A0A3Q0KSM6_SCHMA Loading...

CW-type domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KSM6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,309 aa.

						>A0A3Q0KSM6_SCHMA|A0A3Q0KSM6
MNISGFEINHGTEFKFCGNPCCSSITPLCFAGIDTLCARNRCKTNWYHFSLGEHVCSNCYEFLNTNTSKHRSQSVNSVWRHRMNSWRREWLKKSSKLGRRRILNAANFLAAQMLPWWLKCNKCGLWRQLPPQTTVGSSKCNYRPDKFTCADVVKFSNNPCSWPVDERAKIVINKPHDFLASMQTHAWLQASPALKVSSSYGVDLAGLSPDPLPGSTDEDEKAVSSDSPFSVFEEDGAFSPIDLHAWERFSFSEMSRFPTLYLAVRNLVLCLWFRNPKRLITGKFAANHCFVRGLLRIVLCEHWIPHLIEEFTCRGLINVGVCQIDPFDLAVESDQIVTGVSKEQKQQQIPSKFQLRIIGDSDLTTAVTIRQLWNALYLHQLHVQSSQRVQSQQQKLYFPLSIKLIPSPSVVSILSTFTNSLNNNSLSNNKLAELMIQFSSLNNTIQSTVELITNKGFDKNMCDNNNGDMKNLKSNALMLKKSKQCPILSVPSLMSPVQIDENKNLSGIFVPLHSWSDRIYTYSHHPVSIFAWQTGLELHPIAKCLLLQPSSSGFVINNNNNNNNNNNNNNEDNNINKFTLIPSSQSVRIEFHVEAILDLVIQLYSDKTNAEINPKLEEMEGVDFVTDINKNDNNTVLKSITHRLLDRTSSVEDCWDEMDAEVRRRLTDLTGNSIEQSLIEYFLASVEYDLTEPLTTNFTELSKSSSMRYLQPLTARLDQLPVCYFNEKTVTSTTVTREFSQQQSNNLNGNNENLTAYVIRTPSSIRNCANESNSCLIPGPINYLWNCLTKNIINESITCDNNGLSQLISIILENYDFNVNTSSSSLSSSDDNIIDANSSMHIVSTPLKQCNCSDNSNNNYTKEKVISDDLKSIRLNYTNGTELVDWVIVTTPIDRIRLHFVPKSLVSNDMLNRSVQYSKQTYLSIYLPFHLRSILIDEHYLLKNEPYALDVNRSVDKNIGQYSTNARLITITLVYSSSWWRQYTTEGFVSSDPSHTVSFYGDNFSELFSFLPDSRENRGFCHVFRDLRPDINSPGILQTQLFAASADHWWDKTDVLLQTAVDRYLKTHFMISSSTEESQFSDRFNLLSSYIARLQTPNLNSSKNCICIVNNEENDCREQWFHVKRSAWMELVKRTGLLIVNLIQNENYIDYGSRKENCLHINNHINGLTTSEMIYTSNPLHYSGMDAVTSSVQAGLELANLTLRLLPHRNQFHSKFSSLVSTNETVISVDDQSNDTCDPNSNESFNSSHSHQSLDNAKLVQSSWERVQNLNCQFPETYFNNNTECLSARTRRLLKRKHSESDQNLVCLE
					

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	26.6	Very low	36.6	Very low	151 Å²	151	109.7 Å²	109.7	74%	0.744	63%	0.627	S	S	*	*				0	113.1	0	-89.5	176.8	171.9	0	0	107.9	P131	M1-P131 HydrophobicContact CB-CG 4.38Å
2	N	24.4	Very low	37.8	Very low	138 Å²	138	106.5 Å²	106.5	74%	0.738	61%	0.611	S	S	*	*			trans	-66.5	128.4	166.7	-97.3	-21.2	0	0	0	108.3	S4	N2-S4 PolarHBondContact O-N 3.45Å
3	I	35.2	Very low	39.7	Very low	89 Å²	89	112.6 Å²	112.6	46%	0.456	63%	0.631	S	S	.	*	S	Bend	trans	-79.9	-4	179.7	-66.5	168.9	0	0	0	111.6	G5	I3-G5 PolarHBondContact O-N 3.35Å
4	S	32	Very low	41.7	Very low	110 Å²	110	109.2 Å²	109.2	77%	0.769	61%	0.606	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.5	14.7	-172.1	59.5	0	0	0	0	116.5	N2	N2-S4 PolarHBondContact O-N 3.45Å
5	G	27.6	Very low	44	Very low	62 Å²	62	108.9 Å²	108.9	64%	0.639	60%	0.596	S	S	*	*	T	Hydrogen-bonded Turn	trans	-121.8	13.6	-171.8	0	0	0	0	0	117.1	I3	I3-G5 PolarHBondContact O-N 3.35Å
6	F	39.3	Very low	46.4	Very low	72 Å²	72	108.5 Å²	108.5	32%	0.316	59%	0.587	S	S	.	*			trans	-103.6	92.1	-174.6	-65.3	-69.1	0	0	0	111.5	I8	F6-I8 PolarHBondContact O-N 3.46Å; F6-I8 VanDerWaalsContact O-N 3.13Å
7	E	38.9	Very low	48.7	Very low	149 Å²	149	102.7 Å²	102.7	70%	0.696	56%	0.556	S	S	*	*			trans	-53.5	116.1	165.6	-69.2	174.6	168.7	0	0	109.5	N9	E7-N9 PolarHBondContact O-N 3.11Å
8	I	44.4	Very low	50.5	Low	93 Å²	93	101.4 Å²	101.4	48%	0.477	57%	0.571	S	S	.	*			trans	-70	89.1	165.5	-57	172.9	0	0	0	105.3	F6 H10	F6-I8 PolarHBondContact O-N 3.46Å; F6-I8 VanDerWaalsContact O-N 3.13Å; I8-H10 PolarHBondContact O-CD2 3.47Å; I8-H10 VanDerWaalsContact O-CD2 3.31Å; I8-H10 PolarHBondContact O-N 3.19Å
9	N	40.6	Very low	52.2	Low	91 Å²	91	97.4 Å²	97.4	49%	0.487	55%	0.548	S	S	.	.			trans	-67.7	105.1	167.7	-92.6	-11.1	0	0	0	107.7	E7 G11	E7-N9 PolarHBondContact O-N 3.11Å; N9-G11 PolarHBondContact O-N 3.2Å
10	H	45.5	Very low	53.3	Low	181 Å²	181	98 Å²	98	84%	0.838	56%	0.556	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.6	23.3	-178.8	-76	-76.9	0	0	0	114.8	I8	I8-H10 PolarHBondContact O-CD2 3.47Å; I8-H10 VanDerWaalsContact O-CD2 3.31Å; I8-H10 PolarHBondContact O-N 3.19Å
11	G	48.4	Very low	54.4	Low	71 Å²	71	95.8 Å²	95.8	73%	0.732	55%	0.546	S	S	*	.	T	Hydrogen-bonded Turn	trans	-128.5	3.4	-169.8	0	0	0	0	0	116.9	N9	N9-G11 PolarHBondContact O-N 3.2Å
12	T	51.2	Low	57	Low	71 Å²	71	88.6 Å²	88.6	44%	0.436	51%	0.511	S	S	.	.	S	Bend	trans	-119.1	127.5	178.6	47.3	0	0	0	0	111.2	F14	T12-F14 WeakPolarHBondContact O-CD1 3.4Å; T12-F14 PolarHBondContact O-N 3.33Å; T12-F14 VanDerWaalsContact O-N 3.13Å
13	E	62.4	Low	59.1	Low	186 Å²	186	85.9 Å²	85.9	87%	0.869	50%	0.502	S	S	*	.			trans	-55	115.4	170	-69.2	-178.7	164.1	0	0	110.1
14	F	67.4	Low	60.8	Low	65 Å²	65	86.6 Å²	86.6	29%	0.285	52%	0.515	S	S	.	.			trans	-123.8	150	171.8	58.9	-96	0	0	0	109.3	T12 F16 T26	T12-F14 WeakPolarHBondContact O-CD1 3.4Å; T12-F14 PolarHBondContact O-N 3.33Å; T12-F14 VanDerWaalsContact O-N 3.13Å; F14-F16 HydrophobicContact CD2-CE2 4.46Å; F14-F16 HydrophobicContact CE2-CD2 4.33Å; F14-F16 HydrophobicContact CE2-CE1 4.08Å; F14-F16 AromaticContact CE2-CE2 3.74Å; F14-F16 HydrophobicContact CE2-CE2 3.74Å; F14-F16 AromaticContact CE2-CZ 3.61Å; F14-F16 HydrophobicContact CE2-CZ 3.61Å; F14-F16 HydrophobicContact CZ-CE2 4.37Å; F14-F16 HydrophobicContact CZ-CZ 4.13Å; F14-T26 HydrophobicContact CE2-CG2 4.36Å
15	K	76.2	Confident	63	Low	104 Å²	104	82.5 Å²	82.5	45%	0.452	49%	0.485	S	S	.	.	P	Polyproline II helix	trans	-88.9	131.7	-178.7	-163.5	171.6	-175.6	170.4	0	110.1	C42 N45 W46	K15-C42 PolarHBondContact N-O 3.38Å; K15-N45 WeakPolarHBondContact CE-OD1 2.99Å; K15-N45 PolarHBondContact NZ-OD1 3.35Å; K15-W46 PolarHBondContact O-NE1 3.03Å
16	F	82.7	Confident	65.7	Low	103 Å²	103	82.9 Å²	82.9	45%	0.452	47%	0.474	S	S	.	.	P	Polyproline II helix	trans	-73.2	165	169.5	-77.3	-86.9	0	0	0	111.6	F14	F14-F16 HydrophobicContact CD2-CE2 4.46Å; F14-F16 HydrophobicContact CE2-CD2 4.33Å; F14-F16 HydrophobicContact CE2-CE1 4.08Å; F14-F16 AromaticContact CE2-CE2 3.74Å; F14-F16 HydrophobicContact CE2-CE2 3.74Å; F14-F16 AromaticContact CE2-CZ 3.61Å; F14-F16 HydrophobicContact CE2-CZ 3.61Å; F14-F16 HydrophobicContact CZ-CE2 4.37Å; F14-F16 HydrophobicContact CZ-CZ 4.13Å
17	C	85.2	Confident	67.9	Low	10 Å²	10	79.4 Å²	79.4	7%	0.068	46%	0.459	C	S	.	.	P	Polyproline II helix	trans	-64.7	135.2	171.1	-175	0	0	0	0	109.9	N19 C22 H54	C17-N19 VanDerWaalsContact C-N 3.25Å; C17-N19 PolarHBondContact O-N 3.04Å; C17-N19 PolarHBondContact SG-N 3.23Å; C17-N19 VanDerWaalsContact SG-N 3.37Å; C17-C22 HydrophobicContact CB-CB 3.67Å; C17-H54 WeakPolarHBondContact CB-NE2 3.29Å; C17-H54 PolarHBondContact SG-NE2 2.79Å
18	G	81	Confident	70.3	Confident	80 Å²	80	75.1 Å²	75.1	83%	0.825	44%	0.441	S	S	*	.	S	Bend	trans	-76.4	-8.2	175.7	0	0	0	0	0	114.3	P20	G18-P20 WeakPolarHBondContact O-CD 3.45Å
19	N	82.2	Confident	72.6	Confident	25 Å²	25	71.3 Å²	71.3	13%	0.134	42%	0.422	C	S	.	.	S	Bend	trans	-72.4	124.2	174.9	-171.5	-43	0	0	0	109.1	C17 C21 C22 H48	C17-N19 VanDerWaalsContact C-N 3.25Å; C17-N19 PolarHBondContact O-N 3.04Å; C17-N19 PolarHBondContact SG-N 3.23Å; C17-N19 VanDerWaalsContact SG-N 3.37Å; N19-C21 PolarHBondContact O-N 3.04Å; N19-C21 VanDerWaalsContact O-N 3.11Å; N19-C21 PolarHBondContact OD1-N 3.12Å; N19-C22 HydrophobicContact CB-CB 4.5Å; N19-C22 PolarHBondContact O-N 3.13Å; N19-H48 PolarHBondContact ND2-CD2 2.8Å; N19-H48 VanDerWaalsContact ND2-CD2 3.26Å; N19-H48 PolarHBondContact ND2-NE2 3.43Å
20	P	75.3	Confident	75	Confident	109 Å²	109	69.1 Å²	69.1	71%	0.708	41%	0.408	S	S	*	.	G	3₁₀ helix	trans	-53.6	-34.6	-178	-26.4	33.5	0	0	0	114	G18 C22 S23	G18-P20 WeakPolarHBondContact O-CD 3.45Å; P20-C22 PolarHBondContact O-N 2.96Å; P20-S23 WeakPolarHBondContact O-CB 3.47Å; P20-S23 PolarHBondContact O-N 2.9Å; P20-S23 PolarHBondContact O-OG 3.1Å
21	C	75.8	Confident	77.1	Confident	52 Å²	52	61.1 Å²	61.1	35%	0.351	37%	0.374	S	S	.	.	G	3₁₀ helix	trans	-69.1	-22.4	-179.3	-56.2	0	0	0	0	112.6	N19 L51	N19-C21 PolarHBondContact O-N 3.04Å; N19-C21 VanDerWaalsContact O-N 3.11Å; N19-C21 PolarHBondContact OD1-N 3.12Å; C21-L51 HydrophobicContact CB-CD1 4.22Å; C21-L51 WeakPolarHBondContact O-CD1 3.36Å
22	C	80.9	Confident	79	Confident	0 Å²	0	59 Å²	59	0%	0	35%	0.352	C	S	.	.	G	3₁₀ helix	trans	-99.4	5	-178.7	-77.8	0	0	0	0	114.2	C17 N19 P20 S24 I25 H48 G52 H54	C17-C22 HydrophobicContact CB-CB 3.67Å; N19-C22 HydrophobicContact CB-CB 4.5Å; N19-C22 PolarHBondContact O-N 3.13Å; P20-C22 PolarHBondContact O-N 2.96Å; C22-S24 PolarHBondContact O-N 2.87Å; C22-S24 VanDerWaalsContact O-N 3.13Å; C22-I25 PolarHBondContact O-N 2.84Å; C22-H48 PolarHBondContact SG-CE1 3.25Å; C22-G52 PolarHBondContact SG-N 3.3Å; C22-G52 VanDerWaalsContact SG-N 3.39Å; C22-H54 PolarHBondContact SG-CE1 3.28Å; C22-H54 PolarHBondContact SG-NE2 2.95Å; C22-H54 VanDerWaalsContact SG-NE2 3.38Å
23	S	70	Confident	80.7	Confident	80 Å²	80	56.5 Å²	56.5	56%	0.559	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.1	-33.5	-173.6	49.3	0	0	0	0	113.7	P20	P20-S23 WeakPolarHBondContact O-CB 3.47Å; P20-S23 PolarHBondContact O-N 2.9Å; P20-S23 PolarHBondContact O-OG 3.1Å
24	S	70	Confident	81.8	Confident	104 Å²	104	48.2 Å²	48.2	73%	0.727	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.1	-0.6	179.7	63.6	0	0	0	0	114.9	C22	C22-S24 PolarHBondContact O-N 2.87Å; C22-S24 VanDerWaalsContact O-N 3.13Å
25	I	78.9	Confident	82.5	Confident	25 Å²	25	51.3 Å²	51.3	13%	0.128	32%	0.322	C	S	.	.	S	Bend	trans	-111.3	119.9	-175.1	-58.4	176.5	0	0	0	109.4	C22 P27 L51 I170	C22-I25 PolarHBondContact O-N 2.84Å; I25-P27 VanDerWaalsContact O-CD 3.26Å; I25-P27 WeakPolarHBondContact O-CD 3.44Å; I25-P27 VanDerWaalsContact O-N 3.16Å; I25-L51 HydrophobicContact CD1-CD1 3.64Å; I25-L51 HydrophobicContact CD1-CD2 4.3Å; I25-L51 HydrophobicContact CD1-CG 3.66Å; I25-I170 HydrophobicContact CD1-CD1 4.41Å
26	T	82.8	Confident	83	Confident	69 Å²	69	52 Å²	52	42%	0.423	33%	0.33	S	S	.	.			trans	-62.5	116.5	172.7	-54.2	0	0	0	0	109.7	F14	F14-T26 HydrophobicContact CE2-CG2 4.36Å
27	P	86.3	Confident	83.3	Confident	0 Å²	0	48 Å²	48	0%	0	32%	0.315	C	S	.	.			trans	-70.1	137.6	-175.9	27.5	-33.7	0	0	0	111.3	I25 N40 W46 H54	I25-P27 VanDerWaalsContact O-CD 3.26Å; I25-P27 WeakPolarHBondContact O-CD 3.44Å; I25-P27 VanDerWaalsContact O-N 3.16Å; P27-N40 WeakPolarHBondContact O-CA 3.34Å; P27-W46 HydrophobicContact CB-CD2 3.65Å; P27-W46 VanDerWaalsContact CB-CE2 3.5Å; P27-W46 HydrophobicContact CB-CE3 4.03Å; P27-W46 HydrophobicContact CB-CG 4.07Å; P27-W46 HydrophobicContact CB-CH2 4Å; P27-W46 HydrophobicContact CB-CZ2 3.7Å; P27-W46 HydrophobicContact CB-CZ3 4.19Å; P27-W46 HydrophobicContact CG-CD2 3.93Å; P27-W46 HydrophobicContact CG-CG 4.2Å; P27-W46 HydrophobicContact CG-CH2 4.29Å; P27-W46 HydrophobicContact CG-CZ2 3.51Å; P27-W46 VanDerWaalsContact CG-NE1 3.26Å; P27-W46 WeakPolarHBondContact O-CH2 3.37Å; P27-W46 WeakPolarHBondContact O-CZ2 3.41Å; P27-H54 HydrophobicContact CB-CB 4.22Å
28	L	88.7	Confident	83.3	Confident	59 Å²	59	48.5 Å²	48.5	31%	0.309	32%	0.32	S	S	.	.			trans	-129.4	129.7	176.2	-179.8	70.4	0	0	0	109	F30 N40 H54	L28-F30 PolarHBondContact O-N 3.39Å; L28-N40 HydrophobicContact CD1-CB 3.88Å; L28-H54 VanDerWaalsContact O-O 3.12Å
29	C	92.7	Very high	83.6	Confident	12 Å²	12	51.1 Å²	51.1	8%	0.081	30%	0.304	C	S	.	.	B	Isolated β-bridge	trans	-70.2	112.4	176.5	-176.2	0	0	0	0	110.2	A31 C37 R39 W46 H54 C56	C29-A31 VanDerWaalsContact C-N 3.35Å; C29-C37 VanDerWaalsContact SG-SG 3.69Å; C29-R39 WeakPolarHBondContact CB-O 3.41Å; C29-R39 PolarHBondContact N-O 3.41Å; C29-W46 HydrophobicContact CB-CZ3 4.01Å; C29-H54 VanDerWaalsContact CA-O 3.31Å; C29-H54 WeakPolarHBondContact CA-O 3.37Å; C29-C56 HydrophobicContact CB-CB 4.08Å; C29-C56 PolarHBondContact SG-N 3.21Å; C29-C56 VanDerWaalsContact SG-N 3.44Å
30	F	92.1	Very high	83.7	Confident	45 Å²	45	50.9 Å²	50.9	20%	0.197	30%	0.303	C	S	.	.	S	Bend	trans	-77.6	-19.3	177.9	66.3	-104.7	0	0	0	113.6	L28 F49 E53 H54 V55 L109 M113 L114	L28-F30 PolarHBondContact O-N 3.39Å; F30-F49 HydrophobicContact CE1-CD2 4.01Å; F30-F49 HydrophobicContact CE1-CE2 4.32Å; F30-F49 HydrophobicContact CE1-CG 4.18Å; F30-F49 HydrophobicContact CZ-CD1 4.29Å; F30-F49 HydrophobicContact CZ-CD2 4.18Å; F30-F49 HydrophobicContact CZ-CE1 4.2Å; F30-F49 HydrophobicContact CZ-CE2 4.13Å; F30-F49 HydrophobicContact CZ-CG 4.27Å; F30-F49 HydrophobicContact CZ-CZ 4.13Å; F30-E53 HydrophobicContact CE1-CB 4.45Å; F30-H54 WeakPolarHBondContact CD1-O 3.41Å; F30-H54 PolarHBondContact N-O 3.42Å; F30-H54 VanDerWaalsContact N-O 3.09Å; F30-V55 HydrophobicContact CD1-CG2 3.96Å; F30-V55 HydrophobicContact CD2-CG2 4.4Å; F30-V55 HydrophobicContact CE1-CG2 3.37Å; F30-V55 HydrophobicContact CE2-CG2 3.86Å; F30-V55 HydrophobicContact CG-CG2 4.44Å; F30-V55 HydrophobicContact CZ-CG2 3.3Å; F30-L109 HydrophobicContact CE2-CB 4.44Å; F30-M113 HydrophobicContact CD2-CB 4.19Å; F30-M113 HydrophobicContact CE2-CB 3.97Å; F30-L114 HydrophobicContact CD1-CD2 4.04Å; F30-L114 HydrophobicContact CD2-CD2 4.36Å; F30-L114 HydrophobicContact CE1-CD2 3.64Å; F30-L114 HydrophobicContact CE2-CD2 4.01Å; F30-L114 HydrophobicContact CE2-CG 4.19Å; F30-L114 HydrophobicContact CG-CD2 4.39Å; F30-L114 HydrophobicContact CZ-CD2 3.63Å; F30-L114 HydrophobicContact CZ-CG 4.02Å
31	A	90.2	Very high	84	Confident	14 Å²	14	51.4 Å²	51.4	12%	0.116	29%	0.291	C	S	.	.			trans	-77.3	-50.9	-173.1	0	0	0	0	0	113.3	C29 I33 V55 C59 L109	C29-A31 VanDerWaalsContact C-N 3.35Å; A31-I33 HydrophobicContact CB-CG1 4.47Å; A31-I33 HydrophobicContact CB-CG2 4.43Å; A31-I33 WeakPolarHBondContact O-CG2 3.49Å; A31-I33 PolarHBondContact O-N 3.44Å; A31-I33 VanDerWaalsContact O-N 3.12Å; A31-V55 HydrophobicContact CB-CG1 4.13Å; A31-V55 HydrophobicContact CB-CG2 4.33Å; A31-C59 HydrophobicContact CB-CB 4.21Å; A31-L109 HydrophobicContact CB-CD2 3.91Å
32	G	87.3	Confident	84.1	Confident	27 Å²	27	49 Å²	49	28%	0.278	28%	0.275	S	S	.	.			trans	57.1	25.5	178.2	0	0	0	0	0	116.2
33	I	86.2	Confident	83.9	Confident	17 Å²	17	57.3 Å²	57.3	9%	0.087	31%	0.311	C	S	.	.			trans	-88.3	-23.9	-170.5	60.7	175	0	0	0	114.8	A31 C59 F62 L63 W79 L109 M113	A31-I33 HydrophobicContact CB-CG1 4.47Å; A31-I33 HydrophobicContact CB-CG2 4.43Å; A31-I33 WeakPolarHBondContact O-CG2 3.49Å; A31-I33 PolarHBondContact O-N 3.44Å; A31-I33 VanDerWaalsContact O-N 3.12Å; I33-C59 HydrophobicContact CG1-CB 3.98Å; I33-F62 HydrophobicContact CD1-CD1 4.14Å; I33-F62 HydrophobicContact CG1-CD1 4.42Å; I33-L63 HydrophobicContact CD1-CD1 3.86Å; I33-L63 HydrophobicContact CD1-CD2 3.94Å; I33-L63 HydrophobicContact CD1-CG 3.73Å; I33-W79 HydrophobicContact CB-CD2 4.31Å; I33-W79 HydrophobicContact CB-CG 4.08Å; I33-W79 HydrophobicContact CG2-CD2 3.78Å; I33-W79 HydrophobicContact CG2-CE3 4.32Å; I33-W79 HydrophobicContact CG2-CG 4.08Å; I33-W79 HydrophobicContact CG2-CH2 4.43Å; I33-W79 HydrophobicContact CG2-CZ2 3.92Å; I33-L109 HydrophobicContact CD1-CD2 4.41Å; I33-M113 HydrophobicContact CG2-SD 4.33Å
34	D	85.4	Confident	84.3	Confident	13 Å²	13	56.8 Å²	56.8	7%	0.07	31%	0.305	C	S	.	.	S	Bend	trans	-95.2	143.4	178	-175.1	-95.3	0	0	0	110.2	L36 C37 F62	D34-L36 PolarHBondContact O-N 2.82Å; D34-L36 VanDerWaalsContact OD1-CA 3.22Å; D34-L36 WeakPolarHBondContact OD1-CA 3.49Å; D34-L36 WeakPolarHBondContact OD1-CB 3.26Å; D34-L36 PolarHBondContact OD1-N 3.25Å; D34-C37 WeakPolarHBondContact O-CB 3.48Å; D34-C37 PolarHBondContact O-N 3.09Å; D34-F62 HydrophobicContact CB-CB 4.28Å; D34-F62 HydrophobicContact CB-CD2 4.46Å; D34-F62 HydrophobicContact CB-CG 4.35Å; D34-F62 WeakPolarHBondContact OD2-CD2 3.46Å
35	T	82.9	Confident	84.9	Confident	130 Å²	130	56.7 Å²	56.7	80%	0.798	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.5	-25.9	179.9	52.2	0	0	0	0	112.3	C37	T35-C37 VanDerWaalsContact C-N 3.32Å
36	L	85.7	Confident	85.4	Confident	117 Å²	117	56.6 Å²	56.6	61%	0.613	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.6	20.1	173.1	-50.6	173.7	0	0	0	111.9	D34 A38 N58	D34-L36 PolarHBondContact O-N 2.82Å; D34-L36 VanDerWaalsContact OD1-CA 3.22Å; D34-L36 WeakPolarHBondContact OD1-CA 3.49Å; D34-L36 WeakPolarHBondContact OD1-CB 3.26Å; D34-L36 PolarHBondContact OD1-N 3.25Å; L36-A38 PolarHBondContact O-N 3.46Å; L36-A38 VanDerWaalsContact O-N 3.08Å; L36-N58 PolarHBondContact O-ND2 3.02Å
37	C	88.8	Confident	85.8	Confident	21 Å²	21	57 Å²	57	14%	0.142	29%	0.288	C	S	.	.			trans	-50.9	120.9	176.1	175.5	0	0	0	0	110.7	C29 D34 T35 R39 C59	C29-C37 VanDerWaalsContact SG-SG 3.69Å; D34-C37 WeakPolarHBondContact O-CB 3.48Å; D34-C37 PolarHBondContact O-N 3.09Å; T35-C37 VanDerWaalsContact C-N 3.32Å; C37-R39 PolarHBondContact O-N 2.77Å; C37-R39 PolarHBondContact SG-N 3.17Å; C37-R39 VanDerWaalsContact SG-N 3.35Å; C37-C59 VanDerWaalsContact SG-SG 3.63Å
38	A	86.6	Confident	86.1	Confident	20 Å²	20	57.6 Å²	57.6	17%	0.165	29%	0.291	C	S	.	.			trans	-64.7	-13.2	-179.7	0	0	0	0	0	114.2	L36 N40 R41 C42 C56	L36-A38 PolarHBondContact O-N 3.46Å; L36-A38 VanDerWaalsContact O-N 3.08Å; A38-N40 PolarHBondContact O-N 3.32Å; A38-R41 WeakPolarHBondContact O-CA 3.41Å; A38-R41 PolarHBondContact O-N 3.27Å; A38-C42 HydrophobicContact CB-CB 3.82Å; A38-C56 HydrophobicContact CB-CB 3.78Å; A38-C56 PolarHBondContact N-SG 3.35Å
39	R	87.3	Confident	86.3	Confident	134 Å²	134	54.9 Å²	54.9	51%	0.506	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.2	-99.5	-175.8	-60.7	176.1	179.6	176.8	0.7	111.8	C29 C37 W46	C29-R39 WeakPolarHBondContact CB-O 3.41Å; C29-R39 PolarHBondContact N-O 3.41Å; C37-R39 PolarHBondContact O-N 2.77Å; C37-R39 PolarHBondContact SG-N 3.17Å; C37-R39 VanDerWaalsContact SG-N 3.35Å; R39-W46 WeakPolarHBondContact O-CH2 3.31Å
40	N	84.1	Confident	86.3	Confident	21 Å²	21	54.4 Å²	54.4	11%	0.112	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114.2	11.1	174.1	62	-21.5	0	0	0	113.2	P27 L28 A38	P27-N40 WeakPolarHBondContact O-CA 3.34Å; L28-N40 HydrophobicContact CD1-CB 3.88Å; A38-N40 PolarHBondContact O-N 3.32Å
41	R	81.9	Confident	86.2	Confident	119 Å²	119	52.9 Å²	52.9	45%	0.449	27%	0.267	S	S	.	.			trans	-118.3	34	-171.2	-52.4	-177.6	-175.4	178.9	-3.6	112.4	A38 K43	A38-R41 WeakPolarHBondContact O-CA 3.41Å; A38-R41 PolarHBondContact O-N 3.27Å; R41-K43 PolarHBondContact O-N 3.46Å
42	C	77.6	Confident	86.2	Confident	3 Å²	3	52.4 Å²	52.4	2%	0.02	26%	0.264	C	S	.	.			trans	-68.9	121.5	-178.7	-159.4	0	0	0	0	110	K15 A38 T44 W46 C56	K15-C42 PolarHBondContact N-O 3.38Å; A38-C42 HydrophobicContact CB-CB 3.82Å; C42-T44 PolarHBondContact SG-O 3.15Å; C42-T44 VanDerWaalsContact SG-O 3.32Å; C42-T44 PolarHBondContact SG-OG1 2.89Å; C42-W46 HydrophobicContact CB-CD2 3.95Å; C42-W46 HydrophobicContact CB-CE3 4.42Å; C42-W46 HydrophobicContact CB-CH2 3.88Å; C42-W46 HydrophobicContact CB-CZ2 3.26Å; C42-W46 HydrophobicContact CB-CZ3 4.4Å; C42-C56 HydrophobicContact CB-CB 4.33Å
43	K	77	Confident	86.4	Confident	173 Å²	173	51.5 Å²	51.5	75%	0.752	25%	0.253	S	S	*	.	S	Bend	trans	-85.5	-21.9	172.9	-62	-173.4	177.8	-172.3	0	112.2	R41	R41-K43 PolarHBondContact O-N 3.46Å
44	T	77.1	Confident	86.8	Confident	70 Å²	70	50.7 Å²	50.7	43%	0.429	25%	0.248	S	C	.	.	S	Bend	trans	-93.9	178.1	176.2	56.5	0	0	0	0	111.2	C42 S57	C42-T44 PolarHBondContact SG-O 3.15Å; C42-T44 VanDerWaalsContact SG-O 3.32Å; C42-T44 PolarHBondContact SG-OG1 2.89Å; T44-S57 WeakPolarHBondContact CB-OG 3.27Å; T44-S57 WeakPolarHBondContact OG1-CB 3.49Å; T44-S57 PolarHBondContact OG1-OG 3.44Å
45	N	82.8	Confident	87.2	Confident	101 Å²	101	50 Å²	50	54%	0.54	25%	0.245	S	C	.	.			trans	-63.2	142.2	178.9	-71.5	-15.9	0	0	0	112.7	K15 S57	K15-N45 WeakPolarHBondContact CE-OD1 2.99Å; K15-N45 PolarHBondContact NZ-OD1 3.35Å; N45-S57 PolarHBondContact O-OG 2.88Å
46	W	89.3	Confident	87.6	Confident	23 Å²	23	43.9 Å²	43.9	9%	0.087	21%	0.207	C	C	.	.			trans	-83.5	139.3	171.4	-68.4	92.8	0	0	0	111.4	K15 P27 C29 R39 C42 H48 H54 C56	K15-W46 PolarHBondContact O-NE1 3.03Å; P27-W46 HydrophobicContact CB-CD2 3.65Å; P27-W46 VanDerWaalsContact CB-CE2 3.5Å; P27-W46 HydrophobicContact CB-CE3 4.03Å; P27-W46 HydrophobicContact CB-CG 4.07Å; P27-W46 HydrophobicContact CB-CH2 4Å; P27-W46 HydrophobicContact CB-CZ2 3.7Å; P27-W46 HydrophobicContact CB-CZ3 4.19Å; P27-W46 HydrophobicContact CG-CD2 3.93Å; P27-W46 HydrophobicContact CG-CG 4.2Å; P27-W46 HydrophobicContact CG-CH2 4.29Å; P27-W46 HydrophobicContact CG-CZ2 3.51Å; P27-W46 VanDerWaalsContact CG-NE1 3.26Å; P27-W46 WeakPolarHBondContact O-CH2 3.37Å; P27-W46 WeakPolarHBondContact O-CZ2 3.41Å; C29-W46 HydrophobicContact CB-CZ3 4.01Å; R39-W46 WeakPolarHBondContact O-CH2 3.31Å; C42-W46 HydrophobicContact CB-CD2 3.95Å; C42-W46 HydrophobicContact CB-CE3 4.42Å; C42-W46 HydrophobicContact CB-CH2 3.88Å; C42-W46 HydrophobicContact CB-CZ2 3.26Å; C42-W46 HydrophobicContact CB-CZ3 4.4Å; W46-H48 PolarHBondContact O-N 3.43Å; W46-H54 HydrophobicContact CD2-CB 4.45Å; W46-H54 HydrophobicContact CE3-CB 3.74Å; W46-H54 HydrophobicContact CZ3-CB 4.2Å; W46-C56 HydrophobicContact CE3-CB 4.31Å; W46-C56 HydrophobicContact CZ3-CB 4Å
47	Y	91.9	Very high	87.8	Confident	77 Å²	77	38.6 Å²	38.6	30%	0.302	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	111.9	165.6	-70.7	-88.9	0	0	0	108.2	H54 V55 Y60	Y47-H54 WeakPolarHBondContact O-CA 3.38Å; Y47-V55 PolarHBondContact N-O 3.37Å; Y47-V55 PolarHBondContact O-N 3.11Å; Y47-Y60 AromaticContact CD1-CD1 3.72Å; Y47-Y60 HydrophobicContact CD1-CD1 3.72Å; Y47-Y60 AromaticContact CD1-CD2 3.9Å; Y47-Y60 HydrophobicContact CD1-CD2 3.9Å; Y47-Y60 AromaticContact CD1-CE1 3.73Å; Y47-Y60 HydrophobicContact CD1-CE1 3.73Å; Y47-Y60 AromaticContact CD1-CE2 3.94Å; Y47-Y60 HydrophobicContact CD1-CE2 3.94Å; Y47-Y60 AromaticContact CD1-CG 3.8Å; Y47-Y60 HydrophobicContact CD1-CG 3.8Å; Y47-Y60 AromaticContact CD1-CZ 3.85Å; Y47-Y60 VanDerWaalsContact CD2-CB 3.46Å; Y47-Y60 AromaticContact CD2-CD1 3.91Å; Y47-Y60 HydrophobicContact CD2-CD1 3.91Å; Y47-Y60 HydrophobicContact CD2-CD2 4.21Å; Y47-Y60 AromaticContact CD2-CG 3.6Å; Y47-Y60 HydrophobicContact CD2-CG 3.6Å; Y47-Y60 AromaticContact CE1-CD1 3.31Å; Y47-Y60 HydrophobicContact CE1-CD1 3.31Å; Y47-Y60 HydrophobicContact CE1-CD2 4.35Å; Y47-Y60 AromaticContact CE1-CE1 3.25Å; Y47-Y60 HydrophobicContact CE1-CE1 3.25Å; Y47-Y60 HydrophobicContact CE1-CE2 4.33Å; Y47-Y60 AromaticContact CE1-CG 3.87Å; Y47-Y60 HydrophobicContact CE1-CG 3.87Å; Y47-Y60 AromaticContact CE1-CZ 3.82Å; Y47-Y60 AromaticContact CE2-CD1 3.52Å; Y47-Y60 HydrophobicContact CE2-CD1 3.52Å; Y47-Y60 HydrophobicContact CE2-CE1 4.34Å; Y47-Y60 AromaticContact CE2-CG 3.69Å; Y47-Y60 HydrophobicContact CE2-CG 3.69Å; Y47-Y60 AromaticContact CG-CD1 3.99Å; Y47-Y60 HydrophobicContact CG-CD1 3.99Å; Y47-Y60 AromaticContact CG-CD2 3.82Å; Y47-Y60 HydrophobicContact CG-CD2 3.82Å; Y47-Y60 HydrophobicContact CG-CE1 4.43Å; Y47-Y60 HydrophobicContact CG-CE2 4.3Å; Y47-Y60 AromaticContact CG-CG 3.65Å; Y47-Y60 HydrophobicContact CG-CG 3.65Å; Y47-Y60 AromaticContact CZ-CD1 3.17Å; Y47-Y60 AromaticContact CZ-CE1 3.6Å; Y47-Y60 AromaticContact CZ-CG 3.8Å
48	H	92.2	Very high	87.8	Confident	13 Å²	13	40.5 Å²	40.5	6%	0.06	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	136	-176.3	177.3	85.3	0	0	0	110.7	N19 C22 W46 S50 H54 S181 Q183	N19-H48 PolarHBondContact ND2-CD2 2.8Å; N19-H48 VanDerWaalsContact ND2-CD2 3.26Å; N19-H48 PolarHBondContact ND2-NE2 3.43Å; C22-H48 PolarHBondContact SG-CE1 3.25Å; W46-H48 PolarHBondContact O-N 3.43Å; H48-S50 PolarHBondContact CE1-O 3.27Å; H48-H54 AromaticContact ND1-CD2 3.67Å; H48-H54 AromaticContact ND1-NE2 3.19Å; H48-H54 PolarHBondContact ND1-NE2 3.02Å; H48-H54 VanDerWaalsContact ND1-NE2 3.19Å; H48-S181 PolarHBondContact NE2-O 2.83Å; H48-Q183 PolarHBondContact O-OE1 3.37Å; H48-Q183 VanDerWaalsContact O-OE1 3.1Å
49	F	94.1	Very high	88	Confident	3 Å²	3	39.6 Å²	39.6	1%	0.013	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	-54.8	175.9	-78.5	-112.9	0	0	0	110.5	F30 E53 V55 A106 L109 A110 M182 Q183 T184	F30-F49 HydrophobicContact CE1-CD2 4.01Å; F30-F49 HydrophobicContact CE1-CE2 4.32Å; F30-F49 HydrophobicContact CE1-CG 4.18Å; F30-F49 HydrophobicContact CZ-CD1 4.29Å; F30-F49 HydrophobicContact CZ-CD2 4.18Å; F30-F49 HydrophobicContact CZ-CE1 4.2Å; F30-F49 HydrophobicContact CZ-CE2 4.13Å; F30-F49 HydrophobicContact CZ-CG 4.27Å; F30-F49 HydrophobicContact CZ-CZ 4.13Å; F49-E53 HydrophobicContact CB-CB 4.14Å; F49-E53 PolarHBondContact N-O 3.35Å; F49-V55 HydrophobicContact CD2-CG2 4.2Å; F49-V55 HydrophobicContact CE2-CB 4.13Å; F49-V55 HydrophobicContact CE2-CG2 3.59Å; F49-V55 HydrophobicContact CZ-CG2 4.18Å; F49-A106 HydrophobicContact CE1-CB 4.26Å; F49-A106 VanDerWaalsContact CE1-O 3.23Å; F49-A106 WeakPolarHBondContact CE1-O 3.39Å; F49-A106 HydrophobicContact CZ-CB 4.08Å; F49-L109 HydrophobicContact CE1-CB 4.14Å; F49-L109 HydrophobicContact CZ-CB 3.81Å; F49-L109 HydrophobicContact CZ-CD1 4.15Å; F49-A110 HydrophobicContact CD1-CB 4.18Å; F49-A110 HydrophobicContact CE1-CB 3.97Å; F49-M182 WeakPolarHBondContact O-CA 3.46Å; F49-Q183 PolarHBondContact O-N 3.02Å; F49-T184 HydrophobicContact CD1-CG2 4.16Å; F49-T184 HydrophobicContact CE1-CG2 4.14Å; F49-T184 PolarHBondContact O-N 3.43Å
50	S	92.6	Very high	88.1	Confident	1 Å²	1	35 Å²	35	1%	0.007	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.4	179.6	175.3	79.3	0	0	0	0	109.3	H48 G52 E53 F178	H48-S50 PolarHBondContact CE1-O 3.27Å; S50-G52 PolarHBondContact O-N 3.27Å; S50-E53 PolarHBondContact O-N 3.34Å; S50-E53 WeakPolarHBondContact OG-CG 3.45Å; S50-E53 PolarHBondContact OG-OE2 3.48Å; S50-F178 WeakPolarHBondContact OG-CE2 3.17Å
51	L	89.8	Confident	88.3	Confident	13 Å²	13	38.4 Å²	38.4	7%	0.068	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-46.7	112.6	175.3	-173.1	76.6	0	0	0	112.4	C21 I25 E53 I170 V171 F178 S181 L294	C21-L51 HydrophobicContact CB-CD1 4.22Å; C21-L51 WeakPolarHBondContact O-CD1 3.36Å; I25-L51 HydrophobicContact CD1-CD1 3.64Å; I25-L51 HydrophobicContact CD1-CD2 4.3Å; I25-L51 HydrophobicContact CD1-CG 3.66Å; L51-E53 PolarHBondContact O-N 3.19Å; L51-I170 HydrophobicContact CD2-CB 4.1Å; L51-I170 HydrophobicContact CD2-CG2 3.47Å; L51-I170 VanDerWaalsContact CD2-CG2 3.47Å; L51-V171 HydrophobicContact CD2-CG2 4.07Å; L51-F178 HydrophobicContact CB-CD2 3.75Å; L51-F178 HydrophobicContact CB-CE2 4.22Å; L51-S181 PolarHBondContact N-OG 3.44Å; L51-L294 VanDerWaalsContact O-CD1 3.22Å; L51-L294 WeakPolarHBondContact O-CD1 3.41Å
52	G	88.8	Confident	88.5	Confident	5 Å²	5	33.8 Å²	33.8	5%	0.052	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.7	4.9	178.5	0	0	0	0	0	115.7	C22 S50 R167	C22-G52 PolarHBondContact SG-N 3.3Å; C22-G52 VanDerWaalsContact SG-N 3.39Å; S50-G52 PolarHBondContact O-N 3.27Å; G52-R167 PolarHBondContact O-NH1 3.34Å
53	E	93.3	Very high	88.9	Confident	7 Å²	7	34.1 Å²	34.1	3%	0.033	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	109.1	176.5	-63.8	-176.2	148.2	0	0	110.4	F30 F49 S50 L51 L114 G293 L294	F30-E53 HydrophobicContact CE1-CB 4.45Å; F49-E53 HydrophobicContact CB-CB 4.14Å; F49-E53 PolarHBondContact N-O 3.35Å; S50-E53 PolarHBondContact O-N 3.34Å; S50-E53 WeakPolarHBondContact OG-CG 3.45Å; S50-E53 PolarHBondContact OG-OE2 3.48Å; L51-E53 PolarHBondContact O-N 3.19Å; E53-L114 HydrophobicContact CB-CD2 4.12Å; E53-L114 HydrophobicContact CG-CD2 4.14Å; E53-G293 WeakPolarHBondContact OE1-CA 3.22Å; E53-L294 HydrophobicContact CG-CD1 4.03Å; E53-L294 HydrophobicContact CG-CG 4.47Å; E53-L294 PolarHBondContact OE1-N 2.85Å
54	H	93.4	Very high	89	Confident	0 Å²	0	29.5 Å²	29.5	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	154	-171.8	-55.9	92.3	0	0	0	112.9	C17 C22 P27 L28 C29 F30 W46 Y47 H48	C17-H54 WeakPolarHBondContact CB-NE2 3.29Å; C17-H54 PolarHBondContact SG-NE2 2.79Å; C22-H54 PolarHBondContact SG-CE1 3.28Å; C22-H54 PolarHBondContact SG-NE2 2.95Å; C22-H54 VanDerWaalsContact SG-NE2 3.38Å; P27-H54 HydrophobicContact CB-CB 4.22Å; L28-H54 VanDerWaalsContact O-O 3.12Å; C29-H54 VanDerWaalsContact CA-O 3.31Å; C29-H54 WeakPolarHBondContact CA-O 3.37Å; F30-H54 WeakPolarHBondContact CD1-O 3.41Å; F30-H54 PolarHBondContact N-O 3.42Å; F30-H54 VanDerWaalsContact N-O 3.09Å; W46-H54 HydrophobicContact CD2-CB 4.45Å; W46-H54 HydrophobicContact CE3-CB 3.74Å; W46-H54 HydrophobicContact CZ3-CB 4.2Å; Y47-H54 WeakPolarHBondContact O-CA 3.38Å; H48-H54 AromaticContact ND1-CD2 3.67Å; H48-H54 AromaticContact ND1-NE2 3.19Å; H48-H54 PolarHBondContact ND1-NE2 3.02Å; H48-H54 VanDerWaalsContact ND1-NE2 3.19Å
55	V	93.7	Very high	88.5	Confident	0 Å²	0	27.9 Å²	27.9	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	134.9	171.1	-178.6	0	0	0	0	109.2	F30 A31 Y47 F49 C59 L109	F30-V55 HydrophobicContact CD1-CG2 3.96Å; F30-V55 HydrophobicContact CD2-CG2 4.4Å; F30-V55 HydrophobicContact CE1-CG2 3.37Å; F30-V55 HydrophobicContact CE2-CG2 3.86Å; F30-V55 HydrophobicContact CG-CG2 4.44Å; F30-V55 HydrophobicContact CZ-CG2 3.3Å; A31-V55 HydrophobicContact CB-CG1 4.13Å; A31-V55 HydrophobicContact CB-CG2 4.33Å; Y47-V55 PolarHBondContact N-O 3.37Å; Y47-V55 PolarHBondContact O-N 3.11Å; F49-V55 HydrophobicContact CD2-CG2 4.2Å; F49-V55 HydrophobicContact CE2-CB 4.13Å; F49-V55 HydrophobicContact CE2-CG2 3.59Å; F49-V55 HydrophobicContact CZ-CG2 4.18Å; V55-C59 HydrophobicContact CG1-CB 3.71Å; V55-L109 HydrophobicContact CG1-CD1 4.17Å; V55-L109 HydrophobicContact CG2-CD1 4.25Å
56	C	92.4	Very high	87.2	Confident	0 Å²	0	30.8 Å²	30.8	0%	0	15%	0.153	C	C	.	.			trans	-74.3	156.3	176.2	68.3	0	0	0	0	111.3	C29 A38 C42 W46 N58 C59 Y60	C29-C56 HydrophobicContact CB-CB 4.08Å; C29-C56 PolarHBondContact SG-N 3.21Å; C29-C56 VanDerWaalsContact SG-N 3.44Å; A38-C56 HydrophobicContact CB-CB 3.78Å; A38-C56 PolarHBondContact N-SG 3.35Å; C42-C56 HydrophobicContact CB-CB 4.33Å; W46-C56 HydrophobicContact CE3-CB 4.31Å; W46-C56 HydrophobicContact CZ3-CB 4Å; C56-N58 VanDerWaalsContact C-N 3.29Å; C56-N58 PolarHBondContact O-N 3.08Å; C56-C59 PolarHBondContact O-N 3.28Å; C56-C59 VanDerWaalsContact SG-SG 3.62Å; C56-Y60 PolarHBondContact O-N 3.23Å; C56-Y60 VanDerWaalsContact O-N 3.14Å
57	S	90.2	Very high	85.1	Confident	7 Å²	7	33.2 Å²	33.2	5%	0.049	17%	0.171	C	C	.	.	H	α-helix	trans	-57.9	-41	-175.6	-41.1	0	0	0	0	113.1	T44 N45 C59 Y60 E61	T44-S57 WeakPolarHBondContact CB-OG 3.27Å; T44-S57 WeakPolarHBondContact OG1-CB 3.49Å; T44-S57 PolarHBondContact OG1-OG 3.44Å; N45-S57 PolarHBondContact O-OG 2.88Å; S57-C59 PolarHBondContact O-N 2.84Å; S57-Y60 PolarHBondContact O-N 3.18Å; S57-Y60 VanDerWaalsContact O-N 3.14Å; S57-E61 WeakPolarHBondContact O-CB 3.08Å; S57-E61 WeakPolarHBondContact O-CG 3.3Å; S57-E61 PolarHBondContact O-N 3.47Å
58	N	88.2	Confident	82.8	Confident	61 Å²	61	33.5 Å²	33.5	33%	0.326	18%	0.184	S	C	.	.	H	α-helix	trans	-57.8	-47.9	-179.7	-61.4	-10.9	0	0	0	111.9	L36 C56 Y60 F62	L36-N58 PolarHBondContact O-ND2 3.02Å; C56-N58 VanDerWaalsContact C-N 3.29Å; C56-N58 PolarHBondContact O-N 3.08Å; N58-Y60 PolarHBondContact O-N 3.1Å; N58-F62 WeakPolarHBondContact O-CB 3.37Å; N58-F62 PolarHBondContact O-N 2.92Å
59	C	89.8	Confident	80.7	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-66	-38.1	177.5	-74.4	0	0	0	0	112.6	A31 I33 C37 V55 C56 S57	A31-C59 HydrophobicContact CB-CB 4.21Å; I33-C59 HydrophobicContact CG1-CB 3.98Å; C37-C59 VanDerWaalsContact SG-SG 3.63Å; V55-C59 HydrophobicContact CG1-CB 3.71Å; C56-C59 PolarHBondContact O-N 3.28Å; C56-C59 VanDerWaalsContact SG-SG 3.62Å; S57-C59 PolarHBondContact O-N 2.84Å
60	Y	91	Very high	78.5	Confident	37 Å²	37	44.2 Å²	44.2	15%	0.145	23%	0.231	C	C	.	.	H	α-helix	trans	-71.4	-46.3	-179	-172.2	-92.6	0	0	0	111.9	Y47 C56 S57 N58 F62 L63 N64 A105 A106 L109	Y47-Y60 AromaticContact CD1-CD1 3.72Å; Y47-Y60 HydrophobicContact CD1-CD1 3.72Å; Y47-Y60 AromaticContact CD1-CD2 3.9Å; Y47-Y60 HydrophobicContact CD1-CD2 3.9Å; Y47-Y60 AromaticContact CD1-CE1 3.73Å; Y47-Y60 HydrophobicContact CD1-CE1 3.73Å; Y47-Y60 AromaticContact CD1-CE2 3.94Å; Y47-Y60 HydrophobicContact CD1-CE2 3.94Å; Y47-Y60 AromaticContact CD1-CG 3.8Å; Y47-Y60 HydrophobicContact CD1-CG 3.8Å; Y47-Y60 AromaticContact CD1-CZ 3.85Å; Y47-Y60 VanDerWaalsContact CD2-CB 3.46Å; Y47-Y60 AromaticContact CD2-CD1 3.91Å; Y47-Y60 HydrophobicContact CD2-CD1 3.91Å; Y47-Y60 HydrophobicContact CD2-CD2 4.21Å; Y47-Y60 AromaticContact CD2-CG 3.6Å; Y47-Y60 HydrophobicContact CD2-CG 3.6Å; Y47-Y60 AromaticContact CE1-CD1 3.31Å; Y47-Y60 HydrophobicContact CE1-CD1 3.31Å; Y47-Y60 HydrophobicContact CE1-CD2 4.35Å; Y47-Y60 AromaticContact CE1-CE1 3.25Å; Y47-Y60 HydrophobicContact CE1-CE1 3.25Å; Y47-Y60 HydrophobicContact CE1-CE2 4.33Å; Y47-Y60 AromaticContact CE1-CG 3.87Å; Y47-Y60 HydrophobicContact CE1-CG 3.87Å; Y47-Y60 AromaticContact CE1-CZ 3.82Å; Y47-Y60 AromaticContact CE2-CD1 3.52Å; Y47-Y60 HydrophobicContact CE2-CD1 3.52Å; Y47-Y60 HydrophobicContact CE2-CE1 4.34Å; Y47-Y60 AromaticContact CE2-CG 3.69Å; Y47-Y60 HydrophobicContact CE2-CG 3.69Å; Y47-Y60 AromaticContact CG-CD1 3.99Å; Y47-Y60 HydrophobicContact CG-CD1 3.99Å; Y47-Y60 AromaticContact CG-CD2 3.82Å; Y47-Y60 HydrophobicContact CG-CD2 3.82Å; Y47-Y60 HydrophobicContact CG-CE1 4.43Å; Y47-Y60 HydrophobicContact CG-CE2 4.3Å; Y47-Y60 AromaticContact CG-CG 3.65Å; Y47-Y60 HydrophobicContact CG-CG 3.65Å; Y47-Y60 AromaticContact CZ-CD1 3.17Å; Y47-Y60 AromaticContact CZ-CE1 3.6Å; Y47-Y60 AromaticContact CZ-CG 3.8Å; C56-Y60 PolarHBondContact O-N 3.23Å; C56-Y60 VanDerWaalsContact O-N 3.14Å; S57-Y60 PolarHBondContact O-N 3.18Å; S57-Y60 VanDerWaalsContact O-N 3.14Å; N58-Y60 PolarHBondContact O-N 3.1Å; Y60-F62 VanDerWaalsContact C-N 3.35Å; Y60-F62 PolarHBondContact O-N 3.38Å; Y60-L63 PolarHBondContact O-N 3.44Å; Y60-N64 WeakPolarHBondContact CD1-ND2 3.48Å; Y60-N64 WeakPolarHBondContact CE1-ND2 3.41Å; Y60-N64 PolarHBondContact O-ND2 3.02Å; Y60-A105 HydrophobicContact CD2-CB 4.43Å; Y60-A105 HydrophobicContact CE2-CB 3.96Å; Y60-A106 HydrophobicContact CE2-CB 4.11Å; Y60-L109 HydrophobicContact CD2-CD1 3.84Å; Y60-L109 HydrophobicContact CE2-CD1 4.41Å
61	E	87.5	Confident	76.2	Confident	93 Å²	93	54 Å²	54	44%	0.435	27%	0.268	S	S	.	.	H	α-helix	trans	-67.2	-35.8	179.8	-72.2	178.2	-168.4	0	0	112	S57 L63 N64 T65	S57-E61 WeakPolarHBondContact O-CB 3.08Å; S57-E61 WeakPolarHBondContact O-CG 3.3Å; S57-E61 PolarHBondContact O-N 3.47Å; E61-L63 PolarHBondContact O-N 2.84Å; E61-N64 PolarHBondContact O-N 3.02Å; E61-T65 HydrophobicContact CB-CG2 4.46Å; E61-T65 WeakPolarHBondContact O-CG2 3.34Å; E61-T65 PolarHBondContact O-N 3.28Å; E61-T65 PolarHBondContact O-OG1 3.49Å; E61-T65 VanDerWaalsContact O-OG1 3.11Å
62	F	85.9	Confident	74.2	Confident	22 Å²	22	58.6 Å²	58.6	10%	0.096	30%	0.302	C	S	.	.	H	α-helix	trans	-50.5	-33.6	175.5	179.1	-97.4	0	0	0	113.6	I33 D34 N58 Y60 W79 R80	I33-F62 HydrophobicContact CD1-CD1 4.14Å; I33-F62 HydrophobicContact CG1-CD1 4.42Å; D34-F62 HydrophobicContact CB-CB 4.28Å; D34-F62 HydrophobicContact CB-CD2 4.46Å; D34-F62 HydrophobicContact CB-CG 4.35Å; D34-F62 WeakPolarHBondContact OD2-CD2 3.46Å; N58-F62 WeakPolarHBondContact O-CB 3.37Å; N58-F62 PolarHBondContact O-N 2.92Å; Y60-F62 VanDerWaalsContact C-N 3.35Å; Y60-F62 PolarHBondContact O-N 3.38Å; F62-W79 HydrophobicContact CE1-CB 4.18Å; F62-R80 VanDerWaalsContact CE2-NH2 3.26Å; F62-R80 PolarHBondContact O-NE 3.23Å; F62-R80 PolarHBondContact O-NH2 3.28Å
63	L	85.5	Confident	72.2	Confident	11 Å²	11	64.8 Å²	64.8	6%	0.058	33%	0.329	C	S	.	.	H	α-helix	trans	-81.5	-26.7	177	-68.6	175	0	0	0	114	I33 Y60 E61 W79 M83 A105 F108 L109	I33-L63 HydrophobicContact CD1-CD1 3.86Å; I33-L63 HydrophobicContact CD1-CD2 3.94Å; I33-L63 HydrophobicContact CD1-CG 3.73Å; Y60-L63 PolarHBondContact O-N 3.44Å; E61-L63 PolarHBondContact O-N 2.84Å; L63-W79 HydrophobicContact CD2-CB 4.39Å; L63-M83 HydrophobicContact CB-SD 3.93Å; L63-M83 HydrophobicContact CD2-CB 4.46Å; L63-M83 HydrophobicContact CD2-SD 4.09Å; L63-M83 HydrophobicContact CG-SD 4.42Å; L63-A105 HydrophobicContact CB-CB 4.02Å; L63-A105 HydrophobicContact CD1-CB 4.27Å; L63-F108 HydrophobicContact CD1-CD1 3.81Å; L63-F108 HydrophobicContact CD1-CE1 4.18Å; L63-F108 HydrophobicContact CD2-CD1 4.37Å; L63-F108 HydrophobicContact CD2-CE1 4.12Å; L63-L109 HydrophobicContact CD1-CD1 3.95Å; L63-L109 HydrophobicContact CD1-CD2 3.72Å; L63-L109 HydrophobicContact CD1-CG 3.71Å
64	N	79.4	Confident	69.9	Low	76 Å²	76	67.9 Å²	67.9	41%	0.406	35%	0.352	S	S	.	.	H	α-helix	trans	-95.1	-25.8	-176.7	-71.2	-42.2	0	0	0	113.5	Y60 E61 N66 A105	Y60-N64 WeakPolarHBondContact CD1-ND2 3.48Å; Y60-N64 WeakPolarHBondContact CE1-ND2 3.41Å; Y60-N64 PolarHBondContact O-ND2 3.02Å; E61-N64 PolarHBondContact O-N 3.02Å; N64-N66 PolarHBondContact O-N 3.45Å; N64-A105 WeakPolarHBondContact OD1-CB 3.33Å
65	T	67.3	Low	67.7	Low	36 Å²	36	74.5 Å²	74.5	22%	0.221	39%	0.392	C	S	.	.			trans	-77.5	114.1	-176	53.5	0	0	0	0	111.9	E61 T67	E61-T65 HydrophobicContact CB-CG2 4.46Å; E61-T65 WeakPolarHBondContact O-CG2 3.34Å; E61-T65 PolarHBondContact O-N 3.28Å; E61-T65 PolarHBondContact O-OG1 3.49Å; E61-T65 VanDerWaalsContact O-OG1 3.11Å; T65-T67 WeakPolarHBondContact CB-OG1 3.38Å; T65-T67 PolarHBondContact O-N 2.95Å
66	N	54.8	Low	65.6	Low	161 Å²	161	81 Å²	81	86%	0.861	43%	0.427	S	S	*	.			trans	-76.3	-2.3	157.7	-80.2	-17.3	0	0	0	112.4	N64 S68	N64-N66 PolarHBondContact O-N 3.45Å; N66-S68 PolarHBondContact O-N 3.3Å
67	T	44.8	Very low	64.4	Low	74 Å²	74	81.5 Å²	81.5	45%	0.454	43%	0.43	S	S	.	.			trans	-65.6	134.6	-164.7	55	0	0	0	0	112.7	T65 K69 H70	T65-T67 WeakPolarHBondContact CB-OG1 3.38Å; T65-T67 PolarHBondContact O-N 2.95Å; T67-K69 PolarHBondContact O-N 3.42Å; T67-H70 PolarHBondContact O-N 2.98Å
68	S	44.4	Very low	64	Low	83 Å²	83	85.4 Å²	85.4	58%	0.58	45%	0.453	S	S	*	.	G	3₁₀ helix	trans	-50.3	-21.8	177.8	51.2	0	0	0	0	115.3	N66 H70 R71	N66-S68 PolarHBondContact O-N 3.3Å; S68-H70 PolarHBondContact O-N 3.49Å; S68-H70 VanDerWaalsContact O-N 3.12Å; S68-R71 WeakPolarHBondContact O-CB 3.05Å; S68-R71 PolarHBondContact O-N 2.95Å
69	K	47.9	Very low	63.7	Low	179 Å²	179	85.6 Å²	85.6	78%	0.778	45%	0.449	S	S	*	.	G	3₁₀ helix	trans	-57.7	-24.5	179.1	-73.4	-172.5	177	-178.8	0	114.2	T67	T67-K69 PolarHBondContact O-N 3.42Å
70	H	47.4	Very low	63.3	Low	63 Å²	63	87.9 Å²	87.9	29%	0.292	46%	0.458	S	S	.	.	G	3₁₀ helix	trans	-102.1	2.6	175.3	-74	-77.4	0	0	0	114.2	T67 S68 S72 Q73	T67-H70 PolarHBondContact O-N 2.98Å; S68-H70 PolarHBondContact O-N 3.49Å; S68-H70 VanDerWaalsContact O-N 3.12Å; H70-S72 PolarHBondContact O-N 2.93Å; H70-Q73 PolarHBondContact O-N 3.49Å
71	R	45.5	Very low	63.1	Low	206 Å²	206	91.4 Å²	91.4	78%	0.777	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-27.1	178.8	-79.7	-177.4	-177.3	-171.4	0.5	112.9	S68 Q73	S68-R71 WeakPolarHBondContact O-CB 3.05Å; S68-R71 PolarHBondContact O-N 2.95Å; R71-Q73 VanDerWaalsContact C-N 3.3Å; R71-Q73 PolarHBondContact O-N 3.33Å
72	S	46.3	Very low	63.1	Low	110 Å²	110	93.1 Å²	93.1	77%	0.769	48%	0.478	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76	-15.5	-179.2	53.3	0	0	0	0	113.7	H70	H70-S72 PolarHBondContact O-N 2.93Å
73	Q	47	Very low	63.3	Low	135 Å²	135	92.1 Å²	92.1	63%	0.631	47%	0.474	S	S	*	.	S	Bend	trans	-117.5	100.4	175	-78.3	174.1	-8.9	0	0	110.4	H70 R71	H70-Q73 PolarHBondContact O-N 3.49Å; R71-Q73 VanDerWaalsContact C-N 3.3Å; R71-Q73 PolarHBondContact O-N 3.33Å
74	S	46.3	Very low	63.4	Low	72 Å²	72	95.3 Å²	95.3	50%	0.503	49%	0.491	S	S	.	.			trans	76.6	108.6	170.7	77.5	0	0	0	0	117	N76	S74-N76 PolarHBondContact O-N 3.16Å; S74-N76 VanDerWaalsContact O-N 3.15Å
75	V	46	Very low	63.8	Low	139 Å²	139	94.2 Å²	94.2	84%	0.842	49%	0.489	S	S	*	.	T	Hydrogen-bonded Turn		3.6	102.3	120.3	-174.1	0	0	0	0	111.6	S77	V75-S77 PolarHBondContact O-N 3.27Å; V75-S77 VanDerWaalsContact O-N 3.09Å
76	N	49.5	Very low	64.8	Low	137 Å²	137	93 Å²	93	73%	0.733	48%	0.48	S	S	*	.	T	Hydrogen-bonded Turn	trans	24.9	76.1	167.6	-76.4	-36.7	0	0	0	114.2	S74 V78	S74-N76 PolarHBondContact O-N 3.16Å; S74-N76 VanDerWaalsContact O-N 3.15Å; N76-V78 PolarHBondContact O-N 3.44Å
77	S	67.3	Low	66.4	Low	9 Å²	9	88.8 Å²	88.8	6%	0.063	45%	0.452	C	S	.	.			trans	-44.1	122	176.7	60.7	0	0	0	0	110.6	V75 W79 R80 H81	V75-S77 PolarHBondContact O-N 3.27Å; V75-S77 VanDerWaalsContact O-N 3.09Å; S77-W79 PolarHBondContact O-N 3.41Å; S77-R80 PolarHBondContact O-N 3.48Å; S77-R80 WeakPolarHBondContact OG-CB 3.47Å; S77-R80 WeakPolarHBondContact OG-CD 3.49Å; S77-R80 VanDerWaalsContact OG-CG 3.24Å; S77-R80 WeakPolarHBondContact OG-CG 3.19Å; S77-R80 PolarHBondContact OG-NH1 3.43Å; S77-H81 PolarHBondContact O-N 3.32Å
78	V	81.4	Confident	68.5	Low	90 Å²	90	92.5 Å²	92.5	55%	0.545	46%	0.458	S	S	.	.	H	α-helix	trans	-47.1	-37.8	-172.8	175	0	0	0	0	112.4	N76 H81 R82	N76-V78 PolarHBondContact O-N 3.44Å; V78-H81 PolarHBondContact O-N 3.04Å; V78-R82 HydrophobicContact CG1-CG 4.38Å; V78-R82 WeakPolarHBondContact O-CB 3.34Å; V78-R82 WeakPolarHBondContact O-CG 3.1Å; V78-R82 PolarHBondContact O-N 3.34Å
79	W	83.2	Confident	70.5	Confident	64 Å²	64	92 Å²	92	24%	0.242	45%	0.447	C	S	.	.	H	α-helix	trans	-66.4	-38.9	179.3	-66.9	116.3	0	0	0	114.8	I33 F62 L63 S77 H81 R82 M83 M113	I33-W79 HydrophobicContact CB-CD2 4.31Å; I33-W79 HydrophobicContact CB-CG 4.08Å; I33-W79 HydrophobicContact CG2-CD2 3.78Å; I33-W79 HydrophobicContact CG2-CE3 4.32Å; I33-W79 HydrophobicContact CG2-CG 4.08Å; I33-W79 HydrophobicContact CG2-CH2 4.43Å; I33-W79 HydrophobicContact CG2-CZ2 3.92Å; F62-W79 HydrophobicContact CE1-CB 4.18Å; L63-W79 HydrophobicContact CD2-CB 4.39Å; S77-W79 PolarHBondContact O-N 3.41Å; W79-H81 VanDerWaalsContact C-N 3.35Å; W79-R82 VanDerWaalsContact CH2-NH1 3.28Å; W79-R82 VanDerWaalsContact CZ3-NH1 3.34Å; W79-R82 PolarHBondContact O-N 2.83Å; W79-M83 WeakPolarHBondContact O-CB 3.21Å; W79-M83 PolarHBondContact O-N 3.45Å; W79-M113 HydrophobicContact CE3-SD 4.24Å; W79-M113 HydrophobicContact CH2-CE 3.61Å; W79-M113 HydrophobicContact CH2-SD 3.42Å; W79-M113 WeakPolarHBondContact CH2-SD 3.27Å; W79-M113 HydrophobicContact CZ2-SD 4.31Å; W79-M113 HydrophobicContact CZ3-CE 3.51Å; W79-M113 HydrophobicContact CZ3-SD 3.38Å; W79-M113 WeakPolarHBondContact CZ3-SD 3.12Å
80	R	81.9	Confident	72.4	Confident	48 Å²	48	83.5 Å²	83.5	18%	0.181	41%	0.409	C	S	.	.	H	α-helix	trans	-68.2	-38.9	174.3	-69.2	-177	-162	113.3	-6.6	111.1	F62 S77 M83 N84	F62-R80 VanDerWaalsContact CE2-NH2 3.26Å; F62-R80 PolarHBondContact O-NE 3.23Å; F62-R80 PolarHBondContact O-NH2 3.28Å; S77-R80 PolarHBondContact O-N 3.48Å; S77-R80 WeakPolarHBondContact OG-CB 3.47Å; S77-R80 WeakPolarHBondContact OG-CD 3.49Å; S77-R80 VanDerWaalsContact OG-CG 3.24Å; S77-R80 WeakPolarHBondContact OG-CG 3.19Å; S77-R80 PolarHBondContact OG-NH1 3.43Å; R80-M83 PolarHBondContact O-N 3.47Å; R80-N84 WeakPolarHBondContact O-CB 3.43Å; R80-N84 PolarHBondContact O-N 2.8Å; R80-N84 PolarHBondContact O-ND2 3.25Å
81	H	85	Confident	74.2	Confident	111 Å²	111	83.9 Å²	83.9	51%	0.514	41%	0.413	S	S	.	.	H	α-helix	trans	-62.8	-44.5	174.2	-171.2	73.9	0	0	0	111.2	S77 V78 W79 M83 N84 S85	S77-H81 PolarHBondContact O-N 3.32Å; V78-H81 PolarHBondContact O-N 3.04Å; W79-H81 VanDerWaalsContact C-N 3.35Å; H81-M83 PolarHBondContact O-N 3.47Å; H81-N84 PolarHBondContact O-N 3.34Å; H81-S85 WeakPolarHBondContact O-CB 3.46Å; H81-S85 PolarHBondContact O-N 3.31Å
82	R	88.3	Confident	76.1	Confident	129 Å²	129	82.7 Å²	82.7	49%	0.487	41%	0.414	S	S	.	.	H	α-helix	trans	-58.5	-46	173.4	-75.8	177.7	-179.6	-176.4	-1.7	112	V78 W79 S85 W86 F108	V78-R82 HydrophobicContact CG1-CG 4.38Å; V78-R82 WeakPolarHBondContact O-CB 3.34Å; V78-R82 WeakPolarHBondContact O-CG 3.1Å; V78-R82 PolarHBondContact O-N 3.34Å; W79-R82 VanDerWaalsContact CH2-NH1 3.28Å; W79-R82 VanDerWaalsContact CZ3-NH1 3.34Å; W79-R82 PolarHBondContact O-N 2.83Å; R82-S85 PolarHBondContact O-N 3.38Å; R82-W86 WeakPolarHBondContact O-CB 3.44Å; R82-W86 PolarHBondContact O-N 3.42Å; R82-F108 HydrophobicContact CB-CE2 4.47Å; R82-F108 HydrophobicContact CB-CZ 4.15Å
83	M	89.1	Confident	78	Confident	1 Å²	1	81.5 Å²	81.5	1%	0.005	40%	0.395	C	S	.	.	H	α-helix	trans	-62.4	-44.3	177.8	-173.6	-175.7	-171.8	0	0	112.2	L63 W79 R80 H81 W86 R87 A105 F108	L63-M83 HydrophobicContact CB-SD 3.93Å; L63-M83 HydrophobicContact CD2-CB 4.46Å; L63-M83 HydrophobicContact CD2-SD 4.09Å; L63-M83 HydrophobicContact CG-SD 4.42Å; W79-M83 WeakPolarHBondContact O-CB 3.21Å; W79-M83 PolarHBondContact O-N 3.45Å; R80-M83 PolarHBondContact O-N 3.47Å; H81-M83 PolarHBondContact O-N 3.47Å; M83-W86 PolarHBondContact O-N 3.05Å; M83-R87 WeakPolarHBondContact O-CB 3.49Å; M83-R87 WeakPolarHBondContact O-CG 3.43Å; M83-R87 PolarHBondContact O-N 3.4Å; M83-A105 VanDerWaalsContact CE-CA 3.42Å; M83-A105 HydrophobicContact CE-CB 4Å; M83-F108 VanDerWaalsContact CA-CE2 3.45Å; M83-F108 HydrophobicContact CB-CD1 4.09Å; M83-F108 HydrophobicContact CB-CD2 4.05Å; M83-F108 HydrophobicContact CB-CE1 4Å; M83-F108 HydrophobicContact CB-CE2 3.95Å; M83-F108 HydrophobicContact CB-CG 4.11Å; M83-F108 HydrophobicContact CB-CZ 3.92Å; M83-F108 HydrophobicContact CE-CB 4.05Å; M83-F108 HydrophobicContact CG-CB 4.11Å; M83-F108 HydrophobicContact CG-CD1 4Å; M83-F108 HydrophobicContact CG-CD2 3.97Å; M83-F108 HydrophobicContact CG-CE1 4.42Å; M83-F108 HydrophobicContact CG-CE2 4.39Å; M83-F108 HydrophobicContact CG-CG 3.74Å; M83-F108 HydrophobicContact SD-CD1 4.43Å
84	N	87.6	Confident	79.9	Confident	79 Å²	79	75.6 Å²	75.6	42%	0.422	37%	0.368	S	S	.	.	H	α-helix	trans	-68.2	-36.9	178.4	-72.2	-21.4	0	0	0	112	R80 H81 R87 R88	R80-N84 WeakPolarHBondContact O-CB 3.43Å; R80-N84 PolarHBondContact O-N 2.8Å; R80-N84 PolarHBondContact O-ND2 3.25Å; H81-N84 PolarHBondContact O-N 3.34Å; N84-R87 PolarHBondContact O-N 3.39Å; N84-R88 WeakPolarHBondContact O-CG 3.21Å; N84-R88 PolarHBondContact O-N 3.48Å; N84-R88 VanDerWaalsContact O-N 3.16Å
85	S	88	Confident	81.5	Confident	52 Å²	52	72.9 Å²	72.9	36%	0.364	35%	0.35	S	S	.	.	H	α-helix	trans	-64.7	-47.8	173.8	-158.4	0	0	0	0	111.5	H81 R82 R87 R88 E89	H81-S85 WeakPolarHBondContact O-CB 3.46Å; H81-S85 PolarHBondContact O-N 3.31Å; R82-S85 PolarHBondContact O-N 3.38Å; S85-R87 VanDerWaalsContact C-N 3.34Å; S85-R87 PolarHBondContact O-N 3.1Å; S85-R88 PolarHBondContact O-N 2.95Å; S85-R88 VanDerWaalsContact O-N 3.16Å; S85-E89 PolarHBondContact O-N 3.22Å; S85-E89 VanDerWaalsContact O-N 3.08Å
86	W	89.7	Confident	82.7	Confident	10 Å²	10	75.2 Å²	75.2	4%	0.038	35%	0.348	C	S	.	.	H	α-helix	trans	-55	-47.7	174.4	174.1	85.7	0	0	0	111.4	R82 M83 R88 E89 W90 L103 N107 F108 A111 D210	R82-W86 WeakPolarHBondContact O-CB 3.44Å; R82-W86 PolarHBondContact O-N 3.42Å; M83-W86 PolarHBondContact O-N 3.05Å; W86-R88 VanDerWaalsContact C-N 3.32Å; W86-R88 PolarHBondContact O-N 3.34Å; W86-E89 PolarHBondContact O-N 2.97Å; W86-W90 AromaticContact CD1-CD1 3.58Å; W86-W90 AromaticContact CD1-NE1 3.41Å; W86-W90 AromaticContact CD2-CD1 3.82Å; W86-W90 HydrophobicContact CD2-CG 4.48Å; W86-W90 AromaticContact CE2-CD1 3.44Å; W86-W90 VanDerWaalsContact CE2-CD1 3.44Å; W86-W90 AromaticContact CE2-CE2 3.68Å; W86-W90 AromaticContact CE2-NE1 3.21Å; W86-W90 AromaticContact CG-CD1 3.91Å; W86-W90 AromaticContact CZ2-CD1 3.94Å; W86-W90 AromaticContact CZ2-CD2 3.99Å; W86-W90 HydrophobicContact CZ2-CD2 3.99Å; W86-W90 AromaticContact CZ2-CE2 3.56Å; W86-W90 HydrophobicContact CZ2-CG 4.16Å; W86-W90 AromaticContact CZ2-CZ2 3.97Å; W86-W90 HydrophobicContact CZ2-CZ2 3.97Å; W86-W90 AromaticContact CZ2-NE1 3.63Å; W86-W90 AromaticContact NE1-CD1 3.36Å; W86-W90 AromaticContact NE1-CE2 3.6Å; W86-W90 AromaticContact NE1-NE1 2.82Å; W86-W90 VanDerWaalsContact O-CD1 3.23Å; W86-W90 PolarHBondContact O-N 3.03Å; W86-L103 HydrophobicContact CZ3-CD2 4.31Å; W86-N107 HydrophobicContact CH2-CB 3.97Å; W86-F108 HydrophobicContact CB-CD2 4Å; W86-F108 HydrophobicContact CB-CE2 4.04Å; W86-F108 HydrophobicContact CD2-CB 4.33Å; W86-F108 AromaticContact CD2-CD2 3.63Å; W86-F108 HydrophobicContact CD2-CD2 3.63Å; W86-F108 HydrophobicContact CD2-CG 4.47Å; W86-F108 HydrophobicContact CE3-CB 3.88Å; W86-F108 AromaticContact CE3-CD2 3.75Å; W86-F108 HydrophobicContact CE3-CD2 3.75Å; W86-F108 HydrophobicContact CE3-CG 4.27Å; W86-F108 AromaticContact CG-CD2 3.73Å; W86-F108 HydrophobicContact CG-CD2 3.73Å; W86-F108 HydrophobicContact CG-CE2 4.16Å; W86-F108 HydrophobicContact CH2-CB 4.17Å; W86-F108 HydrophobicContact CZ3-CB 3.79Å; W86-A111 HydrophobicContact CZ2-CB 4.15Å; W86-D210 PolarHBondContact NE1-OD1 3.09Å; W86-D210 PolarHBondContact NE1-OD2 3.26Å; W86-D210 VanDerWaalsContact NE1-OD2 3.11Å
87	R	88.7	Confident	83.5	Confident	74 Å²	74	74.8 Å²	74.8	28%	0.279	35%	0.345	S	S	.	.	H	α-helix	trans	-56.7	-42.6	176.5	-78.9	178.6	166.1	157.3	-5.6	113.1	M83 N84 S85 L91 L103	M83-R87 WeakPolarHBondContact O-CB 3.49Å; M83-R87 WeakPolarHBondContact O-CG 3.43Å; M83-R87 PolarHBondContact O-N 3.4Å; N84-R87 PolarHBondContact O-N 3.39Å; S85-R87 VanDerWaalsContact C-N 3.34Å; S85-R87 PolarHBondContact O-N 3.1Å; R87-L91 VanDerWaalsContact O-CB 3.31Å; R87-L91 WeakPolarHBondContact O-CB 3.28Å; R87-L91 PolarHBondContact O-N 3.26Å; R87-L103 HydrophobicContact CG-CB 4.2Å; R87-L103 HydrophobicContact CG-CD2 4.45Å; R87-L103 VanDerWaalsContact CZ-O 3.26Å; R87-L103 PolarHBondContact NE-O 3.17Å; R87-L103 PolarHBondContact NH2-O 2.81Å
88	R	87.6	Confident	83.2	Confident	152 Å²	152	75.1 Å²	75.1	57%	0.574	35%	0.35	S	S	*	.	H	α-helix	trans	-65.7	-42.5	179.2	-72.8	-176.9	-61.2	-145.7	2.7	111.7	N84 S85 W86 L91 K92	N84-R88 WeakPolarHBondContact O-CG 3.21Å; N84-R88 PolarHBondContact O-N 3.48Å; N84-R88 VanDerWaalsContact O-N 3.16Å; S85-R88 PolarHBondContact O-N 2.95Å; S85-R88 VanDerWaalsContact O-N 3.16Å; W86-R88 VanDerWaalsContact C-N 3.32Å; W86-R88 PolarHBondContact O-N 3.34Å; R88-L91 PolarHBondContact O-N 3.06Å; R88-K92 PolarHBondContact O-N 3.05Å; R88-K92 VanDerWaalsContact O-N 3.14Å
89	E	85.7	Confident	82.4	Confident	72 Å²	72	75.8 Å²	75.8	34%	0.336	34%	0.343	S	S	.	.	H	α-helix	trans	-65.9	-44.8	178.5	-171.4	176.6	175.3	0	0	111.6	S85 W86 L91 K92 K93	S85-E89 PolarHBondContact O-N 3.22Å; S85-E89 VanDerWaalsContact O-N 3.08Å; W86-E89 PolarHBondContact O-N 2.97Å; E89-L91 PolarHBondContact O-N 3.03Å; E89-K92 WeakPolarHBondContact O-CB 3.36Å; E89-K92 PolarHBondContact O-N 3.47Å; E89-K93 HydrophobicContact CG-CD 4.43Å; E89-K93 PolarHBondContact O-N 3.48Å; E89-K93 IonicContact OE1-NZ 3.44Å; E89-K93 PolarHBondContact OE1-NZ 3.36Å
90	W	87.8	Confident	81.2	Confident	0 Å²	0	84.4 Å²	84.4	0%	0	38%	0.375	C	S	.	.	H	α-helix	trans	-58.8	-47.3	174.2	-85.3	70.2	0	0	0	111.9	W86 K92 K93 S94 I102 L103 W187 V202 P209 D210	W86-W90 AromaticContact CD1-CD1 3.58Å; W86-W90 AromaticContact CD1-NE1 3.41Å; W86-W90 AromaticContact CD2-CD1 3.82Å; W86-W90 HydrophobicContact CD2-CG 4.48Å; W86-W90 AromaticContact CE2-CD1 3.44Å; W86-W90 VanDerWaalsContact CE2-CD1 3.44Å; W86-W90 AromaticContact CE2-CE2 3.68Å; W86-W90 AromaticContact CE2-NE1 3.21Å; W86-W90 AromaticContact CG-CD1 3.91Å; W86-W90 AromaticContact CZ2-CD1 3.94Å; W86-W90 AromaticContact CZ2-CD2 3.99Å; W86-W90 HydrophobicContact CZ2-CD2 3.99Å; W86-W90 AromaticContact CZ2-CE2 3.56Å; W86-W90 HydrophobicContact CZ2-CG 4.16Å; W86-W90 AromaticContact CZ2-CZ2 3.97Å; W86-W90 HydrophobicContact CZ2-CZ2 3.97Å; W86-W90 AromaticContact CZ2-NE1 3.63Å; W86-W90 AromaticContact NE1-CD1 3.36Å; W86-W90 AromaticContact NE1-CE2 3.6Å; W86-W90 AromaticContact NE1-NE1 2.82Å; W86-W90 VanDerWaalsContact O-CD1 3.23Å; W86-W90 PolarHBondContact O-N 3.03Å; W90-K92 PolarHBondContact O-N 3.41Å; W90-K93 CarbonylContact O-C 3.54Å; W90-K93 PolarHBondContact O-N 3.17Å; W90-S94 WeakPolarHBondContact O-CB 3.44Å; W90-S94 PolarHBondContact O-N 3.23Å; W90-S94 PolarHBondContact O-OG 3.44Å; W90-I102 HydrophobicContact CE3-CG2 3.91Å; W90-I102 HydrophobicContact CZ3-CG2 3.77Å; W90-L103 HydrophobicContact CB-CD2 3.59Å; W90-L103 HydrophobicContact CG-CD2 4.36Å; W90-W187 HydrophobicContact CH2-CB 4.06Å; W90-W187 AromaticContact CH2-CD1 3.83Å; W90-W187 AromaticContact CH2-CD2 3.8Å; W90-W187 HydrophobicContact CH2-CD2 3.8Å; W90-W187 HydrophobicContact CH2-CE3 4.32Å; W90-W187 AromaticContact CH2-CG 3.63Å; W90-W187 HydrophobicContact CH2-CG 3.63Å; W90-W187 HydrophobicContact CZ2-CG 4.45Å; W90-W187 HydrophobicContact CZ3-CD2 4.24Å; W90-W187 HydrophobicContact CZ3-CE3 4.48Å; W90-V202 HydrophobicContact CE3-CG2 4.24Å; W90-V202 HydrophobicContact CZ3-CG2 4.28Å; W90-P209 VanDerWaalsContact CD1-CG 3.5Å; W90-P209 HydrophobicContact CD2-CG 3.6Å; W90-P209 VanDerWaalsContact CE2-CG 3.44Å; W90-P209 HydrophobicContact CE3-CG 4.25Å; W90-P209 HydrophobicContact CG-CG 3.72Å; W90-P209 HydrophobicContact CZ2-CG 4.07Å; W90-P209 VanDerWaalsContact NE1-CG 3.26Å; W90-D210 PolarHBondContact NE1-OD1 2.96Å; W90-D210 PolarHBondContact NE1-OD2 3.5Å
91	L	86.2	Confident	80.2	Confident	71 Å²	71	93 Å²	93	37%	0.372	41%	0.408	S	S	.	.	H	α-helix	trans	-58.5	-33.1	178.7	-168.5	71.6	0	0	0	112.9	R87 R88 E89 R99 L103	R87-L91 VanDerWaalsContact O-CB 3.31Å; R87-L91 WeakPolarHBondContact O-CB 3.28Å; R87-L91 PolarHBondContact O-N 3.26Å; R88-L91 PolarHBondContact O-N 3.06Å; E89-L91 PolarHBondContact O-N 3.03Å; L91-R99 HydrophobicContact CD1-CB 3.65Å; L91-R99 HydrophobicContact CD1-CG 3.64Å; L91-L103 HydrophobicContact CB-CD1 4.43Å; L91-L103 HydrophobicContact CD1-CD1 4.01Å
92	K	85.7	Confident	79.3	Confident	182 Å²	182	88.7 Å²	88.7	79%	0.791	39%	0.388	S	S	*	.	H	α-helix	trans	-70.7	-36.8	177.5	-174.4	-178.1	176.9	-174.7	0	112.4	R88 E89 W90	R88-K92 PolarHBondContact O-N 3.05Å; R88-K92 VanDerWaalsContact O-N 3.14Å; E89-K92 WeakPolarHBondContact O-CB 3.36Å; E89-K92 PolarHBondContact O-N 3.47Å; W90-K92 PolarHBondContact O-N 3.41Å
93	K	86.8	Confident	78.7	Confident	85 Å²	85	84 Å²	84	37%	0.37	37%	0.373	S	S	.	.	H	α-helix	trans	-98.7	-8	-174.9	-73	173.2	171.9	170.3	0	114	E89 W90 G201 V202 P209	E89-K93 HydrophobicContact CG-CD 4.43Å; E89-K93 PolarHBondContact O-N 3.48Å; E89-K93 IonicContact OE1-NZ 3.44Å; E89-K93 PolarHBondContact OE1-NZ 3.36Å; W90-K93 CarbonylContact O-C 3.54Å; W90-K93 PolarHBondContact O-N 3.17Å; K93-G201 WeakPolarHBondContact O-CA 3.36Å; K93-V202 HydrophobicContact CB-CG1 4.1Å; K93-V202 HydrophobicContact CB-CG2 4.3Å; K93-V202 PolarHBondContact O-N 3.22Å; K93-V202 VanDerWaalsContact O-N 3.09Å; K93-P209 HydrophobicContact CB-CB 4.05Å; K93-P209 HydrophobicContact CD-CB 3.2Å; K93-P209 HydrophobicContact CD-CG 4.44Å; K93-P209 HydrophobicContact CG-CB 4.25Å; K93-P209 PolarHBondContact NZ-O 3.05Å; K93-P209 VanDerWaalsContact NZ-O 3.08Å
94	S	85.1	Confident	78.6	Confident	10 Å²	10	87 Å²	87	7%	0.07	39%	0.389	C	S	.	.	S	Bend	trans	-84.6	150.4	173.5	-65.4	0	0	0	0	112.7	W90 D203	W90-S94 WeakPolarHBondContact O-CB 3.44Å; W90-S94 PolarHBondContact O-N 3.23Å; W90-S94 PolarHBondContact O-OG 3.44Å; S94-D203 WeakPolarHBondContact CA-OD1 3.46Å; S94-D203 WeakPolarHBondContact CB-OD1 3.24Å
95	S	80.1	Confident	78.6	Confident	16 Å²	16	83.2 Å²	83.2	11%	0.112	37%	0.368	C	S	.	.			trans	-54.1	158.8	170.4	84.4	0	0	0	0	111.1	L97 G98 R99 Y200 D203	S95-L97 PolarHBondContact O-N 3.38Å; S95-L97 PolarHBondContact OG-N 3.21Å; S95-G98 PolarHBondContact OG-N 2.8Å; S95-G98 VanDerWaalsContact OG-N 3.1Å; S95-R99 VanDerWaalsContact O-CG 3.23Å; S95-R99 WeakPolarHBondContact O-CG 3.2Å; S95-Y200 VanDerWaalsContact CB-O 3.28Å; S95-Y200 WeakPolarHBondContact CB-O 3.44Å; S95-D203 WeakPolarHBondContact CB-OD2 3.49Å; S95-D203 PolarHBondContact N-OD1 3.33Å; S95-D203 PolarHBondContact OG-OD2 2.92Å
96	K	72.2	Confident	78.8	Confident	188 Å²	188	81.1 Å²	81.1	82%	0.817	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-30.2	174.5	-69.6	-179.2	-178	174.2	0	111.9
97	L	66.4	Low	78.9	Confident	128 Å²	128	81.6 Å²	81.6	67%	0.67	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.5	-42.2	-175.7	-75.9	147.8	0	0	0	113	S95 R99	S95-L97 PolarHBondContact O-N 3.38Å; S95-L97 PolarHBondContact OG-N 3.21Å; L97-R99 PolarHBondContact O-N 3.1Å
98	G	61.3	Low	79	Confident	16 Å²	16	78.2 Å²	78.2	17%	0.165	35%	0.345	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.2	-1.7	-171	0	0	0	0	0	117	S95 R100 D203	S95-G98 PolarHBondContact OG-N 2.8Å; S95-G98 VanDerWaalsContact OG-N 3.1Å; G98-R100 VanDerWaalsContact C-N 3.25Å; G98-R100 PolarHBondContact O-N 3.49Å; G98-D203 WeakPolarHBondContact CA-OD2 3.37Å; G98-D203 PolarHBondContact N-OD2 2.87Å
99	R	63.3	Low	79.3	Confident	104 Å²	104	71 Å²	71	39%	0.392	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.9	-29.1	-169	-66.7	-174.8	171.9	176.6	-0.3	115.9	L91 S95 L97 L103	L91-R99 HydrophobicContact CD1-CB 3.65Å; L91-R99 HydrophobicContact CD1-CG 3.64Å; S95-R99 VanDerWaalsContact O-CG 3.23Å; S95-R99 WeakPolarHBondContact O-CG 3.2Å; L97-R99 PolarHBondContact O-N 3.1Å; R99-L103 WeakPolarHBondContact O-CD1 3Å
100	R	58.7	Low	79.7	Confident	244 Å²	244	67.6 Å²	67.6	92%	0.921	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.7	-29.2	-169.8	-70.5	-173.5	-178.8	-178.8	2.1	115.3	G98	G98-R100 VanDerWaalsContact C-N 3.25Å; G98-R100 PolarHBondContact O-N 3.49Å
101	R	62	Low	79.8	Confident	229 Å²	229	67.6 Å²	67.6	86%	0.864	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.4	-25.9	-171.2	-74.1	-173.2	-177.7	177.9	3.7	114.5
102	I	66	Low	79.9	Confident	20 Å²	20	66.6 Å²	66.6	10%	0.103	30%	0.296	C	S	.	.	S	Bend	trans	-90.1	-16.1	-166.3	-60.7	166.2	0	0	0	113.2	W90 N104 N107 W187 D203	W90-I102 HydrophobicContact CE3-CG2 3.91Å; W90-I102 HydrophobicContact CZ3-CG2 3.77Å; I102-N104 PolarHBondContact O-N 3.49Å; I102-N104 VanDerWaalsContact O-N 3.15Å; I102-N107 VanDerWaalsContact C-ND2 3.33Å; I102-N107 WeakPolarHBondContact CA-ND2 3.39Å; I102-N107 WeakPolarHBondContact O-CB 3.36Å; I102-N107 PolarHBondContact O-ND2 3.41Å; I102-W187 HydrophobicContact CD1-CH2 3.98Å; I102-W187 HydrophobicContact CD1-CZ2 4.31Å; I102-W187 HydrophobicContact CG1-CH2 4.44Å; I102-W187 HydrophobicContact CG1-CZ2 4.32Å; I102-W187 HydrophobicContact CG2-CZ2 4.04Å; I102-D203 HydrophobicContact CD1-CB 3.27Å
103	L	75.1	Confident	80.2	Confident	31 Å²	31	59.9 Å²	59.9	16%	0.162	27%	0.268	C	S	.	.			trans	-92.2	31	-165	-59.7	179.9	0	0	0	115.3	W86 R87 W90 L91 R99	W86-L103 HydrophobicContact CZ3-CD2 4.31Å; R87-L103 HydrophobicContact CG-CB 4.2Å; R87-L103 HydrophobicContact CG-CD2 4.45Å; R87-L103 VanDerWaalsContact CZ-O 3.26Å; R87-L103 PolarHBondContact NE-O 3.17Å; R87-L103 PolarHBondContact NH2-O 2.81Å; W90-L103 HydrophobicContact CB-CD2 3.59Å; W90-L103 HydrophobicContact CG-CD2 4.36Å; L91-L103 HydrophobicContact CB-CD1 4.43Å; L91-L103 HydrophobicContact CD1-CD1 4.01Å; R99-L103 WeakPolarHBondContact O-CD1 3Å
104	N	85.8	Confident	80.6	Confident	63 Å²	63	56 Å²	56	34%	0.337	25%	0.251	S	S	.	.	S	Bend	trans	-90.4	172.1	-178.7	69.5	36.1	0	0	0	113.5	I102 A106 N107 F108	I102-N104 PolarHBondContact O-N 3.49Å; I102-N104 VanDerWaalsContact O-N 3.15Å; N104-A106 VanDerWaalsContact C-N 3.32Å; N104-A106 PolarHBondContact O-N 3.22Å; N104-A106 WeakPolarHBondContact OD1-CA 3.26Å; N104-A106 WeakPolarHBondContact OD1-CB 3.29Å; N104-A106 PolarHBondContact OD1-N 3.24Å; N104-A106 VanDerWaalsContact OD1-N 3.08Å; N104-N107 PolarHBondContact O-N 2.91Å; N104-N107 PolarHBondContact OD1-N 3.44Å; N104-N107 PolarHBondContact OD1-ND2 2.88Å; N104-F108 PolarHBondContact O-N 3.02Å
105	A	89.5	Confident	80.9	Confident	0 Å²	0	56.1 Å²	56.1	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-62.4	-35.9	178.9	0	0	0	0	0	113.3	Y60 L63 N64 M83 F108 L109	Y60-A105 HydrophobicContact CD2-CB 4.43Å; Y60-A105 HydrophobicContact CE2-CB 3.96Å; L63-A105 HydrophobicContact CB-CB 4.02Å; L63-A105 HydrophobicContact CD1-CB 4.27Å; N64-A105 WeakPolarHBondContact OD1-CB 3.33Å; M83-A105 VanDerWaalsContact CE-CA 3.42Å; M83-A105 HydrophobicContact CE-CB 4Å; A105-F108 PolarHBondContact O-N 2.94Å; A105-L109 WeakPolarHBondContact O-CB 3.09Å; A105-L109 WeakPolarHBondContact O-CD1 3.28Å; A105-L109 WeakPolarHBondContact O-CG 3.49Å; A105-L109 PolarHBondContact O-N 3.17Å
106	A	92.2	Very high	81.7	Confident	9 Å²	9	55.5 Å²	55.5	7%	0.074	25%	0.247	C	C	.	.	H	α-helix	trans	-61.1	-49.4	177.5	0	0	0	0	0	110.9	F49 Y60 N104 F108 L109 A110 T184	F49-A106 HydrophobicContact CE1-CB 4.26Å; F49-A106 VanDerWaalsContact CE1-O 3.23Å; F49-A106 WeakPolarHBondContact CE1-O 3.39Å; F49-A106 HydrophobicContact CZ-CB 4.08Å; Y60-A106 HydrophobicContact CE2-CB 4.11Å; N104-A106 VanDerWaalsContact C-N 3.32Å; N104-A106 PolarHBondContact O-N 3.22Å; N104-A106 WeakPolarHBondContact OD1-CA 3.26Å; N104-A106 WeakPolarHBondContact OD1-CB 3.29Å; N104-A106 PolarHBondContact OD1-N 3.24Å; N104-A106 VanDerWaalsContact OD1-N 3.08Å; A106-F108 PolarHBondContact O-N 3.39Å; A106-L109 PolarHBondContact O-N 3.19Å; A106-A110 WeakPolarHBondContact O-CB 3.26Å; A106-A110 PolarHBondContact O-N 3.35Å; A106-T184 HydrophobicContact CB-CG2 4.07Å
107	N	90.2	Very high	82.8	Confident	20 Å²	20	46.6 Å²	46.6	11%	0.107	21%	0.208	C	C	.	.	H	α-helix	trans	-64.9	-38.3	-180	-68.3	-32.3	0	0	0	112.6	W86 I102 N104 A110 A111 T184	W86-N107 HydrophobicContact CH2-CB 3.97Å; I102-N107 VanDerWaalsContact C-ND2 3.33Å; I102-N107 WeakPolarHBondContact CA-ND2 3.39Å; I102-N107 WeakPolarHBondContact O-CB 3.36Å; I102-N107 PolarHBondContact O-ND2 3.41Å; N104-N107 PolarHBondContact O-N 2.91Å; N104-N107 PolarHBondContact OD1-N 3.44Å; N104-N107 PolarHBondContact OD1-ND2 2.88Å; N107-A110 PolarHBondContact O-N 3.45Å; N107-A111 VanDerWaalsContact O-CB 3.26Å; N107-A111 WeakPolarHBondContact O-CB 3.36Å; N107-A111 PolarHBondContact O-N 3.16Å; N107-T184 WeakPolarHBondContact OD1-CG2 3.39Å
108	F	92.2	Very high	84.2	Confident	3 Å²	3	40.6 Å²	40.6	1%	0.013	18%	0.177	C	C	.	.	H	α-helix	trans	-60.4	-47.8	172.3	172.8	-105.1	0	0	0	111.7	L63 R82 M83 W86 N104 A105 A106 A110 A111 Q112	L63-F108 HydrophobicContact CD1-CD1 3.81Å; L63-F108 HydrophobicContact CD1-CE1 4.18Å; L63-F108 HydrophobicContact CD2-CD1 4.37Å; L63-F108 HydrophobicContact CD2-CE1 4.12Å; R82-F108 HydrophobicContact CB-CE2 4.47Å; R82-F108 HydrophobicContact CB-CZ 4.15Å; M83-F108 VanDerWaalsContact CA-CE2 3.45Å; M83-F108 HydrophobicContact CB-CD1 4.09Å; M83-F108 HydrophobicContact CB-CD2 4.05Å; M83-F108 HydrophobicContact CB-CE1 4Å; M83-F108 HydrophobicContact CB-CE2 3.95Å; M83-F108 HydrophobicContact CB-CG 4.11Å; M83-F108 HydrophobicContact CB-CZ 3.92Å; M83-F108 HydrophobicContact CE-CB 4.05Å; M83-F108 HydrophobicContact CG-CB 4.11Å; M83-F108 HydrophobicContact CG-CD1 4Å; M83-F108 HydrophobicContact CG-CD2 3.97Å; M83-F108 HydrophobicContact CG-CE1 4.42Å; M83-F108 HydrophobicContact CG-CE2 4.39Å; M83-F108 HydrophobicContact CG-CG 3.74Å; M83-F108 HydrophobicContact SD-CD1 4.43Å; W86-F108 HydrophobicContact CB-CD2 4Å; W86-F108 HydrophobicContact CB-CE2 4.04Å; W86-F108 HydrophobicContact CD2-CB 4.33Å; W86-F108 AromaticContact CD2-CD2 3.63Å; W86-F108 HydrophobicContact CD2-CD2 3.63Å; W86-F108 HydrophobicContact CD2-CG 4.47Å; W86-F108 HydrophobicContact CE3-CB 3.88Å; W86-F108 AromaticContact CE3-CD2 3.75Å; W86-F108 HydrophobicContact CE3-CD2 3.75Å; W86-F108 HydrophobicContact CE3-CG 4.27Å; W86-F108 AromaticContact CG-CD2 3.73Å; W86-F108 HydrophobicContact CG-CD2 3.73Å; W86-F108 HydrophobicContact CG-CE2 4.16Å; W86-F108 HydrophobicContact CH2-CB 4.17Å; W86-F108 HydrophobicContact CZ3-CB 3.79Å; N104-F108 PolarHBondContact O-N 3.02Å; A105-F108 PolarHBondContact O-N 2.94Å; A106-F108 PolarHBondContact O-N 3.39Å; F108-A110 VanDerWaalsContact C-N 3.35Å; F108-A110 PolarHBondContact O-N 2.99Å; F108-A111 PolarHBondContact O-N 3.02Å; F108-Q112 HydrophobicContact CD2-CB 4.48Å; F108-Q112 HydrophobicContact CD2-CG 3.87Å; F108-Q112 HydrophobicContact CE2-CB 4.21Å; F108-Q112 HydrophobicContact CE2-CG 3.71Å; F108-Q112 HydrophobicContact CZ-CB 4.45Å; F108-Q112 HydrophobicContact CZ-CG 4.41Å; F108-Q112 VanDerWaalsContact O-CB 3.27Å; F108-Q112 WeakPolarHBondContact O-CB 3.35Å; F108-Q112 WeakPolarHBondContact O-CG 3.13Å; F108-Q112 PolarHBondContact O-N 2.83Å
109	L	93.4	Very high	85.8	Confident	0 Å²	0	43.5 Å²	43.5	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-63.4	-40.3	178.5	-71.9	166.4	0	0	0	111.6	F30 A31 I33 F49 V55 Y60 L63 A105 A106 M113 L114	F30-L109 HydrophobicContact CE2-CB 4.44Å; A31-L109 HydrophobicContact CB-CD2 3.91Å; I33-L109 HydrophobicContact CD1-CD2 4.41Å; F49-L109 HydrophobicContact CE1-CB 4.14Å; F49-L109 HydrophobicContact CZ-CB 3.81Å; F49-L109 HydrophobicContact CZ-CD1 4.15Å; V55-L109 HydrophobicContact CG1-CD1 4.17Å; V55-L109 HydrophobicContact CG2-CD1 4.25Å; Y60-L109 HydrophobicContact CD2-CD1 3.84Å; Y60-L109 HydrophobicContact CE2-CD1 4.41Å; L63-L109 HydrophobicContact CD1-CD1 3.95Å; L63-L109 HydrophobicContact CD1-CD2 3.72Å; L63-L109 HydrophobicContact CD1-CG 3.71Å; A105-L109 WeakPolarHBondContact O-CB 3.09Å; A105-L109 WeakPolarHBondContact O-CD1 3.28Å; A105-L109 WeakPolarHBondContact O-CG 3.49Å; A105-L109 PolarHBondContact O-N 3.17Å; A106-L109 PolarHBondContact O-N 3.19Å; L109-M113 HydrophobicContact CD2-CB 4.33Å; L109-M113 HydrophobicContact CD2-CG 4Å; L109-M113 CarbonylContact O-C 3.6Å; L109-M113 VanDerWaalsContact O-CA 3.32Å; L109-M113 WeakPolarHBondContact O-CA 3.48Å; L109-M113 VanDerWaalsContact O-CB 3.29Å; L109-M113 WeakPolarHBondContact O-CB 3.3Å; L109-M113 PolarHBondContact O-N 3.29Å; L109-L114 PolarHBondContact O-N 3.38Å; L109-L114 VanDerWaalsContact O-N 3.11Å
110	A	92.9	Very high	87.4	Confident	0 Å²	0	38.7 Å²	38.7	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-63.9	-48.7	175.9	0	0	0	0	0	111.9	F49 A106 N107 F108 Q112 L114 T184 H185 A186	F49-A110 HydrophobicContact CD1-CB 4.18Å; F49-A110 HydrophobicContact CE1-CB 3.97Å; A106-A110 WeakPolarHBondContact O-CB 3.26Å; A106-A110 PolarHBondContact O-N 3.35Å; N107-A110 PolarHBondContact O-N 3.45Å; F108-A110 VanDerWaalsContact C-N 3.35Å; F108-A110 PolarHBondContact O-N 2.99Å; A110-Q112 PolarHBondContact O-N 3.11Å; A110-L114 HydrophobicContact CB-CD1 3.92Å; A110-L114 WeakPolarHBondContact O-CB 3.38Å; A110-T184 HydrophobicContact CB-CG2 4.05Å; A110-H185 WeakPolarHBondContact CB-O 3.1Å; A110-A186 WeakPolarHBondContact O-CB 3.49Å
111	A	89.9	Confident	88.9	Confident	1 Å²	1	30.6 Å²	30.6	1%	0.008	14%	0.142	C	C	.	.	H	α-helix	trans	-69.3	-32.7	-176.7	0	0	0	0	0	113.4	W86 N107 F108 Q189 R292	W86-A111 HydrophobicContact CZ2-CB 4.15Å; N107-A111 VanDerWaalsContact O-CB 3.26Å; N107-A111 WeakPolarHBondContact O-CB 3.36Å; N107-A111 PolarHBondContact O-N 3.16Å; F108-A111 PolarHBondContact O-N 3.02Å; A111-Q189 PolarHBondContact O-NE2 3.19Å; A111-R292 WeakPolarHBondContact O-CD 3.39Å; A111-R292 PolarHBondContact O-NE 2.64Å; A111-R292 VanDerWaalsContact O-NE 3.13Å
112	Q	89.8	Confident	90.3	Very high	50 Å²	50	27.4 Å²	27.4	23%	0.234	13%	0.134	C	C	.	.	H	α-helix	trans	-109.3	-33.3	-170	-62.5	-65.4	-47.1	0	0	113.4	F108 A110 D210 R292	F108-Q112 HydrophobicContact CD2-CB 4.48Å; F108-Q112 HydrophobicContact CD2-CG 3.87Å; F108-Q112 HydrophobicContact CE2-CB 4.21Å; F108-Q112 HydrophobicContact CE2-CG 3.71Å; F108-Q112 HydrophobicContact CZ-CB 4.45Å; F108-Q112 HydrophobicContact CZ-CG 4.41Å; F108-Q112 VanDerWaalsContact O-CB 3.27Å; F108-Q112 WeakPolarHBondContact O-CB 3.35Å; F108-Q112 WeakPolarHBondContact O-CG 3.13Å; F108-Q112 PolarHBondContact O-N 2.83Å; A110-Q112 PolarHBondContact O-N 3.11Å; Q112-D210 PolarHBondContact NE2-OD2 3.26Å; Q112-R292 PolarHBondContact O-NH1 3.07Å; Q112-R292 PolarHBondContact O-NH2 3.39Å
113	M	91.4	Very high	91.6	Very high	41 Å²	41	28.7 Å²	28.7	20%	0.202	14%	0.144	C	C	.	.	H	α-helix	trans	-116	-17.5	-165.3	-57.7	-74.7	86	0	0	114.9	F30 I33 W79 L109	F30-M113 HydrophobicContact CD2-CB 4.19Å; F30-M113 HydrophobicContact CE2-CB 3.97Å; I33-M113 HydrophobicContact CG2-SD 4.33Å; W79-M113 HydrophobicContact CE3-SD 4.24Å; W79-M113 HydrophobicContact CH2-CE 3.61Å; W79-M113 HydrophobicContact CH2-SD 3.42Å; W79-M113 WeakPolarHBondContact CH2-SD 3.27Å; W79-M113 HydrophobicContact CZ2-SD 4.31Å; W79-M113 HydrophobicContact CZ3-CE 3.51Å; W79-M113 HydrophobicContact CZ3-SD 3.38Å; W79-M113 WeakPolarHBondContact CZ3-SD 3.12Å; L109-M113 HydrophobicContact CD2-CB 4.33Å; L109-M113 HydrophobicContact CD2-CG 4Å; L109-M113 CarbonylContact O-C 3.6Å; L109-M113 VanDerWaalsContact O-CA 3.32Å; L109-M113 WeakPolarHBondContact O-CA 3.48Å; L109-M113 VanDerWaalsContact O-CB 3.29Å; L109-M113 WeakPolarHBondContact O-CB 3.3Å; L109-M113 PolarHBondContact O-N 3.29Å
114	L	94.2	Very high	92.4	Very high	2 Å²	2	28.6 Å²	28.6	1%	0.01	15%	0.151	C	C	.	.	S	Bend	trans	-58.5	140.3	172.3	-83.2	173.8	0	0	0	110.3	F30 E53 L109 A110 A186 R292	F30-L114 HydrophobicContact CD1-CD2 4.04Å; F30-L114 HydrophobicContact CD2-CD2 4.36Å; F30-L114 HydrophobicContact CE1-CD2 3.64Å; F30-L114 HydrophobicContact CE2-CD2 4.01Å; F30-L114 HydrophobicContact CE2-CG 4.19Å; F30-L114 HydrophobicContact CG-CD2 4.39Å; F30-L114 HydrophobicContact CZ-CD2 3.63Å; F30-L114 HydrophobicContact CZ-CG 4.02Å; E53-L114 HydrophobicContact CB-CD2 4.12Å; E53-L114 HydrophobicContact CG-CD2 4.14Å; L109-L114 PolarHBondContact O-N 3.38Å; L109-L114 VanDerWaalsContact O-N 3.11Å; A110-L114 HydrophobicContact CB-CD1 3.92Å; A110-L114 WeakPolarHBondContact O-CB 3.38Å; L114-A186 HydrophobicContact CD1-CB 4.34Å; L114-R292 HydrophobicContact CB-CB 3.69Å; L114-R292 WeakPolarHBondContact O-CD 3.32Å; L114-R292 PolarHBondContact O-NH1 2.99Å
115	P	93.3	Very high	92.8	Very high	13 Å²	13	28.4 Å²	28.4	8%	0.084	15%	0.15	C	C	.	.	P	Polyproline II helix	trans	-64.8	149.6	-177.1	-21.8	33.1	0	0	0	112.9	Q128 G293	P115-Q128 HydrophobicContact CB-CG 3.48Å; P115-Q128 VanDerWaalsContact CB-CG 3.48Å; P115-Q128 HydrophobicContact CG-CG 4.22Å; P115-Q128 VanDerWaalsContact CG-NE2 3.32Å; P115-G293 WeakPolarHBondContact O-CA 3.41Å; P115-G293 PolarHBondContact O-N 3.01Å
116	W	95.1	Very high	93.2	Very high	4 Å²	4	28.7 Å²	28.7	2%	0.015	15%	0.151	C	C	.	.	P	Polyproline II helix	trans	-78.5	144.9	166.3	-68.8	110.1	0	0	0	110.6	L129 V135 Q189 L212 F290 V291 R292	W116-L129 HydrophobicContact CB-CB 4.04Å; W116-L129 HydrophobicContact CB-CD1 3.78Å; W116-L129 HydrophobicContact CB-CG 4.01Å; W116-L129 PolarHBondContact O-N 3.26Å; W116-V135 HydrophobicContact CB-CG2 4.3Å; W116-V135 HydrophobicContact CD2-CG2 4Å; W116-V135 HydrophobicContact CG-CG2 3.77Å; W116-Q189 VanDerWaalsContact CZ2-OE1 3.27Å; W116-L212 HydrophobicContact CH2-CD2 3.93Å; W116-L212 HydrophobicContact CZ2-CD2 4.22Å; W116-F290 HydrophobicContact CH2-CB 4.16Å; W116-F290 HydrophobicContact CZ3-CB 4.06Å; W116-V291 WeakPolarHBondContact CZ3-O 3.46Å; W116-R292 HydrophobicContact CD2-CG 3.82Å; W116-R292 HydrophobicContact CE3-CG 3.89Å; W116-R292 HydrophobicContact CH2-CG 3.73Å; W116-R292 HydrophobicContact CZ2-CG 3.65Å; W116-R292 HydrophobicContact CZ3-CG 3.85Å
117	W	96.4	Very high	93.4	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	129.5	176.7	-73.8	88.5	0	0	0	110	W126 R127 Q128 D165 A168 G293 L294 R296 I297	W117-W126 HydrophobicContact CB-CE3 4.04Å; W117-W126 HydrophobicContact CB-CZ3 4.16Å; W117-W126 HydrophobicContact CE3-CB 4.4Å; W117-R127 WeakPolarHBondContact CA-O 3.35Å; W117-R127 VanDerWaalsContact CE3-C 3.44Å; W117-Q128 HydrophobicContact CD2-CB 4.1Å; W117-Q128 HydrophobicContact CD2-CG 4.4Å; W117-Q128 HydrophobicContact CE3-CB 4.09Å; W117-Q128 VanDerWaalsContact CE3-N 3.33Å; W117-Q128 HydrophobicContact CH2-CB 3.72Å; W117-Q128 HydrophobicContact CH2-CG 4.43Å; W117-Q128 HydrophobicContact CZ2-CB 3.71Å; W117-Q128 HydrophobicContact CZ2-CG 3.92Å; W117-Q128 HydrophobicContact CZ3-CB 3.91Å; W117-D165 HydrophobicContact CH2-CB 3.64Å; W117-D165 HydrophobicContact CZ3-CB 3.99Å; W117-A168 HydrophobicContact CH2-CB 4.37Å; W117-A168 HydrophobicContact CZ3-CB 3.91Å; W117-G293 VanDerWaalsContact CD1-C 3.47Å; W117-L294 HydrophobicContact CD2-CD2 4.24Å; W117-L294 HydrophobicContact CH2-CD2 4.03Å; W117-L294 HydrophobicContact CZ2-CD2 3.52Å; W117-L294 HydrophobicContact CZ2-CG 4.31Å; W117-R296 WeakPolarHBondContact O-CD 3.14Å; W117-R296 PolarHBondContact O-NH1 3.31Å; W117-I297 HydrophobicContact CB-CG1 4.32Å; W117-I297 HydrophobicContact CD2-CD1 4.07Å; W117-I297 HydrophobicContact CE3-CD1 3.88Å; W117-I297 HydrophobicContact CG-CD1 4.36Å; W117-I297 HydrophobicContact CZ3-CD1 4.42Å
118	L	96	Very high	93.6	Very high	3 Å²	3	29.2 Å²	29.2	2%	0.016	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	146.7	175.9	-66.5	-178.8	0	0	0	111.3	W126 R127 L129 P144 F147	L118-W126 WeakPolarHBondContact O-CA 3.1Å; L118-R127 PolarHBondContact N-O 2.74Å; L118-R127 PolarHBondContact O-N 3.36Å; L118-L129 HydrophobicContact CB-CD2 4.34Å; L118-L129 HydrophobicContact CD1-CD1 3.65Å; L118-L129 HydrophobicContact CD1-CD2 4.3Å; L118-L129 HydrophobicContact CD1-CG 4.43Å; L118-L129 HydrophobicContact CG-CD1 3.89Å; L118-L129 HydrophobicContact CG-CD2 4.37Å; L118-L129 HydrophobicContact CG-CG 4.33Å; L118-P144 HydrophobicContact CD2-CB 4.34Å; L118-P144 HydrophobicContact CD2-CG 3.77Å; L118-F147 HydrophobicContact CB-CB 4.23Å; L118-F147 HydrophobicContact CB-CD1 3.42Å; L118-F147 VanDerWaalsContact CB-CD1 3.42Å; L118-F147 HydrophobicContact CB-CD2 4.38Å; L118-F147 HydrophobicContact CB-CE1 3.82Å; L118-F147 HydrophobicContact CB-CG 3.74Å; L118-F147 HydrophobicContact CB-CZ 4.45Å; L118-F147 HydrophobicContact CD1-CB 3.78Å; L118-F147 HydrophobicContact CD1-CD1 4.36Å; L118-F147 HydrophobicContact CD1-CD2 4.01Å; L118-F147 HydrophobicContact CD1-CG 3.78Å; L118-F147 HydrophobicContact CG-CG 4.43Å
119	K	95.1	Very high	93.6	Very high	77 Å²	77	29.2 Å²	29.2	34%	0.335	15%	0.151	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	128	174.2	-165.5	177.7	-168.7	163.5	0	108.7	N121 G124 W126 E301	K119-N121 PolarHBondContact O-N 3.19Å; K119-G124 WeakPolarHBondContact CE-O 3.28Å; K119-G124 WeakPolarHBondContact CG-O 3.23Å; K119-W126 HydrophobicContact CB-CD2 4.03Å; K119-W126 HydrophobicContact CB-CE3 4.35Å; K119-W126 HydrophobicContact CB-CH2 4.43Å; K119-W126 HydrophobicContact CB-CZ2 4.04Å; K119-W126 HydrophobicContact CD-CZ2 4.39Å; K119-W126 HydrophobicContact CG-CD2 4.47Å; K119-E301 WeakPolarHBondContact CD-OE1 3.4Å; K119-E301 VanDerWaalsContact CE-OE1 3.3Å; K119-E301 WeakPolarHBondContact CE-OE1 3.27Å; K119-E301 VanDerWaalsContact NZ-CD 3.32Å; K119-E301 IonicContact NZ-OE1 3.08Å; K119-E301 PolarHBondContact NZ-OE1 3.42Å; K119-E301 IonicContact NZ-OE2 3.88Å; K119-E301 PolarHBondContact NZ-OE2 3.4Å
120	C	95.4	Very high	93.4	Very high	2 Å²	2	31.6 Å²	31.6	1%	0.014	17%	0.167	C	C	.	.			trans	-69.9	129.3	179.3	174.5	0	0	0	0	111	K122 G124 L125 F147 C149	C120-K122 PolarHBondContact O-N 3.39Å; C120-K122 PolarHBondContact SG-N 3.13Å; C120-K122 VanDerWaalsContact SG-N 3.36Å; C120-G124 VanDerWaalsContact O-CA 3.23Å; C120-G124 WeakPolarHBondContact O-CA 3.4Å; C120-G124 PolarHBondContact O-N 3.31Å; C120-L125 WeakPolarHBondContact CB-O 3.43Å; C120-L125 PolarHBondContact N-O 2.73Å; C120-F147 HydrophobicContact CB-CD1 4.5Å; C120-F147 HydrophobicContact CB-CE1 4.31Å; C120-C149 VanDerWaalsContact CB-SG 3.51Å; C120-C149 PolarHBondContact SG-N 3.23Å; C120-C149 PolarHBondContact SG-SG 3.18Å
121	N	91.7	Very high	92.8	Very high	74 Å²	74	35.1 Å²	35.1	40%	0.396	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-8.2	179.2	-70.4	-35.1	0	0	0	115	K119 P144 D145 K146 F147	K119-N121 PolarHBondContact O-N 3.19Å; N121-P144 PolarHBondContact ND2-O 3.5Å; N121-P144 PolarHBondContact OD1-O 3.3Å; N121-D145 PolarHBondContact ND2-O 3.21Å; N121-K146 PolarHBondContact ND2-N 2.81Å; N121-F147 PolarHBondContact N-O 3.3Å
122	K	91.5	Very high	92.4	Very high	162 Å²	162	44.1 Å²	44.1	70%	0.704	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.2	-51.8	176.7	-67.6	-173.7	175	-176.4	0	112.9	C120 T148	C120-K122 PolarHBondContact O-N 3.39Å; C120-K122 PolarHBondContact SG-N 3.13Å; C120-K122 VanDerWaalsContact SG-N 3.36Å; K122-T148 HydrophobicContact CD-CG2 4.24Å; K122-T148 HydrophobicContact CG-CG2 4.1Å
123	C	93.2	Very high	92.2	Very high	47 Å²	47	42.2 Å²	42.2	32%	0.318	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.6	-4.5	-176	66.5	0	0	0	0	114.6	L125 C160	C123-L125 HydrophobicContact CB-CG 4.43Å; C123-L125 PolarHBondContact O-N 2.94Å; C123-L125 VanDerWaalsContact O-N 3.14Å; C123-C160 HydrophobicContact CB-CB 3.85Å
124	G	92.1	Very high	92	Very high	30 Å²	30	43 Å²	43	31%	0.309	23%	0.231	S	C	.	.			trans	69.9	3.1	-177.8	0	0	0	0	0	115	K119 C120	K119-G124 WeakPolarHBondContact CE-O 3.28Å; K119-G124 WeakPolarHBondContact CG-O 3.23Å; C120-G124 VanDerWaalsContact O-CA 3.23Å; C120-G124 WeakPolarHBondContact O-CA 3.4Å; C120-G124 PolarHBondContact O-N 3.31Å
125	L	94.3	Very high	91.7	Very high	59 Å²	59	43 Å²	43	31%	0.309	23%	0.23	S	C	.	.			trans	-84.2	145.2	-179.6	-61.4	178	0	0	0	112.3	C120 C123 V164	C120-L125 WeakPolarHBondContact CB-O 3.43Å; C120-L125 PolarHBondContact N-O 2.73Å; C123-L125 HydrophobicContact CB-CG 4.43Å; C123-L125 PolarHBondContact O-N 2.94Å; C123-L125 VanDerWaalsContact O-N 3.14Å; L125-V164 HydrophobicContact CD2-CB 4.37Å
126	W	96.8	Very high	91.2	Very high	5 Å²	5	42.5 Å²	42.5	2%	0.019	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	137.5	178.7	-74.6	88.6	0	0	0	112.7	W117 L118 K119 A168 R296 I297 C300 E301	W117-W126 HydrophobicContact CB-CE3 4.04Å; W117-W126 HydrophobicContact CB-CZ3 4.16Å; W117-W126 HydrophobicContact CE3-CB 4.4Å; L118-W126 WeakPolarHBondContact O-CA 3.1Å; K119-W126 HydrophobicContact CB-CD2 4.03Å; K119-W126 HydrophobicContact CB-CE3 4.35Å; K119-W126 HydrophobicContact CB-CH2 4.43Å; K119-W126 HydrophobicContact CB-CZ2 4.04Å; K119-W126 HydrophobicContact CD-CZ2 4.39Å; K119-W126 HydrophobicContact CG-CD2 4.47Å; W126-A168 HydrophobicContact CB-CB 4.2Å; W126-R296 HydrophobicContact CH2-CG 4.43Å; W126-R296 HydrophobicContact CZ3-CG 4.38Å; W126-I297 HydrophobicContact CB-CD1 4.24Å; W126-I297 HydrophobicContact CD2-CB 4.47Å; W126-I297 HydrophobicContact CD2-CD1 4.16Å; W126-I297 HydrophobicContact CD2-CG1 3.87Å; W126-I297 HydrophobicContact CD2-CG2 4.13Å; W126-I297 HydrophobicContact CE3-CD1 4.14Å; W126-I297 HydrophobicContact CE3-CG1 3.65Å; W126-I297 HydrophobicContact CG-CD1 4.21Å; W126-I297 HydrophobicContact CG-CG1 4.41Å; W126-I297 HydrophobicContact CG-CG2 4.35Å; W126-I297 HydrophobicContact CH2-CG1 4.29Å; W126-I297 HydrophobicContact CZ2-CB 4.48Å; W126-I297 HydrophobicContact CZ2-CG2 4.23Å; W126-I297 HydrophobicContact CZ3-CG1 3.82Å; W126-C300 HydrophobicContact CH2-CB 3.83Å; W126-C300 HydrophobicContact CZ2-CB 3.94Å; W126-E301 VanDerWaalsContact CE2-OE1 3.27Å; W126-E301 HydrophobicContact CZ2-CG 4Å; W126-E301 VanDerWaalsContact CZ2-OE1 3.29Å; W126-E301 WeakPolarHBondContact CZ2-OE1 3Å; W126-E301 PolarHBondContact NE1-OE1 2.86Å
127	R	95.7	Very high	90.7	Very high	2 Å²	2	43.7 Å²	43.7	1%	0.008	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	133.1	179.3	-56	-61.7	179.4	-165.7	2.1	110.8	W117 L118 F147 C149 W162 P163	W117-R127 WeakPolarHBondContact CA-O 3.35Å; W117-R127 VanDerWaalsContact CE3-C 3.44Å; L118-R127 PolarHBondContact N-O 2.74Å; L118-R127 PolarHBondContact O-N 3.36Å; R127-F147 HydrophobicContact CB-CE1 3.9Å; R127-F147 HydrophobicContact CB-CZ 3.7Å; R127-F147 HydrophobicContact CG-CE1 3.92Å; R127-F147 HydrophobicContact CG-CZ 3.91Å; R127-C149 PolarHBondContact NE-SG 3.14Å; R127-C149 PolarHBondContact NH2-SG 3.48Å; R127-C149 VanDerWaalsContact NH2-SG 3.43Å; R127-W162 VanDerWaalsContact NH1-CE3 3.28Å; R127-W162 PolarHBondContact NH1-O 3.35Å; R127-W162 PolarHBondContact NH2-O 3.32Å; R127-P163 VanDerWaalsContact NH1-C 3.31Å; R127-P163 PolarHBondContact NH1-O 2.79Å
128	Q	94.8	Very high	89.7	Confident	38 Å²	38	46.9 Å²	46.9	18%	0.178	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	128.7	165.5	-166.2	-175.6	-43.2	0	0	108.6	P115 W117	P115-Q128 HydrophobicContact CB-CG 3.48Å; P115-Q128 VanDerWaalsContact CB-CG 3.48Å; P115-Q128 HydrophobicContact CG-CG 4.22Å; P115-Q128 VanDerWaalsContact CG-NE2 3.32Å; W117-Q128 HydrophobicContact CD2-CB 4.1Å; W117-Q128 HydrophobicContact CD2-CG 4.4Å; W117-Q128 HydrophobicContact CE3-CB 4.09Å; W117-Q128 VanDerWaalsContact CE3-N 3.33Å; W117-Q128 HydrophobicContact CH2-CB 3.72Å; W117-Q128 HydrophobicContact CH2-CG 4.43Å; W117-Q128 HydrophobicContact CZ2-CB 3.71Å; W117-Q128 HydrophobicContact CZ2-CG 3.92Å; W117-Q128 HydrophobicContact CZ3-CB 3.91Å
129	L	93.6	Very high	89	Confident	4 Å²	4	55.9 Å²	55.9	2%	0.021	30%	0.298	C	S	.	.	P	Polyproline II helix	trans	-83.8	158.1	176.9	-53.8	-169.9	0	0	0	111.5	W116 L118 T133 V135 Y142 F147 V152	W116-L129 HydrophobicContact CB-CB 4.04Å; W116-L129 HydrophobicContact CB-CD1 3.78Å; W116-L129 HydrophobicContact CB-CG 4.01Å; W116-L129 PolarHBondContact O-N 3.26Å; L118-L129 HydrophobicContact CB-CD2 4.34Å; L118-L129 HydrophobicContact CD1-CD1 3.65Å; L118-L129 HydrophobicContact CD1-CD2 4.3Å; L118-L129 HydrophobicContact CD1-CG 4.43Å; L118-L129 HydrophobicContact CG-CD1 3.89Å; L118-L129 HydrophobicContact CG-CD2 4.37Å; L118-L129 HydrophobicContact CG-CG 4.33Å; L129-T133 HydrophobicContact CB-CG2 4.47Å; L129-T133 HydrophobicContact CD1-CG2 3.85Å; L129-V135 HydrophobicContact CD1-CG2 4.14Å; L129-Y142 HydrophobicContact CD1-CD1 4.01Å; L129-Y142 HydrophobicContact CD1-CG 4.36Å; L129-Y142 HydrophobicContact CD2-CD1 3.9Å; L129-Y142 HydrophobicContact CD2-CE1 4.2Å; L129-F147 HydrophobicContact CD2-CD2 4.24Å; L129-F147 HydrophobicContact CD2-CE2 3.57Å; L129-F147 HydrophobicContact CD2-CZ 3.8Å; L129-V152 HydrophobicContact CD2-CG2 3.99Å
130	P	88.3	Confident	88.4	Confident	50 Å²	50	53.3 Å²	53.3	33%	0.325	29%	0.289	S	S	.	.	P	Polyproline II helix	trans	-56.1	150.4	170	-25.8	34.9	0	0	0	113.1	Q132 T133	P130-Q132 VanDerWaalsContact C-N 3.3Å; P130-Q132 PolarHBondContact O-N 3.3Å; P130-T133 WeakPolarHBondContact O-CB 3.36Å; P130-T133 PolarHBondContact O-N 3.05Å; P130-T133 PolarHBondContact O-OG1 3.22Å
131	P	80.6	Confident	88	Confident	73 Å²	73	57.2 Å²	57.2	47%	0.474	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-26	-174.4	-27.4	35.1	0	0	0	116.7	M1	M1-P131 HydrophobicContact CB-CG 4.38Å
132	Q	80.1	Confident	87.9	Confident	191 Å²	191	55.5 Å²	55.5	89%	0.893	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.3	30.7	-175.6	-64.7	-178.4	6.6	0	0	112.3	P130	P130-Q132 VanDerWaalsContact C-N 3.3Å; P130-Q132 PolarHBondContact O-N 3.3Å
133	T	86.2	Confident	87.8	Confident	9 Å²	9	50.7 Å²	50.7	6%	0.055	28%	0.276	C	S	.	.			trans	-77.4	128.8	-177.6	-63.9	0	0	0	0	112.1	L129 P130 V135 Y142	L129-T133 HydrophobicContact CB-CG2 4.47Å; L129-T133 HydrophobicContact CD1-CG2 3.85Å; P130-T133 WeakPolarHBondContact O-CB 3.36Å; P130-T133 PolarHBondContact O-N 3.05Å; P130-T133 PolarHBondContact O-OG1 3.22Å; T133-V135 HydrophobicContact CG2-CG2 3.98Å; T133-V135 PolarHBondContact O-N 3.12Å; T133-V135 VanDerWaalsContact O-N 3.15Å; T133-Y142 HydrophobicContact CG2-CD1 3.91Å; T133-Y142 HydrophobicContact CG2-CD2 3.19Å; T133-Y142 HydrophobicContact CG2-CE1 4.45Å; T133-Y142 HydrophobicContact CG2-CE2 3.86Å; T133-Y142 HydrophobicContact CG2-CG 3.23Å
134	T	87.4	Confident	87.7	Confident	59 Å²	59	48.7 Å²	48.7	36%	0.362	26%	0.262	S	S	.	.			trans	-85.7	71.6	178.2	49.6	0	0	0	0	112.2	G136 S137 P213	T134-G136 PolarHBondContact O-N 2.8Å; T134-S137 PolarHBondContact O-N 3.33Å; T134-P213 CarbonylContact C-O 3.59Å; T134-P213 WeakPolarHBondContact CA-O 3.37Å; T134-P213 WeakPolarHBondContact CB-O 3.48Å
135	V	88	Confident	87.5	Confident	1 Å²	1	50.8 Å²	50.8	1%	0.006	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-28.4	-178.1	179.5	0	0	0	0	113	W116 L129 T133 P213 F290	W116-V135 HydrophobicContact CB-CG2 4.3Å; W116-V135 HydrophobicContact CD2-CG2 4Å; W116-V135 HydrophobicContact CG-CG2 3.77Å; L129-V135 HydrophobicContact CD1-CG2 4.14Å; T133-V135 HydrophobicContact CG2-CG2 3.98Å; T133-V135 PolarHBondContact O-N 3.12Å; T133-V135 VanDerWaalsContact O-N 3.15Å; V135-P213 PolarHBondContact N-O 3.25Å; V135-F290 HydrophobicContact CG1-CD1 3.67Å; V135-F290 HydrophobicContact CG1-CE1 3.54Å
136	G	82.8	Confident	87.3	Confident	3 Å²	3	52.8 Å²	52.8	3%	0.031	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-20	-180	0	0	0	0	0	114.5	T134 S138 P213	T134-G136 PolarHBondContact O-N 2.8Å; G136-S138 PolarHBondContact O-N 3.32Å; G136-P213 WeakPolarHBondContact CA-O 3.38Å; G136-P213 PolarHBondContact N-O 2.99Å
137	S	83.7	Confident	87.2	Confident	29 Å²	29	52.6 Å²	52.6	20%	0.203	27%	0.272	C	S	.	.			trans	-73.3	121.4	-173.6	-176.6	0	0	0	0	111.8	T134 K139 C140	T134-S137 PolarHBondContact O-N 3.33Å; S137-K139 PolarHBondContact O-N 2.99Å; S137-C140 WeakPolarHBondContact O-CB 3.28Å; S137-C140 PolarHBondContact O-N 2.94Å
138	S	77	Confident	87.1	Confident	66 Å²	66	53.7 Å²	53.7	46%	0.462	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-27.8	177.2	56.8	0	0	0	0	113.9	G136 C140 K146	G136-S138 PolarHBondContact O-N 3.32Å; S138-C140 VanDerWaalsContact C-N 3.32Å; S138-K146 PolarHBondContact O-NZ 2.76Å
139	K	80.9	Confident	87.1	Confident	193 Å²	193	51.9 Å²	51.9	84%	0.839	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.7	-10.9	177.8	-63.4	-177.9	-179	177.1	0	113.5	S137	S137-K139 PolarHBondContact O-N 2.99Å
140	C	82.3	Confident	86.9	Confident	23 Å²	23	54 Å²	54	16%	0.155	29%	0.289	C	S	.	.	S	Bend	trans	-96.2	146.3	-174.2	-163.9	0	0	0	0	112.4	S137 S138 Y142	S137-C140 WeakPolarHBondContact O-CB 3.28Å; S137-C140 PolarHBondContact O-N 2.94Å; S138-C140 VanDerWaalsContact C-N 3.32Å; C140-Y142 VanDerWaalsContact C-N 3.27Å; C140-Y142 PolarHBondContact O-N 3.34Å; C140-Y142 WeakPolarHBondContact SG-CD2 3.46Å
141	N	85.8	Confident	87	Confident	83 Å²	83	52.8 Å²	52.8	44%	0.444	28%	0.279	S	S	.	.	S	Bend	trans	-76.4	-12.3	176.3	-66.8	-12.8	0	0	0	113.5	R143 F147 D151	N141-R143 PolarHBondContact O-N 3.12Å; N141-F147 VanDerWaalsContact O-CA 3.31Å; N141-F147 WeakPolarHBondContact O-CA 3.47Å; N141-F147 PolarHBondContact O-N 2.77Å; N141-D151 WeakPolarHBondContact CB-OD1 3.35Å; N141-D151 PolarHBondContact ND2-OD1 3.29Å
142	Y	90.7	Very high	87.4	Confident	39 Å²	39	51.3 Å²	51.3	15%	0.153	27%	0.269	C	S	.	.			trans	-78.5	48.7	179.6	-62.8	-65.3	0	0	0	112.8	L129 T133 C140 F147 D151 V152	L129-Y142 HydrophobicContact CD1-CD1 4.01Å; L129-Y142 HydrophobicContact CD1-CG 4.36Å; L129-Y142 HydrophobicContact CD2-CD1 3.9Å; L129-Y142 HydrophobicContact CD2-CE1 4.2Å; T133-Y142 HydrophobicContact CG2-CD1 3.91Å; T133-Y142 HydrophobicContact CG2-CD2 3.19Å; T133-Y142 HydrophobicContact CG2-CE1 4.45Å; T133-Y142 HydrophobicContact CG2-CE2 3.86Å; T133-Y142 HydrophobicContact CG2-CG 3.23Å; C140-Y142 VanDerWaalsContact C-N 3.27Å; C140-Y142 PolarHBondContact O-N 3.34Å; C140-Y142 WeakPolarHBondContact SG-CD2 3.46Å; Y142-F147 AromaticContact CD1-CD2 3.94Å; Y142-F147 HydrophobicContact CD1-CD2 3.94Å; Y142-F147 AromaticContact CD1-CE2 3.97Å; Y142-F147 HydrophobicContact CD1-CE2 3.97Å; Y142-F147 HydrophobicContact CE1-CE2 4.16Å; Y142-D151 HydrophobicContact CD1-CB 4.28Å; Y142-D151 HydrophobicContact CE1-CB 3.74Å; Y142-D151 PolarHBondContact OH-O 3.26Å; Y142-V152 HydrophobicContact CE1-CG2 4.1Å
143	R	89.3	Confident	87.7	Confident	60 Å²	60	43.3 Å²	43.3	23%	0.226	23%	0.233	C	C	.	.	S	Bend	trans	-118	146	171.6	-62.4	-177.1	60.6	86	-1	109.6	N141 D145 K146 F147	N141-R143 PolarHBondContact O-N 3.12Å; R143-D145 WeakPolarHBondContact CB-OD1 3.35Å; R143-D145 IonicContact NE-OD1 3.68Å; R143-D145 PolarHBondContact O-N 2.86Å; R143-D145 VanDerWaalsContact O-N 3.11Å; R143-K146 PolarHBondContact O-N 3.35Å; R143-F147 VanDerWaalsContact O-CB 3.24Å; R143-F147 WeakPolarHBondContact O-CB 2.9Å; R143-F147 PolarHBondContact O-N 3.32Å
144	P	90.3	Very high	87.4	Confident	5 Å²	5	50.4 Å²	50.4	3%	0.032	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-50.6	-38.2	-178.6	-29.1	35.4	0	0	0	114.3	L118 N121 K146 N287 F290	L118-P144 HydrophobicContact CD2-CB 4.34Å; L118-P144 HydrophobicContact CD2-CG 3.77Å; N121-P144 PolarHBondContact ND2-O 3.5Å; N121-P144 PolarHBondContact OD1-O 3.3Å; P144-K146 PolarHBondContact O-N 3.12Å; P144-N287 HydrophobicContact CB-CB 4.12Å; P144-N287 WeakPolarHBondContact CB-OD1 3.41Å; P144-F290 HydrophobicContact CG-CE1 3.96Å; P144-F290 HydrophobicContact CG-CZ 4.2Å
145	D	88.3	Confident	87	Confident	75 Å²	75	57.4 Å²	57.4	40%	0.401	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-18.9	-178.7	59.7	-53	0	0	0	114.4	N121 R143	N121-D145 PolarHBondContact ND2-O 3.21Å; R143-D145 WeakPolarHBondContact CB-OD1 3.35Å; R143-D145 IonicContact NE-OD1 3.68Å; R143-D145 PolarHBondContact O-N 2.86Å; R143-D145 VanDerWaalsContact O-N 3.11Å
146	K	90.5	Very high	86.8	Confident	101 Å²	101	59.4 Å²	59.4	44%	0.439	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-117.4	-19.6	-175	-62.8	-177.7	-175.3	179.4	0	114.4	N121 S138 R143 P144 T148	N121-K146 PolarHBondContact ND2-N 2.81Å; S138-K146 PolarHBondContact O-NZ 2.76Å; R143-K146 PolarHBondContact O-N 3.35Å; P144-K146 PolarHBondContact O-N 3.12Å; K146-T148 PolarHBondContact O-N 3.45Å
147	F	94.4	Very high	86.8	Confident	0 Å²	0	67.7 Å²	67.7	0%	0	35%	0.347	C	S	.	.			trans	-63.8	133.1	-166.7	175.6	-106.1	0	0	0	114.1	L118 C120 N121 R127 L129 N141 Y142 R143 D151 V152	L118-F147 HydrophobicContact CB-CB 4.23Å; L118-F147 HydrophobicContact CB-CD1 3.42Å; L118-F147 VanDerWaalsContact CB-CD1 3.42Å; L118-F147 HydrophobicContact CB-CD2 4.38Å; L118-F147 HydrophobicContact CB-CE1 3.82Å; L118-F147 HydrophobicContact CB-CG 3.74Å; L118-F147 HydrophobicContact CB-CZ 4.45Å; L118-F147 HydrophobicContact CD1-CB 3.78Å; L118-F147 HydrophobicContact CD1-CD1 4.36Å; L118-F147 HydrophobicContact CD1-CD2 4.01Å; L118-F147 HydrophobicContact CD1-CG 3.78Å; L118-F147 HydrophobicContact CG-CG 4.43Å; C120-F147 HydrophobicContact CB-CD1 4.5Å; C120-F147 HydrophobicContact CB-CE1 4.31Å; N121-F147 PolarHBondContact N-O 3.3Å; R127-F147 HydrophobicContact CB-CE1 3.9Å; R127-F147 HydrophobicContact CB-CZ 3.7Å; R127-F147 HydrophobicContact CG-CE1 3.92Å; R127-F147 HydrophobicContact CG-CZ 3.91Å; L129-F147 HydrophobicContact CD2-CD2 4.24Å; L129-F147 HydrophobicContact CD2-CE2 3.57Å; L129-F147 HydrophobicContact CD2-CZ 3.8Å; N141-F147 VanDerWaalsContact O-CA 3.31Å; N141-F147 WeakPolarHBondContact O-CA 3.47Å; N141-F147 PolarHBondContact O-N 2.77Å; Y142-F147 AromaticContact CD1-CD2 3.94Å; Y142-F147 HydrophobicContact CD1-CD2 3.94Å; Y142-F147 AromaticContact CD1-CE2 3.97Å; Y142-F147 HydrophobicContact CD1-CE2 3.97Å; Y142-F147 HydrophobicContact CE1-CE2 4.16Å; R143-F147 VanDerWaalsContact O-CB 3.24Å; R143-F147 WeakPolarHBondContact O-CB 2.9Å; R143-F147 PolarHBondContact O-N 3.32Å; F147-D151 HydrophobicContact CD2-CB 4.23Å; F147-D151 HydrophobicContact CE2-CB 4.07Å; F147-V152 HydrophobicContact CE2-CG2 3.69Å; F147-V152 HydrophobicContact CZ-CG2 3.76Å
148	T	94.1	Very high	87.1	Confident	25 Å²	25	70.5 Å²	70.5	15%	0.153	36%	0.36	C	S	.	.			trans	-131.8	160.4	172.3	70.6	0	0	0	0	112.1	K122 K146 A150 D151	K122-T148 HydrophobicContact CD-CG2 4.24Å; K122-T148 HydrophobicContact CG-CG2 4.1Å; K146-T148 PolarHBondContact O-N 3.45Å; T148-A150 PolarHBondContact O-N 2.92Å; T148-A150 VanDerWaalsContact O-N 3.07Å; T148-D151 PolarHBondContact N-OD2 3.18Å; T148-D151 WeakPolarHBondContact O-CB 2.99Å; T148-D151 PolarHBondContact O-N 3.49Å; T148-D151 PolarHBondContact OG1-OD2 2.99Å
149	C	94	Very high	87.7	Confident	0 Å²	0	68.5 Å²	68.5	0%	0	35%	0.345	C	S	.	.	H	α-helix	trans	-58.7	-24.6	178.4	-68.7	0	0	0	0	113.2	C120 R127 D151 V152 V153 P159	C120-C149 VanDerWaalsContact CB-SG 3.51Å; C120-C149 PolarHBondContact SG-N 3.23Å; C120-C149 PolarHBondContact SG-SG 3.18Å; R127-C149 PolarHBondContact NE-SG 3.14Å; R127-C149 PolarHBondContact NH2-SG 3.48Å; R127-C149 VanDerWaalsContact NH2-SG 3.43Å; C149-D151 PolarHBondContact O-N 3.14Å; C149-V152 PolarHBondContact O-N 3.1Å; C149-V153 PolarHBondContact O-N 3.18Å; C149-P159 HydrophobicContact CB-CB 3.72Å; C149-P159 WeakPolarHBondContact CB-O 3.14Å
150	A	90.9	Very high	88.3	Confident	50 Å²	50	60.9 Å²	60.9	41%	0.413	32%	0.316	S	S	.	.	H	α-helix	trans	-63.5	-24.7	178.3	0	0	0	0	0	112.9	T148 V152 P159	T148-A150 PolarHBondContact O-N 2.92Å; T148-A150 VanDerWaalsContact O-N 3.07Å; A150-V152 VanDerWaalsContact C-N 3.34Å; A150-P159 HydrophobicContact CB-CB 4.36Å; A150-P159 HydrophobicContact CB-CG 4.06Å
151	D	89.4	Confident	88.8	Confident	23 Å²	23	63.6 Å²	63.6	12%	0.123	34%	0.335	C	S	.	.	H	α-helix	trans	-71.1	-31.2	180	-58.9	-61.3	0	0	0	111.8	N141 Y142 F147 T148 C149	N141-D151 WeakPolarHBondContact CB-OD1 3.35Å; N141-D151 PolarHBondContact ND2-OD1 3.29Å; Y142-D151 HydrophobicContact CD1-CB 4.28Å; Y142-D151 HydrophobicContact CE1-CB 3.74Å; Y142-D151 PolarHBondContact OH-O 3.26Å; F147-D151 HydrophobicContact CD2-CB 4.23Å; F147-D151 HydrophobicContact CE2-CB 4.07Å; T148-D151 PolarHBondContact N-OD2 3.18Å; T148-D151 WeakPolarHBondContact O-CB 2.99Å; T148-D151 PolarHBondContact O-N 3.49Å; T148-D151 PolarHBondContact OG1-OD2 2.99Å; C149-D151 PolarHBondContact O-N 3.14Å
152	V	88.5	Confident	88.9	Confident	42 Å²	42	65.7 Å²	65.7	26%	0.255	34%	0.337	S	S	.	.	H	α-helix	trans	-98.2	-44.7	179.9	-177.6	0	0	0	0	111.7	L129 Y142 F147 C149 A150 K154	L129-V152 HydrophobicContact CD2-CG2 3.99Å; Y142-V152 HydrophobicContact CE1-CG2 4.1Å; F147-V152 HydrophobicContact CE2-CG2 3.69Å; F147-V152 HydrophobicContact CZ-CG2 3.76Å; C149-V152 PolarHBondContact O-N 3.1Å; A150-V152 VanDerWaalsContact C-N 3.34Å; V152-K154 PolarHBondContact O-N 2.86Å
153	V	86.9	Confident	88.8	Confident	24 Å²	24	68 Å²	68	15%	0.145	36%	0.356	C	S	.	.			trans	-96.7	82.5	-175.9	-171.6	0	0	0	0	109.1	C149 S156 P159 W162	C149-V153 PolarHBondContact O-N 3.18Å; V153-S156 VanDerWaalsContact CG1-CB 3.49Å; V153-P159 HydrophobicContact CB-CB 4.11Å; V153-W162 HydrophobicContact CG2-CB 4.09Å; V153-W162 HydrophobicContact CG2-CD2 4.03Å; V153-W162 HydrophobicContact CG2-CE3 4.09Å; V153-W162 HydrophobicContact CG2-CG 4Å
154	K	80.2	Confident	88.9	Confident	157 Å²	157	66.1 Å²	66.1	68%	0.683	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.4	-25.4	-174.7	-63	-171	178.7	-173.2	0	114.9	V152	V152-K154 PolarHBondContact O-N 2.86Å
155	F	79.9	Confident	88.9	Confident	206 Å²	206	68 Å²	68	90%	0.904	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.7	21.4	-170.4	-55.7	-72.5	0	0	0	113.7
156	S	82.3	Confident	88.9	Confident	43 Å²	43	69.6 Å²	69.6	30%	0.301	37%	0.366	S	S	.	.			trans	-113.5	133.1	174.5	-179.2	0	0	0	0	110	V153 N158 P159	V153-S156 VanDerWaalsContact CG1-CB 3.49Å; S156-N158 PolarHBondContact O-N 3.21Å; S156-N158 PolarHBondContact OG-N 3.21Å; S156-N158 VanDerWaalsContact OG-N 3.12Å; S156-N158 PolarHBondContact OG-O 3.21Å; S156-P159 WeakPolarHBondContact O-CD 3.35Å; S156-P159 WeakPolarHBondContact O-CG 3.44Å
157	N	84.3	Confident	89	Confident	178 Å²	178	66.8 Å²	66.8	95%	0.952	35%	0.353	S	S	*	.	S	Bend	trans	-64.8	-24.4	170.5	-65.4	-12.2	0	0	0	111.6
158	N	89.1	Confident	88.9	Confident	88 Å²	88	66.8 Å²	66.8	47%	0.471	35%	0.353	S	S	.	.			trans	-127.6	83	172.8	-170.1	-3.4	0	0	0	110.3	S156 C160 S161	S156-N158 PolarHBondContact O-N 3.21Å; S156-N158 PolarHBondContact OG-N 3.21Å; S156-N158 VanDerWaalsContact OG-N 3.12Å; S156-N158 PolarHBondContact OG-O 3.21Å; N158-C160 PolarHBondContact O-N 3.4Å; N158-C160 VanDerWaalsContact O-N 3.17Å; N158-C160 PolarHBondContact OD1-N 3.27Å; N158-S161 PolarHBondContact O-N 3.28Å; N158-S161 PolarHBondContact O-OG 3.2Å; N158-S161 PolarHBondContact OD1-N 2.66Å
159	P	89.9	Confident	88.8	Confident	24 Å²	24	69.3 Å²	69.3	16%	0.156	36%	0.362	C	S	.	.	G	3₁₀ helix	trans	-57.9	-29.8	-179.9	-28.8	38.1	0	0	0	113.6	C149 A150 V153 S156 S161 W162	C149-P159 HydrophobicContact CB-CB 3.72Å; C149-P159 WeakPolarHBondContact CB-O 3.14Å; A150-P159 HydrophobicContact CB-CB 4.36Å; A150-P159 HydrophobicContact CB-CG 4.06Å; V153-P159 HydrophobicContact CB-CB 4.11Å; S156-P159 WeakPolarHBondContact O-CD 3.35Å; S156-P159 WeakPolarHBondContact O-CG 3.44Å; P159-S161 VanDerWaalsContact C-N 3.34Å; P159-W162 WeakPolarHBondContact O-CB 3.38Å; P159-W162 PolarHBondContact O-N 3.3Å
160	C	93.9	Very high	88.5	Confident	33 Å²	33	72 Å²	72	22%	0.223	38%	0.376	C	S	.	.	G	3₁₀ helix	trans	-75.4	-21.6	-176.9	-70.4	0	0	0	0	113.4	C123 N158 W162	C123-C160 HydrophobicContact CB-CB 3.85Å; N158-C160 PolarHBondContact O-N 3.4Å; N158-C160 VanDerWaalsContact O-N 3.17Å; N158-C160 PolarHBondContact OD1-N 3.27Å; C160-W162 PolarHBondContact O-N 2.99Å
161	S	91.7	Very high	88.5	Confident	79 Å²	79	69.7 Å²	69.7	55%	0.552	36%	0.356	S	S	*	.	G	3₁₀ helix	trans	-77.9	-5.9	175.7	68.3	0	0	0	0	113.5	N158 P159	N158-S161 PolarHBondContact O-N 3.28Å; N158-S161 PolarHBondContact O-OG 3.2Å; N158-S161 PolarHBondContact OD1-N 2.66Å; P159-S161 VanDerWaalsContact C-N 3.34Å
162	W	88.6	Confident	88.6	Confident	128 Å²	128	70.9 Å²	70.9	49%	0.485	36%	0.362	S	S	.	.	S	Bend	trans	-63.2	132.3	176.7	-162.9	65.9	0	0	0	109.9	R127 V153 P159 C160	R127-W162 VanDerWaalsContact NH1-CE3 3.28Å; R127-W162 PolarHBondContact NH1-O 3.35Å; R127-W162 PolarHBondContact NH2-O 3.32Å; V153-W162 HydrophobicContact CG2-CB 4.09Å; V153-W162 HydrophobicContact CG2-CD2 4.03Å; V153-W162 HydrophobicContact CG2-CE3 4.09Å; V153-W162 HydrophobicContact CG2-CG 4Å; P159-W162 WeakPolarHBondContact O-CB 3.38Å; P159-W162 PolarHBondContact O-N 3.3Å; C160-W162 PolarHBondContact O-N 2.99Å
163	P	89	Confident	88.7	Confident	86 Å²	86	74.9 Å²	74.9	56%	0.558	38%	0.382	S	S	*	.	P	Polyproline II helix	trans	-62.5	144.9	-176.1	24.8	-34.2	0	0	0	111.5	R127	R127-P163 VanDerWaalsContact NH1-C 3.31Å; R127-P163 PolarHBondContact NH1-O 2.79Å
164	V	90.9	Very high	88.7	Confident	21 Å²	21	79.3 Å²	79.3	13%	0.127	40%	0.399	C	S	.	.	P	Polyproline II helix	trans	-71.8	145.8	173.3	60.5	0	0	0	0	109.8	L125 E166 A168 K169	L125-V164 HydrophobicContact CD2-CB 4.37Å; V164-E166 PolarHBondContact O-N 3.15Å; V164-A168 HydrophobicContact CG2-CB 4Å; V164-K169 HydrophobicContact CG1-CD 3.79Å; V164-K169 HydrophobicContact CG1-CG 3.54Å
165	D	90.6	Very high	89.1	Confident	44 Å²	44	72.7 Å²	72.7	24%	0.235	37%	0.372	C	S	.	.	P	Polyproline II helix	trans	-59.4	132.7	176.5	-170.4	-60.5	0	0	0	110.4	W117 R167 A168 K169	W117-D165 HydrophobicContact CH2-CB 3.64Å; W117-D165 HydrophobicContact CZ3-CB 3.99Å; D165-R167 PolarHBondContact O-N 2.9Å; D165-R167 VanDerWaalsContact OD1-CB 3.26Å; D165-R167 WeakPolarHBondContact OD1-CB 3.38Å; D165-R167 WeakPolarHBondContact OD1-CG 3.48Å; D165-R167 IonicContact OD1-CZ 2.77Å; D165-R167 PolarHBondContact OD1-N 3.17Å; D165-R167 IonicContact OD1-NE 3.66Å; D165-R167 PolarHBondContact OD1-NE 2.76Å; D165-R167 IonicContact OD1-NH2 3.58Å; D165-R167 IonicContact OD2-CZ 3.8Å; D165-R167 IonicContact OD2-NE 3.33Å; D165-R167 PolarHBondContact OD2-NE 3.03Å; D165-R167 IonicContact OD2-NH2 3.79Å; D165-R167 PolarHBondContact OD2-NH2 2.75Å; D165-A168 HydrophobicContact CB-CB 4.5Å; D165-A168 WeakPolarHBondContact O-CB 3.36Å; D165-A168 PolarHBondContact O-N 3.47Å; D165-K169 PolarHBondContact O-N 3.49Å
166	E	88.1	Confident	89.3	Confident	110 Å²	110	67.6 Å²	67.6	51%	0.514	35%	0.351	S	S	.	.	H	α-helix	trans	-58.4	-32.7	-178.6	-69	-56.7	136.2	0	0	112.5	V164 A168 K169 I170	V164-E166 PolarHBondContact O-N 3.15Å; E166-A168 VanDerWaalsContact C-N 3.32Å; E166-A168 PolarHBondContact O-N 3.2Å; E166-K169 WeakPolarHBondContact O-CB 3.49Å; E166-K169 PolarHBondContact O-N 3.1Å; E166-K169 IonicContact OE1-NZ 2.95Å; E166-K169 PolarHBondContact OE1-NZ 2.91Å; E166-K169 WeakPolarHBondContact OE2-CD 3.06Å; E166-K169 IonicContact OE2-NZ 3.76Å; E166-I170 VanDerWaalsContact O-CG1 3.26Å; E166-I170 WeakPolarHBondContact O-CG1 3.42Å; E166-I170 PolarHBondContact O-N 3.03Å
167	R	91.5	Very high	89.4	Confident	41 Å²	41	69.8 Å²	69.8	16%	0.155	36%	0.359	C	S	.	.	H	α-helix	trans	-64	-40.4	176.4	-61.8	171.5	-67.3	165	3.2	111.1	G52 D165 I170 V171 L294	G52-R167 PolarHBondContact O-NH1 3.34Å; D165-R167 PolarHBondContact O-N 2.9Å; D165-R167 VanDerWaalsContact OD1-CB 3.26Å; D165-R167 WeakPolarHBondContact OD1-CB 3.38Å; D165-R167 WeakPolarHBondContact OD1-CG 3.48Å; D165-R167 IonicContact OD1-CZ 2.77Å; D165-R167 PolarHBondContact OD1-N 3.17Å; D165-R167 IonicContact OD1-NE 3.66Å; D165-R167 PolarHBondContact OD1-NE 2.76Å; D165-R167 IonicContact OD1-NH2 3.58Å; D165-R167 IonicContact OD2-CZ 3.8Å; D165-R167 IonicContact OD2-NE 3.33Å; D165-R167 PolarHBondContact OD2-NE 3.03Å; D165-R167 IonicContact OD2-NH2 3.79Å; D165-R167 PolarHBondContact OD2-NH2 2.75Å; R167-I170 PolarHBondContact O-N 3.42Å; R167-V171 WeakPolarHBondContact O-CB 3.42Å; R167-V171 WeakPolarHBondContact O-CG2 3.26Å; R167-V171 PolarHBondContact O-N 3.45Å; R167-L294 HydrophobicContact CB-CD1 3.83Å; R167-L294 HydrophobicContact CB-CD2 4.15Å
168	A	93.4	Very high	89.6	Confident	0 Å²	0	61.3 Å²	61.3	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-64.1	-41.7	176.7	0	0	0	0	0	111.4	W117 W126 V164 D165 E166 V171 I172 I297	W117-A168 HydrophobicContact CH2-CB 4.37Å; W117-A168 HydrophobicContact CZ3-CB 3.91Å; W126-A168 HydrophobicContact CB-CB 4.2Å; V164-A168 HydrophobicContact CG2-CB 4Å; D165-A168 HydrophobicContact CB-CB 4.5Å; D165-A168 WeakPolarHBondContact O-CB 3.36Å; D165-A168 PolarHBondContact O-N 3.47Å; E166-A168 VanDerWaalsContact C-N 3.32Å; E166-A168 PolarHBondContact O-N 3.2Å; A168-V171 PolarHBondContact O-N 3.18Å; A168-I172 WeakPolarHBondContact O-CB 3.41Å; A168-I172 WeakPolarHBondContact O-CD1 3.5Å; A168-I172 VanDerWaalsContact O-CG1 3.25Å; A168-I172 WeakPolarHBondContact O-CG1 3.38Å; A168-I172 PolarHBondContact O-N 3.42Å; A168-I297 HydrophobicContact CB-CD1 3.66Å
169	K	91	Very high	89.5	Confident	79 Å²	79	57.6 Å²	57.6	34%	0.343	29%	0.294	S	S	.	.	H	α-helix	trans	-58.9	-48.4	174	-73	167.7	164.5	175.6	0	112	V164 D165 E166 V171 I172 N173	V164-K169 HydrophobicContact CG1-CD 3.79Å; V164-K169 HydrophobicContact CG1-CG 3.54Å; D165-K169 PolarHBondContact O-N 3.49Å; E166-K169 WeakPolarHBondContact O-CB 3.49Å; E166-K169 PolarHBondContact O-N 3.1Å; E166-K169 IonicContact OE1-NZ 2.95Å; E166-K169 PolarHBondContact OE1-NZ 2.91Å; E166-K169 WeakPolarHBondContact OE2-CD 3.06Å; E166-K169 IonicContact OE2-NZ 3.76Å; K169-V171 VanDerWaalsContact C-N 3.34Å; K169-V171 PolarHBondContact O-N 3.12Å; K169-I172 PolarHBondContact O-N 2.95Å; K169-N173 WeakPolarHBondContact O-CB 3.43Å; K169-N173 VanDerWaalsContact O-CG 3.23Å; K169-N173 PolarHBondContact O-N 2.8Å; K169-N173 PolarHBondContact O-ND2 2.83Å
170	I	88.3	Confident	89.2	Confident	57 Å²	57	58.5 Å²	58.5	29%	0.292	30%	0.304	S	S	.	.	H	α-helix	trans	-62.2	-45.1	-178.2	-63.3	161.9	0	0	0	110.3	I25 L51 E166 R167 I172 N173 K174	I25-I170 HydrophobicContact CD1-CD1 4.41Å; L51-I170 HydrophobicContact CD2-CB 4.1Å; L51-I170 HydrophobicContact CD2-CG2 3.47Å; L51-I170 VanDerWaalsContact CD2-CG2 3.47Å; E166-I170 VanDerWaalsContact O-CG1 3.26Å; E166-I170 WeakPolarHBondContact O-CG1 3.42Å; E166-I170 PolarHBondContact O-N 3.03Å; R167-I170 PolarHBondContact O-N 3.42Å; I170-I172 PolarHBondContact O-N 2.94Å; I170-N173 PolarHBondContact O-N 3.24Å; I170-K174 PolarHBondContact O-N 3.21Å
171	V	90.9	Very high	89	Confident	0 Å²	0	57 Å²	57	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-66.5	-37.5	-178.4	172.7	0	0	0	0	112.3	L51 R167 A168 K169 F178 L294 I297 V298	L51-V171 HydrophobicContact CD2-CG2 4.07Å; R167-V171 WeakPolarHBondContact O-CB 3.42Å; R167-V171 WeakPolarHBondContact O-CG2 3.26Å; R167-V171 PolarHBondContact O-N 3.45Å; A168-V171 PolarHBondContact O-N 3.18Å; K169-V171 VanDerWaalsContact C-N 3.34Å; K169-V171 PolarHBondContact O-N 3.12Å; V171-F178 HydrophobicContact CB-CD2 4.32Å; V171-F178 HydrophobicContact CB-CG 4.41Å; V171-F178 HydrophobicContact CG1-CB 4.21Å; V171-F178 HydrophobicContact CG1-CD1 4.14Å; V171-F178 HydrophobicContact CG1-CD2 4.08Å; V171-F178 HydrophobicContact CG1-CG 3.85Å; V171-F178 HydrophobicContact CG2-CB 4.12Å; V171-F178 HydrophobicContact CG2-CD2 3.28Å; V171-F178 HydrophobicContact CG2-CE2 3.82Å; V171-F178 HydrophobicContact CG2-CG 3.8Å; V171-L294 HydrophobicContact CG2-CB 4.33Å; V171-L294 HydrophobicContact CG2-CD1 4.22Å; V171-I297 HydrophobicContact CG1-CB 4.47Å; V171-V298 HydrophobicContact CG1-CG2 3.15Å
172	I	91.3	Very high	88.9	Confident	49 Å²	49	53.3 Å²	53.3	25%	0.251	27%	0.268	S	S	.	.	H	α-helix	trans	-64.4	-44.2	173.6	-70.7	163.2	0	0	0	110.8	A168 K169 I170 I297 E301 H302	A168-I172 WeakPolarHBondContact O-CB 3.41Å; A168-I172 WeakPolarHBondContact O-CD1 3.5Å; A168-I172 VanDerWaalsContact O-CG1 3.25Å; A168-I172 WeakPolarHBondContact O-CG1 3.38Å; A168-I172 PolarHBondContact O-N 3.42Å; K169-I172 PolarHBondContact O-N 2.95Å; I170-I172 PolarHBondContact O-N 2.94Å; I172-I297 HydrophobicContact CD1-CG2 3.96Å; I172-I297 HydrophobicContact CG1-CG2 3.51Å; I172-E301 HydrophobicContact CG1-CG 4.43Å; I172-H302 PolarHBondContact O-CE1 2.83Å; I172-H302 PolarHBondContact O-NE2 2.95Å
173	N	90.2	Very high	88.8	Confident	126 Å²	126	53.1 Å²	53.1	67%	0.674	27%	0.272	S	S	*	.	H	α-helix	trans	-78.8	-22.8	-175	-67.1	-15.5	0	0	0	113.7	K169 I170	K169-N173 WeakPolarHBondContact O-CB 3.43Å; K169-N173 VanDerWaalsContact O-CG 3.23Å; K169-N173 PolarHBondContact O-N 2.8Å; K169-N173 PolarHBondContact O-ND2 2.83Å; I170-N173 PolarHBondContact O-N 3.24Å
174	K	88.1	Confident	88.8	Confident	117 Å²	117	50.2 Å²	50.2	51%	0.509	25%	0.253	S	S	.	.			trans	-138.5	64.3	-174.9	-58.8	-174.1	172	-164.7	0	111.7	I170 H176 D177 F178	I170-K174 PolarHBondContact O-N 3.21Å; K174-H176 PolarHBondContact O-N 3.26Å; K174-D177 HydrophobicContact CB-CB 4.07Å; K174-D177 WeakPolarHBondContact CD-OD2 3.23Å; K174-D177 PolarHBondContact O-N 2.98Å; K174-F178 PolarHBondContact O-N 3.14Å; K174-F178 VanDerWaalsContact O-N 3.1Å
175	P	88.2	Confident	88.6	Confident	18 Å²	18	50.4 Å²	50.4	12%	0.117	25%	0.252	C	S	.	.	H	α-helix	trans	-62.9	-40.1	-176	25	-34.1	0	0	0	112.6	D177 F178 L179 V298	P175-D177 PolarHBondContact O-N 3.3Å; P175-F178 WeakPolarHBondContact O-CB 3.41Å; P175-F178 PolarHBondContact O-N 3.12Å; P175-L179 VanDerWaalsContact O-CG 3.3Å; P175-L179 WeakPolarHBondContact O-CG 3.47Å; P175-L179 PolarHBondContact O-N 3.17Å; P175-V298 HydrophobicContact CB-CG1 4.02Å
176	H	84.8	Confident	88.5	Confident	99 Å²	99	48.4 Å²	48.4	46%	0.458	24%	0.242	S	C	.	.	H	α-helix	trans	-64.4	-40.9	179.2	-52.6	-74.2	0	0	0	112.4	K174 F178 L179 A180 E253	K174-H176 PolarHBondContact O-N 3.26Å; H176-F178 VanDerWaalsContact C-N 3.34Å; H176-F178 PolarHBondContact O-N 2.92Å; H176-L179 PolarHBondContact O-N 3.17Å; H176-A180 VanDerWaalsContact O-CB 3.28Å; H176-A180 WeakPolarHBondContact O-CB 3.36Å; H176-A180 PolarHBondContact O-N 3.14Å; H176-E253 IonicContact CE1-OE1 2.84Å; H176-E253 PolarHBondContact CE1-OE1 3.37Å; H176-E253 IonicContact ND1-OE1 3.58Å; H176-E253 PolarHBondContact ND1-OE1 3.12Å
177	D	83.7	Confident	88.7	Confident	88 Å²	88	44.2 Å²	44.2	47%	0.471	22%	0.221	S	C	.	.	H	α-helix	trans	-64.4	-40.4	175.7	-70	-8.4	0	0	0	111	K174 P175 A180 S181	K174-D177 HydrophobicContact CB-CB 4.07Å; K174-D177 WeakPolarHBondContact CD-OD2 3.23Å; K174-D177 PolarHBondContact O-N 2.98Å; P175-D177 PolarHBondContact O-N 3.3Å; D177-A180 PolarHBondContact O-N 3.33Å; D177-S181 PolarHBondContact O-N 2.79Å
178	F	89.3	Confident	88.7	Confident	1 Å²	1	42.3 Å²	42.3	0%	0.004	21%	0.214	C	C	.	.	H	α-helix	trans	-60.2	-50.8	174	174.9	-97.2	0	0	0	111.4	S50 L51 V171 K174 P175 H176 A180 S181 M182 L294 L295 V298	S50-F178 WeakPolarHBondContact OG-CE2 3.17Å; L51-F178 HydrophobicContact CB-CD2 3.75Å; L51-F178 HydrophobicContact CB-CE2 4.22Å; V171-F178 HydrophobicContact CB-CD2 4.32Å; V171-F178 HydrophobicContact CB-CG 4.41Å; V171-F178 HydrophobicContact CG1-CB 4.21Å; V171-F178 HydrophobicContact CG1-CD1 4.14Å; V171-F178 HydrophobicContact CG1-CD2 4.08Å; V171-F178 HydrophobicContact CG1-CG 3.85Å; V171-F178 HydrophobicContact CG2-CB 4.12Å; V171-F178 HydrophobicContact CG2-CD2 3.28Å; V171-F178 HydrophobicContact CG2-CE2 3.82Å; V171-F178 HydrophobicContact CG2-CG 3.8Å; K174-F178 PolarHBondContact O-N 3.14Å; K174-F178 VanDerWaalsContact O-N 3.1Å; P175-F178 WeakPolarHBondContact O-CB 3.41Å; P175-F178 PolarHBondContact O-N 3.12Å; H176-F178 VanDerWaalsContact C-N 3.34Å; H176-F178 PolarHBondContact O-N 2.92Å; F178-A180 VanDerWaalsContact C-N 3.27Å; F178-A180 PolarHBondContact O-N 3.19Å; F178-S181 WeakPolarHBondContact O-CB 3.43Å; F178-S181 PolarHBondContact O-N 3.37Å; F178-S181 PolarHBondContact O-OG 3.4Å; F178-M182 HydrophobicContact CD1-CG 4.36Å; F178-M182 HydrophobicContact CD1-SD 4.29Å; F178-M182 HydrophobicContact CE1-CG 3.97Å; F178-M182 HydrophobicContact CE1-SD 3.58Å; F178-M182 VanDerWaalsContact CE1-SD 3.58Å; F178-M182 HydrophobicContact CZ-CG 4.22Å; F178-M182 HydrophobicContact CZ-SD 4.1Å; F178-M182 WeakPolarHBondContact O-CG 3.39Å; F178-M182 PolarHBondContact O-N 3.5Å; F178-L294 HydrophobicContact CE2-CB 3.65Å; F178-L294 HydrophobicContact CE2-CD1 4.22Å; F178-L294 HydrophobicContact CZ-CB 3.7Å; F178-L295 HydrophobicContact CE1-CB 4.24Å; F178-L295 HydrophobicContact CE1-CD1 4.31Å; F178-L295 HydrophobicContact CZ-CB 4.45Å; F178-V298 HydrophobicContact CD1-CG2 3.5Å; F178-V298 HydrophobicContact CE1-CG2 3.95Å; F178-V298 HydrophobicContact CG-CG2 4.19Å
179	L	86.8	Confident	88.7	Confident	9 Å²	9	42.5 Å²	42.5	5%	0.047	22%	0.215	C	C	.	.	H	α-helix	trans	-60.5	-38.6	178.1	-68	170.7	0	0	0	111.5	P175 H176 S181 M182 E253 L295 V298 W303	P175-L179 VanDerWaalsContact O-CG 3.3Å; P175-L179 WeakPolarHBondContact O-CG 3.47Å; P175-L179 PolarHBondContact O-N 3.17Å; H176-L179 PolarHBondContact O-N 3.17Å; L179-S181 VanDerWaalsContact C-N 3.27Å; L179-S181 PolarHBondContact O-N 3.42Å; L179-M182 HydrophobicContact CD2-CE 3.49Å; L179-M182 VanDerWaalsContact CD2-CE 3.49Å; L179-M182 HydrophobicContact CD2-SD 4.39Å; L179-M182 PolarHBondContact O-N 3.25Å; L179-E253 HydrophobicContact CD1-CB 4.39Å; L179-E253 HydrophobicContact CD1-CG 4.2Å; L179-L295 HydrophobicContact CD2-CD1 4.34Å; L179-V298 HydrophobicContact CD1-CG1 4.4Å; L179-V298 HydrophobicContact CD2-CG1 4.33Å; L179-V298 HydrophobicContact CG-CG1 4.38Å; L179-W303 HydrophobicContact CD1-CZ2 3.67Å; L179-W303 HydrophobicContact CD2-CZ2 4.04Å
180	A	84	Confident	88.5	Confident	44 Å²	44	41 Å²	41	36%	0.364	22%	0.218	S	C	.	.	H	α-helix	trans	-65.9	-29.7	175.5	0	0	0	0	0	112.8	H176 D177 F178 R256	H176-A180 VanDerWaalsContact O-CB 3.28Å; H176-A180 WeakPolarHBondContact O-CB 3.36Å; H176-A180 PolarHBondContact O-N 3.14Å; D177-A180 PolarHBondContact O-N 3.33Å; F178-A180 VanDerWaalsContact C-N 3.27Å; F178-A180 PolarHBondContact O-N 3.19Å; A180-R256 VanDerWaalsContact O-CZ 3.3Å; A180-R256 PolarHBondContact O-NH1 2.59Å; A180-R256 VanDerWaalsContact O-NH1 3.15Å; A180-R256 PolarHBondContact O-NH2 2.85Å
181	S	87.8	Confident	88.5	Confident	0 Å²	0	38.6 Å²	38.6	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-74.4	-26.8	176.1	81.1	0	0	0	0	113.4	H48 L51 D177 F178 L179 Q183	H48-S181 PolarHBondContact NE2-O 2.83Å; L51-S181 PolarHBondContact N-OG 3.44Å; D177-S181 PolarHBondContact O-N 2.79Å; F178-S181 WeakPolarHBondContact O-CB 3.43Å; F178-S181 PolarHBondContact O-N 3.37Å; F178-S181 PolarHBondContact O-OG 3.4Å; L179-S181 VanDerWaalsContact C-N 3.27Å; L179-S181 PolarHBondContact O-N 3.42Å; S181-Q183 PolarHBondContact O-N 3.33Å
182	M	89.6	Confident	88.1	Confident	3 Å²	3	40.4 Å²	40.4	2%	0.015	22%	0.217	C	C	.	.			trans	-62.9	127.6	-173.1	-65.7	-163	-51	0	0	112.7	F49 F178 L179 H185 R256 F257 L295	F49-M182 WeakPolarHBondContact O-CA 3.46Å; F178-M182 HydrophobicContact CD1-CG 4.36Å; F178-M182 HydrophobicContact CD1-SD 4.29Å; F178-M182 HydrophobicContact CE1-CG 3.97Å; F178-M182 HydrophobicContact CE1-SD 3.58Å; F178-M182 VanDerWaalsContact CE1-SD 3.58Å; F178-M182 HydrophobicContact CZ-CG 4.22Å; F178-M182 HydrophobicContact CZ-SD 4.1Å; F178-M182 WeakPolarHBondContact O-CG 3.39Å; F178-M182 PolarHBondContact O-N 3.5Å; L179-M182 HydrophobicContact CD2-CE 3.49Å; L179-M182 VanDerWaalsContact CD2-CE 3.49Å; L179-M182 HydrophobicContact CD2-SD 4.39Å; L179-M182 PolarHBondContact O-N 3.25Å; M182-H185 HydrophobicContact SD-CB 4.36Å; M182-R256 PolarHBondContact O-NH2 2.76Å; M182-F257 HydrophobicContact CB-CE1 4.45Å; M182-F257 HydrophobicContact CB-CE2 4.41Å; M182-F257 HydrophobicContact CB-CZ 3.74Å; M182-F257 HydrophobicContact CE-CD1 4.4Å; M182-F257 HydrophobicContact CE-CD2 3.69Å; M182-F257 HydrophobicContact CE-CE1 4.03Å; M182-F257 HydrophobicContact CE-CE2 3.23Å; M182-F257 HydrophobicContact CE-CG 4.26Å; M182-F257 HydrophobicContact CE-CZ 3.44Å; M182-F257 VanDerWaalsContact CE-CZ 3.44Å; M182-L295 HydrophobicContact CE-CD1 4.14Å; M182-L295 HydrophobicContact SD-CB 4.44Å; M182-L295 HydrophobicContact SD-CD1 3.92Å; M182-L295 HydrophobicContact SD-CD2 4.42Å; M182-L295 HydrophobicContact SD-CG 4.49Å
183	Q	88.1	Confident	87.8	Confident	123 Å²	123	38 Å²	38	58%	0.575	21%	0.205	S	C	*	.	S	Bend	trans	-107.9	-33.3	170.7	-71.7	-177.2	-0.1	0	0	112.2	H48 F49 S181	H48-Q183 PolarHBondContact O-OE1 3.37Å; H48-Q183 VanDerWaalsContact O-OE1 3.1Å; F49-Q183 PolarHBondContact O-N 3.02Å; S181-Q183 PolarHBondContact O-N 3.33Å
184	T	88.3	Confident	87.5	Confident	26 Å²	26	33.9 Å²	33.9	16%	0.16	18%	0.183	C	C	.	.	S	Bend	trans	-148.9	136	177.7	-59	0	0	0	0	108.6	F49 A106 N107 A110	F49-T184 HydrophobicContact CD1-CG2 4.16Å; F49-T184 HydrophobicContact CE1-CG2 4.14Å; F49-T184 PolarHBondContact O-N 3.43Å; A106-T184 HydrophobicContact CB-CG2 4.07Å; N107-T184 WeakPolarHBondContact OD1-CG2 3.39Å; A110-T184 HydrophobicContact CB-CG2 4.05Å
185	H	87.6	Confident	87	Confident	25 Å²	25	32.2 Å²	32.2	12%	0.116	18%	0.176	C	C	.	.			trans	-125.1	162.4	-178.8	63.2	82.4	0	0	0	112.1	A110 M182 F257 L295	A110-H185 WeakPolarHBondContact CB-O 3.1Å; M182-H185 HydrophobicContact SD-CB 4.36Å; H185-F257 AromaticContact CD2-CD1 3.67Å; H185-F257 AromaticContact CD2-CE1 3.93Å; H185-F257 AromaticContact NE2-CD1 3.79Å; H185-L295 HydrophobicContact CB-CD2 3.72Å
186	A	88.5	Confident	86.4	Confident	2 Å²	2	33.3 Å²	33.3	2%	0.017	18%	0.182	C	C	.	.	P	Polyproline II helix	trans	-77.1	160.8	168.9	0	0	0	0	0	110.8	A110 L114 V291 R292	A110-A186 WeakPolarHBondContact O-CB 3.49Å; L114-A186 HydrophobicContact CD1-CB 4.34Å; A186-V291 HydrophobicContact CB-CG1 3.96Å; A186-R292 HydrophobicContact CB-CB 3.8Å; A186-R292 WeakPolarHBondContact CB-O 3.22Å
187	W	90.7	Very high	85.9	Confident	21 Å²	21	28.7 Å²	28.7	8%	0.08	16%	0.161	C	C	.	.	P	Polyproline II helix	trans	-102.9	155.7	-178.8	-61.9	72	0	0	0	110	W90 I102 Q189 G206	W90-W187 HydrophobicContact CH2-CB 4.06Å; W90-W187 AromaticContact CH2-CD1 3.83Å; W90-W187 AromaticContact CH2-CD2 3.8Å; W90-W187 HydrophobicContact CH2-CD2 3.8Å; W90-W187 HydrophobicContact CH2-CE3 4.32Å; W90-W187 AromaticContact CH2-CG 3.63Å; W90-W187 HydrophobicContact CH2-CG 3.63Å; W90-W187 HydrophobicContact CZ2-CG 4.45Å; W90-W187 HydrophobicContact CZ3-CD2 4.24Å; W90-W187 HydrophobicContact CZ3-CE3 4.48Å; I102-W187 HydrophobicContact CD1-CH2 3.98Å; I102-W187 HydrophobicContact CD1-CZ2 4.31Å; I102-W187 HydrophobicContact CG1-CH2 4.44Å; I102-W187 HydrophobicContact CG1-CZ2 4.32Å; I102-W187 HydrophobicContact CG2-CZ2 4.04Å; W187-Q189 PolarHBondContact O-N 3.12Å; W187-G206 VanDerWaalsContact CE3-C 3.48Å
188	L	92.8	Very high	85.4	Confident	1 Å²	1	28.5 Å²	28.5	1%	0.005	17%	0.166	C	C	.	.	B	Isolated β-bridge	trans	-71.8	117.1	-178.3	-177.7	66.9	0	0	0	111.2	L207 S208 A263 L267 V291	L188-L207 HydrophobicContact CB-CD2 4.21Å; L188-L207 HydrophobicContact CD2-CD2 4.01Å; L188-L207 HydrophobicContact CG-CD2 4.38Å; L188-S208 WeakPolarHBondContact O-CB 3.46Å; L188-S208 PolarHBondContact O-N 3.33Å; L188-A263 HydrophobicContact CB-CB 4.11Å; L188-A263 HydrophobicContact CD2-CB 4.02Å; L188-A263 WeakPolarHBondContact CD2-O 3.46Å; L188-L267 HydrophobicContact CD2-CB 4.07Å; L188-L267 HydrophobicContact CD2-CD2 4.21Å; L188-V291 HydrophobicContact CB-CG2 4.1Å; L188-V291 HydrophobicContact CD1-CG2 3.53Å; L188-V291 HydrophobicContact CG-CG2 4.43Å
189	Q	92.3	Very high	84.8	Confident	4 Å²	4	33.1 Å²	33.1	2%	0.019	20%	0.199	C	C	.	.	B	Isolated β-bridge	trans	-95.2	151.5	179.8	-73.7	174	-5.6	0	0	111.3	A111 W116 W187 S191 S208 D210 L212 F290	A111-Q189 PolarHBondContact O-NE2 3.19Å; W116-Q189 VanDerWaalsContact CZ2-OE1 3.27Å; W187-Q189 PolarHBondContact O-N 3.12Å; Q189-S191 PolarHBondContact O-N 2.75Å; Q189-S208 VanDerWaalsContact CG-CB 3.4Å; Q189-S208 WeakPolarHBondContact CG-OG 3.4Å; Q189-D210 HydrophobicContact CG-CB 4.47Å; Q189-L212 HydrophobicContact CB-CD2 4Å; Q189-F290 HydrophobicContact CB-CB 4.35Å; Q189-F290 PolarHBondContact N-O 3.18Å
190	A	87.1	Confident	84.4	Confident	48 Å²	48	36.9 Å²	36.9	40%	0.397	21%	0.213	S	C	.	.	S	Bend	trans	48.7	33.4	177.2	0	0	0	0	0	114.9	L212 F290	A190-L212 HydrophobicContact CB-CD1 3.57Å; A190-L212 HydrophobicContact CB-CD2 4.37Å; A190-L212 HydrophobicContact CB-CG 3.63Å; A190-F290 HydrophobicContact CB-CD2 4.48Å
191	S	87.4	Confident	84.4	Confident	6 Å²	6	35 Å²	35	4%	0.042	20%	0.199	C	C	.	.			trans	-70.7	135.6	172.3	-177.4	0	0	0	0	109.8	Q189 A193 L194	Q189-S191 PolarHBondContact O-N 2.75Å; S191-A193 PolarHBondContact O-N 3.17Å; S191-A193 WeakPolarHBondContact OG-CB 3.32Å; S191-A193 PolarHBondContact OG-N 3.41Å; S191-L194 VanDerWaalsContact O-CB 3.23Å; S191-L194 WeakPolarHBondContact O-CB 3.33Å; S191-L194 PolarHBondContact O-N 2.8Å
192	P	83.7	Confident	84.4	Confident	38 Å²	38	35.4 Å²	35.4	25%	0.247	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-26.7	170.7	25.2	-33.5	0	0	0	112.1	L194 L267 C270 L271	P192-L194 PolarHBondContact O-N 2.96Å; P192-L267 HydrophobicContact CG-CD1 3.96Å; P192-C270 HydrophobicContact CB-CB 4.31Å; P192-C270 HydrophobicContact CG-CB 4.07Å; P192-L271 HydrophobicContact CG-CD2 4.25Å; P192-L271 HydrophobicContact CG-CG 4.41Å
193	A	84.4	Confident	84.1	Confident	0 Å²	0	35.6 Å²	35.6	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-63.5	-18.6	175.9	0	0	0	0	0	113.3	S191 K195 V196 S197 L207 N266	S191-A193 PolarHBondContact O-N 3.17Å; S191-A193 WeakPolarHBondContact OG-CB 3.32Å; S191-A193 PolarHBondContact OG-N 3.41Å; A193-K195 PolarHBondContact O-N 3.45Å; A193-V196 PolarHBondContact O-N 3.15Å; A193-V196 VanDerWaalsContact O-N 3.14Å; A193-S197 WeakPolarHBondContact O-CB 2.99Å; A193-S197 PolarHBondContact O-N 3.05Å; A193-S197 PolarHBondContact O-OG 3.38Å; A193-L207 HydrophobicContact CB-CD1 4.21Å; A193-N266 HydrophobicContact CB-CB 3.9Å
194	L	84.6	Confident	83.9	Confident	38 Å²	38	32.2 Å²	32.2	20%	0.199	19%	0.187	C	C	.	.	H	α-helix	trans	-59.9	-42	-176.8	-177.3	64.4	0	0	0	113.3	S191 P192 V196 S198 V202 L207	S191-L194 VanDerWaalsContact O-CB 3.23Å; S191-L194 WeakPolarHBondContact O-CB 3.33Å; S191-L194 PolarHBondContact O-N 2.8Å; P192-L194 PolarHBondContact O-N 2.96Å; L194-V196 VanDerWaalsContact C-N 3.31Å; L194-S198 PolarHBondContact O-N 3.41Å; L194-V202 HydrophobicContact CD1-CG1 3.53Å; L194-L207 HydrophobicContact CB-CD1 4.11Å; L194-L207 HydrophobicContact CD1-CB 4.08Å; L194-L207 HydrophobicContact CD1-CD1 4.09Å
195	K	78.3	Confident	83.7	Confident	83 Å²	83	31 Å²	31	36%	0.361	18%	0.18	S	C	.	.	H	α-helix	trans	-67.5	-39.3	178.1	-68.4	-172.7	177.2	-171.5	0	110.7	A193 S198 E220 V223	A193-K195 PolarHBondContact O-N 3.45Å; K195-S198 WeakPolarHBondContact O-CB 3.44Å; K195-S198 PolarHBondContact O-OG 3.33Å; K195-E220 PolarHBondContact NZ-O 3.12Å; K195-V223 HydrophobicContact CD-CG2 4.37Å
196	V	74.4	Confident	83.6	Confident	40 Å²	40	29.8 Å²	29.8	24%	0.242	18%	0.175	C	C	.	.	H	α-helix	trans	-78.6	-35	-171.1	-158.1	0	0	0	0	112.6	A193 L194 S198 S227 F229	A193-V196 PolarHBondContact O-N 3.15Å; A193-V196 VanDerWaalsContact O-N 3.14Å; L194-V196 VanDerWaalsContact C-N 3.31Å; V196-S198 VanDerWaalsContact C-N 3.33Å; V196-S227 WeakPolarHBondContact CG1-OG 3.36Å; V196-F229 HydrophobicContact CB-CD2 4.08Å; V196-F229 HydrophobicContact CB-CE2 4.12Å; V196-F229 HydrophobicContact CG1-CD2 3.5Å; V196-F229 VanDerWaalsContact CG1-CD2 3.5Å; V196-F229 HydrophobicContact CG1-CE2 3.96Å
197	S	74.4	Confident	83.7	Confident	2 Å²	2	29.9 Å²	29.9	1%	0.014	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.5	11.8	178	-49.4	0	0	0	0	113.1	A193 S199 Y200	A193-S197 WeakPolarHBondContact O-CB 2.99Å; A193-S197 PolarHBondContact O-N 3.05Å; A193-S197 PolarHBondContact O-OG 3.38Å; S197-S199 PolarHBondContact O-N 2.9Å; S197-Y200 PolarHBondContact O-N 3.1Å; S197-Y200 VanDerWaalsContact O-N 3.14Å
198	S	73.7	Confident	83.6	Confident	85 Å²	85	28.9 Å²	28.9	59%	0.594	17%	0.171	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-26.9	-172.2	58.6	0	0	0	0	113.9	L194 K195 V196	L194-S198 PolarHBondContact O-N 3.41Å; K195-S198 WeakPolarHBondContact O-CB 3.44Å; K195-S198 PolarHBondContact O-OG 3.33Å; V196-S198 VanDerWaalsContact C-N 3.33Å
199	S	75.9	Confident	83.4	Confident	98 Å²	98	29 Å²	29	69%	0.685	17%	0.172	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.5	-31.7	175.8	50.5	0	0	0	0	113.7	S197	S197-S199 PolarHBondContact O-N 2.9Å
200	Y	79.2	Confident	83.2	Confident	87 Å²	87	29.2 Å²	29.2	34%	0.341	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.6	-22.4	-177.4	-62.6	-88.5	0	0	0	113	S95 S197 L204 P240 I241	S95-Y200 VanDerWaalsContact CB-O 3.28Å; S95-Y200 WeakPolarHBondContact CB-O 3.44Å; S197-Y200 PolarHBondContact O-N 3.1Å; S197-Y200 VanDerWaalsContact O-N 3.14Å; Y200-L204 WeakPolarHBondContact O-CD1 3.38Å; Y200-P240 HydrophobicContact CD2-CB 4.47Å; Y200-P240 HydrophobicContact CD2-CG 3.46Å; Y200-P240 VanDerWaalsContact CD2-CG 3.46Å; Y200-P240 HydrophobicContact CE1-CG 4.32Å; Y200-P240 HydrophobicContact CE2-CG 3.17Å; Y200-P240 HydrophobicContact CG-CG 4.17Å; Y200-I241 HydrophobicContact CD1-CD1 3.47Å; Y200-I241 VanDerWaalsContact CD1-CD1 3.47Å; Y200-I241 HydrophobicContact CD1-CG1 3.74Å; Y200-I241 HydrophobicContact CD1-CG2 3.97Å; Y200-I241 HydrophobicContact CE1-CD1 3.79Å; Y200-I241 HydrophobicContact CE1-CG1 3.88Å; Y200-I241 HydrophobicContact CG-CD1 4.48Å; Y200-I241 HydrophobicContact CG-CG1 4.5Å; Y200-I241 HydrophobicContact CG-CG2 3.93Å
201	G	83.3	Confident	83.1	Confident	6 Å²	6	30.7 Å²	30.7	6%	0.062	18%	0.179	C	C	.	.			trans	90.3	146.1	-174.6	0	0	0	0	0	113.1	K93 D203 L204 A205	K93-G201 WeakPolarHBondContact O-CA 3.36Å; G201-D203 PolarHBondContact O-N 3Å; G201-L204 PolarHBondContact O-N 3.13Å; G201-A205 PolarHBondContact O-N 2.85Å
202	V	87.1	Confident	83.2	Confident	7 Å²	7	31.1 Å²	31.1	4%	0.042	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-26.7	-171.8	-60.1	0	0	0	0	114	W90 K93 L194 G206 L207 P209	W90-V202 HydrophobicContact CE3-CG2 4.24Å; W90-V202 HydrophobicContact CZ3-CG2 4.28Å; K93-V202 HydrophobicContact CB-CG1 4.1Å; K93-V202 HydrophobicContact CB-CG2 4.3Å; K93-V202 PolarHBondContact O-N 3.22Å; K93-V202 VanDerWaalsContact O-N 3.09Å; L194-V202 HydrophobicContact CD1-CG1 3.53Å; V202-G206 PolarHBondContact O-N 3.35Å; V202-G206 VanDerWaalsContact O-N 3.11Å; V202-L207 HydrophobicContact CB-CB 4.35Å; V202-L207 WeakPolarHBondContact CB-O 3.44Å; V202-L207 PolarHBondContact O-N 3.06Å; V202-P209 HydrophobicContact CG1-CB 4.37Å; V202-P209 HydrophobicContact CG2-CG 4.32Å
203	D	84.7	Confident	83.4	Confident	7 Å²	7	31.2 Å²	31.2	4%	0.037	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-41.1	178.8	52.6	-50.2	0	0	0	113.2	S94 S95 G98 I102 G201	S94-D203 WeakPolarHBondContact CA-OD1 3.46Å; S94-D203 WeakPolarHBondContact CB-OD1 3.24Å; S95-D203 WeakPolarHBondContact CB-OD2 3.49Å; S95-D203 PolarHBondContact N-OD1 3.33Å; S95-D203 PolarHBondContact OG-OD2 2.92Å; G98-D203 WeakPolarHBondContact CA-OD2 3.37Å; G98-D203 PolarHBondContact N-OD2 2.87Å; I102-D203 HydrophobicContact CD1-CB 3.27Å; G201-D203 PolarHBondContact O-N 3Å
204	L	84.1	Confident	83.4	Confident	52 Å²	52	33.2 Å²	33.2	27%	0.272	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.6	-35	178.2	-60.3	-176.4	0	0	0	111.2	Y200 G201 G206 I241	Y200-L204 WeakPolarHBondContact O-CD1 3.38Å; G201-L204 PolarHBondContact O-N 3.13Å; L204-G206 VanDerWaalsContact C-N 3.32Å; L204-G206 PolarHBondContact O-N 3.4Å; L204-I241 HydrophobicContact CB-CG2 3.79Å
205	A	83.8	Confident	83.2	Confident	0 Å²	0	33.5 Å²	33.5	0%	0	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81	-5.3	179.4	0	0	0	0	0	114.5	G201 L207 A263	G201-A205 PolarHBondContact O-N 2.85Å; A205-L207 VanDerWaalsContact C-N 3.3Å; A205-L207 HydrophobicContact CB-CD1 4.01Å; A205-L207 HydrophobicContact CB-CG 3.99Å; A205-L207 PolarHBondContact O-N 2.82Å; A205-A263 WeakPolarHBondContact O-CA 3.24Å; A205-A263 WeakPolarHBondContact O-CB 3.35Å; A205-A263 PolarHBondContact O-N 2.94Å
206	G	85.6	Confident	82.7	Confident	1 Å²	1	33.7 Å²	33.7	1%	0.01	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	72	19.8	-177.7	0	0	0	0	0	115.2	W187 V202 L204 T259 A263	W187-G206 VanDerWaalsContact CE3-C 3.48Å; V202-G206 PolarHBondContact O-N 3.35Å; V202-G206 VanDerWaalsContact O-N 3.11Å; L204-G206 VanDerWaalsContact C-N 3.32Å; L204-G206 PolarHBondContact O-N 3.4Å; G206-T259 WeakPolarHBondContact CA-O 3.33Å; G206-A263 VanDerWaalsContact O-CB 3.27Å; G206-A263 WeakPolarHBondContact O-CB 3.4Å
207	L	89.9	Confident	81.9	Confident	3 Å²	3	38.3 Å²	38.3	2%	0.016	24%	0.238	C	C	.	.	B	Isolated β-bridge	trans	-100.1	156.6	-174.2	-59.8	178.7	0	0	0	111.8	L188 A193 L194 V202 A205 A263	L188-L207 HydrophobicContact CB-CD2 4.21Å; L188-L207 HydrophobicContact CD2-CD2 4.01Å; L188-L207 HydrophobicContact CG-CD2 4.38Å; A193-L207 HydrophobicContact CB-CD1 4.21Å; L194-L207 HydrophobicContact CB-CD1 4.11Å; L194-L207 HydrophobicContact CD1-CB 4.08Å; L194-L207 HydrophobicContact CD1-CD1 4.09Å; V202-L207 HydrophobicContact CB-CB 4.35Å; V202-L207 WeakPolarHBondContact CB-O 3.44Å; V202-L207 PolarHBondContact O-N 3.06Å; A205-L207 VanDerWaalsContact C-N 3.3Å; A205-L207 HydrophobicContact CB-CD1 4.01Å; A205-L207 HydrophobicContact CB-CG 3.99Å; A205-L207 PolarHBondContact O-N 2.82Å; L207-A263 HydrophobicContact CD2-CB 3.91Å
208	S	90.1	Very high	80.6	Confident	1 Å²	1	46.1 Å²	46.1	1%	0.007	28%	0.275	C	S	.	.			trans	-97.7	133.8	169.1	-174.3	0	0	0	0	109.5	L188 Q189 D210	L188-S208 WeakPolarHBondContact O-CB 3.46Å; L188-S208 PolarHBondContact O-N 3.33Å; Q189-S208 VanDerWaalsContact CG-CB 3.4Å; Q189-S208 WeakPolarHBondContact CG-OG 3.4Å; S208-D210 PolarHBondContact O-N 2.81Å; S208-D210 WeakPolarHBondContact OG-CB 3.28Å; S208-D210 PolarHBondContact OG-N 3.1Å; S208-D210 PolarHBondContact OG-OD2 3.45Å
209	P	86.7	Confident	79.4	Confident	4 Å²	4	47.2 Å²	47.2	3%	0.026	27%	0.274	C	S	.	.			trans	-75	-11.2	168.9	33.1	-33.4	0	0	0	113	W90 K93 V202	W90-P209 VanDerWaalsContact CD1-CG 3.5Å; W90-P209 HydrophobicContact CD2-CG 3.6Å; W90-P209 VanDerWaalsContact CE2-CG 3.44Å; W90-P209 HydrophobicContact CE3-CG 4.25Å; W90-P209 HydrophobicContact CG-CG 3.72Å; W90-P209 HydrophobicContact CZ2-CG 4.07Å; W90-P209 VanDerWaalsContact NE1-CG 3.26Å; K93-P209 HydrophobicContact CB-CB 4.05Å; K93-P209 HydrophobicContact CD-CB 3.2Å; K93-P209 HydrophobicContact CD-CG 4.44Å; K93-P209 HydrophobicContact CG-CB 4.25Å; K93-P209 PolarHBondContact NZ-O 3.05Å; K93-P209 VanDerWaalsContact NZ-O 3.08Å; V202-P209 HydrophobicContact CG1-CB 4.37Å; V202-P209 HydrophobicContact CG2-CG 4.32Å
210	D	88	Confident	78.1	Confident	7 Å²	7	48.5 Å²	48.5	4%	0.037	27%	0.269	C	S	.	.	P	Polyproline II helix	trans	-72.8	131.4	-171.6	-56.9	-33.9	0	0	0	110.1	W86 W90 Q112 Q189 S208	W86-D210 PolarHBondContact NE1-OD1 3.09Å; W86-D210 PolarHBondContact NE1-OD2 3.26Å; W86-D210 VanDerWaalsContact NE1-OD2 3.11Å; W90-D210 PolarHBondContact NE1-OD1 2.96Å; W90-D210 PolarHBondContact NE1-OD2 3.5Å; Q112-D210 PolarHBondContact NE2-OD2 3.26Å; Q189-D210 HydrophobicContact CG-CB 4.47Å; S208-D210 PolarHBondContact O-N 2.81Å; S208-D210 WeakPolarHBondContact OG-CB 3.28Å; S208-D210 PolarHBondContact OG-N 3.1Å; S208-D210 PolarHBondContact OG-OD2 3.45Å
211	P	86.4	Confident	76.5	Confident	80 Å²	80	52.7 Å²	52.7	52%	0.519	29%	0.289	S	S	.	.	P	Polyproline II helix	trans	-70.3	157.8	174.1	29.3	-34.1	0	0	0	111.3
212	L	89.5	Confident	74.7	Confident	15 Å²	15	57.3 Å²	57.3	8%	0.079	33%	0.327	C	S	.	.	P	Polyproline II helix	trans	-68.2	142	174.2	-71.6	174.7	0	0	0	110.6	W116 Q189 A190 G214 S215 F290	W116-L212 HydrophobicContact CH2-CD2 3.93Å; W116-L212 HydrophobicContact CZ2-CD2 4.22Å; Q189-L212 HydrophobicContact CB-CD2 4Å; A190-L212 HydrophobicContact CB-CD1 3.57Å; A190-L212 HydrophobicContact CB-CD2 4.37Å; A190-L212 HydrophobicContact CB-CG 3.63Å; L212-G214 PolarHBondContact O-N 3.34Å; L212-G214 VanDerWaalsContact O-N 3.07Å; L212-S215 PolarHBondContact O-N 3.41Å; L212-S215 PolarHBondContact O-OG 3.35Å; L212-F290 HydrophobicContact CD1-CD1 4.11Å; L212-F290 HydrophobicContact CD1-CD2 3.92Å; L212-F290 HydrophobicContact CD1-CE1 4.22Å; L212-F290 HydrophobicContact CD1-CE2 4.03Å; L212-F290 HydrophobicContact CD1-CG 3.96Å; L212-F290 HydrophobicContact CD1-CZ 4.19Å; L212-F290 HydrophobicContact CD2-CB 3.72Å; L212-F290 HydrophobicContact CD2-CD1 4.02Å; L212-F290 HydrophobicContact CD2-CG 3.84Å
213	P	87.4	Confident	72.9	Confident	39 Å²	39	60.1 Å²	60.1	25%	0.253	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.3	119.4	177.4	-26	34.9	0	0	0	112	T134 V135 G136	T134-P213 CarbonylContact C-O 3.59Å; T134-P213 WeakPolarHBondContact CA-O 3.37Å; T134-P213 WeakPolarHBondContact CB-O 3.48Å; V135-P213 PolarHBondContact N-O 3.25Å; G136-P213 WeakPolarHBondContact CA-O 3.38Å; G136-P213 PolarHBondContact N-O 2.99Å
214	G	84.1	Confident	71.3	Confident	43 Å²	43	63.4 Å²	63.4	44%	0.443	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.9	9.5	179.3	0	0	0	0	0	115.7	L212	L212-G214 PolarHBondContact O-N 3.34Å; L212-G214 VanDerWaalsContact O-N 3.07Å
215	S	81.4	Confident	69.8	Low	43 Å²	43	66.4 Å²	66.4	30%	0.301	39%	0.393	S	S	.	.			trans	-71.4	139.5	164.9	59.5	0	0	0	0	110.3	L212	L212-S215 PolarHBondContact O-N 3.41Å; L212-S215 PolarHBondContact O-OG 3.35Å
216	T	67.5	Low	68.6	Low	87 Å²	87	71.5 Å²	71.5	53%	0.534	42%	0.42	S	S	.	.			trans	-95.3	140.9	168.5	44.1	0	0	0	0	109	E218 D219	T216-E218 PolarHBondContact O-N 3.17Å; T216-D219 PolarHBondContact O-N 3.04Å; T216-D219 VanDerWaalsContact O-N 3.15Å
217	D	57.4	Low	67.7	Low	137 Å²	137	72 Å²	72	73%	0.733	42%	0.423	S	S	*	.	G	3₁₀ helix	trans	-54.2	-21.4	179.5	-73.4	-22.5	0	0	0	113.1	D219 E220	D217-D219 PolarHBondContact O-N 3.46Å; D217-E220 PolarHBondContact O-N 3.11Å; D217-E220 VanDerWaalsContact O-N 3.13Å
218	E	47.8	Very low	66.5	Low	167 Å²	167	72.5 Å²	72.5	78%	0.78	43%	0.427	S	S	*	.	G	3₁₀ helix	trans	-62.3	-20	178.7	-60.8	-155.2	168.9	0	0	115.1	T216 E220	T216-E218 PolarHBondContact O-N 3.17Å; E218-E220 PolarHBondContact O-N 2.92Å
219	D	47.6	Very low	65.5	Low	107 Å²	107	73.4 Å²	73.4	57%	0.572	43%	0.431	S	S	*	.	G	3₁₀ helix	trans	-76.4	-10.2	177.3	-71.9	-35.2	0	0	0	112.6	T216 D217 K221	T216-D219 PolarHBondContact O-N 3.04Å; T216-D219 VanDerWaalsContact O-N 3.15Å; D217-D219 PolarHBondContact O-N 3.46Å; D219-K221 PolarHBondContact O-N 3.21Å; D219-K221 VanDerWaalsContact O-N 3.08Å
220	E	48.6	Very low	64	Low	125 Å²	125	76.5 Å²	76.5	58%	0.584	45%	0.452	S	S	*	.			trans	-81.5	32.8	178.3	-69.2	-158.5	161.4	0	0	114.1	K195 D217 E218 A222	K195-E220 PolarHBondContact NZ-O 3.12Å; D217-E220 PolarHBondContact O-N 3.11Å; D217-E220 VanDerWaalsContact O-N 3.13Å; E218-E220 PolarHBondContact O-N 2.92Å; E220-A222 PolarHBondContact O-N 3.46Å
221	K	45.1	Very low	62	Low	175 Å²	175	79 Å²	79	76%	0.761	47%	0.468	S	S	*	.			trans	-44.5	135.4	173.2	-76.6	-175	177.7	179.7	0	111	D219 V223	D219-K221 PolarHBondContact O-N 3.21Å; D219-K221 VanDerWaalsContact O-N 3.08Å; K221-V223 PolarHBondContact O-N 3.37Å
222	A	45.8	Very low	59.9	Low	103 Å²	103	78.1 Å²	78.1	85%	0.851	46%	0.456	S	S	*	.			trans	-46.7	105.6	-178.5	0	0	0	0	0	109.8	E220	E220-A222 PolarHBondContact O-N 3.46Å
223	V	49.6	Very low	57.5	Low	66 Å²	66	86.5 Å²	86.5	40%	0.4	49%	0.494	S	S	.	.			trans	-72.6	136.4	170.3	178.8	0	0	0	0	105.1	K195 K221	K195-V223 HydrophobicContact CD-CG2 4.37Å; K221-V223 PolarHBondContact O-N 3.37Å
224	S	51.5	Low	55.2	Low	77 Å²	77	93.6 Å²	93.6	54%	0.538	52%	0.524	S	S	.	.			trans	-51.9	145.7	176.2	60.1	0	0	0	0	109.7	D226	S224-D226 VanDerWaalsContact CB-OD2 3.32Å; S224-D226 WeakPolarHBondContact CB-OD2 3.24Å; S224-D226 PolarHBondContact O-N 2.97Å; S224-D226 PolarHBondContact OG-OD2 3.13Å
225	S	52.2	Low	53.1	Low	115 Å²	115	98.3 Å²	98.3	80%	0.804	54%	0.539	S	S	*	.	S	Bend	trans	-62.5	3.4	180	-74.3	0	0	0	0	114.1	S227	S225-S227 PolarHBondContact O-N 3.05Å
226	D	58.3	Low	51.5	Low	107 Å²	107	97.8 Å²	97.8	57%	0.572	54%	0.54	S	S	*	.			trans	-70.8	95.8	-179.1	-49.8	-45	0	0	0	108.4	S224 F273	S224-D226 VanDerWaalsContact CB-OD2 3.32Å; S224-D226 WeakPolarHBondContact CB-OD2 3.24Å; S224-D226 PolarHBondContact O-N 2.97Å; S224-D226 PolarHBondContact OG-OD2 3.13Å; D226-F273 VanDerWaalsContact C-CE1 3.47Å; D226-F273 HydrophobicContact CB-CD1 4.49Å; D226-F273 HydrophobicContact CB-CE1 3.67Å; D226-F273 HydrophobicContact CB-CZ 4.48Å; D226-F273 WeakPolarHBondContact O-CD1 3.45Å; D226-F273 WeakPolarHBondContact O-CE1 3.48Å
227	S	66	Low	51	Low	10 Å²	10	95.9 Å²	95.9	7%	0.07	53%	0.533	C	S	.	.			trans	-98.8	130.5	177.3	165.4	0	0	0	0	109.1	V196 S225 F229 S230 V231	V196-S227 WeakPolarHBondContact CG1-OG 3.36Å; S225-S227 PolarHBondContact O-N 3.05Å; S227-F229 PolarHBondContact O-N 3.34Å; S227-F229 WeakPolarHBondContact OG-CA 3.1Å; S227-F229 WeakPolarHBondContact OG-CB 3.3Å; S227-F229 PolarHBondContact OG-N 3.09Å; S227-S230 WeakPolarHBondContact CB-OG 3.09Å; S227-S230 PolarHBondContact O-N 3.31Å; S227-S230 VanDerWaalsContact O-N 3.13Å; S227-S230 PolarHBondContact OG-N 2.96Å; S227-S230 VanDerWaalsContact OG-N 3.1Å; S227-V231 WeakPolarHBondContact O-CG2 3.48Å; S227-V231 PolarHBondContact O-N 3.16Å
228	P	64.6	Low	51.5	Low	14 Å²	14	90.3 Å²	90.3	9%	0.091	50%	0.503	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-14.3	169.2	27.3	-34.2	0	0	0	112.6	F273	P228-F273 HydrophobicContact CB-CB 4.07Å; P228-F273 HydrophobicContact CB-CD1 4.29Å; P228-F273 HydrophobicContact CB-CD2 4.06Å; P228-F273 HydrophobicContact CB-CG 3.87Å; P228-F273 HydrophobicContact CG-CB 4.3Å; P228-F273 HydrophobicContact CG-CG 4.38Å
229	F	69.4	Low	52.9	Low	21 Å²	21	83.6 Å²	83.6	9%	0.092	47%	0.474	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.1	-13.5	-179.2	-43	-56.6	0	0	0	113.6	V196 S227 F238 P240 N266 L269	V196-F229 HydrophobicContact CB-CD2 4.08Å; V196-F229 HydrophobicContact CB-CE2 4.12Å; V196-F229 HydrophobicContact CG1-CD2 3.5Å; V196-F229 VanDerWaalsContact CG1-CD2 3.5Å; V196-F229 HydrophobicContact CG1-CE2 3.96Å; S227-F229 PolarHBondContact O-N 3.34Å; S227-F229 WeakPolarHBondContact OG-CA 3.1Å; S227-F229 WeakPolarHBondContact OG-CB 3.3Å; S227-F229 PolarHBondContact OG-N 3.09Å; F229-F238 HydrophobicContact CD1-CB 4.44Å; F229-F238 WeakPolarHBondContact CD1-O 3.23Å; F229-P240 HydrophobicContact CB-CG 4.44Å; F229-P240 HydrophobicContact CD1-CB 4.11Å; F229-P240 HydrophobicContact CD2-CB 4Å; F229-P240 HydrophobicContact CD2-CG 4.41Å; F229-P240 HydrophobicContact CE1-CB 4.16Å; F229-P240 HydrophobicContact CE2-CB 4.08Å; F229-P240 HydrophobicContact CG-CB 4.05Å; F229-P240 HydrophobicContact CG-CG 4.21Å; F229-P240 HydrophobicContact CZ-CB 4.17Å; F229-N266 WeakPolarHBondContact CE1-OD1 3.38Å; F229-N266 HydrophobicContact CZ-CB 3.81Å; F229-N266 WeakPolarHBondContact CZ-OD1 3.15Å; F229-L269 HydrophobicContact CE1-CD1 4.49Å
230	S	56.5	Low	54.5	Low	68 Å²	68	78.6 Å²	78.6	48%	0.476	45%	0.447	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.5	-5.7	-179.3	79.9	0	0	0	0	114.1	S227 F232	S227-S230 WeakPolarHBondContact CB-OG 3.09Å; S227-S230 PolarHBondContact O-N 3.31Å; S227-S230 VanDerWaalsContact O-N 3.13Å; S227-S230 PolarHBondContact OG-N 2.96Å; S227-S230 VanDerWaalsContact OG-N 3.1Å; S230-F232 PolarHBondContact O-N 3.04Å
231	V	45.2	Very low	56.1	Low	61 Å²	61	74.5 Å²	74.5	37%	0.37	43%	0.429	S	S	.	.	S	Bend	trans	-60.6	-16.1	179.5	170.4	0	0	0	0	112.1	S227 F273	S227-V231 WeakPolarHBondContact O-CG2 3.48Å; S227-V231 PolarHBondContact O-N 3.16Å; V231-F273 HydrophobicContact CG2-CE1 4.41Å; V231-F273 HydrophobicContact CG2-CE2 4.01Å; V231-F273 HydrophobicContact CG2-CZ 3.49Å; V231-F273 VanDerWaalsContact CG2-CZ 3.49Å
232	F	42.4	Very low	57.8	Low	60 Å²	60	69.7 Å²	69.7	26%	0.263	41%	0.412	S	S	.	.	S	Bend	trans	-127.4	90.3	-178.2	-42.8	-94.2	0	0	0	108.1	S230 E234 D235 A237 I529	S230-F232 PolarHBondContact O-N 3.04Å; F232-E234 PolarHBondContact O-N 3.39Å; F232-E234 VanDerWaalsContact O-N 3.09Å; F232-D235 WeakPolarHBondContact CB-O 3.48Å; F232-D235 WeakPolarHBondContact CG-O 2.89Å; F232-D235 PolarHBondContact O-N 3.28Å; F232-A237 HydrophobicContact CD2-CB 4.33Å; F232-A237 VanDerWaalsContact CD2-N 3.3Å; F232-A237 HydrophobicContact CE2-CB 3.62Å; F232-A237 HydrophobicContact CZ-CB 3.82Å; F232-I529 HydrophobicContact CE1-CD1 4.19Å
233	E	38.2	Very low	59.4	Low	191 Å²	191	66.1 Å²	66.1	89%	0.893	38%	0.378	S	S	*	.	S	Bend	trans	-58.4	113.9	163.9	-72.4	-179.8	155.5	0	0	106.9
234	E	39.1	Very low	60.4	Low	189 Å²	189	66.2 Å²	66.2	88%	0.883	37%	0.374	S	S	*	.	S	Bend	trans	88.8	-27.4	-176.7	-54	-162.9	165.4	0	0	119.4	F232	F232-E234 PolarHBondContact O-N 3.39Å; F232-E234 VanDerWaalsContact O-N 3.09Å
235	D	40.3	Very low	61.2	Low	142 Å²	142	65 Å²	65	76%	0.759	37%	0.369	S	S	*	.			trans	-145.3	70.6	176.9	-79.3	-46.6	0	0	0	113.9	F232 A237	F232-D235 WeakPolarHBondContact CB-O 3.48Å; F232-D235 WeakPolarHBondContact CG-O 2.89Å; F232-D235 PolarHBondContact O-N 3.28Å; D235-A237 PolarHBondContact O-N 2.74Å
236	G	48.2	Very low	62.1	Low	31 Å²	31	62.2 Å²	62.2	32%	0.32	34%	0.341	S	S	.	.			trans	-47.3	125.2	171.3	0	0	0	0	0	112.5	F238	G236-F238 PolarHBondContact O-N 3.33Å
237	A	58.2	Low	63.1	Low	47 Å²	47	57.1 Å²	57.1	39%	0.388	31%	0.314	S	S	.	.	S	Bend	trans	-52.3	-28.8	170.8	0	0	0	0	0	111.9	F232 D235 H244	F232-A237 HydrophobicContact CD2-CB 4.33Å; F232-A237 VanDerWaalsContact CD2-N 3.3Å; F232-A237 HydrophobicContact CE2-CB 3.62Å; F232-A237 HydrophobicContact CZ-CB 3.82Å; D235-A237 PolarHBondContact O-N 2.74Å; A237-H244 PolarHBondContact O-CE1 3.21Å; A237-H244 PolarHBondContact O-NE2 2.66Å
238	F	67.6	Low	63.6	Low	21 Å²	21	62.1 Å²	62.1	9%	0.092	33%	0.331	C	S	.	.	S	Bend	trans	-134	127.4	169.5	-66.3	-87.4	0	0	0	110.6	F229 G236 H244 W246 L269 L316	F229-F238 HydrophobicContact CD1-CB 4.44Å; F229-F238 WeakPolarHBondContact CD1-O 3.23Å; G236-F238 PolarHBondContact O-N 3.33Å; F238-H244 AromaticContact CD1-CD2 3.76Å; F238-H244 AromaticContact CD1-NE2 3.78Å; F238-H244 AromaticContact CE1-CD2 3.67Å; F238-H244 AromaticContact CE1-NE2 3.92Å; F238-W246 HydrophobicContact CE1-CZ2 4.09Å; F238-W246 HydrophobicContact CZ-CZ2 4.36Å; F238-L269 HydrophobicContact CB-CD1 3.98Å; F238-L269 HydrophobicContact CD1-CD1 3.93Å; F238-L269 HydrophobicContact CD2-CD1 3.99Å; F238-L269 HydrophobicContact CD2-CD2 4.49Å; F238-L269 HydrophobicContact CE1-CD1 4.49Å; F238-L269 HydrophobicContact CE2-CD2 4.45Å; F238-L269 HydrophobicContact CG-CD1 3.66Å; F238-L316 HydrophobicContact CE1-CD1 4.4Å; F238-L316 HydrophobicContact CE2-CD2 3.99Å; F238-L316 HydrophobicContact CZ-CD1 3.65Å; F238-L316 HydrophobicContact CZ-CD2 3.74Å; F238-L316 HydrophobicContact CZ-CG 4.18Å
239	S	77	Confident	63.9	Low	26 Å²	26	69.7 Å²	69.7	18%	0.182	36%	0.362	C	S	.	.			trans	-78.4	138.2	161.2	168.7	0	0	0	0	109.5	I241 D242 R265	S239-I241 PolarHBondContact O-N 3.5Å; S239-I241 PolarHBondContact OG-N 2.96Å; S239-D242 WeakPolarHBondContact CB-OD2 3.49Å; S239-D242 VanDerWaalsContact OG-CG 3.23Å; S239-D242 PolarHBondContact OG-N 3.46Å; S239-D242 PolarHBondContact OG-OD2 3.25Å; S239-R265 PolarHBondContact O-NH1 2.84Å
240	P	80.6	Confident	63.9	Low	1 Å²	1	69.9 Å²	69.9	1%	0.006	37%	0.367	C	S	.	.	S	Bend	trans	-68	-15	176.4	27.6	-32.5	0	0	0	112.9	Y200 F229 N266	Y200-P240 HydrophobicContact CD2-CB 4.47Å; Y200-P240 HydrophobicContact CD2-CG 3.46Å; Y200-P240 VanDerWaalsContact CD2-CG 3.46Å; Y200-P240 HydrophobicContact CE1-CG 4.32Å; Y200-P240 HydrophobicContact CE2-CG 3.17Å; Y200-P240 HydrophobicContact CG-CG 4.17Å; F229-P240 HydrophobicContact CB-CG 4.44Å; F229-P240 HydrophobicContact CD1-CB 4.11Å; F229-P240 HydrophobicContact CD2-CB 4Å; F229-P240 HydrophobicContact CD2-CG 4.41Å; F229-P240 HydrophobicContact CE1-CB 4.16Å; F229-P240 HydrophobicContact CE2-CB 4.08Å; F229-P240 HydrophobicContact CG-CB 4.05Å; F229-P240 HydrophobicContact CG-CG 4.21Å; F229-P240 HydrophobicContact CZ-CB 4.17Å; P240-N266 PolarHBondContact O-ND2 3Å
241	I	82.7	Confident	65.1	Low	40 Å²	40	67.3 Å²	67.3	21%	0.205	35%	0.347	C	S	.	.	S	Bend	trans	-120.9	-13.7	-176.9	58.9	159.7	0	0	0	114.5	Y200 L204 S239 L262	Y200-I241 HydrophobicContact CD1-CD1 3.47Å; Y200-I241 VanDerWaalsContact CD1-CD1 3.47Å; Y200-I241 HydrophobicContact CD1-CG1 3.74Å; Y200-I241 HydrophobicContact CD1-CG2 3.97Å; Y200-I241 HydrophobicContact CE1-CD1 3.79Å; Y200-I241 HydrophobicContact CE1-CG1 3.88Å; Y200-I241 HydrophobicContact CG-CD1 4.48Å; Y200-I241 HydrophobicContact CG-CG1 4.5Å; Y200-I241 HydrophobicContact CG-CG2 3.93Å; L204-I241 HydrophobicContact CB-CG2 3.79Å; S239-I241 PolarHBondContact O-N 3.5Å; S239-I241 PolarHBondContact OG-N 2.96Å; I241-L262 WeakPolarHBondContact O-CD1 3.46Å
242	D	80	Confident	66.3	Low	74 Å²	74	67.4 Å²	67.4	40%	0.396	35%	0.35	S	S	.	.			trans	-104.7	149.6	180	-47.2	-51.6	0	0	0	111.4	S239 R265	S239-D242 WeakPolarHBondContact CB-OD2 3.49Å; S239-D242 VanDerWaalsContact OG-CG 3.23Å; S239-D242 PolarHBondContact OG-N 3.46Å; S239-D242 PolarHBondContact OG-OD2 3.25Å; D242-R265 PolarHBondContact O-NH2 3.22Å
243	L	79	Confident	67.5	Low	28 Å²	28	67 Å²	67	15%	0.147	35%	0.35	C	S	.	.			trans	-108.8	137.5	-179.7	-66.6	168.2	0	0	0	110.2	E247 R248 M254 P258 Y261 L262	L243-E247 WeakPolarHBondContact CA-OE2 3.38Å; L243-R248 HydrophobicContact CB-CG 4.34Å; L243-R248 VanDerWaalsContact O-CZ 3.26Å; L243-R248 PolarHBondContact O-NH1 3.27Å; L243-R248 PolarHBondContact O-NH2 2.78Å; L243-M254 HydrophobicContact CD1-SD 4.33Å; L243-M254 HydrophobicContact CD2-CE 4.12Å; L243-M254 HydrophobicContact CD2-SD 4.38Å; L243-P258 HydrophobicContact CD1-CB 4.33Å; L243-Y261 HydrophobicContact CD2-CD1 3.5Å; L243-Y261 VanDerWaalsContact CD2-CD1 3.5Å; L243-Y261 HydrophobicContact CD2-CE1 3.52Å; L243-L262 HydrophobicContact CD2-CD2 3.54Å; L243-L262 HydrophobicContact CD2-CG 4.04Å; L243-L262 HydrophobicContact CG-CD2 4.06Å; L243-L262 HydrophobicContact CG-CG 4.46Å
244	H	72.3	Confident	68.9	Low	67 Å²	67	58.2 Å²	58.2	31%	0.31	31%	0.308	S	S	.	.			trans	-72.8	156.1	171.5	-70.2	-69.1	0	0	0	112.1	A237 F238 W246 E247 R248	A237-H244 PolarHBondContact O-CE1 3.21Å; A237-H244 PolarHBondContact O-NE2 2.66Å; F238-H244 AromaticContact CD1-CD2 3.76Å; F238-H244 AromaticContact CD1-NE2 3.78Å; F238-H244 AromaticContact CE1-CD2 3.67Å; F238-H244 AromaticContact CE1-NE2 3.92Å; H244-W246 VanDerWaalsContact C-N 3.34Å; H244-W246 HydrophobicContact CB-CG 4.29Å; H244-W246 VanDerWaalsContact CB-NE1 3.3Å; H244-W246 AromaticContact CG-NE1 3.69Å; H244-W246 PolarHBondContact O-N 3.33Å; H244-E247 HydrophobicContact CB-CB 4.29Å; H244-E247 HydrophobicContact CB-CG 4.09Å; H244-E247 IonicContact CD2-OE2 3.63Å; H244-E247 PolarHBondContact N-OE2 3.29Å; H244-E247 WeakPolarHBondContact O-CB 3.47Å; H244-E247 PolarHBondContact O-N 3.33Å; H244-R248 PolarHBondContact O-N 3.47Å
245	A	67.9	Low	70	Confident	51 Å²	51	54.5 Å²	54.5	42%	0.421	30%	0.303	S	S	.	.	H	α-helix	trans	-59.9	-43.8	178	0	0	0	0	0	112.3	E247 R248 F249	A245-E247 VanDerWaalsContact C-N 3.29Å; A245-E247 PolarHBondContact O-N 3.37Å; A245-R248 WeakPolarHBondContact O-CB 3.28Å; A245-R248 PolarHBondContact O-N 2.93Å; A245-F249 PolarHBondContact O-N 3.06Å; A245-F249 VanDerWaalsContact O-N 3.13Å
246	W	70.8	Confident	71.6	Confident	58 Å²	58	53.8 Å²	53.8	22%	0.22	29%	0.29	C	S	.	.	H	α-helix	trans	-66	-30.6	177.1	69.1	-98.3	0	0	0	112.8	F238 H244 F249 S250 F251 E310 F311 R314 L316	F238-W246 HydrophobicContact CE1-CZ2 4.09Å; F238-W246 HydrophobicContact CZ-CZ2 4.36Å; H244-W246 VanDerWaalsContact C-N 3.34Å; H244-W246 HydrophobicContact CB-CG 4.29Å; H244-W246 VanDerWaalsContact CB-NE1 3.3Å; H244-W246 AromaticContact CG-NE1 3.69Å; H244-W246 PolarHBondContact O-N 3.33Å; W246-F249 PolarHBondContact O-N 3.47Å; W246-S250 WeakPolarHBondContact O-CB 3.36Å; W246-S250 PolarHBondContact O-N 2.83Å; W246-S250 PolarHBondContact O-OG 3.08Å; W246-F251 HydrophobicContact CZ3-CE2 4.27Å; W246-E310 HydrophobicContact CZ3-CG 4.04Å; W246-F311 AromaticContact CH2-CD1 3.91Å; W246-F311 HydrophobicContact CH2-CD1 3.91Å; W246-F311 AromaticContact CH2-CE1 3.43Å; W246-F311 HydrophobicContact CH2-CE1 3.43Å; W246-F311 VanDerWaalsContact CH2-CE1 3.43Å; W246-F311 HydrophobicContact CH2-CZ 4.04Å; W246-F311 HydrophobicContact CZ3-CD1 4.34Å; W246-F311 AromaticContact CZ3-CE1 3.95Å; W246-F311 HydrophobicContact CZ3-CE1 3.95Å; W246-R314 VanDerWaalsContact CE3-CZ 3.42Å; W246-R314 VanDerWaalsContact CZ3-CD 3.48Å; W246-L316 HydrophobicContact CH2-CD1 3.55Å; W246-L316 HydrophobicContact CZ2-CD1 3.61Å
247	E	78.5	Confident	73.3	Confident	0 Å²	0	53.3 Å²	53.3	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-61.8	-48.3	173.5	-81.4	-171.4	111.2	0	0	108.9	L243 H244 A245 F249 S250 F251 M254 Y261 R265	L243-E247 WeakPolarHBondContact CA-OE2 3.38Å; H244-E247 HydrophobicContact CB-CB 4.29Å; H244-E247 HydrophobicContact CB-CG 4.09Å; H244-E247 IonicContact CD2-OE2 3.63Å; H244-E247 PolarHBondContact N-OE2 3.29Å; H244-E247 WeakPolarHBondContact O-CB 3.47Å; H244-E247 PolarHBondContact O-N 3.33Å; A245-E247 VanDerWaalsContact C-N 3.29Å; A245-E247 PolarHBondContact O-N 3.37Å; E247-F249 VanDerWaalsContact C-N 3.26Å; E247-F249 PolarHBondContact O-N 3Å; E247-S250 PolarHBondContact O-N 2.82Å; E247-F251 WeakPolarHBondContact O-CD2 3.38Å; E247-F251 PolarHBondContact O-N 3.27Å; E247-M254 HydrophobicContact CB-CE 3.59Å; E247-M254 HydrophobicContact CB-SD 4.46Å; E247-M254 HydrophobicContact CG-CE 4.37Å; E247-M254 VanDerWaalsContact O-CE 3.29Å; E247-M254 WeakPolarHBondContact O-CE 3.47Å; E247-M254 VanDerWaalsContact O-SD 3.37Å; E247-Y261 VanDerWaalsContact OE1-CE1 3.24Å; E247-Y261 WeakPolarHBondContact OE1-CE1 3.2Å; E247-Y261 PolarHBondContact OE1-OH 2.94Å; E247-R265 IonicContact OE1-CZ 2.8Å; E247-R265 IonicContact OE1-NE 3.73Å; E247-R265 PolarHBondContact OE1-NE 3.33Å; E247-R265 IonicContact OE1-NH2 3.87Å; E247-R265 IonicContact OE2-CZ 2.71Å; E247-R265 IonicContact OE2-NE 2.76Å; E247-R265 IonicContact OE2-NH2 3.29Å; E247-R265 PolarHBondContact OE2-NH2 2.71Å; E247-R265 VanDerWaalsContact OE2-NH2 3.08Å
248	R	76.7	Confident	74.5	Confident	115 Å²	115	53.8 Å²	53.8	43%	0.434	28%	0.278	S	S	.	.	H	α-helix	trans	-60.2	-35.6	177.8	-60.9	-177.5	-169.3	98.6	1	112.9	L243 H244 A245	L243-R248 HydrophobicContact CB-CG 4.34Å; L243-R248 VanDerWaalsContact O-CZ 3.26Å; L243-R248 PolarHBondContact O-NH1 3.27Å; L243-R248 PolarHBondContact O-NH2 2.78Å; H244-R248 PolarHBondContact O-N 3.47Å; A245-R248 WeakPolarHBondContact O-CB 3.28Å; A245-R248 PolarHBondContact O-N 2.93Å
249	F	70.8	Confident	75.4	Confident	172 Å²	172	54.6 Å²	54.6	75%	0.754	29%	0.285	S	S	*	.	H	α-helix	trans	-70	-47.8	176.8	-179.8	-97.9	0	0	0	112	A245 W246 E247	A245-F249 PolarHBondContact O-N 3.06Å; A245-F249 VanDerWaalsContact O-N 3.13Å; W246-F249 PolarHBondContact O-N 3.47Å; E247-F249 VanDerWaalsContact C-N 3.26Å; E247-F249 PolarHBondContact O-N 3Å
250	S	70	Confident	76	Confident	26 Å²	26	53.4 Å²	53.4	18%	0.182	28%	0.276	C	S	.	.	H	α-helix	trans	-74.2	-29.4	-173.3	-47.9	0	0	0	0	112.5	W246 E247	W246-S250 WeakPolarHBondContact O-CB 3.36Å; W246-S250 PolarHBondContact O-N 2.83Å; W246-S250 PolarHBondContact O-OG 3.08Å; E247-S250 PolarHBondContact O-N 2.82Å
251	F	80.9	Confident	76.5	Confident	13 Å²	13	53.5 Å²	53.5	6%	0.057	28%	0.276	C	S	.	.			trans	-123.7	69	-176.4	-53.1	-85.6	0	0	0	111.2	W246 E247 E253 M254 Y261 H306 L307 E310 F311	W246-F251 HydrophobicContact CZ3-CE2 4.27Å; E247-F251 WeakPolarHBondContact O-CD2 3.38Å; E247-F251 PolarHBondContact O-N 3.27Å; F251-E253 PolarHBondContact O-N 2.78Å; F251-M254 HydrophobicContact CB-CE 3.48Å; F251-M254 VanDerWaalsContact CB-CE 3.48Å; F251-M254 HydrophobicContact CB-CG 3.68Å; F251-M254 HydrophobicContact CB-SD 3.79Å; F251-M254 HydrophobicContact CD2-CE 3.53Å; F251-M254 HydrophobicContact CG-CE 3.82Å; F251-M254 WeakPolarHBondContact O-CB 3.2Å; F251-M254 WeakPolarHBondContact O-CG 3.49Å; F251-M254 PolarHBondContact O-N 3.41Å; F251-M254 VanDerWaalsContact O-SD 3.4Å; F251-Y261 HydrophobicContact CB-CD2 4.45Å; F251-Y261 HydrophobicContact CB-CE2 4.18Å; F251-Y261 HydrophobicContact CD1-CE2 4.11Å; F251-Y261 AromaticContact CD2-CE2 3.85Å; F251-Y261 HydrophobicContact CD2-CE2 3.85Å; F251-Y261 HydrophobicContact CE1-CE2 4.48Å; F251-Y261 HydrophobicContact CE2-CE2 4.25Å; F251-Y261 HydrophobicContact CG-CD2 4.47Å; F251-Y261 AromaticContact CG-CE2 3.78Å; F251-Y261 HydrophobicContact CG-CE2 3.78Å; F251-H306 AromaticContact CD1-CD2 3.73Å; F251-H306 AromaticContact CE1-CD2 3.41Å; F251-H306 VanDerWaalsContact CE1-CD2 3.41Å; F251-H306 WeakPolarHBondContact CE1-CD2 3.42Å; F251-L307 HydrophobicContact CE1-CB 4.04Å; F251-L307 HydrophobicContact CE1-CG 4.41Å; F251-L307 HydrophobicContact CZ-CB 4.17Å; F251-L307 HydrophobicContact CZ-CG 4.15Å; F251-E310 HydrophobicContact CE2-CG 4.24Å; F251-E310 HydrophobicContact CZ-CB 3.87Å; F251-E310 HydrophobicContact CZ-CG 4.09Å; F251-F311 HydrophobicContact CE2-CE1 4.28Å; F251-F311 HydrophobicContact CZ-CE1 4.44Å
252	S	70.6	Confident	76.9	Confident	64 Å²	64	51.9 Å²	51.9	45%	0.448	27%	0.268	S	S	.	.	G	3₁₀ helix	trans	-54.7	-27.5	-176.2	69.9	0	0	0	0	114.8	M254 S255	S252-M254 PolarHBondContact O-N 3.15Å; S252-S255 PolarHBondContact O-N 3.15Å; S252-S255 PolarHBondContact O-OG 3.43Å
253	E	68.1	Low	77.5	Confident	52 Å²	52	48.4 Å²	48.4	24%	0.243	25%	0.25	C	C	.	.	G	3₁₀ helix	trans	-67.8	-18.1	177.9	-60.8	88.9	158	0	0	113.3	H176 L179 F251 S255 R256 W303	H176-E253 IonicContact CE1-OE1 2.84Å; H176-E253 PolarHBondContact CE1-OE1 3.37Å; H176-E253 IonicContact ND1-OE1 3.58Å; H176-E253 PolarHBondContact ND1-OE1 3.12Å; L179-E253 HydrophobicContact CD1-CB 4.39Å; L179-E253 HydrophobicContact CD1-CG 4.2Å; F251-E253 PolarHBondContact O-N 2.78Å; E253-S255 PolarHBondContact O-N 2.52Å; E253-R256 PolarHBondContact O-N 2.72Å; E253-W303 HydrophobicContact CB-CH2 4.42Å; E253-W303 HydrophobicContact CB-CZ2 3.68Å
254	M	67.2	Low	78.1	Confident	6 Å²	6	47.1 Å²	47.1	3%	0.03	24%	0.243	C	C	.	.	G	3₁₀ helix	trans	-52.4	-36.1	171.8	-74.4	170.4	170.1	0	0	112.8	L243 E247 F251 S252 R256 F257 P258 Y261	L243-M254 HydrophobicContact CD1-SD 4.33Å; L243-M254 HydrophobicContact CD2-CE 4.12Å; L243-M254 HydrophobicContact CD2-SD 4.38Å; E247-M254 HydrophobicContact CB-CE 3.59Å; E247-M254 HydrophobicContact CB-SD 4.46Å; E247-M254 HydrophobicContact CG-CE 4.37Å; E247-M254 VanDerWaalsContact O-CE 3.29Å; E247-M254 WeakPolarHBondContact O-CE 3.47Å; E247-M254 VanDerWaalsContact O-SD 3.37Å; F251-M254 HydrophobicContact CB-CE 3.48Å; F251-M254 VanDerWaalsContact CB-CE 3.48Å; F251-M254 HydrophobicContact CB-CG 3.68Å; F251-M254 HydrophobicContact CB-SD 3.79Å; F251-M254 HydrophobicContact CD2-CE 3.53Å; F251-M254 HydrophobicContact CG-CE 3.82Å; F251-M254 WeakPolarHBondContact O-CB 3.2Å; F251-M254 WeakPolarHBondContact O-CG 3.49Å; F251-M254 PolarHBondContact O-N 3.41Å; F251-M254 VanDerWaalsContact O-SD 3.4Å; S252-M254 PolarHBondContact O-N 3.15Å; M254-R256 PolarHBondContact O-N 3.25Å; M254-F257 CarbonylContact O-C 3.57Å; M254-F257 VanDerWaalsContact O-C 3.27Å; M254-F257 PolarHBondContact O-N 3.09Å; M254-P258 WeakPolarHBondContact O-CA 3.43Å; M254-P258 VanDerWaalsContact O-CD 3.29Å; M254-P258 WeakPolarHBondContact O-CD 3.49Å; M254-Y261 HydrophobicContact CE-CD1 3.38Å; M254-Y261 HydrophobicContact CE-CD2 3.53Å; M254-Y261 HydrophobicContact CE-CE1 3.06Å; M254-Y261 HydrophobicContact CE-CE2 3.18Å; M254-Y261 HydrophobicContact CE-CG 3.61Å; M254-Y261 WeakPolarHBondContact CE-OH 3.46Å; M254-Y261 HydrophobicContact CG-CD1 4.01Å; M254-Y261 HydrophobicContact CG-CD2 3.7Å; M254-Y261 HydrophobicContact CG-CE2 4.29Å; M254-Y261 HydrophobicContact CG-CG 3.52Å; M254-Y261 HydrophobicContact SD-CD1 4.28Å; M254-Y261 HydrophobicContact SD-CE1 4.41Å; M254-Y261 HydrophobicContact SD-CG 4.33Å
255	S	63.6	Low	79.1	Confident	110 Å²	110	43.9 Å²	43.9	77%	0.769	23%	0.228	S	C	*	.	G	3₁₀ helix	trans	-54.4	-29.6	-172.8	56.4	0	0	0	0	112.5	S252 E253	S252-S255 PolarHBondContact O-N 3.15Å; S252-S255 PolarHBondContact O-OG 3.43Å; E253-S255 PolarHBondContact O-N 2.52Å
256	R	73.2	Confident	80.1	Confident	127 Å²	127	41.5 Å²	41.5	48%	0.479	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.2	-31.1	179	-166.4	172	172.6	154.2	-10.5	113.9	A180 M182 E253 M254	A180-R256 VanDerWaalsContact O-CZ 3.3Å; A180-R256 PolarHBondContact O-NH1 2.59Å; A180-R256 VanDerWaalsContact O-NH1 3.15Å; A180-R256 PolarHBondContact O-NH2 2.85Å; M182-R256 PolarHBondContact O-NH2 2.76Å; E253-R256 PolarHBondContact O-N 2.72Å; M254-R256 PolarHBondContact O-N 3.25Å
257	F	82.8	Confident	81.2	Confident	22 Å²	22	38.7 Å²	38.7	10%	0.096	20%	0.198	C	C	.	.			trans	-137.8	63.1	-175.8	-53	-73.5	0	0	0	111.8	M182 H185 M254 T259 L260 Y261	M182-F257 HydrophobicContact CB-CE1 4.45Å; M182-F257 HydrophobicContact CB-CE2 4.41Å; M182-F257 HydrophobicContact CB-CZ 3.74Å; M182-F257 HydrophobicContact CE-CD1 4.4Å; M182-F257 HydrophobicContact CE-CD2 3.69Å; M182-F257 HydrophobicContact CE-CE1 4.03Å; M182-F257 HydrophobicContact CE-CE2 3.23Å; M182-F257 HydrophobicContact CE-CG 4.26Å; M182-F257 HydrophobicContact CE-CZ 3.44Å; M182-F257 VanDerWaalsContact CE-CZ 3.44Å; H185-F257 AromaticContact CD2-CD1 3.67Å; H185-F257 AromaticContact CD2-CE1 3.93Å; H185-F257 AromaticContact NE2-CD1 3.79Å; M254-F257 CarbonylContact O-C 3.57Å; M254-F257 VanDerWaalsContact O-C 3.27Å; M254-F257 PolarHBondContact O-N 3.09Å; F257-T259 PolarHBondContact O-N 3.42Å; F257-L260 HydrophobicContact CB-CB 3.87Å; F257-L260 HydrophobicContact CB-CD2 4.14Å; F257-L260 WeakPolarHBondContact O-CB 3.36Å; F257-L260 PolarHBondContact O-N 3.12Å; F257-Y261 PolarHBondContact O-N 3.01Å; F257-Y261 VanDerWaalsContact O-N 3.08Å
258	P	84	Confident	81.8	Confident	56 Å²	56	38.7 Å²	38.7	36%	0.364	20%	0.198	S	C	.	.	H	α-helix	trans	-63.9	-41.1	-170.7	23.2	-33.5	0	0	0	112.5	L243 M254 L260 Y261 L262	L243-P258 HydrophobicContact CD1-CB 4.33Å; M254-P258 WeakPolarHBondContact O-CA 3.43Å; M254-P258 VanDerWaalsContact O-CD 3.29Å; M254-P258 WeakPolarHBondContact O-CD 3.49Å; P258-L260 VanDerWaalsContact C-N 3.34Å; P258-L260 PolarHBondContact O-N 2.69Å; P258-Y261 PolarHBondContact O-N 3.46Å; P258-L262 WeakPolarHBondContact O-CG 3.46Å; P258-L262 PolarHBondContact O-N 3.42Å
259	T	87.5	Confident	82.3	Confident	38 Å²	38	33.6 Å²	33.6	23%	0.233	18%	0.179	C	C	.	.	H	α-helix	trans	-65.5	-37.2	177.7	55.6	0	0	0	0	112.1	G206 F257 L262 A263	G206-T259 WeakPolarHBondContact CA-O 3.33Å; F257-T259 PolarHBondContact O-N 3.42Å; T259-L262 PolarHBondContact O-N 3.45Å; T259-A263 PolarHBondContact O-N 3.49Å
260	L	89.8	Confident	83.1	Confident	1 Å²	1	25.8 Å²	25.8	1%	0.005	15%	0.146	C	C	.	.	H	α-helix	trans	-63.4	-42.8	174.6	177.7	64.5	0	0	0	111.3	F257 P258 A263 V264 L295 L299 W303	F257-L260 HydrophobicContact CB-CB 3.87Å; F257-L260 HydrophobicContact CB-CD2 4.14Å; F257-L260 WeakPolarHBondContact O-CB 3.36Å; F257-L260 PolarHBondContact O-N 3.12Å; P258-L260 VanDerWaalsContact C-N 3.34Å; P258-L260 PolarHBondContact O-N 2.69Å; L260-A263 PolarHBondContact O-N 3.17Å; L260-V264 WeakPolarHBondContact O-CG2 3.06Å; L260-V264 PolarHBondContact O-N 2.59Å; L260-L295 HydrophobicContact CD1-CD2 4.07Å; L260-L295 HydrophobicContact CD2-CD1 4.04Å; L260-L295 HydrophobicContact CD2-CD2 3.69Å; L260-L295 HydrophobicContact CD2-CG 4.42Å; L260-L299 HydrophobicContact CD1-CD1 4.3Å; L260-W303 HydrophobicContact CD2-CZ3 4.3Å; L260-W303 HydrophobicContact CG-CZ3 4.37Å
261	Y	90.7	Very high	84	Confident	3 Å²	3	25.1 Å²	25.1	1%	0.012	14%	0.14	C	C	.	.	H	α-helix	trans	-60.7	-49.6	174	170.7	-87	0	0	0	110.8	L243 E247 F251 M254 F257 P258 A263 V264 R265 L307	L243-Y261 HydrophobicContact CD2-CD1 3.5Å; L243-Y261 VanDerWaalsContact CD2-CD1 3.5Å; L243-Y261 HydrophobicContact CD2-CE1 3.52Å; E247-Y261 VanDerWaalsContact OE1-CE1 3.24Å; E247-Y261 WeakPolarHBondContact OE1-CE1 3.2Å; E247-Y261 PolarHBondContact OE1-OH 2.94Å; F251-Y261 HydrophobicContact CB-CD2 4.45Å; F251-Y261 HydrophobicContact CB-CE2 4.18Å; F251-Y261 HydrophobicContact CD1-CE2 4.11Å; F251-Y261 AromaticContact CD2-CE2 3.85Å; F251-Y261 HydrophobicContact CD2-CE2 3.85Å; F251-Y261 HydrophobicContact CE1-CE2 4.48Å; F251-Y261 HydrophobicContact CE2-CE2 4.25Å; F251-Y261 HydrophobicContact CG-CD2 4.47Å; F251-Y261 AromaticContact CG-CE2 3.78Å; F251-Y261 HydrophobicContact CG-CE2 3.78Å; M254-Y261 HydrophobicContact CE-CD1 3.38Å; M254-Y261 HydrophobicContact CE-CD2 3.53Å; M254-Y261 HydrophobicContact CE-CE1 3.06Å; M254-Y261 HydrophobicContact CE-CE2 3.18Å; M254-Y261 HydrophobicContact CE-CG 3.61Å; M254-Y261 WeakPolarHBondContact CE-OH 3.46Å; M254-Y261 HydrophobicContact CG-CD1 4.01Å; M254-Y261 HydrophobicContact CG-CD2 3.7Å; M254-Y261 HydrophobicContact CG-CE2 4.29Å; M254-Y261 HydrophobicContact CG-CG 3.52Å; M254-Y261 HydrophobicContact SD-CD1 4.28Å; M254-Y261 HydrophobicContact SD-CE1 4.41Å; M254-Y261 HydrophobicContact SD-CG 4.33Å; F257-Y261 PolarHBondContact O-N 3.01Å; F257-Y261 VanDerWaalsContact O-N 3.08Å; P258-Y261 PolarHBondContact O-N 3.46Å; Y261-A263 VanDerWaalsContact C-N 3.25Å; Y261-A263 PolarHBondContact O-N 2.82Å; Y261-V264 PolarHBondContact O-N 2.95Å; Y261-R265 HydrophobicContact CD1-CB 4.21Å; Y261-R265 HydrophobicContact CE1-CB 3.59Å; Y261-R265 HydrophobicContact CE1-CG 3.91Å; Y261-R265 HydrophobicContact CE2-CB 4.41Å; Y261-R265 WeakPolarHBondContact O-CB 3.38Å; Y261-R265 PolarHBondContact O-N 2.86Å; Y261-L307 HydrophobicContact CD2-CD1 4.38Å; Y261-L307 HydrophobicContact CE2-CD1 3.55Å
262	L	90.1	Very high	84.1	Confident	7 Å²	7	25 Å²	25	4%	0.037	14%	0.139	C	C	.	.	H	α-helix	trans	-54.7	-43.2	179.2	-73.6	167.3	0	0	0	111.4	I241 L243 P258 T259 V264 R265 N266	I241-L262 WeakPolarHBondContact O-CD1 3.46Å; L243-L262 HydrophobicContact CD2-CD2 3.54Å; L243-L262 HydrophobicContact CD2-CG 4.04Å; L243-L262 HydrophobicContact CG-CD2 4.06Å; L243-L262 HydrophobicContact CG-CG 4.46Å; P258-L262 WeakPolarHBondContact O-CG 3.46Å; P258-L262 PolarHBondContact O-N 3.42Å; T259-L262 PolarHBondContact O-N 3.45Å; L262-V264 VanDerWaalsContact C-N 3.35Å; L262-V264 PolarHBondContact O-N 3.49Å; L262-R265 VanDerWaalsContact CD2-CZ 3.47Å; L262-R265 PolarHBondContact O-N 3.49Å; L262-N266 WeakPolarHBondContact O-CB 3.39Å; L262-N266 PolarHBondContact O-N 2.84Å; L262-N266 PolarHBondContact O-ND2 3.21Å
263	A	92.1	Very high	84.5	Confident	0 Å²	0	24.2 Å²	24.2	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-58.7	-43.8	176.4	0	0	0	0	0	113	L188 A205 G206 L207 T259 L260 Y261 L267	L188-A263 HydrophobicContact CB-CB 4.11Å; L188-A263 HydrophobicContact CD2-CB 4.02Å; L188-A263 WeakPolarHBondContact CD2-O 3.46Å; A205-A263 WeakPolarHBondContact O-CA 3.24Å; A205-A263 WeakPolarHBondContact O-CB 3.35Å; A205-A263 PolarHBondContact O-N 2.94Å; G206-A263 VanDerWaalsContact O-CB 3.27Å; G206-A263 WeakPolarHBondContact O-CB 3.4Å; L207-A263 HydrophobicContact CD2-CB 3.91Å; T259-A263 PolarHBondContact O-N 3.49Å; L260-A263 PolarHBondContact O-N 3.17Å; Y261-A263 VanDerWaalsContact C-N 3.25Å; Y261-A263 PolarHBondContact O-N 2.82Å; A263-L267 WeakPolarHBondContact O-CB 3.37Å; A263-L267 PolarHBondContact O-N 3.34Å
264	V	93.2	Very high	85.1	Confident	1 Å²	1	30.1 Å²	30.1	1%	0.006	15%	0.148	C	C	.	.	H	α-helix	trans	-74.4	-40.7	-179.2	177	0	0	0	0	111.3	L260 Y261 L262 L267 V268 L299 I304	L260-V264 WeakPolarHBondContact O-CG2 3.06Å; L260-V264 PolarHBondContact O-N 2.59Å; Y261-V264 PolarHBondContact O-N 2.95Å; L262-V264 VanDerWaalsContact C-N 3.35Å; L262-V264 PolarHBondContact O-N 3.49Å; V264-L267 WeakPolarHBondContact O-CB 3.35Å; V264-L267 PolarHBondContact O-N 2.99Å; V264-V268 PolarHBondContact O-N 2.81Å; V264-V268 VanDerWaalsContact O-N 3.13Å; V264-L299 HydrophobicContact CG2-CD1 4.02Å; V264-L299 HydrophobicContact CG2-CD2 4.05Å; V264-I304 HydrophobicContact CG1-CD1 4.29Å; V264-I304 HydrophobicContact CG1-CG1 3.56Å
265	R	91.7	Very high	85.5	Confident	0 Å²	0	33 Å²	33	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-61.8	-49.4	175.3	-178.6	-104.5	-82.9	168.3	-14	111.7	S239 D242 E247 Y261 L262 L267 V268 L269 L307 F311	S239-R265 PolarHBondContact O-NH1 2.84Å; D242-R265 PolarHBondContact O-NH2 3.22Å; E247-R265 IonicContact OE1-CZ 2.8Å; E247-R265 IonicContact OE1-NE 3.73Å; E247-R265 PolarHBondContact OE1-NE 3.33Å; E247-R265 IonicContact OE1-NH2 3.87Å; E247-R265 IonicContact OE2-CZ 2.71Å; E247-R265 IonicContact OE2-NE 2.76Å; E247-R265 IonicContact OE2-NH2 3.29Å; E247-R265 PolarHBondContact OE2-NH2 2.71Å; E247-R265 VanDerWaalsContact OE2-NH2 3.08Å; Y261-R265 HydrophobicContact CD1-CB 4.21Å; Y261-R265 HydrophobicContact CE1-CB 3.59Å; Y261-R265 HydrophobicContact CE1-CG 3.91Å; Y261-R265 HydrophobicContact CE2-CB 4.41Å; Y261-R265 WeakPolarHBondContact O-CB 3.38Å; Y261-R265 PolarHBondContact O-N 2.86Å; L262-R265 VanDerWaalsContact CD2-CZ 3.47Å; L262-R265 PolarHBondContact O-N 3.49Å; R265-L267 VanDerWaalsContact C-N 3.29Å; R265-L267 PolarHBondContact O-N 2.61Å; R265-V268 PolarHBondContact O-N 3.17Å; R265-V268 VanDerWaalsContact O-N 3.13Å; R265-L269 HydrophobicContact CG-CD1 4.39Å; R265-L269 PolarHBondContact O-N 3.44Å; R265-L307 HydrophobicContact CB-CD1 3.85Å; R265-L307 HydrophobicContact CG-CD1 4.28Å; R265-F311 HydrophobicContact CG-CE2 3.75Å; R265-F311 HydrophobicContact CG-CZ 3.44Å; R265-F311 VanDerWaalsContact CG-CZ 3.44Å
266	N	90.6	Very high	85.8	Confident	0 Å²	0	29.9 Å²	29.9	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-65	-33.7	178	-68.7	-18.4	0	0	0	111.7	A193 F229 P240 L262 C270	A193-N266 HydrophobicContact CB-CB 3.9Å; F229-N266 WeakPolarHBondContact CE1-OD1 3.38Å; F229-N266 HydrophobicContact CZ-CB 3.81Å; F229-N266 WeakPolarHBondContact CZ-OD1 3.15Å; P240-N266 PolarHBondContact O-ND2 3Å; L262-N266 WeakPolarHBondContact O-CB 3.39Å; L262-N266 PolarHBondContact O-N 2.84Å; L262-N266 PolarHBondContact O-ND2 3.21Å; N266-C270 VanDerWaalsContact O-CB 3.25Å; N266-C270 WeakPolarHBondContact O-CB 2.79Å; N266-C270 PolarHBondContact O-N 3.45Å; N266-C270 PolarHBondContact O-SG 3.45Å
267	L	92.9	Very high	85.5	Confident	0 Å²	0	28.5 Å²	28.5	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-57	-50.7	170.1	168.8	68.6	0	0	0	111	L188 P192 A263 V264 R265 L271 H288 C289	L188-L267 HydrophobicContact CD2-CB 4.07Å; L188-L267 HydrophobicContact CD2-CD2 4.21Å; P192-L267 HydrophobicContact CG-CD1 3.96Å; A263-L267 WeakPolarHBondContact O-CB 3.37Å; A263-L267 PolarHBondContact O-N 3.34Å; V264-L267 WeakPolarHBondContact O-CB 3.35Å; V264-L267 PolarHBondContact O-N 2.99Å; R265-L267 VanDerWaalsContact C-N 3.29Å; R265-L267 PolarHBondContact O-N 2.61Å; L267-L271 HydrophobicContact CD1-CD1 3.85Å; L267-L271 HydrophobicContact CD1-CG 4.08Å; L267-L271 HydrophobicContact CG-CD1 4.01Å; L267-L271 WeakPolarHBondContact O-CB 3.12Å; L267-L271 WeakPolarHBondContact O-CG 3.37Å; L267-L271 PolarHBondContact O-N 2.98Å; L267-H288 HydrophobicContact CD1-CB 3.95Å; L267-C289 HydrophobicContact CD2-CB 4.03Å
268	V	90.7	Very high	85.2	Confident	0 Å²	0	31 Å²	31	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-64.6	-45.9	-178.7	172.2	0	0	0	0	111.6	V264 R265 L271 W272 I280 A285 L307 I308 I317	V264-V268 PolarHBondContact O-N 2.81Å; V264-V268 VanDerWaalsContact O-N 3.13Å; R265-V268 PolarHBondContact O-N 3.17Å; R265-V268 VanDerWaalsContact O-N 3.13Å; V268-L271 PolarHBondContact O-N 3.35Å; V268-W272 PolarHBondContact O-N 2.93Å; V268-I280 HydrophobicContact CG1-CG2 4.4Å; V268-A285 HydrophobicContact CG2-CB 4.25Å; V268-L307 HydrophobicContact CB-CD2 3.79Å; V268-L307 HydrophobicContact CG1-CD2 3.82Å; V268-L307 HydrophobicContact CG2-CD2 3.92Å; V268-I308 HydrophobicContact CG1-CG1 3.9Å; V268-I308 HydrophobicContact CG2-CG1 4.27Å; V268-I317 HydrophobicContact CG1-CD1 3.69Å
269	L	87.5	Confident	84.7	Confident	8 Å²	8	29.4 Å²	29.4	4%	0.042	14%	0.135	C	C	.	.	H	α-helix	trans	-59.8	-48.8	176.9	-71.3	177.6	0	0	0	112	F229 F238 R265 L271 W272 F273 F311 I317	F229-L269 HydrophobicContact CE1-CD1 4.49Å; F238-L269 HydrophobicContact CB-CD1 3.98Å; F238-L269 HydrophobicContact CD1-CD1 3.93Å; F238-L269 HydrophobicContact CD2-CD1 3.99Å; F238-L269 HydrophobicContact CD2-CD2 4.49Å; F238-L269 HydrophobicContact CE1-CD1 4.49Å; F238-L269 HydrophobicContact CE2-CD2 4.45Å; F238-L269 HydrophobicContact CG-CD1 3.66Å; R265-L269 HydrophobicContact CG-CD1 4.39Å; R265-L269 PolarHBondContact O-N 3.44Å; L269-L271 VanDerWaalsContact C-N 3.32Å; L269-L271 PolarHBondContact O-N 3.04Å; L269-W272 PolarHBondContact O-N 3.17Å; L269-F273 VanDerWaalsContact O-CB 3.29Å; L269-F273 WeakPolarHBondContact O-CB 3.48Å; L269-F273 PolarHBondContact O-N 2.9Å; L269-F311 HydrophobicContact CD1-CE2 4.31Å; L269-F311 HydrophobicContact CD2-CD2 3.87Å; L269-F311 HydrophobicContact CD2-CE2 3.71Å; L269-F311 HydrophobicContact CG-CD2 4.44Å; L269-F311 HydrophobicContact CG-CE2 3.89Å; L269-I317 HydrophobicContact CD2-CG2 4.11Å
270	C	88.6	Confident	84.4	Confident	8 Å²	8	27.7 Å²	27.7	5%	0.054	12%	0.124	C	C	.	.	H	α-helix	trans	-64.4	-35.2	178.9	-71.3	0	0	0	0	112.6	P192 N266 R274	P192-C270 HydrophobicContact CB-CB 4.31Å; P192-C270 HydrophobicContact CG-CB 4.07Å; N266-C270 VanDerWaalsContact O-CB 3.25Å; N266-C270 WeakPolarHBondContact O-CB 2.79Å; N266-C270 PolarHBondContact O-N 3.45Å; N266-C270 PolarHBondContact O-SG 3.45Å; C270-R274 VanDerWaalsContact O-CB 3.28Å; C270-R274 WeakPolarHBondContact O-CB 3.41Å; C270-R274 PolarHBondContact O-N 3.5Å; C270-R274 VanDerWaalsContact O-N 3.1Å
271	L	88.5	Confident	84	Confident	11 Å²	11	29.1 Å²	29.1	6%	0.058	13%	0.133	C	C	.	.	H	α-helix	trans	-65.8	-42.6	176.1	-75.2	172.8	0	0	0	111.9	P192 L267 V268 L269 I280 F284 A285 H288	P192-L271 HydrophobicContact CG-CD2 4.25Å; P192-L271 HydrophobicContact CG-CG 4.41Å; L267-L271 HydrophobicContact CD1-CD1 3.85Å; L267-L271 HydrophobicContact CD1-CG 4.08Å; L267-L271 HydrophobicContact CG-CD1 4.01Å; L267-L271 WeakPolarHBondContact O-CB 3.12Å; L267-L271 WeakPolarHBondContact O-CG 3.37Å; L267-L271 PolarHBondContact O-N 2.98Å; V268-L271 PolarHBondContact O-N 3.35Å; L269-L271 VanDerWaalsContact C-N 3.32Å; L269-L271 PolarHBondContact O-N 3.04Å; L271-I280 HydrophobicContact CB-CD1 4.07Å; L271-F284 HydrophobicContact CB-CE1 4.25Å; L271-F284 HydrophobicContact CD1-CE1 4.38Å; L271-F284 HydrophobicContact CD2-CE1 4.07Å; L271-F284 HydrophobicContact CD2-CZ 4.41Å; L271-F284 HydrophobicContact CG-CE1 4.47Å; L271-A285 HydrophobicContact CD1-CB 4.14Å; L271-H288 HydrophobicContact CD1-CB 3.97Å; L271-H288 HydrophobicContact CD2-CB 4.08Å
272	W	82.3	Confident	83.7	Confident	12 Å²	12	29.9 Å²	29.9	5%	0.045	14%	0.142	C	C	.	.	H	α-helix	trans	-68.4	-49.6	176.9	-172.3	67.3	0	0	0	111.3	V268 L269 R274 N275 P276 I280 L316 I317 F530	V268-W272 PolarHBondContact O-N 2.93Å; L269-W272 PolarHBondContact O-N 3.17Å; W272-R274 PolarHBondContact O-N 2.96Å; W272-N275 CarbonylContact O-C 3.58Å; W272-N275 PolarHBondContact O-N 3.39Å; W272-P276 HydrophobicContact CD2-CB 4.4Å; W272-P276 HydrophobicContact CH2-CB 4.07Å; W272-P276 HydrophobicContact CZ2-CB 3.74Å; W272-P276 PolarHBondContact NE1-O 2.94Å; W272-P276 WeakPolarHBondContact O-CA 3.31Å; W272-I280 HydrophobicContact CB-CD1 4.48Å; W272-I280 HydrophobicContact CB-CG1 3.8Å; W272-I280 HydrophobicContact CG-CG1 4.13Å; W272-L316 WeakPolarHBondContact CZ3-O 3.28Å; W272-I317 HydrophobicContact CB-CB 4.17Å; W272-I317 HydrophobicContact CB-CG2 3.87Å; W272-I317 HydrophobicContact CD2-CB 3.88Å; W272-I317 HydrophobicContact CD2-CG2 3.95Å; W272-I317 HydrophobicContact CE3-CB 4.43Å; W272-I317 HydrophobicContact CE3-CG2 4.1Å; W272-I317 HydrophobicContact CG-CB 3.72Å; W272-I317 HydrophobicContact CG-CG2 3.84Å; W272-F530 HydrophobicContact CH2-CD1 4.38Å; W272-F530 AromaticContact CH2-CE1 3.43Å; W272-F530 HydrophobicContact CH2-CE1 3.43Å; W272-F530 VanDerWaalsContact CH2-CE1 3.43Å; W272-F530 HydrophobicContact CH2-CE2 4.14Å; W272-F530 AromaticContact CH2-CZ 3.33Å; W272-F530 HydrophobicContact CH2-CZ 3.33Å; W272-F530 HydrophobicContact CZ2-CZ 4.47Å; W272-F530 AromaticContact CZ3-CE1 3.92Å; W272-F530 HydrophobicContact CZ3-CE1 3.92Å; W272-F530 AromaticContact CZ3-CZ 3.81Å; W272-F530 HydrophobicContact CZ3-CZ 3.81Å
273	F	79.3	Confident	83.5	Confident	46 Å²	46	34.2 Å²	34.2	20%	0.202	16%	0.16	C	C	.	.	H	α-helix	trans	-60.4	-32.2	-178	-165.9	-100.1	0	0	0	112.9	D226 P228 V231 L269 N275	D226-F273 VanDerWaalsContact C-CE1 3.47Å; D226-F273 HydrophobicContact CB-CD1 4.49Å; D226-F273 HydrophobicContact CB-CE1 3.67Å; D226-F273 HydrophobicContact CB-CZ 4.48Å; D226-F273 WeakPolarHBondContact O-CD1 3.45Å; D226-F273 WeakPolarHBondContact O-CE1 3.48Å; P228-F273 HydrophobicContact CB-CB 4.07Å; P228-F273 HydrophobicContact CB-CD1 4.29Å; P228-F273 HydrophobicContact CB-CD2 4.06Å; P228-F273 HydrophobicContact CB-CG 3.87Å; P228-F273 HydrophobicContact CG-CB 4.3Å; P228-F273 HydrophobicContact CG-CG 4.38Å; V231-F273 HydrophobicContact CG2-CE1 4.41Å; V231-F273 HydrophobicContact CG2-CE2 4.01Å; V231-F273 HydrophobicContact CG2-CZ 3.49Å; V231-F273 VanDerWaalsContact CG2-CZ 3.49Å; L269-F273 VanDerWaalsContact O-CB 3.29Å; L269-F273 WeakPolarHBondContact O-CB 3.48Å; L269-F273 PolarHBondContact O-N 2.9Å; F273-N275 PolarHBondContact O-N 3.36Å
274	R	80.7	Confident	83.3	Confident	177 Å²	177	35.6 Å²	35.6	67%	0.668	17%	0.166	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63	-27.5	174.4	-177.2	172.5	179.2	155.2	2	113.5	C270 W272	C270-R274 VanDerWaalsContact O-CB 3.28Å; C270-R274 WeakPolarHBondContact O-CB 3.41Å; C270-R274 PolarHBondContact O-N 3.5Å; C270-R274 VanDerWaalsContact O-N 3.1Å; W272-R274 PolarHBondContact O-N 2.96Å
275	N	76.2	Confident	83.2	Confident	67 Å²	67	35.5 Å²	35.5	36%	0.358	17%	0.166	S	C	.	.			trans	-156	85.5	173.2	-175.8	-0.9	0	0	0	109.9	W272 F273 K277 R278	W272-N275 CarbonylContact O-C 3.58Å; W272-N275 PolarHBondContact O-N 3.39Å; F273-N275 PolarHBondContact O-N 3.36Å; N275-K277 PolarHBondContact O-N 3.18Å; N275-K277 VanDerWaalsContact O-N 3.13Å; N275-K277 PolarHBondContact OD1-N 2.97Å; N275-R278 HydrophobicContact CB-CB 4.21Å; N275-R278 WeakPolarHBondContact O-CB 3.42Å; N275-R278 PolarHBondContact O-N 2.9Å
276	P	69.3	Low	83.2	Confident	43 Å²	43	36 Å²	36	28%	0.279	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-18	-175	25.2	-34	0	0	0	112.7	W272 R278	W272-P276 HydrophobicContact CD2-CB 4.4Å; W272-P276 HydrophobicContact CH2-CB 4.07Å; W272-P276 HydrophobicContact CZ2-CB 3.74Å; W272-P276 PolarHBondContact NE1-O 2.94Å; W272-P276 WeakPolarHBondContact O-CA 3.31Å; P276-R278 VanDerWaalsContact C-N 3.25Å; P276-R278 PolarHBondContact O-N 3.25Å
277	K	67.5	Low	83.2	Confident	99 Å²	99	37.6 Å²	37.6	43%	0.43	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.9	-3.7	173.3	-59.8	-172.6	-179.2	-173.6	0	113.2	N275 V321 C322 Q323	N275-K277 PolarHBondContact O-N 3.18Å; N275-K277 VanDerWaalsContact O-N 3.13Å; N275-K277 PolarHBondContact OD1-N 2.97Å; K277-V321 WeakPolarHBondContact CA-O 3.29Å; K277-C322 CarbonylContact O-C 3.53Å; K277-C322 WeakPolarHBondContact O-CA 3.35Å; K277-Q323 PolarHBondContact O-N 3Å
278	R	76.2	Confident	83.2	Confident	75 Å²	75	40.6 Å²	40.6	28%	0.283	19%	0.192	S	C	.	.	B	Isolated β-bridge	trans	-97.8	132.9	176.1	-178.5	-178.9	-175.6	139.5	14.7	110.1	N275 P276 I280 F284 D325	N275-R278 HydrophobicContact CB-CB 4.21Å; N275-R278 WeakPolarHBondContact O-CB 3.42Å; N275-R278 PolarHBondContact O-N 2.9Å; P276-R278 VanDerWaalsContact C-N 3.25Å; P276-R278 PolarHBondContact O-N 3.25Å; R278-I280 PolarHBondContact O-N 3.49Å; R278-F284 VanDerWaalsContact NH2-CE2 3.31Å; R278-D325 IonicContact NH2-OD2 2.9Å; R278-D325 PolarHBondContact NH2-OD2 3.26Å
279	L	74	Confident	83.3	Confident	22 Å²	22	40.6 Å²	40.6	12%	0.115	19%	0.192	C	C	.	.			trans	-68.1	119.1	168.5	-170.9	69	0	0	0	110.6	T281 N318 C322 Q323 I324 F509	L279-T281 HydrophobicContact CD2-CG2 4.12Å; L279-T281 HydrophobicContact CG-CG2 4.19Å; L279-N318 HydrophobicContact CD1-CB 3.88Å; L279-C322 HydrophobicContact CB-CB 4.04Å; L279-C322 HydrophobicContact CD1-CB 4.24Å; L279-Q323 PolarHBondContact N-O 3.49Å; L279-I324 HydrophobicContact CD2-CG1 4.33Å; L279-F509 HydrophobicContact CD1-CD1 4.35Å; L279-F509 HydrophobicContact CD1-CD2 4.19Å; L279-F509 HydrophobicContact CD1-CE1 3.86Å; L279-F509 HydrophobicContact CD1-CE2 3.7Å; L279-F509 HydrophobicContact CD1-CG 4.5Å; L279-F509 HydrophobicContact CD1-CZ 3.51Å; L279-F509 HydrophobicContact CD2-CE2 4.21Å; L279-F509 HydrophobicContact CD2-CZ 3.73Å; L279-F509 HydrophobicContact CG-CZ 4.27Å
280	I	80.6	Confident	83.6	Confident	2 Å²	2	40.6 Å²	40.6	1%	0.01	19%	0.192	C	C	.	.			trans	-85.9	114.4	173.9	-58.9	-64	0	0	0	108.6	V268 L271 W272 R278 F284 I308 N318	V268-I280 HydrophobicContact CG1-CG2 4.4Å; L271-I280 HydrophobicContact CB-CD1 4.07Å; W272-I280 HydrophobicContact CB-CD1 4.48Å; W272-I280 HydrophobicContact CB-CG1 3.8Å; W272-I280 HydrophobicContact CG-CG1 4.13Å; R278-I280 PolarHBondContact O-N 3.49Å; I280-F284 HydrophobicContact CD1-CD1 3.51Å; I280-F284 HydrophobicContact CD1-CE1 3.47Å; I280-F284 VanDerWaalsContact CD1-CE1 3.47Å; I280-F284 HydrophobicContact CG2-CD1 4.48Å; I280-I308 HydrophobicContact CG2-CD1 3.93Å; I280-I308 HydrophobicContact CG2-CG1 4.27Å; I280-I308 WeakPolarHBondContact O-CG2 3.36Å; I280-N318 WeakPolarHBondContact CB-OD1 3.49Å; I280-N318 PolarHBondContact N-OD1 3.03Å; I280-N318 PolarHBondContact O-ND2 3.21Å
281	T	81.7	Confident	83.9	Confident	31 Å²	31	40.2 Å²	40.2	19%	0.19	19%	0.189	C	C	.	.			trans	-107.5	159.3	176.7	66.3	0	0	0	0	110.8	L279 K283 F284 A285	L279-T281 HydrophobicContact CD2-CG2 4.12Å; L279-T281 HydrophobicContact CG-CG2 4.19Å; T281-K283 PolarHBondContact O-N 2.97Å; T281-F284 PolarHBondContact O-N 3.29Å; T281-F284 WeakPolarHBondContact OG1-CB 3.44Å; T281-F284 PolarHBondContact OG1-N 3.43Å; T281-A285 PolarHBondContact O-N 2.97Å
282	G	83.7	Confident	84.2	Confident	19 Å²	19	40.5 Å²	40.5	20%	0.196	19%	0.19	C	C	.	.	H	α-helix	trans	-55.3	-38	175	0	0	0	0	0	112.6	A286	G282-A286 WeakPolarHBondContact O-CB 3.47Å; G282-A286 PolarHBondContact O-N 2.94Å
283	K	85.9	Confident	84.8	Confident	98 Å²	98	40 Å²	40	43%	0.426	19%	0.188	S	C	.	.	H	α-helix	trans	-63.6	-45.7	174.5	-174.8	179.8	177.9	-172.9	0	111.9	T281 A286 N287	T281-K283 PolarHBondContact O-N 2.97Å; K283-A286 PolarHBondContact O-N 2.92Å; K283-N287 PolarHBondContact O-N 3.23Å; K283-N287 PolarHBondContact O-ND2 3.39Å; K283-N287 PolarHBondContact O-OD1 3.16Å
284	F	87.9	Confident	85.5	Confident	28 Å²	28	37.8 Å²	37.8	12%	0.123	18%	0.178	C	C	.	.	H	α-helix	trans	-63.7	-46.2	178.9	-179.7	-106.9	0	0	0	112.3	L271 R278 I280 T281 N287 H288	L271-F284 HydrophobicContact CB-CE1 4.25Å; L271-F284 HydrophobicContact CD1-CE1 4.38Å; L271-F284 HydrophobicContact CD2-CE1 4.07Å; L271-F284 HydrophobicContact CD2-CZ 4.41Å; L271-F284 HydrophobicContact CG-CE1 4.47Å; R278-F284 VanDerWaalsContact NH2-CE2 3.31Å; I280-F284 HydrophobicContact CD1-CD1 3.51Å; I280-F284 HydrophobicContact CD1-CE1 3.47Å; I280-F284 VanDerWaalsContact CD1-CE1 3.47Å; I280-F284 HydrophobicContact CG2-CD1 4.48Å; T281-F284 PolarHBondContact O-N 3.29Å; T281-F284 WeakPolarHBondContact OG1-CB 3.44Å; T281-F284 PolarHBondContact OG1-N 3.43Å; F284-N287 WeakPolarHBondContact O-CB 3.23Å; F284-N287 PolarHBondContact O-N 2.85Å; F284-H288 AromaticContact CD2-CE1 3.98Å; F284-H288 AromaticContact CE2-CE1 3.35Å; F284-H288 WeakPolarHBondContact CE2-CE1 3.3Å; F284-H288 AromaticContact CZ-CE1 3.43Å; F284-H288 VanDerWaalsContact CZ-CE1 3.43Å; F284-H288 WeakPolarHBondContact CZ-CE1 3.3Å; F284-H288 PolarHBondContact O-ND1 3.07Å
285	A	91.1	Very high	86.2	Confident	0 Å²	0	29.5 Å²	29.5	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-65.5	-40.1	176.4	0	0	0	0	0	112	V268 L271 T281 N287 H288 C289 I304 I308	V268-A285 HydrophobicContact CG2-CB 4.25Å; L271-A285 HydrophobicContact CD1-CB 4.14Å; T281-A285 PolarHBondContact O-N 2.97Å; A285-N287 PolarHBondContact O-N 3.11Å; A285-H288 CarbonylContact O-C 3.42Å; A285-H288 PolarHBondContact O-N 2.86Å; A285-C289 PolarHBondContact O-N 3.19Å; A285-I304 HydrophobicContact CB-CG2 3.49Å; A285-I304 VanDerWaalsContact CB-CG2 3.49Å; A285-I308 HydrophobicContact CB-CD1 3.92Å
286	A	91.4	Very high	87.2	Confident	11 Å²	11	26.6 Å²	26.6	9%	0.091	13%	0.131	C	C	.	.	H	α-helix	trans	-61	-28.6	174.5	0	0	0	0	0	113.2	G282 K283 H288 C289 R296 C300	G282-A286 WeakPolarHBondContact O-CB 3.47Å; G282-A286 PolarHBondContact O-N 2.94Å; K283-A286 PolarHBondContact O-N 2.92Å; A286-H288 PolarHBondContact O-N 3.21Å; A286-C289 PolarHBondContact O-N 3.26Å; A286-R296 PolarHBondContact O-NH2 2.89Å; A286-C300 HydrophobicContact CB-CB 3.94Å
287	N	91.3	Very high	88.5	Confident	33 Å²	33	24.6 Å²	24.6	18%	0.176	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69	-19.1	174.4	-69.1	-16.8	0	0	0	113.7	P144 K283 F284 A285 F290	P144-N287 HydrophobicContact CB-CB 4.12Å; P144-N287 WeakPolarHBondContact CB-OD1 3.41Å; K283-N287 PolarHBondContact O-N 3.23Å; K283-N287 PolarHBondContact O-ND2 3.39Å; K283-N287 PolarHBondContact O-OD1 3.16Å; F284-N287 WeakPolarHBondContact O-CB 3.23Å; F284-N287 PolarHBondContact O-N 2.85Å; A285-N287 PolarHBondContact O-N 3.11Å; N287-F290 WeakPolarHBondContact O-CZ 3.33Å
288	H	92	Very high	89.7	Confident	62 Å²	62	19.9 Å²	19.9	29%	0.287	10%	0.098	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.2	-2.7	176.6	-60.9	81.4	0	0	0	112.3	L267 L271 F284 A285 A286 F290	L267-H288 HydrophobicContact CD1-CB 3.95Å; L271-H288 HydrophobicContact CD1-CB 3.97Å; L271-H288 HydrophobicContact CD2-CB 4.08Å; F284-H288 AromaticContact CD2-CE1 3.98Å; F284-H288 AromaticContact CE2-CE1 3.35Å; F284-H288 WeakPolarHBondContact CE2-CE1 3.3Å; F284-H288 AromaticContact CZ-CE1 3.43Å; F284-H288 VanDerWaalsContact CZ-CE1 3.43Å; F284-H288 WeakPolarHBondContact CZ-CE1 3.3Å; F284-H288 PolarHBondContact O-ND1 3.07Å; A285-H288 CarbonylContact O-C 3.42Å; A285-H288 PolarHBondContact O-N 2.86Å; A286-H288 PolarHBondContact O-N 3.21Å; H288-F290 PolarHBondContact O-N 3.43Å
289	C	93.7	Very high	90.5	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	8%	0.084	C	C	.	.			trans	-87.8	96.7	176.7	-173.1	0	0	0	0	110.7	L267 A285 A286 R296 I304	L267-C289 HydrophobicContact CD2-CB 4.03Å; A285-C289 PolarHBondContact O-N 3.19Å; A286-C289 PolarHBondContact O-N 3.26Å; C289-R296 PolarHBondContact O-NE 3.27Å; C289-I304 HydrophobicContact CB-CD1 3.79Å
290	F	94	Very high	91.5	Very high	9 Å²	9	15.8 Å²	15.8	4%	0.039	8%	0.082	C	C	.	.	B	Isolated β-bridge	trans	-105.3	91.8	175.1	-61.5	-82.6	0	0	0	111.3	W116 V135 P144 Q189 A190 L212 N287 H288	W116-F290 HydrophobicContact CH2-CB 4.16Å; W116-F290 HydrophobicContact CZ3-CB 4.06Å; V135-F290 HydrophobicContact CG1-CD1 3.67Å; V135-F290 HydrophobicContact CG1-CE1 3.54Å; P144-F290 HydrophobicContact CG-CE1 3.96Å; P144-F290 HydrophobicContact CG-CZ 4.2Å; Q189-F290 HydrophobicContact CB-CB 4.35Å; Q189-F290 PolarHBondContact N-O 3.18Å; A190-F290 HydrophobicContact CB-CD2 4.48Å; L212-F290 HydrophobicContact CD1-CD1 4.11Å; L212-F290 HydrophobicContact CD1-CD2 3.92Å; L212-F290 HydrophobicContact CD1-CE1 4.22Å; L212-F290 HydrophobicContact CD1-CE2 4.03Å; L212-F290 HydrophobicContact CD1-CG 3.96Å; L212-F290 HydrophobicContact CD1-CZ 4.19Å; L212-F290 HydrophobicContact CD2-CB 3.72Å; L212-F290 HydrophobicContact CD2-CD1 4.02Å; L212-F290 HydrophobicContact CD2-CG 3.84Å; N287-F290 WeakPolarHBondContact O-CZ 3.33Å; H288-F290 PolarHBondContact O-N 3.43Å
291	V	94.2	Very high	92.2	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	9%	0.094	C	C	.	.			trans	-123.5	144	171.3	-176.4	0	0	0	0	108.3	W116 A186 L188 L295 R296 L299	W116-V291 WeakPolarHBondContact CZ3-O 3.46Å; A186-V291 HydrophobicContact CB-CG1 3.96Å; L188-V291 HydrophobicContact CB-CG2 4.1Å; L188-V291 HydrophobicContact CD1-CG2 3.53Å; L188-V291 HydrophobicContact CG-CG2 4.43Å; V291-L295 HydrophobicContact CG1-CD2 4.04Å; V291-L295 HydrophobicContact CG1-CG 4.36Å; V291-R296 HydrophobicContact CB-CB 4.47Å; V291-R296 WeakPolarHBondContact O-CB 3.4Å; V291-R296 WeakPolarHBondContact O-CD 3.1Å; V291-L299 HydrophobicContact CB-CD1 4.42Å; V291-L299 HydrophobicContact CG2-CD1 3.92Å
292	R	94.5	Very high	92.5	Very high	17 Å²	17	19.8 Å²	19.8	6%	0.064	10%	0.099	C	C	.	.			trans	-85.3	157.2	175.1	-69.7	174.7	175.7	-96.8	6.1	111.9	A111 Q112 L114 W116 A186	A111-R292 WeakPolarHBondContact O-CD 3.39Å; A111-R292 PolarHBondContact O-NE 2.64Å; A111-R292 VanDerWaalsContact O-NE 3.13Å; Q112-R292 PolarHBondContact O-NH1 3.07Å; Q112-R292 PolarHBondContact O-NH2 3.39Å; L114-R292 HydrophobicContact CB-CB 3.69Å; L114-R292 WeakPolarHBondContact O-CD 3.32Å; L114-R292 PolarHBondContact O-NH1 2.99Å; W116-R292 HydrophobicContact CD2-CG 3.82Å; W116-R292 HydrophobicContact CE3-CG 3.89Å; W116-R292 HydrophobicContact CH2-CG 3.73Å; W116-R292 HydrophobicContact CZ2-CG 3.65Å; W116-R292 HydrophobicContact CZ3-CG 3.85Å; A186-R292 HydrophobicContact CB-CB 3.8Å; A186-R292 WeakPolarHBondContact CB-O 3.22Å
293	G	95.4	Very high	92.8	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	10%	0.095	C	C	.	.	S	Bend	trans	82.3	179.8	177.7	0	0	0	0	0	113.5	E53 P115 W117 L295 R296	E53-G293 WeakPolarHBondContact OE1-CA 3.22Å; P115-G293 WeakPolarHBondContact O-CA 3.41Å; P115-G293 PolarHBondContact O-N 3.01Å; W117-G293 VanDerWaalsContact CD1-C 3.47Å; G293-L295 PolarHBondContact O-N 3.29Å; G293-R296 PolarHBondContact O-N 3.01Å
294	L	95.4	Very high	93.1	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	7%	0.074	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-20.9	179	-71	167.4	0	0	0	112.8	L51 E53 W117 R167 V171 F178 R296 I297	L51-L294 VanDerWaalsContact O-CD1 3.22Å; L51-L294 WeakPolarHBondContact O-CD1 3.41Å; E53-L294 HydrophobicContact CG-CD1 4.03Å; E53-L294 HydrophobicContact CG-CG 4.47Å; E53-L294 PolarHBondContact OE1-N 2.85Å; W117-L294 HydrophobicContact CD2-CD2 4.24Å; W117-L294 HydrophobicContact CH2-CD2 4.03Å; W117-L294 HydrophobicContact CZ2-CD2 3.52Å; W117-L294 HydrophobicContact CZ2-CG 4.31Å; R167-L294 HydrophobicContact CB-CD1 3.83Å; R167-L294 HydrophobicContact CB-CD2 4.15Å; V171-L294 HydrophobicContact CG2-CB 4.33Å; V171-L294 HydrophobicContact CG2-CD1 4.22Å; F178-L294 HydrophobicContact CE2-CB 3.65Å; F178-L294 HydrophobicContact CE2-CD1 4.22Å; F178-L294 HydrophobicContact CZ-CB 3.7Å; L294-R296 PolarHBondContact O-N 3.2Å; L294-I297 HydrophobicContact CD2-CD1 3.78Å; L294-I297 VanDerWaalsContact O-CB 3.3Å; L294-I297 WeakPolarHBondContact O-CB 3.44Å; L294-I297 PolarHBondContact O-N 2.82Å
295	L	95	Very high	93.1	Very high	4 Å²	4	16.7 Å²	16.7	2%	0.021	8%	0.084	C	C	.	.	H	α-helix	trans	-53.4	-37.3	175.2	176.7	59	0	0	0	112.4	F178 L179 M182 H185 L260 V291 G293 I297 V298 L299	F178-L295 HydrophobicContact CE1-CB 4.24Å; F178-L295 HydrophobicContact CE1-CD1 4.31Å; F178-L295 HydrophobicContact CZ-CB 4.45Å; L179-L295 HydrophobicContact CD2-CD1 4.34Å; M182-L295 HydrophobicContact CE-CD1 4.14Å; M182-L295 HydrophobicContact SD-CB 4.44Å; M182-L295 HydrophobicContact SD-CD1 3.92Å; M182-L295 HydrophobicContact SD-CD2 4.42Å; M182-L295 HydrophobicContact SD-CG 4.49Å; H185-L295 HydrophobicContact CB-CD2 3.72Å; L260-L295 HydrophobicContact CD1-CD2 4.07Å; L260-L295 HydrophobicContact CD2-CD1 4.04Å; L260-L295 HydrophobicContact CD2-CD2 3.69Å; L260-L295 HydrophobicContact CD2-CG 4.42Å; V291-L295 HydrophobicContact CG1-CD2 4.04Å; V291-L295 HydrophobicContact CG1-CG 4.36Å; G293-L295 PolarHBondContact O-N 3.29Å; L295-I297 PolarHBondContact O-N 3.37Å; L295-I297 VanDerWaalsContact O-N 3.17Å; L295-V298 PolarHBondContact O-N 3.08Å; L295-V298 VanDerWaalsContact O-N 3.13Å; L295-L299 HydrophobicContact CD1-CD1 4.44Å; L295-L299 HydrophobicContact CD1-CD2 4.24Å; L295-L299 HydrophobicContact CD1-CG 4.03Å; L295-L299 HydrophobicContact CG-CD1 4.06Å; L295-L299 HydrophobicContact CG-CG 4.12Å; L295-L299 WeakPolarHBondContact O-CG 3.36Å; L295-L299 PolarHBondContact O-N 3.37Å
296	R	95.9	Very high	92.8	Very high	6 Å²	6	20.5 Å²	20.5	2%	0.023	10%	0.102	C	C	.	.	H	α-helix	trans	-56.6	-34.9	177.2	-176.9	171.8	-178	-74.2	-15.7	112.4	W117 W126 A286 C289 V291 G293 L294 L299 C300	W117-R296 WeakPolarHBondContact O-CD 3.14Å; W117-R296 PolarHBondContact O-NH1 3.31Å; W126-R296 HydrophobicContact CH2-CG 4.43Å; W126-R296 HydrophobicContact CZ3-CG 4.38Å; A286-R296 PolarHBondContact O-NH2 2.89Å; C289-R296 PolarHBondContact O-NE 3.27Å; V291-R296 HydrophobicContact CB-CB 4.47Å; V291-R296 WeakPolarHBondContact O-CB 3.4Å; V291-R296 WeakPolarHBondContact O-CD 3.1Å; G293-R296 PolarHBondContact O-N 3.01Å; L294-R296 PolarHBondContact O-N 3.2Å; R296-L299 PolarHBondContact O-N 2.76Å; R296-C300 WeakPolarHBondContact O-CB 3.22Å; R296-C300 PolarHBondContact O-N 3.17Å; R296-C300 PolarHBondContact O-SG 3.19Å
297	I	96.2	Very high	92.6	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-65.5	-48.4	179.4	-52.6	-175.2	0	0	0	109.8	W117 W126 A168 V171 I172 L294 L295 L299 C300 E301	W117-I297 HydrophobicContact CB-CG1 4.32Å; W117-I297 HydrophobicContact CD2-CD1 4.07Å; W117-I297 HydrophobicContact CE3-CD1 3.88Å; W117-I297 HydrophobicContact CG-CD1 4.36Å; W117-I297 HydrophobicContact CZ3-CD1 4.42Å; W126-I297 HydrophobicContact CB-CD1 4.24Å; W126-I297 HydrophobicContact CD2-CB 4.47Å; W126-I297 HydrophobicContact CD2-CD1 4.16Å; W126-I297 HydrophobicContact CD2-CG1 3.87Å; W126-I297 HydrophobicContact CD2-CG2 4.13Å; W126-I297 HydrophobicContact CE3-CD1 4.14Å; W126-I297 HydrophobicContact CE3-CG1 3.65Å; W126-I297 HydrophobicContact CG-CD1 4.21Å; W126-I297 HydrophobicContact CG-CG1 4.41Å; W126-I297 HydrophobicContact CG-CG2 4.35Å; W126-I297 HydrophobicContact CH2-CG1 4.29Å; W126-I297 HydrophobicContact CZ2-CB 4.48Å; W126-I297 HydrophobicContact CZ2-CG2 4.23Å; W126-I297 HydrophobicContact CZ3-CG1 3.82Å; A168-I297 HydrophobicContact CB-CD1 3.66Å; V171-I297 HydrophobicContact CG1-CB 4.47Å; I172-I297 HydrophobicContact CD1-CG2 3.96Å; I172-I297 HydrophobicContact CG1-CG2 3.51Å; L294-I297 HydrophobicContact CD2-CD1 3.78Å; L294-I297 VanDerWaalsContact O-CB 3.3Å; L294-I297 WeakPolarHBondContact O-CB 3.44Å; L294-I297 PolarHBondContact O-N 2.82Å; L295-I297 PolarHBondContact O-N 3.37Å; L295-I297 VanDerWaalsContact O-N 3.17Å; I297-L299 VanDerWaalsContact C-N 3.33Å; I297-L299 PolarHBondContact O-N 2.95Å; I297-C300 PolarHBondContact O-N 3.01Å; I297-E301 HydrophobicContact CG2-CG 4.09Å; I297-E301 WeakPolarHBondContact O-CB 3.34Å; I297-E301 WeakPolarHBondContact O-CG 3.46Å; I297-E301 PolarHBondContact O-N 3.33Å
298	V	93.4	Very high	92.3	Very high	1 Å²	1	19.2 Å²	19.2	1%	0.006	9%	0.093	C	C	.	.	H	α-helix	trans	-61.1	-44	177.4	-178.6	0	0	0	0	111.3	V171 P175 F178 L179 L295 C300 H302 W303	V171-V298 HydrophobicContact CG1-CG2 3.15Å; P175-V298 HydrophobicContact CB-CG1 4.02Å; F178-V298 HydrophobicContact CD1-CG2 3.5Å; F178-V298 HydrophobicContact CE1-CG2 3.95Å; F178-V298 HydrophobicContact CG-CG2 4.19Å; L179-V298 HydrophobicContact CD1-CG1 4.4Å; L179-V298 HydrophobicContact CD2-CG1 4.33Å; L179-V298 HydrophobicContact CG-CG1 4.38Å; L295-V298 PolarHBondContact O-N 3.08Å; L295-V298 VanDerWaalsContact O-N 3.13Å; V298-C300 PolarHBondContact O-N 3.27Å; V298-H302 WeakPolarHBondContact O-CB 3.08Å; V298-H302 PolarHBondContact O-N 3.27Å; V298-W303 PolarHBondContact O-N 3.33Å
299	L	94.1	Very high	91.6	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	9%	0.094	C	C	.	.	I	π-helix	trans	-61.7	-45.9	179.2	-65.1	-178.6	0	0	0	111.8	L260 V264 V291 L295 R296 I297 W303 I304	L260-L299 HydrophobicContact CD1-CD1 4.3Å; V264-L299 HydrophobicContact CG2-CD1 4.02Å; V264-L299 HydrophobicContact CG2-CD2 4.05Å; V291-L299 HydrophobicContact CB-CD1 4.42Å; V291-L299 HydrophobicContact CG2-CD1 3.92Å; L295-L299 HydrophobicContact CD1-CD1 4.44Å; L295-L299 HydrophobicContact CD1-CD2 4.24Å; L295-L299 HydrophobicContact CD1-CG 4.03Å; L295-L299 HydrophobicContact CG-CD1 4.06Å; L295-L299 HydrophobicContact CG-CG 4.12Å; L295-L299 WeakPolarHBondContact O-CG 3.36Å; L295-L299 PolarHBondContact O-N 3.37Å; R296-L299 PolarHBondContact O-N 2.76Å; I297-L299 VanDerWaalsContact C-N 3.33Å; I297-L299 PolarHBondContact O-N 2.95Å; L299-W303 HydrophobicContact CD2-CB 4.17Å; L299-W303 HydrophobicContact CD2-CD2 3.8Å; L299-W303 HydrophobicContact CD2-CE3 3.44Å; L299-W303 VanDerWaalsContact CD2-CE3 3.44Å; L299-W303 HydrophobicContact CD2-CG 4.13Å; L299-W303 HydrophobicContact CD2-CZ3 4.15Å; L299-W303 PolarHBondContact O-N 3.13Å; L299-I304 VanDerWaalsContact O-CB 3.29Å; L299-I304 WeakPolarHBondContact O-CB 3.49Å; L299-I304 WeakPolarHBondContact O-CG1 3.33Å; L299-I304 PolarHBondContact O-N 3Å
300	C	95	Very high	90.8	Very high	11 Å²	11	21.3 Å²	21.3	7%	0.074	10%	0.103	C	C	.	.	I	π-helix	trans	-77.3	-34.3	-175.4	-63.5	0	0	0	0	113.7	W126 A286 R296 I297 V298 P305	W126-C300 HydrophobicContact CH2-CB 3.83Å; W126-C300 HydrophobicContact CZ2-CB 3.94Å; A286-C300 HydrophobicContact CB-CB 3.94Å; R296-C300 WeakPolarHBondContact O-CB 3.22Å; R296-C300 PolarHBondContact O-N 3.17Å; R296-C300 PolarHBondContact O-SG 3.19Å; I297-C300 PolarHBondContact O-N 3.01Å; V298-C300 PolarHBondContact O-N 3.27Å; C300-P305 WeakPolarHBondContact O-CD 3.28Å
301	E	93.5	Very high	90	Very high	55 Å²	55	20.9 Å²	20.9	26%	0.257	10%	0.101	S	C	.	.	I	π-helix	trans	-89.5	-26.9	-176.6	-61.6	-66.9	155.5	0	0	113	K119 W126 I172 I297	K119-E301 WeakPolarHBondContact CD-OE1 3.4Å; K119-E301 VanDerWaalsContact CE-OE1 3.3Å; K119-E301 WeakPolarHBondContact CE-OE1 3.27Å; K119-E301 VanDerWaalsContact NZ-CD 3.32Å; K119-E301 IonicContact NZ-OE1 3.08Å; K119-E301 PolarHBondContact NZ-OE1 3.42Å; K119-E301 IonicContact NZ-OE2 3.88Å; K119-E301 PolarHBondContact NZ-OE2 3.4Å; W126-E301 VanDerWaalsContact CE2-OE1 3.27Å; W126-E301 HydrophobicContact CZ2-CG 4Å; W126-E301 VanDerWaalsContact CZ2-OE1 3.29Å; W126-E301 WeakPolarHBondContact CZ2-OE1 3Å; W126-E301 PolarHBondContact NE1-OE1 2.86Å; I172-E301 HydrophobicContact CG1-CG 4.43Å; I297-E301 HydrophobicContact CG2-CG 4.09Å; I297-E301 WeakPolarHBondContact O-CB 3.34Å; I297-E301 WeakPolarHBondContact O-CG 3.46Å; I297-E301 PolarHBondContact O-N 3.33Å
302	H	89.2	Confident	88.8	Confident	62 Å²	62	21.5 Å²	21.5	29%	0.287	11%	0.105	S	C	.	.	I	π-helix	trans	-122.8	-57.9	-172.2	-61.1	-71.3	0	0	0	113.2	I172 V298 H306	I172-H302 PolarHBondContact O-CE1 2.83Å; I172-H302 PolarHBondContact O-NE2 2.95Å; V298-H302 WeakPolarHBondContact O-CB 3.08Å; V298-H302 PolarHBondContact O-N 3.27Å; H302-H306 WeakPolarHBondContact O-CB 3.25Å; H302-H306 PolarHBondContact O-N 2.94Å
303	W	89.5	Confident	87.2	Confident	30 Å²	30	23 Å²	23	11%	0.114	12%	0.117	C	C	.	.	I	π-helix	trans	-73	-50.3	-170.1	-74.7	18.1	0	0	0	113.9	L179 E253 L260 V298 L299 H306 L307	L179-W303 HydrophobicContact CD1-CZ2 3.67Å; L179-W303 HydrophobicContact CD2-CZ2 4.04Å; E253-W303 HydrophobicContact CB-CH2 4.42Å; E253-W303 HydrophobicContact CB-CZ2 3.68Å; L260-W303 HydrophobicContact CD2-CZ3 4.3Å; L260-W303 HydrophobicContact CG-CZ3 4.37Å; V298-W303 PolarHBondContact O-N 3.33Å; L299-W303 HydrophobicContact CD2-CB 4.17Å; L299-W303 HydrophobicContact CD2-CD2 3.8Å; L299-W303 HydrophobicContact CD2-CE3 3.44Å; L299-W303 VanDerWaalsContact CD2-CE3 3.44Å; L299-W303 HydrophobicContact CD2-CG 4.13Å; L299-W303 HydrophobicContact CD2-CZ3 4.15Å; L299-W303 PolarHBondContact O-N 3.13Å; W303-H306 PolarHBondContact O-N 2.78Å; W303-L307 VanDerWaalsContact O-CB 3.3Å; W303-L307 WeakPolarHBondContact O-CB 3.36Å; W303-L307 PolarHBondContact O-N 3.02Å
304	I	92.8	Very high	85.8	Confident	0 Å²	0	27.1 Å²	27.1	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-60.9	-46.3	-178.2	-73	171.2	0	0	0	111.3	V264 A285 C289 L299 L307 I308	V264-I304 HydrophobicContact CG1-CD1 4.29Å; V264-I304 HydrophobicContact CG1-CG1 3.56Å; A285-I304 HydrophobicContact CB-CG2 3.49Å; A285-I304 VanDerWaalsContact CB-CG2 3.49Å; C289-I304 HydrophobicContact CB-CD1 3.79Å; L299-I304 VanDerWaalsContact O-CB 3.29Å; L299-I304 WeakPolarHBondContact O-CB 3.49Å; L299-I304 WeakPolarHBondContact O-CG1 3.33Å; L299-I304 PolarHBondContact O-N 3Å; I304-L307 PolarHBondContact O-N 2.97Å; I304-I308 HydrophobicContact CG2-CD1 3.72Å; I304-I308 HydrophobicContact CG2-CG1 4.49Å; I304-I308 WeakPolarHBondContact O-CB 3.45Å; I304-I308 VanDerWaalsContact O-CG1 3.32Å; I304-I308 WeakPolarHBondContact O-CG1 3.39Å; I304-I308 PolarHBondContact O-N 3.37Å
305	P	86.7	Confident	84.2	Confident	50 Å²	50	27.3 Å²	27.3	33%	0.325	14%	0.135	S	C	.	.	H	α-helix	trans	-57.6	-47.8	174.9	-27	36.2	0	0	0	113.1	C300 L307 I308 E309	C300-P305 WeakPolarHBondContact O-CD 3.28Å; P305-L307 PolarHBondContact O-N 3.16Å; P305-I308 PolarHBondContact O-N 3.5Å; P305-E309 WeakPolarHBondContact O-CB 3.38Å; P305-E309 PolarHBondContact O-N 3.25Å
306	H	85.7	Confident	83.1	Confident	80 Å²	80	29 Å²	29	37%	0.37	14%	0.144	S	C	.	.	H	α-helix	trans	-64.5	-39.5	-180	-172.4	61	0	0	0	112.2	F251 H302 W303 E309 E310	F251-H306 AromaticContact CD1-CD2 3.73Å; F251-H306 AromaticContact CE1-CD2 3.41Å; F251-H306 VanDerWaalsContact CE1-CD2 3.41Å; F251-H306 WeakPolarHBondContact CE1-CD2 3.42Å; H302-H306 WeakPolarHBondContact O-CB 3.25Å; H302-H306 PolarHBondContact O-N 2.94Å; W303-H306 PolarHBondContact O-N 2.78Å; H306-E309 PolarHBondContact O-N 2.68Å; H306-E310 PolarHBondContact O-N 3.42Å
307	L	87.8	Confident	81.9	Confident	3 Å²	3	28.7 Å²	28.7	2%	0.016	14%	0.143	C	C	.	.	H	α-helix	trans	-63.8	-44.6	176.1	-169	151.4	0	0	0	111.9	F251 Y261 R265 V268 W303 I304 P305 E309 E310 F311	F251-L307 HydrophobicContact CE1-CB 4.04Å; F251-L307 HydrophobicContact CE1-CG 4.41Å; F251-L307 HydrophobicContact CZ-CB 4.17Å; F251-L307 HydrophobicContact CZ-CG 4.15Å; Y261-L307 HydrophobicContact CD2-CD1 4.38Å; Y261-L307 HydrophobicContact CE2-CD1 3.55Å; R265-L307 HydrophobicContact CB-CD1 3.85Å; R265-L307 HydrophobicContact CG-CD1 4.28Å; V268-L307 HydrophobicContact CB-CD2 3.79Å; V268-L307 HydrophobicContact CG1-CD2 3.82Å; V268-L307 HydrophobicContact CG2-CD2 3.92Å; W303-L307 VanDerWaalsContact O-CB 3.3Å; W303-L307 WeakPolarHBondContact O-CB 3.36Å; W303-L307 PolarHBondContact O-N 3.02Å; I304-L307 PolarHBondContact O-N 2.97Å; P305-L307 PolarHBondContact O-N 3.16Å; L307-E309 VanDerWaalsContact C-N 3.32Å; L307-E309 PolarHBondContact O-N 3.41Å; L307-E310 PolarHBondContact O-N 2.94Å; L307-F311 HydrophobicContact CD2-CD1 4.04Å; L307-F311 HydrophobicContact CD2-CD2 3.85Å; L307-F311 HydrophobicContact CD2-CE1 4.05Å; L307-F311 HydrophobicContact CD2-CE2 3.88Å; L307-F311 HydrophobicContact CD2-CG 3.97Å; L307-F311 HydrophobicContact CD2-CZ 4.01Å; L307-F311 HydrophobicContact CG-CD1 4.16Å; L307-F311 HydrophobicContact CG-CE1 3.97Å; L307-F311 HydrophobicContact CG-CZ 4.25Å; L307-F311 VanDerWaalsContact O-CB 3.28Å; L307-F311 WeakPolarHBondContact O-CB 3.46Å; L307-F311 VanDerWaalsContact O-CD1 3.24Å; L307-F311 WeakPolarHBondContact O-CD1 3.29Å; L307-F311 WeakPolarHBondContact O-CG 3.34Å; L307-F311 PolarHBondContact O-N 2.8Å
308	I	84.4	Confident	80.7	Confident	13 Å²	13	29 Å²	29	7%	0.067	14%	0.144	C	C	.	.	H	α-helix	trans	-63.4	-41.5	177.1	-72.3	166.9	0	0	0	110.8	V268 I280 A285 I304 P305 T312 I317	V268-I308 HydrophobicContact CG1-CG1 3.9Å; V268-I308 HydrophobicContact CG2-CG1 4.27Å; I280-I308 HydrophobicContact CG2-CD1 3.93Å; I280-I308 HydrophobicContact CG2-CG1 4.27Å; I280-I308 WeakPolarHBondContact O-CG2 3.36Å; A285-I308 HydrophobicContact CB-CD1 3.92Å; I304-I308 HydrophobicContact CG2-CD1 3.72Å; I304-I308 HydrophobicContact CG2-CG1 4.49Å; I304-I308 WeakPolarHBondContact O-CB 3.45Å; I304-I308 VanDerWaalsContact O-CG1 3.32Å; I304-I308 WeakPolarHBondContact O-CG1 3.39Å; I304-I308 PolarHBondContact O-N 3.37Å; P305-I308 PolarHBondContact O-N 3.5Å; I308-T312 VanDerWaalsContact O-CB 3.24Å; I308-T312 WeakPolarHBondContact O-CB 3.45Å; I308-T312 PolarHBondContact O-N 2.87Å; I308-T312 PolarHBondContact O-OG1 2.94Å; I308-I317 HydrophobicContact CB-CD1 4.32Å; I308-I317 HydrophobicContact CG1-CD1 4.23Å; I308-I317 HydrophobicContact CG2-CD1 4.15Å
309	E	77.3	Confident	79	Confident	67 Å²	67	30 Å²	30	31%	0.313	15%	0.15	S	C	.	.	H	α-helix	trans	-59.4	-54.2	176.7	179.8	174.7	-152.1	0	0	111.1	P305 H306 L307 F311 T312 C313 P408	P305-E309 WeakPolarHBondContact O-CB 3.38Å; P305-E309 PolarHBondContact O-N 3.25Å; H306-E309 PolarHBondContact O-N 2.68Å; L307-E309 VanDerWaalsContact C-N 3.32Å; L307-E309 PolarHBondContact O-N 3.41Å; E309-F311 VanDerWaalsContact C-N 3.34Å; E309-F311 PolarHBondContact O-N 2.94Å; E309-T312 PolarHBondContact O-N 2.88Å; E309-C313 WeakPolarHBondContact O-CB 3.49Å; E309-C313 PolarHBondContact O-N 3.34Å; E309-C313 PolarHBondContact O-SG 3.2Å; E309-P408 WeakPolarHBondContact OE1-CD 3.4Å; E309-P408 WeakPolarHBondContact OE1-CG 3.33Å
310	E	76.9	Confident	77.2	Confident	40 Å²	40	31 Å²	31	19%	0.187	16%	0.161	C	C	.	.	H	α-helix	trans	-61.1	-42.8	-179.6	-171.6	63.6	-163.5	0	0	111.5	W246 F251 H306 L307 T312 C313 R314	W246-E310 HydrophobicContact CZ3-CG 4.04Å; F251-E310 HydrophobicContact CE2-CG 4.24Å; F251-E310 HydrophobicContact CZ-CB 3.87Å; F251-E310 HydrophobicContact CZ-CG 4.09Å; H306-E310 PolarHBondContact O-N 3.42Å; L307-E310 PolarHBondContact O-N 2.94Å; E310-T312 VanDerWaalsContact C-N 3.32Å; E310-T312 PolarHBondContact O-N 3.17Å; E310-C313 PolarHBondContact O-N 2.91Å; E310-R314 WeakPolarHBondContact O-CB 3.33Å; E310-R314 WeakPolarHBondContact O-CG 3.37Å; E310-R314 PolarHBondContact O-N 3.25Å; E310-R314 IonicContact OE1-CZ 3.99Å; E310-R314 VanDerWaalsContact OE1-CZ 3.29Å; E310-R314 IonicContact OE1-NE 2.71Å; E310-R314 PolarHBondContact OE1-NE 2.83Å; E310-R314 IonicContact OE1-NH2 3.08Å; E310-R314 PolarHBondContact OE1-NH2 2.73Å
311	F	77.6	Confident	75.2	Confident	0 Å²	0	31.6 Å²	31.6	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-69.3	-33.3	-179.6	-79.2	32.3	0	0	0	111.6	W246 F251 R265 L269 L307 E309 G315 L316 I317	W246-F311 AromaticContact CH2-CD1 3.91Å; W246-F311 HydrophobicContact CH2-CD1 3.91Å; W246-F311 AromaticContact CH2-CE1 3.43Å; W246-F311 HydrophobicContact CH2-CE1 3.43Å; W246-F311 VanDerWaalsContact CH2-CE1 3.43Å; W246-F311 HydrophobicContact CH2-CZ 4.04Å; W246-F311 HydrophobicContact CZ3-CD1 4.34Å; W246-F311 AromaticContact CZ3-CE1 3.95Å; W246-F311 HydrophobicContact CZ3-CE1 3.95Å; F251-F311 HydrophobicContact CE2-CE1 4.28Å; F251-F311 HydrophobicContact CZ-CE1 4.44Å; R265-F311 HydrophobicContact CG-CE2 3.75Å; R265-F311 HydrophobicContact CG-CZ 3.44Å; R265-F311 VanDerWaalsContact CG-CZ 3.44Å; L269-F311 HydrophobicContact CD1-CE2 4.31Å; L269-F311 HydrophobicContact CD2-CD2 3.87Å; L269-F311 HydrophobicContact CD2-CE2 3.71Å; L269-F311 HydrophobicContact CG-CD2 4.44Å; L269-F311 HydrophobicContact CG-CE2 3.89Å; L307-F311 HydrophobicContact CD2-CD1 4.04Å; L307-F311 HydrophobicContact CD2-CD2 3.85Å; L307-F311 HydrophobicContact CD2-CE1 4.05Å; L307-F311 HydrophobicContact CD2-CE2 3.88Å; L307-F311 HydrophobicContact CD2-CG 3.97Å; L307-F311 HydrophobicContact CD2-CZ 4.01Å; L307-F311 HydrophobicContact CG-CD1 4.16Å; L307-F311 HydrophobicContact CG-CE1 3.97Å; L307-F311 HydrophobicContact CG-CZ 4.25Å; L307-F311 VanDerWaalsContact O-CB 3.28Å; L307-F311 WeakPolarHBondContact O-CB 3.46Å; L307-F311 VanDerWaalsContact O-CD1 3.24Å; L307-F311 WeakPolarHBondContact O-CD1 3.29Å; L307-F311 WeakPolarHBondContact O-CG 3.34Å; L307-F311 PolarHBondContact O-N 2.8Å; E309-F311 VanDerWaalsContact C-N 3.34Å; E309-F311 PolarHBondContact O-N 2.94Å; F311-G315 PolarHBondContact O-N 2.8Å; F311-L316 HydrophobicContact CB-CB 4.17Å; F311-L316 HydrophobicContact CB-CD1 4.38Å; F311-L316 HydrophobicContact CD1-CD1 4.16Å; F311-L316 HydrophobicContact CD2-CB 4.38Å; F311-L316 HydrophobicContact CD2-CD1 4.27Å; F311-L316 HydrophobicContact CE1-CD1 4.48Å; F311-L316 HydrophobicContact CG-CB 4.41Å; F311-L316 HydrophobicContact CG-CD1 4.03Å; F311-L316 WeakPolarHBondContact O-CB 3.34Å; F311-L316 PolarHBondContact O-N 3.33Å; F311-I317 HydrophobicContact CB-CD1 3.7Å; F311-I317 HydrophobicContact CB-CG1 3.71Å; F311-I317 HydrophobicContact CB-CG2 4.42Å; F311-I317 HydrophobicContact CD2-CG2 4.32Å; F311-I317 PolarHBondContact O-N 2.86Å
312	T	69.4	Low	73.7	Confident	13 Å²	13	29 Å²	29	8%	0.08	15%	0.152	C	C	.	.	H	α-helix	trans	-69.8	-45	173.5	-55.8	0	0	0	0	110.4	I308 E309 E310 R314 G315 N318 I358	I308-T312 VanDerWaalsContact O-CB 3.24Å; I308-T312 WeakPolarHBondContact O-CB 3.45Å; I308-T312 PolarHBondContact O-N 2.87Å; I308-T312 PolarHBondContact O-OG1 2.94Å; E309-T312 PolarHBondContact O-N 2.88Å; E310-T312 VanDerWaalsContact C-N 3.32Å; E310-T312 PolarHBondContact O-N 3.17Å; T312-R314 PolarHBondContact O-N 3.39Å; T312-G315 PolarHBondContact O-N 2.84Å; T312-N318 HydrophobicContact CG2-CB 3.87Å; T312-N318 PolarHBondContact OG1-ND2 3.23Å; T312-I358 HydrophobicContact CG2-CD1 3.44Å; T312-I358 VanDerWaalsContact CG2-CD1 3.44Å
313	C	60.6	Low	72.4	Confident	47 Å²	47	29.8 Å²	29.8	32%	0.318	16%	0.156	S	C	.	.	H	α-helix	trans	-63.1	-31.1	179	-66.8	0	0	0	0	112.6	E309 E310 H513	E309-C313 WeakPolarHBondContact O-CB 3.49Å; E309-C313 PolarHBondContact O-N 3.34Å; E309-C313 PolarHBondContact O-SG 3.2Å; E310-C313 PolarHBondContact O-N 2.91Å; C313-H513 PolarHBondContact O-CE1 2.95Å; C313-H513 PolarHBondContact O-ND1 3.24Å
314	R	65.6	Low	70.8	Confident	87 Å²	87	29.3 Å²	29.3	33%	0.328	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.9	3.1	174	-69.1	-179.2	-179.2	-91.9	-6.5	114.7	W246 E310 T312 L316 H513	W246-R314 VanDerWaalsContact CE3-CZ 3.42Å; W246-R314 VanDerWaalsContact CZ3-CD 3.48Å; E310-R314 WeakPolarHBondContact O-CB 3.33Å; E310-R314 WeakPolarHBondContact O-CG 3.37Å; E310-R314 PolarHBondContact O-N 3.25Å; E310-R314 IonicContact OE1-CZ 3.99Å; E310-R314 VanDerWaalsContact OE1-CZ 3.29Å; E310-R314 IonicContact OE1-NE 2.71Å; E310-R314 PolarHBondContact OE1-NE 2.83Å; E310-R314 IonicContact OE1-NH2 3.08Å; E310-R314 PolarHBondContact OE1-NH2 2.73Å; T312-R314 PolarHBondContact O-N 3.39Å; R314-L316 HydrophobicContact CB-CD1 4.01Å; R314-L316 HydrophobicContact CB-CG 3.91Å; R314-L316 PolarHBondContact O-N 3.42Å; R314-H513 WeakPolarHBondContact CA-CE1 3.24Å; R314-H513 PolarHBondContact O-CE1 3.29Å; R314-H513 PolarHBondContact O-NE2 3.18Å; R314-H513 VanDerWaalsContact O-NE2 3.08Å
315	G	62.5	Low	69	Low	5 Å²	5	32.1 Å²	32.1	5%	0.052	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.7	22.2	174.1	0	0	0	0	0	114.2	F311 T312 V319 P511 H513	F311-G315 PolarHBondContact O-N 2.8Å; T312-G315 PolarHBondContact O-N 2.84Å; G315-V319 VanDerWaalsContact C-CG2 3.45Å; G315-V319 WeakPolarHBondContact O-CG2 3.42Å; G315-P511 VanDerWaalsContact CA-CG 3.5Å; G315-H513 PolarHBondContact N-CE1 2.7Å; G315-H513 VanDerWaalsContact N-CE1 3.27Å
316	L	70.3	Confident	67.2	Low	39 Å²	39	34.3 Å²	34.3	20%	0.204	18%	0.184	C	C	.	.	S	Bend	trans	-86.2	-30.6	-179.3	-58	173.6	0	0	0	112.2	F238 W246 W272 F311 R314	F238-L316 HydrophobicContact CE1-CD1 4.4Å; F238-L316 HydrophobicContact CE2-CD2 3.99Å; F238-L316 HydrophobicContact CZ-CD1 3.65Å; F238-L316 HydrophobicContact CZ-CD2 3.74Å; F238-L316 HydrophobicContact CZ-CG 4.18Å; W246-L316 HydrophobicContact CH2-CD1 3.55Å; W246-L316 HydrophobicContact CZ2-CD1 3.61Å; W272-L316 WeakPolarHBondContact CZ3-O 3.28Å; F311-L316 HydrophobicContact CB-CB 4.17Å; F311-L316 HydrophobicContact CB-CD1 4.38Å; F311-L316 HydrophobicContact CD1-CD1 4.16Å; F311-L316 HydrophobicContact CD2-CB 4.38Å; F311-L316 HydrophobicContact CD2-CD1 4.27Å; F311-L316 HydrophobicContact CE1-CD1 4.48Å; F311-L316 HydrophobicContact CG-CB 4.41Å; F311-L316 HydrophobicContact CG-CD1 4.03Å; F311-L316 WeakPolarHBondContact O-CB 3.34Å; F311-L316 PolarHBondContact O-N 3.33Å; R314-L316 HydrophobicContact CB-CD1 4.01Å; R314-L316 HydrophobicContact CB-CG 3.91Å; R314-L316 PolarHBondContact O-N 3.42Å
317	I	71.5	Confident	65.3	Low	0 Å²	0	38 Å²	38	0%	0	20%	0.199	C	C	.	.	S	Bend	trans	-140.6	169	176.5	70.2	-179.8	0	0	0	109.7	V268 L269 W272 I308 F311 V319	V268-I317 HydrophobicContact CG1-CD1 3.69Å; L269-I317 HydrophobicContact CD2-CG2 4.11Å; W272-I317 HydrophobicContact CB-CB 4.17Å; W272-I317 HydrophobicContact CB-CG2 3.87Å; W272-I317 HydrophobicContact CD2-CB 3.88Å; W272-I317 HydrophobicContact CD2-CG2 3.95Å; W272-I317 HydrophobicContact CE3-CB 4.43Å; W272-I317 HydrophobicContact CE3-CG2 4.1Å; W272-I317 HydrophobicContact CG-CB 3.72Å; W272-I317 HydrophobicContact CG-CG2 3.84Å; I308-I317 HydrophobicContact CB-CD1 4.32Å; I308-I317 HydrophobicContact CG1-CD1 4.23Å; I308-I317 HydrophobicContact CG2-CD1 4.15Å; F311-I317 HydrophobicContact CB-CD1 3.7Å; F311-I317 HydrophobicContact CB-CG1 3.71Å; F311-I317 HydrophobicContact CB-CG2 4.42Å; F311-I317 HydrophobicContact CD2-CG2 4.32Å; F311-I317 PolarHBondContact O-N 2.86Å; I317-V319 WeakPolarHBondContact O-CG2 3.46Å; I317-V319 PolarHBondContact O-N 3.28Å
318	N	70.5	Confident	63.3	Low	5 Å²	5	40.4 Å²	40.4	3%	0.027	21%	0.213	C	C	.	.	S	Bend	trans	53.8	35.7	175.9	-63.2	-27.1	0	0	0	112.8	L279 I280 T312 F509	L279-N318 HydrophobicContact CD1-CB 3.88Å; I280-N318 WeakPolarHBondContact CB-OD1 3.49Å; I280-N318 PolarHBondContact N-OD1 3.03Å; I280-N318 PolarHBondContact O-ND2 3.21Å; T312-N318 HydrophobicContact CG2-CB 3.87Å; T312-N318 PolarHBondContact OG1-ND2 3.23Å; N318-F509 WeakPolarHBondContact O-CB 3.4Å
319	V	59.2	Low	61.2	Low	23 Å²	23	44.1 Å²	44.1	14%	0.139	23%	0.232	C	C	.	.			trans	-104.7	146.4	177.8	-176.7	0	0	0	0	109.9	G315 I317 P511	G315-V319 VanDerWaalsContact C-CG2 3.45Å; G315-V319 WeakPolarHBondContact O-CG2 3.42Å; I317-V319 WeakPolarHBondContact O-CG2 3.46Å; I317-V319 PolarHBondContact O-N 3.28Å; V319-P511 HydrophobicContact CG1-CG 4.38Å; V319-P511 HydrophobicContact CG2-CG 3.86Å
320	G	54.9	Low	59.1	Low	22 Å²	22	43.1 Å²	43.1	23%	0.227	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	80.9	-147.4	178.3	0	0	0	0	0	111.6	C322 I508 F509	G320-C322 PolarHBondContact O-N 2.88Å; G320-I508 WeakPolarHBondContact O-CA 3.39Å; G320-F509 PolarHBondContact N-O 2.92Å; G320-F509 PolarHBondContact O-N 3.39Å
321	V	53.2	Low	57.2	Low	23 Å²	23	46.3 Å²	46.3	14%	0.139	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	112	-175.4	-167	0	0	0	0	110.1	K277 L505 I508 L599 L603	K277-V321 WeakPolarHBondContact CA-O 3.29Å; V321-L505 HydrophobicContact CG1-CB 4.03Å; V321-L505 HydrophobicContact CG1-CD1 4.12Å; V321-L505 HydrophobicContact CG1-CD2 3.67Å; V321-L505 HydrophobicContact CG1-CG 4.13Å; V321-I508 HydrophobicContact CG2-CD1 4.09Å; V321-I508 HydrophobicContact CG2-CG1 4.07Å; V321-L599 HydrophobicContact CG2-CD2 4.4Å; V321-L603 HydrophobicContact CG2-CD1 3.64Å
322	C	62	Low	55.2	Low	0 Å²	0	52.5 Å²	52.5	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	126.6	178.6	-64.8	0	0	0	0	111	K277 L279 G320 I324 G507 F509	K277-C322 CarbonylContact O-C 3.53Å; K277-C322 WeakPolarHBondContact O-CA 3.35Å; L279-C322 HydrophobicContact CB-CB 4.04Å; L279-C322 HydrophobicContact CD1-CB 4.24Å; G320-C322 PolarHBondContact O-N 2.88Å; C322-I324 PolarHBondContact O-N 3.09Å; C322-G507 PolarHBondContact N-O 3.13Å; C322-F509 HydrophobicContact CB-CD2 3.86Å; C322-F509 HydrophobicContact CB-CE2 4.06Å
323	Q	61.8	Low	53.3	Low	78 Å²	78	55.5 Å²	55.5	36%	0.364	31%	0.308	S	S	.	.	B	Isolated β-bridge	trans	-70	120.2	166.8	-67.1	-179.1	-13.2	0	0	109	K277 L279 L505	K277-Q323 PolarHBondContact O-N 3Å; L279-Q323 PolarHBondContact N-O 3.49Å; Q323-L505 HydrophobicContact CG-CD2 3.96Å
324	I	56.1	Low	51.9	Low	20 Å²	20	60.4 Å²	60.4	10%	0.103	33%	0.331	C	S	.	.	P	Polyproline II helix	trans	-87	122.6	171.7	-56	171.6	0	0	0	107.4	L279 C322	L279-I324 HydrophobicContact CD2-CG1 4.33Å; C322-I324 PolarHBondContact O-N 3.09Å
325	D	56.1	Low	50.3	Low	60 Å²	60	63.9 Å²	63.9	32%	0.321	35%	0.351	S	S	.	.	P	Polyproline II helix	trans	-65.7	126.4	177.1	-158.9	-29.5	0	0	0	109.3	R278 F327 D328	R278-D325 IonicContact NH2-OD2 2.9Å; R278-D325 PolarHBondContact NH2-OD2 3.26Å; D325-F327 PolarHBondContact O-N 3.41Å; D325-D328 PolarHBondContact O-N 3.49Å
326	P	48	Very low	48.7	Very low	95 Å²	95	70.1 Å²	70.1	62%	0.617	38%	0.381	S	S	*	.	H	α-helix	trans	-54.7	-27.4	-179.5	-26.1	32.8	0	0	0	113.8	D328 L329 A330	P326-D328 PolarHBondContact O-N 2.95Å; P326-L329 WeakPolarHBondContact O-CB 3.43Å; P326-L329 PolarHBondContact O-N 3.43Å; P326-L329 VanDerWaalsContact O-N 3.09Å; P326-A330 PolarHBondContact O-N 3.32Å
327	F	46.2	Very low	46.8	Very low	157 Å²	157	74.5 Å²	74.5	69%	0.689	41%	0.41	S	S	*	.	H	α-helix	trans	-64.8	-23.7	177.1	-77.6	-78.3	0	0	0	114	D325 L329	D325-F327 PolarHBondContact O-N 3.41Å; F327-L329 VanDerWaalsContact C-N 3.35Å
328	D	45.1	Very low	44.7	Very low	54 Å²	54	81.7 Å²	81.7	29%	0.289	45%	0.454	S	S	.	.	H	α-helix	trans	-79.1	-21	174.8	-74.1	-23.5	0	0	0	111.8	D325 P326	D325-D328 PolarHBondContact O-N 3.49Å; P326-D328 PolarHBondContact O-N 2.95Å
329	L	40.3	Very low	42.7	Very low	92 Å²	92	84.1 Å²	84.1	48%	0.482	48%	0.48	S	S	.	.	H	α-helix	trans	-78	-36.6	174.3	-67.8	166.9	0	0	0	112.5	P326 F327 V331 E332	P326-L329 WeakPolarHBondContact O-CB 3.43Å; P326-L329 PolarHBondContact O-N 3.43Å; P326-L329 VanDerWaalsContact O-N 3.09Å; F327-L329 VanDerWaalsContact C-N 3.35Å; L329-V331 PolarHBondContact O-N 3.01Å; L329-V331 VanDerWaalsContact O-N 3.16Å; L329-E332 PolarHBondContact O-N 3.28Å
330	A	32.7	Very low	41.2	Very low	46 Å²	46	89.7 Å²	89.7	38%	0.38	51%	0.514	S	S	.	.	H	α-helix	trans	-61.7	-26.5	-174.6	0	0	0	0	0	113.8	P326 E332 S333	P326-A330 PolarHBondContact O-N 3.32Å; A330-E332 VanDerWaalsContact C-N 3.3Å; A330-E332 PolarHBondContact O-N 2.61Å; A330-S333 PolarHBondContact O-N 2.96Å; A330-S333 PolarHBondContact O-OG 3.26Å; A330-S333 VanDerWaalsContact O-OG 3.05Å
331	V	38.6	Very low	40	Very low	107 Å²	107	93.6 Å²	93.6	65%	0.648	54%	0.538	S	S	*	.	H	α-helix	trans	-70.2	-24.2	-179.2	-177.4	0	0	0	0	112.4	L329	L329-V331 PolarHBondContact O-N 3.01Å; L329-V331 VanDerWaalsContact O-N 3.16Å
332	E	34.9	Very low	38.8	Very low	129 Å²	129	102.3 Å²	102.3	60%	0.603	57%	0.574	S	S	*	*	H	α-helix	trans	-81.6	-26.6	175.5	-77.6	-174.4	164.4	0	0	112.5	L329 A330 K403	L329-E332 PolarHBondContact O-N 3.28Å; A330-E332 VanDerWaalsContact C-N 3.3Å; A330-E332 PolarHBondContact O-N 2.61Å; E332-K403 IonicContact OE1-NZ 3.31Å; E332-K403 PolarHBondContact OE1-NZ 2.73Å
333	S	29.8	Very low	37.2	Very low	76 Å²	76	110.9 Å²	110.9	53%	0.531	61%	0.614	S	S	.	*	H	α-helix	trans	-86.1	-22.4	-171.1	36.6	0	0	0	0	116.3	A330 Q335 I336	A330-S333 PolarHBondContact O-N 2.96Å; A330-S333 PolarHBondContact O-OG 3.26Å; A330-S333 VanDerWaalsContact O-OG 3.05Å; S333-Q335 PolarHBondContact O-N 2.92Å; S333-Q335 VanDerWaalsContact O-N 3.1Å; S333-I336 PolarHBondContact O-N 3.35Å
334	D	29.9	Very low	35.5	Very low	150 Å²	150	116.2 Å²	116.2	80%	0.802	64%	0.639	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.7	-0.5	-174	-90.5	-5.6	0	0	0	114.9
335	Q	32.4	Very low	34.1	Very low	160 Å²	160	125.1 Å²	125.1	75%	0.748	68%	0.677	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.2	-3.3	176.6	-72.7	-163.6	1.5	0	0	115.4	S333	S333-Q335 PolarHBondContact O-N 2.92Å; S333-Q335 VanDerWaalsContact O-N 3.1Å
336	I	30.1	Very low	32.6	Very low	136 Å²	136	130.9 Å²	130.9	70%	0.697	70%	0.702	S	S	*	*	S	Bend	trans	-145.9	72.5	-178.1	-44.5	174.4	0	0	0	111.8	S333	S333-I336 PolarHBondContact O-N 3.35Å
337	V	28.5	Very low	31.6	Very low	131 Å²	131	135.8 Å²	135.8	79%	0.794	72%	0.716	S	S	*	*			trans	-157.3	86.5	144.1	-169.9	0	0	0	0	109.6
338	T	28.7	Very low	30.7	Very low	151 Å²	151	136.8 Å²	136.8	93%	0.926	72%	0.723	S	S	*	*			trans	-104.9	106.2	151.9	41.6	0	0	0	0	108
339	G	27.1	Very low	29.7	Very low	56 Å²	56	139.6 Å²	139.6	58%	0.577	74%	0.737	S	S	*	*			trans	115.2	136.6	161.8	0	0	0	0	0	116
340	V	29.7	Very low	29.3	Very low	140 Å²	140	140.4 Å²	140.4	85%	0.848	75%	0.748	S	S	*	*			trans	96.6	89.8	160.8	-163.5	0	0	0	0	116.6
341	S	27.9	Very low	29.4	Very low	105 Å²	105	140.5 Å²	140.5	73%	0.734	75%	0.746	S	S	*	*			trans	45.5	118.1	140.6	52.2	0	0	0	0	121.3	E343	S341-E343 PolarHBondContact O-N 2.97Å
342	K	29.6	Very low	29.5	Very low	205 Å²	205	140.7 Å²	140.7	89%	0.891	74%	0.738	S	S	*	*			trans	-50.3	118.8	160	-62	170	175.7	178.3	0	111.3
343	E	26.7	Very low	29.7	Very low	181 Å²	181	137.1 Å²	137.1	85%	0.846	72%	0.72	S	S	*	*			trans	-158.4	114.6	146.6	-110.9	164.5	-154.3	0	0	110.2	S341	S341-E343 PolarHBondContact O-N 2.97Å
344	Q	26.4	Very low	30.2	Very low	190 Å²	190	134.8 Å²	134.8	89%	0.888	70%	0.701	S	S	*	*			trans	37.6	79.9	155	-58.5	-176.2	-5.5	0	0	118.4	Q346	Q344-Q346 PolarHBondContact O-N 3.45Å
345	K	27	Very low	30.9	Very low	207 Å²	207	128.2 Å²	128.2	90%	0.9	67%	0.666	S	S	*	*			trans	-87.1	100.6	157.4	-83.5	-176.1	176.2	179.7	0	110
346	Q	24.4	Very low	31.6	Very low	180 Å²	180	122.5 Å²	122.5	84%	0.841	64%	0.638	S	S	*	*			trans	-50.2	136.8	154.6	-74.6	170.9	-11.2	0	0	109.1	Q344 Q348	Q344-Q346 PolarHBondContact O-N 3.45Å; Q346-Q348 PolarHBondContact O-N 3.23Å
347	Q	26.7	Very low	32.5	Very low	198 Å²	198	116.4 Å²	116.4	93%	0.925	61%	0.606	S	S	*	*			trans	-58.6	92.3	-176.5	-71.7	161.9	-22.6	0	0	110.7
348	Q	27.4	Very low	33.3	Very low	179 Å²	179	111.2 Å²	111.2	84%	0.836	57%	0.574	S	S	*	*			trans	-81.7	119.2	166.8	-93.7	-179.3	-14.2	0	0	109.3	Q346 P350	Q346-Q348 PolarHBondContact O-N 3.23Å; Q348-P350 WeakPolarHBondContact O-CD 3.35Å
349	I	25.7	Very low	34.2	Very low	112 Å²	112	105.3 Å²	105.3	57%	0.574	54%	0.542	S	S	*	.			trans	-45.8	115	177.3	-63.7	149.2	0	0	0	111.1	L396	I349-L396 HydrophobicContact CD1-CD2 3.27Å
350	P	32.2	Very low	34.9	Very low	110 Å²	110	107.5 Å²	107.5	71%	0.714	54%	0.541	S	S	*	.			trans	-106.9	87.8	175.2	35	-22.2	0	0	0	109.7	Q348	Q348-P350 WeakPolarHBondContact O-CD 3.35Å
351	S	33.9	Very low	35.4	Very low	48 Å²	48	104.4 Å²	104.4	34%	0.336	53%	0.525	S	S	.	.			trans	-122.8	64.4	163.2	46.6	0	0	0	0	109.1	F353	S351-F353 PolarHBondContact O-N 3.45Å
352	K	40.2	Very low	36	Very low	111 Å²	111	102.7 Å²	102.7	48%	0.483	51%	0.508	S	S	.	.			trans	-68.2	95	170.4	-153.2	-174.5	-163.4	-170.4	0	107.4	P399 S401	K352-P399 HydrophobicContact CG-CB 4.39Å; K352-P399 HydrophobicContact CG-CG 4.21Å; K352-P399 WeakPolarHBondContact CG-O 3.33Å; K352-S401 WeakPolarHBondContact CD-OG 3.38Å; K352-S401 VanDerWaalsContact CE-CB 3.47Å; K352-S401 WeakPolarHBondContact CE-OG 3.43Å; K352-S401 PolarHBondContact NZ-OG 3.3Å; K352-S401 VanDerWaalsContact NZ-OG 3.12Å
353	F	39.1	Very low	36.3	Very low	53 Å²	53	99.5 Å²	99.5	23%	0.232	50%	0.5	C	S	.	.			trans	-65.1	133.5	169.1	-177.3	-95.1	0	0	0	108.5	S351 L355 L400 I508 V600	S351-F353 PolarHBondContact O-N 3.45Å; F353-L355 HydrophobicContact CE1-CB 4.49Å; F353-L400 HydrophobicContact CD1-CD1 4.08Å; F353-L400 VanDerWaalsContact O-CD1 3.29Å; F353-L400 WeakPolarHBondContact O-CD1 3.38Å; F353-I508 HydrophobicContact CE1-CG1 4.45Å; F353-I508 HydrophobicContact CE2-CD1 4.04Å; F353-I508 HydrophobicContact CE2-CG1 3.87Å; F353-I508 HydrophobicContact CZ-CB 4.19Å; F353-I508 HydrophobicContact CZ-CD1 3.45Å; F353-I508 VanDerWaalsContact CZ-CD1 3.45Å; F353-I508 HydrophobicContact CZ-CG1 3.46Å; F353-I508 VanDerWaalsContact CZ-CG1 3.46Å; F353-V600 HydrophobicContact CZ-CG2 4.24Å
354	Q	41.9	Very low	37	Very low	28 Å²	28	94.8 Å²	94.8	13%	0.131	48%	0.484	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	105.7	-175	-158.8	-177.6	16.9	0	0	110.4	R356 S401 S506 G507 I508	Q354-R356 HydrophobicContact CG-CG 4.29Å; Q354-R356 VanDerWaalsContact OE1-NE 3.16Å; Q354-S401 VanDerWaalsContact CG-O 3.26Å; Q354-S401 WeakPolarHBondContact CG-O 3.44Å; Q354-S506 WeakPolarHBondContact CB-O 3.41Å; Q354-S506 PolarHBondContact N-O 2.97Å; Q354-G507 CarbonylContact O-C 3.25Å; Q354-G507 WeakPolarHBondContact O-CA 3.49Å; Q354-I508 PolarHBondContact O-N 3.36Å; Q354-I508 VanDerWaalsContact O-N 3.12Å
355	L	44.2	Very low	37.8	Very low	11 Å²	11	85.9 Å²	85.9	6%	0.058	44%	0.443	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	122.3	170.3	-177.1	64.9	0	0	0	109.3	F353 I357 L372 I508 V510	F353-L355 HydrophobicContact CE1-CB 4.49Å; L355-I357 HydrophobicContact CG-CG1 4.4Å; L355-L372 HydrophobicContact CD2-CD1 3.64Å; L355-L372 HydrophobicContact CD2-CD2 4.09Å; L355-L372 HydrophobicContact CD2-CG 4.39Å; L355-I508 HydrophobicContact CD1-CB 3.94Å; L355-I508 HydrophobicContact CD1-CG2 4.02Å; L355-V510 HydrophobicContact CD1-CG2 4.2Å
356	R	46.5	Very low	38.4	Very low	41 Å²	41	78.7 Å²	78.7	16%	0.155	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	112.7	176.2	-65.1	-169.1	-170.6	-165.6	3.8	109.5	Q354 I508 F509 V510	Q354-R356 HydrophobicContact CG-CG 4.29Å; Q354-R356 VanDerWaalsContact OE1-NE 3.16Å; R356-I508 PolarHBondContact N-O 3.19Å; R356-F509 HydrophobicContact CB-CD1 4.06Å; R356-F509 HydrophobicContact CB-CE1 4.06Å; R356-F509 HydrophobicContact CG-CE1 4.4Å; R356-F509 HydrophobicContact CG-CZ 4.46Å; R356-F509 WeakPolarHBondContact O-CA 3.42Å; R356-V510 PolarHBondContact O-N 2.89Å
357	I	49.2	Very low	39.1	Very low	7 Å²	7	73.2 Å²	73.2	4%	0.036	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	125.3	174.8	-60	170.1	0	0	0	107.1	L355 T365 T368 I369 L372 L512	L355-I357 HydrophobicContact CG-CG1 4.4Å; I357-T365 HydrophobicContact CG2-CG2 4.44Å; I357-T368 HydrophobicContact CD1-CG2 4.07Å; I357-I369 HydrophobicContact CD1-CD1 4.42Å; I357-I369 HydrophobicContact CD1-CG1 3.69Å; I357-L372 HydrophobicContact CD1-CD1 4.1Å; I357-L512 HydrophobicContact CG2-CD1 3.55Å
358	I	44.4	Very low	39.9	Very low	23 Å²	23	64.2 Å²	64.2	12%	0.118	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	116.4	-178	-60	177.8	0	0	0	108.1	T312 F509 V510 L512	T312-I358 HydrophobicContact CG2-CD1 3.44Å; T312-I358 VanDerWaalsContact CG2-CD1 3.44Å; I358-F509 HydrophobicContact CD1-CD1 3.68Å; I358-F509 HydrophobicContact CD1-CE1 4.2Å; I358-V510 PolarHBondContact N-O 3.3Å; I358-L512 PolarHBondContact O-N 3.33Å
359	G	47.2	Very low	40.8	Very low	26 Å²	26	57.2 Å²	57.2	27%	0.268	33%	0.327	S	S	.	.	S	Bend	trans	170.7	170.8	-177.8	0	0	0	0	0	111.4	S361	G359-S361 PolarHBondContact O-N 3.27Å
360	D	42.6	Very low	41.5	Very low	103 Å²	103	58.5 Å²	58.5	55%	0.551	33%	0.325	S	S	*	.			trans	-62.9	133.3	175.7	-67.5	-38.6	0	0	0	110.4	D362 T365	D360-D362 VanDerWaalsContact C-N 3.34Å; D360-D362 PolarHBondContact O-N 3Å; D360-T365 PolarHBondContact O-OG1 2.96Å
361	S	40.1	Very low	42	Very low	74 Å²	74	55.2 Å²	55.2	52%	0.517	30%	0.299	S	S	.	.			trans	-74.1	87.4	-179.1	57.8	0	0	0	0	110.5	G359	G359-S361 PolarHBondContact O-N 3.27Å
362	D	40.2	Very low	42.5	Very low	69 Å²	69	53.3 Å²	53.3	37%	0.369	29%	0.286	S	S	.	.			trans	-111.8	178.2	176.7	73.6	-19	0	0	0	111.9	D360 T364 T365 A366	D360-D362 VanDerWaalsContact C-N 3.34Å; D360-D362 PolarHBondContact O-N 3Å; D362-T364 PolarHBondContact O-N 3.44Å; D362-T364 WeakPolarHBondContact OD1-CB 3.38Å; D362-T364 PolarHBondContact OD1-N 2.95Å; D362-T364 WeakPolarHBondContact OD2-CB 3.35Å; D362-T364 PolarHBondContact OD2-OG1 3.49Å; D362-T365 WeakPolarHBondContact O-CB 3.32Å; D362-T365 PolarHBondContact O-N 3.34Å; D362-T365 WeakPolarHBondContact OD1-CB 3.23Å; D362-T365 PolarHBondContact OD1-N 2.71Å; D362-T365 PolarHBondContact OD1-OG1 2.94Å; D362-A366 PolarHBondContact O-N 3.31Å
363	L	37.6	Very low	42.6	Very low	139 Å²	139	54.2 Å²	54.2	73%	0.728	29%	0.286	S	S	*	.	H	α-helix	trans	-58.7	-35.7	177.4	-176.2	64.3	0	0	0	111.5	T365 A366 V367	L363-T365 PolarHBondContact O-N 2.97Å; L363-A366 PolarHBondContact O-N 3.45Å; L363-V367 HydrophobicContact CD1-CG2 4.4Å; L363-V367 HydrophobicContact CG-CG2 4.36Å; L363-V367 VanDerWaalsContact O-CG2 3.31Å; L363-V367 WeakPolarHBondContact O-CG2 3.15Å; L363-V367 PolarHBondContact O-N 3.02Å
364	T	40.5	Very low	42.7	Very low	81 Å²	81	55.7 Å²	55.7	50%	0.497	30%	0.296	S	S	.	.	H	α-helix	trans	-58.3	-48.9	176.5	-40.2	0	0	0	0	110.7	D362 A366 V367 T368	D362-T364 PolarHBondContact O-N 3.44Å; D362-T364 WeakPolarHBondContact OD1-CB 3.38Å; D362-T364 PolarHBondContact OD1-N 2.95Å; D362-T364 WeakPolarHBondContact OD2-CB 3.35Å; D362-T364 PolarHBondContact OD2-OG1 3.49Å; T364-A366 VanDerWaalsContact C-N 3.34Å; T364-A366 PolarHBondContact O-N 3.36Å; T364-V367 PolarHBondContact O-N 3.02Å; T364-T368 VanDerWaalsContact O-CB 3.28Å; T364-T368 WeakPolarHBondContact O-CB 3.19Å; T364-T368 PolarHBondContact O-N 2.76Å; T364-T368 PolarHBondContact O-OG1 2.96Å; T364-T368 VanDerWaalsContact O-OG1 3.13Å
365	T	42.7	Very low	42.6	Very low	4 Å²	4	55.6 Å²	55.6	3%	0.025	30%	0.3	C	S	.	.	H	α-helix	trans	-58.8	-43.5	176.8	-57.4	0	0	0	0	111.7	I357 D360 D362 L363 I369 L404 L512	I357-T365 HydrophobicContact CG2-CG2 4.44Å; D360-T365 PolarHBondContact O-OG1 2.96Å; D362-T365 WeakPolarHBondContact O-CB 3.32Å; D362-T365 PolarHBondContact O-N 3.34Å; D362-T365 WeakPolarHBondContact OD1-CB 3.23Å; D362-T365 PolarHBondContact OD1-N 2.71Å; D362-T365 PolarHBondContact OD1-OG1 2.94Å; L363-T365 PolarHBondContact O-N 2.97Å; T365-I369 HydrophobicContact CG2-CD1 3.99Å; T365-I369 WeakPolarHBondContact O-CD1 3.16Å; T365-I369 VanDerWaalsContact O-CG1 3.24Å; T365-I369 WeakPolarHBondContact O-CG1 3.12Å; T365-I369 PolarHBondContact O-N 3.49Å; T365-L404 HydrophobicContact CG2-CD2 4.04Å; T365-L512 HydrophobicContact CG2-CD1 4.33Å; T365-L512 WeakPolarHBondContact OG1-CD1 3.45Å
366	A	39.6	Very low	42.5	Very low	56 Å²	56	58.2 Å²	58.2	46%	0.463	31%	0.314	S	S	.	.	H	α-helix	trans	-66.6	-41	179.1	0	0	0	0	0	113.3	D362 L363 T364 I369 R370	D362-A366 PolarHBondContact O-N 3.31Å; L363-A366 PolarHBondContact O-N 3.45Å; T364-A366 VanDerWaalsContact C-N 3.34Å; T364-A366 PolarHBondContact O-N 3.36Å; A366-I369 PolarHBondContact O-N 3.35Å; A366-R370 PolarHBondContact O-N 3.31Å; A366-R370 VanDerWaalsContact O-N 3.09Å
367	V	39.9	Very low	42.1	Very low	64 Å²	64	63 Å²	63	39%	0.388	33%	0.333	S	S	.	.	H	α-helix	trans	-66.2	-46.6	177.8	171	0	0	0	0	110.7	L363 T364 I369 R370 Q371	L363-V367 HydrophobicContact CD1-CG2 4.4Å; L363-V367 HydrophobicContact CG-CG2 4.36Å; L363-V367 VanDerWaalsContact O-CG2 3.31Å; L363-V367 WeakPolarHBondContact O-CG2 3.15Å; L363-V367 PolarHBondContact O-N 3.02Å; T364-V367 PolarHBondContact O-N 3.02Å; V367-I369 VanDerWaalsContact C-N 3.34Å; V367-I369 PolarHBondContact O-N 3.41Å; V367-R370 WeakPolarHBondContact O-CB 3.2Å; V367-R370 PolarHBondContact O-N 3.02Å; V367-R370 VanDerWaalsContact O-N 3.1Å; V367-Q371 WeakPolarHBondContact O-CG 3.3Å; V367-Q371 PolarHBondContact O-N 3.49Å
368	T	43.3	Very low	41.6	Very low	9 Å²	9	67.5 Å²	67.5	6%	0.055	36%	0.357	C	S	.	.	H	α-helix	trans	-53.5	-49	173.8	-77.2	0	0	0	0	112.1	I357 T364 R370 Q371 L372 W515	I357-T368 HydrophobicContact CD1-CG2 4.07Å; T364-T368 VanDerWaalsContact O-CB 3.28Å; T364-T368 WeakPolarHBondContact O-CB 3.19Å; T364-T368 PolarHBondContact O-N 2.76Å; T364-T368 PolarHBondContact O-OG1 2.96Å; T364-T368 VanDerWaalsContact O-OG1 3.13Å; T368-R370 VanDerWaalsContact C-N 3.3Å; T368-R370 PolarHBondContact O-N 3.47Å; T368-Q371 PolarHBondContact O-N 2.98Å; T368-L372 HydrophobicContact CG2-CD1 3.98Å; T368-L372 PolarHBondContact O-N 2.97Å; T368-W515 HydrophobicContact CG2-CE3 4.1Å; T368-W515 HydrophobicContact CG2-CH2 3.03Å; T368-W515 HydrophobicContact CG2-CZ2 3.93Å; T368-W515 HydrophobicContact CG2-CZ3 3.1Å; T368-W515 WeakPolarHBondContact OG1-CZ3 3.4Å
369	I	44.9	Very low	41.3	Very low	33 Å²	33	71.8 Å²	71.8	17%	0.169	38%	0.376	C	S	.	.	H	α-helix	trans	-59.9	-42.6	177.9	-73.6	166.4	0	0	0	110.7	I357 T365 A366 V367 Q371 W373 I402 L404	I357-I369 HydrophobicContact CD1-CD1 4.42Å; I357-I369 HydrophobicContact CD1-CG1 3.69Å; T365-I369 HydrophobicContact CG2-CD1 3.99Å; T365-I369 WeakPolarHBondContact O-CD1 3.16Å; T365-I369 VanDerWaalsContact O-CG1 3.24Å; T365-I369 WeakPolarHBondContact O-CG1 3.12Å; T365-I369 PolarHBondContact O-N 3.49Å; A366-I369 PolarHBondContact O-N 3.35Å; V367-I369 VanDerWaalsContact C-N 3.34Å; V367-I369 PolarHBondContact O-N 3.41Å; I369-Q371 VanDerWaalsContact C-N 3.34Å; I369-Q371 PolarHBondContact O-N 2.95Å; I369-W373 WeakPolarHBondContact O-CB 3.37Å; I369-W373 PolarHBondContact O-N 3.44Å; I369-I402 HydrophobicContact CD1-CG2 4.47Å; I369-I402 HydrophobicContact CG2-CD1 4.01Å; I369-L404 HydrophobicContact CD1-CD1 4.41Å; I369-L404 HydrophobicContact CD1-CD2 3.86Å; I369-L404 HydrophobicContact CD1-CG 4.39Å
370	R	42.2	Very low	40.7	Very low	139 Å²	139	74.7 Å²	74.7	53%	0.525	38%	0.383	S	S	.	.	H	α-helix	trans	-63.2	-39.8	178.5	178.8	61.8	69.9	168.3	5.1	112	A366 V367 T368 W373 N374	A366-R370 PolarHBondContact O-N 3.31Å; A366-R370 VanDerWaalsContact O-N 3.09Å; V367-R370 WeakPolarHBondContact O-CB 3.2Å; V367-R370 PolarHBondContact O-N 3.02Å; V367-R370 VanDerWaalsContact O-N 3.1Å; T368-R370 VanDerWaalsContact C-N 3.3Å; T368-R370 PolarHBondContact O-N 3.47Å; R370-W373 VanDerWaalsContact NH1-CE3 3.35Å; R370-W373 WeakPolarHBondContact O-CB 3.36Å; R370-W373 PolarHBondContact O-N 2.95Å; R370-N374 VanDerWaalsContact O-CG 3.28Å; R370-N374 PolarHBondContact O-N 3.32Å; R370-N374 PolarHBondContact O-OD1 3.05Å
371	Q	41.5	Very low	40.5	Very low	40 Å²	40	73.9 Å²	73.9	19%	0.187	38%	0.378	C	S	.	.	H	α-helix	trans	-70.1	-45.4	-179.1	-73.3	165.7	-12.4	0	0	112.3	V367 T368 I369 W373 N374 A375 I589	V367-Q371 WeakPolarHBondContact O-CG 3.3Å; V367-Q371 PolarHBondContact O-N 3.49Å; T368-Q371 PolarHBondContact O-N 2.98Å; I369-Q371 VanDerWaalsContact C-N 3.34Å; I369-Q371 PolarHBondContact O-N 2.95Å; Q371-W373 PolarHBondContact O-N 2.84Å; Q371-N374 PolarHBondContact O-N 3.23Å; Q371-N374 VanDerWaalsContact O-N 3.16Å; Q371-A375 PolarHBondContact O-N 3.36Å; Q371-I589 VanDerWaalsContact OE1-CG2 3.23Å
372	L	44.2	Very low	40.5	Very low	9 Å²	9	76 Å²	76	5%	0.047	38%	0.38	C	S	.	.	H	α-helix	trans	-54	-40.9	170.1	-82.4	156.7	0	0	0	111	L355 I357 T368 A375 L376 W515	L355-L372 HydrophobicContact CD2-CD1 3.64Å; L355-L372 HydrophobicContact CD2-CD2 4.09Å; L355-L372 HydrophobicContact CD2-CG 4.39Å; I357-L372 HydrophobicContact CD1-CD1 4.1Å; T368-L372 HydrophobicContact CG2-CD1 3.98Å; T368-L372 PolarHBondContact O-N 2.97Å; L372-A375 PolarHBondContact O-N 3.03Å; L372-L376 WeakPolarHBondContact O-CB 3.34Å; L372-L376 VanDerWaalsContact O-CG 3.27Å; L372-L376 WeakPolarHBondContact O-CG 3.32Å; L372-L376 PolarHBondContact O-N 2.77Å; L372-W515 HydrophobicContact CD1-CH2 4.37Å
373	W	42.3	Very low	40.3	Very low	130 Å²	130	76.5 Å²	76.5	49%	0.492	39%	0.385	S	S	.	.	H	α-helix	trans	-67.1	-42.8	178.8	-157.4	29.9	0	0	0	113	I369 R370 Q371 L376 Y377	I369-W373 WeakPolarHBondContact O-CB 3.37Å; I369-W373 PolarHBondContact O-N 3.44Å; R370-W373 VanDerWaalsContact NH1-CE3 3.35Å; R370-W373 WeakPolarHBondContact O-CB 3.36Å; R370-W373 PolarHBondContact O-N 2.95Å; Q371-W373 PolarHBondContact O-N 2.84Å; W373-L376 PolarHBondContact O-N 2.81Å; W373-Y377 WeakPolarHBondContact O-CB 3.38Å; W373-Y377 PolarHBondContact O-N 2.83Å
374	N	41.4	Very low	40.2	Very low	83 Å²	83	73.8 Å²	73.8	44%	0.444	37%	0.368	S	S	.	.	H	α-helix	trans	-62.9	-43	176.2	-70	-11.9	0	0	0	111.7	R370 Q371 Y377 L378	R370-N374 VanDerWaalsContact O-CG 3.28Å; R370-N374 PolarHBondContact O-N 3.32Å; R370-N374 PolarHBondContact O-OD1 3.05Å; Q371-N374 PolarHBondContact O-N 3.23Å; Q371-N374 VanDerWaalsContact O-N 3.16Å; N374-Y377 PolarHBondContact O-N 3.2Å; N374-L378 WeakPolarHBondContact O-CG 3.25Å; N374-L378 PolarHBondContact O-N 2.95Å
375	A	40.8	Very low	40	Very low	26 Å²	26	73.8 Å²	73.8	22%	0.215	37%	0.371	C	S	.	.	H	α-helix	trans	-63.5	-45.7	178.8	0	0	0	0	0	111.8	Q371 L372 Y377 L378 H379 V593 L597	Q371-A375 PolarHBondContact O-N 3.36Å; L372-A375 PolarHBondContact O-N 3.03Å; A375-Y377 VanDerWaalsContact C-N 3.33Å; A375-Y377 PolarHBondContact O-N 2.85Å; A375-L378 PolarHBondContact O-N 3.1Å; A375-H379 PolarHBondContact O-N 3.45Å; A375-V593 HydrophobicContact CB-CG1 4.2Å; A375-L597 HydrophobicContact CB-CD1 3.91Å
376	L	40.7	Very low	39.7	Very low	67 Å²	67	78.3 Å²	78.3	35%	0.351	40%	0.403	S	S	.	.	H	α-helix	trans	-64.3	-37.2	176.4	-69.3	173.5	0	0	0	112.3	L372 W373 H379 Q380 L400 L597	L372-L376 WeakPolarHBondContact O-CB 3.34Å; L372-L376 VanDerWaalsContact O-CG 3.27Å; L372-L376 WeakPolarHBondContact O-CG 3.32Å; L372-L376 PolarHBondContact O-N 2.77Å; W373-L376 PolarHBondContact O-N 2.81Å; L376-H379 PolarHBondContact O-N 3.47Å; L376-Q380 PolarHBondContact O-N 3.29Å; L376-L400 HydrophobicContact CD1-CD2 3.52Å; L376-L597 HydrophobicContact CD2-CD2 4.19Å
377	Y	39.1	Very low	39.3	Very low	141 Å²	141	83.5 Å²	83.5	55%	0.553	42%	0.418	S	S	*	.	H	α-helix	trans	-64.6	-45.3	175.1	-177.6	-98.6	0	0	0	112.3	W373 N374 A375 H379 Q380 L381	W373-Y377 WeakPolarHBondContact O-CB 3.38Å; W373-Y377 PolarHBondContact O-N 2.83Å; N374-Y377 PolarHBondContact O-N 3.2Å; A375-Y377 VanDerWaalsContact C-N 3.33Å; A375-Y377 PolarHBondContact O-N 2.85Å; Y377-H379 VanDerWaalsContact C-N 3.3Å; Y377-H379 PolarHBondContact O-N 2.93Å; Y377-Q380 PolarHBondContact O-N 3.19Å; Y377-L381 HydrophobicContact CD1-CD1 4.15Å; Y377-L381 HydrophobicContact CE1-CD1 3.7Å; Y377-L381 HydrophobicContact CE1-CG 4.5Å; Y377-L381 PolarHBondContact O-N 3.3Å
378	L	38.4	Very low	38.8	Very low	102 Å²	102	91.7 Å²	91.7	53%	0.534	44%	0.442	S	S	.	.	H	α-helix	trans	-60.5	-40.4	175.9	-74.3	167.3	0	0	0	111.4	N374 A375 L381 H382	N374-L378 WeakPolarHBondContact O-CG 3.25Å; N374-L378 PolarHBondContact O-N 2.95Å; A375-L378 PolarHBondContact O-N 3.1Å; L378-L381 WeakPolarHBondContact O-CB 3.41Å; L378-L381 PolarHBondContact O-N 2.89Å; L378-H382 PolarHBondContact O-CD2 3.35Å; L378-H382 PolarHBondContact O-N 3.16Å
379	H	38.1	Very low	38.3	Very low	113 Å²	113	97.2 Å²	97.2	52%	0.523	48%	0.476	S	S	.	.	H	α-helix	trans	-68.5	-36.3	177.9	-164.6	-93.7	0	0	0	112.8	A375 L376 Y377 L381 H382 V383	A375-H379 PolarHBondContact O-N 3.45Å; L376-H379 PolarHBondContact O-N 3.47Å; Y377-H379 VanDerWaalsContact C-N 3.3Å; Y377-H379 PolarHBondContact O-N 2.93Å; H379-L381 PolarHBondContact O-N 3.15Å; H379-H382 WeakPolarHBondContact O-CB 3.45Å; H379-H382 PolarHBondContact O-N 2.81Å; H379-H382 VanDerWaalsContact O-N 3.08Å; H379-V383 PolarHBondContact O-N 3.39Å
380	Q	35	Very low	37.6	Very low	86 Å²	86	104.4 Å²	104.4	40%	0.402	51%	0.508	S	S	.	.	H	α-helix	trans	-62.3	-33.5	174.5	-167.3	177.4	9.9	0	0	112.2	L376 Y377 Q384	L376-Q380 PolarHBondContact O-N 3.29Å; Y377-Q380 PolarHBondContact O-N 3.19Å; Q380-Q384 WeakPolarHBondContact O-CG 3.48Å; Q380-Q384 PolarHBondContact O-N 3.44Å
381	L	38.6	Very low	37.1	Very low	87 Å²	87	103.5 Å²	103.5	46%	0.455	52%	0.523	S	S	.	.	H	α-helix	trans	-67	-40.2	172	-72.7	165.8	0	0	0	111.6	Y377 L378 H379 Q384 S385	Y377-L381 HydrophobicContact CD1-CD1 4.15Å; Y377-L381 HydrophobicContact CE1-CD1 3.7Å; Y377-L381 HydrophobicContact CE1-CG 4.5Å; Y377-L381 PolarHBondContact O-N 3.3Å; L378-L381 WeakPolarHBondContact O-CB 3.41Å; L378-L381 PolarHBondContact O-N 2.89Å; H379-L381 PolarHBondContact O-N 3.15Å; L381-Q384 PolarHBondContact O-N 2.85Å; L381-S385 PolarHBondContact O-N 3.26Å; L381-S385 VanDerWaalsContact O-N 3.09Å; L381-S385 PolarHBondContact O-OG 2.79Å
382	H	38.8	Very low	36.6	Very low	119 Å²	119	110.4 Å²	110.4	55%	0.551	56%	0.556	S	S	*	*	H	α-helix	trans	-62.4	-43.9	177.1	-92.7	-110.5	0	0	0	113.2	L378 H379 Q384 S385 S386	L378-H382 PolarHBondContact O-CD2 3.35Å; L378-H382 PolarHBondContact O-N 3.16Å; H379-H382 WeakPolarHBondContact O-CB 3.45Å; H379-H382 PolarHBondContact O-N 2.81Å; H379-H382 VanDerWaalsContact O-N 3.08Å; H382-Q384 VanDerWaalsContact C-N 3.26Å; H382-Q384 PolarHBondContact O-N 3.06Å; H382-S385 WeakPolarHBondContact CA-OG 3.42Å; H382-S385 PolarHBondContact O-N 3.11Å; H382-S385 PolarHBondContact O-OG 3.41Å; H382-S386 PolarHBondContact O-N 3.18Å; H382-S386 PolarHBondContact O-OG 3.31Å
383	V	36.8	Very low	35.9	Very low	78 Å²	78	118.6 Å²	118.6	47%	0.473	59%	0.594	S	S	.	*	H	α-helix	trans	-64.3	-33.2	177.3	178.3	0	0	0	0	111.2	H379	H379-V383 PolarHBondContact O-N 3.39Å
384	Q	34.8	Very low	35.2	Very low	83 Å²	83	120.8 Å²	120.8	39%	0.388	61%	0.61	S	S	.	*	H	α-helix	trans	-74	-27.6	175.5	-70.3	-169.4	27.2	0	0	113.8	Q380 L381 H382	Q380-Q384 WeakPolarHBondContact O-CG 3.48Å; Q380-Q384 PolarHBondContact O-N 3.44Å; L381-Q384 PolarHBondContact O-N 2.85Å; H382-Q384 VanDerWaalsContact C-N 3.26Å; H382-Q384 PolarHBondContact O-N 3.06Å
385	S	37.5	Very low	34.5	Very low	80 Å²	80	123.2 Å²	123.2	56%	0.559	62%	0.616	S	S	*	*	H	α-helix	trans	-72.7	-28.4	174.8	46.9	0	0	0	0	113.3	L381 H382	L381-S385 PolarHBondContact O-N 3.26Å; L381-S385 VanDerWaalsContact O-N 3.09Å; L381-S385 PolarHBondContact O-OG 2.79Å; H382-S385 WeakPolarHBondContact CA-OG 3.42Å; H382-S385 PolarHBondContact O-N 3.11Å; H382-S385 PolarHBondContact O-OG 3.41Å
386	S	35.4	Very low	33.8	Very low	100 Å²	100	127.3 Å²	127.3	70%	0.699	63%	0.634	S	S	*	*	H	α-helix	trans	-81.9	-12	-176.6	-57.9	0	0	0	0	114.7	H382	H382-S386 PolarHBondContact O-N 3.18Å; H382-S386 PolarHBondContact O-OG 3.31Å
387	Q	30.9	Very low	33.1	Very low	165 Å²	165	132.7 Å²	132.7	77%	0.771	65%	0.651	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.7	33	176.8	-72.7	-170.9	-14.2	0	0	114.1	V389	Q387-V389 PolarHBondContact O-N 3.24Å
388	R	30.8	Very low	32.4	Very low	235 Å²	235	132.7 Å²	132.7	89%	0.887	65%	0.654	S	S	*	*			trans	-87	57.8	159.9	-102	-170.3	-178.8	178.9	2.7	111.2
389	V	33.1	Very low	31.8	Very low	126 Å²	126	131.7 Å²	131.7	76%	0.764	65%	0.653	S	S	*	*	S	Bend	trans	-136.5	96.2	154.7	-175.7	0	0	0	0	108	Q387	Q387-V389 PolarHBondContact O-N 3.24Å
390	Q	30.3	Very low	31.3	Very low	183 Å²	183	129.3 Å²	129.3	86%	0.855	64%	0.644	S	S	*	*	S	Bend	trans	24.5	96.5	153	-62.5	178.2	-2.6	0	0	117.8
391	S	30.3	Very low	31	Very low	120 Å²	120	126.6 Å²	126.6	84%	0.839	64%	0.635	S	S	*	*				173.7	148.6	119.6	41.9	0	0	0	0	108.9	Q393	S391-Q393 PolarHBondContact O-N 2.79Å
392	Q	31.9	Very low	30.8	Very low	185 Å²	185	125.2 Å²	125.2	86%	0.864	63%	0.627	S	S	*	*			trans	-50.4	122.8	-175.1	-62.1	164.4	-16.9	0	0	111.3
393	Q	29.6	Very low	30.5	Very low	181 Å²	181	122 Å²	122	85%	0.846	61%	0.611	S	S	*	*			trans	172.8	122.6	134.4	-92.8	157.7	15.6	0	0	112.6	S391	S391-Q393 PolarHBondContact O-N 2.79Å
394	Q	26.6	Very low	30.4	Very low	177 Å²	177	122.7 Å²	122.7	83%	0.827	61%	0.612	S	S	*	*			trans	36.2	99.3	149.3	-68.2	174.7	-12.3	0	0	118.5	L396	Q394-L396 PolarHBondContact O-N 2.83Å
395	K	27.5	Very low	30.4	Very low	133 Å²	133	122.4 Å²	122.4	58%	0.578	61%	0.612	S	S	*	*	P	Polyproline II helix	trans	-57.2	120.5	164.1	-69.3	-176.3	176.1	-171.2	0	110.4	Y397	K395-Y397 WeakPolarHBondContact O-CD2 3.49Å; K395-Y397 WeakPolarHBondContact O-CE2 3.25Å
396	L	25	Very low	30.2	Very low	113 Å²	113	121 Å²	121	59%	0.592	60%	0.602	S	S	*	*	P	Polyproline II helix	trans	-81.1	129.5	175.1	-79.6	155.6	0	0	0	110.7	I349 Q394	I349-L396 HydrophobicContact CD1-CD2 3.27Å; Q394-L396 PolarHBondContact O-N 2.83Å
397	Y	26.3	Very low	30	Very low	179 Å²	179	118 Å²	118	70%	0.702	58%	0.581	S	S	*	*	P	Polyproline II helix	trans	-102.7	130.3	177.8	-64.2	-91.9	0	0	0	109.2	K395	K395-Y397 WeakPolarHBondContact O-CD2 3.49Å; K395-Y397 WeakPolarHBondContact O-CE2 3.25Å
398	F	25.4	Very low	30.2	Very low	142 Å²	142	113.8 Å²	113.8	62%	0.623	57%	0.568	S	S	*	*			trans	-106.2	111.9	173.5	-66.3	-81.9	0	0	0	109.9	L400	F398-L400 PolarHBondContact O-N 2.84Å
399	P	25.5	Very low	30.4	Very low	80 Å²	80	106.6 Å²	106.6	52%	0.519	55%	0.553	S	S	.	*			trans	-74.1	122.1	169.9	25.2	-26.3	0	0	0	109.7	K352	K352-P399 HydrophobicContact CG-CB 4.39Å; K352-P399 HydrophobicContact CG-CG 4.21Å; K352-P399 WeakPolarHBondContact CG-O 3.33Å
400	L	28.2	Very low	30.4	Very low	63 Å²	63	102.2 Å²	102.2	33%	0.33	53%	0.527	S	S	.	.			trans	-96.6	134.1	165.4	176.7	72.3	0	0	0	108.2	F353 L376 F398 I402	F353-L400 HydrophobicContact CD1-CD1 4.08Å; F353-L400 VanDerWaalsContact O-CD1 3.29Å; F353-L400 WeakPolarHBondContact O-CD1 3.38Å; L376-L400 HydrophobicContact CD1-CD2 3.52Å; F398-L400 PolarHBondContact O-N 2.84Å; L400-I402 HydrophobicContact CD2-CD1 4.26Å; L400-I402 HydrophobicContact CD2-CG1 4.27Å; L400-I402 HydrophobicContact CG-CG1 4.33Å
401	S	28.4	Very low	30.4	Very low	29 Å²	29	97.6 Å²	97.6	20%	0.203	51%	0.511	C	S	.	.			trans	-122.9	120.9	171	44.1	0	0	0	0	110.9	K352 Q354	K352-S401 WeakPolarHBondContact CD-OG 3.38Å; K352-S401 VanDerWaalsContact CE-CB 3.47Å; K352-S401 WeakPolarHBondContact CE-OG 3.43Å; K352-S401 PolarHBondContact NZ-OG 3.3Å; K352-S401 VanDerWaalsContact NZ-OG 3.12Å; Q354-S401 VanDerWaalsContact CG-O 3.26Å; Q354-S401 WeakPolarHBondContact CG-O 3.44Å
402	I	33.2	Very low	30.4	Very low	59 Å²	59	95.7 Å²	95.7	30%	0.303	50%	0.497	S	S	.	.			trans	-99	120.7	175.2	-58.9	172.8	0	0	0	107	I369 L400	I369-I402 HydrophobicContact CD1-CG2 4.47Å; I369-I402 HydrophobicContact CG2-CD1 4.01Å; L400-I402 HydrophobicContact CD2-CD1 4.26Å; L400-I402 HydrophobicContact CD2-CG1 4.27Å; L400-I402 HydrophobicContact CG-CG1 4.33Å
403	K	32.7	Very low	30.3	Very low	50 Å²	50	91.4 Å²	91.4	22%	0.217	48%	0.48	C	S	.	.			trans	-113.1	110.5	177.4	-176.9	171	172.9	166.8	0	107.6	E332 L431	E332-K403 IonicContact OE1-NZ 3.31Å; E332-K403 PolarHBondContact OE1-NZ 2.73Å; K403-L431 HydrophobicContact CD-CD2 3.75Å; K403-L431 HydrophobicContact CG-CD2 3.92Å
404	L	35.3	Very low	30.1	Very low	93 Å²	93	86.8 Å²	86.8	49%	0.487	46%	0.46	S	S	.	.			trans	-77.3	127.3	171.8	-73.8	156.7	0	0	0	108.4	T365 I369 P406	T365-L404 HydrophobicContact CG2-CD2 4.04Å; I369-L404 HydrophobicContact CD1-CD1 4.41Å; I369-L404 HydrophobicContact CD1-CD2 3.86Å; I369-L404 HydrophobicContact CD1-CG 4.39Å; L404-P406 WeakPolarHBondContact O-CD 3.38Å
405	I	34.4	Very low	30.3	Very low	77 Å²	77	81.8 Å²	81.8	40%	0.395	45%	0.445	S	S	.	.			trans	-110.9	96	172.6	-57.6	172.7	0	0	0	105.7
406	P	33.1	Very low	30.3	Very low	52 Å²	52	79.9 Å²	79.9	34%	0.338	44%	0.444	S	S	.	.			trans	-67.1	140.8	174	26.6	-31.1	0	0	0	109.7	L404	L404-P406 WeakPolarHBondContact O-CD 3.38Å
407	S	32.4	Very low	30.4	Very low	37 Å²	37	82.6 Å²	82.6	26%	0.259	45%	0.452	S	S	.	.			trans	-55.3	141	175.2	172	0	0	0	0	111.5	S409 V410	S407-S409 PolarHBondContact O-N 2.93Å; S407-S409 VanDerWaalsContact O-N 3.11Å; S407-S409 PolarHBondContact OG-OG 3.41Å; S407-V410 PolarHBondContact O-N 2.99Å
408	P	34	Very low	30.6	Very low	76 Å²	76	77.7 Å²	77.7	49%	0.494	44%	0.44	S	S	.	.	G	3₁₀ helix	trans	-54.7	-27.9	178.3	-25.1	32.3	0	0	0	114.4	E309 V410 V411	E309-P408 WeakPolarHBondContact OE1-CD 3.4Å; E309-P408 WeakPolarHBondContact OE1-CG 3.33Å; P408-V410 PolarHBondContact O-N 3.32Å; P408-V411 PolarHBondContact O-N 3.33Å
409	S	34.7	Very low	30.7	Very low	83 Å²	83	77.6 Å²	77.6	58%	0.58	45%	0.447	S	S	*	.	G	3₁₀ helix	trans	-62.7	-20.1	176.6	49.3	0	0	0	0	113	S407 S412	S407-S409 PolarHBondContact O-N 2.93Å; S407-S409 VanDerWaalsContact O-N 3.11Å; S407-S409 PolarHBondContact OG-OG 3.41Å; S409-S412 PolarHBondContact O-OG 2.73Å
410	V	33.1	Very low	30.9	Very low	35 Å²	35	79.1 Å²	79.1	21%	0.212	46%	0.459	C	S	.	.	G	3₁₀ helix	trans	-99.6	-11.6	-176.5	-171.6	0	0	0	0	112.9	S407 P408 S412 I413 L414	S407-V410 PolarHBondContact O-N 2.99Å; P408-V410 PolarHBondContact O-N 3.32Å; V410-S412 PolarHBondContact O-N 3.42Å; V410-I413 HydrophobicContact CG1-CB 4.34Å; V410-I413 PolarHBondContact O-N 3.46Å; V410-L414 HydrophobicContact CG1-CD1 4.28Å; V410-L414 PolarHBondContact O-N 3.13Å; V410-L414 VanDerWaalsContact O-N 3.1Å
411	V	30.9	Very low	30.9	Very low	85 Å²	85	82.9 Å²	82.9	52%	0.515	48%	0.479	S	S	.	.	H	α-helix	trans	-62.5	-29.6	179.1	177.7	0	0	0	0	111.8	P408 I413	P408-V411 PolarHBondContact O-N 3.33Å; V411-I413 VanDerWaalsContact C-N 3.35Å
412	S	30.8	Very low	30.8	Very low	80 Å²	80	88.8 Å²	88.8	56%	0.559	51%	0.508	S	S	*	.	H	α-helix	trans	-64.7	-39.3	172.6	60.9	0	0	0	0	111.8	S409 V410 S415	S409-S412 PolarHBondContact O-OG 2.73Å; V410-S412 PolarHBondContact O-N 3.42Å; S412-S415 PolarHBondContact O-OG 3.16Å
413	I	29	Very low	30.5	Very low	96 Å²	96	92.6 Å²	92.6	49%	0.492	53%	0.529	S	S	.	.	H	α-helix	trans	-74.1	-37.2	-176.2	-57.3	176.3	0	0	0	111.4	V410 V411 S415 T416	V410-I413 HydrophobicContact CG1-CB 4.34Å; V410-I413 PolarHBondContact O-N 3.46Å; V411-I413 VanDerWaalsContact C-N 3.35Å; I413-S415 VanDerWaalsContact C-N 3.32Å; I413-S415 PolarHBondContact O-N 2.68Å; I413-T416 WeakPolarHBondContact O-CB 3.4Å; I413-T416 PolarHBondContact O-N 3.43Å; I413-T416 PolarHBondContact O-OG1 3.37Å
414	L	26.2	Very low	30.2	Very low	83 Å²	83	97.4 Å²	97.4	44%	0.435	56%	0.557	S	S	.	*	H	α-helix	trans	-69.5	-25.9	179.7	-97.6	148.5	0	0	0	113.9	V410 T416 F417 T418	V410-L414 HydrophobicContact CG1-CD1 4.28Å; V410-L414 PolarHBondContact O-N 3.13Å; V410-L414 VanDerWaalsContact O-N 3.1Å; L414-T416 PolarHBondContact O-N 3.48Å; L414-F417 PolarHBondContact O-N 3.35Å; L414-T418 PolarHBondContact O-OG1 2.68Å
415	S	29.2	Very low	29.8	Very low	72 Å²	72	98.4 Å²	98.4	50%	0.503	57%	0.572	S	S	.	*	H	α-helix	trans	-61.9	-30.2	173.2	74.1	0	0	0	0	112.1	S412 I413	S412-S415 PolarHBondContact O-OG 3.16Å; I413-S415 VanDerWaalsContact C-N 3.32Å; I413-S415 PolarHBondContact O-N 2.68Å
416	T	28.2	Very low	29.4	Very low	94 Å²	94	102.9 Å²	102.9	58%	0.577	60%	0.596	S	S	*	*	H	α-helix	trans	-70	-32.5	177.4	-13.1	0	0	0	0	112.8	I413 L414	I413-T416 WeakPolarHBondContact O-CB 3.4Å; I413-T416 PolarHBondContact O-N 3.43Å; I413-T416 PolarHBondContact O-OG1 3.37Å; L414-T416 PolarHBondContact O-N 3.48Å
417	F	28.2	Very low	29	Very low	170 Å²	170	105.3 Å²	105.3	75%	0.746	61%	0.614	S	S	*	*	H	α-helix	trans	-81.8	-17.5	-176.9	-96	-84.1	0	0	0	114.4	L414	L414-F417 PolarHBondContact O-N 3.35Å
418	T	28.7	Very low	28.6	Very low	75 Å²	75	110.3 Å²	110.3	46%	0.46	64%	0.637	S	S	.	*	T	Hydrogen-bonded Turn	trans	-98.6	1.9	-176.4	43.6	0	0	0	0	114.3	L414 S420 L421	L414-T418 PolarHBondContact O-OG1 2.68Å; T418-S420 PolarHBondContact O-N 3.46Å; T418-L421 PolarHBondContact O-N 3.06Å
419	N	28	Very low	28.2	Very low	141 Å²	141	114.3 Å²	114.3	75%	0.754	66%	0.655	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.2	-5.2	176	-83.6	-20.3	0	0	0	115.1
420	S	30.4	Very low	27.6	Very low	111 Å²	111	118.5 Å²	118.5	78%	0.776	66%	0.662	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.5	-2.3	169	92	0	0	0	0	114.4	T418	T418-S420 PolarHBondContact O-N 3.46Å
421	L	27.7	Very low	27.2	Very low	143 Å²	143	121.4 Å²	121.4	75%	0.749	68%	0.676	S	S	*	*	S	Bend	trans	-107.8	95.2	173.2	-77.8	154.8	0	0	0	109.7	T418 N423	T418-L421 PolarHBondContact O-N 3.06Å; L421-N423 PolarHBondContact O-N 3.29Å
422	N	26.6	Very low	26.7	Very low	153 Å²	153	122.4 Å²	122.4	82%	0.818	69%	0.694	S	S	*	*			trans	-30.4	122.7	175.1	-90.5	-33.8	0	0	0	114.8
423	N	26.4	Very low	26.3	Very low	138 Å²	138	126.7 Å²	126.7	74%	0.738	71%	0.705	S	S	*	*			trans	17.2	102.6	145.5	-66.2	-26.9	0	0	0	116.9	L421	L421-N423 PolarHBondContact O-N 3.29Å
424	N	26.9	Very low	25.9	Very low	152 Å²	152	129.8 Å²	129.8	81%	0.813	72%	0.722	S	S	*	*	S	Bend		179.1	123	112.9	-85.3	-31.5	0	0	0	111
425	S	26.2	Very low	25.7	Very low	114 Å²	114	134.2 Å²	134.2	80%	0.797	74%	0.742	S	S	*	*			trans	50.6	72	162.6	66.3	0	0	0	0	117.8	S427	S425-S427 PolarHBondContact O-N 3.13Å
426	L	26.1	Very low	25.3	Very low	171 Å²	171	135.8 Å²	135.8	90%	0.895	74%	0.744	S	S	*	*			trans	-90.7	83.3	159.5	-129.6	85.6	0	0	0	109.4
427	S	25	Very low	25	Very low	102 Å²	102	140.6 Å²	140.6	71%	0.713	76%	0.76	S	S	*	*			trans	-72.6	123	161.2	56.8	0	0	0	0	108.6	S425	S425-S427 PolarHBondContact O-N 3.13Å
428	N	24.6	Very low	24.8	Very low	142 Å²	142	140.6 Å²	140.6	76%	0.759	76%	0.76	S	S	*	*	S	Bend	trans	-22.1	138.6	176.2	-65	-19.4	0	0	0	116.5
429	N	25.4	Very low	24.4	Very low	160 Å²	160	142.6 Å²	142.6	86%	0.856	78%	0.777	S	S	*	*			trans	85.3	31.1	163.5	-56.4	-12.5	0	0	0	119.4
430	K	22.8	Very low	24.2	Very low	171 Å²	171	140.9 Å²	140.9	74%	0.743	78%	0.776	S	S	*	*			trans	-111.6	106.3	166.9	-76.2	-170.9	176.3	-178.1	0	113.6
431	L	23.2	Very low	23.9	Very low	96 Å²	96	143.8 Å²	143.8	50%	0.503	78%	0.782	S	S	.	*			trans	-25.3	128.1	159	-76.4	148.7	0	0	0	115.1	K403	K403-L431 HydrophobicContact CD-CD2 3.75Å; K403-L431 HydrophobicContact CG-CD2 3.92Å
432	A	21.6	Very low	23.8	Very low	107 Å²	107	143.5 Å²	143.5	88%	0.884	78%	0.781	S	S	*	*			trans	-81.8	109.7	161.1	0	0	0	0	0	109.1
433	E	21.8	Very low	23.6	Very low	170 Å²	170	142.8 Å²	142.8	79%	0.794	78%	0.777	S	S	*	*			trans	-88	127.6	169.2	-71.9	-174.8	152.2	0	0	109.6
434	L	21.6	Very low	23.5	Very low	160 Å²	160	142.3 Å²	142.3	84%	0.838	78%	0.779	S	S	*	*			trans	-108.7	106.9	175.5	-132.2	152.2	0	0	0	108.1	I436	L434-I436 HydrophobicContact CD2-CD1 4.24Å; L434-I436 HydrophobicContact CD2-CG1 4.12Å
435	M	21	Very low	23.4	Very low	176 Å²	176	143.1 Å²	143.1	87%	0.867	78%	0.782	S	S	*	*			trans	-98.6	126	176	-68.8	-135.3	-57	0	0	110.2
436	I	21.6	Very low	23.2	Very low	106 Å²	106	146.3 Å²	146.3	54%	0.544	78%	0.784	S	S	.	*			trans	-121	117.3	170.7	-57	178.9	0	0	0	108.6	L434 F438	L434-I436 HydrophobicContact CD2-CD1 4.24Å; L434-I436 HydrophobicContact CD2-CG1 4.12Å; I436-F438 HydrophobicContact CB-CE2 4.18Å; I436-F438 HydrophobicContact CB-CZ 4.21Å; I436-F438 HydrophobicContact CG2-CD2 4.42Å; I436-F438 HydrophobicContact CG2-CE1 3.92Å; I436-F438 HydrophobicContact CG2-CE2 3.82Å; I436-F438 HydrophobicContact CG2-CZ 3.54Å
437	Q	21.3	Very low	23	Very low	194 Å²	194	142.8 Å²	142.8	91%	0.907	77%	0.774	S	S	*	*	P	Polyproline II helix	trans	-96.8	120	179.5	-176.8	177.5	4.1	0	0	109.3
438	F	23	Very low	22.9	Very low	171 Å²	171	144.6 Å²	144.6	75%	0.75	78%	0.781	S	S	*	*	P	Polyproline II helix	trans	-96.3	126.6	-175.9	-66	-82.9	0	0	0	111.4	I436	I436-F438 HydrophobicContact CB-CE2 4.18Å; I436-F438 HydrophobicContact CB-CZ 4.21Å; I436-F438 HydrophobicContact CG2-CD2 4.42Å; I436-F438 HydrophobicContact CG2-CE1 3.92Å; I436-F438 HydrophobicContact CG2-CE2 3.82Å; I436-F438 HydrophobicContact CG2-CZ 3.54Å
439	S	21	Very low	22.8	Very low	116 Å²	116	144.3 Å²	144.3	81%	0.811	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-73.6	127.7	-178.3	62.2	0	0	0	0	111.9
440	S	23.2	Very low	22.7	Very low	106 Å²	106	145.4 Å²	145.4	74%	0.741	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-69	124.3	168.6	55	0	0	0	0	110.5
441	L	25.3	Very low	22.6	Very low	171 Å²	171	144.7 Å²	144.7	90%	0.895	79%	0.787	S	S	*	*			trans	-133.1	136.9	160.4	-139.3	85.6	0	0	0	112.2
442	N	24.4	Very low	22.5	Very low	137 Å²	137	147.7 Å²	147.7	73%	0.733	80%	0.802	S	S	*	*			trans	-82.8	147.1	-163.7	-76.5	-38.3	0	0	0	114.5
443	N	23.9	Very low	22.6	Very low	139 Å²	139	148.5 Å²	148.5	74%	0.743	80%	0.797	S	S	*	*			trans	55.3	125.4	136.7	-66.8	-14.4	0	0	0	122.8
444	T	24.3	Very low	22.6	Very low	127 Å²	127	148.2 Å²	148.2	78%	0.779	80%	0.8	S	S	*	*			trans	67.8	112.7	142.6	43.8	0	0	0	0	119
445	I	23.1	Very low	22.7	Very low	169 Å²	169	150.7 Å²	150.7	87%	0.867	80%	0.804	S	S	*	*				-167.1	140.4	110.1	-88.2	150.1	0	0	0	109.9
446	Q	22.6	Very low	22.8	Very low	181 Å²	181	146 Å²	146	85%	0.846	80%	0.801	S	S	*	*			trans	-72.2	147.7	175.9	-65.8	158.6	-56.9	0	0	112.5
447	S	22.9	Very low	22.8	Very low	97 Å²	97	150.4 Å²	150.4	68%	0.678	82%	0.817	S	S	*	*			trans	162.7	103.9	133.8	43.9	0	0	0	0	108.9
448	T	22.8	Very low	22.9	Very low	140 Å²	140	148.9 Å²	148.9	86%	0.859	82%	0.815	S	S	*	*				56.5	87.6	96.1	53.3	0	0	0	0	113
449	V	22	Very low	23	Very low	137 Å²	137	148.7 Å²	148.7	83%	0.83	81%	0.814	S	S	*	*			trans	-95.8	99.6	168	176.2	0	0	0	0	106.7
450	E	22.4	Very low	23.1	Very low	183 Å²	183	150.7 Å²	150.7	86%	0.855	82%	0.815	S	S	*	*			trans	-101.2	123.1	166.8	-110.1	178.9	175.1	0	0	108.9
451	L	22.3	Very low	23.1	Very low	155 Å²	155	154.5 Å²	154.5	81%	0.812	82%	0.824	S	S	*	*			trans	-64.8	121.9	170.2	-82.8	88	0	0	0	109.8
452	I	21	Very low	23.1	Very low	159 Å²	159	151.3 Å²	151.3	82%	0.815	82%	0.815	S	S	*	*			trans	-134.3	126	150.3	-59.9	-177.9	0	0	0	109
453	T	23.4	Very low	23.1	Very low	125 Å²	125	151.2 Å²	151.2	77%	0.767	81%	0.814	S	S	*	*			trans	-76.6	143.5	-177.2	39.4	0	0	0	0	112.1	K455	T453-K455 PolarHBondContact O-N 3.21Å
454	N	21.6	Very low	23.2	Very low	163 Å²	163	151.3 Å²	151.3	87%	0.872	82%	0.815	S	S	*	*			trans	-48.5	117.3	175.3	-70.6	-36.5	0	0	0	114
455	K	22.7	Very low	23.3	Very low	212 Å²	212	151.5 Å²	151.5	92%	0.922	81%	0.811	S	S	*	*			trans	-154.8	132.3	135.5	-75.5	-160.7	179.7	173.6	0	110.1	T453	T453-K455 PolarHBondContact O-N 3.21Å
456	G	23.9	Very low	23.4	Very low	78 Å²	78	151 Å²	151	80%	0.804	81%	0.81	S	S	*	*			trans	97.7	94.2	157.1	0	0	0	0	0	115.3	D458	G456-D458 PolarHBondContact O-N 2.9Å
457	F	21	Very low	23.6	Very low	199 Å²	199	146 Å²	146	87%	0.873	81%	0.807	S	S	*	*			trans	-54.3	128.8	154.2	-101.5	-99.8	0	0	0	109.4
458	D	24.1	Very low	23.9	Very low	162 Å²	162	149.2 Å²	149.2	87%	0.866	82%	0.817	S	S	*	*			trans	-139.6	118.7	142.9	-138.5	-17.8	0	0	0	110	G456	G456-D458 PolarHBondContact O-N 2.9Å
459	K	24.1	Very low	23.9	Very low	167 Å²	167	151.4 Å²	151.4	73%	0.726	82%	0.819	S	S	*	*			trans	-91.5	105	179.3	-119.1	-179.7	178.9	175.2	0	104.9
460	N	23.5	Very low	24.2	Very low	157 Å²	157	154.5 Å²	154.5	84%	0.84	82%	0.822	S	S	*	*			trans	168.8	106.5	150	-84.9	-23	0	0	0	108.3
461	M	24.7	Very low	24.3	Very low	186 Å²	186	152.5 Å²	152.5	92%	0.916	82%	0.817	S	S	*	*				170.6	94.3	129.4	-86.9	-151.1	87.7	0	0	107
462	C	23.9	Very low	24.4	Very low	104 Å²	104	153.8 Å²	153.8	70%	0.703	82%	0.823	S	S	*	*			trans	-64.3	166.8	151.7	-61.7	0	0	0	0	109.6
463	D	24.7	Very low	24.6	Very low	136 Å²	136	155.8 Å²	155.8	73%	0.727	83%	0.826	S	S	*	*			trans	94.2	96.1	160	-53.4	-20.9	0	0	0	117.2
464	N	27.2	Very low	24.6	Very low	140 Å²	140	154.8 Å²	154.8	75%	0.749	82%	0.824	S	S	*	*				164.1	109	105.7	-83.2	-47.1	0	0	0	109
465	N	25	Very low	24.7	Very low	132 Å²	132	155.4 Å²	155.4	71%	0.706	83%	0.828	S	S	*	*				71.3	121.3	82.4	-84.9	-19.5	0	0	0	115.4
466	N	25.2	Very low	24.8	Very low	159 Å²	159	149.1 Å²	149.1	85%	0.85	82%	0.816	S	S	*	*			trans	88.7	118.2	145.9	-59.9	-18.8	0	0	0	119.4
467	G	28.1	Very low	24.8	Very low	76 Å²	76	152.7 Å²	152.7	78%	0.784	82%	0.815	S	S	*	*			trans	171.6	49.6	168.6	0	0	0	0	0	116.6
468	D	28	Very low	24.9	Very low	164 Å²	164	151.4 Å²	151.4	88%	0.877	81%	0.814	S	S	*	*			trans	49.3	97	150.3	-63.2	-23.8	0	0	0	122.1
469	M	23.7	Very low	24.9	Very low	186 Å²	186	151.2 Å²	151.2	92%	0.916	81%	0.812	S	S	*	*			trans	-67.5	124.2	156.2	-78.9	170.9	69.4	0	0	112
470	K	27.4	Very low	24.9	Very low	202 Å²	202	152.7 Å²	152.7	88%	0.878	82%	0.819	S	S	*	*			trans	-108	97.8	159.1	-83.2	-175.4	178.9	175.5	0	111.2
471	N	25.2	Very low	25	Very low	141 Å²	141	154.1 Å²	154.1	75%	0.754	82%	0.817	S	S	*	*			trans	13.2	108.2	142.5	-71.3	-32	0	0	0	118.4
472	L	24.1	Very low	25	Very low	181 Å²	181	149.9 Å²	149.9	95%	0.948	81%	0.806	S	S	*	*			trans	-141.8	123.3	133.9	-110.2	127.7	0	0	0	109.8	S474	L472-S474 PolarHBondContact O-N 2.89Å
473	K	25.1	Very low	25	Very low	201 Å²	201	152.2 Å²	152.2	87%	0.874	80%	0.804	S	S	*	*			trans	-63.4	124.6	-167	-73.1	172.9	173	177.8	0	111.9	N475	K473-N475 PolarHBondContact O-N 3.48Å
474	S	24.4	Very low	24.9	Very low	104 Å²	104	155 Å²	155	73%	0.727	81%	0.813	S	S	*	*			trans	-66.2	113.2	167.6	37.4	0	0	0	0	111.5	L472 A476	L472-S474 PolarHBondContact O-N 2.89Å; S474-A476 PolarHBondContact O-N 3.43Å
475	N	23.6	Very low	24.8	Very low	177 Å²	177	153.7 Å²	153.7	95%	0.947	81%	0.813	S	S	*	*			trans	-82.3	79.8	151.2	-85.9	-15.8	0	0	0	107.6	K473	K473-N475 PolarHBondContact O-N 3.48Å
476	A	23.7	Very low	24.7	Very low	80 Å²	80	153 Å²	153	66%	0.661	82%	0.816	S	S	*	*			trans	-81.2	108.7	170.8	0	0	0	0	0	109.1	S474	S474-A476 PolarHBondContact O-N 3.43Å
477	L	24.7	Very low	24.6	Very low	153 Å²	153	153.4 Å²	153.4	80%	0.801	82%	0.816	S	S	*	*			trans	-159.4	126.2	147.1	-123.2	123.3	0	0	0	109.6
478	M	23.2	Very low	24.3	Very low	172 Å²	172	157.5 Å²	157.5	85%	0.847	82%	0.819	S	S	*	*			trans	90.7	47.1	174.4	-53.2	-63.8	173.1	0	0	117.6
479	L	23.2	Very low	24	Very low	157 Å²	157	155 Å²	155	82%	0.822	82%	0.815	S	S	*	*			trans	-115	98.6	145.1	-118.6	120.2	0	0	0	108
480	K	24.3	Very low	23.9	Very low	199 Å²	199	152 Å²	152	87%	0.865	81%	0.807	S	S	*	*			trans	-128.3	110	160.8	-94.8	-173.8	177.8	178.6	0	109.1
481	K	24.7	Very low	23.6	Very low	187 Å²	187	148.4 Å²	148.4	81%	0.813	80%	0.804	S	S	*	*			trans	77.6	54.5	154.6	-56.3	-172.9	175.6	-172.4	0	117.5	K483	K481-K483 PolarHBondContact O-N 2.96Å
482	S	24.8	Very low	23.4	Very low	97 Å²	97	146.9 Å²	146.9	68%	0.678	81%	0.805	S	S	*	*			trans	-72.8	96.2	146.6	52	0	0	0	0	108.3	Q484	S482-Q484 PolarHBondContact O-N 2.95Å; S482-Q484 VanDerWaalsContact O-N 3.13Å
483	K	24.9	Very low	23.3	Very low	152 Å²	152	146 Å²	146	66%	0.661	80%	0.8	S	S	*	*			trans	-59	114.5	172.1	-78.7	-175.1	173.7	-174	0	108.3	K481 C485	K481-K483 PolarHBondContact O-N 2.96Å; K483-C485 PolarHBondContact O-N 2.97Å
484	Q	23.3	Very low	23.2	Very low	196 Å²	196	144 Å²	144	92%	0.916	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-58.6	119.9	172.5	-86.2	167.4	-40.6	0	0	109.5	S482	S482-Q484 PolarHBondContact O-N 2.95Å; S482-Q484 VanDerWaalsContact O-N 3.13Å
485	C	24.5	Very low	23.1	Very low	112 Å²	112	143.7 Å²	143.7	76%	0.757	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-74.9	136.3	169.6	-69.8	0	0	0	0	109.6	K483	K483-C485 PolarHBondContact O-N 2.97Å
486	P	22.9	Very low	23.5	Very low	116 Å²	116	141 Å²	141	75%	0.753	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-71.8	135.2	180	28.1	-31.6	0	0	0	111.3
487	I	22.8	Very low	23.6	Very low	168 Å²	168	140.5 Å²	140.5	86%	0.862	77%	0.774	S	S	*	*	P	Polyproline II helix	trans	-93.1	127.8	174.8	-62.7	166.8	0	0	0	106.8
488	L	22.2	Very low	24	Very low	162 Å²	162	140.5 Å²	140.5	85%	0.848	77%	0.77	S	S	*	*			trans	-128.2	130.4	170.6	-154.4	88.7	0	0	0	109.5
489	S	20.8	Very low	24.4	Very low	113 Å²	113	135.7 Å²	135.7	79%	0.79	75%	0.747	S	S	*	*			trans	-98.3	131.9	-173.8	47.3	0	0	0	0	111.6
490	V	22.3	Very low	24.8	Very low	122 Å²	122	134.7 Å²	134.7	74%	0.739	74%	0.742	S	S	*	*			trans	-133.4	143.1	-180	-179	0	0	0	0	110.4
491	P	20.9	Very low	25.1	Very low	126 Å²	126	133.3 Å²	133.3	82%	0.818	74%	0.739	S	S	*	*			trans	-82.8	147.4	-165.6	-8.1	27.3	0	0	0	114.7
492	S	21.8	Very low	25.3	Very low	110 Å²	110	131.8 Å²	131.8	77%	0.769	74%	0.74	S	S	*	*			trans	-74.5	133.7	-178.7	136.9	0	0	0	0	113.1
493	L	21.5	Very low	25.7	Very low	161 Å²	161	135.2 Å²	135.2	84%	0.843	74%	0.743	S	S	*	*			trans	-136.2	113.1	160.2	-93.2	159.9	0	0	0	111
494	M	22.5	Very low	26.2	Very low	160 Å²	160	133.6 Å²	133.6	79%	0.788	74%	0.741	S	S	*	*			trans	73.4	151.6	145.2	-64.6	-73.6	100.8	0	0	120.4
495	S	23.5	Very low	26.8	Very low	98 Å²	98	126.5 Å²	126.5	69%	0.685	71%	0.709	S	S	*	*			trans	-118	153.7	-136.1	46	0	0	0	0	113.6
496	P	31	Very low	27.7	Very low	119 Å²	119	122.7 Å²	122.7	77%	0.773	68%	0.684	S	S	*	*			trans	-106.8	163.6	-164	33	-16.9	0	0	0	113.7
497	V	26.3	Very low	28.7	Very low	70 Å²	70	117.2 Å²	117.2	42%	0.424	65%	0.648	S	S	.	*			trans	-122	168	170.5	178.7	0	0	0	0	108.2	S605 T608	V497-S605 CarbonylContact C-O 3.45Å; V497-S605 WeakPolarHBondContact CG1-O 3.39Å; V497-S605 WeakPolarHBondContact O-CA 3.43Å; V497-S605 WeakPolarHBondContact O-CB 3.47Å; V497-T608 WeakPolarHBondContact CG1-OG1 3.5Å
498	Q	33.4	Very low	29.8	Very low	154 Å²	154	109.4 Å²	109.4	72%	0.72	61%	0.608	S	S	*	*			trans	-133.1	162.9	-162.1	-91	-173	-40.1	0	0	115.4	S605 D606 K607	Q498-S605 PolarHBondContact N-O 2.76Å; Q498-D606 CarbonylContact O-C 3.58Å; Q498-K607 CarbonylContact O-C 3.48Å; Q498-K607 VanDerWaalsContact O-C 3.25Å; Q498-K607 PolarHBondContact O-N 2.91Å
499	I	31.4	Very low	31.3	Very low	70 Å²	70	102.3 Å²	102.3	36%	0.359	57%	0.57	S	S	.	*			trans	-125.4	156.3	-176.3	-48.8	-170.3	0	0	0	114.5	L603 Y604 D606	I499-L603 WeakPolarHBondContact CD1-O 3.47Å; I499-Y604 VanDerWaalsContact CG1-C 3.41Å; I499-D606 HydrophobicContact CD1-CB 3.66Å; I499-D606 VanDerWaalsContact CG1-C 3.49Å; I499-D606 HydrophobicContact CG1-CB 4.04Å; I499-D606 VanDerWaalsContact CG1-O 3.27Å; I499-D606 WeakPolarHBondContact CG1-O 3.25Å
500	D	31	Very low	32.5	Very low	136 Å²	136	97.8 Å²	97.8	73%	0.727	54%	0.538	S	S	*	.			trans	-64.4	142	177.7	-140.9	-9.5	0	0	0	118	N502	D500-N502 PolarHBondContact O-N 3.26Å
501	E	31.2	Very low	33.8	Very low	171 Å²	171	92.2 Å²	92.2	80%	0.799	50%	0.504	S	S	*	.	S	Bend	trans	-86.1	-3.7	-154.9	-64.1	-175.3	149.4	0	0	117.8
502	N	28.9	Very low	34.9	Very low	154 Å²	154	88 Å²	88	82%	0.824	48%	0.475	S	S	*	.	S	Bend	trans	-96.2	9.4	-163.7	-76.2	-37.3	0	0	0	117.3	D500	D500-N502 PolarHBondContact O-N 3.26Å
503	K	32.1	Very low	35.9	Very low	170 Å²	170	87 Å²	87	74%	0.739	46%	0.458	S	S	*	.			trans	-131.4	83.9	178.3	-67.8	-176.8	-176.9	175.2	0	111.4	L505	K503-L505 PolarHBondContact O-N 3.34Å
504	N	36.4	Very low	36.6	Very low	118 Å²	118	80.1 Å²	80.1	63%	0.631	42%	0.423	S	S	*	.			trans	-65.3	96.9	175.6	-75.4	-22.4	0	0	0	111.3	S506	N504-S506 PolarHBondContact O-N 3.28Å
505	L	34.9	Very low	37.5	Very low	46 Å²	46	74.7 Å²	74.7	24%	0.241	39%	0.394	C	S	.	.			trans	-70.8	117.3	166.1	-64.2	164.1	0	0	0	107.8	V321 Q323 K503	V321-L505 HydrophobicContact CG1-CB 4.03Å; V321-L505 HydrophobicContact CG1-CD1 4.12Å; V321-L505 HydrophobicContact CG1-CD2 3.67Å; V321-L505 HydrophobicContact CG1-CG 4.13Å; Q323-L505 HydrophobicContact CG-CD2 3.96Å; K503-L505 PolarHBondContact O-N 3.34Å
506	S	43.4	Very low	38	Very low	33 Å²	33	73.1 Å²	73.1	23%	0.231	38%	0.383	C	S	.	.			trans	-103.2	-16	-170.4	55.4	0	0	0	0	114.9	Q354 N504	Q354-S506 WeakPolarHBondContact CB-O 3.41Å; Q354-S506 PolarHBondContact N-O 2.97Å; N504-S506 PolarHBondContact O-N 3.28Å
507	G	44.9	Very low	38.1	Very low	0 Å²	0	72.5 Å²	72.5	0%	0	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.7	153.8	176.2	0	0	0	0	0	117.4	C322 Q354	C322-G507 PolarHBondContact N-O 3.13Å; Q354-G507 CarbonylContact O-C 3.25Å; Q354-G507 WeakPolarHBondContact O-CA 3.49Å
508	I	46.2	Very low	38.3	Very low	5 Å²	5	77.2 Å²	77.2	3%	0.026	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	131.9	173.2	-64	-168.6	0	0	0	108.5	G320 V321 F353 Q354 L355 R356 V510 V600	G320-I508 WeakPolarHBondContact O-CA 3.39Å; V321-I508 HydrophobicContact CG2-CD1 4.09Å; V321-I508 HydrophobicContact CG2-CG1 4.07Å; F353-I508 HydrophobicContact CE1-CG1 4.45Å; F353-I508 HydrophobicContact CE2-CD1 4.04Å; F353-I508 HydrophobicContact CE2-CG1 3.87Å; F353-I508 HydrophobicContact CZ-CB 4.19Å; F353-I508 HydrophobicContact CZ-CD1 3.45Å; F353-I508 VanDerWaalsContact CZ-CD1 3.45Å; F353-I508 HydrophobicContact CZ-CG1 3.46Å; F353-I508 VanDerWaalsContact CZ-CG1 3.46Å; Q354-I508 PolarHBondContact O-N 3.36Å; Q354-I508 VanDerWaalsContact O-N 3.12Å; L355-I508 HydrophobicContact CD1-CB 3.94Å; L355-I508 HydrophobicContact CD1-CG2 4.02Å; R356-I508 PolarHBondContact N-O 3.19Å; I508-V510 HydrophobicContact CG2-CG2 3.69Å; I508-V600 HydrophobicContact CD1-CG2 3.67Å
509	F	53.4	Low	38.5	Very low	12 Å²	12	70.1 Å²	70.1	5%	0.053	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	123.1	176.8	-73.7	-103.6	0	0	0	109.3	L279 N318 G320 C322 R356 I358	L279-F509 HydrophobicContact CD1-CD1 4.35Å; L279-F509 HydrophobicContact CD1-CD2 4.19Å; L279-F509 HydrophobicContact CD1-CE1 3.86Å; L279-F509 HydrophobicContact CD1-CE2 3.7Å; L279-F509 HydrophobicContact CD1-CG 4.5Å; L279-F509 HydrophobicContact CD1-CZ 3.51Å; L279-F509 HydrophobicContact CD2-CE2 4.21Å; L279-F509 HydrophobicContact CD2-CZ 3.73Å; L279-F509 HydrophobicContact CG-CZ 4.27Å; N318-F509 WeakPolarHBondContact O-CB 3.4Å; G320-F509 PolarHBondContact N-O 2.92Å; G320-F509 PolarHBondContact O-N 3.39Å; C322-F509 HydrophobicContact CB-CD2 3.86Å; C322-F509 HydrophobicContact CB-CE2 4.06Å; R356-F509 HydrophobicContact CB-CD1 4.06Å; R356-F509 HydrophobicContact CB-CE1 4.06Å; R356-F509 HydrophobicContact CG-CE1 4.4Å; R356-F509 HydrophobicContact CG-CZ 4.46Å; R356-F509 WeakPolarHBondContact O-CA 3.42Å; I358-F509 HydrophobicContact CD1-CD1 3.68Å; I358-F509 HydrophobicContact CD1-CE1 4.2Å
510	V	46.5	Very low	38.6	Very low	19 Å²	19	70.7 Å²	70.7	12%	0.115	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	120.7	-179.1	-163.9	0	0	0	0	109.7	L355 R356 I358 I508 W515 I596	L355-V510 HydrophobicContact CD1-CG2 4.2Å; R356-V510 PolarHBondContact O-N 2.89Å; I358-V510 PolarHBondContact N-O 3.3Å; I508-V510 HydrophobicContact CG2-CG2 3.69Å; V510-W515 HydrophobicContact CG1-CZ2 4.25Å; V510-I596 HydrophobicContact CG1-CD1 4.41Å; V510-I596 HydrophobicContact CG2-CD1 4.32Å
511	P	48.2	Very low	38.9	Very low	4 Å²	4	69.9 Å²	69.9	3%	0.026	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	142.2	172.4	-6.7	21.6	0	0	0	111.5	G315 V319 H513 S514 W515	G315-P511 VanDerWaalsContact CA-CG 3.5Å; V319-P511 HydrophobicContact CG1-CG 4.38Å; V319-P511 HydrophobicContact CG2-CG 3.86Å; P511-H513 WeakPolarHBondContact CB-CE1 3.37Å; P511-H513 PolarHBondContact O-N 2.99Å; P511-S514 WeakPolarHBondContact CG-OG 3.37Å; P511-S514 WeakPolarHBondContact O-CB 3.41Å; P511-S514 PolarHBondContact O-N 3Å; P511-S514 PolarHBondContact O-OG 2.83Å; P511-W515 PolarHBondContact O-NE1 3.43Å
512	L	43.6	Very low	39.3	Very low	37 Å²	37	69.1 Å²	69.1	19%	0.194	34%	0.339	C	S	.	.	G	3₁₀ helix	trans	-65.3	-36.7	-178.9	-138.4	91.8	0	0	0	113.5	I357 I358 T365 S514 W515	I357-L512 HydrophobicContact CG2-CD1 3.55Å; I358-L512 PolarHBondContact O-N 3.33Å; T365-L512 HydrophobicContact CG2-CD1 4.33Å; T365-L512 WeakPolarHBondContact OG1-CD1 3.45Å; L512-S514 PolarHBondContact O-N 2.85Å; L512-S514 VanDerWaalsContact O-N 3.15Å; L512-W515 VanDerWaalsContact O-CB 3.28Å; L512-W515 WeakPolarHBondContact O-CB 3.44Å; L512-W515 PolarHBondContact O-N 3.47Å; L512-W515 VanDerWaalsContact O-N 3.17Å
513	H	42.9	Very low	39.9	Very low	90 Å²	90	65.9 Å²	65.9	42%	0.417	33%	0.329	S	S	.	.	G	3₁₀ helix	trans	-66.2	-17.3	-179.8	66.7	-83.7	0	0	0	112.8	C313 R314 G315 P511 W515	C313-H513 PolarHBondContact O-CE1 2.95Å; C313-H513 PolarHBondContact O-ND1 3.24Å; R314-H513 WeakPolarHBondContact CA-CE1 3.24Å; R314-H513 PolarHBondContact O-CE1 3.29Å; R314-H513 PolarHBondContact O-NE2 3.18Å; R314-H513 VanDerWaalsContact O-NE2 3.08Å; G315-H513 PolarHBondContact N-CE1 2.7Å; G315-H513 VanDerWaalsContact N-CE1 3.27Å; P511-H513 WeakPolarHBondContact CB-CE1 3.37Å; P511-H513 PolarHBondContact O-N 2.99Å; H513-W515 PolarHBondContact O-N 3.43Å; H513-W515 VanDerWaalsContact O-N 3.1Å
514	S	37.8	Very low	40.4	Very low	16 Å²	16	64.1 Å²	64.1	11%	0.112	32%	0.323	C	S	.	.	G	3₁₀ helix	trans	-73.7	13.2	173.3	-46.5	0	0	0	0	113.5	P511 L512 I519	P511-S514 WeakPolarHBondContact CG-OG 3.37Å; P511-S514 WeakPolarHBondContact O-CB 3.41Å; P511-S514 PolarHBondContact O-N 3Å; P511-S514 PolarHBondContact O-OG 2.83Å; L512-S514 PolarHBondContact O-N 2.85Å; L512-S514 VanDerWaalsContact O-N 3.15Å; S514-I519 WeakPolarHBondContact O-CD1 3.35Å
515	W	41.5	Very low	40.7	Very low	46 Å²	46	60.6 Å²	60.6	17%	0.174	30%	0.302	C	S	.	.	G	3₁₀ helix	trans	-116	11.3	-175.9	-64.8	45.2	0	0	0	112.8	T368 L372 V510 P511 L512 H513 I596	T368-W515 HydrophobicContact CG2-CE3 4.1Å; T368-W515 HydrophobicContact CG2-CH2 3.03Å; T368-W515 HydrophobicContact CG2-CZ2 3.93Å; T368-W515 HydrophobicContact CG2-CZ3 3.1Å; T368-W515 WeakPolarHBondContact OG1-CZ3 3.4Å; L372-W515 HydrophobicContact CD1-CH2 4.37Å; V510-W515 HydrophobicContact CG1-CZ2 4.25Å; P511-W515 PolarHBondContact O-NE1 3.43Å; L512-W515 VanDerWaalsContact O-CB 3.28Å; L512-W515 WeakPolarHBondContact O-CB 3.44Å; L512-W515 PolarHBondContact O-N 3.47Å; L512-W515 VanDerWaalsContact O-N 3.17Å; H513-W515 PolarHBondContact O-N 3.43Å; H513-W515 VanDerWaalsContact O-N 3.1Å; W515-I596 HydrophobicContact CZ2-CD1 4.21Å
516	S	33.7	Very low	41	Very low	66 Å²	66	60.8 Å²	60.8	46%	0.462	31%	0.306	S	S	.	.	S	Bend	trans	-88.2	141.2	175.8	64	0	0	0	0	111.8	R518 I519	S516-R518 PolarHBondContact O-N 3.12Å; S516-I519 WeakPolarHBondContact O-CD1 3.37Å; S516-I519 WeakPolarHBondContact O-CG1 3.49Å; S516-I519 PolarHBondContact O-N 3.03Å
517	D	33	Very low	40.9	Very low	105 Å²	105	61 Å²	61	56%	0.561	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-46.8	-10.7	-168	-53.6	-15.1	0	0	0	118.2
518	R	30.9	Very low	40.9	Very low	169 Å²	169	62.2 Å²	62.2	64%	0.638	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.5	6	-170.9	-65.9	-170	-176.8	-177.5	3.1	115.4	S516 T521	S516-R518 PolarHBondContact O-N 3.12Å; R518-T521 PolarHBondContact O-OG1 3.05Å
519	I	36.6	Very low	40.9	Very low	5 Å²	5	63.2 Å²	63.2	3%	0.026	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-33.7	-168.2	-74	171.7	0	0	0	113.4	S514 S516 H525 V527 S528	S514-I519 WeakPolarHBondContact O-CD1 3.35Å; S516-I519 WeakPolarHBondContact O-CD1 3.37Å; S516-I519 WeakPolarHBondContact O-CG1 3.49Å; S516-I519 PolarHBondContact O-N 3.03Å; I519-H525 WeakPolarHBondContact CG1-NE2 3.35Å; I519-H525 VanDerWaalsContact CG2-CE1 3.46Å; I519-H525 WeakPolarHBondContact CG2-CE1 3.35Å; I519-H525 VanDerWaalsContact CG2-ND1 3.32Å; I519-H525 WeakPolarHBondContact CG2-ND1 3.19Å; I519-H525 WeakPolarHBondContact O-CB 3.3Å; I519-V527 HydrophobicContact CG2-CB 4.13Å; I519-V527 HydrophobicContact CG2-CG2 4.41Å; I519-S528 PolarHBondContact O-OG 2.9Å
520	Y	34.3	Very low	40.4	Very low	83 Å²	83	64.8 Å²	64.8	33%	0.325	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.7	-13.8	-174	-59.2	-70.7	0	0	0	114.4	L538 H592	Y520-L538 HydrophobicContact CD1-CD1 4.21Å; Y520-L538 HydrophobicContact CE1-CD1 4.17Å; Y520-H592 AromaticContact CE2-CE1 3.63Å; Y520-H592 AromaticContact CE2-ND1 3.68Å
521	T	36.2	Very low	40.2	Very low	118 Å²	118	64.2 Å²	64.2	72%	0.724	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.1	-20.6	178.6	53.3	0	0	0	0	113.1	R518	R518-T521 PolarHBondContact O-OG1 3.05Å
522	Y	39.4	Very low	40.1	Very low	156 Å²	156	74.1 Å²	74.1	61%	0.612	36%	0.361	S	S	*	.			trans	-91.5	109.5	175.7	-102.3	-93.3	0	0	0	110.9	H524 H525 S528	Y522-H524 HydrophobicContact CD1-CB 4.36Å; Y522-H524 PolarHBondContact O-N 2.72Å; Y522-H524 VanDerWaalsContact O-N 3.13Å; Y522-H525 WeakPolarHBondContact O-CB 3.29Å; Y522-H525 PolarHBondContact O-N 2.72Å; Y522-S528 PolarHBondContact O-OG 2.82Å
523	S	42.3	Very low	40	Very low	86 Å²	86	75.9 Å²	75.9	60%	0.601	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.8	-26.8	167.9	50.9	0	0	0	0	112.7	I529	S523-I529 WeakPolarHBondContact O-CG1 3.24Å
524	H	42.3	Very low	39.8	Very low	132 Å²	132	74.4 Å²	74.4	61%	0.611	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.9	2.5	178.6	-54.6	-68.6	0	0	0	114.2	Y522 I529	Y522-H524 HydrophobicContact CD1-CB 4.36Å; Y522-H524 PolarHBondContact O-N 2.72Å; Y522-H524 VanDerWaalsContact O-N 3.13Å; H524-I529 VanDerWaalsContact C-CD1 3.46Å; H524-I529 WeakPolarHBondContact O-CD1 2.98Å
525	H	42.7	Very low	39.8	Very low	44 Å²	44	76.7 Å²	76.7	20%	0.204	39%	0.392	C	S	.	.	S	Bend	trans	-71.8	137.5	176.1	-171.5	-87.3	0	0	0	110	I519 Y522 V527 S528 I529	I519-H525 WeakPolarHBondContact CG1-NE2 3.35Å; I519-H525 VanDerWaalsContact CG2-CE1 3.46Å; I519-H525 WeakPolarHBondContact CG2-CE1 3.35Å; I519-H525 VanDerWaalsContact CG2-ND1 3.32Å; I519-H525 WeakPolarHBondContact CG2-ND1 3.19Å; I519-H525 WeakPolarHBondContact O-CB 3.3Å; Y522-H525 WeakPolarHBondContact O-CB 3.29Å; Y522-H525 PolarHBondContact O-N 2.72Å; H525-V527 VanDerWaalsContact C-N 3.27Å; H525-V527 PolarHBondContact ND1-N 3.41Å; H525-V527 PolarHBondContact O-N 3.33Å; H525-V527 VanDerWaalsContact O-N 3.11Å; H525-S528 PolarHBondContact O-N 2.85Å; H525-I529 WeakPolarHBondContact O-CG1 3.35Å; H525-I529 PolarHBondContact O-N 2.9Å
526	P	41.7	Very low	39.5	Very low	50 Å²	50	76 Å²	76	33%	0.325	39%	0.392	S	S	.	.	H	α-helix	trans	-49.6	-44.4	-176.5	-28.5	33	0	0	0	113.4	S528 I529 F530	P526-S528 PolarHBondContact O-N 2.85Å; P526-I529 CarbonylContact O-C 3.56Å; P526-I529 WeakPolarHBondContact O-CB 3.49Å; P526-I529 PolarHBondContact O-N 3.46Å; P526-F530 HydrophobicContact CB-CD2 4.07Å; P526-F530 HydrophobicContact CB-CE2 3.47Å; P526-F530 VanDerWaalsContact CB-CE2 3.47Å; P526-F530 HydrophobicContact CB-CZ 4.22Å; P526-F530 WeakPolarHBondContact O-CB 3.46Å; P526-F530 WeakPolarHBondContact O-CD2 3.13Å; P526-F530 WeakPolarHBondContact O-CE2 3.38Å; P526-F530 WeakPolarHBondContact O-CG 3.23Å; P526-F530 PolarHBondContact O-N 3.43Å
527	V	40.5	Very low	39.7	Very low	39 Å²	39	78.8 Å²	78.8	24%	0.236	40%	0.398	C	S	.	.	H	α-helix	trans	-60	-45.2	178.9	177.1	0	0	0	0	113.3	I519 H525 F530 A531	I519-V527 HydrophobicContact CG2-CB 4.13Å; I519-V527 HydrophobicContact CG2-CG2 4.41Å; H525-V527 VanDerWaalsContact C-N 3.27Å; H525-V527 PolarHBondContact ND1-N 3.41Å; H525-V527 PolarHBondContact O-N 3.33Å; H525-V527 VanDerWaalsContact O-N 3.11Å; V527-F530 PolarHBondContact O-N 3.22Å; V527-A531 PolarHBondContact O-N 2.86Å
528	S	46.2	Very low	39.8	Very low	24 Å²	24	76.4 Å²	76.4	17%	0.168	39%	0.385	C	S	.	.	H	α-helix	trans	-66.3	-41.4	177.8	-51.1	0	0	0	0	111.1	I519 Y522 H525 P526 F530 A531 W532	I519-S528 PolarHBondContact O-OG 2.9Å; Y522-S528 PolarHBondContact O-OG 2.82Å; H525-S528 PolarHBondContact O-N 2.85Å; P526-S528 PolarHBondContact O-N 2.85Å; S528-F530 VanDerWaalsContact C-N 3.3Å; S528-F530 PolarHBondContact O-N 3.4Å; S528-A531 PolarHBondContact O-N 3.18Å; S528-W532 PolarHBondContact O-N 2.69Å
529	I	45.9	Very low	39.9	Very low	27 Å²	27	72.8 Å²	72.8	14%	0.138	37%	0.374	C	S	.	.	H	α-helix	trans	-62	-39.6	173.4	-63.8	169.1	0	0	0	110.6	F232 S523 H524 H525 P526 W532 Q533	F232-I529 HydrophobicContact CE1-CD1 4.19Å; S523-I529 WeakPolarHBondContact O-CG1 3.24Å; H524-I529 VanDerWaalsContact C-CD1 3.46Å; H524-I529 WeakPolarHBondContact O-CD1 2.98Å; H525-I529 WeakPolarHBondContact O-CG1 3.35Å; H525-I529 PolarHBondContact O-N 2.9Å; P526-I529 CarbonylContact O-C 3.56Å; P526-I529 WeakPolarHBondContact O-CB 3.49Å; P526-I529 PolarHBondContact O-N 3.46Å; I529-W532 WeakPolarHBondContact O-CB 3.32Å; I529-W532 PolarHBondContact O-N 2.88Å; I529-Q533 HydrophobicContact CG2-CG 4.22Å; I529-Q533 WeakPolarHBondContact O-CB 3.29Å; I529-Q533 VanDerWaalsContact O-CG 3.31Å; I529-Q533 WeakPolarHBondContact O-CG 3.3Å; I529-Q533 PolarHBondContact O-N 3.49Å
530	F	41.6	Very low	39.6	Very low	44 Å²	44	77 Å²	77	19%	0.193	40%	0.402	C	S	.	.	H	α-helix	trans	-72.7	-38.1	-178.5	-70.9	-47.5	0	0	0	113	W272 P526 V527 S528 W532 Q533 T534	W272-F530 HydrophobicContact CH2-CD1 4.38Å; W272-F530 AromaticContact CH2-CE1 3.43Å; W272-F530 HydrophobicContact CH2-CE1 3.43Å; W272-F530 VanDerWaalsContact CH2-CE1 3.43Å; W272-F530 HydrophobicContact CH2-CE2 4.14Å; W272-F530 AromaticContact CH2-CZ 3.33Å; W272-F530 HydrophobicContact CH2-CZ 3.33Å; W272-F530 HydrophobicContact CZ2-CZ 4.47Å; W272-F530 AromaticContact CZ3-CE1 3.92Å; W272-F530 HydrophobicContact CZ3-CE1 3.92Å; W272-F530 AromaticContact CZ3-CZ 3.81Å; W272-F530 HydrophobicContact CZ3-CZ 3.81Å; P526-F530 HydrophobicContact CB-CD2 4.07Å; P526-F530 HydrophobicContact CB-CE2 3.47Å; P526-F530 VanDerWaalsContact CB-CE2 3.47Å; P526-F530 HydrophobicContact CB-CZ 4.22Å; P526-F530 WeakPolarHBondContact O-CB 3.46Å; P526-F530 WeakPolarHBondContact O-CD2 3.13Å; P526-F530 WeakPolarHBondContact O-CE2 3.38Å; P526-F530 WeakPolarHBondContact O-CG 3.23Å; P526-F530 PolarHBondContact O-N 3.43Å; V527-F530 PolarHBondContact O-N 3.22Å; S528-F530 VanDerWaalsContact C-N 3.3Å; S528-F530 PolarHBondContact O-N 3.4Å; F530-W532 VanDerWaalsContact C-N 3.28Å; F530-W532 PolarHBondContact O-N 3.17Å; F530-Q533 PolarHBondContact O-N 3.14Å; F530-T534 WeakPolarHBondContact O-CB 3.35Å; F530-T534 WeakPolarHBondContact O-CG2 3.21Å; F530-T534 PolarHBondContact O-N 2.86Å; F530-T534 PolarHBondContact O-OG1 3.13Å
531	A	43	Very low	39.2	Very low	8 Å²	8	76.5 Å²	76.5	7%	0.066	41%	0.405	C	S	.	.	H	α-helix	trans	-55.5	-50.2	171.2	0	0	0	0	0	109.6	V527 S528 Q533 T534 G535 L536 L538	V527-A531 PolarHBondContact O-N 2.86Å; S528-A531 PolarHBondContact O-N 3.18Å; A531-Q533 PolarHBondContact O-N 2.87Å; A531-T534 PolarHBondContact O-N 3.41Å; A531-T534 PolarHBondContact O-OG1 2.98Å; A531-G535 PolarHBondContact O-N 3.4Å; A531-L536 CarbonylContact C-O 3.34Å; A531-L536 VanDerWaalsContact C-O 3.25Å; A531-L536 HydrophobicContact CB-CB 4.48Å; A531-L536 WeakPolarHBondContact CB-O 3.05Å; A531-L536 PolarHBondContact O-N 3.28Å; A531-L536 VanDerWaalsContact O-O 3.09Å; A531-L538 HydrophobicContact CB-CD1 3.72Å; A531-L538 HydrophobicContact CB-CD2 4.34Å; A531-L538 HydrophobicContact CB-CG 3.68Å
532	W	46.9	Very low	38.7	Very low	212 Å²	212	75.2 Å²	75.2	80%	0.803	41%	0.406	S	S	*	.	H	α-helix	trans	-59.1	-48.6	175.4	-174.2	75.4	0	0	0	113.6	S528 I529 F530 T534 G535	S528-W532 PolarHBondContact O-N 2.69Å; I529-W532 WeakPolarHBondContact O-CB 3.32Å; I529-W532 PolarHBondContact O-N 2.88Å; F530-W532 VanDerWaalsContact C-N 3.28Å; F530-W532 PolarHBondContact O-N 3.17Å; W532-T534 VanDerWaalsContact C-N 3.29Å; W532-T534 PolarHBondContact O-N 3.13Å; W532-G535 PolarHBondContact O-N 2.97Å
533	Q	41.3	Very low	38.1	Very low	74 Å²	74	76.7 Å²	76.7	35%	0.346	42%	0.415	S	S	.	.	H	α-helix	trans	-67	-26.7	-178.7	-75.9	178.8	-6.8	0	0	114.2	I529 F530 A531	I529-Q533 HydrophobicContact CG2-CG 4.22Å; I529-Q533 WeakPolarHBondContact O-CB 3.29Å; I529-Q533 VanDerWaalsContact O-CG 3.31Å; I529-Q533 WeakPolarHBondContact O-CG 3.3Å; I529-Q533 PolarHBondContact O-N 3.49Å; F530-Q533 PolarHBondContact O-N 3.14Å; A531-Q533 PolarHBondContact O-N 2.87Å
534	T	38.7	Very low	37.4	Very low	58 Å²	58	76 Å²	76	36%	0.356	41%	0.41	S	S	.	.	H	α-helix	trans	-96.5	-3.9	179.7	56.3	0	0	0	0	113.1	F530 A531 W532 L536	F530-T534 WeakPolarHBondContact O-CB 3.35Å; F530-T534 WeakPolarHBondContact O-CG2 3.21Å; F530-T534 PolarHBondContact O-N 2.86Å; F530-T534 PolarHBondContact O-OG1 3.13Å; A531-T534 PolarHBondContact O-N 3.41Å; A531-T534 PolarHBondContact O-OG1 2.98Å; W532-T534 VanDerWaalsContact C-N 3.29Å; W532-T534 PolarHBondContact O-N 3.13Å; T534-L536 VanDerWaalsContact C-N 3.31Å; T534-L536 WeakPolarHBondContact OG1-CD1 3.17Å; T534-L536 WeakPolarHBondContact OG1-CG 3.42Å
535	G	37.8	Very low	36.7	Very low	65 Å²	65	75.7 Å²	75.7	67%	0.67	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.4	21.7	-175.9	0	0	0	0	0	113.5	A531 W532	A531-G535 PolarHBondContact O-N 3.4Å; W532-G535 PolarHBondContact O-N 2.97Å
536	L	33.8	Very low	36	Very low	30 Å²	30	75.8 Å²	75.8	16%	0.157	41%	0.414	C	S	.	.			trans	-91.3	135.4	177.8	-63.4	168.1	0	0	0	109.3	A531 T534 L599 Q602 L603	A531-L536 CarbonylContact C-O 3.34Å; A531-L536 VanDerWaalsContact C-O 3.25Å; A531-L536 HydrophobicContact CB-CB 4.48Å; A531-L536 WeakPolarHBondContact CB-O 3.05Å; A531-L536 PolarHBondContact O-N 3.28Å; A531-L536 VanDerWaalsContact O-O 3.09Å; T534-L536 VanDerWaalsContact C-N 3.31Å; T534-L536 WeakPolarHBondContact OG1-CD1 3.17Å; T534-L536 WeakPolarHBondContact OG1-CG 3.42Å; L536-L599 HydrophobicContact CB-CD1 4.44Å; L536-L599 HydrophobicContact CD1-CD1 3.87Å; L536-L599 HydrophobicContact CD1-CD2 4.09Å; L536-L599 HydrophobicContact CD1-CG 3.84Å; L536-Q602 HydrophobicContact CD2-CB 4.28Å; L536-L603 HydrophobicContact CD2-CD2 4.43Å; L536-L603 HydrophobicContact CD2-CG 4.4Å
537	E	38.5	Very low	35.4	Very low	126 Å²	126	77.9 Å²	77.9	59%	0.589	42%	0.422	S	S	*	.			trans	-98.3	125.2	177.1	-67.8	-174.8	165.2	0	0	109.3	H539 Q602	E537-H539 WeakPolarHBondContact CB-NE2 3.41Å; E537-H539 PolarHBondContact O-N 3.45Å; E537-H539 IonicContact OE2-CD2 3.99Å; E537-H539 IonicContact OE2-CE1 3.32Å; E537-H539 PolarHBondContact OE2-CE1 3.12Å; E537-H539 IonicContact OE2-NE2 2.77Å; E537-H539 PolarHBondContact OE2-NE2 3.32Å; E537-Q602 PolarHBondContact O-NE2 2.8Å; E537-Q602 PolarHBondContact O-OE1 2.81Å
538	L	35.6	Very low	35.2	Very low	55 Å²	55	80 Å²	80	29%	0.288	43%	0.429	S	S	.	.			trans	-85.5	100.9	175.1	-67	169.2	0	0	0	108.8	Y520 A531 L599	Y520-L538 HydrophobicContact CD1-CD1 4.21Å; Y520-L538 HydrophobicContact CE1-CD1 4.17Å; A531-L538 HydrophobicContact CB-CD1 3.72Å; A531-L538 HydrophobicContact CB-CD2 4.34Å; A531-L538 HydrophobicContact CB-CG 3.68Å; L538-L599 HydrophobicContact CD2-CD1 4.28Å
539	H	32.5	Very low	34.4	Very low	92 Å²	92	82.7 Å²	82.7	43%	0.426	45%	0.446	S	S	.	.			trans	-96.7	122.9	176.9	-69.9	-63.9	0	0	0	111.2	E537 I541	E537-H539 WeakPolarHBondContact CB-NE2 3.41Å; E537-H539 PolarHBondContact O-N 3.45Å; E537-H539 IonicContact OE2-CD2 3.99Å; E537-H539 IonicContact OE2-CE1 3.32Å; E537-H539 PolarHBondContact OE2-CE1 3.12Å; E537-H539 IonicContact OE2-NE2 2.77Å; E537-H539 PolarHBondContact OE2-NE2 3.32Å; H539-I541 PolarHBondContact O-N 3.25Å
540	P	29.9	Very low	33.9	Very low	93 Å²	93	83.1 Å²	83.1	60%	0.604	45%	0.451	S	S	*	.			trans	-71.7	110.3	169.4	26.8	-30.3	0	0	0	109.9	F591	P540-F591 HydrophobicContact CB-CE1 3.62Å; P540-F591 HydrophobicContact CB-CE2 4.31Å; P540-F591 HydrophobicContact CB-CZ 3.32Å
541	I	26.5	Very low	33.7	Very low	74 Å²	74	86.4 Å²	86.4	38%	0.379	48%	0.48	S	S	.	.			trans	-81.5	148.5	178.1	-58.5	175.7	0	0	0	110.3	H539 K543 E594 D598	H539-I541 PolarHBondContact O-N 3.25Å; I541-K543 PolarHBondContact O-N 3.49Å; I541-E594 HydrophobicContact CB-CB 4.46Å; I541-E594 WeakPolarHBondContact CB-OE2 3.4Å; I541-E594 HydrophobicContact CD1-CB 4.47Å; I541-D598 HydrophobicContact CD1-CB 4.13Å
542	A	26.7	Very low	33.3	Very low	90 Å²	90	90.8 Å²	90.8	74%	0.744	51%	0.51	S	S	*	.			trans	-84.9	107	-174.6	0	0	0	0	0	112.7
543	K	26.5	Very low	32.6	Very low	188 Å²	188	83.8 Å²	83.8	82%	0.817	50%	0.504	S	S	*	.			trans	48.6	100.9	153	-62.5	-178.1	-178.9	176.9	0	116.5	I541	I541-K543 PolarHBondContact O-N 3.49Å
544	C	27	Very low	32.1	Very low	71 Å²	71	90 Å²	90	48%	0.48	53%	0.53	S	S	.	.			trans	-80.2	171.3	155.5	-152	0	0	0	0	110.6	E590	C544-E590 VanDerWaalsContact C-OE1 3.29Å; C544-E590 HydrophobicContact CB-CG 3.98Å; C544-E590 VanDerWaalsContact O-CD 3.22Å
545	L	27.6	Very low	31.6	Very low	126 Å²	126	93.1 Å²	93.1	66%	0.66	55%	0.548	S	S	*	.			trans	-123.8	103.4	-178.4	-157	138.6	0	0	0	109.4	L547 L580	L545-L547 HydrophobicContact CD2-CD2 3.99Å; L545-L547 HydrophobicContact CD2-CG 4.12Å; L545-L580 HydrophobicContact CD2-CD1 3.58Å; L545-L580 HydrophobicContact CG-CD1 3.91Å
546	L	27.3	Very low	31.2	Very low	46 Å²	46	96.4 Å²	96.4	24%	0.241	55%	0.549	C	S	.	.			trans	-89.1	129.9	-178.4	-71.7	170.7	0	0	0	113.3	I581 I589 E590	L546-I581 HydrophobicContact CB-CB 4.37Å; L546-I581 HydrophobicContact CB-CD1 4.15Å; L546-I581 HydrophobicContact CB-CG1 4.48Å; L546-I581 PolarHBondContact O-N 3.13Å; L546-I581 VanDerWaalsContact O-N 3.11Å; L546-I589 HydrophobicContact CD1-CB 4.17Å; L546-I589 HydrophobicContact CD1-CG2 3.83Å; L546-E590 HydrophobicContact CD1-CG 3.64Å; L546-E590 WeakPolarHBondContact CD1-OE1 3.12Å; L546-E590 HydrophobicContact CG-CG 4.02Å; L546-E590 VanDerWaalsContact CG-OE1 3.26Å; L546-E590 WeakPolarHBondContact CG-OE1 3.25Å; L546-E590 PolarHBondContact N-OE1 2.86Å
547	L	29.3	Very low	30.9	Very low	94 Å²	94	101.4 Å²	101.4	49%	0.492	58%	0.576	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-121.2	128.3	-179.4	-66.7	177.9	0	0	0	111	L545 F578 L580	L545-L547 HydrophobicContact CD2-CD2 3.99Å; L545-L547 HydrophobicContact CD2-CG 4.12Å; L547-F578 HydrophobicContact CB-CB 4.16Å; L547-F578 HydrophobicContact CB-CD1 4.39Å; L547-F578 HydrophobicContact CD1-CB 4.39Å; L547-L580 HydrophobicContact CD2-CB 4.43Å; L547-L580 HydrophobicContact CD2-CD1 4.04Å
548	Q	36.2	Very low	30.4	Very low	83 Å²	83	102.1 Å²	102.1	39%	0.388	58%	0.584	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-98.4	139.5	174	151.4	176.4	-20.9	0	0	110	S550 F578 T579 I581	Q548-S550 PolarHBondContact O-N 3.45Å; Q548-F578 CarbonylContact O-C 3.53Å; Q548-F578 VanDerWaalsContact O-CA 3.29Å; Q548-F578 WeakPolarHBondContact O-CA 3.49Å; Q548-T579 PolarHBondContact N-O 2.97Å; Q548-T579 PolarHBondContact O-N 3.01Å; Q548-T579 PolarHBondContact O-OG1 3.1Å; Q548-I581 HydrophobicContact CB-CD1 4.06Å; Q548-I581 HydrophobicContact CB-CG1 3.73Å
549	P	30.4	Very low	30.1	Very low	81 Å²	81	106.4 Å²	106.4	53%	0.526	61%	0.607	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-66.8	127.4	168.1	2.1	7.9	0	0	0	110.2	S551 F578	P549-S551 PolarHBondContact O-N 3.04Å; P549-S551 VanDerWaalsContact O-N 3.15Å; P549-F578 HydrophobicContact CB-CD1 4.3Å; P549-F578 HydrophobicContact CB-CE1 4.05Å; P549-F578 HydrophobicContact CG-CE1 4.2Å
550	S	35.8	Very low	29.9	Very low	36 Å²	36	109.5 Å²	109.5	25%	0.252	63%	0.627	S	S	.	*	P	Polyproline II helix	trans	-60.3	118.7	173.8	59.9	0	0	0	0	110	Q548 S552 K577	Q548-S550 PolarHBondContact O-N 3.45Å; S550-S552 PolarHBondContact O-N 2.91Å; S550-K577 WeakPolarHBondContact CB-O 3.35Å; S550-K577 PolarHBondContact N-O 3.4Å; S550-K577 PolarHBondContact OG-O 2.91Å
551	S	36.5	Very low	29.9	Very low	113 Å²	113	111.9 Å²	111.9	79%	0.79	64%	0.635	S	S	*	*			trans	-73.4	64	173	51.6	0	0	0	0	110.7	P549	P549-S551 PolarHBondContact O-N 3.04Å; P549-S551 VanDerWaalsContact O-N 3.15Å
552	S	33.7	Very low	30.2	Very low	100 Å²	100	114.9 Å²	114.9	70%	0.699	65%	0.651	S	S	*	*			trans	-86.4	114.5	162.1	49.8	0	0	0	0	107.9	S550	S550-S552 PolarHBondContact O-N 2.91Å
553	G	34	Very low	30.4	Very low	65 Å²	65	117.2 Å²	117.2	67%	0.67	65%	0.651	S	S	*	*			trans	-55.1	147.5	-166.2	0	0	0	0	0	114.9	V555	G553-V555 VanDerWaalsContact C-N 3.34Å; G553-V555 PolarHBondContact O-N 3.48Å
554	F	29.5	Very low	30.7	Very low	205 Å²	205	114.8 Å²	114.8	90%	0.899	65%	0.647	S	S	*	*			trans	-55.7	96.5	160	-83.1	-99.2	0	0	0	108.8	I556	F554-I556 VanDerWaalsContact C-N 3.28Å; F554-I556 PolarHBondContact O-N 3.47Å
555	V	28.5	Very low	31	Very low	123 Å²	123	118.1 Å²	118.1	75%	0.745	66%	0.66	S	S	*	*			trans	-67.7	97.1	162	179.6	0	0	0	0	106.1	G553 N557	G553-V555 VanDerWaalsContact C-N 3.34Å; G553-V555 PolarHBondContact O-N 3.48Å; V555-N557 VanDerWaalsContact C-N 3.32Å; V555-N557 PolarHBondContact O-N 3.47Å
556	I	29	Very low	31.2	Very low	134 Å²	134	119.1 Å²	119.1	69%	0.687	67%	0.666	S	S	*	*			trans	-65.4	98	168.4	-61.1	173	0	0	0	105.5	F554 N558	F554-I556 VanDerWaalsContact C-N 3.28Å; F554-I556 PolarHBondContact O-N 3.47Å; I556-N558 PolarHBondContact O-N 3.37Å
557	N	28.4	Very low	31.4	Very low	134 Å²	134	124.3 Å²	124.3	72%	0.717	69%	0.694	S	S	*	*			trans	-65.2	83.7	172.7	-99.6	-9.5	0	0	0	109.3	V555 N559	V555-N557 VanDerWaalsContact C-N 3.32Å; V555-N557 PolarHBondContact O-N 3.47Å; N557-N559 PolarHBondContact O-N 3.48Å
558	N	27.6	Very low	31.5	Very low	141 Å²	141	127.3 Å²	127.3	75%	0.754	71%	0.711	S	S	*	*			trans	-78	66.8	163.7	-90.8	-6.5	0	0	0	109.2	I556	I556-N558 PolarHBondContact O-N 3.37Å
559	N	29.1	Very low	31.3	Very low	146 Å²	146	130.8 Å²	130.8	78%	0.781	73%	0.732	S	S	*	*			trans	-118.9	64	164.9	-85.8	-10.5	0	0	0	109.2	N557 N561	N557-N559 PolarHBondContact O-N 3.48Å; N559-N561 PolarHBondContact O-N 3.06Å
560	N	29.2	Very low	31.3	Very low	157 Å²	157	134.4 Å²	134.4	84%	0.84	75%	0.747	S	S	*	*			trans	-79	94.2	151.7	-85	-15.9	0	0	0	106.6
561	N	29.6	Very low	31.1	Very low	143 Å²	143	141.6 Å²	141.6	77%	0.765	78%	0.777	S	S	*	*			trans	179.4	130.3	140.1	-89.3	-21.5	0	0	0	111.6	N559	N559-N561 PolarHBondContact O-N 3.06Å
562	N	32.3	Very low	30.9	Very low	137 Å²	137	143 Å²	143	73%	0.733	78%	0.776	S	S	*	*			trans	79.2	98.8	153.2	-61.7	-17.4	0	0	0	119.7
563	N	31.3	Very low	30.9	Very low	139 Å²	139	144.3 Å²	144.3	74%	0.743	78%	0.775	S	S	*	*				57.5	118.8	122	-71.8	-11.4	0	0	0	120.6
564	N	31.9	Very low	30.7	Very low	136 Å²	136	148.4 Å²	148.4	73%	0.727	78%	0.781	S	S	*	*			trans	84.6	128.2	138.1	-69.7	-12.3	0	0	0	120.2
565	N	32.9	Very low	30.9	Very low	141 Å²	141	145.8 Å²	145.8	75%	0.754	78%	0.775	S	S	*	*			trans	90.1	103	151.6	-63.6	-14.2	0	0	0	118.4
566	N	31.7	Very low	31.1	Very low	148 Å²	148	144.8 Å²	144.8	79%	0.791	77%	0.765	S	S	*	*			trans	24.9	111.3	130.9	-68.5	-11.1	0	0	0	116.4
567	N	32.6	Very low	31.2	Very low	155 Å²	155	146.4 Å²	146.4	83%	0.829	77%	0.767	S	S	*	*				-170.2	136	113.7	-91.2	-24.5	0	0	0	111.3	N569	N567-N569 PolarHBondContact O-N 3.24Å
568	N	32.4	Very low	31.3	Very low	156 Å²	156	145 Å²	145	83%	0.834	76%	0.755	S	S	*	*			trans	-49.6	124.1	168.6	-67.2	-37.3	0	0	0	110.3
569	N	31.6	Very low	31.6	Very low	156 Å²	156	141.2 Å²	141.2	83%	0.834	74%	0.737	S	S	*	*			trans	-149.7	128.8	150.3	-90.2	-27.3	0	0	0	108.9	N567 E571	N567-N569 PolarHBondContact O-N 3.24Å; N569-E571 PolarHBondContact O-N 3.23Å; N569-E571 VanDerWaalsContact O-N 3.11Å
570	N	30.9	Very low	31.7	Very low	157 Å²	157	139.7 Å²	139.7	84%	0.84	73%	0.728	S	S	*	*			trans	-56.9	106.6	179.4	-70.1	-33.9	0	0	0	110.4	D572	N570-D572 PolarHBondContact O-N 2.88Å
571	E	30.8	Very low	31.9	Very low	188 Å²	188	133.7 Å²	133.7	88%	0.879	70%	0.696	S	S	*	*			trans	-77.6	96.5	160.4	-76.6	-172.8	162.6	0	0	107.8	N569 N573	N569-E571 PolarHBondContact O-N 3.23Å; N569-E571 VanDerWaalsContact O-N 3.11Å; E571-N573 PolarHBondContact O-N 3.36Å
572	D	31.9	Very low	32.3	Very low	143 Å²	143	130.3 Å²	130.3	77%	0.765	68%	0.682	S	S	*	*			trans	-53.3	128.9	169.4	-79.3	-41.2	0	0	0	110.2	N570 N574	N570-D572 PolarHBondContact O-N 2.88Å; D572-N574 PolarHBondContact O-N 2.97Å
573	N	33.7	Very low	32.4	Very low	127 Å²	127	128 Å²	128	68%	0.679	68%	0.676	S	S	*	*			trans	-53.7	112	179.8	-70.9	-61.2	0	0	0	110.3	E571 I575	E571-N573 PolarHBondContact O-N 3.36Å; N573-I575 VanDerWaalsContact C-N 3.26Å; N573-I575 PolarHBondContact O-N 3.05Å
574	N	29.3	Very low	32.7	Very low	151 Å²	151	124.9 Å²	124.9	81%	0.807	67%	0.665	S	S	*	*			trans	-57.6	91.8	161.2	-88.3	-27.9	0	0	0	109	D572	D572-N574 PolarHBondContact O-N 2.97Å
575	I	33.7	Very low	32.7	Very low	149 Å²	149	123.4 Å²	123.4	76%	0.764	65%	0.654	S	S	*	*			trans	-72	120.9	171.5	-68.6	163.6	0	0	0	106.6	N573 K577	N573-I575 VanDerWaalsContact C-N 3.26Å; N573-I575 PolarHBondContact O-N 3.05Å; I575-K577 PolarHBondContact O-N 2.98Å
576	N	33	Very low	32.4	Very low	103 Å²	103	117.4 Å²	117.4	55%	0.551	62%	0.623	S	S	*	*			trans	-49.9	112.1	176.3	-65.4	-18.5	0	0	0	109.7	F578	N576-F578 HydrophobicContact CB-CE2 4.39Å; N576-F578 WeakPolarHBondContact O-CD2 3.28Å; N576-F578 PolarHBondContact O-N 3.3Å; N576-F578 VanDerWaalsContact O-N 3.12Å
577	K	30.6	Very low	32.3	Very low	168 Å²	168	114 Å²	114	73%	0.73	61%	0.608	S	S	*	*			trans	-78.1	100.3	-178.7	-153.6	175.6	-174.4	-179.3	0	107.6	S550 I575 T579	S550-K577 WeakPolarHBondContact CB-O 3.35Å; S550-K577 PolarHBondContact N-O 3.4Å; S550-K577 PolarHBondContact OG-O 2.91Å; I575-K577 PolarHBondContact O-N 2.98Å; K577-T579 PolarHBondContact O-N 2.93Å
578	F	30.6	Very low	32.3	Very low	104 Å²	104	113.6 Å²	113.6	46%	0.456	59%	0.594	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-67.4	129.3	174.6	-69.9	-86.4	0	0	0	109.7	L547 Q548 P549 N576	L547-F578 HydrophobicContact CB-CB 4.16Å; L547-F578 HydrophobicContact CB-CD1 4.39Å; L547-F578 HydrophobicContact CD1-CB 4.39Å; Q548-F578 CarbonylContact O-C 3.53Å; Q548-F578 VanDerWaalsContact O-CA 3.29Å; Q548-F578 WeakPolarHBondContact O-CA 3.49Å; P549-F578 HydrophobicContact CB-CD1 4.3Å; P549-F578 HydrophobicContact CB-CE1 4.05Å; P549-F578 HydrophobicContact CG-CE1 4.2Å; N576-F578 HydrophobicContact CB-CE2 4.39Å; N576-F578 WeakPolarHBondContact O-CD2 3.28Å; N576-F578 PolarHBondContact O-N 3.3Å; N576-F578 VanDerWaalsContact O-N 3.12Å
579	T	34.4	Very low	32.1	Very low	62 Å²	62	108.7 Å²	108.7	38%	0.38	57%	0.568	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-101.5	132.4	174.9	42.7	0	0	0	0	109.4	Q548 K577 I581	Q548-T579 PolarHBondContact N-O 2.97Å; Q548-T579 PolarHBondContact O-N 3.01Å; Q548-T579 PolarHBondContact O-OG1 3.1Å; K577-T579 PolarHBondContact O-N 2.93Å; T579-I581 PolarHBondContact O-N 3.09Å
580	L	32.1	Very low	32	Very low	113 Å²	113	102 Å²	102	59%	0.592	53%	0.531	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-57.5	126.9	173	-168.7	79.7	0	0	0	109.4	L545 L547	L545-L580 HydrophobicContact CD2-CD1 3.58Å; L545-L580 HydrophobicContact CG-CD1 3.91Å; L547-L580 HydrophobicContact CD2-CB 4.43Å; L547-L580 HydrophobicContact CD2-CD1 4.04Å
581	I	33.6	Very low	32.1	Very low	31 Å²	31	98.5 Å²	98.5	16%	0.159	51%	0.509	C	S	.	.	P	Polyproline II helix	trans	-68	130.7	172.4	-63.7	-175.6	0	0	0	107.2	L546 Q548 T579 S583 Q585	L546-I581 HydrophobicContact CB-CB 4.37Å; L546-I581 HydrophobicContact CB-CD1 4.15Å; L546-I581 HydrophobicContact CB-CG1 4.48Å; L546-I581 PolarHBondContact O-N 3.13Å; L546-I581 VanDerWaalsContact O-N 3.11Å; Q548-I581 HydrophobicContact CB-CD1 4.06Å; Q548-I581 HydrophobicContact CB-CG1 3.73Å; T579-I581 PolarHBondContact O-N 3.09Å; I581-S583 PolarHBondContact O-N 2.88Å; I581-Q585 HydrophobicContact CG2-CB 3.66Å
582	P	38.3	Very low	32.4	Very low	72 Å²	72	90.7 Å²	90.7	47%	0.468	47%	0.472	S	S	.	.	P	Polyproline II helix	trans	-51.9	139.4	-178.9	-26.5	34	0	0	0	111.7	S584 Q585 S586	P582-S584 PolarHBondContact O-N 3.04Å; P582-Q585 PolarHBondContact O-N 3.18Å; P582-S586 PolarHBondContact O-N 3.36Å
583	S	33.2	Very low	32.7	Very low	89 Å²	89	84.5 Å²	84.5	62%	0.622	44%	0.44	S	S	*	.	H	α-helix	trans	-53.3	-30.6	-174.5	51.5	0	0	0	0	113.9	I581 Q585 S586 V587	I581-S583 PolarHBondContact O-N 2.88Å; S583-Q585 VanDerWaalsContact C-N 3.3Å; S583-Q585 PolarHBondContact O-N 3.11Å; S583-S586 WeakPolarHBondContact CA-OG 3.37Å; S583-S586 PolarHBondContact O-OG 3.4Å; S583-V587 VanDerWaalsContact O-CB 3.3Å; S583-V587 WeakPolarHBondContact O-CB 3.49Å; S583-V587 WeakPolarHBondContact O-CG2 3.25Å; S583-V587 PolarHBondContact O-N 2.88Å
584	S	37.1	Very low	32.8	Very low	73 Å²	73	80.2 Å²	80.2	51%	0.51	42%	0.416	S	S	.	.	H	α-helix	trans	-65.7	-29.7	175.9	56.4	0	0	0	0	113.7	P582 R588	P582-S584 PolarHBondContact O-N 3.04Å; S584-R588 WeakPolarHBondContact O-CD 3.43Å; S584-R588 WeakPolarHBondContact O-CG 3.41Å; S584-R588 PolarHBondContact O-NE 3Å
585	Q	32.1	Very low	33.3	Very low	105 Å²	105	73.8 Å²	73.8	49%	0.491	38%	0.384	S	S	.	.	H	α-helix	trans	-92.1	-35	176.5	-70.6	178.7	-4.9	0	0	111.7	I581 P582 S583	I581-Q585 HydrophobicContact CG2-CB 3.66Å; P582-Q585 PolarHBondContact O-N 3.18Å; S583-Q585 VanDerWaalsContact C-N 3.3Å; S583-Q585 PolarHBondContact O-N 3.11Å
586	S	27.6	Very low	33.6	Very low	15 Å²	15	68.4 Å²	68.4	11%	0.105	36%	0.356	C	S	.	.	H	α-helix	trans	-67.2	-44.8	179.5	80.9	0	0	0	0	111.9	P582 S583 R588 I589 E590	P582-S586 PolarHBondContact O-N 3.36Å; S583-S586 WeakPolarHBondContact CA-OG 3.37Å; S583-S586 PolarHBondContact O-OG 3.4Å; S586-R588 VanDerWaalsContact C-N 3.27Å; S586-R588 PolarHBondContact O-N 3.46Å; S586-I589 PolarHBondContact O-N 3.24Å; S586-I589 VanDerWaalsContact O-N 3.17Å; S586-E590 WeakPolarHBondContact O-CB 3.36Å; S586-E590 VanDerWaalsContact O-CG 3.22Å; S586-E590 WeakPolarHBondContact O-CG 3.16Å; S586-E590 PolarHBondContact O-N 2.88Å
587	V	28.7	Very low	34	Very low	77 Å²	77	65.8 Å²	65.8	47%	0.467	34%	0.342	S	S	.	.	H	α-helix	trans	-59.6	-37.6	-179.2	170.9	0	0	0	0	111.9	S583 F591	S583-V587 VanDerWaalsContact O-CB 3.3Å; S583-V587 WeakPolarHBondContact O-CB 3.49Å; S583-V587 WeakPolarHBondContact O-CG2 3.25Å; S583-V587 PolarHBondContact O-N 2.88Å; V587-F591 PolarHBondContact O-N 3.03Å
588	R	32.7	Very low	34.6	Very low	146 Å²	146	59 Å²	59	55%	0.551	31%	0.313	S	S	*	.	H	α-helix	trans	-67.5	-35.8	-179.7	-68.5	177.6	-174.6	-176.5	-1.5	112.9	S584 S586 H592	S584-R588 WeakPolarHBondContact O-CD 3.43Å; S584-R588 WeakPolarHBondContact O-CG 3.41Å; S584-R588 PolarHBondContact O-NE 3Å; S586-R588 VanDerWaalsContact C-N 3.27Å; S586-R588 PolarHBondContact O-N 3.46Å; R588-H592 PolarHBondContact O-CD2 3.02Å
589	I	28.6	Very low	35	Very low	54 Å²	54	55.7 Å²	55.7	28%	0.277	30%	0.3	S	S	.	.	H	α-helix	trans	-87.6	-39.6	-173.9	-72.2	173.1	0	0	0	111.2	Q371 L546 S586	Q371-I589 VanDerWaalsContact OE1-CG2 3.23Å; L546-I589 HydrophobicContact CD1-CB 4.17Å; L546-I589 HydrophobicContact CD1-CG2 3.83Å; S586-I589 PolarHBondContact O-N 3.24Å; S586-I589 VanDerWaalsContact O-N 3.17Å
590	E	28.6	Very low	35.2	Very low	14 Å²	14	54.2 Å²	54.2	7%	0.065	29%	0.291	C	S	.	.	H	α-helix	trans	-65.3	-42.6	-177.4	-72.3	165.5	-177.6	0	0	111.7	C544 L546 S586 H592 E594	C544-E590 VanDerWaalsContact C-OE1 3.29Å; C544-E590 HydrophobicContact CB-CG 3.98Å; C544-E590 VanDerWaalsContact O-CD 3.22Å; L546-E590 HydrophobicContact CD1-CG 3.64Å; L546-E590 WeakPolarHBondContact CD1-OE1 3.12Å; L546-E590 HydrophobicContact CG-CG 4.02Å; L546-E590 VanDerWaalsContact CG-OE1 3.26Å; L546-E590 WeakPolarHBondContact CG-OE1 3.25Å; L546-E590 PolarHBondContact N-OE1 2.86Å; S586-E590 WeakPolarHBondContact O-CB 3.36Å; S586-E590 VanDerWaalsContact O-CG 3.22Å; S586-E590 WeakPolarHBondContact O-CG 3.16Å; S586-E590 PolarHBondContact O-N 2.88Å; E590-H592 PolarHBondContact O-N 3.49Å; E590-E594 WeakPolarHBondContact O-CG 3.48Å; E590-E594 PolarHBondContact O-N 3.44Å
591	F	33.8	Very low	35.5	Very low	85 Å²	85	53 Å²	53	37%	0.373	29%	0.285	S	S	.	.	H	α-helix	trans	-62.2	-40.7	-173.1	-126.6	-94.2	0	0	0	114.2	P540 V587 A595	P540-F591 HydrophobicContact CB-CE1 3.62Å; P540-F591 HydrophobicContact CB-CE2 4.31Å; P540-F591 HydrophobicContact CB-CZ 3.32Å; V587-F591 PolarHBondContact O-N 3.03Å; F591-A595 PolarHBondContact O-N 2.6Å
592	H	36.6	Very low	35.8	Very low	23 Å²	23	53.4 Å²	53.4	11%	0.106	29%	0.285	C	S	.	.	H	α-helix	trans	-78.1	-34	-173.3	-70.3	-61.5	0	0	0	113.3	Y520 R588 E590	Y520-H592 AromaticContact CE2-CE1 3.63Å; Y520-H592 AromaticContact CE2-ND1 3.68Å; R588-H592 PolarHBondContact O-CD2 3.02Å; E590-H592 PolarHBondContact O-N 3.49Å
593	V	37.5	Very low	35.8	Very low	14 Å²	14	52.1 Å²	52.1	9%	0.085	27%	0.274	C	S	.	.	H	α-helix	trans	-72.4	-41.7	177.1	177.3	0	0	0	0	110.4	A375 I596 L597	A375-V593 HydrophobicContact CB-CG1 4.2Å; V593-I596 PolarHBondContact O-N 3.28Å; V593-L597 HydrophobicContact CG1-CD1 3.93Å; V593-L597 HydrophobicContact CG1-CG 4.49Å; V593-L597 WeakPolarHBondContact O-CG 3.4Å; V593-L597 PolarHBondContact O-N 3.32Å; V593-L597 VanDerWaalsContact O-N 3.1Å
594	E	36.3	Very low	36.1	Very low	37 Å²	37	53.9 Å²	53.9	17%	0.173	27%	0.268	C	S	.	.	H	α-helix	trans	-64.5	-44	179.5	-73.3	-177.8	175.8	0	0	111.7	I541 E590 I596 L597 D598	I541-E594 HydrophobicContact CB-CB 4.46Å; I541-E594 WeakPolarHBondContact CB-OE2 3.4Å; I541-E594 HydrophobicContact CD1-CB 4.47Å; E590-E594 WeakPolarHBondContact O-CG 3.48Å; E590-E594 PolarHBondContact O-N 3.44Å; E594-I596 PolarHBondContact O-N 2.98Å; E594-L597 PolarHBondContact O-N 3.28Å; E594-D598 WeakPolarHBondContact O-CB 3.41Å; E594-D598 PolarHBondContact O-N 3.12Å
595	A	40.7	Very low	36.2	Very low	16 Å²	16	52.1 Å²	52.1	13%	0.132	26%	0.256	C	S	.	.	H	α-helix	trans	-62.4	-38.2	179	0	0	0	0	0	113.7	F591 D598 L599	F591-A595 PolarHBondContact O-N 2.6Å; A595-D598 PolarHBondContact O-N 3.46Å; A595-L599 WeakPolarHBondContact O-CB 3.48Å; A595-L599 PolarHBondContact O-N 3Å
596	I	40.3	Very low	36.3	Very low	36 Å²	36	52.2 Å²	52.2	19%	0.185	26%	0.26	C	S	.	.	H	α-helix	trans	-70.4	-40.1	176.1	-67	175.4	0	0	0	110.7	V510 W515 V593 E594 D598 L599 V600	V510-I596 HydrophobicContact CG1-CD1 4.41Å; V510-I596 HydrophobicContact CG2-CD1 4.32Å; W515-I596 HydrophobicContact CZ2-CD1 4.21Å; V593-I596 PolarHBondContact O-N 3.28Å; E594-I596 PolarHBondContact O-N 2.98Å; I596-D598 VanDerWaalsContact C-N 3.31Å; I596-L599 WeakPolarHBondContact O-CB 3.44Å; I596-L599 PolarHBondContact O-N 2.82Å; I596-V600 WeakPolarHBondContact O-CG2 3.09Å; I596-V600 PolarHBondContact O-N 3.02Å
597	L	41.3	Very low	36.7	Very low	47 Å²	47	59.7 Å²	59.7	25%	0.246	29%	0.291	C	S	.	.	H	α-helix	trans	-65.5	-37.8	175.7	-70.4	173.6	0	0	0	111	A375 L376 V593 E594 L599 V600 I601	A375-L597 HydrophobicContact CB-CD1 3.91Å; L376-L597 HydrophobicContact CD2-CD2 4.19Å; V593-L597 HydrophobicContact CG1-CD1 3.93Å; V593-L597 HydrophobicContact CG1-CG 4.49Å; V593-L597 WeakPolarHBondContact O-CG 3.4Å; V593-L597 PolarHBondContact O-N 3.32Å; V593-L597 VanDerWaalsContact O-N 3.1Å; E594-L597 PolarHBondContact O-N 3.28Å; L597-L599 VanDerWaalsContact C-N 3.35Å; L597-V600 CarbonylContact O-C 3.5Å; L597-V600 WeakPolarHBondContact O-CB 3.31Å; L597-V600 PolarHBondContact O-N 3.45Å; L597-V600 VanDerWaalsContact O-N 3.17Å; L597-I601 WeakPolarHBondContact O-CB 3.2Å; L597-I601 WeakPolarHBondContact O-CD1 3.36Å; L597-I601 WeakPolarHBondContact O-CG1 3.34Å; L597-I601 PolarHBondContact O-N 2.89Å
598	D	41.7	Very low	36.7	Very low	26 Å²	26	60.9 Å²	60.9	14%	0.139	30%	0.298	C	S	.	.	H	α-helix	trans	-64.9	-40.7	174.7	-148.5	45.6	0	0	0	111.2	I541 E594 A595 I596 V600 I601 Q602	I541-D598 HydrophobicContact CD1-CB 4.13Å; E594-D598 WeakPolarHBondContact O-CB 3.41Å; E594-D598 PolarHBondContact O-N 3.12Å; A595-D598 PolarHBondContact O-N 3.46Å; I596-D598 VanDerWaalsContact C-N 3.31Å; D598-V600 VanDerWaalsContact C-N 3.27Å; D598-V600 PolarHBondContact O-N 3.44Å; D598-I601 PolarHBondContact O-N 3.49Å; D598-I601 VanDerWaalsContact O-N 3.12Å; D598-Q602 WeakPolarHBondContact O-CB 3.49Å; D598-Q602 VanDerWaalsContact O-CG 3.3Å; D598-Q602 WeakPolarHBondContact O-CG 3.39Å; D598-Q602 PolarHBondContact O-N 3.24Å; D598-Q602 PolarHBondContact OD2-NE2 2.94Å; D598-Q602 VanDerWaalsContact OD2-NE2 3.12Å
599	L	39.6	Very low	36.6	Very low	34 Å²	34	62.2 Å²	62.2	18%	0.178	32%	0.316	C	S	.	.	H	α-helix	trans	-59	-37.8	172.2	-152.3	113.1	0	0	0	112.4	V321 L536 L538 A595 I596 L597 L603	V321-L599 HydrophobicContact CG2-CD2 4.4Å; L536-L599 HydrophobicContact CB-CD1 4.44Å; L536-L599 HydrophobicContact CD1-CD1 3.87Å; L536-L599 HydrophobicContact CD1-CD2 4.09Å; L536-L599 HydrophobicContact CD1-CG 3.84Å; L538-L599 HydrophobicContact CD2-CD1 4.28Å; A595-L599 WeakPolarHBondContact O-CB 3.48Å; A595-L599 PolarHBondContact O-N 3Å; I596-L599 WeakPolarHBondContact O-CB 3.44Å; I596-L599 PolarHBondContact O-N 2.82Å; L597-L599 VanDerWaalsContact C-N 3.35Å; L599-L603 VanDerWaalsContact O-CD1 3.28Å; L599-L603 WeakPolarHBondContact O-CD1 3.48Å; L599-L603 VanDerWaalsContact O-CG 3.26Å; L599-L603 WeakPolarHBondContact O-CG 3.45Å
600	V	38.2	Very low	36.6	Very low	31 Å²	31	64.1 Å²	64.1	19%	0.188	34%	0.34	C	S	.	.	H	α-helix	trans	-72.2	-41.2	174.4	173.9	0	0	0	0	110.9	F353 I508 I596 L597 D598 L603 Y604	F353-V600 HydrophobicContact CZ-CG2 4.24Å; I508-V600 HydrophobicContact CD1-CG2 3.67Å; I596-V600 WeakPolarHBondContact O-CG2 3.09Å; I596-V600 PolarHBondContact O-N 3.02Å; L597-V600 CarbonylContact O-C 3.5Å; L597-V600 WeakPolarHBondContact O-CB 3.31Å; L597-V600 PolarHBondContact O-N 3.45Å; L597-V600 VanDerWaalsContact O-N 3.17Å; D598-V600 VanDerWaalsContact C-N 3.27Å; D598-V600 PolarHBondContact O-N 3.44Å; V600-L603 WeakPolarHBondContact O-CB 3.48Å; V600-L603 PolarHBondContact O-N 2.9Å; V600-Y604 HydrophobicContact CG1-CD2 3.98Å; V600-Y604 HydrophobicContact CG1-CE2 3.72Å; V600-Y604 WeakPolarHBondContact O-CD2 3.11Å
601	I	40.1	Very low	36.5	Very low	89 Å²	89	72.4 Å²	72.4	46%	0.456	38%	0.379	S	S	.	.	H	α-helix	trans	-63.8	-48.1	-179.9	-71.6	161.8	0	0	0	110.9	L597 D598 L603 Y604 S605	L597-I601 WeakPolarHBondContact O-CB 3.2Å; L597-I601 WeakPolarHBondContact O-CD1 3.36Å; L597-I601 WeakPolarHBondContact O-CG1 3.34Å; L597-I601 PolarHBondContact O-N 2.89Å; D598-I601 PolarHBondContact O-N 3.49Å; D598-I601 VanDerWaalsContact O-N 3.12Å; I601-L603 PolarHBondContact O-N 3.05Å; I601-Y604 PolarHBondContact O-N 2.73Å; I601-S605 PolarHBondContact O-N 2.89Å; I601-S605 PolarHBondContact O-OG 2.65Å
602	Q	39.4	Very low	36.1	Very low	38 Å²	38	76.6 Å²	76.6	18%	0.178	40%	0.403	C	S	.	.	H	α-helix	trans	-57.3	-34.3	177.4	-70.2	174.7	24.3	0	0	111.8	L536 E537 D598 Y604	L536-Q602 HydrophobicContact CD2-CB 4.28Å; E537-Q602 PolarHBondContact O-NE2 2.8Å; E537-Q602 PolarHBondContact O-OE1 2.81Å; D598-Q602 WeakPolarHBondContact O-CB 3.49Å; D598-Q602 VanDerWaalsContact O-CG 3.3Å; D598-Q602 WeakPolarHBondContact O-CG 3.39Å; D598-Q602 PolarHBondContact O-N 3.24Å; D598-Q602 PolarHBondContact OD2-NE2 2.94Å; D598-Q602 VanDerWaalsContact OD2-NE2 3.12Å; Q602-Y604 PolarHBondContact O-N 3.46Å
603	L	38.8	Very low	35.5	Very low	45 Å²	45	82.6 Å²	82.6	24%	0.236	44%	0.436	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-6.2	176	-74.2	168.2	0	0	0	114.9	V321 I499 L536 L599 V600 I601	V321-L603 HydrophobicContact CG2-CD1 3.64Å; I499-L603 WeakPolarHBondContact CD1-O 3.47Å; L536-L603 HydrophobicContact CD2-CD2 4.43Å; L536-L603 HydrophobicContact CD2-CG 4.4Å; L599-L603 VanDerWaalsContact O-CD1 3.28Å; L599-L603 WeakPolarHBondContact O-CD1 3.48Å; L599-L603 VanDerWaalsContact O-CG 3.26Å; L599-L603 WeakPolarHBondContact O-CG 3.45Å; V600-L603 WeakPolarHBondContact O-CB 3.48Å; V600-L603 PolarHBondContact O-N 2.9Å; I601-L603 PolarHBondContact O-N 3.05Å
604	Y	39.2	Very low	35.4	Very low	126 Å²	126	87.2 Å²	87.2	49%	0.494	47%	0.467	S	S	.	.	T	Hydrogen-bonded Turn	trans	-117.4	4.5	177.6	-71.7	-68.5	0	0	0	113.9	I499 V600 I601 Q602	I499-Y604 VanDerWaalsContact CG1-C 3.41Å; V600-Y604 HydrophobicContact CG1-CD2 3.98Å; V600-Y604 HydrophobicContact CG1-CE2 3.72Å; V600-Y604 WeakPolarHBondContact O-CD2 3.11Å; I601-Y604 PolarHBondContact O-N 2.73Å; Q602-Y604 PolarHBondContact O-N 3.46Å
605	S	37.7	Very low	34.8	Very low	36 Å²	36	95 Å²	95	25%	0.252	50%	0.5	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.3	-10.8	-176	39.1	0	0	0	0	119.7	V497 Q498 I601 K607	V497-S605 CarbonylContact C-O 3.45Å; V497-S605 WeakPolarHBondContact CG1-O 3.39Å; V497-S605 WeakPolarHBondContact O-CA 3.43Å; V497-S605 WeakPolarHBondContact O-CB 3.47Å; Q498-S605 PolarHBondContact N-O 2.76Å; I601-S605 PolarHBondContact O-N 2.89Å; I601-S605 PolarHBondContact O-OG 2.65Å; S605-K607 PolarHBondContact O-N 3.4Å; S605-K607 VanDerWaalsContact O-N 3.17Å
606	D	35.6	Very low	34.2	Very low	108 Å²	108	102.4 Å²	102.4	58%	0.578	54%	0.537	S	S	*	.			trans	-76.8	89.1	179.4	-67.2	-26.7	0	0	0	117.2	Q498 I499	Q498-D606 CarbonylContact O-C 3.58Å; I499-D606 HydrophobicContact CD1-CB 3.66Å; I499-D606 VanDerWaalsContact CG1-C 3.49Å; I499-D606 HydrophobicContact CG1-CB 4.04Å; I499-D606 VanDerWaalsContact CG1-O 3.27Å; I499-D606 WeakPolarHBondContact CG1-O 3.25Å
607	K	34.8	Very low	33.5	Very low	171 Å²	171	108.9 Å²	108.9	74%	0.743	57%	0.566	S	S	*	*			trans	144.2	96.6	138.3	-77.1	163.6	-176.6	-174.8	0	114.6	Q498 S605	Q498-K607 CarbonylContact O-C 3.48Å; Q498-K607 VanDerWaalsContact O-C 3.25Å; Q498-K607 PolarHBondContact O-N 2.91Å; S605-K607 PolarHBondContact O-N 3.4Å; S605-K607 VanDerWaalsContact O-N 3.17Å
608	T	30.3	Very low	32.7	Very low	102 Å²	102	115 Å²	115	63%	0.626	59%	0.593	S	S	*	*			trans	-151.7	102.8	138	49.3	0	0	0	0	109.9	V497	V497-T608 WeakPolarHBondContact CG1-OG1 3.5Å
609	N	30.5	Very low	31.9	Very low	174 Å²	174	123.1 Å²	123.1	93%	0.93	63%	0.633	S	S	*	*			trans	-141.5	95	163.6	-93.3	-18.6	0	0	0	108.3
610	A	27.8	Very low	31.2	Very low	95 Å²	95	130.6 Å²	130.6	79%	0.785	67%	0.667	S	S	*	*			trans	-134.5	127.9	157.3	0	0	0	0	0	107.5
611	E	26.8	Very low	30.5	Very low	187 Å²	187	132.4 Å²	132.4	87%	0.874	69%	0.692	S	S	*	*			trans	79.5	76.8	168.7	-56.2	-176.1	175.6	0	0	117.6
612	I	26	Very low	29.9	Very low	173 Å²	173	134.9 Å²	134.9	89%	0.887	71%	0.711	S	S	*	*			trans	-125.5	114.5	142.7	-59	-179.1	0	0	0	108.8
613	N	24	Very low	29.1	Very low	149 Å²	149	140.2 Å²	140.2	80%	0.797	74%	0.741	S	S	*	*			trans	-60.5	134.2	-175.6	-153	-6.6	0	0	0	111.7	K615	N613-K615 PolarHBondContact O-N 2.65Å
614	P	33.6	Very low	28.5	Very low	112 Å²	112	147.5 Å²	147.5	73%	0.727	77%	0.77	S	S	*	*			trans	-84.2	118.6	-174.2	33	-30	0	0	0	110.5
615	K	24.9	Very low	27.7	Very low	199 Å²	199	147 Å²	147	87%	0.865	78%	0.781	S	S	*	*			trans	-119.9	82.3	156.9	-80.1	-172.6	173.6	-171.7	0	107.1	N613	N613-K615 PolarHBondContact O-N 2.65Å
616	L	27	Very low	27	Very low	173 Å²	173	150.7 Å²	150.7	91%	0.906	80%	0.801	S	S	*	*			trans	-101.1	103.9	161.1	-133.7	85.7	0	0	0	106
617	E	25.8	Very low	26.4	Very low	171 Å²	171	152.4 Å²	152.4	80%	0.799	81%	0.811	S	S	*	*			trans	-65.9	125.3	172.4	-71.6	171.5	161.4	0	0	109.5
618	E	24.8	Very low	25.9	Very low	175 Å²	175	152.6 Å²	152.6	82%	0.818	82%	0.818	S	S	*	*				28.3	97.7	128.1	-64.9	175.9	174.8	0	0	116.9
619	M	25.9	Very low	25.6	Very low	198 Å²	198	154.7 Å²	154.7	98%	0.975	83%	0.825	S	S	*	*			trans	-135.9	106.8	133.6	-89.4	-161.4	160.7	0	0	109.2
620	E	23.8	Very low	25.4	Very low	191 Å²	191	154.8 Å²	154.8	89%	0.893	82%	0.817	S	S	*	*			trans	-66.9	145.9	176.6	-64.7	174.6	132.9	0	0	112.4
621	G	23.8	Very low	25.4	Very low	69 Å²	69	157 Å²	157	71%	0.711	82%	0.817	S	S	*	*				95.8	83.5	125.5	0	0	0	0	0	118
622	V	26.7	Very low	25.5	Very low	140 Å²	140	153.8 Å²	153.8	85%	0.848	81%	0.805	S	S	*	*			trans	-144.6	98.5	134.6	-173.8	0	0	0	0	109
623	D	23.3	Very low	25.7	Very low	151 Å²	151	152.5 Å²	152.5	81%	0.807	80%	0.8	S	S	*	*			trans	-78.1	128.7	163.6	-83.7	-41.5	0	0	0	110.1
624	F	25.8	Very low	26	Very low	197 Å²	197	152.1 Å²	152.1	86%	0.864	80%	0.798	S	S	*	*			trans	-155.9	90.7	147.3	-94.5	-71.6	0	0	0	110.9
625	V	23.9	Very low	25.8	Very low	117 Å²	117	151.3 Å²	151.3	71%	0.709	79%	0.791	S	S	*	*				42.5	105.7	124.2	-174.6	0	0	0	0	119
626	T	21.8	Very low	26.2	Very low	112 Å²	112	146.3 Å²	146.3	69%	0.687	78%	0.777	S	S	*	*			trans	26.7	137.5	134.9	57.9	0	0	0	0	123
627	D	22.8	Very low	26.2	Very low	145 Å²	145	143.9 Å²	143.9	78%	0.775	76%	0.764	S	S	*	*			trans	79	107.7	149.5	-63.6	-24.5	0	0	0	118.6
628	I	25.4	Very low	26.4	Very low	174 Å²	174	143.4 Å²	143.4	89%	0.892	76%	0.76	S	S	*	*				-156.4	122.8	121.3	-90	142.9	0	0	0	109.6
629	N	24.1	Very low	26.6	Very low	146 Å²	146	137.4 Å²	137.4	78%	0.781	74%	0.737	S	S	*	*			trans	-71.1	149.1	173.9	-124	-38.5	0	0	0	111.3
630	K	26.5	Very low	26.7	Very low	176 Å²	176	132.6 Å²	132.6	77%	0.765	71%	0.714	S	S	*	*			trans	73.5	118.1	162.8	-58.7	175.9	178.4	178.5	0	117.4
631	N	26.1	Very low	26.9	Very low	143 Å²	143	127.8 Å²	127.8	77%	0.765	70%	0.698	S	S	*	*			trans	-167.1	114.2	131.9	-95.6	-9.7	0	0	0	112.1
632	D	29.7	Very low	27.1	Very low	118 Å²	118	132.1 Å²	132.1	63%	0.631	70%	0.699	S	S	*	*				64.4	58.6	124.3	-60.7	-10.5	0	0	0	122.3
633	N	30.3	Very low	27.3	Very low	147 Å²	147	134.2 Å²	134.2	79%	0.786	69%	0.692	S	S	*	*	S	Bend	trans	-100.5	3.7	157	-80.6	-13.8	0	0	0	114.8
634	N	29.2	Very low	27.6	Very low	140 Å²	140	133.8 Å²	133.8	75%	0.749	69%	0.689	S	S	*	*	S	Bend	trans	-101	6.2	-177	-92.2	-14.4	0	0	0	115.9
635	T	30.4	Very low	27.9	Very low	95 Å²	95	131.5 Å²	131.5	58%	0.583	69%	0.685	S	S	*	*	H	α-helix	trans	-93.5	-22.4	175.1	29.9	0	0	0	0	113.7
636	V	32.7	Very low	28.4	Very low	94 Å²	94	132.4 Å²	132.4	57%	0.57	69%	0.686	S	S	*	*	H	α-helix	trans	-71.3	-43.5	178.3	-179.3	0	0	0	0	111.3	K638 S639	V636-K638 PolarHBondContact O-N 3.41Å; V636-S639 PolarHBondContact O-N 3.02Å; V636-S639 PolarHBondContact O-OG 3.44Å; V636-S639 VanDerWaalsContact O-OG 3.05Å
637	L	27.3	Very low	28.9	Very low	122 Å²	122	137.8 Å²	137.8	64%	0.639	69%	0.694	S	S	*	*	H	α-helix	trans	-67	-38	-178.4	-114	94.2	0	0	0	113.3	S639 I640 T641	L637-S639 PolarHBondContact O-N 2.86Å; L637-I640 PolarHBondContact O-N 3.23Å; L637-T641 PolarHBondContact O-N 2.9Å; L637-T641 PolarHBondContact O-OG1 3.42Å
638	K	29.6	Very low	29.4	Very low	162 Å²	162	138.2 Å²	138.2	70%	0.704	70%	0.701	S	S	*	*	H	α-helix	trans	-66.9	-23.8	177.6	-90.5	-173.8	175.5	-178.5	0	113.4	V636	V636-K638 PolarHBondContact O-N 3.41Å
639	S	30.5	Very low	29.8	Very low	49 Å²	49	132.8 Å²	132.8	34%	0.343	68%	0.679	S	S	.	*	H	α-helix	trans	-77.6	-24.6	177.6	87.7	0	0	0	0	113.4	V636 L637	V636-S639 PolarHBondContact O-N 3.02Å; V636-S639 PolarHBondContact O-OG 3.44Å; V636-S639 VanDerWaalsContact O-OG 3.05Å; L637-S639 PolarHBondContact O-N 2.86Å
640	I	27	Very low	30.4	Very low	97 Å²	97	128.7 Å²	128.7	50%	0.497	66%	0.662	S	S	.	*	H	α-helix	trans	-82.1	-41.7	179.8	-62.1	174.2	0	0	0	109.7	L637 H642 R643 L644	L637-I640 PolarHBondContact O-N 3.23Å; I640-H642 VanDerWaalsContact C-N 3.32Å; I640-H642 PolarHBondContact O-N 3.49Å; I640-R643 PolarHBondContact O-N 3.08Å; I640-L644 HydrophobicContact CG2-CD1 4.21Å
641	T	27.9	Very low	30.9	Very low	90 Å²	90	125.5 Å²	125.5	55%	0.552	66%	0.657	S	S	*	*	H	α-helix	trans	-68.8	-29	-179.1	-26.2	0	0	0	0	113.1	L637	L637-T641 PolarHBondContact O-N 2.9Å; L637-T641 PolarHBondContact O-OG1 3.42Å
642	H	27.7	Very low	31.4	Very low	160 Å²	160	125.7 Å²	125.7	74%	0.741	65%	0.653	S	S	*	*	H	α-helix	trans	-82	-18	176.6	-107.6	-71.3	0	0	0	114.3	I640	I640-H642 VanDerWaalsContact C-N 3.32Å; I640-H642 PolarHBondContact O-N 3.49Å
643	R	31.5	Very low	32	Very low	184 Å²	184	124.1 Å²	124.1	69%	0.694	65%	0.645	S	S	*	*	H	α-helix	trans	-85.7	-19.4	179.2	-101.5	-170.4	-88.2	-172.4	-6.1	114.2	I640	I640-R643 PolarHBondContact O-N 3.08Å
644	L	30.2	Very low	32.3	Very low	142 Å²	142	120.1 Å²	120.1	74%	0.743	63%	0.628	S	S	*	*	S	Bend	trans	-88.6	-8.4	-176.1	-75.1	166.5	0	0	0	114.8	I640	I640-L644 HydrophobicContact CG2-CD1 4.21Å
645	L	30.6	Very low	32.8	Very low	148 Å²	148	119.7 Å²	119.7	78%	0.775	62%	0.616	S	S	*	*	S	Bend	trans	-105.5	-4.4	-176.2	-77.7	167.7	0	0	0	115.6
646	D	34.3	Very low	33.5	Very low	137 Å²	137	120.3 Å²	120.3	73%	0.733	62%	0.615	S	S	*	*			trans	-131.8	95.9	174	-88.8	-30.3	0	0	0	110.1
647	R	34.2	Very low	34	Very low	225 Å²	225	123.1 Å²	123.1	85%	0.849	62%	0.622	S	S	*	*			trans	-171.1	108.8	150.8	-101.4	147.4	-162.4	-123.8	3.8	111.8	S649	R647-S649 PolarHBondContact O-N 2.76Å
648	T	32.1	Very low	34.6	Very low	153 Å²	153	121.8 Å²	121.8	94%	0.939	61%	0.614	S	S	*	*			trans	-71.4	73.1	158.4	50.7	0	0	0	0	109.2
649	S	33.7	Very low	35.2	Very low	61 Å²	61	116.4 Å²	116.4	43%	0.427	59%	0.593	S	S	.	*			trans	-81.8	145.1	170.4	47.6	0	0	0	0	110.1	R647 C654	R647-S649 PolarHBondContact O-N 2.76Å; S649-C654 PolarHBondContact OG-SG 3.32Å; S649-C654 VanDerWaalsContact OG-SG 3.35Å
650	S	37.6	Very low	35.9	Very low	60 Å²	60	116.8 Å²	116.8	42%	0.42	60%	0.599	S	S	.	*			trans	-70.4	159.5	177.9	71.1	0	0	0	0	110.5	E652 D653 C654	S650-E652 PolarHBondContact O-N 3.43Å; S650-D653 WeakPolarHBondContact CB-OD2 3.44Å; S650-D653 PolarHBondContact N-OD2 2.97Å; S650-D653 WeakPolarHBondContact O-CB 3.43Å; S650-D653 PolarHBondContact O-N 3.11Å; S650-D653 VanDerWaalsContact O-N 3.09Å; S650-D653 PolarHBondContact OG-N 3.38Å; S650-D653 PolarHBondContact OG-OD2 2.82Å; S650-C654 PolarHBondContact O-N 3.04Å; S650-C654 VanDerWaalsContact O-N 3.13Å
651	V	36.1	Very low	36.7	Very low	109 Å²	109	115 Å²	115	66%	0.661	59%	0.588	S	S	*	*	H	α-helix	trans	-54.3	-38.1	177.4	176.9	0	0	0	0	110.5	C654 W655	V651-C654 PolarHBondContact O-N 3.03Å; V651-W655 PolarHBondContact O-N 2.89Å
652	E	37.1	Very low	37.3	Very low	146 Å²	146	112.9 Å²	112.9	68%	0.682	58%	0.576	S	S	*	*	H	α-helix	trans	-64.4	-41.9	179.6	-148.8	156.9	-167.8	0	0	111.7	S650 C654 W655 D656	S650-E652 PolarHBondContact O-N 3.43Å; E652-C654 PolarHBondContact O-N 3.39Å; E652-W655 PolarHBondContact O-N 3.36Å; E652-D656 PolarHBondContact O-N 3.09Å
653	D	42.2	Very low	38	Very low	86 Å²	86	111 Å²	111	46%	0.46	56%	0.562	S	S	.	*	H	α-helix	trans	-63.1	-41	175.1	-57.8	-51.8	0	0	0	112	S650 W655 D656 E657	S650-D653 WeakPolarHBondContact CB-OD2 3.44Å; S650-D653 PolarHBondContact N-OD2 2.97Å; S650-D653 WeakPolarHBondContact O-CB 3.43Å; S650-D653 PolarHBondContact O-N 3.11Å; S650-D653 VanDerWaalsContact O-N 3.09Å; S650-D653 PolarHBondContact OG-N 3.38Å; S650-D653 PolarHBondContact OG-OD2 2.82Å; D653-W655 VanDerWaalsContact C-N 3.29Å; D653-W655 PolarHBondContact O-N 2.93Å; D653-D656 PolarHBondContact O-N 3.36Å; D653-E657 WeakPolarHBondContact O-CB 3.46Å; D653-E657 PolarHBondContact O-N 3.37Å
654	C	37	Very low	38.7	Very low	63 Å²	63	109.9 Å²	109.9	43%	0.426	56%	0.558	S	S	.	*	H	α-helix	trans	-65.4	-34.6	176.7	-69.8	0	0	0	0	112	S649 S650 V651 E652 M658	S649-C654 PolarHBondContact OG-SG 3.32Å; S649-C654 VanDerWaalsContact OG-SG 3.35Å; S650-C654 PolarHBondContact O-N 3.04Å; S650-C654 VanDerWaalsContact O-N 3.13Å; V651-C654 PolarHBondContact O-N 3.03Å; E652-C654 PolarHBondContact O-N 3.39Å; C654-M658 WeakPolarHBondContact O-CB 3.11Å; C654-M658 PolarHBondContact O-N 3.42Å; C654-M658 VanDerWaalsContact O-N 3.12Å
655	W	38.4	Very low	39.1	Very low	130 Å²	130	111.6 Å²	111.6	49%	0.492	55%	0.554	S	S	.	*	H	α-helix	trans	-73	-42.5	177.3	-86.7	67	0	0	0	112	V651 E652 D653 E657 M658 D659	V651-W655 PolarHBondContact O-N 2.89Å; E652-W655 PolarHBondContact O-N 3.36Å; D653-W655 VanDerWaalsContact C-N 3.29Å; D653-W655 PolarHBondContact O-N 2.93Å; W655-E657 VanDerWaalsContact C-N 3.32Å; W655-E657 PolarHBondContact O-N 3.37Å; W655-M658 PolarHBondContact O-N 3.15Å; W655-D659 PolarHBondContact O-N 3.27Å
656	D	45.1	Very low	39.4	Very low	108 Å²	108	108.2 Å²	108.2	58%	0.578	54%	0.537	S	S	*	.	H	α-helix	trans	-64	-38.2	176.6	-76.6	-13.5	0	0	0	111.4	E652 D653 A660	E652-D656 PolarHBondContact O-N 3.09Å; D653-D656 PolarHBondContact O-N 3.36Å; D656-A660 WeakPolarHBondContact O-CB 3.29Å; D656-A660 PolarHBondContact O-N 3.25Å
657	E	44.5	Very low	39.6	Very low	153 Å²	153	106.6 Å²	106.6	72%	0.715	53%	0.532	S	S	*	.	H	α-helix	trans	-68.7	-35.9	175	-170.7	148.6	-170.3	0	0	112.1	D653 W655 E661	D653-E657 WeakPolarHBondContact O-CB 3.46Å; D653-E657 PolarHBondContact O-N 3.37Å; W655-E657 VanDerWaalsContact C-N 3.32Å; W655-E657 PolarHBondContact O-N 3.37Å; E657-E661 WeakPolarHBondContact O-CB 3.4Å; E657-E661 PolarHBondContact O-N 3.48Å
658	M	38.2	Very low	39.7	Very low	95 Å²	95	102.4 Å²	102.4	47%	0.468	53%	0.526	S	S	.	.	H	α-helix	trans	-69.8	-42	175.4	-163.6	171.4	88.5	0	0	112.5	C654 W655 A660 E661 V662	C654-M658 WeakPolarHBondContact O-CB 3.11Å; C654-M658 PolarHBondContact O-N 3.42Å; C654-M658 VanDerWaalsContact O-N 3.12Å; W655-M658 PolarHBondContact O-N 3.15Å; M658-A660 VanDerWaalsContact C-N 3.34Å; M658-E661 PolarHBondContact O-N 2.88Å; M658-V662 WeakPolarHBondContact O-CG2 3.1Å; M658-V662 PolarHBondContact O-N 2.63Å
659	D	42.4	Very low	39.9	Very low	49 Å²	49	99.1 Å²	99.1	26%	0.262	50%	0.502	S	S	.	.	H	α-helix	trans	-61	-43	174.2	-173.1	62.5	0	0	0	110.9	W655 E661 V662 R663	W655-D659 PolarHBondContact O-N 3.27Å; D659-E661 PolarHBondContact O-N 3.26Å; D659-V662 PolarHBondContact O-N 3.17Å; D659-R663 VanDerWaalsContact O-CG 3.29Å; D659-R663 WeakPolarHBondContact O-CG 3.25Å; D659-R663 PolarHBondContact O-N 2.86Å; D659-R663 IonicContact OD1-CZ 3.94Å; D659-R663 IonicContact OD1-NE 3.14Å; D659-R663 IonicContact OD1-NH2 2.65Å; D659-R663 PolarHBondContact OD1-NH2 3.4Å; D659-R663 IonicContact OD2-CZ 3.84Å; D659-R663 VanDerWaalsContact OD2-CZ 3.31Å; D659-R663 IonicContact OD2-NE 2.86Å; D659-R663 PolarHBondContact OD2-NE 3.19Å; D659-R663 IonicContact OD2-NH2 2.95Å; D659-R663 PolarHBondContact OD2-NH2 3.31Å
660	A	47	Very low	40.2	Very low	57 Å²	57	103.5 Å²	103.5	47%	0.471	53%	0.527	S	S	.	.	H	α-helix	trans	-61.7	-42.8	175.8	0	0	0	0	0	112.4	D656 M658 R664	D656-A660 WeakPolarHBondContact O-CB 3.29Å; D656-A660 PolarHBondContact O-N 3.25Å; M658-A660 VanDerWaalsContact C-N 3.34Å; A660-R664 WeakPolarHBondContact O-CB 3.34Å; A660-R664 PolarHBondContact O-N 3.4Å
661	E	43.3	Very low	40.6	Very low	58 Å²	58	102 Å²	102	27%	0.271	52%	0.521	S	S	.	.	H	α-helix	trans	-69.9	-35.7	179.1	-177	60.7	-168.2	0	0	112.4	E657 M658 D659 R664 R665	E657-E661 WeakPolarHBondContact O-CB 3.4Å; E657-E661 PolarHBondContact O-N 3.48Å; M658-E661 PolarHBondContact O-N 2.88Å; D659-E661 PolarHBondContact O-N 3.26Å; E661-R664 PolarHBondContact O-N 3.24Å; E661-R664 IonicContact OE1-CZ 2.73Å; E661-R664 IonicContact OE1-NE 3.44Å; E661-R664 IonicContact OE1-NH2 3.93Å; E661-R664 PolarHBondContact OE1-NH2 2.99Å; E661-R664 IonicContact OE2-CZ 3.05Å; E661-R664 IonicContact OE2-NE 3.92Å; E661-R664 PolarHBondContact OE2-NE 2.91Å; E661-R664 IonicContact OE2-NH2 2.89Å; E661-R664 PolarHBondContact OE2-NH2 3.36Å; E661-R665 WeakPolarHBondContact O-CG 2.87Å; E661-R665 PolarHBondContact O-N 3.36Å; E661-R665 IonicContact OE1-CZ 3.27Å; E661-R665 IonicContact OE1-NE 2.61Å; E661-R665 PolarHBondContact OE1-NE 3.03Å; E661-R665 IonicContact OE1-NH2 3.33Å; E661-R665 PolarHBondContact OE1-NH2 2.9Å
662	V	39.4	Very low	41.3	Very low	47 Å²	47	103.1 Å²	103.1	29%	0.285	52%	0.523	S	S	.	.	H	α-helix	trans	-66	-45	174.8	170.8	0	0	0	0	111	M658 D659 R664 R665 L666	M658-V662 WeakPolarHBondContact O-CG2 3.1Å; M658-V662 PolarHBondContact O-N 2.63Å; D659-V662 PolarHBondContact O-N 3.17Å; V662-R664 VanDerWaalsContact C-N 3.26Å; V662-R664 PolarHBondContact O-N 3.41Å; V662-R665 PolarHBondContact O-N 2.86Å; V662-L666 HydrophobicContact CG1-CD1 3.75Å; V662-L666 PolarHBondContact O-N 3.37Å
663	R	43.9	Very low	42	Very low	121 Å²	121	100.1 Å²	100.1	46%	0.457	52%	0.518	S	S	.	.	H	α-helix	trans	-60.3	-36.3	174.3	-71	175	-167.6	-80.6	-7.8	112.3	D659 R665	D659-R663 VanDerWaalsContact O-CG 3.29Å; D659-R663 WeakPolarHBondContact O-CG 3.25Å; D659-R663 PolarHBondContact O-N 2.86Å; D659-R663 IonicContact OD1-CZ 3.94Å; D659-R663 IonicContact OD1-NE 3.14Å; D659-R663 IonicContact OD1-NH2 2.65Å; D659-R663 PolarHBondContact OD1-NH2 3.4Å; D659-R663 IonicContact OD2-CZ 3.84Å; D659-R663 VanDerWaalsContact OD2-CZ 3.31Å; D659-R663 IonicContact OD2-NE 2.86Å; D659-R663 PolarHBondContact OD2-NE 3.19Å; D659-R663 IonicContact OD2-NH2 2.95Å; D659-R663 PolarHBondContact OD2-NH2 3.31Å; R663-R665 VanDerWaalsContact C-N 3.27Å; R663-R665 PolarHBondContact O-N 3.26Å
664	R	46.3	Very low	42.4	Very low	159 Å²	159	99.3 Å²	99.3	60%	0.6	51%	0.513	S	S	*	.	H	α-helix	trans	-67.4	-27.4	176.3	-162.6	-174.7	71.4	80.8	2.3	112.7	A660 E661 V662	A660-R664 WeakPolarHBondContact O-CB 3.34Å; A660-R664 PolarHBondContact O-N 3.4Å; E661-R664 PolarHBondContact O-N 3.24Å; E661-R664 IonicContact OE1-CZ 2.73Å; E661-R664 IonicContact OE1-NE 3.44Å; E661-R664 IonicContact OE1-NH2 3.93Å; E661-R664 PolarHBondContact OE1-NH2 2.99Å; E661-R664 IonicContact OE2-CZ 3.05Å; E661-R664 IonicContact OE2-NE 3.92Å; E661-R664 PolarHBondContact OE2-NE 2.91Å; E661-R664 IonicContact OE2-NH2 2.89Å; E661-R664 PolarHBondContact OE2-NH2 3.36Å; V662-R664 VanDerWaalsContact C-N 3.26Å; V662-R664 PolarHBondContact O-N 3.41Å
665	R	37.3	Very low	43.4	Very low	178 Å²	178	98.3 Å²	98.3	67%	0.672	50%	0.502	S	S	*	.	H	α-helix	trans	-92.4	-18.7	-175.4	-73.2	-179.4	-174.2	-171.3	3.4	114.6	E661 V662 R663	E661-R665 WeakPolarHBondContact O-CG 2.87Å; E661-R665 PolarHBondContact O-N 3.36Å; E661-R665 IonicContact OE1-CZ 3.27Å; E661-R665 IonicContact OE1-NE 2.61Å; E661-R665 PolarHBondContact OE1-NE 3.03Å; E661-R665 IonicContact OE1-NH2 3.33Å; E661-R665 PolarHBondContact OE1-NH2 2.9Å; V662-R665 PolarHBondContact O-N 2.86Å; R663-R665 VanDerWaalsContact C-N 3.27Å; R663-R665 PolarHBondContact O-N 3.26Å
666	L	36.3	Very low	44.5	Very low	78 Å²	78	97.6 Å²	97.6	41%	0.408	50%	0.504	S	S	.	.			trans	-105.1	44.6	-175.1	-67.9	172.3	0	0	0	113	V662 D668 I679	V662-L666 HydrophobicContact CG1-CD1 3.75Å; V662-L666 PolarHBondContact O-N 3.37Å; L666-D668 PolarHBondContact O-N 3.42Å; L666-I679 HydrophobicContact CD1-CG1 4.48Å
667	T	38.8	Very low	45.1	Very low	103 Å²	103	93.4 Å²	93.4	63%	0.632	48%	0.484	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-8.3	-170	53.8	0	0	0	0	116.6
668	D	36.3	Very low	45.9	Very low	137 Å²	137	87 Å²	87	73%	0.733	45%	0.454	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118.1	34.3	-160.6	-64.8	1.7	0	0	0	114.7	L666	L666-D668 PolarHBondContact O-N 3.42Å
669	L	37	Very low	47	Very low	83 Å²	83	83.1 Å²	83.1	44%	0.435	44%	0.435	S	S	.	.			trans	-113.9	83.4	169.5	-72.2	169.3	0	0	0	110.1	G671 E675 L678	L669-G671 VanDerWaalsContact C-N 3.3Å; L669-G671 PolarHBondContact O-N 2.98Å; L669-E675 HydrophobicContact CB-CB 3.9Å; L669-E675 HydrophobicContact CB-CG 3.94Å; L669-E675 HydrophobicContact CD1-CG 4.3Å; L669-L678 HydrophobicContact CD1-CD1 4.12Å
670	T	40.8	Very low	48	Very low	153 Å²	153	81.3 Å²	81.3	94%	0.939	43%	0.425	S	S	*	.			trans	-63.8	87.4	175.7	43.2	0	0	0	0	111.2
671	G	45.6	Very low	48.9	Very low	28 Å²	28	78.6 Å²	78.6	29%	0.289	40%	0.403	S	S	.	.			trans	164.8	75.8	177.9	0	0	0	0	0	109	L669 S673 I674 E675	L669-G671 VanDerWaalsContact C-N 3.3Å; L669-G671 PolarHBondContact O-N 2.98Å; G671-S673 CarbonylContact O-C 3.58Å; G671-S673 PolarHBondContact O-N 3.18Å; G671-I674 PolarHBondContact O-N 3.21Å; G671-E675 PolarHBondContact O-N 3.45Å; G671-E675 VanDerWaalsContact O-N 3.13Å
672	N	51.1	Low	49.7	Very low	134 Å²	134	77.8 Å²	77.8	72%	0.717	40%	0.398	S	S	*	.	H	α-helix	trans	-45.6	-28.1	-170.3	-66.1	1.7	0	0	0	114.7	Q676	N672-Q676 WeakPolarHBondContact O-CB 3.43Å; N672-Q676 PolarHBondContact O-N 3.02Å
673	S	50.9	Low	50.7	Low	83 Å²	83	76.9 Å²	76.9	58%	0.58	39%	0.392	S	S	*	.	H	α-helix	trans	-77.9	-42.8	175.2	57.2	0	0	0	0	114.2	G671 S677	G671-S673 CarbonylContact O-C 3.58Å; G671-S673 PolarHBondContact O-N 3.18Å; S673-S677 WeakPolarHBondContact O-CB 3.42Å; S673-S677 PolarHBondContact O-N 2.94Å; S673-S677 PolarHBondContact O-OG 2.72Å; S673-S677 VanDerWaalsContact O-OG 3.12Å
674	I	51.7	Low	51.7	Low	69 Å²	69	71.1 Å²	71.1	35%	0.354	37%	0.37	S	S	.	.	H	α-helix	trans	-71.8	-42	-178.8	-63.3	175.5	0	0	0	110.1	G671 Q676 S677 L678	G671-I674 PolarHBondContact O-N 3.21Å; I674-Q676 VanDerWaalsContact C-N 3.34Å; I674-S677 PolarHBondContact O-N 3.12Å; I674-L678 HydrophobicContact CG2-CD1 3.8Å; I674-L678 HydrophobicContact CG2-CG 4.29Å; I674-L678 WeakPolarHBondContact O-CB 3.16Å; I674-L678 VanDerWaalsContact O-CG 3.23Å; I674-L678 WeakPolarHBondContact O-CG 3.28Å; I674-L678 PolarHBondContact O-N 3.01Å
675	E	56.8	Low	52.4	Low	41 Å²	41	63.9 Å²	63.9	19%	0.192	34%	0.344	C	S	.	.	H	α-helix	trans	-58.9	-48.8	174.6	-173.7	-169.5	163.6	0	0	110.5	L669 G671 S677 L678 I679	L669-E675 HydrophobicContact CB-CB 3.9Å; L669-E675 HydrophobicContact CB-CG 3.94Å; L669-E675 HydrophobicContact CD1-CG 4.3Å; G671-E675 PolarHBondContact O-N 3.45Å; G671-E675 VanDerWaalsContact O-N 3.13Å; E675-S677 PolarHBondContact O-N 3.44Å; E675-L678 PolarHBondContact O-N 3.23Å; E675-I679 HydrophobicContact CG-CD1 3.98Å; E675-I679 WeakPolarHBondContact O-CG1 3.02Å; E675-I679 PolarHBondContact O-N 3.45Å
676	Q	61.2	Low	53.4	Low	115 Å²	115	55.9 Å²	55.9	54%	0.537	32%	0.315	S	S	.	.	H	α-helix	trans	-58.9	-51.1	176.4	-171.1	169.5	6.6	0	0	110.6	N672 I674 L678 I679 E680	N672-Q676 WeakPolarHBondContact O-CB 3.43Å; N672-Q676 PolarHBondContact O-N 3.02Å; I674-Q676 VanDerWaalsContact C-N 3.34Å; Q676-L678 VanDerWaalsContact C-N 3.28Å; Q676-L678 PolarHBondContact O-N 3.47Å; Q676-I679 PolarHBondContact O-N 3.18Å; Q676-E680 HydrophobicContact CG-CG 4.23Å; Q676-E680 WeakPolarHBondContact O-CB 3.47Å; Q676-E680 WeakPolarHBondContact O-CG 3.49Å; Q676-E680 PolarHBondContact O-N 3.22Å
677	S	59.1	Low	54.5	Low	20 Å²	20	55.1 Å²	55.1	14%	0.14	31%	0.309	C	S	.	.	H	α-helix	trans	-59.4	-33.6	177.5	-67.9	0	0	0	0	114.1	S673 I674 E675 Y681 P1012	S673-S677 WeakPolarHBondContact O-CB 3.42Å; S673-S677 PolarHBondContact O-N 2.94Å; S673-S677 PolarHBondContact O-OG 2.72Å; S673-S677 VanDerWaalsContact O-OG 3.12Å; I674-S677 PolarHBondContact O-N 3.12Å; E675-S677 PolarHBondContact O-N 3.44Å; S677-Y681 WeakPolarHBondContact O-CB 3.29Å; S677-Y681 PolarHBondContact O-N 2.9Å; S677-P1012 WeakPolarHBondContact CB-O 3.36Å; S677-P1012 PolarHBondContact OG-O 2.78Å
678	L	59.8	Low	55.5	Low	19 Å²	19	52.7 Å²	52.7	10%	0.099	29%	0.289	C	S	.	.	H	α-helix	trans	-71.2	-42.4	176	-75.1	166.3	0	0	0	112.2	L669 I674 E675 Q676 E680 Y681 F682 L1011 L1203	L669-L678 HydrophobicContact CD1-CD1 4.12Å; I674-L678 HydrophobicContact CG2-CD1 3.8Å; I674-L678 HydrophobicContact CG2-CG 4.29Å; I674-L678 WeakPolarHBondContact O-CB 3.16Å; I674-L678 VanDerWaalsContact O-CG 3.23Å; I674-L678 WeakPolarHBondContact O-CG 3.28Å; I674-L678 PolarHBondContact O-N 3.01Å; E675-L678 PolarHBondContact O-N 3.23Å; Q676-L678 VanDerWaalsContact C-N 3.28Å; Q676-L678 PolarHBondContact O-N 3.47Å; L678-E680 VanDerWaalsContact C-N 3.32Å; L678-Y681 WeakPolarHBondContact O-CB 3.33Å; L678-Y681 PolarHBondContact O-N 2.66Å; L678-F682 WeakPolarHBondContact O-CB 3.39Å; L678-F682 PolarHBondContact O-N 3Å; L678-L1011 HydrophobicContact CD2-CD1 4.04Å; L678-L1011 HydrophobicContact CD2-CD2 3.7Å; L678-L1011 HydrophobicContact CG-CD1 4.46Å; L678-L1011 HydrophobicContact CG-CD2 4.46Å; L678-L1203 HydrophobicContact CD1-CD2 3.9Å; L678-L1203 HydrophobicContact CD2-CD2 3.69Å; L678-L1203 HydrophobicContact CD2-CG 4.02Å; L678-L1203 HydrophobicContact CG-CD2 4.46Å
679	I	61.8	Low	56.3	Low	14 Å²	14	47.8 Å²	47.8	7%	0.072	26%	0.262	C	S	.	.	H	α-helix	trans	-62.1	-45.2	173.6	-68.2	168.2	0	0	0	109.5	L666 E675 Q676 Y681 F682 L683	L666-I679 HydrophobicContact CD1-CG1 4.48Å; E675-I679 HydrophobicContact CG-CD1 3.98Å; E675-I679 WeakPolarHBondContact O-CG1 3.02Å; E675-I679 PolarHBondContact O-N 3.45Å; Q676-I679 PolarHBondContact O-N 3.18Å; I679-Y681 VanDerWaalsContact C-N 3.33Å; I679-Y681 PolarHBondContact O-N 3.46Å; I679-F682 PolarHBondContact O-N 3.23Å; I679-L683 HydrophobicContact CG2-CD1 3.76Å; I679-L683 HydrophobicContact CG2-CG 4.43Å; I679-L683 WeakPolarHBondContact O-CB 3.25Å; I679-L683 VanDerWaalsContact O-CG 3.25Å; I679-L683 WeakPolarHBondContact O-CG 3.42Å; I679-L683 PolarHBondContact O-N 3.19Å
680	E	64	Low	57	Low	10 Å²	10	45.5 Å²	45.5	5%	0.047	25%	0.251	C	S	.	.	H	α-helix	trans	-60.1	-40.9	176.5	-66.4	-67.7	145.3	0	0	111.8	Q676 L678 A684 P1012 R1015 R1018	Q676-E680 HydrophobicContact CG-CG 4.23Å; Q676-E680 WeakPolarHBondContact O-CB 3.47Å; Q676-E680 WeakPolarHBondContact O-CG 3.49Å; Q676-E680 PolarHBondContact O-N 3.22Å; L678-E680 VanDerWaalsContact C-N 3.32Å; E680-A684 WeakPolarHBondContact O-CB 3.25Å; E680-A684 PolarHBondContact O-N 2.9Å; E680-P1012 HydrophobicContact CB-CG 3.95Å; E680-R1015 WeakPolarHBondContact OE2-CA 3.48Å; E680-R1015 VanDerWaalsContact OE2-CB 3.27Å; E680-R1015 WeakPolarHBondContact OE2-CB 3.33Å; E680-R1015 PolarHBondContact OE2-N 2.58Å; E680-R1018 IonicContact OE1-CZ 2.73Å; E680-R1018 IonicContact OE1-NH2 3.26Å; E680-R1018 PolarHBondContact OE1-NH2 3.05Å; E680-R1018 IonicContact OE2-CZ 3.65Å; E680-R1018 IonicContact OE2-NE 3.51Å; E680-R1018 PolarHBondContact OE2-NE 3.47Å; E680-R1018 IonicContact OE2-NH2 3.54Å; E680-R1018 PolarHBondContact OE2-NH2 3.44Å
681	Y	65.2	Low	57.5	Low	0 Å²	0	39.8 Å²	39.8	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-65	-48.4	175.1	-176.8	-98.1	0	0	0	113.1	S677 L678 I679 L683 A684 S685 S1009 F1010 L1011 L1198 A1199 T1202	S677-Y681 WeakPolarHBondContact O-CB 3.29Å; S677-Y681 PolarHBondContact O-N 2.9Å; L678-Y681 WeakPolarHBondContact O-CB 3.33Å; L678-Y681 PolarHBondContact O-N 2.66Å; I679-Y681 VanDerWaalsContact C-N 3.33Å; I679-Y681 PolarHBondContact O-N 3.46Å; Y681-L683 VanDerWaalsContact C-N 3.3Å; Y681-L683 PolarHBondContact O-N 3.4Å; Y681-A684 PolarHBondContact O-N 3.26Å; Y681-S685 WeakPolarHBondContact CE1-OG 3.3Å; Y681-S685 PolarHBondContact O-N 2.96Å; Y681-S685 PolarHBondContact O-OG 3.02Å; Y681-S1009 WeakPolarHBondContact OH-CB 3.43Å; Y681-S1009 PolarHBondContact OH-OG 2.94Å; Y681-S1009 VanDerWaalsContact OH-OG 3.04Å; Y681-F1010 WeakPolarHBondContact CD2-O 3.31Å; Y681-F1010 WeakPolarHBondContact CE2-O 3.23Å; Y681-L1011 VanDerWaalsContact CB-CD2 3.43Å; Y681-L1011 HydrophobicContact CD1-CD2 4.14Å; Y681-L1011 HydrophobicContact CD2-CD2 3.86Å; Y681-L1011 HydrophobicContact CG-CD2 3.53Å; Y681-L1198 HydrophobicContact CE1-CB 4.31Å; Y681-L1198 VanDerWaalsContact OH-CD2 3.28Å; Y681-L1198 WeakPolarHBondContact OH-CD2 3.43Å; Y681-L1198 WeakPolarHBondContact OH-CG 3.4Å; Y681-A1199 HydrophobicContact CD1-CB 3.79Å; Y681-A1199 VanDerWaalsContact CE1-CA 3.49Å; Y681-A1199 HydrophobicContact CE1-CB 3.93Å; Y681-T1202 PolarHBondContact OH-OG1 3.48Å
682	F	60.9	Low	57.4	Low	41 Å²	41	41.3 Å²	41.3	18%	0.18	22%	0.215	C	C	.	.	H	α-helix	trans	-58.8	-46.9	179.6	171.2	-100.7	0	0	0	110.2	L678 I679 A684 S685 V686 V1192 L1196	L678-F682 WeakPolarHBondContact O-CB 3.39Å; L678-F682 PolarHBondContact O-N 3Å; I679-F682 PolarHBondContact O-N 3.23Å; F682-A684 PolarHBondContact O-N 3.44Å; F682-S685 PolarHBondContact O-N 2.87Å; F682-V686 HydrophobicContact CD2-CG2 4.48Å; F682-V686 HydrophobicContact CE1-CG2 4.12Å; F682-V686 HydrophobicContact CE2-CG2 4.05Å; F682-V686 HydrophobicContact CZ-CG2 3.86Å; F682-V686 WeakPolarHBondContact O-CG2 3.44Å; F682-V686 PolarHBondContact O-N 3.01Å; F682-V1192 HydrophobicContact CE2-CG1 4.46Å; F682-V1192 HydrophobicContact CZ-CG1 4.01Å; F682-V1192 HydrophobicContact CZ-CG2 4.48Å; F682-L1196 HydrophobicContact CD2-CD1 4.45Å; F682-L1196 HydrophobicContact CE2-CB 4.15Å; F682-L1196 HydrophobicContact CE2-CD1 4.23Å
683	L	60.9	Low	56.8	Low	29 Å²	29	37.2 Å²	37.2	15%	0.152	20%	0.196	C	C	.	.	H	α-helix	trans	-63.9	-39.1	177.7	-68.5	170.2	0	0	0	112.3	I679 Y681 E687 R1018	I679-L683 HydrophobicContact CG2-CD1 3.76Å; I679-L683 HydrophobicContact CG2-CG 4.43Å; I679-L683 WeakPolarHBondContact O-CB 3.25Å; I679-L683 VanDerWaalsContact O-CG 3.25Å; I679-L683 WeakPolarHBondContact O-CG 3.42Å; I679-L683 PolarHBondContact O-N 3.19Å; Y681-L683 VanDerWaalsContact C-N 3.3Å; Y681-L683 PolarHBondContact O-N 3.4Å; L683-E687 VanDerWaalsContact O-CB 3.29Å; L683-E687 WeakPolarHBondContact O-CB 3.36Å; L683-E687 PolarHBondContact O-N 2.72Å; L683-R1018 VanDerWaalsContact CB-NH1 3.32Å
684	A	63	Low	56.1	Low	0 Å²	0	38.4 Å²	38.4	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-65.1	-37.5	174.4	0	0	0	0	0	112.9	E680 Y681 F682 E687 Y688 R1018 H1022 F1042	E680-A684 WeakPolarHBondContact O-CB 3.25Å; E680-A684 PolarHBondContact O-N 2.9Å; Y681-A684 PolarHBondContact O-N 3.26Å; F682-A684 PolarHBondContact O-N 3.44Å; A684-E687 PolarHBondContact O-N 2.92Å; A684-Y688 WeakPolarHBondContact O-CB 3.33Å; A684-Y688 PolarHBondContact O-N 3.32Å; A684-R1018 HydrophobicContact CB-CB 4.16Å; A684-R1018 HydrophobicContact CB-CG 4.04Å; A684-H1022 WeakPolarHBondContact CB-CE1 3.5Å; A684-F1042 WeakPolarHBondContact O-CE2 3.26Å; A684-F1042 WeakPolarHBondContact O-CZ 3.22Å
685	S	61.4	Low	55.4	Low	7 Å²	7	36.8 Å²	36.8	5%	0.049	19%	0.189	C	C	.	.	H	α-helix	trans	-69.1	-42.7	178.1	-56.6	0	0	0	0	111.5	Y681 F682 E687 Y688 D689	Y681-S685 WeakPolarHBondContact CE1-OG 3.3Å; Y681-S685 PolarHBondContact O-N 2.96Å; Y681-S685 PolarHBondContact O-OG 3.02Å; F682-S685 PolarHBondContact O-N 2.87Å; S685-E687 VanDerWaalsContact C-N 3.33Å; S685-E687 PolarHBondContact O-N 2.85Å; S685-Y688 WeakPolarHBondContact O-CB 3.38Å; S685-Y688 PolarHBondContact O-N 3.34Å; S685-D689 PolarHBondContact O-N 2.8Å
686	V	58	Low	54.6	Low	9 Å²	9	38.1 Å²	38.1	6%	0.055	20%	0.2	C	C	.	.	H	α-helix	trans	-61.9	-43	173	173.9	0	0	0	0	110.9	F682 D689 L690 V1192	F682-V686 HydrophobicContact CD2-CG2 4.48Å; F682-V686 HydrophobicContact CE1-CG2 4.12Å; F682-V686 HydrophobicContact CE2-CG2 4.05Å; F682-V686 HydrophobicContact CZ-CG2 3.86Å; F682-V686 WeakPolarHBondContact O-CG2 3.44Å; F682-V686 PolarHBondContact O-N 3.01Å; V686-D689 PolarHBondContact O-N 3.49Å; V686-L690 HydrophobicContact CG1-CD1 3.86Å; V686-L690 HydrophobicContact CG1-CG 4.4Å; V686-L690 WeakPolarHBondContact O-CB 3.48Å; V686-L690 VanDerWaalsContact O-CG 3.25Å; V686-L690 WeakPolarHBondContact O-CG 3.36Å; V686-L690 PolarHBondContact O-N 2.99Å; V686-V1192 HydrophobicContact CG1-CG2 4.4Å; V686-V1192 HydrophobicContact CG2-CG2 4.19Å
687	E	61.4	Low	53	Low	62 Å²	62	38.3 Å²	38.3	29%	0.29	20%	0.204	S	C	.	.	H	α-helix	trans	-63.4	-40.2	177.1	-172.7	172.9	-163.8	0	0	112	L683 A684 S685 L690 T691 F1042 A1043	L683-E687 VanDerWaalsContact O-CB 3.29Å; L683-E687 WeakPolarHBondContact O-CB 3.36Å; L683-E687 PolarHBondContact O-N 2.72Å; A684-E687 PolarHBondContact O-N 2.92Å; S685-E687 VanDerWaalsContact C-N 3.33Å; S685-E687 PolarHBondContact O-N 2.85Å; E687-L690 PolarHBondContact O-N 3.48Å; E687-T691 WeakPolarHBondContact O-CB 3.33Å; E687-T691 PolarHBondContact O-N 3.13Å; E687-T691 PolarHBondContact O-OG1 2.81Å; E687-F1042 HydrophobicContact CB-CE2 4.27Å; E687-F1042 HydrophobicContact CG-CD2 4.46Å; E687-F1042 HydrophobicContact CG-CE2 4.29Å; E687-A1043 HydrophobicContact CG-CB 4.17Å; E687-A1043 WeakPolarHBondContact OE1-CB 3.46Å
688	Y	59	Low	51.4	Low	52 Å²	52	44.1 Å²	44.1	20%	0.204	23%	0.227	C	C	.	.	H	α-helix	trans	-57.2	-54.5	171.6	175.4	-94.4	0	0	0	111.3	A684 S685 L690 T691 E692 Q1040 F1042	A684-Y688 WeakPolarHBondContact O-CB 3.33Å; A684-Y688 PolarHBondContact O-N 3.32Å; S685-Y688 WeakPolarHBondContact O-CB 3.38Å; S685-Y688 PolarHBondContact O-N 3.34Å; Y688-L690 PolarHBondContact O-N 2.97Å; Y688-T691 PolarHBondContact O-N 3.12Å; Y688-T691 VanDerWaalsContact O-N 3.17Å; Y688-T691 PolarHBondContact O-OG1 3.02Å; Y688-E692 VanDerWaalsContact CE1-OE2 3.25Å; Y688-E692 WeakPolarHBondContact CE1-OE2 3.5Å; Y688-E692 WeakPolarHBondContact O-CB 3.34Å; Y688-E692 PolarHBondContact O-N 3.25Å; Y688-E692 PolarHBondContact OH-OE2 3.44Å; Y688-E692 VanDerWaalsContact OH-OE2 3.13Å; Y688-Q1040 VanDerWaalsContact CE2-OE1 3.3Å; Y688-Q1040 PolarHBondContact OH-OE1 2.81Å; Y688-F1042 VanDerWaalsContact CB-CZ 3.5Å; Y688-F1042 AromaticContact CD2-CD1 3.64Å; Y688-F1042 HydrophobicContact CD2-CD1 3.64Å; Y688-F1042 AromaticContact CD2-CE1 3.54Å; Y688-F1042 HydrophobicContact CD2-CE1 3.54Å; Y688-F1042 HydrophobicContact CD2-CG 4.26Å; Y688-F1042 HydrophobicContact CD2-CZ 4.09Å; Y688-F1042 HydrophobicContact CE2-CD1 4.48Å; Y688-F1042 HydrophobicContact CG-CE1 4.15Å; Y688-F1042 HydrophobicContact CG-CZ 4.26Å
689	D	53.6	Low	50	Low	34 Å²	34	49 Å²	49	18%	0.182	26%	0.258	C	S	.	.	H	α-helix	trans	-66.4	-20.7	-176.9	-72.6	-27.1	0	0	0	112.9	S685 V686 P693 S1191 A1194	S685-D689 PolarHBondContact O-N 2.8Å; V686-D689 PolarHBondContact O-N 3.49Å; D689-P693 WeakPolarHBondContact O-CD 3.34Å; D689-P693 WeakPolarHBondContact O-CG 3.44Å; D689-S1191 VanDerWaalsContact CB-CB 3.48Å; D689-S1191 WeakPolarHBondContact CB-OG 3.48Å; D689-S1191 PolarHBondContact O-OG 2.8Å; D689-A1194 WeakPolarHBondContact OD2-CB 3.38Å
690	L	51.6	Low	48.4	Very low	36 Å²	36	56.4 Å²	56.4	19%	0.188	29%	0.292	C	S	.	.	H	α-helix	trans	-87.4	-39.6	172.9	-71.1	173.4	0	0	0	112.1	V686 E687 Y688 P693 L694 V1188	V686-L690 HydrophobicContact CG1-CD1 3.86Å; V686-L690 HydrophobicContact CG1-CG 4.4Å; V686-L690 WeakPolarHBondContact O-CB 3.48Å; V686-L690 VanDerWaalsContact O-CG 3.25Å; V686-L690 WeakPolarHBondContact O-CG 3.36Å; V686-L690 PolarHBondContact O-N 2.99Å; E687-L690 PolarHBondContact O-N 3.48Å; Y688-L690 PolarHBondContact O-N 2.97Å; L690-P693 WeakPolarHBondContact O-CD 3.16Å; L690-L694 WeakPolarHBondContact O-CB 3.4Å; L690-L694 WeakPolarHBondContact O-CD1 3.24Å; L690-L694 WeakPolarHBondContact O-CG 3.45Å; L690-L694 PolarHBondContact O-N 3.42Å; L690-V1188 HydrophobicContact CD2-CG2 3.91Å
691	T	49.9	Very low	46.7	Very low	32 Å²	32	63.1 Å²	63.1	20%	0.196	33%	0.328	C	S	.	.	H	α-helix	trans	-74.5	-32.7	-179.6	41	0	0	0	0	113.1	E687 Y688 L694 T695	E687-T691 WeakPolarHBondContact O-CB 3.33Å; E687-T691 PolarHBondContact O-N 3.13Å; E687-T691 PolarHBondContact O-OG1 2.81Å; Y688-T691 PolarHBondContact O-N 3.12Å; Y688-T691 VanDerWaalsContact O-N 3.17Å; Y688-T691 PolarHBondContact O-OG1 3.02Å; T691-L694 PolarHBondContact O-N 3.43Å; T691-T695 WeakPolarHBondContact O-CB 3.46Å; T691-T695 WeakPolarHBondContact O-CG2 3.46Å; T691-T695 PolarHBondContact O-N 3.49Å; T691-T695 PolarHBondContact O-OG1 2.92Å
692	E	44.7	Very low	44.9	Very low	60 Å²	60	67.7 Å²	67.7	28%	0.28	36%	0.36	S	S	.	.	H	α-helix	trans	-58.6	-54.9	175.8	176	176.7	-163.2	0	0	111.1	Y688 L694 T695 T696	Y688-E692 VanDerWaalsContact CE1-OE2 3.25Å; Y688-E692 WeakPolarHBondContact CE1-OE2 3.5Å; Y688-E692 WeakPolarHBondContact O-CB 3.34Å; Y688-E692 PolarHBondContact O-N 3.25Å; Y688-E692 PolarHBondContact OH-OE2 3.44Å; Y688-E692 VanDerWaalsContact OH-OE2 3.13Å; E692-L694 PolarHBondContact O-N 3.21Å; E692-T695 PolarHBondContact O-N 2.85Å; E692-T695 PolarHBondContact O-OG1 3.35Å; E692-T696 WeakPolarHBondContact O-CG2 3.35Å; E692-T696 PolarHBondContact O-N 3.08Å; E692-T696 PolarHBondContact O-OG1 3.04Å
693	P	38.3	Very low	43.2	Very low	48 Å²	48	74.9 Å²	74.9	31%	0.312	39%	0.391	S	S	.	.	H	α-helix	trans	-59.1	-40.7	173.9	-23.5	31.9	0	0	0	113.8	D689 L690 T695 T696 N697	D689-P693 WeakPolarHBondContact O-CD 3.34Å; D689-P693 WeakPolarHBondContact O-CG 3.44Å; L690-P693 WeakPolarHBondContact O-CD 3.16Å; P693-T695 VanDerWaalsContact C-N 3.27Å; P693-T695 PolarHBondContact O-N 2.78Å; P693-T696 PolarHBondContact O-N 2.66Å; P693-N697 WeakPolarHBondContact O-CA 3.48Å; P693-N697 VanDerWaalsContact O-CB 3.24Å; P693-N697 WeakPolarHBondContact O-CB 3.48Å; P693-N697 PolarHBondContact O-N 2.96Å
694	L	34.9	Very low	41.5	Very low	109 Å²	109	79 Å²	79	57%	0.571	42%	0.422	S	S	*	.	H	α-helix	trans	-70	-24.4	-178	-70.2	171.4	0	0	0	112.9	L690 T691 E692 F698	L690-L694 WeakPolarHBondContact O-CB 3.4Å; L690-L694 WeakPolarHBondContact O-CD1 3.24Å; L690-L694 WeakPolarHBondContact O-CG 3.45Å; L690-L694 PolarHBondContact O-N 3.42Å; T691-L694 PolarHBondContact O-N 3.43Å; E692-L694 PolarHBondContact O-N 3.21Å; L694-F698 WeakPolarHBondContact O-CE2 3.47Å
695	T	38.2	Very low	39.7	Very low	35 Å²	35	84 Å²	84	22%	0.215	46%	0.457	C	S	.	.	H	α-helix	trans	-89.1	-24	174.1	53.4	0	0	0	0	112.9	T691 E692 P693 A966	T691-T695 WeakPolarHBondContact O-CB 3.46Å; T691-T695 WeakPolarHBondContact O-CG2 3.46Å; T691-T695 PolarHBondContact O-N 3.49Å; T691-T695 PolarHBondContact O-OG1 2.92Å; E692-T695 PolarHBondContact O-N 2.85Å; E692-T695 PolarHBondContact O-OG1 3.35Å; P693-T695 VanDerWaalsContact C-N 3.27Å; P693-T695 PolarHBondContact O-N 2.78Å; T695-A966 HydrophobicContact CG2-CB 3.4Å; T695-A966 VanDerWaalsContact CG2-CB 3.4Å
696	T	39.7	Very low	38.1	Very low	69 Å²	69	89.4 Å²	89.4	42%	0.423	50%	0.495	S	S	.	.	H	α-helix	trans	-99	-27.6	-179.1	62.9	0	0	0	0	114.6	E692 P693	E692-T696 WeakPolarHBondContact O-CG2 3.35Å; E692-T696 PolarHBondContact O-N 3.08Å; E692-T696 PolarHBondContact O-OG1 3.04Å; P693-T696 PolarHBondContact O-N 2.66Å
697	N	27.8	Very low	36.5	Very low	119 Å²	119	96.4 Å²	96.4	64%	0.636	53%	0.529	S	S	*	.			trans	-110.9	83.1	-173.1	-69.3	-33.3	0	0	0	112.2	P693	P693-N697 WeakPolarHBondContact O-CA 3.48Å; P693-N697 VanDerWaalsContact O-CB 3.24Å; P693-N697 WeakPolarHBondContact O-CB 3.48Å; P693-N697 PolarHBondContact O-N 2.96Å
698	F	26.3	Very low	34.7	Very low	141 Å²	141	104.1 Å²	104.1	62%	0.618	56%	0.555	S	S	*	*			trans	-99.4	101.3	155.2	-89.3	-84.2	0	0	0	110.9	L694 T1096	L694-F698 WeakPolarHBondContact O-CE2 3.47Å; F698-T1096 HydrophobicContact CE2-CG2 4.45Å
699	T	28.7	Very low	33.2	Very low	121 Å²	121	110.6 Å²	110.6	74%	0.742	58%	0.581	S	S	*	*			trans	77.7	124	141.8	51.4	0	0	0	0	121.8
700	E	29.6	Very low	31.8	Very low	171 Å²	171	115.1 Å²	115.1	80%	0.799	60%	0.604	S	S	*	*			trans	-23.3	140.5	145.1	-56.4	-179.9	137.3	0	0	115.5
701	L	28.6	Very low	30.6	Very low	150 Å²	150	120.7 Å²	120.7	79%	0.785	63%	0.629	S	S	*	*				167.2	106.3	112.3	-101.4	120.9	0	0	0	112.6
702	S	26.4	Very low	29.5	Very low	97 Å²	97	124.2 Å²	124.2	68%	0.678	65%	0.652	S	S	*	*			trans	56.1	129	136.1	76.8	0	0	0	0	122.6
703	K	24.8	Very low	28.7	Very low	192 Å²	192	126 Å²	126	84%	0.835	66%	0.664	S	S	*	*			trans	97	105.2	152.9	-64.2	178.7	-178.8	171.5	0	118.7
704	S	25.6	Very low	28.3	Very low	114 Å²	114	126.8 Å²	126.8	80%	0.797	67%	0.667	S	S	*	*			trans	78.9	133.2	141.9	71	0	0	0	0	119.7
705	S	24.6	Very low	28.3	Very low	106 Å²	106	123.9 Å²	123.9	74%	0.741	66%	0.659	S	S	*	*	S	Bend	trans	74.8	101.5	168.7	59.2	0	0	0	0	118.7
706	S	28.2	Very low	28.2	Very low	120 Å²	120	128 Å²	128	84%	0.839	67%	0.671	S	S	*	*			trans	54.1	81.5	137.3	-53.9	0	0	0	0	117.8
707	M	24.3	Very low	28	Very low	156 Å²	156	127.6 Å²	127.6	77%	0.768	67%	0.666	S	S	*	*			trans	-113.7	113.7	163.7	-81.9	-81	126.3	0	0	109.4
708	R	23.4	Very low	28.6	Very low	225 Å²	225	126.9 Å²	126.9	85%	0.849	66%	0.662	S	S	*	*			trans	-74.6	141	163.6	-72.9	-177.3	-164.3	171.7	5.1	107.6
709	Y	27.6	Very low	29.1	Very low	188 Å²	188	123.2 Å²	123.2	74%	0.737	65%	0.647	S	S	*	*			trans	15.7	119.6	156.1	-61.9	-87.6	0	0	0	116.7
710	L	25.4	Very low	29.2	Very low	129 Å²	129	119.1 Å²	119.1	68%	0.675	62%	0.62	S	S	*	*			trans	-162.5	120.4	142.4	-96.8	136.3	0	0	0	111.2	M1129	L710-M1129 HydrophobicContact CD1-CE 3.69Å; L710-M1129 HydrophobicContact CD1-SD 4.2Å; L710-M1129 HydrophobicContact CD2-SD 4.13Å
711	Q	26	Very low	29.3	Very low	152 Å²	152	115.4 Å²	115.4	71%	0.71	61%	0.611	S	S	*	*			trans	-76.3	165.6	165.9	-82.7	173	-33.2	0	0	110.6
712	P	26.3	Very low	29.5	Very low	106 Å²	106	114.8 Å²	114.8	69%	0.688	61%	0.613	S	S	*	*			trans	-64.6	154.2	-155	-19.8	31.8	0	0	0	117.1
713	L	28.1	Very low	29.7	Very low	99 Å²	99	114.2 Å²	114.2	52%	0.518	61%	0.608	S	S	.	*			trans	-86.5	99.1	-164.2	-70.7	135.3	0	0	0	113.7
714	T	30.6	Very low	29.7	Very low	63 Å²	63	114.9 Å²	114.9	39%	0.387	61%	0.606	S	S	.	*	S	Bend	trans	-120.7	151.9	149.2	42.4	0	0	0	0	108.3	R716	T714-R716 WeakPolarHBondContact O-CG 3.4Å; T714-R716 PolarHBondContact O-N 3.43Å
715	A	33.6	Very low	29.6	Very low	48 Å²	48	118.7 Å²	118.7	40%	0.397	61%	0.609	S	S	.	*			trans	-57.4	94.8	-175.6	0	0	0	0	0	111.1	L717 I1143	A715-L717 PolarHBondContact O-N 3.41Å; A715-I1143 HydrophobicContact CB-CD1 3.85Å
716	R	37	Very low	29.5	Very low	123 Å²	123	120.8 Å²	120.8	46%	0.464	61%	0.612	S	S	.	*			trans	-72.2	81.8	-172.2	-82.3	-163.5	80.1	157.4	9.1	112.2	T714 D718 Q719	T714-R716 WeakPolarHBondContact O-CG 3.4Å; T714-R716 PolarHBondContact O-N 3.43Å; R716-D718 WeakPolarHBondContact CA-OD1 3.18Å; R716-D718 WeakPolarHBondContact CB-OD1 3.31Å; R716-D718 WeakPolarHBondContact CG-OD1 2.81Å; R716-D718 IonicContact CZ-OD1 3.34Å; R716-D718 IonicContact CZ-OD2 3.18Å; R716-D718 VanDerWaalsContact CZ-OD2 3.31Å; R716-D718 IonicContact NE-OD1 2.92Å; R716-D718 PolarHBondContact NE-OD1 2.74Å; R716-D718 VanDerWaalsContact NE-OD1 3.08Å; R716-D718 IonicContact NE-OD2 3.85Å; R716-D718 PolarHBondContact NE-OD2 3.22Å; R716-D718 VanDerWaalsContact NE-OD2 3.16Å; R716-D718 IonicContact NH2-OD2 2.66Å; R716-D718 PolarHBondContact NH2-OD2 3.07Å; R716-D718 PolarHBondContact O-N 2.84Å; R716-Q719 PolarHBondContact O-N 3.27Å
717	L	35.3	Very low	29.2	Very low	59 Å²	59	123.7 Å²	123.7	31%	0.309	61%	0.612	S	S	.	*	G	3₁₀ helix	trans	-65.7	-14.6	173.1	-78.1	158.4	0	0	0	113.1	A715 Q719 L720 I888 L1027 L1138	A715-L717 PolarHBondContact O-N 3.41Å; L717-Q719 PolarHBondContact O-N 3.2Å; L717-L720 HydrophobicContact CD2-CD1 4.08Å; L717-L720 PolarHBondContact O-N 2.85Å; L717-I888 HydrophobicContact CD2-CD1 3.98Å; L717-L1027 HydrophobicContact CD1-CD1 4.21Å; L717-L1138 HydrophobicContact CD2-CD2 4.21Å
718	D	40.4	Very low	29.1	Very low	104 Å²	104	125.3 Å²	125.3	56%	0.556	62%	0.615	S	S	*	*	G	3₁₀ helix	trans	-66.3	-10.9	176.2	64.2	-46.4	0	0	0	113.8	R716 L720	R716-D718 WeakPolarHBondContact CA-OD1 3.18Å; R716-D718 WeakPolarHBondContact CB-OD1 3.31Å; R716-D718 WeakPolarHBondContact CG-OD1 2.81Å; R716-D718 IonicContact CZ-OD1 3.34Å; R716-D718 IonicContact CZ-OD2 3.18Å; R716-D718 VanDerWaalsContact CZ-OD2 3.31Å; R716-D718 IonicContact NE-OD1 2.92Å; R716-D718 PolarHBondContact NE-OD1 2.74Å; R716-D718 VanDerWaalsContact NE-OD1 3.08Å; R716-D718 IonicContact NE-OD2 3.85Å; R716-D718 PolarHBondContact NE-OD2 3.22Å; R716-D718 VanDerWaalsContact NE-OD2 3.16Å; R716-D718 IonicContact NH2-OD2 2.66Å; R716-D718 PolarHBondContact NH2-OD2 3.07Å; R716-D718 PolarHBondContact O-N 2.84Å; D718-L720 VanDerWaalsContact C-N 3.31Å
719	Q	35.9	Very low	29.1	Very low	65 Å²	65	120.4 Å²	120.4	30%	0.304	61%	0.61	S	S	.	*	G	3₁₀ helix	trans	-81.9	-1.9	175.9	-62.6	-167.5	-0.1	0	0	114.6	R716 L717 V1132	R716-Q719 PolarHBondContact O-N 3.27Å; L717-Q719 PolarHBondContact O-N 3.2Å; Q719-V1132 HydrophobicContact CB-CG1 4.37Å
720	L	32.2	Very low	28.8	Very low	35 Å²	35	117.7 Å²	117.7	18%	0.183	61%	0.613	C	S	.	*	S	Bend	trans	-75.1	124.5	174.8	-68.2	172	0	0	0	110.2	L717 D718 V722 W886 V1132	L717-L720 HydrophobicContact CD2-CD1 4.08Å; L717-L720 PolarHBondContact O-N 2.85Å; D718-L720 VanDerWaalsContact C-N 3.31Å; L720-V722 PolarHBondContact O-N 3.28Å; L720-W886 HydrophobicContact CD1-CD2 3.98Å; L720-W886 HydrophobicContact CD1-CG 4.04Å; L720-W886 HydrophobicContact CD2-CB 3.71Å; L720-W886 HydrophobicContact CD2-CG 3.97Å; L720-V1132 HydrophobicContact CD2-CG1 4.32Å
721	P	32	Very low	28.7	Very low	93 Å²	93	117.8 Å²	117.8	60%	0.604	62%	0.619	S	S	*	*			trans	-66	129.5	-172	21	-29.2	0	0	0	113.5
722	V	31.5	Very low	28.5	Very low	137 Å²	137	115.2 Å²	115.2	83%	0.83	62%	0.618	S	S	*	*			trans	-77.4	112.8	176.1	-176.8	0	0	0	0	109.4	L720	L720-V722 PolarHBondContact O-N 3.28Å
723	C	30.9	Very low	28.4	Very low	84 Å²	84	116.1 Å²	116.1	57%	0.568	62%	0.622	S	S	*	*			trans	-133.3	98.1	178.2	-71.1	0	0	0	0	113.3
724	Y	24.8	Very low	28.2	Very low	206 Å²	206	117.4 Å²	117.4	81%	0.808	63%	0.634	S	S	*	*			trans	34.5	108.6	146.9	-67.2	-86.9	0	0	0	120.2
725	F	23.5	Very low	27.8	Very low	194 Å²	194	121.1 Å²	121.1	85%	0.851	66%	0.656	S	S	*	*			trans	-75.6	119.9	146.3	-84.5	-90.9	0	0	0	108.5	E727	F725-E727 PolarHBondContact O-N 2.91Å; F725-E727 VanDerWaalsContact O-N 3.14Å
726	N	22.6	Very low	27.3	Very low	151 Å²	151	124.9 Å²	124.9	81%	0.807	67%	0.674	S	S	*	*			trans	-67.5	105.2	161.6	-88.7	-16	0	0	0	107.8	K728	N726-K728 VanDerWaalsContact C-N 3.35Å; N726-K728 PolarHBondContact O-N 3.06Å
727	E	21.9	Very low	26.6	Very low	180 Å²	180	130 Å²	130	84%	0.841	69%	0.694	S	S	*	*			trans	-60.1	96.8	159.6	-75.8	-178	152.3	0	0	108.3	F725 T729	F725-E727 PolarHBondContact O-N 2.91Å; F725-E727 VanDerWaalsContact O-N 3.14Å; E727-T729 VanDerWaalsContact C-N 3.3Å; E727-T729 PolarHBondContact O-N 2.92Å; E727-T729 VanDerWaalsContact O-N 3.14Å
728	K	22.5	Very low	26.1	Very low	190 Å²	190	135 Å²	135	83%	0.826	72%	0.715	S	S	*	*			trans	-76.2	93.9	156.9	-88.8	-174.3	175.1	-178.8	0	106.9	N726 V730	N726-K728 VanDerWaalsContact C-N 3.35Å; N726-K728 PolarHBondContact O-N 3.06Å; K728-V730 VanDerWaalsContact C-N 3.32Å; K728-V730 PolarHBondContact O-N 3.3Å
729	T	22.5	Very low	25.3	Very low	122 Å²	122	139.3 Å²	139.3	75%	0.748	73%	0.73	S	S	*	*			trans	-59.7	100.5	156.5	1.8	0	0	0	0	106.6	E727 T731	E727-T729 VanDerWaalsContact C-N 3.3Å; E727-T729 PolarHBondContact O-N 2.92Å; E727-T729 VanDerWaalsContact O-N 3.14Å; T729-T731 VanDerWaalsContact C-N 3.33Å; T729-T731 PolarHBondContact O-N 3.37Å
730	V	21.5	Very low	24.7	Very low	131 Å²	131	141.4 Å²	141.4	79%	0.794	75%	0.751	S	S	*	*			trans	-71.6	91.6	174.7	178.8	0	0	0	0	107.2	K728 S732	K728-V730 VanDerWaalsContact C-N 3.32Å; K728-V730 PolarHBondContact O-N 3.3Å; V730-S732 PolarHBondContact O-N 3.27Å
731	T	23.7	Very low	24.3	Very low	132 Å²	132	144.9 Å²	144.9	81%	0.81	77%	0.767	S	S	*	*			trans	-77.3	102.8	158.9	39.5	0	0	0	0	107.5	T729 T733	T729-T731 VanDerWaalsContact C-N 3.33Å; T729-T731 PolarHBondContact O-N 3.37Å; T731-T733 PolarHBondContact O-N 3.24Å
732	S	21.8	Very low	24.1	Very low	97 Å²	97	150.3 Å²	150.3	68%	0.678	78%	0.784	S	S	*	*			trans	-57.3	113.7	169.4	57.1	0	0	0	0	110	V730	V730-S732 PolarHBondContact O-N 3.27Å
733	T	24.1	Very low	24	Very low	126 Å²	126	151 Å²	151	77%	0.773	78%	0.778	S	S	*	*			trans	175.5	110.6	131.9	33	0	0	0	0	110.1	T731	T731-T733 PolarHBondContact O-N 3.24Å
734	T	23.9	Very low	23.7	Very low	125 Å²	125	150.8 Å²	150.8	77%	0.767	78%	0.778	S	S	*	*			trans	58.8	92.7	139.5	-27.3	0	0	0	0	118.7
735	V	22.9	Very low	23.7	Very low	142 Å²	142	149.2 Å²	149.2	86%	0.861	78%	0.783	S	S	*	*				-151.5	103.7	123.5	-179.6	0	0	0	0	107.8
736	T	22	Very low	23.8	Very low	127 Å²	127	146.3 Å²	146.3	78%	0.779	78%	0.777	S	S	*	*			trans	-69.1	149.7	159.4	37.3	0	0	0	0	110.7
737	R	23.3	Very low	23.9	Very low	231 Å²	231	147.5 Å²	147.5	87%	0.872	78%	0.782	S	S	*	*			trans	104.5	131	157.4	-121.3	174.6	-169.5	163.6	1.4	116
738	E	23.7	Very low	23.9	Very low	162 Å²	162	146.6 Å²	146.6	76%	0.757	78%	0.783	S	S	*	*			trans	82.2	113.6	174.2	-51.1	176.4	-173.5	0	0	112.9
739	F	24.8	Very low	24	Very low	196 Å²	196	140 Å²	140	86%	0.86	77%	0.769	S	S	*	*			cis	-149.5	122.9	36.2	-93	-98.9	0	0	0	110.5
740	S	21.8	Very low	24	Very low	109 Å²	109	141.9 Å²	141.9	76%	0.762	78%	0.775	S	S	*	*			trans	-108.2	148.4	157.9	40.1	0	0	0	0	108.6
741	Q	25.3	Very low	24.2	Very low	108 Å²	108	142.1 Å²	142.1	51%	0.505	77%	0.771	S	S	.	*			trans	96	93	168.9	-59.2	179.6	11.4	0	0	118.6	N818	Q741-N818 VanDerWaalsContact OE1-N 3.17Å
742	Q	27.5	Very low	24.5	Very low	206 Å²	206	144.2 Å²	144.2	96%	0.963	77%	0.772	S	S	*	*			trans	-127.7	86.1	140.1	-81.1	-172.6	-17.7	0	0	108.9
743	Q	28.5	Very low	24.9	Very low	151 Å²	151	146.9 Å²	146.9	71%	0.706	78%	0.779	S	S	*	*			trans	-108.6	156.8	149.4	-83.8	-177.6	-7	0	0	104.6
744	S	24.9	Very low	25.4	Very low	81 Å²	81	145.3 Å²	145.3	57%	0.566	77%	0.765	S	S	*	*			cis	-170	145.1	14.8	40.2	0	0	0	0	106.8
745	N	25.5	Very low	26.6	Very low	172 Å²	172	141.9 Å²	141.9	92%	0.92	74%	0.744	S	S	*	*			trans	-146	111.9	151	-100.3	-26.1	0	0	0	110.4
746	N	24.2	Very low	27.7	Very low	134 Å²	134	136.3 Å²	136.3	72%	0.717	71%	0.713	S	S	*	*			trans	-62.7	122.7	177.4	-68.4	-44.9	0	0	0	111.6
747	L	24.5	Very low	29	Very low	175 Å²	175	130.9 Å²	130.9	92%	0.916	68%	0.678	S	S	*	*			trans	-132.6	94.4	146.2	-84.8	168.2	0	0	0	107	G749	L747-G749 VanDerWaalsContact C-N 3.26Å; L747-G749 PolarHBondContact O-N 3.36Å
748	N	23.6	Very low	30.3	Very low	161 Å²	161	120 Å²	120	86%	0.861	64%	0.638	S	S	*	*			trans	-59.6	87.8	167.7	-77.6	-22.7	0	0	0	109.3
749	G	23.4	Very low	31.4	Very low	52 Å²	52	112.3 Å²	112.3	54%	0.536	60%	0.602	S	S	.	*			trans	-114.6	115.5	152.8	0	0	0	0	0	106.1	L747 N751	L747-G749 VanDerWaalsContact C-N 3.26Å; L747-G749 PolarHBondContact O-N 3.36Å; G749-N751 PolarHBondContact O-N 2.88Å
750	N	24	Very low	32.4	Very low	162 Å²	162	107.6 Å²	107.6	87%	0.866	58%	0.578	S	S	*	*			trans	-57.2	85.6	170.9	-71.7	-20.2	0	0	0	108.7	E752	N750-E752 VanDerWaalsContact C-N 3.34Å; N750-E752 PolarHBondContact O-N 3.26Å
751	N	25.2	Very low	33.6	Very low	136 Å²	136	102.9 Å²	102.9	73%	0.727	55%	0.545	S	S	*	.			trans	-74.8	96.6	169	-86.7	-14.9	0	0	0	106.1	G749 N753	G749-N751 PolarHBondContact O-N 2.88Å; N751-N753 PolarHBondContact O-N 3.45Å; N751-N753 VanDerWaalsContact O-N 3.14Å
752	E	28.6	Very low	34.3	Very low	176 Å²	176	101.2 Å²	101.2	82%	0.822	54%	0.543	S	S	*	.			trans	-43.3	120.8	161.9	-65.6	180	164	0	0	108.5	N750 L754	N750-E752 VanDerWaalsContact C-N 3.34Å; N750-E752 PolarHBondContact O-N 3.26Å; E752-L754 PolarHBondContact O-N 2.85Å
753	N	32.1	Very low	34.7	Very low	153 Å²	153	95.6 Å²	95.6	82%	0.818	53%	0.527	S	S	*	.			trans	-44.7	106.1	-170.5	-69.1	-28.7	0	0	0	112.1	N751 T755	N751-N753 PolarHBondContact O-N 3.45Å; N751-N753 VanDerWaalsContact O-N 3.14Å; N753-T755 PolarHBondContact O-N 3.18Å
754	L	34.2	Very low	35.1	Very low	92 Å²	92	88.9 Å²	88.9	48%	0.482	50%	0.496	S	S	.	.			trans	-66.9	101.9	174.1	-79.6	157.6	0	0	0	109.2	E752 A756	E752-L754 PolarHBondContact O-N 2.85Å; L754-A756 VanDerWaalsContact C-N 3.31Å; L754-A756 PolarHBondContact O-N 3.17Å
755	T	47.9	Very low	35.3	Very low	53 Å²	53	89.5 Å²	89.5	33%	0.325	49%	0.492	S	S	.	.			trans	-75.5	79	174.9	56.3	0	0	0	0	110.8	N753 D869	N753-T755 PolarHBondContact O-N 3.18Å; T755-D869 WeakPolarHBondContact CB-O 3.43Å; T755-D869 HydrophobicContact CG2-CB 4.23Å; T755-D869 PolarHBondContact OG1-O 3.35Å
756	A	46.2	Very low	35.4	Very low	26 Å²	26	88.2 Å²	88.2	22%	0.215	47%	0.474	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	128.4	176	0	0	0	0	0	112	L754 S872	L754-A756 VanDerWaalsContact C-N 3.31Å; L754-A756 PolarHBondContact O-N 3.17Å; A756-S872 WeakPolarHBondContact CA-O 3.47Å; A756-S872 WeakPolarHBondContact CB-OG 3.37Å
757	Y	50.3	Low	35.6	Very low	12 Å²	12	87.8 Å²	87.8	5%	0.047	47%	0.472	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	132.4	168.6	-82.5	-52.5	0	0	0	110.6	I842 S844 L847 V865 L870 S872 R874 V884	Y757-I842 HydrophobicContact CD2-CG2 4.04Å; Y757-I842 HydrophobicContact CE2-CG2 4.03Å; Y757-S844 VanDerWaalsContact CZ-OG 3.31Å; Y757-S844 PolarHBondContact OH-OG 3.43Å; Y757-L847 HydrophobicContact CE1-CD2 4.3Å; Y757-V865 WeakPolarHBondContact OH-CB 3.47Å; Y757-V865 WeakPolarHBondContact OH-CG1 3.44Å; Y757-V865 PolarHBondContact OH-O 3.25Å; Y757-L870 HydrophobicContact CD2-CD1 3.32Å; Y757-L870 HydrophobicContact CD2-CD2 3.66Å; Y757-L870 HydrophobicContact CD2-CG 4.15Å; Y757-L870 HydrophobicContact CE2-CD1 3.02Å; Y757-L870 HydrophobicContact CE2-CD2 4.24Å; Y757-L870 HydrophobicContact CE2-CG 4.24Å; Y757-L870 HydrophobicContact CG-CD1 4.35Å; Y757-L870 HydrophobicContact CG-CD2 4.13Å; Y757-S872 PolarHBondContact N-O 3.33Å; Y757-R874 PolarHBondContact O-N 3.03Å; Y757-V884 HydrophobicContact CD1-CG1 4.27Å; Y757-V884 HydrophobicContact CD1-CG2 3.58Å; Y757-V884 HydrophobicContact CE1-CG1 4.31Å; Y757-V884 HydrophobicContact CE1-CG2 4.4Å; Y757-V884 HydrophobicContact CG-CG2 3.98Å
758	V	49.6	Very low	35.8	Very low	3 Å²	3	84.6 Å²	84.6	2%	0.018	46%	0.464	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	113.9	173.2	-173.9	0	0	0	0	109.2	R874 L883 V884	V758-R874 WeakPolarHBondContact CA-O 3.26Å; V758-R874 HydrophobicContact CG2-CB 4.5Å; V758-L883 HydrophobicContact CB-CD2 3.86Å; V758-L883 HydrophobicContact CG1-CD2 3.48Å; V758-L883 VanDerWaalsContact CG1-CD2 3.48Å; V758-L883 WeakPolarHBondContact O-CA 3.16Å; V758-V884 WeakPolarHBondContact O-CG2 3.45Å; V758-V884 PolarHBondContact O-N 3.5Å
759	I	48.1	Very low	36	Very low	0 Å²	0	80.1 Å²	80.1	0%	0	45%	0.449	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	133.1	-178.7	-48.5	175.3	0	0	0	110.4	T761 I873 R874 L875 V884 V887 T1135 L1137	I759-T761 PolarHBondContact O-N 3.05Å; I759-I873 HydrophobicContact CD1-CG2 3.9Å; I759-I873 HydrophobicContact CG1-CG2 4.28Å; I759-R874 PolarHBondContact N-O 3.49Å; I759-L875 HydrophobicContact CB-CD2 3.81Å; I759-L875 HydrophobicContact CG2-CD2 4.43Å; I759-V884 WeakPolarHBondContact CA-O 3.4Å; I759-V884 HydrophobicContact CG1-CG2 4.49Å; I759-V887 HydrophobicContact CD1-CB 3.7Å; I759-V887 HydrophobicContact CD1-CG2 3.51Å; I759-V887 HydrophobicContact CG1-CB 4.39Å; I759-V887 HydrophobicContact CG1-CG2 3.64Å; I759-T1135 WeakPolarHBondContact CG2-O 3.37Å; I759-L1137 HydrophobicContact CD1-CB 4.14Å; I759-L1137 HydrophobicContact CD1-CD1 3.96Å
760	R	45	Very low	36.2	Very low	98 Å²	98	84.4 Å²	84.4	37%	0.37	46%	0.46	S	S	.	.	P	Polyproline II helix	trans	-72.9	121	178.5	-157.1	-178.3	-67.4	-152.6	-0.5	109.8	L883 V884 D885	R760-L883 HydrophobicContact CG-CD1 4.38Å; R760-V884 PolarHBondContact N-O 3.29Å; R760-D885 IonicContact NE-OD1 2.98Å
761	T	47.6	Very low	36.3	Very low	9 Å²	9	85.6 Å²	85.6	6%	0.055	46%	0.46	C	S	.	.	P	Polyproline II helix	trans	-89.9	147	-179.3	60.3	0	0	0	0	111.8	I759 S763 S764 L875 N876	I759-T761 PolarHBondContact O-N 3.05Å; T761-S763 PolarHBondContact O-N 3.47Å; T761-S763 PolarHBondContact OG1-OG 3.25Å; T761-S764 WeakPolarHBondContact O-CB 3.27Å; T761-S764 PolarHBondContact O-N 3.05Å; T761-S764 PolarHBondContact O-OG 3.08Å; T761-L875 HydrophobicContact CG2-CB 4.26Å; T761-L875 HydrophobicContact CG2-CD2 3.82Å; T761-N876 PolarHBondContact OG1-OD1 3.43Å
762	P	39.2	Very low	36.4	Very low	74 Å²	74	83.7 Å²	83.7	48%	0.481	46%	0.457	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-28.7	-179.9	-26.3	33.4	0	0	0	114.4	S764	P762-S764 VanDerWaalsContact C-N 3.31Å; P762-S764 PolarHBondContact O-N 3.34Å
763	S	36.5	Very low	36.4	Very low	87 Å²	87	83 Å²	83	61%	0.608	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.7	-26.1	175.7	39.9	0	0	0	0	113.9	T761 I765 R766	T761-S763 PolarHBondContact O-N 3.47Å; T761-S763 PolarHBondContact OG1-OG 3.25Å; S763-I765 VanDerWaalsContact C-N 3.34Å; S763-R766 PolarHBondContact O-N 3.4Å
764	S	36	Very low	36.1	Very low	10 Å²	10	81.4 Å²	81.4	7%	0.07	46%	0.46	C	S	.	.	G	3₁₀ helix	trans	-73.3	-24.5	179.4	64.6	0	0	0	0	113.6	T761 P762 R766 N767	T761-S764 WeakPolarHBondContact O-CB 3.27Å; T761-S764 PolarHBondContact O-N 3.05Å; T761-S764 PolarHBondContact O-OG 3.08Å; P762-S764 VanDerWaalsContact C-N 3.31Å; P762-S764 PolarHBondContact O-N 3.34Å; S764-R766 PolarHBondContact O-N 3.22Å; S764-R766 VanDerWaalsContact O-N 3.12Å; S764-N767 PolarHBondContact O-N 2.91Å
765	I	29.7	Very low	35.7	Very low	94 Å²	94	82.4 Å²	82.4	48%	0.482	47%	0.474	S	S	.	.	G	3₁₀ helix	trans	-61	-24.6	177.1	-61.4	174.3	0	0	0	111.4	S763	S763-I765 VanDerWaalsContact C-N 3.34Å
766	R	28.5	Very low	34.7	Very low	145 Å²	145	88.6 Å²	88.6	55%	0.547	50%	0.503	S	S	.	.	G	3₁₀ helix	trans	-72.9	-32.8	-179.5	-110.7	-172.2	-162.6	134.2	13.1	115	S763 S764 A769	S763-R766 PolarHBondContact O-N 3.4Å; S764-R766 PolarHBondContact O-N 3.22Å; S764-R766 VanDerWaalsContact O-N 3.12Å; R766-A769 PolarHBondContact O-N 2.88Å
767	N	28.3	Very low	33.8	Very low	126 Å²	126	94.4 Å²	94.4	67%	0.674	53%	0.529	S	S	*	.	G	3₁₀ helix	trans	-79.4	-20.9	-172.7	-75.9	-1.7	0	0	0	112.9	S764 A769	S764-N767 PolarHBondContact O-N 2.91Å; N767-A769 VanDerWaalsContact C-N 3.28Å; N767-A769 PolarHBondContact O-N 3.31Å
768	C	28.2	Very low	32.8	Very low	108 Å²	108	99.9 Å²	99.9	73%	0.73	57%	0.566	S	S	*	*	G	3₁₀ helix	trans	-80.1	-6.1	174.8	-65.6	0	0	0	0	113.8
769	A	28	Very low	32.3	Very low	67 Å²	67	101.7 Å²	101.7	55%	0.554	59%	0.586	S	S	*	*	G	3₁₀ helix	trans	-95.8	-2.6	-175.9	0	0	0	0	0	114.4	R766 N767 E771	R766-A769 PolarHBondContact O-N 2.88Å; N767-A769 VanDerWaalsContact C-N 3.28Å; N767-A769 PolarHBondContact O-N 3.31Å; A769-E771 VanDerWaalsContact C-N 3.31Å; A769-E771 PolarHBondContact O-N 2.72Å
770	N	26.5	Very low	31.4	Very low	142 Å²	142	107.1 Å²	107.1	76%	0.759	62%	0.621	S	S	*	*	S	Bend	trans	-85.6	3.9	-178	-81.8	-4.5	0	0	0	114.7
771	E	26.4	Very low	30.8	Very low	186 Å²	186	109.2 Å²	109.2	87%	0.869	64%	0.638	S	S	*	*	S	Bend	trans	-105.5	71.8	169.4	-71.4	-174.8	177.5	0	0	110.6	A769	A769-E771 VanDerWaalsContact C-N 3.31Å; A769-E771 PolarHBondContact O-N 2.72Å
772	S	28.1	Very low	29.9	Very low	97 Å²	97	113 Å²	113	68%	0.678	66%	0.658	S	S	*	*			trans	178.4	96.8	150.7	32	0	0	0	0	108.3
773	N	27.2	Very low	29.5	Very low	162 Å²	162	117.7 Å²	117.7	87%	0.866	67%	0.668	S	S	*	*			trans	-57.7	140.6	164.1	-82.5	-32.2	0	0	0	109.1
774	S	26.5	Very low	29.2	Very low	118 Å²	118	118.9 Å²	118.9	83%	0.825	67%	0.666	S	S	*	*			trans	76.3	77.9	179.5	80.4	0	0	0	0	117.1
775	C	25.3	Very low	28.8	Very low	114 Å²	114	123.4 Å²	123.4	77%	0.77	68%	0.682	S	S	*	*			trans	-144.3	105.2	145.5	-106.2	0	0	0	0	109.3	I777	C775-I777 PolarHBondContact O-N 3.07Å
776	L	27.6	Very low	28.9	Very low	182 Å²	182	122.6 Å²	122.6	95%	0.953	68%	0.679	S	S	*	*			trans	-69.7	105.2	169.4	-78.5	153.8	0	0	0	108.2	P778	L776-P778 WeakPolarHBondContact O-CD 3.22Å
777	I	28.2	Very low	29.1	Very low	148 Å²	148	118.5 Å²	118.5	76%	0.759	67%	0.672	S	S	*	*			trans	-91	119.3	179.4	-59.1	171	0	0	0	109.6	C775	C775-I777 PolarHBondContact O-N 3.07Å
778	P	28.9	Very low	29.2	Very low	127 Å²	127	117.7 Å²	117.7	83%	0.825	67%	0.667	S	S	*	*			trans	-89.4	123.6	170	32.8	-26.1	0	0	0	110.3	L776	L776-P778 WeakPolarHBondContact O-CD 3.22Å
779	G	38.2	Very low	29.4	Very low	42 Å²	42	114.2 Å²	114.2	43%	0.433	64%	0.642	S	S	.	*	S	Bend	trans	157.9	165.3	169.4	0	0	0	0	0	116	I781 N782	G779-I781 PolarHBondContact O-N 3.14Å; G779-N782 PolarHBondContact O-N 2.97Å
780	P	29.5	Very low	29.6	Very low	114 Å²	114	118.8 Å²	118.8	74%	0.74	65%	0.649	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64	-7.7	-167.6	-18.6	30.9	0	0	0	115.8	N782 Y783 L784	P780-N782 VanDerWaalsContact C-N 3.26Å; P780-N782 PolarHBondContact O-N 3.27Å; P780-Y783 WeakPolarHBondContact O-CB 3.39Å; P780-Y783 PolarHBondContact O-N 2.78Å; P780-Y783 VanDerWaalsContact O-N 3.13Å; P780-L784 PolarHBondContact O-N 3.01Å
781	I	31.4	Very low	30	Very low	141 Å²	141	118.9 Å²	118.9	72%	0.723	65%	0.65	S	S	*	*	H	α-helix	trans	-67.4	-28.5	176.2	-63.1	175.1	0	0	0	111.1	G779 Y783 L784 W785	G779-I781 PolarHBondContact O-N 3.14Å; I781-Y783 VanDerWaalsContact C-N 3.28Å; I781-Y783 PolarHBondContact O-N 2.96Å; I781-L784 PolarHBondContact O-N 3.11Å; I781-W785 PolarHBondContact O-N 3.4Å
782	N	30.1	Very low	30.1	Very low	88 Å²	88	116.7 Å²	116.7	47%	0.471	64%	0.643	S	S	.	*	H	α-helix	trans	-71.2	-23.4	173.5	-159.5	15.7	0	0	0	112.7	G779 P780 N786	G779-N782 PolarHBondContact O-N 2.97Å; P780-N782 VanDerWaalsContact C-N 3.26Å; P780-N782 PolarHBondContact O-N 3.27Å; N782-N786 WeakPolarHBondContact O-CB 3.35Å; N782-N786 PolarHBondContact O-N 3.49Å; N782-N786 PolarHBondContact O-ND2 3.48Å
783	Y	30.8	Very low	30	Very low	174 Å²	174	118.3 Å²	118.3	68%	0.682	64%	0.643	S	S	*	*	H	α-helix	trans	-69.3	-41.7	172.8	-172.9	-99	0	0	0	111	P780 I781 N786 C787	P780-Y783 WeakPolarHBondContact O-CB 3.39Å; P780-Y783 PolarHBondContact O-N 2.78Å; P780-Y783 VanDerWaalsContact O-N 3.13Å; I781-Y783 VanDerWaalsContact C-N 3.28Å; I781-Y783 PolarHBondContact O-N 2.96Å; Y783-N786 PolarHBondContact O-N 3.42Å; Y783-C787 WeakPolarHBondContact O-CB 3.25Å; Y783-C787 PolarHBondContact O-N 2.88Å; Y783-C787 PolarHBondContact O-SG 3.3Å; Y783-C787 VanDerWaalsContact O-SG 3.36Å
784	L	29.1	Very low	30.1	Very low	111 Å²	111	118 Å²	118	58%	0.581	64%	0.641	S	S	*	*	H	α-helix	trans	-67.2	-36.3	173.8	-94	154.6	0	0	0	112.7	P780 I781 C787 L788	P780-L784 PolarHBondContact O-N 3.01Å; I781-L784 PolarHBondContact O-N 3.11Å; L784-C787 PolarHBondContact O-N 3.14Å; L784-L788 WeakPolarHBondContact O-CB 3.39Å; L784-L788 WeakPolarHBondContact O-CG 3.34Å; L784-L788 PolarHBondContact O-N 3.34Å
785	W	27.6	Very low	30.1	Very low	106 Å²	106	120.9 Å²	120.9	40%	0.402	64%	0.641	S	S	.	*	H	α-helix	trans	-64.4	-46	172.8	-176.4	-113.8	0	0	0	112	I781 C787 L788 T789	I781-W785 PolarHBondContact O-N 3.4Å; W785-C787 VanDerWaalsContact C-N 3.32Å; W785-C787 PolarHBondContact O-N 3.01Å; W785-L788 PolarHBondContact O-N 2.95Å; W785-T789 HydrophobicContact CD2-CG2 3.97Å; W785-T789 HydrophobicContact CE3-CG2 4.05Å; W785-T789 HydrophobicContact CH2-CG2 3.97Å; W785-T789 HydrophobicContact CZ2-CG2 3.85Å; W785-T789 HydrophobicContact CZ3-CG2 3.96Å; W785-T789 PolarHBondContact O-N 2.83Å; W785-T789 PolarHBondContact O-OG1 2.83Å
786	N	32.4	Very low	30.2	Very low	77 Å²	77	121 Å²	121	41%	0.412	64%	0.643	S	S	.	*	H	α-helix	trans	-65.4	-33.8	176.5	-79.6	-33.5	0	0	0	112.7	N782 Y783 K790	N782-N786 WeakPolarHBondContact O-CB 3.35Å; N782-N786 PolarHBondContact O-N 3.49Å; N782-N786 PolarHBondContact O-ND2 3.48Å; Y783-N786 PolarHBondContact O-N 3.42Å; N786-K790 VanDerWaalsContact O-CB 3.26Å; N786-K790 WeakPolarHBondContact O-CB 3.47Å; N786-K790 WeakPolarHBondContact O-CG 3.49Å; N786-K790 PolarHBondContact O-N 3.34Å
787	C	33.6	Very low	30	Very low	59 Å²	59	119.3 Å²	119.3	40%	0.399	63%	0.634	S	S	.	*	H	α-helix	trans	-70.9	-32.8	174.7	-75.5	0	0	0	0	112.9	Y783 L784 W785	Y783-C787 WeakPolarHBondContact O-CB 3.25Å; Y783-C787 PolarHBondContact O-N 2.88Å; Y783-C787 PolarHBondContact O-SG 3.3Å; Y783-C787 VanDerWaalsContact O-SG 3.36Å; L784-C787 PolarHBondContact O-N 3.14Å; W785-C787 VanDerWaalsContact C-N 3.32Å; W785-C787 PolarHBondContact O-N 3.01Å
788	L	29.8	Very low	29.9	Very low	109 Å²	109	118.8 Å²	118.8	57%	0.571	64%	0.638	S	S	*	*	H	α-helix	trans	-86.3	-34.2	-179.9	-75.1	166.9	0	0	0	113.3	L784 W785	L784-L788 WeakPolarHBondContact O-CB 3.39Å; L784-L788 WeakPolarHBondContact O-CG 3.34Å; L784-L788 PolarHBondContact O-N 3.34Å; W785-L788 PolarHBondContact O-N 2.95Å
789	T	31.7	Very low	29.7	Very low	34 Å²	34	117.9 Å²	117.9	21%	0.209	63%	0.633	C	S	.	*	H	α-helix	trans	-79.8	-27.7	177.7	42.6	0	0	0	0	113.3	W785 N791 I792 I793	W785-T789 HydrophobicContact CD2-CG2 3.97Å; W785-T789 HydrophobicContact CE3-CG2 4.05Å; W785-T789 HydrophobicContact CH2-CG2 3.97Å; W785-T789 HydrophobicContact CZ2-CG2 3.85Å; W785-T789 HydrophobicContact CZ3-CG2 3.96Å; W785-T789 PolarHBondContact O-N 2.83Å; W785-T789 PolarHBondContact O-OG1 2.83Å; T789-N791 PolarHBondContact O-N 3.08Å; T789-I792 PolarHBondContact O-N 2.84Å; T789-I793 PolarHBondContact O-N 3.44Å
790	K	33.2	Very low	29.3	Very low	163 Å²	163	123.6 Å²	123.6	71%	0.709	65%	0.653	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.7	-22.4	175.2	-89.7	-175.4	172.3	179.8	0	114.4	N786	N786-K790 VanDerWaalsContact O-CB 3.26Å; N786-K790 WeakPolarHBondContact O-CB 3.47Å; N786-K790 WeakPolarHBondContact O-CG 3.49Å; N786-K790 PolarHBondContact O-N 3.34Å
791	N	33.6	Very low	29.4	Very low	144 Å²	144	125.4 Å²	125.4	77%	0.77	66%	0.657	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96	-2.3	-179.3	-79	-13.6	0	0	0	114.6	T789	T789-N791 PolarHBondContact O-N 3.08Å
792	I	30.1	Very low	29.3	Very low	140 Å²	140	125.4 Å²	125.4	72%	0.718	66%	0.658	S	S	*	*	T	Hydrogen-bonded Turn	trans	-116.6	-16.6	-178.6	-59.7	179.7	0	0	0	112.9	T789 N794	T789-I792 PolarHBondContact O-N 2.84Å; I792-N794 VanDerWaalsContact C-N 3.33Å; I792-N794 PolarHBondContact O-N 3.04Å
793	I	26.3	Very low	29.4	Very low	132 Å²	132	124 Å²	124	68%	0.677	66%	0.664	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.2	27.3	-177.9	-52.5	174.4	0	0	0	112.8	T789	T789-I793 PolarHBondContact O-N 3.44Å
794	N	27.9	Very low	29.3	Very low	154 Å²	154	122.4 Å²	122.4	82%	0.824	67%	0.667	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.9	14.4	173.5	-97.5	5.5	0	0	0	114.6	I792	I792-N794 VanDerWaalsContact C-N 3.33Å; I792-N794 PolarHBondContact O-N 3.04Å
795	E	27.8	Very low	29.2	Very low	180 Å²	180	121.1 Å²	121.1	84%	0.841	67%	0.667	S	S	*	*	S	Bend	trans	-110.3	110.7	164.9	-73.6	-172.3	170.1	0	0	110.7	I797	E795-I797 PolarHBondContact O-N 3.17Å
796	S	25.7	Very low	29.2	Very low	115 Å²	115	123.9 Å²	123.9	80%	0.804	69%	0.685	S	S	*	*			trans	-55.5	114.1	178.3	50.2	0	0	0	0	113
797	I	24.9	Very low	28.8	Very low	148 Å²	148	126.6 Å²	126.6	76%	0.759	70%	0.699	S	S	*	*			trans	-131.7	106.1	155.5	-58	179.3	0	0	0	107.6	E795 C799	E795-I797 PolarHBondContact O-N 3.17Å; I797-C799 PolarHBondContact O-N 3.44Å
798	T	25	Very low	28.5	Very low	137 Å²	137	130 Å²	130	84%	0.84	71%	0.712	S	S	*	*			trans	-70.5	114.3	169.6	47.4	0	0	0	0	108.9
799	C	25.8	Very low	28.3	Very low	108 Å²	108	129.5 Å²	129.5	73%	0.73	72%	0.717	S	S	*	*			trans	-121	118.5	165.7	-71.5	0	0	0	0	108.8	I797	I797-C799 PolarHBondContact O-N 3.44Å
800	D	29	Very low	28	Very low	161 Å²	161	134.6 Å²	134.6	86%	0.861	74%	0.742	S	S	*	*			trans	-65.6	139.7	-176.1	-83.1	-38	0	0	0	113.4	N802	D800-N802 VanDerWaalsContact C-N 3.26Å; D800-N802 PolarHBondContact O-N 2.86Å
801	N	31	Very low	27.6	Very low	153 Å²	153	134.1 Å²	134.1	82%	0.818	75%	0.745	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.1	24.7	-169.1	-91.7	-26.8	0	0	0	116.7
802	N	30.4	Very low	27	Very low	140 Å²	140	134.7 Å²	134.7	75%	0.749	75%	0.747	S	S	*	*	T	Hydrogen-bonded Turn	trans	-111.1	2	-179.1	-82	-8	0	0	0	115.7	D800	D800-N802 VanDerWaalsContact C-N 3.26Å; D800-N802 PolarHBondContact O-N 2.86Å
803	G	31.5	Very low	26.7	Very low	58 Å²	58	136.3 Å²	136.3	60%	0.598	75%	0.752	S	S	*	*	S	Bend	trans	-84.3	-25.2	177.1	0	0	0	0	0	115.2
804	L	28	Very low	26.5	Very low	141 Å²	141	135.8 Å²	135.8	74%	0.738	75%	0.75	S	S	*	*	S	Bend	trans	-85	-21.8	-170.6	-142.5	85.3	0	0	0	113.5
805	S	28.9	Very low	26.3	Very low	84 Å²	84	138.2 Å²	138.2	59%	0.587	75%	0.749	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.6	-22.2	-177	-38.7	0	0	0	0	113.4
806	Q	27	Very low	26	Very low	165 Å²	165	135.2 Å²	135.2	77%	0.771	74%	0.739	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.9	-13.7	-178.9	-85.7	-173.1	-15.4	0	0	114.4
807	L	24.6	Very low	25.9	Very low	134 Å²	134	136.5 Å²	136.5	70%	0.702	73%	0.731	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.2	-15.7	180	-121.1	145.3	0	0	0	113.4
808	I	27.4	Very low	25.8	Very low	130 Å²	130	134.1 Å²	134.1	67%	0.667	72%	0.719	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.9	-10.3	-178.6	-66.9	176.5	0	0	0	112.8
809	S	25.5	Very low	25.7	Very low	98 Å²	98	131.1 Å²	131.1	69%	0.685	70%	0.701	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.5	6.1	-175.2	-69	0	0	0	0	116.9
810	I	25.1	Very low	25.6	Very low	142 Å²	142	132.8 Å²	132.8	73%	0.728	70%	0.702	S	S	*	*	S	Bend	trans	-126	4.7	-173.8	-60.5	-177.8	0	0	0	114.9
811	I	24.4	Very low	25.2	Very low	153 Å²	153	130.9 Å²	130.9	79%	0.785	70%	0.697	S	S	*	*			trans	-127.8	40.9	176.7	-41.8	-179.2	0	0	0	111.5
812	L	21.1	Very low	24.8	Very low	155 Å²	155	129.2 Å²	129.2	81%	0.812	70%	0.697	S	S	*	*			trans	-102.8	111.4	148.2	-77.4	166.2	0	0	0	105.7
813	E	22.5	Very low	24.3	Very low	175 Å²	175	127.8 Å²	127.8	82%	0.818	70%	0.698	S	S	*	*			trans	159.7	125.1	147	-91.3	173.9	-173.6	0	0	109.9
814	N	22.5	Very low	23.8	Very low	120 Å²	120	130 Å²	130	64%	0.642	70%	0.704	S	S	*	*			trans	116.1	101.1	142.6	-65.9	-23.1	0	0	0	120.8
815	Y	24.6	Very low	23.5	Very low	205 Å²	205	128.8 Å²	128.8	80%	0.804	71%	0.708	S	S	*	*			trans	65.7	157.2	132.3	-69.2	-85.7	0	0	0	120.3
816	D	22.1	Very low	23.2	Very low	117 Å²	117	133 Å²	133	63%	0.626	72%	0.723	S	S	*	*			cis	179.6	150.6	-31.5	-136.7	-8.8	0	0	0	108.1
817	F	22.7	Very low	22.9	Very low	142 Å²	142	130.8 Å²	130.8	62%	0.623	73%	0.726	S	S	*	*			trans	78.6	125.4	151.9	-82.6	-69.5	0	0	0	128.1
818	N	23.2	Very low	22.7	Very low	98 Å²	98	129.8 Å²	129.8	52%	0.524	73%	0.73	S	S	.	*			trans	68.3	117.2	132.9	-84.7	-13.1	0	0	0	122.7	Q741	Q741-N818 VanDerWaalsContact OE1-N 3.17Å
819	V	22.5	Very low	22.5	Very low	74 Å²	74	129.3 Å²	129.3	45%	0.448	74%	0.738	S	S	.	*				76.6	107.3	75.2	176.4	0	0	0	0	115.4
820	N	23.4	Very low	22.3	Very low	143 Å²	143	131.4 Å²	131.4	77%	0.765	74%	0.741	S	S	*	*				177.2	152.5	118.8	-97.6	-32	0	0	0	115.5
821	T	21.8	Very low	22.1	Very low	122 Å²	122	131.4 Å²	131.4	75%	0.748	74%	0.743	S	S	*	*			trans	-65.4	150.9	-178.2	48.7	0	0	0	0	117.5
822	S	21.7	Very low	22.1	Very low	117 Å²	117	131.7 Å²	131.7	82%	0.818	75%	0.746	S	S	*	*				176.8	138.6	127.4	52.2	0	0	0	0	115.5
823	S	20.6	Very low	22.1	Very low	110 Å²	110	132.8 Å²	132.8	77%	0.769	75%	0.751	S	S	*	*			trans	-45.7	155.9	167.5	52.8	0	0	0	0	120.4
824	S	21.3	Very low	22.1	Very low	105 Å²	105	132 Å²	132	73%	0.734	75%	0.75	S	S	*	*			trans	160.6	110.8	134.7	55	0	0	0	0	111.1
825	S	20.1	Very low	22.1	Very low	115 Å²	115	132.7 Å²	132.7	80%	0.804	75%	0.754	S	S	*	*				84.9	130.2	83.3	73.2	0	0	0	0	116.4
826	L	22.2	Very low	22.1	Very low	174 Å²	174	127.8 Å²	127.8	91%	0.911	76%	0.756	S	S	*	*			trans	-53.6	155	-179.5	-70.1	75.8	0	0	0	116.1
827	S	20.9	Very low	22.3	Very low	118 Å²	118	128.4 Å²	128.4	83%	0.825	76%	0.76	S	S	*	*			trans	-159.3	129.9	140.7	59.7	0	0	0	0	112.9
828	S	21.8	Very low	22.8	Very low	113 Å²	113	125.2 Å²	125.2	79%	0.79	76%	0.755	S	S	*	*			trans	-68.2	151.3	170.6	49.6	0	0	0	0	113.7
829	S	22.4	Very low	23.5	Very low	119 Å²	119	123.2 Å²	123.2	83%	0.832	75%	0.749	S	S	*	*			trans	-148.7	126.7	157.5	59.5	0	0	0	0	111.2
830	D	21	Very low	24.4	Very low	142 Å²	142	121.3 Å²	121.3	76%	0.759	74%	0.735	S	S	*	*			trans	-73.7	163.2	-176.6	-66	-51.8	0	0	0	115
831	D	22.3	Very low	25.3	Very low	143 Å²	143	118.4 Å²	118.4	77%	0.765	72%	0.717	S	S	*	*			trans	55.1	102.9	146.9	-65.4	-21.7	0	0	0	119.6
832	N	23.3	Very low	26.4	Very low	159 Å²	159	112.8 Å²	112.8	85%	0.85	68%	0.682	S	S	*	*			trans	-148	131.2	138.9	-86.5	-51.7	0	0	0	111.4	I834	N832-I834 PolarHBondContact O-N 2.61Å
833	I	20.5	Very low	27.2	Very low	177 Å²	177	110.6 Å²	110.6	91%	0.908	66%	0.664	S	S	*	*			trans	-59.7	110.1	178.7	-64.8	160.3	0	0	0	109.2
834	I	23	Very low	28.2	Very low	158 Å²	158	106.3 Å²	106.3	81%	0.81	63%	0.634	S	S	*	*			trans	-90.9	109.2	178.9	-64.3	173.4	0	0	0	109.5	N832	N832-I834 PolarHBondContact O-N 2.61Å
835	D	22.3	Very low	29.1	Very low	136 Å²	136	102.4 Å²	102.4	73%	0.727	61%	0.605	S	S	*	*			trans	-51.4	140.6	164	-126.2	-20.4	0	0	0	110.6	N837	D835-N837 PolarHBondContact O-N 3.46Å
836	A	24.6	Very low	29.6	Very low	102 Å²	102	101.6 Å²	101.6	84%	0.843	60%	0.598	S	S	*	*			trans	-69.8	47.7	-170.9	0	0	0	0	0	115.2	S838	A836-S838 PolarHBondContact O-N 2.9Å
837	N	27	Very low	30.4	Very low	130 Å²	130	95.7 Å²	95.7	70%	0.695	57%	0.567	S	S	*	*			trans	-71.3	110.9	163.1	-81.2	-33.2	0	0	0	108.1	D835 S839	D835-N837 PolarHBondContact O-N 3.46Å; N837-S839 PolarHBondContact O-N 2.91Å
838	S	33.1	Very low	31.2	Very low	75 Å²	75	96.1 Å²	96.1	52%	0.524	55%	0.554	S	S	.	*			trans	-45.9	102	175.2	48.5	0	0	0	0	111.3	A836	A836-S838 PolarHBondContact O-N 2.9Å
839	S	37.3	Very low	31.6	Very low	56 Å²	56	98.3 Å²	98.3	39%	0.392	55%	0.551	S	S	.	*			trans	-59.3	137.7	-178	35.9	0	0	0	0	110.4	N837 H841	N837-S839 PolarHBondContact O-N 2.91Å; S839-H841 PolarHBondContact O-CD2 3.1Å; S839-H841 VanDerWaalsContact O-CD2 3.3Å; S839-H841 PolarHBondContact O-N 3.46Å; S839-H841 VanDerWaalsContact O-N 3.08Å; S839-H841 PolarHBondContact OG-CE1 3.31Å; S839-H841 PolarHBondContact OG-NE2 2.79Å
840	M	41.4	Very low	31.9	Very low	34 Å²	34	98 Å²	98	17%	0.167	55%	0.548	C	S	.	.			trans	-77.9	94.5	-175.7	-154	167.5	77.3	0	0	109.1	I842 L870 T891 L923	M840-I842 HydrophobicContact CE-CD1 4.42Å; M840-I842 PolarHBondContact O-N 3.16Å; M840-L870 WeakPolarHBondContact CE-O 3.36Å; M840-T891 HydrophobicContact CG-CG2 3.63Å; M840-T891 WeakPolarHBondContact CG-OG1 3.38Å; M840-T891 HydrophobicContact SD-CG2 3.96Å; M840-L923 HydrophobicContact CE-CB 3.7Å; M840-L923 HydrophobicContact CE-CD1 3.76Å; M840-L923 HydrophobicContact CE-CD2 4.46Å; M840-L923 HydrophobicContact CE-CG 4.15Å; M840-L923 HydrophobicContact SD-CB 3.73Å
841	H	43.3	Very low	32.2	Very low	82 Å²	82	98.6 Å²	98.6	38%	0.38	55%	0.551	S	S	.	*			trans	-84.7	119.9	-175.2	-62.7	-57.6	0	0	0	112.4	S839 T890	S839-H841 PolarHBondContact O-CD2 3.1Å; S839-H841 VanDerWaalsContact O-CD2 3.3Å; S839-H841 PolarHBondContact O-N 3.46Å; S839-H841 VanDerWaalsContact O-N 3.08Å; S839-H841 PolarHBondContact OG-CE1 3.31Å; S839-H841 PolarHBondContact OG-NE2 2.79Å; H841-T890 PolarHBondContact O-N 3.26Å; H841-T890 PolarHBondContact O-OG1 3.49Å; H841-T890 VanDerWaalsContact O-OG1 3.04Å
842	I	43.5	Very low	32.4	Very low	3 Å²	3	97.6 Å²	97.6	2%	0.015	55%	0.554	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-120.7	126.9	172.9	-60.7	171.5	0	0	0	107.4	Y757 M840 L870 I873 V887 L923	Y757-I842 HydrophobicContact CD2-CG2 4.04Å; Y757-I842 HydrophobicContact CE2-CG2 4.03Å; M840-I842 HydrophobicContact CE-CD1 4.42Å; M840-I842 PolarHBondContact O-N 3.16Å; I842-L870 HydrophobicContact CD1-CB 3.75Å; I842-L870 HydrophobicContact CD1-CD1 4.32Å; I842-I873 HydrophobicContact CD1-CD1 4.31Å; I842-I873 HydrophobicContact CG2-CD1 4.47Å; I842-V887 HydrophobicContact CG2-CG1 3.39Å; I842-L923 HydrophobicContact CD1-CD1 3.78Å; I842-L923 HydrophobicContact CD1-CD2 3.91Å; I842-L923 HydrophobicContact CG1-CD2 4.35Å
843	V	39.7	Very low	32.6	Very low	72 Å²	72	95.2 Å²	95.2	44%	0.436	55%	0.55	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	130.8	179.1	-177.4	0	0	0	0	109.3	W886 V887 I888	V843-W886 HydrophobicContact CG1-CH2 4.4Å; V843-W886 HydrophobicContact CG1-CZ3 4.36Å; V843-V887 CarbonylContact O-C 3.51Å; V843-V887 WeakPolarHBondContact O-CA 3.46Å; V843-I888 HydrophobicContact CB-CB 4.5Å; V843-I888 PolarHBondContact N-O 3.44Å; V843-I888 PolarHBondContact O-N 2.93Å
844	S	41.2	Very low	32.8	Very low	20 Å²	20	93.9 Å²	93.9	14%	0.14	55%	0.545	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	168.4	178.6	66.6	0	0	0	0	111.6	Y757 W886	Y757-S844 VanDerWaalsContact CZ-OG 3.31Å; Y757-S844 PolarHBondContact OH-OG 3.43Å; S844-W886 WeakPolarHBondContact CA-O 3.35Å
845	T	40.2	Very low	33.1	Very low	22 Å²	22	94.7 Å²	94.7	14%	0.135	55%	0.551	C	S	.	*	P	Polyproline II helix	trans	-64.4	152.7	168.9	52.3	0	0	0	0	111.1	L847 V884 D885 W886	T845-L847 PolarHBondContact O-N 2.98Å; T845-V884 VanDerWaalsContact O-CG1 3.23Å; T845-V884 WeakPolarHBondContact O-CG1 3.42Å; T845-D885 HydrophobicContact CG2-CB 4.18Å; T845-D885 PolarHBondContact OG1-N 3.34Å; T845-D885 VanDerWaalsContact OG1-N 3.15Å; T845-W886 HydrophobicContact CG2-CD2 4.1Å; T845-W886 HydrophobicContact CG2-CG 4.14Å; T845-W886 HydrophobicContact CG2-CZ2 4.02Å
846	P	31	Very low	33.4	Very low	99 Å²	99	92.2 Å²	92.2	64%	0.643	54%	0.544	S	S	*	.	P	Polyproline II helix	trans	-53	134.9	172.1	-21.8	31.2	0	0	0	111	K848	P846-K848 PolarHBondContact O-N 2.97Å; P846-K848 VanDerWaalsContact O-N 3.16Å
847	L	39	Very low	33.4	Very low	50 Å²	50	95.4 Å²	95.4	26%	0.262	55%	0.547	S	S	.	.	P	Polyproline II helix	trans	-61.5	117.3	175.3	-65.8	161.4	0	0	0	108	Y757 T845 Q849 V865 E882 V884	Y757-L847 HydrophobicContact CE1-CD2 4.3Å; T845-L847 PolarHBondContact O-N 2.98Å; L847-Q849 VanDerWaalsContact C-N 3.34Å; L847-Q849 PolarHBondContact O-N 3.2Å; L847-V865 HydrophobicContact CD1-CG2 4.25Å; L847-E882 WeakPolarHBondContact CB-OE2 3.3Å; L847-E882 WeakPolarHBondContact CD1-OE2 3.39Å; L847-E882 HydrophobicContact CD2-CB 3.74Å; L847-V884 HydrophobicContact CD2-CG1 4.02Å
848	K	37.5	Very low	33.3	Very low	127 Å²	127	95.7 Å²	95.7	55%	0.552	55%	0.548	S	S	*	.			trans	-70.7	96.7	170.1	-83	-178.3	177.5	170	0	106.8	P846 C850	P846-K848 PolarHBondContact O-N 2.97Å; P846-K848 VanDerWaalsContact O-N 3.16Å; K848-C850 PolarHBondContact O-N 3.27Å
849	Q	30.7	Very low	32.9	Very low	158 Å²	158	99.5 Å²	99.5	74%	0.738	56%	0.563	S	S	*	*			trans	-53.9	113.5	163.5	-79.7	-178.4	-12.9	0	0	107.1	L847 N851	L847-Q849 VanDerWaalsContact C-N 3.34Å; L847-Q849 PolarHBondContact O-N 3.2Å; Q849-N851 PolarHBondContact O-N 3.18Å
850	C	27.6	Very low	32.2	Very low	114 Å²	114	107.5 Å²	107.5	77%	0.77	59%	0.586	S	S	*	*			trans	-62.8	110.3	169.4	-84.1	0	0	0	0	106.6	K848 C852	K848-C850 PolarHBondContact O-N 3.27Å; C850-C852 PolarHBondContact O-N 2.77Å
851	N	27.6	Very low	31.5	Very low	154 Å²	154	111.1 Å²	111.1	82%	0.824	61%	0.61	S	S	*	*			trans	-32.8	95.5	177.7	-69.9	-19.6	0	0	0	112.9	Q849	Q849-N851 PolarHBondContact O-N 3.18Å
852	C	25.8	Very low	30.8	Very low	121 Å²	121	116.1 Å²	116.1	82%	0.818	63%	0.631	S	S	*	*			trans	-90.4	114.3	150.7	-74.5	0	0	0	0	105.2	C850 D854	C850-C852 PolarHBondContact O-N 2.77Å; C852-D854 PolarHBondContact O-N 2.83Å
853	S	27.8	Very low	29.9	Very low	110 Å²	110	123.6 Å²	123.6	77%	0.769	67%	0.666	S	S	*	*			trans	-62.1	97.8	-175.2	49.7	0	0	0	0	111.5
854	D	25.8	Very low	29.4	Very low	149 Å²	149	126.1 Å²	126.1	80%	0.797	67%	0.671	S	S	*	*			trans	-117.6	103.3	159.1	-82.3	-32.7	0	0	0	109	C852 S856	C852-D854 PolarHBondContact O-N 2.83Å; D854-S856 VanDerWaalsContact C-N 3.29Å; D854-S856 PolarHBondContact O-N 2.8Å
855	N	28.9	Very low	29.1	Very low	175 Å²	175	128.4 Å²	128.4	94%	0.936	68%	0.684	S	S	*	*			trans	-67.7	88.1	168.6	-82.8	-22.1	0	0	0	108.8
856	S	27.4	Very low	28.6	Very low	84 Å²	84	131.3 Å²	131.3	59%	0.587	70%	0.698	S	S	*	*			trans	-147.1	122.9	153.2	60.2	0	0	0	0	108.9	D854 N858	D854-S856 VanDerWaalsContact C-N 3.29Å; D854-S856 PolarHBondContact O-N 2.8Å; S856-N858 PolarHBondContact O-N 3Å
857	N	25.7	Very low	29	Very low	169 Å²	169	127.8 Å²	127.8	90%	0.904	68%	0.676	S	S	*	*			trans	-47.5	92.3	176.1	-73	-23.7	0	0	0	111.5
858	N	24.6	Very low	29	Very low	135 Å²	135	129.9 Å²	129.9	72%	0.722	69%	0.687	S	S	*	*			trans	-121.7	116.7	163.3	-84.1	-18.6	0	0	0	107.6	S856 Y860	S856-N858 PolarHBondContact O-N 3Å; N858-Y860 PolarHBondContact O-N 3.3Å
859	N	24.1	Very low	29.4	Very low	156 Å²	156	129.6 Å²	129.6	83%	0.834	69%	0.692	S	S	*	*			trans	-49.2	122.8	173.4	-72.3	-32.1	0	0	0	109.5	T861	N859-T861 VanDerWaalsContact C-N 3.35Å; N859-T861 PolarHBondContact O-N 2.84Å
860	Y	24.3	Very low	30.6	Very low	223 Å²	223	122.3 Å²	122.3	88%	0.875	66%	0.658	S	S	*	*			trans	-58.6	90.2	175.4	-72.7	-86.9	0	0	0	110.8	N858 K862	N858-Y860 PolarHBondContact O-N 3.3Å; Y860-K862 PolarHBondContact O-N 3.12Å
861	T	24.8	Very low	32.2	Very low	111 Å²	111	121.8 Å²	121.8	68%	0.681	64%	0.642	S	S	*	*			trans	-75.6	105.5	164.5	40.5	0	0	0	0	107.6	N859 E863	N859-T861 VanDerWaalsContact C-N 3.35Å; N859-T861 PolarHBondContact O-N 2.84Å; T861-E863 PolarHBondContact O-N 3.01Å
862	K	28.8	Very low	34.2	Very low	187 Å²	187	115.1 Å²	115.1	81%	0.813	61%	0.607	S	S	*	*			trans	-67	76.9	173.4	-71.2	177	179.3	172.9	0	109.2	Y860	Y860-K862 PolarHBondContact O-N 3.12Å
863	E	26	Very low	36.3	Very low	159 Å²	159	109.4 Å²	109.4	74%	0.743	57%	0.569	S	S	*	*			trans	-76.4	134.2	177.2	-79.8	-175.1	170.4	0	0	111.6	T861	T861-E863 PolarHBondContact O-N 3.01Å
864	K	29.5	Very low	38.4	Very low	125 Å²	125	106 Å²	106	54%	0.543	54%	0.539	S	S	.	.			trans	-69	121.1	176.6	-173.3	-174.3	-174	178.7	0	108.7	I866	K864-I866 VanDerWaalsContact C-N 3.34Å; K864-I866 HydrophobicContact CD-CD1 3.61Å; K864-I866 HydrophobicContact CD-CG1 3.5Å; K864-I866 VanDerWaalsContact CD-CG1 3.5Å; K864-I866 HydrophobicContact CG-CD1 4.3Å; K864-I866 HydrophobicContact CG-CG1 3.6Å; K864-I866 PolarHBondContact O-N 3.4Å; K864-I866 VanDerWaalsContact O-N 3.16Å
865	V	33.8	Very low	40.2	Very low	69 Å²	69	100 Å²	100	42%	0.418	51%	0.507	S	S	.	.			trans	-87.9	77.3	169.3	-168.9	0	0	0	0	108.8	Y757 L847 S867	Y757-V865 WeakPolarHBondContact OH-CB 3.47Å; Y757-V865 WeakPolarHBondContact OH-CG1 3.44Å; Y757-V865 PolarHBondContact OH-O 3.25Å; L847-V865 HydrophobicContact CD1-CG2 4.25Å; V865-S867 PolarHBondContact O-N 3.24Å
866	I	30.9	Very low	41.6	Very low	82 Å²	82	94.9 Å²	94.9	42%	0.421	48%	0.479	S	S	.	.			trans	-77.9	109.3	157.7	-42.5	-178.6	0	0	0	105.2	K864	K864-I866 VanDerWaalsContact C-N 3.34Å; K864-I866 HydrophobicContact CD-CD1 3.61Å; K864-I866 HydrophobicContact CD-CG1 3.5Å; K864-I866 VanDerWaalsContact CD-CG1 3.5Å; K864-I866 HydrophobicContact CG-CD1 4.3Å; K864-I866 HydrophobicContact CG-CG1 3.6Å; K864-I866 PolarHBondContact O-N 3.4Å; K864-I866 VanDerWaalsContact O-N 3.16Å
867	S	38.6	Very low	42.3	Very low	26 Å²	26	96.8 Å²	96.8	18%	0.182	48%	0.475	C	S	.	.			trans	-108.7	103.4	171.7	147	0	0	0	0	107.8	V865 D869 L870	V865-S867 PolarHBondContact O-N 3.24Å; S867-D869 PolarHBondContact O-N 2.91Å; S867-L870 VanDerWaalsContact CB-CD1 3.5Å; S867-L870 WeakPolarHBondContact OG-CD1 3.18Å; S867-L870 VanDerWaalsContact OG-CG 3.27Å; S867-L870 WeakPolarHBondContact OG-CG 3.27Å; S867-L870 PolarHBondContact OG-N 3.33Å
868	D	38.9	Very low	42.9	Very low	94 Å²	94	90.7 Å²	90.7	50%	0.503	44%	0.444	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-17.1	170.7	-68.3	-31.8	0	0	0	111.8	L870	D868-L870 PolarHBondContact O-N 2.78Å
869	D	46.9	Very low	43.5	Very low	121 Å²	121	92.3 Å²	92.3	65%	0.647	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.3	7.6	-177.7	-71.2	-30.1	0	0	0	115	T755 S867 K871	T755-D869 WeakPolarHBondContact CB-O 3.43Å; T755-D869 HydrophobicContact CG2-CB 4.23Å; T755-D869 PolarHBondContact OG1-O 3.35Å; S867-D869 PolarHBondContact O-N 2.91Å; D869-K871 PolarHBondContact O-N 3.33Å; D869-K871 VanDerWaalsContact O-N 3.14Å
870	L	54.8	Low	44.3	Very low	5 Å²	5	88.8 Å²	88.8	3%	0.026	45%	0.453	C	S	.	.			trans	-75.4	106.2	-176.8	-103.3	148	0	0	0	111.6	Y757 M840 I842 S867 D868 S872	Y757-L870 HydrophobicContact CD2-CD1 3.32Å; Y757-L870 HydrophobicContact CD2-CD2 3.66Å; Y757-L870 HydrophobicContact CD2-CG 4.15Å; Y757-L870 HydrophobicContact CE2-CD1 3.02Å; Y757-L870 HydrophobicContact CE2-CD2 4.24Å; Y757-L870 HydrophobicContact CE2-CG 4.24Å; Y757-L870 HydrophobicContact CG-CD1 4.35Å; Y757-L870 HydrophobicContact CG-CD2 4.13Å; M840-L870 WeakPolarHBondContact CE-O 3.36Å; I842-L870 HydrophobicContact CD1-CB 3.75Å; I842-L870 HydrophobicContact CD1-CD1 4.32Å; S867-L870 VanDerWaalsContact CB-CD1 3.5Å; S867-L870 WeakPolarHBondContact OG-CD1 3.18Å; S867-L870 VanDerWaalsContact OG-CG 3.27Å; S867-L870 WeakPolarHBondContact OG-CG 3.27Å; S867-L870 PolarHBondContact OG-N 3.33Å; D868-L870 PolarHBondContact O-N 2.78Å; L870-S872 WeakPolarHBondContact CD2-O 3.41Å
871	K	62.1	Low	45	Very low	103 Å²	103	81.1 Å²	81.1	45%	0.448	43%	0.429	S	S	.	.			trans	-88.3	-19.3	178.3	-63	-174.5	-176.6	-179.6	0	113	D869 S918 S924	D869-K871 PolarHBondContact O-N 3.33Å; D869-K871 VanDerWaalsContact O-N 3.14Å; K871-S918 PolarHBondContact NZ-O 3.01Å; K871-S924 PolarHBondContact O-N 3.32Å
872	S	68.7	Low	46	Very low	13 Å²	13	80.3 Å²	80.3	9%	0.091	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	153.6	-178	68.6	0	0	0	0	117.3	A756 Y757 L870 S924	A756-S872 WeakPolarHBondContact CA-O 3.47Å; A756-S872 WeakPolarHBondContact CB-OG 3.37Å; Y757-S872 PolarHBondContact N-O 3.33Å; L870-S872 WeakPolarHBondContact CD2-O 3.41Å; S872-S924 CarbonylContact C-O 2.92Å; S872-S924 WeakPolarHBondContact CA-O 3.19Å; S872-S924 WeakPolarHBondContact CB-O 3.39Å
873	I	70.5	Confident	47.1	Very low	2 Å²	2	73.7 Å²	73.7	1%	0.01	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	135.4	172.1	-61.9	169	0	0	0	109	I759 I842 V887 V889 L923 S924 I925 Y926 L1137	I759-I873 HydrophobicContact CD1-CG2 3.9Å; I759-I873 HydrophobicContact CG1-CG2 4.28Å; I842-I873 HydrophobicContact CD1-CD1 4.31Å; I842-I873 HydrophobicContact CG2-CD1 4.47Å; I873-V887 HydrophobicContact CD1-CG1 3.95Å; I873-V889 HydrophobicContact CD1-CG2 3.56Å; I873-L923 HydrophobicContact CD1-CD1 4.39Å; I873-L923 HydrophobicContact CD1-CD2 4.14Å; I873-L923 HydrophobicContact CG1-CD1 4.31Å; I873-S924 PolarHBondContact N-O 3.13Å; I873-I925 HydrophobicContact CB-CG1 4.45Å; I873-I925 HydrophobicContact CB-CG2 4.37Å; I873-I925 HydrophobicContact CD1-CG1 4.44Å; I873-Y926 PolarHBondContact O-N 2.95Å; I873-L1137 HydrophobicContact CD1-CD1 4.08Å; I873-L1137 HydrophobicContact CG2-CD1 4.31Å
874	R	70.8	Confident	48.3	Very low	39 Å²	39	66.1 Å²	66.1	15%	0.147	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	153.4	-177	-57.7	-178.2	-175	179.1	1.4	112.2	Y757 V758 I759 Y926	Y757-R874 PolarHBondContact O-N 3.03Å; V758-R874 WeakPolarHBondContact CA-O 3.26Å; V758-R874 HydrophobicContact CG2-CB 4.5Å; I759-R874 PolarHBondContact N-O 3.49Å; R874-Y926 HydrophobicContact CG-CD2 3.96Å; R874-Y926 HydrophobicContact CG-CG 4.39Å
875	L	65.1	Low	49.2	Very low	23 Å²	23	63.6 Å²	63.6	12%	0.12	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	121.8	171.5	-68.6	162.4	0	0	0	109.1	I759 T761 L927 P928 L931 T1135	I759-L875 HydrophobicContact CB-CD2 3.81Å; I759-L875 HydrophobicContact CG2-CD2 4.43Å; T761-L875 HydrophobicContact CG2-CB 4.26Å; T761-L875 HydrophobicContact CG2-CD2 3.82Å; L875-L927 HydrophobicContact CD1-CD2 3.48Å; L875-L927 VanDerWaalsContact CD1-CD2 3.48Å; L875-P928 HydrophobicContact CB-CG 4.39Å; L875-P928 VanDerWaalsContact CD1-CD 3.43Å; L875-P928 HydrophobicContact CD1-CG 4.27Å; L875-L931 HydrophobicContact CD1-CD1 4.38Å; L875-T1135 HydrophobicContact CD1-CG2 3.5Å; L875-T1135 HydrophobicContact CD2-CG2 4.27Å
876	N	57	Low	50.2	Low	66 Å²	66	63.5 Å²	63.5	35%	0.353	34%	0.34	S	S	.	.	S	Bend	trans	86.4	157	175.7	-68.8	-27.5	0	0	0	120.9	T761	T761-N876 PolarHBondContact OG1-OD1 3.43Å
877	Y	43.3	Very low	51.3	Low	124 Å²	124	59.6 Å²	59.6	49%	0.486	32%	0.32	S	S	.	.			trans	-28.4	106	-176.9	-66.5	-94.1	0	0	0	118
878	T	37	Very low	51.7	Low	42 Å²	42	59.8 Å²	59.8	26%	0.258	32%	0.319	S	S	.	.			trans	-111.6	130	141.4	41.4	0	0	0	0	107.9	G880 T881	T878-G880 PolarHBondContact O-N 3.37Å; T878-T881 PolarHBondContact O-N 3.15Å; T878-T881 PolarHBondContact O-OG1 3.23Å; T878-T881 PolarHBondContact OG1-OG1 3.12Å; T878-T881 VanDerWaalsContact OG1-OG1 3.11Å
879	N	38.1	Very low	52.5	Low	169 Å²	169	55.3 Å²	55.3	90%	0.904	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.8	112.3	179.3	-76.6	-10.5	0	0	0	109.6
880	G	40.2	Very low	52.5	Low	82 Å²	82	51.2 Å²	51.2	85%	0.845	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	108.2	3.6	169.2	0	0	0	0	0	117.7	T878	T878-G880 PolarHBondContact O-N 3.37Å
881	T	40.1	Very low	52.6	Low	61 Å²	61	51.1 Å²	51.1	37%	0.374	27%	0.274	S	S	.	.	P	Polyproline II helix	trans	-103.8	132.6	174.6	49.4	0	0	0	0	112.4	T878	T878-T881 PolarHBondContact O-N 3.15Å; T878-T881 PolarHBondContact O-OG1 3.23Å; T878-T881 PolarHBondContact OG1-OG1 3.12Å; T878-T881 VanDerWaalsContact OG1-OG1 3.11Å
882	E	45.9	Very low	52.2	Low	94 Å²	94	48.5 Å²	48.5	44%	0.439	27%	0.268	S	S	.	.	P	Polyproline II helix	trans	-62.5	136.2	-177.6	-63.6	-174.9	160.3	0	0	112.3	L847	L847-E882 WeakPolarHBondContact CB-OE2 3.3Å; L847-E882 WeakPolarHBondContact CD1-OE2 3.39Å; L847-E882 HydrophobicContact CD2-CB 3.74Å
883	L	51.2	Low	51.9	Low	49 Å²	49	48.8 Å²	48.8	26%	0.257	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	134.6	-171.2	-66.8	168.7	0	0	0	111.7	V758 R760	V758-L883 HydrophobicContact CB-CD2 3.86Å; V758-L883 HydrophobicContact CG1-CD2 3.48Å; V758-L883 VanDerWaalsContact CG1-CD2 3.48Å; V758-L883 WeakPolarHBondContact O-CA 3.16Å; R760-L883 HydrophobicContact CG-CD1 4.38Å
884	V	51.6	Low	51.6	Low	0 Å²	0	52.9 Å²	52.9	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	147.5	171.9	-96.2	0	0	0	0	111.2	Y757 V758 I759 R760 T845 L847 V887	Y757-V884 HydrophobicContact CD1-CG1 4.27Å; Y757-V884 HydrophobicContact CD1-CG2 3.58Å; Y757-V884 HydrophobicContact CE1-CG1 4.31Å; Y757-V884 HydrophobicContact CE1-CG2 4.4Å; Y757-V884 HydrophobicContact CG-CG2 3.98Å; V758-V884 WeakPolarHBondContact O-CG2 3.45Å; V758-V884 PolarHBondContact O-N 3.5Å; I759-V884 WeakPolarHBondContact CA-O 3.4Å; I759-V884 HydrophobicContact CG1-CG2 4.49Å; R760-V884 PolarHBondContact N-O 3.29Å; T845-V884 VanDerWaalsContact O-CG1 3.23Å; T845-V884 WeakPolarHBondContact O-CG1 3.42Å; L847-V884 HydrophobicContact CD2-CG1 4.02Å; V884-V887 HydrophobicContact CG2-CG2 4.13Å
885	D	47.8	Very low	51.3	Low	71 Å²	71	54.7 Å²	54.7	38%	0.38	30%	0.297	S	S	.	.	S	Bend	trans	-82.3	-32.9	-175.8	-69	-33.2	0	0	0	112.1	R760 T845	R760-D885 IonicContact NE-OD1 2.98Å; T845-D885 HydrophobicContact CG2-CB 4.18Å; T845-D885 PolarHBondContact OG1-N 3.34Å; T845-D885 VanDerWaalsContact OG1-N 3.15Å
886	W	55	Low	51.9	Low	68 Å²	68	53.6 Å²	53.6	26%	0.258	29%	0.291	S	S	.	.			trans	-155.1	161.7	174.5	57	-98.8	0	0	0	111.4	L720 V843 S844 T845 I888 G1136	L720-W886 HydrophobicContact CD1-CD2 3.98Å; L720-W886 HydrophobicContact CD1-CG 4.04Å; L720-W886 HydrophobicContact CD2-CB 3.71Å; L720-W886 HydrophobicContact CD2-CG 3.97Å; V843-W886 HydrophobicContact CG1-CH2 4.4Å; V843-W886 HydrophobicContact CG1-CZ3 4.36Å; S844-W886 WeakPolarHBondContact CA-O 3.35Å; T845-W886 HydrophobicContact CG2-CD2 4.1Å; T845-W886 HydrophobicContact CG2-CG 4.14Å; T845-W886 HydrophobicContact CG2-CZ2 4.02Å; W886-I888 HydrophobicContact CE3-CD1 4.09Å; W886-I888 HydrophobicContact CE3-CG1 3.78Å; W886-I888 HydrophobicContact CH2-CD1 4.04Å; W886-I888 HydrophobicContact CZ3-CB 4.37Å; W886-I888 HydrophobicContact CZ3-CD1 3.42Å; W886-I888 VanDerWaalsContact CZ3-CD1 3.42Å; W886-I888 HydrophobicContact CZ3-CG1 3.52Å; W886-G1136 VanDerWaalsContact CA-O 3.31Å; W886-G1136 WeakPolarHBondContact CA-O 3.37Å; W886-G1136 WeakPolarHBondContact CB-O 3.39Å
887	V	54	Low	53	Low	0 Å²	0	51 Å²	51	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	133.8	178.5	178.2	0	0	0	0	110.5	I759 I842 V843 I873 V884 V889 G1136 L1137 L1138	I759-V887 HydrophobicContact CD1-CB 3.7Å; I759-V887 HydrophobicContact CD1-CG2 3.51Å; I759-V887 HydrophobicContact CG1-CB 4.39Å; I759-V887 HydrophobicContact CG1-CG2 3.64Å; I842-V887 HydrophobicContact CG2-CG1 3.39Å; V843-V887 CarbonylContact O-C 3.51Å; V843-V887 WeakPolarHBondContact O-CA 3.46Å; I873-V887 HydrophobicContact CD1-CG1 3.95Å; V884-V887 HydrophobicContact CG2-CG2 4.13Å; V887-V889 HydrophobicContact CG1-CG2 4.13Å; V887-G1136 PolarHBondContact N-O 2.91Å; V887-L1137 HydrophobicContact CB-CD1 3.79Å; V887-L1137 HydrophobicContact CG1-CD1 3.92Å; V887-L1137 WeakPolarHBondContact O-CA 3.5Å; V887-L1138 PolarHBondContact O-N 3.01Å
888	I	47.2	Very low	55	Low	29 Å²	29	45.5 Å²	45.5	15%	0.149	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	125.5	171.5	-59.6	170.2	0	0	0	108.8	L717 V843 W886 T890 L1138 V1140	L717-I888 HydrophobicContact CD2-CD1 3.98Å; V843-I888 HydrophobicContact CB-CB 4.5Å; V843-I888 PolarHBondContact N-O 3.44Å; V843-I888 PolarHBondContact O-N 2.93Å; W886-I888 HydrophobicContact CE3-CD1 4.09Å; W886-I888 HydrophobicContact CE3-CG1 3.78Å; W886-I888 HydrophobicContact CH2-CD1 4.04Å; W886-I888 HydrophobicContact CZ3-CB 4.37Å; W886-I888 HydrophobicContact CZ3-CD1 3.42Å; W886-I888 VanDerWaalsContact CZ3-CD1 3.42Å; W886-I888 HydrophobicContact CZ3-CG1 3.52Å; I888-T890 HydrophobicContact CG2-CG2 4.26Å; I888-L1138 CarbonylContact C-O 3.5Å; I888-L1138 WeakPolarHBondContact CA-O 3.11Å; I888-L1138 HydrophobicContact CD1-CD2 4.41Å; I888-L1138 HydrophobicContact CG1-CB 4.17Å; I888-L1138 HydrophobicContact CG1-CD2 4.12Å; I888-L1138 HydrophobicContact CG2-CD2 4.25Å; I888-V1140 HydrophobicContact CG2-CG2 4Å
889	V	55.6	Low	57	Low	0 Å²	0	44.3 Å²	44.3	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	118.8	179.7	179.9	0	0	0	0	109.1	I873 V887 I896 L923 L1137 L1138 I1139 V1140	I873-V889 HydrophobicContact CD1-CG2 3.56Å; V887-V889 HydrophobicContact CG1-CG2 4.13Å; V889-I896 HydrophobicContact CG1-CD1 3.95Å; V889-L923 HydrophobicContact CG1-CD2 3.57Å; V889-L923 HydrophobicContact CG2-CD2 4.28Å; V889-L1137 HydrophobicContact CG2-CD1 3.74Å; V889-L1138 PolarHBondContact N-O 3.49Å; V889-I1139 HydrophobicContact CB-CG1 4.21Å; V889-I1139 WeakPolarHBondContact O-CA 3.24Å; V889-V1140 PolarHBondContact O-N 3.12Å; V889-V1140 VanDerWaalsContact O-N 3.1Å
890	T	47.5	Very low	59.1	Low	36 Å²	36	37.1 Å²	37.1	22%	0.221	21%	0.207	C	C	.	.			trans	-107.3	2.8	-179.7	60.9	0	0	0	0	112.9	H841 I888 Y1090 V1140	H841-T890 PolarHBondContact O-N 3.26Å; H841-T890 PolarHBondContact O-OG1 3.49Å; H841-T890 VanDerWaalsContact O-OG1 3.04Å; I888-T890 HydrophobicContact CG2-CG2 4.26Å; T890-Y1090 HydrophobicContact CG2-CD2 4.47Å; T890-Y1090 HydrophobicContact CG2-CE2 3.68Å; T890-V1140 HydrophobicContact CG2-CG2 4.08Å
891	T	55.5	Low	60.5	Low	3 Å²	3	35.8 Å²	35.8	2%	0.018	18%	0.183	C	C	.	.	S	Bend	trans	-60.4	139.9	179	-46.5	0	0	0	0	111.6	M840 R895 I896	M840-T891 HydrophobicContact CG-CG2 3.63Å; M840-T891 WeakPolarHBondContact CG-OG1 3.38Å; M840-T891 HydrophobicContact SD-CG2 3.96Å; T891-R895 HydrophobicContact CG2-CB 3.73Å; T891-I896 HydrophobicContact CG2-CG1 4.41Å
892	P	53.8	Low	61.6	Low	48 Å²	48	35.6 Å²	35.6	31%	0.312	18%	0.182	S	C	.	.			trans	-49.4	139.8	171.8	-28.8	36.1	0	0	0	112.7	D894 R895 N1141	P892-D894 WeakPolarHBondContact CB-OD1 3.5Å; P892-D894 PolarHBondContact O-N 3.25Å; P892-R895 PolarHBondContact O-N 3.1Å; P892-N1141 WeakPolarHBondContact CA-ND2 3.36Å
893	I	62.9	Low	62.1	Low	19 Å²	19	40.9 Å²	40.9	10%	0.097	20%	0.204	C	C	.	.	G	3₁₀ helix	trans	-63.8	-28.7	-170.4	-161.8	171.2	0	0	0	112.4	R895 I896 I1106 N1141 L1142	I893-R895 PolarHBondContact O-N 3.48Å; I893-I896 PolarHBondContact O-N 3.37Å; I893-I1106 HydrophobicContact CD1-CB 4.32Å; I893-I1106 HydrophobicContact CD1-CD1 4.4Å; I893-I1106 HydrophobicContact CG1-CB 4.33Å; I893-I1106 HydrophobicContact CG1-CD1 4.07Å; I893-I1106 HydrophobicContact CG1-CG1 4.11Å; I893-N1141 HydrophobicContact CB-CB 4.37Å; I893-L1142 HydrophobicContact CD1-CD2 3.51Å; I893-L1142 HydrophobicContact CG1-CD2 4.49Å
894	D	63.3	Low	61.9	Low	87 Å²	87	43.9 Å²	43.9	47%	0.465	23%	0.229	S	C	.	.	G	3₁₀ helix	trans	-68.9	-21.5	176.4	59.6	-51.6	0	0	0	113.2	P892 R897 W1120	P892-D894 WeakPolarHBondContact CB-OD1 3.5Å; P892-D894 PolarHBondContact O-N 3.25Å; D894-R897 PolarHBondContact O-NH1 3Å; D894-W1120 HydrophobicContact CB-CH2 4.26Å
895	R	66.2	Low	61.4	Low	77 Å²	77	47.6 Å²	47.6	29%	0.291	25%	0.248	S	C	.	.	G	3₁₀ helix	trans	-93.7	-1.5	175.3	-69.3	-170.5	-177.6	179.2	1.2	114.2	T891 P892 I893 Y922 L923	T891-R895 HydrophobicContact CG2-CB 3.73Å; P892-R895 PolarHBondContact O-N 3.1Å; I893-R895 PolarHBondContact O-N 3.48Å; R895-Y922 HydrophobicContact CB-CD1 4.45Å; R895-Y922 WeakPolarHBondContact O-CA 3.47Å; R895-L923 PolarHBondContact O-N 2.99Å
896	I	77.2	Confident	61.3	Low	0 Å²	0	48.7 Å²	48.7	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	137.1	178.2	-60.7	174.2	0	0	0	109.2	V889 T891 I893 L898 I925 I1106 I1139	V889-I896 HydrophobicContact CG1-CD1 3.95Å; T891-I896 HydrophobicContact CG2-CG1 4.41Å; I893-I896 PolarHBondContact O-N 3.37Å; I896-L898 HydrophobicContact CG2-CD2 4.03Å; I896-I925 HydrophobicContact CG2-CD1 3.68Å; I896-I925 HydrophobicContact CG2-CG1 4.19Å; I896-I1106 HydrophobicContact CG2-CD1 4.33Å; I896-I1139 HydrophobicContact CD1-CG2 3.64Å
897	R	80.5	Confident	60.7	Low	13 Å²	13	48.2 Å²	48.2	5%	0.049	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	120.3	172.9	-67.1	-63.7	-177.4	-95.6	9.7	109.5	D894 Y922 L923 S924 I925 C1107 V1109 E1118	D894-R897 PolarHBondContact O-NH1 3Å; R897-Y922 HydrophobicContact CG-CG 4.41Å; R897-L923 PolarHBondContact N-O 3.35Å; R897-S924 CarbonylContact O-C 3.54Å; R897-S924 WeakPolarHBondContact O-CA 3.36Å; R897-I925 PolarHBondContact O-N 2.97Å; R897-C1107 WeakPolarHBondContact CD-SG 3.44Å; R897-C1107 PolarHBondContact NE-SG 2.84Å; R897-V1109 HydrophobicContact CB-CG2 4.02Å; R897-V1109 HydrophobicContact CG-CG2 4.29Å; R897-E1118 IonicContact CZ-OE1 3.05Å; R897-E1118 IonicContact CZ-OE2 3.98Å; R897-E1118 VanDerWaalsContact NE-CD 3.32Å; R897-E1118 IonicContact NE-OE1 3.6Å; R897-E1118 PolarHBondContact NE-OE1 3.43Å; R897-E1118 IonicContact NE-OE2 2.81Å; R897-E1118 PolarHBondContact NE-OE2 3.37Å; R897-E1118 IonicContact NH2-OE1 3.2Å; R897-E1118 IonicContact NH2-OE2 2.86Å; R897-E1118 PolarHBondContact NH2-OE2 3.31Å
898	L	83.6	Confident	60.3	Low	7 Å²	7	52.8 Å²	52.8	4%	0.037	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	128.2	177	-61.2	-173	0	0	0	110.8	I896 F900 I925 L927 I936 I1106 C1107 I1108 V1109	I896-L898 HydrophobicContact CG2-CD2 4.03Å; L898-F900 HydrophobicContact CB-CE2 4.03Å; L898-F900 HydrophobicContact CB-CZ 4.47Å; L898-F900 HydrophobicContact CD1-CE2 4.41Å; L898-F900 HydrophobicContact CD1-CZ 4.25Å; L898-I925 HydrophobicContact CD2-CB 3.79Å; L898-I925 HydrophobicContact CD2-CD1 4.22Å; L898-I925 HydrophobicContact CD2-CG1 4.39Å; L898-I925 HydrophobicContact CD2-CG2 4.27Å; L898-L927 HydrophobicContact CD1-CD1 4.37Å; L898-L927 HydrophobicContact CD2-CD1 4.17Å; L898-I936 HydrophobicContact CD1-CD1 4.43Å; L898-I1106 HydrophobicContact CD1-CD1 3.66Å; L898-I1106 HydrophobicContact CD1-CG1 4.25Å; L898-I1106 HydrophobicContact CD1-CG2 4.29Å; L898-I1106 HydrophobicContact CD2-CD1 4.33Å; L898-I1106 HydrophobicContact CG-CD1 3.82Å; L898-I1106 HydrophobicContact CG-CG1 4.23Å; L898-C1107 PolarHBondContact N-O 3.29Å; L898-I1108 WeakPolarHBondContact O-CA 3.5Å; L898-V1109 PolarHBondContact O-N 2.7Å
899	H	80.6	Confident	60	Low	18 Å²	18	57.4 Å²	57.4	8%	0.083	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	124.6	174.1	-64.3	-96.5	0	0	0	109.7	I925 Y926 L927 V1109	H899-I925 PolarHBondContact N-O 2.82Å; H899-Y926 HydrophobicContact CB-CD1 3.44Å; H899-Y926 VanDerWaalsContact CB-CD1 3.44Å; H899-Y926 HydrophobicContact CB-CE1 3.71Å; H899-Y926 HydrophobicContact CB-CG 4.15Å; H899-Y926 AromaticContact CG-CD1 3.92Å; H899-Y926 AromaticContact CG-CE1 3.66Å; H899-Y926 CarbonylContact O-C 3.6Å; H899-Y926 WeakPolarHBondContact O-CA 3.37Å; H899-L927 PolarHBondContact O-N 3.19Å; H899-V1109 VanDerWaalsContact CE1-CB 3.44Å; H899-V1109 WeakPolarHBondContact CE1-CB 3.41Å
900	F	80.6	Confident	59.2	Low	18 Å²	18	61.9 Å²	61.9	8%	0.079	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	106.8	178.3	-70.2	-79.1	0	0	0	110.5	L898 L927 F929 L931 R932 L935 I936 I1108	L898-F900 HydrophobicContact CB-CE2 4.03Å; L898-F900 HydrophobicContact CB-CZ 4.47Å; L898-F900 HydrophobicContact CD1-CE2 4.41Å; L898-F900 HydrophobicContact CD1-CZ 4.25Å; F900-L927 CarbonylContact C-O 3.41Å; F900-L927 VanDerWaalsContact CA-O 3.31Å; F900-L927 WeakPolarHBondContact CA-O 3.26Å; F900-L927 HydrophobicContact CD1-CB 3.86Å; F900-L927 HydrophobicContact CE1-CB 3.78Å; F900-L927 HydrophobicContact CE1-CD1 3.83Å; F900-L927 HydrophobicContact CE1-CG 4.45Å; F900-L927 HydrophobicContact CZ-CD1 4.04Å; F900-F929 HydrophobicContact CB-CD2 4Å; F900-L931 HydrophobicContact CE1-CB 4.15Å; F900-R932 HydrophobicContact CB-CB 4.39Å; F900-R932 HydrophobicContact CD1-CB 3.6Å; F900-R932 HydrophobicContact CD1-CG 4.3Å; F900-R932 HydrophobicContact CD2-CB 4.1Å; F900-R932 HydrophobicContact CD2-CG 3.88Å; F900-R932 HydrophobicContact CE1-CB 3.79Å; F900-R932 HydrophobicContact CE1-CG 4.41Å; F900-R932 HydrophobicContact CE2-CB 4.27Å; F900-R932 HydrophobicContact CE2-CG 4Å; F900-R932 HydrophobicContact CG-CB 3.75Å; F900-R932 HydrophobicContact CG-CG 4.03Å; F900-R932 HydrophobicContact CZ-CB 4.12Å; F900-R932 HydrophobicContact CZ-CG 4.26Å; F900-L935 HydrophobicContact CE1-CD1 4.3Å; F900-L935 HydrophobicContact CZ-CD1 4.31Å; F900-I936 HydrophobicContact CE2-CG1 4.15Å; F900-I936 HydrophobicContact CZ-CG1 4.11Å; F900-I1108 HydrophobicContact CD2-CG2 3.92Å; F900-I1108 HydrophobicContact CE2-CD1 4.06Å; F900-I1108 HydrophobicContact CE2-CG1 4.39Å; F900-I1108 HydrophobicContact CE2-CG2 4.13Å
901	V	70.7	Confident	59.1	Low	54 Å²	54	61.7 Å²	61.7	33%	0.327	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	131.2	-170.3	-169.1	0	0	0	0	111.5	Y926 L927 F929	V901-Y926 HydrophobicContact CG2-CD1 3.85Å; V901-L927 PolarHBondContact N-O 3.17Å; V901-F929 PolarHBondContact O-N 3.25Å; V901-F929 VanDerWaalsContact O-N 3.14Å
902	P	63.4	Low	58.5	Low	56 Å²	56	66 Å²	66	36%	0.364	36%	0.356	S	S	.	.			trans	-74.3	147.2	173	22.6	-22.5	0	0	0	112.2	S904 L905	P902-S904 PolarHBondContact O-N 2.81Å; P902-S904 VanDerWaalsContact O-N 3.08Å; P902-L905 HydrophobicContact CG-CB 4.38Å; P902-L905 HydrophobicContact CG-CD1 4.09Å; P902-L905 PolarHBondContact O-N 3.32Å
903	K	55.4	Low	57.8	Low	206 Å²	206	71.9 Å²	71.9	90%	0.896	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.5	-27.2	-175.8	-79.5	-175.3	176.6	-179.6	0	114.5
904	S	46.4	Very low	56.7	Low	111 Å²	111	73.5 Å²	73.5	78%	0.776	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.1	-13	-175	51.7	0	0	0	0	114.6	P902	P902-S904 PolarHBondContact O-N 2.81Å; P902-S904 VanDerWaalsContact O-N 3.08Å
905	L	42.8	Very low	55.5	Low	79 Å²	79	72.6 Å²	72.6	41%	0.414	38%	0.383	S	S	.	.			trans	-108.2	33.8	-168.8	-105.3	151.1	0	0	0	113.4	P902 S907 M910	P902-L905 HydrophobicContact CG-CB 4.38Å; P902-L905 HydrophobicContact CG-CD1 4.09Å; P902-L905 PolarHBondContact O-N 3.32Å; L905-S907 PolarHBondContact O-N 3.21Å; L905-M910 HydrophobicContact CD2-CG 4.27Å; L905-M910 HydrophobicContact CD2-SD 4.35Å
906	V	45.2	Very low	54.1	Low	93 Å²	93	77.2 Å²	77.2	56%	0.564	41%	0.407	S	S	*	.			trans	-88.9	51	170.9	-162.2	0	0	0	0	110
907	S	42.4	Very low	52.1	Low	58 Å²	58	85.9 Å²	85.9	41%	0.406	44%	0.441	S	S	.	.			trans	-94.4	122	161.9	54.1	0	0	0	0	107.5	L905 D909 M910	L905-S907 PolarHBondContact O-N 3.21Å; S907-D909 PolarHBondContact O-N 3.44Å; S907-M910 PolarHBondContact O-N 3.39Å
908	N	45.7	Very low	50	Low	96 Å²	96	87.6 Å²	87.6	51%	0.513	46%	0.456	S	S	.	.	H	α-helix	trans	-50.6	-24.4	-178.4	-74	-23.3	0	0	0	113.6	M910 L911 N912	N908-M910 PolarHBondContact O-N 3.48Å; N908-L911 PolarHBondContact O-N 3.09Å; N908-L911 VanDerWaalsContact O-N 3.14Å; N908-N912 PolarHBondContact O-N 3.3Å
909	D	39.8	Very low	48	Very low	126 Å²	126	97.5 Å²	97.5	67%	0.674	50%	0.498	S	S	*	.	H	α-helix	trans	-62.7	-35.8	-176.2	-67.8	-19	0	0	0	115	S907	S907-D909 PolarHBondContact O-N 3.44Å
910	M	40.6	Very low	46.4	Very low	94 Å²	94	102.3 Å²	102.3	46%	0.463	52%	0.521	S	S	.	.	H	α-helix	trans	-76	-31.7	174.2	-81.4	-123.3	103.6	0	0	112	L905 S907 N908 R913	L905-M910 HydrophobicContact CD2-CG 4.27Å; L905-M910 HydrophobicContact CD2-SD 4.35Å; S907-M910 PolarHBondContact O-N 3.39Å; N908-M910 PolarHBondContact O-N 3.48Å; M910-R913 PolarHBondContact O-N 3.36Å
911	L	44.7	Very low	45.4	Very low	32 Å²	32	106.3 Å²	106.3	17%	0.168	55%	0.547	C	S	.	.	H	α-helix	trans	-72.1	-36.3	-179.3	-76.5	156.8	0	0	0	111.5	N908 R913 S914 Y926	N908-L911 PolarHBondContact O-N 3.09Å; N908-L911 VanDerWaalsContact O-N 3.14Å; L911-R913 VanDerWaalsContact C-N 3.35Å; L911-R913 PolarHBondContact O-N 3.19Å; L911-S914 PolarHBondContact O-N 2.66Å; L911-S914 PolarHBondContact O-OG 3.44Å; L911-Y926 HydrophobicContact CD2-CE1 4.44Å
912	N	42.4	Very low	45.5	Very low	94 Å²	94	107.6 Å²	107.6	50%	0.503	55%	0.547	S	S	.	.	H	α-helix	trans	-67.4	-32.5	175.2	-73.7	-9.9	0	0	0	112.8	N908 S914 V915	N908-N912 PolarHBondContact O-N 3.3Å; N912-S914 PolarHBondContact O-N 3.02Å; N912-V915 PolarHBondContact O-N 3.21Å
913	R	39.3	Very low	46.2	Very low	171 Å²	171	105 Å²	105	65%	0.645	53%	0.529	S	S	*	.	H	α-helix	trans	-63.5	-29	174.5	-77	-172.5	-174.7	-172.4	2.7	113.1	M910 L911 V915 Q916	M910-R913 PolarHBondContact O-N 3.36Å; L911-R913 VanDerWaalsContact C-N 3.35Å; L911-R913 PolarHBondContact O-N 3.19Å; R913-V915 VanDerWaalsContact C-N 3.29Å; R913-V915 PolarHBondContact O-N 2.97Å; R913-Q916 PolarHBondContact O-N 3.08Å
914	S	40.6	Very low	47.3	Very low	53 Å²	53	96.3 Å²	96.3	37%	0.371	50%	0.495	S	S	.	.	H	α-helix	trans	-70.8	-24.5	178.5	73	0	0	0	0	113.3	L911 N912	L911-S914 PolarHBondContact O-N 2.66Å; L911-S914 PolarHBondContact O-OG 3.44Å; N912-S914 PolarHBondContact O-N 3.02Å
915	V	36.8	Very low	49	Very low	69 Å²	69	91.1 Å²	91.1	42%	0.418	46%	0.458	S	S	.	.	H	α-helix	trans	-74.8	-25.3	179.4	-175.4	0	0	0	0	112	N912 R913 Y917 S918	N912-V915 PolarHBondContact O-N 3.21Å; R913-V915 VanDerWaalsContact C-N 3.29Å; R913-V915 PolarHBondContact O-N 2.97Å; V915-Y917 PolarHBondContact O-N 3.43Å; V915-S918 WeakPolarHBondContact O-CB 3.45Å; V915-S918 PolarHBondContact O-N 3Å; V915-S918 PolarHBondContact O-OG 2.86Å
916	Q	37	Very low	50.7	Low	173 Å²	173	88.7 Å²	88.7	81%	0.808	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.7	-14.6	-179.7	-93	-179.8	-19.2	0	0	114.6	R913	R913-Q916 PolarHBondContact O-N 3.08Å
917	Y	35.8	Very low	52.4	Low	182 Å²	182	84.5 Å²	84.5	71%	0.714	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.2	14.3	177.4	-71.7	-79.8	0	0	0	114	V915 K919	V915-Y917 PolarHBondContact O-N 3.43Å; Y917-K919 VanDerWaalsContact C-N 3.29Å; Y917-K919 PolarHBondContact O-N 3.19Å
918	S	36.2	Very low	54	Low	50 Å²	50	83.2 Å²	83.2	35%	0.35	41%	0.408	S	S	.	.			trans	-81.1	40.3	-162.6	66.9	0	0	0	0	117.8	K871 V915	K871-S918 PolarHBondContact NZ-O 3.01Å; V915-S918 WeakPolarHBondContact O-CB 3.45Å; V915-S918 PolarHBondContact O-N 3Å; V915-S918 PolarHBondContact O-OG 2.86Å
919	K	41.5	Very low	55.5	Low	214 Å²	214	84.1 Å²	84.1	93%	0.93	41%	0.408	S	S	*	.			trans	-82.3	9.2	155.1	-90.4	-171.7	174.4	-178.6	0	113.2	Y917	Y917-K919 VanDerWaalsContact C-N 3.29Å; Y917-K919 PolarHBondContact O-N 3.19Å
920	Q	47.3	Very low	57.3	Low	119 Å²	119	83 Å²	83	56%	0.556	40%	0.399	S	S	*	.			trans	-95.1	138.4	-171.7	-72.5	-179.1	-15.6	0	0	113.6	Y922	Q920-Y922 VanDerWaalsContact C-N 3.35Å; Q920-Y922 HydrophobicContact CB-CD2 4.01Å; Q920-Y922 HydrophobicContact CG-CD2 4.49Å; Q920-Y922 PolarHBondContact O-N 3.38Å
921	T	59.7	Low	59.1	Low	102 Å²	102	78.7 Å²	78.7	63%	0.626	38%	0.377	S	S	*	.			trans	-91.8	25.8	-173.5	47.4	0	0	0	0	113.9
922	Y	72.4	Confident	60.9	Low	82 Å²	82	78.3 Å²	78.3	32%	0.322	37%	0.374	S	S	.	.			trans	-112.6	145.1	-171.8	-56.1	-65.3	0	0	0	112.5	R895 R897 Q920	R895-Y922 HydrophobicContact CB-CD1 4.45Å; R895-Y922 WeakPolarHBondContact O-CA 3.47Å; R897-Y922 HydrophobicContact CG-CG 4.41Å; Q920-Y922 VanDerWaalsContact C-N 3.35Å; Q920-Y922 HydrophobicContact CB-CD2 4.01Å; Q920-Y922 HydrophobicContact CG-CD2 4.49Å; Q920-Y922 PolarHBondContact O-N 3.38Å
923	L	77.1	Confident	62.7	Low	0 Å²	0	77.1 Å²	77.1	0%	0	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	116.2	172.4	179.9	58	0	0	0	110.5	M840 I842 I873 V889 R895 R897 I925	M840-L923 HydrophobicContact CE-CB 3.7Å; M840-L923 HydrophobicContact CE-CD1 3.76Å; M840-L923 HydrophobicContact CE-CD2 4.46Å; M840-L923 HydrophobicContact CE-CG 4.15Å; M840-L923 HydrophobicContact SD-CB 3.73Å; I842-L923 HydrophobicContact CD1-CD1 3.78Å; I842-L923 HydrophobicContact CD1-CD2 3.91Å; I842-L923 HydrophobicContact CG1-CD2 4.35Å; I873-L923 HydrophobicContact CD1-CD1 4.39Å; I873-L923 HydrophobicContact CD1-CD2 4.14Å; I873-L923 HydrophobicContact CG1-CD1 4.31Å; V889-L923 HydrophobicContact CG1-CD2 3.57Å; V889-L923 HydrophobicContact CG2-CD2 4.28Å; R895-L923 PolarHBondContact O-N 2.99Å; R897-L923 PolarHBondContact N-O 3.35Å; L923-I925 HydrophobicContact CD2-CD1 4.38Å; L923-I925 HydrophobicContact CD2-CG1 4.45Å; L923-I925 HydrophobicContact CG-CG1 4.17Å
924	S	78.9	Confident	64.5	Low	25 Å²	25	70.7 Å²	70.7	18%	0.175	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	117.2	179.3	-60.5	0	0	0	0	111.8	K871 S872 I873 R897	K871-S924 PolarHBondContact O-N 3.32Å; S872-S924 CarbonylContact C-O 2.92Å; S872-S924 WeakPolarHBondContact CA-O 3.19Å; S872-S924 WeakPolarHBondContact CB-O 3.39Å; I873-S924 PolarHBondContact N-O 3.13Å; R897-S924 CarbonylContact O-C 3.54Å; R897-S924 WeakPolarHBondContact O-CA 3.36Å
925	I	82.3	Confident	66.1	Low	1 Å²	1	68.4 Å²	68.4	1%	0.005	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	114.1	-179.4	-52.1	-179	0	0	0	109.4	I873 I896 R897 L898 H899 L923 L927 L1137 I1139	I873-I925 HydrophobicContact CB-CG1 4.45Å; I873-I925 HydrophobicContact CB-CG2 4.37Å; I873-I925 HydrophobicContact CD1-CG1 4.44Å; I896-I925 HydrophobicContact CG2-CD1 3.68Å; I896-I925 HydrophobicContact CG2-CG1 4.19Å; R897-I925 PolarHBondContact O-N 2.97Å; L898-I925 HydrophobicContact CD2-CB 3.79Å; L898-I925 HydrophobicContact CD2-CD1 4.22Å; L898-I925 HydrophobicContact CD2-CG1 4.39Å; L898-I925 HydrophobicContact CD2-CG2 4.27Å; H899-I925 PolarHBondContact N-O 2.82Å; L923-I925 HydrophobicContact CD2-CD1 4.38Å; L923-I925 HydrophobicContact CD2-CG1 4.45Å; L923-I925 HydrophobicContact CG-CG1 4.17Å; I925-L927 HydrophobicContact CG2-CD2 3.91Å; I925-L927 HydrophobicContact CG2-CG 4.08Å; I925-L1137 HydrophobicContact CD1-CD2 4.18Å; I925-L1137 HydrophobicContact CG2-CD2 3.64Å; I925-I1139 HydrophobicContact CD1-CD1 3.97Å
926	Y	78	Confident	68.1	Low	29 Å²	29	65.2 Å²	65.2	11%	0.114	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	107.9	-178.9	-63.1	-91.4	0	0	0	110.6	I873 R874 H899 V901 L911	I873-Y926 PolarHBondContact O-N 2.95Å; R874-Y926 HydrophobicContact CG-CD2 3.96Å; R874-Y926 HydrophobicContact CG-CG 4.39Å; H899-Y926 HydrophobicContact CB-CD1 3.44Å; H899-Y926 VanDerWaalsContact CB-CD1 3.44Å; H899-Y926 HydrophobicContact CB-CE1 3.71Å; H899-Y926 HydrophobicContact CB-CG 4.15Å; H899-Y926 AromaticContact CG-CD1 3.92Å; H899-Y926 AromaticContact CG-CE1 3.66Å; H899-Y926 CarbonylContact O-C 3.6Å; H899-Y926 WeakPolarHBondContact O-CA 3.37Å; V901-Y926 HydrophobicContact CG2-CD1 3.85Å; L911-Y926 HydrophobicContact CD2-CE1 4.44Å
927	L	82	Confident	69.7	Low	4 Å²	4	58.9 Å²	58.9	2%	0.021	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	146.6	-179.1	-61.7	178.1	0	0	0	111	L875 L898 H899 F900 V901 I925 L931 L935 L1131	L875-L927 HydrophobicContact CD1-CD2 3.48Å; L875-L927 VanDerWaalsContact CD1-CD2 3.48Å; L898-L927 HydrophobicContact CD1-CD1 4.37Å; L898-L927 HydrophobicContact CD2-CD1 4.17Å; H899-L927 PolarHBondContact O-N 3.19Å; F900-L927 CarbonylContact C-O 3.41Å; F900-L927 VanDerWaalsContact CA-O 3.31Å; F900-L927 WeakPolarHBondContact CA-O 3.26Å; F900-L927 HydrophobicContact CD1-CB 3.86Å; F900-L927 HydrophobicContact CE1-CB 3.78Å; F900-L927 HydrophobicContact CE1-CD1 3.83Å; F900-L927 HydrophobicContact CE1-CG 4.45Å; F900-L927 HydrophobicContact CZ-CD1 4.04Å; V901-L927 PolarHBondContact N-O 3.17Å; I925-L927 HydrophobicContact CG2-CD2 3.91Å; I925-L927 HydrophobicContact CG2-CG 4.08Å; L927-L931 HydrophobicContact CB-CD1 4.33Å; L927-L931 HydrophobicContact CD2-CD1 4.29Å; L927-L935 HydrophobicContact CD1-CD1 3.62Å; L927-L1131 HydrophobicContact CD1-CD1 4.08Å; L927-L1131 HydrophobicContact CD2-CD1 4.09Å
928	P	75.6	Confident	71.3	Confident	31 Å²	31	55 Å²	55	20%	0.201	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.6	139.1	169.1	-27.5	34.1	0	0	0	112.2	L875 H930 L931	L875-P928 HydrophobicContact CB-CG 4.39Å; L875-P928 VanDerWaalsContact CD1-CD 3.43Å; L875-P928 HydrophobicContact CD1-CG 4.27Å; P928-H930 WeakPolarHBondContact CB-CE1 3.45Å; P928-H930 VanDerWaalsContact CB-ND1 3.31Å; P928-H930 WeakPolarHBondContact CB-ND1 3.28Å; P928-H930 PolarHBondContact O-N 3.17Å; P928-L931 WeakPolarHBondContact O-CB 3.3Å; P928-L931 PolarHBondContact O-N 3.24Å
929	F	77.2	Confident	72.6	Confident	115 Å²	115	60.5 Å²	60.5	50%	0.504	30%	0.295	S	S	.	.	G	3₁₀ helix	trans	-52.6	-33.7	-176.8	-165.5	-97.3	0	0	0	114.7	F900 V901 L931 R932	F900-F929 HydrophobicContact CB-CD2 4Å; V901-F929 PolarHBondContact O-N 3.25Å; V901-F929 VanDerWaalsContact O-N 3.14Å; F929-L931 PolarHBondContact O-N 3.22Å; F929-R932 VanDerWaalsContact O-CB 3.26Å; F929-R932 WeakPolarHBondContact O-CB 3.21Å; F929-R932 PolarHBondContact O-N 3.33Å; F929-R932 VanDerWaalsContact O-N 3.07Å
930	H	77.5	Confident	73.2	Confident	104 Å²	104	57 Å²	57	48%	0.481	28%	0.277	S	S	.	.	G	3₁₀ helix	trans	-65.9	-16.8	179.5	72.2	-90.8	0	0	0	114.5	P928 R932	P928-H930 WeakPolarHBondContact CB-CE1 3.45Å; P928-H930 VanDerWaalsContact CB-ND1 3.31Å; P928-H930 WeakPolarHBondContact CB-ND1 3.28Å; P928-H930 PolarHBondContact O-N 3.17Å; H930-R932 VanDerWaalsContact C-N 3.34Å
931	L	79.4	Confident	73.3	Confident	2 Å²	2	56.1 Å²	56.1	1%	0.01	28%	0.275	C	S	.	.	G	3₁₀ helix	trans	-79.4	-17.7	174.6	-65.6	-179.8	0	0	0	112.4	L875 F900 L927 P928 F929 S933 I934 L935 R1134 T1135	L875-L931 HydrophobicContact CD1-CD1 4.38Å; F900-L931 HydrophobicContact CE1-CB 4.15Å; L927-L931 HydrophobicContact CB-CD1 4.33Å; L927-L931 HydrophobicContact CD2-CD1 4.29Å; P928-L931 WeakPolarHBondContact O-CB 3.3Å; P928-L931 PolarHBondContact O-N 3.24Å; F929-L931 PolarHBondContact O-N 3.22Å; L931-S933 PolarHBondContact O-N 3.43Å; L931-I934 HydrophobicContact CD2-CD1 4.28Å; L931-I934 WeakPolarHBondContact O-CB 3.43Å; L931-I934 PolarHBondContact O-N 3.07Å; L931-I934 VanDerWaalsContact O-N 3.08Å; L931-L935 HydrophobicContact CB-CD1 4.06Å; L931-L935 HydrophobicContact CB-CG 4.49Å; L931-L935 VanDerWaalsContact O-CG 3.32Å; L931-L935 WeakPolarHBondContact O-CG 3.43Å; L931-L935 PolarHBondContact O-N 3.45Å; L931-R1134 HydrophobicContact CD2-CB 4.16Å; L931-R1134 VanDerWaalsContact CD2-CD 3.43Å; L931-R1134 HydrophobicContact CD2-CG 4.46Å; L931-T1135 HydrophobicContact CD1-CG2 3.45Å; L931-T1135 VanDerWaalsContact CD1-CG2 3.45Å
932	R	82	Confident	72.8	Confident	24 Å²	24	54 Å²	54	9%	0.091	26%	0.26	C	S	.	.	H	α-helix	trans	-57.3	-53.6	-177.3	-171.8	-177.6	-179.9	109.6	3.3	111.8	F900 F929 H930 I934 L935 I936 E938 N1110	F900-R932 HydrophobicContact CB-CB 4.39Å; F900-R932 HydrophobicContact CD1-CB 3.6Å; F900-R932 HydrophobicContact CD1-CG 4.3Å; F900-R932 HydrophobicContact CD2-CB 4.1Å; F900-R932 HydrophobicContact CD2-CG 3.88Å; F900-R932 HydrophobicContact CE1-CB 3.79Å; F900-R932 HydrophobicContact CE1-CG 4.41Å; F900-R932 HydrophobicContact CE2-CB 4.27Å; F900-R932 HydrophobicContact CE2-CG 4Å; F900-R932 HydrophobicContact CG-CB 3.75Å; F900-R932 HydrophobicContact CG-CG 4.03Å; F900-R932 HydrophobicContact CZ-CB 4.12Å; F900-R932 HydrophobicContact CZ-CG 4.26Å; F929-R932 VanDerWaalsContact O-CB 3.26Å; F929-R932 WeakPolarHBondContact O-CB 3.21Å; F929-R932 PolarHBondContact O-N 3.33Å; F929-R932 VanDerWaalsContact O-N 3.07Å; H930-R932 VanDerWaalsContact C-N 3.34Å; R932-I934 PolarHBondContact O-N 2.56Å; R932-I934 VanDerWaalsContact O-N 3.09Å; R932-L935 PolarHBondContact O-N 3.04Å; R932-I936 HydrophobicContact CG-CG1 4.48Å; R932-I936 WeakPolarHBondContact O-CB 3.34Å; R932-I936 PolarHBondContact O-N 3.44Å; R932-E938 IonicContact NE-OE1 3.53Å; R932-E938 PolarHBondContact NE-OE1 2.8Å; R932-N1110 PolarHBondContact NH1-OD1 2.93Å; R932-N1110 PolarHBondContact NH2-OD1 3Å; R932-N1110 VanDerWaalsContact NH2-OD1 3.08Å
933	S	79.4	Confident	71.5	Confident	70 Å²	70	59.6 Å²	59.6	49%	0.49	29%	0.286	S	S	.	.	H	α-helix	trans	-65.3	-14.8	-179.8	61.8	0	0	0	0	113.5	L931 K1124	L931-S933 PolarHBondContact O-N 3.43Å; S933-K1124 PolarHBondContact O-NZ 2.96Å
934	I	77.1	Confident	69.9	Low	36 Å²	36	64.3 Å²	64.3	19%	0.185	31%	0.311	C	S	.	.	H	α-helix	trans	-91.4	-39.2	-179.3	-66	174.1	0	0	0	111	L931 R932 K1124 E1130 R1134	L931-I934 HydrophobicContact CD2-CD1 4.28Å; L931-I934 WeakPolarHBondContact O-CB 3.43Å; L931-I934 PolarHBondContact O-N 3.07Å; L931-I934 VanDerWaalsContact O-N 3.08Å; R932-I934 PolarHBondContact O-N 2.56Å; R932-I934 VanDerWaalsContact O-N 3.09Å; I934-K1124 WeakPolarHBondContact O-CD 3.46Å; I934-E1130 HydrophobicContact CG2-CB 3.88Å; I934-E1130 HydrophobicContact CG2-CG 3.22Å; I934-R1134 VanDerWaalsContact CD1-NH1 3.27Å
935	L	74.3	Confident	67.9	Low	5 Å²	5	70.8 Å²	70.8	3%	0.026	34%	0.339	C	S	.	.	H	α-helix	trans	-91.1	-32.9	-174.7	-60.1	173.9	0	0	0	112.5	F900 L927 L931 R932 V1123 K1124 A1127 L1131	F900-L935 HydrophobicContact CE1-CD1 4.3Å; F900-L935 HydrophobicContact CZ-CD1 4.31Å; L927-L935 HydrophobicContact CD1-CD1 3.62Å; L931-L935 HydrophobicContact CB-CD1 4.06Å; L931-L935 HydrophobicContact CB-CG 4.49Å; L931-L935 VanDerWaalsContact O-CG 3.32Å; L931-L935 WeakPolarHBondContact O-CG 3.43Å; L931-L935 PolarHBondContact O-N 3.45Å; R932-L935 PolarHBondContact O-N 3.04Å; L935-V1123 WeakPolarHBondContact O-CG1 3.36Å; L935-K1124 PolarHBondContact O-N 2.81Å; L935-A1127 HydrophobicContact CB-CB 4.24Å; L935-A1127 HydrophobicContact CD2-CB 3.8Å; L935-A1127 WeakPolarHBondContact CD2-O 3.2Å; L935-A1127 WeakPolarHBondContact O-CB 3.36Å; L935-L1131 HydrophobicContact CD1-CD1 3.78Å; L935-L1131 HydrophobicContact CD2-CB 3.9Å; L935-L1131 HydrophobicContact CD2-CD1 4.33Å
936	I	78.5	Confident	65.6	Low	2 Å²	2	76.5 Å²	76.5	1%	0.01	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	132.6	-166.3	-54.1	-59.5	0	0	0	110.5	L898 F900 R932 E938 I1106 I1108 F1121 K1124	L898-I936 HydrophobicContact CD1-CD1 4.43Å; F900-I936 HydrophobicContact CE2-CG1 4.15Å; F900-I936 HydrophobicContact CZ-CG1 4.11Å; R932-I936 HydrophobicContact CG-CG1 4.48Å; R932-I936 WeakPolarHBondContact O-CB 3.34Å; R932-I936 PolarHBondContact O-N 3.44Å; I936-E938 PolarHBondContact O-N 3.42Å; I936-I1106 HydrophobicContact CD1-CG2 3.8Å; I936-I1108 HydrophobicContact CB-CD1 4.13Å; I936-I1108 HydrophobicContact CD1-CD1 3.6Å; I936-I1108 HydrophobicContact CD1-CG1 4.28Å; I936-I1108 HydrophobicContact CG1-CD1 3.47Å; I936-I1108 VanDerWaalsContact CG1-CD1 3.47Å; I936-I1108 HydrophobicContact CG2-CD1 3.67Å; I936-F1121 HydrophobicContact CG2-CB 3.45Å; I936-F1121 VanDerWaalsContact CG2-CB 3.45Å; I936-F1121 HydrophobicContact CG2-CD1 3.65Å; I936-F1121 HydrophobicContact CG2-CD2 4.49Å; I936-F1121 HydrophobicContact CG2-CE1 4.47Å; I936-F1121 HydrophobicContact CG2-CG 3.65Å; I936-K1124 WeakPolarHBondContact O-CE 3.29Å
937	D	70.9	Confident	63.5	Low	40 Å²	40	84.7 Å²	84.7	21%	0.214	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	97.5	171.7	-162	-10.2	0	0	0	110.6	H939 Y940 H1122 K1124	D937-H939 PolarHBondContact O-N 3.34Å; D937-H939 VanDerWaalsContact O-N 3.15Å; D937-H939 IonicContact OD1-CE1 2.83Å; D937-H939 IonicContact OD1-CG 3.93Å; D937-H939 PolarHBondContact OD1-N 3.14Å; D937-H939 IonicContact OD1-ND1 3.64Å; D937-H939 PolarHBondContact OD1-ND1 3.35Å; D937-Y940 HydrophobicContact CB-CD2 4.47Å; D937-Y940 PolarHBondContact O-N 2.85Å; D937-H1122 PolarHBondContact N-O 3.23Å; D937-K1124 HydrophobicContact CB-CG 3.96Å
938	E	70.4	Confident	60.9	Low	101 Å²	101	88.5 Å²	88.5	47%	0.472	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	-8.9	-177.8	-60.2	-162.9	153.2	0	0	113.7	R932 I936 Y940	R932-E938 IonicContact NE-OE1 3.53Å; R932-E938 PolarHBondContact NE-OE1 2.8Å; I936-E938 PolarHBondContact O-N 3.42Å; E938-Y940 PolarHBondContact O-N 3.04Å
939	H	63.7	Low	58.7	Low	164 Å²	164	94.7 Å²	94.7	76%	0.759	47%	0.471	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.4	-16.8	178.6	-60	75.3	0	0	0	112.8	D937	D937-H939 PolarHBondContact O-N 3.34Å; D937-H939 VanDerWaalsContact O-N 3.15Å; D937-H939 IonicContact OD1-CE1 2.83Å; D937-H939 IonicContact OD1-CG 3.93Å; D937-H939 PolarHBondContact OD1-N 3.14Å; D937-H939 IonicContact OD1-ND1 3.64Å; D937-H939 PolarHBondContact OD1-ND1 3.35Å
940	Y	54	Low	56.3	Low	142 Å²	142	95.6 Å²	95.6	56%	0.557	48%	0.481	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-122.5	69.2	-175.7	-60.4	-88	0	0	0	111.2	D937 E938 L942	D937-Y940 HydrophobicContact CB-CD2 4.47Å; D937-Y940 PolarHBondContact O-N 2.85Å; E938-Y940 PolarHBondContact O-N 3.04Å; Y940-L942 PolarHBondContact O-N 2.83Å
941	L	48.6	Very low	54.1	Low	99 Å²	99	96.6 Å²	96.6	52%	0.518	49%	0.494	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	111.8	165.9	-102.6	151.7	0	0	0	109.3	K943 F1121	L941-K943 PolarHBondContact O-N 3.14Å; L941-F1121 HydrophobicContact CD1-CE1 4.16Å; L941-F1121 HydrophobicContact CD2-CD1 4.47Å; L941-F1121 HydrophobicContact CD2-CE1 3.65Å; L941-F1121 HydrophobicContact CD2-CE2 4.31Å; L941-F1121 HydrophobicContact CD2-CZ 3.54Å; L941-F1121 HydrophobicContact CG-CD1 4.25Å; L941-F1121 HydrophobicContact CG-CE1 3.5Å; L941-F1121 HydrophobicContact CG-CZ 3.94Å
942	L	49.2	Very low	51.6	Low	59 Å²	59	103 Å²	103	31%	0.309	53%	0.528	S	S	.	.			trans	-72.7	119.4	170.9	-71.7	152.8	0	0	0	107.9	Y940 N944 C1105 W1120	Y940-L942 PolarHBondContact O-N 2.83Å; L942-N944 PolarHBondContact O-N 3.19Å; L942-C1105 HydrophobicContact CD1-CB 4.09Å; L942-C1105 WeakPolarHBondContact CD1-SG 3.44Å; L942-W1120 HydrophobicContact CD1-CB 4.14Å
943	K	45.7	Very low	49	Very low	198 Å²	198	113.3 Å²	113.3	86%	0.861	57%	0.567	S	S	*	*			trans	-58.9	135.6	177.5	-76.1	-176.8	176.9	179.1	0	109.5	L941 E945	L941-K943 PolarHBondContact O-N 3.14Å; K943-E945 PolarHBondContact O-N 3.22Å
944	N	43.1	Very low	46.5	Very low	99 Å²	99	114.6 Å²	114.6	53%	0.529	58%	0.576	S	S	.	*			trans	-60.7	37.7	-170.6	-69.7	-9.3	0	0	0	116.9	L942 P946	L942-N944 PolarHBondContact O-N 3.19Å; N944-P946 WeakPolarHBondContact O-CD 3.5Å
945	E	36.3	Very low	44.2	Very low	161 Å²	161	118.6 Å²	118.6	75%	0.752	60%	0.602	S	S	*	*			trans	-76.6	119.2	165.2	-68.9	-160.4	173.2	0	0	108.2	K943 Y947	K943-E945 PolarHBondContact O-N 3.22Å; E945-Y947 PolarHBondContact O-N 3.15Å
946	P	35	Very low	41.9	Very low	122 Å²	122	125.7 Å²	125.7	79%	0.792	64%	0.64	S	S	*	*			trans	-63.7	106	173.4	27	-29.3	0	0	0	105.5	N944 A948	N944-P946 WeakPolarHBondContact O-CD 3.5Å; P946-A948 PolarHBondContact O-N 2.92Å
947	Y	33	Very low	39.8	Very low	201 Å²	201	134.1 Å²	134.1	79%	0.788	68%	0.677	S	S	*	*			trans	-58.1	90.2	168.8	-93.5	-98.2	0	0	0	106.7	E945 L949	E945-Y947 PolarHBondContact O-N 3.15Å; Y947-L949 VanDerWaalsContact C-N 3.3Å; Y947-L949 PolarHBondContact O-N 2.89Å
948	A	29.1	Very low	37.8	Very low	84 Å²	84	140 Å²	140	69%	0.694	71%	0.708	S	S	*	*			trans	-57	107.2	158.4	0	0	0	0	0	104.1	P946 D950	P946-A948 PolarHBondContact O-N 2.92Å; A948-D950 PolarHBondContact O-N 3.27Å
949	L	29.1	Very low	35.9	Very low	160 Å²	160	142.7 Å²	142.7	84%	0.838	72%	0.724	S	S	*	*			trans	-55.8	86.1	165.1	-87.8	140.2	0	0	0	106	Y947 V951	Y947-L949 VanDerWaalsContact C-N 3.3Å; Y947-L949 PolarHBondContact O-N 2.89Å; L949-V951 HydrophobicContact CB-CG2 4.43Å; L949-V951 PolarHBondContact O-N 3.26Å
950	D	25.8	Very low	34.3	Very low	135 Å²	135	138.5 Å²	138.5	72%	0.722	73%	0.725	S	S	*	*			trans	-76.2	86.2	175.6	-138.7	-6.2	0	0	0	105.3	A948 N952	A948-D950 PolarHBondContact O-N 3.27Å; D950-N952 PolarHBondContact O-N 3.01Å
951	V	31.7	Very low	33.2	Very low	125 Å²	125	139.9 Å²	139.9	76%	0.758	74%	0.737	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.7	0.2	-179	174.1	0	0	0	0	111.9	L949	L949-V951 HydrophobicContact CB-CG2 4.43Å; L949-V951 PolarHBondContact O-N 3.26Å
952	N	26.8	Very low	32.5	Very low	137 Å²	137	146 Å²	146	73%	0.733	75%	0.754	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.7	26	-173.1	-68.6	-30.6	0	0	0	115.2	D950 S954	D950-N952 PolarHBondContact O-N 3.01Å; N952-S954 PolarHBondContact O-N 3.44Å
953	R	27.1	Very low	31.8	Very low	239 Å²	239	147.4 Å²	147.4	90%	0.902	77%	0.769	S	S	*	*			trans	-68.6	93.8	160.6	-101.2	-171.9	-170.2	178.5	5.3	109.3	V955	R953-V955 PolarHBondContact O-N 2.8Å
954	S	27.1	Very low	31.7	Very low	97 Å²	97	143 Å²	143	68%	0.678	76%	0.759	S	S	*	*			trans	-32.9	118.1	171.9	54.2	0	0	0	0	111.6	N952 D956	N952-S954 PolarHBondContact O-N 3.44Å; S954-D956 PolarHBondContact O-N 3.22Å
955	V	29.4	Very low	32.1	Very low	120 Å²	120	139.2 Å²	139.2	73%	0.727	74%	0.739	S	S	*	*			trans	-49.7	104.4	167	-179.6	0	0	0	0	108.4	R953 K957	R953-V955 PolarHBondContact O-N 2.8Å; V955-K957 HydrophobicContact CG1-CG 3.9Å; V955-K957 PolarHBondContact O-N 2.9Å
956	D	26.2	Very low	33	Very low	155 Å²	155	133.4 Å²	133.4	83%	0.829	72%	0.718	S	S	*	*			trans	-62.8	86.7	161.4	-88.7	-33.6	0	0	0	107.3	S954 N958	S954-D956 PolarHBondContact O-N 3.22Å; D956-N958 PolarHBondContact O-N 3.15Å
957	K	33	Very low	34.5	Very low	179 Å²	179	130.5 Å²	130.5	78%	0.778	69%	0.691	S	S	*	*			trans	-68	79.6	170.7	-70.9	-179.9	177.7	178.1	0	107.7	V955	V955-K957 HydrophobicContact CG1-CG 3.9Å; V955-K957 PolarHBondContact O-N 2.9Å
958	N	29.8	Very low	36.1	Very low	162 Å²	162	121.9 Å²	121.9	87%	0.866	66%	0.659	S	S	*	*			trans	-170.1	34.9	161.7	-93.7	-18	0	0	0	115.7	D956	D956-N958 PolarHBondContact O-N 3.15Å
959	I	30.4	Very low	38.2	Very low	159 Å²	159	117.9 Å²	117.9	82%	0.815	63%	0.626	S	S	*	*			trans	-120.3	77.9	160.5	-56.4	177	0	0	0	107.8	Q961	I959-Q961 PolarHBondContact O-N 3.17Å
960	G	29.6	Very low	40.4	Very low	75 Å²	75	111 Å²	111	77%	0.773	59%	0.59	S	S	*	*			trans	-78	66.1	172.7	0	0	0	0	0	111.4
961	Q	31.5	Very low	43	Very low	172 Å²	172	104.6 Å²	104.6	80%	0.804	56%	0.556	S	S	*	*			trans	-142.2	97.7	159.4	-86.4	-179.1	-17.2	0	0	106.2	I959 S963	I959-Q961 PolarHBondContact O-N 3.17Å; Q961-S963 PolarHBondContact O-N 2.94Å
962	Y	33.9	Very low	45.3	Very low	227 Å²	227	99.3 Å²	99.3	89%	0.89	52%	0.524	S	S	*	.			trans	-63.9	88.2	173.8	-67.4	-86.6	0	0	0	108.5	T964	Y962-T964 VanDerWaalsContact C-N 3.33Å; Y962-T964 PolarHBondContact O-N 3.13Å
963	S	34	Very low	47.9	Very low	88 Å²	88	92.9 Å²	92.9	62%	0.615	49%	0.489	S	S	*	.			trans	-61.5	99.6	158.7	161.3	0	0	0	0	106.5	Q961 N965	Q961-S963 PolarHBondContact O-N 2.94Å; S963-N965 VanDerWaalsContact C-N 3.3Å; S963-N965 PolarHBondContact O-N 3.33Å; S963-N965 PolarHBondContact O-OD1 2.72Å; S963-N965 PolarHBondContact OG-OD1 2.82Å
964	T	44.6	Very low	50.4	Low	105 Å²	105	83.4 Å²	83.4	64%	0.644	46%	0.458	S	S	*	.			trans	-67.3	94.7	168.8	45.6	0	0	0	0	107.2	Y962 A966	Y962-T964 VanDerWaalsContact C-N 3.33Å; Y962-T964 PolarHBondContact O-N 3.13Å; T964-A966 PolarHBondContact O-N 2.93Å
965	N	51.3	Low	52.9	Low	21 Å²	21	78.8 Å²	78.8	11%	0.112	43%	0.426	C	S	.	.			trans	-54.4	132.8	175.5	-69.7	4.6	0	0	0	109.1	S963 R967 Q1095 T1096	S963-N965 VanDerWaalsContact C-N 3.3Å; S963-N965 PolarHBondContact O-N 3.33Å; S963-N965 PolarHBondContact O-OD1 2.72Å; S963-N965 PolarHBondContact OG-OD1 2.82Å; N965-R967 WeakPolarHBondContact O-CG 3.4Å; N965-R967 PolarHBondContact O-N 3.04Å; N965-Q1095 HydrophobicContact CB-CG 3.81Å; N965-T1096 WeakPolarHBondContact CB-OG1 3.23Å; N965-T1096 PolarHBondContact ND2-O 3.19Å
966	A	54.8	Low	54.9	Low	38 Å²	38	75.6 Å²	75.6	31%	0.314	41%	0.409	S	S	.	.			trans	-57.3	129.5	176.5	0	0	0	0	0	110.3	T695 T964 T1096	T695-A966 HydrophobicContact CG2-CB 3.4Å; T695-A966 VanDerWaalsContact CG2-CB 3.4Å; T964-A966 PolarHBondContact O-N 2.93Å; A966-T1096 PolarHBondContact N-OG1 3.45Å; A966-T1096 PolarHBondContact O-N 3.18Å; A966-T1096 PolarHBondContact O-OG1 2.88Å
967	R	66	Low	57.2	Low	61 Å²	61	70.3 Å²	70.3	23%	0.23	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	141.4	-171.8	-79.1	158.2	172.3	177.1	-5.8	110.1	N965 A1046 D1047 W1050 L1094 Q1095	N965-R967 WeakPolarHBondContact O-CG 3.4Å; N965-R967 PolarHBondContact O-N 3.04Å; R967-A1046 HydrophobicContact CB-CB 4.12Å; R967-A1046 WeakPolarHBondContact O-CB 3.47Å; R967-D1047 WeakPolarHBondContact CD-OD1 3.48Å; R967-D1047 IonicContact CZ-OD1 2.77Å; R967-D1047 IonicContact NE-OD1 3.86Å; R967-D1047 IonicContact NH1-OD1 3.5Å; R967-D1047 PolarHBondContact NH1-OD1 2.78Å; R967-W1050 HydrophobicContact CB-CD2 4.43Å; R967-W1050 HydrophobicContact CB-CE3 3.71Å; R967-W1050 HydrophobicContact CB-CH2 4.26Å; R967-W1050 HydrophobicContact CB-CZ3 3.6Å; R967-W1050 HydrophobicContact CG-CD2 3.97Å; R967-W1050 HydrophobicContact CG-CE3 3.71Å; R967-W1050 HydrophobicContact CG-CH2 3.89Å; R967-W1050 HydrophobicContact CG-CZ2 4.14Å; R967-W1050 HydrophobicContact CG-CZ3 3.67Å; R967-L1094 CarbonylContact C-O 3.6Å; R967-L1094 WeakPolarHBondContact CA-O 3.39Å; R967-Q1095 HydrophobicContact CG-CB 4.1Å; R967-Q1095 HydrophobicContact CG-CG 3.91Å
968	L	66.3	Low	59.3	Low	21 Å²	21	62.8 Å²	62.8	11%	0.11	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	134.1	176.8	-180	72.4	0	0	0	108.6	Q1040 L1041 F1042 L1094	L968-Q1040 HydrophobicContact CD1-CB 4.17Å; L968-L1041 CarbonylContact C-O 3.55Å; L968-L1041 WeakPolarHBondContact CA-O 3.43Å; L968-L1041 WeakPolarHBondContact CD1-O 3.47Å; L968-F1042 HydrophobicContact CD1-CB 4.03Å; L968-L1094 HydrophobicContact CB-CB 4.28Å; L968-L1094 HydrophobicContact CD2-CD1 4.16Å; L968-L1094 PolarHBondContact N-O 2.71Å; L968-L1094 PolarHBondContact O-N 3.06Å
969	I	73.6	Confident	61.6	Low	0 Å²	0	55.7 Å²	55.7	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	119.5	174	-45.9	-177.7	0	0	0	108.1	I971 Q1040 L1041 A1046 W1049 W1050 L1057 I1091 A1092 R1093	I969-I971 HydrophobicContact CB-CD1 4.46Å; I969-I971 HydrophobicContact CG2-CD1 3.94Å; I969-I971 HydrophobicContact CG2-CG1 4.37Å; I969-Q1040 CarbonylContact O-C 3.27Å; I969-Q1040 VanDerWaalsContact O-CA 3.25Å; I969-Q1040 WeakPolarHBondContact O-CA 3.39Å; I969-L1041 HydrophobicContact CB-CB 4.21Å; I969-L1041 PolarHBondContact N-O 3.44Å; I969-L1041 PolarHBondContact O-N 3.3Å; I969-A1046 HydrophobicContact CG1-CB 4.27Å; I969-W1049 HydrophobicContact CD1-CB 4.06Å; I969-W1050 HydrophobicContact CD1-CE3 4Å; I969-W1050 HydrophobicContact CG1-CE3 3.84Å; I969-W1050 HydrophobicContact CG1-CZ3 3.94Å; I969-L1057 HydrophobicContact CD1-CD2 4.32Å; I969-L1057 HydrophobicContact CG2-CD2 3.85Å; I969-I1091 HydrophobicContact CG2-CG2 3.57Å; I969-A1092 CarbonylContact C-O 3.6Å; I969-A1092 WeakPolarHBondContact CA-O 3.27Å; I969-R1093 HydrophobicContact CD1-CG 4.34Å; I969-R1093 HydrophobicContact CG1-CG 4.11Å; I969-R1093 HydrophobicContact CG2-CG 3.96Å
970	T	74.6	Confident	64	Low	16 Å²	16	48.2 Å²	48.2	10%	0.098	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	129.5	173.6	-56.4	0	0	0	0	109.7	Q1038 Q1040 I1091 A1092	T970-Q1038 HydrophobicContact CG2-CG 3.7Å; T970-Q1040 HydrophobicContact CG2-CG 4.19Å; T970-I1091 CarbonylContact O-C 3.08Å; T970-I1091 WeakPolarHBondContact O-CA 3.5Å; T970-A1092 PolarHBondContact N-O 2.93Å; T970-A1092 PolarHBondContact O-N 3.37Å
971	I	81	Confident	66.1	Low	0 Å²	0	44.9 Å²	44.9	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	128.1	178.3	-59.6	97.1	0	0	0	109	I969 L973 Q1038 T1039 L1041 L1057 V1061 Y1090 I1091	I969-I971 HydrophobicContact CB-CD1 4.46Å; I969-I971 HydrophobicContact CG2-CD1 3.94Å; I969-I971 HydrophobicContact CG2-CG1 4.37Å; I971-L973 HydrophobicContact CG2-CD2 3.82Å; I971-L973 HydrophobicContact CG2-CG 4.17Å; I971-Q1038 CarbonylContact O-C 3.52Å; I971-Q1038 VanDerWaalsContact O-CA 3.3Å; I971-Q1038 WeakPolarHBondContact O-CA 3.34Å; I971-T1039 HydrophobicContact CB-CG2 4.28Å; I971-T1039 PolarHBondContact N-O 3.3Å; I971-T1039 PolarHBondContact O-N 3.46Å; I971-L1041 HydrophobicContact CD1-CD1 3.02Å; I971-L1041 HydrophobicContact CD1-CG 4.46Å; I971-L1041 HydrophobicContact CG1-CD1 4.42Å; I971-L1057 HydrophobicContact CD1-CD2 4.2Å; I971-L1057 HydrophobicContact CD1-CG 4.47Å; I971-L1057 HydrophobicContact CG1-CD2 4.23Å; I971-L1057 HydrophobicContact CG1-CG 4.39Å; I971-V1061 HydrophobicContact CD1-CG2 4.41Å; I971-Y1090 CarbonylContact C-O 3.59Å; I971-Y1090 WeakPolarHBondContact CA-O 3.39Å; I971-I1091 HydrophobicContact CB-CG1 4.44Å; I971-I1091 HydrophobicContact CG1-CB 4.48Å; I971-I1091 HydrophobicContact CG1-CD1 4.44Å; I971-I1091 HydrophobicContact CG1-CG1 3.83Å; I971-I1091 HydrophobicContact CG1-CG2 4.26Å; I971-I1091 HydrophobicContact CG2-CG1 4.1Å
972	T	80.1	Confident	67.8	Low	14 Å²	14	41.1 Å²	41.1	9%	0.086	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	126.5	172.5	-51.2	0	0	0	0	108.8	L1027 I1036 L1037 Q1038 S1089 Y1090	T972-L1027 HydrophobicContact CG2-CD1 4.09Å; T972-I1036 HydrophobicContact CG2-CG2 3.8Å; T972-L1037 CarbonylContact C-O 3.57Å; T972-L1037 VanDerWaalsContact CA-O 3.23Å; T972-L1037 WeakPolarHBondContact CA-O 3.47Å; T972-L1037 WeakPolarHBondContact CG2-O 3.33Å; T972-Q1038 PolarHBondContact OG1-NE2 3.36Å; T972-S1089 CarbonylContact O-C 3.57Å; T972-S1089 WeakPolarHBondContact O-CA 3.32Å; T972-S1089 WeakPolarHBondContact O-CB 3.26Å; T972-Y1090 PolarHBondContact N-O 3.43Å; T972-Y1090 PolarHBondContact O-N 3.47Å
973	L	82	Confident	69.4	Low	1 Å²	1	34.5 Å²	34.5	1%	0.005	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	130.5	-178.7	-58.5	175.2	0	0	0	109.3	I971 Y975 I1036 L1037 V1061 L1086	I971-L973 HydrophobicContact CG2-CD2 3.82Å; I971-L973 HydrophobicContact CG2-CG 4.17Å; L973-Y975 HydrophobicContact CB-CD2 4.3Å; L973-Y975 HydrophobicContact CB-CE2 3.62Å; L973-Y975 HydrophobicContact CD1-CE2 4.18Å; L973-I1036 CarbonylContact O-C 3.58Å; L973-I1036 WeakPolarHBondContact O-CA 3.34Å; L973-L1037 HydrophobicContact CB-CB 4.48Å; L973-L1037 PolarHBondContact N-O 3.49Å; L973-L1037 PolarHBondContact O-N 3.26Å; L973-V1061 HydrophobicContact CD1-CG1 3.83Å; L973-L1086 HydrophobicContact CB-CD1 3.89Å; L973-L1086 HydrophobicContact CD2-CD1 4.09Å; L973-L1086 HydrophobicContact CD2-CD2 4.34Å
974	V	78.3	Confident	70.8	Confident	41 Å²	41	31 Å²	31	25%	0.248	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	113.6	179.9	-176.4	0	0	0	0	108.8	I1036 L1087 S1088	V974-I1036 HydrophobicContact CG1-CG1 4.41Å; V974-I1036 HydrophobicContact CG2-CG1 4.48Å; V974-I1036 HydrophobicContact CG2-CG2 4.42Å; V974-L1087 WeakPolarHBondContact O-CB 3.49Å; V974-L1087 PolarHBondContact O-N 2.83Å; V974-S1088 PolarHBondContact N-O 2.68Å; V974-S1088 PolarHBondContact O-N 3.11Å
975	Y	81.3	Confident	71.3	Confident	0 Å²	0	28.4 Å²	28.4	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	155	178.9	-66.6	-88.9	0	0	0	111.5	L973 S977 W979 W980 G1035 L1037 D1062 L1065 L1086	L973-Y975 HydrophobicContact CB-CD2 4.3Å; L973-Y975 HydrophobicContact CB-CE2 3.62Å; L973-Y975 HydrophobicContact CD1-CE2 4.18Å; Y975-S977 VanDerWaalsContact CB-O 3.28Å; Y975-S977 WeakPolarHBondContact CB-O 3.08Å; Y975-S977 PolarHBondContact O-N 3.29Å; Y975-W979 AromaticContact CD1-NE1 3.34Å; Y975-W979 VanDerWaalsContact CD1-NE1 3.34Å; Y975-W979 HydrophobicContact CE1-CZ2 4.24Å; Y975-W979 AromaticContact CE1-NE1 3.66Å; Y975-W979 AromaticContact CG-NE1 3.6Å; Y975-W980 AromaticContact CD2-CH2 3.85Å; Y975-W980 HydrophobicContact CD2-CH2 3.85Å; Y975-W980 AromaticContact CD2-CZ3 3.43Å; Y975-W980 HydrophobicContact CD2-CZ3 3.43Å; Y975-W980 VanDerWaalsContact CD2-CZ3 3.43Å; Y975-W980 HydrophobicContact CE2-CZ3 4Å; Y975-W980 AromaticContact CG-CZ3 3.93Å; Y975-W980 HydrophobicContact CG-CZ3 3.93Å; Y975-G1035 PolarHBondContact N-O 3.32Å; Y975-G1035 PolarHBondContact O-N 3.33Å; Y975-L1037 HydrophobicContact CE2-CD1 4.3Å; Y975-D1062 VanDerWaalsContact CE1-OD1 3.24Å; Y975-D1062 WeakPolarHBondContact CE1-OD1 3.38Å; Y975-D1062 VanDerWaalsContact CZ-OD1 3.28Å; Y975-D1062 PolarHBondContact OH-OD1 2.84Å; Y975-L1065 HydrophobicContact CE2-CD2 4.05Å; Y975-L1065 WeakPolarHBondContact OH-CD2 3.33Å; Y975-L1086 HydrophobicContact CD1-CB 4.17Å; Y975-L1086 HydrophobicContact CD1-CD1 4.18Å; Y975-L1086 HydrophobicContact CD2-CD1 4.32Å; Y975-L1086 HydrophobicContact CE1-CB 3.91Å; Y975-L1086 HydrophobicContact CE1-CD1 3.87Å; Y975-L1086 HydrophobicContact CE1-CG 4.47Å; Y975-L1086 HydrophobicContact CE2-CD1 4.05Å; Y975-L1086 HydrophobicContact CG-CD1 4.39Å
976	S	71.5	Confident	71.1	Confident	53 Å²	53	36.2 Å²	36.2	37%	0.371	19%	0.192	S	C	.	.	S	Bend	trans	-64.4	-26.6	173.8	55.1	0	0	0	0	113.5	N1085	S976-N1085 PolarHBondContact N-O 3.35Å; S976-N1085 VanDerWaalsContact N-O 3.15Å; S976-N1085 PolarHBondContact OG-O 2.58Å
977	S	72.7	Confident	70.3	Confident	43 Å²	43	37 Å²	37	30%	0.301	20%	0.204	S	C	.	.	S	Bend	trans	-142.9	153.2	177.2	69.4	0	0	0	0	111.1	Y975 W979 R1083	Y975-S977 VanDerWaalsContact CB-O 3.28Å; Y975-S977 WeakPolarHBondContact CB-O 3.08Å; Y975-S977 PolarHBondContact O-N 3.29Å; S977-W979 VanDerWaalsContact O-CD1 3.27Å; S977-W979 PolarHBondContact O-N 3.36Å; S977-W979 VanDerWaalsContact O-N 3.12Å; S977-R1083 PolarHBondContact OG-O 2.84Å; S977-R1083 VanDerWaalsContact OG-O 3.12Å
978	S	77.5	Confident	68.5	Low	22 Å²	22	42.2 Å²	42.2	15%	0.154	23%	0.228	C	C	.	.			trans	-86.4	56.2	178.5	61.3	0	0	0	0	112.2	W980 R981	S978-W980 PolarHBondContact O-N 3.4Å; S978-R981 VanDerWaalsContact CB-NH1 3.34Å; S978-R981 WeakPolarHBondContact O-CB 3.38Å; S978-R981 PolarHBondContact O-N 3.41Å; S978-R981 VanDerWaalsContact O-N 3.17Å; S978-R981 PolarHBondContact OG-NH1 3.31Å
979	W	79.1	Confident	66.8	Low	13 Å²	13	46.8 Å²	46.8	5%	0.049	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-19.9	-167.9	56.5	-98.5	0	0	0	115.2	Y975 S977 R981 Q982 Y983 L1065 K1066 F1069 F1084	Y975-W979 AromaticContact CD1-NE1 3.34Å; Y975-W979 VanDerWaalsContact CD1-NE1 3.34Å; Y975-W979 HydrophobicContact CE1-CZ2 4.24Å; Y975-W979 AromaticContact CE1-NE1 3.66Å; Y975-W979 AromaticContact CG-NE1 3.6Å; S977-W979 VanDerWaalsContact O-CD1 3.27Å; S977-W979 PolarHBondContact O-N 3.36Å; S977-W979 VanDerWaalsContact O-N 3.12Å; W979-R981 VanDerWaalsContact C-N 3.32Å; W979-Q982 WeakPolarHBondContact O-CG 3.47Å; W979-Q982 PolarHBondContact O-NE2 3.34Å; W979-Y983 HydrophobicContact CE3-CE2 4.26Å; W979-Y983 WeakPolarHBondContact O-CD2 3.34Å; W979-Y983 WeakPolarHBondContact O-CE2 3.27Å; W979-L1065 HydrophobicContact CH2-CD2 3.88Å; W979-L1065 HydrophobicContact CH2-CG 3.79Å; W979-L1065 HydrophobicContact CZ2-CD2 3.67Å; W979-L1065 HydrophobicContact CZ2-CG 4.1Å; W979-K1066 HydrophobicContact CH2-CG 4.26Å; W979-K1066 HydrophobicContact CZ2-CG 4.24Å; W979-F1069 AromaticContact CH2-CD2 3.98Å; W979-F1069 HydrophobicContact CH2-CD2 3.98Å; W979-F1069 HydrophobicContact CZ3-CB 4.02Å; W979-F1069 AromaticContact CZ3-CD2 3.61Å; W979-F1069 HydrophobicContact CZ3-CD2 3.61Å; W979-F1069 HydrophobicContact CZ3-CE2 4.34Å; W979-F1069 HydrophobicContact CZ3-CG 4.01Å; W979-F1084 HydrophobicContact CB-CD1 3.87Å; W979-F1084 HydrophobicContact CB-CE1 3.66Å; W979-F1084 AromaticContact CD1-CD1 3.67Å; W979-F1084 AromaticContact CD2-CD1 3.37Å; W979-F1084 HydrophobicContact CD2-CD1 3.37Å; W979-F1084 AromaticContact CD2-CE1 3.49Å; W979-F1084 HydrophobicContact CD2-CE1 3.49Å; W979-F1084 VanDerWaalsContact CD2-CE1 3.49Å; W979-F1084 AromaticContact CE2-CD1 3.72Å; W979-F1084 AromaticContact CE3-CD1 3.86Å; W979-F1084 HydrophobicContact CE3-CD1 3.86Å; W979-F1084 AromaticContact CE3-CE1 3.54Å; W979-F1084 HydrophobicContact CE3-CE1 3.54Å; W979-F1084 AromaticContact CG-CD1 3.35Å; W979-F1084 HydrophobicContact CG-CD1 3.35Å; W979-F1084 AromaticContact CG-CE1 3.55Å; W979-F1084 HydrophobicContact CG-CE1 3.55Å; W979-F1084 HydrophobicContact CZ2-CD1 4.43Å; W979-F1084 HydrophobicContact CZ3-CE1 4.31Å; W979-F1084 AromaticContact NE1-CD1 3.88Å
980	W	80.1	Confident	64.6	Low	1 Å²	1	51.6 Å²	51.6	0%	0.004	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-26.7	177	55.1	91	0	0	0	112.4	Y975 S978 Q982 Y983 T984 F1008 D1026 L1037 F1069	Y975-W980 AromaticContact CD2-CH2 3.85Å; Y975-W980 HydrophobicContact CD2-CH2 3.85Å; Y975-W980 AromaticContact CD2-CZ3 3.43Å; Y975-W980 HydrophobicContact CD2-CZ3 3.43Å; Y975-W980 VanDerWaalsContact CD2-CZ3 3.43Å; Y975-W980 HydrophobicContact CE2-CZ3 4Å; Y975-W980 AromaticContact CG-CZ3 3.93Å; Y975-W980 HydrophobicContact CG-CZ3 3.93Å; S978-W980 PolarHBondContact O-N 3.4Å; W980-Q982 VanDerWaalsContact C-N 3.26Å; W980-Q982 PolarHBondContact O-N 3.13Å; W980-Y983 WeakPolarHBondContact O-CA 3.43Å; W980-Y983 WeakPolarHBondContact O-CB 3.44Å; W980-Y983 PolarHBondContact O-N 3.24Å; W980-T984 PolarHBondContact O-N 3.38Å; W980-F1008 HydrophobicContact CB-CZ 4.47Å; W980-F1008 AromaticContact CD1-CE1 3.66Å; W980-F1008 HydrophobicContact CG-CE1 4.2Å; W980-F1008 HydrophobicContact CG-CZ 4.28Å; W980-D1026 PolarHBondContact NE1-OD2 3.38Å; W980-L1037 HydrophobicContact CD2-CD1 3.61Å; W980-L1037 HydrophobicContact CD2-CD2 4.29Å; W980-L1037 HydrophobicContact CD2-CG 4.11Å; W980-L1037 HydrophobicContact CE3-CD1 3.58Å; W980-L1037 HydrophobicContact CE3-CG 4.3Å; W980-L1037 HydrophobicContact CG-CD1 4.29Å; W980-L1037 HydrophobicContact CH2-CD1 3.61Å; W980-L1037 HydrophobicContact CH2-CD2 4.35Å; W980-L1037 HydrophobicContact CH2-CG 3.48Å; W980-L1037 VanDerWaalsContact CH2-CG 3.48Å; W980-L1037 HydrophobicContact CZ2-CD1 3.78Å; W980-L1037 HydrophobicContact CZ2-CD2 3.74Å; W980-L1037 HydrophobicContact CZ2-CG 3.37Å; W980-L1037 HydrophobicContact CZ3-CD1 3.58Å; W980-L1037 HydrophobicContact CZ3-CG 4.02Å; W980-F1069 HydrophobicContact CB-CE2 3.86Å; W980-F1069 HydrophobicContact CB-CZ 4.03Å
981	R	74.9	Confident	62.3	Low	5 Å²	5	56.2 Å²	56.2	2%	0.019	32%	0.324	C	S	.	.	H	α-helix	trans	-58.6	-35.5	-171.6	-74.1	-171.6	-169.8	146.1	11.8	113.7	S978 W979 Y983 T984 T985 F1004 D1026 R1028 D1030 S1033	S978-R981 VanDerWaalsContact CB-NH1 3.34Å; S978-R981 WeakPolarHBondContact O-CB 3.38Å; S978-R981 PolarHBondContact O-N 3.41Å; S978-R981 VanDerWaalsContact O-N 3.17Å; S978-R981 PolarHBondContact OG-NH1 3.31Å; W979-R981 VanDerWaalsContact C-N 3.32Å; R981-Y983 PolarHBondContact O-N 3.48Å; R981-T984 WeakPolarHBondContact CA-OG1 3.49Å; R981-T984 PolarHBondContact O-N 3.07Å; R981-T984 PolarHBondContact O-OG1 3.08Å; R981-T985 PolarHBondContact O-N 3.14Å; R981-F1004 HydrophobicContact CB-CD1 3.51Å; R981-F1004 HydrophobicContact CB-CE1 3.75Å; R981-F1004 HydrophobicContact CB-CG 4.25Å; R981-F1004 HydrophobicContact CG-CD1 4.06Å; R981-F1004 HydrophobicContact CG-CG 4.33Å; R981-D1026 IonicContact CZ-OD1 3.86Å; R981-D1026 IonicContact CZ-OD2 3.25Å; R981-D1026 VanDerWaalsContact CZ-OD2 3.26Å; R981-D1026 IonicContact NE-OD2 2.72Å; R981-D1026 PolarHBondContact NE-OD2 3.13Å; R981-D1026 VanDerWaalsContact NH2-CG 3.29Å; R981-D1026 IonicContact NH2-OD1 3.51Å; R981-D1026 PolarHBondContact NH2-OD1 3.27Å; R981-D1026 IonicContact NH2-OD2 3.49Å; R981-D1026 PolarHBondContact NH2-OD2 2.75Å; R981-R1028 PolarHBondContact NH1-O 3.27Å; R981-R1028 PolarHBondContact NH2-O 3.46Å; R981-D1030 PolarHBondContact NH1-O 3.09Å; R981-S1033 PolarHBondContact NH1-OG 2.89Å; R981-S1033 VanDerWaalsContact NH1-OG 3.12Å; R981-S1033 PolarHBondContact NH2-OG 2.86Å
982	Q	66.8	Low	59.8	Low	93 Å²	93	61.8 Å²	61.8	44%	0.435	35%	0.354	S	S	.	.	H	α-helix	trans	-65.3	-22.8	175.7	70.8	-169	-18.6	0	0	113.1	W979 W980 T985	W979-Q982 WeakPolarHBondContact O-CG 3.47Å; W979-Q982 PolarHBondContact O-NE2 3.34Å; W980-Q982 VanDerWaalsContact C-N 3.26Å; W980-Q982 PolarHBondContact O-N 3.13Å; Q982-T985 PolarHBondContact O-OG1 2.92Å
983	Y	67	Low	57.7	Low	89 Å²	89	67.6 Å²	67.6	35%	0.349	39%	0.391	S	S	.	.	H	α-helix	trans	-94.9	-12	178.4	-52.8	-72.1	0	0	0	112.5	W979 W980 R981 F1069	W979-Y983 HydrophobicContact CE3-CE2 4.26Å; W979-Y983 WeakPolarHBondContact O-CD2 3.34Å; W979-Y983 WeakPolarHBondContact O-CE2 3.27Å; W980-Y983 WeakPolarHBondContact O-CA 3.43Å; W980-Y983 WeakPolarHBondContact O-CB 3.44Å; W980-Y983 PolarHBondContact O-N 3.24Å; R981-Y983 PolarHBondContact O-N 3.48Å; Y983-F1069 VanDerWaalsContact CB-CE1 3.47Å; Y983-F1069 AromaticContact CD2-CD1 3.89Å; Y983-F1069 HydrophobicContact CD2-CD1 3.89Å; Y983-F1069 HydrophobicContact CD2-CE1 4.35Å; Y983-F1069 HydrophobicContact CD2-CG 4.36Å; Y983-F1069 AromaticContact CG-CD1 3.85Å; Y983-F1069 HydrophobicContact CG-CD1 3.85Å; Y983-F1069 HydrophobicContact CG-CE1 4.2Å
984	T	64.2	Low	55.3	Low	13 Å²	13	71.6 Å²	71.6	8%	0.08	42%	0.419	C	S	.	.	H	α-helix	trans	-102.1	-9.7	179.2	60.8	0	0	0	0	113.9	W980 R981 F1008 F1069	W980-T984 PolarHBondContact O-N 3.38Å; R981-T984 WeakPolarHBondContact CA-OG1 3.49Å; R981-T984 PolarHBondContact O-N 3.07Å; R981-T984 PolarHBondContact O-OG1 3.08Å; T984-F1008 HydrophobicContact CG2-CB 4.15Å; T984-F1008 HydrophobicContact CG2-CD1 3.99Å; T984-F1008 HydrophobicContact CG2-CG 4.04Å; T984-F1069 HydrophobicContact CG2-CZ 4.24Å
985	T	54.8	Low	52.8	Low	51 Å²	51	76.5 Å²	76.5	31%	0.313	44%	0.439	S	S	.	.	S	Bend	trans	-70.1	132.6	173.2	38.1	0	0	0	0	112.3	R981 Q982 G987 F1004	R981-T985 PolarHBondContact O-N 3.14Å; Q982-T985 PolarHBondContact O-OG1 2.92Å; T985-G987 PolarHBondContact O-N 2.84Å; T985-F1004 HydrophobicContact CG2-CD1 3.37Å; T985-F1004 HydrophobicContact CG2-CE1 3.33Å; T985-F1004 HydrophobicContact CG2-CG 4.38Å; T985-F1004 HydrophobicContact CG2-CZ 4.28Å
986	E	46.4	Very low	50.2	Low	186 Å²	186	83.8 Å²	83.8	87%	0.869	48%	0.484	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	7.9	-177.3	-66.5	-172.6	148.7	0	0	115.8
987	G	38.6	Very low	48.2	Very low	55 Å²	55	87 Å²	87	57%	0.567	50%	0.501	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116.3	10.5	-158.5	0	0	0	0	0	118.5	T985 V989	T985-G987 PolarHBondContact O-N 2.84Å; G987-V989 PolarHBondContact O-N 3.39Å
988	F	28	Very low	46	Very low	169 Å²	169	89 Å²	89	74%	0.741	52%	0.515	S	S	*	.			trans	-77.5	63	176.5	-116.5	-84.7	0	0	0	111.9
989	V	30	Very low	43.6	Very low	117 Å²	117	97.4 Å²	97.4	71%	0.709	55%	0.549	S	S	*	.			trans	-89.1	120.1	167.5	179.7	0	0	0	0	108.5	G987	G987-V989 PolarHBondContact O-N 3.39Å
990	S	28.4	Very low	41.1	Very low	102 Å²	102	107.3 Å²	107.3	71%	0.713	59%	0.588	S	S	*	*			trans	62.2	102.3	167.3	60.6	0	0	0	0	117.6	D992	S990-D992 PolarHBondContact O-N 3.4Å
991	S	26.4	Very low	39	Very low	112 Å²	112	110.7 Å²	110.7	78%	0.783	62%	0.623	S	S	*	*			trans	-62.6	91.8	159.8	51.3	0	0	0	0	111
992	D	28.2	Very low	37.3	Very low	118 Å²	118	115.3 Å²	115.3	63%	0.631	65%	0.649	S	S	*	*			trans	-129.9	106	151.6	-118.9	-23.5	0	0	0	107.1	S990 S994	S990-D992 PolarHBondContact O-N 3.4Å; D992-S994 PolarHBondContact O-N 3.2Å
993	P	34.7	Very low	36.3	Very low	135 Å²	135	118.3 Å²	118.3	88%	0.877	67%	0.668	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.6	16.5	-168.5	29	-32.9	0	0	0	114.3
994	S	32	Very low	35.5	Very low	85 Å²	85	116.4 Å²	116.4	59%	0.594	66%	0.661	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.9	-1.9	-178.7	59.5	0	0	0	0	114.6	D992	D992-S994 PolarHBondContact O-N 3.2Å
995	H	27.3	Very low	35	Very low	144 Å²	144	118 Å²	118	67%	0.667	67%	0.673	S	S	*	*			trans	-111.3	101.2	178.7	-72.1	-65.3	0	0	0	111.5	V997	H995-V997 HydrophobicContact CB-CG2 4Å; H995-V997 PolarHBondContact O-N 2.94Å
996	T	26.5	Very low	35.4	Very low	153 Å²	153	120 Å²	120	94%	0.939	68%	0.679	S	S	*	*			trans	-64.5	80.7	162.1	19	0	0	0	0	108.4	S998	T996-S998 PolarHBondContact O-N 3.36Å
997	V	27.8	Very low	36.1	Very low	121 Å²	121	114.5 Å²	114.5	73%	0.733	66%	0.655	S	S	*	*			trans	-78.9	119.8	176.4	-178.7	0	0	0	0	108.4	H995	H995-V997 HydrophobicContact CB-CG2 4Å; H995-V997 PolarHBondContact O-N 2.94Å
998	S	27.2	Very low	37.7	Very low	84 Å²	84	112.3 Å²	112.3	59%	0.587	63%	0.63	S	S	*	*			trans	-56.3	130.6	177.3	48.9	0	0	0	0	112.7	T996 Y1000	T996-S998 PolarHBondContact O-N 3.36Å; S998-Y1000 PolarHBondContact O-N 3.01Å
999	F	26.7	Very low	39.7	Very low	199 Å²	199	104.9 Å²	104.9	87%	0.873	60%	0.599	S	S	*	*			trans	-34.8	111.9	173.3	-71.8	-98.7	0	0	0	114.6
1000	Y	27.4	Very low	41.7	Very low	221 Å²	221	100.3 Å²	100.3	87%	0.867	57%	0.569	S	S	*	*			trans	-128.7	114.2	169.1	-96.7	-84	0	0	0	109.6	S998	S998-Y1000 PolarHBondContact O-N 3.01Å
1001	G	36	Very low	43.4	Very low	72 Å²	72	96.8 Å²	96.8	74%	0.742	54%	0.542	S	S	*	.			trans	85.9	82	154.9	0	0	0	0	0	118.4	N1003	G1001-N1003 PolarHBondContact O-N 3.46Å
1002	D	40	Very low	45.4	Very low	103 Å²	103	91.4 Å²	91.4	55%	0.551	51%	0.505	S	S	*	.			trans	-77.3	52.1	-173.7	-61.2	-36	0	0	0	116.3	I1031	D1002-I1031 HydrophobicContact CB-CD1 3.82Å; D1002-I1031 VanDerWaalsContact CG-CD1 3.41Å
1003	N	45	Very low	47.2	Very low	156 Å²	156	90.6 Å²	90.6	83%	0.834	50%	0.501	S	S	*	.			trans	-107.6	99.7	174.3	-81.9	-5.9	0	0	0	111.4	G1001	G1001-N1003 PolarHBondContact O-N 3.46Å
1004	F	49.1	Very low	48.7	Very low	48 Å²	48	86.2 Å²	86.2	21%	0.211	47%	0.473	C	S	.	.			trans	-82.4	137.9	170.4	-61.1	-85.4	0	0	0	110.4	R981 T985 E1006 P1029 I1031	R981-F1004 HydrophobicContact CB-CD1 3.51Å; R981-F1004 HydrophobicContact CB-CE1 3.75Å; R981-F1004 HydrophobicContact CB-CG 4.25Å; R981-F1004 HydrophobicContact CG-CD1 4.06Å; R981-F1004 HydrophobicContact CG-CG 4.33Å; T985-F1004 HydrophobicContact CG2-CD1 3.37Å; T985-F1004 HydrophobicContact CG2-CE1 3.33Å; T985-F1004 HydrophobicContact CG2-CG 4.38Å; T985-F1004 HydrophobicContact CG2-CZ 4.28Å; F1004-E1006 PolarHBondContact O-N 3.22Å; F1004-P1029 HydrophobicContact CB-CB 4.49Å; F1004-I1031 HydrophobicContact CD2-CG1 4.42Å; F1004-I1031 HydrophobicContact CE2-CD1 4.26Å; F1004-I1031 HydrophobicContact CE2-CG1 3.47Å; F1004-I1031 VanDerWaalsContact CE2-CG1 3.47Å; F1004-I1031 HydrophobicContact CZ-CG1 4.15Å
1005	S	55.2	Low	50.3	Low	48 Å²	48	91 Å²	91	34%	0.336	48%	0.478	S	S	.	.			trans	-63.6	123.3	175.6	-67.7	0	0	0	0	111.5	L1007	S1005-L1007 PolarHBondContact O-N 3.27Å
1006	E	63	Low	52.1	Low	92 Å²	92	92.4 Å²	92.4	43%	0.43	49%	0.485	S	S	.	.	S	Bend	trans	-64	-25.8	176.5	-168.7	-170.8	151	0	0	112.2	F1004 R1025 D1026	F1004-E1006 PolarHBondContact O-N 3.22Å; E1006-R1025 HydrophobicContact CG-CG 4.2Å; E1006-R1025 CarbonylContact O-C 3.6Å; E1006-R1025 WeakPolarHBondContact O-CA 3.28Å; E1006-R1025 IonicContact OE1-NH1 3.66Å; E1006-R1025 PolarHBondContact OE1-NH1 2.63Å; E1006-D1026 PolarHBondContact O-N 3.38Å
1007	L	61.7	Low	54.1	Low	71 Å²	71	87.7 Å²	87.7	37%	0.372	45%	0.454	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	138.7	-175.7	-73	155.6	0	0	0	110.9	S1005 V1023 F1024 R1025	S1005-L1007 PolarHBondContact O-N 3.27Å; L1007-V1023 HydrophobicContact CD2-CG1 3.78Å; L1007-F1024 WeakPolarHBondContact CA-O 3.45Å; L1007-R1025 HydrophobicContact CD2-CB 3.77Å; L1007-R1025 HydrophobicContact CD2-CG 3.93Å; L1007-R1025 HydrophobicContact CG-CG 4.42Å
1008	F	71.3	Confident	56.2	Low	9 Å²	9	83.4 Å²	83.4	4%	0.039	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	161.3	166.9	63.3	-87.8	0	0	0	110.4	W980 T984 F1010 F1024 L1037 L1065 F1069	W980-F1008 HydrophobicContact CB-CZ 4.47Å; W980-F1008 AromaticContact CD1-CE1 3.66Å; W980-F1008 HydrophobicContact CG-CE1 4.2Å; W980-F1008 HydrophobicContact CG-CZ 4.28Å; T984-F1008 HydrophobicContact CG2-CB 4.15Å; T984-F1008 HydrophobicContact CG2-CD1 3.99Å; T984-F1008 HydrophobicContact CG2-CG 4.04Å; F1008-F1010 HydrophobicContact CD2-CE2 4.07Å; F1008-F1010 AromaticContact CD2-CZ 3.91Å; F1008-F1010 HydrophobicContact CD2-CZ 3.91Å; F1008-F1010 AromaticContact CE2-CE2 3.73Å; F1008-F1010 HydrophobicContact CE2-CE2 3.73Å; F1008-F1010 AromaticContact CE2-CZ 3.66Å; F1008-F1010 HydrophobicContact CE2-CZ 3.66Å; F1008-F1024 HydrophobicContact CD1-CB 4.26Å; F1008-F1024 HydrophobicContact CD2-CB 3.96Å; F1008-F1024 HydrophobicContact CE1-CB 3.83Å; F1008-F1024 HydrophobicContact CE2-CB 3.47Å; F1008-F1024 VanDerWaalsContact CE2-CB 3.47Å; F1008-F1024 HydrophobicContact CE2-CD2 4.08Å; F1008-F1024 AromaticContact CE2-CG 3.85Å; F1008-F1024 HydrophobicContact CE2-CG 3.85Å; F1008-F1024 HydrophobicContact CG-CB 4.33Å; F1008-F1024 HydrophobicContact CZ-CB 3.41Å; F1008-F1024 VanDerWaalsContact CZ-CB 3.41Å; F1008-F1024 AromaticContact CZ-CG 3.99Å; F1008-F1024 HydrophobicContact CZ-CG 3.99Å; F1008-F1024 PolarHBondContact N-O 3.03Å; F1008-F1024 PolarHBondContact O-N 3.02Å; F1008-F1024 VanDerWaalsContact O-O 3.11Å; F1008-L1037 HydrophobicContact CE1-CD2 3.55Å; F1008-L1037 HydrophobicContact CZ-CD1 4.05Å; F1008-L1037 HydrophobicContact CZ-CD2 3.77Å; F1008-L1065 HydrophobicContact CE2-CD1 3.74Å; F1008-L1065 HydrophobicContact CZ-CD1 3.91Å; F1008-F1069 HydrophobicContact CD2-CE2 4.43Å; F1008-F1069 HydrophobicContact CD2-CZ 4.16Å; F1008-F1069 AromaticContact CE2-CE2 3.8Å; F1008-F1069 HydrophobicContact CE2-CE2 3.8Å; F1008-F1069 AromaticContact CE2-CZ 3.95Å; F1008-F1069 HydrophobicContact CE2-CZ 3.95Å; F1008-F1069 HydrophobicContact CZ-CE2 4.27Å; F1008-F1069 HydrophobicContact CZ-CZ 4.48Å
1009	S	70.4	Confident	58.3	Low	12 Å²	12	79.4 Å²	79.4	8%	0.084	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	160.9	-172.2	52.6	0	0	0	0	112	Y681 H1022 T1202	Y681-S1009 WeakPolarHBondContact OH-CB 3.43Å; Y681-S1009 PolarHBondContact OH-OG 2.94Å; Y681-S1009 VanDerWaalsContact OH-OG 3.04Å; S1009-H1022 WeakPolarHBondContact CA-O 3.44Å; S1009-H1022 WeakPolarHBondContact CB-O 3.27Å; S1009-T1202 PolarHBondContact OG-OG1 3.41Å
1010	F	71.6	Confident	60.9	Low	22 Å²	22	70.7 Å²	70.7	10%	0.096	36%	0.358	C	S	.	.			trans	-124.4	142.4	176.5	-58.8	-67.6	0	0	0	110.7	Y681 F1008 H1022 F1024 Y1064 L1065 H1068 F1069	Y681-F1010 WeakPolarHBondContact CD2-O 3.31Å; Y681-F1010 WeakPolarHBondContact CE2-O 3.23Å; F1008-F1010 HydrophobicContact CD2-CE2 4.07Å; F1008-F1010 AromaticContact CD2-CZ 3.91Å; F1008-F1010 HydrophobicContact CD2-CZ 3.91Å; F1008-F1010 AromaticContact CE2-CE2 3.73Å; F1008-F1010 HydrophobicContact CE2-CE2 3.73Å; F1008-F1010 AromaticContact CE2-CZ 3.66Å; F1008-F1010 HydrophobicContact CE2-CZ 3.66Å; F1010-H1022 PolarHBondContact N-O 3.36Å; F1010-H1022 VanDerWaalsContact N-O 3.17Å; F1010-F1024 AromaticContact CD2-CD2 3.78Å; F1010-F1024 HydrophobicContact CD2-CD2 3.78Å; F1010-F1024 AromaticContact CD2-CE2 3.65Å; F1010-F1024 HydrophobicContact CD2-CE2 3.65Å; F1010-F1024 AromaticContact CE2-CD2 3.56Å; F1010-F1024 HydrophobicContact CE2-CD2 3.56Å; F1010-F1024 AromaticContact CE2-CE2 3.55Å; F1010-F1024 HydrophobicContact CE2-CE2 3.55Å; F1010-F1024 HydrophobicContact CE2-CG 4.5Å; F1010-F1024 HydrophobicContact CE2-CZ 4.48Å; F1010-Y1064 HydrophobicContact CB-CE1 4.3Å; F1010-Y1064 AromaticContact CD2-CE1 3.81Å; F1010-Y1064 HydrophobicContact CD2-CE1 3.81Å; F1010-Y1064 HydrophobicContact CG-CE1 4.35Å; F1010-L1065 HydrophobicContact CE2-CD1 3.77Å; F1010-L1065 HydrophobicContact CZ-CD1 3.96Å; F1010-H1068 HydrophobicContact CD1-CB 3.68Å; F1010-H1068 AromaticContact CD1-CD2 3.51Å; F1010-H1068 AromaticContact CD1-CG 3.73Å; F1010-H1068 HydrophobicContact CE1-CB 3.49Å; F1010-H1068 VanDerWaalsContact CE1-CB 3.49Å; F1010-H1068 HydrophobicContact CE2-CB 4.42Å; F1010-H1068 HydrophobicContact CG-CB 4.23Å; F1010-H1068 AromaticContact CG-CD2 3.77Å; F1010-H1068 AromaticContact CG-CG 3.95Å; F1010-H1068 HydrophobicContact CZ-CB 3.87Å; F1010-F1069 HydrophobicContact CE1-CE2 4.17Å; F1010-F1069 HydrophobicContact CE1-CZ 4.26Å; F1010-F1069 HydrophobicContact CZ-CD2 4.03Å; F1010-F1069 AromaticContact CZ-CE2 3.54Å; F1010-F1069 HydrophobicContact CZ-CE2 3.54Å; F1010-F1069 AromaticContact CZ-CZ 3.98Å; F1010-F1069 HydrophobicContact CZ-CZ 3.98Å
1011	L	64.9	Low	63.3	Low	27 Å²	27	60.1 Å²	60.1	14%	0.141	32%	0.317	C	S	.	.			trans	-73.5	126.6	173.3	-66.2	170.2	0	0	0	109.1	L678 Y681 D1013 T1202 L1206	L678-L1011 HydrophobicContact CD2-CD1 4.04Å; L678-L1011 HydrophobicContact CD2-CD2 3.7Å; L678-L1011 HydrophobicContact CG-CD1 4.46Å; L678-L1011 HydrophobicContact CG-CD2 4.46Å; Y681-L1011 VanDerWaalsContact CB-CD2 3.43Å; Y681-L1011 HydrophobicContact CD1-CD2 4.14Å; Y681-L1011 HydrophobicContact CD2-CD2 3.86Å; Y681-L1011 HydrophobicContact CG-CD2 3.53Å; L1011-D1013 PolarHBondContact O-N 3.36Å; L1011-T1202 HydrophobicContact CD1-CG2 4.37Å; L1011-T1202 HydrophobicContact CD2-CG2 3.89Å; L1011-T1202 HydrophobicContact CG-CG2 3.78Å; L1011-L1206 HydrophobicContact CD1-CD1 4.15Å
1012	P	67	Low	64.9	Low	0 Å²	0	57 Å²	57	0%	0	28%	0.283	C	S	.	.			trans	-62.2	132.9	169.7	26.1	-35	0	0	0	111	S677 E680 S1014 N1017	S677-P1012 WeakPolarHBondContact CB-O 3.36Å; S677-P1012 PolarHBondContact OG-O 2.78Å; E680-P1012 HydrophobicContact CB-CG 3.95Å; P1012-S1014 VanDerWaalsContact C-N 3.27Å; P1012-S1014 PolarHBondContact O-N 2.89Å; P1012-N1017 HydrophobicContact CB-CB 4.21Å
1013	D	66.8	Low	66.3	Low	101 Å²	101	54 Å²	54	54%	0.54	27%	0.269	S	S	.	.	S	Bend	trans	-72.9	-20.9	176.4	-57.6	-48.1	0	0	0	112.8	L1011	L1011-D1013 PolarHBondContact O-N 3.36Å
1014	S	66.9	Low	67.9	Low	42 Å²	42	46.6 Å²	46.6	29%	0.294	23%	0.229	S	C	.	.	S	Bend	trans	-156.1	164.3	-176.7	76.1	0	0	0	0	112.7	P1012 E1016 N1017	P1012-S1014 VanDerWaalsContact C-N 3.27Å; P1012-S1014 PolarHBondContact O-N 2.89Å; S1014-E1016 PolarHBondContact O-N 3.15Å; S1014-E1016 PolarHBondContact OG-N 3.31Å; S1014-N1017 PolarHBondContact O-N 3.22Å; S1014-N1017 VanDerWaalsContact O-N 3.09Å
1015	R	63.7	Low	69	Low	185 Å²	185	49.3 Å²	49.3	70%	0.698	24%	0.238	S	C	*	.	G	3₁₀ helix	trans	-58.6	-30.9	175.3	-172.7	174.3	175.3	176.9	0.7	113.9	E680 N1017 R1018	E680-R1015 WeakPolarHBondContact OE2-CA 3.48Å; E680-R1015 VanDerWaalsContact OE2-CB 3.27Å; E680-R1015 WeakPolarHBondContact OE2-CB 3.33Å; E680-R1015 PolarHBondContact OE2-N 2.58Å; R1015-N1017 PolarHBondContact O-N 2.77Å; R1015-R1018 WeakPolarHBondContact O-CB 3.1Å; R1015-R1018 WeakPolarHBondContact O-CG 2.94Å; R1015-R1018 PolarHBondContact O-N 2.82Å
1016	E	66.1	Low	69.9	Low	175 Å²	175	47.1 Å²	47.1	82%	0.818	22%	0.222	S	C	*	.	G	3₁₀ helix	trans	-70.7	-23.3	179.2	-58.8	-175.6	-176.1	0	0	112.4	S1014	S1014-E1016 PolarHBondContact O-N 3.15Å; S1014-E1016 PolarHBondContact OG-N 3.31Å
1017	N	69.1	Low	69.8	Low	53 Å²	53	45.4 Å²	45.4	28%	0.283	22%	0.216	S	C	.	.	G	3₁₀ helix	trans	-87.7	-1	177.3	-65.1	-24.2	0	0	0	112.9	P1012 S1014 R1015 G1019 F1020 H1022	P1012-N1017 HydrophobicContact CB-CB 4.21Å; S1014-N1017 PolarHBondContact O-N 3.22Å; S1014-N1017 VanDerWaalsContact O-N 3.09Å; R1015-N1017 PolarHBondContact O-N 2.77Å; N1017-G1019 PolarHBondContact O-N 3.5Å; N1017-F1020 WeakPolarHBondContact O-CB 3.31Å; N1017-F1020 PolarHBondContact O-N 3.04Å; N1017-H1022 PolarHBondContact O-NE2 3.11Å
1018	R	71.3	Confident	69.8	Low	31 Å²	31	47.7 Å²	47.7	12%	0.117	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62	137.3	173.4	-66.3	-168.7	-166.1	173.6	6.4	110.4	E680 L683 A684 R1015 F1020 H1022 S1045	E680-R1018 IonicContact OE1-CZ 2.73Å; E680-R1018 IonicContact OE1-NH2 3.26Å; E680-R1018 PolarHBondContact OE1-NH2 3.05Å; E680-R1018 IonicContact OE2-CZ 3.65Å; E680-R1018 IonicContact OE2-NE 3.51Å; E680-R1018 PolarHBondContact OE2-NE 3.47Å; E680-R1018 IonicContact OE2-NH2 3.54Å; E680-R1018 PolarHBondContact OE2-NH2 3.44Å; L683-R1018 VanDerWaalsContact CB-NH1 3.32Å; A684-R1018 HydrophobicContact CB-CB 4.16Å; A684-R1018 HydrophobicContact CB-CG 4.04Å; R1015-R1018 WeakPolarHBondContact O-CB 3.1Å; R1015-R1018 WeakPolarHBondContact O-CG 2.94Å; R1015-R1018 PolarHBondContact O-N 2.82Å; R1018-F1020 VanDerWaalsContact C-N 3.28Å; R1018-F1020 PolarHBondContact O-N 2.9Å; R1018-H1022 WeakPolarHBondContact CA-NE2 3.25Å; R1018-S1045 WeakPolarHBondContact O-CB 3.35Å; R1018-S1045 PolarHBondContact O-OG 3.08Å
1019	G	70.3	Confident	69.5	Low	0 Å²	0	49.6 Å²	49.6	0%	0	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	80.4	-7.1	-169.4	0	0	0	0	0	115.9	N1017 H1022 L1041 F1042 S1045	N1017-G1019 PolarHBondContact O-N 3.5Å; G1019-H1022 PolarHBondContact N-CD2 2.89Å; G1019-H1022 PolarHBondContact N-NE2 3.32Å; G1019-L1041 CarbonylContact O-C 3.59Å; G1019-L1041 WeakPolarHBondContact O-CA 3.45Å; G1019-F1042 VanDerWaalsContact CA-CZ 3.44Å; G1019-F1042 WeakPolarHBondContact CA-O 3.14Å; G1019-F1042 PolarHBondContact O-N 2.78Å; G1019-S1045 WeakPolarHBondContact O-CB 3.43Å
1020	F	81.5	Confident	69	Low	16 Å²	16	52.4 Å²	52.4	7%	0.07	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	108.1	179.4	-167.8	-91.1	0	0	0	112.4	N1017 R1018 H1022 L1041 S1045 W1049 L1057 A1060 V1061 Y1064	N1017-F1020 WeakPolarHBondContact O-CB 3.31Å; N1017-F1020 PolarHBondContact O-N 3.04Å; R1018-F1020 VanDerWaalsContact C-N 3.28Å; R1018-F1020 PolarHBondContact O-N 2.9Å; F1020-H1022 VanDerWaalsContact C-N 3.34Å; F1020-H1022 PolarHBondContact N-CD2 3.45Å; F1020-H1022 PolarHBondContact N-NE2 3.32Å; F1020-H1022 PolarHBondContact O-N 3.32Å; F1020-L1041 HydrophobicContact CD2-CD2 3.31Å; F1020-L1041 HydrophobicContact CD2-CG 3.9Å; F1020-L1041 HydrophobicContact CE2-CD2 3.63Å; F1020-L1041 HydrophobicContact CE2-CG 4.34Å; F1020-L1041 HydrophobicContact CG-CD2 4.36Å; F1020-S1045 PolarHBondContact N-OG 3.24Å; F1020-W1049 AromaticContact CD2-CD1 3.82Å; F1020-W1049 AromaticContact CD2-NE1 3.38Å; F1020-W1049 AromaticContact CE2-CD1 3.91Å; F1020-W1049 HydrophobicContact CE2-CD2 4.29Å; F1020-W1049 AromaticContact CE2-CE2 3.56Å; F1020-W1049 HydrophobicContact CE2-CG 4.49Å; F1020-W1049 AromaticContact CE2-CZ2 3.88Å; F1020-W1049 HydrophobicContact CE2-CZ2 3.88Å; F1020-W1049 AromaticContact CE2-NE1 3.3Å; F1020-W1049 VanDerWaalsContact CE2-NE1 3.3Å; F1020-W1049 HydrophobicContact CZ-CZ2 4.41Å; F1020-L1057 HydrophobicContact CE2-CD1 4.33Å; F1020-A1060 HydrophobicContact CZ-CB 4.19Å; F1020-V1061 HydrophobicContact CZ-CG2 4.09Å; F1020-Y1064 HydrophobicContact CD1-CD2 4.22Å; F1020-Y1064 HydrophobicContact CD1-CE2 4.43Å; F1020-Y1064 HydrophobicContact CD1-CG 4.33Å; F1020-Y1064 HydrophobicContact CE1-CD1 4.38Å; F1020-Y1064 HydrophobicContact CE1-CD2 4Å; F1020-Y1064 AromaticContact CE1-CG 3.85Å; F1020-Y1064 HydrophobicContact CE1-CG 3.85Å
1021	C	78.2	Confident	68.2	Low	0 Å²	0	55.3 Å²	55.3	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	55.4	36.3	167.2	-52.9	0	0	0	0	116.6	V1023 F1024 T1039 Q1040 Y1064	C1021-V1023 PolarHBondContact O-N 3.18Å; C1021-F1024 HydrophobicContact CB-CE2 3.73Å; C1021-F1024 HydrophobicContact CB-CZ 3.74Å; C1021-F1024 WeakPolarHBondContact O-CE2 3.27Å; C1021-T1039 WeakPolarHBondContact CA-OG1 2.96Å; C1021-T1039 HydrophobicContact CB-CG2 4.4Å; C1021-Q1040 PolarHBondContact N-O 3.22Å; C1021-Y1064 HydrophobicContact CB-CD1 3.74Å; C1021-Y1064 HydrophobicContact CB-CE1 3.74Å
1022	H	69.4	Low	67.8	Low	5 Å²	5	61.5 Å²	61.5	2%	0.023	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.1	-38.7	-176.6	-72.6	-80.6	0	0	0	113.6	A684 S1009 F1010 N1017 R1018 G1019 F1020 F1042	A684-H1022 WeakPolarHBondContact CB-CE1 3.5Å; S1009-H1022 WeakPolarHBondContact CA-O 3.44Å; S1009-H1022 WeakPolarHBondContact CB-O 3.27Å; F1010-H1022 PolarHBondContact N-O 3.36Å; F1010-H1022 VanDerWaalsContact N-O 3.17Å; N1017-H1022 PolarHBondContact O-NE2 3.11Å; R1018-H1022 WeakPolarHBondContact CA-NE2 3.25Å; G1019-H1022 PolarHBondContact N-CD2 2.89Å; G1019-H1022 PolarHBondContact N-NE2 3.32Å; F1020-H1022 VanDerWaalsContact C-N 3.34Å; F1020-H1022 PolarHBondContact N-CD2 3.45Å; F1020-H1022 PolarHBondContact N-NE2 3.32Å; F1020-H1022 PolarHBondContact O-N 3.32Å; H1022-F1042 AromaticContact CD2-CE1 3.84Å; H1022-F1042 AromaticContact CD2-CZ 3.76Å
1023	V	69.4	Low	67.6	Low	42 Å²	42	61.9 Å²	61.9	26%	0.255	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	134	-176	-175	0	0	0	0	109.2	L1007 C1021 T1039 L1198	L1007-V1023 HydrophobicContact CD2-CG1 3.78Å; C1021-V1023 PolarHBondContact O-N 3.18Å; V1023-T1039 WeakPolarHBondContact O-CB 3.43Å; V1023-T1039 PolarHBondContact O-OG1 3.46Å; V1023-L1198 HydrophobicContact CG2-CD2 3.69Å
1024	F	79	Confident	67.3	Low	0 Å²	0	59.6 Å²	59.6	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	132.3	171.9	-76.1	-94.4	0	0	0	109.5	L1007 F1008 F1010 C1021 L1037 Q1038 T1039 V1061 Y1064 L1065	L1007-F1024 WeakPolarHBondContact CA-O 3.45Å; F1008-F1024 HydrophobicContact CD1-CB 4.26Å; F1008-F1024 HydrophobicContact CD2-CB 3.96Å; F1008-F1024 HydrophobicContact CE1-CB 3.83Å; F1008-F1024 HydrophobicContact CE2-CB 3.47Å; F1008-F1024 VanDerWaalsContact CE2-CB 3.47Å; F1008-F1024 HydrophobicContact CE2-CD2 4.08Å; F1008-F1024 AromaticContact CE2-CG 3.85Å; F1008-F1024 HydrophobicContact CE2-CG 3.85Å; F1008-F1024 HydrophobicContact CG-CB 4.33Å; F1008-F1024 HydrophobicContact CZ-CB 3.41Å; F1008-F1024 VanDerWaalsContact CZ-CB 3.41Å; F1008-F1024 AromaticContact CZ-CG 3.99Å; F1008-F1024 HydrophobicContact CZ-CG 3.99Å; F1008-F1024 PolarHBondContact N-O 3.03Å; F1008-F1024 PolarHBondContact O-N 3.02Å; F1008-F1024 VanDerWaalsContact O-O 3.11Å; F1010-F1024 AromaticContact CD2-CD2 3.78Å; F1010-F1024 HydrophobicContact CD2-CD2 3.78Å; F1010-F1024 AromaticContact CD2-CE2 3.65Å; F1010-F1024 HydrophobicContact CD2-CE2 3.65Å; F1010-F1024 AromaticContact CE2-CD2 3.56Å; F1010-F1024 HydrophobicContact CE2-CD2 3.56Å; F1010-F1024 AromaticContact CE2-CE2 3.55Å; F1010-F1024 HydrophobicContact CE2-CE2 3.55Å; F1010-F1024 HydrophobicContact CE2-CG 4.5Å; F1010-F1024 HydrophobicContact CE2-CZ 4.48Å; C1021-F1024 HydrophobicContact CB-CE2 3.73Å; C1021-F1024 HydrophobicContact CB-CZ 3.74Å; C1021-F1024 WeakPolarHBondContact O-CE2 3.27Å; F1024-L1037 HydrophobicContact CB-CD2 4.42Å; F1024-L1037 HydrophobicContact CD1-CB 4.45Å; F1024-L1037 HydrophobicContact CD1-CD1 4.47Å; F1024-Q1038 CarbonylContact C-O 3.25Å; F1024-Q1038 WeakPolarHBondContact CA-O 3.41Å; F1024-T1039 HydrophobicContact CD1-CG2 4.28Å; F1024-T1039 HydrophobicContact CE1-CG2 3.74Å; F1024-T1039 HydrophobicContact CZ-CG2 4.06Å; F1024-V1061 HydrophobicContact CE1-CG1 4.1Å; F1024-V1061 HydrophobicContact CZ-CG1 4.12Å; F1024-Y1064 HydrophobicContact CE2-CD1 4.24Å; F1024-Y1064 HydrophobicContact CE2-CE1 4.23Å; F1024-Y1064 HydrophobicContact CZ-CD1 4.29Å; F1024-L1065 HydrophobicContact CD1-CD1 4.01Å; F1024-L1065 HydrophobicContact CD2-CD1 4.33Å; F1024-L1065 HydrophobicContact CE1-CB 4.38Å; F1024-L1065 HydrophobicContact CE1-CD1 3.91Å; F1024-L1065 HydrophobicContact CE1-CG 4.49Å; F1024-L1065 HydrophobicContact CE2-CD1 4.23Å; F1024-L1065 HydrophobicContact CG-CD1 4.22Å; F1024-L1065 HydrophobicContact CZ-CB 4.25Å; F1024-L1065 HydrophobicContact CZ-CD1 4.02Å
1025	R	73.5	Confident	67.5	Low	105 Å²	105	57.6 Å²	57.6	40%	0.396	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	125.6	174.4	-172.2	-177.7	-68.1	-140.6	6	110.1	E1006 L1007 L1027 L1037 Q1038	E1006-R1025 HydrophobicContact CG-CG 4.2Å; E1006-R1025 CarbonylContact O-C 3.6Å; E1006-R1025 WeakPolarHBondContact O-CA 3.28Å; E1006-R1025 IonicContact OE1-NH1 3.66Å; E1006-R1025 PolarHBondContact OE1-NH1 2.63Å; L1007-R1025 HydrophobicContact CD2-CB 3.77Å; L1007-R1025 HydrophobicContact CD2-CG 3.93Å; L1007-R1025 HydrophobicContact CG-CG 4.42Å; R1025-L1027 HydrophobicContact CG-CD2 4.2Å; R1025-L1027 PolarHBondContact O-N 3.17Å; R1025-L1037 CarbonylContact O-C 3.5Å; R1025-L1037 WeakPolarHBondContact O-CA 3.34Å; R1025-Q1038 PolarHBondContact N-O 2.84Å; R1025-Q1038 PolarHBondContact O-N 2.68Å
1026	D	73.4	Confident	68.1	Low	1 Å²	1	50.6 Å²	50.6	1%	0.005	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	107.6	166.8	-165.5	-30.2	0	0	0	109	W980 R981 E1006 R1028 L1037	W980-D1026 PolarHBondContact NE1-OD2 3.38Å; R981-D1026 IonicContact CZ-OD1 3.86Å; R981-D1026 IonicContact CZ-OD2 3.25Å; R981-D1026 VanDerWaalsContact CZ-OD2 3.26Å; R981-D1026 IonicContact NE-OD2 2.72Å; R981-D1026 PolarHBondContact NE-OD2 3.13Å; R981-D1026 VanDerWaalsContact NH2-CG 3.29Å; R981-D1026 IonicContact NH2-OD1 3.51Å; R981-D1026 PolarHBondContact NH2-OD1 3.27Å; R981-D1026 IonicContact NH2-OD2 3.49Å; R981-D1026 PolarHBondContact NH2-OD2 2.75Å; E1006-D1026 PolarHBondContact O-N 3.38Å; D1026-R1028 PolarHBondContact O-N 3.2Å; D1026-R1028 VanDerWaalsContact OD1-C 3.29Å; D1026-R1028 PolarHBondContact OD1-N 3.18Å; D1026-L1037 HydrophobicContact CB-CD2 4.17Å
1027	L	60.3	Low	68.8	Low	57 Å²	57	42.3 Å²	42.3	30%	0.298	21%	0.213	S	C	.	.	S	Bend	trans	-72.2	-7.4	-177.8	-64.6	-174.8	0	0	0	112.6	L717 T972 R1025 I1036 Q1038	L717-L1027 HydrophobicContact CD1-CD1 4.21Å; T972-L1027 HydrophobicContact CG2-CD1 4.09Å; R1025-L1027 HydrophobicContact CG-CD2 4.2Å; R1025-L1027 PolarHBondContact O-N 3.17Å; L1027-I1036 HydrophobicContact CB-CB 4.27Å; L1027-I1036 HydrophobicContact CB-CG2 4.01Å; L1027-I1036 HydrophobicContact CD1-CG2 3.84Å; L1027-I1036 HydrophobicContact CG-CG2 4.26Å; L1027-I1036 PolarHBondContact N-O 3.22Å; L1027-Q1038 HydrophobicContact CD1-CB 4.08Å; L1027-Q1038 HydrophobicContact CD2-CB 4.24Å; L1027-Q1038 HydrophobicContact CG-CB 4.12Å
1028	R	62.6	Low	69.3	Low	118 Å²	118	41 Å²	41	45%	0.445	21%	0.205	S	C	.	.			trans	-151.1	65.7	-174.5	-142.7	-170.4	152.6	155	7.7	112.7	R981 D1026 D1030 S1033	R981-R1028 PolarHBondContact NH1-O 3.27Å; R981-R1028 PolarHBondContact NH2-O 3.46Å; D1026-R1028 PolarHBondContact O-N 3.2Å; D1026-R1028 VanDerWaalsContact OD1-C 3.29Å; D1026-R1028 PolarHBondContact OD1-N 3.18Å; R1028-D1030 VanDerWaalsContact CG-OD1 3.23Å; R1028-D1030 WeakPolarHBondContact CG-OD1 3.48Å; R1028-D1030 IonicContact NE-OD1 3.05Å; R1028-D1030 IonicContact NE-OD2 3.16Å; R1028-D1030 PolarHBondContact NE-OD2 3.08Å; R1028-D1030 IonicContact NH2-OD2 2.68Å; R1028-D1030 PolarHBondContact O-N 3.23Å; R1028-S1033 PolarHBondContact O-OG 3.14Å
1029	P	63.6	Low	69.9	Low	50 Å²	50	39.8 Å²	39.8	33%	0.325	20%	0.2	S	C	.	.			trans	-68.2	16.3	-168.5	27.4	-35.2	0	0	0	117	F1004	F1004-P1029 HydrophobicContact CB-CB 4.49Å
1030	D	61.5	Low	70.3	Confident	71 Å²	71	40.8 Å²	40.8	38%	0.38	21%	0.205	S	C	.	.			trans	-80	132.3	178.3	56.5	-35.1	0	0	0	113.4	R981 R1028 N1032 S1033	R981-D1030 PolarHBondContact NH1-O 3.09Å; R1028-D1030 VanDerWaalsContact CG-OD1 3.23Å; R1028-D1030 WeakPolarHBondContact CG-OD1 3.48Å; R1028-D1030 IonicContact NE-OD1 3.05Å; R1028-D1030 IonicContact NE-OD2 3.16Å; R1028-D1030 PolarHBondContact NE-OD2 3.08Å; R1028-D1030 IonicContact NH2-OD2 2.68Å; R1028-D1030 PolarHBondContact O-N 3.23Å; D1030-N1032 PolarHBondContact O-N 3.06Å; D1030-S1033 VanDerWaalsContact CG-CB 3.42Å; D1030-S1033 PolarHBondContact O-N 3.07Å; D1030-S1033 PolarHBondContact O-OG 2.92Å; D1030-S1033 WeakPolarHBondContact OD1-CB 3.06Å; D1030-S1033 PolarHBondContact OD1-OG 3.4Å; D1030-S1033 WeakPolarHBondContact OD2-CB 3.48Å
1031	I	54	Low	70.2	Confident	83 Å²	83	40 Å²	40	43%	0.426	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-42.5	-41.6	-173.9	-68.4	166.3	0	0	0	114.6	D1002 F1004	D1002-I1031 HydrophobicContact CB-CD1 3.82Å; D1002-I1031 VanDerWaalsContact CG-CD1 3.41Å; F1004-I1031 HydrophobicContact CD2-CG1 4.42Å; F1004-I1031 HydrophobicContact CE2-CD1 4.26Å; F1004-I1031 HydrophobicContact CE2-CG1 3.47Å; F1004-I1031 VanDerWaalsContact CE2-CG1 3.47Å; F1004-I1031 HydrophobicContact CZ-CG1 4.15Å
1032	N	57.1	Low	70.1	Confident	156 Å²	156	40.2 Å²	40.2	83%	0.834	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-98.6	8.3	-170.5	-68.5	-31.2	0	0	0	114.4	D1030	D1030-N1032 PolarHBondContact O-N 3.06Å
1033	S	61.4	Low	70	Confident	9 Å²	9	40.9 Å²	40.9	6%	0.063	21%	0.209	C	C	.	.	S	Bend	trans	-87	155.4	179.3	59.7	0	0	0	0	114.2	R981 R1028 D1030	R981-S1033 PolarHBondContact NH1-OG 2.89Å; R981-S1033 VanDerWaalsContact NH1-OG 3.12Å; R981-S1033 PolarHBondContact NH2-OG 2.86Å; R1028-S1033 PolarHBondContact O-OG 3.14Å; D1030-S1033 VanDerWaalsContact CG-CB 3.42Å; D1030-S1033 PolarHBondContact O-N 3.07Å; D1030-S1033 PolarHBondContact O-OG 2.92Å; D1030-S1033 WeakPolarHBondContact OD1-CB 3.06Å; D1030-S1033 PolarHBondContact OD1-OG 3.4Å; D1030-S1033 WeakPolarHBondContact OD2-CB 3.48Å
1034	P	61.8	Low	70	Confident	52 Å²	52	42.3 Å²	42.3	34%	0.338	23%	0.225	S	C	.	.			trans	-57.9	142.1	162.5	27	-34.5	0	0	0	109.7	I1036	P1034-I1036 PolarHBondContact O-N 3.01Å
1035	G	71	Confident	69.9	Low	0 Å²	0	42.6 Å²	42.6	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	111.9	178.1	0	0	0	0	0	110.4	Y975	Y975-G1035 PolarHBondContact N-O 3.32Å; Y975-G1035 PolarHBondContact O-N 3.33Å
1036	I	75.6	Confident	70	Confident	39 Å²	39	37.6 Å²	37.6	20%	0.2	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	111.1	174.7	-54.5	175	0	0	0	108.5	T972 L973 V974 L1027 P1034	T972-I1036 HydrophobicContact CG2-CG2 3.8Å; L973-I1036 CarbonylContact O-C 3.58Å; L973-I1036 WeakPolarHBondContact O-CA 3.34Å; V974-I1036 HydrophobicContact CG1-CG1 4.41Å; V974-I1036 HydrophobicContact CG2-CG1 4.48Å; V974-I1036 HydrophobicContact CG2-CG2 4.42Å; L1027-I1036 HydrophobicContact CB-CB 4.27Å; L1027-I1036 HydrophobicContact CB-CG2 4.01Å; L1027-I1036 HydrophobicContact CD1-CG2 3.84Å; L1027-I1036 HydrophobicContact CG-CG2 4.26Å; L1027-I1036 PolarHBondContact N-O 3.22Å; P1034-I1036 PolarHBondContact O-N 3.01Å
1037	L	80.5	Confident	70.1	Confident	1 Å²	1	40.5 Å²	40.5	1%	0.005	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	146.1	176.3	-75	169.6	0	0	0	111.3	T972 L973 Y975 W980 F1008 F1024 R1025 D1026 L1065	T972-L1037 CarbonylContact C-O 3.57Å; T972-L1037 VanDerWaalsContact CA-O 3.23Å; T972-L1037 WeakPolarHBondContact CA-O 3.47Å; T972-L1037 WeakPolarHBondContact CG2-O 3.33Å; L973-L1037 HydrophobicContact CB-CB 4.48Å; L973-L1037 PolarHBondContact N-O 3.49Å; L973-L1037 PolarHBondContact O-N 3.26Å; Y975-L1037 HydrophobicContact CE2-CD1 4.3Å; W980-L1037 HydrophobicContact CD2-CD1 3.61Å; W980-L1037 HydrophobicContact CD2-CD2 4.29Å; W980-L1037 HydrophobicContact CD2-CG 4.11Å; W980-L1037 HydrophobicContact CE3-CD1 3.58Å; W980-L1037 HydrophobicContact CE3-CG 4.3Å; W980-L1037 HydrophobicContact CG-CD1 4.29Å; W980-L1037 HydrophobicContact CH2-CD1 3.61Å; W980-L1037 HydrophobicContact CH2-CD2 4.35Å; W980-L1037 HydrophobicContact CH2-CG 3.48Å; W980-L1037 VanDerWaalsContact CH2-CG 3.48Å; W980-L1037 HydrophobicContact CZ2-CD1 3.78Å; W980-L1037 HydrophobicContact CZ2-CD2 3.74Å; W980-L1037 HydrophobicContact CZ2-CG 3.37Å; W980-L1037 HydrophobicContact CZ3-CD1 3.58Å; W980-L1037 HydrophobicContact CZ3-CG 4.02Å; F1008-L1037 HydrophobicContact CE1-CD2 3.55Å; F1008-L1037 HydrophobicContact CZ-CD1 4.05Å; F1008-L1037 HydrophobicContact CZ-CD2 3.77Å; F1024-L1037 HydrophobicContact CB-CD2 4.42Å; F1024-L1037 HydrophobicContact CD1-CB 4.45Å; F1024-L1037 HydrophobicContact CD1-CD1 4.47Å; R1025-L1037 CarbonylContact O-C 3.5Å; R1025-L1037 WeakPolarHBondContact O-CA 3.34Å; D1026-L1037 HydrophobicContact CB-CD2 4.17Å; L1037-L1065 HydrophobicContact CD1-CD1 4.28Å; L1037-L1065 HydrophobicContact CD1-CD2 3.44Å; L1037-L1065 VanDerWaalsContact CD1-CD2 3.44Å
1038	Q	80.7	Confident	71	Confident	26 Å²	26	43.2 Å²	43.2	12%	0.121	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	139.7	168.9	-175.1	175.6	83.5	0	0	110.5	T970 I971 T972 F1024 R1025 L1027	T970-Q1038 HydrophobicContact CG2-CG 3.7Å; I971-Q1038 CarbonylContact O-C 3.52Å; I971-Q1038 VanDerWaalsContact O-CA 3.3Å; I971-Q1038 WeakPolarHBondContact O-CA 3.34Å; T972-Q1038 PolarHBondContact OG1-NE2 3.36Å; F1024-Q1038 CarbonylContact C-O 3.25Å; F1024-Q1038 WeakPolarHBondContact CA-O 3.41Å; R1025-Q1038 PolarHBondContact N-O 2.84Å; R1025-Q1038 PolarHBondContact O-N 2.68Å; L1027-Q1038 HydrophobicContact CD1-CB 4.08Å; L1027-Q1038 HydrophobicContact CD2-CB 4.24Å; L1027-Q1038 HydrophobicContact CG-CB 4.12Å
1039	T	82.5	Confident	72	Confident	4 Å²	4	39.9 Å²	39.9	3%	0.025	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	172.7	170.5	-166.1	0	0	0	0	110.3	I971 C1021 V1023 F1024 V1061	I971-T1039 HydrophobicContact CB-CG2 4.28Å; I971-T1039 PolarHBondContact N-O 3.3Å; I971-T1039 PolarHBondContact O-N 3.46Å; C1021-T1039 WeakPolarHBondContact CA-OG1 2.96Å; C1021-T1039 HydrophobicContact CB-CG2 4.4Å; V1023-T1039 WeakPolarHBondContact O-CB 3.43Å; V1023-T1039 PolarHBondContact O-OG1 3.46Å; F1024-T1039 HydrophobicContact CD1-CG2 4.28Å; F1024-T1039 HydrophobicContact CE1-CG2 3.74Å; F1024-T1039 HydrophobicContact CZ-CG2 4.06Å; T1039-V1061 HydrophobicContact CG2-CG1 3.71Å
1040	Q	79.1	Confident	72.8	Confident	21 Å²	21	39.1 Å²	39.1	10%	0.098	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	147.5	-177.7	-62.6	-175.2	-0.2	0	0	111.1	Y688 L968 I969 T970 C1021	Y688-Q1040 VanDerWaalsContact CE2-OE1 3.3Å; Y688-Q1040 PolarHBondContact OH-OE1 2.81Å; L968-Q1040 HydrophobicContact CD1-CB 4.17Å; I969-Q1040 CarbonylContact O-C 3.27Å; I969-Q1040 VanDerWaalsContact O-CA 3.25Å; I969-Q1040 WeakPolarHBondContact O-CA 3.39Å; T970-Q1040 HydrophobicContact CG2-CG 4.19Å; C1021-Q1040 PolarHBondContact N-O 3.22Å
1041	L	78.8	Confident	73.7	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	136.4	164.2	-70.2	83.5	0	0	0	110.7	L968 I969 I971 G1019 F1020 W1049 L1057 V1061	L968-L1041 CarbonylContact C-O 3.55Å; L968-L1041 WeakPolarHBondContact CA-O 3.43Å; L968-L1041 WeakPolarHBondContact CD1-O 3.47Å; I969-L1041 HydrophobicContact CB-CB 4.21Å; I969-L1041 PolarHBondContact N-O 3.44Å; I969-L1041 PolarHBondContact O-N 3.3Å; I971-L1041 HydrophobicContact CD1-CD1 3.02Å; I971-L1041 HydrophobicContact CD1-CG 4.46Å; I971-L1041 HydrophobicContact CG1-CD1 4.42Å; G1019-L1041 CarbonylContact O-C 3.59Å; G1019-L1041 WeakPolarHBondContact O-CA 3.45Å; F1020-L1041 HydrophobicContact CD2-CD2 3.31Å; F1020-L1041 HydrophobicContact CD2-CG 3.9Å; F1020-L1041 HydrophobicContact CE2-CD2 3.63Å; F1020-L1041 HydrophobicContact CE2-CG 4.34Å; F1020-L1041 HydrophobicContact CG-CD2 4.36Å; L1041-W1049 HydrophobicContact CD2-CB 3.85Å; L1041-W1049 HydrophobicContact CD2-CG 3.64Å; L1041-L1057 HydrophobicContact CD1-CD1 4.06Å; L1041-L1057 HydrophobicContact CD2-CD1 3.96Å; L1041-V1061 HydrophobicContact CD1-CG2 4.45Å
1042	F	76.9	Confident	75.1	Confident	4 Å²	4	42.9 Å²	42.9	2%	0.018	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	174.7	-178.6	56.6	-84.8	0	0	0	110.8	A684 E687 Y688 L968 G1019 H1022 S1045 A1046	A684-F1042 WeakPolarHBondContact O-CE2 3.26Å; A684-F1042 WeakPolarHBondContact O-CZ 3.22Å; E687-F1042 HydrophobicContact CB-CE2 4.27Å; E687-F1042 HydrophobicContact CG-CD2 4.46Å; E687-F1042 HydrophobicContact CG-CE2 4.29Å; Y688-F1042 VanDerWaalsContact CB-CZ 3.5Å; Y688-F1042 AromaticContact CD2-CD1 3.64Å; Y688-F1042 HydrophobicContact CD2-CD1 3.64Å; Y688-F1042 AromaticContact CD2-CE1 3.54Å; Y688-F1042 HydrophobicContact CD2-CE1 3.54Å; Y688-F1042 HydrophobicContact CD2-CG 4.26Å; Y688-F1042 HydrophobicContact CD2-CZ 4.09Å; Y688-F1042 HydrophobicContact CE2-CD1 4.48Å; Y688-F1042 HydrophobicContact CG-CE1 4.15Å; Y688-F1042 HydrophobicContact CG-CZ 4.26Å; L968-F1042 HydrophobicContact CD1-CB 4.03Å; G1019-F1042 VanDerWaalsContact CA-CZ 3.44Å; G1019-F1042 WeakPolarHBondContact CA-O 3.14Å; G1019-F1042 PolarHBondContact O-N 2.78Å; H1022-F1042 AromaticContact CD2-CE1 3.84Å; H1022-F1042 AromaticContact CD2-CZ 3.76Å; F1042-S1045 WeakPolarHBondContact O-CB 3.09Å; F1042-S1045 PolarHBondContact O-N 2.91Å; F1042-A1046 PolarHBondContact O-N 2.83Å
1043	A	67.3	Low	76.3	Confident	20 Å²	20	39.3 Å²	39.3	17%	0.165	21%	0.214	C	C	.	.	H	α-helix	trans	50.7	-140.7	177.6	0	0	0	0	0	113.6	E687 S1045 A1046 D1047	E687-A1043 HydrophobicContact CG-CB 4.17Å; E687-A1043 WeakPolarHBondContact OE1-CB 3.46Å; A1043-S1045 PolarHBondContact O-N 3.21Å; A1043-S1045 VanDerWaalsContact O-N 3.15Å; A1043-A1046 WeakPolarHBondContact O-CB 3.33Å; A1043-A1046 PolarHBondContact O-N 2.88Å; A1043-D1047 PolarHBondContact O-N 2.94Å; A1043-D1047 VanDerWaalsContact O-N 3.11Å
1044	A	70.3	Confident	77.3	Confident	71 Å²	71	42.5 Å²	42.5	59%	0.587	23%	0.23	S	C	*	.	H	α-helix	trans	-57.1	-30.6	-178.3	0	0	0	0	0	113.2	D1047 H1048	A1044-D1047 PolarHBondContact O-N 3.14Å; A1044-H1048 WeakPolarHBondContact O-CB 3.48Å; A1044-H1048 PolarHBondContact O-N 2.86Å
1045	S	76.6	Confident	78.2	Confident	6 Å²	6	44.6 Å²	44.6	4%	0.042	24%	0.242	C	C	.	.	H	α-helix	trans	-67.5	-43	173.8	-76.3	0	0	0	0	111.8	R1018 G1019 F1020 F1042 A1043 D1047 H1048 W1049	R1018-S1045 WeakPolarHBondContact O-CB 3.35Å; R1018-S1045 PolarHBondContact O-OG 3.08Å; G1019-S1045 WeakPolarHBondContact O-CB 3.43Å; F1020-S1045 PolarHBondContact N-OG 3.24Å; F1042-S1045 WeakPolarHBondContact O-CB 3.09Å; F1042-S1045 PolarHBondContact O-N 2.91Å; A1043-S1045 PolarHBondContact O-N 3.21Å; A1043-S1045 VanDerWaalsContact O-N 3.15Å; S1045-D1047 VanDerWaalsContact C-N 3.27Å; S1045-D1047 PolarHBondContact O-N 2.97Å; S1045-H1048 PolarHBondContact O-N 3.43Å; S1045-W1049 WeakPolarHBondContact O-CB 3.49Å; S1045-W1049 PolarHBondContact O-N 3.07Å
1046	A	74.7	Confident	78.9	Confident	0 Å²	0	49.3 Å²	49.3	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-60.3	-40	173.4	0	0	0	0	0	111.5	R967 I969 F1042 A1043 W1050	R967-A1046 HydrophobicContact CB-CB 4.12Å; R967-A1046 WeakPolarHBondContact O-CB 3.47Å; I969-A1046 HydrophobicContact CG1-CB 4.27Å; F1042-A1046 PolarHBondContact O-N 2.83Å; A1043-A1046 WeakPolarHBondContact O-CB 3.33Å; A1043-A1046 PolarHBondContact O-N 2.88Å; A1046-W1050 WeakPolarHBondContact O-CA 3.44Å; A1046-W1050 VanDerWaalsContact O-CB 3.27Å; A1046-W1050 WeakPolarHBondContact O-CB 3.16Å; A1046-W1050 PolarHBondContact O-N 3.4Å
1047	D	75.6	Confident	79.4	Confident	62 Å²	62	47.5 Å²	47.5	33%	0.332	26%	0.257	S	S	.	.	H	α-helix	trans	-66.1	-42.9	176.4	-75.9	-39.4	0	0	0	112.9	R967 A1043 A1044 S1045 W1049 W1050	R967-D1047 WeakPolarHBondContact CD-OD1 3.48Å; R967-D1047 IonicContact CZ-OD1 2.77Å; R967-D1047 IonicContact NE-OD1 3.86Å; R967-D1047 IonicContact NH1-OD1 3.5Å; R967-D1047 PolarHBondContact NH1-OD1 2.78Å; A1043-D1047 PolarHBondContact O-N 2.94Å; A1043-D1047 VanDerWaalsContact O-N 3.11Å; A1044-D1047 PolarHBondContact O-N 3.14Å; S1045-D1047 VanDerWaalsContact C-N 3.27Å; S1045-D1047 PolarHBondContact O-N 2.97Å; D1047-W1049 VanDerWaalsContact C-N 3.32Å; D1047-W1049 PolarHBondContact O-N 3.26Å; D1047-W1050 PolarHBondContact O-N 3.19Å
1048	H	79.4	Confident	79.6	Confident	115 Å²	115	49.8 Å²	49.8	53%	0.532	27%	0.268	S	S	.	.	H	α-helix	trans	-62	-40.5	177.9	-176.2	85.6	0	0	0	112.4	A1044 S1045 K1052	A1044-H1048 WeakPolarHBondContact O-CB 3.48Å; A1044-H1048 PolarHBondContact O-N 2.86Å; S1045-H1048 PolarHBondContact O-N 3.43Å; H1048-K1052 WeakPolarHBondContact O-CG 3.46Å
1049	W	82.4	Confident	79.9	Confident	47 Å²	47	52.1 Å²	52.1	18%	0.178	28%	0.284	C	S	.	.	H	α-helix	trans	-93.1	-5.6	-175.6	-69.6	98.7	0	0	0	113.9	I969 F1020 L1041 S1045 D1047 D1051 K1052 L1057 A1060	I969-W1049 HydrophobicContact CD1-CB 4.06Å; F1020-W1049 AromaticContact CD2-CD1 3.82Å; F1020-W1049 AromaticContact CD2-NE1 3.38Å; F1020-W1049 AromaticContact CE2-CD1 3.91Å; F1020-W1049 HydrophobicContact CE2-CD2 4.29Å; F1020-W1049 AromaticContact CE2-CE2 3.56Å; F1020-W1049 HydrophobicContact CE2-CG 4.49Å; F1020-W1049 AromaticContact CE2-CZ2 3.88Å; F1020-W1049 HydrophobicContact CE2-CZ2 3.88Å; F1020-W1049 AromaticContact CE2-NE1 3.3Å; F1020-W1049 VanDerWaalsContact CE2-NE1 3.3Å; F1020-W1049 HydrophobicContact CZ-CZ2 4.41Å; L1041-W1049 HydrophobicContact CD2-CB 3.85Å; L1041-W1049 HydrophobicContact CD2-CG 3.64Å; S1045-W1049 WeakPolarHBondContact O-CB 3.49Å; S1045-W1049 PolarHBondContact O-N 3.07Å; D1047-W1049 VanDerWaalsContact C-N 3.32Å; D1047-W1049 PolarHBondContact O-N 3.26Å; W1049-D1051 PolarHBondContact O-N 2.96Å; W1049-K1052 HydrophobicContact CD2-CG 4.44Å; W1049-K1052 HydrophobicContact CE3-CB 3.87Å; W1049-K1052 HydrophobicContact CE3-CG 3.82Å; W1049-K1052 HydrophobicContact CZ3-CB 4.43Å; W1049-K1052 HydrophobicContact CZ3-CG 4.4Å; W1049-K1052 PolarHBondContact O-N 3.38Å; W1049-L1057 HydrophobicContact CB-CD1 4.02Å; W1049-L1057 HydrophobicContact CB-CD2 4.44Å; W1049-L1057 HydrophobicContact CD2-CD1 3.66Å; W1049-L1057 HydrophobicContact CE3-CB 3.96Å; W1049-L1057 HydrophobicContact CE3-CD1 3.59Å; W1049-L1057 HydrophobicContact CE3-CG 4.33Å; W1049-L1057 HydrophobicContact CG-CD1 3.85Å; W1049-L1057 HydrophobicContact CZ3-CB 4.36Å; W1049-L1057 HydrophobicContact CZ3-CD1 4.29Å; W1049-A1060 HydrophobicContact CH2-CB 3.35Å; W1049-A1060 HydrophobicContact CZ2-CB 3.89Å; W1049-A1060 HydrophobicContact CZ3-CB 3.94Å
1050	W	81	Confident	80.2	Confident	34 Å²	34	53.1 Å²	53.1	13%	0.129	29%	0.293	C	S	.	.	H	α-helix	trans	-57	-50.3	-175.3	-163.6	-100.6	0	0	0	112.4	R967 I969 A1046 D1047 R1093 L1094 Q1095	R967-W1050 HydrophobicContact CB-CD2 4.43Å; R967-W1050 HydrophobicContact CB-CE3 3.71Å; R967-W1050 HydrophobicContact CB-CH2 4.26Å; R967-W1050 HydrophobicContact CB-CZ3 3.6Å; R967-W1050 HydrophobicContact CG-CD2 3.97Å; R967-W1050 HydrophobicContact CG-CE3 3.71Å; R967-W1050 HydrophobicContact CG-CH2 3.89Å; R967-W1050 HydrophobicContact CG-CZ2 4.14Å; R967-W1050 HydrophobicContact CG-CZ3 3.67Å; I969-W1050 HydrophobicContact CD1-CE3 4Å; I969-W1050 HydrophobicContact CG1-CE3 3.84Å; I969-W1050 HydrophobicContact CG1-CZ3 3.94Å; A1046-W1050 WeakPolarHBondContact O-CA 3.44Å; A1046-W1050 VanDerWaalsContact O-CB 3.27Å; A1046-W1050 WeakPolarHBondContact O-CB 3.16Å; A1046-W1050 PolarHBondContact O-N 3.4Å; D1047-W1050 PolarHBondContact O-N 3.19Å; W1050-R1093 HydrophobicContact CE3-CB 4.44Å; W1050-R1093 HydrophobicContact CE3-CG 4.34Å; W1050-R1093 HydrophobicContact CH2-CB 3.54Å; W1050-R1093 HydrophobicContact CH2-CG 4.3Å; W1050-R1093 HydrophobicContact CZ2-CB 4.03Å; W1050-R1093 HydrophobicContact CZ3-CB 3.78Å; W1050-R1093 HydrophobicContact CZ3-CG 4.1Å; W1050-R1093 PolarHBondContact O-NE 3.02Å; W1050-L1094 VanDerWaalsContact CH2-C 3.49Å; W1050-L1094 VanDerWaalsContact CH2-O 3.3Å; W1050-L1094 WeakPolarHBondContact CH2-O 3.44Å; W1050-Q1095 HydrophobicContact CH2-CB 3.64Å; W1050-Q1095 HydrophobicContact CZ2-CB 3.62Å; W1050-Q1095 HydrophobicContact CZ2-CG 4.42Å
1051	D	80.7	Confident	80.6	Confident	144 Å²	144	52.1 Å²	52.1	77%	0.77	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.6	3.8	-176.1	-59.9	-34.1	0	0	0	113	W1049	W1049-D1051 PolarHBondContact O-N 2.96Å
1052	K	84.1	Confident	81	Confident	89 Å²	89	53 Å²	53	39%	0.387	29%	0.293	S	S	.	.	S	Bend	trans	-82.5	149.1	177.5	-57.6	-65.6	-176.1	-179.7	0	110.3	H1048 W1049 R1093	H1048-K1052 WeakPolarHBondContact O-CG 3.46Å; W1049-K1052 HydrophobicContact CD2-CG 4.44Å; W1049-K1052 HydrophobicContact CE3-CB 3.87Å; W1049-K1052 HydrophobicContact CE3-CG 3.82Å; W1049-K1052 HydrophobicContact CZ3-CB 4.43Å; W1049-K1052 HydrophobicContact CZ3-CG 4.4Å; W1049-K1052 PolarHBondContact O-N 3.38Å; K1052-R1093 PolarHBondContact O-NH2 2.84Å
1053	T	81.9	Confident	81.3	Confident	82 Å²	82	61.5 Å²	61.5	50%	0.503	33%	0.325	S	S	.	.			trans	-64.5	148.1	177.6	63.8	0	0	0	0	111.3	V1055 L1056 L1057	T1053-V1055 PolarHBondContact O-N 3.03Å; T1053-L1056 PolarHBondContact O-N 3.08Å; T1053-L1056 VanDerWaalsContact O-N 3.11Å; T1053-L1056 WeakPolarHBondContact OG1-CB 3.32Å; T1053-L1056 WeakPolarHBondContact OG1-CD1 3.4Å; T1053-L1056 VanDerWaalsContact OG1-CG 3.25Å; T1053-L1056 WeakPolarHBondContact OG1-CG 3.48Å; T1053-L1056 PolarHBondContact OG1-N 3.07Å; T1053-L1057 PolarHBondContact O-N 3.09Å
1054	D	82.5	Confident	82.2	Confident	75 Å²	75	61.8 Å²	61.8	40%	0.401	32%	0.322	S	S	.	.	H	α-helix	trans	-57.2	-38.2	179.6	-75.5	7	0	0	0	112.2	L1057 Q1058 I1091 R1093	D1054-L1057 PolarHBondContact O-N 2.95Å; D1054-Q1058 WeakPolarHBondContact O-CB 3.12Å; D1054-Q1058 PolarHBondContact O-N 3.46Å; D1054-I1091 HydrophobicContact CB-CD1 3.83Å; D1054-I1091 WeakPolarHBondContact O-CD1 3.28Å; D1054-R1093 IonicContact OD1-CZ 2.75Å; D1054-R1093 IonicContact OD1-NH1 2.68Å; D1054-R1093 PolarHBondContact OD1-NH1 3.18Å; D1054-R1093 IonicContact OD1-NH2 3.31Å; D1054-R1093 PolarHBondContact OD1-NH2 3.17Å; D1054-R1093 IonicContact OD2-NH1 3.16Å
1055	V	81.2	Confident	82.9	Confident	96 Å²	96	58.4 Å²	58.4	58%	0.582	29%	0.294	S	S	*	.	H	α-helix	trans	-63.8	-42.8	178	-178.5	0	0	0	0	111.5	T1053 T1059	T1053-V1055 PolarHBondContact O-N 3.03Å; V1055-T1059 VanDerWaalsContact O-CB 3.3Å; V1055-T1059 WeakPolarHBondContact O-CB 3.16Å; V1055-T1059 PolarHBondContact O-N 2.91Å; V1055-T1059 PolarHBondContact O-OG1 2.82Å
1056	L	84.7	Confident	83.2	Confident	100 Å²	100	60.5 Å²	60.5	52%	0.524	30%	0.302	S	S	.	.	H	α-helix	trans	-66.4	-44	177.8	-74.6	174.2	0	0	0	111.3	T1053 T1059 A1060	T1053-L1056 PolarHBondContact O-N 3.08Å; T1053-L1056 VanDerWaalsContact O-N 3.11Å; T1053-L1056 WeakPolarHBondContact OG1-CB 3.32Å; T1053-L1056 WeakPolarHBondContact OG1-CD1 3.4Å; T1053-L1056 VanDerWaalsContact OG1-CG 3.25Å; T1053-L1056 WeakPolarHBondContact OG1-CG 3.48Å; T1053-L1056 PolarHBondContact OG1-N 3.07Å; L1056-T1059 PolarHBondContact O-N 3.07Å; L1056-A1060 WeakPolarHBondContact O-CB 3.48Å; L1056-A1060 PolarHBondContact O-N 3.23Å
1057	L	86.1	Confident	83.2	Confident	0 Å²	0	63.5 Å²	63.5	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-64.6	-48.4	178.1	178.5	56.3	0	0	0	111.1	I969 I971 F1020 L1041 W1049 T1053 D1054 T1059 A1060 V1061 I1091	I969-L1057 HydrophobicContact CD1-CD2 4.32Å; I969-L1057 HydrophobicContact CG2-CD2 3.85Å; I971-L1057 HydrophobicContact CD1-CD2 4.2Å; I971-L1057 HydrophobicContact CD1-CG 4.47Å; I971-L1057 HydrophobicContact CG1-CD2 4.23Å; I971-L1057 HydrophobicContact CG1-CG 4.39Å; F1020-L1057 HydrophobicContact CE2-CD1 4.33Å; L1041-L1057 HydrophobicContact CD1-CD1 4.06Å; L1041-L1057 HydrophobicContact CD2-CD1 3.96Å; W1049-L1057 HydrophobicContact CB-CD1 4.02Å; W1049-L1057 HydrophobicContact CB-CD2 4.44Å; W1049-L1057 HydrophobicContact CD2-CD1 3.66Å; W1049-L1057 HydrophobicContact CE3-CB 3.96Å; W1049-L1057 HydrophobicContact CE3-CD1 3.59Å; W1049-L1057 HydrophobicContact CE3-CG 4.33Å; W1049-L1057 HydrophobicContact CG-CD1 3.85Å; W1049-L1057 HydrophobicContact CZ3-CB 4.36Å; W1049-L1057 HydrophobicContact CZ3-CD1 4.29Å; T1053-L1057 PolarHBondContact O-N 3.09Å; D1054-L1057 PolarHBondContact O-N 2.95Å; L1057-T1059 VanDerWaalsContact C-N 3.32Å; L1057-T1059 PolarHBondContact O-N 3.24Å; L1057-A1060 PolarHBondContact O-N 3.25Å; L1057-V1061 HydrophobicContact CD1-CG2 4.01Å; L1057-V1061 WeakPolarHBondContact O-CG2 3.46Å; L1057-V1061 PolarHBondContact O-N 2.81Å; L1057-I1091 HydrophobicContact CB-CD1 4.05Å; L1057-I1091 HydrophobicContact CD2-CD1 4.08Å; L1057-I1091 HydrophobicContact CD2-CG2 3.93Å; L1057-I1091 HydrophobicContact CG-CD1 4.08Å
1058	Q	85.2	Confident	83.1	Confident	49 Å²	49	62 Å²	62	23%	0.229	31%	0.312	C	S	.	.	H	α-helix	trans	-52.3	-50.6	173.6	170.4	-172.4	-12.6	0	0	111.5	D1054 A1060 V1061 D1062 L1086 S1089 I1091	D1054-Q1058 WeakPolarHBondContact O-CB 3.12Å; D1054-Q1058 PolarHBondContact O-N 3.46Å; Q1058-A1060 VanDerWaalsContact C-N 3.29Å; Q1058-A1060 PolarHBondContact O-N 2.97Å; Q1058-V1061 PolarHBondContact O-N 3.26Å; Q1058-D1062 VanDerWaalsContact O-CB 3.3Å; Q1058-D1062 WeakPolarHBondContact O-CB 3.39Å; Q1058-D1062 PolarHBondContact O-N 2.85Å; Q1058-L1086 HydrophobicContact CG-CD2 3.74Å; Q1058-S1089 WeakPolarHBondContact CG-OG 3.18Å; Q1058-S1089 PolarHBondContact OE1-OG 3.09Å; Q1058-I1091 HydrophobicContact CB-CD1 4.31Å
1059	T	86.7	Confident	82.7	Confident	75 Å²	75	57.7 Å²	57.7	46%	0.46	29%	0.291	S	S	.	.	H	α-helix	trans	-63.5	-38.5	-178.3	-55.7	0	0	0	0	111	V1055 L1056 L1057 R1063	V1055-T1059 VanDerWaalsContact O-CB 3.3Å; V1055-T1059 WeakPolarHBondContact O-CB 3.16Å; V1055-T1059 PolarHBondContact O-N 2.91Å; V1055-T1059 PolarHBondContact O-OG1 2.82Å; L1056-T1059 PolarHBondContact O-N 3.07Å; L1057-T1059 VanDerWaalsContact C-N 3.32Å; L1057-T1059 PolarHBondContact O-N 3.24Å; T1059-R1063 WeakPolarHBondContact O-CB 3.31Å; T1059-R1063 PolarHBondContact O-N 3.4Å
1060	A	88	Confident	81.6	Confident	25 Å²	25	58.5 Å²	58.5	21%	0.207	30%	0.298	C	S	.	.	H	α-helix	trans	-66.2	-45.3	177	0	0	0	0	0	112.2	F1020 W1049 L1056 L1057 Q1058 Y1064	F1020-A1060 HydrophobicContact CZ-CB 4.19Å; W1049-A1060 HydrophobicContact CH2-CB 3.35Å; W1049-A1060 HydrophobicContact CZ2-CB 3.89Å; W1049-A1060 HydrophobicContact CZ3-CB 3.94Å; L1056-A1060 WeakPolarHBondContact O-CB 3.48Å; L1056-A1060 PolarHBondContact O-N 3.23Å; L1057-A1060 PolarHBondContact O-N 3.25Å; Q1058-A1060 VanDerWaalsContact C-N 3.29Å; Q1058-A1060 PolarHBondContact O-N 2.97Å; A1060-Y1064 WeakPolarHBondContact O-CB 2.97Å; A1060-Y1064 PolarHBondContact O-N 3.4Å
1061	V	87.8	Confident	79.9	Confident	0 Å²	0	62.2 Å²	62.2	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-67	-45.5	178.1	-178.4	0	0	0	0	111.2	I971 L973 F1020 F1024 T1039 L1041 L1057 Q1058 R1063 Y1064 L1065	I971-V1061 HydrophobicContact CD1-CG2 4.41Å; L973-V1061 HydrophobicContact CD1-CG1 3.83Å; F1020-V1061 HydrophobicContact CZ-CG2 4.09Å; F1024-V1061 HydrophobicContact CE1-CG1 4.1Å; F1024-V1061 HydrophobicContact CZ-CG1 4.12Å; T1039-V1061 HydrophobicContact CG2-CG1 3.71Å; L1041-V1061 HydrophobicContact CD1-CG2 4.45Å; L1057-V1061 HydrophobicContact CD1-CG2 4.01Å; L1057-V1061 WeakPolarHBondContact O-CG2 3.46Å; L1057-V1061 PolarHBondContact O-N 2.81Å; Q1058-V1061 PolarHBondContact O-N 3.26Å; V1061-R1063 PolarHBondContact O-N 2.88Å; V1061-Y1064 WeakPolarHBondContact O-CB 3.43Å; V1061-Y1064 PolarHBondContact O-N 3.11Å; V1061-L1065 WeakPolarHBondContact O-CB 3.48Å; V1061-L1065 PolarHBondContact O-N 3.33Å
1062	D	87.9	Confident	78.1	Confident	20 Å²	20	59.8 Å²	59.8	11%	0.107	31%	0.313	C	S	.	.	H	α-helix	trans	-60.5	-45.7	176.8	177.8	54.9	0	0	0	111.2	Y975 Q1058 Y1064 L1065 K1066 L1086	Y975-D1062 VanDerWaalsContact CE1-OD1 3.24Å; Y975-D1062 WeakPolarHBondContact CE1-OD1 3.38Å; Y975-D1062 VanDerWaalsContact CZ-OD1 3.28Å; Y975-D1062 PolarHBondContact OH-OD1 2.84Å; Q1058-D1062 VanDerWaalsContact O-CB 3.3Å; Q1058-D1062 WeakPolarHBondContact O-CB 3.39Å; Q1058-D1062 PolarHBondContact O-N 2.85Å; D1062-Y1064 VanDerWaalsContact C-N 3.35Å; D1062-Y1064 PolarHBondContact O-N 3.13Å; D1062-L1065 PolarHBondContact O-N 2.94Å; D1062-K1066 WeakPolarHBondContact O-CB 3.32Å; D1062-K1066 VanDerWaalsContact O-CG 3.3Å; D1062-K1066 WeakPolarHBondContact O-CG 3.45Å; D1062-K1066 PolarHBondContact O-N 3.02Å; D1062-K1066 WeakPolarHBondContact OD1-CE 3.47Å; D1062-K1066 IonicContact OD1-NZ 2.72Å; D1062-K1066 PolarHBondContact OD1-NZ 2.95Å; D1062-K1066 WeakPolarHBondContact OD2-CE 3.14Å; D1062-K1066 IonicContact OD2-NZ 3.26Å; D1062-K1066 PolarHBondContact OD2-NZ 3.34Å; D1062-L1086 HydrophobicContact CB-CD2 4.04Å
1063	R	84.1	Confident	75.9	Confident	181 Å²	181	57.7 Å²	57.7	68%	0.683	31%	0.31	S	S	*	.	H	α-helix	trans	-62.5	-42.1	174.8	-175.4	176.2	-177.3	155.9	2	111.5	T1059 V1061 K1066 T1067	T1059-R1063 WeakPolarHBondContact O-CB 3.31Å; T1059-R1063 PolarHBondContact O-N 3.4Å; V1061-R1063 PolarHBondContact O-N 2.88Å; R1063-K1066 PolarHBondContact O-N 3.38Å; R1063-T1067 VanDerWaalsContact O-CB 3.26Å; R1063-T1067 WeakPolarHBondContact O-CB 3.47Å; R1063-T1067 PolarHBondContact O-N 3.01Å; R1063-T1067 PolarHBondContact O-OG1 3.48Å
1064	Y	84.6	Confident	74	Confident	27 Å²	27	59.7 Å²	59.7	11%	0.106	33%	0.327	C	S	.	.	H	α-helix	trans	-59.9	-48.9	178.5	179.8	-96.6	0	0	0	111.5	F1010 F1020 C1021 F1024 A1060 V1061 D1062 T1067 H1068	F1010-Y1064 HydrophobicContact CB-CE1 4.3Å; F1010-Y1064 AromaticContact CD2-CE1 3.81Å; F1010-Y1064 HydrophobicContact CD2-CE1 3.81Å; F1010-Y1064 HydrophobicContact CG-CE1 4.35Å; F1020-Y1064 HydrophobicContact CD1-CD2 4.22Å; F1020-Y1064 HydrophobicContact CD1-CE2 4.43Å; F1020-Y1064 HydrophobicContact CD1-CG 4.33Å; F1020-Y1064 HydrophobicContact CE1-CD1 4.38Å; F1020-Y1064 HydrophobicContact CE1-CD2 4Å; F1020-Y1064 AromaticContact CE1-CG 3.85Å; F1020-Y1064 HydrophobicContact CE1-CG 3.85Å; C1021-Y1064 HydrophobicContact CB-CD1 3.74Å; C1021-Y1064 HydrophobicContact CB-CE1 3.74Å; F1024-Y1064 HydrophobicContact CE2-CD1 4.24Å; F1024-Y1064 HydrophobicContact CE2-CE1 4.23Å; F1024-Y1064 HydrophobicContact CZ-CD1 4.29Å; A1060-Y1064 WeakPolarHBondContact O-CB 2.97Å; A1060-Y1064 PolarHBondContact O-N 3.4Å; V1061-Y1064 WeakPolarHBondContact O-CB 3.43Å; V1061-Y1064 PolarHBondContact O-N 3.11Å; D1062-Y1064 VanDerWaalsContact C-N 3.35Å; D1062-Y1064 PolarHBondContact O-N 3.13Å; Y1064-T1067 PolarHBondContact O-N 3.26Å; Y1064-H1068 AromaticContact CD2-CE1 3.94Å; Y1064-H1068 AromaticContact CD2-ND1 3.94Å; Y1064-H1068 AromaticContact CE2-CE1 3.28Å; Y1064-H1068 WeakPolarHBondContact CE2-CE1 3.43Å; Y1064-H1068 AromaticContact CE2-ND1 3.67Å; Y1064-H1068 AromaticContact CZ-CE1 3.43Å; Y1064-H1068 VanDerWaalsContact CZ-CE1 3.43Å; Y1064-H1068 AromaticContact CZ-ND1 3.72Å; Y1064-H1068 PolarHBondContact O-N 3.19Å; Y1064-H1068 VanDerWaalsContact O-N 3.12Å; Y1064-H1068 PolarHBondContact O-ND1 3.03Å
1065	L	85	Confident	72	Confident	0 Å²	0	61.1 Å²	61.1	0%	0	34%	0.339	C	S	.	.	H	α-helix	trans	-60.1	-49.4	176.5	-177	71.7	0	0	0	111.4	Y975 W979 F1008 F1010 F1024 L1037 V1061 D1062 H1068 F1069	Y975-L1065 HydrophobicContact CE2-CD2 4.05Å; Y975-L1065 WeakPolarHBondContact OH-CD2 3.33Å; W979-L1065 HydrophobicContact CH2-CD2 3.88Å; W979-L1065 HydrophobicContact CH2-CG 3.79Å; W979-L1065 HydrophobicContact CZ2-CD2 3.67Å; W979-L1065 HydrophobicContact CZ2-CG 4.1Å; F1008-L1065 HydrophobicContact CE2-CD1 3.74Å; F1008-L1065 HydrophobicContact CZ-CD1 3.91Å; F1010-L1065 HydrophobicContact CE2-CD1 3.77Å; F1010-L1065 HydrophobicContact CZ-CD1 3.96Å; F1024-L1065 HydrophobicContact CD1-CD1 4.01Å; F1024-L1065 HydrophobicContact CD2-CD1 4.33Å; F1024-L1065 HydrophobicContact CE1-CB 4.38Å; F1024-L1065 HydrophobicContact CE1-CD1 3.91Å; F1024-L1065 HydrophobicContact CE1-CG 4.49Å; F1024-L1065 HydrophobicContact CE2-CD1 4.23Å; F1024-L1065 HydrophobicContact CG-CD1 4.22Å; F1024-L1065 HydrophobicContact CZ-CB 4.25Å; F1024-L1065 HydrophobicContact CZ-CD1 4.02Å; L1037-L1065 HydrophobicContact CD1-CD1 4.28Å; L1037-L1065 HydrophobicContact CD1-CD2 3.44Å; L1037-L1065 VanDerWaalsContact CD1-CD2 3.44Å; V1061-L1065 WeakPolarHBondContact O-CB 3.48Å; V1061-L1065 PolarHBondContact O-N 3.33Å; D1062-L1065 PolarHBondContact O-N 2.94Å; L1065-H1068 PolarHBondContact O-N 3Å; L1065-F1069 HydrophobicContact CD1-CD2 4.27Å; L1065-F1069 HydrophobicContact CD1-CE2 3.92Å; L1065-F1069 WeakPolarHBondContact O-CD2 3.4Å; L1065-F1069 PolarHBondContact O-N 3.29Å
1066	K	83.3	Confident	70.1	Confident	49 Å²	49	62.7 Å²	62.7	21%	0.213	34%	0.34	C	S	.	.	H	α-helix	trans	-61.6	-45.3	178.7	-75.1	169.7	174.5	170.5	0	111.8	W979 D1062 R1063 H1068 F1069 M1070 F1084	W979-K1066 HydrophobicContact CH2-CG 4.26Å; W979-K1066 HydrophobicContact CZ2-CG 4.24Å; D1062-K1066 WeakPolarHBondContact O-CB 3.32Å; D1062-K1066 VanDerWaalsContact O-CG 3.3Å; D1062-K1066 WeakPolarHBondContact O-CG 3.45Å; D1062-K1066 PolarHBondContact O-N 3.02Å; D1062-K1066 WeakPolarHBondContact OD1-CE 3.47Å; D1062-K1066 IonicContact OD1-NZ 2.72Å; D1062-K1066 PolarHBondContact OD1-NZ 2.95Å; D1062-K1066 WeakPolarHBondContact OD2-CE 3.14Å; D1062-K1066 IonicContact OD2-NZ 3.26Å; D1062-K1066 PolarHBondContact OD2-NZ 3.34Å; R1063-K1066 PolarHBondContact O-N 3.38Å; K1066-H1068 PolarHBondContact O-N 3.47Å; K1066-F1069 PolarHBondContact O-N 3.39Å; K1066-M1070 WeakPolarHBondContact O-CB 3.49Å; K1066-M1070 WeakPolarHBondContact O-CG 3.49Å; K1066-M1070 PolarHBondContact O-N 2.93Å; K1066-F1084 WeakPolarHBondContact CE-O 3.49Å; K1066-F1084 PolarHBondContact NZ-O 2.85Å; K1066-F1084 VanDerWaalsContact NZ-O 3.09Å
1067	T	75.7	Confident	68.2	Low	63 Å²	63	66 Å²	66	39%	0.387	35%	0.353	S	S	.	.	H	α-helix	trans	-63.7	-41.9	-177	-52.4	0	0	0	0	111.1	R1063 Y1064 F1069 M1070 I1071	R1063-T1067 VanDerWaalsContact O-CB 3.26Å; R1063-T1067 WeakPolarHBondContact O-CB 3.47Å; R1063-T1067 PolarHBondContact O-N 3.01Å; R1063-T1067 PolarHBondContact O-OG1 3.48Å; Y1064-T1067 PolarHBondContact O-N 3.26Å; T1067-F1069 VanDerWaalsContact C-N 3.32Å; T1067-F1069 PolarHBondContact O-N 3Å; T1067-M1070 PolarHBondContact O-N 3.02Å; T1067-I1071 HydrophobicContact CG2-CD1 3.93Å; T1067-I1071 HydrophobicContact CG2-CG1 4.26Å; T1067-I1071 WeakPolarHBondContact O-CD1 3.04Å; T1067-I1071 VanDerWaalsContact O-CG1 3.23Å; T1067-I1071 WeakPolarHBondContact O-CG1 3.26Å; T1067-I1071 PolarHBondContact O-N 2.81Å; T1067-I1071 VanDerWaalsContact O-N 3.14Å
1068	H	73.8	Confident	66.3	Low	32 Å²	32	71 Å²	71	15%	0.148	39%	0.388	C	S	.	.	H	α-helix	trans	-63.9	-34.5	179.5	-88.9	76.6	0	0	0	113.6	F1010 Y1064 L1065 K1066	F1010-H1068 HydrophobicContact CD1-CB 3.68Å; F1010-H1068 AromaticContact CD1-CD2 3.51Å; F1010-H1068 AromaticContact CD1-CG 3.73Å; F1010-H1068 HydrophobicContact CE1-CB 3.49Å; F1010-H1068 VanDerWaalsContact CE1-CB 3.49Å; F1010-H1068 HydrophobicContact CE2-CB 4.42Å; F1010-H1068 HydrophobicContact CG-CB 4.23Å; F1010-H1068 AromaticContact CG-CD2 3.77Å; F1010-H1068 AromaticContact CG-CG 3.95Å; F1010-H1068 HydrophobicContact CZ-CB 3.87Å; Y1064-H1068 AromaticContact CD2-CE1 3.94Å; Y1064-H1068 AromaticContact CD2-ND1 3.94Å; Y1064-H1068 AromaticContact CE2-CE1 3.28Å; Y1064-H1068 WeakPolarHBondContact CE2-CE1 3.43Å; Y1064-H1068 AromaticContact CE2-ND1 3.67Å; Y1064-H1068 AromaticContact CZ-CE1 3.43Å; Y1064-H1068 VanDerWaalsContact CZ-CE1 3.43Å; Y1064-H1068 AromaticContact CZ-ND1 3.72Å; Y1064-H1068 PolarHBondContact O-N 3.19Å; Y1064-H1068 VanDerWaalsContact O-N 3.12Å; Y1064-H1068 PolarHBondContact O-ND1 3.03Å; L1065-H1068 PolarHBondContact O-N 3Å; K1066-H1068 PolarHBondContact O-N 3.47Å
1069	F	70.1	Confident	64.5	Low	24 Å²	24	75.8 Å²	75.8	11%	0.105	41%	0.41	C	S	.	.	H	α-helix	trans	-83.4	-38.2	173.6	-75.6	-69.2	0	0	0	112.9	W979 W980 Y983 T984 F1008 F1010 L1065 K1066 T1067 I1071 S1072	W979-F1069 AromaticContact CH2-CD2 3.98Å; W979-F1069 HydrophobicContact CH2-CD2 3.98Å; W979-F1069 HydrophobicContact CZ3-CB 4.02Å; W979-F1069 AromaticContact CZ3-CD2 3.61Å; W979-F1069 HydrophobicContact CZ3-CD2 3.61Å; W979-F1069 HydrophobicContact CZ3-CE2 4.34Å; W979-F1069 HydrophobicContact CZ3-CG 4.01Å; W980-F1069 HydrophobicContact CB-CE2 3.86Å; W980-F1069 HydrophobicContact CB-CZ 4.03Å; Y983-F1069 VanDerWaalsContact CB-CE1 3.47Å; Y983-F1069 AromaticContact CD2-CD1 3.89Å; Y983-F1069 HydrophobicContact CD2-CD1 3.89Å; Y983-F1069 HydrophobicContact CD2-CE1 4.35Å; Y983-F1069 HydrophobicContact CD2-CG 4.36Å; Y983-F1069 AromaticContact CG-CD1 3.85Å; Y983-F1069 HydrophobicContact CG-CD1 3.85Å; Y983-F1069 HydrophobicContact CG-CE1 4.2Å; T984-F1069 HydrophobicContact CG2-CZ 4.24Å; F1008-F1069 HydrophobicContact CD2-CE2 4.43Å; F1008-F1069 HydrophobicContact CD2-CZ 4.16Å; F1008-F1069 AromaticContact CE2-CE2 3.8Å; F1008-F1069 HydrophobicContact CE2-CE2 3.8Å; F1008-F1069 AromaticContact CE2-CZ 3.95Å; F1008-F1069 HydrophobicContact CE2-CZ 3.95Å; F1008-F1069 HydrophobicContact CZ-CE2 4.27Å; F1008-F1069 HydrophobicContact CZ-CZ 4.48Å; F1010-F1069 HydrophobicContact CE1-CE2 4.17Å; F1010-F1069 HydrophobicContact CE1-CZ 4.26Å; F1010-F1069 HydrophobicContact CZ-CD2 4.03Å; F1010-F1069 AromaticContact CZ-CE2 3.54Å; F1010-F1069 HydrophobicContact CZ-CE2 3.54Å; F1010-F1069 AromaticContact CZ-CZ 3.98Å; F1010-F1069 HydrophobicContact CZ-CZ 3.98Å; L1065-F1069 HydrophobicContact CD1-CD2 4.27Å; L1065-F1069 HydrophobicContact CD1-CE2 3.92Å; L1065-F1069 WeakPolarHBondContact O-CD2 3.4Å; L1065-F1069 PolarHBondContact O-N 3.29Å; K1066-F1069 PolarHBondContact O-N 3.39Å; T1067-F1069 VanDerWaalsContact C-N 3.32Å; T1067-F1069 PolarHBondContact O-N 3Å; F1069-I1071 PolarHBondContact O-N 2.99Å; F1069-S1072 PolarHBondContact O-N 2.96Å; F1069-S1072 PolarHBondContact O-OG 3.34Å
1070	M	59.1	Low	62.6	Low	64 Å²	64	75.4 Å²	75.4	32%	0.315	40%	0.402	S	S	.	.	H	α-helix	trans	-75.7	-20.2	-173.3	-70.3	-76.3	-122.2	0	0	114.8	K1066 T1067 S1072 S1073 F1084	K1066-M1070 WeakPolarHBondContact O-CB 3.49Å; K1066-M1070 WeakPolarHBondContact O-CG 3.49Å; K1066-M1070 PolarHBondContact O-N 2.93Å; T1067-M1070 PolarHBondContact O-N 3.02Å; M1070-S1072 PolarHBondContact O-N 3.31Å; M1070-S1073 PolarHBondContact O-N 3.44Å; M1070-F1084 HydrophobicContact CE-CD2 3.81Å; M1070-F1084 HydrophobicContact CE-CE2 3.44Å; M1070-F1084 VanDerWaalsContact CE-CE2 3.44Å; M1070-F1084 HydrophobicContact CE-CZ 4.3Å; M1070-F1084 HydrophobicContact SD-CE2 3.95Å; M1070-F1084 HydrophobicContact SD-CZ 4.26Å
1071	I	45.8	Very low	60.9	Low	112 Å²	112	77.8 Å²	77.8	57%	0.574	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.6	-13.9	172.6	-70.6	162.2	0	0	0	111.7	T1067 F1069	T1067-I1071 HydrophobicContact CG2-CD1 3.93Å; T1067-I1071 HydrophobicContact CG2-CG1 4.26Å; T1067-I1071 WeakPolarHBondContact O-CD1 3.04Å; T1067-I1071 VanDerWaalsContact O-CG1 3.23Å; T1067-I1071 WeakPolarHBondContact O-CG1 3.26Å; T1067-I1071 PolarHBondContact O-N 2.81Å; T1067-I1071 VanDerWaalsContact O-N 3.14Å; F1069-I1071 PolarHBondContact O-N 2.99Å
1072	S	43.6	Very low	59.2	Low	92 Å²	92	84 Å²	84	64%	0.643	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85	-9.2	176.2	66.3	0	0	0	0	116	F1069 M1070	F1069-S1072 PolarHBondContact O-N 2.96Å; F1069-S1072 PolarHBondContact O-OG 3.34Å; M1070-S1072 PolarHBondContact O-N 3.31Å
1073	S	37.5	Very low	57.8	Low	46 Å²	46	90.5 Å²	90.5	32%	0.322	47%	0.473	S	S	.	.			trans	-134.8	86.7	-175.2	61.3	0	0	0	0	113	M1070 T1075	M1070-S1073 PolarHBondContact O-N 3.44Å; S1073-T1075 PolarHBondContact O-N 3.11Å; S1073-T1075 VanDerWaalsContact O-N 3.16Å
1074	S	40.7	Very low	57	Low	124 Å²	124	82.3 Å²	82.3	87%	0.867	44%	0.443	S	S	*	.			trans	-79.2	21.5	176.4	56.8	0	0	0	0	114.7
1075	T	40.3	Very low	56.4	Low	105 Å²	105	84.9 Å²	84.9	64%	0.644	46%	0.458	S	S	*	.	S	Bend	trans	-125.5	114.7	178.2	36.7	0	0	0	0	110.5	S1073	S1073-T1075 PolarHBondContact O-N 3.11Å; S1073-T1075 VanDerWaalsContact O-N 3.16Å
1076	E	42.5	Very low	56.2	Low	128 Å²	128	86.6 Å²	86.6	60%	0.598	47%	0.467	S	S	*	.			trans	77.9	64.1	165.4	-52.5	-171.4	172.4	0	0	118.2	S1078 F1080	E1076-S1078 PolarHBondContact O-N 3.4Å; E1076-S1078 VanDerWaalsContact O-N 3.11Å; E1076-F1080 WeakPolarHBondContact O-CD2 3.47Å
1077	E	44.1	Very low	55.7	Low	170 Å²	170	88.5 Å²	88.5	79%	0.794	48%	0.479	S	S	*	.	H	α-helix	trans	-56.6	-23.2	175	-71.7	-176.8	149.1	0	0	115.6
1078	S	46.2	Very low	55.7	Low	106 Å²	106	87.3 Å²	87.3	74%	0.741	47%	0.474	S	S	*	.	H	α-helix	trans	-84	-31.5	-168.3	57.1	0	0	0	0	114.9	E1076	E1076-S1078 PolarHBondContact O-N 3.4Å; E1076-S1078 VanDerWaalsContact O-N 3.11Å
1079	Q	47.7	Very low	55.7	Low	149 Å²	149	87 Å²	87	70%	0.696	48%	0.475	S	S	*	.	H	α-helix	trans	-84.8	-13.1	177.7	-71.7	-171.3	13.9	0	0	113.5
1080	F	46.3	Very low	55.6	Low	67 Å²	67	90.3 Å²	90.3	29%	0.294	49%	0.487	S	S	.	.	H	α-helix	trans	-92.4	-24	-173.5	-90.5	-81.7	0	0	0	114.4	E1076 D1082 R1083 F1084	E1076-F1080 WeakPolarHBondContact O-CD2 3.47Å; F1080-D1082 VanDerWaalsContact C-N 3.26Å; F1080-D1082 PolarHBondContact O-N 2.9Å; F1080-R1083 PolarHBondContact O-N 3.48Å; F1080-R1083 VanDerWaalsContact O-N 3.1Å; F1080-F1084 HydrophobicContact CB-CD2 4.44Å; F1080-F1084 HydrophobicContact CB-CE2 3.89Å; F1080-F1084 AromaticContact CD1-CE2 3.87Å; F1080-F1084 HydrophobicContact CD1-CE2 3.87Å; F1080-F1084 HydrophobicContact CD1-CZ 4.13Å; F1080-F1084 HydrophobicContact CG-CE2 4.32Å; F1080-F1084 WeakPolarHBondContact O-CD2 3.33Å
1081	S	52.7	Low	56.3	Low	74 Å²	74	87.9 Å²	87.9	52%	0.517	48%	0.476	S	S	.	.	G	3₁₀ helix	trans	-56.9	-36.2	-174.4	-75	0	0	0	0	113.5	R1083 F1084	S1081-R1083 VanDerWaalsContact C-N 3.31Å; S1081-R1083 PolarHBondContact O-N 3.48Å; S1081-F1084 PolarHBondContact O-N 3.39Å
1082	D	53.1	Low	57.1	Low	130 Å²	130	83.7 Å²	83.7	70%	0.695	46%	0.458	S	S	*	.	G	3₁₀ helix	trans	-68.2	-25.2	-179.2	-75.8	-21.5	0	0	0	114.1	F1080 F1084 N1085	F1080-D1082 VanDerWaalsContact C-N 3.26Å; F1080-D1082 PolarHBondContact O-N 2.9Å; D1082-F1084 VanDerWaalsContact C-N 3.34Å; D1082-N1085 PolarHBondContact O-ND2 3.28Å; D1082-N1085 VanDerWaalsContact O-ND2 3.14Å
1083	R	57.9	Low	58.3	Low	157 Å²	157	82.5 Å²	82.5	59%	0.592	44%	0.439	S	S	*	.	G	3₁₀ helix	trans	-76	-23.8	178.5	-71.1	-167.4	-163.7	-175.8	7.5	113.1	S977 F1080 S1081	S977-R1083 PolarHBondContact OG-O 2.84Å; S977-R1083 VanDerWaalsContact OG-O 3.12Å; F1080-R1083 PolarHBondContact O-N 3.48Å; F1080-R1083 VanDerWaalsContact O-N 3.1Å; S1081-R1083 VanDerWaalsContact C-N 3.31Å; S1081-R1083 PolarHBondContact O-N 3.48Å
1084	F	68.1	Low	58.9	Low	9 Å²	9	84.2 Å²	84.2	4%	0.039	44%	0.444	C	S	.	.	G	3₁₀ helix	trans	-100.2	24.7	-173	-55.9	-64.1	0	0	0	113.2	W979 K1066 M1070 F1080 S1081 D1082 L1086	W979-F1084 HydrophobicContact CB-CD1 3.87Å; W979-F1084 HydrophobicContact CB-CE1 3.66Å; W979-F1084 AromaticContact CD1-CD1 3.67Å; W979-F1084 AromaticContact CD2-CD1 3.37Å; W979-F1084 HydrophobicContact CD2-CD1 3.37Å; W979-F1084 AromaticContact CD2-CE1 3.49Å; W979-F1084 HydrophobicContact CD2-CE1 3.49Å; W979-F1084 VanDerWaalsContact CD2-CE1 3.49Å; W979-F1084 AromaticContact CE2-CD1 3.72Å; W979-F1084 AromaticContact CE3-CD1 3.86Å; W979-F1084 HydrophobicContact CE3-CD1 3.86Å; W979-F1084 AromaticContact CE3-CE1 3.54Å; W979-F1084 HydrophobicContact CE3-CE1 3.54Å; W979-F1084 AromaticContact CG-CD1 3.35Å; W979-F1084 HydrophobicContact CG-CD1 3.35Å; W979-F1084 AromaticContact CG-CE1 3.55Å; W979-F1084 HydrophobicContact CG-CE1 3.55Å; W979-F1084 HydrophobicContact CZ2-CD1 4.43Å; W979-F1084 HydrophobicContact CZ3-CE1 4.31Å; W979-F1084 AromaticContact NE1-CD1 3.88Å; K1066-F1084 WeakPolarHBondContact CE-O 3.49Å; K1066-F1084 PolarHBondContact NZ-O 2.85Å; K1066-F1084 VanDerWaalsContact NZ-O 3.09Å; M1070-F1084 HydrophobicContact CE-CD2 3.81Å; M1070-F1084 HydrophobicContact CE-CE2 3.44Å; M1070-F1084 VanDerWaalsContact CE-CE2 3.44Å; M1070-F1084 HydrophobicContact CE-CZ 4.3Å; M1070-F1084 HydrophobicContact SD-CE2 3.95Å; M1070-F1084 HydrophobicContact SD-CZ 4.26Å; F1080-F1084 HydrophobicContact CB-CD2 4.44Å; F1080-F1084 HydrophobicContact CB-CE2 3.89Å; F1080-F1084 AromaticContact CD1-CE2 3.87Å; F1080-F1084 HydrophobicContact CD1-CE2 3.87Å; F1080-F1084 HydrophobicContact CD1-CZ 4.13Å; F1080-F1084 HydrophobicContact CG-CE2 4.32Å; F1080-F1084 WeakPolarHBondContact O-CD2 3.33Å; S1081-F1084 PolarHBondContact O-N 3.39Å; D1082-F1084 VanDerWaalsContact C-N 3.34Å; F1084-L1086 PolarHBondContact O-N 2.95Å; F1084-L1086 VanDerWaalsContact O-N 3.15Å
1085	N	71.6	Confident	59.7	Low	81 Å²	81	82.2 Å²	82.2	43%	0.433	42%	0.421	S	S	.	.			trans	-68.7	111.6	-178.4	-80	-24.4	0	0	0	111.2	S976 D1082 L1087	S976-N1085 PolarHBondContact N-O 3.35Å; S976-N1085 VanDerWaalsContact N-O 3.15Å; S976-N1085 PolarHBondContact OG-O 2.58Å; D1082-N1085 PolarHBondContact O-ND2 3.28Å; D1082-N1085 VanDerWaalsContact O-ND2 3.14Å; N1085-L1087 PolarHBondContact O-N 3.1Å
1086	L	79.6	Confident	59.9	Low	36 Å²	36	78.5 Å²	78.5	19%	0.188	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	112.7	170.3	179.5	67.6	0	0	0	108.1	L973 Y975 Q1058 D1062 F1084 S1088	L973-L1086 HydrophobicContact CB-CD1 3.89Å; L973-L1086 HydrophobicContact CD2-CD1 4.09Å; L973-L1086 HydrophobicContact CD2-CD2 4.34Å; Y975-L1086 HydrophobicContact CD1-CB 4.17Å; Y975-L1086 HydrophobicContact CD1-CD1 4.18Å; Y975-L1086 HydrophobicContact CD2-CD1 4.32Å; Y975-L1086 HydrophobicContact CE1-CB 3.91Å; Y975-L1086 HydrophobicContact CE1-CD1 3.87Å; Y975-L1086 HydrophobicContact CE1-CG 4.47Å; Y975-L1086 HydrophobicContact CE2-CD1 4.05Å; Y975-L1086 HydrophobicContact CG-CD1 4.39Å; Q1058-L1086 HydrophobicContact CG-CD2 3.74Å; D1062-L1086 HydrophobicContact CB-CD2 4.04Å; F1084-L1086 PolarHBondContact O-N 2.95Å; F1084-L1086 VanDerWaalsContact O-N 3.15Å; L1086-S1088 WeakPolarHBondContact CD1-O 3.29Å
1087	L	73.3	Confident	59.8	Low	90 Å²	90	77.5 Å²	77.5	47%	0.471	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	-39	-178.3	-64.9	175.9	0	0	0	111.8	V974 N1085	V974-L1087 WeakPolarHBondContact O-CB 3.49Å; V974-L1087 PolarHBondContact O-N 2.83Å; N1085-L1087 PolarHBondContact O-N 3.1Å
1088	S	74.8	Confident	59.2	Low	38 Å²	38	75.4 Å²	75.4	27%	0.266	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.5	159.3	-179.7	-158.2	0	0	0	0	110.6	V974 L1086	V974-S1088 PolarHBondContact N-O 2.68Å; V974-S1088 PolarHBondContact O-N 3.11Å; L1086-S1088 WeakPolarHBondContact CD1-O 3.29Å
1089	S	74.8	Confident	58.6	Low	26 Å²	26	78.3 Å²	78.3	18%	0.182	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	165.2	163.3	64.3	0	0	0	0	111.1	T972 Q1058	T972-S1089 CarbonylContact O-C 3.57Å; T972-S1089 WeakPolarHBondContact O-CA 3.32Å; T972-S1089 WeakPolarHBondContact O-CB 3.26Å; Q1058-S1089 WeakPolarHBondContact CG-OG 3.18Å; Q1058-S1089 PolarHBondContact OE1-OG 3.09Å
1090	Y	67.4	Low	57.7	Low	92 Å²	92	78.9 Å²	78.9	36%	0.361	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	131	174.4	179.6	-107.3	0	0	0	109.6	T890 I971 T972 A1092 V1140	T890-Y1090 HydrophobicContact CG2-CD2 4.47Å; T890-Y1090 HydrophobicContact CG2-CE2 3.68Å; I971-Y1090 CarbonylContact C-O 3.59Å; I971-Y1090 WeakPolarHBondContact CA-O 3.39Å; T972-Y1090 PolarHBondContact N-O 3.43Å; T972-Y1090 PolarHBondContact O-N 3.47Å; Y1090-A1092 HydrophobicContact CE1-CB 3.9Å; Y1090-V1140 WeakPolarHBondContact OH-CG1 3.39Å
1091	I	73.9	Confident	57.3	Low	14 Å²	14	78.9 Å²	78.9	7%	0.072	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	118.4	-175.9	-61.6	174.3	0	0	0	108.3	I969 T970 I971 D1054 L1057 Q1058	I969-I1091 HydrophobicContact CG2-CG2 3.57Å; T970-I1091 CarbonylContact O-C 3.08Å; T970-I1091 WeakPolarHBondContact O-CA 3.5Å; I971-I1091 HydrophobicContact CB-CG1 4.44Å; I971-I1091 HydrophobicContact CG1-CB 4.48Å; I971-I1091 HydrophobicContact CG1-CD1 4.44Å; I971-I1091 HydrophobicContact CG1-CG1 3.83Å; I971-I1091 HydrophobicContact CG1-CG2 4.26Å; I971-I1091 HydrophobicContact CG2-CG1 4.1Å; D1054-I1091 HydrophobicContact CB-CD1 3.83Å; D1054-I1091 WeakPolarHBondContact O-CD1 3.28Å; L1057-I1091 HydrophobicContact CB-CD1 4.05Å; L1057-I1091 HydrophobicContact CD2-CD1 4.08Å; L1057-I1091 HydrophobicContact CD2-CG2 3.93Å; L1057-I1091 HydrophobicContact CG-CD1 4.08Å; Q1058-I1091 HydrophobicContact CB-CD1 4.31Å
1092	A	62.2	Low	56.8	Low	24 Å²	24	79.4 Å²	79.4	20%	0.198	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	119.7	176.5	0	0	0	0	0	109.8	I969 T970 Y1090	I969-A1092 CarbonylContact C-O 3.6Å; I969-A1092 WeakPolarHBondContact CA-O 3.27Å; T970-A1092 PolarHBondContact N-O 2.93Å; T970-A1092 PolarHBondContact O-N 3.37Å; Y1090-A1092 HydrophobicContact CE1-CB 3.9Å
1093	R	69.1	Low	56.6	Low	66 Å²	66	79.7 Å²	79.7	25%	0.249	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	119.2	175.8	-73.3	-177	-172.5	70.2	-3	109.7	I969 W1050 K1052 D1054	I969-R1093 HydrophobicContact CD1-CG 4.34Å; I969-R1093 HydrophobicContact CG1-CG 4.11Å; I969-R1093 HydrophobicContact CG2-CG 3.96Å; W1050-R1093 HydrophobicContact CE3-CB 4.44Å; W1050-R1093 HydrophobicContact CE3-CG 4.34Å; W1050-R1093 HydrophobicContact CH2-CB 3.54Å; W1050-R1093 HydrophobicContact CH2-CG 4.3Å; W1050-R1093 HydrophobicContact CZ2-CB 4.03Å; W1050-R1093 HydrophobicContact CZ3-CB 3.78Å; W1050-R1093 HydrophobicContact CZ3-CG 4.1Å; W1050-R1093 PolarHBondContact O-NE 3.02Å; K1052-R1093 PolarHBondContact O-NH2 2.84Å; D1054-R1093 IonicContact OD1-CZ 2.75Å; D1054-R1093 IonicContact OD1-NH1 2.68Å; D1054-R1093 PolarHBondContact OD1-NH1 3.18Å; D1054-R1093 IonicContact OD1-NH2 3.31Å; D1054-R1093 PolarHBondContact OD1-NH2 3.17Å; D1054-R1093 IonicContact OD2-NH1 3.16Å
1094	L	49.9	Very low	56.6	Low	82 Å²	82	73.3 Å²	73.3	43%	0.429	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	123.4	178.2	-72.3	158.3	0	0	0	108.9	R967 L968 W1050	R967-L1094 CarbonylContact C-O 3.6Å; R967-L1094 WeakPolarHBondContact CA-O 3.39Å; L968-L1094 HydrophobicContact CB-CB 4.28Å; L968-L1094 HydrophobicContact CD2-CD1 4.16Å; L968-L1094 PolarHBondContact N-O 2.71Å; L968-L1094 PolarHBondContact O-N 3.06Å; W1050-L1094 VanDerWaalsContact CH2-C 3.49Å; W1050-L1094 VanDerWaalsContact CH2-O 3.3Å; W1050-L1094 WeakPolarHBondContact CH2-O 3.44Å
1095	Q	58.2	Low	56.4	Low	83 Å²	83	73.9 Å²	73.9	39%	0.388	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	138	175.2	179.6	178.9	4.1	0	0	107.5	N965 R967 W1050 P1097	N965-Q1095 HydrophobicContact CB-CG 3.81Å; R967-Q1095 HydrophobicContact CG-CB 4.1Å; R967-Q1095 HydrophobicContact CG-CG 3.91Å; W1050-Q1095 HydrophobicContact CH2-CB 3.64Å; W1050-Q1095 HydrophobicContact CZ2-CB 3.62Å; W1050-Q1095 HydrophobicContact CZ2-CG 4.42Å; Q1095-P1097 WeakPolarHBondContact O-CD 3.19Å
1096	T	45.4	Very low	56.5	Low	27 Å²	27	70.1 Å²	70.1	17%	0.166	38%	0.381	C	S	.	.	P	Polyproline II helix	trans	-60.1	119.5	171.1	45.6	0	0	0	0	109.3	F698 N965 A966	F698-T1096 HydrophobicContact CE2-CG2 4.45Å; N965-T1096 WeakPolarHBondContact CB-OG1 3.23Å; N965-T1096 PolarHBondContact ND2-O 3.19Å; A966-T1096 PolarHBondContact N-OG1 3.45Å; A966-T1096 PolarHBondContact O-N 3.18Å; A966-T1096 PolarHBondContact O-OG1 2.88Å
1097	P	38.7	Very low	56.3	Low	107 Å²	107	68.4 Å²	68.4	70%	0.695	37%	0.372	S	S	*	.	P	Polyproline II helix	trans	-71	138.6	-175.5	25.5	-31	0	0	0	110.7	Q1095	Q1095-P1097 WeakPolarHBondContact O-CD 3.19Å
1098	N	33.3	Very low	56.4	Low	125 Å²	125	64.1 Å²	64.1	67%	0.668	35%	0.349	S	S	*	.	P	Polyproline II helix	trans	-67.3	134.5	163.4	-111.2	-24.4	0	0	0	108.5	N1100	N1098-N1100 PolarHBondContact O-N 3.33Å
1099	L	32	Very low	56.3	Low	168 Å²	168	63 Å²	63	88%	0.88	34%	0.341	S	S	*	.	S	Bend	trans	-52.8	8.9	-159.3	-101.5	98.7	0	0	0	120
1100	N	30.4	Very low	56.1	Low	160 Å²	160	63.2 Å²	63.2	86%	0.856	34%	0.34	S	S	*	.			trans	-132.5	34.3	-162.9	-71.5	-23.2	0	0	0	117.5	N1098	N1098-N1100 PolarHBondContact O-N 3.33Å
1101	S	36.8	Very low	55.7	Low	67 Å²	67	63.8 Å²	63.8	47%	0.469	35%	0.35	S	S	.	.			trans	-129.4	130.9	173.5	82.8	0	0	0	0	115.7	K1103	S1101-K1103 PolarHBondContact O-N 3.33Å; S1101-K1103 VanDerWaalsContact O-N 3.16Å
1102	S	43.2	Very low	54.7	Low	85 Å²	85	69.4 Å²	69.4	59%	0.594	38%	0.376	S	S	*	.			trans	-84.9	63	-171.4	59.4	0	0	0	0	113.7	N1104	S1102-N1104 PolarHBondContact O-N 2.8Å
1103	K	48.8	Very low	54.2	Low	136 Å²	136	77.1 Å²	77.1	59%	0.591	41%	0.407	S	S	*	.			trans	-87	11.5	-176	-73.5	-172.3	177.5	-178.7	0	116	S1101	S1101-K1103 PolarHBondContact O-N 3.33Å; S1101-K1103 VanDerWaalsContact O-N 3.16Å
1104	N	56.9	Low	53.2	Low	24 Å²	24	81.5 Å²	81.5	13%	0.128	44%	0.436	C	S	.	.			trans	-105.7	27.5	-164.5	-59.1	-23.7	0	0	0	115.2	S1102 H1122 N1145 Y1148	S1102-N1104 PolarHBondContact O-N 2.8Å; N1104-H1122 PolarHBondContact O-ND1 3.06Å; N1104-N1145 PolarHBondContact OD1-OD1 3.42Å; N1104-N1145 VanDerWaalsContact OD1-OD1 3.09Å; N1104-Y1148 WeakPolarHBondContact ND2-CB 3.2Å; N1104-Y1148 WeakPolarHBondContact ND2-CD2 3.31Å
1105	C	63.2	Low	53.2	Low	21 Å²	21	82.4 Å²	82.4	14%	0.142	44%	0.441	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	138.1	-177.9	-52.9	0	0	0	0	110.2	L942 W1120 F1121 H1122	L942-C1105 HydrophobicContact CD1-CB 4.09Å; L942-C1105 WeakPolarHBondContact CD1-SG 3.44Å; C1105-W1120 HydrophobicContact CB-CE3 3.92Å; C1105-F1121 CarbonylContact C-O 3.6Å; C1105-F1121 WeakPolarHBondContact CA-O 3.26Å; C1105-H1122 PolarHBondContact SG-CE1 2.81Å
1106	I	74.1	Confident	53	Low	1 Å²	1	83 Å²	83	1%	0.005	45%	0.453	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	143.5	172.2	-162.3	158.8	0	0	0	109.7	I893 I896 L898 I936 F1121 V1123	I893-I1106 HydrophobicContact CD1-CB 4.32Å; I893-I1106 HydrophobicContact CD1-CD1 4.4Å; I893-I1106 HydrophobicContact CG1-CB 4.33Å; I893-I1106 HydrophobicContact CG1-CD1 4.07Å; I893-I1106 HydrophobicContact CG1-CG1 4.11Å; I896-I1106 HydrophobicContact CG2-CD1 4.33Å; L898-I1106 HydrophobicContact CD1-CD1 3.66Å; L898-I1106 HydrophobicContact CD1-CG1 4.25Å; L898-I1106 HydrophobicContact CD1-CG2 4.29Å; L898-I1106 HydrophobicContact CD2-CD1 4.33Å; L898-I1106 HydrophobicContact CG-CD1 3.82Å; L898-I1106 HydrophobicContact CG-CG1 4.23Å; I936-I1106 HydrophobicContact CD1-CG2 3.8Å; I1106-F1121 PolarHBondContact N-O 2.85Å; I1106-F1121 PolarHBondContact O-N 2.94Å; I1106-V1123 HydrophobicContact CB-CG2 3.83Å; I1106-V1123 HydrophobicContact CG2-CG2 3.44Å; I1106-V1123 VanDerWaalsContact CG2-CG2 3.44Å
1107	C	75.9	Confident	54	Low	0 Å²	0	88 Å²	88	0%	0	47%	0.469	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	127.6	178.3	-174.1	0	0	0	0	110.9	R897 L898 W1120	R897-C1107 WeakPolarHBondContact CD-SG 3.44Å; R897-C1107 PolarHBondContact NE-SG 2.84Å; L898-C1107 PolarHBondContact N-O 3.29Å; C1107-W1120 HydrophobicContact CB-CD2 3.88Å; C1107-W1120 HydrophobicContact CB-CE3 3.98Å; C1107-W1120 HydrophobicContact CB-CH2 3.99Å; C1107-W1120 HydrophobicContact CB-CZ2 3.86Å; C1107-W1120 HydrophobicContact CB-CZ3 4.04Å
1108	I	75.8	Confident	55.7	Low	0 Å²	0	86.7 Å²	86.7	0%	0	45%	0.454	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	131.6	174.1	-54.7	-178	0	0	0	108.5	L898 F900 I936 Q1119 F1121	L898-I1108 WeakPolarHBondContact O-CA 3.5Å; F900-I1108 HydrophobicContact CD2-CG2 3.92Å; F900-I1108 HydrophobicContact CE2-CD1 4.06Å; F900-I1108 HydrophobicContact CE2-CG1 4.39Å; F900-I1108 HydrophobicContact CE2-CG2 4.13Å; I936-I1108 HydrophobicContact CB-CD1 4.13Å; I936-I1108 HydrophobicContact CD1-CD1 3.6Å; I936-I1108 HydrophobicContact CD1-CG1 4.28Å; I936-I1108 HydrophobicContact CG1-CD1 3.47Å; I936-I1108 VanDerWaalsContact CG1-CD1 3.47Å; I936-I1108 HydrophobicContact CG2-CD1 3.67Å; I1108-Q1119 PolarHBondContact N-O 2.9Å; I1108-Q1119 PolarHBondContact O-N 3.02Å; I1108-F1121 HydrophobicContact CB-CD2 3.91Å; I1108-F1121 HydrophobicContact CB-CE2 4.01Å; I1108-F1121 HydrophobicContact CD1-CB 4.04Å; I1108-F1121 HydrophobicContact CD1-CD2 3.31Å; I1108-F1121 HydrophobicContact CD1-CE2 3.79Å; I1108-F1121 HydrophobicContact CD1-CG 3.77Å; I1108-F1121 HydrophobicContact CG1-CD2 3.67Å; I1108-F1121 HydrophobicContact CG1-CE2 4.22Å; I1108-F1121 HydrophobicContact CG1-CG 4.44Å
1109	V	72	Confident	57.7	Low	15 Å²	15	82.5 Å²	82.5	9%	0.091	43%	0.43	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	114.5	174.1	-172.3	0	0	0	0	108.3	R897 L898 H899 C1116 E1118	R897-V1109 HydrophobicContact CB-CG2 4.02Å; R897-V1109 HydrophobicContact CG-CG2 4.29Å; L898-V1109 PolarHBondContact O-N 2.7Å; H899-V1109 VanDerWaalsContact CE1-CB 3.44Å; H899-V1109 WeakPolarHBondContact CE1-CB 3.41Å; V1109-C1116 HydrophobicContact CG1-CB 4.48Å; V1109-E1118 HydrophobicContact CG2-CG 4.3Å
1110	N	70.9	Confident	59.7	Low	30 Å²	30	78.8 Å²	78.8	16%	0.16	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	123.6	172.2	-62.8	-27.5	0	0	0	108.8	R932 R1117 Q1119	R932-N1110 PolarHBondContact NH1-OD1 2.93Å; R932-N1110 PolarHBondContact NH2-OD1 3Å; R932-N1110 VanDerWaalsContact NH2-OD1 3.08Å; N1110-R1117 PolarHBondContact N-O 2.95Å; N1110-R1117 PolarHBondContact O-N 3.38Å; N1110-R1117 VanDerWaalsContact O-N 3.14Å; N1110-Q1119 PolarHBondContact ND2-OE1 2.93Å
1111	N	58.9	Low	61.7	Low	105 Å²	105	71.3 Å²	71.3	56%	0.561	37%	0.365	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.1	94.7	171.1	-68	-2.5	0	0	0	108.1
1112	E	53.9	Low	63.2	Low	132 Å²	132	69.9 Å²	69.9	62%	0.617	35%	0.35	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.9	146.8	160.7	-69.3	-176.9	176.6	0	0	108	N1114 D1115	E1112-N1114 PolarHBondContact O-N 2.7Å; E1112-D1115 PolarHBondContact N-O 3.46Å; E1112-D1115 PolarHBondContact O-N 3.16Å
1113	E	51.3	Low	64.3	Low	185 Å²	185	66.9 Å²	66.9	86%	0.864	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48	-17	-158	-78.1	-178.3	155.9	0	0	117.4
1114	N	48.4	Very low	65.2	Low	158 Å²	158	64 Å²	64	85%	0.845	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-139.5	8.4	174.4	-71.8	-52	0	0	0	115.7	E1112	E1112-N1114 PolarHBondContact O-N 2.7Å
1115	D	49.3	Very low	65.1	Low	101 Å²	101	69 Å²	69	54%	0.54	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	118.1	-179.2	-115.4	-5.7	0	0	0	111.4	E1112 R1117	E1112-D1115 PolarHBondContact N-O 3.46Å; E1112-D1115 PolarHBondContact O-N 3.16Å; D1115-R1117 PolarHBondContact O-N 3.05Å
1116	C	53.6	Low	64.9	Low	96 Å²	96	70.8 Å²	70.8	65%	0.649	35%	0.346	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.8	111.9	172.6	-68.4	0	0	0	0	109.4	V1109	V1109-C1116 HydrophobicContact CG1-CB 4.48Å
1117	R	67.6	Low	64.4	Low	131 Å²	131	70.8 Å²	70.8	49%	0.494	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	119.6	175.5	-68.8	-174.6	179.7	-177.3	2	110.9	N1110 D1115	N1110-R1117 PolarHBondContact N-O 2.95Å; N1110-R1117 PolarHBondContact O-N 3.38Å; N1110-R1117 VanDerWaalsContact O-N 3.14Å; D1115-R1117 PolarHBondContact O-N 3.05Å
1118	E	73.9	Confident	63.7	Low	80 Å²	80	71.7 Å²	71.7	37%	0.374	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	128.2	168.3	-64.8	-157.4	157.5	0	0	109.7	R897 V1109	R897-E1118 IonicContact CZ-OE1 3.05Å; R897-E1118 IonicContact CZ-OE2 3.98Å; R897-E1118 VanDerWaalsContact NE-CD 3.32Å; R897-E1118 IonicContact NE-OE1 3.6Å; R897-E1118 PolarHBondContact NE-OE1 3.43Å; R897-E1118 IonicContact NE-OE2 2.81Å; R897-E1118 PolarHBondContact NE-OE2 3.37Å; R897-E1118 IonicContact NH2-OE1 3.2Å; R897-E1118 IonicContact NH2-OE2 2.86Å; R897-E1118 PolarHBondContact NH2-OE2 3.31Å; V1109-E1118 HydrophobicContact CG2-CG 4.3Å
1119	Q	74.9	Confident	62.8	Low	37 Å²	37	73 Å²	73	17%	0.173	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	136	178	-74.8	179.7	-14.6	0	0	109.6	I1108 N1110 F1121	I1108-Q1119 PolarHBondContact N-O 2.9Å; I1108-Q1119 PolarHBondContact O-N 3.02Å; N1110-Q1119 PolarHBondContact ND2-OE1 2.93Å; Q1119-F1121 HydrophobicContact CB-CD2 4.1Å; Q1119-F1121 HydrophobicContact CB-CE2 3.42Å; Q1119-F1121 VanDerWaalsContact CB-CE2 3.42Å; Q1119-F1121 HydrophobicContact CB-CZ 4.17Å; Q1119-F1121 WeakPolarHBondContact O-CD2 3.17Å
1120	W	73.3	Confident	62.4	Low	90 Å²	90	74.4 Å²	74.4	34%	0.341	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	128.7	178.7	-69.1	83.1	0	0	0	110.2	D894 L942 C1105 C1107	D894-W1120 HydrophobicContact CB-CH2 4.26Å; L942-W1120 HydrophobicContact CD1-CB 4.14Å; C1105-W1120 HydrophobicContact CB-CE3 3.92Å; C1107-W1120 HydrophobicContact CB-CD2 3.88Å; C1107-W1120 HydrophobicContact CB-CE3 3.98Å; C1107-W1120 HydrophobicContact CB-CH2 3.99Å; C1107-W1120 HydrophobicContact CB-CZ2 3.86Å; C1107-W1120 HydrophobicContact CB-CZ3 4.04Å
1121	F	72.1	Confident	62.3	Low	4 Å²	4	73.1 Å²	73.1	2%	0.018	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	151.7	-180	-68.4	-99.6	0	0	0	111.3	I936 L941 C1105 I1106 I1108 Q1119	I936-F1121 HydrophobicContact CG2-CB 3.45Å; I936-F1121 VanDerWaalsContact CG2-CB 3.45Å; I936-F1121 HydrophobicContact CG2-CD1 3.65Å; I936-F1121 HydrophobicContact CG2-CD2 4.49Å; I936-F1121 HydrophobicContact CG2-CE1 4.47Å; I936-F1121 HydrophobicContact CG2-CG 3.65Å; L941-F1121 HydrophobicContact CD1-CE1 4.16Å; L941-F1121 HydrophobicContact CD2-CD1 4.47Å; L941-F1121 HydrophobicContact CD2-CE1 3.65Å; L941-F1121 HydrophobicContact CD2-CE2 4.31Å; L941-F1121 HydrophobicContact CD2-CZ 3.54Å; L941-F1121 HydrophobicContact CG-CD1 4.25Å; L941-F1121 HydrophobicContact CG-CE1 3.5Å; L941-F1121 HydrophobicContact CG-CZ 3.94Å; C1105-F1121 CarbonylContact C-O 3.6Å; C1105-F1121 WeakPolarHBondContact CA-O 3.26Å; I1106-F1121 PolarHBondContact N-O 2.85Å; I1106-F1121 PolarHBondContact O-N 2.94Å; I1108-F1121 HydrophobicContact CB-CD2 3.91Å; I1108-F1121 HydrophobicContact CB-CE2 4.01Å; I1108-F1121 HydrophobicContact CD1-CB 4.04Å; I1108-F1121 HydrophobicContact CD1-CD2 3.31Å; I1108-F1121 HydrophobicContact CD1-CE2 3.79Å; I1108-F1121 HydrophobicContact CD1-CG 3.77Å; I1108-F1121 HydrophobicContact CG1-CD2 3.67Å; I1108-F1121 HydrophobicContact CG1-CE2 4.22Å; I1108-F1121 HydrophobicContact CG1-CG 4.44Å; Q1119-F1121 HydrophobicContact CB-CD2 4.1Å; Q1119-F1121 HydrophobicContact CB-CE2 3.42Å; Q1119-F1121 VanDerWaalsContact CB-CE2 3.42Å; Q1119-F1121 HydrophobicContact CB-CZ 4.17Å; Q1119-F1121 WeakPolarHBondContact O-CD2 3.17Å
1122	H	69.2	Low	62.2	Low	37 Å²	37	68.5 Å²	68.5	17%	0.171	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	139.9	165.7	-76.6	-70.1	0	0	0	111.2	D937 N1104 C1105	D937-H1122 PolarHBondContact N-O 3.23Å; N1104-H1122 PolarHBondContact O-ND1 3.06Å; C1105-H1122 PolarHBondContact SG-CE1 2.81Å
1123	V	66.7	Low	62.4	Low	22 Å²	22	69.1 Å²	69.1	13%	0.133	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	137.4	176.4	-177.3	0	0	0	0	108.9	L935 I1106 A1127 L1142	L935-V1123 WeakPolarHBondContact O-CG1 3.36Å; I1106-V1123 HydrophobicContact CB-CG2 3.83Å; I1106-V1123 HydrophobicContact CG2-CG2 3.44Å; I1106-V1123 VanDerWaalsContact CG2-CG2 3.44Å; V1123-A1127 HydrophobicContact CG1-CB 3.16Å; V1123-L1142 HydrophobicContact CB-CD2 4.44Å; V1123-L1142 HydrophobicContact CG1-CD2 4.11Å; V1123-L1142 HydrophobicContact CG2-CD2 3.98Å
1124	K	66.7	Low	62.9	Low	74 Å²	74	65.3 Å²	65.3	32%	0.322	31%	0.308	S	S	.	.	P	Polyproline II helix	trans	-63.8	146.8	175	-70.8	-171.6	175.7	175.4	0	110.7	S933 I934 L935 I936 D937 S1126 A1127	S933-K1124 PolarHBondContact O-NZ 2.96Å; I934-K1124 WeakPolarHBondContact O-CD 3.46Å; L935-K1124 PolarHBondContact O-N 2.81Å; I936-K1124 WeakPolarHBondContact O-CE 3.29Å; D937-K1124 HydrophobicContact CB-CG 3.96Å; K1124-S1126 PolarHBondContact O-N 3.37Å; K1124-S1126 VanDerWaalsContact O-N 3.07Å; K1124-A1127 HydrophobicContact CB-CB 4.47Å; K1124-A1127 WeakPolarHBondContact O-CB 3.01Å; K1124-A1127 PolarHBondContact O-N 2.96Å
1125	R	55.5	Low	63.6	Low	129 Å²	129	57.9 Å²	57.9	49%	0.487	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.1	-39.1	-176.4	-163.9	176	179.6	142.2	8.3	114.2	E1146	R1125-E1146 HydrophobicContact CG-CG 4.05Å; R1125-E1146 IonicContact CZ-OE2 3.04Å; R1125-E1146 IonicContact NE-OE2 2.88Å; R1125-E1146 PolarHBondContact NE-OE2 3.31Å; R1125-E1146 IonicContact NH2-OE2 2.86Å; R1125-E1146 PolarHBondContact NH2-OE2 3.16Å
1126	S	58.8	Low	64.1	Low	59 Å²	59	53.5 Å²	53.5	41%	0.413	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.3	10.4	-179.5	63.9	0	0	0	0	114.7	K1124 W1128 M1129 E1130	K1124-S1126 PolarHBondContact O-N 3.37Å; K1124-S1126 VanDerWaalsContact O-N 3.07Å; S1126-W1128 VanDerWaalsContact C-N 3.32Å; S1126-W1128 PolarHBondContact O-N 2.92Å; S1126-M1129 PolarHBondContact O-N 3.27Å; S1126-E1130 PolarHBondContact O-N 3.49Å; S1126-E1130 VanDerWaalsContact O-N 3.13Å
1127	A	63.7	Low	64.5	Low	1 Å²	1	49 Å²	49	1%	0.008	22%	0.217	C	C	.	.	H	α-helix	trans	-61.1	-39.3	-169.4	0	0	0	0	0	112.8	L935 V1123 K1124 E1130 L1131	L935-A1127 HydrophobicContact CB-CB 4.24Å; L935-A1127 HydrophobicContact CD2-CB 3.8Å; L935-A1127 WeakPolarHBondContact CD2-O 3.2Å; L935-A1127 WeakPolarHBondContact O-CB 3.36Å; V1123-A1127 HydrophobicContact CG1-CB 3.16Å; K1124-A1127 HydrophobicContact CB-CB 4.47Å; K1124-A1127 WeakPolarHBondContact O-CB 3.01Å; K1124-A1127 PolarHBondContact O-N 2.96Å; A1127-E1130 PolarHBondContact O-N 3.13Å; A1127-L1131 VanDerWaalsContact O-CB 3.28Å; A1127-L1131 WeakPolarHBondContact O-CB 3.49Å; A1127-L1131 PolarHBondContact O-N 2.97Å
1128	W	61.9	Low	64	Low	19 Å²	19	43.6 Å²	43.6	7%	0.072	20%	0.197	C	C	.	.	H	α-helix	trans	-65.7	-44.2	-179	71.7	-96.8	0	0	0	112	S1126 E1130 L1131 V1132 L1142 I1143	S1126-W1128 VanDerWaalsContact C-N 3.32Å; S1126-W1128 PolarHBondContact O-N 2.92Å; W1128-E1130 VanDerWaalsContact C-N 3.29Å; W1128-E1130 PolarHBondContact O-N 3.1Å; W1128-L1131 WeakPolarHBondContact O-CB 3.49Å; W1128-L1131 PolarHBondContact O-N 2.81Å; W1128-V1132 WeakPolarHBondContact O-CG2 3.5Å; W1128-V1132 PolarHBondContact O-N 3.24Å; W1128-L1142 HydrophobicContact CB-CB 3.73Å; W1128-L1142 HydrophobicContact CB-CD1 4.44Å; W1128-I1143 HydrophobicContact CD2-CG1 4.36Å
1129	M	55.6	Low	63.5	Low	29 Å²	29	39.9 Å²	39.9	14%	0.143	18%	0.18	C	C	.	.	H	α-helix	trans	-59.9	-44.4	176.1	-78.6	-171.3	-79.1	0	0	110.7	L710 S1126 L1131 V1132 K1133	L710-M1129 HydrophobicContact CD1-CE 3.69Å; L710-M1129 HydrophobicContact CD1-SD 4.2Å; L710-M1129 HydrophobicContact CD2-SD 4.13Å; S1126-M1129 PolarHBondContact O-N 3.27Å; M1129-L1131 VanDerWaalsContact C-N 3.33Å; M1129-V1132 PolarHBondContact O-N 3.09Å; M1129-K1133 WeakPolarHBondContact O-CB 3.34Å; M1129-K1133 PolarHBondContact O-N 3.44Å
1130	E	64.6	Low	62.4	Low	44 Å²	44	39.4 Å²	39.4	21%	0.206	18%	0.18	C	C	.	.	H	α-helix	trans	-73.4	-29.1	-176.7	-157.2	62.5	-172.5	0	0	112.1	I934 S1126 A1127 W1128 R1134	I934-E1130 HydrophobicContact CG2-CB 3.88Å; I934-E1130 HydrophobicContact CG2-CG 3.22Å; S1126-E1130 PolarHBondContact O-N 3.49Å; S1126-E1130 VanDerWaalsContact O-N 3.13Å; A1127-E1130 PolarHBondContact O-N 3.13Å; W1128-E1130 VanDerWaalsContact C-N 3.29Å; W1128-E1130 PolarHBondContact O-N 3.1Å; E1130-R1134 VanDerWaalsContact O-CB 3.27Å; E1130-R1134 WeakPolarHBondContact O-CB 3.19Å; E1130-R1134 VanDerWaalsContact O-CG 3.25Å; E1130-R1134 WeakPolarHBondContact O-CG 3.4Å; E1130-R1134 PolarHBondContact O-N 3.08Å; E1130-R1134 VanDerWaalsContact O-N 3.16Å; E1130-R1134 IonicContact OE1-CZ 2.97Å; E1130-R1134 IonicContact OE1-NE 3.21Å; E1130-R1134 PolarHBondContact OE1-NE 3.17Å; E1130-R1134 IonicContact OE1-NH2 2.84Å; E1130-R1134 PolarHBondContact OE1-NH2 2.96Å
1131	L	67.8	Low	61.4	Low	3 Å²	3	37.4 Å²	37.4	2%	0.016	18%	0.176	C	C	.	.	H	α-helix	trans	-64.2	-54.3	170.1	-172.9	70.8	0	0	0	110.5	L927 L935 A1127 W1128 M1129 K1133 R1134 T1135 L1137 I1139 L1142	L927-L1131 HydrophobicContact CD1-CD1 4.08Å; L927-L1131 HydrophobicContact CD2-CD1 4.09Å; L935-L1131 HydrophobicContact CD1-CD1 3.78Å; L935-L1131 HydrophobicContact CD2-CB 3.9Å; L935-L1131 HydrophobicContact CD2-CD1 4.33Å; A1127-L1131 VanDerWaalsContact O-CB 3.28Å; A1127-L1131 WeakPolarHBondContact O-CB 3.49Å; A1127-L1131 PolarHBondContact O-N 2.97Å; W1128-L1131 WeakPolarHBondContact O-CB 3.49Å; W1128-L1131 PolarHBondContact O-N 2.81Å; M1129-L1131 VanDerWaalsContact C-N 3.33Å; L1131-K1133 PolarHBondContact O-N 2.87Å; L1131-R1134 PolarHBondContact O-N 3.34Å; L1131-T1135 HydrophobicContact CD1-CG2 4.26Å; L1131-T1135 WeakPolarHBondContact O-CB 3.35Å; L1131-T1135 PolarHBondContact O-N 3.4Å; L1131-T1135 PolarHBondContact O-OG1 3.19Å; L1131-L1137 HydrophobicContact CD1-CD2 4.38Å; L1131-L1137 HydrophobicContact CD2-CB 4.4Å; L1131-L1137 HydrophobicContact CD2-CD2 4.08Å; L1131-L1137 HydrophobicContact CD2-CG 4.26Å; L1131-L1137 HydrophobicContact CG-CB 4.24Å; L1131-L1137 HydrophobicContact CG-CD2 4.44Å; L1131-L1137 WeakPolarHBondContact CG-O 3.45Å; L1131-I1139 HydrophobicContact CD2-CD1 3.74Å; L1131-I1139 HydrophobicContact CD2-CG1 3.95Å; L1131-L1142 HydrophobicContact CD2-CD1 4.42Å
1132	V	58.4	Low	60.6	Low	8 Å²	8	37.6 Å²	37.6	5%	0.048	18%	0.177	C	C	.	.	H	α-helix	trans	-57.8	-51.1	179.9	173.9	0	0	0	0	110.3	Q719 L720 W1128 M1129 R1134 T1135 G1136 L1137 L1138	Q719-V1132 HydrophobicContact CB-CG1 4.37Å; L720-V1132 HydrophobicContact CD2-CG1 4.32Å; W1128-V1132 WeakPolarHBondContact O-CG2 3.5Å; W1128-V1132 PolarHBondContact O-N 3.24Å; M1129-V1132 PolarHBondContact O-N 3.09Å; V1132-R1134 VanDerWaalsContact C-N 3.29Å; V1132-R1134 PolarHBondContact O-N 3.4Å; V1132-T1135 PolarHBondContact O-N 3.44Å; V1132-G1136 WeakPolarHBondContact O-CA 3.23Å; V1132-G1136 PolarHBondContact O-N 3.42Å; V1132-L1137 WeakPolarHBondContact CA-O 3.21Å; V1132-L1137 WeakPolarHBondContact CG2-O 3.4Å; V1132-L1137 PolarHBondContact N-O 3.15Å; V1132-L1138 HydrophobicContact CG2-CB 3.92Å; V1132-L1138 HydrophobicContact CG2-CD1 3.59Å; V1132-L1138 HydrophobicContact CG2-CG 4.37Å
1133	K	56.5	Low	59.5	Low	145 Å²	145	37.8 Å²	37.8	63%	0.63	18%	0.179	S	C	*	.	H	α-helix	trans	-60.7	-34.4	-177.2	-175.1	177.4	-179.7	179.8	0	113.6	M1129 L1131	M1129-K1133 WeakPolarHBondContact O-CB 3.34Å; M1129-K1133 PolarHBondContact O-N 3.44Å; L1131-K1133 PolarHBondContact O-N 2.87Å
1134	R	63.2	Low	58.4	Low	104 Å²	104	41.9 Å²	41.9	39%	0.392	20%	0.196	S	C	.	.	H	α-helix	trans	-94.5	-25.7	-176.1	-68.5	-173.6	-179.4	-132	3.1	114.2	L931 I934 E1130 L1131 V1132	L931-R1134 HydrophobicContact CD2-CB 4.16Å; L931-R1134 VanDerWaalsContact CD2-CD 3.43Å; L931-R1134 HydrophobicContact CD2-CG 4.46Å; I934-R1134 VanDerWaalsContact CD1-NH1 3.27Å; E1130-R1134 VanDerWaalsContact O-CB 3.27Å; E1130-R1134 WeakPolarHBondContact O-CB 3.19Å; E1130-R1134 VanDerWaalsContact O-CG 3.25Å; E1130-R1134 WeakPolarHBondContact O-CG 3.4Å; E1130-R1134 PolarHBondContact O-N 3.08Å; E1130-R1134 VanDerWaalsContact O-N 3.16Å; E1130-R1134 IonicContact OE1-CZ 2.97Å; E1130-R1134 IonicContact OE1-NE 3.21Å; E1130-R1134 PolarHBondContact OE1-NE 3.17Å; E1130-R1134 IonicContact OE1-NH2 2.84Å; E1130-R1134 PolarHBondContact OE1-NH2 2.96Å; L1131-R1134 PolarHBondContact O-N 3.34Å; V1132-R1134 VanDerWaalsContact C-N 3.29Å; V1132-R1134 PolarHBondContact O-N 3.4Å
1135	T	63.4	Low	57.2	Low	3 Å²	3	39.2 Å²	39.2	2%	0.018	19%	0.186	C	C	.	.	H	α-helix	trans	-126.9	-16.7	-167.5	69.8	0	0	0	0	114.2	I759 L875 L931 L1131 V1132 L1137	I759-T1135 WeakPolarHBondContact CG2-O 3.37Å; L875-T1135 HydrophobicContact CD1-CG2 3.5Å; L875-T1135 HydrophobicContact CD2-CG2 4.27Å; L931-T1135 HydrophobicContact CD1-CG2 3.45Å; L931-T1135 VanDerWaalsContact CD1-CG2 3.45Å; L1131-T1135 HydrophobicContact CD1-CG2 4.26Å; L1131-T1135 WeakPolarHBondContact O-CB 3.35Å; L1131-T1135 PolarHBondContact O-N 3.4Å; L1131-T1135 PolarHBondContact O-OG1 3.19Å; V1132-T1135 PolarHBondContact O-N 3.44Å; T1135-L1137 PolarHBondContact O-N 3.45Å; T1135-L1137 VanDerWaalsContact OG1-CB 3.25Å; T1135-L1137 WeakPolarHBondContact OG1-CB 3.31Å; T1135-L1137 PolarHBondContact OG1-N 2.74Å; T1135-L1137 VanDerWaalsContact OG1-N 3.17Å
1136	G	58.8	Low	56.2	Low	8 Å²	8	35.3 Å²	35.3	8%	0.082	17%	0.173	C	C	.	.	S	Bend	trans	72	11.1	-169.7	0	0	0	0	0	113.8	W886 V887 V1132	W886-G1136 VanDerWaalsContact CA-O 3.31Å; W886-G1136 WeakPolarHBondContact CA-O 3.37Å; W886-G1136 WeakPolarHBondContact CB-O 3.39Å; V887-G1136 PolarHBondContact N-O 2.91Å; V1132-G1136 WeakPolarHBondContact O-CA 3.23Å; V1132-G1136 PolarHBondContact O-N 3.42Å
1137	L	62.9	Low	54.8	Low	1 Å²	1	39 Å²	39	1%	0.005	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	120.8	178.8	-174.1	70.7	0	0	0	110.9	I759 I873 V887 V889 I925 L1131 V1132 T1135 I1139	I759-L1137 HydrophobicContact CD1-CB 4.14Å; I759-L1137 HydrophobicContact CD1-CD1 3.96Å; I873-L1137 HydrophobicContact CD1-CD1 4.08Å; I873-L1137 HydrophobicContact CG2-CD1 4.31Å; V887-L1137 HydrophobicContact CB-CD1 3.79Å; V887-L1137 HydrophobicContact CG1-CD1 3.92Å; V887-L1137 WeakPolarHBondContact O-CA 3.5Å; V889-L1137 HydrophobicContact CG2-CD1 3.74Å; I925-L1137 HydrophobicContact CD1-CD2 4.18Å; I925-L1137 HydrophobicContact CG2-CD2 3.64Å; L1131-L1137 HydrophobicContact CD1-CD2 4.38Å; L1131-L1137 HydrophobicContact CD2-CB 4.4Å; L1131-L1137 HydrophobicContact CD2-CD2 4.08Å; L1131-L1137 HydrophobicContact CD2-CG 4.26Å; L1131-L1137 HydrophobicContact CG-CB 4.24Å; L1131-L1137 HydrophobicContact CG-CD2 4.44Å; L1131-L1137 WeakPolarHBondContact CG-O 3.45Å; V1132-L1137 WeakPolarHBondContact CA-O 3.21Å; V1132-L1137 WeakPolarHBondContact CG2-O 3.4Å; V1132-L1137 PolarHBondContact N-O 3.15Å; T1135-L1137 PolarHBondContact O-N 3.45Å; T1135-L1137 VanDerWaalsContact OG1-CB 3.25Å; T1135-L1137 WeakPolarHBondContact OG1-CB 3.31Å; T1135-L1137 PolarHBondContact OG1-N 2.74Å; T1135-L1137 VanDerWaalsContact OG1-N 3.17Å; L1137-I1139 HydrophobicContact CD2-CD1 4.47Å; L1137-I1139 HydrophobicContact CG-CG1 4.45Å
1138	L	56.8	Low	53	Low	18 Å²	18	43.9 Å²	43.9	9%	0.094	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	117.8	174.8	177.3	67	0	0	0	110.3	L717 V887 I888 V889 V1132	L717-L1138 HydrophobicContact CD2-CD2 4.21Å; V887-L1138 PolarHBondContact O-N 3.01Å; I888-L1138 CarbonylContact C-O 3.5Å; I888-L1138 WeakPolarHBondContact CA-O 3.11Å; I888-L1138 HydrophobicContact CD1-CD2 4.41Å; I888-L1138 HydrophobicContact CG1-CB 4.17Å; I888-L1138 HydrophobicContact CG1-CD2 4.12Å; I888-L1138 HydrophobicContact CG2-CD2 4.25Å; V889-L1138 PolarHBondContact N-O 3.49Å; V1132-L1138 HydrophobicContact CG2-CB 3.92Å; V1132-L1138 HydrophobicContact CG2-CD1 3.59Å; V1132-L1138 HydrophobicContact CG2-CG 4.37Å
1139	I	63.5	Low	51.4	Low	3 Å²	3	49.2 Å²	49.2	2%	0.015	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	106.9	172.5	-55.4	173.4	0	0	0	108	V889 I896 I925 L1131 L1137 N1141 L1142	V889-I1139 HydrophobicContact CB-CG1 4.21Å; V889-I1139 WeakPolarHBondContact O-CA 3.24Å; I896-I1139 HydrophobicContact CD1-CG2 3.64Å; I925-I1139 HydrophobicContact CD1-CD1 3.97Å; L1131-I1139 HydrophobicContact CD2-CD1 3.74Å; L1131-I1139 HydrophobicContact CD2-CG1 3.95Å; L1137-I1139 HydrophobicContact CD2-CD1 4.47Å; L1137-I1139 HydrophobicContact CG-CG1 4.45Å; I1139-N1141 VanDerWaalsContact C-N 3.31Å; I1139-N1141 PolarHBondContact O-N 3.29Å; I1139-L1142 HydrophobicContact CB-CD1 3.89Å; I1139-L1142 HydrophobicContact CB-CG 4.02Å; I1139-L1142 HydrophobicContact CD1-CD1 3.99Å; I1139-L1142 HydrophobicContact CG1-CD1 4.42Å; I1139-L1142 HydrophobicContact CG2-CD1 4.32Å; I1139-L1142 HydrophobicContact CG2-CG 4Å; I1139-L1142 WeakPolarHBondContact O-CB 3.38Å; I1139-L1142 PolarHBondContact O-N 3.44Å; I1139-L1142 VanDerWaalsContact O-N 3.08Å
1140	V	51.2	Low	50	Low	27 Å²	27	53 Å²	53	16%	0.164	26%	0.256	C	S	.	.	G	3₁₀ helix	trans	-61.3	-38.9	-168.5	-178.3	0	0	0	0	112.4	I888 V889 T890 Y1090 L1142 I1143	I888-V1140 HydrophobicContact CG2-CG2 4Å; V889-V1140 PolarHBondContact O-N 3.12Å; V889-V1140 VanDerWaalsContact O-N 3.1Å; T890-V1140 HydrophobicContact CG2-CG2 4.08Å; Y1090-V1140 WeakPolarHBondContact OH-CG1 3.39Å; V1140-L1142 PolarHBondContact O-N 3.47Å; V1140-L1142 VanDerWaalsContact O-N 3.14Å; V1140-I1143 HydrophobicContact CG1-CD1 4.33Å; V1140-I1143 WeakPolarHBondContact O-CB 3.49Å; V1140-I1143 WeakPolarHBondContact O-CG1 3.38Å; V1140-I1143 PolarHBondContact O-N 3.35Å; V1140-I1143 VanDerWaalsContact O-N 3.07Å
1141	N	52.5	Low	48.4	Very low	48 Å²	48	60 Å²	60	26%	0.257	28%	0.282	S	S	.	.	G	3₁₀ helix	trans	-66.1	-16.9	-179.4	-79.4	11	0	0	0	114.1	P892 I893 I1139 I1143	P892-N1141 WeakPolarHBondContact CA-ND2 3.36Å; I893-N1141 HydrophobicContact CB-CB 4.37Å; I1139-N1141 VanDerWaalsContact C-N 3.31Å; I1139-N1141 PolarHBondContact O-N 3.29Å; N1141-I1143 PolarHBondContact O-N 2.94Å
1142	L	55.1	Low	46.6	Very low	7 Å²	7	62.7 Å²	62.7	4%	0.037	31%	0.311	C	S	.	.	G	3₁₀ helix	trans	-73.9	-13.8	174.6	-67.7	-180	0	0	0	113.3	I893 V1123 W1128 L1131 I1139 V1140 Q1144 N1145	I893-L1142 HydrophobicContact CD1-CD2 3.51Å; I893-L1142 HydrophobicContact CG1-CD2 4.49Å; V1123-L1142 HydrophobicContact CB-CD2 4.44Å; V1123-L1142 HydrophobicContact CG1-CD2 4.11Å; V1123-L1142 HydrophobicContact CG2-CD2 3.98Å; W1128-L1142 HydrophobicContact CB-CB 3.73Å; W1128-L1142 HydrophobicContact CB-CD1 4.44Å; L1131-L1142 HydrophobicContact CD2-CD1 4.42Å; I1139-L1142 HydrophobicContact CB-CD1 3.89Å; I1139-L1142 HydrophobicContact CB-CG 4.02Å; I1139-L1142 HydrophobicContact CD1-CD1 3.99Å; I1139-L1142 HydrophobicContact CG1-CD1 4.42Å; I1139-L1142 HydrophobicContact CG2-CD1 4.32Å; I1139-L1142 HydrophobicContact CG2-CG 4Å; I1139-L1142 WeakPolarHBondContact O-CB 3.38Å; I1139-L1142 PolarHBondContact O-N 3.44Å; I1139-L1142 VanDerWaalsContact O-N 3.08Å; V1140-L1142 PolarHBondContact O-N 3.47Å; V1140-L1142 VanDerWaalsContact O-N 3.14Å; L1142-Q1144 PolarHBondContact O-N 2.94Å; L1142-N1145 WeakPolarHBondContact CD2-ND2 3.33Å; L1142-N1145 WeakPolarHBondContact O-CB 3.42Å; L1142-N1145 PolarHBondContact O-N 2.85Å
1143	I	45.7	Very low	45.1	Very low	41 Å²	41	67.3 Å²	67.3	21%	0.21	34%	0.344	C	S	.	.	G	3₁₀ helix	trans	-67.3	-25.8	177.7	-59.9	173.1	0	0	0	110.8	A715 W1128 V1140 N1141 N1145	A715-I1143 HydrophobicContact CB-CD1 3.85Å; W1128-I1143 HydrophobicContact CD2-CG1 4.36Å; V1140-I1143 HydrophobicContact CG1-CD1 4.33Å; V1140-I1143 WeakPolarHBondContact O-CB 3.49Å; V1140-I1143 WeakPolarHBondContact O-CG1 3.38Å; V1140-I1143 PolarHBondContact O-N 3.35Å; V1140-I1143 VanDerWaalsContact O-N 3.07Å; N1141-I1143 PolarHBondContact O-N 2.94Å; I1143-N1145 PolarHBondContact O-N 3.2Å
1144	Q	43	Very low	43.7	Very low	108 Å²	108	71 Å²	71	51%	0.505	35%	0.354	S	S	.	.	G	3₁₀ helix	trans	-72.7	-7.6	-178	-63.8	-175.6	-8.6	0	0	114.5	L1142 E1146	L1142-Q1144 PolarHBondContact O-N 2.94Å; Q1144-E1146 PolarHBondContact O-N 3.5Å
1145	N	42.2	Very low	42.1	Very low	19 Å²	19	75.8 Å²	75.8	10%	0.102	38%	0.377	C	S	.	.	G	3₁₀ helix	trans	-82.3	9.8	-160.6	-89.3	-23.4	0	0	0	117.6	N1104 L1142 I1143 N1147	N1104-N1145 PolarHBondContact OD1-OD1 3.42Å; N1104-N1145 VanDerWaalsContact OD1-OD1 3.09Å; L1142-N1145 WeakPolarHBondContact CD2-ND2 3.33Å; L1142-N1145 WeakPolarHBondContact O-CB 3.42Å; L1142-N1145 PolarHBondContact O-N 2.85Å; I1143-N1145 PolarHBondContact O-N 3.2Å; N1145-N1147 PolarHBondContact O-N 3.08Å
1146	E	34	Very low	40.4	Very low	47 Å²	47	83.8 Å²	83.8	22%	0.22	41%	0.414	C	S	.	.	G	3₁₀ helix	trans	-82.7	-4.6	-168.8	-72	-132.9	179	0	0	117	R1125 Q1144	R1125-E1146 HydrophobicContact CG-CG 4.05Å; R1125-E1146 IonicContact CZ-OE2 3.04Å; R1125-E1146 IonicContact NE-OE2 2.88Å; R1125-E1146 PolarHBondContact NE-OE2 3.31Å; R1125-E1146 IonicContact NH2-OE2 2.86Å; R1125-E1146 PolarHBondContact NH2-OE2 3.16Å; Q1144-E1146 PolarHBondContact O-N 3.5Å
1147	N	29.4	Very low	38.8	Very low	135 Å²	135	90.4 Å²	90.4	72%	0.722	45%	0.448	S	S	*	.	G	3₁₀ helix	trans	-123.8	22.4	-164.4	-74.3	-15.5	0	0	0	118.7	N1145	N1145-N1147 PolarHBondContact O-N 3.08Å
1148	Y	26.4	Very low	37.1	Very low	105 Å²	105	96.6 Å²	96.6	41%	0.412	49%	0.49	S	S	.	.			trans	-99.8	120.1	178.8	-136	-111.6	0	0	0	114.3	N1104 D1150	N1104-Y1148 WeakPolarHBondContact ND2-CB 3.2Å; N1104-Y1148 WeakPolarHBondContact ND2-CD2 3.31Å; Y1148-D1150 HydrophobicContact CD1-CB 4.24Å; Y1148-D1150 HydrophobicContact CE1-CB 3.86Å
1149	I	28.3	Very low	35.5	Very low	131 Å²	131	102.6 Å²	102.6	67%	0.672	52%	0.521	S	S	*	.			trans	-127.7	105.8	155.5	-54.3	176.2	0	0	0	107.1	Y1151	I1149-Y1151 HydrophobicContact CB-CD2 4.18Å; I1149-Y1151 HydrophobicContact CB-CE2 3.99Å; I1149-Y1151 HydrophobicContact CG2-CD2 3.56Å; I1149-Y1151 HydrophobicContact CG2-CE2 3.27Å; I1149-Y1151 HydrophobicContact CG2-CG 4.43Å; I1149-Y1151 PolarHBondContact O-N 3.14Å
1150	D	26.2	Very low	33.5	Very low	108 Å²	108	109.8 Å²	109.8	58%	0.578	56%	0.555	S	S	*	*			trans	-76.1	105.9	173.9	-170.4	-3	0	0	0	110	Y1148 G1152	Y1148-D1150 HydrophobicContact CD1-CB 4.24Å; Y1148-D1150 HydrophobicContact CE1-CB 3.86Å; D1150-G1152 PolarHBondContact OD1-N 3.49Å
1151	Y	30.9	Very low	32.3	Very low	190 Å²	190	116.8 Å²	116.8	75%	0.745	59%	0.589	S	S	*	*			trans	-91.1	11.1	177	-89.4	-78.4	0	0	0	113.5	I1149 S1153	I1149-Y1151 HydrophobicContact CB-CD2 4.18Å; I1149-Y1151 HydrophobicContact CB-CE2 3.99Å; I1149-Y1151 HydrophobicContact CG2-CD2 3.56Å; I1149-Y1151 HydrophobicContact CG2-CE2 3.27Å; I1149-Y1151 HydrophobicContact CG2-CG 4.43Å; I1149-Y1151 PolarHBondContact O-N 3.14Å; Y1151-S1153 PolarHBondContact O-N 3.14Å
1152	G	29.5	Very low	30.9	Very low	60 Å²	60	120 Å²	120	62%	0.619	61%	0.607	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.8	-22.2	-173.7	0	0	0	0	0	116.9	D1150	D1150-G1152 PolarHBondContact OD1-N 3.49Å
1153	S	28.1	Very low	29.4	Very low	106 Å²	106	125.8 Å²	125.8	74%	0.741	64%	0.637	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.6	8	-165.1	65.6	0	0	0	0	116.9	Y1151	Y1151-S1153 PolarHBondContact O-N 3.14Å
1154	R	26.8	Very low	28.4	Very low	223 Å²	223	130.5 Å²	130.5	84%	0.842	66%	0.658	S	S	*	*			trans	-98.9	22.2	178.6	-80.8	-167.6	178.7	-168.3	1.7	115.6
1155	K	28.6	Very low	27.7	Very low	204 Å²	204	133.6 Å²	133.6	89%	0.887	68%	0.676	S	S	*	*			trans	-84.9	0.7	176.3	-103.6	-173.4	-179.5	179.9	0	115.8
1156	E	27.5	Very low	26.9	Very low	170 Å²	170	139.4 Å²	139.4	79%	0.794	71%	0.708	S	S	*	*	S	Bend	trans	-110.5	124.7	170.8	-68	-176.7	172	0	0	109.6
1157	N	27	Very low	26.6	Very low	147 Å²	147	140.3 Å²	140.3	79%	0.786	73%	0.73	S	S	*	*			trans	106.4	20.7	174	-52.2	-28.2	0	0	0	118.9	L1159	N1157-L1159 VanDerWaalsContact C-N 3.27Å; N1157-L1159 PolarHBondContact O-N 3.05Å
1158	C	25.4	Very low	26.3	Very low	131 Å²	131	140.6 Å²	140.6	89%	0.885	73%	0.73	S	S	*	*			trans	-86	78.1	153	-75.8	0	0	0	0	109.6	H1160	C1158-H1160 PolarHBondContact O-N 3.44Å
1159	L	23.1	Very low	26.4	Very low	144 Å²	144	140.4 Å²	140.4	75%	0.754	74%	0.74	S	S	*	*			trans	-53.3	125.6	166.7	-86	152.2	0	0	0	110.7	N1157 I1161	N1157-L1159 VanDerWaalsContact C-N 3.27Å; N1157-L1159 PolarHBondContact O-N 3.05Å; L1159-I1161 PolarHBondContact O-N 3.08Å
1160	H	23.4	Very low	26.5	Very low	155 Å²	155	140.1 Å²	140.1	72%	0.718	75%	0.745	S	S	*	*			trans	5.6	101.3	153.6	-72.5	-82.6	0	0	0	117.2	C1158	C1158-H1160 PolarHBondContact O-N 3.44Å
1161	I	25.6	Very low	26.6	Very low	173 Å²	173	139.1 Å²	139.1	89%	0.887	75%	0.746	S	S	*	*			trans	-116.8	98.3	142.8	-60.8	179.8	0	0	0	106.4	L1159	L1159-I1161 PolarHBondContact O-N 3.08Å
1162	N	22.9	Very low	26.5	Very low	117 Å²	117	136.1 Å²	136.1	63%	0.626	74%	0.739	S	S	*	*			trans	-59.5	132.4	174.3	-83.7	-24.6	0	0	0	111.4
1163	N	23.3	Very low	26.3	Very low	127 Å²	127	140 Å²	140	68%	0.679	74%	0.743	S	S	*	*			trans	63.3	133.8	131.9	-71.5	-8.8	0	0	0	122.5
1164	H	25.7	Very low	26.3	Very low	141 Å²	141	141.2 Å²	141.2	65%	0.653	74%	0.739	S	S	*	*			trans	78.9	82.1	149.8	-66.6	-56.2	0	0	0	118.8
1165	I	26.6	Very low	26.1	Very low	172 Å²	172	141 Å²	141	88%	0.882	74%	0.74	S	S	*	*				-131.8	93.5	127.8	-58.1	-177.7	0	0	0	107.6
1166	N	26.8	Very low	25.9	Very low	142 Å²	142	137 Å²	137	76%	0.759	73%	0.733	S	S	*	*			trans	-70.8	139.8	162.8	-77.5	-19	0	0	0	108.6
1167	G	26.3	Very low	25.8	Very low	66 Å²	66	133 Å²	133	68%	0.68	72%	0.723	S	S	*	*			trans	117.4	64.8	156.1	0	0	0	0	0	115.7
1168	L	23.4	Very low	25.5	Very low	141 Å²	141	133.1 Å²	133.1	74%	0.738	72%	0.724	S	S	*	*			trans	-127.4	114.3	147.6	-77.7	168.7	0	0	0	107.6	E1172	L1168-E1172 WeakPolarHBondContact CD2-OE2 3.49Å
1169	T	28.2	Very low	25.6	Very low	101 Å²	101	132.2 Å²	132.2	62%	0.62	72%	0.717	S	S	*	*			trans	-70.7	150.8	-173.9	45.3	0	0	0	0	111.2	S1171 E1172	T1169-S1171 PolarHBondContact O-N 2.88Å; T1169-E1172 PolarHBondContact O-N 3.02Å; T1169-E1172 VanDerWaalsContact O-N 3.16Å
1170	T	31.6	Very low	25.7	Very low	125 Å²	125	132.2 Å²	132.2	77%	0.767	72%	0.717	S	S	*	*	T	Hydrogen-bonded Turn	trans	-51.3	-7.6	-174.7	-8.1	0	0	0	0	116.3
1171	S	28.6	Very low	25.7	Very low	86 Å²	86	134 Å²	134	60%	0.601	73%	0.725	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.1	-18.9	175.4	47.5	0	0	0	0	114.5	T1169	T1169-S1171 PolarHBondContact O-N 2.88Å
1172	E	27.1	Very low	25.8	Very low	128 Å²	128	134 Å²	134	60%	0.598	72%	0.715	S	S	*	*	S	Bend	trans	-88.9	-9.4	177.7	-74.6	-169.4	167	0	0	114.4	L1168 T1169	L1168-E1172 WeakPolarHBondContact CD2-OE2 3.49Å; T1169-E1172 PolarHBondContact O-N 3.02Å; T1169-E1172 VanDerWaalsContact O-N 3.16Å
1173	M	27	Very low	26.4	Very low	142 Å²	142	132.2 Å²	132.2	70%	0.7	71%	0.712	S	S	*	*	S	Bend	trans	-83.1	-15.1	178.6	-77.4	-170.5	74.4	0	0	114.8	Y1175 T1176	M1173-Y1175 VanDerWaalsContact C-N 3.35Å; M1173-Y1175 PolarHBondContact O-N 2.9Å; M1173-T1176 PolarHBondContact O-OG1 2.93Å
1174	I	26.5	Very low	26.7	Very low	131 Å²	131	128.7 Å²	128.7	67%	0.672	71%	0.706	S	S	*	*	G	3₁₀ helix	trans	-79.6	-14	-175.2	-62.7	179.6	0	0	0	113.3
1175	Y	24	Very low	26.9	Very low	217 Å²	217	128.9 Å²	128.9	85%	0.851	71%	0.709	S	S	*	*	G	3₁₀ helix	trans	-93.6	8.8	175.7	-84.4	-77.2	0	0	0	115.4	M1173	M1173-Y1175 VanDerWaalsContact C-N 3.35Å; M1173-Y1175 PolarHBondContact O-N 2.9Å
1176	T	24.9	Very low	27.3	Very low	122 Å²	122	124.3 Å²	124.3	75%	0.748	69%	0.686	S	S	*	*	G	3₁₀ helix	trans	-103.5	3.7	175.1	56.1	0	0	0	0	115.1	M1173	M1173-T1176 PolarHBondContact O-OG1 2.93Å
1177	S	23.9	Very low	27.8	Very low	84 Å²	84	119.7 Å²	119.7	59%	0.587	67%	0.667	S	S	*	*			trans	-126.9	69.8	175.9	57.3	0	0	0	0	111.1
1178	N	21.4	Very low	28.3	Very low	150 Å²	150	119 Å²	119	80%	0.802	65%	0.65	S	S	*	*			trans	-134.1	84	153.9	-118.4	-11.7	0	0	0	107.2	L1180	N1178-L1180 VanDerWaalsContact C-N 3.33Å; N1178-L1180 PolarHBondContact O-N 3.2Å
1179	P	26.5	Very low	29.1	Very low	113 Å²	113	116 Å²	116	73%	0.734	64%	0.637	S	S	*	*			trans	-68	99.6	172	28.5	-28.1	0	0	0	106.5	H1181	P1179-H1181 PolarHBondContact O-N 2.87Å
1180	L	25.5	Very low	29.8	Very low	144 Å²	144	113.3 Å²	113.3	75%	0.754	62%	0.623	S	S	*	*			trans	-56.7	111.2	175	-78.2	162.7	0	0	0	108.5	N1178 Y1182	N1178-L1180 VanDerWaalsContact C-N 3.33Å; N1178-L1180 PolarHBondContact O-N 3.2Å; L1180-Y1182 PolarHBondContact O-N 3.34Å
1181	H	24.2	Very low	30.3	Very low	193 Å²	193	107.7 Å²	107.7	89%	0.894	59%	0.588	S	S	*	*			trans	-27.5	111.6	165.7	-82.2	-99.6	0	0	0	112.7	P1179	P1179-H1181 PolarHBondContact O-N 2.87Å
1182	Y	26.7	Very low	30.9	Very low	172 Å²	172	105.8 Å²	105.8	68%	0.675	57%	0.573	S	S	*	*			trans	-124.9	129.3	160.7	-94.1	-83.8	0	0	0	109.7	L1180	L1180-Y1182 PolarHBondContact O-N 3.34Å
1183	S	35.3	Very low	31.7	Very low	80 Å²	80	104.8 Å²	104.8	56%	0.559	57%	0.568	S	S	*	*	S	Bend	trans	76.1	22.5	155.3	78.1	0	0	0	0	121.9
1184	G	30.6	Very low	32.6	Very low	53 Å²	53	100 Å²	100	55%	0.546	55%	0.552	S	S	.	*	H	α-helix	trans	-68.2	-45	159	0	0	0	0	0	112.2	A1187 V1188	G1184-A1187 PolarHBondContact O-N 3.38Å; G1184-V1188 VanDerWaalsContact O-CG2 3.25Å; G1184-V1188 WeakPolarHBondContact O-CG2 3.37Å; G1184-V1188 PolarHBondContact O-N 3.26Å; G1184-V1188 VanDerWaalsContact O-N 3.12Å
1185	M	29.8	Very low	33.4	Very low	145 Å²	145	93.8 Å²	93.8	71%	0.714	52%	0.52	S	S	*	.	H	α-helix	trans	-65.6	-41.1	-177.1	-73.6	-67.7	-84.7	0	0	112.7	A1187 V1188 T1189	M1185-A1187 VanDerWaalsContact C-N 3.34Å; M1185-A1187 PolarHBondContact O-N 3.15Å; M1185-V1188 PolarHBondContact O-N 2.8Å; M1185-T1189 PolarHBondContact O-N 2.86Å; M1185-T1189 PolarHBondContact O-OG1 3.25Å
1186	D	35.4	Very low	34.4	Very low	76 Å²	76	87.2 Å²	87.2	41%	0.406	50%	0.499	S	S	.	.	H	α-helix	trans	-65.8	-36.2	-178.7	-66.4	-20.9	0	0	0	113.4	S1190	D1186-S1190 VanDerWaalsContact O-CB 3.28Å; D1186-S1190 WeakPolarHBondContact O-CB 3.33Å; D1186-S1190 PolarHBondContact O-N 2.9Å; D1186-S1190 PolarHBondContact O-OG 3.13Å
1187	A	37.3	Very low	35.4	Very low	44 Å²	44	87.7 Å²	87.7	36%	0.364	49%	0.493	S	S	.	.	H	α-helix	trans	-65.8	-49.1	173.5	0	0	0	0	0	109.7	G1184 M1185 T1189 S1190 S1191	G1184-A1187 PolarHBondContact O-N 3.38Å; M1185-A1187 VanDerWaalsContact C-N 3.34Å; M1185-A1187 PolarHBondContact O-N 3.15Å; A1187-T1189 PolarHBondContact O-N 3.45Å; A1187-S1190 PolarHBondContact O-N 3.28Å; A1187-S1191 WeakPolarHBondContact O-CB 3.19Å; A1187-S1191 PolarHBondContact O-N 3.05Å; A1187-S1191 PolarHBondContact O-OG 3.32Å
1188	V	35.6	Very low	36.5	Very low	52 Å²	52	86.5 Å²	86.5	32%	0.315	48%	0.479	S	S	.	.	H	α-helix	trans	-58.2	-47.5	177.4	174.6	0	0	0	0	111.7	L690 G1184 M1185 S1190 S1191 V1192	L690-V1188 HydrophobicContact CD2-CG2 3.91Å; G1184-V1188 VanDerWaalsContact O-CG2 3.25Å; G1184-V1188 WeakPolarHBondContact O-CG2 3.37Å; G1184-V1188 PolarHBondContact O-N 3.26Å; G1184-V1188 VanDerWaalsContact O-N 3.12Å; M1185-V1188 PolarHBondContact O-N 2.8Å; V1188-S1190 VanDerWaalsContact C-N 3.34Å; V1188-S1190 PolarHBondContact O-N 2.85Å; V1188-S1191 PolarHBondContact O-N 2.77Å; V1188-V1192 HydrophobicContact CG1-CG2 4.41Å; V1188-V1192 WeakPolarHBondContact O-CB 3.07Å; V1188-V1192 VanDerWaalsContact O-CG2 3.25Å; V1188-V1192 WeakPolarHBondContact O-CG2 3.46Å; V1188-V1192 PolarHBondContact O-N 3.2Å
1189	T	41.4	Very low	37.6	Very low	78 Å²	78	80 Å²	80	48%	0.479	45%	0.446	S	S	.	.	H	α-helix	trans	-64.5	-39	178.8	-47.1	0	0	0	0	111.5	M1185 A1187 V1192 Q1193	M1185-T1189 PolarHBondContact O-N 2.86Å; M1185-T1189 PolarHBondContact O-OG1 3.25Å; A1187-T1189 PolarHBondContact O-N 3.45Å; T1189-V1192 PolarHBondContact O-N 2.89Å; T1189-Q1193 WeakPolarHBondContact O-CB 3.16Å; T1189-Q1193 PolarHBondContact O-N 2.73Å
1190	S	43.1	Very low	38.6	Very low	44 Å²	44	77 Å²	77	31%	0.308	42%	0.424	S	S	.	.	H	α-helix	trans	-67	-42.7	176	-58.4	0	0	0	0	112	D1186 A1187 V1188 Q1193 A1194	D1186-S1190 VanDerWaalsContact O-CB 3.28Å; D1186-S1190 WeakPolarHBondContact O-CB 3.33Å; D1186-S1190 PolarHBondContact O-N 2.9Å; D1186-S1190 PolarHBondContact O-OG 3.13Å; A1187-S1190 PolarHBondContact O-N 3.28Å; V1188-S1190 VanDerWaalsContact C-N 3.34Å; V1188-S1190 PolarHBondContact O-N 2.85Å; S1190-Q1193 PolarHBondContact O-N 3.06Å; S1190-A1194 WeakPolarHBondContact O-CB 3.32Å; S1190-A1194 PolarHBondContact O-N 3.35Å
1191	S	41.5	Very low	39.5	Very low	7 Å²	7	73.6 Å²	73.6	5%	0.049	41%	0.406	C	S	.	.	H	α-helix	trans	-62.4	-41.3	174.6	-60.5	0	0	0	0	111.8	D689 A1187 V1188 G1195	D689-S1191 VanDerWaalsContact CB-CB 3.48Å; D689-S1191 WeakPolarHBondContact CB-OG 3.48Å; D689-S1191 PolarHBondContact O-OG 2.8Å; A1187-S1191 WeakPolarHBondContact O-CB 3.19Å; A1187-S1191 PolarHBondContact O-N 3.05Å; A1187-S1191 PolarHBondContact O-OG 3.32Å; V1188-S1191 PolarHBondContact O-N 2.77Å; S1191-G1195 PolarHBondContact O-N 3.14Å
1192	V	40.5	Very low	40.5	Very low	46 Å²	46	64.8 Å²	64.8	28%	0.279	37%	0.366	S	S	.	.	H	α-helix	trans	-60.9	-45.8	173.9	163.3	0	0	0	0	111.1	F682 V686 V1188 T1189 L1196	F682-V1192 HydrophobicContact CE2-CG1 4.46Å; F682-V1192 HydrophobicContact CZ-CG1 4.01Å; F682-V1192 HydrophobicContact CZ-CG2 4.48Å; V686-V1192 HydrophobicContact CG1-CG2 4.4Å; V686-V1192 HydrophobicContact CG2-CG2 4.19Å; V1188-V1192 HydrophobicContact CG1-CG2 4.41Å; V1188-V1192 WeakPolarHBondContact O-CB 3.07Å; V1188-V1192 VanDerWaalsContact O-CG2 3.25Å; V1188-V1192 WeakPolarHBondContact O-CG2 3.46Å; V1188-V1192 PolarHBondContact O-N 3.2Å; T1189-V1192 PolarHBondContact O-N 2.89Å; V1192-L1196 WeakPolarHBondContact O-CB 3.47Å; V1192-L1196 PolarHBondContact O-N 3.14Å
1193	Q	44.4	Very low	41.3	Very low	107 Å²	107	59.9 Å²	59.9	50%	0.5	35%	0.351	S	S	.	.	H	α-helix	trans	-67.3	-43.8	-179.8	-162	79.7	1.8	0	0	112.1	T1189 S1190 L1196 E1197	T1189-Q1193 WeakPolarHBondContact O-CB 3.16Å; T1189-Q1193 PolarHBondContact O-N 2.73Å; S1190-Q1193 PolarHBondContact O-N 3.06Å; Q1193-L1196 WeakPolarHBondContact O-CB 3.44Å; Q1193-L1196 PolarHBondContact O-N 3.49Å; Q1193-E1197 PolarHBondContact O-N 3.27Å
1194	A	46.6	Very low	41.6	Very low	42 Å²	42	65.2 Å²	65.2	35%	0.347	36%	0.359	S	S	.	.	H	α-helix	trans	-64.7	-45.5	178.1	0	0	0	0	0	111.6	D689 S1190 L1196 E1197 L1198	D689-A1194 WeakPolarHBondContact OD2-CB 3.38Å; S1190-A1194 WeakPolarHBondContact O-CB 3.32Å; S1190-A1194 PolarHBondContact O-N 3.35Å; A1194-L1196 VanDerWaalsContact C-N 3.28Å; A1194-L1196 PolarHBondContact O-N 3.49Å; A1194-E1197 PolarHBondContact O-N 3.08Å; A1194-L1198 WeakPolarHBondContact O-CB 3.44Å; A1194-L1198 PolarHBondContact O-N 3.25Å
1195	G	43.6	Very low	42.1	Very low	0 Å²	0	66.7 Å²	66.7	0%	0	35%	0.354	C	S	.	.	H	α-helix	trans	-59.1	-36.5	172.5	0	0	0	0	0	113.3	S1191 A1199	S1191-G1195 PolarHBondContact O-N 3.14Å; G1195-A1199 WeakPolarHBondContact O-CB 3.36Å; G1195-A1199 PolarHBondContact O-N 3.13Å
1196	L	44.7	Very low	42.5	Very low	80 Å²	80	62.6 Å²	62.6	42%	0.419	34%	0.335	S	S	.	.	H	α-helix	trans	-68.7	-42.7	175.8	-167.2	78.4	0	0	0	112.5	F682 V1192 Q1193 A1194 L1198 A1199 N1200	F682-L1196 HydrophobicContact CD2-CD1 4.45Å; F682-L1196 HydrophobicContact CE2-CB 4.15Å; F682-L1196 HydrophobicContact CE2-CD1 4.23Å; V1192-L1196 WeakPolarHBondContact O-CB 3.47Å; V1192-L1196 PolarHBondContact O-N 3.14Å; Q1193-L1196 WeakPolarHBondContact O-CB 3.44Å; Q1193-L1196 PolarHBondContact O-N 3.49Å; A1194-L1196 VanDerWaalsContact C-N 3.28Å; A1194-L1196 PolarHBondContact O-N 3.49Å; L1196-L1198 VanDerWaalsContact C-N 3.35Å; L1196-A1199 PolarHBondContact O-N 2.9Å; L1196-N1200 WeakPolarHBondContact O-CB 3.4Å; L1196-N1200 PolarHBondContact O-N 2.77Å; L1196-N1200 PolarHBondContact O-ND2 2.88Å
1197	E	45.9	Very low	42.5	Very low	132 Å²	132	63.1 Å²	63.1	62%	0.617	34%	0.342	S	S	*	.	H	α-helix	trans	-63	-42.2	175.3	-76.4	-176	179.5	0	0	111.4	Q1193 A1194 N1200 L1201	Q1193-E1197 PolarHBondContact O-N 3.27Å; A1194-E1197 PolarHBondContact O-N 3.08Å; E1197-N1200 WeakPolarHBondContact O-CB 3.49Å; E1197-N1200 PolarHBondContact O-N 3.44Å; E1197-L1201 PolarHBondContact O-N 2.91Å
1198	L	45.4	Very low	42.4	Very low	59 Å²	59	66.1 Å²	66.1	31%	0.309	35%	0.348	S	S	.	.	H	α-helix	trans	-65.9	-40.9	177.6	-142.7	74.2	0	0	0	111.5	Y681 V1023 A1194 L1196 N1200 L1201 T1202	Y681-L1198 HydrophobicContact CE1-CB 4.31Å; Y681-L1198 VanDerWaalsContact OH-CD2 3.28Å; Y681-L1198 WeakPolarHBondContact OH-CD2 3.43Å; Y681-L1198 WeakPolarHBondContact OH-CG 3.4Å; V1023-L1198 HydrophobicContact CG2-CD2 3.69Å; A1194-L1198 WeakPolarHBondContact O-CB 3.44Å; A1194-L1198 PolarHBondContact O-N 3.25Å; L1196-L1198 VanDerWaalsContact C-N 3.35Å; L1198-N1200 VanDerWaalsContact C-N 3.33Å; L1198-N1200 PolarHBondContact O-N 2.87Å; L1198-L1201 WeakPolarHBondContact O-CB 3.39Å; L1198-L1201 PolarHBondContact O-N 2.87Å; L1198-T1202 PolarHBondContact O-N 2.87Å; L1198-T1202 PolarHBondContact O-OG1 3.34Å
1199	A	45.7	Very low	42.2	Very low	12 Å²	12	70 Å²	70	10%	0.099	36%	0.357	C	S	.	.	H	α-helix	trans	-63.4	-40.1	175	0	0	0	0	0	111.4	Y681 G1195 L1196 T1202 L1203	Y681-A1199 HydrophobicContact CD1-CB 3.79Å; Y681-A1199 VanDerWaalsContact CE1-CA 3.49Å; Y681-A1199 HydrophobicContact CE1-CB 3.93Å; G1195-A1199 WeakPolarHBondContact O-CB 3.36Å; G1195-A1199 PolarHBondContact O-N 3.13Å; L1196-A1199 PolarHBondContact O-N 2.9Å; A1199-T1202 PolarHBondContact O-N 3.34Å; A1199-L1203 WeakPolarHBondContact O-CG 3.16Å; A1199-L1203 PolarHBondContact O-N 3.44Å
1200	N	46.6	Very low	41.8	Very low	50 Å²	50	71.6 Å²	71.6	27%	0.267	36%	0.363	S	S	.	.	H	α-helix	trans	-64	-39.5	173.5	-86	-35.9	0	0	0	112.6	L1196 E1197 L1198 L1203 R1204	L1196-N1200 WeakPolarHBondContact O-CB 3.4Å; L1196-N1200 PolarHBondContact O-N 2.77Å; L1196-N1200 PolarHBondContact O-ND2 2.88Å; E1197-N1200 WeakPolarHBondContact O-CB 3.49Å; E1197-N1200 PolarHBondContact O-N 3.44Å; L1198-N1200 VanDerWaalsContact C-N 3.33Å; L1198-N1200 PolarHBondContact O-N 2.87Å; N1200-L1203 WeakPolarHBondContact O-CB 3.42Å; N1200-L1203 PolarHBondContact O-N 3.38Å; N1200-R1204 WeakPolarHBondContact O-CG 3.22Å; N1200-R1204 PolarHBondContact O-N 3.16Å
1201	L	45.4	Very low	41.3	Very low	74 Å²	74	75.9 Å²	75.9	39%	0.387	38%	0.378	S	S	.	.	H	α-helix	trans	-61.9	-46.4	174.1	-166	89.5	0	0	0	110.6	E1197 L1198 L1203 R1204 L1205	E1197-L1201 PolarHBondContact O-N 2.91Å; L1198-L1201 WeakPolarHBondContact O-CB 3.39Å; L1198-L1201 PolarHBondContact O-N 2.87Å; L1201-L1203 VanDerWaalsContact C-N 3.3Å; L1201-L1203 PolarHBondContact O-N 2.96Å; L1201-R1204 WeakPolarHBondContact O-CB 3.35Å; L1201-R1204 PolarHBondContact O-N 3.36Å; L1201-L1205 WeakPolarHBondContact O-CG 3.2Å; L1201-L1205 PolarHBondContact O-N 2.7Å; L1201-L1205 VanDerWaalsContact O-N 3.17Å
1202	T	45.5	Very low	40.6	Very low	8 Å²	8	82.4 Å²	82.4	5%	0.049	41%	0.406	C	S	.	.	H	α-helix	trans	-58.4	-42.5	175.3	-48.9	0	0	0	0	111.4	Y681 S1009 L1011 L1198 A1199 R1204 L1205 L1206	Y681-T1202 PolarHBondContact OH-OG1 3.48Å; S1009-T1202 PolarHBondContact OG-OG1 3.41Å; L1011-T1202 HydrophobicContact CD1-CG2 4.37Å; L1011-T1202 HydrophobicContact CD2-CG2 3.89Å; L1011-T1202 HydrophobicContact CG-CG2 3.78Å; L1198-T1202 PolarHBondContact O-N 2.87Å; L1198-T1202 PolarHBondContact O-OG1 3.34Å; A1199-T1202 PolarHBondContact O-N 3.34Å; T1202-R1204 VanDerWaalsContact C-N 3.32Å; T1202-R1204 PolarHBondContact O-N 2.9Å; T1202-L1205 PolarHBondContact O-N 2.97Å; T1202-L1205 VanDerWaalsContact O-N 3.15Å; T1202-L1206 WeakPolarHBondContact O-CG 3.15Å; T1202-L1206 PolarHBondContact O-N 2.7Å
1203	L	43	Very low	40.1	Very low	69 Å²	69	87 Å²	87	36%	0.361	42%	0.424	S	S	.	.	H	α-helix	trans	-60.6	-37.2	174.1	-75.1	171.7	0	0	0	112.8	L678 A1199 N1200 L1201 L1205 L1206	L678-L1203 HydrophobicContact CD1-CD2 3.9Å; L678-L1203 HydrophobicContact CD2-CD2 3.69Å; L678-L1203 HydrophobicContact CD2-CG 4.02Å; L678-L1203 HydrophobicContact CG-CD2 4.46Å; A1199-L1203 WeakPolarHBondContact O-CG 3.16Å; A1199-L1203 PolarHBondContact O-N 3.44Å; N1200-L1203 WeakPolarHBondContact O-CB 3.42Å; N1200-L1203 PolarHBondContact O-N 3.38Å; L1201-L1203 VanDerWaalsContact C-N 3.3Å; L1201-L1203 PolarHBondContact O-N 2.96Å; L1203-L1205 VanDerWaalsContact C-N 3.28Å; L1203-L1205 PolarHBondContact O-N 2.88Å; L1203-L1206 HydrophobicContact CD2-CD1 4.04Å; L1203-L1206 PolarHBondContact O-N 2.75Å
1204	R	42.3	Very low	39.6	Very low	192 Å²	192	85.7 Å²	85.7	73%	0.725	43%	0.426	S	S	*	.	H	α-helix	trans	-69.1	-24.2	176.4	-72.8	178.2	-176.5	-179.3	2.6	113.3	N1200 L1201 T1202 P1207	N1200-R1204 WeakPolarHBondContact O-CG 3.22Å; N1200-R1204 PolarHBondContact O-N 3.16Å; L1201-R1204 WeakPolarHBondContact O-CB 3.35Å; L1201-R1204 PolarHBondContact O-N 3.36Å; T1202-R1204 VanDerWaalsContact C-N 3.32Å; T1202-R1204 PolarHBondContact O-N 2.9Å; R1204-P1207 WeakPolarHBondContact O-CD 3.39Å; R1204-P1207 WeakPolarHBondContact O-CG 3.44Å
1205	L	40.7	Very low	38.8	Very low	84 Å²	84	90.8 Å²	90.8	44%	0.44	44%	0.441	S	S	.	.	H	α-helix	trans	-86.4	-10.8	177	-63.6	172.7	0	0	0	113.4	L1201 T1202 L1203 P1207	L1201-L1205 WeakPolarHBondContact O-CG 3.2Å; L1201-L1205 PolarHBondContact O-N 2.7Å; L1201-L1205 VanDerWaalsContact O-N 3.17Å; T1202-L1205 PolarHBondContact O-N 2.97Å; T1202-L1205 VanDerWaalsContact O-N 3.15Å; L1203-L1205 VanDerWaalsContact C-N 3.28Å; L1203-L1205 PolarHBondContact O-N 2.88Å; L1205-P1207 VanDerWaalsContact O-CD 3.28Å; L1205-P1207 WeakPolarHBondContact O-CD 3.24Å
1206	L	38.4	Very low	38	Very low	59 Å²	59	97 Å²	97	31%	0.309	47%	0.468	S	S	.	.			trans	-77.4	-2.8	177.5	-75.5	171.6	0	0	0	119.6	L1011 T1202 L1203 H1208 R1209	L1011-L1206 HydrophobicContact CD1-CD1 4.15Å; T1202-L1206 WeakPolarHBondContact O-CG 3.15Å; T1202-L1206 PolarHBondContact O-N 2.7Å; L1203-L1206 HydrophobicContact CD2-CD1 4.04Å; L1203-L1206 PolarHBondContact O-N 2.75Å; L1206-H1208 PolarHBondContact O-N 3.38Å; L1206-R1209 PolarHBondContact O-N 3.42Å
1207	P	34.5	Very low	37.5	Very low	86 Å²	86	97.1 Å²	97.1	56%	0.558	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	-13	-162.4	-24.8	29.9	0	0	0	117.5	R1204 L1205	R1204-P1207 WeakPolarHBondContact O-CD 3.39Å; R1204-P1207 WeakPolarHBondContact O-CG 3.44Å; L1205-P1207 VanDerWaalsContact O-CD 3.28Å; L1205-P1207 WeakPolarHBondContact O-CD 3.24Å
1208	H	35.1	Very low	36.9	Very low	107 Å²	107	94.3 Å²	94.3	50%	0.495	47%	0.47	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116.1	1.3	-174.6	-67.8	-61.7	0	0	0	116.7	L1206 F1212	L1206-H1208 PolarHBondContact O-N 3.38Å; H1208-F1212 WeakPolarHBondContact O-CD2 3.39Å
1209	R	32.6	Very low	36.3	Very low	135 Å²	135	97.3 Å²	97.3	51%	0.509	49%	0.486	S	S	.	.	H	α-helix	trans	-72.5	-36.6	179.6	-122.8	-178.2	179	-168.2	0.6	113.7	L1206	L1206-R1209 PolarHBondContact O-N 3.42Å
1210	N	32.5	Very low	35.5	Very low	111 Å²	111	102.2 Å²	102.2	59%	0.594	52%	0.515	S	S	*	.	H	α-helix	trans	-86.7	-23.5	-173	-74.1	-9.2	0	0	0	115.1	F1212 H1213	N1210-F1212 VanDerWaalsContact C-N 3.26Å; N1210-F1212 PolarHBondContact O-N 2.71Å; N1210-H1213 PolarHBondContact O-N 3.37Å
1211	Q	32.7	Very low	34.5	Very low	133 Å²	133	104 Å²	104	62%	0.621	53%	0.531	S	S	*	.	H	α-helix	trans	-71.5	-21.1	176.2	-83.8	-171.9	-3.9	0	0	113.2	K1215	Q1211-K1215 PolarHBondContact O-N 2.95Å
1212	F	27.5	Very low	33.7	Very low	144 Å²	144	105.8 Å²	105.8	63%	0.632	55%	0.545	S	S	*	.	H	α-helix	trans	-73.4	-35.6	175.6	-88.3	-83	0	0	0	112.7	H1208 N1210 S1214 F1216	H1208-F1212 WeakPolarHBondContact O-CD2 3.39Å; N1210-F1212 VanDerWaalsContact C-N 3.26Å; N1210-F1212 PolarHBondContact O-N 2.71Å; F1212-S1214 PolarHBondContact O-N 2.9Å; F1212-F1216 WeakPolarHBondContact O-CB 3.47Å; F1212-F1216 PolarHBondContact O-N 2.83Å
1213	H	29	Very low	32.8	Very low	143 Å²	143	112.9 Å²	112.9	66%	0.662	58%	0.583	S	S	*	*	H	α-helix	trans	-66.3	-38.4	179.9	-95.7	-71.5	0	0	0	113.6	N1210 S1217	N1210-H1213 PolarHBondContact O-N 3.37Å; H1213-S1217 WeakPolarHBondContact O-CB 3.38Å; H1213-S1217 PolarHBondContact O-N 2.71Å; H1213-S1217 PolarHBondContact O-OG 3.29Å
1214	S	33.9	Very low	32	Very low	79 Å²	79	118.3 Å²	118.3	55%	0.552	61%	0.606	S	S	*	*	H	α-helix	trans	-78.7	-36.1	-179.6	63	0	0	0	0	113	F1212 S1218	F1212-S1214 PolarHBondContact O-N 2.9Å; S1214-S1218 PolarHBondContact O-N 2.7Å; S1214-S1218 PolarHBondContact O-OG 3.39Å
1215	K	29.9	Very low	31.1	Very low	149 Å²	149	116 Å²	116	65%	0.648	61%	0.614	S	S	*	*	H	α-helix	trans	-74.6	-31.1	177.7	-115.9	178.2	-180	179.8	0	113.4	Q1211 S1218 L1219	Q1211-K1215 PolarHBondContact O-N 2.95Å; K1215-S1218 PolarHBondContact O-OG 3.02Å; K1215-S1218 VanDerWaalsContact O-OG 3.1Å; K1215-L1219 WeakPolarHBondContact O-CB 3.38Å; K1215-L1219 PolarHBondContact O-N 3.44Å
1216	F	27.2	Very low	30.4	Very low	132 Å²	132	118.2 Å²	118.2	58%	0.579	63%	0.63	S	S	*	*	H	α-helix	trans	-74.6	-34.6	174.9	-122.6	-88.4	0	0	0	112.1	F1212 S1218 L1219 V1220	F1212-F1216 WeakPolarHBondContact O-CB 3.47Å; F1212-F1216 PolarHBondContact O-N 2.83Å; F1216-S1218 VanDerWaalsContact C-N 3.26Å; F1216-S1218 PolarHBondContact O-N 2.77Å; F1216-L1219 PolarHBondContact O-N 2.81Å; F1216-V1220 HydrophobicContact CD1-CG2 4.08Å; F1216-V1220 HydrophobicContact CE1-CG2 4.35Å; F1216-V1220 PolarHBondContact O-N 3.44Å
1217	S	33.3	Very low	29.7	Very low	81 Å²	81	122.3 Å²	122.3	57%	0.566	65%	0.651	S	S	*	*	H	α-helix	trans	-66.4	-28.8	175.1	-56.1	0	0	0	0	112.4	H1213 S1221	H1213-S1217 WeakPolarHBondContact O-CB 3.38Å; H1213-S1217 PolarHBondContact O-N 2.71Å; H1213-S1217 PolarHBondContact O-OG 3.29Å; S1217-S1221 PolarHBondContact O-OG 3.25Å
1218	S	34.3	Very low	29	Very low	73 Å²	73	123.1 Å²	123.1	51%	0.51	66%	0.659	S	S	.	*	H	α-helix	trans	-85.3	-19.3	175.2	68.2	0	0	0	0	114.5	S1214 K1215 F1216	S1214-S1218 PolarHBondContact O-N 2.7Å; S1214-S1218 PolarHBondContact O-OG 3.39Å; K1215-S1218 PolarHBondContact O-OG 3.02Å; K1215-S1218 VanDerWaalsContact O-OG 3.1Å; F1216-S1218 VanDerWaalsContact C-N 3.26Å; F1216-S1218 PolarHBondContact O-N 2.77Å
1219	L	31.7	Very low	28.5	Very low	123 Å²	123	124.3 Å²	124.3	64%	0.644	67%	0.673	S	S	*	*	H	α-helix	trans	-87.1	-17.8	176.4	-96.2	149.6	0	0	0	113.7	K1215 F1216	K1215-L1219 WeakPolarHBondContact O-CB 3.38Å; K1215-L1219 PolarHBondContact O-N 3.44Å; F1216-L1219 PolarHBondContact O-N 2.81Å
1220	V	30.5	Very low	28.1	Very low	115 Å²	115	124.7 Å²	124.7	70%	0.697	69%	0.685	S	S	*	*	S	Bend	trans	-100.5	0.4	178.7	-178.3	0	0	0	0	113	F1216	F1216-V1220 HydrophobicContact CD1-CG2 4.08Å; F1216-V1220 HydrophobicContact CE1-CG2 4.35Å; F1216-V1220 PolarHBondContact O-N 3.44Å
1221	S	25.5	Very low	27.7	Very low	87 Å²	87	126.4 Å²	126.4	61%	0.608	70%	0.695	S	S	*	*			trans	-110.9	38.1	177.5	51.4	0	0	0	0	113.4	S1217 N1223	S1217-S1221 PolarHBondContact O-OG 3.25Å; S1221-N1223 PolarHBondContact O-N 3.42Å
1222	T	26.9	Very low	27.3	Very low	111 Å²	111	129.4 Å²	129.4	68%	0.681	71%	0.708	S	S	*	*			trans	-92.6	84.3	160.4	54.7	0	0	0	0	109
1223	N	26.7	Very low	27.3	Very low	158 Å²	158	128 Å²	128	85%	0.845	72%	0.716	S	S	*	*			trans	165	75.2	147.8	-85.2	-14.9	0	0	0	108.9	S1221	S1221-N1223 PolarHBondContact O-N 3.42Å
1224	E	26.7	Very low	27.1	Very low	182 Å²	182	128.3 Å²	128.3	85%	0.85	72%	0.723	S	S	*	*			trans	-155.1	93	151.8	-110.8	164.6	-145.4	0	0	107.8	V1226	E1224-V1226 PolarHBondContact O-N 2.98Å; E1224-V1226 VanDerWaalsContact O-N 3.1Å
1225	T	24.2	Very low	26.8	Very low	144 Å²	144	132 Å²	132	88%	0.883	74%	0.737	S	S	*	*			trans	-57.6	104.7	165.5	40.2	0	0	0	0	108.9
1226	V	25.3	Very low	26.5	Very low	130 Å²	130	130.8 Å²	130.8	79%	0.788	74%	0.742	S	S	*	*			trans	-126.4	114.9	162.9	-175.6	0	0	0	0	108.5	E1224	E1224-V1226 PolarHBondContact O-N 2.98Å; E1224-V1226 VanDerWaalsContact O-N 3.1Å
1227	I	23	Very low	26.3	Very low	145 Å²	145	130.3 Å²	130.3	74%	0.744	75%	0.753	S	S	*	*			trans	-61.1	136.7	-179.1	-70.6	160	0	0	0	109.8	V1229	I1227-V1229 PolarHBondContact O-N 2.76Å
1228	S	20.4	Very low	26.1	Very low	103 Å²	103	133.5 Å²	133.5	72%	0.72	76%	0.764	S	S	*	*			trans	-45.4	124.4	165.3	51.8	0	0	0	0	112.4
1229	V	25.2	Very low	25.8	Very low	132 Å²	132	135.2 Å²	135.2	80%	0.8	77%	0.774	S	S	*	*			trans	-127.1	101.5	154.5	-179.6	0	0	0	0	106.5	I1227	I1227-V1229 PolarHBondContact O-N 2.76Å
1230	D	23	Very low	25.5	Very low	143 Å²	143	137.1 Å²	137.1	77%	0.765	78%	0.784	S	S	*	*			trans	-59.7	143	155.7	-78.2	-48.7	0	0	0	109.5
1231	D	25.6	Very low	25.3	Very low	148 Å²	148	137.2 Å²	137.2	79%	0.791	79%	0.79	S	S	*	*			trans	163.2	97.4	145.7	-84.2	-19.6	0	0	0	106.5
1232	Q	23.1	Very low	25.2	Very low	195 Å²	195	141.1 Å²	141.1	91%	0.911	80%	0.804	S	S	*	*				35	90.4	85.4	-69.5	-161.5	18	0	0	114.6
1233	S	28.3	Very low	25.2	Very low	114 Å²	114	144.6 Å²	144.6	80%	0.797	81%	0.813	S	S	*	*			trans	-162.9	115.2	135.7	56.3	0	0	0	0	110.6
1234	N	23.5	Very low	25.1	Very low	150 Å²	150	142.2 Å²	142.2	80%	0.802	81%	0.808	S	S	*	*			trans	-48.3	138.1	151.9	-69.1	-38.9	0	0	0	109.4
1235	D	27.9	Very low	25	Very low	157 Å²	157	143.1 Å²	143.1	84%	0.84	81%	0.81	S	S	*	*				-166.6	124.5	124.8	-92	-24.9	0	0	0	111.2
1236	T	23.2	Very low	25	Very low	124 Å²	124	142.7 Å²	142.7	76%	0.761	80%	0.802	S	S	*	*			trans	-49.3	136	158.7	42.2	0	0	0	0	111.9
1237	C	24.1	Very low	24.9	Very low	121 Å²	121	141.6 Å²	141.6	82%	0.818	80%	0.801	S	S	*	*				172	140.1	119.5	-91.5	0	0	0	0	113.9
1238	D	28	Very low	25	Very low	149 Å²	149	139.3 Å²	139.3	80%	0.797	80%	0.798	S	S	*	*			trans	79.2	106.2	152.2	-101.6	-24.4	0	0	0	122
1239	P	28.9	Very low	25.3	Very low	108 Å²	108	143.2 Å²	143.2	70%	0.701	80%	0.804	S	S	*	*			trans	-92.7	100.7	165	34.3	-22.5	0	0	0	109.3
1240	N	25.4	Very low	25.4	Very low	163 Å²	163	142.4 Å²	142.4	87%	0.872	80%	0.804	S	S	*	*			trans	-179.4	86	152.4	-92.8	-29	0	0	0	110.9
1241	S	27.1	Very low	25.5	Very low	118 Å²	118	144.5 Å²	144.5	83%	0.825	81%	0.809	S	S	*	*			trans	-148.7	87.9	154.5	62.1	0	0	0	0	109.2	E1243	S1241-E1243 PolarHBondContact O-N 3.3Å
1242	N	23.7	Very low	25.6	Very low	168 Å²	168	146.9 Å²	146.9	90%	0.898	82%	0.815	S	S	*	*			trans	-66.1	107.8	156.7	-87.5	-27	0	0	0	107.6
1243	E	26.9	Very low	25.7	Very low	185 Å²	185	142.5 Å²	142.5	86%	0.864	81%	0.807	S	S	*	*			trans	-148.6	107	151.4	-109.2	175.1	-154.8	0	0	109.5	S1241	S1241-E1243 PolarHBondContact O-N 3.3Å
1244	S	23.7	Very low	25.7	Very low	107 Å²	107	145 Å²	145	75%	0.748	81%	0.81	S	S	*	*			trans	-61.5	125.3	168.9	49.7	0	0	0	0	110.8
1245	F	24.7	Very low	25.9	Very low	201 Å²	201	143.7 Å²	143.7	88%	0.882	80%	0.803	S	S	*	*			trans	-147.8	141.5	148.2	-105.3	-77.9	0	0	0	113.3
1246	N	25.1	Very low	25.9	Very low	135 Å²	135	143.6 Å²	143.6	72%	0.722	80%	0.802	S	S	*	*			trans	-61.8	142.8	-167.3	-75.2	-49.4	0	0	0	116.6
1247	S	22.8	Very low	26.1	Very low	108 Å²	108	141.6 Å²	141.6	76%	0.755	80%	0.799	S	S	*	*			trans	1	117.8	134.8	55.7	0	0	0	0	117.5
1248	S	24.2	Very low	26.4	Very low	97 Å²	97	143.2 Å²	143.2	68%	0.678	79%	0.792	S	S	*	*			trans	178	89.1	139.6	42.8	0	0	0	0	110.7
1249	H	27.4	Very low	26.6	Very low	184 Å²	184	143.5 Å²	143.5	85%	0.852	79%	0.793	S	S	*	*			trans	-152.6	85.6	147.3	-85.2	-50.6	0	0	0	109.1	H1251	H1249-H1251 PolarHBondContact O-N 3.04Å
1250	S	26.6	Very low	26.7	Very low	116 Å²	116	143.4 Å²	143.4	81%	0.811	79%	0.79	S	S	*	*			trans	-53.5	113.6	163.8	52.1	0	0	0	0	110.8
1251	H	25.6	Very low	26.9	Very low	187 Å²	187	141.7 Å²	141.7	87%	0.866	78%	0.776	S	S	*	*	P	Polyproline II helix	trans	-70.5	128.4	165.7	-85.4	-94	0	0	0	110.1	H1249	H1249-H1251 PolarHBondContact O-N 3.04Å
1252	Q	26.9	Very low	27.2	Very low	197 Å²	197	139.9 Å²	139.9	92%	0.921	76%	0.764	S	S	*	*	P	Polyproline II helix	trans	-59.8	129.4	177.3	-75.7	170.5	-24	0	0	111.3
1253	S	26.4	Very low	27.6	Very low	104 Å²	104	135.8 Å²	135.8	73%	0.727	75%	0.748	S	S	*	*	P	Polyproline II helix	trans	-65.9	124.8	175.2	53.8	0	0	0	0	111.6	D1255	S1253-D1255 PolarHBondContact O-N 2.86Å
1254	L	27	Very low	27.6	Very low	167 Å²	167	136.8 Å²	136.8	87%	0.874	74%	0.744	S	S	*	*			trans	-74.9	115.3	176.2	-157.1	77	0	0	0	110.1	N1256	L1254-N1256 PolarHBondContact O-N 3.03Å
1255	D	27.4	Very low	27.9	Very low	122 Å²	122	139 Å²	139	65%	0.652	74%	0.743	S	S	*	*			trans	-93	43.3	-159.1	-137.1	-1.7	0	0	0	114.1	S1253	S1253-D1255 PolarHBondContact O-N 2.86Å
1256	N	28.5	Very low	28.2	Very low	154 Å²	154	140.1 Å²	140.1	82%	0.824	74%	0.741	S	S	*	*			trans	-116.7	30.6	-172.9	-85.2	-17.7	0	0	0	115.6	L1254	L1254-N1256 PolarHBondContact O-N 3.03Å
1257	A	27	Very low	28.4	Very low	83 Å²	83	139.5 Å²	139.5	69%	0.686	74%	0.742	S	S	*	*			trans	-102.5	16	170.9	0	0	0	0	0	114.1	L1259	A1257-L1259 PolarHBondContact O-N 3.34Å
1258	K	31.3	Very low	28.5	Very low	155 Å²	155	141.7 Å²	141.7	67%	0.674	74%	0.74	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.1	1.6	178.3	-89.3	-176.8	179	170.3	0	115.6
1259	L	32.8	Very low	28.7	Very low	155 Å²	155	144.7 Å²	144.7	81%	0.812	75%	0.749	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.1	-5	176.8	-129.1	117.7	0	0	0	114.7	A1257	A1257-L1259 PolarHBondContact O-N 3.34Å
1260	V	30.8	Very low	28.7	Very low	106 Å²	106	143.7 Å²	143.7	64%	0.642	75%	0.749	S	S	*	*	S	Bend	trans	-103.8	-13.9	176.8	-176.7	0	0	0	0	112.3
1261	Q	29.9	Very low	28.6	Very low	126 Å²	126	146.1 Å²	146.1	59%	0.589	75%	0.753	S	S	*	*	G	3₁₀ helix	trans	-77.9	-24.4	-177.7	-146.9	168.7	6.9	0	0	113.8	S1263 W1264	Q1261-S1263 VanDerWaalsContact C-N 3.26Å; Q1261-S1263 PolarHBondContact O-N 3.11Å; Q1261-W1264 PolarHBondContact O-N 3.5Å
1262	S	33.1	Very low	28.6	Very low	80 Å²	80	143.2 Å²	143.2	56%	0.559	75%	0.752	S	S	*	*	G	3₁₀ helix	trans	-74.1	-15	177.1	57.3	0	0	0	0	114.1
1263	S	31.2	Very low	28.6	Very low	82 Å²	82	143.2 Å²	143.2	57%	0.573	75%	0.752	S	S	*	*	G	3₁₀ helix	trans	-85.7	-21.5	179	-45.2	0	0	0	0	112.2	Q1261	Q1261-S1263 VanDerWaalsContact C-N 3.26Å; Q1261-S1263 PolarHBondContact O-N 3.11Å
1264	W	26.9	Very low	28.6	Very low	207 Å²	207	147 Å²	147	78%	0.784	76%	0.756	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.2	-19	-175.6	-106.4	52.7	0	0	0	114.4	Q1261 R1266 V1267	Q1261-W1264 PolarHBondContact O-N 3.5Å; W1264-R1266 PolarHBondContact O-N 2.94Å; W1264-V1267 PolarHBondContact O-N 2.88Å
1265	E	29.5	Very low	28.6	Very low	153 Å²	153	144.8 Å²	144.8	72%	0.715	75%	0.752	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.2	-10.5	175.7	-81	-173.4	162.9	0	0	114.1
1266	R	32.2	Very low	28.6	Very low	224 Å²	224	147.5 Å²	147.5	85%	0.845	76%	0.76	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.7	0.2	-180	-129.6	-177.4	-69.7	-172	0.1	115.3	W1264	W1264-R1266 PolarHBondContact O-N 2.94Å
1267	V	28.7	Very low	28.6	Very low	122 Å²	122	146.2 Å²	146.2	74%	0.739	76%	0.758	S	S	*	*	S	Bend	trans	-125	10.1	-179.8	-167.9	0	0	0	0	113	W1264 N1269	W1264-V1267 PolarHBondContact O-N 2.88Å; V1267-N1269 VanDerWaalsContact C-N 3.31Å; V1267-N1269 PolarHBondContact O-N 3.34Å
1268	Q	25.7	Very low	28.6	Very low	155 Å²	155	151.9 Å²	151.9	72%	0.724	76%	0.763	S	S	*	*			trans	-88.1	49.5	172.5	-78.3	-163	-18.4	0	0	113.9
1269	N	28	Very low	28.4	Very low	160 Å²	160	153.9 Å²	153.9	86%	0.856	77%	0.772	S	S	*	*			trans	-127.5	23.2	172.1	-100.8	-16.3	0	0	0	114.7	V1267	V1267-N1269 VanDerWaalsContact C-N 3.31Å; V1267-N1269 PolarHBondContact O-N 3.34Å
1270	L	26.7	Very low	28.2	Very low	162 Å²	162	152.8 Å²	152.8	85%	0.848	77%	0.767	S	S	*	*	S	Bend	trans	-123.5	102.8	169.2	-76.5	163.2	0	0	0	109.8	C1272	L1270-C1272 PolarHBondContact O-N 3.05Å; L1270-C1272 VanDerWaalsContact O-N 3.08Å
1271	N	25.7	Very low	28.2	Very low	167 Å²	167	153.6 Å²	153.6	89%	0.893	77%	0.768	S	S	*	*			trans	-45.2	106.4	172.4	-73.1	-39.4	0	0	0	111.8
1272	C	23.9	Very low	28.1	Very low	127 Å²	127	153.6 Å²	153.6	86%	0.858	77%	0.772	S	S	*	*			trans	-142.7	116.1	155.9	-85.8	0	0	0	0	107.5	L1270 F1274	L1270-C1272 PolarHBondContact O-N 3.05Å; L1270-C1272 VanDerWaalsContact O-N 3.08Å; C1272-F1274 PolarHBondContact O-N 3.29Å
1273	Q	27.3	Very low	27.9	Very low	196 Å²	196	155.1 Å²	155.1	92%	0.916	78%	0.778	S	S	*	*			trans	-60.6	130.9	-175.3	-72.4	169.6	-32.1	0	0	111.7
1274	F	26.4	Very low	27.9	Very low	184 Å²	184	158.1 Å²	158.1	81%	0.807	78%	0.783	S	S	*	*			trans	-19.9	124.2	170.7	-64.7	-91.6	0	0	0	117.8	C1272	C1272-F1274 PolarHBondContact O-N 3.29Å
1275	P	27.8	Very low	28.2	Very low	121 Å²	121	152.9 Å²	152.9	79%	0.786	78%	0.777	S	S	*	*			trans	-101.2	74.4	162.7	36.6	-25.7	0	0	0	110.3
1276	E	26.8	Very low	28.1	Very low	178 Å²	178	151.9 Å²	151.9	83%	0.832	78%	0.776	S	S	*	*			trans	-120.4	10.7	172.2	-98.5	-172.4	174.8	0	0	114.3
1277	T	29.6	Very low	28.2	Very low	127 Å²	127	144.1 Å²	144.1	78%	0.779	76%	0.756	S	S	*	*	S	Bend	trans	-108	11	176	43.3	0	0	0	0	114.8
1278	Y	26.5	Very low	28.4	Very low	202 Å²	202	140.6 Å²	140.6	79%	0.792	74%	0.739	S	S	*	*	S	Bend	trans	-89.7	-13.8	-176.4	-136.4	-93.6	0	0	0	115.7
1279	F	27	Very low	28.6	Very low	197 Å²	197	142.4 Å²	142.4	86%	0.864	74%	0.739	S	S	*	*	S	Bend	trans	-100.7	-3.4	-173	-92.1	-76.1	0	0	0	117.3
1280	N	29.2	Very low	28.8	Very low	133 Å²	133	138.7 Å²	138.7	71%	0.711	72%	0.723	S	S	*	*	S	Bend	trans	-108	-3.1	-177.6	-88.6	-11.8	0	0	0	117
1281	N	30.5	Very low	29	Very low	123 Å²	123	140.1 Å²	140.1	66%	0.658	72%	0.717	S	S	*	*	S	Bend	trans	-99.4	-4.9	-175.1	-77.8	-9.8	0	0	0	116.3
1282	N	28	Very low	29.4	Very low	125 Å²	125	141.7 Å²	141.7	67%	0.668	71%	0.71	S	S	*	*	H	α-helix	trans	-91.3	-18.6	-177.7	-81.2	-14.7	0	0	0	115.1
1283	T	28.3	Very low	29.9	Very low	112 Å²	112	141.7 Å²	141.7	69%	0.687	70%	0.701	S	S	*	*	H	α-helix	trans	-81.3	-29	178	34.6	0	0	0	0	113.4
1284	E	31.8	Very low	30.1	Very low	146 Å²	146	138.3 Å²	138.3	68%	0.682	69%	0.689	S	S	*	*	H	α-helix	trans	-78.3	-29.1	176.3	-76.9	-163.1	148.4	0	0	113.6	L1286 S1287 A1288	E1284-L1286 PolarHBondContact O-N 3.09Å; E1284-S1287 PolarHBondContact O-OG 3.5Å; E1284-A1288 PolarHBondContact O-N 2.96Å
1285	C	31.7	Very low	30.5	Very low	96 Å²	96	138 Å²	138	65%	0.649	69%	0.687	S	S	*	*	H	α-helix	trans	-72.4	-27.9	-174.2	-130.2	0	0	0	0	113.4
1286	L	28.3	Very low	30.8	Very low	132 Å²	132	142.7 Å²	142.7	69%	0.691	69%	0.689	S	S	*	*	H	α-helix	trans	-82.5	-38.1	176.8	-89.9	147	0	0	0	112.6	E1284 A1288 R1289 T1290	E1284-L1286 PolarHBondContact O-N 3.09Å; L1286-A1288 VanDerWaalsContact C-N 3.33Å; L1286-A1288 PolarHBondContact O-N 3.16Å; L1286-R1289 PolarHBondContact O-N 2.79Å; L1286-T1290 PolarHBondContact O-N 3.31Å; L1286-T1290 PolarHBondContact O-OG1 2.82Å; L1286-T1290 VanDerWaalsContact O-OG1 3.09Å
1287	S	33.5	Very low	31.2	Very low	61 Å²	61	143.2 Å²	143.2	43%	0.427	69%	0.689	S	S	.	*	H	α-helix	trans	-69.7	-30.2	178.7	80.5	0	0	0	0	113	E1284 R1291	E1284-S1287 PolarHBondContact O-OG 3.5Å; S1287-R1291 PolarHBondContact O-N 3.15Å
1288	A	33.8	Very low	31.3	Very low	48 Å²	48	145.8 Å²	145.8	40%	0.397	69%	0.692	S	S	.	*	H	α-helix	trans	-71.6	-34.3	176.5	0	0	0	0	0	112.9	E1284 L1286 R1292	E1284-A1288 PolarHBondContact O-N 2.96Å; L1286-A1288 VanDerWaalsContact C-N 3.33Å; L1286-A1288 PolarHBondContact O-N 3.16Å; A1288-R1292 PolarHBondContact O-N 3.33Å; A1288-R1292 VanDerWaalsContact O-N 3.12Å
1289	R	30.3	Very low	31.5	Very low	193 Å²	193	140.3 Å²	140.3	73%	0.728	68%	0.683	S	S	*	*	H	α-helix	trans	-73	-39.9	-178.3	-156.4	171.4	-173.8	168.4	-0.2	111.5	L1286 R1292 L1293	L1286-R1289 PolarHBondContact O-N 2.79Å; R1289-R1292 PolarHBondContact O-N 3.48Å; R1289-L1293 PolarHBondContact O-N 3.32Å
1290	T	31.8	Very low	31.8	Very low	83 Å²	83	140.1 Å²	140.1	51%	0.509	68%	0.684	S	S	.	*	H	α-helix	trans	-70.4	-38.2	177.1	-36	0	0	0	0	111.9	L1286 R1292 L1293 L1294	L1286-T1290 PolarHBondContact O-N 3.31Å; L1286-T1290 PolarHBondContact O-OG1 2.82Å; L1286-T1290 VanDerWaalsContact O-OG1 3.09Å; T1290-R1292 PolarHBondContact O-N 3.48Å; T1290-L1293 PolarHBondContact O-N 3.12Å; T1290-L1294 PolarHBondContact O-N 3.32Å; T1290-L1294 VanDerWaalsContact O-N 3.15Å
1291	R	30.4	Very low	31.8	Very low	192 Å²	192	138.9 Å²	138.9	73%	0.725	69%	0.686	S	S	*	*	H	α-helix	trans	-68.4	-32	174.6	-76.6	-173.5	-168.7	177	6	113.6	S1287 K1295	S1287-R1291 PolarHBondContact O-N 3.15Å; R1291-K1295 PolarHBondContact O-N 2.97Å; R1291-K1295 VanDerWaalsContact O-N 3.12Å
1292	R	35.1	Very low	31.7	Very low	199 Å²	199	140 Å²	140	75%	0.751	69%	0.692	S	S	*	*	H	α-helix	trans	-71.5	-31.9	175	-81.4	-174.6	-175.3	165.8	4.4	112.9	A1288 R1289 T1290 R1296	A1288-R1292 PolarHBondContact O-N 3.33Å; A1288-R1292 VanDerWaalsContact O-N 3.12Å; R1289-R1292 PolarHBondContact O-N 3.48Å; T1290-R1292 PolarHBondContact O-N 3.48Å; R1292-R1296 PolarHBondContact O-N 3.21Å
1293	L	33.3	Very low	31.7	Very low	127 Å²	127	142.3 Å²	142.3	67%	0.665	70%	0.699	S	S	*	*	H	α-helix	trans	-73.8	-36.7	176.1	-80.7	162	0	0	0	112.2	R1289 T1290	R1289-L1293 PolarHBondContact O-N 3.32Å; T1290-L1293 PolarHBondContact O-N 3.12Å
1294	L	31.7	Very low	31.7	Very low	126 Å²	126	143.4 Å²	143.4	66%	0.66	70%	0.701	S	S	*	*	H	α-helix	trans	-75.9	-30	177.2	-79.4	161.4	0	0	0	113.8	T1290	T1290-L1294 PolarHBondContact O-N 3.32Å; T1290-L1294 VanDerWaalsContact O-N 3.15Å
1295	K	35.6	Very low	31.4	Very low	178 Å²	178	145 Å²	145	77%	0.774	71%	0.713	S	S	*	*	H	α-helix	trans	-76	-19.3	174.7	-88.7	-170.8	174.7	-175.5	0	114.7	R1291	R1291-K1295 PolarHBondContact O-N 2.97Å; R1291-K1295 VanDerWaalsContact O-N 3.12Å
1296	R	34.7	Very low	31.4	Very low	218 Å²	218	145.8 Å²	145.8	82%	0.823	71%	0.714	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.3	-11.9	178.9	-98	-175.6	174.5	173.6	-2.1	114.7	R1292	R1292-R1296 PolarHBondContact O-N 3.21Å
1297	K	33.4	Very low	31.3	Very low	190 Å²	190	145.4 Å²	145.4	83%	0.826	72%	0.722	S	S	*	*	S	Bend	trans	-96.8	-2.5	179.3	-96	-172.2	174	-175.7	0	115.5
1298	H	31.6	Very low	31.1	Very low	181 Å²	181	150.2 Å²	150.2	84%	0.838	74%	0.742	S	S	*	*	S	Bend	trans	-108.5	15.8	176.7	-86.5	-58.1	0	0	0	114.6
1299	S	32.1	Very low	30.7	Very low	86 Å²	86	160.5 Å²	160.5	60%	0.601	78%	0.782	S	S	*	*			trans	-131.1	58.5	176	67.8	0	0	0	0	111.2
1300	E	33.3	Very low	30.8	Very low	193 Å²	193	158.9 Å²	158.9	90%	0.902	78%	0.784	S	S	*	*			trans	-149.1	107.5	156.3	-110.1	161.7	-150.5	0	0	107.6
1301	S	29.4	Very low	30.7	Very low	107 Å²	107	162.9 Å²	162.9	75%	0.748	80%	0.799	S	S	*	*			trans	-61.9	143.1	-174.8	45	0	0	0	0	113.6
1302	D	27	Very low	30.7	Very low	148 Å²	148	161.3 Å²	161.3	79%	0.791	80%	0.803	S	S	*	*			trans	32.1	108.3	138.9	-61.8	-29	0	0	0	117.8
1303	Q	27.8	Very low	30.5	Very low	173 Å²	173	159.1 Å²	159.1	81%	0.808	81%	0.806	S	S	*	*				157.9	128.1	117.2	-84.4	-179.3	7.9	0	0	111.3
1304	N	28.3	Very low	30.3	Very low	134 Å²	134	161.1 Å²	161.1	72%	0.717	82%	0.815	S	S	*	*			trans	64.1	74	151	-57.4	-25.9	0	0	0	118.2
1305	L	26.5	Very low	30.2	Very low	180 Å²	180	163.4 Å²	163.4	94%	0.942	83%	0.825	S	S	*	*			trans	-95.7	85	146.2	-95.1	150.8	0	0	0	108	C1307	L1305-C1307 PolarHBondContact O-N 3.41Å
1306	V	31.8	Very low	29.8	Very low	112 Å²	112	162.4 Å²	162.4	68%	0.679	83%	0.829	S	S	*	*			trans	-66.9	118	160.8	171.3	0	0	0	0	106.4	L1308	V1306-L1308 PolarHBondContact O-N 3.39Å; V1306-L1308 VanDerWaalsContact O-N 3.13Å
1307	C	26.3	Very low	29.4	Very low	125 Å²	125	158.1 Å²	158.1	85%	0.845	83%	0.829	S	S	*	*			trans	-50.4	115.2	167.7	-67.4	0	0	0	0	109.5	L1305	L1305-C1307 PolarHBondContact O-N 3.41Å
1308	L	28.3	Very low	29.1	Very low	162 Å²	162	155.4 Å²	155.4	85%	0.848	83%	0.829	S	S	*	*			trans	-101.4	122.3	154.2	-88	156.3	0	0	0	106.1	V1306	V1306-L1308 PolarHBondContact O-N 3.39Å; V1306-L1308 VanDerWaalsContact O-N 3.13Å
1309	E	26.8	Very low	28.9	Very low	264 Å²	264	153.1 Å²	153.1	100%	1.234	83%	0.829	S	S	*	*			trans	-38.6	0	165.9	-62.4	173.7	146.6	0	0	113.3

Retrieved 1,309 of 1,309 residues in 1616.4 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).