-CE3 4.09Å; R600-W637 WeakPolarHBondContact CB-O 3.24Å; R600-W637 PolarHBondContact N-O 2.67Å; R600-D638 IonicContact CZ-OD1 3.99Å; R600-D638 IonicContact CZ-OD2 3.14Å; R600-D638 IonicContact NE-OD1 3.67Å; R600-D638 PolarHBondContact NE-OD1 3.1Å; R600-D638 IonicContact NE-OD2 3.42Å; R600-D638 IonicContact NH2-OD1 3.32Å; R600-D638 IonicContact NH2-OD2 2.77Å; R600-D638 PolarHBondContact NH2-OD2 3.39Å
601	E	90	Very high	82.7	Confident	74 Å²	74	54.1 Å²	54.1	35%	0.346	31%	0.306	S	S	.	.	H	α-helix	trans	-65.6	-39.6	179.5	-70.4	-178.6	151.1	0	0	112.1	S595 G597 T598 M605 W649	S595-E601 PolarHBondContact OG-OE1 3.11Å; S595-E601 PolarHBondContact OG-OE2 2.8Å; G597-E601 WeakPolarHBondContact CA-OE2 3.39Å; T598-E601 PolarHBondContact N-OE2 3.3Å; T598-E601 PolarHBondContact O-N 3.39Å; T598-E601 VanDerWaalsContact O-N 3.08Å; T598-E601 WeakPolarHBondContact OG1-CG 3.41Å; T598-E601 PolarHBondContact OG1-N 3.22Å; E601-M605 WeakPolarHBondContact O-CB 3.41Å; E601-M605 PolarHBondContact O-N 3.23Å; E601-W649 HydrophobicContact CB-CZ2 4.17Å
602	L	89	Confident	83.4	Confident	3 Å²	3	53.2 Å²	53.2	2%	0.016	30%	0.303	C	S	.	.	H	α-helix	trans	-60.1	-53.4	176	-173.3	162.4	0	0	0	111.3	T598 K599 M605 A606 L626 F627 L641 I645 W649	T598-L602 PolarHBondContact O-N 2.95Å; K599-L602 PolarHBondContact O-N 3.31Å; L602-M605 PolarHBondContact O-N 3.4Å; L602-A606 PolarHBondContact O-N 3.06Å; L602-L626 HydrophobicContact CD1-CB 4.03Å; L602-F627 HydrophobicContact CD2-CB 3.66Å; L602-F627 HydrophobicContact CD2-CD2 4.44Å; L602-F627 HydrophobicContact CD2-CG 4.39Å; L602-L641 HydrophobicContact CD1-CD1 4.25Å; L602-I645 HydrophobicContact CD1-CG2 4.5Å; L602-W649 HydrophobicContact CD1-CB 4.44Å; L602-W649 HydrophobicContact CD1-CG 4.24Å; L602-W649 HydrophobicContact CG-CG 4.42Å
603	V	87.3	Confident	84.7	Confident	38 Å²	38	48.8 Å²	48.8	23%	0.23	28%	0.276	C	S	.	.	H	α-helix	trans	-63.9	-44	179.6	177.4	0	0	0	0	111.1	K599 M605 A606 A607 F627 W637	K599-V603 WeakPolarHBondContact O-CG2 3.38Å; K599-V603 PolarHBondContact O-N 3.2Å; V603-M605 VanDerWaalsContact C-N 3.29Å; V603-M605 PolarHBondContact O-N 3.11Å; V603-A606 PolarHBondContact O-N 2.55Å; V603-A607 VanDerWaalsContact O-CB 3.29Å; V603-A607 WeakPolarHBondContact O-CB 3.43Å; V603-A607 PolarHBondContact O-N 2.94Å; V603-F627 HydrophobicContact CG2-CD1 4.18Å; V603-F627 HydrophobicContact CG2-CD2 3.25Å; V603-F627 HydrophobicContact CG2-CE1 4.15Å; V603-F627 HydrophobicContact CG2-CE2 3.21Å; V603-F627 HydrophobicContact CG2-CG 3.79Å; V603-F627 HydrophobicContact CG2-CZ 3.7Å; V603-W637 HydrophobicContact CG2-CZ3 4.27Å
604	S	87.9	Confident	86.3	Confident	59 Å²	59	43.1 Å²	43.1	41%	0.413	25%	0.247	S	C	.	.	H	α-helix	trans	-60.1	-40.1	178.1	-178.2	0	0	0	0	111.8	R600 K608	R600-S604 WeakPolarHBondContact O-CB 3.28Å; R600-S604 PolarHBondContact O-N 3.14Å; S604-K608 WeakPolarHBondContact O-CG 3.45Å; S604-K608 PolarHBondContact O-N 2.82Å
605	M	89.6	Confident	87.7	Confident	9 Å²	9	38 Å²	38	4%	0.044	21%	0.211	C	C	.	.	H	α-helix	trans	-69.5	-44.8	177.4	-169.3	61.2	71.5	0	0	112	P588 G590 I591 E601 L602 V603 A607 K608 W652 R653 L656	P588-M605 HydrophobicContact CB-SD 3.81Å; P588-M605 HydrophobicContact CG-SD 4.43Å; G590-M605 WeakPolarHBondContact O-CE 3.34Å; I591-M605 HydrophobicContact CG1-CE 4.4Å; E601-M605 WeakPolarHBondContact O-CB 3.41Å; E601-M605 PolarHBondContact O-N 3.23Å; L602-M605 PolarHBondContact O-N 3.4Å; V603-M605 VanDerWaalsContact C-N 3.29Å; V603-M605 PolarHBondContact O-N 3.11Å; M605-A607 VanDerWaalsContact C-N 3.33Å; M605-A607 PolarHBondContact O-N 3.02Å; M605-K608 WeakPolarHBondContact O-CB 3.19Å; M605-K608 PolarHBondContact O-N 3.41Å; M605-K608 HydrophobicContact SD-CD 4.18Å; M605-W652 HydrophobicContact CB-CZ3 4.36Å; M605-W652 HydrophobicContact CG-CH2 4.43Å; M605-W652 HydrophobicContact CG-CZ3 3.85Å; M605-R653 HydrophobicContact CE-CG 4.45Å; M605-R653 HydrophobicContact CG-CG 4.5Å; M605-L656 HydrophobicContact CG-CD1 3.89Å; M605-L656 HydrophobicContact SD-CD1 4.14Å
606	A	87.6	Confident	88.8	Confident	29 Å²	29	36.4 Å²	36.4	24%	0.24	20%	0.2	C	C	.	.	H	α-helix	trans	-60.1	-42.3	176.4	0	0	0	0	0	112.2	L602 V603 K608 L609 A623 W652	L602-A606 PolarHBondContact O-N 3.06Å; V603-A606 PolarHBondContact O-N 2.55Å; A606-K608 PolarHBondContact O-N 3.18Å; A606-L609 WeakPolarHBondContact O-CB 3.28Å; A606-L609 PolarHBondContact O-N 3.46Å; A606-A623 HydrophobicContact CB-CB 3.97Å; A606-W652 HydrophobicContact CB-CH2 4.31Å
607	A	85.9	Confident	89.9	Confident	81 Å²	81	33.3 Å²	33.3	67%	0.669	18%	0.18	S	C	*	.	H	α-helix	trans	-69.4	-16.9	180	0	0	0	0	0	114.2	V603 M605 L609	V603-A607 VanDerWaalsContact O-CB 3.29Å; V603-A607 WeakPolarHBondContact O-CB 3.43Å; V603-A607 PolarHBondContact O-N 2.94Å; M605-A607 VanDerWaalsContact C-N 3.33Å; M605-A607 PolarHBondContact O-N 3.02Å; A607-L609 PolarHBondContact O-N 3.33Å
608	K	88.5	Confident	90.5	Very high	91 Å²	91	33.3 Å²	33.3	40%	0.396	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-17.4	173.2	-74.1	170.6	-173.6	175.8	0	112.8	P588 T589 S604 M605 A606 Y610	P588-K608 HydrophobicContact CB-CB 4.04Å; P588-K608 HydrophobicContact CB-CD 3.93Å; P588-K608 HydrophobicContact CG-CB 4.27Å; T589-K608 PolarHBondContact O-NZ 3.35Å; S604-K608 WeakPolarHBondContact O-CG 3.45Å; S604-K608 PolarHBondContact O-N 2.82Å; M605-K608 WeakPolarHBondContact O-CB 3.19Å; M605-K608 PolarHBondContact O-N 3.41Å; M605-K608 HydrophobicContact SD-CD 4.18Å; A606-K608 PolarHBondContact O-N 3.18Å; K608-Y610 PolarHBondContact O-N 2.9Å
609	L	88.2	Confident	90.7	Very high	23 Å²	23	32.4 Å²	32.4	12%	0.12	18%	0.175	C	C	.	.			trans	-80.3	97.7	176	-58.4	-179.1	0	0	0	109.3	P588 A606 A607 D611 T620 W652 L656 L659	P588-L609 HydrophobicContact CG-CD2 3.74Å; A606-L609 WeakPolarHBondContact O-CB 3.28Å; A606-L609 PolarHBondContact O-N 3.46Å; A607-L609 PolarHBondContact O-N 3.33Å; L609-D611 PolarHBondContact O-N 3.16Å; L609-T620 HydrophobicContact CB-CG2 4.38Å; L609-T620 HydrophobicContact CD1-CG2 3.88Å; L609-W652 HydrophobicContact CD1-CH2 3.73Å; L609-W652 HydrophobicContact CD1-CZ2 3.49Å; L609-W652 VanDerWaalsContact CD1-CZ2 3.49Å; L609-L656 HydrophobicContact CD1-CD2 3.87Å; L609-L656 HydrophobicContact CD2-CD1 4.46Å; L609-L656 HydrophobicContact CD2-CD2 4.21Å; L609-L659 HydrophobicContact CD2-CD1 3.55Å; L609-L659 HydrophobicContact CD2-CD2 4.44Å
610	Y	88.4	Confident	90.9	Very high	93 Å²	93	32.9 Å²	32.9	37%	0.365	18%	0.178	S	C	.	.			trans	-87.5	105	176.8	-176.4	-101.8	0	0	0	110.1	L417 L572 M574 K608 P612	L417-Y610 WeakPolarHBondContact CD2-OH 3.37Å; L572-Y610 WeakPolarHBondContact O-CE1 3.2Å; L572-Y610 PolarHBondContact O-OH 2.93Å; M574-Y610 HydrophobicContact CG-CD1 4.39Å; M574-Y610 HydrophobicContact CG-CE1 4.16Å; K608-Y610 PolarHBondContact O-N 2.9Å; Y610-P612 HydrophobicContact CE1-CG 3.85Å
611	D	90.7	Very high	91.1	Very high	27 Å²	27	27.5 Å²	27.5	14%	0.144	16%	0.158	C	C	.	.			trans	-138.9	77.2	-175.6	176.6	25.5	0	0	0	110.5	F585 L609 L613 G614 L615 L616	F585-D611 HydrophobicContact CE1-CB 4.21Å; L609-D611 PolarHBondContact O-N 3.16Å; D611-L613 VanDerWaalsContact C-N 3.26Å; D611-L613 PolarHBondContact O-N 3.19Å; D611-G614 PolarHBondContact O-N 2.83Å; D611-G614 PolarHBondContact OD1-N 2.74Å; D611-G614 WeakPolarHBondContact OD2-CA 3.36Å; D611-L615 PolarHBondContact OD1-N 2.9Å; D611-L615 PolarHBondContact OD2-N 3.14Å; D611-L616 HydrophobicContact CB-CB 4.48Å; D611-L616 HydrophobicContact CB-CD1 4.46Å; D611-L616 WeakPolarHBondContact OD2-CA 3.05Å; D611-L616 WeakPolarHBondContact OD2-CB 3.13Å; D611-L616 PolarHBondContact OD2-N 2.87Å
612	P	90.6	Very high	91.4	Very high	19 Å²	19	26.5 Å²	26.5	12%	0.123	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-31.4	-175	24.3	-33.2	0	0	0	113	I421 M574 Y610 K715	I421-P612 HydrophobicContact CD1-CB 3.98Å; I421-P612 HydrophobicContact CD1-CG 3.46Å; I421-P612 VanDerWaalsContact CD1-CG 3.46Å; M574-P612 HydrophobicContact CG-CG 3.95Å; M574-P612 HydrophobicContact SD-CG 3.63Å; Y610-P612 HydrophobicContact CE1-CG 3.85Å; P612-K715 PolarHBondContact O-NZ 3.32Å
613	L	92.9	Very high	91.5	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-18.2	178.9	-70	168.7	0	0	0	113.3	L418 I421 L422 M574 F583 D611 L615 A713 S714	L418-L613 HydrophobicContact CD1-CD2 3.63Å; L418-L613 HydrophobicContact CD1-CG 4.38Å; I421-L613 HydrophobicContact CG2-CD1 3.78Å; I421-L613 HydrophobicContact CG2-CD2 3.97Å; I421-L613 HydrophobicContact CG2-CG 3.89Å; L422-L613 HydrophobicContact CD2-CD2 3.72Å; L422-L613 HydrophobicContact CG-CD2 4.15Å; M574-L613 HydrophobicContact CE-CD1 3.96Å; M574-L613 HydrophobicContact SD-CD1 4.03Å; M574-L613 HydrophobicContact SD-CG 4.43Å; F583-L613 HydrophobicContact CE2-CD1 4.44Å; D611-L613 VanDerWaalsContact C-N 3.26Å; D611-L613 PolarHBondContact O-N 3.19Å; L613-L615 HydrophobicContact CB-CD1 4.36Å; L613-L615 HydrophobicContact CB-CD2 4.05Å; L613-L615 HydrophobicContact CB-CG 3.84Å; L613-L615 HydrophobicContact CD1-CD1 4.1Å; L613-L615 HydrophobicContact CD1-CG 4.41Å; L613-A713 CarbonylContact O-C 3.56Å; L613-A713 WeakPolarHBondContact O-CA 3.5Å; L613-S714 PolarHBondContact O-N 3.27Å
614	G	94.1	Very high	91.7	Very high	5 Å²	5	27.4 Å²	27.4	5%	0.052	15%	0.152	C	C	.	.			trans	77.2	29.2	-176	0	0	0	0	0	113.7	D611 L616 T617 S714	D611-G614 PolarHBondContact O-N 2.83Å; D611-G614 PolarHBondContact OD1-N 2.74Å; D611-G614 WeakPolarHBondContact OD2-CA 3.36Å; G614-L616 VanDerWaalsContact C-N 3.3Å; G614-L616 PolarHBondContact O-N 2.86Å; G614-T617 WeakPolarHBondContact CA-OG1 3.4Å; G614-T617 VanDerWaalsContact O-CB 3.31Å; G614-T617 WeakPolarHBondContact O-CB 3.42Å; G614-T617 PolarHBondContact O-N 2.87Å; G614-T617 PolarHBondContact O-OG1 3.29Å; G614-S714 PolarHBondContact O-OG 2.99Å
615	L	93.9	Very high	91.9	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-32	179.2	-55.9	177.3	0	0	0	112.7	M574 F585 D611 L613 T617 L664 I711 W823 W824	M574-L615 HydrophobicContact CE-CD1 4.14Å; F585-L615 HydrophobicContact CZ-CB 4.2Å; F585-L615 HydrophobicContact CZ-CD1 4.16Å; D611-L615 PolarHBondContact OD1-N 2.9Å; D611-L615 PolarHBondContact OD2-N 3.14Å; L613-L615 HydrophobicContact CB-CD1 4.36Å; L613-L615 HydrophobicContact CB-CD2 4.05Å; L613-L615 HydrophobicContact CB-CG 3.84Å; L613-L615 HydrophobicContact CD1-CD1 4.1Å; L613-L615 HydrophobicContact CD1-CG 4.41Å; L615-T617 VanDerWaalsContact C-N 3.34Å; L615-L664 HydrophobicContact CD1-CB 4.39Å; L615-L664 HydrophobicContact CD1-CD2 3.34Å; L615-L664 HydrophobicContact CD1-CG 4.49Å; L615-L664 HydrophobicContact CD2-CD2 3.44Å; L615-L664 VanDerWaalsContact CD2-CD2 3.44Å; L615-L664 HydrophobicContact CG-CD2 3.98Å; L615-I711 HydrophobicContact CD2-CD1 4.34Å; L615-I711 HydrophobicContact CD2-CG1 4.48Å; L615-I711 HydrophobicContact CD2-CG2 4.12Å; L615-W823 PolarHBondContact O-NE1 2.69Å; L615-W824 HydrophobicContact CB-CH2 4.25Å; L615-W824 HydrophobicContact CB-CZ3 4.1Å; L615-W824 HydrophobicContact CD2-CZ3 4.47Å
616	L	95.1	Very high	92.1	Very high	1 Å²	1	25.3 Å²	25.3	1%	0.005	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.6	11.1	178.3	-58.1	179.4	0	0	0	112.2	F585 D611 G614 P618 S619 T620 L659 V662 L814 L817	F585-L616 HydrophobicContact CD1-CD1 3.65Å; F585-L616 HydrophobicContact CD1-CG 4.41Å; F585-L616 HydrophobicContact CD2-CD1 4.15Å; F585-L616 HydrophobicContact CD2-CD2 4.11Å; F585-L616 HydrophobicContact CD2-CG 4.32Å; F585-L616 HydrophobicContact CE1-CD1 3.63Å; F585-L616 HydrophobicContact CE1-CG 4.01Å; F585-L616 HydrophobicContact CE2-CD1 4.13Å; F585-L616 HydrophobicContact CE2-CD2 3.88Å; F585-L616 HydrophobicContact CE2-CG 3.9Å; F585-L616 HydrophobicContact CG-CD1 3.91Å; F585-L616 HydrophobicContact CZ-CD1 3.88Å; F585-L616 HydrophobicContact CZ-CD2 4.24Å; F585-L616 HydrophobicContact CZ-CG 3.73Å; D611-L616 HydrophobicContact CB-CB 4.48Å; D611-L616 HydrophobicContact CB-CD1 4.46Å; D611-L616 WeakPolarHBondContact OD2-CA 3.05Å; D611-L616 WeakPolarHBondContact OD2-CB 3.13Å; D611-L616 PolarHBondContact OD2-N 2.87Å; G614-L616 VanDerWaalsContact C-N 3.3Å; G614-L616 PolarHBondContact O-N 2.86Å; L616-P618 VanDerWaalsContact C-CD 3.47Å; L616-P618 VanDerWaalsContact C-N 3.3Å; L616-S619 CarbonylContact O-C 3.56Å; L616-S619 WeakPolarHBondContact O-CA 3.36Å; L616-S619 PolarHBondContact O-N 2.73Å; L616-T620 HydrophobicContact CB-CG2 4Å; L616-T620 WeakPolarHBondContact O-CG2 3.28Å; L616-T620 PolarHBondContact O-N 2.56Å; L616-T620 PolarHBondContact O-OG1 3.22Å; L616-L659 HydrophobicContact CD1-CD2 3.65Å; L616-L659 HydrophobicContact CD2-CD2 4.17Å; L616-V662 HydrophobicContact CD2-CB 4.37Å; L616-V662 HydrophobicContact CD2-CG1 3.95Å; L616-V662 HydrophobicContact CD2-CG2 4.14Å; L616-L814 HydrophobicContact CD2-CD1 4.16Å; L616-L817 HydrophobicContact CD2-CD2 4.39Å
617	T	95.4	Very high	92.2	Very high	5 Å²	5	24.7 Å²	24.7	3%	0.031	13%	0.128	C	C	.	.	H	α-helix	trans	-46.8	-44.7	-179.5	-74.6	0	0	0	0	113.7	G614 L615 S619 T620 I621 S714 S716 A808 W823	G614-T617 WeakPolarHBondContact CA-OG1 3.4Å; G614-T617 VanDerWaalsContact O-CB 3.31Å; G614-T617 WeakPolarHBondContact O-CB 3.42Å; G614-T617 PolarHBondContact O-N 2.87Å; G614-T617 PolarHBondContact O-OG1 3.29Å; L615-T617 VanDerWaalsContact C-N 3.34Å; T617-S619 VanDerWaalsContact C-N 3.28Å; T617-S619 PolarHBondContact O-N 3Å; T617-T620 WeakPolarHBondContact CA-OG1 3.26Å; T617-T620 PolarHBondContact O-N 2.75Å; T617-T620 PolarHBondContact O-OG1 2.87Å; T617-I621 WeakPolarHBondContact O-CB 3.36Å; T617-I621 WeakPolarHBondContact O-CG2 3.42Å; T617-I621 PolarHBondContact O-N 3.21Å; T617-S714 WeakPolarHBondContact CB-OG 3.49Å; T617-S714 PolarHBondContact OG1-OG 3.49Å; T617-S716 WeakPolarHBondContact CG2-OG 3.43Å; T617-A808 HydrophobicContact CG2-CB 3.55Å; T617-W823 HydrophobicContact CG2-CH2 4.27Å
618	P	96.6	Very high	92.4	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-62.5	-31.8	177.2	-27	37.4	0	0	0	114	L616 Y807 G811 L812 L817 W823	L616-P618 VanDerWaalsContact C-CD 3.47Å; L616-P618 VanDerWaalsContact C-N 3.3Å; P618-Y807 VanDerWaalsContact CA-O 3.27Å; P618-Y807 WeakPolarHBondContact CA-O 3.45Å; P618-Y807 VanDerWaalsContact CB-O 3.31Å; P618-Y807 WeakPolarHBondContact CB-O 3.45Å; P618-G811 CarbonylContact O-C 3.58Å; P618-G811 WeakPolarHBondContact O-CA 3.38Å; P618-L812 HydrophobicContact CB-CB 3.74Å; P618-L812 PolarHBondContact O-N 3.32Å; P618-L817 HydrophobicContact CB-CD1 3.99Å; P618-L817 HydrophobicContact CB-CD2 4.37Å; P618-L817 HydrophobicContact CG-CD1 3.8Å; P618-W823 HydrophobicContact CG-CD2 3.59Å; P618-W823 HydrophobicContact CG-CE3 3.76Å; P618-W823 HydrophobicContact CG-CG 4.26Å; P618-W823 HydrophobicContact CG-CH2 3.82Å; P618-W823 HydrophobicContact CG-CZ2 3.66Å; P618-W823 HydrophobicContact CG-CZ3 3.86Å
619	S	94.8	Very high	92.5	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-81	-44.6	175.1	-176.8	0	0	0	0	111.4	L616 T617 I621 R622 W652	L616-S619 CarbonylContact O-C 3.56Å; L616-S619 WeakPolarHBondContact O-CA 3.36Å; L616-S619 PolarHBondContact O-N 2.73Å; T617-S619 VanDerWaalsContact C-N 3.28Å; T617-S619 PolarHBondContact O-N 3Å; S619-I621 PolarHBondContact O-N 2.81Å; S619-R622 PolarHBondContact O-N 2.7Å; S619-W652 PolarHBondContact O-NE1 2.73Å
620	T	92.9	Very high	92.6	Very high	20 Å²	20	19.3 Å²	19.3	12%	0.123	9%	0.087	C	C	.	.	H	α-helix	trans	-72.2	-29.4	-174.7	60.1	0	0	0	0	113	L609 L616 T617 R622 A623 K624	L609-T620 HydrophobicContact CB-CG2 4.38Å; L609-T620 HydrophobicContact CD1-CG2 3.88Å; L616-T620 HydrophobicContact CB-CG2 4Å; L616-T620 WeakPolarHBondContact O-CG2 3.28Å; L616-T620 PolarHBondContact O-N 2.56Å; L616-T620 PolarHBondContact O-OG1 3.22Å; T617-T620 WeakPolarHBondContact CA-OG1 3.26Å; T617-T620 PolarHBondContact O-N 2.75Å; T617-T620 PolarHBondContact O-OG1 2.87Å; T620-R622 VanDerWaalsContact C-N 3.27Å; T620-R622 PolarHBondContact O-N 3.01Å; T620-A623 PolarHBondContact O-N 2.68Å; T620-K624 WeakPolarHBondContact O-CG 3.5Å; T620-K624 PolarHBondContact O-N 3.19Å; T620-K624 VanDerWaalsContact O-N 3.12Å
621	I	94.1	Very high	92.5	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-62	-35.8	177.3	-167.4	57.5	0	0	0	111.8	T617 S619 A623 K624 I625 A691 V718	T617-I621 WeakPolarHBondContact O-CB 3.36Å; T617-I621 WeakPolarHBondContact O-CG2 3.42Å; T617-I621 PolarHBondContact O-N 3.21Å; S619-I621 PolarHBondContact O-N 2.81Å; I621-A623 VanDerWaalsContact C-N 3.33Å; I621-A623 PolarHBondContact O-N 3.35Å; I621-K624 HydrophobicContact CD1-CB 4.32Å; I621-K624 HydrophobicContact CD1-CD 4.06Å; I621-K624 PolarHBondContact O-N 2.6Å; I621-K624 VanDerWaalsContact O-N 3.1Å; I621-I625 HydrophobicContact CG1-CD1 4.01Å; I621-I625 HydrophobicContact CG1-CG1 4.35Å; I621-I625 WeakPolarHBondContact O-CG1 3.23Å; I621-I625 PolarHBondContact O-N 3.02Å; I621-A691 HydrophobicContact CD1-CB 3.72Å; I621-A691 HydrophobicContact CG1-CB 3.77Å; I621-V718 HydrophobicContact CD1-CG2 4.11Å
622	R	95.1	Very high	92.3	Very high	53 Å²	53	20.5 Å²	20.5	20%	0.2	9%	0.094	C	C	.	.	H	α-helix	trans	-58.7	-44	175	-67.9	169.8	56.9	-142.1	2.3	111.6	S619 T620 I625 L626 E655 L812	S619-R622 PolarHBondContact O-N 2.7Å; T620-R622 VanDerWaalsContact C-N 3.27Å; T620-R622 PolarHBondContact O-N 3.01Å; R622-I625 PolarHBondContact O-N 3.31Å; R622-L626 WeakPolarHBondContact O-CB 3.12Å; R622-L626 VanDerWaalsContact O-CG 3.25Å; R622-L626 WeakPolarHBondContact O-CG 3.29Å; R622-L626 PolarHBondContact O-N 3.01Å; R622-E655 IonicContact CZ-OE1 2.71Å; R622-E655 IonicContact CZ-OE2 3.41Å; R622-E655 IonicContact NH1-OE1 3.87Å; R622-E655 PolarHBondContact NH1-OE1 2.88Å; R622-E655 IonicContact NH1-OE2 3.29Å; R622-E655 PolarHBondContact NH1-OE2 3.49Å; R622-E655 IonicContact NH2-OE1 3.49Å; R622-E655 PolarHBondContact NH2-OE1 3.34Å; R622-E655 IonicContact NH2-OE2 3.38Å; R622-L812 WeakPolarHBondContact CD-O 3.42Å; R622-L812 PolarHBondContact NH1-O 3.17Å
623	A	92.4	Very high	92.2	Very high	2 Å²	2	22.4 Å²	22.4	2%	0.017	11%	0.107	C	C	.	.	H	α-helix	trans	-65.7	-38.6	175.4	0	0	0	0	0	112.7	A606 T620 I621 L626 F627 W652	A606-A623 HydrophobicContact CB-CB 3.97Å; T620-A623 PolarHBondContact O-N 2.68Å; I621-A623 VanDerWaalsContact C-N 3.33Å; I621-A623 PolarHBondContact O-N 3.35Å; A623-L626 PolarHBondContact O-N 3.31Å; A623-F627 WeakPolarHBondContact O-CB 3.36Å; A623-F627 PolarHBondContact O-N 3.02Å; A623-W652 HydrophobicContact CB-CD2 4.07Å; A623-W652 HydrophobicContact CB-CE3 4.36Å; A623-W652 HydrophobicContact CB-CH2 3.89Å; A623-W652 HydrophobicContact CB-CZ2 3.53Å; A623-W652 HydrophobicContact CB-CZ3 4.27Å
624	K	91.4	Very high	91.8	Very high	59 Å²	59	25.3 Å²	25.3	26%	0.257	14%	0.137	S	C	.	.	H	α-helix	trans	-65.1	-40.9	176.5	-62.2	174.6	-178.1	171.2	0	111.7	T620 I621 F627 Q628 S716 V718	T620-K624 WeakPolarHBondContact O-CG 3.5Å; T620-K624 PolarHBondContact O-N 3.19Å; T620-K624 VanDerWaalsContact O-N 3.12Å; I621-K624 HydrophobicContact CD1-CB 4.32Å; I621-K624 HydrophobicContact CD1-CD 4.06Å; I621-K624 PolarHBondContact O-N 2.6Å; I621-K624 VanDerWaalsContact O-N 3.1Å; K624-F627 WeakPolarHBondContact O-CB 3.4Å; K624-F627 PolarHBondContact O-N 3.04Å; K624-Q628 PolarHBondContact O-N 3.2Å; K624-S716 PolarHBondContact NZ-O 3.3Å; K624-V718 HydrophobicContact CB-CG2 3.38Å; K624-V718 HydrophobicContact CD-CG2 4.46Å
625	I	92.8	Very high	91.4	Very high	20 Å²	20	25.5 Å²	25.5	10%	0.103	14%	0.138	C	C	.	.	H	α-helix	trans	-64	-46.8	174.9	-67.6	166.5	0	0	0	110.3	I621 R622 F627 Q628 R629 D690 A691 V718	I621-I625 HydrophobicContact CG1-CD1 4.01Å; I621-I625 HydrophobicContact CG1-CG1 4.35Å; I621-I625 WeakPolarHBondContact O-CG1 3.23Å; I621-I625 PolarHBondContact O-N 3.02Å; R622-I625 PolarHBondContact O-N 3.31Å; I625-F627 VanDerWaalsContact C-N 3.28Å; I625-F627 PolarHBondContact O-N 2.69Å; I625-Q628 PolarHBondContact O-N 2.94Å; I625-Q628 VanDerWaalsContact O-N 3.11Å; I625-R629 PolarHBondContact O-N 2.96Å; I625-D690 HydrophobicContact CD1-CB 3.84Å; I625-D690 HydrophobicContact CG1-CB 4.17Å; I625-D690 HydrophobicContact CG2-CB 4.44Å; I625-A691 HydrophobicContact CD1-CB 4.36Å; I625-V718 HydrophobicContact CG1-CG1 4.41Å; I625-V718 HydrophobicContact CG1-CG2 4.47Å
626	L	92.5	Very high	91	Very high	4 Å²	4	28 Å²	28	2%	0.021	16%	0.159	C	C	.	.	H	α-helix	trans	-59	-39.7	175.9	-71.7	171.9	0	0	0	112.3	L602 R622 A623 R629 T630 I645 E648 W649	L602-L626 HydrophobicContact CD1-CB 4.03Å; R622-L626 WeakPolarHBondContact O-CB 3.12Å; R622-L626 VanDerWaalsContact O-CG 3.25Å; R622-L626 WeakPolarHBondContact O-CG 3.29Å; R622-L626 PolarHBondContact O-N 3.01Å; A623-L626 PolarHBondContact O-N 3.31Å; L626-R629 PolarHBondContact O-N 3.07Å; L626-T630 WeakPolarHBondContact O-CB 3.24Å; L626-T630 PolarHBondContact O-N 3.18Å; L626-T630 PolarHBondContact O-OG1 2.8Å; L626-I645 HydrophobicContact CD2-CG2 4.27Å; L626-E648 HydrophobicContact CD1-CB 4.1Å; L626-E648 HydrophobicContact CD2-CB 3.53Å; L626-E648 HydrophobicContact CD2-CG 4.36Å; L626-E648 HydrophobicContact CG-CB 4.43Å; L626-W649 HydrophobicContact CD1-CB 4.36Å
627	F	90.1	Very high	90.6	Very high	15 Å²	15	30.1 Å²	30.1	7%	0.066	17%	0.167	C	C	.	.	H	α-helix	trans	-61.9	-44.7	174.8	178.3	-131	0	0	0	111.7	L266 W270 K599 L602 V603 A623 K624 I625 T630 W631 W637	L266-F627 HydrophobicContact CD1-CZ 4.2Å; L266-F627 HydrophobicContact CD2-CE1 4.22Å; L266-F627 HydrophobicContact CD2-CZ 4.29Å; W270-F627 HydrophobicContact CH2-CD1 4.38Å; W270-F627 HydrophobicContact CH2-CE1 4.13Å; W270-F627 AromaticContact CZ2-CD1 3.49Å; W270-F627 HydrophobicContact CZ2-CD1 3.49Å; W270-F627 VanDerWaalsContact CZ2-CD1 3.49Å; W270-F627 AromaticContact CZ2-CE1 3.43Å; W270-F627 HydrophobicContact CZ2-CE1 3.43Å; W270-F627 VanDerWaalsContact CZ2-CE1 3.43Å; W270-F627 HydrophobicContact CZ2-CG 4.31Å; W270-F627 HydrophobicContact CZ2-CZ 4.23Å; K599-F627 HydrophobicContact CD-CE2 4.12Å; K599-F627 HydrophobicContact CG-CD2 4.23Å; K599-F627 HydrophobicContact CG-CE2 3.81Å; L602-F627 HydrophobicContact CD2-CB 3.66Å; L602-F627 HydrophobicContact CD2-CD2 4.44Å; L602-F627 HydrophobicContact CD2-CG 4.39Å; V603-F627 HydrophobicContact CG2-CD1 4.18Å; V603-F627 HydrophobicContact CG2-CD2 3.25Å; V603-F627 HydrophobicContact CG2-CE1 4.15Å; V603-F627 HydrophobicContact CG2-CE2 3.21Å; V603-F627 HydrophobicContact CG2-CG 3.79Å; V603-F627 HydrophobicContact CG2-CZ 3.7Å; A623-F627 WeakPolarHBondContact O-CB 3.36Å; A623-F627 PolarHBondContact O-N 3.02Å; K624-F627 WeakPolarHBondContact O-CB 3.4Å; K624-F627 PolarHBondContact O-N 3.04Å; I625-F627 VanDerWaalsContact C-N 3.28Å; I625-F627 PolarHBondContact O-N 2.69Å; F627-T630 WeakPolarHBondContact O-CB 3.25Å; F627-T630 PolarHBondContact O-N 3.37Å; F627-W631 HydrophobicContact CE2-CE3 4.16Å; F627-W631 HydrophobicContact CZ-CE3 4.02Å; F627-W631 HydrophobicContact CZ-CZ3 4.26Å; F627-W631 PolarHBondContact O-N 3.45Å; F627-W637 HydrophobicContact CE2-CH2 4.38Å; F627-W637 HydrophobicContact CZ-CH2 4.35Å
628	Q	89.6	Confident	90.2	Very high	12 Å²	12	34.8 Å²	34.8	6%	0.056	19%	0.191	C	C	.	.	H	α-helix	trans	-64.3	-42.2	177.3	-169.2	-174.9	80	0	0	112.2	W270 K624 I625 T630 W631 Q632 V718 A719 L721	W270-Q628 HydrophobicContact CE3-CG 4.35Å; W270-Q628 HydrophobicContact CH2-CB 4.1Å; W270-Q628 HydrophobicContact CH2-CG 3.98Å; W270-Q628 HydrophobicContact CZ2-CB 3.94Å; W270-Q628 HydrophobicContact CZ2-CG 4.16Å; W270-Q628 HydrophobicContact CZ3-CG 4.07Å; K624-Q628 PolarHBondContact O-N 3.2Å; I625-Q628 PolarHBondContact O-N 2.94Å; I625-Q628 VanDerWaalsContact O-N 3.11Å; Q628-T630 VanDerWaalsContact C-N 3.34Å; Q628-T630 PolarHBondContact O-N 2.81Å; Q628-W631 WeakPolarHBondContact O-CA 3.37Å; Q628-W631 VanDerWaalsContact O-CB 3.24Å; Q628-W631 WeakPolarHBondContact O-CB 3.24Å; Q628-W631 PolarHBondContact O-N 2.7Å; Q628-W631 VanDerWaalsContact O-N 3.12Å; Q628-Q632 WeakPolarHBondContact O-CG 3.41Å; Q628-Q632 PolarHBondContact O-N 2.59Å; Q628-V718 HydrophobicContact CB-CG1 4.04Å; Q628-V718 HydrophobicContact CG-CG1 4.3Å; Q628-V718 VanDerWaalsContact NE2-CG1 3.29Å; Q628-A719 PolarHBondContact NE2-O 3.19Å; Q628-L721 HydrophobicContact CG-CD2 3.53Å; Q628-L721 HydrophobicContact CG-CG 4.45Å
629	R	91.4	Very high	89.8	Confident	70 Å²	70	39.8 Å²	39.8	26%	0.264	21%	0.214	S	C	.	.	H	α-helix	trans	-60.7	-43.4	173.8	-76	176.5	57.8	-165.1	-5.7	111.9	I625 L626 W631 Q632 S633 D644 I645 E648	I625-R629 PolarHBondContact O-N 2.96Å; L626-R629 PolarHBondContact O-N 3.07Å; R629-W631 PolarHBondContact O-N 2.87Å; R629-Q632 PolarHBondContact O-N 3.07Å; R629-S633 PolarHBondContact O-N 2.85Å; R629-D644 IonicContact CZ-OD2 3.61Å; R629-D644 IonicContact NH2-OD2 3.62Å; R629-D644 PolarHBondContact NH2-OD2 3.33Å; R629-I645 HydrophobicContact CB-CD1 3.92Å; R629-E648 IonicContact CZ-OE1 2.7Å; R629-E648 VanDerWaalsContact NH1-CD 3.3Å; R629-E648 IonicContact NH1-OE1 3.84Å; R629-E648 PolarHBondContact NH1-OE1 3.42Å; R629-E648 IonicContact NH1-OE2 3.63Å; R629-E648 PolarHBondContact NH1-OE2 3.21Å; R629-E648 VanDerWaalsContact NH1-OE2 3.15Å; R629-E648 IonicContact NH2-OE1 2.69Å; R629-E648 PolarHBondContact NH2-OE1 2.82Å
630	T	89.5	Confident	89.6	Confident	0 Å²	0	43.4 Å²	43.4	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-59.2	-38	175.2	-53.1	0	0	0	0	110.7	K599 L626 F627 Q628 S633 T635 L641 I645	K599-T630 HydrophobicContact CB-CG2 3.94Å; K599-T630 HydrophobicContact CG-CG2 4.1Å; L626-T630 WeakPolarHBondContact O-CB 3.24Å; L626-T630 PolarHBondContact O-N 3.18Å; L626-T630 PolarHBondContact O-OG1 2.8Å; F627-T630 WeakPolarHBondContact O-CB 3.25Å; F627-T630 PolarHBondContact O-N 3.37Å; Q628-T630 VanDerWaalsContact C-N 3.34Å; Q628-T630 PolarHBondContact O-N 2.81Å; T630-S633 PolarHBondContact O-OG 2.76Å; T630-T635 HydrophobicContact CG2-CG2 4.45Å; T630-L641 HydrophobicContact CG2-CD2 3.31Å; T630-I645 VanDerWaalsContact CA-CD1 3.49Å; T630-I645 WeakPolarHBondContact OG1-CG2 3.42Å
631	W	86.7	Confident	89.5	Confident	31 Å²	31	42.8 Å²	42.8	12%	0.117	23%	0.233	C	C	.	.	H	α-helix	trans	-66.6	-46.5	176.7	-167.9	-87.4	0	0	0	113.5	D263 L266 W270 K599 F627 Q628 R629 S633 G634 W637	D263-W631 HydrophobicContact CB-CH2 3.4Å; D263-W631 VanDerWaalsContact CB-CH2 3.4Å; D263-W631 HydrophobicContact CB-CZ2 3.68Å; D263-W631 VanDerWaalsContact OD1-CH2 3.31Å; D263-W631 WeakPolarHBondContact OD1-CH2 3.37Å; L266-W631 HydrophobicContact CD1-CZ3 4.33Å; W270-W631 HydrophobicContact CH2-CB 3.47Å; W270-W631 VanDerWaalsContact CH2-CB 3.47Å; W270-W631 AromaticContact CH2-CD2 3.91Å; W270-W631 HydrophobicContact CH2-CD2 3.91Å; W270-W631 HydrophobicContact CH2-CE3 4.34Å; W270-W631 AromaticContact CH2-CG 3.51Å; W270-W631 HydrophobicContact CH2-CG 3.51Å; W270-W631 HydrophobicContact CZ3-CB 3.94Å; W270-W631 AromaticContact CZ3-CD1 3.62Å; W270-W631 HydrophobicContact CZ3-CD2 4.06Å; W270-W631 AromaticContact CZ3-CG 3.59Å; W270-W631 HydrophobicContact CZ3-CG 3.59Å; K599-W631 HydrophobicContact CD-CE3 4.11Å; K599-W631 HydrophobicContact CD-CZ3 4.32Å; F627-W631 HydrophobicContact CE2-CE3 4.16Å; F627-W631 HydrophobicContact CZ-CE3 4.02Å; F627-W631 HydrophobicContact CZ-CZ3 4.26Å; F627-W631 PolarHBondContact O-N 3.45Å; Q628-W631 WeakPolarHBondContact O-CA 3.37Å; Q628-W631 VanDerWaalsContact O-CB 3.24Å; Q628-W631 WeakPolarHBondContact O-CB 3.24Å; Q628-W631 PolarHBondContact O-N 2.7Å; Q628-W631 VanDerWaalsContact O-N 3.12Å; R629-W631 PolarHBondContact O-N 2.87Å; W631-S633 PolarHBondContact O-N 3.41Å; W631-G634 PolarHBondContact O-N 2.86Å; W631-G634 VanDerWaalsContact O-N 3.15Å; W631-W637 HydrophobicContact CZ3-CZ2 4Å
632	Q	87.4	Confident	89.4	Confident	114 Å²	114	44.4 Å²	44.4	53%	0.533	24%	0.243	S	C	.	.	H	α-helix	trans	-61	-32.5	178.3	-70.8	171.4	-9	0	0	112.2	Q628 R629 G634 L721	Q628-Q632 WeakPolarHBondContact O-CG 3.41Å; Q628-Q632 PolarHBondContact O-N 2.59Å; R629-Q632 PolarHBondContact O-N 3.07Å; Q632-G634 PolarHBondContact O-N 3.02Å; Q632-L721 HydrophobicContact CG-CD2 3.54Å
633	S	88.1	Confident	89.1	Confident	59 Å²	59	49.2 Å²	49.2	41%	0.413	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-14.2	177.5	74.7	0	0	0	0	114.8	R629 T630 W631 T635	R629-S633 PolarHBondContact O-N 2.85Å; T630-S633 PolarHBondContact O-OG 2.76Å; W631-S633 PolarHBondContact O-N 3.41Å; S633-T635 VanDerWaalsContact C-N 3.28Å; S633-T635 PolarHBondContact O-N 3.15Å; S633-T635 PolarHBondContact OG-N 3.41Å; S633-T635 PolarHBondContact OG-OG1 2.75Å
634	G	84.9	Confident	89	Confident	61 Å²	61	52.3 Å²	52.3	63%	0.629	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.5	1.2	-176.3	0	0	0	0	0	115.4	W631 Q632 A636	W631-G634 PolarHBondContact O-N 2.86Å; W631-G634 VanDerWaalsContact O-N 3.15Å; Q632-G634 PolarHBondContact O-N 3.02Å; G634-A636 PolarHBondContact O-N 3.32Å
635	T	85.3	Confident	89	Confident	10 Å²	10	49.7 Å²	49.7	6%	0.061	27%	0.273	C	S	.	.			trans	-52.5	129.7	177.7	-57.1	0	0	0	0	111.6	K599 T630 S633 E639 T640 P642	K599-T635 WeakPolarHBondContact CE-O 3.43Å; K599-T635 PolarHBondContact NZ-O 3.36Å; T630-T635 HydrophobicContact CG2-CG2 4.45Å; S633-T635 VanDerWaalsContact C-N 3.28Å; S633-T635 PolarHBondContact O-N 3.15Å; S633-T635 PolarHBondContact OG-N 3.41Å; S633-T635 PolarHBondContact OG-OG1 2.75Å; T635-E639 HydrophobicContact CG2-CB 3.88Å; T635-E639 HydrophobicContact CG2-CG 4.05Å; T635-T640 WeakPolarHBondContact CG2-O 3.25Å; T635-P642 WeakPolarHBondContact OG1-CD 3.35Å; T635-P642 WeakPolarHBondContact OG1-CG 3.47Å
636	A	85.4	Confident	88.9	Confident	53 Å²	53	49.9 Å²	49.9	44%	0.438	28%	0.275	S	S	.	.			trans	-69.8	168.8	177.2	0	0	0	0	0	112.5	G634 D638 E639	G634-A636 PolarHBondContact O-N 3.32Å; A636-D638 VanDerWaalsContact C-N 3.33Å; A636-D638 PolarHBondContact O-N 2.91Å; A636-E639 HydrophobicContact CB-CB 3.93Å; A636-E639 PolarHBondContact N-OE2 2.94Å; A636-E639 PolarHBondContact O-N 3.49Å
637	W	85.5	Confident	88.9	Confident	45 Å²	45	57.7 Å²	57.7	17%	0.17	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-40.6	-174	-84.4	104.1	0	0	0	114.6	L262 D263 L266 T598 K599 R600 V603 F627 W631	L262-W637 HydrophobicContact CD2-CH2 3.93Å; L262-W637 HydrophobicContact CD2-CZ2 3.54Å; L262-W637 HydrophobicContact CG-CZ2 4.03Å; D263-W637 PolarHBondContact OD1-NE1 2.73Å; D263-W637 VanDerWaalsContact OD1-NE1 3.11Å; L266-W637 HydrophobicContact CD1-CH2 3.34Å; L266-W637 HydrophobicContact CD1-CZ2 3.3Å; T598-W637 WeakPolarHBondContact CB-O 3.44Å; T598-W637 PolarHBondContact OG1-O 2.73Å; K599-W637 HydrophobicContact CB-CE3 4.32Å; K599-W637 HydrophobicContact CD-CD2 4.1Å; K599-W637 HydrophobicContact CD-CE3 3.99Å; K599-W637 HydrophobicContact CD-CH2 4.42Å; K599-W637 HydrophobicContact CD-CZ3 4.16Å; K599-W637 HydrophobicContact CG-CD2 4.49Å; K599-W637 HydrophobicContact CG-CE3 3.88Å; K599-W637 HydrophobicContact CG-CZ3 3.92Å; K599-W637 PolarHBondContact N-O 2.75Å; R600-W637 HydrophobicContact CB-CE3 4.09Å; R600-W637 WeakPolarHBondContact CB-O 3.24Å; R600-W637 PolarHBondContact N-O 2.67Å; V603-W637 HydrophobicContact CG2-CZ3 4.27Å; F627-W637 HydrophobicContact CE2-CH2 4.38Å; F627-W637 HydrophobicContact CZ-CH2 4.35Å; W631-W637 HydrophobicContact CZ3-CZ2 4Å
638	D	87.4	Confident	89	Confident	102 Å²	102	60.9 Å²	60.9	55%	0.545	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.5	9.7	-175.5	-58.9	-61	0	0	0	112.1	R600 A636	R600-D638 IonicContact CZ-OD1 3.99Å; R600-D638 IonicContact CZ-OD2 3.14Å; R600-D638 IonicContact NE-OD1 3.67Å; R600-D638 PolarHBondContact NE-OD1 3.1Å; R600-D638 IonicContact NE-OD2 3.42Å; R600-D638 IonicContact NH2-OD1 3.32Å; R600-D638 IonicContact NH2-OD2 2.77Å; R600-D638 PolarHBondContact NH2-OD2 3.39Å; A636-D638 VanDerWaalsContact C-N 3.33Å; A636-D638 PolarHBondContact O-N 2.91Å
639	E	88.3	Confident	89.1	Confident	105 Å²	105	60.5 Å²	60.5	49%	0.491	32%	0.318	S	S	.	.	S	Bend	trans	-79.3	149.9	170.9	-175.8	176	-166.9	0	0	110.2	T598 T635 A636	T598-E639 WeakPolarHBondContact CA-O 3.12Å; T598-E639 WeakPolarHBondContact CB-O 3.3Å; T635-E639 HydrophobicContact CG2-CB 3.88Å; T635-E639 HydrophobicContact CG2-CG 4.05Å; A636-E639 HydrophobicContact CB-CB 3.93Å; A636-E639 PolarHBondContact N-OE2 2.94Å; A636-E639 PolarHBondContact O-N 3.49Å
640	T	90.9	Very high	89	Confident	77 Å²	77	63 Å²	63	47%	0.472	33%	0.327	S	S	.	.	B	Isolated β-bridge	trans	-63.2	138.3	177.3	-57.5	0	0	0	0	110.7	P596 G597 T635	P596-T640 HydrophobicContact CB-CG2 3.67Å; P596-T640 HydrophobicContact CG-CG2 3.85Å; G597-T640 WeakPolarHBondContact O-CA 3.47Å; T635-T640 WeakPolarHBondContact CG2-O 3.25Å
641	L	91.6	Very high	89.1	Confident	7 Å²	7	65.9 Å²	65.9	4%	0.037	35%	0.347	C	S	.	.	P	Polyproline II helix	trans	-61.6	148	177.9	-64.1	174.6	0	0	0	111.3	G597 L602 T630 I645 T646 W649	G597-L641 PolarHBondContact O-N 2.94Å; L602-L641 HydrophobicContact CD1-CD1 4.25Å; T630-L641 HydrophobicContact CG2-CD2 3.31Å; L641-I645 HydrophobicContact CB-CG2 4.48Å; L641-I645 HydrophobicContact CD1-CG2 4.35Å; L641-T646 WeakPolarHBondContact CB-OG1 3.45Å; L641-T646 PolarHBondContact O-OG1 3.38Å; L641-T646 VanDerWaalsContact O-OG1 3.05Å; L641-W649 HydrophobicContact CD1-CB 4.27Å; L641-W649 HydrophobicContact CD1-CD2 3.84Å; L641-W649 HydrophobicContact CD1-CE3 3.87Å; L641-W649 HydrophobicContact CD1-CG 4.04Å
642	P	91.1	Very high	89.4	Confident	33 Å²	33	64.4 Å²	64.4	21%	0.214	34%	0.342	C	S	.	.	P	Polyproline II helix	trans	-53.4	149.3	168.2	-26.8	36	0	0	0	111.8	T635 D644 I645 T646	T635-P642 WeakPolarHBondContact OG1-CD 3.35Å; T635-P642 WeakPolarHBondContact OG1-CG 3.47Å; P642-D644 VanDerWaalsContact C-N 3.32Å; P642-D644 VanDerWaalsContact CB-OD1 3.27Å; P642-D644 WeakPolarHBondContact CB-OD1 3.49Å; P642-D644 PolarHBondContact O-N 3.22Å; P642-I645 HydrophobicContact CB-CD1 4.35Å; P642-I645 HydrophobicContact CB-CG1 4.33Å; P642-I645 HydrophobicContact CG-CD1 4.07Å; P642-I645 PolarHBondContact O-N 3.28Å; P642-I645 VanDerWaalsContact O-N 3.15Å; P642-T646 WeakPolarHBondContact O-CB 3.12Å; P642-T646 PolarHBondContact O-N 2.95Å; P642-T646 PolarHBondContact O-OG1 3.04Å
643	E	89.5	Confident	89.6	Confident	154 Å²	154	59.7 Å²	59.7	72%	0.72	32%	0.319	S	S	*	.	H	α-helix	trans	-63.7	-34.1	-170.8	-171.6	176.5	-176.8	0	0	113.6	R647	E643-R647 PolarHBondContact O-N 3.2Å
644	D	88.7	Confident	89.7	Confident	68 Å²	68	60.8 Å²	60.8	36%	0.364	32%	0.32	S	S	.	.	H	α-helix	trans	-64	-45.8	174.1	64.8	-54.1	0	0	0	111.4	R629 P642	R629-D644 IonicContact CZ-OD2 3.61Å; R629-D644 IonicContact NH2-OD2 3.62Å; R629-D644 PolarHBondContact NH2-OD2 3.33Å; P642-D644 VanDerWaalsContact C-N 3.32Å; P642-D644 VanDerWaalsContact CB-OD1 3.27Å; P642-D644 WeakPolarHBondContact CB-OD1 3.49Å; P642-D644 PolarHBondContact O-N 3.22Å
645	I	92.2	Very high	90.1	Very high	3 Å²	3	59.1 Å²	59.1	2%	0.015	30%	0.295	C	S	.	.	H	α-helix	trans	-70	-39.4	179.2	-59.3	-176	0	0	0	111.2	L602 L626 R629 T630 L641 P642 R647 E648 W649	L602-I645 HydrophobicContact CD1-CG2 4.5Å; L626-I645 HydrophobicContact CD2-CG2 4.27Å; R629-I645 HydrophobicContact CB-CD1 3.92Å; T630-I645 VanDerWaalsContact CA-CD1 3.49Å; T630-I645 WeakPolarHBondContact OG1-CG2 3.42Å; L641-I645 HydrophobicContact CB-CG2 4.48Å; L641-I645 HydrophobicContact CD1-CG2 4.35Å; P642-I645 HydrophobicContact CB-CD1 4.35Å; P642-I645 HydrophobicContact CB-CG1 4.33Å; P642-I645 HydrophobicContact CG-CD1 4.07Å; P642-I645 PolarHBondContact O-N 3.28Å; P642-I645 VanDerWaalsContact O-N 3.15Å; I645-R647 VanDerWaalsContact C-N 3.29Å; I645-R647 PolarHBondContact O-N 3.24Å; I645-E648 PolarHBondContact O-N 3.16Å; I645-W649 VanDerWaalsContact O-CB 3.25Å; I645-W649 WeakPolarHBondContact O-CB 3.23Å; I645-W649 PolarHBondContact O-N 3.36Å
646	T	91.5	Very high	90.5	Very high	25 Å²	25	58.6 Å²	58.6	15%	0.153	29%	0.292	C	S	.	.	H	α-helix	trans	-56.7	-44	-178.3	-61.6	0	0	0	0	111.2	P596 L641 P642 W650	P596-T646 WeakPolarHBondContact O-CG2 3.09Å; L641-T646 WeakPolarHBondContact CB-OG1 3.45Å; L641-T646 PolarHBondContact O-OG1 3.38Å; L641-T646 VanDerWaalsContact O-OG1 3.05Å; P642-T646 WeakPolarHBondContact O-CB 3.12Å; P642-T646 PolarHBondContact O-N 2.95Å; P642-T646 PolarHBondContact O-OG1 3.04Å; T646-W650 VanDerWaalsContact O-CB 3.23Å; T646-W650 WeakPolarHBondContact O-CB 3.46Å; T646-W650 PolarHBondContact O-N 2.79Å
647	R	91.1	Very high	90.8	Very high	167 Å²	167	60.3 Å²	60.3	63%	0.63	30%	0.297	S	S	*	.	H	α-helix	trans	-64.6	-47.8	179.6	-73.3	-175.6	-74.5	159.2	-5.6	112.4	E643 I645 W650 S651	E643-R647 PolarHBondContact O-N 3.2Å; I645-R647 VanDerWaalsContact C-N 3.29Å; I645-R647 PolarHBondContact O-N 3.24Å; R647-W650 PolarHBondContact O-N 3.49Å; R647-S651 PolarHBondContact O-N 2.94Å
648	E	92.7	Very high	91.1	Very high	83 Å²	83	59 Å²	59	39%	0.388	30%	0.297	S	S	.	.	H	α-helix	trans	-66.1	-42	179.2	-67.7	-179.9	-120.7	0	0	111.9	L626 R629 I645 W650 S651 W652	L626-E648 HydrophobicContact CD1-CB 4.1Å; L626-E648 HydrophobicContact CD2-CB 3.53Å; L626-E648 HydrophobicContact CD2-CG 4.36Å; L626-E648 HydrophobicContact CG-CB 4.43Å; R629-E648 IonicContact CZ-OE1 2.7Å; R629-E648 VanDerWaalsContact NH1-CD 3.3Å; R629-E648 IonicContact NH1-OE1 3.84Å; R629-E648 PolarHBondContact NH1-OE1 3.42Å; R629-E648 IonicContact NH1-OE2 3.63Å; R629-E648 PolarHBondContact NH1-OE2 3.21Å; R629-E648 VanDerWaalsContact NH1-OE2 3.15Å; R629-E648 IonicContact NH2-OE1 2.69Å; R629-E648 PolarHBondContact NH2-OE1 2.82Å; I645-E648 PolarHBondContact O-N 3.16Å; E648-W650 VanDerWaalsContact C-N 3.34Å; E648-W650 PolarHBondContact O-N 2.7Å; E648-S651 PolarHBondContact O-N 3.47Å; E648-W652 WeakPolarHBondContact O-CB 3.47Å; E648-W652 PolarHBondContact O-N 3.23Å
649	W	91.4	Very high	91.4	Very high	4 Å²	4	54.2 Å²	54.2	2%	0.015	27%	0.271	C	S	.	.	H	α-helix	trans	-60.7	-43.6	174.4	171	63.8	0	0	0	111.6	E601 L602 L626 L641 I645 W652 R653	E601-W649 HydrophobicContact CB-CZ2 4.17Å; L602-W649 HydrophobicContact CD1-CB 4.44Å; L602-W649 HydrophobicContact CD1-CG 4.24Å; L602-W649 HydrophobicContact CG-CG 4.42Å; L626-W649 HydrophobicContact CD1-CB 4.36Å; L641-W649 HydrophobicContact CD1-CB 4.27Å; L641-W649 HydrophobicContact CD1-CD2 3.84Å; L641-W649 HydrophobicContact CD1-CE3 3.87Å; L641-W649 HydrophobicContact CD1-CG 4.04Å; I645-W649 VanDerWaalsContact O-CB 3.25Å; I645-W649 WeakPolarHBondContact O-CB 3.23Å; I645-W649 PolarHBondContact O-N 3.36Å; W649-W652 PolarHBondContact O-N 2.77Å; W649-R653 VanDerWaalsContact CH2-NH1 3.32Å; W649-R653 VanDerWaalsContact O-CB 3.25Å; W649-R653 WeakPolarHBondContact O-CB 3.33Å; W649-R653 PolarHBondContact O-N 3.3Å
650	W	89.8	Confident	91.7	Very high	122 Å²	122	52.1 Å²	52.1	46%	0.462	27%	0.266	S	S	.	.	H	α-helix	trans	-64.9	-46.1	179.2	-169.2	11.7	0	0	0	111.7	L593 T646 R647 E648 W652 R653 L654	L593-W650 HydrophobicContact CD2-CZ2 3.71Å; T646-W650 VanDerWaalsContact O-CB 3.23Å; T646-W650 WeakPolarHBondContact O-CB 3.46Å; T646-W650 PolarHBondContact O-N 2.79Å; R647-W650 PolarHBondContact O-N 3.49Å; E648-W650 VanDerWaalsContact C-N 3.34Å; E648-W650 PolarHBondContact O-N 2.7Å; W650-W652 PolarHBondContact O-N 3.32Å; W650-R653 PolarHBondContact O-N 3.42Å; W650-L654 HydrophobicContact CG-CD1 4.1Å; W650-L654 VanDerWaalsContact O-CD1 3.3Å; W650-L654 WeakPolarHBondContact O-CD1 3.32Å; W650-L654 PolarHBondContact O-N 3.33Å
651	S	91.5	Very high	91.8	Very high	60 Å²	60	54 Å²	54	42%	0.42	27%	0.273	S	S	.	.	H	α-helix	trans	-55.4	-53.4	173.6	-177.3	0	0	0	0	111	R647 E648 R653 L654 E655	R647-S651 PolarHBondContact O-N 2.94Å; E648-S651 PolarHBondContact O-N 3.47Å; S651-R653 VanDerWaalsContact C-N 3.27Å; S651-R653 PolarHBondContact O-N 3.48Å; S651-L654 PolarHBondContact O-N 3.15Å; S651-E655 VanDerWaalsContact O-CG 3.3Å; S651-E655 WeakPolarHBondContact O-CG 3.47Å; S651-E655 PolarHBondContact O-N 3.38Å; S651-E655 PolarHBondContact OG-OE1 3.31Å
652	W	93.4	Very high	92	Very high	1 Å²	1	53.7 Å²	53.7	0%	0.004	27%	0.271	C	S	.	.	H	α-helix	trans	-57.8	-40.3	179.6	179.3	87.4	0	0	0	112.2	M605 A606 L609 S619 A623 E648 W649 W650 E655 L656	M605-W652 HydrophobicContact CB-CZ3 4.36Å; M605-W652 HydrophobicContact CG-CH2 4.43Å; M605-W652 HydrophobicContact CG-CZ3 3.85Å; A606-W652 HydrophobicContact CB-CH2 4.31Å; L609-W652 HydrophobicContact CD1-CH2 3.73Å; L609-W652 HydrophobicContact CD1-CZ2 3.49Å; L609-W652 VanDerWaalsContact CD1-CZ2 3.49Å; S619-W652 PolarHBondContact O-NE1 2.73Å; A623-W652 HydrophobicContact CB-CD2 4.07Å; A623-W652 HydrophobicContact CB-CE3 4.36Å; A623-W652 HydrophobicContact CB-CH2 3.89Å; A623-W652 HydrophobicContact CB-CZ2 3.53Å; A623-W652 HydrophobicContact CB-CZ3 4.27Å; E648-W652 WeakPolarHBondContact O-CB 3.47Å; E648-W652 PolarHBondContact O-N 3.23Å; W649-W652 PolarHBondContact O-N 2.77Å; W650-W652 PolarHBondContact O-N 3.32Å; W652-E655 WeakPolarHBondContact O-CB 3.43Å; W652-E655 PolarHBondContact O-N 2.76Å; W652-L656 HydrophobicContact CE3-CD1 4.35Å; W652-L656 HydrophobicContact CH2-CD1 3.76Å; W652-L656 HydrophobicContact CH2-CD2 4.09Å; W652-L656 HydrophobicContact CH2-CG 4.37Å; W652-L656 HydrophobicContact CZ2-CD1 4.41Å; W652-L656 HydrophobicContact CZ2-CD2 3.89Å; W652-L656 HydrophobicContact CZ3-CD1 3.74Å; W652-L656 HydrophobicContact CZ3-CG 4.4Å
653	R	91.2	Very high	92.1	Very high	15 Å²	15	56.1 Å²	56.1	6%	0.057	29%	0.286	C	S	.	.	H	α-helix	trans	-67.5	-38.1	178.6	-175.7	176.5	172.2	-149.7	-4.1	112.8	G590 I591 T592 M605 W649 W650 S651 E655 L656	G590-R653 PolarHBondContact O-NH2 3.33Å; I591-R653 HydrophobicContact CG2-CG 4.29Å; T592-R653 PolarHBondContact O-NH1 2.89Å; T592-R653 PolarHBondContact O-NH2 2.88Å; M605-R653 HydrophobicContact CE-CG 4.45Å; M605-R653 HydrophobicContact CG-CG 4.5Å; W649-R653 VanDerWaalsContact CH2-NH1 3.32Å; W649-R653 VanDerWaalsContact O-CB 3.25Å; W649-R653 WeakPolarHBondContact O-CB 3.33Å; W649-R653 PolarHBondContact O-N 3.3Å; W650-R653 PolarHBondContact O-N 3.42Å; S651-R653 VanDerWaalsContact C-N 3.27Å; S651-R653 PolarHBondContact O-N 3.48Å; R653-E655 VanDerWaalsContact C-N 3.34Å; R653-L656 WeakPolarHBondContact O-CB 3.19Å; R653-L656 PolarHBondContact O-N 3.37Å
654	L	90.9	Very high	92.3	Very high	82 Å²	82	49.4 Å²	49.4	43%	0.429	26%	0.255	S	S	.	.	H	α-helix	trans	-65.1	-40.2	173.6	-97.7	92.6	0	0	0	111.7	L593 W650 S651 L656 T657	L593-L654 HydrophobicContact CD2-CD1 4.39Å; W650-L654 HydrophobicContact CG-CD1 4.1Å; W650-L654 VanDerWaalsContact O-CD1 3.3Å; W650-L654 WeakPolarHBondContact O-CD1 3.32Å; W650-L654 PolarHBondContact O-N 3.33Å; S651-L654 PolarHBondContact O-N 3.15Å; L654-L656 PolarHBondContact O-N 2.83Å; L654-L656 VanDerWaalsContact O-N 3.14Å; L654-T657 WeakPolarHBondContact O-CB 3.41Å; L654-T657 WeakPolarHBondContact O-CG2 3.11Å; L654-T657 PolarHBondContact O-N 2.91Å; L654-T657 VanDerWaalsContact O-N 3.08Å; L654-T657 PolarHBondContact O-OG1 3.12Å
655	E	93.3	Very high	92.6	Very high	25 Å²	25	48.1 Å²	48.1	12%	0.117	25%	0.253	C	S	.	.	H	α-helix	trans	-57.2	-30.4	-179.5	-69.9	167.6	-135.6	0	0	112.2	R622 S651 W652 R653 T657 A658 A813 L814	R622-E655 IonicContact CZ-OE1 2.71Å; R622-E655 IonicContact CZ-OE2 3.41Å; R622-E655 IonicContact NH1-OE1 3.87Å; R622-E655 PolarHBondContact NH1-OE1 2.88Å; R622-E655 IonicContact NH1-OE2 3.29Å; R622-E655 PolarHBondContact NH1-OE2 3.49Å; R622-E655 IonicContact NH2-OE1 3.49Å; R622-E655 PolarHBondContact NH2-OE1 3.34Å; R622-E655 IonicContact NH2-OE2 3.38Å; S651-E655 VanDerWaalsContact O-CG 3.3Å; S651-E655 WeakPolarHBondContact O-CG 3.47Å; S651-E655 PolarHBondContact O-N 3.38Å; S651-E655 PolarHBondContact OG-OE1 3.31Å; W652-E655 WeakPolarHBondContact O-CB 3.43Å; W652-E655 PolarHBondContact O-N 2.76Å; R653-E655 VanDerWaalsContact C-N 3.34Å; E655-T657 PolarHBondContact O-N 2.97Å; E655-A658 WeakPolarHBondContact O-CB 3.1Å; E655-A658 PolarHBondContact O-N 3.37Å; E655-A813 VanDerWaalsContact OE2-CA 3.23Å; E655-A813 WeakPolarHBondContact OE2-CA 3.46Å; E655-L814 HydrophobicContact CB-CB 3.94Å; E655-L814 WeakPolarHBondContact O-CD2 3.42Å; E655-L814 PolarHBondContact OE2-N 3.3Å
656	L	93.1	Very high	92.8	Very high	0 Å²	0	48 Å²	48	0%	0	25%	0.252	C	S	.	.	G	3₁₀ helix	trans	-59.5	-17.7	178.2	-56.5	-175	0	0	0	114.3	P588 I591 M605 L609 W652 R653 L654 A658 L659	P588-L656 HydrophobicContact CG-CD1 4.3Å; I591-L656 HydrophobicContact CD1-CB 4.04Å; M605-L656 HydrophobicContact CG-CD1 3.89Å; M605-L656 HydrophobicContact SD-CD1 4.14Å; L609-L656 HydrophobicContact CD1-CD2 3.87Å; L609-L656 HydrophobicContact CD2-CD1 4.46Å; L609-L656 HydrophobicContact CD2-CD2 4.21Å; W652-L656 HydrophobicContact CE3-CD1 4.35Å; W652-L656 HydrophobicContact CH2-CD1 3.76Å; W652-L656 HydrophobicContact CH2-CD2 4.09Å; W652-L656 HydrophobicContact CH2-CG 4.37Å; W652-L656 HydrophobicContact CZ2-CD1 4.41Å; W652-L656 HydrophobicContact CZ2-CD2 3.89Å; W652-L656 HydrophobicContact CZ3-CD1 3.74Å; W652-L656 HydrophobicContact CZ3-CG 4.4Å; R653-L656 WeakPolarHBondContact O-CB 3.19Å; R653-L656 PolarHBondContact O-N 3.37Å; L654-L656 PolarHBondContact O-N 2.83Å; L654-L656 VanDerWaalsContact O-N 3.14Å; L656-A658 PolarHBondContact O-N 3.47Å; L656-L659 HydrophobicContact CB-CD1 3.97Å; L656-L659 HydrophobicContact CB-CG 4.44Å; L656-L659 HydrophobicContact CD2-CD1 4.2Å; L656-L659 HydrophobicContact CD2-CG 4.5Å; L656-L659 WeakPolarHBondContact O-CB 3.31Å; L656-L659 WeakPolarHBondContact O-CD1 3.45Å; L656-L659 VanDerWaalsContact O-CG 3.25Å; L656-L659 WeakPolarHBondContact O-CG 3.29Å; L656-L659 PolarHBondContact O-N 2.91Å
657	T	91.9	Very high	93	Very high	88 Å²	88	51.3 Å²	51.3	54%	0.54	26%	0.262	S	S	.	.	G	3₁₀ helix	trans	-63	-23.4	172	57.8	0	0	0	0	112.7	I591 L654 E655	I591-T657 HydrophobicContact CD1-CG2 4.33Å; I591-T657 HydrophobicContact CG2-CG2 4.19Å; L654-T657 WeakPolarHBondContact O-CB 3.41Å; L654-T657 WeakPolarHBondContact O-CG2 3.11Å; L654-T657 PolarHBondContact O-N 2.91Å; L654-T657 VanDerWaalsContact O-N 3.08Å; L654-T657 PolarHBondContact O-OG1 3.12Å; E655-T657 PolarHBondContact O-N 2.97Å
658	A	92.4	Very high	93.2	Very high	19 Å²	19	43.4 Å²	43.4	16%	0.157	23%	0.233	C	C	.	.	G	3₁₀ helix	trans	-88.3	3.1	177.5	0	0	0	0	0	114	E655 L656 P660 L661 L814	E655-A658 WeakPolarHBondContact O-CB 3.1Å; E655-A658 PolarHBondContact O-N 3.37Å; L656-A658 PolarHBondContact O-N 3.47Å; A658-P660 VanDerWaalsContact C-CD 3.43Å; A658-P660 VanDerWaalsContact C-N 3.35Å; A658-L661 HydrophobicContact CB-CD1 4.13Å; A658-L661 VanDerWaalsContact O-CB 3.27Å; A658-L661 WeakPolarHBondContact O-CB 3.27Å; A658-L661 PolarHBondContact O-N 3.29Å; A658-L814 HydrophobicContact CB-CD2 4.2Å
659	L	93.6	Very high	93.1	Very high	1 Å²	1	39.8 Å²	39.8	1%	0.005	22%	0.216	C	C	.	.	G	3₁₀ helix	trans	-52.2	-40.9	179.7	-81.2	167.6	0	0	0	114.9	F585 P588 L609 L616 L656 L661 V662 L814	F585-L659 HydrophobicContact CB-CB 4Å; F585-L659 HydrophobicContact CB-CD2 4.09Å; P588-L659 HydrophobicContact CG-CD1 4.25Å; L609-L659 HydrophobicContact CD2-CD1 3.55Å; L609-L659 HydrophobicContact CD2-CD2 4.44Å; L616-L659 HydrophobicContact CD1-CD2 3.65Å; L616-L659 HydrophobicContact CD2-CD2 4.17Å; L656-L659 HydrophobicContact CB-CD1 3.97Å; L656-L659 HydrophobicContact CB-CG 4.44Å; L656-L659 HydrophobicContact CD2-CD1 4.2Å; L656-L659 HydrophobicContact CD2-CG 4.5Å; L656-L659 WeakPolarHBondContact O-CB 3.31Å; L656-L659 WeakPolarHBondContact O-CD1 3.45Å; L656-L659 VanDerWaalsContact O-CG 3.25Å; L656-L659 WeakPolarHBondContact O-CG 3.29Å; L656-L659 PolarHBondContact O-N 2.91Å; L659-L661 PolarHBondContact O-N 2.99Å; L659-L661 VanDerWaalsContact O-N 3.13Å; L659-V662 WeakPolarHBondContact O-CB 3.36Å; L659-V662 PolarHBondContact O-N 2.86Å; L659-L814 HydrophobicContact CB-CD2 4.35Å; L659-L814 HydrophobicContact CD2-CD1 4.21Å; L659-L814 HydrophobicContact CD2-CD2 3.74Å; L659-L814 HydrophobicContact CG-CD2 3.7Å
660	P	93.2	Very high	92.9	Very high	61 Å²	61	42 Å²	42	40%	0.396	23%	0.23	S	C	.	.	G	3₁₀ helix	trans	-62.6	-19.2	178	-25	36	0	0	0	114.1	T584 V587 A658 V662	T584-P660 PolarHBondContact OG1-O 3.27Å; V587-P660 HydrophobicContact CG2-CG 3.7Å; A658-P660 VanDerWaalsContact C-CD 3.43Å; A658-P660 VanDerWaalsContact C-N 3.35Å; P660-V662 VanDerWaalsContact C-N 3.27Å
661	L	94.5	Very high	92.8	Very high	115 Å²	115	37.7 Å²	37.7	60%	0.602	22%	0.216	S	C	*	.	G	3₁₀ helix	trans	-77	-14.7	175.9	-55.2	179.4	0	0	0	112.7	A658 L659 T663 V818	A658-L661 HydrophobicContact CB-CD1 4.13Å; A658-L661 VanDerWaalsContact O-CB 3.27Å; A658-L661 WeakPolarHBondContact O-CB 3.27Å; A658-L661 PolarHBondContact O-N 3.29Å; L659-L661 PolarHBondContact O-N 2.99Å; L659-L661 VanDerWaalsContact O-N 3.13Å; L661-T663 PolarHBondContact O-N 3.24Å; L661-V818 HydrophobicContact CB-CG1 4.2Å; L661-V818 HydrophobicContact CB-CG2 4.02Å
662	V	94.5	Very high	92.6	Very high	2 Å²	2	43.1 Å²	43.1	1%	0.012	23%	0.227	C	C	.	.			trans	-79.7	109.5	173	179.5	0	0	0	0	108.1	T584 F585 L616 L659 P660 L814 V818 W824	T584-V662 PolarHBondContact OG1-O 3.15Å; F585-V662 HydrophobicContact CD2-CB 4.11Å; F585-V662 HydrophobicContact CD2-CG1 4.04Å; F585-V662 HydrophobicContact CE2-CB 4.48Å; F585-V662 HydrophobicContact CE2-CG1 3.9Å; L616-V662 HydrophobicContact CD2-CB 4.37Å; L616-V662 HydrophobicContact CD2-CG1 3.95Å; L616-V662 HydrophobicContact CD2-CG2 4.14Å; L659-V662 WeakPolarHBondContact O-CB 3.36Å; L659-V662 PolarHBondContact O-N 2.86Å; P660-V662 VanDerWaalsContact C-N 3.27Å; V662-L814 HydrophobicContact CG2-CD1 3.97Å; V662-L814 HydrophobicContact CG2-CG 4.37Å; V662-V818 HydrophobicContact CG2-CG2 3.61Å; V662-W824 HydrophobicContact CG1-CH2 3.5Å; V662-W824 VanDerWaalsContact CG1-CH2 3.5Å; V662-W824 HydrophobicContact CG1-CZ2 3.68Å
663	T	93.8	Very high	92.3	Very high	84 Å²	84	49.4 Å²	49.4	52%	0.515	25%	0.254	S	S	.	.			trans	-121.7	137.5	177.7	58.7	0	0	0	0	110.6	F583 L661	F583-T663 WeakPolarHBondContact O-CA 3.48Å; L661-T663 PolarHBondContact O-N 3.24Å
664	L	94	Very high	92.2	Very high	13 Å²	13	53.8 Å²	53.8	7%	0.068	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	133	175.6	177.3	71.4	0	0	0	110.6	N582 F583 L615 R666 I711 W824	N582-L664 CarbonylContact C-O 3.54Å; N582-L664 VanDerWaalsContact CA-O 3.24Å; N582-L664 WeakPolarHBondContact CA-O 3.39Å; F583-L664 PolarHBondContact N-O 2.82Å; F583-L664 PolarHBondContact O-N 2.9Å; L615-L664 HydrophobicContact CD1-CB 4.39Å; L615-L664 HydrophobicContact CD1-CD2 3.34Å; L615-L664 HydrophobicContact CD1-CG 4.49Å; L615-L664 HydrophobicContact CD2-CD2 3.44Å; L615-L664 VanDerWaalsContact CD2-CD2 3.44Å; L615-L664 HydrophobicContact CG-CD2 3.98Å; L664-R666 PolarHBondContact O-N 3.43Å; L664-I711 HydrophobicContact CD1-CG2 3.63Å; L664-I711 HydrophobicContact CD2-CG2 4.1Å; L664-W824 HydrophobicContact CB-CZ3 4.44Å; L664-W824 HydrophobicContact CD1-CE3 3.95Å; L664-W824 HydrophobicContact CD1-CZ3 4.28Å
665	A	94.7	Very high	92.3	Very high	40 Å²	40	53.1 Å²	53.1	33%	0.331	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.5	125.6	171.2	0	0	0	0	0	111	N582	N582-A665 WeakPolarHBondContact OD1-CA 3.48Å; N582-A665 PolarHBondContact OD1-N 2.83Å
666	R	96.1	Very high	92.3	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	27%	0.272	C	S	.	.	S	Bend	trans	-60.4	-55	175.6	178.5	-156.4	54.7	77.5	7.6	109	F424 R425 F427 P428 D581 F583 L664	F424-R666 HydrophobicContact CD1-CG 4.09Å; F424-R666 HydrophobicContact CE1-CG 3.93Å; F424-R666 PolarHBondContact O-NH1 3.28Å; R425-R666 WeakPolarHBondContact CA-O 3.41Å; R425-R666 WeakPolarHBondContact CB-O 3.26Å; R425-R666 HydrophobicContact CG-CG 4.12Å; R425-R666 WeakPolarHBondContact CG-O 3.22Å; R425-R666 PolarHBondContact NE-O 2.47Å; F427-R666 PolarHBondContact O-NH1 3.37Å; F427-R666 PolarHBondContact O-NH2 3.33Å; P428-R666 PolarHBondContact O-NH2 3.1Å; P428-R666 VanDerWaalsContact O-NH2 3.08Å; D581-R666 WeakPolarHBondContact O-CB 3.19Å; D581-R666 PolarHBondContact O-N 3.06Å; D581-R666 WeakPolarHBondContact OD1-CD 3.38Å; D581-R666 IonicContact OD1-CZ 2.66Å; D581-R666 IonicContact OD1-NE 3.68Å; D581-R666 PolarHBondContact OD1-NE 3.15Å; D581-R666 IonicContact OD1-NH2 3.24Å; D581-R666 IonicContact OD2-CZ 3.83Å; D581-R666 IonicContact OD2-NE 3.41Å; D581-R666 PolarHBondContact OD2-NE 2.77Å; D581-R666 IonicContact OD2-NH2 3.97Å; D581-R666 PolarHBondContact OD2-NH2 3.25Å; F583-R666 HydrophobicContact CD2-CB 4.43Å; F583-R666 HydrophobicContact CE1-CG 4.34Å; F583-R666 HydrophobicContact CE2-CB 4.07Å; F583-R666 HydrophobicContact CE2-CG 3.85Å; F583-R666 HydrophobicContact CZ-CB 4.24Å; F583-R666 HydrophobicContact CZ-CG 3.67Å; L664-R666 PolarHBondContact O-N 3.43Å
667	R	95.4	Very high	92.4	Very high	96 Å²	96	55 Å²	55	36%	0.362	29%	0.291	S	S	.	.			trans	-63.4	136	-178.1	68.3	-175.9	-177.7	-177.9	1.3	112.9	R425	R425-R667 CarbonylContact O-C 3.57Å; R425-R667 WeakPolarHBondContact O-CA 3.4Å
668	L	95	Very high	92.6	Very high	1 Å²	1	53 Å²	53	1%	0.005	28%	0.279	C	S	.	.	S	Bend	trans	-85.3	-32	176.5	-70.9	172.7	0	0	0	112.4	R425 P670 L698 V710 V712 M748	R425-L668 HydrophobicContact CB-CD1 4.06Å; R425-L668 HydrophobicContact CB-CG 3.91Å; R425-L668 VanDerWaalsContact NH2-CD2 3.34Å; R425-L668 WeakPolarHBondContact O-CG 3.08Å; R425-L668 PolarHBondContact O-N 2.82Å; L668-P670 WeakPolarHBondContact O-CD 3.32Å; L668-L698 HydrophobicContact CB-CD2 3.85Å; L668-V710 HydrophobicContact CD2-CG1 4.19Å; L668-V712 HydrophobicContact CD2-CG2 3.99Å; L668-M748 HydrophobicContact CD1-CE 3.44Å; L668-M748 VanDerWaalsContact CD1-CE 3.44Å; L668-M748 HydrophobicContact CD1-SD 3.95Å
669	I	92.5	Very high	92.7	Very high	7 Å²	7	53.5 Å²	53.5	4%	0.036	28%	0.277	C	S	.	.			trans	-105.1	104	179.1	-55.7	174.1	0	0	0	107.8	F427 M671 V676 K679 L698 T700 L750	F427-I669 HydrophobicContact CE1-CD1 4.45Å; I669-M671 VanDerWaalsContact C-N 3.27Å; I669-M671 HydrophobicContact CG2-CG 4.12Å; I669-M671 HydrophobicContact CG2-SD 3.7Å; I669-M671 PolarHBondContact O-N 2.93Å; I669-V676 HydrophobicContact CG2-CG2 3.76Å; I669-K679 HydrophobicContact CD1-CD 4.2Å; I669-L698 HydrophobicContact CG1-CD2 4.23Å; I669-T700 HydrophobicContact CG1-CG2 4.39Å; I669-L750 HydrophobicContact CD1-CD1 4.15Å; I669-L750 HydrophobicContact CD1-CD2 4.45Å
670	P	86.6	Confident	92.8	Very high	49 Å²	49	53.8 Å²	53.8	32%	0.318	28%	0.279	S	S	.	.			trans	-81.9	-0.4	-175	28.1	-29.7	0	0	0	114.4	L668 S708	L668-P670 WeakPolarHBondContact O-CD 3.32Å; P670-S708 WeakPolarHBondContact CG-OG 3.49Å
671	M	87.9	Confident	93	Very high	33 Å²	33	50.9 Å²	50.9	16%	0.163	26%	0.26	C	S	.	.	S	Bend	trans	-116.1	172.6	177	58	-75.4	-44	0	0	112	I669 D675 V676 T702	I669-M671 VanDerWaalsContact C-N 3.27Å; I669-M671 HydrophobicContact CG2-CG 4.12Å; I669-M671 HydrophobicContact CG2-SD 3.7Å; I669-M671 PolarHBondContact O-N 2.93Å; M671-D675 HydrophobicContact CB-CB 4.39Å; M671-D675 HydrophobicContact CG-CB 4.45Å; M671-V676 HydrophobicContact CG-CG2 3.55Å; M671-V676 HydrophobicContact SD-CG2 3.99Å; M671-T702 HydrophobicContact CE-CG2 3.94Å; M671-T702 HydrophobicContact CG-CG2 4.1Å; M671-T702 HydrophobicContact SD-CG2 4.47Å
672	R	87.5	Confident	93.2	Very high	173 Å²	173	45.4 Å²	45.4	65%	0.653	23%	0.231	S	C	*	.			trans	-67.6	150.6	174	-64	-177.1	178.2	-179.8	-1.4	110.8	E674 D675	R672-E674 PolarHBondContact O-N 3.35Å; R672-D675 PolarHBondContact O-N 3.07Å; R672-D675 VanDerWaalsContact O-N 3.07Å
673	K	86.2	Confident	93.4	Very high	133 Å²	133	45.3 Å²	45.3	58%	0.578	23%	0.231	S	C	*	.	G	3₁₀ helix	trans	-56.6	-42.1	-179.8	-176.2	-179	176.9	-177.2	0	110.9	D675 V676	K673-D675 PolarHBondContact O-N 3.38Å; K673-V676 PolarHBondContact O-N 2.85Å
674	E	89.8	Confident	93.6	Very high	108 Å²	108	41.3 Å²	41.3	51%	0.505	21%	0.206	S	C	.	.	G	3₁₀ helix	trans	-65.6	-22.8	-179.3	-40	85.1	-105.6	0	0	113.9	R672 K703	R672-E674 PolarHBondContact O-N 3.35Å; E674-K703 WeakPolarHBondContact O-CD 3.1Å; E674-K703 WeakPolarHBondContact O-CE 3.41Å; E674-K703 PolarHBondContact O-NZ 3.44Å
675	D	92.6	Very high	93.8	Very high	67 Å²	67	40.7 Å²	40.7	36%	0.358	20%	0.203	S	C	.	.	G	3₁₀ helix	trans	-86	-15.2	-178.3	-71.9	-36.6	0	0	0	112.8	M671 R672 K673 T702 K703	M671-D675 HydrophobicContact CB-CB 4.39Å; M671-D675 HydrophobicContact CG-CB 4.45Å; R672-D675 PolarHBondContact O-N 3.07Å; R672-D675 VanDerWaalsContact O-N 3.07Å; K673-D675 PolarHBondContact O-N 3.38Å; D675-T702 CarbonylContact O-C 3.56Å; D675-T702 WeakPolarHBondContact O-CA 3.42Å; D675-T702 WeakPolarHBondContact O-CB 3.39Å; D675-K703 PolarHBondContact O-N 2.58Å
676	V	93.3	Very high	93.9	Very high	16 Å²	16	38.9 Å²	38.9	10%	0.097	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	129.1	-178	-171.9	0	0	0	0	110.2	I669 M671 K673 T678 K679	I669-V676 HydrophobicContact CG2-CG2 3.76Å; M671-V676 HydrophobicContact CG-CG2 3.55Å; M671-V676 HydrophobicContact SD-CG2 3.99Å; K673-V676 PolarHBondContact O-N 2.85Å; V676-T678 WeakPolarHBondContact CG1-O 3.38Å; V676-K679 HydrophobicContact CG1-CG 3.92Å
677	A	94.7	Very high	94	Very high	50 Å²	50	39.2 Å²	39.2	41%	0.413	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	-48.3	172.3	0	0	0	0	0	111.7	T701 K703	A677-T701 WeakPolarHBondContact CA-O 3.21Å; A677-T701 WeakPolarHBondContact CB-O 3.31Å; A677-T701 PolarHBondContact N-O 2.84Å; A677-K703 HydrophobicContact CB-CG 4.11Å
678	T	95.2	Very high	93.9	Very high	45 Å²	45	35.3 Å²	35.3	28%	0.276	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	157.5	178.9	72.9	0	0	0	0	112.8	V676 T700 T701 D753	V676-T678 WeakPolarHBondContact CG1-O 3.38Å; T678-T700 WeakPolarHBondContact O-CA 3.46Å; T678-T701 PolarHBondContact N-O 3.36Å; T678-T701 PolarHBondContact O-N 3.13Å; T678-T701 VanDerWaalsContact OG1-CB 3.31Å; T678-T701 WeakPolarHBondContact OG1-CB 3.38Å; T678-T701 PolarHBondContact OG1-OG1 2.67Å; T678-T701 VanDerWaalsContact OG1-OG1 3.07Å; T678-D753 WeakPolarHBondContact CA-OD2 3.1Å
679	K	95.7	Very high	93.8	Very high	29 Å²	29	42.6 Å²	42.6	13%	0.126	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	111.1	175.1	-55.5	-171.2	-147.9	-51.1	0	109.4	I669 V676 L698 R699 T700 I752 D753	I669-K679 HydrophobicContact CD1-CD 4.2Å; V676-K679 HydrophobicContact CG1-CG 3.92Å; K679-L698 HydrophobicContact CB-CD1 4.24Å; K679-R699 CarbonylContact C-O 3.41Å; K679-R699 WeakPolarHBondContact CA-O 3.23Å; K679-T700 HydrophobicContact CG-CG2 4.31Å; K679-I752 HydrophobicContact CB-CD1 4.28Å; K679-D753 PolarHBondContact N-OD2 3.19Å; K679-D753 PolarHBondContact O-N 2.99Å
680	D	96.4	Very high	93.8	Very high	8 Å²	8	46.3 Å²	46.3	4%	0.043	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	136.7	-178.3	-41.6	-48.2	0	0	0	109.9	R699 A754	D680-R699 HydrophobicContact CB-CB 4.21Å; D680-R699 PolarHBondContact N-O 2.87Å; D680-R699 PolarHBondContact O-N 3.02Å; D680-R699 IonicContact OD2-NH1 3.35Å; D680-R699 PolarHBondContact OD2-NH1 3.39Å; D680-A754 CarbonylContact C-O 3.4Å; D680-A754 WeakPolarHBondContact CA-O 3.44Å; D680-A754 HydrophobicContact CB-CB 4.38Å
681	L	97.5	Very high	94.2	Very high	0 Å²	0	44 Å²	44	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	128.2	170.9	-70.6	176.4	0	0	0	109.9	V696 Y697 L698 V741 V744 K745 I752 A754 V755 H756	L681-V696 HydrophobicContact CD2-CG1 4.08Å; L681-Y697 WeakPolarHBondContact CA-O 3.28Å; L681-L698 HydrophobicContact CD2-CB 4.43Å; L681-L698 HydrophobicContact CD2-CD1 3.9Å; L681-V741 HydrophobicContact CB-CG2 4.05Å; L681-V741 HydrophobicContact CD1-CG2 4.08Å; L681-V744 HydrophobicContact CD1-CG1 4.26Å; L681-V744 HydrophobicContact CD2-CG1 4.29Å; L681-K745 HydrophobicContact CD1-CB 3.89Å; L681-K745 HydrophobicContact CD1-CG 4.42Å; L681-I752 HydrophobicContact CB-CG2 4.37Å; L681-I752 HydrophobicContact CD1-CD1 4.32Å; L681-I752 HydrophobicContact CD1-CG1 4.01Å; L681-I752 HydrophobicContact CD1-CG2 4.11Å; L681-I752 HydrophobicContact CD2-CD1 4.44Å; L681-I752 HydrophobicContact CG-CD1 4.06Å; L681-I752 HydrophobicContact CG-CG1 4.2Å; L681-I752 HydrophobicContact CG-CG2 3.9Å; L681-A754 PolarHBondContact N-O 3.2Å; L681-V755 HydrophobicContact CB-CG2 4.37Å; L681-V755 CarbonylContact O-C 3.54Å; L681-V755 WeakPolarHBondContact O-CA 3.49Å; L681-H756 PolarHBondContact O-N 3.12Å
682	H	97.6	Very high	94.6	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	120.3	173.8	-68.9	-111.3	0	0	0	109.6	F684 V696 Y697 R699 H756 W758 L830 W837	H682-F684 HydrophobicContact CB-CE2 4.1Å; H682-V696 CarbonylContact O-C 3.59Å; H682-V696 WeakPolarHBondContact O-CA 3.42Å; H682-Y697 PolarHBondContact N-O 3.21Å; H682-Y697 PolarHBondContact O-N 3.11Å; H682-R699 WeakPolarHBondContact NE2-CD 3.45Å; H682-H756 CarbonylContact C-O 3.56Å; H682-H756 WeakPolarHBondContact CA-O 3.09Å; H682-H756 AromaticContact CE1-CD2 3.51Å; H682-H756 AromaticContact CE1-CG 3.88Å; H682-H756 AromaticContact NE2-CD2 3.55Å; H682-W758 AromaticContact CG-NE1 3.98Å; H682-W758 AromaticContact ND1-CE2 3.88Å; H682-W758 AromaticContact ND1-CZ2 4Å; H682-W758 AromaticContact ND1-NE1 3.22Å; H682-W758 PolarHBondContact ND1-NE1 2.87Å; H682-L830 HydrophobicContact CB-CD1 4.48Å; H682-L830 WeakPolarHBondContact ND1-CD1 3.38Å; H682-W837 AromaticContact CE1-CH2 3.98Å
683	V	97.9	Very high	95	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	126.3	174.3	63	0	0	0	0	110.5	T685 A694 V695 V696 V741 H756 C757 W758	V683-T685 HydrophobicContact CG2-CG2 4.3Å; V683-A694 HydrophobicContact CG2-CB 4.24Å; V683-V695 CarbonylContact C-O 3.51Å; V683-V695 WeakPolarHBondContact CA-O 3.26Å; V683-V696 HydrophobicContact CB-CG2 4.06Å; V683-V696 HydrophobicContact CG2-CG2 3.83Å; V683-V741 HydrophobicContact CB-CB 4.12Å; V683-V741 HydrophobicContact CB-CG2 4.35Å; V683-V741 HydrophobicContact CG1-CB 4.16Å; V683-V741 HydrophobicContact CG1-CG1 4.12Å; V683-V741 HydrophobicContact CG1-CG2 4.41Å; V683-H756 PolarHBondContact N-O 3.06Å; V683-C757 HydrophobicContact CG1-CB 3.72Å; V683-C757 WeakPolarHBondContact CG1-SG 3.35Å; V683-C757 CarbonylContact O-C 3.55Å; V683-C757 WeakPolarHBondContact O-CA 3.39Å; V683-W758 PolarHBondContact O-N 3.22Å
684	F	98.1	Very high	95.6	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	138.2	173.9	-69.5	-95.4	0	0	0	109.4	H682 A694 V695 Y697 W758 C798 P804 A805 P827 L830	H682-F684 HydrophobicContact CB-CE2 4.1Å; F684-A694 CarbonylContact O-C 3.54Å; F684-A694 WeakPolarHBondContact O-CA 3.42Å; F684-A694 WeakPolarHBondContact O-CB 3.26Å; F684-V695 HydrophobicContact CB-CG1 3.99Å; F684-V695 PolarHBondContact N-O 3.25Å; F684-V695 PolarHBondContact O-N 2.9Å; F684-Y697 AromaticContact CD2-CD2 3.83Å; F684-Y697 HydrophobicContact CD2-CD2 3.83Å; F684-Y697 AromaticContact CD2-CE2 3.84Å; F684-Y697 HydrophobicContact CD2-CE2 3.84Å; F684-Y697 HydrophobicContact CE2-CD2 4.03Å; F684-Y697 HydrophobicContact CE2-CE2 4.24Å; F684-W758 HydrophobicContact CD1-CB 3.44Å; F684-W758 VanDerWaalsContact CD1-CB 3.44Å; F684-W758 AromaticContact CD1-CG 3.93Å; F684-W758 HydrophobicContact CD1-CG 3.93Å; F684-W758 HydrophobicContact CE1-CB 3.63Å; F684-W758 AromaticContact CE1-CD1 3.92Å; F684-W758 HydrophobicContact CE1-CD2 4.25Å; F684-W758 AromaticContact CE1-CG 3.64Å; F684-W758 HydrophobicContact CE1-CG 3.64Å; F684-W758 AromaticContact CE2-CD1 3.97Å; F684-W758 HydrophobicContact CE2-CG 4.5Å; F684-W758 HydrophobicContact CG-CB 4.07Å; F684-W758 HydrophobicContact CG-CG 4.48Å; F684-W758 HydrophobicContact CZ-CB 4.38Å; F684-W758 AromaticContact CZ-CD1 3.79Å; F684-W758 HydrophobicContact CZ-CD2 4.46Å; F684-W758 AromaticContact CZ-CG 3.96Å; F684-W758 HydrophobicContact CZ-CG 3.96Å; F684-C798 HydrophobicContact CE1-CB 4.4Å; F684-P804 HydrophobicContact CB-CG 3.94Å; F684-P804 HydrophobicContact CD1-CG 4.08Å; F684-P804 HydrophobicContact CD2-CG 3.81Å; F684-P804 HydrophobicContact CE2-CG 4.31Å; F684-P804 HydrophobicContact CG-CG 3.67Å; F684-A805 HydrophobicContact CB-CB 4.07Å; F684-P827 HydrophobicContact CE1-CG 3.84Å; F684-P827 HydrophobicContact CE2-CG 4.26Å; F684-P827 HydrophobicContact CZ-CG 3.52Å; F684-L830 HydrophobicContact CE2-CD1 4Å; F684-L830 HydrophobicContact CZ-CD1 3.6Å
685	T	98.2	Very high	96	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	147	179.8	68.7	0	0	0	0	110.5	V683 G693 A694 G733 W758 W795 N803	V683-T685 HydrophobicContact CG2-CG2 4.3Å; T685-G693 WeakPolarHBondContact CA-O 3.29Å; T685-A694 HydrophobicContact CG2-CB 3.8Å; T685-G733 WeakPolarHBondContact CG2-O 3.38Å; T685-W758 PolarHBondContact N-O 3.21Å; T685-W758 PolarHBondContact OG1-O 2.77Å; T685-W795 HydrophobicContact CG2-CH2 4.2Å; T685-W795 HydrophobicContact CG2-CZ3 4.31Å; T685-N803 PolarHBondContact O-ND2 3.07Å
686	D	97.8	Very high	96.2	Very high	2 Å²	2	19.6 Å²	19.6	1%	0.011	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	158.2	-178.4	-172.6	75.2	0	0	0	110.6	Y692 G693 N803 A805 D806 T809	D686-Y692 WeakPolarHBondContact O-CA 3.15Å; D686-G693 PolarHBondContact N-O 3.45Å; D686-G693 VanDerWaalsContact N-O 3.08Å; D686-G693 PolarHBondContact O-N 2.92Å; D686-N803 PolarHBondContact OD1-ND2 2.87Å; D686-A805 VanDerWaalsContact CB-C 3.45Å; D686-A805 HydrophobicContact CB-CB 3.52Å; D686-D806 WeakPolarHBondContact OD2-CA 3.5Å; D686-T809 HydrophobicContact CB-CG2 3.86Å; D686-T809 WeakPolarHBondContact O-CG2 3.46Å; D686-T809 WeakPolarHBondContact OD2-CB 3.21Å; D686-T809 WeakPolarHBondContact OD2-CG2 3.49Å; D686-T809 PolarHBondContact OD2-OG1 3.46Å
687	A	97	Very high	96.4	Very high	6 Å²	6	18.8 Å²	18.8	5%	0.05	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	151	164.7	0	0	0	0	0	113.7	L729 E730	A687-L729 HydrophobicContact CB-CB 3.69Å; A687-E730 HydrophobicContact CB-CB 4.49Å; A687-E730 HydrophobicContact CB-CG 4.13Å; A687-E730 PolarHBondContact N-OE2 3.49Å; A687-E730 VanDerWaalsContact N-OE2 3.11Å; A687-E730 VanDerWaalsContact O-OE1 3.1Å
688	S	94.7	Very high	96.5	Very high	15 Å²	15	16.5 Å²	16.5	11%	0.105	9%	0.085	C	C	.	.			trans	-124.1	178.4	167.3	67.2	0	0	0	0	109.3	D690 A691 L729	S688-D690 PolarHBondContact O-N 3.2Å; S688-D690 PolarHBondContact OG-N 3.29Å; S688-A691 PolarHBondContact N-O 3.05Å; S688-A691 PolarHBondContact OG-N 2.94Å; S688-A691 VanDerWaalsContact OG-N 3.11Å; S688-A691 PolarHBondContact OG-O 3.08Å; S688-A691 VanDerWaalsContact OG-O 3.07Å; S688-L729 WeakPolarHBondContact O-CD1 3.01Å
689	E	93.2	Very high	96.5	Very high	154 Å²	154	14.8 Å²	14.8	72%	0.72	7%	0.074	S	C	*	.	S	Bend	trans	-63.7	-24.8	173.2	-62.2	-169.4	161	0	0	112.8	A719 V726	E689-A719 WeakPolarHBondContact O-CB 3.23Å; E689-V726 HydrophobicContact CG-CG2 4.23Å
690	D	92.8	Very high	96.4	Very high	85 Å²	85	13.4 Å²	13.4	46%	0.455	7%	0.068	S	C	.	.	S	Bend	trans	-99	-26	-173.7	-65.6	-46.1	0	0	0	113.5	I625 S688 V718 A719	I625-D690 HydrophobicContact CD1-CB 3.84Å; I625-D690 HydrophobicContact CG1-CB 4.17Å; I625-D690 HydrophobicContact CG2-CB 4.44Å; S688-D690 PolarHBondContact O-N 3.2Å; S688-D690 PolarHBondContact OG-N 3.29Å; D690-V718 CarbonylContact O-C 3.43Å; D690-V718 WeakPolarHBondContact O-CA 3.21Å; D690-V718 WeakPolarHBondContact O-CG1 3.31Å; D690-A719 PolarHBondContact O-N 2.88Å
691	A	94.9	Very high	96.3	Very high	0 Å²	0	14 Å²	14	0%	0	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.8	158.5	-173.5	0	0	0	0	0	112.9	I621 I625 S688 R717 T809	I621-A691 HydrophobicContact CD1-CB 3.72Å; I621-A691 HydrophobicContact CG1-CB 3.77Å; I625-A691 HydrophobicContact CD1-CB 4.36Å; S688-A691 PolarHBondContact N-O 3.05Å; S688-A691 PolarHBondContact OG-N 2.94Å; S688-A691 VanDerWaalsContact OG-N 3.11Å; S688-A691 PolarHBondContact OG-O 3.08Å; S688-A691 VanDerWaalsContact OG-O 3.07Å; A691-R717 CarbonylContact C-O 3.52Å; A691-R717 WeakPolarHBondContact CA-O 3.32Å; A691-R717 VanDerWaalsContact CB-O 3.26Å; A691-R717 WeakPolarHBondContact CB-O 3.36Å; A691-T809 WeakPolarHBondContact CB-O 3.3Å; A691-T809 WeakPolarHBondContact O-CB 2.86Å
692	Y	95.8	Very high	96.1	Very high	1 Å²	1	14.8 Å²	14.8	0%	0.004	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	151.1	172.3	58.6	-81.9	0	0	0	109.6	L275 D686 S716 R717 L729 M732 I736	L275-Y692 HydrophobicContact CD2-CE2 4.3Å; D686-Y692 WeakPolarHBondContact O-CA 3.15Å; Y692-S716 WeakPolarHBondContact O-CA 2.95Å; Y692-R717 HydrophobicContact CE1-CB 3.92Å; Y692-R717 HydrophobicContact CE2-CB 4Å; Y692-R717 PolarHBondContact N-O 3.4Å; Y692-R717 PolarHBondContact O-N 3.38Å; Y692-R717 WeakPolarHBondContact OH-CD 3.4Å; Y692-L729 HydrophobicContact CD1-CD2 3.97Å; Y692-L729 HydrophobicContact CE1-CD2 4.34Å; Y692-M732 HydrophobicContact CD2-CB 3.69Å; Y692-M732 HydrophobicContact CE2-CB 3.62Å; Y692-M732 HydrophobicContact CG-CB 4.2Å; Y692-I736 HydrophobicContact CD2-CD1 3.66Å; Y692-I736 HydrophobicContact CD2-CG1 4.38Å; Y692-I736 HydrophobicContact CE2-CD1 3.33Å; Y692-I736 HydrophobicContact CE2-CG1 4.07Å
693	G	95.7	Very high	95.9	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-169.1	177	-173.8	0	0	0	0	0	114.3	T685 D686 K715	T685-G693 WeakPolarHBondContact CA-O 3.29Å; D686-G693 PolarHBondContact N-O 3.45Å; D686-G693 VanDerWaalsContact N-O 3.08Å; D686-G693 PolarHBondContact O-N 2.92Å; G693-K715 CarbonylContact C-O 3.56Å; G693-K715 WeakPolarHBondContact CA-O 3.36Å
694	A	97.7	Very high	95.6	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	154	176.9	0	0	0	0	0	111.9	V683 F684 T685 S714 K715 I736	V683-A694 HydrophobicContact CG2-CB 4.24Å; F684-A694 CarbonylContact O-C 3.54Å; F684-A694 WeakPolarHBondContact O-CA 3.42Å; F684-A694 WeakPolarHBondContact O-CB 3.26Å; T685-A694 HydrophobicContact CG2-CB 3.8Å; A694-S714 CarbonylContact O-C 3.51Å; A694-S714 VanDerWaalsContact O-CA 3.26Å; A694-S714 WeakPolarHBondContact O-CA 3.44Å; A694-S714 VanDerWaalsContact O-CB 3.3Å; A694-S714 WeakPolarHBondContact O-CB 3.21Å; A694-K715 PolarHBondContact N-O 2.82Å; A694-K715 PolarHBondContact O-N 3.36Å; A694-I736 HydrophobicContact CB-CG2 4.18Å
695	V	98.1	Very high	95.1	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	136.2	174.6	56.4	0	0	0	0	110.1	V683 F684 Y697 I711 P804 A805 W823	V683-V695 CarbonylContact C-O 3.51Å; V683-V695 WeakPolarHBondContact CA-O 3.26Å; F684-V695 HydrophobicContact CB-CG1 3.99Å; F684-V695 PolarHBondContact N-O 3.25Å; F684-V695 PolarHBondContact O-N 2.9Å; V695-Y697 HydrophobicContact CB-CE2 4.25Å; V695-Y697 HydrophobicContact CG1-CE2 3.64Å; V695-Y697 HydrophobicContact CG2-CD2 4.36Å; V695-Y697 HydrophobicContact CG2-CE1 4.34Å; V695-Y697 HydrophobicContact CG2-CE2 3.67Å; V695-I711 HydrophobicContact CG2-CD1 3.65Å; V695-I711 HydrophobicContact CG2-CG1 3.85Å; V695-P804 HydrophobicContact CG1-CB 4.24Å; V695-P804 HydrophobicContact CG1-CG 4Å; V695-A805 HydrophobicContact CG1-CB 4.21Å; V695-W823 HydrophobicContact CB-CH2 4.17Å; V695-W823 HydrophobicContact CB-CZ3 4.11Å; V695-W823 HydrophobicContact CG1-CZ3 4.24Å; V695-W823 HydrophobicContact CG2-CH2 4.21Å; V695-W823 HydrophobicContact CG2-CZ3 4.29Å
696	V	97.9	Very high	94.7	Very high	0 Å²	0	42 Å²	42	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	133.4	179.4	-179.1	0	0	0	0	109.6	L681 H682 V683 V712 A713 L740 V741 V744	L681-V696 HydrophobicContact CD2-CG1 4.08Å; H682-V696 CarbonylContact O-C 3.59Å; H682-V696 WeakPolarHBondContact O-CA 3.42Å; V683-V696 HydrophobicContact CB-CG2 4.06Å; V683-V696 HydrophobicContact CG2-CG2 3.83Å; V696-V712 HydrophobicContact CB-CB 4.44Å; V696-V712 HydrophobicContact CG1-CB 4.23Å; V696-V712 WeakPolarHBondContact O-CB 3.2Å; V696-V712 PolarHBondContact O-N 2.99Å; V696-A713 PolarHBondContact N-O 2.98Å; V696-A713 PolarHBondContact O-N 3.32Å; V696-L740 HydrophobicContact CG2-CB 4.39Å; V696-L740 HydrophobicContact CG2-CD2 3.76Å; V696-L740 HydrophobicContact CG2-CG 3.73Å; V696-V741 HydrophobicContact CG1-CG2 4.41Å; V696-V741 HydrophobicContact CG2-CB 4.24Å; V696-V744 HydrophobicContact CG1-CG1 4.22Å
697	Y	97.5	Very high	94.4	Very high	0 Å²	0	43 Å²	43	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	149.2	173.6	-60.4	-88.3	0	0	0	110.6	L681 H682 F684 V695 M709 V710 I711 P804 Q822 W823 G826	L681-Y697 WeakPolarHBondContact CA-O 3.28Å; H682-Y697 PolarHBondContact N-O 3.21Å; H682-Y697 PolarHBondContact O-N 3.11Å; F684-Y697 AromaticContact CD2-CD2 3.83Å; F684-Y697 HydrophobicContact CD2-CD2 3.83Å; F684-Y697 AromaticContact CD2-CE2 3.84Å; F684-Y697 HydrophobicContact CD2-CE2 3.84Å; F684-Y697 HydrophobicContact CE2-CD2 4.03Å; F684-Y697 HydrophobicContact CE2-CE2 4.24Å; V695-Y697 HydrophobicContact CB-CE2 4.25Å; V695-Y697 HydrophobicContact CG1-CE2 3.64Å; V695-Y697 HydrophobicContact CG2-CD2 4.36Å; V695-Y697 HydrophobicContact CG2-CE1 4.34Å; V695-Y697 HydrophobicContact CG2-CE2 3.67Å; Y697-M709 HydrophobicContact CD1-CG 4.04Å; Y697-M709 HydrophobicContact CD1-SD 4.41Å; Y697-M709 HydrophobicContact CG-CG 4.07Å; Y697-M709 HydrophobicContact CG-SD 4.08Å; Y697-V710 WeakPolarHBondContact CA-O 3.34Å; Y697-I711 HydrophobicContact CD1-CB 3.99Å; Y697-I711 HydrophobicContact CE1-CB 3.79Å; Y697-I711 HydrophobicContact CE1-CG1 4.2Å; Y697-P804 HydrophobicContact CE2-CB 4.3Å; Y697-P804 HydrophobicContact CE2-CG 3.69Å; Y697-P804 VanDerWaalsContact OH-CB 3.27Å; Y697-P804 WeakPolarHBondContact OH-CB 3.49Å; Y697-Q822 PolarHBondContact OH-O 3.48Å; Y697-W823 WeakPolarHBondContact CE1-O 3.31Å; Y697-W823 PolarHBondContact OH-O 3Å; Y697-G826 VanDerWaalsContact CE1-N 3.28Å
698	L	96.4	Very high	94.2	Very high	1 Å²	1	43.8 Å²	43.8	1%	0.005	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	119	165.7	-178.7	69.5	0	0	0	108	L668 I669 K679 L681 T700 M709 V710 V712 M748 L750 I752	L668-L698 HydrophobicContact CB-CD2 3.85Å; I669-L698 HydrophobicContact CG1-CD2 4.23Å; K679-L698 HydrophobicContact CB-CD1 4.24Å; L681-L698 HydrophobicContact CD2-CB 4.43Å; L681-L698 HydrophobicContact CD2-CD1 3.9Å; L698-T700 HydrophobicContact CD2-CG2 4Å; L698-T700 HydrophobicContact CG-CG2 4.04Å; L698-M709 WeakPolarHBondContact O-CA 3.46Å; L698-V710 PolarHBondContact N-O 2.87Å; L698-V710 PolarHBondContact O-N 3.03Å; L698-V712 HydrophobicContact CB-CG2 3.63Å; L698-M748 HydrophobicContact CD2-CE 4.43Å; L698-L750 HydrophobicContact CD2-CD1 4.36Å; L698-I752 HydrophobicContact CD1-CD1 4.04Å
699	R	95.7	Very high	94.1	Very high	10 Å²	10	43.3 Å²	43.3	4%	0.038	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	128.3	168.1	-168.4	175.3	172	-89	-2.4	108.2	K679 D680 H682 T701 N707 S708 M709 L830 S832	K679-R699 CarbonylContact C-O 3.41Å; K679-R699 WeakPolarHBondContact CA-O 3.23Å; D680-R699 HydrophobicContact CB-CB 4.21Å; D680-R699 PolarHBondContact N-O 2.87Å; D680-R699 PolarHBondContact O-N 3.02Å; D680-R699 IonicContact OD2-NH1 3.35Å; D680-R699 PolarHBondContact OD2-NH1 3.39Å; H682-R699 WeakPolarHBondContact NE2-CD 3.45Å; R699-T701 PolarHBondContact NH1-OG1 2.6Å; R699-T701 VanDerWaalsContact NH1-OG1 3.14Å; R699-N707 PolarHBondContact NH2-ND2 3.16Å; R699-N707 VanDerWaalsContact NH2-ND2 3.14Å; R699-N707 PolarHBondContact NH2-OD1 3Å; R699-S708 CarbonylContact C-O 3.48Å; R699-S708 WeakPolarHBondContact CA-O 3.23Å; R699-M709 HydrophobicContact CB-CE 3.84Å; R699-M709 HydrophobicContact CG-CE 3.91Å; R699-L830 PolarHBondContact NE-O 3.29Å; R699-S832 PolarHBondContact NH2-O 3.49Å
700	T	94.3	Very high	94.2	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	130.3	172	53.1	0	0	0	0	109.8	I669 T678 K679 L698 N707 S708	I669-T700 HydrophobicContact CG1-CG2 4.39Å; T678-T700 WeakPolarHBondContact O-CA 3.46Å; K679-T700 HydrophobicContact CG-CG2 4.31Å; L698-T700 HydrophobicContact CD2-CG2 4Å; L698-T700 HydrophobicContact CG-CG2 4.04Å; T700-N707 CarbonylContact O-C 3.57Å; T700-N707 WeakPolarHBondContact O-CA 3.49Å; T700-S708 PolarHBondContact N-O 3.3Å; T700-S708 PolarHBondContact O-N 3.2Å; T700-S708 PolarHBondContact OG1-OG 3.45Å
701	T	94	Very high	94.4	Very high	20 Å²	20	32.7 Å²	32.7	12%	0.123	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	127.8	175	-51.4	0	0	0	0	108.1	A677 T678 R699 N707	A677-T701 WeakPolarHBondContact CA-O 3.21Å; A677-T701 WeakPolarHBondContact CB-O 3.31Å; A677-T701 PolarHBondContact N-O 2.84Å; T678-T701 PolarHBondContact N-O 3.36Å; T678-T701 PolarHBondContact O-N 3.13Å; T678-T701 VanDerWaalsContact OG1-CB 3.31Å; T678-T701 WeakPolarHBondContact OG1-CB 3.38Å; T678-T701 PolarHBondContact OG1-OG1 2.67Å; T678-T701 VanDerWaalsContact OG1-OG1 3.07Å; R699-T701 PolarHBondContact NH1-OG1 2.6Å; R699-T701 VanDerWaalsContact NH1-OG1 3.14Å; T701-N707 VanDerWaalsContact CG2-OD1 3.28Å; T701-N707 WeakPolarHBondContact CG2-OD1 3.29Å; T701-N707 PolarHBondContact OG1-OD1 2.81Å
702	T	93.3	Very high	94.5	Very high	16 Å²	16	32.7 Å²	32.7	10%	0.098	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	161	172.5	63	0	0	0	0	111.2	M671 D675 R704 G705 K706	M671-T702 HydrophobicContact CE-CG2 3.94Å; M671-T702 HydrophobicContact CG-CG2 4.1Å; M671-T702 HydrophobicContact SD-CG2 4.47Å; D675-T702 CarbonylContact O-C 3.56Å; D675-T702 WeakPolarHBondContact O-CA 3.42Å; D675-T702 WeakPolarHBondContact O-CB 3.39Å; T702-R704 PolarHBondContact O-N 3.02Å; T702-R704 PolarHBondContact OG1-N 2.71Å; T702-G705 PolarHBondContact O-N 3.23Å; T702-K706 HydrophobicContact CG2-CB 4.27Å; T702-K706 WeakPolarHBondContact CG2-O 3.07Å; T702-K706 PolarHBondContact N-O 2.91Å; T702-K706 WeakPolarHBondContact OG1-CA 3.19Å; T702-K706 VanDerWaalsContact OG1-CB 3.3Å; T702-K706 WeakPolarHBondContact OG1-CB 3.44Å; T702-K706 PolarHBondContact OG1-N 2.88Å; T702-K706 PolarHBondContact OG1-O 3.13Å; T702-K706 VanDerWaalsContact OG1-O 3.14Å
703	K	92.5	Very high	94.5	Very high	148 Å²	148	32.6 Å²	32.6	64%	0.643	16%	0.156	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.3	-17.9	170.8	-69.2	176.5	177	170.4	0	113.8	E674 D675 A677	E674-K703 WeakPolarHBondContact O-CD 3.1Å; E674-K703 WeakPolarHBondContact O-CE 3.41Å; E674-K703 PolarHBondContact O-NZ 3.44Å; D675-K703 PolarHBondContact O-N 2.58Å; A677-K703 HydrophobicContact CB-CG 4.11Å
704	R	91.2	Very high	94.6	Very high	230 Å²	230	32.6 Å²	32.6	87%	0.868	16%	0.156	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.1	7.6	174.5	-59.4	-175.9	-174.7	-173.2	1.8	113.4	T702 K706	T702-R704 PolarHBondContact O-N 3.02Å; T702-R704 PolarHBondContact OG1-N 2.71Å; R704-K706 VanDerWaalsContact C-N 3.28Å; R704-K706 PolarHBondContact O-N 2.96Å
705	G	89	Confident	94.4	Very high	43 Å²	43	35.8 Å²	35.8	44%	0.443	17%	0.17	S	C	.	.	S	Bend	trans	76.3	6.3	-179.5	0	0	0	0	0	115.2	T702 N707	T702-G705 PolarHBondContact O-N 3.23Å; G705-N707 PolarHBondContact O-N 3.11Å
706	K	89.9	Confident	94.2	Very high	152 Å²	152	36.3 Å²	36.3	66%	0.661	17%	0.173	S	C	*	.			trans	-74.9	124.6	172.9	-174.6	-179.3	-178.9	179.6	0	109.8	T702 R704	T702-K706 HydrophobicContact CG2-CB 4.27Å; T702-K706 WeakPolarHBondContact CG2-O 3.07Å; T702-K706 PolarHBondContact N-O 2.91Å; T702-K706 WeakPolarHBondContact OG1-CA 3.19Å; T702-K706 VanDerWaalsContact OG1-CB 3.3Å; T702-K706 WeakPolarHBondContact OG1-CB 3.44Å; T702-K706 PolarHBondContact OG1-N 2.88Å; T702-K706 PolarHBondContact OG1-O 3.13Å; T702-K706 VanDerWaalsContact OG1-O 3.14Å; R704-K706 VanDerWaalsContact C-N 3.28Å; R704-K706 PolarHBondContact O-N 2.96Å
707	N	91.3	Very high	93.9	Very high	22 Å²	22	39.1 Å²	39.1	12%	0.118	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	148.3	177.6	-57.3	-37.9	0	0	0	110.8	R699 T700 T701 G705 E831 S832	R699-N707 PolarHBondContact NH2-ND2 3.16Å; R699-N707 VanDerWaalsContact NH2-ND2 3.14Å; R699-N707 PolarHBondContact NH2-OD1 3Å; T700-N707 CarbonylContact O-C 3.57Å; T700-N707 WeakPolarHBondContact O-CA 3.49Å; T701-N707 VanDerWaalsContact CG2-OD1 3.28Å; T701-N707 WeakPolarHBondContact CG2-OD1 3.29Å; T701-N707 PolarHBondContact OG1-OD1 2.81Å; G705-N707 PolarHBondContact O-N 3.11Å; N707-E831 WeakPolarHBondContact CB-O 3.31Å; N707-E831 PolarHBondContact ND2-O 3.13Å; N707-S832 PolarHBondContact ND2-O 2.95Å
708	S	91.5	Very high	93.6	Very high	23 Å²	23	39.5 Å²	39.5	16%	0.161	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	144.3	166.2	77.1	0	0	0	0	110.3	P670 R699 T700	P670-S708 WeakPolarHBondContact CG-OG 3.49Å; R699-S708 CarbonylContact C-O 3.48Å; R699-S708 WeakPolarHBondContact CA-O 3.23Å; T700-S708 PolarHBondContact N-O 3.3Å; T700-S708 PolarHBondContact O-N 3.2Å; T700-S708 PolarHBondContact OG1-OG 3.45Å
709	M	93.1	Very high	93.4	Very high	4 Å²	4	39.7 Å²	39.7	2%	0.02	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	129.3	-180	-174.8	168	-65.6	0	0	109.9	Y697 L698 R699 N825 L830	Y697-M709 HydrophobicContact CD1-CG 4.04Å; Y697-M709 HydrophobicContact CD1-SD 4.41Å; Y697-M709 HydrophobicContact CG-CG 4.07Å; Y697-M709 HydrophobicContact CG-SD 4.08Å; L698-M709 WeakPolarHBondContact O-CA 3.46Å; R699-M709 HydrophobicContact CB-CE 3.84Å; R699-M709 HydrophobicContact CG-CE 3.91Å; M709-N825 VanDerWaalsContact CB-O 3.23Å; M709-N825 WeakPolarHBondContact CB-O 3.21Å; M709-N825 WeakPolarHBondContact CG-O 3.36Å; M709-N825 PolarHBondContact O-ND2 3.49Å; M709-N825 VanDerWaalsContact SD-O 3.36Å; M709-L830 HydrophobicContact CE-CB 3.42Å; M709-L830 VanDerWaalsContact CE-CB 3.42Å; M709-L830 HydrophobicContact CE-CD1 3.71Å; M709-L830 HydrophobicContact CE-CG 4.23Å; M709-L830 HydrophobicContact SD-CB 4.24Å; M709-L830 HydrophobicContact SD-CD1 4.21Å
710	V	94.5	Very high	93	Very high	16 Å²	16	40.1 Å²	40.1	10%	0.097	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	134.6	-176	-178.4	0	0	0	0	109.4	L668 Y697 L698 V712	L668-V710 HydrophobicContact CD2-CG1 4.19Å; Y697-V710 WeakPolarHBondContact CA-O 3.34Å; L698-V710 PolarHBondContact N-O 2.87Å; L698-V710 PolarHBondContact O-N 3.03Å; V710-V712 PolarHBondContact O-N 2.91Å
711	I	97	Very high	92.4	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.4	129	173.6	-172.1	170.3	0	0	0	111.4	R425 L615 L664 V695 Y697 W823 W824	R425-I711 PolarHBondContact NH1-O 3.46Å; R425-I711 PolarHBondContact NH2-O 3.47Å; L615-I711 HydrophobicContact CD2-CD1 4.34Å; L615-I711 HydrophobicContact CD2-CG1 4.48Å; L615-I711 HydrophobicContact CD2-CG2 4.12Å; L664-I711 HydrophobicContact CD1-CG2 3.63Å; L664-I711 HydrophobicContact CD2-CG2 4.1Å; V695-I711 HydrophobicContact CG2-CD1 3.65Å; V695-I711 HydrophobicContact CG2-CG1 3.85Å; Y697-I711 HydrophobicContact CD1-CB 3.99Å; Y697-I711 HydrophobicContact CE1-CB 3.79Å; Y697-I711 HydrophobicContact CE1-CG1 4.2Å; I711-W823 HydrophobicContact CD1-CD2 4.48Å; I711-W823 HydrophobicContact CD1-CZ2 3.86Å; I711-W824 HydrophobicContact CG2-CE3 3.89Å; I711-W824 HydrophobicContact CG2-CZ3 4.37Å; I711-W824 PolarHBondContact N-O 3.12Å; I711-W824 VanDerWaalsContact N-O 3.15Å
712	V	97.2	Very high	91.9	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	-60.1	178.5	179.3	0	0	0	0	109.9	L422 R425 L668 V696 L698 V710 V744 M748	L422-V712 HydrophobicContact CD2-CG1 3.5Å; R425-V712 PolarHBondContact NH1-O 3.07Å; L668-V712 HydrophobicContact CD2-CG2 3.99Å; V696-V712 HydrophobicContact CB-CB 4.44Å; V696-V712 HydrophobicContact CG1-CB 4.23Å; V696-V712 WeakPolarHBondContact O-CB 3.2Å; V696-V712 PolarHBondContact O-N 2.99Å; L698-V712 HydrophobicContact CB-CG2 3.63Å; V710-V712 PolarHBondContact O-N 2.91Å; V712-V744 HydrophobicContact CG1-CG1 3.67Å; V712-V744 HydrophobicContact CG1-CG2 4.29Å; V712-M748 HydrophobicContact CG1-SD 3.56Å; V712-M748 VanDerWaalsContact CG1-SD 3.56Å
713	A	96.7	Very high	91.4	Very high	0 Å²	0	59.5 Å²	59.5	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.4	158.9	179.8	0	0	0	0	0	110.7	L613 V696 L740 V744	L613-A713 CarbonylContact O-C 3.56Å; L613-A713 WeakPolarHBondContact O-CA 3.5Å; V696-A713 PolarHBondContact N-O 2.98Å; V696-A713 PolarHBondContact O-N 3.32Å; A713-L740 HydrophobicContact CB-CD1 4.23Å; A713-V744 HydrophobicContact CB-CG2 4.38Å
714	S	96.9	Very high	91.1	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	158.9	169.7	91.1	0	0	0	0	111.5	L613 G614 T617 A694	L613-S714 PolarHBondContact O-N 3.27Å; G614-S714 PolarHBondContact O-OG 2.99Å; T617-S714 WeakPolarHBondContact CB-OG 3.49Å; T617-S714 PolarHBondContact OG1-OG 3.49Å; A694-S714 CarbonylContact O-C 3.51Å; A694-S714 VanDerWaalsContact O-CA 3.26Å; A694-S714 WeakPolarHBondContact O-CA 3.44Å; A694-S714 VanDerWaalsContact O-CB 3.3Å; A694-S714 WeakPolarHBondContact O-CB 3.21Å
715	K	94.5	Very high	91.2	Very high	67 Å²	67	46 Å²	46	29%	0.291	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	142.1	174.6	-67.7	-66.1	-178.9	-171.7	0	109.6	P612 G693 A694 I736 L740	P612-K715 PolarHBondContact O-NZ 3.32Å; G693-K715 CarbonylContact C-O 3.56Å; G693-K715 WeakPolarHBondContact CA-O 3.36Å; A694-K715 PolarHBondContact N-O 2.82Å; A694-K715 PolarHBondContact O-N 3.36Å; K715-I736 HydrophobicContact CB-CG2 3.78Å; K715-L740 HydrophobicContact CB-CD2 4.32Å; K715-L740 HydrophobicContact CG-CD1 3.96Å; K715-L740 HydrophobicContact CG-CD2 4.07Å
716	S	93.7	Very high	91.4	Very high	10 Å²	10	46.8 Å²	46.8	7%	0.07	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	153	174.5	67.8	0	0	0	0	112.1	T617 K624 Y692 A808	T617-S716 WeakPolarHBondContact CG2-OG 3.43Å; K624-S716 PolarHBondContact NZ-O 3.3Å; Y692-S716 WeakPolarHBondContact O-CA 2.95Å; S716-A808 WeakPolarHBondContact CB-O 3.49Å
717	R	91.7	Very high	91.7	Very high	60 Å²	60	41.5 Å²	41.5	23%	0.226	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	148.8	172.6	-70.2	-165.6	173.9	-147.7	-6.8	110.4	S274 A691 Y692 I736	S274-R717 PolarHBondContact O-NH1 3.09Å; S274-R717 PolarHBondContact O-NH2 3.22Å; S274-R717 PolarHBondContact OG-NH1 3.08Å; A691-R717 CarbonylContact C-O 3.52Å; A691-R717 WeakPolarHBondContact CA-O 3.32Å; A691-R717 VanDerWaalsContact CB-O 3.26Å; A691-R717 WeakPolarHBondContact CB-O 3.36Å; Y692-R717 HydrophobicContact CE1-CB 3.92Å; Y692-R717 HydrophobicContact CE2-CB 4Å; Y692-R717 PolarHBondContact N-O 3.4Å; Y692-R717 PolarHBondContact O-N 3.38Å; Y692-R717 WeakPolarHBondContact OH-CD 3.4Å; R717-I736 HydrophobicContact CB-CD1 4.34Å; R717-I736 HydrophobicContact CG-CD1 3.88Å
718	V	91.8	Very high	91.9	Very high	7 Å²	7	44.7 Å²	44.7	4%	0.042	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	141.1	168.5	-170.6	0	0	0	0	107.9	I621 K624 I625 Q628 D690	I621-V718 HydrophobicContact CD1-CG2 4.11Å; K624-V718 HydrophobicContact CB-CG2 3.38Å; K624-V718 HydrophobicContact CD-CG2 4.46Å; I625-V718 HydrophobicContact CG1-CG1 4.41Å; I625-V718 HydrophobicContact CG1-CG2 4.47Å; Q628-V718 HydrophobicContact CB-CG1 4.04Å; Q628-V718 HydrophobicContact CG-CG1 4.3Å; Q628-V718 VanDerWaalsContact NE2-CG1 3.29Å; D690-V718 CarbonylContact O-C 3.43Å; D690-V718 WeakPolarHBondContact O-CA 3.21Å; D690-V718 WeakPolarHBondContact O-CG1 3.31Å
719	A	91.9	Very high	92	Very high	5 Å²	5	43.8 Å²	43.8	4%	0.041	21%	0.214	C	C	.	.	P	Polyproline II helix	trans	-57.7	144.1	175	0	0	0	0	0	110	Q628 E689 D690 L729	Q628-A719 PolarHBondContact NE2-O 3.19Å; E689-A719 WeakPolarHBondContact O-CB 3.23Å; D690-A719 PolarHBondContact O-N 2.88Å; A719-L729 HydrophobicContact CB-CD1 4.21Å; A719-L729 HydrophobicContact CB-CD2 3.9Å
720	P	86.1	Confident	92.2	Very high	19 Å²	19	44.3 Å²	44.3	12%	0.123	22%	0.216	C	C	.	.	P	Polyproline II helix	trans	-63.6	147.8	-178.5	-19.3	31.6	0	0	0	111.9	V272 K722 L724	V272-P720 HydrophobicContact CG2-CB 4.09Å; V272-P720 HydrophobicContact CG2-CG 3.27Å; P720-K722 CarbonylContact O-C 3.53Å; P720-K722 PolarHBondContact O-N 2.92Å; P720-K722 VanDerWaalsContact O-N 3.15Å; P720-L724 HydrophobicContact CG-CD1 3.95Å
721	L	82.9	Confident	92.3	Very high	69 Å²	69	43.5 Å²	43.5	36%	0.361	21%	0.211	S	C	.	.	S	Bend	trans	-56.7	-31.7	173.9	-68.1	-179.2	0	0	0	112.8	W270 Q628 Q632 K723	W270-L721 HydrophobicContact CE3-CD1 3.91Å; W270-L721 HydrophobicContact CE3-CG 4.02Å; W270-L721 HydrophobicContact CZ3-CD1 3.86Å; W270-L721 HydrophobicContact CZ3-CD2 4.47Å; W270-L721 HydrophobicContact CZ3-CG 4.24Å; Q628-L721 HydrophobicContact CG-CD2 3.53Å; Q628-L721 HydrophobicContact CG-CG 4.45Å; Q632-L721 HydrophobicContact CG-CD2 3.54Å; L721-K723 PolarHBondContact O-N 3.01Å
722	K	82.6	Confident	92.3	Very high	173 Å²	173	43.5 Å²	43.5	75%	0.752	21%	0.211	S	C	*	.	S	Bend	trans	-75.8	108	170.4	-176.2	178.9	-178.4	178.1	0	108.3	P720 L724	P720-K722 CarbonylContact O-C 3.53Å; P720-K722 PolarHBondContact O-N 2.92Å; P720-K722 VanDerWaalsContact O-N 3.15Å; K722-L724 PolarHBondContact O-N 3.39Å; K722-L724 VanDerWaalsContact O-N 3.16Å
723	K	82.9	Confident	92.2	Very high	201 Å²	201	43.5 Å²	43.5	87%	0.874	21%	0.211	S	C	*	.	P	Polyproline II helix	trans	-48.9	120	-178.5	-69	-167	175.5	-168.1	0	111.7	L721	L721-K723 PolarHBondContact O-N 3.01Å
724	L	87.6	Confident	92.3	Very high	35 Å²	35	43.5 Å²	43.5	18%	0.183	21%	0.211	C	C	.	.	P	Polyproline II helix	trans	-102.4	154.1	165.9	-64.9	-179.8	0	0	0	108.4	V272 P720 K722 R728 L729 F778	V272-L724 HydrophobicContact CG2-CD1 4.24Å; P720-L724 HydrophobicContact CG-CD1 3.95Å; K722-L724 PolarHBondContact O-N 3.39Å; K722-L724 VanDerWaalsContact O-N 3.16Å; L724-R728 HydrophobicContact CB-CB 4.27Å; L724-L729 HydrophobicContact CB-CD2 4.08Å; L724-L729 HydrophobicContact CB-CG 4.04Å; L724-L729 HydrophobicContact CD1-CD2 4.05Å; L724-F778 HydrophobicContact CD1-CE2 4.49Å; L724-F778 HydrophobicContact CD1-CZ 4.13Å; L724-F778 HydrophobicContact CD2-CE2 4.45Å
725	S	92.8	Very high	92.2	Very high	59 Å²	59	43.7 Å²	43.7	41%	0.413	21%	0.212	S	C	.	.	P	Polyproline II helix	trans	-70	148.9	171.7	59.7	0	0	0	0	109.9	P727 R728 L729	S725-P727 VanDerWaalsContact C-N 3.32Å; S725-R728 WeakPolarHBondContact O-CA 3.37Å; S725-R728 WeakPolarHBondContact O-CB 3.35Å; S725-R728 PolarHBondContact O-N 3.16Å; S725-R728 WeakPolarHBondContact OG-CG 3.42Å; S725-L729 PolarHBondContact O-N 2.9Å; S725-L729 VanDerWaalsContact O-N 3.13Å
726	V	93.8	Very high	92.2	Very high	61 Å²	61	41 Å²	41	37%	0.37	20%	0.201	S	C	.	.	H	α-helix	trans	-49	-47.4	177.4	176.6	0	0	0	0	111.8	E689 R728 L729 E730	E689-V726 HydrophobicContact CG-CG2 4.23Å; V726-R728 PolarHBondContact O-N 2.87Å; V726-R728 VanDerWaalsContact O-N 3.11Å; V726-L729 CarbonylContact O-C 3.53Å; V726-L729 WeakPolarHBondContact O-CA 3.25Å; V726-L729 WeakPolarHBondContact O-CB 3.25Å; V726-L729 PolarHBondContact O-N 3.45Å; V726-E730 HydrophobicContact CG1-CG 4.22Å; V726-E730 WeakPolarHBondContact O-CG 3.48Å; V726-E730 PolarHBondContact O-N 3.22Å
727	P	94.9	Very high	92.4	Very high	41 Å²	41	40.5 Å²	40.5	27%	0.266	20%	0.197	S	C	.	.	H	α-helix	trans	-57.3	-33	176.2	-28.9	36.9	0	0	0	115	S725 L731 V763 W767	S725-P727 VanDerWaalsContact C-N 3.32Å; P727-L731 PolarHBondContact O-N 3.4Å; P727-V763 HydrophobicContact CB-CB 4.36Å; P727-V763 HydrophobicContact CB-CG1 3.85Å; P727-V763 HydrophobicContact CG-CG1 4.34Å; P727-W767 HydrophobicContact CB-CH2 3.51Å; P727-W767 HydrophobicContact CB-CZ2 4.42Å; P727-W767 HydrophobicContact CB-CZ3 3.79Å; P727-W767 VanDerWaalsContact O-CZ3 3.29Å; P727-W767 WeakPolarHBondContact O-CZ3 3.35Å
728	R	94.9	Very high	92.7	Very high	89 Å²	89	37.6 Å²	37.6	34%	0.336	19%	0.186	S	C	.	.	H	α-helix	trans	-73	-32.7	176	-76	-178.9	179	170.1	1.5	111.6	L724 S725 V726 M732 F778	L724-R728 HydrophobicContact CB-CB 4.27Å; S725-R728 WeakPolarHBondContact O-CA 3.37Å; S725-R728 WeakPolarHBondContact O-CB 3.35Å; S725-R728 PolarHBondContact O-N 3.16Å; S725-R728 WeakPolarHBondContact OG-CG 3.42Å; V726-R728 PolarHBondContact O-N 2.87Å; V726-R728 VanDerWaalsContact O-N 3.11Å; R728-M732 WeakPolarHBondContact O-CG 3.34Å; R728-M732 PolarHBondContact O-N 2.91Å; R728-M732 VanDerWaalsContact O-N 3.16Å; R728-F778 HydrophobicContact CB-CD1 4.49Å; R728-F778 HydrophobicContact CB-CE1 3.69Å; R728-F778 HydrophobicContact CB-CZ 4.19Å; R728-F778 HydrophobicContact CG-CD1 3.94Å; R728-F778 HydrophobicContact CG-CE1 3.63Å; R728-F778 HydrophobicContact CG-CZ 4.45Å
729	L	95.6	Very high	92.9	Very high	4 Å²	4	38.9 Å²	38.9	2%	0.021	19%	0.191	C	C	.	.	H	α-helix	trans	-69.9	-41.1	173.1	-65.6	168.3	0	0	0	110.5	A687 S688 Y692 A719 L724 S725 V726 L731 M732 G733	A687-L729 HydrophobicContact CB-CB 3.69Å; S688-L729 WeakPolarHBondContact O-CD1 3.01Å; Y692-L729 HydrophobicContact CD1-CD2 3.97Å; Y692-L729 HydrophobicContact CE1-CD2 4.34Å; A719-L729 HydrophobicContact CB-CD1 4.21Å; A719-L729 HydrophobicContact CB-CD2 3.9Å; L724-L729 HydrophobicContact CB-CD2 4.08Å; L724-L729 HydrophobicContact CB-CG 4.04Å; L724-L729 HydrophobicContact CD1-CD2 4.05Å; S725-L729 PolarHBondContact O-N 2.9Å; S725-L729 VanDerWaalsContact O-N 3.13Å; V726-L729 CarbonylContact O-C 3.53Å; V726-L729 WeakPolarHBondContact O-CA 3.25Å; V726-L729 WeakPolarHBondContact O-CB 3.25Å; V726-L729 PolarHBondContact O-N 3.45Å; L729-L731 PolarHBondContact O-N 2.88Å; L729-M732 CarbonylContact O-C 3.49Å; L729-M732 WeakPolarHBondContact O-CA 3.17Å; L729-M732 WeakPolarHBondContact O-CB 3.43Å; L729-M732 PolarHBondContact O-N 3.46Å; L729-G733 PolarHBondContact O-N 3.5Å
730	E	97.4	Very high	93.1	Very high	14 Å²	14	38.7 Å²	38.7	7%	0.065	19%	0.189	C	C	.	.	H	α-helix	trans	-57	-47.5	172.9	-65.1	-65.1	170.9	0	0	111.7	A687 V726 M732 G733 A734 A764	A687-E730 HydrophobicContact CB-CB 4.49Å; A687-E730 HydrophobicContact CB-CG 4.13Å; A687-E730 PolarHBondContact N-OE2 3.49Å; A687-E730 VanDerWaalsContact N-OE2 3.11Å; A687-E730 VanDerWaalsContact O-OE1 3.1Å; V726-E730 HydrophobicContact CG1-CG 4.22Å; V726-E730 WeakPolarHBondContact O-CG 3.48Å; V726-E730 PolarHBondContact O-N 3.22Å; E730-M732 PolarHBondContact O-N 2.96Å; E730-G733 PolarHBondContact O-N 2.86Å; E730-G733 VanDerWaalsContact O-N 3.13Å; E730-A734 PolarHBondContact O-N 2.99Å; E730-A764 HydrophobicContact CB-CB 3.88Å
731	L	96.4	Very high	93.6	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-60.6	-30.1	174.2	-176.1	65	0	0	0	112.4	P727 L729 L735 W767 I768 V779 R782 V783 I786	P727-L731 PolarHBondContact O-N 3.4Å; L729-L731 PolarHBondContact O-N 2.88Å; L731-L735 PolarHBondContact O-N 3.34Å; L731-W767 HydrophobicContact CB-CE3 4.14Å; L731-W767 HydrophobicContact CB-CZ3 4.24Å; L731-W767 HydrophobicContact CD1-CE3 4.49Å; L731-W767 HydrophobicContact CD2-CE3 3.96Å; L731-W767 HydrophobicContact CD2-CZ3 4.29Å; L731-W767 HydrophobicContact CG-CE3 4.43Å; L731-I768 HydrophobicContact CD1-CG1 4.13Å; L731-V779 HydrophobicContact CD2-CB 4.14Å; L731-V779 HydrophobicContact CD2-CG1 3.93Å; L731-V779 HydrophobicContact CD2-CG2 4.11Å; L731-R782 HydrophobicContact CD2-CB 3.99Å; L731-R782 HydrophobicContact CG-CB 4.2Å; L731-V783 HydrophobicContact CD1-CG2 3.88Å; L731-V783 HydrophobicContact CD2-CG2 4.38Å; L731-I786 HydrophobicContact CD1-CD1 3.71Å
732	M	95.2	Very high	94.2	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-77.2	-35.4	176.1	-62.5	-93	51.3	0	0	112.3	V272 L275 Y692 R728 L729 E730 A734 L735 I736 F778 R782	V272-M732 HydrophobicContact CG1-SD 3.45Å; V272-M732 WeakPolarHBondContact CG1-SD 3.18Å; L275-M732 HydrophobicContact CD1-CE 3.57Å; L275-M732 HydrophobicContact CD1-SD 4.2Å; Y692-M732 HydrophobicContact CD2-CB 3.69Å; Y692-M732 HydrophobicContact CE2-CB 3.62Å; Y692-M732 HydrophobicContact CG-CB 4.2Å; R728-M732 WeakPolarHBondContact O-CG 3.34Å; R728-M732 PolarHBondContact O-N 2.91Å; R728-M732 VanDerWaalsContact O-N 3.16Å; L729-M732 CarbonylContact O-C 3.49Å; L729-M732 WeakPolarHBondContact O-CA 3.17Å; L729-M732 WeakPolarHBondContact O-CB 3.43Å; L729-M732 PolarHBondContact O-N 3.46Å; E730-M732 PolarHBondContact O-N 2.96Å; M732-A734 VanDerWaalsContact C-N 3.34Å; M732-L735 HydrophobicContact CE-CB 3.94Å; M732-L735 HydrophobicContact CE-CD2 3.36Å; M732-L735 HydrophobicContact CE-CG 4.25Å; M732-L735 PolarHBondContact O-N 3.4Å; M732-I736 PolarHBondContact O-N 3.34Å; M732-F778 HydrophobicContact CG-CZ 4.18Å; M732-F778 HydrophobicContact SD-CZ 3.92Å; M732-R782 HydrophobicContact CE-CG 3.97Å; M732-R782 PolarHBondContact SD-NE 3.27Å
733	G	96.5	Very high	94.8	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-57.2	-49.2	166.6	0	0	0	0	0	110.7	T685 L729 E730 L735 I736 G737	T685-G733 WeakPolarHBondContact CG2-O 3.38Å; L729-G733 PolarHBondContact O-N 3.5Å; E730-G733 PolarHBondContact O-N 2.86Å; E730-G733 VanDerWaalsContact O-N 3.13Å; G733-L735 VanDerWaalsContact C-N 3.35Å; G733-L735 PolarHBondContact O-N 3.32Å; G733-I736 PolarHBondContact O-N 3.27Å; G733-G737 PolarHBondContact O-N 3.19Å
734	A	97.6	Very high	95.4	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-56.3	-44.8	175.3	0	0	0	0	0	112.7	E730 M732 G737 A738 I768 I786 W795	E730-A734 PolarHBondContact O-N 2.99Å; M732-A734 VanDerWaalsContact C-N 3.34Å; A734-G737 PolarHBondContact O-N 3.28Å; A734-A738 PolarHBondContact O-N 2.69Å; A734-I768 HydrophobicContact CB-CD1 3.63Å; A734-I786 HydrophobicContact CB-CD1 3.89Å; A734-W795 HydrophobicContact CB-CH2 3.57Å; A734-W795 HydrophobicContact CB-CZ2 4.47Å; A734-W795 HydrophobicContact CB-CZ3 3.75Å; A734-W795 WeakPolarHBondContact O-CH2 3.4Å
735	L	96	Very high	95.8	Very high	3 Å²	3	23.6 Å²	23.6	2%	0.016	12%	0.12	C	C	.	.	H	α-helix	trans	-63.3	-43.3	177	-179.1	62.8	0	0	0	112.8	L275 L731 M732 G733 G737 A738 R739 R782 E785 I786	L275-L735 HydrophobicContact CD1-CD2 4.16Å; L731-L735 PolarHBondContact O-N 3.34Å; M732-L735 HydrophobicContact CE-CB 3.94Å; M732-L735 HydrophobicContact CE-CD2 3.36Å; M732-L735 HydrophobicContact CE-CG 4.25Å; M732-L735 PolarHBondContact O-N 3.4Å; G733-L735 VanDerWaalsContact C-N 3.35Å; G733-L735 PolarHBondContact O-N 3.32Å; L735-G737 VanDerWaalsContact C-N 3.28Å; L735-G737 PolarHBondContact O-N 3.49Å; L735-A738 PolarHBondContact O-N 2.95Å; L735-R739 HydrophobicContact CD1-CG 4.41Å; L735-R739 WeakPolarHBondContact O-CG 3.3Å; L735-R739 PolarHBondContact O-N 3.06Å; L735-R782 HydrophobicContact CD2-CG 4.15Å; L735-E785 HydrophobicContact CD1-CB 4Å; L735-E785 HydrophobicContact CD1-CG 3.76Å; L735-I786 HydrophobicContact CB-CD1 4.15Å; L735-I786 HydrophobicContact CB-CG1 4.12Å; L735-I786 HydrophobicContact CD1-CG1 3.84Å
736	I	94.8	Very high	95.8	Very high	10 Å²	10	25.3 Å²	25.3	5%	0.051	12%	0.122	C	C	.	.	H	α-helix	trans	-60.6	-42	174.2	-72.4	-174.8	0	0	0	110.2	L275 Y692 A694 K715 R717 M732 G733 L740	L275-I736 HydrophobicContact CD2-CD1 3.78Å; L275-I736 HydrophobicContact CD2-CG1 3.73Å; Y692-I736 HydrophobicContact CD2-CD1 3.66Å; Y692-I736 HydrophobicContact CD2-CG1 4.38Å; Y692-I736 HydrophobicContact CE2-CD1 3.33Å; Y692-I736 HydrophobicContact CE2-CG1 4.07Å; A694-I736 HydrophobicContact CB-CG2 4.18Å; K715-I736 HydrophobicContact CB-CG2 3.78Å; R717-I736 HydrophobicContact CB-CD1 4.34Å; R717-I736 HydrophobicContact CG-CD1 3.88Å; M732-I736 PolarHBondContact O-N 3.34Å; G733-I736 PolarHBondContact O-N 3.27Å; I736-L740 WeakPolarHBondContact O-CB 3.49Å; I736-L740 PolarHBondContact O-N 2.72Å
737	G	97.3	Very high	95.8	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-60.3	-48.6	176.4	0	0	0	0	0	112.9	G733 A734 L735 R739 L740 V741	G733-G737 PolarHBondContact O-N 3.19Å; A734-G737 PolarHBondContact O-N 3.28Å; L735-G737 VanDerWaalsContact C-N 3.28Å; L735-G737 PolarHBondContact O-N 3.49Å; G737-R739 PolarHBondContact O-N 2.7Å; G737-L740 PolarHBondContact O-N 3.1Å; G737-V741 WeakPolarHBondContact O-CG1 3.11Å; G737-V741 PolarHBondContact O-N 3.06Å
738	A	97.5	Very high	95.6	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-59.1	-46.7	178.4	0	0	0	0	0	112.1	A734 L735 V741 S742 I786 L789 T790 W795	A734-A738 PolarHBondContact O-N 2.69Å; L735-A738 PolarHBondContact O-N 2.95Å; A738-V741 WeakPolarHBondContact O-CG1 3.11Å; A738-S742 WeakPolarHBondContact O-CB 3.36Å; A738-S742 PolarHBondContact O-N 3.49Å; A738-I786 HydrophobicContact CB-CB 4.4Å; A738-I786 HydrophobicContact CB-CG1 4.12Å; A738-I786 HydrophobicContact CB-CG2 4.22Å; A738-L789 HydrophobicContact CB-CB 4.15Å; A738-L789 HydrophobicContact CB-CD1 4.25Å; A738-T790 HydrophobicContact CB-CG2 4.03Å; A738-W795 HydrophobicContact CB-CZ2 4.26Å
739	R	96.1	Very high	95.5	Very high	34 Å²	34	20.3 Å²	20.3	13%	0.128	10%	0.096	C	C	.	.	H	α-helix	trans	-63.2	-44.3	175.8	-73.4	179.2	172.1	163.6	0.8	112	L275 L277 L735 G737 Y743 E785 L789	L275-R739 PolarHBondContact O-NH1 3.49Å; L277-R739 HydrophobicContact CB-CB 4.39Å; L277-R739 HydrophobicContact CD1-CB 4.02Å; L735-R739 HydrophobicContact CD1-CG 4.41Å; L735-R739 WeakPolarHBondContact O-CG 3.3Å; L735-R739 PolarHBondContact O-N 3.06Å; G737-R739 PolarHBondContact O-N 2.7Å; R739-Y743 VanDerWaalsContact O-CB 3.26Å; R739-Y743 WeakPolarHBondContact O-CB 3.37Å; R739-Y743 PolarHBondContact O-N 2.91Å; R739-E785 IonicContact CZ-OE1 2.8Å; R739-E785 IonicContact CZ-OE2 2.8Å; R739-E785 IonicContact NE-OE1 2.87Å; R739-E785 PolarHBondContact NE-OE1 2.92Å; R739-E785 IonicContact NE-OE2 2.99Å; R739-E785 IonicContact NH2-OE1 2.84Å; R739-E785 PolarHBondContact NH2-OE1 3.41Å; R739-E785 IonicContact NH2-OE2 3.87Å; R739-E785 PolarHBondContact NH2-OE2 2.86Å; R739-L789 HydrophobicContact CB-CD1 4.32Å; R739-L789 HydrophobicContact CG-CD1 3.46Å; R739-L789 VanDerWaalsContact CG-CD1 3.46Å
740	L	95.9	Very high	95.3	Very high	0 Å²	0	21 Å²	21	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-65	-47	-178.7	-177.6	60.2	0	0	0	111.6	L277 V696 A713 K715 I736 G737 Y743 V744	L277-L740 HydrophobicContact CD1-CB 4.42Å; V696-L740 HydrophobicContact CG2-CB 4.39Å; V696-L740 HydrophobicContact CG2-CD2 3.76Å; V696-L740 HydrophobicContact CG2-CG 3.73Å; A713-L740 HydrophobicContact CB-CD1 4.23Å; K715-L740 HydrophobicContact CB-CD2 4.32Å; K715-L740 HydrophobicContact CG-CD1 3.96Å; K715-L740 HydrophobicContact CG-CD2 4.07Å; I736-L740 WeakPolarHBondContact O-CB 3.49Å; I736-L740 PolarHBondContact O-N 2.72Å; G737-L740 PolarHBondContact O-N 3.1Å; L740-Y743 PolarHBondContact O-N 3.45Å; L740-V744 HydrophobicContact CD1-CG2 4.12Å; L740-V744 HydrophobicContact CG-CG2 4.39Å; L740-V744 VanDerWaalsContact O-CB 3.3Å; L740-V744 WeakPolarHBondContact O-CB 3.47Å; L740-V744 WeakPolarHBondContact O-CG2 3.26Å; L740-V744 PolarHBondContact O-N 3.46Å
741	V	97	Very high	95.2	Very high	3 Å²	3	28.5 Å²	28.5	2%	0.018	13%	0.134	C	C	.	.	H	α-helix	trans	-69.1	-38.2	-178.7	74.8	0	0	0	0	112.1	L681 V683 V696 G737 A738 V744 K745 V755 T790	L681-V741 HydrophobicContact CB-CG2 4.05Å; L681-V741 HydrophobicContact CD1-CG2 4.08Å; V683-V741 HydrophobicContact CB-CB 4.12Å; V683-V741 HydrophobicContact CB-CG2 4.35Å; V683-V741 HydrophobicContact CG1-CB 4.16Å; V683-V741 HydrophobicContact CG1-CG1 4.12Å; V683-V741 HydrophobicContact CG1-CG2 4.41Å; V696-V741 HydrophobicContact CG1-CG2 4.41Å; V696-V741 HydrophobicContact CG2-CB 4.24Å; G737-V741 WeakPolarHBondContact O-CG1 3.11Å; G737-V741 PolarHBondContact O-N 3.06Å; A738-V741 WeakPolarHBondContact O-CG1 3.11Å; V741-V744 PolarHBondContact O-N 3.42Å; V741-K745 VanDerWaalsContact O-CB 3.27Å; V741-K745 WeakPolarHBondContact O-CB 3Å; V741-K745 PolarHBondContact O-N 3.48Å; V741-V755 HydrophobicContact CG1-CG1 4.3Å; V741-V755 HydrophobicContact CG2-CG1 3.73Å; V741-T790 HydrophobicContact CG1-CG2 3.72Å
742	S	96	Very high	95.1	Very high	30 Å²	30	29.8 Å²	29.8	21%	0.21	14%	0.141	C	C	.	.	H	α-helix	trans	-60.7	-50	174.7	-179.4	0	0	0	0	111	A738 K745 E746	A738-S742 WeakPolarHBondContact O-CB 3.36Å; A738-S742 PolarHBondContact O-N 3.49Å; S742-K745 PolarHBondContact O-N 3.27Å; S742-E746 PolarHBondContact O-N 2.87Å
743	Y	95.1	Very high	95.2	Very high	39 Å²	39	34.6 Å²	34.6	15%	0.153	17%	0.167	C	C	.	.	H	α-helix	trans	-60.3	-47.3	175.6	167.9	-87.5	0	0	0	112	D416 L418 G419 L422 R739 L740 K745 E746 V747	D416-Y743 PolarHBondContact OD2-OH 2.8Å; L418-Y743 HydrophobicContact CB-CE1 4.47Å; L418-Y743 WeakPolarHBondContact CB-OH 3.32Å; L418-Y743 HydrophobicContact CD2-CD1 4.26Å; L418-Y743 HydrophobicContact CD2-CE1 3.45Å; L418-Y743 VanDerWaalsContact CD2-CE1 3.45Å; L418-Y743 HydrophobicContact CG-CE1 3.74Å; L418-Y743 WeakPolarHBondContact CG-OH 3.18Å; G419-Y743 WeakPolarHBondContact CA-OH 3.25Å; G419-Y743 PolarHBondContact N-OH 3.23Å; L422-Y743 HydrophobicContact CD1-CE1 4.01Å; R739-Y743 VanDerWaalsContact O-CB 3.26Å; R739-Y743 WeakPolarHBondContact O-CB 3.37Å; R739-Y743 PolarHBondContact O-N 2.91Å; L740-Y743 PolarHBondContact O-N 3.45Å; Y743-K745 PolarHBondContact O-N 2.97Å; Y743-E746 PolarHBondContact O-N 3.5Å; Y743-V747 HydrophobicContact CD1-CG2 4.23Å; Y743-V747 HydrophobicContact CD2-CG1 3.97Å; Y743-V747 HydrophobicContact CE1-CG1 4.19Å; Y743-V747 HydrophobicContact CE1-CG2 3.67Å; Y743-V747 HydrophobicContact CE2-CG1 3.52Å; Y743-V747 HydrophobicContact CG-CG1 4.49Å; Y743-V747 WeakPolarHBondContact O-CG1 3.44Å; Y743-V747 WeakPolarHBondContact O-CG2 3.36Å; Y743-V747 PolarHBondContact O-N 2.91Å
744	V	95.4	Very high	95.1	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-59.3	-46.9	179.4	163.4	0	0	0	0	111.3	L422 L681 V696 V712 A713 L740 V741 E746 V747 M748	L422-V744 HydrophobicContact CD1-CG2 4.19Å; L681-V744 HydrophobicContact CD1-CG1 4.26Å; L681-V744 HydrophobicContact CD2-CG1 4.29Å; V696-V744 HydrophobicContact CG1-CG1 4.22Å; V712-V744 HydrophobicContact CG1-CG1 3.67Å; V712-V744 HydrophobicContact CG1-CG2 4.29Å; A713-V744 HydrophobicContact CB-CG2 4.38Å; L740-V744 HydrophobicContact CD1-CG2 4.12Å; L740-V744 HydrophobicContact CG-CG2 4.39Å; L740-V744 VanDerWaalsContact O-CB 3.3Å; L740-V744 WeakPolarHBondContact O-CB 3.47Å; L740-V744 WeakPolarHBondContact O-CG2 3.26Å; L740-V744 PolarHBondContact O-N 3.46Å; V741-V744 PolarHBondContact O-N 3.42Å; V744-E746 VanDerWaalsContact C-N 3.28Å; V744-E746 PolarHBondContact O-N 2.89Å; V744-V747 PolarHBondContact O-N 3.37Å; V744-M748 HydrophobicContact CG1-CG 4.23Å; V744-M748 HydrophobicContact CG1-SD 3.42Å; V744-M748 WeakPolarHBondContact CG1-SD 3.44Å; V744-M748 VanDerWaalsContact O-CB 3.25Å; V744-M748 WeakPolarHBondContact O-CB 3.49Å; V744-M748 WeakPolarHBondContact O-CG 3.47Å; V744-M748 PolarHBondContact O-N 3.48Å
745	K	95.6	Very high	95.1	Very high	108 Å²	108	37.7 Å²	37.7	47%	0.47	19%	0.189	S	C	.	.	H	α-helix	trans	-57.5	-42	178.8	-178	178.3	177.7	178.9	0	111.5	L681 V741 S742 Y743 I752 V755	L681-K745 HydrophobicContact CD1-CB 3.89Å; L681-K745 HydrophobicContact CD1-CG 4.42Å; V741-K745 VanDerWaalsContact O-CB 3.27Å; V741-K745 WeakPolarHBondContact O-CB 3Å; V741-K745 PolarHBondContact O-N 3.48Å; S742-K745 PolarHBondContact O-N 3.27Å; Y743-K745 PolarHBondContact O-N 2.97Å; K745-I752 HydrophobicContact CG-CG1 4.34Å; K745-V755 HydrophobicContact CD-CG2 4.12Å
746	E	93.8	Very high	95.2	Very high	96 Å²	96	38.4 Å²	38.4	45%	0.449	19%	0.192	S	C	.	.	H	α-helix	trans	-71.3	-51.4	179.8	-179.4	174.7	-178.2	0	0	112.5	K279 S742 Y743 V744 M748	K279-E746 WeakPolarHBondContact CE-OE2 3.45Å; K279-E746 IonicContact NZ-OE1 3.89Å; K279-E746 PolarHBondContact NZ-OE1 2.86Å; K279-E746 IonicContact NZ-OE2 2.73Å; K279-E746 PolarHBondContact NZ-OE2 2.89Å; S742-E746 PolarHBondContact O-N 2.87Å; Y743-E746 PolarHBondContact O-N 3.5Å; V744-E746 VanDerWaalsContact C-N 3.28Å; V744-E746 PolarHBondContact O-N 2.89Å; E746-M748 PolarHBondContact O-N 3.02Å
747	V	92.8	Very high	95.3	Very high	20 Å²	20	37.9 Å²	37.9	12%	0.121	19%	0.189	C	C	.	.	H	α-helix	trans	-77.7	-24.5	-171	-58	0	0	0	0	114.2	L422 R423 Y743 V744 E749	L422-V747 HydrophobicContact CB-CG2 4.35Å; L422-V747 HydrophobicContact CD1-CG2 3.47Å; L422-V747 VanDerWaalsContact CD1-CG2 3.47Å; R423-V747 VanDerWaalsContact CG-O 3.25Å; R423-V747 WeakPolarHBondContact CG-O 3.5Å; R423-V747 PolarHBondContact NH1-O 3.4Å; Y743-V747 HydrophobicContact CD1-CG2 4.23Å; Y743-V747 HydrophobicContact CD2-CG1 3.97Å; Y743-V747 HydrophobicContact CE1-CG1 4.19Å; Y743-V747 HydrophobicContact CE1-CG2 3.67Å; Y743-V747 HydrophobicContact CE2-CG1 3.52Å; Y743-V747 HydrophobicContact CG-CG1 4.49Å; Y743-V747 WeakPolarHBondContact O-CG1 3.44Å; Y743-V747 WeakPolarHBondContact O-CG2 3.36Å; Y743-V747 PolarHBondContact O-N 2.91Å; V744-V747 PolarHBondContact O-N 3.37Å; V747-E749 PolarHBondContact O-N 2.87Å
748	M	91.3	Very high	95.3	Very high	1 Å²	1	37.9 Å²	37.9	1%	0.005	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-21.1	178.6	-81.8	-178.5	48	0	0	112.6	L422 R426 L668 L698 V712 V744 E746 L750	L422-M748 HydrophobicContact CB-CG 3.93Å; L422-M748 HydrophobicContact CD1-CG 4.47Å; L422-M748 HydrophobicContact CD2-CG 4.46Å; L422-M748 HydrophobicContact CD2-SD 4.43Å; R426-M748 WeakPolarHBondContact CD-O 3.35Å; L668-M748 HydrophobicContact CD1-CE 3.44Å; L668-M748 VanDerWaalsContact CD1-CE 3.44Å; L668-M748 HydrophobicContact CD1-SD 3.95Å; L698-M748 HydrophobicContact CD2-CE 4.43Å; V712-M748 HydrophobicContact CG1-SD 3.56Å; V712-M748 VanDerWaalsContact CG1-SD 3.56Å; V744-M748 HydrophobicContact CG1-CG 4.23Å; V744-M748 HydrophobicContact CG1-SD 3.42Å; V744-M748 WeakPolarHBondContact CG1-SD 3.44Å; V744-M748 VanDerWaalsContact O-CB 3.25Å; V744-M748 WeakPolarHBondContact O-CB 3.49Å; V744-M748 WeakPolarHBondContact O-CG 3.47Å; V744-M748 PolarHBondContact O-N 3.48Å; E746-M748 PolarHBondContact O-N 3.02Å; M748-L750 HydrophobicContact CB-CG 4.41Å; M748-L750 HydrophobicContact CE-CD1 3.37Å; M748-L750 HydrophobicContact CE-CG 4.08Å; M748-L750 PolarHBondContact O-N 3.06Å; M748-L750 VanDerWaalsContact O-N 3.1Å
749	E	91.6	Very high	95.3	Very high	64 Å²	64	37.9 Å²	37.9	30%	0.299	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	47.5	43.8	-179.5	-61	176.3	174.3	0	0	111.5	R426 H504 V747	R426-E749 IonicContact NH1-OE2 3.82Å; R426-E749 PolarHBondContact NH1-OE2 3.31Å; H504-E749 IonicContact CD2-OE2 3.9Å; H504-E749 IonicContact CE1-OE1 2.92Å; H504-E749 PolarHBondContact CE1-OE1 3.1Å; H504-E749 IonicContact CE1-OE2 2.75Å; H504-E749 IonicContact NE2-OE1 3.97Å; H504-E749 PolarHBondContact NE2-OE1 3.39Å; H504-E749 IonicContact NE2-OE2 3.27Å; H504-E749 PolarHBondContact NE2-OE2 2.85Å; V747-E749 PolarHBondContact O-N 2.87Å
750	L	92.6	Very high	95.3	Very high	20 Å²	20	38.3 Å²	38.3	11%	0.105	19%	0.194	C	C	.	.			trans	-110.7	143.2	169.6	-67.1	-173.5	0	0	0	108	R426 F427 I669 L698 M748 I752	R426-L750 HydrophobicContact CB-CD2 4.32Å; R426-L750 HydrophobicContact CG-CD2 4.11Å; R426-L750 HydrophobicContact CG-CG 4.33Å; F427-L750 HydrophobicContact CE1-CD2 4Å; F427-L750 HydrophobicContact CZ-CD2 3.87Å; I669-L750 HydrophobicContact CD1-CD1 4.15Å; I669-L750 HydrophobicContact CD1-CD2 4.45Å; L698-L750 HydrophobicContact CD2-CD1 4.36Å; M748-L750 HydrophobicContact CB-CG 4.41Å; M748-L750 HydrophobicContact CE-CD1 3.37Å; M748-L750 HydrophobicContact CE-CG 4.08Å; M748-L750 PolarHBondContact O-N 3.06Å; M748-L750 VanDerWaalsContact O-N 3.1Å; L750-I752 HydrophobicContact CB-CD1 4.04Å; L750-I752 PolarHBondContact O-N 2.65Å; L750-I752 VanDerWaalsContact O-N 3.15Å
751	E	93.8	Very high	95.3	Very high	171 Å²	171	39 Å²	39	80%	0.799	20%	0.199	S	C	*	.			trans	-67.4	110.7	167.5	-66.5	174.5	172.3	0	0	108.3
752	I	96.1	Very high	95.2	Very high	26 Å²	26	46 Å²	46	13%	0.133	23%	0.229	C	C	.	.			trans	-104.7	120.2	179.2	-59.3	-54.7	0	0	0	108.2	K679 L681 L698 K745 L750 A754 V755	K679-I752 HydrophobicContact CB-CD1 4.28Å; L681-I752 HydrophobicContact CB-CG2 4.37Å; L681-I752 HydrophobicContact CD1-CD1 4.32Å; L681-I752 HydrophobicContact CD1-CG1 4.01Å; L681-I752 HydrophobicContact CD1-CG2 4.11Å; L681-I752 HydrophobicContact CD2-CD1 4.44Å; L681-I752 HydrophobicContact CG-CD1 4.06Å; L681-I752 HydrophobicContact CG-CG1 4.2Å; L681-I752 HydrophobicContact CG-CG2 3.9Å; L698-I752 HydrophobicContact CD1-CD1 4.04Å; K745-I752 HydrophobicContact CG-CG1 4.34Å; L750-I752 HydrophobicContact CB-CD1 4.04Å; L750-I752 PolarHBondContact O-N 2.65Å; L750-I752 VanDerWaalsContact O-N 3.15Å; I752-A754 WeakPolarHBondContact CG2-O 3.28Å; I752-V755 HydrophobicContact CG2-CG2 4.25Å
753	D	96.3	Very high	95.2	Very high	102 Å²	102	47.7 Å²	47.7	55%	0.545	24%	0.238	S	C	.	.			trans	-74.3	-43.2	-177.3	-61.6	-73.8	0	0	0	111.5	T678 K679	T678-D753 WeakPolarHBondContact CA-OD2 3.1Å; K679-D753 PolarHBondContact N-OD2 3.19Å; K679-D753 PolarHBondContact O-N 2.99Å
754	A	95.7	Very high	95.3	Very high	31 Å²	31	45.9 Å²	45.9	26%	0.256	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	155.1	-178.6	0	0	0	0	0	113.4	D680 L681 I752 H756	D680-A754 CarbonylContact C-O 3.4Å; D680-A754 WeakPolarHBondContact CA-O 3.44Å; D680-A754 HydrophobicContact CB-CB 4.38Å; L681-A754 PolarHBondContact N-O 3.2Å; I752-A754 WeakPolarHBondContact CG2-O 3.28Å; A754-H756 WeakPolarHBondContact CB-NE2 3.14Å
755	V	97.2	Very high	95.3	Very high	34 Å²	34	47.1 Å²	47.1	21%	0.206	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	126.9	170.2	-178.9	0	0	0	0	108.1	L681 V741 K745 I752 S794	L681-V755 HydrophobicContact CB-CG2 4.37Å; L681-V755 CarbonylContact O-C 3.54Å; L681-V755 WeakPolarHBondContact O-CA 3.49Å; V741-V755 HydrophobicContact CG1-CG1 4.3Å; V741-V755 HydrophobicContact CG2-CG1 3.73Å; K745-V755 HydrophobicContact CD-CG2 4.12Å; I752-V755 HydrophobicContact CG2-CG2 4.25Å; V755-S794 VanDerWaalsContact O-CB 3.31Å; V755-S794 WeakPolarHBondContact O-CB 3.22Å
756	H	96.8	Very high	95.3	Very high	17 Å²	17	44.8 Å²	44.8	8%	0.079	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	124.9	178.2	-57.3	-77.9	0	0	0	110	L681 H682 V683 A754 W758 W837	L681-H756 PolarHBondContact O-N 3.12Å; H682-H756 CarbonylContact C-O 3.56Å; H682-H756 WeakPolarHBondContact CA-O 3.09Å; H682-H756 AromaticContact CE1-CD2 3.51Å; H682-H756 AromaticContact CE1-CG 3.88Å; H682-H756 AromaticContact NE2-CD2 3.55Å; V683-H756 PolarHBondContact N-O 3.06Å; A754-H756 WeakPolarHBondContact CB-NE2 3.14Å; H756-W758 HydrophobicContact CB-CZ2 4.18Å; H756-W837 AromaticContact CE1-CH2 3.91Å; H756-W837 AromaticContact CE1-CZ3 3.62Å; H756-W837 AromaticContact ND1-CZ3 3.91Å; H756-W837 AromaticContact NE2-CH2 3.67Å; H756-W837 AromaticContact NE2-CZ3 3.84Å
757	C	97.8	Very high	95.4	Very high	0 Å²	0	42 Å²	42	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	135.3	-179.4	-53.1	0	0	0	0	110.2	V683 S794 W795 R796	V683-C757 HydrophobicContact CG1-CB 3.72Å; V683-C757 WeakPolarHBondContact CG1-SG 3.35Å; V683-C757 CarbonylContact O-C 3.55Å; V683-C757 WeakPolarHBondContact O-CA 3.39Å; C757-S794 PolarHBondContact N-O 3.28Å; C757-S794 PolarHBondContact SG-OG 2.89Å; C757-W795 HydrophobicContact CB-CB 4.46Å; C757-W795 HydrophobicContact CB-CD2 3.4Å; C757-W795 VanDerWaalsContact CB-CD2 3.4Å; C757-W795 HydrophobicContact CB-CE3 3.66Å; C757-W795 HydrophobicContact CB-CG 3.8Å; C757-W795 HydrophobicContact CB-CH2 4.12Å; C757-W795 HydrophobicContact CB-CZ2 3.92Å; C757-W795 HydrophobicContact CB-CZ3 4.01Å; C757-W795 CarbonylContact O-C 3.59Å; C757-W795 WeakPolarHBondContact O-CA 3.24Å; C757-R796 PolarHBondContact O-N 2.79Å
758	W	97.5	Very high	95.5	Very high	0 Å²	0	41 Å²	41	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	133.6	-172.6	-54.1	88.7	0	0	0	111.1	H682 V683 F684 T685 H756 R796 C798 L830 W837 P838	H682-W758 AromaticContact CG-NE1 3.98Å; H682-W758 AromaticContact ND1-CE2 3.88Å; H682-W758 AromaticContact ND1-CZ2 4Å; H682-W758 AromaticContact ND1-NE1 3.22Å; H682-W758 PolarHBondContact ND1-NE1 2.87Å; V683-W758 PolarHBondContact O-N 3.22Å; F684-W758 HydrophobicContact CD1-CB 3.44Å; F684-W758 VanDerWaalsContact CD1-CB 3.44Å; F684-W758 AromaticContact CD1-CG 3.93Å; F684-W758 HydrophobicContact CD1-CG 3.93Å; F684-W758 HydrophobicContact CE1-CB 3.63Å; F684-W758 AromaticContact CE1-CD1 3.92Å; F684-W758 HydrophobicContact CE1-CD2 4.25Å; F684-W758 AromaticContact CE1-CG 3.64Å; F684-W758 HydrophobicContact CE1-CG 3.64Å; F684-W758 AromaticContact CE2-CD1 3.97Å; F684-W758 HydrophobicContact CE2-CG 4.5Å; F684-W758 HydrophobicContact CG-CB 4.07Å; F684-W758 HydrophobicContact CG-CG 4.48Å; F684-W758 HydrophobicContact CZ-CB 4.38Å; F684-W758 AromaticContact CZ-CD1 3.79Å; F684-W758 HydrophobicContact CZ-CD2 4.46Å; F684-W758 AromaticContact CZ-CG 3.96Å; F684-W758 HydrophobicContact CZ-CG 3.96Å; T685-W758 PolarHBondContact N-O 3.21Å; T685-W758 PolarHBondContact OG1-O 2.77Å; H756-W758 HydrophobicContact CB-CZ2 4.18Å; W758-R796 WeakPolarHBondContact CA-O 3.45Å; W758-R796 HydrophobicContact CD2-CB 4.3Å; W758-R796 HydrophobicContact CE3-CB 3.62Å; W758-R796 HydrophobicContact CH2-CB 4.25Å; W758-R796 HydrophobicContact CZ3-CB 3.59Å; W758-R796 HydrophobicContact CZ3-CG 4.35Å; W758-C798 HydrophobicContact CB-CB 4.24Å; W758-C798 HydrophobicContact CE3-CB 4.04Å; W758-L830 HydrophobicContact CZ2-CD2 4.2Å; W758-W837 HydrophobicContact CH2-CB 4.22Å; W758-W837 HydrophobicContact CH2-CE3 4.15Å; W758-W837 HydrophobicContact CZ2-CE3 4.12Å; W758-P838 HydrophobicContact CE3-CB 4.32Å; W758-P838 HydrophobicContact CE3-CG 4.45Å; W758-P838 HydrophobicContact CZ3-CB 3.85Å; W758-P838 HydrophobicContact CZ3-CG 4.08Å
759	T	97.1	Very high	95.6	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	145.4	171	179.7	0	0	0	0	109.2	S761 L765 W795 R796 H797 C798	T759-S761 VanDerWaalsContact C-N 3.31Å; T759-S761 PolarHBondContact OG1-N 3.04Å; T759-S761 VanDerWaalsContact OG1-N 3.14Å; T759-L765 HydrophobicContact CG2-CB 3.92Å; T759-L765 HydrophobicContact CG2-CD1 4.42Å; T759-W795 HydrophobicContact CG2-CE3 4.34Å; T759-R796 PolarHBondContact N-O 3.39Å; T759-R796 VanDerWaalsContact N-O 3.12Å; T759-H797 CarbonylContact O-C 3.35Å; T759-H797 VanDerWaalsContact O-CA 3.24Å; T759-H797 WeakPolarHBondContact O-CA 3.48Å; T759-C798 PolarHBondContact O-N 3.47Å
760	D	95.6	Very high	95.6	Very high	42 Å²	42	42.3 Å²	42.3	23%	0.225	23%	0.233	C	C	.	.	S	Bend	trans	-87.6	-3.9	170.7	66.8	-18.3	0	0	0	112.8	K762 C798 G800	D760-K762 PolarHBondContact O-N 3.48Å; D760-C798 WeakPolarHBondContact CA-O 3.5Å; D760-C798 WeakPolarHBondContact CB-O 3.42Å; D760-G800 WeakPolarHBondContact OD2-CA 3.25Å
761	S	96.5	Very high	95.3	Very high	15 Å²	15	46.4 Å²	46.4	11%	0.105	26%	0.259	C	S	.	.			trans	-88.7	100.7	175.7	-175.6	0	0	0	0	111.9	T759 V763 A764 L765	T759-S761 VanDerWaalsContact C-N 3.31Å; T759-S761 PolarHBondContact OG1-N 3.04Å; T759-S761 VanDerWaalsContact OG1-N 3.14Å; S761-V763 PolarHBondContact O-N 3.14Å; S761-A764 PolarHBondContact O-N 2.92Å; S761-A764 PolarHBondContact OG-N 3Å; S761-L765 WeakPolarHBondContact O-CB 3.4Å; S761-L765 PolarHBondContact O-N 3.12Å
762	K	95.5	Very high	94.7	Very high	149 Å²	149	39 Å²	39	65%	0.648	23%	0.225	S	C	*	.	H	α-helix	trans	-57.4	-28.7	170.8	-68.7	-174	178.1	-178	0	113.1	D760 A766	D760-K762 PolarHBondContact O-N 3.48Å; K762-A766 VanDerWaalsContact O-CB 3.26Å; K762-A766 WeakPolarHBondContact O-CB 3.34Å; K762-A766 PolarHBondContact O-N 3.14Å
763	V	95.7	Very high	93.9	Very high	67 Å²	67	46.4 Å²	46.4	41%	0.406	26%	0.256	S	S	.	.	H	α-helix	trans	-72.2	-47.7	178	-179.1	0	0	0	0	110.8	P727 S761 L765 A766 W767	P727-V763 HydrophobicContact CB-CB 4.36Å; P727-V763 HydrophobicContact CB-CG1 3.85Å; P727-V763 HydrophobicContact CG-CG1 4.34Å; S761-V763 PolarHBondContact O-N 3.14Å; V763-L765 VanDerWaalsContact C-N 3.34Å; V763-A766 PolarHBondContact O-N 3.17Å; V763-W767 HydrophobicContact CG1-CD2 4.15Å; V763-W767 HydrophobicContact CG1-CE3 4.36Å; V763-W767 HydrophobicContact CG1-CH2 3.99Å; V763-W767 HydrophobicContact CG1-CZ2 3.7Å; V763-W767 HydrophobicContact CG1-CZ3 4.3Å; V763-W767 PolarHBondContact O-N 2.95Å
764	A	95.7	Very high	93.3	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-63	-43.4	175.9	0	0	0	0	0	110.9	E730 S761 A766 W767 I768	E730-A764 HydrophobicContact CB-CB 3.88Å; S761-A764 PolarHBondContact O-N 2.92Å; S761-A764 PolarHBondContact OG-N 3Å; A764-A766 PolarHBondContact O-N 2.92Å; A764-W767 WeakPolarHBondContact O-CB 3.44Å; A764-W767 PolarHBondContact O-N 3.16Å; A764-I768 WeakPolarHBondContact O-CD1 3.38Å; A764-I768 VanDerWaalsContact O-CG1 3.23Å; A764-I768 WeakPolarHBondContact O-CG1 3.34Å; A764-I768 PolarHBondContact O-N 3.22Å
765	L	96.4	Very high	92.9	Very high	27 Å²	27	50.1 Å²	50.1	14%	0.141	26%	0.262	C	S	.	.	H	α-helix	trans	-56.4	-49	174.6	-176.3	62.3	0	0	0	111.8	T759 S761 V763 W767 I768 C769 W795 H797	T759-L765 HydrophobicContact CG2-CB 3.92Å; T759-L765 HydrophobicContact CG2-CD1 4.42Å; S761-L765 WeakPolarHBondContact O-CB 3.4Å; S761-L765 PolarHBondContact O-N 3.12Å; V763-L765 VanDerWaalsContact C-N 3.34Å; L765-W767 VanDerWaalsContact C-N 3.31Å; L765-W767 PolarHBondContact O-N 3.39Å; L765-I768 PolarHBondContact O-N 2.94Å; L765-C769 PolarHBondContact O-N 3.4Å; L765-C769 PolarHBondContact O-SG 3.18Å; L765-C769 VanDerWaalsContact O-SG 3.35Å; L765-W795 HydrophobicContact CD1-CB 3.6Å; L765-H797 HydrophobicContact CD2-CB 3.85Å
766	A	95.2	Very high	92.5	Very high	58 Å²	58	56.2 Å²	56.2	48%	0.479	29%	0.285	S	S	.	.	H	α-helix	trans	-61.2	-38	177.6	0	0	0	0	0	112.6	K762 V763 A764 S770	K762-A766 VanDerWaalsContact O-CB 3.26Å; K762-A766 WeakPolarHBondContact O-CB 3.34Å; K762-A766 PolarHBondContact O-N 3.14Å; V763-A766 PolarHBondContact O-N 3.17Å; A764-A766 PolarHBondContact O-N 2.92Å; A766-S770 WeakPolarHBondContact O-CB 3.5Å; A766-S770 PolarHBondContact O-N 3.23Å; A766-S770 PolarHBondContact O-OG 3.49Å
767	W	96	Very high	92.2	Very high	38 Å²	38	59.9 Å²	59.9	14%	0.144	31%	0.31	C	S	.	.	H	α-helix	trans	-64.2	-47.1	173.5	-70.6	-21.8	0	0	0	111.9	P727 L731 V763 A764 L765 C769 S770 W775 V779 V783	P727-W767 HydrophobicContact CB-CH2 3.51Å; P727-W767 HydrophobicContact CB-CZ2 4.42Å; P727-W767 HydrophobicContact CB-CZ3 3.79Å; P727-W767 VanDerWaalsContact O-CZ3 3.29Å; P727-W767 WeakPolarHBondContact O-CZ3 3.35Å; L731-W767 HydrophobicContact CB-CE3 4.14Å; L731-W767 HydrophobicContact CB-CZ3 4.24Å; L731-W767 HydrophobicContact CD1-CE3 4.49Å; L731-W767 HydrophobicContact CD2-CE3 3.96Å; L731-W767 HydrophobicContact CD2-CZ3 4.29Å; L731-W767 HydrophobicContact CG-CE3 4.43Å; V763-W767 HydrophobicContact CG1-CD2 4.15Å; V763-W767 HydrophobicContact CG1-CE3 4.36Å; V763-W767 HydrophobicContact CG1-CH2 3.99Å; V763-W767 HydrophobicContact CG1-CZ2 3.7Å; V763-W767 HydrophobicContact CG1-CZ3 4.3Å; V763-W767 PolarHBondContact O-N 2.95Å; A764-W767 WeakPolarHBondContact O-CB 3.44Å; A764-W767 PolarHBondContact O-N 3.16Å; L765-W767 VanDerWaalsContact C-N 3.31Å; L765-W767 PolarHBondContact O-N 3.39Å; W767-C769 VanDerWaalsContact C-N 3.35Å; W767-C769 PolarHBondContact O-N 2.91Å; W767-S770 PolarHBondContact O-N 3.27Å; W767-S770 PolarHBondContact O-OG 3.25Å; W767-W775 AromaticContact CD1-CE2 3.56Å; W767-W775 AromaticContact CD1-CH2 3.63Å; W767-W775 AromaticContact CD1-CZ2 3.36Å; W767-W775 AromaticContact NE1-CH2 3.57Å; W767-W775 AromaticContact NE1-CZ2 3.81Å; W767-W775 AromaticContact NE1-CZ3 3.66Å; W767-V779 HydrophobicContact CB-CG1 4.23Å; W767-V779 HydrophobicContact CD2-CG1 3.88Å; W767-V779 HydrophobicContact CE3-CG1 4.14Å; W767-V779 HydrophobicContact CE3-CG2 4.37Å; W767-V779 HydrophobicContact CG-CG1 3.94Å; W767-V779 HydrophobicContact CH2-CG2 4.24Å; W767-V779 HydrophobicContact CZ2-CG2 4.46Å; W767-V779 HydrophobicContact CZ3-CG2 4.19Å; W767-V783 HydrophobicContact CB-CG2 4.02Å; W767-V783 WeakPolarHBondContact O-CG1 3.46Å
768	I	95.8	Very high	91.8	Very high	0 Å²	0	61.9 Å²	61.9	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-63.2	-39.2	-178.9	-66.4	161.9	0	0	0	111.8	L731 A734 A764 L765 S770 I786 Q787 W795	L731-I768 HydrophobicContact CD1-CG1 4.13Å; A734-I768 HydrophobicContact CB-CD1 3.63Å; A764-I768 WeakPolarHBondContact O-CD1 3.38Å; A764-I768 VanDerWaalsContact O-CG1 3.23Å; A764-I768 WeakPolarHBondContact O-CG1 3.34Å; A764-I768 PolarHBondContact O-N 3.22Å; L765-I768 PolarHBondContact O-N 2.94Å; I768-S770 VanDerWaalsContact C-N 3.28Å; I768-S770 PolarHBondContact O-N 3.18Å; I768-I786 HydrophobicContact CD1-CD1 4.22Å; I768-I786 HydrophobicContact CD1-CG2 4.46Å; I768-I786 HydrophobicContact CG1-CD1 4.05Å; I768-I786 HydrophobicContact CG1-CG2 4.21Å; I768-I786 HydrophobicContact CG2-CG2 3.81Å; I768-Q787 PolarHBondContact O-NE2 3.25Å; I768-W795 HydrophobicContact CD1-CD2 3.95Å; I768-W795 HydrophobicContact CD1-CE3 3.76Å; I768-W795 HydrophobicContact CD1-CH2 4.24Å; I768-W795 HydrophobicContact CD1-CZ2 4.39Å; I768-W795 HydrophobicContact CD1-CZ3 3.91Å; I768-W795 HydrophobicContact CG2-CB 4.33Å; I768-W795 HydrophobicContact CG2-CD2 3.95Å; I768-W795 HydrophobicContact CG2-CG 3.69Å
769	C	93.5	Very high	91.6	Very high	70 Å²	70	62.3 Å²	62.3	47%	0.473	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.6	-0.9	179.8	-59.4	0	0	0	0	113.9	L765 W767	L765-C769 PolarHBondContact O-N 3.4Å; L765-C769 PolarHBondContact O-SG 3.18Å; L765-C769 VanDerWaalsContact O-SG 3.35Å; W767-C769 VanDerWaalsContact C-N 3.35Å; W767-C769 PolarHBondContact O-N 2.91Å
770	S	91.1	Very high	91.4	Very high	21 Å²	21	65.7 Å²	65.7	15%	0.147	34%	0.337	C	S	.	.	S	Bend	trans	-100.8	162.6	-175.6	71.2	0	0	0	0	113.7	A766 W767 I768 T772 W775 Q787	A766-S770 WeakPolarHBondContact O-CB 3.5Å; A766-S770 PolarHBondContact O-N 3.23Å; A766-S770 PolarHBondContact O-OG 3.49Å; W767-S770 PolarHBondContact O-N 3.27Å; W767-S770 PolarHBondContact O-OG 3.25Å; I768-S770 VanDerWaalsContact C-N 3.28Å; I768-S770 PolarHBondContact O-N 3.18Å; S770-T772 PolarHBondContact O-N 3.24Å; S770-W775 PolarHBondContact OG-NE1 3.2Å; S770-Q787 PolarHBondContact O-NE2 2.92Å
771	V	87	Confident	91.2	Very high	106 Å²	106	67.9 Å²	67.9	64%	0.642	35%	0.348	S	S	*	.			trans	-69.6	128.7	172.6	-176.1	0	0	0	0	109.9	K773 Q774	V771-K773 PolarHBondContact O-N 3.03Å; V771-Q774 WeakPolarHBondContact O-CG 3.44Å; V771-Q774 PolarHBondContact O-NE2 3.43Å
772	T	81.2	Confident	91.1	Very high	15 Å²	15	68.9 Å²	68.9	9%	0.092	35%	0.35	C	S	.	.	G	3₁₀ helix	trans	-70.5	-26.4	-166.9	67.4	0	0	0	0	114.8	S770 Q774 W775 V783 E784 Q787	S770-T772 PolarHBondContact O-N 3.24Å; T772-Q774 PolarHBondContact O-N 2.95Å; T772-W775 PolarHBondContact O-N 3.01Å; T772-W775 VanDerWaalsContact O-N 3.11Å; T772-V783 HydrophobicContact CG2-CB 4.23Å; T772-V783 HydrophobicContact CG2-CG1 3.64Å; T772-E784 HydrophobicContact CG2-CG 3.57Å; T772-E784 PolarHBondContact OG1-OE1 3.02Å; T772-Q787 VanDerWaalsContact CG2-OE1 3.26Å
773	K	78.4	Confident	91.1	Very high	183 Å²	183	61.8 Å²	61.8	80%	0.796	32%	0.319	S	S	*	.	G	3₁₀ helix	trans	-57.4	-24.4	-172.6	-69.2	-178	179.7	176.8	0	114.6	V771	V771-K773 PolarHBondContact O-N 3.03Å
774	Q	82.9	Confident	91	Very high	126 Å²	126	62.1 Å²	62.1	59%	0.589	32%	0.316	S	S	*	.	G	3₁₀ helix	trans	-82.2	-13.3	-177.3	69	-167.1	-10.1	0	0	114.1	V771 T772	V771-Q774 WeakPolarHBondContact O-CG 3.44Å; V771-Q774 PolarHBondContact O-NE2 3.43Å; T772-Q774 PolarHBondContact O-N 2.95Å
775	W	87.6	Confident	91	Very high	85 Å²	85	64.9 Å²	64.9	32%	0.322	33%	0.329	S	S	.	.	S	Bend	trans	-96.7	153.5	-172.1	-58.3	119.5	0	0	0	113.7	W767 S770 T772 V779 K780	W767-W775 AromaticContact CD1-CE2 3.56Å; W767-W775 AromaticContact CD1-CH2 3.63Å; W767-W775 AromaticContact CD1-CZ2 3.36Å; W767-W775 AromaticContact NE1-CH2 3.57Å; W767-W775 AromaticContact NE1-CZ2 3.81Å; W767-W775 AromaticContact NE1-CZ3 3.66Å; S770-W775 PolarHBondContact OG-NE1 3.2Å; T772-W775 PolarHBondContact O-N 3.01Å; T772-W775 VanDerWaalsContact O-N 3.11Å; W775-V779 HydrophobicContact CB-CB 4Å; W775-V779 HydrophobicContact CB-CG1 3.85Å; W775-V779 HydrophobicContact CD2-CG1 4.29Å; W775-V779 HydrophobicContact CG-CB 4.47Å; W775-V779 HydrophobicContact CG-CG1 3.81Å; W775-K780 HydrophobicContact CB-CB 4.28Å
776	K	89.2	Confident	91	Very high	161 Å²	161	63.6 Å²	63.6	70%	0.7	32%	0.322	S	S	*	.			trans	-63.1	154	172.4	-66.3	-174.6	-179.8	-178.4	0	110.7	F778 V779 K780	K776-F778 VanDerWaalsContact C-N 3.26Å; K776-F778 PolarHBondContact O-N 3.33Å; K776-V779 PolarHBondContact O-N 3.29Å; K776-K780 WeakPolarHBondContact O-CB 3.36Å; K776-K780 PolarHBondContact O-N 2.74Å
777	P	90.3	Very high	91	Very high	94 Å²	94	63.5 Å²	63.5	61%	0.61	31%	0.312	S	S	*	.	H	α-helix	trans	-49.6	-38.4	-171	-31.1	35.4	0	0	0	115.6	N781	P777-N781 WeakPolarHBondContact O-CB 3.43Å; P777-N781 PolarHBondContact O-N 2.69Å; P777-N781 PolarHBondContact O-OD1 3.38Å
778	F	90.3	Very high	91	Very high	42 Å²	42	66.1 Å²	66.1	18%	0.184	34%	0.336	C	S	.	.	H	α-helix	trans	-57.6	-54	177.9	-177.8	-84.3	0	0	0	112.1	L724 R728 M732 K776 R782	L724-F778 HydrophobicContact CD1-CE2 4.49Å; L724-F778 HydrophobicContact CD1-CZ 4.13Å; L724-F778 HydrophobicContact CD2-CE2 4.45Å; R728-F778 HydrophobicContact CB-CD1 4.49Å; R728-F778 HydrophobicContact CB-CE1 3.69Å; R728-F778 HydrophobicContact CB-CZ 4.19Å; R728-F778 HydrophobicContact CG-CD1 3.94Å; R728-F778 HydrophobicContact CG-CE1 3.63Å; R728-F778 HydrophobicContact CG-CZ 4.45Å; M732-F778 HydrophobicContact CG-CZ 4.18Å; M732-F778 HydrophobicContact SD-CZ 3.92Å; K776-F778 VanDerWaalsContact C-N 3.26Å; K776-F778 PolarHBondContact O-N 3.33Å; F778-R782 VanDerWaalsContact CD2-CZ 3.46Å; F778-R782 VanDerWaalsContact CZ-NE 3.27Å; F778-R782 WeakPolarHBondContact O-CD 3.38Å; F778-R782 WeakPolarHBondContact O-CG 3.03Å; F778-R782 PolarHBondContact O-NH1 3.38Å
779	V	92.8	Very high	91	Very high	9 Å²	9	68.7 Å²	68.7	6%	0.055	35%	0.349	C	S	.	.	H	α-helix	trans	-72.2	-45.9	-177.9	173	0	0	0	0	109.6	L731 W767 W775 K776 N781 R782 V783	L731-V779 HydrophobicContact CD2-CB 4.14Å; L731-V779 HydrophobicContact CD2-CG1 3.93Å; L731-V779 HydrophobicContact CD2-CG2 4.11Å; W767-V779 HydrophobicContact CB-CG1 4.23Å; W767-V779 HydrophobicContact CD2-CG1 3.88Å; W767-V779 HydrophobicContact CE3-CG1 4.14Å; W767-V779 HydrophobicContact CE3-CG2 4.37Å; W767-V779 HydrophobicContact CG-CG1 3.94Å; W767-V779 HydrophobicContact CH2-CG2 4.24Å; W767-V779 HydrophobicContact CZ2-CG2 4.46Å; W767-V779 HydrophobicContact CZ3-CG2 4.19Å; W775-V779 HydrophobicContact CB-CB 4Å; W775-V779 HydrophobicContact CB-CG1 3.85Å; W775-V779 HydrophobicContact CD2-CG1 4.29Å; W775-V779 HydrophobicContact CG-CB 4.47Å; W775-V779 HydrophobicContact CG-CG1 3.81Å; K776-V779 PolarHBondContact O-N 3.29Å; V779-N781 PolarHBondContact O-N 2.8Å; V779-R782 PolarHBondContact O-N 3.25Å; V779-V783 HydrophobicContact CG1-CG2 3.97Å; V779-V783 WeakPolarHBondContact O-CG2 3.44Å; V779-V783 PolarHBondContact O-N 3.08Å
780	K	92.6	Very high	91.1	Very high	71 Å²	71	65.9 Å²	65.9	31%	0.309	33%	0.33	S	S	.	.	H	α-helix	trans	-50.9	-58.1	179.3	179.4	-176.2	172.2	-171.4	0	111.8	W775 K776 R782 V783 E784	W775-K780 HydrophobicContact CB-CB 4.28Å; K776-K780 WeakPolarHBondContact O-CB 3.36Å; K776-K780 PolarHBondContact O-N 2.74Å; K780-R782 VanDerWaalsContact C-N 3.25Å; K780-R782 PolarHBondContact O-N 2.98Å; K780-V783 PolarHBondContact O-N 3.17Å; K780-E784 WeakPolarHBondContact CE-OE1 3.38Å; K780-E784 HydrophobicContact CG-CG 4.38Å; K780-E784 IonicContact NZ-OE1 3.05Å; K780-E784 WeakPolarHBondContact O-CB 3.26Å; K780-E784 WeakPolarHBondContact O-CG 3.47Å; K780-E784 PolarHBondContact O-N 2.96Å
781	N	92.4	Very high	91.3	Very high	89 Å²	89	71.4 Å²	71.4	48%	0.476	35%	0.354	S	S	.	.	H	α-helix	trans	-62.5	-34.4	-174.1	-62.9	5.1	0	0	0	112.3	P777 V779 E785	P777-N781 WeakPolarHBondContact O-CB 3.43Å; P777-N781 PolarHBondContact O-N 2.69Å; P777-N781 PolarHBondContact O-OD1 3.38Å; V779-N781 PolarHBondContact O-N 2.8Å; N781-E785 PolarHBondContact O-N 3.11Å
782	R	93.7	Very high	91.6	Very high	36 Å²	36	68 Å²	68	14%	0.136	33%	0.334	C	S	.	.	H	α-helix	trans	-76.7	-38.6	-179	-69.3	162.5	178.2	60.9	9.1	111.7	V272 L731 M732 L735 F778 V779 K780 E785 I786	V272-R782 VanDerWaalsContact CG1-NH2 3.31Å; L731-R782 HydrophobicContact CD2-CB 3.99Å; L731-R782 HydrophobicContact CG-CB 4.2Å; M732-R782 HydrophobicContact CE-CG 3.97Å; M732-R782 PolarHBondContact SD-NE 3.27Å; L735-R782 HydrophobicContact CD2-CG 4.15Å; F778-R782 VanDerWaalsContact CD2-CZ 3.46Å; F778-R782 VanDerWaalsContact CZ-NE 3.27Å; F778-R782 WeakPolarHBondContact O-CD 3.38Å; F778-R782 WeakPolarHBondContact O-CG 3.03Å; F778-R782 PolarHBondContact O-NH1 3.38Å; V779-R782 PolarHBondContact O-N 3.25Å; K780-R782 VanDerWaalsContact C-N 3.25Å; K780-R782 PolarHBondContact O-N 2.98Å; R782-E785 PolarHBondContact O-N 2.73Å; R782-I786 WeakPolarHBondContact O-CD1 3.33Å; R782-I786 VanDerWaalsContact O-CG1 3.25Å; R782-I786 WeakPolarHBondContact O-CG1 3.25Å; R782-I786 PolarHBondContact O-N 3.15Å
783	V	95.5	Very high	92.2	Very high	0 Å²	0	74.6 Å²	74.6	0%	0	37%	0.368	C	S	.	.	H	α-helix	trans	-66.7	-44.7	172.9	174.1	0	0	0	0	110.4	L731 W767 T772 V779 K780 E785 I786 Q787	L731-V783 HydrophobicContact CD1-CG2 3.88Å; L731-V783 HydrophobicContact CD2-CG2 4.38Å; W767-V783 HydrophobicContact CB-CG2 4.02Å; W767-V783 WeakPolarHBondContact O-CG1 3.46Å; T772-V783 HydrophobicContact CG2-CB 4.23Å; T772-V783 HydrophobicContact CG2-CG1 3.64Å; V779-V783 HydrophobicContact CG1-CG2 3.97Å; V779-V783 WeakPolarHBondContact O-CG2 3.44Å; V779-V783 PolarHBondContact O-N 3.08Å; K780-V783 PolarHBondContact O-N 3.17Å; V783-E785 PolarHBondContact O-N 3.27Å; V783-I786 PolarHBondContact O-N 2.99Å; V783-I786 VanDerWaalsContact O-N 3.14Å; V783-Q787 HydrophobicContact CG1-CG 4.03Å; V783-Q787 WeakPolarHBondContact O-CB 3.39Å; V783-Q787 VanDerWaalsContact O-CG 3.24Å; V783-Q787 WeakPolarHBondContact O-CG 3.36Å; V783-Q787 PolarHBondContact O-N 3.41Å
784	E	94.5	Very high	93	Very high	73 Å²	73	66.6 Å²	66.6	34%	0.341	34%	0.335	S	S	.	.	H	α-helix	trans	-56.2	-40	176.8	-74.6	176.8	166.1	0	0	111.6	T772 K780 S788	T772-E784 HydrophobicContact CG2-CG 3.57Å; T772-E784 PolarHBondContact OG1-OE1 3.02Å; K780-E784 WeakPolarHBondContact CE-OE1 3.38Å; K780-E784 HydrophobicContact CG-CG 4.38Å; K780-E784 IonicContact NZ-OE1 3.05Å; K780-E784 WeakPolarHBondContact O-CB 3.26Å; K780-E784 WeakPolarHBondContact O-CG 3.47Å; K780-E784 PolarHBondContact O-N 2.96Å; E784-S788 PolarHBondContact O-N 3.24Å
785	E	94.4	Very high	93.7	Very high	58 Å²	58	61.1 Å²	61.1	27%	0.271	31%	0.309	S	S	.	.	H	α-helix	trans	-72.6	-40.9	175.5	-173.1	174.2	-169.4	0	0	113.5	L735 R739 N781 R782 V783 Q787 S788 L789	L735-E785 HydrophobicContact CD1-CB 4Å; L735-E785 HydrophobicContact CD1-CG 3.76Å; R739-E785 IonicContact CZ-OE1 2.8Å; R739-E785 IonicContact CZ-OE2 2.8Å; R739-E785 IonicContact NE-OE1 2.87Å; R739-E785 PolarHBondContact NE-OE1 2.92Å; R739-E785 IonicContact NE-OE2 2.99Å; R739-E785 IonicContact NH2-OE1 2.84Å; R739-E785 PolarHBondContact NH2-OE1 3.41Å; R739-E785 IonicContact NH2-OE2 3.87Å; R739-E785 PolarHBondContact NH2-OE2 2.86Å; N781-E785 PolarHBondContact O-N 3.11Å; R782-E785 PolarHBondContact O-N 2.73Å; V783-E785 PolarHBondContact O-N 3.27Å; E785-Q787 VanDerWaalsContact C-N 3.27Å; E785-Q787 PolarHBondContact O-N 2.95Å; E785-S788 PolarHBondContact O-N 3.4Å; E785-S788 PolarHBondContact O-OG 2.83Å; E785-L789 HydrophobicContact CG-CD1 3.91Å; E785-L789 HydrophobicContact CG-CG 4.5Å; E785-L789 VanDerWaalsContact O-CG 3.28Å; E785-L789 WeakPolarHBondContact O-CG 3.46Å; E785-L789 PolarHBondContact O-N 2.86Å; E785-L789 VanDerWaalsContact O-N 3.16Å
786	I	96.4	Very high	94	Very high	0 Å²	0	61.7 Å²	61.7	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-59.1	-43.7	174.4	-71.8	163	0	0	0	110.3	L731 A734 L735 A738 I768 R782 V783 S788 L789 T790 W795	L731-I786 HydrophobicContact CD1-CD1 3.71Å; A734-I786 HydrophobicContact CB-CD1 3.89Å; L735-I786 HydrophobicContact CB-CD1 4.15Å; L735-I786 HydrophobicContact CB-CG1 4.12Å; L735-I786 HydrophobicContact CD1-CG1 3.84Å; A738-I786 HydrophobicContact CB-CB 4.4Å; A738-I786 HydrophobicContact CB-CG1 4.12Å; A738-I786 HydrophobicContact CB-CG2 4.22Å; I768-I786 HydrophobicContact CD1-CD1 4.22Å; I768-I786 HydrophobicContact CD1-CG2 4.46Å; I768-I786 HydrophobicContact CG1-CD1 4.05Å; I768-I786 HydrophobicContact CG1-CG2 4.21Å; I768-I786 HydrophobicContact CG2-CG2 3.81Å; R782-I786 WeakPolarHBondContact O-CD1 3.33Å; R782-I786 VanDerWaalsContact O-CG1 3.25Å; R782-I786 WeakPolarHBondContact O-CG1 3.25Å; R782-I786 PolarHBondContact O-N 3.15Å; V783-I786 PolarHBondContact O-N 2.99Å; V783-I786 VanDerWaalsContact O-N 3.14Å; I786-S788 VanDerWaalsContact C-N 3.31Å; I786-S788 PolarHBondContact O-N 2.94Å; I786-L789 PolarHBondContact O-N 3.06Å; I786-T790 PolarHBondContact O-N 2.79Å; I786-T790 PolarHBondContact O-OG1 2.88Å; I786-W795 HydrophobicContact CG2-CZ2 3.62Å
787	Q	95.8	Very high	94.3	Very high	57 Å²	57	56.2 Å²	56.2	27%	0.266	29%	0.288	S	S	.	.	H	α-helix	trans	-69.9	-24.6	-179.9	-67.1	-179.9	-13.3	0	0	112.9	I768 S770 T772 V783 E785 T790 P792	I768-Q787 PolarHBondContact O-NE2 3.25Å; S770-Q787 PolarHBondContact O-NE2 2.92Å; T772-Q787 VanDerWaalsContact CG2-OE1 3.26Å; V783-Q787 HydrophobicContact CG1-CG 4.03Å; V783-Q787 WeakPolarHBondContact O-CB 3.39Å; V783-Q787 VanDerWaalsContact O-CG 3.24Å; V783-Q787 WeakPolarHBondContact O-CG 3.36Å; V783-Q787 PolarHBondContact O-N 3.41Å; E785-Q787 VanDerWaalsContact C-N 3.27Å; E785-Q787 PolarHBondContact O-N 2.95Å; Q787-T790 CarbonylContact C-O 3.46Å; Q787-T790 WeakPolarHBondContact CA-O 3.27Å; Q787-P792 HydrophobicContact CG-CG 4.1Å
788	S	95.4	Very high	94.5	Very high	93 Å²	93	51.7 Å²	51.7	65%	0.65	26%	0.259	S	S	*	.	H	α-helix	trans	-80.6	-20.9	173.4	73.4	0	0	0	0	113.2	E784 E785 I786	E784-S788 PolarHBondContact O-N 3.24Å; E785-S788 PolarHBondContact O-N 3.4Å; E785-S788 PolarHBondContact O-OG 2.83Å; I786-S788 VanDerWaalsContact C-N 3.31Å; I786-S788 PolarHBondContact O-N 2.94Å
789	L	95.9	Very high	94.6	Very high	53 Å²	53	51.8 Å²	51.8	28%	0.277	26%	0.264	S	S	.	.	H	α-helix	trans	-99	-27.6	-179.2	-65.1	170.7	0	0	0	113.3	A738 R739 E785 I786	A738-L789 HydrophobicContact CB-CB 4.15Å; A738-L789 HydrophobicContact CB-CD1 4.25Å; R739-L789 HydrophobicContact CB-CD1 4.32Å; R739-L789 HydrophobicContact CG-CD1 3.46Å; R739-L789 VanDerWaalsContact CG-CD1 3.46Å; E785-L789 HydrophobicContact CG-CD1 3.91Å; E785-L789 HydrophobicContact CG-CG 4.5Å; E785-L789 VanDerWaalsContact O-CG 3.28Å; E785-L789 WeakPolarHBondContact O-CG 3.46Å; E785-L789 PolarHBondContact O-N 2.86Å; E785-L789 VanDerWaalsContact O-N 3.16Å; I786-L789 PolarHBondContact O-N 3.06Å
790	T	96.4	Very high	94.5	Very high	11 Å²	11	53 Å²	53	7%	0.067	28%	0.278	C	S	.	.	S	Bend	trans	-144.8	143.2	-176.3	56.9	0	0	0	0	110.9	A738 V741 I786 Q787 W795	A738-T790 HydrophobicContact CB-CG2 4.03Å; V741-T790 HydrophobicContact CG1-CG2 3.72Å; I786-T790 PolarHBondContact O-N 2.79Å; I786-T790 PolarHBondContact O-OG1 2.88Å; Q787-T790 CarbonylContact C-O 3.46Å; Q787-T790 WeakPolarHBondContact CA-O 3.27Å; T790-W795 PolarHBondContact OG1-NE1 2.73Å
791	E	94.4	Very high	94.4	Very high	138 Å²	138	59 Å²	59	65%	0.645	30%	0.304	S	S	*	.			trans	-67.5	133.6	177.4	-66.8	-60	149.7	0	0	111	N793 S794	E791-N793 PolarHBondContact O-N 3.18Å; E791-N793 VanDerWaalsContact O-N 3.13Å; E791-S794 VanDerWaalsContact O-CB 3.32Å; E791-S794 WeakPolarHBondContact O-CB 3.43Å; E791-S794 PolarHBondContact O-N 3.41Å; E791-S794 PolarHBondContact O-OG 3.22Å
792	P	94	Very high	94.4	Very high	34 Å²	34	56.3 Å²	56.3	22%	0.221	29%	0.288	C	S	.	.	G	3₁₀ helix	trans	-53.1	-36.7	177.3	-24.7	30.4	0	0	0	113.5	Q787 S794 W795	Q787-P792 HydrophobicContact CG-CG 4.1Å; P792-S794 PolarHBondContact O-N 2.8Å; P792-W795 PolarHBondContact O-N 2.81Å
793	N	93.4	Very high	94.5	Very high	153 Å²	153	54.7 Å²	54.7	82%	0.818	28%	0.283	S	S	*	.	G	3₁₀ helix	trans	-72.5	-11	179.9	-66.6	-14.7	0	0	0	113.7	E791 W795	E791-N793 PolarHBondContact O-N 3.18Å; E791-N793 VanDerWaalsContact O-N 3.13Å; N793-W795 VanDerWaalsContact C-N 3.31Å
794	S	95	Very high	94.5	Very high	15 Å²	15	54.7 Å²	54.7	11%	0.105	28%	0.283	C	S	.	.	G	3₁₀ helix	trans	-79.4	-16.2	173.2	71.9	0	0	0	0	112.9	V755 C757 E791 P792	V755-S794 VanDerWaalsContact O-CB 3.31Å; V755-S794 WeakPolarHBondContact O-CB 3.22Å; C757-S794 PolarHBondContact N-O 3.28Å; C757-S794 PolarHBondContact SG-OG 2.89Å; E791-S794 VanDerWaalsContact O-CB 3.32Å; E791-S794 WeakPolarHBondContact O-CB 3.43Å; E791-S794 PolarHBondContact O-N 3.41Å; E791-S794 PolarHBondContact O-OG 3.22Å; P792-S794 PolarHBondContact O-N 2.8Å
795	W	97.1	Very high	94.7	Very high	11 Å²	11	51.2 Å²	51.2	4%	0.042	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	129.7	-178.3	-71.4	81.9	0	0	0	111.9	T685 A734 A738 C757 T759 L765 I768 I786 T790 P792 N793	T685-W795 HydrophobicContact CG2-CH2 4.2Å; T685-W795 HydrophobicContact CG2-CZ3 4.31Å; A734-W795 HydrophobicContact CB-CH2 3.57Å; A734-W795 HydrophobicContact CB-CZ2 4.47Å; A734-W795 HydrophobicContact CB-CZ3 3.75Å; A734-W795 WeakPolarHBondContact O-CH2 3.4Å; A738-W795 HydrophobicContact CB-CZ2 4.26Å; C757-W795 HydrophobicContact CB-CB 4.46Å; C757-W795 HydrophobicContact CB-CD2 3.4Å; C757-W795 VanDerWaalsContact CB-CD2 3.4Å; C757-W795 HydrophobicContact CB-CE3 3.66Å; C757-W795 HydrophobicContact CB-CG 3.8Å; C757-W795 HydrophobicContact CB-CH2 4.12Å; C757-W795 HydrophobicContact CB-CZ2 3.92Å; C757-W795 HydrophobicContact CB-CZ3 4.01Å; C757-W795 CarbonylContact O-C 3.59Å; C757-W795 WeakPolarHBondContact O-CA 3.24Å; T759-W795 HydrophobicContact CG2-CE3 4.34Å; L765-W795 HydrophobicContact CD1-CB 3.6Å; I768-W795 HydrophobicContact CD1-CD2 3.95Å; I768-W795 HydrophobicContact CD1-CE3 3.76Å; I768-W795 HydrophobicContact CD1-CH2 4.24Å; I768-W795 HydrophobicContact CD1-CZ2 4.39Å; I768-W795 HydrophobicContact CD1-CZ3 3.91Å; I768-W795 HydrophobicContact CG2-CB 4.33Å; I768-W795 HydrophobicContact CG2-CD2 3.95Å; I768-W795 HydrophobicContact CG2-CG 3.69Å; I786-W795 HydrophobicContact CG2-CZ2 3.62Å; T790-W795 PolarHBondContact OG1-NE1 2.73Å; P792-W795 PolarHBondContact O-N 2.81Å; N793-W795 VanDerWaalsContact C-N 3.31Å
796	R	95.2	Very high	94.8	Very high	98 Å²	98	50.2 Å²	50.2	37%	0.37	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	157.2	-177.9	-62.2	-177.9	-177.8	-133.1	4.7	110.4	C757 W758 T759	C757-R796 PolarHBondContact O-N 2.79Å; W758-R796 WeakPolarHBondContact CA-O 3.45Å; W758-R796 HydrophobicContact CD2-CB 4.3Å; W758-R796 HydrophobicContact CE3-CB 3.62Å; W758-R796 HydrophobicContact CH2-CB 4.25Å; W758-R796 HydrophobicContact CZ3-CB 3.59Å; W758-R796 HydrophobicContact CZ3-CG 4.35Å; T759-R796 PolarHBondContact N-O 3.39Å; T759-R796 VanDerWaalsContact N-O 3.12Å
797	H	95.4	Very high	94.8	Very high	45 Å²	45	52.1 Å²	52.1	21%	0.208	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	144.5	171.6	175.7	-90.5	0	0	0	109.7	T759 L765	T759-H797 CarbonylContact O-C 3.35Å; T759-H797 VanDerWaalsContact O-CA 3.24Å; T759-H797 WeakPolarHBondContact O-CA 3.48Å; L765-H797 HydrophobicContact CD2-CB 3.85Å
798	C	93.8	Very high	94.7	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	26%	0.258	C	S	.	.			trans	-128.9	142.2	165	67.8	0	0	0	0	109.8	F684 W758 T759 D760 G800 P838	F684-C798 HydrophobicContact CE1-CB 4.4Å; W758-C798 HydrophobicContact CB-CB 4.24Å; W758-C798 HydrophobicContact CE3-CB 4.04Å; T759-C798 PolarHBondContact O-N 3.47Å; D760-C798 WeakPolarHBondContact CA-O 3.5Å; D760-C798 WeakPolarHBondContact CB-O 3.42Å; C798-G800 PolarHBondContact O-N 2.78Å; C798-P838 HydrophobicContact CB-CB 4.17Å; C798-P838 HydrophobicContact CB-CG 4.42Å
799	P	92.6	Very high	94.7	Very high	43 Å²	43	45 Å²	45	28%	0.279	23%	0.227	S	C	.	.			trans	-59.6	137.9	171.8	-22.2	32.7	0	0	0	110.9	K801 E802 N803	P799-K801 PolarHBondContact O-N 2.86Å; P799-K801 VanDerWaalsContact O-N 3.12Å; P799-E802 CarbonylContact O-C 3.52Å; P799-E802 WeakPolarHBondContact O-CA 3.33Å; P799-E802 WeakPolarHBondContact O-CB 3.38Å; P799-E802 PolarHBondContact O-N 2.91Å; P799-N803 PolarHBondContact O-N 2.82Å
800	G	91.1	Very high	94.6	Very high	34 Å²	34	50.5 Å²	50.5	35%	0.351	24%	0.244	S	C	.	.	G	3₁₀ helix	trans	-56.3	-32.7	-177.9	0	0	0	0	0	114.7	D760 C798 E802 N803	D760-G800 WeakPolarHBondContact OD2-CA 3.25Å; C798-G800 PolarHBondContact O-N 2.78Å; G800-E802 PolarHBondContact O-N 2.85Å; G800-N803 WeakPolarHBondContact O-CB 3.43Å; G800-N803 PolarHBondContact O-N 3.49Å
801	K	90.9	Very high	94.6	Very high	198 Å²	198	50.8 Å²	50.8	86%	0.861	25%	0.249	S	C	*	.	G	3₁₀ helix	trans	-64.3	-22.6	173.4	-67.3	-175.7	179.8	179.5	0	113.5	P799 Q822	P799-K801 PolarHBondContact O-N 2.86Å; P799-K801 VanDerWaalsContact O-N 3.12Å; K801-Q822 PolarHBondContact O-NE2 3.26Å
802	E	91.1	Very high	94.6	Very high	32 Å²	32	45.2 Å²	45.2	15%	0.15	22%	0.223	C	C	.	.	G	3₁₀ helix	trans	-100.2	4.1	177.9	-61.8	-172.6	-173.1	0	0	111.5	P799 G800 P804 Q822 P827 R829	P799-E802 CarbonylContact O-C 3.52Å; P799-E802 WeakPolarHBondContact O-CA 3.33Å; P799-E802 WeakPolarHBondContact O-CB 3.38Å; P799-E802 PolarHBondContact O-N 2.91Å; G800-E802 PolarHBondContact O-N 2.85Å; E802-P804 WeakPolarHBondContact O-CD 3.36Å; E802-Q822 VanDerWaalsContact CA-NE2 3.27Å; E802-Q822 PolarHBondContact O-NE2 3.14Å; E802-Q822 VanDerWaalsContact O-NE2 3.15Å; E802-P827 WeakPolarHBondContact O-CG 3.49Å; E802-R829 IonicContact OE1-CZ 3.29Å; E802-R829 IonicContact OE1-NE 3.5Å; E802-R829 PolarHBondContact OE1-NE 3.05Å; E802-R829 IonicContact OE1-NH2 3.15Å; E802-R829 PolarHBondContact OE1-NH2 3.02Å; E802-R829 WeakPolarHBondContact OE2-CD 3.2Å; E802-R829 IonicContact OE2-CZ 2.79Å; E802-R829 IonicContact OE2-NE 3.77Å; E802-R829 PolarHBondContact OE2-NE 2.87Å
803	N	95.5	Very high	94.7	Very high	2 Å²	2	44.6 Å²	44.6	1%	0.011	22%	0.221	C	C	.	.			trans	-91.6	102	-179.4	-169.5	-0.4	0	0	0	111.6	T685 D686 P799 G800 A805 D806	T685-N803 PolarHBondContact O-ND2 3.07Å; D686-N803 PolarHBondContact OD1-ND2 2.87Å; P799-N803 PolarHBondContact O-N 2.82Å; G800-N803 WeakPolarHBondContact O-CB 3.43Å; G800-N803 PolarHBondContact O-N 3.49Å; N803-A805 PolarHBondContact O-N 3.24Å; N803-A805 WeakPolarHBondContact OD1-CB 3.42Å; N803-A805 PolarHBondContact OD1-N 3.36Å; N803-D806 WeakPolarHBondContact O-CB 3.23Å; N803-D806 PolarHBondContact O-N 3.46Å
804	P	96.9	Very high	94.7	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-17.3	176.1	27.3	-35.6	0	0	0	113.5	F684 V695 Y697 E802 D806 Y807 Q822 W823 P827	F684-P804 HydrophobicContact CB-CG 3.94Å; F684-P804 HydrophobicContact CD1-CG 4.08Å; F684-P804 HydrophobicContact CD2-CG 3.81Å; F684-P804 HydrophobicContact CE2-CG 4.31Å; F684-P804 HydrophobicContact CG-CG 3.67Å; V695-P804 HydrophobicContact CG1-CB 4.24Å; V695-P804 HydrophobicContact CG1-CG 4Å; Y697-P804 HydrophobicContact CE2-CB 4.3Å; Y697-P804 HydrophobicContact CE2-CG 3.69Å; Y697-P804 VanDerWaalsContact OH-CB 3.27Å; Y697-P804 WeakPolarHBondContact OH-CB 3.49Å; E802-P804 WeakPolarHBondContact O-CD 3.36Å; P804-D806 PolarHBondContact O-N 2.95Å; P804-Y807 WeakPolarHBondContact O-CD2 3.4Å; P804-Y807 PolarHBondContact O-N 3.45Å; P804-Q822 HydrophobicContact CB-CG 4.23Å; P804-W823 WeakPolarHBondContact O-CZ3 3.19Å; P804-P827 HydrophobicContact CG-CG 4.48Å
805	A	97.3	Very high	94.6	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-17.8	176.4	0	0	0	0	0	112.6	F684 D686 V695 N803 Y807 A808 T809	F684-A805 HydrophobicContact CB-CB 4.07Å; D686-A805 VanDerWaalsContact CB-C 3.45Å; D686-A805 HydrophobicContact CB-CB 3.52Å; V695-A805 HydrophobicContact CG1-CB 4.21Å; N803-A805 PolarHBondContact O-N 3.24Å; N803-A805 WeakPolarHBondContact OD1-CB 3.42Å; N803-A805 PolarHBondContact OD1-N 3.36Å; A805-Y807 PolarHBondContact O-N 3.36Å; A805-A808 WeakPolarHBondContact O-CA 3.45Å; A805-A808 VanDerWaalsContact O-CB 3.28Å; A805-A808 WeakPolarHBondContact O-CB 3.26Å; A805-A808 PolarHBondContact O-N 2.92Å; A805-T809 PolarHBondContact O-N 3.18Å
806	D	96.9	Very high	94.5	Very high	38 Å²	38	46 Å²	46	20%	0.203	23%	0.227	C	C	.	.	H	α-helix	trans	-57	-37.6	171.5	-177.3	84.5	0	0	0	111.8	D686 N803 P804 A808 T809 R810	D686-D806 WeakPolarHBondContact OD2-CA 3.5Å; N803-D806 WeakPolarHBondContact O-CB 3.23Å; N803-D806 PolarHBondContact O-N 3.46Å; P804-D806 PolarHBondContact O-N 2.95Å; D806-A808 PolarHBondContact O-N 3.19Å; D806-T809 PolarHBondContact O-N 2.91Å; D806-T809 VanDerWaalsContact O-N 3.14Å; D806-T809 PolarHBondContact O-OG1 3.35Å; D806-R810 PolarHBondContact O-N 3.42Å; D806-R810 VanDerWaalsContact OD1-CD 3.28Å; D806-R810 WeakPolarHBondContact OD1-CD 3.48Å; D806-R810 IonicContact OD1-CZ 3.04Å; D806-R810 IonicContact OD1-NE 3.08Å; D806-R810 PolarHBondContact OD1-NE 2.74Å; D806-R810 IonicContact OD1-NH2 3.06Å; D806-R810 WeakPolarHBondContact OD2-CD 3.24Å; D806-R810 IonicContact OD2-NE 3.4Å
807	Y	96.8	Very high	94.6	Very high	40 Å²	40	41.3 Å²	41.3	16%	0.157	21%	0.209	C	C	.	.	H	α-helix	trans	-64.1	-29	173.8	-59.1	-64.3	0	0	0	112.6	P618 P804 A805 T809 G811 L812 E820 Q822 W823	P618-Y807 VanDerWaalsContact CA-O 3.27Å; P618-Y807 WeakPolarHBondContact CA-O 3.45Å; P618-Y807 VanDerWaalsContact CB-O 3.31Å; P618-Y807 WeakPolarHBondContact CB-O 3.45Å; P804-Y807 WeakPolarHBondContact O-CD2 3.4Å; P804-Y807 PolarHBondContact O-N 3.45Å; A805-Y807 PolarHBondContact O-N 3.36Å; Y807-T809 VanDerWaalsContact C-N 3.31Å; Y807-G811 WeakPolarHBondContact O-CA 3.15Å; Y807-G811 PolarHBondContact O-N 2.88Å; Y807-G811 VanDerWaalsContact O-N 3.12Å; Y807-L812 HydrophobicContact CD1-CB 4.49Å; Y807-L812 HydrophobicContact CD1-CD1 4.4Å; Y807-L812 HydrophobicContact CD1-CD2 4.01Å; Y807-L812 HydrophobicContact CE1-CD1 4.48Å; Y807-L812 HydrophobicContact CE1-CD2 4.23Å; Y807-E820 HydrophobicContact CD2-CG 4.39Å; Y807-E820 HydrophobicContact CE1-CG 4.11Å; Y807-E820 HydrophobicContact CE2-CG 3.89Å; Y807-E820 VanDerWaalsContact CZ-CD 3.48Å; Y807-E820 PolarHBondContact OH-OE1 3.47Å; Y807-E820 PolarHBondContact OH-OE2 3.22Å; Y807-Q822 HydrophobicContact CE2-CB 4.25Å; Y807-Q822 HydrophobicContact CE2-CG 4.38Å; Y807-W823 HydrophobicContact CD2-CB 4.39Å; Y807-W823 HydrophobicContact CD2-CE3 4.32Å
808	A	94.2	Very high	94.5	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-78.2	-15.2	178.3	0	0	0	0	0	113.5	T617 S716 A805 D806 W823	T617-A808 HydrophobicContact CG2-CB 3.55Å; S716-A808 WeakPolarHBondContact CB-O 3.49Å; A805-A808 WeakPolarHBondContact O-CA 3.45Å; A805-A808 VanDerWaalsContact O-CB 3.28Å; A805-A808 WeakPolarHBondContact O-CB 3.26Å; A805-A808 PolarHBondContact O-N 2.92Å; D806-A808 PolarHBondContact O-N 3.19Å; A808-W823 HydrophobicContact CB-CH2 4.05Å; A808-W823 HydrophobicContact CB-CZ3 3.98Å
809	T	95.4	Very high	94.5	Very high	0 Å²	0	50 Å²	50	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-105.8	-49.9	-179.3	65.7	0	0	0	0	111.5	D686 A691 A805 D806 Y807	D686-T809 HydrophobicContact CB-CG2 3.86Å; D686-T809 WeakPolarHBondContact O-CG2 3.46Å; D686-T809 WeakPolarHBondContact OD2-CB 3.21Å; D686-T809 WeakPolarHBondContact OD2-CG2 3.49Å; D686-T809 PolarHBondContact OD2-OG1 3.46Å; A691-T809 WeakPolarHBondContact CB-O 3.3Å; A691-T809 WeakPolarHBondContact O-CB 2.86Å; A805-T809 PolarHBondContact O-N 3.18Å; D806-T809 PolarHBondContact O-N 2.91Å; D806-T809 VanDerWaalsContact O-N 3.14Å; D806-T809 PolarHBondContact O-OG1 3.35Å; Y807-T809 VanDerWaalsContact C-N 3.31Å
810	R	94.4	Very high	94.7	Very high	169 Å²	169	50.1 Å²	50.1	64%	0.638	25%	0.247	S	C	*	.	H	α-helix	trans	-81.3	-25.6	179.3	-59	-169.4	-172.4	-118	-2.5	113.3	D806	D806-R810 PolarHBondContact O-N 3.42Å; D806-R810 VanDerWaalsContact OD1-CD 3.28Å; D806-R810 WeakPolarHBondContact OD1-CD 3.48Å; D806-R810 IonicContact OD1-CZ 3.04Å; D806-R810 IonicContact OD1-NE 3.08Å; D806-R810 PolarHBondContact OD1-NE 2.74Å; D806-R810 IonicContact OD1-NH2 3.06Å; D806-R810 WeakPolarHBondContact OD2-CD 3.24Å; D806-R810 IonicContact OD2-NE 3.4Å
811	G	95.3	Very high	94.8	Very high	16 Å²	16	54 Å²	54	17%	0.165	25%	0.251	C	S	.	.			trans	79.7	164.3	-178.2	0	0	0	0	0	114.4	P618 Y807	P618-G811 CarbonylContact O-C 3.58Å; P618-G811 WeakPolarHBondContact O-CA 3.38Å; Y807-G811 WeakPolarHBondContact O-CA 3.15Å; Y807-G811 PolarHBondContact O-N 2.88Å; Y807-G811 VanDerWaalsContact O-N 3.12Å
812	L	95.2	Very high	95	Very high	21 Å²	21	46.3 Å²	46.3	11%	0.11	22%	0.218	C	C	.	.			trans	-140.5	146	-177.8	-165.4	59.7	0	0	0	110.9	P618 R622 Y807 K816 L817 E820	P618-L812 HydrophobicContact CB-CB 3.74Å; P618-L812 PolarHBondContact O-N 3.32Å; R622-L812 WeakPolarHBondContact CD-O 3.42Å; R622-L812 PolarHBondContact NH1-O 3.17Å; Y807-L812 HydrophobicContact CD1-CB 4.49Å; Y807-L812 HydrophobicContact CD1-CD1 4.4Å; Y807-L812 HydrophobicContact CD1-CD2 4.01Å; Y807-L812 HydrophobicContact CE1-CD1 4.48Å; Y807-L812 HydrophobicContact CE1-CD2 4.23Å; L812-K816 HydrophobicContact CD1-CB 3.75Å; L812-K816 HydrophobicContact CD1-CD 3.91Å; L812-K816 HydrophobicContact CD2-CB 4.14Å; L812-K816 HydrophobicContact CG-CB 3.77Å; L812-L817 HydrophobicContact CD2-CB 4.08Å; L812-L817 HydrophobicContact CD2-CD1 4.18Å; L812-L817 HydrophobicContact CG-CB 4.44Å; L812-E820 HydrophobicContact CD2-CB 3.82Å; L812-E820 HydrophobicContact CD2-CG 3.92Å
813	A	95.2	Very high	95.2	Very high	22 Å²	22	44.8 Å²	44.8	18%	0.182	21%	0.211	C	C	.	.			trans	-64.6	139.9	171.2	0	0	0	0	0	110.5	E655 C815 K816 L817	E655-A813 VanDerWaalsContact OE2-CA 3.23Å; E655-A813 WeakPolarHBondContact OE2-CA 3.46Å; A813-C815 VanDerWaalsContact C-N 3.26Å; A813-C815 PolarHBondContact O-N 2.8Å; A813-K816 HydrophobicContact CB-CB 4.46Å; A813-K816 HydrophobicContact CB-CD 4.4Å; A813-K816 HydrophobicContact CB-CG 4.29Å; A813-K816 WeakPolarHBondContact O-CA 3.48Å; A813-K816 WeakPolarHBondContact O-CB 3.33Å; A813-K816 PolarHBondContact O-N 2.74Å; A813-L817 PolarHBondContact O-N 3.11Å
814	L	93.9	Very high	95.2	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-59.8	-38.7	-173	-165.5	68.9	0	0	0	112.1	L616 E655 A658 L659 V662 K816 L817 V818	L616-L814 HydrophobicContact CD2-CD1 4.16Å; E655-L814 HydrophobicContact CB-CB 3.94Å; E655-L814 WeakPolarHBondContact O-CD2 3.42Å; E655-L814 PolarHBondContact OE2-N 3.3Å; A658-L814 HydrophobicContact CB-CD2 4.2Å; L659-L814 HydrophobicContact CB-CD2 4.35Å; L659-L814 HydrophobicContact CD2-CD1 4.21Å; L659-L814 HydrophobicContact CD2-CD2 3.74Å; L659-L814 HydrophobicContact CG-CD2 3.7Å; V662-L814 HydrophobicContact CG2-CD1 3.97Å; V662-L814 HydrophobicContact CG2-CG 4.37Å; L814-K816 VanDerWaalsContact C-N 3.25Å; L814-K816 PolarHBondContact O-N 3.21Å; L814-L817 HydrophobicContact CD1-CD2 4.1Å; L814-L817 WeakPolarHBondContact O-CB 3.38Å; L814-L817 PolarHBondContact O-N 3.04Å; L814-V818 WeakPolarHBondContact O-CG2 3.28Å; L814-V818 PolarHBondContact O-N 3Å
815	C	93	Very high	95.1	Very high	75 Å²	75	48.5 Å²	48.5	51%	0.507	23%	0.229	S	C	.	.	H	α-helix	trans	-63.7	-27.7	176	60.8	0	0	0	0	113.9	A813	A813-C815 VanDerWaalsContact C-N 3.26Å; A813-C815 PolarHBondContact O-N 2.8Å
816	K	95.3	Very high	94.9	Very high	133 Å²	133	48.5 Å²	48.5	58%	0.578	23%	0.229	S	C	*	.	H	α-helix	trans	-81.4	-41.6	172.8	-67.8	-174.9	179.1	-175.2	0	110.7	L812 A813 L814 V818 K819 E820	L812-K816 HydrophobicContact CD1-CB 3.75Å; L812-K816 HydrophobicContact CD1-CD 3.91Å; L812-K816 HydrophobicContact CD2-CB 4.14Å; L812-K816 HydrophobicContact CG-CB 3.77Å; A813-K816 HydrophobicContact CB-CB 4.46Å; A813-K816 HydrophobicContact CB-CD 4.4Å; A813-K816 HydrophobicContact CB-CG 4.29Å; A813-K816 WeakPolarHBondContact O-CA 3.48Å; A813-K816 WeakPolarHBondContact O-CB 3.33Å; A813-K816 PolarHBondContact O-N 2.74Å; L814-K816 VanDerWaalsContact C-N 3.25Å; L814-K816 PolarHBondContact O-N 3.21Å; K816-V818 VanDerWaalsContact C-N 3.28Å; K816-V818 PolarHBondContact O-N 3.07Å; K816-K819 CarbonylContact O-C 3.56Å; K816-K819 PolarHBondContact O-N 3.26Å; K816-E820 PolarHBondContact O-N 2.91Å; K816-E820 VanDerWaalsContact O-N 3.11Å
817	L	95.7	Very high	94.7	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-55.5	-42.7	177.8	-177.5	61.4	0	0	0	112	L616 P618 L812 A813 L814 K819 E820 W823 W824	L616-L817 HydrophobicContact CD2-CD2 4.39Å; P618-L817 HydrophobicContact CB-CD1 3.99Å; P618-L817 HydrophobicContact CB-CD2 4.37Å; P618-L817 HydrophobicContact CG-CD1 3.8Å; L812-L817 HydrophobicContact CD2-CB 4.08Å; L812-L817 HydrophobicContact CD2-CD1 4.18Å; L812-L817 HydrophobicContact CG-CB 4.44Å; A813-L817 PolarHBondContact O-N 3.11Å; L814-L817 HydrophobicContact CD1-CD2 4.1Å; L814-L817 WeakPolarHBondContact O-CB 3.38Å; L814-L817 PolarHBondContact O-N 3.04Å; L817-K819 PolarHBondContact O-N 3.3Å; L817-K819 VanDerWaalsContact O-N 3.09Å; L817-E820 PolarHBondContact O-N 3.36Å; L817-E820 VanDerWaalsContact O-N 3.11Å; L817-W823 HydrophobicContact CD1-CB 4.28Å; L817-W823 HydrophobicContact CD1-CD2 4.43Å; L817-W823 HydrophobicContact CD1-CG 3.75Å; L817-W824 HydrophobicContact CD1-CZ2 4.3Å; L817-W824 HydrophobicContact CG-CZ2 4.03Å; L817-W824 PolarHBondContact O-NE1 2.97Å
818	V	94.4	Very high	94.3	Very high	43 Å²	43	49.8 Å²	49.8	26%	0.261	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.5	-31.4	175.5	171.3	0	0	0	0	112.5	L661 V662 L814 K816	L661-V818 HydrophobicContact CB-CG1 4.2Å; L661-V818 HydrophobicContact CB-CG2 4.02Å; V662-V818 HydrophobicContact CG2-CG2 3.61Å; L814-V818 WeakPolarHBondContact O-CG2 3.28Å; L814-V818 PolarHBondContact O-N 3Å; K816-V818 VanDerWaalsContact C-N 3.28Å; K816-V818 PolarHBondContact O-N 3.07Å
819	K	94.3	Very high	93.9	Very high	183 Å²	183	55.4 Å²	55.4	80%	0.796	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.3	-1.5	-176.4	-59.9	-179.4	-179.1	-178.7	0	113.6	K816 L817 R821	K816-K819 CarbonylContact O-C 3.56Å; K816-K819 PolarHBondContact O-N 3.26Å; L817-K819 PolarHBondContact O-N 3.3Å; L817-K819 VanDerWaalsContact O-N 3.09Å; K819-R821 PolarHBondContact O-N 3.29Å; K819-R821 VanDerWaalsContact O-N 3.11Å
820	E	95.5	Very high	93.5	Very high	46 Å²	46	55.4 Å²	55.4	22%	0.215	26%	0.259	C	S	.	.			trans	-85.1	87	-170.3	-174.8	51	-91.7	0	0	111.6	Y807 L812 K816 L817 Q822 W823 W824	Y807-E820 HydrophobicContact CD2-CG 4.39Å; Y807-E820 HydrophobicContact CE1-CG 4.11Å; Y807-E820 HydrophobicContact CE2-CG 3.89Å; Y807-E820 VanDerWaalsContact CZ-CD 3.48Å; Y807-E820 PolarHBondContact OH-OE1 3.47Å; Y807-E820 PolarHBondContact OH-OE2 3.22Å; L812-E820 HydrophobicContact CD2-CB 3.82Å; L812-E820 HydrophobicContact CD2-CG 3.92Å; K816-E820 PolarHBondContact O-N 2.91Å; K816-E820 VanDerWaalsContact O-N 3.11Å; L817-E820 PolarHBondContact O-N 3.36Å; L817-E820 VanDerWaalsContact O-N 3.11Å; E820-Q822 PolarHBondContact O-N 2.96Å; E820-Q822 PolarHBondContact OE1-N 2.75Å; E820-W823 HydrophobicContact CB-CB 4.29Å; E820-W823 HydrophobicContact CG-CB 3.88Å; E820-W823 PolarHBondContact O-N 3.14Å; E820-W823 VanDerWaalsContact O-N 3.14Å; E820-W824 PolarHBondContact O-N 2.83Å
821	R	94.4	Very high	92.9	Very high	116 Å²	116	50.2 Å²	50.2	44%	0.438	24%	0.242	S	C	.	.	H	α-helix	trans	-54.7	-39	-178.4	-178.7	-177.3	174.8	-168.7	0.8	112.4	K819 W823 W824 N825 E831	K819-R821 PolarHBondContact O-N 3.29Å; K819-R821 VanDerWaalsContact O-N 3.11Å; R821-W823 PolarHBondContact O-N 3.07Å; R821-W824 PolarHBondContact O-N 2.79Å; R821-W824 VanDerWaalsContact O-N 3.15Å; R821-N825 HydrophobicContact CG-CB 4.31Å; R821-N825 PolarHBondContact O-N 2.78Å; R821-E831 IonicContact CZ-OE1 2.88Å; R821-E831 IonicContact CZ-OE2 3.79Å; R821-E831 IonicContact NE-OE1 3.34Å; R821-E831 IonicContact NH2-OE1 3.67Å; R821-E831 PolarHBondContact NH2-OE1 3.45Å; R821-E831 IonicContact NH2-OE2 3.91Å; R821-E831 PolarHBondContact NH2-OE2 3.14Å
822	Q	94.8	Very high	92.2	Very high	36 Å²	36	52.1 Å²	52.1	17%	0.168	25%	0.253	C	S	.	.	H	α-helix	trans	-64.9	-30.6	-176.2	-172.3	176.8	0.7	0	0	112.2	Y697 K801 E802 P804 Y807 E820 G826	Y697-Q822 PolarHBondContact OH-O 3.48Å; K801-Q822 PolarHBondContact O-NE2 3.26Å; E802-Q822 VanDerWaalsContact CA-NE2 3.27Å; E802-Q822 PolarHBondContact O-NE2 3.14Å; E802-Q822 VanDerWaalsContact O-NE2 3.15Å; P804-Q822 HydrophobicContact CB-CG 4.23Å; Y807-Q822 HydrophobicContact CE2-CB 4.25Å; Y807-Q822 HydrophobicContact CE2-CG 4.38Å; E820-Q822 PolarHBondContact O-N 2.96Å; E820-Q822 PolarHBondContact OE1-N 2.75Å; Q822-G826 CarbonylContact O-C 3.58Å; Q822-G826 WeakPolarHBondContact O-CA 3.33Å; Q822-G826 PolarHBondContact O-N 3.21Å
823	W	96.2	Very high	91.5	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-73.1	-37.3	174.2	177.8	-102.2	0	0	0	112.8	L615 T617 P618 V695 Y697 I711 P804 Y807 A808 L817 E820 R821	L615-W823 PolarHBondContact O-NE1 2.69Å; T617-W823 HydrophobicContact CG2-CH2 4.27Å; P618-W823 HydrophobicContact CG-CD2 3.59Å; P618-W823 HydrophobicContact CG-CE3 3.76Å; P618-W823 HydrophobicContact CG-CG 4.26Å; P618-W823 HydrophobicContact CG-CH2 3.82Å; P618-W823 HydrophobicContact CG-CZ2 3.66Å; P618-W823 HydrophobicContact CG-CZ3 3.86Å; V695-W823 HydrophobicContact CB-CH2 4.17Å; V695-W823 HydrophobicContact CB-CZ3 4.11Å; V695-W823 HydrophobicContact CG1-CZ3 4.24Å; V695-W823 HydrophobicContact CG2-CH2 4.21Å; V695-W823 HydrophobicContact CG2-CZ3 4.29Å; Y697-W823 WeakPolarHBondContact CE1-O 3.31Å; Y697-W823 PolarHBondContact OH-O 3Å; I711-W823 HydrophobicContact CD1-CD2 4.48Å; I711-W823 HydrophobicContact CD1-CZ2 3.86Å; P804-W823 WeakPolarHBondContact O-CZ3 3.19Å; Y807-W823 HydrophobicContact CD2-CB 4.39Å; Y807-W823 HydrophobicContact CD2-CE3 4.32Å; A808-W823 HydrophobicContact CB-CH2 4.05Å; A808-W823 HydrophobicContact CB-CZ3 3.98Å; L817-W823 HydrophobicContact CD1-CB 4.28Å; L817-W823 HydrophobicContact CD1-CD2 4.43Å; L817-W823 HydrophobicContact CD1-CG 3.75Å; E820-W823 HydrophobicContact CB-CB 4.29Å; E820-W823 HydrophobicContact CG-CB 3.88Å; E820-W823 PolarHBondContact O-N 3.14Å; E820-W823 VanDerWaalsContact O-N 3.14Å; R821-W823 PolarHBondContact O-N 3.07Å
824	W	95.3	Very high	90.8	Very high	24 Å²	24	60.5 Å²	60.5	9%	0.091	29%	0.291	C	S	.	.	H	α-helix	trans	-84.7	-31.6	-175.9	-62.2	113.2	0	0	0	113.5	L615 V662 L664 I711 L817 E820 R821	L615-W824 HydrophobicContact CB-CH2 4.25Å; L615-W824 HydrophobicContact CB-CZ3 4.1Å; L615-W824 HydrophobicContact CD2-CZ3 4.47Å; V662-W824 HydrophobicContact CG1-CH2 3.5Å; V662-W824 VanDerWaalsContact CG1-CH2 3.5Å; V662-W824 HydrophobicContact CG1-CZ2 3.68Å; L664-W824 HydrophobicContact CB-CZ3 4.44Å; L664-W824 HydrophobicContact CD1-CE3 3.95Å; L664-W824 HydrophobicContact CD1-CZ3 4.28Å; I711-W824 HydrophobicContact CG2-CE3 3.89Å; I711-W824 HydrophobicContact CG2-CZ3 4.37Å; I711-W824 PolarHBondContact N-O 3.12Å; I711-W824 VanDerWaalsContact N-O 3.15Å; L817-W824 HydrophobicContact CD1-CZ2 4.3Å; L817-W824 HydrophobicContact CG-CZ2 4.03Å; L817-W824 PolarHBondContact O-NE1 2.97Å; E820-W824 PolarHBondContact O-N 2.83Å; R821-W824 PolarHBondContact O-N 2.79Å; R821-W824 VanDerWaalsContact O-N 3.15Å
825	N	94.4	Very high	90.1	Very high	57 Å²	57	68.4 Å²	68.4	31%	0.305	33%	0.333	S	S	.	.	H	α-helix	trans	-125.4	6.8	-171.4	-60	108.3	0	0	0	113.8	M709 R821	M709-N825 VanDerWaalsContact CB-O 3.23Å; M709-N825 WeakPolarHBondContact CB-O 3.21Å; M709-N825 WeakPolarHBondContact CG-O 3.36Å; M709-N825 PolarHBondContact O-ND2 3.49Å; M709-N825 VanDerWaalsContact SD-O 3.36Å; R821-N825 HydrophobicContact CG-CB 4.31Å; R821-N825 PolarHBondContact O-N 2.78Å
826	G	93.6	Very high	89.4	Confident	0 Å²	0	66.8 Å²	66.8	0%	0	33%	0.325	C	S	.	.			trans	68.1	-173.3	-177.4	0	0	0	0	0	113.4	Y697 Q822 I828	Y697-G826 VanDerWaalsContact CE1-N 3.28Å; Q822-G826 CarbonylContact O-C 3.58Å; Q822-G826 WeakPolarHBondContact O-CA 3.33Å; Q822-G826 PolarHBondContact O-N 3.21Å; G826-I828 PolarHBondContact O-N 3.26Å
827	P	92.7	Very high	88.9	Confident	4 Å²	4	61 Å²	61	3%	0.026	30%	0.3	C	S	.	.			trans	-67.5	132.9	-178.6	-22	36.1	0	0	0	111.9	F684 E802 P804 R829 L830	F684-P827 HydrophobicContact CE1-CG 3.84Å; F684-P827 HydrophobicContact CE2-CG 4.26Å; F684-P827 HydrophobicContact CZ-CG 3.52Å; E802-P827 WeakPolarHBondContact O-CG 3.49Å; P804-P827 HydrophobicContact CG-CG 4.48Å; P827-R829 PolarHBondContact O-N 3.15Å; P827-L830 PolarHBondContact O-N 3.08Å
828	I	87.9	Confident	87.8	Confident	100 Å²	100	61.2 Å²	61.2	51%	0.513	30%	0.301	S	S	.	.	G	3₁₀ helix	trans	-54.4	-33.7	-178.3	-64	169	0	0	0	112	G826 L830 E831	G826-I828 PolarHBondContact O-N 3.26Å; I828-L830 PolarHBondContact O-N 2.61Å; I828-E831 VanDerWaalsContact O-CB 3.25Å; I828-E831 WeakPolarHBondContact O-CB 3.47Å; I828-E831 PolarHBondContact O-N 2.91Å
829	R	85.5	Confident	86.1	Confident	118 Å²	118	65.9 Å²	65.9	45%	0.445	33%	0.332	S	S	.	.	G	3₁₀ helix	trans	-61.2	-28	178.3	-68.9	-166	-164.9	-162.8	12.1	114.1	E802 P827 E831 S832 A836	E802-R829 IonicContact OE1-CZ 3.29Å; E802-R829 IonicContact OE1-NE 3.5Å; E802-R829 PolarHBondContact OE1-NE 3.05Å; E802-R829 IonicContact OE1-NH2 3.15Å; E802-R829 PolarHBondContact OE1-NH2 3.02Å; E802-R829 WeakPolarHBondContact OE2-CD 3.2Å; E802-R829 IonicContact OE2-CZ 2.79Å; E802-R829 IonicContact OE2-NE 3.77Å; E802-R829 PolarHBondContact OE2-NE 2.87Å; P827-R829 PolarHBondContact O-N 3.15Å; R829-E831 PolarHBondContact O-N 3.22Å; R829-S832 WeakPolarHBondContact O-CB 3.32Å; R829-S832 PolarHBondContact O-N 3Å; R829-S832 VanDerWaalsContact O-N 3.15Å; R829-A836 WeakPolarHBondContact CB-O 3.38Å; R829-A836 WeakPolarHBondContact CD-O 3.23Å
830	L	86.5	Confident	85.7	Confident	0 Å²	0	60 Å²	60	0%	0	31%	0.309	C	S	.	.	G	3₁₀ helix	trans	-77.1	-9.1	176.5	-62.4	-171.6	0	0	0	113.1	H682 F684 R699 M709 W758 P827 I828 W837	H682-L830 HydrophobicContact CB-CD1 4.48Å; H682-L830 WeakPolarHBondContact ND1-CD1 3.38Å; F684-L830 HydrophobicContact CE2-CD1 4Å; F684-L830 HydrophobicContact CZ-CD1 3.6Å; R699-L830 PolarHBondContact NE-O 3.29Å; M709-L830 HydrophobicContact CE-CB 3.42Å; M709-L830 VanDerWaalsContact CE-CB 3.42Å; M709-L830 HydrophobicContact CE-CD1 3.71Å; M709-L830 HydrophobicContact CE-CG 4.23Å; M709-L830 HydrophobicContact SD-CB 4.24Å; M709-L830 HydrophobicContact SD-CD1 4.21Å; W758-L830 HydrophobicContact CZ2-CD2 4.2Å; P827-L830 PolarHBondContact O-N 3.08Å; I828-L830 PolarHBondContact O-N 2.61Å; L830-W837 HydrophobicContact CD2-CB 3.92Å; L830-W837 VanDerWaalsContact CD2-CD1 3.44Å; L830-W837 HydrophobicContact CD2-CD2 3.76Å; L830-W837 HydrophobicContact CD2-CG 3.42Å; L830-W837 VanDerWaalsContact CD2-CG 3.42Å
831	E	81.8	Confident	85.2	Confident	61 Å²	61	60.7 Å²	60.7	29%	0.285	31%	0.314	S	S	.	.	G	3₁₀ helix	trans	-75.1	-14.5	167	-58.4	-177.8	169.4	0	0	112	N707 R821 I828 R829	N707-E831 WeakPolarHBondContact CB-O 3.31Å; N707-E831 PolarHBondContact ND2-O 3.13Å; R821-E831 IonicContact CZ-OE1 2.88Å; R821-E831 IonicContact CZ-OE2 3.79Å; R821-E831 IonicContact NE-OE1 3.34Å; R821-E831 IonicContact NH2-OE1 3.67Å; R821-E831 PolarHBondContact NH2-OE1 3.45Å; R821-E831 IonicContact NH2-OE2 3.91Å; R821-E831 PolarHBondContact NH2-OE2 3.14Å; I828-E831 VanDerWaalsContact O-CB 3.25Å; I828-E831 WeakPolarHBondContact O-CB 3.47Å; I828-E831 PolarHBondContact O-N 2.91Å; R829-E831 PolarHBondContact O-N 3.22Å
832	S	81.7	Confident	84.7	Confident	55 Å²	55	57.7 Å²	57.7	39%	0.385	31%	0.307	S	S	.	.	S	Bend	trans	-89.6	178.3	174	-61.9	0	0	0	0	111.8	R699 N707 R829 W837	R699-S832 PolarHBondContact NH2-O 3.49Å; N707-S832 PolarHBondContact ND2-O 2.95Å; R829-S832 WeakPolarHBondContact O-CB 3.32Å; R829-S832 PolarHBondContact O-N 3Å; R829-S832 VanDerWaalsContact O-N 3.15Å; S832-W837 PolarHBondContact O-NE1 3.33Å
833	N	79.7	Confident	84.1	Confident	109 Å²	109	58.9 Å²	58.9	58%	0.583	32%	0.315	S	S	*	.			trans	-63.7	162	171.5	-67.6	-15.4	0	0	0	111.6	D835 A836	N833-D835 PolarHBondContact O-N 3.48Å; N833-D835 VanDerWaalsContact O-N 3.12Å; N833-A836 WeakPolarHBondContact O-CB 3.43Å; N833-A836 PolarHBondContact O-N 2.72Å
834	E	80.5	Confident	83.4	Confident	111 Å²	111	62.6 Å²	62.6	52%	0.519	34%	0.335	S	S	.	.	G	3₁₀ helix	trans	-55.6	-32.7	-174.8	-51	-159.3	165.2	0	0	113.9	A836 W837	E834-A836 PolarHBondContact O-N 2.85Å; E834-A836 VanDerWaalsContact O-N 3.08Å; E834-W837 HydrophobicContact CB-CD2 4.04Å; E834-W837 HydrophobicContact CB-CE3 4.19Å; E834-W837 HydrophobicContact CB-CH2 4.29Å; E834-W837 HydrophobicContact CB-CZ2 4.17Å; E834-W837 HydrophobicContact CB-CZ3 4.3Å; E834-W837 HydrophobicContact CG-CD2 4.33Å; E834-W837 HydrophobicContact CG-CE3 4.4Å; E834-W837 HydrophobicContact CG-CH2 3.62Å; E834-W837 HydrophobicContact CG-CZ2 3.54Å; E834-W837 HydrophobicContact CG-CZ3 4.06Å; E834-W837 VanDerWaalsContact O-CB 3.23Å; E834-W837 WeakPolarHBondContact O-CB 3.09Å; E834-W837 VanDerWaalsContact O-CG 3.28Å; E834-W837 PolarHBondContact O-N 3.02Å; E834-W837 WeakPolarHBondContact OE1-CH2 3.39Å
835	D	78.4	Confident	82.6	Confident	165 Å²	165	65.2 Å²	65.2	88%	0.882	35%	0.351	S	S	*	.	G	3₁₀ helix	trans	-59.9	-21.4	177.9	-56.2	-41	0	0	0	113.6	N833	N833-D835 PolarHBondContact O-N 3.48Å; N833-D835 VanDerWaalsContact O-N 3.12Å
836	A	79.3	Confident	81.7	Confident	41 Å²	41	65.8 Å²	65.8	34%	0.339	35%	0.354	S	S	.	.	G	3₁₀ helix	trans	-97.6	-2.3	-179.9	0	0	0	0	0	113.5	R829 N833 E834	R829-A836 WeakPolarHBondContact CB-O 3.38Å; R829-A836 WeakPolarHBondContact CD-O 3.23Å; N833-A836 WeakPolarHBondContact O-CB 3.43Å; N833-A836 PolarHBondContact O-N 2.72Å; E834-A836 PolarHBondContact O-N 2.85Å; E834-A836 VanDerWaalsContact O-N 3.08Å
837	W	83.6	Confident	80.8	Confident	13 Å²	13	70.8 Å²	70.8	5%	0.049	38%	0.382	C	S	.	.	S	Bend	trans	-63.7	163.2	-179.7	-68.3	4.2	0	0	0	111.6	H682 H756 W758 L830 S832 E834	H682-W837 AromaticContact CE1-CH2 3.98Å; H756-W837 AromaticContact CE1-CH2 3.91Å; H756-W837 AromaticContact CE1-CZ3 3.62Å; H756-W837 AromaticContact ND1-CZ3 3.91Å; H756-W837 AromaticContact NE2-CH2 3.67Å; H756-W837 AromaticContact NE2-CZ3 3.84Å; W758-W837 HydrophobicContact CH2-CB 4.22Å; W758-W837 HydrophobicContact CH2-CE3 4.15Å; W758-W837 HydrophobicContact CZ2-CE3 4.12Å; L830-W837 HydrophobicContact CD2-CB 3.92Å; L830-W837 VanDerWaalsContact CD2-CD1 3.44Å; L830-W837 HydrophobicContact CD2-CD2 3.76Å; L830-W837 HydrophobicContact CD2-CG 3.42Å; L830-W837 VanDerWaalsContact CD2-CG 3.42Å; S832-W837 PolarHBondContact O-NE1 3.33Å; E834-W837 HydrophobicContact CB-CD2 4.04Å; E834-W837 HydrophobicContact CB-CE3 4.19Å; E834-W837 HydrophobicContact CB-CH2 4.29Å; E834-W837 HydrophobicContact CB-CZ2 4.17Å; E834-W837 HydrophobicContact CB-CZ3 4.3Å; E834-W837 HydrophobicContact CG-CD2 4.33Å; E834-W837 HydrophobicContact CG-CE3 4.4Å; E834-W837 HydrophobicContact CG-CH2 3.62Å; E834-W837 HydrophobicContact CG-CZ2 3.54Å; E834-W837 HydrophobicContact CG-CZ3 4.06Å; E834-W837 VanDerWaalsContact O-CB 3.23Å; E834-W837 WeakPolarHBondContact O-CB 3.09Å; E834-W837 VanDerWaalsContact O-CG 3.28Å; E834-W837 PolarHBondContact O-N 3.02Å; E834-W837 WeakPolarHBondContact OE1-CH2 3.39Å
838	P	73.9	Confident	79.8	Confident	4 Å²	4	76.4 Å²	76.4	3%	0.026	41%	0.411	C	S	.	.			trans	-52.7	137	172.2	-24.3	34	0	0	0	111.2	W758 C798	W758-P838 HydrophobicContact CE3-CB 4.32Å; W758-P838 HydrophobicContact CE3-CG 4.45Å; W758-P838 HydrophobicContact CZ3-CB 3.85Å; W758-P838 HydrophobicContact CZ3-CG 4.08Å; C798-P838 HydrophobicContact CB-CB 4.17Å; C798-P838 HydrophobicContact CB-CG 4.42Å
839	P	59.1	Low	79.1	Confident	140 Å²	140	74.3 Å²	74.3	91%	0.909	40%	0.402	S	S	*	.			trans	-69.6	0	-172.1	28.6	-35.9	0	0	0	114.4

Retrieved 839 of 839 residues in 1987.6 ms (Link to these results)

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