A0A077ZD21_TRITR Loading...

Transmembrane cell adhesion receptor mua 3

AlphaFold DB , UniProt , Accession A0A077ZD21, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 2,673 aa.

						>A0A077ZD21_TRITR|A0A077ZD21
MLQSAFVAVNECREPRLNDCDKNAECIDEPESYTCQCKPGYVDASAALRQKAGRICKACMLLIAMVNECAEPKKYDVNCDQNALCIDTDLSFTCRCLPGYVDVSENYNDLPGRHCKEAVNECLDRKLHDCSVNALCEDAKEGYTCHCREGFVDVSPDVDHFPGRACVLPKKMAAPIEESYNSDSCDPSNPNACKGAEKCMEVDGHFICHCPPNAERFEDGTCTMINACDRNETNECDKNAVCSNILDSYSCQCKPGFIDTSDDPVKLPGRKCKEVVNECASVTLNDCSPYAECIDTRESYACSCKPGYLDVSSRFDLPAGRKCYNTTNECAVKNLNTCDDNADCIDLPEGYTCQCVPGYVDVSSSAKLAPGRVCTIQTYCPSQPTDLMFLLDGSGSIGSSVFRDEIMRFLRDFISLFNISPNKTRVAIIQFSDQIRHELDFAQSTSMTEVEESLNEINYLTGLTKTGNAMHDMLEVGFSTKRGARPLGSGVHRVAIVITDGRSQDVVTFSAVEARRNAVLVFAVGVTDHVSEAELIEIAGAKERVFLVKDFTGLDVRLRSLIQKAACPPVTEEWSRASQCSTDEPNACDASKNEMCSKVSEGFFVCDCPDGFERHPATNICGGVLCNPEVRTSCVYPEVCGKTPYGNYRCICPTDHFRSRLSGHCVINECLARMDDCDERATCIDTRDGYLCQCPAGFLDLSNDPKRAGRVCIMKSTDHCSDGKRHCSRNADCVNLADGFLCRCKPGYIDFSPNPRQTPGVDCREKRDECSDPTLNDCSPNAICIDTDEGYICMCKPDFIDRYEFSKPGRFCERAHANKMCEPGRNDCDRNAECFAKGANEFVCVCPSGYQDKSPNPISRPGRVCLPHIPVCDNPSLNDCDRENAVCIETGESFSCSCIAGFLDISPDPERPGRLCKKLVDECFEGTHDCAPVGGLCEDTPDSYKCTCASGYADVSPDVDKKPGRVCKPLKDECITKSNDCSANANCIDTADHYTCACKKGYRDASVDPVNIPGRTCIRLINECDQRELNDCSPNAWCTDTLDSYLCHCKRGYVDRSPDMLRYPGRICLAKLALIKQCLDVNECYLQQHDCSSNAICKDEEEGYSCRCREGFVDKSPNILALPGRVCEAGRHILFTCSKCSLMEVTIQQDSVCDVKDAYSCDISKNEVCRLINNEPQCTCPEMYEREPNTGSCTVINECLRSELNNCSTNAICTDQTAGYACQCKEGFKDESPNLPAQPGRVCKPLVNECEYEHLNDCHQEAECTDLEDGYQCRCKPGFVDISANAGLTSGRACHKPTDECADPTLNTCDRNALCLDDLFGYRCQCPEGYLDVSPVPSNPGRACKKIVDECSSGEHDCDPIALCVDTPDNYKCICPANSTDISPNPSFPGRVCRIAIDKCGSKMHDCDGNADCSNTDTSFVCTCKEGFVDRSPNPNRPGRFCVKLVNECEDGSAQCSPNADCRDLQDGYTCECKDGFIDQSPVTHQPGRICSKPDICPSNHDCSSAAVCEPLPEGSYTCRCVPGYVDHSPPETPGRKCVRANECRDPTLNNCSRNALCTKLTVGYSCECLPGFEDKSPTATFPGVVCEFPQPSFEETTHACQDPSLNDCSLQGTCKSNDSPEGYTCECPPDFVDMSPDLLNKPGRVCAPKLPVCLNKTANDCHKHAICQETAGGDGYTCRCRDGYNDQSADHLRPGRDCKEKINECLDSSLNDCDSTAICEDTEASYSCRCPLGYLDQSPDMHKPGRFCTKLINECMMPAMNNCSRFADCVDQPIGYSCSCREGYHDMNPLNAGTACILILNECESFHLHDCDRRAVCVDLVGGYNCTCPEMYEDYSPDPEKPGRICRVNECEFETLHECDPNATCRDTEDGYICYCKEGFLDVSPDPLQPGKKCITEEPVIISTQRPVTVPIELTPCALRFCNKTLGEYCVAGIRCECQPGHVRLDDQSVCERAWAFAFPLRVVRRNQTMLIWSSHYGNPDDVRYIEIVNLFNKGALEVFVTSSMLQITQAVAVTRLADSFILPKVNSITPPRLHNSSWVDGLVFNYTVFMRPDDFLTPQMVWNEIMQSIQRSNFSIGGTELYIDRFQLNPFGLTCGPLKCNQALGEVCVNNLLCTCPYGQGRKEETHPCKELQSYTIPLLVAYNGDILLKFDTTFSSESSPTNTELEDMFTKGVNQAYRITPVWPHFIRVELNEILDPSKFSWSDEIKGGLLFNFTVYFEKGSLEDRQTAWEQLFYSCVSTNYSIGGTRLFIDPLQPNPFDPCQWTDCYRNALCNSIGTDAYQCRCPEGYIDLNSALPGRQCVKGEDYNECASDASNNCSVNAICVDKQGKYSCECKPGFVDVSPPEGPRGRICILDYCADAPFCPANTTCLNIPEIEGARCECNPGFLDIRGSPFVDRFPPDTYCLATKDVDECALGLTNCSAVAICKNEDEGYSCSCPPGYVDGNPSQPGRACAAASCSFRCVRRRSLWYREPLLTQRKAFWPWSTVGASSSSESQADISAMSTSPFGIGAAKSSEHYPDFTIPRAKLKAAAHGSNGSTGETAEAGYMRAYLDAPDAKGWKIPRARLSNDGVEHEGSESVIFSDVHAGLMPGRSQLQGTRYTSADAASGSSEYSDSSYEEEIIKKTKTTNVKRTEVRKIVRPEVHSTEVLAVSENEAEGNAVSLTALRH
					

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	35.7	Very low	43.2	Very low	225 Å²	225	122 Å²	122	100%	1.108	69%	0.689	S	S	*	*				0	134.7	0	-154.3	-166.9	-161.1	0	0	105.4
2	L	35.5	Very low	45.5	Very low	133 Å²	133	114.9 Å²	114.9	70%	0.696	65%	0.652	S	S	*	*			trans	66.5	139.9	176.3	-50.4	173.8	0	0	0	112.4
3	Q	26.1	Very low	47.2	Very low	174 Å²	174	122.1 Å²	122.1	81%	0.813	66%	0.662	S	S	*	*				60.6	126.5	53.7	-57.8	172.8	-39.3	0	0	110.3
4	S	33.7	Very low	48.3	Very low	119 Å²	119	122.1 Å²	122.1	83%	0.832	66%	0.656	S	S	*	*			cis	-143.1	179.1	30.5	48.6	0	0	0	0	114.6
5	A	46.4	Very low	48.7	Very low	87 Å²	87	121.8 Å²	121.8	72%	0.719	66%	0.663	S	S	*	*			trans	-43.9	148.3	174.5	0	0	0	0	0	114.6
6	F	35.9	Very low	49.2	Very low	193 Å²	193	128.5 Å²	128.5	85%	0.846	68%	0.676	S	S	*	*			cis	-159.6	143.5	-0.4	-141.6	-124.9	0	0	0	107.4
7	V	39.4	Very low	49.8	Very low	109 Å²	109	125.2 Å²	125.2	66%	0.661	66%	0.658	S	S	*	*			cis	-149.8	-150.4	-15.1	71.3	0	0	0	0	107.4
8	A	48.7	Very low	50.3	Low	92 Å²	92	120.2 Å²	120.2	76%	0.76	63%	0.632	S	S	*	*			trans	-148.5	137	163	0	0	0	0	0	110.6
9	V	54	Low	51.2	Low	93 Å²	93	118.4 Å²	118.4	56%	0.564	62%	0.623	S	S	*	*			trans	-115.7	163.9	168.1	-175.8	0	0	0	0	107.4	E11 L17	V9-E11 VanDerWaalsContact CG1-OE1 3.3Å; V9-E11 WeakPolarHBondContact CG1-OE1 3.16Å; V9-L17 HydrophobicContact CG1-CD1 3.59Å
10	N	60.4	Low	52.4	Low	44 Å²	44	114 Å²	114	24%	0.235	60%	0.602	C	S	.	*			trans	-149.3	111.3	174.9	-179.5	-105.5	0	0	0	108	C12 R13 D28	N10-C12 PolarHBondContact O-N 3.19Å; N10-R13 HydrophobicContact CB-CB 4.05Å; N10-R13 HydrophobicContact CB-CG 4.44Å; N10-R13 WeakPolarHBondContact O-CB 3.3Å; N10-R13 PolarHBondContact O-N 3.04Å; N10-R13 VanDerWaalsContact OD1-CB 3.23Å; N10-R13 WeakPolarHBondContact OD1-CB 3.35Å; N10-R13 WeakPolarHBondContact OD1-CD 3.08Å; N10-R13 WeakPolarHBondContact OD1-CG 3.25Å; N10-R13 PolarHBondContact OD1-N 2.93Å; N10-D28 VanDerWaalsContact ND2-CG 3.33Å; N10-D28 PolarHBondContact ND2-OD1 2.78Å; N10-D28 PolarHBondContact ND2-OD2 2.02Å
11	E	59.1	Low	53.4	Low	73 Å²	73	109.9 Å²	109.9	34%	0.341	58%	0.581	S	S	.	*	G	3₁₀ helix	trans	-71.8	-34.4	-163.4	-73	58.9	-141.8	0	0	110.8	V9 R13 L17 Y33	V9-E11 VanDerWaalsContact CG1-OE1 3.3Å; V9-E11 WeakPolarHBondContact CG1-OE1 3.16Å; E11-R13 PolarHBondContact O-N 3Å; E11-L17 HydrophobicContact CB-CB 4.34Å; E11-L17 HydrophobicContact CG-CB 4.35Å; E11-Y33 HydrophobicContact CB-CD1 3.82Å; E11-Y33 HydrophobicContact CB-CE1 4.46Å; E11-Y33 HydrophobicContact CG-CD1 4.41Å
12	C	71.1	Confident	55.2	Low	37 Å²	37	107.1 Å²	107.1	25%	0.25	56%	0.562	C	S	.	*	G	3₁₀ helix	trans	-72.3	-3.2	170.8	-62.4	0	0	0	0	114.6	N10 C26 D28	N10-C12 PolarHBondContact O-N 3.19Å; C12-C26 HydrophobicContact CB-CB 3.88Å; C12-C26 WeakPolarHBondContact CB-SG 3.03Å; C12-C26 WeakPolarHBondContact SG-CB 3.13Å; C12-C26 CovalentContact SG-SG 2.05Å; C12-C26 PolarHBondContact SG-SG 3.28Å; C12-D28 HydrophobicContact CB-CB 4.43Å
13	R	67.3	Low	57	Low	208 Å²	208	102.4 Å²	102.4	79%	0.785	54%	0.538	S	S	*	.	G	3₁₀ helix	trans	-99.6	-20.4	-178.7	-100.7	176.9	172.2	177.7	0.9	116	N10 E11	N10-R13 HydrophobicContact CB-CB 4.05Å; N10-R13 HydrophobicContact CB-CG 4.44Å; N10-R13 WeakPolarHBondContact O-CB 3.3Å; N10-R13 PolarHBondContact O-N 3.04Å; N10-R13 VanDerWaalsContact OD1-CB 3.23Å; N10-R13 WeakPolarHBondContact OD1-CB 3.35Å; N10-R13 WeakPolarHBondContact OD1-CD 3.08Å; N10-R13 WeakPolarHBondContact OD1-CG 3.25Å; N10-R13 PolarHBondContact OD1-N 2.93Å; E11-R13 PolarHBondContact O-N 3Å
14	E	62.5	Low	59.1	Low	123 Å²	123	94.4 Å²	94.4	58%	0.575	50%	0.501	S	S	*	.	S	Bend	trans	-120.8	118.2	171.9	-67.1	-163.2	-177.4	0	0	109.3	R16 L17	E14-R16 PolarHBondContact O-N 3.17Å; E14-L17 HydrophobicContact CB-CD1 4.17Å; E14-L17 HydrophobicContact CB-CG 4.37Å; E14-L17 PolarHBondContact O-N 3.2Å
15	P	55	Low	61.3	Low	117 Å²	117	94.8 Å²	94.8	76%	0.76	49%	0.49	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.1	42.9	-176.1	33.8	-37.9	0	0	0	113
16	R	55.9	Low	62.8	Low	229 Å²	229	92.3 Å²	92.3	86%	0.864	47%	0.467	S	S	*	.	T	Hydrogen-bonded Turn	trans	-134.8	-1.9	170	-68.7	-178.7	173.4	168.4	-4.3	111.4	E14	E14-R16 PolarHBondContact O-N 3.17Å
17	L	59.6	Low	64.7	Low	72 Å²	72	86 Å²	86	38%	0.377	44%	0.442	S	S	.	.	S	Bend	trans	-120	-0.7	-179.4	-58.3	178.4	0	0	0	111.8	V9 E11 E14 Y33	V9-L17 HydrophobicContact CG1-CD1 3.59Å; E11-L17 HydrophobicContact CB-CB 4.34Å; E11-L17 HydrophobicContact CG-CB 4.35Å; E14-L17 HydrophobicContact CB-CD1 4.17Å; E14-L17 HydrophobicContact CB-CG 4.37Å; E14-L17 PolarHBondContact O-N 3.2Å; L17-Y33 VanDerWaalsContact O-CE1 3.28Å; L17-Y33 WeakPolarHBondContact O-CE1 3.13Å
18	N	59.2	Low	66	Low	35 Å²	35	84.8 Å²	84.8	19%	0.187	43%	0.431	C	S	.	.			trans	-132.1	147.1	170.1	67.9	-12.7	0	0	0	112.7	C26 Y33	N18-C26 PolarHBondContact ND2-SG 2.79Å; N18-Y33 HydrophobicContact CB-CD1 4.3Å; N18-Y33 HydrophobicContact CB-CD2 4.09Å; N18-Y33 HydrophobicContact CB-CE1 4.07Å; N18-Y33 HydrophobicContact CB-CE2 3.88Å; N18-Y33 HydrophobicContact CB-CG 4.31Å
19	D	67.6	Low	66.6	Low	87 Å²	87	85.3 Å²	85.3	47%	0.465	42%	0.418	S	S	.	.			trans	-118.8	30.7	-172.2	-30.3	-25.7	0	0	0	111.5	Y33 R54	D19-Y33 PolarHBondContact N-OH 2.91Å; D19-Y33 PolarHBondContact OD1-OH 2.97Å; D19-Y33 PolarHBondContact OD2-OH 2.94Å; D19-R54 WeakPolarHBondContact O-CG 3.33Å; D19-R54 IonicContact OD2-CZ 3.13Å; D19-R54 IonicContact OD2-NH1 2.79Å; D19-R54 PolarHBondContact OD2-NH1 2.91Å; D19-R54 IonicContact OD2-NH2 2.71Å; D19-R54 PolarHBondContact OD2-NH2 2.03Å
20	C	74.3	Confident	66.9	Low	30 Å²	30	87.3 Å²	87.3	20%	0.203	43%	0.433	C	S	.	.			trans	-78.7	150.4	-179.6	-59.5	0	0	0	0	112.5	A24 C35	C20-A24 HydrophobicContact CB-CB 4.44Å; C20-C35 WeakPolarHBondContact CA-SG 3.49Å; C20-C35 HydrophobicContact CB-CB 3.62Å; C20-C35 WeakPolarHBondContact CB-SG 3.02Å; C20-C35 WeakPolarHBondContact SG-CB 3.35Å; C20-C35 CovalentContact SG-SG 2.03Å; C20-C35 PolarHBondContact SG-SG 3.19Å
21	D	73.8	Confident	66.5	Low	28 Å²	28	94.8 Å²	94.8	15%	0.15	47%	0.467	C	S	.	.			trans	-63.5	147.7	171.9	-164.5	-73.4	0	0	0	110.9	N23 A24 G53 I55 C56	D21-N23 PolarHBondContact O-N 2.81Å; D21-N23 VanDerWaalsContact O-N 3.16Å; D21-N23 WeakPolarHBondContact OD1-CA 3.08Å; D21-N23 VanDerWaalsContact OD1-CB 3.24Å; D21-N23 WeakPolarHBondContact OD1-CB 3.32Å; D21-N23 PolarHBondContact OD1-N 3.07Å; D21-A24 HydrophobicContact CB-CB 4.11Å; D21-A24 WeakPolarHBondContact O-CA 3.15Å; D21-A24 WeakPolarHBondContact O-CB 3.39Å; D21-A24 PolarHBondContact O-N 2.93Å; D21-G53 PolarHBondContact N-O 2.82Å; D21-I55 WeakPolarHBondContact OD2-CA 3.17Å; D21-C56 HydrophobicContact CB-CB 4.43Å; D21-C56 PolarHBondContact OD2-N 3.1Å; D21-C56 VanDerWaalsContact OD2-N 3.17Å
22	K	73.9	Confident	66.4	Low	166 Å²	166	94.1 Å²	94.1	72%	0.722	47%	0.47	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.9	-31.7	169.1	59	-171.7	177.5	-158	0	113.2	K38	K22-K38 PolarHBondContact O-NZ 3.01Å
23	N	73.3	Confident	66.4	Low	34 Å²	34	93.2 Å²	93.2	18%	0.182	46%	0.461	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.2	-1.2	177.9	-63.1	-22.9	0	0	0	112.6	D21 K38 Y41 C56	D21-N23 PolarHBondContact O-N 2.81Å; D21-N23 VanDerWaalsContact O-N 3.16Å; D21-N23 WeakPolarHBondContact OD1-CA 3.08Å; D21-N23 VanDerWaalsContact OD1-CB 3.24Å; D21-N23 WeakPolarHBondContact OD1-CB 3.32Å; D21-N23 PolarHBondContact OD1-N 3.07Å; N23-K38 VanDerWaalsContact O-CB 3.29Å; N23-K38 WeakPolarHBondContact O-CB 3.47Å; N23-K38 WeakPolarHBondContact O-CD 3.42Å; N23-K38 WeakPolarHBondContact O-CG 3.32Å; N23-K38 PolarHBondContact O-N 2.89Å; N23-Y41 HydrophobicContact CB-CD1 4.09Å; N23-Y41 HydrophobicContact CB-CE1 4.16Å; N23-Y41 HydrophobicContact CB-CG 4.32Å; N23-Y41 WeakPolarHBondContact ND2-CE1 3.24Å; N23-C56 HydrophobicContact CB-CB 3.86Å; N23-C56 PolarHBondContact ND2-O 2.91Å
24	A	70.2	Confident	66.3	Low	6 Å²	6	85 Å²	85	5%	0.05	43%	0.434	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	164.7	166.5	0	0	0	0	0	112.2	C20 D21 C35 Q36 K38 G53	C20-A24 HydrophobicContact CB-CB 4.44Å; D21-A24 HydrophobicContact CB-CB 4.11Å; D21-A24 WeakPolarHBondContact O-CA 3.15Å; D21-A24 WeakPolarHBondContact O-CB 3.39Å; D21-A24 PolarHBondContact O-N 2.93Å; A24-C35 HydrophobicContact CB-CB 4.16Å; A24-Q36 CarbonylContact C-O 3.38Å; A24-Q36 WeakPolarHBondContact CA-O 3.41Å; A24-Q36 WeakPolarHBondContact CB-O 3.37Å; A24-K38 VanDerWaalsContact O-CE 3.27Å; A24-K38 WeakPolarHBondContact O-CE 3.3Å; A24-K38 PolarHBondContact O-NZ 2.61Å; A24-G53 WeakPolarHBondContact CB-O 3.32Å
25	E	78.9	Confident	67	Low	128 Å²	128	79.2 Å²	79.2	60%	0.598	41%	0.407	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107.4	132.7	169.4	-170	154.1	-154.1	0	0	109.1	I27 C35 Q36	E25-I27 PolarHBondContact O-N 3.31Å; E25-C35 WeakPolarHBondContact O-CA 3.06Å; E25-Q36 PolarHBondContact N-O 3.18Å; E25-Q36 PolarHBondContact O-N 2.67Å
26	C	78.2	Confident	67.8	Low	35 Å²	35	79.6 Å²	79.6	24%	0.236	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	114.6	177.7	-171.7	0	0	0	0	108.7	C12 N18	C12-C26 HydrophobicContact CB-CB 3.88Å; C12-C26 WeakPolarHBondContact CB-SG 3.03Å; C12-C26 WeakPolarHBondContact SG-CB 3.13Å; C12-C26 CovalentContact SG-SG 2.05Å; C12-C26 PolarHBondContact SG-SG 3.28Å; N18-C26 PolarHBondContact ND2-SG 2.79Å
27	I	75.9	Confident	68.9	Low	61 Å²	61	69.8 Å²	69.8	31%	0.313	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	112.1	178.4	-59.4	176.7	0	0	0	107.4	E25 E29 Y33 T34 Q36	E25-I27 PolarHBondContact O-N 3.31Å; I27-E29 HydrophobicContact CG2-CG 4.44Å; I27-E29 PolarHBondContact O-N 2.9Å; I27-Y33 WeakPolarHBondContact O-CA 3.48Å; I27-T34 HydrophobicContact CB-CG2 4Å; I27-T34 HydrophobicContact CG2-CG2 4.22Å; I27-T34 PolarHBondContact N-O 3Å; I27-T34 PolarHBondContact O-N 2.98Å; I27-Q36 HydrophobicContact CD1-CB 3.92Å
28	D	67.7	Low	69.5	Low	82 Å²	82	70.2 Å²	70.2	44%	0.439	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	100.8	-175.8	-159.9	53.1	0	0	0	108.5	N10 C12	N10-D28 VanDerWaalsContact ND2-CG 3.33Å; N10-D28 PolarHBondContact ND2-OD1 2.78Å; N10-D28 PolarHBondContact ND2-OD2 2.02Å; C12-D28 HydrophobicContact CB-CB 4.43Å
29	E	61.5	Low	69.9	Low	103 Å²	103	75 Å²	75	48%	0.481	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	161.2	177.8	-71.8	-165.8	163.8	0	0	111.1	I27 E31 S32 T34	I27-E29 HydrophobicContact CG2-CG 4.44Å; I27-E29 PolarHBondContact O-N 2.9Å; E29-E31 PolarHBondContact O-N 3.35Å; E29-S32 CarbonylContact C-O 3.34Å; E29-S32 VanDerWaalsContact CA-O 3.29Å; E29-S32 WeakPolarHBondContact CA-O 3.37Å; E29-S32 WeakPolarHBondContact CB-O 3.27Å; E29-S32 PolarHBondContact N-O 2.66Å; E29-S32 PolarHBondContact O-N 2.81Å; E29-T34 HydrophobicContact CG-CG2 4.08Å
30	P	59.5	Low	69.4	Low	135 Å²	135	73 Å²	73	88%	0.877	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-23.9	-164.6	-28.5	37.2	0	0	0	116.8
31	E	52.9	Low	69	Low	202 Å²	202	75.7 Å²	75.7	94%	0.944	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-138.3	13.5	177.8	-61.3	-174.1	164.3	0	0	112.5	E29	E29-E31 PolarHBondContact O-N 3.35Å
32	S	56.1	Low	68.8	Low	58 Å²	58	77.2 Å²	77.2	41%	0.406	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.6	172.8	176.9	102.3	0	0	0	0	111.6	E29	E29-S32 CarbonylContact C-O 3.34Å; E29-S32 VanDerWaalsContact CA-O 3.29Å; E29-S32 WeakPolarHBondContact CA-O 3.37Å; E29-S32 WeakPolarHBondContact CB-O 3.27Å; E29-S32 PolarHBondContact N-O 2.66Å; E29-S32 PolarHBondContact O-N 2.81Å
33	Y	71.3	Confident	68.6	Low	18 Å²	18	70.6 Å²	70.6	7%	0.071	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	144.3	163	74	-90.2	0	0	0	111.2	E11 L17 N18 D19 I27 K51 R54	E11-Y33 HydrophobicContact CB-CD1 3.82Å; E11-Y33 HydrophobicContact CB-CE1 4.46Å; E11-Y33 HydrophobicContact CG-CD1 4.41Å; L17-Y33 VanDerWaalsContact O-CE1 3.28Å; L17-Y33 WeakPolarHBondContact O-CE1 3.13Å; N18-Y33 HydrophobicContact CB-CD1 4.3Å; N18-Y33 HydrophobicContact CB-CD2 4.09Å; N18-Y33 HydrophobicContact CB-CE1 4.07Å; N18-Y33 HydrophobicContact CB-CE2 3.88Å; N18-Y33 HydrophobicContact CB-CG 4.31Å; D19-Y33 PolarHBondContact N-OH 2.91Å; D19-Y33 PolarHBondContact OD1-OH 2.97Å; D19-Y33 PolarHBondContact OD2-OH 2.94Å; I27-Y33 WeakPolarHBondContact O-CA 3.48Å; Y33-K51 PolarHBondContact O-NZ 2.84Å; Y33-R54 PolarHBondContact OH-NH2 3.06Å
34	T	65.2	Low	68	Low	36 Å²	36	70 Å²	70	22%	0.221	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	155.9	173	173.8	0	0	0	0	109.4	I27 E29	I27-T34 HydrophobicContact CB-CG2 4Å; I27-T34 HydrophobicContact CG2-CG2 4.22Å; I27-T34 PolarHBondContact N-O 3Å; I27-T34 PolarHBondContact O-N 2.98Å; E29-T34 HydrophobicContact CG-CG2 4.08Å
35	C	76.7	Confident	67.7	Low	2 Å²	2	70.3 Å²	70.3	1%	0.014	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	140.9	-176.5	-43.3	0	0	0	0	109.3	C20 A24 E25 A52 G53	C20-C35 WeakPolarHBondContact CA-SG 3.49Å; C20-C35 HydrophobicContact CB-CB 3.62Å; C20-C35 WeakPolarHBondContact CB-SG 3.02Å; C20-C35 WeakPolarHBondContact SG-CB 3.35Å; C20-C35 CovalentContact SG-SG 2.03Å; C20-C35 PolarHBondContact SG-SG 3.19Å; A24-C35 HydrophobicContact CB-CB 4.16Å; E25-C35 WeakPolarHBondContact O-CA 3.06Å; C35-A52 VanDerWaalsContact CB-O 3.29Å; C35-A52 WeakPolarHBondContact CB-O 3.4Å; C35-A52 CarbonylContact O-C 3.56Å; C35-A52 VanDerWaalsContact O-C 3.27Å; C35-G53 WeakPolarHBondContact CB-O 3.09Å
36	Q	71.2	Confident	66.5	Low	125 Å²	125	66.3 Å²	66.3	58%	0.584	38%	0.377	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-131.1	124.1	178.6	-171.4	173.4	13.6	0	0	110.9	A24 E25 I27	A24-Q36 CarbonylContact C-O 3.38Å; A24-Q36 WeakPolarHBondContact CA-O 3.41Å; A24-Q36 WeakPolarHBondContact CB-O 3.37Å; E25-Q36 PolarHBondContact N-O 3.18Å; E25-Q36 PolarHBondContact O-N 2.67Å; I27-Q36 HydrophobicContact CD1-CB 3.92Å
37	C	79.6	Confident	65.1	Low	22 Å²	22	66 Å²	66	15%	0.149	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.1	138	177.5	-61.5	0	0	0	0	111.8	Y41 V42 D43 C56	C37-Y41 VanDerWaalsContact CB-O 3.28Å; C37-Y41 WeakPolarHBondContact CB-O 3.39Å; C37-V42 VanDerWaalsContact SG-C 3.57Å; C37-D43 WeakPolarHBondContact SG-CA 3.42Å; C37-D43 PolarHBondContact SG-N 3.33Å; C37-C56 WeakPolarHBondContact CA-SG 3.04Å; C37-C56 HydrophobicContact CB-CB 3.79Å; C37-C56 WeakPolarHBondContact CB-SG 3.5Å; C37-C56 WeakPolarHBondContact SG-CB 3.42Å; C37-C56 CovalentContact SG-SG 2.04Å; C37-C56 PolarHBondContact SG-SG 3.37Å
38	K	72.4	Confident	63.7	Low	82 Å²	82	66.3 Å²	66.3	36%	0.357	38%	0.379	S	S	.	.	P	Polyproline II helix	trans	-73.2	146.3	-179.7	-68.5	162.9	-179.9	132.2	0	110.1	K22 N23 A24 G40 Y41	K22-K38 PolarHBondContact O-NZ 3.01Å; N23-K38 VanDerWaalsContact O-CB 3.29Å; N23-K38 WeakPolarHBondContact O-CB 3.47Å; N23-K38 WeakPolarHBondContact O-CD 3.42Å; N23-K38 WeakPolarHBondContact O-CG 3.32Å; N23-K38 PolarHBondContact O-N 2.89Å; A24-K38 VanDerWaalsContact O-CE 3.27Å; A24-K38 WeakPolarHBondContact O-CE 3.3Å; A24-K38 PolarHBondContact O-NZ 2.61Å; K38-G40 PolarHBondContact O-N 2.81Å; K38-Y41 PolarHBondContact O-N 3.16Å
39	P	67.7	Low	62.7	Low	135 Å²	135	67.5 Å²	67.5	88%	0.877	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.5	134.3	-178	-28.2	35.3	0	0	0	113.4
40	G	58	Low	62	Low	46 Å²	46	69.5 Å²	69.5	47%	0.474	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	94.5	0.1	-168.6	0	0	0	0	0	114.2	K38 A58 C59	K38-G40 PolarHBondContact O-N 2.81Å; G40-A58 WeakPolarHBondContact O-CA 3.3Å; G40-C59 PolarHBondContact O-N 3.37Å
41	Y	65.7	Low	61.8	Low	85 Å²	85	66.2 Å²	66.2	33%	0.333	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	131.5	170	-57.5	-105.4	0	0	0	111.1	N23 C37 K38 K57 A58	N23-Y41 HydrophobicContact CB-CD1 4.09Å; N23-Y41 HydrophobicContact CB-CE1 4.16Å; N23-Y41 HydrophobicContact CB-CG 4.32Å; N23-Y41 WeakPolarHBondContact ND2-CE1 3.24Å; C37-Y41 VanDerWaalsContact CB-O 3.28Å; C37-Y41 WeakPolarHBondContact CB-O 3.39Å; K38-Y41 PolarHBondContact O-N 3.16Å; Y41-K57 CarbonylContact C-O 3.27Å; Y41-K57 WeakPolarHBondContact CA-O 3.05Å; Y41-K57 WeakPolarHBondContact CB-O 3.45Å; Y41-A58 HydrophobicContact CD1-CB 3.74Å; Y41-A58 HydrophobicContact CE1-CB 3.8Å; Y41-A58 HydrophobicContact CG-CB 4.37Å
42	V	69	Low	62	Low	60 Å²	60	57.6 Å²	57.6	36%	0.364	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	162	160.9	-75.8	0	0	0	0	111.2	C37 A44 C56 K57 N108 D109	C37-V42 VanDerWaalsContact SG-C 3.57Å; V42-A44 PolarHBondContact O-N 2.79Å; V42-C56 VanDerWaalsContact O-CA 3.28Å; V42-C56 WeakPolarHBondContact O-CA 3.21Å; V42-K57 PolarHBondContact N-O 2.86Å; V42-K57 PolarHBondContact O-N 2.93Å; V42-K57 VanDerWaalsContact O-N 3.07Å; V42-N108 WeakPolarHBondContact CG2-O 3.41Å; V42-D109 HydrophobicContact CB-CB 4.28Å; V42-D109 HydrophobicContact CG1-CB 4.49Å; V42-D109 VanDerWaalsContact CG1-OD1 3.26Å; V42-D109 WeakPolarHBondContact CG1-OD1 3.13Å; V42-D109 WeakPolarHBondContact CG1-OD2 3.32Å; V42-D109 HydrophobicContact CG2-CB 3.46Å; V42-D109 VanDerWaalsContact CG2-CB 3.46Å; V42-D109 PolarHBondContact N-OD2 2.85Å
43	D	68.8	Low	62.4	Low	27 Å²	27	54.9 Å²	54.9	14%	0.144	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.7	113.9	160.7	-140.7	-26.9	0	0	0	111.8	C37 S45 L48 A52 G53	C37-D43 WeakPolarHBondContact SG-CA 3.42Å; C37-D43 PolarHBondContact SG-N 3.33Å; D43-S45 WeakPolarHBondContact OD1-CB 3.31Å; D43-S45 PolarHBondContact OD1-N 2.95Å; D43-S45 VanDerWaalsContact OD1-N 3.11Å; D43-S45 PolarHBondContact OD1-OG 2.99Å; D43-L48 HydrophobicContact CB-CD1 4.2Å; D43-L48 HydrophobicContact CB-CD2 3.83Å; D43-L48 HydrophobicContact CB-CG 3.91Å; D43-L48 WeakPolarHBondContact OD2-CD2 3.44Å; D43-A52 VanDerWaalsContact OD2-C 3.31Å; D43-A52 WeakPolarHBondContact OD2-CA 3.04Å; D43-A52 WeakPolarHBondContact OD2-CB 3.21Å; D43-G53 PolarHBondContact OD1-N 3.12Å; D43-G53 VanDerWaalsContact OD1-N 3.11Å; D43-G53 PolarHBondContact OD2-N 2.84Å
44	A	62.2	Low	62.4	Low	22 Å²	22	58 Å²	58	18%	0.182	32%	0.315	C	S	.	.			trans	-109.8	17.3	164.8	0	0	0	0	0	110.8	V42 A46 I55 K57	V42-A44 PolarHBondContact O-N 2.79Å; A44-A46 PolarHBondContact O-N 3.22Å; A44-I55 CarbonylContact C-O 3.55Å; A44-I55 HydrophobicContact CB-CG2 4.21Å; A44-I55 PolarHBondContact N-O 2.94Å; A44-K57 HydrophobicContact CB-CB 3.93Å; A44-K57 HydrophobicContact CB-CD 3.54Å; A44-K57 HydrophobicContact CB-CG 3.7Å
45	S	62.5	Low	62.4	Low	13 Å²	13	60.1 Å²	60.1	9%	0.091	32%	0.324	C	S	.	.			trans	-62.4	123.6	165.9	-46	0	0	0	0	107.1	D43 A47 R54 I55	D43-S45 WeakPolarHBondContact OD1-CB 3.31Å; D43-S45 PolarHBondContact OD1-N 2.95Å; D43-S45 VanDerWaalsContact OD1-N 3.11Å; D43-S45 PolarHBondContact OD1-OG 2.99Å; S45-A47 PolarHBondContact O-N 2.57Å; S45-R54 WeakPolarHBondContact OG-CA 3.33Å; S45-R54 PolarHBondContact OG-N 2.93Å; S45-I55 PolarHBondContact N-O 3.5Å; S45-I55 VanDerWaalsContact N-O 3.15Å; S45-I55 PolarHBondContact OG-N 2.93Å; S45-I55 PolarHBondContact OG-O 2.82Å
46	A	54.4	Low	62.2	Low	43 Å²	43	60.2 Å²	60.2	36%	0.355	32%	0.324	S	S	.	.	S	Bend	trans	-69.6	23.8	176.9	0	0	0	0	0	113.7	A44 R2181	A44-A46 PolarHBondContact O-N 3.22Å; A46-R2181 PolarHBondContact O-NH2 3.29Å
47	A	48	Very low	61.9	Low	30 Å²	30	56.4 Å²	56.4	25%	0.248	31%	0.306	C	S	.	.			trans	-155	113.4	161.2	0	0	0	0	0	110.6	S45 E2126	S45-A47 PolarHBondContact O-N 2.57Å; A47-E2126 VanDerWaalsContact CA-OE1 3.31Å; A47-E2126 WeakPolarHBondContact CA-OE1 3.07Å; A47-E2126 HydrophobicContact CB-CG 3.81Å
48	L	46.6	Very low	61	Low	67 Å²	67	56.8 Å²	56.8	35%	0.351	31%	0.311	S	S	.	.			trans	-94.9	6.1	-167.2	-126.8	169.1	0	0	0	115.3	D43 A52 E2126 T2128	D43-L48 HydrophobicContact CB-CD1 4.2Å; D43-L48 HydrophobicContact CB-CD2 3.83Å; D43-L48 HydrophobicContact CB-CG 3.91Å; D43-L48 WeakPolarHBondContact OD2-CD2 3.44Å; L48-A52 HydrophobicContact CD2-CB 4.29Å; L48-E2126 PolarHBondContact N-OE2 2.66Å; L48-T2128 WeakPolarHBondContact O-CG2 3.33Å; L48-T2128 PolarHBondContact O-OG1 2.92Å; L48-T2128 VanDerWaalsContact O-OG1 3.14Å
49	R	48.3	Very low	59.8	Low	107 Å²	107	54.3 Å²	54.3	40%	0.404	30%	0.303	S	S	.	.	S	Bend	trans	-168.1	122.3	160	-104.6	-177.4	-148.1	149.8	5.2	108.3	E2126 E2127 T2128	R49-E2126 HydrophobicContact CB-CB 4.27Å; R49-E2126 WeakPolarHBondContact O-CA 3.43Å; R49-E2126 WeakPolarHBondContact O-CB 3.18Å; R49-E2126 WeakPolarHBondContact O-CG 3.38Å; R49-E2127 HydrophobicContact CB-CB 3.79Å; R49-E2127 HydrophobicContact CB-CG 4.14Å; R49-E2127 HydrophobicContact CG-CB 4.34Å; R49-E2127 PolarHBondContact NH1-O 3.09Å; R49-E2127 PolarHBondContact O-N 2.72Å; R49-T2128 HydrophobicContact CB-CG2 4.2Å; R49-T2128 HydrophobicContact CG-CG2 3.87Å; R49-T2128 PolarHBondContact N-OG1 2.03Å
50	Q	46.4	Very low	58.4	Low	144 Å²	144	49 Å²	49	67%	0.673	27%	0.267	S	S	*	.	S	Bend	cis	-96	-16.7	38	-74.6	173.3	-10.8	0	0	116.6	E2127	Q50-E2127 HydrophobicContact CG-CG 4.25Å; Q50-E2127 VanDerWaalsContact CG-OE1 3.23Å; Q50-E2127 WeakPolarHBondContact CG-OE1 3.43Å; Q50-E2127 WeakPolarHBondContact CG-OE2 3.43Å; Q50-E2127 PolarHBondContact NE2-OE1 3.3Å
51	K	55.7	Low	57.4	Low	66 Å²	66	49.2 Å²	49.2	29%	0.287	26%	0.257	S	S	.	.			trans	-127.5	74.5	-178	-63.2	-159.5	179.1	-149.8	0	112.8	Y33 R54	Y33-K51 PolarHBondContact O-NZ 2.84Å; K51-R54 HydrophobicContact CB-CG 4.26Å
52	A	56.3	Low	55.9	Low	22 Å²	22	49.6 Å²	49.6	18%	0.182	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-44	155.7	153.2	0	0	0	0	0	112	C35 D43 L48 R54	C35-A52 VanDerWaalsContact CB-O 3.29Å; C35-A52 WeakPolarHBondContact CB-O 3.4Å; C35-A52 CarbonylContact O-C 3.56Å; C35-A52 VanDerWaalsContact O-C 3.27Å; D43-A52 VanDerWaalsContact OD2-C 3.31Å; D43-A52 WeakPolarHBondContact OD2-CA 3.04Å; D43-A52 WeakPolarHBondContact OD2-CB 3.21Å; L48-A52 HydrophobicContact CD2-CB 4.29Å; A52-R54 PolarHBondContact O-N 3.08Å
53	G	64.5	Low	54.2	Low	0 Å²	0	47.9 Å²	47.9	0%	0	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	71.7	20.6	169.8	0	0	0	0	0	116.6	D21 A24 C35 D43	D21-G53 PolarHBondContact N-O 2.82Å; A24-G53 WeakPolarHBondContact CB-O 3.32Å; C35-G53 WeakPolarHBondContact CB-O 3.09Å; D43-G53 PolarHBondContact OD1-N 3.12Å; D43-G53 VanDerWaalsContact OD1-N 3.11Å; D43-G53 PolarHBondContact OD2-N 2.84Å
54	R	70.7	Confident	52.6	Low	85 Å²	85	49.7 Å²	49.7	32%	0.321	27%	0.272	S	S	.	.	S	Bend	trans	-86.2	-20.8	173.2	-68.8	-169.3	163.6	-139	-11.3	113.7	D19 Y33 S45 K51 A52	D19-R54 WeakPolarHBondContact O-CG 3.33Å; D19-R54 IonicContact OD2-CZ 3.13Å; D19-R54 IonicContact OD2-NH1 2.79Å; D19-R54 PolarHBondContact OD2-NH1 2.91Å; D19-R54 IonicContact OD2-NH2 2.71Å; D19-R54 PolarHBondContact OD2-NH2 2.03Å; Y33-R54 PolarHBondContact OH-NH2 3.06Å; S45-R54 WeakPolarHBondContact OG-CA 3.33Å; S45-R54 PolarHBondContact OG-N 2.93Å; K51-R54 HydrophobicContact CB-CG 4.26Å; A52-R54 PolarHBondContact O-N 3.08Å
55	I	65.6	Low	52.2	Low	80 Å²	80	55.4 Å²	55.4	41%	0.41	30%	0.296	S	S	.	.	S	Bend	trans	-139.7	129.7	168.9	-52	176.1	0	0	0	107.9	D21 A44 S45	D21-I55 WeakPolarHBondContact OD2-CA 3.17Å; A44-I55 CarbonylContact C-O 3.55Å; A44-I55 HydrophobicContact CB-CG2 4.21Å; A44-I55 PolarHBondContact N-O 2.94Å; S45-I55 PolarHBondContact N-O 3.5Å; S45-I55 VanDerWaalsContact N-O 3.15Å; S45-I55 PolarHBondContact OG-N 2.93Å; S45-I55 PolarHBondContact OG-O 2.82Å
56	C	73.1	Confident	51.2	Low	4 Å²	4	57.5 Å²	57.5	3%	0.027	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	123.1	179	-53.4	0	0	0	0	113.5	D21 N23 C37 V42	D21-C56 HydrophobicContact CB-CB 4.43Å; D21-C56 PolarHBondContact OD2-N 3.1Å; D21-C56 VanDerWaalsContact OD2-N 3.17Å; N23-C56 HydrophobicContact CB-CB 3.86Å; N23-C56 PolarHBondContact ND2-O 2.91Å; C37-C56 WeakPolarHBondContact CA-SG 3.04Å; C37-C56 HydrophobicContact CB-CB 3.79Å; C37-C56 WeakPolarHBondContact CB-SG 3.5Å; C37-C56 WeakPolarHBondContact SG-CB 3.42Å; C37-C56 CovalentContact SG-SG 2.04Å; C37-C56 PolarHBondContact SG-SG 3.37Å; V42-C56 VanDerWaalsContact O-CA 3.28Å; V42-C56 WeakPolarHBondContact O-CA 3.21Å
57	K	64	Low	51.2	Low	44 Å²	44	59.2 Å²	59.2	19%	0.191	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	163.9	-177.8	-69.9	176.6	177.3	-168.5	0	110.1	Y41 V42 A44 N106 Y107 N108	Y41-K57 CarbonylContact C-O 3.27Å; Y41-K57 WeakPolarHBondContact CA-O 3.05Å; Y41-K57 WeakPolarHBondContact CB-O 3.45Å; V42-K57 PolarHBondContact N-O 2.86Å; V42-K57 PolarHBondContact O-N 2.93Å; V42-K57 VanDerWaalsContact O-N 3.07Å; A44-K57 HydrophobicContact CB-CB 3.93Å; A44-K57 HydrophobicContact CB-CD 3.54Å; A44-K57 HydrophobicContact CB-CG 3.7Å; K57-N106 WeakPolarHBondContact CD-O 3.31Å; K57-N106 WeakPolarHBondContact CE-O 3.41Å; K57-N106 PolarHBondContact NZ-O 3.22Å; K57-Y107 HydrophobicContact CB-CD1 4.16Å; K57-Y107 HydrophobicContact CG-CD1 4.23Å; K57-N108 CarbonylContact C-O 3.57Å; K57-N108 VanDerWaalsContact C-O 3.32Å; K57-N108 HydrophobicContact CB-CB 4.45Å; K57-N108 WeakPolarHBondContact CB-O 3.08Å; K57-N108 HydrophobicContact CD-CB 4.22Å
58	A	60.8	Low	51.8	Low	31 Å²	31	57.8 Å²	57.8	26%	0.256	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	151.5	-151.9	0	0	0	0	0	117.9	G40 Y41 D109	G40-A58 WeakPolarHBondContact O-CA 3.3Å; Y41-A58 HydrophobicContact CD1-CB 3.74Å; Y41-A58 HydrophobicContact CE1-CB 3.8Å; Y41-A58 HydrophobicContact CG-CB 4.37Å; A58-D109 VanDerWaalsContact C-CB 3.41Å; A58-D109 WeakPolarHBondContact O-CB 3.33Å; A58-D109 PolarHBondContact O-N 3.48Å
59	C	47.5	Very low	52.8	Low	30 Å²	30	56.9 Å²	56.9	20%	0.203	30%	0.299	C	S	.	.			trans	-107.4	151.6	-157.7	-154.9	0	0	0	0	118.9	G40 D109 L110	G40-C59 PolarHBondContact O-N 3.37Å; C59-D109 HydrophobicContact CB-CB 3.76Å; C59-D109 VanDerWaalsContact CB-CG 3.47Å; C59-D109 WeakPolarHBondContact CB-OD2 3.32Å; C59-D109 PolarHBondContact SG-OD1 2.78Å; C59-D109 VanDerWaalsContact SG-OD1 3.42Å; C59-D109 PolarHBondContact SG-OD2 2.87Å; C59-L110 PolarHBondContact SG-O 2.04Å
60	M	38.1	Very low	53.8	Low	22 Å²	22	55 Å²	55	11%	0.108	31%	0.305	C	S	.	.			trans	-159.2	45.8	-169.1	-60.6	-154.5	174.4	0	0	117.2	N78 F92 L110 P111	M60-N78 HydrophobicContact CB-CB 3.71Å; M60-N78 HydrophobicContact CG-CB 3.63Å; M60-N78 HydrophobicContact SD-CB 3.82Å; M60-N78 VanDerWaalsContact SD-O 3.35Å; M60-F92 WeakPolarHBondContact O-CZ 3.46Å; M60-L110 CarbonylContact C-O 3.56Å; M60-L110 VanDerWaalsContact CA-O 3.23Å; M60-L110 WeakPolarHBondContact CA-O 3.37Å; M60-L110 PolarHBondContact N-O 2.93Å; M60-P111 WeakPolarHBondContact O-CD 3.26Å
61	L	36.8	Very low	54.5	Low	52 Å²	52	52.6 Å²	52.6	27%	0.272	30%	0.295	S	S	.	.			trans	-58.3	171.6	-177.2	-68.8	160	0	0	0	114.5	Y75 D76 V77 L110	L61-Y75 CarbonylContact C-O 3.46Å; L61-D76 HydrophobicContact CB-CB 4.14Å; L61-D76 CarbonylContact O-C 3.49Å; L61-V77 WeakPolarHBondContact O-CA 3.3Å; L61-V77 WeakPolarHBondContact O-CG2 3.41Å; L61-V77 PolarHBondContact O-N 3.37Å; L61-L110 HydrophobicContact CD2-CB 3.5Å; L61-L110 VanDerWaalsContact CD2-CB 3.5Å; L61-L110 HydrophobicContact CD2-CD1 3.92Å; L61-L110 HydrophobicContact CD2-CG 4.33Å; L61-L110 HydrophobicContact CG-CB 4.12Å; L61-L110 PolarHBondContact N-O 3.46Å
62	L	34.3	Very low	54.7	Low	92 Å²	92	51.9 Å²	51.9	48%	0.482	30%	0.296	S	S	.	.			cis	-156.2	-172.9	-2.2	-126	168.4	0	0	0	107	Y75 V77 F92	L62-Y75 WeakPolarHBondContact CB-O 3.35Å; L62-Y75 PolarHBondContact N-O 2.95Å; L62-V77 WeakPolarHBondContact O-CG2 3.25Å; L62-F92 WeakPolarHBondContact O-CD1 3.38Å; L62-F92 WeakPolarHBondContact O-CE1 3.3Å
63	I	33	Very low	54.9	Low	24 Å²	24	60.5 Å²	60.5	12%	0.123	33%	0.33	C	S	.	.				-163.3	-124.5	69.9	-29.3	179.5	0	0	0	114.8	V66 E68 Y75 V77	I63-V66 HydrophobicContact CD1-CB 4.34Å; I63-V66 HydrophobicContact CD1-CG1 4.13Å; I63-E68 HydrophobicContact CB-CG 4.05Å; I63-E68 HydrophobicContact CD1-CB 4.05Å; I63-E68 HydrophobicContact CD1-CG 3.97Å; I63-E68 HydrophobicContact CG1-CB 3.91Å; I63-E68 HydrophobicContact CG1-CG 3.74Å; I63-E68 PolarHBondContact N-OE1 2.03Å; I63-Y75 HydrophobicContact CD1-CD1 4.01Å; I63-Y75 HydrophobicContact CD1-CD2 3.37Å; I63-Y75 HydrophobicContact CD1-CE2 4.01Å; I63-Y75 HydrophobicContact CD1-CG 3.35Å; I63-Y75 VanDerWaalsContact CG1-CB 3.42Å; I63-Y75 HydrophobicContact CG1-CD1 4.34Å; I63-Y75 HydrophobicContact CG1-CD2 4.39Å; I63-Y75 HydrophobicContact CG1-CG 3.89Å; I63-Y75 HydrophobicContact CG2-CD1 3.41Å; I63-Y75 VanDerWaalsContact CG2-CD1 3.41Å; I63-Y75 HydrophobicContact CG2-CE1 3.77Å; I63-Y75 HydrophobicContact CG2-CG 3.85Å; I63-V77 HydrophobicContact CG1-CG2 4.38Å
64	A	35.9	Very low	54.2	Low	65 Å²	65	66.6 Å²	66.6	54%	0.537	36%	0.356	S	S	.	.	S	Bend	trans	-174.1	100.5	-172	0	0	0	0	0	112	V66	A64-V66 PolarHBondContact O-N 3.21Å
65	M	53.1	Low	53.3	Low	142 Å²	142	65.6 Å²	65.6	70%	0.7	35%	0.353	S	S	*	.	S	Bend	trans	37.6	39.8	-177.4	-83.5	-145.9	169.8	0	0	116.4	D89	M65-D89 HydrophobicContact CE-CB 3.75Å; M65-D89 VanDerWaalsContact CE-O 3.26Å; M65-D89 WeakPolarHBondContact CE-O 3.27Å; M65-D89 WeakPolarHBondContact CG-O 3.24Å
66	V	42.7	Very low	52.8	Low	57 Å²	57	66.4 Å²	66.4	35%	0.345	36%	0.358	S	S	.	.	S	Bend	trans	-135.1	125.6	172.6	168.1	0	0	0	0	104.6	I63 A64 E68 Y75	I63-V66 HydrophobicContact CD1-CB 4.34Å; I63-V66 HydrophobicContact CD1-CG1 4.13Å; A64-V66 PolarHBondContact O-N 3.21Å; V66-E68 WeakPolarHBondContact O-CG 3.25Å; V66-E68 PolarHBondContact O-N 2.69Å; V66-E68 VanDerWaalsContact O-N 3.11Å; V66-Y75 HydrophobicContact CG1-CE2 3.87Å
67	N	53.9	Low	52.2	Low	79 Å²	79	67 Å²	67	42%	0.422	36%	0.362	S	S	.	.			trans	-57.8	123.8	-173.1	-174.5	-83.9	0	0	0	111.4	A70 D87	N67-A70 HydrophobicContact CB-CB 3.85Å; N67-A70 WeakPolarHBondContact O-CB 3.15Å; N67-A70 PolarHBondContact O-N 2.71Å; N67-A70 WeakPolarHBondContact OD1-CB 3.36Å; N67-A70 PolarHBondContact OD1-N 2.94Å; N67-D87 WeakPolarHBondContact CA-OD1 3.07Å; N67-D87 WeakPolarHBondContact CA-OD2 3.38Å; N67-D87 WeakPolarHBondContact CB-OD2 3.03Å; N67-D87 VanDerWaalsContact CG-OD1 3.25Å; N67-D87 PolarHBondContact ND2-OD1 3.12Å; N67-D87 PolarHBondContact ND2-OD2 2.83Å
68	E	60.2	Low	52.1	Low	1 Å²	1	68.5 Å²	68.5	1%	0.005	37%	0.372	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.4	-45.1	-154.2	-54.1	179.5	87.7	0	0	107.6	I63 V66 A70 V77 D87 S91 F92	I63-E68 HydrophobicContact CB-CG 4.05Å; I63-E68 HydrophobicContact CD1-CB 4.05Å; I63-E68 HydrophobicContact CD1-CG 3.97Å; I63-E68 HydrophobicContact CG1-CB 3.91Å; I63-E68 HydrophobicContact CG1-CG 3.74Å; I63-E68 PolarHBondContact N-OE1 2.03Å; V66-E68 WeakPolarHBondContact O-CG 3.25Å; V66-E68 PolarHBondContact O-N 2.69Å; V66-E68 VanDerWaalsContact O-N 3.11Å; E68-A70 PolarHBondContact O-N 3.18Å; E68-A70 VanDerWaalsContact O-N 3.15Å; E68-V77 HydrophobicContact CB-CG2 3.94Å; E68-V77 WeakPolarHBondContact O-CB 3.47Å; E68-V77 WeakPolarHBondContact O-CG2 3.26Å; E68-D87 WeakPolarHBondContact CB-OD1 3.1Å; E68-D87 PolarHBondContact N-OD1 2.92Å; E68-S91 VanDerWaalsContact OE1-CA 3.26Å; E68-S91 WeakPolarHBondContact OE1-CA 3.4Å; E68-F92 HydrophobicContact CB-CB 3.77Å; E68-F92 HydrophobicContact CB-CD1 4.2Å; E68-F92 HydrophobicContact CB-CG 4.13Å; E68-F92 HydrophobicContact CG-CB 4.24Å; E68-F92 PolarHBondContact OE1-N 2.04Å; E68-F92 WeakPolarHBondContact OE2-CA 3.41Å; E68-F92 WeakPolarHBondContact OE2-CB 3.41Å; E68-F92 PolarHBondContact OE2-N 3Å
69	C	68	Low	52.5	Low	48 Å²	48	68.3 Å²	68.3	32%	0.324	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-8.1	166.3	-42.4	0	0	0	0	113.8	C85	C69-C85 HydrophobicContact CB-CB 4.12Å; C69-C85 WeakPolarHBondContact CB-SG 3.44Å; C69-C85 WeakPolarHBondContact SG-CB 3.41Å; C69-C85 CovalentContact SG-SG 2.05Å; C69-C85 PolarHBondContact SG-SG 2.04Å
70	A	70	Confident	53.5	Low	66 Å²	66	68 Å²	68	55%	0.545	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.5	-34.2	-175.8	0	0	0	0	0	116.2	N67 E68 P72	N67-A70 HydrophobicContact CB-CB 3.85Å; N67-A70 WeakPolarHBondContact O-CB 3.15Å; N67-A70 PolarHBondContact O-N 2.71Å; N67-A70 WeakPolarHBondContact OD1-CB 3.36Å; N67-A70 PolarHBondContact OD1-N 2.94Å; E68-A70 PolarHBondContact O-N 3.18Å; E68-A70 VanDerWaalsContact O-N 3.15Å; A70-P72 WeakPolarHBondContact O-CD 3.15Å
71	E	60.1	Low	55	Low	95 Å²	95	75.7 Å²	75.7	44%	0.444	40%	0.4	S	S	.	.	S	Bend	trans	-119.5	52.2	170.2	-69.5	-164.7	153.8	0	0	113	K73 K74 Y75	E71-K73 PolarHBondContact O-N 3.2Å; E71-K74 HydrophobicContact CB-CB 4.32Å; E71-K74 PolarHBondContact O-N 3.44Å; E71-K74 WeakPolarHBondContact OE2-CD 3.04Å; E71-K74 IonicContact OE2-NZ 2.77Å; E71-K74 PolarHBondContact OE2-NZ 3.43Å; E71-Y75 HydrophobicContact CB-CD2 4.05Å; E71-Y75 HydrophobicContact CB-CE2 4.03Å; E71-Y75 PolarHBondContact O-N 2.95Å
72	P	61.3	Low	56.6	Low	50 Å²	50	75.6 Å²	75.6	33%	0.325	40%	0.4	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-2.4	-169.6	27.3	-38.1	0	0	0	115.5	A70 D76 V77	A70-P72 WeakPolarHBondContact O-CD 3.15Å; P72-D76 CarbonylContact O-C 3.59Å; P72-D76 VanDerWaalsContact O-C 3.32Å; P72-D76 WeakPolarHBondContact O-CA 3.4Å; P72-D76 PolarHBondContact O-N 3.08Å; P72-D76 VanDerWaalsContact O-N 3.12Å; P72-V77 HydrophobicContact CB-CB 3.86Å; P72-V77 WeakPolarHBondContact CB-O 3.05Å; P72-V77 PolarHBondContact O-N 3.07Å
73	K	59.9	Low	58.2	Low	203 Å²	203	72.1 Å²	72.1	88%	0.883	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.2	-12.8	172.5	-75.9	-163	172.4	-167	0	115	E71	E71-K73 PolarHBondContact O-N 3.2Å
74	K	48.7	Very low	60.4	Low	128 Å²	128	76.3 Å²	76.3	56%	0.557	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.9	-18.2	174.9	-177.5	169.8	136	-130.5	0	111	E71	E71-K74 HydrophobicContact CB-CB 4.32Å; E71-K74 PolarHBondContact O-N 3.44Å; E71-K74 WeakPolarHBondContact OE2-CD 3.04Å; E71-K74 IonicContact OE2-NZ 2.77Å; E71-K74 PolarHBondContact OE2-NZ 3.43Å
75	Y	52.7	Low	62.3	Low	65 Å²	65	75.2 Å²	75.2	26%	0.255	40%	0.395	S	S	.	.	S	Bend	trans	-143.3	18.7	-178.4	-41.8	-96	0	0	0	113.6	L61 L62 I63 V66 E71 V77	L61-Y75 CarbonylContact C-O 3.46Å; L62-Y75 WeakPolarHBondContact CB-O 3.35Å; L62-Y75 PolarHBondContact N-O 2.95Å; I63-Y75 HydrophobicContact CD1-CD1 4.01Å; I63-Y75 HydrophobicContact CD1-CD2 3.37Å; I63-Y75 HydrophobicContact CD1-CE2 4.01Å; I63-Y75 HydrophobicContact CD1-CG 3.35Å; I63-Y75 VanDerWaalsContact CG1-CB 3.42Å; I63-Y75 HydrophobicContact CG1-CD1 4.34Å; I63-Y75 HydrophobicContact CG1-CD2 4.39Å; I63-Y75 HydrophobicContact CG1-CG 3.89Å; I63-Y75 HydrophobicContact CG2-CD1 3.41Å; I63-Y75 VanDerWaalsContact CG2-CD1 3.41Å; I63-Y75 HydrophobicContact CG2-CE1 3.77Å; I63-Y75 HydrophobicContact CG2-CG 3.85Å; V66-Y75 HydrophobicContact CG1-CE2 3.87Å; E71-Y75 HydrophobicContact CB-CD2 4.05Å; E71-Y75 HydrophobicContact CB-CE2 4.03Å; E71-Y75 PolarHBondContact O-N 2.95Å; Y75-V77 PolarHBondContact O-N 3.02Å
76	D	54	Low	63.2	Low	96 Å²	96	72.1 Å²	72.1	51%	0.513	38%	0.38	S	S	.	.			trans	69	14.1	160.8	-130.6	23.6	0	0	0	121.2	L61 P72	L61-D76 HydrophobicContact CB-CB 4.14Å; L61-D76 CarbonylContact O-C 3.49Å; P72-D76 CarbonylContact O-C 3.59Å; P72-D76 VanDerWaalsContact O-C 3.32Å; P72-D76 WeakPolarHBondContact O-CA 3.4Å; P72-D76 PolarHBondContact O-N 3.08Å; P72-D76 VanDerWaalsContact O-N 3.12Å
77	V	62.1	Low	64	Low	18 Å²	18	72.1 Å²	72.1	11%	0.109	38%	0.378	C	S	.	.			trans	-63.6	130.1	-172.6	170.4	0	0	0	0	115.1	L61 L62 I63 E68 P72 Y75 F92	L61-V77 WeakPolarHBondContact O-CA 3.3Å; L61-V77 WeakPolarHBondContact O-CG2 3.41Å; L61-V77 PolarHBondContact O-N 3.37Å; L62-V77 WeakPolarHBondContact O-CG2 3.25Å; I63-V77 HydrophobicContact CG1-CG2 4.38Å; E68-V77 HydrophobicContact CB-CG2 3.94Å; E68-V77 WeakPolarHBondContact O-CB 3.47Å; E68-V77 WeakPolarHBondContact O-CG2 3.26Å; P72-V77 HydrophobicContact CB-CB 3.86Å; P72-V77 WeakPolarHBondContact CB-O 3.05Å; P72-V77 PolarHBondContact O-N 3.07Å; Y75-V77 PolarHBondContact O-N 3.02Å; V77-F92 HydrophobicContact CB-CZ 4.46Å; V77-F92 HydrophobicContact CG1-CD2 3.87Å; V77-F92 HydrophobicContact CG1-CE1 4.48Å; V77-F92 HydrophobicContact CG1-CE2 3.76Å; V77-F92 HydrophobicContact CG1-CG 4.3Å; V77-F92 HydrophobicContact CG1-CZ 4.08Å; V77-F92 HydrophobicContact CG2-CD1 3.99Å; V77-F92 HydrophobicContact CG2-CE1 3.84Å; V77-F92 HydrophobicContact CG2-CG 4.45Å; V77-F92 HydrophobicContact CG2-CZ 4.15Å
78	N	60.8	Low	64.5	Low	75 Å²	75	71.4 Å²	71.4	40%	0.401	38%	0.376	S	S	.	.			trans	-153.4	144	-166.7	-166.5	10.8	0	0	0	110.7	M60	M60-N78 HydrophobicContact CB-CB 3.71Å; M60-N78 HydrophobicContact CG-CB 3.63Å; M60-N78 HydrophobicContact SD-CB 3.82Å; M60-N78 VanDerWaalsContact SD-O 3.35Å
79	C	70.4	Confident	63.9	Low	26 Å²	26	77.3 Å²	77.3	18%	0.176	41%	0.408	C	S	.	.			trans	-148.2	157.2	176.5	-65.4	0	0	0	0	108.6	C94	C79-C94 HydrophobicContact CB-CB 3.93Å; C79-C94 WeakPolarHBondContact CB-SG 3.43Å; C79-C94 WeakPolarHBondContact SG-CB 3.48Å; C79-C94 CovalentContact SG-SG 2.05Å; C79-C94 PolarHBondContact SG-SG 2.91Å
80	D	67.4	Low	63.2	Low	23 Å²	23	82 Å²	82	12%	0.123	43%	0.429	C	S	.	.			trans	-61.1	157.1	175.1	-179.5	-131.4	0	0	0	114.2	N82 A83 R113 H114 C115	D80-N82 PolarHBondContact O-N 3.15Å; D80-N82 WeakPolarHBondContact OD1-CB 3.49Å; D80-N82 PolarHBondContact OD1-N 2.97Å; D80-A83 HydrophobicContact CB-CB 4.26Å; D80-A83 PolarHBondContact O-N 2.78Å; D80-R113 WeakPolarHBondContact CB-O 3.31Å; D80-R113 PolarHBondContact N-O 3.2Å; D80-H114 HydrophobicContact CB-CB 4.36Å; D80-H114 WeakPolarHBondContact CB-ND1 3.48Å; D80-H114 IonicContact OD1-ND1 3.09Å; D80-H114 IonicContact OD2-CE1 3.39Å; D80-H114 PolarHBondContact OD2-CE1 2.98Å; D80-H114 VanDerWaalsContact OD2-CE1 3.26Å; D80-H114 IonicContact OD2-ND1 3.83Å; D80-H114 PolarHBondContact OD2-ND1 3.3Å; D80-C115 PolarHBondContact OD1-N 3.26Å
81	Q	69.4	Low	62.6	Low	184 Å²	184	81.7 Å²	81.7	86%	0.86	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-21.8	179.8	-58	-178.4	23	0	0	113.2
82	N	70.2	Confident	63	Low	51 Å²	51	77.7 Å²	77.7	27%	0.273	40%	0.404	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.1	15.3	172.4	-62.1	-40.7	0	0	0	113.1	D80 C96 L97 C115	D80-N82 PolarHBondContact O-N 3.15Å; D80-N82 WeakPolarHBondContact OD1-CB 3.49Å; D80-N82 PolarHBondContact OD1-N 2.97Å; N82-C96 WeakPolarHBondContact O-CA 3.09Å; N82-L97 WeakPolarHBondContact O-CG 3.49Å; N82-L97 PolarHBondContact O-N 3.05Å; N82-C115 HydrophobicContact CB-CB 4.07Å
83	A	68.8	Low	63.4	Low	18 Å²	18	78.3 Å²	78.3	15%	0.149	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	163.2	-179.5	0	0	0	0	0	113.6	D80 R95	D80-A83 HydrophobicContact CB-CB 4.26Å; D80-A83 PolarHBondContact O-N 2.78Å; A83-R95 CarbonylContact C-O 3.41Å; A83-R95 WeakPolarHBondContact CA-O 2.99Å; A83-R95 WeakPolarHBondContact CB-O 3.48Å
84	L	78.2	Confident	64	Low	112 Å²	112	69 Å²	69	59%	0.586	37%	0.367	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120.5	133.1	-176.5	-165.9	81.1	0	0	0	111.9	C94 R95	L84-C94 CarbonylContact O-C 3.59Å; L84-C94 VanDerWaalsContact O-CA 3.25Å; L84-C94 WeakPolarHBondContact O-CA 3.38Å; L84-R95 PolarHBondContact N-O 2.86Å; L84-R95 PolarHBondContact O-N 2.78Å
85	C	76.3	Confident	65.3	Low	43 Å²	43	71.2 Å²	71.2	29%	0.291	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	135.4	175.9	-171.1	0	0	0	0	112	C69	C69-C85 HydrophobicContact CB-CB 4.12Å; C69-C85 WeakPolarHBondContact CB-SG 3.44Å; C69-C85 WeakPolarHBondContact SG-CB 3.41Å; C69-C85 CovalentContact SG-SG 2.05Å; C69-C85 PolarHBondContact SG-SG 2.04Å
86	I	72.1	Confident	66.2	Low	76 Å²	76	69.3 Å²	69.3	39%	0.39	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	114.6	-180	-52.9	178.6	0	0	0	109.9	F92 T93	I86-F92 CarbonylContact O-C 3.33Å; I86-F92 WeakPolarHBondContact O-CA 3.43Å; I86-T93 PolarHBondContact N-O 2.8Å; I86-T93 PolarHBondContact O-N 3.11Å; I86-T93 PolarHBondContact O-OG1 3.49Å
87	D	59	Low	66.8	Low	57 Å²	57	68.9 Å²	68.9	31%	0.305	37%	0.366	S	S	.	.			trans	-57.1	145.6	170.7	-119.8	54.3	0	0	0	112.4	N67 E68	N67-D87 WeakPolarHBondContact CA-OD1 3.07Å; N67-D87 WeakPolarHBondContact CA-OD2 3.38Å; N67-D87 WeakPolarHBondContact CB-OD2 3.03Å; N67-D87 VanDerWaalsContact CG-OD1 3.25Å; N67-D87 PolarHBondContact ND2-OD1 3.12Å; N67-D87 PolarHBondContact ND2-OD2 2.83Å; E68-D87 WeakPolarHBondContact CB-OD1 3.1Å; E68-D87 PolarHBondContact N-OD1 2.92Å
88	T	65.4	Low	66.7	Low	64 Å²	64	74 Å²	74	39%	0.393	40%	0.399	S	S	.	.			trans	-139.6	167.4	162.9	92.5	0	0	0	0	111.5	L90 S91 T93	T88-L90 PolarHBondContact O-N 2.89Å; T88-S91 WeakPolarHBondContact CA-O 3.27Å; T88-S91 WeakPolarHBondContact CB-O 3.15Å; T88-S91 WeakPolarHBondContact CG2-O 3.26Å; T88-S91 PolarHBondContact N-O 2.66Å; T88-S91 VanDerWaalsContact N-O 3.13Å; T88-S91 PolarHBondContact O-N 3.22Å; T88-S91 PolarHBondContact OG1-O 2.8Å; T88-T93 HydrophobicContact CG2-CG2 4.18Å
89	D	46.5	Very low	66.5	Low	125 Å²	125	73.6 Å²	73.6	67%	0.668	41%	0.413	S	S	*	.	S	Bend	trans	-60.4	-13.9	-167	-68.2	-32.9	0	0	0	115.6	M65	M65-D89 HydrophobicContact CE-CB 3.75Å; M65-D89 VanDerWaalsContact CE-O 3.26Å; M65-D89 WeakPolarHBondContact CE-O 3.27Å; M65-D89 WeakPolarHBondContact CG-O 3.24Å
90	L	54.8	Low	66.1	Low	146 Å²	146	76.5 Å²	76.5	76%	0.764	42%	0.421	S	S	*	.	S	Bend	trans	-135.2	-10.3	174.5	-67.1	172.9	0	0	0	115.1	T88	T88-L90 PolarHBondContact O-N 2.89Å
91	S	56.2	Low	65.9	Low	60 Å²	60	80 Å²	80	42%	0.42	44%	0.442	S	S	.	.	S	Bend	trans	-170.7	161.2	175.1	67	0	0	0	0	111.7	E68 T88	E68-S91 VanDerWaalsContact OE1-CA 3.26Å; E68-S91 WeakPolarHBondContact OE1-CA 3.4Å; T88-S91 WeakPolarHBondContact CA-O 3.27Å; T88-S91 WeakPolarHBondContact CB-O 3.15Å; T88-S91 WeakPolarHBondContact CG2-O 3.26Å; T88-S91 PolarHBondContact N-O 2.66Å; T88-S91 VanDerWaalsContact N-O 3.13Å; T88-S91 PolarHBondContact O-N 3.22Å; T88-S91 PolarHBondContact OG1-O 2.8Å
92	F	69.7	Low	65.6	Low	11 Å²	11	74.5 Å²	74.5	5%	0.048	42%	0.419	C	S	.	.			trans	-91	170	177.6	79.3	-69.6	0	0	0	114	M60 L62 E68 V77 I86 P111	M60-F92 WeakPolarHBondContact O-CZ 3.46Å; L62-F92 WeakPolarHBondContact O-CD1 3.38Å; L62-F92 WeakPolarHBondContact O-CE1 3.3Å; E68-F92 HydrophobicContact CB-CB 3.77Å; E68-F92 HydrophobicContact CB-CD1 4.2Å; E68-F92 HydrophobicContact CB-CG 4.13Å; E68-F92 HydrophobicContact CG-CB 4.24Å; E68-F92 PolarHBondContact OE1-N 2.04Å; E68-F92 WeakPolarHBondContact OE2-CA 3.41Å; E68-F92 WeakPolarHBondContact OE2-CB 3.41Å; E68-F92 PolarHBondContact OE2-N 3Å; V77-F92 HydrophobicContact CB-CZ 4.46Å; V77-F92 HydrophobicContact CG1-CD2 3.87Å; V77-F92 HydrophobicContact CG1-CE1 4.48Å; V77-F92 HydrophobicContact CG1-CE2 3.76Å; V77-F92 HydrophobicContact CG1-CG 4.3Å; V77-F92 HydrophobicContact CG1-CZ 4.08Å; V77-F92 HydrophobicContact CG2-CD1 3.99Å; V77-F92 HydrophobicContact CG2-CE1 3.84Å; V77-F92 HydrophobicContact CG2-CG 4.45Å; V77-F92 HydrophobicContact CG2-CZ 4.15Å; I86-F92 CarbonylContact O-C 3.33Å; I86-F92 WeakPolarHBondContact O-CA 3.43Å; F92-P111 HydrophobicContact CE1-CG 4.29Å; F92-P111 HydrophobicContact CZ-CG 4.35Å; F92-P111 VanDerWaalsContact CZ-O 3.3Å; F92-P111 WeakPolarHBondContact CZ-O 3.25Å
93	T	68.6	Low	65.3	Low	64 Å²	64	74.6 Å²	74.6	39%	0.393	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	158.9	179.1	61.6	0	0	0	0	112.1	I86 T88	I86-T93 PolarHBondContact N-O 2.8Å; I86-T93 PolarHBondContact O-N 3.11Å; I86-T93 PolarHBondContact O-OG1 3.49Å; T88-T93 HydrophobicContact CG2-CG2 4.18Å
94	C	73	Confident	64.4	Low	6 Å²	6	74.9 Å²	74.9	4%	0.041	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	157.5	173.6	-55	0	0	0	0	111.4	C79 L84 R113	C79-C94 HydrophobicContact CB-CB 3.93Å; C79-C94 WeakPolarHBondContact CB-SG 3.43Å; C79-C94 WeakPolarHBondContact SG-CB 3.48Å; C79-C94 CovalentContact SG-SG 2.05Å; C79-C94 PolarHBondContact SG-SG 2.91Å; L84-C94 CarbonylContact O-C 3.59Å; L84-C94 VanDerWaalsContact O-CA 3.25Å; L84-C94 WeakPolarHBondContact O-CA 3.38Å; C94-R113 HydrophobicContact CB-CB 3.74Å; C94-R113 HydrophobicContact CB-CG 4.09Å; C94-R113 VanDerWaalsContact O-CD 3.28Å; C94-R113 WeakPolarHBondContact O-CD 3.14Å; C94-R113 PolarHBondContact O-NH1 2.05Å
95	R	75.7	Confident	63.4	Low	175 Å²	175	77.8 Å²	77.8	66%	0.66	43%	0.433	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-148.4	134.5	175.1	173.4	178.1	163.6	165.2	-0.9	114.4	A83 L84	A83-R95 CarbonylContact C-O 3.41Å; A83-R95 WeakPolarHBondContact CA-O 2.99Å; A83-R95 WeakPolarHBondContact CB-O 3.48Å; L84-R95 PolarHBondContact N-O 2.86Å; L84-R95 PolarHBondContact O-N 2.78Å
96	C	70.6	Confident	62.2	Low	25 Å²	25	80.6 Å²	80.6	17%	0.169	45%	0.445	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	155.3	179.4	-69.3	0	0	0	0	116.2	N82 C115	N82-C96 WeakPolarHBondContact O-CA 3.09Å; C96-C115 WeakPolarHBondContact CA-SG 3.03Å; C96-C115 HydrophobicContact CB-CB 3.89Å; C96-C115 WeakPolarHBondContact CB-SG 3.47Å; C96-C115 WeakPolarHBondContact SG-CB 3.45Å; C96-C115 CovalentContact SG-SG 2.04Å; C96-C115 PolarHBondContact SG-SG 2.91Å
97	L	66.8	Low	61.1	Low	88 Å²	88	82.5 Å²	82.5	46%	0.461	45%	0.448	S	S	.	.	P	Polyproline II helix	trans	-88.6	149.7	174.4	-67.8	173.5	0	0	0	113.4	N82 Y100	N82-L97 WeakPolarHBondContact O-CG 3.49Å; N82-L97 PolarHBondContact O-N 3.05Å; L97-Y100 PolarHBondContact O-N 2.97Å
98	P	60.8	Low	60.3	Low	125 Å²	125	84.4 Å²	84.4	81%	0.812	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	144.2	-179.5	-22.2	33.7	0	0	0	113.8	Y100	P98-Y100 VanDerWaalsContact C-N 3.32Å
99	G	55.8	Low	59.2	Low	67 Å²	67	82.5 Å²	82.5	69%	0.691	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	93.2	-13.3	-171.8	0	0	0	0	0	113.4
100	Y	62.4	Low	59	Low	87 Å²	87	81.8 Å²	81.8	34%	0.341	44%	0.441	S	S	.	.			trans	-120	133.3	175.3	-59.5	-87.6	0	0	0	110.9	L97 P98 K116 E117	L97-Y100 PolarHBondContact O-N 2.97Å; P98-Y100 VanDerWaalsContact C-N 3.32Å; Y100-K116 CarbonylContact C-O 3.59Å; Y100-K116 WeakPolarHBondContact CA-O 3.49Å; Y100-E117 HydrophobicContact CD1-CB 4.18Å; Y100-E117 HydrophobicContact CE1-CB 4.11Å
101	V	64.3	Low	58.5	Low	95 Å²	95	77.9 Å²	77.9	58%	0.576	43%	0.425	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.5	147.5	172	-66.1	0	0	0	0	110.8	V103 C115 K116	V101-V103 HydrophobicContact CG2-CG1 4.46Å; V101-C115 CarbonylContact O-C 3.49Å; V101-C115 WeakPolarHBondContact O-CA 3.47Å; V101-K116 WeakPolarHBondContact CG2-O 3.09Å; V101-K116 PolarHBondContact N-O 3.12Å; V101-K116 PolarHBondContact O-N 3.24Å
102	D	62.6	Low	58	Low	69 Å²	69	76.3 Å²	76.3	37%	0.369	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	133.4	175.9	-171.3	-4.2	0	0	0	110.1	S104 R113	D102-S104 VanDerWaalsContact OD1-CB 3.25Å; D102-S104 WeakPolarHBondContact OD1-CB 3.34Å; D102-S104 PolarHBondContact OD1-N 3.04Å; D102-S104 VanDerWaalsContact OD1-N 3.07Å; D102-S104 PolarHBondContact OD1-OG 2.71Å; D102-R113 IonicContact OD1-NE 3.67Å; D102-R113 WeakPolarHBondContact OD2-CD 3.29Å; D102-R113 IonicContact OD2-CZ 3.76Å; D102-R113 IonicContact OD2-NE 2.64Å; D102-R113 PolarHBondContact OD2-NE 3.23Å; D102-R113 IonicContact OD2-NH2 2.64Å; D102-R113 PolarHBondContact OD2-NH2 3.03Å
103	V	64.3	Low	57.7	Low	53 Å²	53	80.7 Å²	80.7	32%	0.321	43%	0.434	S	S	.	.			trans	-130.4	20.9	179.4	-63.4	0	0	0	0	112.2	V101 E105 N106 H114 K116	V101-V103 HydrophobicContact CG2-CG1 4.46Å; V103-E105 VanDerWaalsContact C-N 3.32Å; V103-E105 PolarHBondContact O-N 3.25Å; V103-N106 PolarHBondContact O-N 3Å; V103-N106 VanDerWaalsContact O-N 3.15Å; V103-H114 HydrophobicContact CG2-CB 4.29Å; V103-H114 PolarHBondContact N-O 3.48Å; V103-K116 HydrophobicContact CG1-CB 4.41Å
104	S	49.8	Very low	57.4	Low	25 Å²	25	80.7 Å²	80.7	18%	0.175	43%	0.429	C	S	.	.	G	3₁₀ helix	trans	-66.2	-26	-165.9	-55.3	0	0	0	0	115	D102 N106 Y107 R113 H114	D102-S104 VanDerWaalsContact OD1-CB 3.25Å; D102-S104 WeakPolarHBondContact OD1-CB 3.34Å; D102-S104 PolarHBondContact OD1-N 3.04Å; D102-S104 VanDerWaalsContact OD1-N 3.07Å; D102-S104 PolarHBondContact OD1-OG 2.71Å; S104-N106 PolarHBondContact O-N 2.98Å; S104-Y107 PolarHBondContact O-N 2.99Å; S104-R113 WeakPolarHBondContact OG-CA 3.36Å; S104-R113 WeakPolarHBondContact OG-CB 3.18Å; S104-R113 WeakPolarHBondContact OG-CG 3.47Å; S104-H114 PolarHBondContact OG-N 2.88Å; S104-H114 PolarHBondContact OG-O 3.12Å
105	E	55.7	Low	57.2	Low	172 Å²	172	81 Å²	81	80%	0.804	43%	0.431	S	S	*	.	G	3₁₀ helix	trans	-55.6	-22.1	173.6	-61.6	176.1	139.8	0	0	112.8	V103 Y107	V103-E105 VanDerWaalsContact C-N 3.32Å; V103-E105 PolarHBondContact O-N 3.25Å; E105-Y107 PolarHBondContact O-N 2.84Å
106	N	52.8	Low	56.5	Low	103 Å²	103	79.5 Å²	79.5	55%	0.551	43%	0.43	S	S	*	.	G	3₁₀ helix	trans	-81.9	-3.4	177.5	-79.9	-72.7	0	0	0	115	K57 V103 S104	K57-N106 WeakPolarHBondContact CD-O 3.31Å; K57-N106 WeakPolarHBondContact CE-O 3.41Å; K57-N106 PolarHBondContact NZ-O 3.22Å; V103-N106 PolarHBondContact O-N 3Å; V103-N106 VanDerWaalsContact O-N 3.15Å; S104-N106 PolarHBondContact O-N 2.98Å
107	Y	47.6	Very low	56	Low	116 Å²	116	85.3 Å²	85.3	46%	0.455	45%	0.454	S	S	.	.			trans	-137	75.7	179.9	-79.8	-81.8	0	0	0	114.7	K57 S104 E105 D109	K57-Y107 HydrophobicContact CB-CD1 4.16Å; K57-Y107 HydrophobicContact CG-CD1 4.23Å; S104-Y107 PolarHBondContact O-N 2.99Å; E105-Y107 PolarHBondContact O-N 2.84Å; Y107-D109 PolarHBondContact O-N 2.92Å
108	N	42.7	Very low	55.4	Low	97 Å²	97	85.5 Å²	85.5	52%	0.519	47%	0.469	S	S	.	.			trans	-66.6	107.1	167.7	-65.7	11.3	0	0	0	112.5	V42 K57	V42-N108 WeakPolarHBondContact CG2-O 3.41Å; K57-N108 CarbonylContact C-O 3.57Å; K57-N108 VanDerWaalsContact C-O 3.32Å; K57-N108 HydrophobicContact CB-CB 4.45Å; K57-N108 WeakPolarHBondContact CB-O 3.08Å; K57-N108 HydrophobicContact CD-CB 4.22Å
109	D	41.8	Very low	55.2	Low	24 Å²	24	86 Å²	86	13%	0.128	47%	0.469	C	S	.	.	S	Bend		-157.9	154.9	129.8	-165.4	-2.8	0	0	0	107.8	V42 A58 C59 Y107	V42-D109 HydrophobicContact CB-CB 4.28Å; V42-D109 HydrophobicContact CG1-CB 4.49Å; V42-D109 VanDerWaalsContact CG1-OD1 3.26Å; V42-D109 WeakPolarHBondContact CG1-OD1 3.13Å; V42-D109 WeakPolarHBondContact CG1-OD2 3.32Å; V42-D109 HydrophobicContact CG2-CB 3.46Å; V42-D109 VanDerWaalsContact CG2-CB 3.46Å; V42-D109 PolarHBondContact N-OD2 2.85Å; A58-D109 VanDerWaalsContact C-CB 3.41Å; A58-D109 WeakPolarHBondContact O-CB 3.33Å; A58-D109 PolarHBondContact O-N 3.48Å; C59-D109 HydrophobicContact CB-CB 3.76Å; C59-D109 VanDerWaalsContact CB-CG 3.47Å; C59-D109 WeakPolarHBondContact CB-OD2 3.32Å; C59-D109 PolarHBondContact SG-OD1 2.78Å; C59-D109 VanDerWaalsContact SG-OD1 3.42Å; C59-D109 PolarHBondContact SG-OD2 2.87Å; Y107-D109 PolarHBondContact O-N 2.92Å
110	L	41.9	Very low	55.8	Low	109 Å²	109	86.4 Å²	86.4	57%	0.571	46%	0.455	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	137.7	-163.4	-63.3	159.5	0	0	0	113.2	C59 M60 L61	C59-L110 PolarHBondContact SG-O 2.04Å; M60-L110 CarbonylContact C-O 3.56Å; M60-L110 VanDerWaalsContact CA-O 3.23Å; M60-L110 WeakPolarHBondContact CA-O 3.37Å; M60-L110 PolarHBondContact N-O 2.93Å; L61-L110 HydrophobicContact CD2-CB 3.5Å; L61-L110 VanDerWaalsContact CD2-CB 3.5Å; L61-L110 HydrophobicContact CD2-CD1 3.92Å; L61-L110 HydrophobicContact CD2-CG 4.33Å; L61-L110 HydrophobicContact CG-CB 4.12Å; L61-L110 PolarHBondContact N-O 3.46Å
111	P	44.3	Very low	56.1	Low	65 Å²	65	85.9 Å²	85.9	42%	0.422	46%	0.456	S	S	.	.	T	Hydrogen-bonded Turn		-121.2	127.6	-59.5	36	-27.6	0	0	0	114.8	M60 F92	M60-P111 WeakPolarHBondContact O-CD 3.26Å; F92-P111 HydrophobicContact CE1-CG 4.29Å; F92-P111 HydrophobicContact CZ-CG 4.35Å; F92-P111 VanDerWaalsContact CZ-O 3.3Å; F92-P111 WeakPolarHBondContact CZ-O 3.25Å
112	G	46.7	Very low	56.8	Low	26 Å²	26	82.9 Å²	82.9	27%	0.268	44%	0.439	S	S	.	.			trans	-160.1	156.2	173.5	0	0	0	0	0	115.1
113	R	63.5	Low	57.3	Low	103 Å²	103	87 Å²	87	39%	0.389	46%	0.461	S	S	.	.			trans	-95	155	-174.9	-80.4	-164.6	157.1	113	-9.3	115.3	D80 C94 D102 S104	D80-R113 WeakPolarHBondContact CB-O 3.31Å; D80-R113 PolarHBondContact N-O 3.2Å; C94-R113 HydrophobicContact CB-CB 3.74Å; C94-R113 HydrophobicContact CB-CG 4.09Å; C94-R113 VanDerWaalsContact O-CD 3.28Å; C94-R113 WeakPolarHBondContact O-CD 3.14Å; C94-R113 PolarHBondContact O-NH1 2.05Å; D102-R113 IonicContact OD1-NE 3.67Å; D102-R113 WeakPolarHBondContact OD2-CD 3.29Å; D102-R113 IonicContact OD2-CZ 3.76Å; D102-R113 IonicContact OD2-NE 2.64Å; D102-R113 PolarHBondContact OD2-NE 3.23Å; D102-R113 IonicContact OD2-NH2 2.64Å; D102-R113 PolarHBondContact OD2-NH2 3.03Å; S104-R113 WeakPolarHBondContact OG-CA 3.36Å; S104-R113 WeakPolarHBondContact OG-CB 3.18Å; S104-R113 WeakPolarHBondContact OG-CG 3.47Å
114	H	62.5	Low	57.7	Low	64 Å²	64	88.5 Å²	88.5	30%	0.296	47%	0.466	S	S	.	.			trans	-135	150.5	175.4	-96.8	-65.2	0	0	0	114.1	D80 V103 S104	D80-H114 HydrophobicContact CB-CB 4.36Å; D80-H114 WeakPolarHBondContact CB-ND1 3.48Å; D80-H114 IonicContact OD1-ND1 3.09Å; D80-H114 IonicContact OD2-CE1 3.39Å; D80-H114 PolarHBondContact OD2-CE1 2.98Å; D80-H114 VanDerWaalsContact OD2-CE1 3.26Å; D80-H114 IonicContact OD2-ND1 3.83Å; D80-H114 PolarHBondContact OD2-ND1 3.3Å; V103-H114 HydrophobicContact CG2-CB 4.29Å; V103-H114 PolarHBondContact N-O 3.48Å; S104-H114 PolarHBondContact OG-N 2.88Å; S104-H114 PolarHBondContact OG-O 3.12Å
115	C	69.5	Low	58.4	Low	12 Å²	12	95 Å²	95	8%	0.081	49%	0.487	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	150.1	-170.9	-29.6	0	0	0	0	116.7	D80 N82 C96 V101	D80-C115 PolarHBondContact OD1-N 3.26Å; N82-C115 HydrophobicContact CB-CB 4.07Å; C96-C115 WeakPolarHBondContact CA-SG 3.03Å; C96-C115 HydrophobicContact CB-CB 3.89Å; C96-C115 WeakPolarHBondContact CB-SG 3.47Å; C96-C115 WeakPolarHBondContact SG-CB 3.45Å; C96-C115 CovalentContact SG-SG 2.04Å; C96-C115 PolarHBondContact SG-SG 2.91Å; V101-C115 CarbonylContact O-C 3.49Å; V101-C115 WeakPolarHBondContact O-CA 3.47Å
116	K	60.1	Low	58.9	Low	145 Å²	145	95.6 Å²	95.6	63%	0.63	49%	0.487	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-150.5	176.5	-175.5	-143.7	-170.9	173.1	-164.8	0	116.9	Y100 V101 V103	Y100-K116 CarbonylContact C-O 3.59Å; Y100-K116 WeakPolarHBondContact CA-O 3.49Å; V101-K116 WeakPolarHBondContact CG2-O 3.09Å; V101-K116 PolarHBondContact N-O 3.12Å; V101-K116 PolarHBondContact O-N 3.24Å; V103-K116 HydrophobicContact CG1-CB 4.41Å
117	E	60.7	Low	59.4	Low	146 Å²	146	95.7 Å²	95.7	68%	0.682	49%	0.487	S	S	*	.			trans	-124.4	163.3	-164.8	-167.7	175.8	-162	0	0	114.2	Y100	Y100-E117 HydrophobicContact CD1-CB 4.18Å; Y100-E117 HydrophobicContact CE1-CB 4.11Å
118	A	54	Low	60.7	Low	92 Å²	92	91.5 Å²	91.5	76%	0.76	47%	0.472	S	S	*	.			trans	-132.5	171.5	-163.1	0	0	0	0	0	118.2
119	V	56.2	Low	62.4	Low	136 Å²	136	90.8 Å²	90.8	82%	0.824	47%	0.468	S	S	*	.			trans	-142.1	-176.8	-165.5	-170	0	0	0	0	113.6
120	N	68.8	Low	64.4	Low	75 Å²	75	90.4 Å²	90.4	40%	0.401	47%	0.467	S	S	.	.			trans	-148.5	148.6	-172.4	155.7	-81.4	0	0	0	111.7	L123 D138	N120-L123 WeakPolarHBondContact OD1-CD1 3.16Å; N120-D138 PolarHBondContact ND2-OD1 3.09Å; N120-D138 PolarHBondContact ND2-OD2 3.48Å
121	E	68.8	Low	66.1	Low	76 Å²	76	86.1 Å²	86.1	36%	0.355	45%	0.446	S	S	.	.			trans	-116	-33	-160.8	-88.5	60.5	-140.9	0	0	116.2	L123 D138	E121-L123 PolarHBondContact O-N 3.18Å; E121-D138 PolarHBondContact N-OD1 3.45Å
122	C	77.6	Confident	67.9	Low	33 Å²	33	88.4 Å²	88.4	22%	0.223	46%	0.459	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.9	5	-168.4	-74.4	0	0	0	0	116.8	C136 E137 D138 Y143	C122-C136 VanDerWaalsContact SG-SG 3.61Å; C122-E137 PolarHBondContact SG-O 3.39Å; C122-D138 HydrophobicContact CB-CB 4.02Å; C122-D138 WeakPolarHBondContact CB-OD1 3.21Å; C122-D138 PolarHBondContact N-OD1 2.64Å; C122-D138 VanDerWaalsContact SG-CA 3.59Å; C122-D138 VanDerWaalsContact SG-CB 3.53Å; C122-D138 PolarHBondContact SG-OD1 2.75Å; C122-Y143 WeakPolarHBondContact SG-CB 3.45Å
123	L	74.6	Confident	69.4	Low	156 Å²	156	89.8 Å²	89.8	82%	0.817	46%	0.46	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89	-11.1	-173.7	-67.4	169	0	0	0	114.5	N120 E121	N120-L123 WeakPolarHBondContact OD1-CD1 3.16Å; E121-L123 PolarHBondContact O-N 3.18Å
124	D	71.1	Confident	70.2	Confident	83 Å²	83	85 Å²	85	44%	0.444	44%	0.443	S	S	.	.	S	Bend	trans	-125.6	125.9	171.6	-166.7	-24.3	0	0	0	112	K126 L127	D124-K126 PolarHBondContact O-N 3.22Å; D124-K126 PolarHBondContact OD1-N 3.15Å; D124-L127 HydrophobicContact CB-CD1 4.23Å; D124-L127 HydrophobicContact CB-CG 4.28Å; D124-L127 PolarHBondContact O-N 2.66Å
125	R	65.1	Low	71.2	Confident	161 Å²	161	86.6 Å²	86.6	61%	0.608	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.7	17.1	-179.4	-135.1	-169	-169.2	-158.8	-2.2	115.1	H128	R125-H128 VanDerWaalsContact CG-NE2 3.27Å; R125-H128 WeakPolarHBondContact CG-NE2 3.44Å
126	K	66.3	Low	72	Confident	185 Å²	185	87.5 Å²	87.5	80%	0.804	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117.2	-13.7	171.2	-68.9	-178.9	176.8	-180	0	113.4	D124	D124-K126 PolarHBondContact O-N 3.22Å; D124-K126 PolarHBondContact OD1-N 3.15Å
127	L	64	Low	72.8	Confident	106 Å²	106	87.1 Å²	87.1	56%	0.555	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.3	-16.1	173.3	-61.3	177	0	0	0	111.3	D124 Y143	D124-L127 HydrophobicContact CB-CD1 4.23Å; D124-L127 HydrophobicContact CB-CG 4.28Å; D124-L127 PolarHBondContact O-N 2.66Å; L127-Y143 WeakPolarHBondContact O-CE1 3.45Å
128	H	73.8	Confident	73.2	Confident	28 Å²	28	83 Å²	83	13%	0.13	44%	0.442	C	S	.	.			trans	-124.5	152.7	175.8	86.6	86.6	0	0	0	112.7	R125 C130 C136 Y143	R125-H128 VanDerWaalsContact CG-NE2 3.27Å; R125-H128 WeakPolarHBondContact CG-NE2 3.44Å; H128-C130 PolarHBondContact ND1-SG 2.77Å; H128-C130 VanDerWaalsContact ND1-SG 3.35Å; H128-C136 VanDerWaalsContact CG-SG 3.52Å; H128-Y143 VanDerWaalsContact CA-CZ 3.46Å; H128-Y143 HydrophobicContact CB-CD1 4.02Å; H128-Y143 HydrophobicContact CB-CD2 3.64Å; H128-Y143 HydrophobicContact CB-CE1 3.95Å; H128-Y143 HydrophobicContact CB-CE2 3.57Å; H128-Y143 HydrophobicContact CB-CG 3.88Å
129	D	79	Confident	73.7	Confident	82 Å²	82	80.9 Å²	80.9	44%	0.439	42%	0.424	S	S	.	.			trans	-123.9	12.6	-170.7	69.2	-2.7	0	0	0	116.3	Y143 R164	D129-Y143 PolarHBondContact OD1-OH 2.69Å; D129-R164 VanDerWaalsContact CG-NH2 3.29Å; D129-R164 IonicContact OD1-CZ 3.92Å; D129-R164 VanDerWaalsContact OD1-CZ 3.26Å; D129-R164 IonicContact OD1-NE 2.82Å; D129-R164 PolarHBondContact OD1-NE 3.3Å; D129-R164 IonicContact OD1-NH2 3.74Å; D129-R164 PolarHBondContact OD1-NH2 3.08Å; D129-R164 IonicContact OD2-CZ 3.82Å; D129-R164 IonicContact OD2-NE 3.1Å; D129-R164 PolarHBondContact OD2-NE 2.85Å; D129-R164 VanDerWaalsContact OD2-NE 3.1Å; D129-R164 IonicContact OD2-NH1 3.09Å; D129-R164 IonicContact OD2-NH2 2.69Å; D129-R164 PolarHBondContact OD2-NH2 2.04Å
130	C	83.2	Confident	73.4	Confident	15 Å²	15	85 Å²	85	10%	0.101	43%	0.431	C	S	.	.			trans	-48.1	148.4	175.1	-41.5	0	0	0	0	114.5	H128 A134 C136 C145	H128-C130 PolarHBondContact ND1-SG 2.77Å; H128-C130 VanDerWaalsContact ND1-SG 3.35Å; C130-A134 HydrophobicContact CB-CB 4.18Å; C130-C136 VanDerWaalsContact SG-CB 3.52Å; C130-C145 WeakPolarHBondContact CA-SG 3.31Å; C130-C145 HydrophobicContact CB-CB 3.59Å; C130-C145 WeakPolarHBondContact CB-SG 3.13Å; C130-C145 WeakPolarHBondContact SG-CB 3.23Å; C130-C145 CovalentContact SG-SG 2.02Å; C130-C145 PolarHBondContact SG-SG 3.39Å
131	S	79.4	Confident	72.8	Confident	19 Å²	19	91 Å²	91	13%	0.133	46%	0.457	C	S	.	.			trans	-56.1	154.9	178.3	-148.1	0	0	0	0	113.6	N133 A134 G163 R164	S131-N133 PolarHBondContact O-N 3.31Å; S131-A134 WeakPolarHBondContact O-CB 3.22Å; S131-A134 PolarHBondContact O-N 2.75Å; S131-G163 WeakPolarHBondContact CB-O 3.4Å; S131-G163 PolarHBondContact N-O 2.73Å; S131-R164 VanDerWaalsContact CB-C 3.47Å; S131-R164 WeakPolarHBondContact CB-O 3.36Å; S131-R164 PolarHBondContact OG-O 2.88Å
132	V	80.4	Confident	72.7	Confident	114 Å²	114	88.2 Å²	88.2	69%	0.691	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-25	170.1	-112.4	0	0	0	0	112.7
133	N	80	Confident	72.7	Confident	55 Å²	55	89.9 Å²	89.9	29%	0.294	45%	0.451	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.3	15	175.8	-68.2	-19.2	0	0	0	113.3	S131 R148 C166	S131-N133 PolarHBondContact O-N 3.31Å; N133-R148 VanDerWaalsContact O-CB 3.3Å; N133-R148 WeakPolarHBondContact O-CB 3.07Å; N133-R148 WeakPolarHBondContact O-CD 3.5Å; N133-R148 WeakPolarHBondContact O-CG 3.02Å; N133-R148 PolarHBondContact O-N 3.21Å; N133-C166 HydrophobicContact CB-CB 3.79Å; N133-C166 PolarHBondContact ND2-O 2.64Å
134	A	79.8	Confident	72.8	Confident	3 Å²	3	85.6 Å²	85.6	3%	0.025	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	-178.7	-176.7	0	0	0	0	0	113.8	C130 S131 H146 R148 G163	C130-A134 HydrophobicContact CB-CB 4.18Å; S131-A134 WeakPolarHBondContact O-CB 3.22Å; S131-A134 PolarHBondContact O-N 2.75Å; A134-H146 CarbonylContact C-O 3.48Å; A134-H146 WeakPolarHBondContact CA-O 2.93Å; A134-H146 WeakPolarHBondContact CB-O 3.48Å; A134-R148 PolarHBondContact O-NE 3.04Å; A134-R148 PolarHBondContact O-NH2 2.96Å; A134-G163 WeakPolarHBondContact CB-O 3.14Å
135	L	84	Confident	73.4	Confident	96 Å²	96	82 Å²	82	50%	0.503	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	164.1	170.4	-87.5	154.1	0	0	0	109.5	C145 H146	L135-C145 WeakPolarHBondContact O-CA 3.41Å; L135-H146 PolarHBondContact N-O 2.99Å; L135-H146 PolarHBondContact O-N 2.88Å; L135-H146 VanDerWaalsContact O-N 3.07Å
136	C	84.3	Confident	74.2	Confident	32 Å²	32	79.7 Å²	79.7	22%	0.216	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	132.8	-176.7	-168.6	0	0	0	0	109.6	C122 H128 C130 T144	C122-C136 VanDerWaalsContact SG-SG 3.61Å; H128-C136 VanDerWaalsContact CG-SG 3.52Å; C130-C136 VanDerWaalsContact SG-CB 3.52Å; C136-T144 CarbonylContact C-O 3.56Å; C136-T144 VanDerWaalsContact CA-O 3.32Å; C136-T144 WeakPolarHBondContact CA-O 3.38Å
137	E	77.5	Confident	74.9	Confident	136 Å²	136	72.6 Å²	72.6	64%	0.636	38%	0.381	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-134.4	156.7	-179.4	-58.7	-165.3	172.2	0	0	111	C122 Y143 T144	C122-E137 PolarHBondContact SG-O 3.39Å; E137-Y143 CarbonylContact O-C 3.46Å; E137-Y143 WeakPolarHBondContact O-CA 3.06Å; E137-Y143 WeakPolarHBondContact O-CB 3.07Å; E137-T144 PolarHBondContact N-O 3.23Å; E137-T144 PolarHBondContact O-N 3.39Å
138	D	69.9	Low	75.5	Confident	61 Å²	61	73.5 Å²	73.5	33%	0.326	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	137.8	-164.5	-157.7	92.9	0	0	0	112.2	N120 E121 C122	N120-D138 PolarHBondContact ND2-OD1 3.09Å; N120-D138 PolarHBondContact ND2-OD2 3.48Å; E121-D138 PolarHBondContact N-OD1 3.45Å; C122-D138 HydrophobicContact CB-CB 4.02Å; C122-D138 WeakPolarHBondContact CB-OD1 3.21Å; C122-D138 PolarHBondContact N-OD1 2.64Å; C122-D138 VanDerWaalsContact SG-CA 3.59Å; C122-D138 VanDerWaalsContact SG-CB 3.53Å; C122-D138 PolarHBondContact SG-OD1 2.75Å
139	A	63.2	Low	75.3	Confident	47 Å²	47	81.4 Å²	81.4	39%	0.388	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	164	-172	0	0	0	0	0	111.6	E141 G142	A139-E141 PolarHBondContact O-N 3.38Å; A139-G142 PolarHBondContact N-O 3.42Å; A139-G142 PolarHBondContact O-N 2.73Å; A139-G142 VanDerWaalsContact O-N 3.15Å; A139-G142 VanDerWaalsContact O-O 3.13Å
140	K	50.8	Low	74.6	Confident	221 Å²	221	80.4 Å²	80.4	96%	0.961	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.8	-24.5	-174.4	-86.6	-177.8	175.9	174.6	0	115.4
141	E	55.5	Low	74.2	Confident	201 Å²	201	83.4 Å²	83.4	94%	0.939	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-134.4	30.6	178.8	-59.1	-168.1	164.6	0	0	112.3	A139	A139-E141 PolarHBondContact O-N 3.38Å
142	G	67.7	Low	73.9	Confident	18 Å²	18	86.3 Å²	86.3	19%	0.186	45%	0.451	C	S	.	.	E	Extended strand (participates in β ladder)	trans	154	-142.6	174	0	0	0	0	0	115.4	A139	A139-G142 PolarHBondContact N-O 3.42Å; A139-G142 PolarHBondContact O-N 2.73Å; A139-G142 VanDerWaalsContact O-N 3.15Å; A139-G142 VanDerWaalsContact O-O 3.13Å
143	Y	77.6	Confident	73.6	Confident	68 Å²	68	82.6 Å²	82.6	27%	0.267	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	163	179.7	65.8	-91.7	0	0	0	111.7	C122 L127 H128 D129 E137	C122-Y143 WeakPolarHBondContact SG-CB 3.45Å; L127-Y143 WeakPolarHBondContact O-CE1 3.45Å; H128-Y143 VanDerWaalsContact CA-CZ 3.46Å; H128-Y143 HydrophobicContact CB-CD1 4.02Å; H128-Y143 HydrophobicContact CB-CD2 3.64Å; H128-Y143 HydrophobicContact CB-CE1 3.95Å; H128-Y143 HydrophobicContact CB-CE2 3.57Å; H128-Y143 HydrophobicContact CB-CG 3.88Å; D129-Y143 PolarHBondContact OD1-OH 2.69Å; E137-Y143 CarbonylContact O-C 3.46Å; E137-Y143 WeakPolarHBondContact O-CA 3.06Å; E137-Y143 WeakPolarHBondContact O-CB 3.07Å
144	T	76.2	Confident	73.5	Confident	66 Å²	66	83.4 Å²	83.4	41%	0.405	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	149.5	-178.7	-43.3	0	0	0	0	110.8	C136 E137	C136-T144 CarbonylContact C-O 3.56Å; C136-T144 VanDerWaalsContact CA-O 3.32Å; C136-T144 WeakPolarHBondContact CA-O 3.38Å; E137-T144 PolarHBondContact N-O 3.23Å; E137-T144 PolarHBondContact O-N 3.39Å
145	C	84.7	Confident	73.3	Confident	7 Å²	7	83.6 Å²	83.6	5%	0.047	44%	0.436	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	139.9	-171.5	-63.8	0	0	0	0	111.5	C130 L135 P162	C130-C145 WeakPolarHBondContact CA-SG 3.31Å; C130-C145 HydrophobicContact CB-CB 3.59Å; C130-C145 WeakPolarHBondContact CB-SG 3.13Å; C130-C145 WeakPolarHBondContact SG-CB 3.23Å; C130-C145 CovalentContact SG-SG 2.02Å; C130-C145 PolarHBondContact SG-SG 3.39Å; L135-C145 WeakPolarHBondContact O-CA 3.41Å; C145-P162 CarbonylContact C-O 3.39Å; C145-P162 WeakPolarHBondContact CB-O 3.08Å; C145-P162 CarbonylContact O-C 3.1Å; C145-P162 WeakPolarHBondContact O-CB 3.45Å; C145-P162 WeakPolarHBondContact O-CG 3.05Å
146	H	80.4	Confident	72.4	Confident	113 Å²	113	85.7 Å²	85.7	52%	0.523	46%	0.455	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	135	-178	-77.2	15.6	0	0	0	112.9	A134 L135	A134-H146 CarbonylContact C-O 3.48Å; A134-H146 WeakPolarHBondContact CA-O 2.93Å; A134-H146 WeakPolarHBondContact CB-O 3.48Å; L135-H146 PolarHBondContact N-O 2.99Å; L135-H146 PolarHBondContact O-N 2.88Å; L135-H146 VanDerWaalsContact O-N 3.07Å
147	C	81.7	Confident	71.3	Confident	36 Å²	36	86.9 Å²	86.9	24%	0.243	46%	0.459	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	151.8	176.4	-74.3	0	0	0	0	114.1	D153 C166	C147-D153 PolarHBondContact SG-OD2 2.04Å; C147-C166 VanDerWaalsContact CA-SG 3.54Å; C147-C166 HydrophobicContact CB-CB 3.92Å; C147-C166 WeakPolarHBondContact CB-SG 2.93Å; C147-C166 WeakPolarHBondContact SG-CB 3.45Å; C147-C166 CovalentContact SG-SG 2.03Å; C147-C166 PolarHBondContact SG-SG 2.92Å
148	R	76	Confident	70.6	Confident	125 Å²	125	83.2 Å²	83.2	47%	0.472	45%	0.446	S	S	.	.			trans	-86.1	147.9	176.2	-66.6	165.6	-172.9	-114.8	-8.2	112.4	N133 A134 F151	N133-R148 VanDerWaalsContact O-CB 3.3Å; N133-R148 WeakPolarHBondContact O-CB 3.07Å; N133-R148 WeakPolarHBondContact O-CD 3.5Å; N133-R148 WeakPolarHBondContact O-CG 3.02Å; N133-R148 PolarHBondContact O-N 3.21Å; A134-R148 PolarHBondContact O-NE 3.04Å; A134-R148 PolarHBondContact O-NH2 2.96Å; R148-F151 PolarHBondContact O-N 2.8Å
149	E	70.3	Confident	70	Confident	195 Å²	195	87.4 Å²	87.4	91%	0.911	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	-45.9	136.5	177.8	-65.6	-172	139.7	0	0	113.7	F151	E149-F151 VanDerWaalsContact C-N 3.3Å
150	G	64.8	Low	69.8	Low	60 Å²	60	92 Å²	92	62%	0.619	48%	0.481	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.8	-8.3	-179.7	0	0	0	0	0	114.9
151	F	74.7	Confident	70.6	Confident	79 Å²	79	86.2 Å²	86.2	35%	0.346	46%	0.457	S	S	.	.			trans	-108.1	143.3	166	-64.5	-98.9	0	0	0	109.7	R148 E149 C166 V167 L168	R148-F151 PolarHBondContact O-N 2.8Å; E149-F151 VanDerWaalsContact C-N 3.3Å; F151-C166 HydrophobicContact CB-CB 3.72Å; F151-C166 HydrophobicContact CG-CB 4.48Å; F151-V167 CarbonylContact C-O 3.21Å; F151-V167 VanDerWaalsContact CA-O 3.25Å; F151-V167 WeakPolarHBondContact CA-O 3.34Å; F151-V167 WeakPolarHBondContact CB-O 3.14Å; F151-L168 HydrophobicContact CD1-CB 4.23Å; F151-L168 HydrophobicContact CE1-CB 4.29Å; F151-L168 HydrophobicContact CE1-CD1 4.26Å; F151-L168 HydrophobicContact CZ-CD1 4.32Å
152	V	71.9	Confident	71.5	Confident	79 Å²	79	78.1 Å²	78.1	48%	0.479	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	140.5	174.2	-178.8	0	0	0	0	108	C166 V167 P169	V152-C166 CarbonylContact O-C 3.43Å; V152-C166 WeakPolarHBondContact O-CA 3.24Å; V152-V167 PolarHBondContact N-O 3.44Å; V152-V167 PolarHBondContact O-N 2.94Å; V152-P169 HydrophobicContact CG2-CG 3.93Å
153	D	75.1	Confident	71.8	Confident	36 Å²	36	77.2 Å²	77.2	19%	0.193	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	134.6	175.3	-144.8	-40.4	0	0	0	110.7	C147 S155 V158 G163	C147-D153 PolarHBondContact SG-OD2 2.04Å; D153-S155 VanDerWaalsContact OD1-CB 3.24Å; D153-S155 WeakPolarHBondContact OD1-CB 3.07Å; D153-S155 PolarHBondContact OD1-N 2.76Å; D153-S155 PolarHBondContact OD1-OG 2.88Å; D153-V158 HydrophobicContact CB-CG1 4.04Å; D153-V158 HydrophobicContact CB-CG2 4.31Å; D153-G163 WeakPolarHBondContact OD2-CA 3.32Å; D153-G163 PolarHBondContact OD2-N 2.99Å
154	V	77.8	Confident	71.9	Confident	73 Å²	73	77.8 Å²	77.8	44%	0.442	41%	0.414	S	S	.	.			trans	-141.1	31	173.1	-64.2	0	0	0	0	109.6	A165 V167	V154-A165 CarbonylContact C-O 3.57Å; V154-A165 HydrophobicContact CG2-CB 4.28Å; V154-A165 WeakPolarHBondContact CG2-O 3.3Å; V154-A165 PolarHBondContact N-O 3.22Å; V154-V167 HydrophobicContact CB-CG2 4.23Å; V154-V167 HydrophobicContact CG1-CG2 3.62Å; V154-V167 HydrophobicContact CG2-CB 4.08Å; V154-V167 HydrophobicContact CG2-CG1 3.59Å; V154-V167 HydrophobicContact CG2-CG2 3.51Å
155	S	75	Confident	71.9	Confident	7 Å²	7	76.2 Å²	76.2	5%	0.049	41%	0.407	C	S	.	.			trans	-55.2	138.7	163.1	-55.1	0	0	0	0	108.4	D153 D157 V158 F161 R164 A165	D153-S155 VanDerWaalsContact OD1-CB 3.24Å; D153-S155 WeakPolarHBondContact OD1-CB 3.07Å; D153-S155 PolarHBondContact OD1-N 2.76Å; D153-S155 PolarHBondContact OD1-OG 2.88Å; S155-D157 VanDerWaalsContact CB-O 3.32Å; S155-D157 WeakPolarHBondContact CB-O 3.47Å; S155-D157 PolarHBondContact O-N 2.82Å; S155-D157 VanDerWaalsContact O-N 3.12Å; S155-V158 WeakPolarHBondContact O-CG2 3.48Å; S155-F161 PolarHBondContact OG-O 2.86Å; S155-R164 PolarHBondContact OG-N 3.25Å; S155-A165 PolarHBondContact N-O 3.49Å; S155-A165 PolarHBondContact OG-N 2.92Å
156	P	65.2	Low	71.8	Confident	140 Å²	140	76.1 Å²	76.1	91%	0.909	41%	0.407	S	S	*	.	S	Bend	trans	-59	-26.9	-176.4	-26.9	35.8	0	0	0	114
157	D	61.1	Low	71.7	Confident	57 Å²	57	74.3 Å²	74.3	31%	0.305	40%	0.404	S	S	.	.	S	Bend	trans	-129.4	120.6	164.6	178.4	-26.3	0	0	0	105.5	S155 D159 H160 F161	S155-D157 VanDerWaalsContact CB-O 3.32Å; S155-D157 WeakPolarHBondContact CB-O 3.47Å; S155-D157 PolarHBondContact O-N 2.82Å; S155-D157 VanDerWaalsContact O-N 3.12Å; D157-D159 PolarHBondContact OD1-N 2.86Å; D157-H160 IonicContact OD1-CG 2.72Å; D157-H160 PolarHBondContact OD1-N 3.46Å; D157-H160 IonicContact OD1-ND1 2.92Å; D157-H160 WeakPolarHBondContact OD2-CB 3.43Å; D157-H160 IonicContact OD2-CE1 3.31Å; D157-H160 IonicContact OD2-CG 3.55Å; D157-H160 IonicContact OD2-ND1 3.95Å; D157-H160 PolarHBondContact OD2-ND1 3.33Å; D157-F161 HydrophobicContact CB-CD2 4.36Å; D157-F161 CarbonylContact O-C 3.52Å
158	V	64.1	Low	70.9	Confident	58 Å²	58	78.1 Å²	78.1	35%	0.352	42%	0.421	S	S	.	.	S	Bend	trans	-93.3	-22.1	-177.2	178.9	0	0	0	0	111.5	D153 S155 P162	D153-V158 HydrophobicContact CB-CG1 4.04Å; D153-V158 HydrophobicContact CB-CG2 4.31Å; S155-V158 WeakPolarHBondContact O-CG2 3.48Å; V158-P162 VanDerWaalsContact O-CA 3.31Å; V158-P162 WeakPolarHBondContact O-CA 3.27Å; V158-P162 VanDerWaalsContact O-CB 3.26Å; V158-P162 WeakPolarHBondContact O-CB 3.14Å; V158-P162 VanDerWaalsContact O-CD 3.25Å; V158-P162 WeakPolarHBondContact O-CD 3.31Å
159	D	56.5	Low	70	Confident	149 Å²	149	76 Å²	76	80%	0.797	42%	0.423	S	S	*	.	S	Bend	trans	-91.4	-38.2	-171.5	-65	-59	0	0	0	111.7	D157	D157-D159 PolarHBondContact OD1-N 2.86Å
160	H	57.9	Low	68.5	Low	143 Å²	143	76.4 Å²	76.4	66%	0.662	42%	0.422	S	S	*	.	S	Bend	trans	-85.8	-31.8	170.5	-61.1	102.9	0	0	0	113	D157 P162	D157-H160 IonicContact OD1-CG 2.72Å; D157-H160 PolarHBondContact OD1-N 3.46Å; D157-H160 IonicContact OD1-ND1 2.92Å; D157-H160 WeakPolarHBondContact OD2-CB 3.43Å; D157-H160 IonicContact OD2-CE1 3.31Å; D157-H160 IonicContact OD2-CG 3.55Å; D157-H160 IonicContact OD2-ND1 3.95Å; D157-H160 PolarHBondContact OD2-ND1 3.33Å; H160-P162 VanDerWaalsContact C-CD 3.4Å
161	F	69.4	Low	67.2	Low	101 Å²	101	83.3 Å²	83.3	44%	0.443	44%	0.435	S	S	.	.	S	Bend	trans	-131.2	52.6	-173.9	-55.1	-54.4	0	0	0	114.6	S155 D157 R164	S155-F161 PolarHBondContact OG-O 2.86Å; D157-F161 HydrophobicContact CB-CD2 4.36Å; D157-F161 CarbonylContact O-C 3.52Å; F161-R164 HydrophobicContact CB-CG 4.37Å; F161-R164 VanDerWaalsContact CD1-CZ 3.44Å
162	P	73.5	Confident	65.1	Low	30 Å²	30	88.7 Å²	88.7	20%	0.195	46%	0.464	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55	149.9	179.1	21.8	-31.7	0	0	0	111.8	C145 V158 H160 R164	C145-P162 CarbonylContact C-O 3.39Å; C145-P162 WeakPolarHBondContact CB-O 3.08Å; C145-P162 CarbonylContact O-C 3.1Å; C145-P162 WeakPolarHBondContact O-CB 3.45Å; C145-P162 WeakPolarHBondContact O-CG 3.05Å; V158-P162 VanDerWaalsContact O-CA 3.31Å; V158-P162 WeakPolarHBondContact O-CA 3.27Å; V158-P162 VanDerWaalsContact O-CB 3.26Å; V158-P162 WeakPolarHBondContact O-CB 3.14Å; V158-P162 VanDerWaalsContact O-CD 3.25Å; V158-P162 WeakPolarHBondContact O-CD 3.31Å; H160-P162 VanDerWaalsContact C-CD 3.4Å; P162-R164 VanDerWaalsContact C-N 3.33Å; P162-R164 PolarHBondContact O-N 2.04Å
163	G	74.6	Confident	63.1	Low	0 Å²	0	90 Å²	90	0%	0	48%	0.483	C	S	.	.	T	Hydrogen-bonded Turn	trans	68	22.2	172.5	0	0	0	0	0	115.5	S131 A134 D153	S131-G163 WeakPolarHBondContact CB-O 3.4Å; S131-G163 PolarHBondContact N-O 2.73Å; A134-G163 WeakPolarHBondContact CB-O 3.14Å; D153-G163 WeakPolarHBondContact OD2-CA 3.32Å; D153-G163 PolarHBondContact OD2-N 2.99Å
164	R	79.7	Confident	60.9	Low	79 Å²	79	92.7 Å²	92.7	30%	0.298	51%	0.51	S	S	.	.	S	Bend	trans	-86.4	-31.3	171.2	-73.7	-165.7	174.3	149.2	0.5	113.5	D129 S131 S155 F161 P162	D129-R164 VanDerWaalsContact CG-NH2 3.29Å; D129-R164 IonicContact OD1-CZ 3.92Å; D129-R164 VanDerWaalsContact OD1-CZ 3.26Å; D129-R164 IonicContact OD1-NE 2.82Å; D129-R164 PolarHBondContact OD1-NE 3.3Å; D129-R164 IonicContact OD1-NH2 3.74Å; D129-R164 PolarHBondContact OD1-NH2 3.08Å; D129-R164 IonicContact OD2-CZ 3.82Å; D129-R164 IonicContact OD2-NE 3.1Å; D129-R164 PolarHBondContact OD2-NE 2.85Å; D129-R164 VanDerWaalsContact OD2-NE 3.1Å; D129-R164 IonicContact OD2-NH1 3.09Å; D129-R164 IonicContact OD2-NH2 2.69Å; D129-R164 PolarHBondContact OD2-NH2 2.04Å; S131-R164 VanDerWaalsContact CB-C 3.47Å; S131-R164 WeakPolarHBondContact CB-O 3.36Å; S131-R164 PolarHBondContact OG-O 2.88Å; S155-R164 PolarHBondContact OG-N 3.25Å; F161-R164 HydrophobicContact CB-CG 4.37Å; F161-R164 VanDerWaalsContact CD1-CZ 3.44Å; P162-R164 VanDerWaalsContact C-N 3.33Å; P162-R164 PolarHBondContact O-N 2.04Å
165	A	76.4	Confident	58.9	Low	33 Å²	33	94.5 Å²	94.5	27%	0.273	52%	0.523	S	S	.	.			trans	-140	115.1	171.8	0	0	0	0	0	112.7	V154 S155	V154-A165 CarbonylContact C-O 3.57Å; V154-A165 HydrophobicContact CG2-CB 4.28Å; V154-A165 WeakPolarHBondContact CG2-O 3.3Å; V154-A165 PolarHBondContact N-O 3.22Å; S155-A165 PolarHBondContact N-O 3.49Å; S155-A165 PolarHBondContact OG-N 2.92Å
166	C	82.6	Confident	56.6	Low	6 Å²	6	101.1 Å²	101.1	4%	0.041	56%	0.557	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-118.2	126.6	178.9	-34.2	0	0	0	0	112	N133 C147 F151 V152	N133-C166 HydrophobicContact CB-CB 3.79Å; N133-C166 PolarHBondContact ND2-O 2.64Å; C147-C166 VanDerWaalsContact CA-SG 3.54Å; C147-C166 HydrophobicContact CB-CB 3.92Å; C147-C166 WeakPolarHBondContact CB-SG 2.93Å; C147-C166 WeakPolarHBondContact SG-CB 3.45Å; C147-C166 CovalentContact SG-SG 2.03Å; C147-C166 PolarHBondContact SG-SG 2.92Å; F151-C166 HydrophobicContact CB-CB 3.72Å; F151-C166 HydrophobicContact CG-CB 4.48Å; V152-C166 CarbonylContact O-C 3.43Å; V152-C166 WeakPolarHBondContact O-CA 3.24Å
167	V	78.3	Confident	54.7	Low	75 Å²	75	102.9 Å²	102.9	46%	0.455	55%	0.553	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-125.3	179.5	-178.9	-58.4	0	0	0	0	112.3	F151 V152 V154	F151-V167 CarbonylContact C-O 3.21Å; F151-V167 VanDerWaalsContact CA-O 3.25Å; F151-V167 WeakPolarHBondContact CA-O 3.34Å; F151-V167 WeakPolarHBondContact CB-O 3.14Å; V152-V167 PolarHBondContact N-O 3.44Å; V152-V167 PolarHBondContact O-N 2.94Å; V154-V167 HydrophobicContact CB-CG2 4.23Å; V154-V167 HydrophobicContact CG1-CG2 3.62Å; V154-V167 HydrophobicContact CG2-CB 4.08Å; V154-V167 HydrophobicContact CG2-CG1 3.59Å; V154-V167 HydrophobicContact CG2-CG2 3.51Å
168	L	64.9	Low	53.1	Low	115 Å²	115	108.5 Å²	108.5	60%	0.602	58%	0.577	S	S	*	*			trans	-124.9	122.1	-170.8	-163.8	148.9	0	0	0	111.6	F151	F151-L168 HydrophobicContact CD1-CB 4.23Å; F151-L168 HydrophobicContact CE1-CB 4.29Å; F151-L168 HydrophobicContact CE1-CD1 4.26Å; F151-L168 HydrophobicContact CZ-CD1 4.32Å
169	P	55.3	Low	51.3	Low	80 Å²	80	110.7 Å²	110.7	52%	0.519	60%	0.595	S	S	.	*			trans	-78.4	151.9	-170.4	30.6	-36.4	0	0	0	114.1	V152	V152-P169 HydrophobicContact CG2-CG 3.93Å
170	K	39.3	Very low	49.9	Very low	205 Å²	205	113.8 Å²	113.8	89%	0.891	60%	0.597	S	S	*	*			trans	-93.5	148.6	175	-68.1	178.6	179.5	172.7	0	111.4
171	K	37.3	Very low	48.7	Very low	205 Å²	205	114.2 Å²	114.2	89%	0.891	60%	0.604	S	S	*	*			trans	-126.1	167.8	177.6	-81.7	-166.2	172.3	-172.6	0	113.6
172	M	31.5	Very low	47	Very low	191 Å²	191	114.5 Å²	114.5	94%	0.941	62%	0.619	S	S	*	*			trans	-90.8	164.3	-156.1	-50.1	139.7	82.7	0	0	115.8
173	A	30.1	Very low	45.7	Very low	107 Å²	107	119.2 Å²	119.2	88%	0.884	64%	0.642	S	S	*	*			trans	-161.9	158.7	156.7	0	0	0	0	0	112.1
174	A	29	Very low	44.6	Very low	93 Å²	93	122.7 Å²	122.7	77%	0.769	67%	0.667	S	S	*	*			trans	-133.6	-161.7	176.8	0	0	0	0	0	109.2
175	P	35.4	Very low	43.7	Very low	110 Å²	110	119.9 Å²	119.9	71%	0.714	66%	0.659	S	S	*	*			cis	-147.7	-177.3	-2.1	39.6	-15.8	0	0	0	118.8
176	I	26.9	Very low	43	Very low	147 Å²	147	122.2 Å²	122.2	75%	0.754	67%	0.667	S	S	*	*			trans	67.1	135.2	156.7	-2.7	174.8	0	0	0	126.5
177	E	24.5	Very low	41.7	Very low	176 Å²	176	126 Å²	126	82%	0.822	69%	0.691	S	S	*	*			trans	88.7	167.4	141.6	-101.1	158.8	-121.6	0	0	124.3
178	E	27.6	Very low	40.7	Very low	175 Å²	175	127 Å²	127	82%	0.818	70%	0.702	S	S	*	*			trans	-110.5	159.4	-135.9	-49.4	175.7	130.9	0	0	121.3
179	S	26.6	Very low	40.2	Very low	104 Å²	104	126.2 Å²	126.2	73%	0.727	70%	0.698	S	S	*	*			trans	107	144.4	133.2	81.4	0	0	0	0	125.2
180	Y	28	Very low	39.7	Very low	215 Å²	215	128.3 Å²	128.3	84%	0.843	71%	0.712	S	S	*	*			trans	74.7	88.7	155.6	-77.7	-73.1	0	0	0	126.2
181	N	32.8	Very low	40.4	Very low	151 Å²	151	125.4 Å²	125.4	81%	0.807	71%	0.706	S	S	*	*				39.5	127.1	117.2	-165.9	18.6	0	0	0	124.6
182	S	32.9	Very low	41.3	Very low	108 Å²	108	118.1 Å²	118.1	76%	0.755	68%	0.684	S	S	*	*				172.6	139.7	126.8	66.4	0	0	0	0	115.6
183	D	45.7	Very low	42.4	Very low	128 Å²	128	110.1 Å²	110.1	68%	0.684	65%	0.647	S	S	*	*			trans	-159.2	154	151.3	-138.2	-10.3	0	0	0	112.6
184	S	52.2	Low	43.5	Very low	74 Å²	74	112.5 Å²	112.5	52%	0.517	64%	0.637	S	S	.	*			trans	-150.2	155.7	-166	176.4	0	0	0	0	114.5	F206	S184-F206 WeakPolarHBondContact CB-O 3.46Å; S184-F206 PolarHBondContact OG-O 3.13Å
185	C	60.2	Low	44.6	Very low	19 Å²	19	110.2 Å²	110.2	13%	0.128	62%	0.623	C	S	.	*			trans	-125.7	177.4	-171.6	69.6	0	0	0	0	115.2	C199 F206 I207 C208	C185-C199 HydrophobicContact CB-CB 3.95Å; C185-C199 WeakPolarHBondContact CB-SG 3.23Å; C185-C199 WeakPolarHBondContact SG-CA 3.01Å; C185-C199 WeakPolarHBondContact SG-CB 3.33Å; C185-C199 CovalentContact SG-SG 2.03Å; C185-C199 PolarHBondContact SG-SG 3.23Å; C185-F206 PolarHBondContact N-O 3.16Å; C185-F206 WeakPolarHBondContact O-CB 2.98Å; C185-I207 VanDerWaalsContact SG-CA 3.51Å; C185-I207 PolarHBondContact SG-N 2.87Å; C185-I207 PolarHBondContact SG-O 2.86Å; C185-I207 VanDerWaalsContact SG-O 3.37Å; C185-C208 WeakPolarHBondContact CB-SG 3.47Å; C185-C208 PolarHBondContact SG-N 3.47Å
186	D	61	Low	45.5	Very low	82 Å²	82	107.3 Å²	107.3	44%	0.439	61%	0.608	S	S	.	*			trans	-127.4	126.4	177.2	-176.4	-42.6	0	0	0	110	S188	D186-S188 PolarHBondContact O-N 3.14Å; D186-S188 VanDerWaalsContact O-N 3.16Å; D186-S188 VanDerWaalsContact OD1-CB 3.3Å; D186-S188 WeakPolarHBondContact OD1-CB 3.41Å; D186-S188 PolarHBondContact OD1-N 2.63Å; D186-S188 PolarHBondContact OD1-OG 2.83Å
187	P	55.3	Low	46.9	Very low	85 Å²	85	101.3 Å²	101.3	55%	0.552	58%	0.577	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.1	-5.5	-176.1	32.1	-39.2	0	0	0	114.5	F206	P187-F206 HydrophobicContact CB-CD1 3.98Å; P187-F206 HydrophobicContact CB-CE1 3.87Å; P187-F206 HydrophobicContact CG-CD1 3.83Å; P187-F206 HydrophobicContact CG-CD2 4.44Å; P187-F206 HydrophobicContact CG-CE1 3.6Å; P187-F206 HydrophobicContact CG-CE2 4.26Å; P187-F206 HydrophobicContact CG-CG 4.26Å; P187-F206 HydrophobicContact CG-CZ 3.85Å
188	S	59	Low	48.7	Very low	98 Å²	98	99.2 Å²	99.2	69%	0.685	57%	0.565	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.5	-1.1	-173.2	72	0	0	0	0	115.4	D186	D186-S188 PolarHBondContact O-N 3.14Å; D186-S188 VanDerWaalsContact O-N 3.16Å; D186-S188 VanDerWaalsContact OD1-CB 3.3Å; D186-S188 WeakPolarHBondContact OD1-CB 3.41Å; D186-S188 PolarHBondContact OD1-N 2.63Å; D186-S188 PolarHBondContact OD1-OG 2.83Å
189	N	52.6	Low	50.6	Low	98 Å²	98	92.8 Å²	92.8	52%	0.524	54%	0.539	S	S	.	.			trans	-136.5	107.5	-179.6	-172.2	11.1	0	0	0	112.5	N191 A192	N189-N191 PolarHBondContact O-N 2.84Å; N189-A192 PolarHBondContact O-N 2.83Å
190	P	46.7	Very low	52.1	Low	123 Å²	123	92.5 Å²	92.5	80%	0.799	53%	0.528	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-14.9	-167.8	-27.2	35.7	0	0	0	117.6
191	N	52.4	Low	53.9	Low	144 Å²	144	88.2 Å²	88.2	77%	0.77	52%	0.515	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.7	23.9	-175.2	-64.3	10	0	0	0	112.8	N189	N189-N191 PolarHBondContact O-N 2.84Å
192	A	55.9	Low	54.9	Low	53 Å²	53	85.5 Å²	85.5	44%	0.438	50%	0.504	S	S	.	.	S	Bend	trans	-78.3	-27	-179.5	0	0	0	0	0	113.9	N189	N189-A192 PolarHBondContact O-N 2.83Å
193	C	56	Low	55.5	Low	23 Å²	23	88.2 Å²	88.2	16%	0.155	51%	0.51	C	S	.	.	S	Bend	trans	-99.5	152.7	174.4	-49.2	0	0	0	0	110.6	E197 C208	C193-E197 HydrophobicContact CB-CB 3.49Å; C193-E197 VanDerWaalsContact CB-CB 3.49Å; C193-E197 WeakPolarHBondContact CB-OE2 3.21Å; C193-C208 VanDerWaalsContact CA-SG 3.56Å; C193-C208 HydrophobicContact CB-CB 3.88Å; C193-C208 WeakPolarHBondContact CB-SG 3.48Å; C193-C208 WeakPolarHBondContact SG-CB 3.28Å; C193-C208 CovalentContact SG-SG 2.04Å; C193-C208 PolarHBondContact SG-SG 2.8Å
194	K	52.3	Low	55.9	Low	156 Å²	156	84.7 Å²	84.7	68%	0.678	50%	0.504	S	S	*	.	S	Bend	trans	-107.5	97.2	-169.4	-90.8	-172	173.8	-176.8	0	113.3
195	G	52.3	Low	56	Low	45 Å²	45	87.4 Å²	87.4	46%	0.464	51%	0.508	S	S	.	.	S	Bend	trans	73.9	131.7	179.3	0	0	0	0	0	111.4	E197 C222	G195-E197 PolarHBondContact O-N 3.1Å; G195-C222 WeakPolarHBondContact O-CB 3.28Å
196	A	54.6	Low	56.4	Low	49 Å²	49	89.3 Å²	89.3	41%	0.405	51%	0.514	S	S	.	.	S	Bend	trans	50.4	-27.9	179.1	0	0	0	0	0	120.4	P211 C222	A196-P211 WeakPolarHBondContact O-CD 3.32Å; A196-P211 WeakPolarHBondContact O-CG 3.02Å; A196-C222 HydrophobicContact CB-CB 4.11Å; A196-C222 WeakPolarHBondContact CB-O 3.47Å
197	E	55.2	Low	56.7	Low	22 Å²	22	89.1 Å²	89.1	10%	0.103	51%	0.512	C	S	.	.			trans	-68.3	148.7	-170.4	-74.1	166.3	-164.3	0	0	114.8	C193 G195 H209 R216 C222	C193-E197 HydrophobicContact CB-CB 3.49Å; C193-E197 VanDerWaalsContact CB-CB 3.49Å; C193-E197 WeakPolarHBondContact CB-OE2 3.21Å; G195-E197 PolarHBondContact O-N 3.1Å; E197-H209 CarbonylContact C-O 3.38Å; E197-H209 VanDerWaalsContact CA-O 3.3Å; E197-H209 WeakPolarHBondContact CA-O 3.44Å; E197-R216 VanDerWaalsContact CD-NH2 3.26Å; E197-R216 IonicContact OE1-CZ 2.83Å; E197-R216 VanDerWaalsContact OE1-CZ 3.23Å; E197-R216 IonicContact OE1-NE 3.23Å; E197-R216 PolarHBondContact OE1-NE 2.81Å; E197-R216 IonicContact OE1-NH2 2.91Å; E197-R216 PolarHBondContact OE1-NH2 2.88Å; E197-R216 IonicContact OE2-CZ 2.94Å; E197-R216 IonicContact OE2-NH2 3.26Å; E197-R216 PolarHBondContact OE2-NH2 3.08Å; E197-C222 HydrophobicContact CG-CB 3.72Å
198	K	62.9	Low	57.4	Low	131 Å²	131	86.4 Å²	86.4	57%	0.57	50%	0.495	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120.1	138.2	176.1	-65.5	172.9	-175.8	167.4	0	110.1	H209	K198-H209 PolarHBondContact N-O 2.82Å; K198-H209 PolarHBondContact O-N 3.24Å
199	C	67	Low	57.6	Low	41 Å²	41	87.3 Å²	87.3	28%	0.277	49%	0.488	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	125.6	177	-178.3	0	0	0	0	110	C185	C185-C199 HydrophobicContact CB-CB 3.95Å; C185-C199 WeakPolarHBondContact CB-SG 3.23Å; C185-C199 WeakPolarHBondContact SG-CA 3.01Å; C185-C199 WeakPolarHBondContact SG-CB 3.33Å; C185-C199 CovalentContact SG-SG 2.03Å; C185-C199 PolarHBondContact SG-SG 3.23Å
200	M	58.2	Low	58.3	Low	98 Å²	98	83.7 Å²	83.7	48%	0.483	47%	0.47	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	155.8	-177.4	-64.8	-166.9	-77.1	0	0	112	F206 I207 H209	M200-F206 CarbonylContact O-C 3.58Å; M200-F206 WeakPolarHBondContact O-CA 2.97Å; M200-I207 PolarHBondContact N-O 3.26Å; M200-I207 PolarHBondContact O-N 3.3Å; M200-H209 HydrophobicContact CE-CB 3.78Å
201	E	65.6	Low	58.8	Low	124 Å²	124	78.8 Å²	78.8	58%	0.579	44%	0.439	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.3	128.2	-175.3	-164.2	178.4	171.2	0	0	111.7	F206	E201-F206 HydrophobicContact CB-CD1 3.7Å; E201-F206 HydrophobicContact CB-CE1 3.51Å; E201-F206 HydrophobicContact CB-CG 4.43Å; E201-F206 HydrophobicContact CB-CZ 4.09Å; E201-F206 HydrophobicContact CG-CD1 3.98Å; E201-F206 HydrophobicContact CG-CD2 4.38Å; E201-F206 HydrophobicContact CG-CE1 3.63Å; E201-F206 HydrophobicContact CG-CE2 4.06Å; E201-F206 HydrophobicContact CG-CG 4.33Å; E201-F206 HydrophobicContact CG-CZ 3.67Å; E201-F206 WeakPolarHBondContact OE2-CE1 3.37Å; E201-F206 WeakPolarHBondContact OE2-CZ 3.26Å
202	V	54.7	Low	59.2	Low	94 Å²	94	78.8 Å²	78.8	57%	0.57	45%	0.446	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-138.9	127.4	173.9	-173.3	0	0	0	0	108.9	G204 H205	V202-G204 PolarHBondContact O-N 3.44Å; V202-G204 VanDerWaalsContact O-N 3.08Å; V202-H205 PolarHBondContact N-O 2.95Å; V202-H205 PolarHBondContact O-N 3.01Å
203	D	46.6	Very low	59	Low	165 Å²	165	80.3 Å²	80.3	88%	0.882	45%	0.447	S	S	*	.	T	Hydrogen-bonded Turn	trans	43.7	41.4	-179.8	-75.1	-12	0	0	0	115.7	H205	D203-H205 VanDerWaalsContact C-N 3.34Å
204	G	52.9	Low	58.9	Low	54 Å²	54	79.6 Å²	79.6	56%	0.557	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.9	8.9	174.2	0	0	0	0	0	115.3	V202	V202-G204 PolarHBondContact O-N 3.44Å; V202-G204 VanDerWaalsContact O-N 3.08Å
205	H	55.1	Low	58.9	Low	132 Å²	132	78.4 Å²	78.4	61%	0.611	44%	0.439	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-121.2	147.2	168.5	-73.5	-90.6	0	0	0	110.6	V202 D203	V202-H205 PolarHBondContact N-O 2.95Å; V202-H205 PolarHBondContact O-N 3.01Å; D203-H205 VanDerWaalsContact C-N 3.34Å
206	F	67.9	Low	59.1	Low	58 Å²	58	81.8 Å²	81.8	25%	0.254	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	133.5	179.8	-67.1	-93.8	0	0	0	110	S184 C185 P187 M200 E201	S184-F206 WeakPolarHBondContact CB-O 3.46Å; S184-F206 PolarHBondContact OG-O 3.13Å; C185-F206 PolarHBondContact N-O 3.16Å; C185-F206 WeakPolarHBondContact O-CB 2.98Å; P187-F206 HydrophobicContact CB-CD1 3.98Å; P187-F206 HydrophobicContact CB-CE1 3.87Å; P187-F206 HydrophobicContact CG-CD1 3.83Å; P187-F206 HydrophobicContact CG-CD2 4.44Å; P187-F206 HydrophobicContact CG-CE1 3.6Å; P187-F206 HydrophobicContact CG-CE2 4.26Å; P187-F206 HydrophobicContact CG-CG 4.26Å; P187-F206 HydrophobicContact CG-CZ 3.85Å; M200-F206 CarbonylContact O-C 3.58Å; M200-F206 WeakPolarHBondContact O-CA 2.97Å; E201-F206 HydrophobicContact CB-CD1 3.7Å; E201-F206 HydrophobicContact CB-CE1 3.51Å; E201-F206 HydrophobicContact CB-CG 4.43Å; E201-F206 HydrophobicContact CB-CZ 4.09Å; E201-F206 HydrophobicContact CG-CD1 3.98Å; E201-F206 HydrophobicContact CG-CD2 4.38Å; E201-F206 HydrophobicContact CG-CE1 3.63Å; E201-F206 HydrophobicContact CG-CE2 4.06Å; E201-F206 HydrophobicContact CG-CG 4.33Å; E201-F206 HydrophobicContact CG-CZ 3.67Å; E201-F206 WeakPolarHBondContact OE2-CE1 3.37Å; E201-F206 WeakPolarHBondContact OE2-CZ 3.26Å
207	I	66.7	Low	58.9	Low	79 Å²	79	85 Å²	85	41%	0.405	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	139.7	-172.7	-54	-179.7	0	0	0	110.7	C185 M200	C185-I207 VanDerWaalsContact SG-CA 3.51Å; C185-I207 PolarHBondContact SG-N 2.87Å; C185-I207 PolarHBondContact SG-O 2.86Å; C185-I207 VanDerWaalsContact SG-O 3.37Å; M200-I207 PolarHBondContact N-O 3.26Å; M200-I207 PolarHBondContact O-N 3.3Å
208	C	69.9	Low	58.6	Low	27 Å²	27	94 Å²	94	18%	0.182	49%	0.486	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	138.3	174.1	-71.1	0	0	0	0	110.5	C185 C193	C185-C208 WeakPolarHBondContact CB-SG 3.47Å; C185-C208 PolarHBondContact SG-N 3.47Å; C193-C208 VanDerWaalsContact CA-SG 3.56Å; C193-C208 HydrophobicContact CB-CB 3.88Å; C193-C208 WeakPolarHBondContact CB-SG 3.48Å; C193-C208 WeakPolarHBondContact SG-CB 3.28Å; C193-C208 CovalentContact SG-SG 2.04Å; C193-C208 PolarHBondContact SG-SG 2.8Å
209	H	63.9	Low	58.2	Low	118 Å²	118	93.5 Å²	93.5	55%	0.546	49%	0.489	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	143.9	-178.5	-156.1	72.7	0	0	0	111.5	E197 K198 M200	E197-H209 CarbonylContact C-O 3.38Å; E197-H209 VanDerWaalsContact CA-O 3.3Å; E197-H209 WeakPolarHBondContact CA-O 3.44Å; K198-H209 PolarHBondContact N-O 2.82Å; K198-H209 PolarHBondContact O-N 3.24Å; M200-H209 HydrophobicContact CE-CB 3.78Å
210	C	66.5	Low	57.5	Low	22 Å²	22	92.3 Å²	92.3	15%	0.149	48%	0.484	C	S	.	.			trans	-69.6	154.7	174.7	-73.5	0	0	0	0	111.8	A214 C222	C210-A214 HydrophobicContact CB-CB 4.47Å; C210-A214 WeakPolarHBondContact CB-O 3.12Å; C210-C222 WeakPolarHBondContact CB-SG 3.05Å; C210-C222 WeakPolarHBondContact SG-CB 3.25Å; C210-C222 CovalentContact SG-SG 2.04Å; C210-C222 PolarHBondContact SG-SG 3.2Å
211	P	58.6	Low	57.6	Low	20 Å²	20	90.6 Å²	90.6	13%	0.13	48%	0.479	C	S	.	.			trans	-60.4	155.2	161.1	-19.3	32.5	0	0	0	111.3	A196 N213 A214	A196-P211 WeakPolarHBondContact O-CD 3.32Å; A196-P211 WeakPolarHBondContact O-CG 3.02Å; P211-N213 PolarHBondContact O-N 3.35Å; P211-A214 PolarHBondContact O-N 3.04Å; P211-A214 VanDerWaalsContact O-N 3.12Å
212	P	59.8	Low	57	Low	144 Å²	144	85 Å²	85	94%	0.935	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.1	3	-172.6	28.9	-37.2	0	0	0	115.9
213	N	51.7	Low	57	Low	85 Å²	85	81.5 Å²	81.5	46%	0.455	43%	0.432	S	S	.	.	T	Hydrogen-bonded Turn	trans	-129.8	33.9	176.1	56.2	-19.3	0	0	0	112.1	P211 I225	P211-N213 PolarHBondContact O-N 3.35Å; N213-I225 PolarHBondContact O-N 3Å; N213-I225 VanDerWaalsContact O-N 3.09Å
214	A	55.4	Low	57.4	Low	7 Å²	7	77.4 Å²	77.4	6%	0.058	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	141.5	172.9	0	0	0	0	0	109.8	C210 P211 T223	C210-A214 HydrophobicContact CB-CB 4.47Å; C210-A214 WeakPolarHBondContact CB-O 3.12Å; P211-A214 PolarHBondContact O-N 3.04Å; P211-A214 VanDerWaalsContact O-N 3.12Å; A214-T223 VanDerWaalsContact CA-O 3.31Å; A214-T223 WeakPolarHBondContact CA-O 3.34Å; A214-T223 WeakPolarHBondContact CB-O 3.42Å
215	E	52.5	Low	57.5	Low	131 Å²	131	78.1 Å²	78.1	61%	0.612	40%	0.399	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115.9	165.5	173.5	-77.6	-164.9	136.4	0	0	111.8	C222 T223 I225	E215-C222 WeakPolarHBondContact O-CA 3.36Å; E215-T223 PolarHBondContact O-N 3.22Å; E215-I225 HydrophobicContact CB-CD1 3.97Å; E215-I225 HydrophobicContact CG-CD1 3.81Å
216	R	55.6	Low	57.5	Low	116 Å²	116	73.7 Å²	73.7	44%	0.438	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	120.9	-179	-176.6	-163.1	-109.3	-155.4	1.7	110.5	E197 T221	E197-R216 VanDerWaalsContact CD-NH2 3.26Å; E197-R216 IonicContact OE1-CZ 2.83Å; E197-R216 VanDerWaalsContact OE1-CZ 3.23Å; E197-R216 IonicContact OE1-NE 3.23Å; E197-R216 PolarHBondContact OE1-NE 2.81Å; E197-R216 IonicContact OE1-NH2 2.91Å; E197-R216 PolarHBondContact OE1-NH2 2.88Å; E197-R216 IonicContact OE2-CZ 2.94Å; E197-R216 IonicContact OE2-NH2 3.26Å; E197-R216 PolarHBondContact OE2-NH2 3.08Å; R216-T221 WeakPolarHBondContact CA-O 3.48Å
217	F	50.4	Low	57.1	Low	118 Å²	118	73.1 Å²	73.1	52%	0.518	39%	0.386	S	S	.	.			trans	-83.9	169.2	175.5	-79.2	-98.6	0	0	0	112.7	D219 G220 T221 L246	F217-D219 PolarHBondContact O-N 3.2Å; F217-G220 PolarHBondContact O-N 2.03Å; F217-T221 PolarHBondContact N-O 3.4Å; F217-L246 HydrophobicContact CD2-CD2 4.1Å; F217-L246 HydrophobicContact CE2-CD2 3.76Å; F217-L246 HydrophobicContact CZ-CD2 4.35Å
218	E	48.3	Very low	57.1	Low	211 Å²	211	70 Å²	70	99%	0.986	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-18.1	-172.9	-65.1	-167	127.6	0	0	115.3	G220	E218-G220 VanDerWaalsContact C-N 3.34Å
219	D	55.6	Low	56.5	Low	119 Å²	119	74 Å²	74	64%	0.636	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.3	-3.7	177.3	71.4	2.2	0	0	0	114.4	F217 T221	F217-D219 PolarHBondContact O-N 3.2Å; D219-T221 VanDerWaalsContact CG-OG1 3.27Å; D219-T221 VanDerWaalsContact OD1-CB 3.3Å; D219-T221 WeakPolarHBondContact OD1-CB 3.15Å; D219-T221 PolarHBondContact OD1-N 2.81Å; D219-T221 VanDerWaalsContact OD1-N 3.08Å; D219-T221 PolarHBondContact OD1-OG1 2.79Å; D219-T221 PolarHBondContact OD2-OG1 3.05Å
220	G	52.3	Low	56	Low	17 Å²	17	77.4 Å²	77.4	18%	0.175	40%	0.399	C	S	.	.	S	Bend	trans	81.4	29.1	179.1	0	0	0	0	0	114.1	F217 E218	F217-G220 PolarHBondContact O-N 2.03Å; E218-G220 VanDerWaalsContact C-N 3.34Å
221	T	58.9	Low	55.2	Low	61 Å²	61	83.5 Å²	83.5	37%	0.374	43%	0.43	S	S	.	.			trans	-108.4	132.9	173.5	-35.6	0	0	0	0	110.2	R216 F217 D219	R216-T221 WeakPolarHBondContact CA-O 3.48Å; F217-T221 PolarHBondContact N-O 3.4Å; D219-T221 VanDerWaalsContact CG-OG1 3.27Å; D219-T221 VanDerWaalsContact OD1-CB 3.3Å; D219-T221 WeakPolarHBondContact OD1-CB 3.15Å; D219-T221 PolarHBondContact OD1-N 2.81Å; D219-T221 VanDerWaalsContact OD1-N 3.08Å; D219-T221 PolarHBondContact OD1-OG1 2.79Å; D219-T221 PolarHBondContact OD2-OG1 3.05Å
222	C	54.3	Low	54.7	Low	7 Å²	7	92 Å²	92	5%	0.047	47%	0.467	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	128.7	175.8	-176.6	0	0	0	0	110.8	G195 A196 E197 C210 E215	G195-C222 WeakPolarHBondContact O-CB 3.28Å; A196-C222 HydrophobicContact CB-CB 4.11Å; A196-C222 WeakPolarHBondContact CB-O 3.47Å; E197-C222 HydrophobicContact CG-CB 3.72Å; C210-C222 WeakPolarHBondContact CB-SG 3.05Å; C210-C222 WeakPolarHBondContact SG-CB 3.25Å; C210-C222 CovalentContact SG-SG 2.04Å; C210-C222 PolarHBondContact SG-SG 3.2Å; E215-C222 WeakPolarHBondContact O-CA 3.36Å
223	T	55.2	Low	54.4	Low	21 Å²	21	89.9 Å²	89.9	13%	0.129	45%	0.452	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	143	-166	43.1	0	0	0	0	112.2	A214 E215 I225 L246	A214-T223 VanDerWaalsContact CA-O 3.31Å; A214-T223 WeakPolarHBondContact CA-O 3.34Å; A214-T223 WeakPolarHBondContact CB-O 3.42Å; E215-T223 PolarHBondContact O-N 3.22Å; T223-I225 PolarHBondContact O-N 3.06Å; T223-L246 HydrophobicContact CG2-CD2 4.25Å; T223-L246 VanDerWaalsContact OG1-CD2 3.25Å; T223-L246 WeakPolarHBondContact OG1-CD2 3.34Å; T223-L246 WeakPolarHBondContact OG1-CG 3.38Å
224	M	54.9	Low	55	Low	79 Å²	79	87.7 Å²	87.7	39%	0.389	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.8	130.9	-179.4	-69.1	-65.3	-56.5	0	0	111.3
225	I	53.9	Low	55.5	Low	69 Å²	69	94 Å²	94	35%	0.354	47%	0.469	S	S	.	.	S	Bend	trans	-88.7	-42.6	-179.1	-70	168.3	0	0	0	112.2	N213 E215 T223 N244	N213-I225 PolarHBondContact O-N 3Å; N213-I225 VanDerWaalsContact O-N 3.09Å; E215-I225 HydrophobicContact CB-CD1 3.97Å; E215-I225 HydrophobicContact CG-CD1 3.81Å; T223-I225 PolarHBondContact O-N 3.06Å; I225-N244 WeakPolarHBondContact O-CB 3.16Å
226	N	54.3	Low	56.6	Low	39 Å²	39	89.2 Å²	89.2	21%	0.209	45%	0.449	C	S	.	.			trans	-110.9	126	176.6	-84.2	15.2	0	0	0	113.2	D229 N244 E1879	N226-D229 WeakPolarHBondContact CB-OD2 3.25Å; N226-D229 PolarHBondContact ND2-OD2 2.66Å; N226-N244 VanDerWaalsContact CG-ND2 3.28Å; N226-N244 PolarHBondContact OD1-ND2 2.92Å; N226-E1879 PolarHBondContact ND2-OE2 3.2Å; N226-E1879 VanDerWaalsContact ND2-OE2 3.12Å
227	A	59.6	Low	57.3	Low	46 Å²	46	86 Å²	86	38%	0.38	44%	0.441	S	S	.	.			trans	-116.1	-22.4	172	0	0	0	0	0	113	D229 N244	A227-D229 PolarHBondContact O-N 2.85Å; A227-N244 WeakPolarHBondContact CA-OD1 3.14Å; A227-N244 PolarHBondContact N-OD1 2.85Å
228	C	66.8	Low	58.3	Low	13 Å²	13	89.3 Å²	89.3	9%	0.088	46%	0.455	C	S	.	.	S	Bend	trans	-65.8	-18.8	177.8	-64.7	0	0	0	0	114.3	R230 N234 C242 N244	C228-R230 PolarHBondContact O-N 2.54Å; C228-N234 PolarHBondContact O-ND2 3.02Å; C228-C242 HydrophobicContact CB-CB 3.86Å; C228-C242 WeakPolarHBondContact CB-SG 3.44Å; C228-C242 WeakPolarHBondContact SG-CB 2.95Å; C228-C242 PolarHBondContact SG-O 3.43Å; C228-C242 CovalentContact SG-SG 2.03Å; C228-C242 PolarHBondContact SG-SG 2.83Å; C228-N244 PolarHBondContact N-OD1 3.01Å; C228-N244 PolarHBondContact SG-OD1 3.15Å
229	D	57.7	Low	59.3	Low	110 Å²	110	82.5 Å²	82.5	59%	0.588	43%	0.425	S	S	*	.			trans	-72.2	28.6	-176.2	-61.7	-29.5	0	0	0	115	N226 A227	N226-D229 WeakPolarHBondContact CB-OD2 3.25Å; N226-D229 PolarHBondContact ND2-OD2 2.66Å; A227-D229 PolarHBondContact O-N 2.85Å
230	R	54.1	Low	60.1	Low	191 Å²	191	77.3 Å²	77.3	72%	0.721	40%	0.399	S	S	*	.			trans	-139.5	77.5	177.7	-71.8	-167.3	174.8	-165.3	-0.5	112.1	C228 E232 T233 N234	C228-R230 PolarHBondContact O-N 2.54Å; R230-E232 PolarHBondContact O-N 3.48Å; R230-T233 PolarHBondContact O-N 2.92Å; R230-T233 PolarHBondContact O-OG1 2.05Å; R230-T233 VanDerWaalsContact O-OG1 3.08Å; R230-N234 PolarHBondContact O-OD1 3.07Å
231	N	48.4	Very low	61.2	Low	150 Å²	150	80 Å²	80	80%	0.802	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.1	2	-178.4	-74.5	1.3	0	0	0	118.6
232	E	49.5	Very low	62.1	Low	197 Å²	197	78.7 Å²	78.7	92%	0.921	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.5	5.9	174.5	-63.4	-170.2	147.5	0	0	113.1	R230	R230-E232 PolarHBondContact O-N 3.48Å
233	T	53.5	Low	62.6	Low	101 Å²	101	80 Å²	80	62%	0.62	41%	0.414	S	S	*	.	S	Bend	trans	-140.6	-1.9	-172.2	46.8	0	0	0	0	117.4	R230	R230-T233 PolarHBondContact O-N 2.92Å; R230-T233 PolarHBondContact O-OG1 2.05Å; R230-T233 VanDerWaalsContact O-OG1 3.08Å
234	N	63.2	Low	62.5	Low	38 Å²	38	81.1 Å²	81.1	20%	0.203	42%	0.42	C	S	.	.			trans	-106.5	113.5	176.3	51.3	-24.3	0	0	0	111.8	C228 R230 C236 Y249	C228-N234 PolarHBondContact O-ND2 3.02Å; R230-N234 PolarHBondContact O-OD1 3.07Å; N234-C236 PolarHBondContact O-N 3.15Å; N234-C236 VanDerWaalsContact O-N 3.09Å; N234-Y249 HydrophobicContact CB-CD2 4.18Å; N234-Y249 HydrophobicContact CB-CE1 4.33Å; N234-Y249 HydrophobicContact CB-CE2 3.82Å
235	E	65.8	Low	62.6	Low	139 Å²	139	81.8 Å²	81.8	65%	0.65	42%	0.424	S	S	*	.			trans	-85.5	34.9	-174.6	-38.8	172.3	157.5	0	0	113.1	Y249 R270	E235-Y249 PolarHBondContact N-OH 2.62Å; E235-Y249 VanDerWaalsContact N-OH 3.15Å; E235-R270 VanDerWaalsContact O-CD 3.22Å; E235-R270 WeakPolarHBondContact O-CD 3.41Å; E235-R270 VanDerWaalsContact O-CG 3.29Å; E235-R270 WeakPolarHBondContact O-CG 3.12Å; E235-R270 IonicContact OE2-CZ 2.71Å; E235-R270 IonicContact OE2-NH1 2.81Å; E235-R270 PolarHBondContact OE2-NH1 3.06Å
236	C	76.1	Confident	62.3	Low	31 Å²	31	82.6 Å²	82.6	21%	0.209	43%	0.428	C	S	.	.			trans	-74.8	155.4	176.5	-61.7	0	0	0	0	111.8	N234 C242 C251	N234-C236 PolarHBondContact O-N 3.15Å; N234-C236 VanDerWaalsContact O-N 3.09Å; C236-C242 HydrophobicContact CB-CB 4.46Å; C236-C242 VanDerWaalsContact SG-SG 3.62Å; C236-C251 WeakPolarHBondContact CA-SG 3.49Å; C236-C251 HydrophobicContact CB-CB 3.66Å; C236-C251 WeakPolarHBondContact CB-SG 3.24Å; C236-C251 WeakPolarHBondContact SG-CB 3.3Å; C236-C251 CovalentContact SG-SG 2.04Å; C236-C251 PolarHBondContact SG-SG 3.4Å
237	D	71.1	Confident	62.1	Low	48 Å²	48	87 Å²	87	26%	0.257	45%	0.452	S	S	.	.			trans	-70.8	153.7	170.1	-163.8	-89.4	0	0	0	111.3	N239 A240 G269 K271	D237-N239 PolarHBondContact O-N 3.27Å; D237-N239 WeakPolarHBondContact OD1-CB 2.91Å; D237-N239 PolarHBondContact OD1-N 3.06Å; D237-A240 HydrophobicContact CB-CB 4.08Å; D237-A240 PolarHBondContact O-N 2.98Å; D237-A240 VanDerWaalsContact O-N 3.09Å; D237-G269 PolarHBondContact N-O 2.83Å; D237-K271 WeakPolarHBondContact OD2-CA 3.01Å
238	K	71.8	Confident	61.9	Low	189 Å²	189	87.4 Å²	87.4	82%	0.822	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-28.4	176.3	-55	-178.1	-177.2	-175.9	0	112.5
239	N	68.9	Low	62	Low	67 Å²	67	89.8 Å²	89.8	36%	0.358	46%	0.46	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.6	5.5	178.4	-64.6	-10	0	0	0	112.5	D237 K254 F257 C272	D237-N239 PolarHBondContact O-N 3.27Å; D237-N239 WeakPolarHBondContact OD1-CB 2.91Å; D237-N239 PolarHBondContact OD1-N 3.06Å; N239-K254 WeakPolarHBondContact O-CG 3.11Å; N239-K254 PolarHBondContact O-N 2.91Å; N239-F257 HydrophobicContact CB-CD1 4.39Å; N239-F257 HydrophobicContact CB-CE1 4.44Å; N239-C272 HydrophobicContact CB-CB 3.95Å
240	A	72.8	Confident	62.6	Low	11 Å²	11	85.7 Å²	85.7	9%	0.091	44%	0.439	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	146.7	168.4	0	0	0	0	0	111.9	D237 C251 Q252 G269	D237-A240 HydrophobicContact CB-CB 4.08Å; D237-A240 PolarHBondContact O-N 2.98Å; D237-A240 VanDerWaalsContact O-N 3.09Å; A240-C251 HydrophobicContact CB-CB 4.15Å; A240-Q252 CarbonylContact C-O 3.56Å; A240-Q252 WeakPolarHBondContact CA-O 3.33Å; A240-Q252 WeakPolarHBondContact CB-O 3.03Å; A240-G269 WeakPolarHBondContact CB-O 3.05Å
241	V	74.2	Confident	63.6	Low	73 Å²	73	76.7 Å²	76.7	44%	0.442	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	120.1	160.5	-173.2	0	0	0	0	107.4	S243 C251 Q252 K254	V241-S243 PolarHBondContact O-N 2.79Å; V241-C251 WeakPolarHBondContact O-CA 3.14Å; V241-Q252 PolarHBondContact N-O 2.86Å; V241-Q252 PolarHBondContact O-N 2.92Å; V241-K254 HydrophobicContact CG2-CG 3.63Å
242	C	77.8	Confident	64.7	Low	33 Å²	33	75 Å²	75	22%	0.223	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	104	165	-172.5	0	0	0	0	107.2	C228 C236 S250	C228-C242 HydrophobicContact CB-CB 3.86Å; C228-C242 WeakPolarHBondContact CB-SG 3.44Å; C228-C242 WeakPolarHBondContact SG-CB 2.95Å; C228-C242 PolarHBondContact SG-O 3.43Å; C228-C242 CovalentContact SG-SG 2.03Å; C228-C242 PolarHBondContact SG-SG 2.83Å; C236-C242 HydrophobicContact CB-CB 4.46Å; C236-C242 VanDerWaalsContact SG-SG 3.62Å; C242-S250 CarbonylContact C-O 3.47Å; C242-S250 WeakPolarHBondContact CA-O 3.41Å
243	S	64.2	Low	65.8	Low	35 Å²	35	66.7 Å²	66.7	25%	0.245	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	129.7	178.7	55.8	0	0	0	0	110.1	V241 S250	V241-S243 PolarHBondContact O-N 2.79Å; S243-S250 PolarHBondContact N-O 3.09Å; S243-S250 PolarHBondContact O-N 2.84Å
244	N	53.7	Low	66.3	Low	45 Å²	45	65.7 Å²	65.7	24%	0.241	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	137.5	-178.6	-61.8	-66.3	0	0	0	111.3	I225 N226 A227 C228	I225-N244 WeakPolarHBondContact O-CB 3.16Å; N226-N244 VanDerWaalsContact CG-ND2 3.28Å; N226-N244 PolarHBondContact OD1-ND2 2.92Å; A227-N244 WeakPolarHBondContact CA-OD1 3.14Å; A227-N244 PolarHBondContact N-OD1 2.85Å; C228-N244 PolarHBondContact N-OD1 3.01Å; C228-N244 PolarHBondContact SG-OD1 3.15Å
245	I	57.4	Low	66	Low	92 Å²	92	70 Å²	70	47%	0.472	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	134	174.9	-56.4	179.6	0	0	0	105.7	D247 S248	I245-D247 PolarHBondContact O-N 3.49Å; I245-S248 PolarHBondContact N-O 2.88Å; I245-S248 CarbonylContact O-C 3.55Å; I245-S248 WeakPolarHBondContact O-CA 3.4Å; I245-S248 PolarHBondContact O-N 2.64Å; I245-S248 PolarHBondContact O-OG 3.05Å
246	L	47.5	Very low	65.3	Low	86 Å²	86	64 Å²	64	45%	0.45	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-37.7	121.1	-174.9	-80.1	61	0	0	0	112.9	F217 T223 S248	F217-L246 HydrophobicContact CD2-CD2 4.1Å; F217-L246 HydrophobicContact CE2-CD2 3.76Å; F217-L246 HydrophobicContact CZ-CD2 4.35Å; T223-L246 HydrophobicContact CG2-CD2 4.25Å; T223-L246 VanDerWaalsContact OG1-CD2 3.25Å; T223-L246 WeakPolarHBondContact OG1-CD2 3.34Å; T223-L246 WeakPolarHBondContact OG1-CG 3.38Å; L246-S248 VanDerWaalsContact C-N 3.31Å; L246-S248 PolarHBondContact O-N 2.98Å
247	D	49.8	Very low	64.7	Low	131 Å²	131	65 Å²	65	70%	0.701	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	62	18.8	-175.4	-85.4	6.8	0	0	0	117	I245	I245-D247 PolarHBondContact O-N 3.49Å
248	S	56.1	Low	64.5	Low	56 Å²	56	66.2 Å²	66.2	39%	0.392	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.3	-175.5	176.6	65.1	0	0	0	0	113.7	I245 L246	I245-S248 PolarHBondContact N-O 2.88Å; I245-S248 CarbonylContact O-C 3.55Å; I245-S248 WeakPolarHBondContact O-CA 3.4Å; I245-S248 PolarHBondContact O-N 2.64Å; I245-S248 PolarHBondContact O-OG 3.05Å; L246-S248 VanDerWaalsContact C-N 3.31Å; L246-S248 PolarHBondContact O-N 2.98Å
249	Y	68.5	Low	64.2	Low	63 Å²	63	59.1 Å²	59.1	25%	0.247	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	140.9	166.7	69.9	-85.5	0	0	0	110	N234 E235 R270	N234-Y249 HydrophobicContact CB-CD2 4.18Å; N234-Y249 HydrophobicContact CB-CE1 4.33Å; N234-Y249 HydrophobicContact CB-CE2 3.82Å; E235-Y249 PolarHBondContact N-OH 2.62Å; E235-Y249 VanDerWaalsContact N-OH 3.15Å; Y249-R270 PolarHBondContact OH-NH2 3.13Å; Y249-R270 VanDerWaalsContact OH-NH2 3.15Å
250	S	69.2	Low	64.3	Low	23 Å²	23	58.9 Å²	58.9	16%	0.161	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	156.1	167.9	-178.5	0	0	0	0	108.9	C242 S243	C242-S250 CarbonylContact C-O 3.47Å; C242-S250 WeakPolarHBondContact CA-O 3.41Å; S243-S250 PolarHBondContact N-O 3.09Å; S243-S250 PolarHBondContact O-N 2.84Å
251	C	75.4	Confident	64	Low	2 Å²	2	58.8 Å²	58.8	1%	0.014	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	134.6	164	-33.6	0	0	0	0	106.5	C236 A240 V241 P268 G269	C236-C251 WeakPolarHBondContact CA-SG 3.49Å; C236-C251 HydrophobicContact CB-CB 3.66Å; C236-C251 WeakPolarHBondContact CB-SG 3.24Å; C236-C251 WeakPolarHBondContact SG-CB 3.3Å; C236-C251 CovalentContact SG-SG 2.04Å; C236-C251 PolarHBondContact SG-SG 3.4Å; A240-C251 HydrophobicContact CB-CB 4.15Å; V241-C251 WeakPolarHBondContact O-CA 3.14Å; C251-P268 VanDerWaalsContact CB-O 3.32Å; C251-P268 WeakPolarHBondContact CB-O 3.22Å; C251-P268 CarbonylContact O-C 3.56Å; C251-P268 WeakPolarHBondContact O-CB 3.36Å; C251-P268 WeakPolarHBondContact O-CG 3.33Å; C251-P268 VanDerWaalsContact O-O 3.13Å; C251-G269 WeakPolarHBondContact CB-O 3.47Å; C251-G269 PolarHBondContact O-N 2.77Å
252	Q	72.6	Confident	63.7	Low	116 Å²	116	62 Å²	62	54%	0.542	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	140.6	169.6	-78.2	179.3	-79.1	0	0	108.8	A240 V241	A240-Q252 CarbonylContact C-O 3.56Å; A240-Q252 WeakPolarHBondContact CA-O 3.33Å; A240-Q252 WeakPolarHBondContact CB-O 3.03Å; V241-Q252 PolarHBondContact N-O 2.86Å; V241-Q252 PolarHBondContact O-N 2.92Å
253	C	71.8	Confident	63	Low	22 Å²	22	63.3 Å²	63.3	15%	0.149	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.8	144.6	173.1	-61	0	0	0	0	110.5	F257 I258 D259 C272	C253-F257 HydrophobicContact CB-CB 3.89Å; C253-F257 WeakPolarHBondContact CB-O 3.07Å; C253-I258 PolarHBondContact SG-O 2.58Å; C253-D259 VanDerWaalsContact SG-CA 3.51Å; C253-C272 WeakPolarHBondContact CA-SG 3.41Å; C253-C272 HydrophobicContact CB-CB 3.77Å; C253-C272 WeakPolarHBondContact CB-SG 3.46Å; C253-C272 VanDerWaalsContact SG-CA 3.6Å; C253-C272 WeakPolarHBondContact SG-CB 3.37Å; C253-C272 CovalentContact SG-SG 2.03Å; C253-C272 PolarHBondContact SG-SG 2.85Å
254	K	64.1	Low	62.6	Low	80 Å²	80	64.7 Å²	64.7	35%	0.348	35%	0.354	S	S	.	.	P	Polyproline II helix	trans	-60.3	153.8	176.7	-71.6	164	-177.6	169.1	0	110	N239 V241 F257	N239-K254 WeakPolarHBondContact O-CG 3.11Å; N239-K254 PolarHBondContact O-N 2.91Å; V241-K254 HydrophobicContact CG2-CG 3.63Å; K254-F257 HydrophobicContact CB-CD2 4.19Å; K254-F257 WeakPolarHBondContact O-CA 3.1Å; K254-F257 WeakPolarHBondContact O-CB 3.43Å; K254-F257 PolarHBondContact O-N 3.24Å
255	P	57.5	Low	62.8	Low	128 Å²	128	68.9 Å²	68.9	83%	0.831	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.6	142.4	164.3	-24.7	35.2	0	0	0	110.2	F257	P255-F257 VanDerWaalsContact C-N 3.3Å
256	G	51.3	Low	62.9	Low	14 Å²	14	71.5 Å²	71.5	14%	0.144	39%	0.389	C	S	.	.	T	Hydrogen-bonded Turn	trans	75.1	10.4	-163.5	0	0	0	0	0	114.4	E274 V275 D2207	G256-E274 VanDerWaalsContact O-CA 3.3Å; G256-E274 WeakPolarHBondContact O-CA 3.44Å; G256-E274 WeakPolarHBondContact O-CG 3.24Å; G256-V275 WeakPolarHBondContact O-CG1 3.43Å; G256-V275 WeakPolarHBondContact O-CG2 3.09Å; G256-D2207 WeakPolarHBondContact CA-OD2 3.19Å; G256-D2207 PolarHBondContact N-OD2 3.36Å
257	F	62.1	Low	63.9	Low	52 Å²	52	71.5 Å²	71.5	23%	0.228	39%	0.389	C	S	.	.			trans	-139	128.4	173.5	-69.8	-102.6	0	0	0	112.5	N239 C253 K254 P255 C272 K273 E274	N239-F257 HydrophobicContact CB-CD1 4.39Å; N239-F257 HydrophobicContact CB-CE1 4.44Å; C253-F257 HydrophobicContact CB-CB 3.89Å; C253-F257 WeakPolarHBondContact CB-O 3.07Å; K254-F257 HydrophobicContact CB-CD2 4.19Å; K254-F257 WeakPolarHBondContact O-CA 3.1Å; K254-F257 WeakPolarHBondContact O-CB 3.43Å; K254-F257 PolarHBondContact O-N 3.24Å; P255-F257 VanDerWaalsContact C-N 3.3Å; F257-C272 HydrophobicContact CB-CB 4.13Å; F257-C272 HydrophobicContact CD1-CB 4.24Å; F257-K273 CarbonylContact C-O 3.57Å; F257-K273 VanDerWaalsContact CA-O 3.22Å; F257-K273 WeakPolarHBondContact CA-O 3.36Å; F257-K273 VanDerWaalsContact CD1-C 3.46Å; F257-E274 HydrophobicContact CD1-CB 4.12Å; F257-E274 HydrophobicContact CD1-CG 4.45Å; F257-E274 HydrophobicContact CD2-CG 4.32Å; F257-E274 HydrophobicContact CE1-CB 3.71Å; F257-E274 HydrophobicContact CE1-CG 3.97Å; F257-E274 HydrophobicContact CE2-CB 4.45Å; F257-E274 HydrophobicContact CE2-CG 3.81Å; F257-E274 HydrophobicContact CZ-CB 3.88Å; F257-E274 HydrophobicContact CZ-CG 3.61Å
258	I	67.2	Low	64.9	Low	72 Å²	72	66.9 Å²	66.9	37%	0.369	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	154	170.5	-149	169.1	0	0	0	111.3	C253 T260 C272 K273 K2210	C253-I258 PolarHBondContact SG-O 2.58Å; I258-T260 HydrophobicContact CG2-CG2 3.98Å; I258-C272 VanDerWaalsContact O-CA 3.31Å; I258-C272 WeakPolarHBondContact O-CA 3.4Å; I258-K273 PolarHBondContact N-O 3.5Å; I258-K273 PolarHBondContact O-N 3.46Å; I258-K273 VanDerWaalsContact O-N 3.07Å; I258-K2210 HydrophobicContact CB-CD 3.74Å; I258-K2210 HydrophobicContact CD1-CD 4.26Å; I258-K2210 HydrophobicContact CG2-CD 3.25Å
259	D	67	Low	65.6	Low	40 Å²	40	64.2 Å²	64.2	21%	0.214	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	130.4	171	-153.1	-38.6	0	0	0	113	C253 S261 P264 P268 G269	C253-D259 VanDerWaalsContact SG-CA 3.51Å; D259-S261 WeakPolarHBondContact OD1-CB 3.4Å; D259-S261 PolarHBondContact OD1-N 3.19Å; D259-S261 PolarHBondContact OD1-OG 2.92Å; D259-P264 HydrophobicContact CB-CB 4.44Å; D259-P268 WeakPolarHBondContact OD2-CA 3.37Å; D259-P268 WeakPolarHBondContact OD2-CB 3.49Å; D259-G269 PolarHBondContact OD2-N 2.81Å
260	T	70.5	Confident	65.9	Low	62 Å²	62	63.8 Å²	63.8	38%	0.38	35%	0.346	S	S	.	.			trans	-130	19.9	176.5	54.7	0	0	0	0	112.2	I258 K271 K273	I258-T260 HydrophobicContact CG2-CG2 3.98Å; T260-K271 PolarHBondContact N-O 2.83Å; T260-K271 VanDerWaalsContact OG1-C 3.25Å; T260-K271 WeakPolarHBondContact OG1-CB 3.17Å; T260-K271 PolarHBondContact OG1-O 3.3Å; T260-K271 VanDerWaalsContact OG1-O 3.09Å; T260-K273 HydrophobicContact CG2-CB 4.38Å
261	S	66.6	Low	65.9	Low	9 Å²	9	66.8 Å²	66.8	6%	0.063	36%	0.356	C	S	.	.			trans	-62.3	158	176.1	-50	0	0	0	0	111.7	D259 D263 P264 L267 G269 R270 K271	D259-S261 WeakPolarHBondContact OD1-CB 3.4Å; D259-S261 PolarHBondContact OD1-N 3.19Å; D259-S261 PolarHBondContact OD1-OG 2.92Å; S261-D263 PolarHBondContact O-N 3.43Å; S261-P264 VanDerWaalsContact O-CD 3.24Å; S261-P264 WeakPolarHBondContact O-CD 3.22Å; S261-P264 VanDerWaalsContact O-CG 3.28Å; S261-P264 WeakPolarHBondContact O-CG 3.49Å; S261-L267 VanDerWaalsContact CB-O 3.24Å; S261-L267 WeakPolarHBondContact CB-O 3.17Å; S261-L267 PolarHBondContact OG-O 2.7Å; S261-G269 PolarHBondContact OG-N 3.01Å; S261-R270 WeakPolarHBondContact OG-CA 3.08Å; S261-R270 PolarHBondContact OG-N 2.64Å; S261-K271 PolarHBondContact OG-N 2.81Å; S261-K271 VanDerWaalsContact OG-N 3.1Å
262	D	67.7	Low	65.8	Low	141 Å²	141	67.6 Å²	67.6	75%	0.754	36%	0.361	S	S	*	.	S	Bend	trans	-74.8	-8.9	-172.2	-59.4	-36.2	0	0	0	114.2	K271	D262-K271 IonicContact OD1-NZ 2.84Å; D262-K271 PolarHBondContact OD1-NZ 2.85Å; D262-K271 IonicContact OD2-NZ 3.33Å; D262-K271 PolarHBondContact OD2-NZ 3.3Å
263	D	63.6	Low	65.2	Low	61 Å²	61	66.9 Å²	66.9	33%	0.326	36%	0.356	S	S	.	.	S	Bend	trans	-150.3	77.5	167.5	-172.9	-8.9	0	0	0	109.5	S261 V265 K266 L267	S261-D263 PolarHBondContact O-N 3.43Å; D263-V265 PolarHBondContact O-N 2.89Å; D263-K266 PolarHBondContact O-N 3.47Å; D263-K266 IonicContact OD1-NZ 2.78Å; D263-K266 PolarHBondContact OD1-NZ 2.81Å; D263-K266 IonicContact OD2-NZ 3.98Å; D263-K266 PolarHBondContact OD2-NZ 2.84Å; D263-L267 PolarHBondContact O-N 2.04Å
264	P	54	Low	64.4	Low	64 Å²	64	71 Å²	71	42%	0.416	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-17.9	-170.4	-24.4	34.8	0	0	0	114.8	D259 S261	D259-P264 HydrophobicContact CB-CB 4.44Å; S261-P264 VanDerWaalsContact O-CD 3.24Å; S261-P264 WeakPolarHBondContact O-CD 3.22Å; S261-P264 VanDerWaalsContact O-CG 3.28Å; S261-P264 WeakPolarHBondContact O-CG 3.49Å
265	V	59.6	Low	64.1	Low	133 Å²	133	68.8 Å²	68.8	81%	0.806	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.4	-11.4	-178.5	-173.5	0	0	0	0	112	D263	D263-V265 PolarHBondContact O-N 2.89Å
266	K	59.3	Low	63.9	Low	147 Å²	147	65.4 Å²	65.4	64%	0.639	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-133	-29.8	-179.2	-63.2	-171	-145	70.7	0	115.2	D263	D263-K266 PolarHBondContact O-N 3.47Å; D263-K266 IonicContact OD1-NZ 2.78Å; D263-K266 PolarHBondContact OD1-NZ 2.81Å; D263-K266 IonicContact OD2-NZ 3.98Å; D263-K266 PolarHBondContact OD2-NZ 2.84Å
267	L	67.4	Low	64.3	Low	86 Å²	86	67.8 Å²	67.8	45%	0.45	35%	0.353	S	S	.	.	S	Bend	trans	-130.3	61.6	175.6	-65.3	173.5	0	0	0	109.1	S261 D263	S261-L267 VanDerWaalsContact CB-O 3.24Å; S261-L267 WeakPolarHBondContact CB-O 3.17Å; S261-L267 PolarHBondContact OG-O 2.7Å; D263-L267 PolarHBondContact O-N 2.04Å
268	P	72.4	Confident	64.5	Low	34 Å²	34	65.3 Å²	65.3	22%	0.221	34%	0.342	C	S	.	.			trans	-61.2	165.1	173.9	27.3	-34.6	0	0	0	112.1	C251 D259 R270	C251-P268 VanDerWaalsContact CB-O 3.32Å; C251-P268 WeakPolarHBondContact CB-O 3.22Å; C251-P268 CarbonylContact O-C 3.56Å; C251-P268 WeakPolarHBondContact O-CB 3.36Å; C251-P268 WeakPolarHBondContact O-CG 3.33Å; C251-P268 VanDerWaalsContact O-O 3.13Å; D259-P268 WeakPolarHBondContact OD2-CA 3.37Å; D259-P268 WeakPolarHBondContact OD2-CB 3.49Å; P268-R270 VanDerWaalsContact C-N 3.32Å; P268-R270 PolarHBondContact O-N 2.76Å
269	G	69.4	Low	64.6	Low	0 Å²	0	62.7 Å²	62.7	0%	0	33%	0.33	C	S	.	.	S	Bend	trans	60.5	30.8	172.2	0	0	0	0	0	115.3	D237 A240 C251 D259 S261	D237-G269 PolarHBondContact N-O 2.83Å; A240-G269 WeakPolarHBondContact CB-O 3.05Å; C251-G269 WeakPolarHBondContact CB-O 3.47Å; C251-G269 PolarHBondContact O-N 2.77Å; D259-G269 PolarHBondContact OD2-N 2.81Å; S261-G269 PolarHBondContact OG-N 3.01Å
270	R	75.2	Confident	64	Low	54 Å²	54	61.8 Å²	61.8	20%	0.204	33%	0.328	C	S	.	.	S	Bend	trans	-105.9	-4.6	173.2	-53.3	-162.8	178.5	-155.6	-10.9	113.6	E235 Y249 S261 P268	E235-R270 VanDerWaalsContact O-CD 3.22Å; E235-R270 WeakPolarHBondContact O-CD 3.41Å; E235-R270 VanDerWaalsContact O-CG 3.29Å; E235-R270 WeakPolarHBondContact O-CG 3.12Å; E235-R270 IonicContact OE2-CZ 2.71Å; E235-R270 IonicContact OE2-NH1 2.81Å; E235-R270 PolarHBondContact OE2-NH1 3.06Å; Y249-R270 PolarHBondContact OH-NH2 3.13Å; Y249-R270 VanDerWaalsContact OH-NH2 3.15Å; S261-R270 WeakPolarHBondContact OG-CA 3.08Å; S261-R270 PolarHBondContact OG-N 2.64Å; P268-R270 VanDerWaalsContact C-N 3.32Å; P268-R270 PolarHBondContact O-N 2.76Å
271	K	69	Low	63.1	Low	86 Å²	86	58.9 Å²	58.9	37%	0.374	31%	0.31	S	S	.	.	S	Bend	trans	-153.8	139.8	158.8	-54.4	177.6	-166.6	157.8	0	110.6	D237 T260 S261 D262	D237-K271 WeakPolarHBondContact OD2-CA 3.01Å; T260-K271 PolarHBondContact N-O 2.83Å; T260-K271 VanDerWaalsContact OG1-C 3.25Å; T260-K271 WeakPolarHBondContact OG1-CB 3.17Å; T260-K271 PolarHBondContact OG1-O 3.3Å; T260-K271 VanDerWaalsContact OG1-O 3.09Å; S261-K271 PolarHBondContact OG-N 2.81Å; S261-K271 VanDerWaalsContact OG-N 3.1Å; D262-K271 IonicContact OD1-NZ 2.84Å; D262-K271 PolarHBondContact OD1-NZ 2.85Å; D262-K271 IonicContact OD2-NZ 3.33Å; D262-K271 PolarHBondContact OD2-NZ 3.3Å
272	C	73.5	Confident	62.6	Low	18 Å²	18	59.7 Å²	59.7	12%	0.122	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	148.2	-174.9	-59.6	0	0	0	0	114.8	N239 C253 F257 I258	N239-C272 HydrophobicContact CB-CB 3.95Å; C253-C272 WeakPolarHBondContact CA-SG 3.41Å; C253-C272 HydrophobicContact CB-CB 3.77Å; C253-C272 WeakPolarHBondContact CB-SG 3.46Å; C253-C272 VanDerWaalsContact SG-CA 3.6Å; C253-C272 WeakPolarHBondContact SG-CB 3.37Å; C253-C272 CovalentContact SG-SG 2.03Å; C253-C272 PolarHBondContact SG-SG 2.85Å; F257-C272 HydrophobicContact CB-CB 4.13Å; F257-C272 HydrophobicContact CD1-CB 4.24Å; I258-C272 VanDerWaalsContact O-CA 3.31Å; I258-C272 WeakPolarHBondContact O-CA 3.4Å
273	K	59.2	Low	61.9	Low	101 Å²	101	53.8 Å²	53.8	44%	0.439	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	145.7	-179.7	-167.9	-159.6	171.7	-163.3	0	114.8	F257 I258 T260 K2210	F257-K273 CarbonylContact C-O 3.57Å; F257-K273 VanDerWaalsContact CA-O 3.22Å; F257-K273 WeakPolarHBondContact CA-O 3.36Å; F257-K273 VanDerWaalsContact CD1-C 3.46Å; I258-K273 PolarHBondContact N-O 3.5Å; I258-K273 PolarHBondContact O-N 3.46Å; I258-K273 VanDerWaalsContact O-N 3.07Å; T260-K273 HydrophobicContact CG2-CB 4.38Å; K273-K2210 VanDerWaalsContact O-CE 3.24Å; K273-K2210 WeakPolarHBondContact O-CE 3.37Å; K273-K2210 PolarHBondContact O-NZ 2.76Å
274	E	56.8	Low	61.5	Low	108 Å²	108	50.9 Å²	50.9	51%	0.505	27%	0.268	S	S	.	.			trans	-90.8	-170.6	-170.5	-143.5	-173.2	167	0	0	119.5	G256 F257 K2210	G256-E274 VanDerWaalsContact O-CA 3.3Å; G256-E274 WeakPolarHBondContact O-CA 3.44Å; G256-E274 WeakPolarHBondContact O-CG 3.24Å; F257-E274 HydrophobicContact CD1-CB 4.12Å; F257-E274 HydrophobicContact CD1-CG 4.45Å; F257-E274 HydrophobicContact CD2-CG 4.32Å; F257-E274 HydrophobicContact CE1-CB 3.71Å; F257-E274 HydrophobicContact CE1-CG 3.97Å; F257-E274 HydrophobicContact CE2-CB 4.45Å; F257-E274 HydrophobicContact CE2-CG 3.81Å; F257-E274 HydrophobicContact CZ-CB 3.88Å; F257-E274 HydrophobicContact CZ-CG 3.61Å; E274-K2210 WeakPolarHBondContact O-CE 3.48Å; E274-K2210 PolarHBondContact O-NZ 2.71Å
275	V	57.7	Low	62	Low	34 Å²	34	47.9 Å²	47.9	21%	0.206	25%	0.248	C	C	.	.			trans	-158.5	174	-138.5	-66.1	0	0	0	0	118	G256 D2207	G256-V275 WeakPolarHBondContact O-CG1 3.43Å; G256-V275 WeakPolarHBondContact O-CG2 3.09Å; V275-D2207 HydrophobicContact CB-CB 4.35Å; V275-D2207 WeakPolarHBondContact CB-OD1 3.07Å; V275-D2207 HydrophobicContact CG1-CB 4.03Å; V275-D2207 WeakPolarHBondContact CG1-O 3Å; V275-D2207 WeakPolarHBondContact CG1-OD1 3.22Å; V275-D2207 WeakPolarHBondContact CG2-OD1 3.26Å
276	V	51.7	Low	62.5	Low	58 Å²	58	41.8 Å²	41.8	35%	0.352	21%	0.211	S	C	.	.	B	Isolated β-bridge	trans	-144.4	-125	139.6	-160.9	0	0	0	0	113.9	A280 S2204 W2205 S2206 D2207	V276-A280 HydrophobicContact CG1-CB 4.27Å; V276-S2204 VanDerWaalsContact CG2-CB 3.4Å; V276-W2205 CarbonylContact C-O 3.46Å; V276-W2205 WeakPolarHBondContact CA-O 3.32Å; V276-W2205 PolarHBondContact N-O 2.94Å; V276-S2206 CarbonylContact O-C 3.54Å; V276-S2206 WeakPolarHBondContact O-CA 3.47Å; V276-D2207 PolarHBondContact O-N 3.45Å
277	N	60.5	Low	63.2	Low	64 Å²	64	34.8 Å²	34.8	34%	0.342	18%	0.181	S	C	.	.			trans	-146.2	161.6	-169.9	175.2	-99.3	0	0	0	114.5	C279 A280 D295 W2205 S2206	N277-C279 VanDerWaalsContact OD1-C 3.25Å; N277-C279 PolarHBondContact OD1-N 3.45Å; N277-C279 VanDerWaalsContact OD1-N 3.1Å; N277-A280 HydrophobicContact CB-CB 3.6Å; N277-A280 PolarHBondContact O-N 2.81Å; N277-D295 PolarHBondContact ND2-OD2 3.25Å; N277-D295 PolarHBondContact OD1-OD2 3.25Å; N277-W2205 PolarHBondContact N-O 3.17Å; N277-W2205 VanDerWaalsContact N-O 3.15Å; N277-W2205 CarbonylContact O-C 3.37Å; N277-S2206 VanDerWaalsContact CA-CA 3.4Å; N277-S2206 PolarHBondContact O-N 3.09Å
278	E	65.3	Low	63.3	Low	0 Å²	0	31 Å²	31	0%	0	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.3	-13.8	-171.5	-128.3	90.5	-90.5	0	0	116	D295 Y300 S2206 I2209 P2259 Q2266	E278-D295 WeakPolarHBondContact CB-OD1 3.15Å; E278-D295 PolarHBondContact N-OD2 2.97Å; E278-Y300 HydrophobicContact CG-CD1 4.35Å; E278-S2206 VanDerWaalsContact OE1-CB 3.23Å; E278-S2206 WeakPolarHBondContact OE1-CB 2.93Å; E278-S2206 PolarHBondContact OE1-N 2.86Å; E278-S2206 PolarHBondContact OE1-OG 2.79Å; E278-S2206 WeakPolarHBondContact OE2-CB 3.39Å; E278-S2206 PolarHBondContact OE2-OG 2.97Å; E278-I2209 VanDerWaalsContact OE1-CD1 3.25Å; E278-I2209 WeakPolarHBondContact OE1-CD1 2.96Å; E278-P2259 HydrophobicContact CG-CB 3.93Å; E278-P2259 HydrophobicContact CG-CG 3.88Å; E278-P2259 WeakPolarHBondContact OE1-CG 3.47Å; E278-Q2266 VanDerWaalsContact C-OE1 3.22Å; E278-Q2266 VanDerWaalsContact O-CD 3.23Å; E278-Q2266 PolarHBondContact O-NE2 3.24Å; E278-Q2266 PolarHBondContact O-OE1 2.03Å
279	C	70.1	Confident	63	Low	16 Å²	16	30.7 Å²	30.7	11%	0.108	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.9	48	147.8	-50	0	0	0	0	108.7	N277 C293 D295 Q2266	N277-C279 VanDerWaalsContact OD1-C 3.25Å; N277-C279 PolarHBondContact OD1-N 3.45Å; N277-C279 VanDerWaalsContact OD1-N 3.1Å; C279-C293 HydrophobicContact CB-CB 4.19Å; C279-C293 WeakPolarHBondContact CB-SG 3.5Å; C279-C293 WeakPolarHBondContact SG-CB 3.41Å; C279-C293 CovalentContact SG-SG 2.06Å; C279-C293 PolarHBondContact SG-SG 3.42Å; C279-D295 HydrophobicContact CB-CB 4.39Å; C279-D295 PolarHBondContact N-OD2 3.22Å; C279-D295 VanDerWaalsContact SG-CB 3.58Å; C279-D295 PolarHBondContact SG-N 3.45Å; C279-D295 VanDerWaalsContact SG-N 3.42Å; C279-Q2266 VanDerWaalsContact CA-CD 3.45Å; C279-Q2266 WeakPolarHBondContact O-CB 3.35Å
280	A	54.5	Low	62.8	Low	22 Å²	22	34.2 Å²	34.2	18%	0.182	17%	0.174	C	C	.	.	S	Bend	trans	-145.5	27.6	172.2	0	0	0	0	0	121.6	V276 N277 S2204 Q2266	V276-A280 HydrophobicContact CG1-CB 4.27Å; N277-A280 HydrophobicContact CB-CB 3.6Å; N277-A280 PolarHBondContact O-N 2.81Å; A280-S2204 CarbonylContact C-O 2.91Å; A280-S2204 PolarHBondContact O-OG 2.93Å; A280-Q2266 CarbonylContact C-O 3.39Å; A280-Q2266 VanDerWaalsContact CA-CB 3.42Å; A280-Q2266 WeakPolarHBondContact CA-O 3.14Å; A280-Q2266 VanDerWaalsContact O-O 3.11Å
281	S	52.6	Low	62.4	Low	1 Å²	1	31.6 Å²	31.6	1%	0.007	16%	0.164	C	C	.	.	S	Bend	trans	-136.8	138.8	143.7	168.6	0	0	0	0	109.1	T283 L284 S2204 Q2266 W2267	S281-T283 CarbonylContact O-C 3.47Å; S281-T283 WeakPolarHBondContact O-CA 3.41Å; S281-T283 PolarHBondContact O-N 3.06Å; S281-T283 PolarHBondContact O-OG1 2.88Å; S281-T283 PolarHBondContact OG-OG1 2.8Å; S281-L284 WeakPolarHBondContact O-CG 3.47Å; S281-L284 PolarHBondContact O-N 2.79Å; S281-L284 VanDerWaalsContact O-N 3.09Å; S281-S2204 VanDerWaalsContact CB-O 3.23Å; S281-S2204 WeakPolarHBondContact CB-O 3.3Å; S281-Q2266 VanDerWaalsContact C-CB 3.43Å; S281-Q2266 CarbonylContact C-O 3.55Å; S281-Q2266 VanDerWaalsContact CA-C 3.46Å; S281-Q2266 WeakPolarHBondContact CA-O 3.16Å; S281-Q2266 PolarHBondContact N-O 2.88Å; S281-Q2266 VanDerWaalsContact N-O 3.08Å; S281-Q2266 VanDerWaalsContact O-CB 3.28Å; S281-Q2266 WeakPolarHBondContact O-CB 3.48Å; S281-Q2266 WeakPolarHBondContact O-CG 3.29Å; S281-Q2266 PolarHBondContact O-OE1 2.94Å; S281-W2267 PolarHBondContact OG-NE1 3.46Å
282	V	55.7	Low	62.6	Low	25 Å²	25	29.8 Å²	29.8	15%	0.152	16%	0.157	C	C	.	.	S	Bend	trans	-62.3	28.4	-163.4	118.2	0	0	0	0	117.2	F2262 D2263 P2264 W2267	V282-F2262 CarbonylContact O-C 3.48Å; V282-F2262 WeakPolarHBondContact O-CA 3.5Å; V282-D2263 CarbonylContact C-O 3.55Å; V282-D2263 VanDerWaalsContact CA-O 3.23Å; V282-D2263 WeakPolarHBondContact CA-O 3.08Å; V282-D2263 CarbonylContact O-C 3.48Å; V282-D2263 PolarHBondContact O-N 3.09Å; V282-P2264 VanDerWaalsContact CG2-C 3.5Å; V282-P2264 HydrophobicContact CG2-CB 4.41Å; V282-P2264 WeakPolarHBondContact CG2-O 3.2Å; V282-W2267 VanDerWaalsContact CA-N 3.31Å; V282-W2267 HydrophobicContact CB-CB 3.57Å; V282-W2267 HydrophobicContact CB-CD2 3.52Å; V282-W2267 HydrophobicContact CB-CE3 3.62Å; V282-W2267 HydrophobicContact CB-CG 3.52Å; V282-W2267 HydrophobicContact CB-CZ3 4.43Å; V282-W2267 HydrophobicContact CG1-CB 4.33Å; V282-W2267 HydrophobicContact CG1-CD2 3.58Å; V282-W2267 HydrophobicContact CG1-CE3 3.1Å; V282-W2267 HydrophobicContact CG1-CG 4.12Å; V282-W2267 HydrophobicContact CG1-CH2 4.39Å; V282-W2267 HydrophobicContact CG1-CZ3 3.56Å; V282-W2267 HydrophobicContact CG2-CB 4.04Å; V282-W2267 VanDerWaalsContact N-CG 3.29Å
283	T	52.2	Low	62.6	Low	18 Å²	18	29.2 Å²	29.2	11%	0.11	15%	0.153	C	C	.	.	S	Bend	trans	-174.3	27.1	-135.5	49.2	0	0	0	0	108.8	S281 N2260 P2261 W2267	S281-T283 CarbonylContact O-C 3.47Å; S281-T283 WeakPolarHBondContact O-CA 3.41Å; S281-T283 PolarHBondContact O-N 3.06Å; S281-T283 PolarHBondContact O-OG1 2.88Å; S281-T283 PolarHBondContact OG-OG1 2.8Å; T283-N2260 CarbonylContact C-O 3.56Å; T283-N2260 VanDerWaalsContact CA-O 3.26Å; T283-N2260 WeakPolarHBondContact CA-O 3.38Å; T283-N2260 CarbonylContact O-C 2.85Å; T283-N2260 VanDerWaalsContact O-C 3.24Å; T283-N2260 VanDerWaalsContact O-O 3.08Å; T283-P2261 VanDerWaalsContact CA-CA 3.44Å; T283-P2261 WeakPolarHBondContact CG2-O 3.48Å; T283-P2261 WeakPolarHBondContact O-CA 3.42Å; T283-W2267 HydrophobicContact CG2-CD2 4.39Å; T283-W2267 HydrophobicContact CG2-CE3 4.46Å; T283-W2267 HydrophobicContact CG2-CH2 3.29Å; T283-W2267 HydrophobicContact CG2-CZ2 3.21Å; T283-W2267 HydrophobicContact CG2-CZ3 3.94Å; T283-W2267 WeakPolarHBondContact OG1-CZ2 3.47Å; T283-W2267 PolarHBondContact OG1-NE1 2.89Å
284	L	56.4	Low	63.1	Low	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.153	C	C	.	.	S	Bend	trans	-135.4	6.1	172.9	-57.8	-179.6	0	0	0	115.3	S281 Y300 S2204 W2205 P2259 N2260 Q2266	S281-L284 WeakPolarHBondContact O-CG 3.47Å; S281-L284 PolarHBondContact O-N 2.79Å; S281-L284 VanDerWaalsContact O-N 3.09Å; L284-Y300 WeakPolarHBondContact O-CE1 3.17Å; L284-S2204 WeakPolarHBondContact CD1-O 3.21Å; L284-W2205 HydrophobicContact CD1-CB 3.84Å; L284-W2205 HydrophobicContact CD1-CD2 4.45Å; L284-W2205 HydrophobicContact CD1-CG 3.73Å; L284-W2205 HydrophobicContact CD2-CB 4.44Å; L284-W2205 VanDerWaalsContact CD2-CD1 3.46Å; L284-W2205 HydrophobicContact CD2-CD2 3.45Å; L284-W2205 VanDerWaalsContact CD2-CD2 3.45Å; L284-W2205 HydrophobicContact CD2-CE3 4.07Å; L284-W2205 HydrophobicContact CD2-CG 3.58Å; L284-W2205 HydrophobicContact CD2-CH2 4.43Å; L284-W2205 HydrophobicContact CD2-CZ2 3.87Å; L284-W2205 VanDerWaalsContact CD2-NE1 3.33Å; L284-W2205 HydrophobicContact CG-CG 4.35Å; L284-P2259 HydrophobicContact CB-CB 3.18Å; L284-P2259 HydrophobicContact CB-CG 4.12Å; L284-P2259 HydrophobicContact CD1-CB 4.37Å; L284-P2259 HydrophobicContact CD1-CG 4.5Å; L284-P2259 HydrophobicContact CD2-CB 3.51Å; L284-P2259 HydrophobicContact CD2-CG 3.76Å; L284-P2259 HydrophobicContact CG-CB 3.79Å; L284-P2259 HydrophobicContact CG-CG 4.31Å; L284-P2259 CarbonylContact O-C 3.53Å; L284-P2259 WeakPolarHBondContact O-CA 3.28Å; L284-P2259 WeakPolarHBondContact O-CB 2.83Å; L284-N2260 CarbonylContact C-O 3.26Å; L284-N2260 WeakPolarHBondContact CA-O 3.31Å; L284-N2260 PolarHBondContact N-O 3.27Å; L284-N2260 PolarHBondContact O-N 3.23Å; L284-Q2266 VanDerWaalsContact CB-OE1 3.3Å
285	N	64.4	Low	63.3	Low	0 Å²	0	25.9 Å²	25.9	0%	0	14%	0.142	C	C	.	.			trans	-144	147.4	172.5	84	69.5	0	0	0	111.5	C287 C293 Y300 N2260 D2263 Q2266	N285-C287 WeakPolarHBondContact OD1-CB 3.03Å; N285-C287 PolarHBondContact OD1-N 3.5Å; N285-C287 PolarHBondContact OD1-SG 3.14Å; N285-C293 VanDerWaalsContact ND2-CB 3.3Å; N285-C293 WeakPolarHBondContact ND2-CB 3.43Å; N285-C293 PolarHBondContact ND2-SG 3.28Å; N285-Y300 HydrophobicContact CB-CD1 3.87Å; N285-Y300 HydrophobicContact CB-CD2 3.51Å; N285-Y300 HydrophobicContact CB-CE1 3.95Å; N285-Y300 HydrophobicContact CB-CE2 3.56Å; N285-Y300 HydrophobicContact CB-CG 3.67Å; N285-N2260 PolarHBondContact N-O 3.44Å; N285-N2260 VanDerWaalsContact N-O 3.1Å; N285-N2260 PolarHBondContact O-ND2 3.47Å; N285-D2263 VanDerWaalsContact CG-CB 3.48Å; N285-D2263 WeakPolarHBondContact ND2-CB 3.47Å; N285-D2263 PolarHBondContact ND2-OD1 3.03Å; N285-D2263 WeakPolarHBondContact O-CB 3.01Å; N285-D2263 PolarHBondContact O-N 3.46Å; N285-D2263 WeakPolarHBondContact OD1-CB 3.43Å; N285-D2263 PolarHBondContact OD1-OD1 3.02Å; N285-Q2266 PolarHBondContact ND2-NE2 2.93Å
286	D	68.6	Low	63.2	Low	5 Å²	5	27.6 Å²	27.6	3%	0.027	15%	0.153	C	C	.	.			trans	-102.9	31.1	180	58.1	-10.5	0	0	0	111.7	Y300 R321 W2233 E2234 N2260	D286-Y300 WeakPolarHBondContact OD1-CE2 3.4Å; D286-Y300 PolarHBondContact OD1-OH 2.81Å; D286-R321 VanDerWaalsContact CG-CZ 3.43Å; D286-R321 WeakPolarHBondContact O-CD 3.08Å; D286-R321 IonicContact OD1-CZ 2.74Å; D286-R321 IonicContact OD1-NE 3.96Å; D286-R321 PolarHBondContact OD1-NE 2.97Å; D286-R321 IonicContact OD1-NH1 2.66Å; D286-R321 PolarHBondContact OD1-NH1 3.37Å; D286-R321 IonicContact OD1-NH2 2.89Å; D286-R321 PolarHBondContact OD1-NH2 3.12Å; D286-R321 IonicContact OD2-CZ 3.94Å; D286-R321 IonicContact OD2-NH1 3.08Å; D286-R321 PolarHBondContact OD2-NH1 2.92Å; D286-R321 IonicContact OD2-NH2 3.58Å; D286-W2233 HydrophobicContact CB-CZ3 3.94Å; D286-E2234 HydrophobicContact CB-CG 4.04Å; D286-N2260 VanDerWaalsContact CA-ND2 3.28Å; D286-N2260 WeakPolarHBondContact CA-ND2 3.31Å; D286-N2260 HydrophobicContact CB-CB 3.64Å; D286-N2260 WeakPolarHBondContact CB-ND2 3.44Å
287	C	75.7	Confident	63	Low	0 Å²	0	35.7 Å²	35.7	0%	0	18%	0.177	C	C	.	.			trans	-61.8	155.5	164.5	-54.9	0	0	0	0	110.1	N285 A291 C302	N285-C287 WeakPolarHBondContact OD1-CB 3.03Å; N285-C287 PolarHBondContact OD1-N 3.5Å; N285-C287 PolarHBondContact OD1-SG 3.14Å; C287-A291 HydrophobicContact CB-CB 4.06Å; C287-C302 WeakPolarHBondContact CA-SG 3.23Å; C287-C302 HydrophobicContact CB-CB 3.62Å; C287-C302 WeakPolarHBondContact CB-SG 3.33Å; C287-C302 PolarHBondContact N-SG 3.49Å; C287-C302 VanDerWaalsContact N-SG 3.44Å; C287-C302 WeakPolarHBondContact SG-CA 3.38Å; C287-C302 WeakPolarHBondContact SG-CB 3.18Å; C287-C302 CovalentContact SG-SG 2.03Å; C287-C302 PolarHBondContact SG-SG 3.05Å
288	S	68.5	Low	62.7	Low	7 Å²	7	40.4 Å²	40.4	5%	0.049	20%	0.197	C	C	.	.			trans	-64.3	147.3	176.2	-154.6	0	0	0	0	110.2	Y290 A291 G320 R321 C323	S288-Y290 PolarHBondContact O-N 2.83Å; S288-A291 VanDerWaalsContact O-CB 3.29Å; S288-A291 WeakPolarHBondContact O-CB 3.15Å; S288-A291 PolarHBondContact O-N 3.3Å; S288-G320 WeakPolarHBondContact CB-O 3.22Å; S288-G320 PolarHBondContact N-O 3.48Å; S288-R321 VanDerWaalsContact CA-O 3.29Å; S288-R321 WeakPolarHBondContact CA-O 3.32Å; S288-R321 WeakPolarHBondContact CB-O 3.5Å; S288-R321 PolarHBondContact N-O 2.03Å; S288-R321 PolarHBondContact OG-O 2.8Å; S288-C323 VanDerWaalsContact CB-SG 3.54Å; S288-C323 PolarHBondContact OG-N 2.83Å
289	P	67.1	Low	62.2	Low	28 Å²	28	42.1 Å²	42.1	18%	0.182	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-27.7	-46.3	157.7	-42.1	40.1	0	0	0	115.9	I2279 G2280 T2281	P289-I2279 CarbonylContact O-C 3.38Å; P289-G2280 CarbonylContact O-C 3.4Å; P289-G2280 WeakPolarHBondContact O-CA 3.28Å; P289-G2280 PolarHBondContact O-N 2.84Å; P289-T2281 HydrophobicContact CB-CG2 3.59Å; P289-T2281 HydrophobicContact CG-CG2 3.62Å
290	Y	63.7	Low	62.2	Low	73 Å²	73	42 Å²	42	29%	0.286	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.3	35.7	-176.2	-47.6	-77.9	0	0	0	112.9	S288 K305 Y308 I2279	S288-Y290 PolarHBondContact O-N 2.83Å; Y290-K305 PolarHBondContact O-N 2.03Å; Y290-Y308 VanDerWaalsContact CB-CE1 3.49Å; Y290-Y308 VanDerWaalsContact CB-CG 3.4Å; Y290-Y308 AromaticContact CD1-CD1 3.8Å; Y290-Y308 HydrophobicContact CD1-CD1 3.8Å; Y290-Y308 AromaticContact CD1-CE1 3.13Å; Y290-Y308 HydrophobicContact CD1-CE1 3.13Å; Y290-Y308 HydrophobicContact CD1-CE2 4.16Å; Y290-Y308 AromaticContact CD1-CZ 3.37Å; Y290-Y308 AromaticContact CD2-CD1 3.85Å; Y290-Y308 HydrophobicContact CD2-CD1 3.85Å; Y290-Y308 AromaticContact CD2-CE1 3.78Å; Y290-Y308 HydrophobicContact CD2-CE1 3.78Å; Y290-Y308 AromaticContact CE1-CE1 3.71Å; Y290-Y308 HydrophobicContact CE1-CE1 3.71Å; Y290-Y308 AromaticContact CE1-CZ 3.95Å; Y290-Y308 HydrophobicContact CE2-CE1 4.27Å; Y290-Y308 AromaticContact CG-CD1 3.33Å; Y290-Y308 HydrophobicContact CG-CD1 3.33Å; Y290-Y308 AromaticContact CG-CE1 3.18Å; Y290-Y308 HydrophobicContact CG-CE1 3.18Å; Y290-Y308 HydrophobicContact CG-CG 4.11Å; Y290-Y308 AromaticContact CG-CZ 3.85Å; Y290-I2279 VanDerWaalsContact CD1-O 3.3Å; Y290-I2279 WeakPolarHBondContact CD1-O 3.29Å
291	A	66.6	Low	62.9	Low	0 Å²	0	43.1 Å²	43.1	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	148.7	179.2	0	0	0	0	0	112.2	C287 S288 S303 G320 S2278	C287-A291 HydrophobicContact CB-CB 4.06Å; S288-A291 VanDerWaalsContact O-CB 3.29Å; S288-A291 WeakPolarHBondContact O-CB 3.15Å; S288-A291 PolarHBondContact O-N 3.3Å; A291-S303 CarbonylContact C-O 3.53Å; A291-S303 VanDerWaalsContact CA-O 3.26Å; A291-S303 WeakPolarHBondContact CA-O 3.02Å; A291-S303 WeakPolarHBondContact CB-O 3.12Å; A291-G320 WeakPolarHBondContact CB-O 3.38Å; A291-S2278 VanDerWaalsContact O-CB 3.25Å; A291-S2278 WeakPolarHBondContact O-CB 3.25Å
292	E	73.6	Confident	64.1	Low	48 Å²	48	43.8 Å²	43.8	22%	0.224	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	123.1	170.3	-125.2	158	85	0	0	111.3	C302 S303 K305 N2277	E292-C302 WeakPolarHBondContact O-CA 3.42Å; E292-S303 PolarHBondContact N-O 2.88Å; E292-S303 PolarHBondContact O-N 3.49Å; E292-S303 VanDerWaalsContact O-N 3.09Å; E292-K305 WeakPolarHBondContact OE2-CE 3.36Å; E292-N2277 HydrophobicContact CG-CB 3.77Å; E292-N2277 PolarHBondContact OE1-ND2 3.01Å; E292-N2277 WeakPolarHBondContact OE2-CB 2.98Å; E292-N2277 PolarHBondContact OE2-ND2 3.45Å
293	C	74.7	Confident	64.8	Low	6 Å²	6	45.5 Å²	45.5	4%	0.041	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	122.5	159.6	-176.6	0	0	0	0	108.8	C279 N285 C2265	C279-C293 HydrophobicContact CB-CB 4.19Å; C279-C293 WeakPolarHBondContact CB-SG 3.5Å; C279-C293 WeakPolarHBondContact SG-CB 3.41Å; C279-C293 CovalentContact SG-SG 2.06Å; C279-C293 PolarHBondContact SG-SG 3.42Å; N285-C293 VanDerWaalsContact ND2-CB 3.3Å; N285-C293 WeakPolarHBondContact ND2-CB 3.43Å; N285-C293 PolarHBondContact ND2-SG 3.28Å; C293-C2265 HydrophobicContact CB-CB 4.04Å
294	I	69.8	Low	65.8	Low	85 Å²	85	45.6 Å²	45.6	44%	0.436	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	101.5	172.9	-56.1	176.7	0	0	0	106.4	T296 A301	I294-T296 WeakPolarHBondContact O-CG2 3.49Å; I294-A301 PolarHBondContact N-O 2.9Å; I294-A301 PolarHBondContact O-N 2.92Å
295	D	59.9	Low	65.8	Low	53 Å²	53	46.3 Å²	46.3	28%	0.283	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	140.6	179.4	-152.1	-2.5	0	0	0	110.6	N277 E278 C279	N277-D295 PolarHBondContact ND2-OD2 3.25Å; N277-D295 PolarHBondContact OD1-OD2 3.25Å; E278-D295 WeakPolarHBondContact CB-OD1 3.15Å; E278-D295 PolarHBondContact N-OD2 2.97Å; C279-D295 HydrophobicContact CB-CB 4.39Å; C279-D295 PolarHBondContact N-OD2 3.22Å; C279-D295 VanDerWaalsContact SG-CB 3.58Å; C279-D295 PolarHBondContact SG-N 3.45Å; C279-D295 VanDerWaalsContact SG-N 3.42Å
296	T	55.5	Low	65.3	Low	71 Å²	71	52.2 Å²	52.2	44%	0.436	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	166	-179.3	96.8	0	0	0	0	111.1	I294 E298 S299 A301	I294-T296 WeakPolarHBondContact O-CG2 3.49Å; T296-E298 PolarHBondContact O-N 2.71Å; T296-S299 CarbonylContact C-O 3.55Å; T296-S299 VanDerWaalsContact C-O 3.27Å; T296-S299 WeakPolarHBondContact CA-O 3.04Å; T296-S299 WeakPolarHBondContact CB-O 3.5Å; T296-S299 PolarHBondContact N-O 3.5Å; T296-S299 PolarHBondContact O-N 3Å; T296-S299 PolarHBondContact OG1-O 2.02Å; T296-A301 HydrophobicContact CG2-CB 4.29Å
297	R	48.7	Very low	64.2	Low	227 Å²	227	53.8 Å²	53.8	86%	0.857	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.9	0.1	-165.8	-139.8	-177.4	-160.8	151.4	8.1	116.3
298	E	53.4	Low	63.1	Low	164 Å²	164	56.3 Å²	56.3	77%	0.766	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-144.7	-4.6	179	-61.8	-173.3	-176.1	0	0	113.5	T296 L2257	T296-E298 PolarHBondContact O-N 2.71Å; E298-L2257 WeakPolarHBondContact O-CD2 3.15Å
299	S	53.9	Low	62.7	Low	35 Å²	35	58.5 Å²	58.5	25%	0.245	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	172.9	-177.1	174.3	-162.6	0	0	0	0	108.5	T296	T296-S299 CarbonylContact C-O 3.55Å; T296-S299 VanDerWaalsContact C-O 3.27Å; T296-S299 WeakPolarHBondContact CA-O 3.04Å; T296-S299 WeakPolarHBondContact CB-O 3.5Å; T296-S299 PolarHBondContact N-O 3.5Å; T296-S299 PolarHBondContact O-N 3Å; T296-S299 PolarHBondContact OG1-O 2.02Å
300	Y	70.7	Confident	62.5	Low	14 Å²	14	60 Å²	60	6%	0.055	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	158.9	174.2	55.1	-90.6	0	0	0	113.1	E278 L284 N285 D286	E278-Y300 HydrophobicContact CG-CD1 4.35Å; L284-Y300 WeakPolarHBondContact O-CE1 3.17Å; N285-Y300 HydrophobicContact CB-CD1 3.87Å; N285-Y300 HydrophobicContact CB-CD2 3.51Å; N285-Y300 HydrophobicContact CB-CE1 3.95Å; N285-Y300 HydrophobicContact CB-CE2 3.56Å; N285-Y300 HydrophobicContact CB-CG 3.67Å; D286-Y300 WeakPolarHBondContact OD1-CE2 3.4Å; D286-Y300 PolarHBondContact OD1-OH 2.81Å
301	A	70.4	Confident	62.5	Low	46 Å²	46	56.8 Å²	56.8	38%	0.38	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	159	170	0	0	0	0	0	110.9	I294 T296	I294-A301 PolarHBondContact N-O 2.9Å; I294-A301 PolarHBondContact O-N 2.92Å; T296-A301 HydrophobicContact CG2-CB 4.29Å
302	C	77.8	Confident	62.3	Low	15 Å²	15	56.8 Å²	56.8	10%	0.101	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	140.6	-175.5	-55.6	0	0	0	0	111.3	C287 E292 A319 G320 R321	C287-C302 WeakPolarHBondContact CA-SG 3.23Å; C287-C302 HydrophobicContact CB-CB 3.62Å; C287-C302 WeakPolarHBondContact CB-SG 3.33Å; C287-C302 PolarHBondContact N-SG 3.49Å; C287-C302 VanDerWaalsContact N-SG 3.44Å; C287-C302 WeakPolarHBondContact SG-CA 3.38Å; C287-C302 WeakPolarHBondContact SG-CB 3.18Å; C287-C302 CovalentContact SG-SG 2.03Å; C287-C302 PolarHBondContact SG-SG 3.05Å; E292-C302 WeakPolarHBondContact O-CA 3.42Å; C302-A319 WeakPolarHBondContact CB-O 3.14Å; C302-G320 WeakPolarHBondContact CB-O 3.3Å; C302-R321 PolarHBondContact SG-NE 3.19Å; C302-R321 VanDerWaalsContact SG-NE 3.37Å
303	S	69.1	Low	61.2	Low	60 Å²	60	58 Å²	58	42%	0.42	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	126.3	176.5	-176.6	0	0	0	0	110.9	A291 E292 K305	A291-S303 CarbonylContact C-O 3.53Å; A291-S303 VanDerWaalsContact CA-O 3.26Å; A291-S303 WeakPolarHBondContact CA-O 3.02Å; A291-S303 WeakPolarHBondContact CB-O 3.12Å; E292-S303 PolarHBondContact N-O 2.88Å; E292-S303 PolarHBondContact O-N 3.49Å; E292-S303 VanDerWaalsContact O-N 3.09Å; S303-K305 PolarHBondContact O-N 2.69Å
304	C	74.3	Confident	59.9	Low	21 Å²	21	64.7 Å²	64.7	14%	0.142	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-58	141.5	176.7	-57.5	0	0	0	0	111.7	Y308 D310 C323	C304-Y308 WeakPolarHBondContact CB-O 3.2Å; C304-D310 HydrophobicContact CB-CB 4.43Å; C304-D310 WeakPolarHBondContact SG-CA 3.4Å; C304-D310 WeakPolarHBondContact SG-CB 3.32Å; C304-D310 PolarHBondContact SG-N 3.43Å; C304-C323 WeakPolarHBondContact CA-SG 3.36Å; C304-C323 HydrophobicContact CB-CB 3.73Å; C304-C323 WeakPolarHBondContact CB-SG 3.24Å; C304-C323 WeakPolarHBondContact SG-CB 3.44Å; C304-C323 CovalentContact SG-SG 2.02Å; C304-C323 PolarHBondContact SG-SG 3.12Å
305	K	56.3	Low	58.9	Low	14 Å²	14	65 Å²	65	6%	0.061	35%	0.346	C	S	.	.	P	Polyproline II helix	trans	-74.9	159.9	-178.1	-92.2	-164.7	172.1	173.1	0	113.4	Y290 E292 S303 G307 Y308 N2277 S2278 I2279	Y290-K305 PolarHBondContact O-N 2.03Å; E292-K305 WeakPolarHBondContact OE2-CE 3.36Å; S303-K305 PolarHBondContact O-N 2.69Å; K305-G307 PolarHBondContact O-N 2.77Å; K305-Y308 HydrophobicContact CB-CD2 4.25Å; K305-Y308 PolarHBondContact O-N 2.72Å; K305-N2277 PolarHBondContact NZ-O 3.3Å; K305-S2278 WeakPolarHBondContact CD-O 3.49Å; K305-S2278 WeakPolarHBondContact CE-O 2.91Å; K305-S2278 VanDerWaalsContact NZ-C 3.27Å; K305-S2278 PolarHBondContact NZ-O 3.09Å; K305-I2279 HydrophobicContact CD-CG2 3.96Å
306	P	52.9	Low	58.3	Low	124 Å²	124	69.8 Å²	69.8	81%	0.805	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.8	123.3	167.2	-24	34.4	0	0	0	110.7
307	G	46.2	Very low	58.3	Low	38 Å²	38	68.3 Å²	68.3	39%	0.392	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	96.3	3.1	-172.2	0	0	0	0	0	115.4	K305 N325 T326	K305-G307 PolarHBondContact O-N 2.77Å; G307-N325 PolarHBondContact O-OD1 3.14Å; G307-T326 WeakPolarHBondContact CA-OG1 3.4Å; G307-T326 PolarHBondContact O-N 3.13Å; G307-T326 PolarHBondContact O-OG1 2.8Å
308	Y	53.2	Low	58.7	Low	53 Å²	53	61.1 Å²	61.1	21%	0.208	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	137.2	179.8	-64.2	-94.7	0	0	0	111.5	Y290 C304 K305 Y324 N325	Y290-Y308 VanDerWaalsContact CB-CE1 3.49Å; Y290-Y308 VanDerWaalsContact CB-CG 3.4Å; Y290-Y308 AromaticContact CD1-CD1 3.8Å; Y290-Y308 HydrophobicContact CD1-CD1 3.8Å; Y290-Y308 AromaticContact CD1-CE1 3.13Å; Y290-Y308 HydrophobicContact CD1-CE1 3.13Å; Y290-Y308 HydrophobicContact CD1-CE2 4.16Å; Y290-Y308 AromaticContact CD1-CZ 3.37Å; Y290-Y308 AromaticContact CD2-CD1 3.85Å; Y290-Y308 HydrophobicContact CD2-CD1 3.85Å; Y290-Y308 AromaticContact CD2-CE1 3.78Å; Y290-Y308 HydrophobicContact CD2-CE1 3.78Å; Y290-Y308 AromaticContact CE1-CE1 3.71Å; Y290-Y308 HydrophobicContact CE1-CE1 3.71Å; Y290-Y308 AromaticContact CE1-CZ 3.95Å; Y290-Y308 HydrophobicContact CE2-CE1 4.27Å; Y290-Y308 AromaticContact CG-CD1 3.33Å; Y290-Y308 HydrophobicContact CG-CD1 3.33Å; Y290-Y308 AromaticContact CG-CE1 3.18Å; Y290-Y308 HydrophobicContact CG-CE1 3.18Å; Y290-Y308 HydrophobicContact CG-CG 4.11Å; Y290-Y308 AromaticContact CG-CZ 3.85Å; C304-Y308 WeakPolarHBondContact CB-O 3.2Å; K305-Y308 HydrophobicContact CB-CD2 4.25Å; K305-Y308 PolarHBondContact O-N 2.72Å; Y308-Y324 CarbonylContact C-O 3.57Å; Y308-Y324 WeakPolarHBondContact CA-O 3.34Å; Y308-Y324 WeakPolarHBondContact CB-O 2.98Å; Y308-N325 HydrophobicContact CD1-CB 3.92Å; Y308-N325 HydrophobicContact CE1-CB 3.57Å; Y308-N325 WeakPolarHBondContact CE1-OD1 3.01Å
309	L	59.5	Low	58.9	Low	54 Å²	54	56.2 Å²	56.2	28%	0.283	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	137.2	-174.9	-149.5	91.3	0	0	0	112.2	V311 C323 Y324 T326 P348 V635	L309-V311 HydrophobicContact CD2-CG1 4.33Å; L309-V311 PolarHBondContact O-N 2.03Å; L309-C323 VanDerWaalsContact O-CA 3.3Å; L309-C323 WeakPolarHBondContact O-CA 3.08Å; L309-Y324 PolarHBondContact N-O 3.23Å; L309-Y324 PolarHBondContact O-N 2.82Å; L309-T326 HydrophobicContact CB-CG2 3.74Å; L309-T326 HydrophobicContact CD1-CG2 4.16Å; L309-P348 HydrophobicContact CD2-CB 3.68Å; L309-P348 HydrophobicContact CD2-CG 4Å; L309-V635 HydrophobicContact CD1-CG1 4.48Å
310	D	62.5	Low	59.4	Low	58 Å²	58	54.6 Å²	54.6	31%	0.31	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	107.5	176.7	-164.3	-12.8	0	0	0	112.3	C304 S312 A319 G320	C304-D310 HydrophobicContact CB-CB 4.43Å; C304-D310 WeakPolarHBondContact SG-CA 3.4Å; C304-D310 WeakPolarHBondContact SG-CB 3.32Å; C304-D310 PolarHBondContact SG-N 3.43Å; D310-S312 WeakPolarHBondContact OD1-CB 3.2Å; D310-S312 PolarHBondContact OD1-N 2.82Å; D310-S312 VanDerWaalsContact OD1-N 3.14Å; D310-S312 PolarHBondContact OD1-OG 2.82Å; D310-A319 WeakPolarHBondContact OD2-CA 3.39Å; D310-A319 VanDerWaalsContact OD2-CB 3.28Å; D310-A319 WeakPolarHBondContact OD2-CB 3.06Å; D310-G320 PolarHBondContact OD1-N 3.38Å; D310-G320 PolarHBondContact OD2-N 3.01Å
311	V	64	Low	59.3	Low	6 Å²	6	55.8 Å²	55.8	4%	0.036	32%	0.323	C	S	.	.			trans	-115	5	177.8	-65.4	0	0	0	0	113.4	L309 S313 R314 F315 K322 Y324 P348 E349	L309-V311 HydrophobicContact CD2-CG1 4.33Å; L309-V311 PolarHBondContact O-N 2.03Å; V311-S313 PolarHBondContact O-N 3Å; V311-R314 PolarHBondContact O-N 2.71Å; V311-F315 HydrophobicContact CG2-CE2 4.38Å; V311-F315 WeakPolarHBondContact O-CD2 3.38Å; V311-K322 WeakPolarHBondContact CG2-O 3.37Å; V311-K322 PolarHBondContact N-O 2.76Å; V311-Y324 HydrophobicContact CG2-CD2 4.4Å; V311-P348 HydrophobicContact CG1-CB 3.49Å; V311-P348 VanDerWaalsContact CG1-CB 3.49Å; V311-P348 WeakPolarHBondContact CG1-O 3.05Å; V311-E349 HydrophobicContact CB-CG 3.73Å; V311-E349 HydrophobicContact CG1-CG 3.96Å; V311-E349 HydrophobicContact CG2-CG 3.7Å
312	S	61.7	Low	59	Low	0 Å²	0	56.4 Å²	56.4	0%	0	32%	0.318	C	S	.	.	G	3₁₀ helix	trans	-46.4	-40.3	173.7	-39.7	0	0	0	0	112	D310 R314 F315 D316 L317 P318 R321 K322	D310-S312 WeakPolarHBondContact OD1-CB 3.2Å; D310-S312 PolarHBondContact OD1-N 2.82Å; D310-S312 VanDerWaalsContact OD1-N 3.14Å; D310-S312 PolarHBondContact OD1-OG 2.82Å; S312-R314 VanDerWaalsContact C-N 3.27Å; S312-R314 PolarHBondContact O-N 2.58Å; S312-F315 CarbonylContact O-C 3.37Å; S312-F315 PolarHBondContact O-N 3.03Å; S312-D316 PolarHBondContact O-N 3.2Å; S312-L317 CarbonylContact C-O 3.22Å; S312-L317 WeakPolarHBondContact CB-O 3.48Å; S312-L317 WeakPolarHBondContact O-CB 3.21Å; S312-L317 PolarHBondContact O-N 3.27Å; S312-P318 WeakPolarHBondContact CB-O 3.15Å; S312-P318 PolarHBondContact OG-O 2.8Å; S312-R321 PolarHBondContact OG-N 2.76Å; S312-K322 PolarHBondContact N-O 3.19Å; S312-K322 VanDerWaalsContact N-O 3.16Å; S312-K322 PolarHBondContact OG-N 3.03Å; S312-K322 PolarHBondContact OG-O 2.05Å
313	S	50.9	Low	58.3	Low	75 Å²	75	56 Å²	56	52%	0.524	32%	0.315	S	S	.	.	G	3₁₀ helix	trans	-65.3	-15	179.2	64.4	0	0	0	0	116.1	V311	V311-S313 PolarHBondContact O-N 3Å
314	R	48.1	Very low	58	Low	146 Å²	146	57.3 Å²	57.3	55%	0.551	31%	0.311	S	S	*	.	G	3₁₀ helix	trans	-87.6	-11.4	170.4	-151.4	-169.4	-69.1	164.6	5.1	112.9	V311 S312 E349	V311-R314 PolarHBondContact O-N 2.71Å; S312-R314 VanDerWaalsContact C-N 3.27Å; S312-R314 PolarHBondContact O-N 2.58Å; R314-E349 VanDerWaalsContact CB-OE1 3.29Å; R314-E349 WeakPolarHBondContact CB-OE1 3.3Å; R314-E349 WeakPolarHBondContact CD-OE1 3.07Å; R314-E349 WeakPolarHBondContact CD-OE2 3.04Å; R314-E349 IonicContact CZ-OE1 3.53Å; R314-E349 IonicContact CZ-OE2 2.69Å; R314-E349 IonicContact NE-OE1 3.36Å; R314-E349 PolarHBondContact NE-OE1 3.15Å; R314-E349 IonicContact NE-OE2 2.72Å; R314-E349 IonicContact NH1-OE1 3.92Å; R314-E349 PolarHBondContact NH1-OE1 2.75Å; R314-E349 VanDerWaalsContact NH1-OE1 3.1Å; R314-E349 IonicContact NH1-OE2 2.68Å; R314-E349 PolarHBondContact NH1-OE2 3.01Å; R314-E349 IonicContact NH2-OE1 3.13Å; R314-E349 PolarHBondContact NH2-OE1 3.28Å
315	F	46.9	Very low	57	Low	92 Å²	92	58.2 Å²	58.2	40%	0.404	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.5	15.7	175.8	-57.8	-87.5	0	0	0	112.4	V311 S312 L317 K322 E349	V311-F315 HydrophobicContact CG2-CE2 4.38Å; V311-F315 WeakPolarHBondContact O-CD2 3.38Å; S312-F315 CarbonylContact O-C 3.37Å; S312-F315 PolarHBondContact O-N 3.03Å; F315-L317 HydrophobicContact CB-CD1 4.19Å; F315-L317 HydrophobicContact CB-CG 4.33Å; F315-L317 PolarHBondContact O-N 3.23Å; F315-K322 HydrophobicContact CD2-CD 3.92Å; F315-K322 HydrophobicContact CE2-CD 3.99Å; F315-K322 HydrophobicContact CG-CD 4.3Å; F315-K322 HydrophobicContact CZ-CD 4.42Å; F315-E349 HydrophobicContact CE2-CG 3.93Å; F315-E349 HydrophobicContact CZ-CG 4.22Å
316	D	48.8	Very low	56.7	Low	153 Å²	153	60.9 Å²	60.9	82%	0.818	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.8	28.4	-173.3	-67.9	-43.3	0	0	0	114.4	S312	S312-D316 PolarHBondContact O-N 3.2Å
317	L	54.9	Low	56.5	Low	39 Å²	39	58.3 Å²	58.3	20%	0.204	31%	0.314	C	S	.	.	P	Polyproline II helix	trans	-95.9	151	176.5	-69.1	171	0	0	0	112.3	S312 F315 R321 K322	S312-L317 CarbonylContact C-O 3.22Å; S312-L317 WeakPolarHBondContact CB-O 3.48Å; S312-L317 WeakPolarHBondContact O-CB 3.21Å; S312-L317 PolarHBondContact O-N 3.27Å; F315-L317 HydrophobicContact CB-CD1 4.19Å; F315-L317 HydrophobicContact CB-CG 4.33Å; F315-L317 PolarHBondContact O-N 3.23Å; L317-R321 HydrophobicContact CB-CB 4.06Å; L317-R321 HydrophobicContact CD1-CB 4.25Å; L317-K322 HydrophobicContact CD1-CB 4.32Å
318	P	57.8	Low	57	Low	76 Å²	76	59.4 Å²	59.4	49%	0.494	31%	0.311	S	S	.	.	P	Polyproline II helix	trans	-55	161.4	167.9	-24.5	33.7	0	0	0	113.2	S312 R321	S312-P318 WeakPolarHBondContact CB-O 3.15Å; S312-P318 PolarHBondContact OG-O 2.8Å; P318-R321 HydrophobicContact CB-CG 4.02Å; P318-R321 HydrophobicContact CG-CG 4.46Å; P318-R321 WeakPolarHBondContact O-CB 3.06Å; P318-R321 WeakPolarHBondContact O-CG 3.4Å
319	A	56.2	Low	57.4	Low	62 Å²	62	57.9 Å²	57.9	51%	0.512	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56	146.4	178.3	0	0	0	0	0	112.8	C302 D310 R321	C302-A319 WeakPolarHBondContact CB-O 3.14Å; D310-A319 WeakPolarHBondContact OD2-CA 3.39Å; D310-A319 VanDerWaalsContact OD2-CB 3.28Å; D310-A319 WeakPolarHBondContact OD2-CB 3.06Å; A319-R321 VanDerWaalsContact C-N 3.29Å; A319-R321 PolarHBondContact O-N 2.93Å
320	G	64.8	Low	57.7	Low	0 Å²	0	57 Å²	57	0%	0	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	71.5	8.7	176.4	0	0	0	0	0	116.6	S288 A291 C302 D310	S288-G320 WeakPolarHBondContact CB-O 3.22Å; S288-G320 PolarHBondContact N-O 3.48Å; A291-G320 WeakPolarHBondContact CB-O 3.38Å; C302-G320 WeakPolarHBondContact CB-O 3.3Å; D310-G320 PolarHBondContact OD1-N 3.38Å; D310-G320 PolarHBondContact OD2-N 3.01Å
321	R	68.6	Low	57.4	Low	39 Å²	39	57.7 Å²	57.7	15%	0.147	32%	0.317	C	S	.	.	S	Bend	trans	-89.6	-34.7	-177.1	-57.9	-63.2	-178.2	101.7	-24.7	113.2	D286 S288 C302 S312 L317 P318 A319	D286-R321 VanDerWaalsContact CG-CZ 3.43Å; D286-R321 WeakPolarHBondContact O-CD 3.08Å; D286-R321 IonicContact OD1-CZ 2.74Å; D286-R321 IonicContact OD1-NE 3.96Å; D286-R321 PolarHBondContact OD1-NE 2.97Å; D286-R321 IonicContact OD1-NH1 2.66Å; D286-R321 PolarHBondContact OD1-NH1 3.37Å; D286-R321 IonicContact OD1-NH2 2.89Å; D286-R321 PolarHBondContact OD1-NH2 3.12Å; D286-R321 IonicContact OD2-CZ 3.94Å; D286-R321 IonicContact OD2-NH1 3.08Å; D286-R321 PolarHBondContact OD2-NH1 2.92Å; D286-R321 IonicContact OD2-NH2 3.58Å; S288-R321 VanDerWaalsContact CA-O 3.29Å; S288-R321 WeakPolarHBondContact CA-O 3.32Å; S288-R321 WeakPolarHBondContact CB-O 3.5Å; S288-R321 PolarHBondContact N-O 2.03Å; S288-R321 PolarHBondContact OG-O 2.8Å; C302-R321 PolarHBondContact SG-NE 3.19Å; C302-R321 VanDerWaalsContact SG-NE 3.37Å; S312-R321 PolarHBondContact OG-N 2.76Å; L317-R321 HydrophobicContact CB-CB 4.06Å; L317-R321 HydrophobicContact CD1-CB 4.25Å; P318-R321 HydrophobicContact CB-CG 4.02Å; P318-R321 HydrophobicContact CG-CG 4.46Å; P318-R321 WeakPolarHBondContact O-CB 3.06Å; P318-R321 WeakPolarHBondContact O-CG 3.4Å; A319-R321 VanDerWaalsContact C-N 3.29Å; A319-R321 PolarHBondContact O-N 2.93Å
322	K	65	Low	56.8	Low	60 Å²	60	59.3 Å²	59.3	26%	0.261	33%	0.327	S	S	.	.	S	Bend	trans	-129.2	99.7	171.1	-156.6	158.5	-172.7	166.8	0	109.3	V311 S312 F315 L317 E2227	V311-K322 WeakPolarHBondContact CG2-O 3.37Å; V311-K322 PolarHBondContact N-O 2.76Å; S312-K322 PolarHBondContact N-O 3.19Å; S312-K322 VanDerWaalsContact N-O 3.16Å; S312-K322 PolarHBondContact OG-N 3.03Å; S312-K322 PolarHBondContact OG-O 2.05Å; F315-K322 HydrophobicContact CD2-CD 3.92Å; F315-K322 HydrophobicContact CE2-CD 3.99Å; F315-K322 HydrophobicContact CG-CD 4.3Å; F315-K322 HydrophobicContact CZ-CD 4.42Å; L317-K322 HydrophobicContact CD1-CB 4.32Å; K322-E2227 IonicContact NZ-OE2 2.68Å
323	C	63.5	Low	56.5	Low	5 Å²	5	65.6 Å²	65.6	3%	0.034	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	120.9	179.9	-58.5	0	0	0	0	108.8	S288 C304 L309	S288-C323 VanDerWaalsContact CB-SG 3.54Å; S288-C323 PolarHBondContact OG-N 2.83Å; C304-C323 WeakPolarHBondContact CA-SG 3.36Å; C304-C323 HydrophobicContact CB-CB 3.73Å; C304-C323 WeakPolarHBondContact CB-SG 3.24Å; C304-C323 WeakPolarHBondContact SG-CB 3.44Å; C304-C323 CovalentContact SG-SG 2.02Å; C304-C323 PolarHBondContact SG-SG 3.12Å; L309-C323 VanDerWaalsContact O-CA 3.3Å; L309-C323 WeakPolarHBondContact O-CA 3.08Å
324	Y	61.1	Low	56.6	Low	88 Å²	88	67.5 Å²	67.5	35%	0.345	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	153.5	177.2	-128.1	-83.2	0	0	0	110.9	Y308 L309 V311 T326 P348 E349 G350	Y308-Y324 CarbonylContact C-O 3.57Å; Y308-Y324 WeakPolarHBondContact CA-O 3.34Å; Y308-Y324 WeakPolarHBondContact CB-O 2.98Å; L309-Y324 PolarHBondContact N-O 3.23Å; L309-Y324 PolarHBondContact O-N 2.82Å; V311-Y324 HydrophobicContact CG2-CD2 4.4Å; Y324-T326 PolarHBondContact O-N 3.17Å; Y324-P348 WeakPolarHBondContact CB-O 3.06Å; Y324-E349 HydrophobicContact CD2-CB 4.38Å; Y324-E349 WeakPolarHBondContact CE2-O 3.06Å; Y324-E349 VanDerWaalsContact CZ-C 3.46Å; Y324-E349 VanDerWaalsContact CZ-O 3.26Å; Y324-E349 PolarHBondContact OH-O 2.89Å; Y324-G350 VanDerWaalsContact CE1-N 3.25Å
325	N	53.3	Low	56.9	Low	41 Å²	41	65 Å²	65	22%	0.219	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	131	179	-156.4	-16.7	0	0	0	110.9	G307 Y308 T327	G307-N325 PolarHBondContact O-OD1 3.14Å; Y308-N325 HydrophobicContact CD1-CB 3.92Å; Y308-N325 HydrophobicContact CE1-CB 3.57Å; Y308-N325 WeakPolarHBondContact CE1-OD1 3.01Å; N325-T327 VanDerWaalsContact C-N 3.27Å; N325-T327 VanDerWaalsContact CG-CB 3.46Å; N325-T327 PolarHBondContact ND2-OG1 3.39Å; N325-T327 WeakPolarHBondContact OD1-CB 3.11Å; N325-T327 PolarHBondContact OD1-N 3.28Å; N325-T327 PolarHBondContact OD1-OG1 3.03Å
326	T	51.1	Low	57.7	Low	70 Å²	70	61.3 Å²	61.3	43%	0.429	34%	0.34	S	S	.	.			trans	-91.3	8.6	166.3	72	0	0	0	0	112.1	G307 L309 Y324 N328	G307-T326 WeakPolarHBondContact CA-OG1 3.4Å; G307-T326 PolarHBondContact O-N 3.13Å; G307-T326 PolarHBondContact O-OG1 2.8Å; L309-T326 HydrophobicContact CB-CG2 3.74Å; L309-T326 HydrophobicContact CD1-CG2 4.16Å; Y324-T326 PolarHBondContact O-N 3.17Å; T326-N328 PolarHBondContact O-N 3.46Å
327	T	48.1	Very low	58.7	Low	70 Å²	70	58.7 Å²	58.7	43%	0.429	33%	0.33	S	S	.	.	S	Bend	trans	-66.2	79.1	156	-51.6	0	0	0	0	107.8	N325 E329	N325-T327 VanDerWaalsContact C-N 3.27Å; N325-T327 VanDerWaalsContact CG-CB 3.46Å; N325-T327 PolarHBondContact ND2-OG1 3.39Å; N325-T327 WeakPolarHBondContact OD1-CB 3.11Å; N325-T327 PolarHBondContact OD1-N 3.28Å; N325-T327 PolarHBondContact OD1-OG1 3.03Å; T327-E329 PolarHBondContact O-N 3Å
328	N	57.1	Low	59.6	Low	60 Å²	60	57.9 Å²	57.9	32%	0.321	33%	0.328	S	S	.	.			trans	-36.1	109.1	179.5	172	-13.4	0	0	0	111.2	T326 C330 A331 D346	T326-N328 PolarHBondContact O-N 3.46Å; N328-C330 PolarHBondContact O-N 3.2Å; N328-C330 WeakPolarHBondContact OD1-CA 3.24Å; N328-C330 WeakPolarHBondContact OD1-CB 3.49Å; N328-C330 PolarHBondContact OD1-N 2.98Å; N328-A331 HydrophobicContact CB-CB 3.98Å; N328-A331 WeakPolarHBondContact O-CA 3.24Å; N328-A331 VanDerWaalsContact O-CB 3.26Å; N328-A331 WeakPolarHBondContact O-CB 3.28Å; N328-A331 PolarHBondContact O-N 3.21Å; N328-A331 PolarHBondContact OD1-N 3.34Å; N328-D346 VanDerWaalsContact CA-OD1 3.27Å; N328-D346 WeakPolarHBondContact CA-OD1 3.25Å; N328-D346 WeakPolarHBondContact CA-OD2 3.06Å; N328-D346 WeakPolarHBondContact CB-OD2 3.35Å; N328-D346 VanDerWaalsContact CG-CG 3.42Å; N328-D346 VanDerWaalsContact OD1-CG 3.26Å; N328-D346 PolarHBondContact OD1-OD1 3.22Å
329	E	61.3	Low	60.1	Low	22 Å²	22	55.9 Å²	55.9	10%	0.103	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-14.2	-175.1	-57.5	108.2	176.8	0	0	111.4	T327 A331 L335 N336 D346 G350 Y351	T327-E329 PolarHBondContact O-N 3Å; E329-A331 VanDerWaalsContact C-N 3.33Å; E329-L335 HydrophobicContact CB-CB 3.78Å; E329-L335 HydrophobicContact CG-CB 3.97Å; E329-L335 HydrophobicContact CG-CD1 4.48Å; E329-N336 WeakPolarHBondContact O-CB 3.22Å; E329-N336 PolarHBondContact O-N 3.28Å; E329-N336 PolarHBondContact O-ND2 3.3Å; E329-D346 PolarHBondContact N-OD1 2.72Å; E329-D346 VanDerWaalsContact N-OD1 3.13Å; E329-G350 WeakPolarHBondContact OE2-CA 3.04Å; E329-Y351 HydrophobicContact CB-CD1 3.6Å; E329-Y351 HydrophobicContact CB-CE1 4.33Å; E329-Y351 HydrophobicContact CB-CG 4.24Å; E329-Y351 HydrophobicContact CG-CD1 4.13Å; E329-Y351 WeakPolarHBondContact OE2-CD1 3.29Å; E329-Y351 PolarHBondContact OE2-N 3.27Å
330	C	66.6	Low	60.7	Low	36 Å²	36	59.2 Å²	59.2	24%	0.243	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.6	-11.9	168.7	-51.6	0	0	0	0	113.5	N328 C344 D346 Y351	N328-C330 PolarHBondContact O-N 3.2Å; N328-C330 WeakPolarHBondContact OD1-CA 3.24Å; N328-C330 WeakPolarHBondContact OD1-CB 3.49Å; N328-C330 PolarHBondContact OD1-N 2.98Å; C330-C344 WeakPolarHBondContact CA-SG 3.24Å; C330-C344 HydrophobicContact CB-CB 3.53Å; C330-C344 WeakPolarHBondContact CB-SG 3.46Å; C330-C344 VanDerWaalsContact SG-CA 3.56Å; C330-C344 WeakPolarHBondContact SG-CB 3.43Å; C330-C344 PolarHBondContact SG-O 3.32Å; C330-C344 CovalentContact SG-SG 2.03Å; C330-C344 PolarHBondContact SG-SG 3.37Å; C330-D346 HydrophobicContact CB-CB 4.48Å; C330-D346 PolarHBondContact SG-N 2.55Å; C330-Y351 VanDerWaalsContact SG-CB 3.55Å
331	A	56.6	Low	60.8	Low	71 Å²	71	61.2 Å²	61.2	59%	0.587	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.9	-29.5	170.1	0	0	0	0	0	112.3	N328 E329	N328-A331 HydrophobicContact CB-CB 3.98Å; N328-A331 WeakPolarHBondContact O-CA 3.24Å; N328-A331 VanDerWaalsContact O-CB 3.26Å; N328-A331 WeakPolarHBondContact O-CB 3.28Å; N328-A331 PolarHBondContact O-N 3.21Å; N328-A331 PolarHBondContact OD1-N 3.34Å; E329-A331 VanDerWaalsContact C-N 3.33Å
332	V	50.7	Low	61	Low	40 Å²	40	60 Å²	60	24%	0.242	33%	0.331	C	S	.	.	S	Bend	trans	-112.4	105.5	178.1	-175.6	0	0	0	0	109.6	N334 L335	V332-N334 HydrophobicContact CG1-CB 4.45Å; V332-N334 PolarHBondContact O-N 2.74Å; V332-L335 HydrophobicContact CB-CB 4.39Å; V332-L335 HydrophobicContact CB-CD1 3.95Å; V332-L335 HydrophobicContact CB-CG 3.99Å; V332-L335 HydrophobicContact CG1-CD1 4.26Å; V332-L335 HydrophobicContact CG1-CG 3.96Å; V332-L335 HydrophobicContact CG2-CD1 4.3Å; V332-L335 PolarHBondContact O-N 2.9Å
333	K	56	Low	61.3	Low	132 Å²	132	60.9 Å²	60.9	57%	0.574	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-15.6	-172.2	-166.4	169.1	-177.5	179.6	0	114.7	D340	K333-D340 IonicContact NZ-OD1 2.95Å; K333-D340 PolarHBondContact NZ-OD1 2.97Å
334	N	52.9	Low	61.9	Low	116 Å²	116	62.1 Å²	62.1	62%	0.62	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.9	-17.3	175.7	-60.4	-24.8	0	0	0	113.8	V332 D873	V332-N334 HydrophobicContact CG1-CB 4.45Å; V332-N334 PolarHBondContact O-N 2.74Å; N334-D873 PolarHBondContact ND2-O 2.73Å
335	L	53	Low	62.4	Low	92 Å²	92	60.6 Å²	60.6	48%	0.482	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.8	-27.6	177.2	-62.3	-177.7	0	0	0	112.2	E329 V332 Y351	E329-L335 HydrophobicContact CB-CB 3.78Å; E329-L335 HydrophobicContact CG-CB 3.97Å; E329-L335 HydrophobicContact CG-CD1 4.48Å; V332-L335 HydrophobicContact CB-CB 4.39Å; V332-L335 HydrophobicContact CB-CD1 3.95Å; V332-L335 HydrophobicContact CB-CG 3.99Å; V332-L335 HydrophobicContact CG1-CD1 4.26Å; V332-L335 HydrophobicContact CG1-CG 3.96Å; V332-L335 HydrophobicContact CG2-CD1 4.3Å; V332-L335 PolarHBondContact O-N 2.9Å; L335-Y351 WeakPolarHBondContact O-CE1 3.12Å
336	N	65.3	Low	62.8	Low	15 Å²	15	61.5 Å²	61.5	8%	0.08	35%	0.349	C	S	.	.			trans	-97.7	154.6	169.2	80.2	86.6	0	0	0	113.1	E329 C338 C344 Y351	E329-N336 WeakPolarHBondContact O-CB 3.22Å; E329-N336 PolarHBondContact O-N 3.28Å; E329-N336 PolarHBondContact O-ND2 3.3Å; N336-C338 PolarHBondContact OD1-N 3.36Å; N336-C344 WeakPolarHBondContact CB-SG 3.32Å; N336-Y351 VanDerWaalsContact CA-CZ 3.48Å; N336-Y351 HydrophobicContact CB-CD1 3.99Å; N336-Y351 HydrophobicContact CB-CD2 3.6Å; N336-Y351 HydrophobicContact CB-CE1 3.98Å; N336-Y351 HydrophobicContact CB-CE2 3.58Å; N336-Y351 HydrophobicContact CB-CG 3.81Å
337	T	69.4	Low	62.9	Low	99 Å²	99	61.2 Å²	61.2	61%	0.607	34%	0.344	S	S	*	.			trans	-128.7	47.8	175.7	38.2	0	0	0	0	111.1	Y351 R372	T337-Y351 PolarHBondContact N-OH 2.74Å; T337-Y351 PolarHBondContact OG1-OH 3.15Å; T337-R372 WeakPolarHBondContact O-CD 3.45Å; T337-R372 PolarHBondContact O-NH1 2.03Å; T337-R372 PolarHBondContact OG1-NH1 3.05Å
338	C	72.9	Confident	62.9	Low	22 Å²	22	60.2 Å²	60.2	15%	0.149	34%	0.339	C	S	.	.			trans	-80.6	157.6	176.8	-64.5	0	0	0	0	112.7	N336 A342 C344 C353	N336-C338 PolarHBondContact OD1-N 3.36Å; C338-A342 HydrophobicContact CB-CB 4.23Å; C338-C344 HydrophobicContact CB-CB 4.31Å; C338-C353 WeakPolarHBondContact CA-SG 3.19Å; C338-C353 HydrophobicContact CB-CB 3.74Å; C338-C353 WeakPolarHBondContact CB-SG 3.06Å; C338-C353 VanDerWaalsContact SG-CA 3.54Å; C338-C353 WeakPolarHBondContact SG-CB 3.41Å; C338-C353 CovalentContact SG-SG 2.04Å; C338-C353 PolarHBondContact SG-SG 3.36Å
339	D	69.2	Low	62.3	Low	33 Å²	33	59.3 Å²	59.3	18%	0.176	33%	0.333	C	S	.	.			trans	-65	145.1	169.3	-170.5	-67.6	0	0	0	110	N341 A342 G371 V373 C374	D339-N341 PolarHBondContact O-N 2.83Å; D339-N341 WeakPolarHBondContact OD1-CA 3.27Å; D339-N341 WeakPolarHBondContact OD1-CB 3.39Å; D339-N341 PolarHBondContact OD1-N 3.31Å; D339-N341 PolarHBondContact OD1-ND2 3.19Å; D339-A342 HydrophobicContact CB-CB 4.19Å; D339-A342 WeakPolarHBondContact O-CB 3.44Å; D339-A342 PolarHBondContact O-N 2.03Å; D339-G371 WeakPolarHBondContact CB-O 3.35Å; D339-G371 PolarHBondContact N-O 3.38Å; D339-V373 WeakPolarHBondContact OD2-CA 3.33Å; D339-C374 HydrophobicContact CB-CB 4Å; D339-C374 VanDerWaalsContact CG-N 3.35Å; D339-C374 PolarHBondContact OD2-N 3.4Å
340	D	67.6	Low	62	Low	132 Å²	132	58.6 Å²	58.6	71%	0.706	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-10.2	174.5	-66.8	-56.6	0	0	0	113.8	K333	K333-D340 IonicContact NZ-OD1 2.95Å; K333-D340 PolarHBondContact NZ-OD1 2.97Å
341	N	67.9	Low	62	Low	43 Å²	43	59 Å²	59	23%	0.23	33%	0.328	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.9	18.7	175.1	-43.4	-104.3	0	0	0	111.7	D339 V356 Y359 C374	D339-N341 PolarHBondContact O-N 2.83Å; D339-N341 WeakPolarHBondContact OD1-CA 3.27Å; D339-N341 WeakPolarHBondContact OD1-CB 3.39Å; D339-N341 PolarHBondContact OD1-N 3.31Å; D339-N341 PolarHBondContact OD1-ND2 3.19Å; N341-V356 WeakPolarHBondContact O-CG2 3.48Å; N341-V356 PolarHBondContact O-N 2.67Å; N341-Y359 HydrophobicContact CB-CD1 3.54Å; N341-Y359 HydrophobicContact CB-CD2 4.3Å; N341-Y359 HydrophobicContact CB-CE1 3.38Å; N341-Y359 HydrophobicContact CB-CE2 4.16Å; N341-Y359 HydrophobicContact CB-CG 4.03Å; N341-Y359 VanDerWaalsContact CG-CE1 3.45Å; N341-Y359 WeakPolarHBondContact OD1-CE1 3.35Å; N341-Y359 PolarHBondContact OD1-OH 3.23Å; N341-C374 HydrophobicContact CB-CB 4.01Å; N341-C374 WeakPolarHBondContact O-CB 3.18Å
342	A	71.9	Confident	62.6	Low	13 Å²	13	58 Å²	58	11%	0.107	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	136.7	162.4	0	0	0	0	0	110.3	C338 D339 C344 C353 Q354 G371	C338-A342 HydrophobicContact CB-CB 4.23Å; D339-A342 HydrophobicContact CB-CB 4.19Å; D339-A342 WeakPolarHBondContact O-CB 3.44Å; D339-A342 PolarHBondContact O-N 2.03Å; A342-C344 PolarHBondContact O-N 2.04Å; A342-C353 HydrophobicContact CB-CB 4.1Å; A342-Q354 CarbonylContact C-O 3.19Å; A342-Q354 VanDerWaalsContact CA-O 3.29Å; A342-Q354 WeakPolarHBondContact CA-O 3.25Å; A342-G371 WeakPolarHBondContact CB-O 3.46Å
343	D	72.9	Confident	63.8	Low	78 Å²	78	56.3 Å²	56.3	42%	0.417	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	119.8	157.3	-64.4	-52.1	0	0	0	106.7	I345 Q354	D343-I345 HydrophobicContact CB-CG1 4.26Å; D343-I345 PolarHBondContact O-N 2.74Å; D343-Q354 PolarHBondContact N-O 3.1Å; D343-Q354 PolarHBondContact O-N 3.21Å
344	C	75.2	Confident	64.6	Low	31 Å²	31	55.3 Å²	55.3	21%	0.209	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	114.4	161.8	-175.2	0	0	0	0	106.6	C330 N336 C338 A342	C330-C344 WeakPolarHBondContact CA-SG 3.24Å; C330-C344 HydrophobicContact CB-CB 3.53Å; C330-C344 WeakPolarHBondContact CB-SG 3.46Å; C330-C344 VanDerWaalsContact SG-CA 3.56Å; C330-C344 WeakPolarHBondContact SG-CB 3.43Å; C330-C344 PolarHBondContact SG-O 3.32Å; C330-C344 CovalentContact SG-SG 2.03Å; C330-C344 PolarHBondContact SG-SG 3.37Å; N336-C344 WeakPolarHBondContact CB-SG 3.32Å; C338-C344 HydrophobicContact CB-CB 4.31Å; A342-C344 PolarHBondContact O-N 2.04Å
345	I	71	Confident	65.3	Low	57 Å²	57	50.5 Å²	50.5	29%	0.292	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	103.5	177.5	-60	-177.5	0	0	0	107	D343 L347 Y351 T352 Q354	D343-I345 HydrophobicContact CB-CG1 4.26Å; D343-I345 PolarHBondContact O-N 2.74Å; I345-L347 HydrophobicContact CG2-CD2 3.85Å; I345-L347 PolarHBondContact O-N 3.3Å; I345-Y351 WeakPolarHBondContact O-CA 3.16Å; I345-T352 HydrophobicContact CB-CG2 4.07Å; I345-T352 PolarHBondContact N-O 3.49Å; I345-T352 PolarHBondContact O-N 2.88Å; I345-Q354 HydrophobicContact CD1-CB 3.6Å; I345-Q354 HydrophobicContact CD1-CG 4.34Å; I345-Q354 HydrophobicContact CG1-CB 4.28Å
346	D	62.5	Low	65.9	Low	59 Å²	59	48.4 Å²	48.4	32%	0.316	27%	0.268	S	S	.	.			trans	-57.1	117.9	171	-155.7	49.6	0	0	0	108.6	N328 E329 C330	N328-D346 VanDerWaalsContact CA-OD1 3.27Å; N328-D346 WeakPolarHBondContact CA-OD1 3.25Å; N328-D346 WeakPolarHBondContact CA-OD2 3.06Å; N328-D346 WeakPolarHBondContact CB-OD2 3.35Å; N328-D346 VanDerWaalsContact CG-CG 3.42Å; N328-D346 VanDerWaalsContact OD1-CG 3.26Å; N328-D346 PolarHBondContact OD1-OD1 3.22Å; E329-D346 PolarHBondContact N-OD1 2.72Å; E329-D346 VanDerWaalsContact N-OD1 3.13Å; C330-D346 HydrophobicContact CB-CB 4.48Å; C330-D346 PolarHBondContact SG-N 2.55Å
347	L	53.8	Low	65.4	Low	64 Å²	64	53.1 Å²	53.1	34%	0.335	30%	0.3	S	S	.	.			trans	-109.6	158.7	172.8	-50	175.7	0	0	0	108.6	I345 E349 G350 T352	I345-L347 HydrophobicContact CG2-CD2 3.85Å; I345-L347 PolarHBondContact O-N 3.3Å; L347-E349 PolarHBondContact O-N 3.16Å; L347-G350 VanDerWaalsContact CB-O 3.26Å; L347-G350 WeakPolarHBondContact CB-O 3.45Å; L347-G350 PolarHBondContact O-N 3.08Å; L347-G350 VanDerWaalsContact O-N 3.13Å; L347-T352 HydrophobicContact CD1-CG2 3.73Å; L347-T352 HydrophobicContact CD2-CG2 4.19Å; L347-T352 HydrophobicContact CG-CG2 3.97Å
348	P	46.6	Very low	64.3	Low	50 Å²	50	50.1 Å²	50.1	33%	0.325	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.7	-15	169.8	-34	39.6	0	0	0	117.1	L309 V311 Y324	L309-P348 HydrophobicContact CD2-CB 3.68Å; L309-P348 HydrophobicContact CD2-CG 4Å; V311-P348 HydrophobicContact CG1-CB 3.49Å; V311-P348 VanDerWaalsContact CG1-CB 3.49Å; V311-P348 WeakPolarHBondContact CG1-O 3.05Å; Y324-P348 WeakPolarHBondContact CB-O 3.06Å
349	E	45.4	Very low	63.5	Low	41 Å²	41	51 Å²	51	19%	0.192	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-120.2	32.4	-174.7	-80.2	153	-140	0	0	111.3	V311 R314 F315 Y324 L347	V311-E349 HydrophobicContact CB-CG 3.73Å; V311-E349 HydrophobicContact CG1-CG 3.96Å; V311-E349 HydrophobicContact CG2-CG 3.7Å; R314-E349 VanDerWaalsContact CB-OE1 3.29Å; R314-E349 WeakPolarHBondContact CB-OE1 3.3Å; R314-E349 WeakPolarHBondContact CD-OE1 3.07Å; R314-E349 WeakPolarHBondContact CD-OE2 3.04Å; R314-E349 IonicContact CZ-OE1 3.53Å; R314-E349 IonicContact CZ-OE2 2.69Å; R314-E349 IonicContact NE-OE1 3.36Å; R314-E349 PolarHBondContact NE-OE1 3.15Å; R314-E349 IonicContact NE-OE2 2.72Å; R314-E349 IonicContact NH1-OE1 3.92Å; R314-E349 PolarHBondContact NH1-OE1 2.75Å; R314-E349 VanDerWaalsContact NH1-OE1 3.1Å; R314-E349 IonicContact NH1-OE2 2.68Å; R314-E349 PolarHBondContact NH1-OE2 3.01Å; R314-E349 IonicContact NH2-OE1 3.13Å; R314-E349 PolarHBondContact NH2-OE1 3.28Å; F315-E349 HydrophobicContact CE2-CG 3.93Å; F315-E349 HydrophobicContact CZ-CG 4.22Å; Y324-E349 HydrophobicContact CD2-CB 4.38Å; Y324-E349 WeakPolarHBondContact CE2-O 3.06Å; Y324-E349 VanDerWaalsContact CZ-C 3.46Å; Y324-E349 VanDerWaalsContact CZ-O 3.26Å; Y324-E349 PolarHBondContact OH-O 2.89Å; L347-E349 PolarHBondContact O-N 3.16Å
350	G	54.7	Low	63.2	Low	6 Å²	6	52.1 Å²	52.1	6%	0.062	30%	0.296	C	S	.	.	S	Bend	trans	82.4	162.3	-169	0	0	0	0	0	112.3	Y324 E329 L347	Y324-G350 VanDerWaalsContact CE1-N 3.25Å; E329-G350 WeakPolarHBondContact OE2-CA 3.04Å; L347-G350 VanDerWaalsContact CB-O 3.26Å; L347-G350 WeakPolarHBondContact CB-O 3.45Å; L347-G350 PolarHBondContact O-N 3.08Å; L347-G350 VanDerWaalsContact O-N 3.13Å
351	Y	66.8	Low	63.1	Low	46 Å²	46	48.5 Å²	48.5	18%	0.18	28%	0.277	C	S	.	.			trans	-62.8	151.1	-174.8	73.9	-77	0	0	0	115.2	E329 C330 L335 N336 T337 I345 R372	E329-Y351 HydrophobicContact CB-CD1 3.6Å; E329-Y351 HydrophobicContact CB-CE1 4.33Å; E329-Y351 HydrophobicContact CB-CG 4.24Å; E329-Y351 HydrophobicContact CG-CD1 4.13Å; E329-Y351 WeakPolarHBondContact OE2-CD1 3.29Å; E329-Y351 PolarHBondContact OE2-N 3.27Å; C330-Y351 VanDerWaalsContact SG-CB 3.55Å; L335-Y351 WeakPolarHBondContact O-CE1 3.12Å; N336-Y351 VanDerWaalsContact CA-CZ 3.48Å; N336-Y351 HydrophobicContact CB-CD1 3.99Å; N336-Y351 HydrophobicContact CB-CD2 3.6Å; N336-Y351 HydrophobicContact CB-CE1 3.98Å; N336-Y351 HydrophobicContact CB-CE2 3.58Å; N336-Y351 HydrophobicContact CB-CG 3.81Å; T337-Y351 PolarHBondContact N-OH 2.74Å; T337-Y351 PolarHBondContact OG1-OH 3.15Å; I345-Y351 WeakPolarHBondContact O-CA 3.16Å; Y351-R372 VanDerWaalsContact CE2-NH1 3.35Å; Y351-R372 VanDerWaalsContact CE2-NH2 3.34Å; Y351-R372 PolarHBondContact OH-NH1 3.09Å; Y351-R372 PolarHBondContact OH-NH2 2.81Å
352	T	68.4	Low	63.1	Low	48 Å²	48	48.3 Å²	48.3	29%	0.294	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	159.3	161.6	-157.9	0	0	0	0	110.7	I345 L347	I345-T352 HydrophobicContact CB-CG2 4.07Å; I345-T352 PolarHBondContact N-O 3.49Å; I345-T352 PolarHBondContact O-N 2.88Å; L347-T352 HydrophobicContact CD1-CG2 3.73Å; L347-T352 HydrophobicContact CD2-CG2 4.19Å; L347-T352 HydrophobicContact CG-CG2 3.97Å
353	C	77	Confident	62.8	Low	6 Å²	6	47.7 Å²	47.7	4%	0.041	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	121.4	178.8	-51.1	0	0	0	0	109	C338 A342 G371	C338-C353 WeakPolarHBondContact CA-SG 3.19Å; C338-C353 HydrophobicContact CB-CB 3.74Å; C338-C353 WeakPolarHBondContact CB-SG 3.06Å; C338-C353 VanDerWaalsContact SG-CA 3.54Å; C338-C353 WeakPolarHBondContact SG-CB 3.41Å; C338-C353 CovalentContact SG-SG 2.04Å; C338-C353 PolarHBondContact SG-SG 3.36Å; A342-C353 HydrophobicContact CB-CB 4.1Å; C353-G371 VanDerWaalsContact CB-O 3.3Å; C353-G371 WeakPolarHBondContact CB-O 3.29Å; C353-G371 WeakPolarHBondContact O-CA 3.25Å
354	Q	71.7	Confident	61.9	Low	110 Å²	110	48.3 Å²	48.3	51%	0.514	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	119	174.9	-177.6	174.5	-33.5	0	0	109.9	A342 D343 I345 V356	A342-Q354 CarbonylContact C-O 3.19Å; A342-Q354 VanDerWaalsContact CA-O 3.29Å; A342-Q354 WeakPolarHBondContact CA-O 3.25Å; D343-Q354 PolarHBondContact N-O 3.1Å; D343-Q354 PolarHBondContact O-N 3.21Å; I345-Q354 HydrophobicContact CD1-CB 3.6Å; I345-Q354 HydrophobicContact CD1-CG 4.34Å; I345-Q354 HydrophobicContact CG1-CB 4.28Å; Q354-V356 PolarHBondContact O-N 3.31Å
355	C	69	Low	60.7	Low	15 Å²	15	52 Å²	52	10%	0.101	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-53.8	126.1	176.4	-61.3	0	0	0	0	111.8	D361 C374	C355-D361 WeakPolarHBondContact SG-CA 3.32Å; C355-D361 PolarHBondContact SG-N 2.84Å; C355-D361 VanDerWaalsContact SG-N 3.41Å; C355-C374 WeakPolarHBondContact CA-SG 3.2Å; C355-C374 HydrophobicContact CB-CB 3.8Å; C355-C374 WeakPolarHBondContact CB-SG 3.44Å; C355-C374 VanDerWaalsContact SG-CA 3.55Å; C355-C374 WeakPolarHBondContact SG-CB 3.36Å; C355-C374 CovalentContact SG-SG 2.04Å; C355-C374 PolarHBondContact SG-SG 2.72Å
356	V	64.3	Low	59.5	Low	48 Å²	48	51.9 Å²	51.9	29%	0.291	32%	0.317	S	S	.	.	P	Polyproline II helix	trans	-55.4	138.6	-176.3	-178.7	0	0	0	0	109.3	N341 Q354 G358 Y359	N341-V356 WeakPolarHBondContact O-CG2 3.48Å; N341-V356 PolarHBondContact O-N 2.67Å; Q354-V356 PolarHBondContact O-N 3.31Å; V356-G358 PolarHBondContact O-N 2.98Å; V356-Y359 HydrophobicContact CB-CD2 4.24Å; V356-Y359 WeakPolarHBondContact O-CB 3.27Å; V356-Y359 WeakPolarHBondContact O-CD2 3.27Å; V356-Y359 PolarHBondContact O-N 2.74Å
357	P	54.7	Low	58.7	Low	115 Å²	115	58.7 Å²	58.7	75%	0.747	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.5	116.9	-176.4	-31.7	37	0	0	0	113.8
358	G	45.8	Very low	58.8	Low	35 Å²	35	60 Å²	60	36%	0.361	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	108.6	0.6	-167.8	0	0	0	0	0	114.4	V356 Q377	V356-G358 PolarHBondContact O-N 2.98Å; G358-Q377 VanDerWaalsContact O-CB 3.32Å; G358-Q377 WeakPolarHBondContact O-CB 3.01Å; G358-Q377 PolarHBondContact O-N 3.33Å
359	Y	56.7	Low	59.5	Low	41 Å²	41	60.1 Å²	60.1	16%	0.161	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	143.7	168.7	-69.7	-103.3	0	0	0	111.2	N341 V356 C374 T375 I376 K564	N341-Y359 HydrophobicContact CB-CD1 3.54Å; N341-Y359 HydrophobicContact CB-CD2 4.3Å; N341-Y359 HydrophobicContact CB-CE1 3.38Å; N341-Y359 HydrophobicContact CB-CE2 4.16Å; N341-Y359 HydrophobicContact CB-CG 4.03Å; N341-Y359 VanDerWaalsContact CG-CE1 3.45Å; N341-Y359 WeakPolarHBondContact OD1-CE1 3.35Å; N341-Y359 PolarHBondContact OD1-OH 3.23Å; V356-Y359 HydrophobicContact CB-CD2 4.24Å; V356-Y359 WeakPolarHBondContact O-CB 3.27Å; V356-Y359 WeakPolarHBondContact O-CD2 3.27Å; V356-Y359 PolarHBondContact O-N 2.74Å; Y359-C374 HydrophobicContact CD1-CB 4.42Å; Y359-C374 WeakPolarHBondContact CD1-O 3.28Å; Y359-T375 CarbonylContact C-O 3.55Å; Y359-T375 WeakPolarHBondContact CA-O 3.37Å; Y359-T375 WeakPolarHBondContact CB-O 3.36Å; Y359-T375 VanDerWaalsContact CD1-C 3.45Å; Y359-T375 WeakPolarHBondContact CD1-O 3.22Å; Y359-I376 HydrophobicContact CD1-CB 4.36Å; Y359-I376 HydrophobicContact CD1-CG1 3.66Å; Y359-I376 HydrophobicContact CE1-CB 4.32Å; Y359-I376 HydrophobicContact CE1-CD1 4.1Å; Y359-I376 HydrophobicContact CE1-CG1 3.19Å; Y359-I376 HydrophobicContact CE2-CG1 4.18Å; Y359-I376 HydrophobicContact CG-CG1 4.3Å; Y359-I376 VanDerWaalsContact CZ-CG1 3.49Å; Y359-K564 PolarHBondContact OH-NZ 2.8Å
360	V	62.9	Low	60.2	Low	56 Å²	56	61.9 Å²	61.9	34%	0.339	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	130.2	170.5	167.8	0	0	0	0	109.1	V362 T375 Q377	V360-V362 HydrophobicContact CG1-CG1 4.14Å; V360-V362 PolarHBondContact O-N 2.89Å; V360-T375 PolarHBondContact N-O 3.19Å; V360-T375 PolarHBondContact O-N 3.12Å; V360-T375 PolarHBondContact O-OG1 2.56Å; V360-Q377 HydrophobicContact CG2-CB 3.71Å; V360-Q377 HydrophobicContact CG2-CG 3.54Å
361	D	66.9	Low	60.6	Low	56 Å²	56	61.6 Å²	61.6	30%	0.299	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	117.9	167.7	-173.5	-4.3	0	0	0	111.1	C355 S363 P370 G371	C355-D361 WeakPolarHBondContact SG-CA 3.32Å; C355-D361 PolarHBondContact SG-N 2.84Å; C355-D361 VanDerWaalsContact SG-N 3.41Å; D361-S363 WeakPolarHBondContact OD1-CB 3.43Å; D361-S363 PolarHBondContact OD1-N 3.2Å; D361-S363 PolarHBondContact OD1-OG 2.81Å; D361-P370 WeakPolarHBondContact OD2-CA 3.47Å; D361-P370 WeakPolarHBondContact OD2-CB 3.07Å; D361-G371 VanDerWaalsContact CG-N 3.32Å; D361-G371 PolarHBondContact OD1-N 2.77Å; D361-G371 PolarHBondContact OD2-N 3.41Å
362	V	67.2	Low	61	Low	39 Å²	39	62.1 Å²	62.1	24%	0.236	37%	0.369	C	S	.	.			trans	-118.6	15.2	171.5	-59.9	0	0	0	0	112	V360 S364 S365 A366 V373 T375	V360-V362 HydrophobicContact CG1-CG1 4.14Å; V360-V362 PolarHBondContact O-N 2.89Å; V362-S364 PolarHBondContact O-N 3.14Å; V362-S365 WeakPolarHBondContact O-CA 3.06Å; V362-S365 VanDerWaalsContact O-CB 3.25Å; V362-S365 WeakPolarHBondContact O-CB 3.3Å; V362-S365 PolarHBondContact O-N 2.83Å; V362-A366 PolarHBondContact O-N 3.08Å; V362-V373 HydrophobicContact CG2-CB 4.11Å; V362-V373 HydrophobicContact CG2-CG1 3.66Å; V362-V373 PolarHBondContact N-O 2.73Å; V362-T375 WeakPolarHBondContact CG1-OG1 3.41Å; V362-T375 HydrophobicContact CG2-CG2 3.54Å
363	S	64.3	Low	60.7	Low	0 Å²	0	61.9 Å²	61.9	0%	0	37%	0.367	C	S	.	.	G	3₁₀ helix	trans	-56.3	-37.8	179	-41.9	0	0	0	0	111.4	D361 S365 A366 K367 L368 A369 G371 R372 V373	D361-S363 WeakPolarHBondContact OD1-CB 3.43Å; D361-S363 PolarHBondContact OD1-N 3.2Å; D361-S363 PolarHBondContact OD1-OG 2.81Å; S363-S365 PolarHBondContact O-N 2.75Å; S363-A366 CarbonylContact O-C 3.45Å; S363-A366 VanDerWaalsContact O-C 3.31Å; S363-A366 WeakPolarHBondContact O-CA 3.45Å; S363-A366 PolarHBondContact O-N 2.87Å; S363-K367 PolarHBondContact O-N 2.03Å; S363-L368 CarbonylContact C-O 3.57Å; S363-L368 WeakPolarHBondContact CB-O 3.42Å; S363-L368 PolarHBondContact O-N 3.42Å; S363-A369 WeakPolarHBondContact CB-O 3.09Å; S363-A369 PolarHBondContact OG-O 2.79Å; S363-G371 PolarHBondContact OG-N 2.04Å; S363-R372 PolarHBondContact OG-N 2.94Å; S363-V373 PolarHBondContact OG-N 2.03Å
364	S	54	Low	60	Low	92 Å²	92	61.9 Å²	61.9	64%	0.643	37%	0.367	S	S	*	.	G	3₁₀ helix	trans	-56.8	-30.6	171.8	57.8	0	0	0	0	114.1	V362 A366 K367	V362-S364 PolarHBondContact O-N 3.14Å; S364-A366 VanDerWaalsContact C-N 3.28Å; S364-K367 PolarHBondContact O-N 3.47Å
365	S	51	Low	59	Low	107 Å²	107	58.9 Å²	58.9	75%	0.748	36%	0.357	S	S	*	.	G	3₁₀ helix	trans	-77.1	-15.2	174.3	-56.7	0	0	0	0	112.9	V362 S363	V362-S365 WeakPolarHBondContact O-CA 3.06Å; V362-S365 VanDerWaalsContact O-CB 3.25Å; V362-S365 WeakPolarHBondContact O-CB 3.3Å; V362-S365 PolarHBondContact O-N 2.83Å; S363-S365 PolarHBondContact O-N 2.75Å
366	A	45	Very low	58	Low	56 Å²	56	60.5 Å²	60.5	46%	0.463	36%	0.364	S	S	.	.	G	3₁₀ helix	trans	-105.8	6.7	172.3	0	0	0	0	0	113.1	V362 S363 S364 L368 V373	V362-A366 PolarHBondContact O-N 3.08Å; S363-A366 CarbonylContact O-C 3.45Å; S363-A366 VanDerWaalsContact O-C 3.31Å; S363-A366 WeakPolarHBondContact O-CA 3.45Å; S363-A366 PolarHBondContact O-N 2.87Å; S364-A366 VanDerWaalsContact C-N 3.28Å; A366-L368 HydrophobicContact CB-CD1 4.15Å; A366-L368 HydrophobicContact CB-CG 4.42Å; A366-L368 PolarHBondContact O-N 3.35Å; A366-V373 HydrophobicContact CB-CG2 4.26Å
367	K	45.8	Very low	57.2	Low	201 Å²	201	62.4 Å²	62.4	87%	0.874	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	59	20.2	-170.6	-57.5	-177.2	178	178.8	0	115.8	S363 S364	S363-K367 PolarHBondContact O-N 2.03Å; S364-K367 PolarHBondContact O-N 3.47Å
368	L	55.9	Low	56.5	Low	91 Å²	91	58.6 Å²	58.6	48%	0.476	34%	0.344	S	S	.	.	P	Polyproline II helix	trans	-90.6	156.9	175.1	-68.7	165.4	0	0	0	111.2	S363 A366 R372 V373	S363-L368 CarbonylContact C-O 3.57Å; S363-L368 WeakPolarHBondContact CB-O 3.42Å; S363-L368 PolarHBondContact O-N 3.42Å; A366-L368 HydrophobicContact CB-CD1 4.15Å; A366-L368 HydrophobicContact CB-CG 4.42Å; A366-L368 PolarHBondContact O-N 3.35Å; L368-R372 HydrophobicContact CB-CB 3.82Å; L368-R372 HydrophobicContact CB-CG 4.21Å; L368-R372 HydrophobicContact CD1-CB 4.18Å; L368-R372 HydrophobicContact CG-CB 4.5Å; L368-V373 HydrophobicContact CD1-CG2 3.7Å
369	A	61.7	Low	56.6	Low	54 Å²	54	65.5 Å²	65.5	45%	0.446	36%	0.361	S	S	.	.	P	Polyproline II helix	trans	-54.9	159.4	169.7	0	0	0	0	0	111.4	S363 R372	S363-A369 WeakPolarHBondContact CB-O 3.09Å; S363-A369 PolarHBondContact OG-O 2.79Å; A369-R372 HydrophobicContact CB-CG 4.1Å; A369-R372 WeakPolarHBondContact O-CB 3.47Å; A369-R372 WeakPolarHBondContact O-CG 3.44Å
370	P	60.2	Low	56.2	Low	77 Å²	77	63.7 Å²	63.7	50%	0.5	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.2	147.9	-179.4	21.5	-33.1	0	0	0	113.8	D361 R372	D361-P370 WeakPolarHBondContact OD2-CA 3.47Å; D361-P370 WeakPolarHBondContact OD2-CB 3.07Å; P370-R372 VanDerWaalsContact C-N 3.28Å; P370-R372 PolarHBondContact O-N 3.48Å
371	G	64.1	Low	55.7	Low	0 Å²	0	62.8 Å²	62.8	0%	0	35%	0.35	C	S	.	.	T	Hydrogen-bonded Turn	trans	67.3	11.4	179	0	0	0	0	0	117.4	D339 A342 C353 D361 S363	D339-G371 WeakPolarHBondContact CB-O 3.35Å; D339-G371 PolarHBondContact N-O 3.38Å; A342-G371 WeakPolarHBondContact CB-O 3.46Å; C353-G371 VanDerWaalsContact CB-O 3.3Å; C353-G371 WeakPolarHBondContact CB-O 3.29Å; C353-G371 WeakPolarHBondContact O-CA 3.25Å; D361-G371 VanDerWaalsContact CG-N 3.32Å; D361-G371 PolarHBondContact OD1-N 2.77Å; D361-G371 PolarHBondContact OD2-N 3.41Å; S363-G371 PolarHBondContact OG-N 2.04Å
372	R	73.4	Confident	55.3	Low	57 Å²	57	63.6 Å²	63.6	22%	0.215	36%	0.359	C	S	.	.	S	Bend	trans	-85.2	-17	175.9	-53.1	-66.4	175.3	162.2	2.3	113.1	T337 Y351 S363 L368 A369 P370	T337-R372 WeakPolarHBondContact O-CD 3.45Å; T337-R372 PolarHBondContact O-NH1 2.03Å; T337-R372 PolarHBondContact OG1-NH1 3.05Å; Y351-R372 VanDerWaalsContact CE2-NH1 3.35Å; Y351-R372 VanDerWaalsContact CE2-NH2 3.34Å; Y351-R372 PolarHBondContact OH-NH1 3.09Å; Y351-R372 PolarHBondContact OH-NH2 2.81Å; S363-R372 PolarHBondContact OG-N 2.94Å; L368-R372 HydrophobicContact CB-CB 3.82Å; L368-R372 HydrophobicContact CB-CG 4.21Å; L368-R372 HydrophobicContact CD1-CB 4.18Å; L368-R372 HydrophobicContact CG-CB 4.5Å; A369-R372 HydrophobicContact CB-CG 4.1Å; A369-R372 WeakPolarHBondContact O-CB 3.47Å; A369-R372 WeakPolarHBondContact O-CG 3.44Å; P370-R372 VanDerWaalsContact C-N 3.28Å; P370-R372 PolarHBondContact O-N 3.48Å
373	V	63.6	Low	55.4	Low	43 Å²	43	64 Å²	64	26%	0.261	36%	0.359	S	S	.	.	S	Bend	trans	-140.2	100.6	172.2	-169.1	0	0	0	0	109.2	D339 V362 S363 A366 L368	D339-V373 WeakPolarHBondContact OD2-CA 3.33Å; V362-V373 HydrophobicContact CG2-CB 4.11Å; V362-V373 HydrophobicContact CG2-CG1 3.66Å; V362-V373 PolarHBondContact N-O 2.73Å; S363-V373 PolarHBondContact OG-N 2.03Å; A366-V373 HydrophobicContact CB-CG2 4.26Å; L368-V373 HydrophobicContact CD1-CG2 3.7Å
374	C	61	Low	56	Low	6 Å²	6	66.6 Å²	66.6	4%	0.041	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	102.8	-176.9	-69.2	0	0	0	0	110.7	D339 N341 C355 Y359	D339-C374 HydrophobicContact CB-CB 4Å; D339-C374 VanDerWaalsContact CG-N 3.35Å; D339-C374 PolarHBondContact OD2-N 3.4Å; N341-C374 HydrophobicContact CB-CB 4.01Å; N341-C374 WeakPolarHBondContact O-CB 3.18Å; C355-C374 WeakPolarHBondContact CA-SG 3.2Å; C355-C374 HydrophobicContact CB-CB 3.8Å; C355-C374 WeakPolarHBondContact CB-SG 3.44Å; C355-C374 VanDerWaalsContact SG-CA 3.55Å; C355-C374 WeakPolarHBondContact SG-CB 3.36Å; C355-C374 CovalentContact SG-SG 2.04Å; C355-C374 PolarHBondContact SG-SG 2.72Å; Y359-C374 HydrophobicContact CD1-CB 4.42Å; Y359-C374 WeakPolarHBondContact CD1-O 3.28Å
375	T	51.1	Low	57.4	Low	48 Å²	48	62.5 Å²	62.5	29%	0.294	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	153	175	58.1	0	0	0	0	110.4	Y359 V360 V362 Q377	Y359-T375 CarbonylContact C-O 3.55Å; Y359-T375 WeakPolarHBondContact CA-O 3.37Å; Y359-T375 WeakPolarHBondContact CB-O 3.36Å; Y359-T375 VanDerWaalsContact CD1-C 3.45Å; Y359-T375 WeakPolarHBondContact CD1-O 3.22Å; V360-T375 PolarHBondContact N-O 3.19Å; V360-T375 PolarHBondContact O-N 3.12Å; V360-T375 PolarHBondContact O-OG1 2.56Å; V362-T375 WeakPolarHBondContact CG1-OG1 3.41Å; V362-T375 HydrophobicContact CG2-CG2 3.54Å; T375-Q377 PolarHBondContact O-N 3.25Å
376	I	49.1	Very low	59.2	Low	48 Å²	48	57.4 Å²	57.4	25%	0.246	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62	137.8	179.6	-71	-172.8	0	0	0	110.4	Y359 T378 K564	Y359-I376 HydrophobicContact CD1-CB 4.36Å; Y359-I376 HydrophobicContact CD1-CG1 3.66Å; Y359-I376 HydrophobicContact CE1-CB 4.32Å; Y359-I376 HydrophobicContact CE1-CD1 4.1Å; Y359-I376 HydrophobicContact CE1-CG1 3.19Å; Y359-I376 HydrophobicContact CE2-CG1 4.18Å; Y359-I376 HydrophobicContact CG-CG1 4.3Å; Y359-I376 VanDerWaalsContact CZ-CG1 3.49Å; I376-T378 HydrophobicContact CB-CG2 3.93Å; I376-T378 HydrophobicContact CG2-CG2 3.56Å; I376-T378 PolarHBondContact O-N 2.86Å; I376-K564 HydrophobicContact CD1-CD 3.54Å; I376-K564 HydrophobicContact CD1-CG 3.72Å; I376-K564 HydrophobicContact CG1-CD 4.12Å
377	Q	46.7	Very low	61.3	Low	88 Å²	88	55 Å²	55	41%	0.411	29%	0.29	S	S	.	.			trans	-67.3	65.9	169.4	-168.6	159.2	53.7	0	0	110.5	G358 V360 T375 Y379	G358-Q377 VanDerWaalsContact O-CB 3.32Å; G358-Q377 WeakPolarHBondContact O-CB 3.01Å; G358-Q377 PolarHBondContact O-N 3.33Å; V360-Q377 HydrophobicContact CG2-CB 3.71Å; V360-Q377 HydrophobicContact CG2-CG 3.54Å; T375-Q377 PolarHBondContact O-N 3.25Å; Q377-Y379 HydrophobicContact CG-CE2 4.36Å; Q377-Y379 PolarHBondContact O-N 3.42Å; Q377-Y379 VanDerWaalsContact O-N 3.09Å
378	T	41	Very low	63.4	Low	35 Å²	35	45.4 Å²	45.4	22%	0.215	25%	0.249	C	C	.	.			trans	-73.6	107	-175.5	56.3	0	0	0	0	109.7	I376 C380 P381 Q563	I376-T378 HydrophobicContact CB-CG2 3.93Å; I376-T378 HydrophobicContact CG2-CG2 3.56Å; I376-T378 PolarHBondContact O-N 2.86Å; T378-C380 PolarHBondContact O-N 3.03Å; T378-P381 WeakPolarHBondContact O-CD 3.26Å; T378-Q563 PolarHBondContact OG1-NE2 2.79Å
379	Y	47.4	Very low	65.2	Low	181 Å²	181	41.1 Å²	41.1	71%	0.71	23%	0.226	S	C	*	.			trans	-64.7	2	163.5	-71.8	-86.8	0	0	0	113	Q377 S382	Q377-Y379 HydrophobicContact CG-CE2 4.36Å; Q377-Y379 PolarHBondContact O-N 3.42Å; Q377-Y379 VanDerWaalsContact O-N 3.09Å; Y379-S382 PolarHBondContact O-N 3.09Å
380	C	48.4	Very low	66.6	Low	2 Å²	2	38.5 Å²	38.5	1%	0.014	21%	0.205	C	C	.	.	G	3₁₀ helix	trans	-59.5	-32.9	-173.9	-152	0	0	0	0	116.6	T378 S382 Q383 C567	T378-C380 PolarHBondContact O-N 3.03Å; C380-S382 PolarHBondContact O-N 3.36Å; C380-Q383 PolarHBondContact O-N 3.41Å; C380-C567 HydrophobicContact CB-CB 3.45Å; C380-C567 VanDerWaalsContact CB-CB 3.45Å; C380-C567 WeakPolarHBondContact CB-SG 3.1Å; C380-C567 WeakPolarHBondContact SG-CB 3.26Å; C380-C567 CovalentContact SG-SG 2.02Å; C380-C567 PolarHBondContact SG-SG 2.87Å
381	P	51.4	Low	68.1	Low	38 Å²	38	34.9 Å²	34.9	25%	0.247	18%	0.181	C	C	.	.	G	3₁₀ helix	trans	-55.3	-23.3	177.9	-27.5	35.4	0	0	0	113.6	T378 N418	T378-P381 WeakPolarHBondContact O-CD 3.26Å; P381-N418 HydrophobicContact CB-CB 4.38Å; P381-N418 WeakPolarHBondContact O-CB 3.37Å; P381-N418 PolarHBondContact O-N 2.65Å
382	S	59.5	Low	69.3	Low	72 Å²	72	35 Å²	35	50%	0.503	18%	0.182	S	C	.	.	G	3₁₀ helix	trans	-99.8	1.6	-179.4	-67.1	0	0	0	0	115.9	Y379 C380 K423	Y379-S382 PolarHBondContact O-N 3.09Å; C380-S382 PolarHBondContact O-N 3.36Å; S382-K423 PolarHBondContact OG-NZ 3.23Å
383	Q	67.9	Low	69.9	Low	49 Å²	49	32.3 Å²	32.3	23%	0.229	17%	0.171	C	C	.	.	S	Bend	trans	-83.4	152.5	-175.4	-61.4	-175.2	27	0	0	112.9	C380 T385 K423	C380-Q383 PolarHBondContact O-N 3.41Å; Q383-T385 PolarHBondContact O-N 3.35Å; Q383-T385 VanDerWaalsContact O-N 3.17Å; Q383-K423 CarbonylContact O-C 3.53Å; Q383-K423 VanDerWaalsContact O-C 3.23Å; Q383-K423 WeakPolarHBondContact O-CA 3.28Å
384	P	76.9	Confident	70.8	Confident	54 Å²	54	30.3 Å²	30.3	35%	0.351	16%	0.159	S	C	.	.			trans	-71.9	99.8	169.9	-18.7	34.1	0	0	0	111.7	K423 V491 H492	P384-K423 WeakPolarHBondContact CA-O 3.23Å; P384-V491 HydrophobicContact CB-CG2 3.8Å; P384-V491 VanDerWaalsContact O-CA 3.26Å; P384-V491 WeakPolarHBondContact O-CA 3.12Å; P384-V491 WeakPolarHBondContact O-CG1 3.1Å; P384-H492 PolarHBondContact O-N 3.41Å
385	T	84.4	Confident	71.6	Confident	6 Å²	6	32.2 Å²	32.2	4%	0.037	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	128.9	-177.1	-53.9	0	0	0	0	111.8	Q383 K423 T424 R425 R485 H492 V494	Q383-T385 PolarHBondContact O-N 3.35Å; Q383-T385 VanDerWaalsContact O-N 3.17Å; T385-K423 PolarHBondContact N-O 2.81Å; T385-T424 CarbonylContact O-C 3.43Å; T385-T424 VanDerWaalsContact O-CA 3.26Å; T385-T424 WeakPolarHBondContact O-CA 3.1Å; T385-R425 PolarHBondContact O-N 3.43Å; T385-R485 PolarHBondContact O-NH2 3.1Å; T385-H492 CarbonylContact C-O 3.29Å; T385-H492 WeakPolarHBondContact CA-O 3.42Å; T385-H492 HydrophobicContact CG2-CB 4.4Å; T385-V494 HydrophobicContact CG2-CG2 3.99Å
386	D	88.3	Confident	72.6	Confident	0 Å²	0	33.9 Å²	33.9	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	102.7	168.1	-74.3	-13.3	0	0	0	108.4	F441 F478 R485 V491 H492 R493 V494	D386-F441 HydrophobicContact CB-CD1 4.34Å; D386-F441 HydrophobicContact CB-CE1 3.71Å; D386-F441 HydrophobicContact CB-CZ 3.91Å; D386-F478 HydrophobicContact CB-CE1 4.46Å; D386-R485 IonicContact OD1-CZ 2.75Å; D386-R485 IonicContact OD1-NE 3.91Å; D386-R485 PolarHBondContact OD1-NE 3Å; D386-R485 IonicContact OD1-NH2 2.64Å; D386-R485 PolarHBondContact OD1-NH2 3.02Å; D386-R485 WeakPolarHBondContact OD2-CB 3.43Å; D386-R485 PolarHBondContact OD2-N 2.98Å; D386-R485 IonicContact OD2-NE 2.77Å; D386-V491 HydrophobicContact CB-CG1 4.3Å; D386-H492 PolarHBondContact N-O 2.98Å; D386-R493 HydrophobicContact CB-CG 4.44Å; D386-R493 WeakPolarHBondContact O-CA 3.43Å; D386-V494 PolarHBondContact O-N 3.12Å
387	L	89.2	Confident	74.1	Confident	4 Å²	4	32 Å²	32	2%	0.021	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	123.4	-179.3	176.5	62.8	0	0	0	110.2	F389 F413 F417 T424 R425 V426 A427 F441 V494 I496	L387-F389 HydrophobicContact CD2-CE2 3.91Å; L387-F389 HydrophobicContact CD2-CZ 4.18Å; L387-F389 HydrophobicContact CG-CE2 4.06Å; L387-F413 HydrophobicContact CD2-CD1 4.25Å; L387-F413 HydrophobicContact CD2-CE1 3.97Å; L387-F417 HydrophobicContact CD2-CD2 4.36Å; L387-F417 HydrophobicContact CD2-CE2 4.39Å; L387-T424 HydrophobicContact CB-CG2 4.36Å; L387-R425 PolarHBondContact N-O 2.85Å; L387-V426 HydrophobicContact CD2-CG2 4.41Å; L387-V426 CarbonylContact O-C 3.38Å; L387-V426 VanDerWaalsContact O-CA 3.24Å; L387-V426 WeakPolarHBondContact O-CA 3.18Å; L387-A427 PolarHBondContact O-N 2.85Å; L387-F441 WeakPolarHBondContact O-CE1 3.15Å; L387-V494 CarbonylContact C-O 2.78Å; L387-V494 WeakPolarHBondContact CA-O 3.2Å; L387-V494 HydrophobicContact CD1-CB 3.88Å; L387-V494 HydrophobicContact CD1-CG1 3.63Å; L387-I496 HydrophobicContact CD1-CD1 3.85Å; L387-I496 HydrophobicContact CD1-CG1 4.13Å
388	M	90.2	Very high	75.5	Confident	1 Å²	1	28.9 Å²	28.9	1%	0.005	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	133.1	176.1	-176.3	151.2	44.1	0	0	112	A427 I429 F441 M473 F478 V494 A495 I496	M388-A427 VanDerWaalsContact CA-O 3.32Å; M388-A427 WeakPolarHBondContact CA-O 3.33Å; M388-A427 HydrophobicContact CB-CB 4.16Å; M388-A427 HydrophobicContact CG-CB 3.89Å; M388-A427 HydrophobicContact SD-CB 3.73Å; M388-I429 HydrophobicContact SD-CD1 3.54Å; M388-I429 VanDerWaalsContact SD-CD1 3.54Å; M388-I429 HydrophobicContact SD-CG1 3.95Å; M388-F441 HydrophobicContact CB-CE1 4.45Å; M388-F441 HydrophobicContact CB-CE2 4.5Å; M388-F441 HydrophobicContact CB-CZ 3.8Å; M388-F441 HydrophobicContact CE-CE2 3.9Å; M388-F441 HydrophobicContact CE-CZ 4.13Å; M388-F441 HydrophobicContact SD-CE2 4.12Å; M388-F441 HydrophobicContact SD-CZ 4.36Å; M388-M473 HydrophobicContact CE-CG 3.43Å; M388-M473 VanDerWaalsContact CE-CG 3.43Å; M388-M473 HydrophobicContact CE-SD 4.46Å; M388-M473 HydrophobicContact SD-CG 4.18Å; M388-F478 HydrophobicContact CB-CZ 4.08Å; M388-F478 HydrophobicContact CE-CD1 3.99Å; M388-F478 HydrophobicContact CE-CD2 3.27Å; M388-F478 HydrophobicContact CE-CE1 3.95Å; M388-F478 HydrophobicContact CE-CE2 3.22Å; M388-F478 HydrophobicContact CE-CG 3.66Å; M388-F478 HydrophobicContact CE-CZ 3.58Å; M388-V494 PolarHBondContact N-O 3.21Å; M388-A495 CarbonylContact O-C 2.82Å; M388-A495 VanDerWaalsContact O-CA 3.3Å; M388-A495 WeakPolarHBondContact O-CA 3.25Å; M388-I496 PolarHBondContact O-N 2.7Å
389	F	92.9	Very high	77.4	Confident	0 Å²	0	30.9 Å²	30.9	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	132.4	169.4	-67.4	-88.9	0	0	0	110.1	L387 L391 L410 F413 I414 V426 A427 I428 I429 I496 I498	L387-F389 HydrophobicContact CD2-CE2 3.91Å; L387-F389 HydrophobicContact CD2-CZ 4.18Å; L387-F389 HydrophobicContact CG-CE2 4.06Å; F389-L391 HydrophobicContact CB-CD2 3.99Å; F389-L391 HydrophobicContact CB-CG 4.13Å; F389-L410 HydrophobicContact CB-CD2 3.99Å; F389-L410 HydrophobicContact CD1-CD2 3.49Å; F389-L410 VanDerWaalsContact CD1-CD2 3.49Å; F389-L410 HydrophobicContact CD2-CD2 3.6Å; F389-L410 HydrophobicContact CE1-CD2 3.75Å; F389-L410 HydrophobicContact CE2-CD2 3.86Å; F389-L410 HydrophobicContact CG-CD2 3.39Å; F389-L410 HydrophobicContact CZ-CD2 3.92Å; F389-F413 HydrophobicContact CE1-CD1 4.38Å; F389-F413 HydrophobicContact CZ-CB 4.37Å; F389-F413 AromaticContact CZ-CD1 3.64Å; F389-F413 HydrophobicContact CZ-CD1 3.64Å; F389-F413 HydrophobicContact CZ-CE1 4.25Å; F389-F413 HydrophobicContact CZ-CG 4.12Å; F389-I414 HydrophobicContact CD2-CD1 4.43Å; F389-I414 HydrophobicContact CE2-CD1 3.89Å; F389-I414 HydrophobicContact CE2-CG1 3.74Å; F389-I414 HydrophobicContact CZ-CG1 4.21Å; F389-V426 HydrophobicContact CD2-CG1 4.3Å; F389-V426 HydrophobicContact CE2-CG1 4.43Å; F389-A427 PolarHBondContact N-O 2.9Å; F389-I428 HydrophobicContact CB-CG1 4.48Å; F389-I428 HydrophobicContact CD2-CG1 4.48Å; F389-I429 PolarHBondContact O-N 2.83Å; F389-I496 WeakPolarHBondContact CA-O 3.12Å; F389-I496 HydrophobicContact CD1-CB 3.86Å; F389-I496 HydrophobicContact CD1-CD1 4.41Å; F389-I496 HydrophobicContact CD1-CG2 4.08Å; F389-I496 HydrophobicContact CE1-CB 3.99Å; F389-I496 HydrophobicContact CE1-CD1 3.69Å; F389-I496 HydrophobicContact CE1-CG1 4.39Å; F389-I496 HydrophobicContact CE1-CG2 4.1Å; F389-I496 HydrophobicContact CZ-CD1 4.03Å; F389-I498 HydrophobicContact CD1-CD1 4.28Å
390	L	92.2	Very high	78.9	Confident	0 Å²	0	25.4 Å²	25.4	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	93	171.3	-169.7	66.1	0	0	0	107.2	I429 F431 A469 M470 M473 I496 V497 I498	L390-I429 CarbonylContact C-O 3.19Å; L390-I429 WeakPolarHBondContact CA-O 3.41Å; L390-I429 HydrophobicContact CD1-CB 3.72Å; L390-I429 HydrophobicContact CD1-CG2 3.6Å; L390-F431 HydrophobicContact CD1-CD1 4.14Å; L390-F431 HydrophobicContact CG-CD1 3.89Å; L390-F431 HydrophobicContact CG-CE1 3.98Å; L390-A469 HydrophobicContact CD1-CB 4.05Å; L390-A469 HydrophobicContact CD2-CB 4.07Å; L390-A469 HydrophobicContact CG-CB 4.32Å; L390-M470 HydrophobicContact CD2-CB 4.42Å; L390-M470 HydrophobicContact CD2-CG 3.66Å; L390-M473 HydrophobicContact CB-SD 4.43Å; L390-M473 HydrophobicContact CD1-CB 4.41Å; L390-M473 HydrophobicContact CD2-SD 4.13Å; L390-I496 PolarHBondContact N-O 3.16Å; L390-V497 HydrophobicContact CB-CB 4.48Å; L390-V497 HydrophobicContact CB-CG1 4.42Å; L390-V497 HydrophobicContact CB-CG2 4.2Å; L390-V497 HydrophobicContact CD2-CG1 4.26Å; L390-V497 HydrophobicContact CD2-CG2 4.07Å; L390-V497 WeakPolarHBondContact O-CA 3.4Å; L390-I498 PolarHBondContact O-N 2.59Å
391	L	92.3	Very high	80.5	Confident	1 Å²	1	27.3 Å²	27.3	1%	0.005	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	126.7	-170.4	-57.3	176.7	0	0	0	111.1	F389 I406 M407 L410 I428 I429 Q430 F431 I498	F389-L391 HydrophobicContact CB-CD2 3.99Å; F389-L391 HydrophobicContact CB-CG 4.13Å; L391-I406 HydrophobicContact CD2-CG2 4.08Å; L391-M407 HydrophobicContact CD1-CE 3.8Å; L391-L410 HydrophobicContact CD1-CD1 3.47Å; L391-L410 VanDerWaalsContact CD1-CD1 3.47Å; L391-L410 HydrophobicContact CD2-CD1 3.96Å; L391-L410 HydrophobicContact CD2-CD2 4.24Å; L391-L410 HydrophobicContact CD2-CG 4.44Å; L391-L410 HydrophobicContact CG-CD1 4.34Å; L391-I428 HydrophobicContact CD1-CG2 3.42Å; L391-I428 VanDerWaalsContact CD1-CG2 3.42Å; L391-I428 HydrophobicContact CG-CG2 4.08Å; L391-I429 PolarHBondContact N-O 3.38Å; L391-Q430 CarbonylContact O-C 3.12Å; L391-Q430 VanDerWaalsContact O-CA 3.22Å; L391-Q430 WeakPolarHBondContact O-CA 3.3Å; L391-F431 WeakPolarHBondContact O-CD1 3.41Å; L391-F431 PolarHBondContact O-N 3.24Å; L391-I498 HydrophobicContact CD2-CB 4.27Å; L391-I498 HydrophobicContact CD2-CD1 3.77Å; L391-I498 HydrophobicContact CD2-CG1 4.15Å
392	D	88.6	Confident	82.1	Confident	2 Å²	2	25.6 Å²	25.6	1%	0.011	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	143	168	-158.7	-18.4	0	0	0	111	S394 I397 F402 F431 T464 I498 T499 D500	D392-S394 WeakPolarHBondContact OD1-CB 3.28Å; D392-S394 PolarHBondContact OD1-N 3.2Å; D392-S394 PolarHBondContact OD1-OG 3.48Å; D392-I397 VanDerWaalsContact C-CD1 3.46Å; D392-I397 HydrophobicContact CB-CD1 3.89Å; D392-I397 WeakPolarHBondContact O-CD1 3.4Å; D392-F402 VanDerWaalsContact O-CE2 3.32Å; D392-F402 WeakPolarHBondContact O-CE2 3.1Å; D392-F431 HydrophobicContact CB-CE1 3.97Å; D392-F431 HydrophobicContact CB-CE2 4.36Å; D392-F431 HydrophobicContact CB-CZ 3.77Å; D392-T464 WeakPolarHBondContact OD2-CG2 3.44Å; D392-I498 VanDerWaalsContact CB-O 3.25Å; D392-I498 WeakPolarHBondContact CB-O 3Å; D392-I498 PolarHBondContact N-O 3.42Å; D392-T499 WeakPolarHBondContact OD2-CB 3.28Å; D392-T499 PolarHBondContact OD2-OG1 2.84Å; D392-D500 PolarHBondContact OD2-N 3.43Å
393	G	85.9	Confident	83.2	Confident	0 Å²	0	29.9 Å²	29.9	0%	0	19%	0.185	C	C	.	.			trans	-142.9	29.6	177.2	0	0	0	0	0	110	F431 S432 L460	G393-F431 CarbonylContact C-O 3.46Å; G393-F431 WeakPolarHBondContact CA-O 3.44Å; G393-F431 PolarHBondContact N-O 3.34Å; G393-S432 WeakPolarHBondContact O-CB 3.39Å; G393-L460 CarbonylContact O-C 3.51Å; G393-L460 WeakPolarHBondContact O-CB 3.16Å
394	S	82.9	Confident	83.7	Confident	1 Å²	1	30.7 Å²	30.7	1%	0.007	19%	0.191	C	C	.	.			trans	-55.8	166.2	166.9	75.3	0	0	0	0	111.3	D392 S396 Y459 T464 D500	D392-S394 WeakPolarHBondContact OD1-CB 3.28Å; D392-S394 PolarHBondContact OD1-N 3.2Å; D392-S394 PolarHBondContact OD1-OG 3.48Å; S394-S396 VanDerWaalsContact C-N 3.25Å; S394-S396 PolarHBondContact O-N 2.64Å; S394-S396 PolarHBondContact OG-OG 3.08Å; S394-Y459 PolarHBondContact O-OH 3.38Å; S394-T464 VanDerWaalsContact CB-OG1 3.32Å; S394-T464 WeakPolarHBondContact CB-OG1 2.97Å; S394-D500 PolarHBondContact OG-OD1 3.06Å
395	G	76.7	Confident	84	Confident	47 Å²	47	30.2 Å²	30.2	49%	0.485	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71	-12	-179.3	0	0	0	0	0	115.7	Y459 G462	G395-Y459 PolarHBondContact O-OH 3.07Å; G395-G462 PolarHBondContact N-O 3.39Å
396	S	73.7	Confident	84.1	Confident	82 Å²	82	30.1 Å²	30.1	57%	0.573	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84	-33.4	-173.3	32.3	0	0	0	0	113.8	S394 G398 D500	S394-S396 VanDerWaalsContact C-N 3.25Å; S394-S396 PolarHBondContact O-N 2.64Å; S394-S396 PolarHBondContact OG-OG 3.08Å; S396-G398 PolarHBondContact O-N 3.01Å; S396-D500 WeakPolarHBondContact CB-OD2 3.07Å; S396-D500 PolarHBondContact OG-OD1 3.42Å; S396-D500 PolarHBondContact OG-OD2 2.89Å
397	I	80.2	Confident	84	Confident	9 Å²	9	30.4 Å²	30.4	5%	0.046	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-45.8	179.4	-55.6	174.1	0	0	0	111.9	D392 V401 F402 I406 Y459 D500 F551	D392-I397 VanDerWaalsContact C-CD1 3.46Å; D392-I397 HydrophobicContact CB-CD1 3.89Å; D392-I397 WeakPolarHBondContact O-CD1 3.4Å; I397-V401 HydrophobicContact CG2-CB 4.17Å; I397-V401 HydrophobicContact CG2-CG1 4.2Å; I397-V401 VanDerWaalsContact O-CB 3.32Å; I397-V401 WeakPolarHBondContact O-CB 3.18Å; I397-V401 WeakPolarHBondContact O-CG2 3.15Å; I397-F402 HydrophobicContact CG2-CB 3.98Å; I397-I406 HydrophobicContact CD1-CD1 4.19Å; I397-I406 HydrophobicContact CG2-CD1 3.82Å; I397-Y459 HydrophobicContact CB-CE2 4.19Å; I397-D500 HydrophobicContact CG1-CB 3.81Å; I397-D500 VanDerWaalsContact CG1-OD2 3.24Å; I397-D500 WeakPolarHBondContact CG1-OD2 3.03Å; I397-D500 PolarHBondContact N-OD2 3.32Å; I397-F551 HydrophobicContact CB-CZ 4.35Å; I397-F551 HydrophobicContact CG1-CE1 4.45Å; I397-F551 HydrophobicContact CG1-CZ 4.16Å; I397-F551 HydrophobicContact CG2-CE1 3.94Å; I397-F551 HydrophobicContact CG2-CZ 3.96Å
398	G	76.5	Confident	83.8	Confident	23 Å²	23	34.5 Å²	34.5	24%	0.237	20%	0.2	C	C	.	.			trans	84.3	145.9	-173.1	0	0	0	0	0	113.8	S396 S400 V401 F402 Y459	S396-G398 PolarHBondContact O-N 3.01Å; G398-S400 VanDerWaalsContact C-N 3.34Å; G398-S400 PolarHBondContact O-N 3.37Å; G398-V401 PolarHBondContact O-N 2.66Å; G398-F402 WeakPolarHBondContact O-CB 3.5Å; G398-F402 PolarHBondContact O-N 2.84Å; G398-F402 VanDerWaalsContact O-N 3.07Å; G398-Y459 VanDerWaalsContact CA-OH 3.3Å; G398-Y459 WeakPolarHBondContact CA-OH 3.16Å; G398-Y459 PolarHBondContact N-OH 3.03Å
399	S	80.3	Confident	83.6	Confident	76 Å²	76	34.6 Å²	34.6	53%	0.531	20%	0.2	S	C	.	.	H	α-helix	trans	-69.8	-25.8	-171.7	56.7	0	0	0	0	114.9	R403	S399-R403 WeakPolarHBondContact O-CB 3.5Å; S399-R403 PolarHBondContact O-N 2.83Å
400	S	79.5	Confident	83.3	Confident	67 Å²	67	34.6 Å²	34.6	47%	0.469	20%	0.2	S	C	.	.	H	α-helix	trans	-71.4	-55.2	173.1	43.8	0	0	0	0	110.7	G398 F402 R403 D404	G398-S400 VanDerWaalsContact C-N 3.34Å; G398-S400 PolarHBondContact O-N 3.37Å; S400-F402 VanDerWaalsContact C-N 3.32Å; S400-F402 PolarHBondContact O-N 3.32Å; S400-R403 PolarHBondContact O-N 3.45Å; S400-D404 WeakPolarHBondContact O-CB 3.38Å; S400-D404 PolarHBondContact O-N 2.56Å
401	V	80.8	Confident	83	Confident	42 Å²	42	37.8 Å²	37.8	26%	0.255	21%	0.212	S	C	.	.	H	α-helix	trans	-58.7	-43	-178.1	-175.2	0	0	0	0	111.5	I397 G398 R403 E405 I406 F551	I397-V401 HydrophobicContact CG2-CB 4.17Å; I397-V401 HydrophobicContact CG2-CG1 4.2Å; I397-V401 VanDerWaalsContact O-CB 3.32Å; I397-V401 WeakPolarHBondContact O-CB 3.18Å; I397-V401 WeakPolarHBondContact O-CG2 3.15Å; G398-V401 PolarHBondContact O-N 2.66Å; V401-R403 VanDerWaalsContact C-N 3.31Å; V401-R403 PolarHBondContact O-N 3.09Å; V401-E405 HydrophobicContact CG1-CB 4.41Å; V401-E405 HydrophobicContact CG1-CG 4.4Å; V401-E405 WeakPolarHBondContact O-CB 2.88Å; V401-E405 PolarHBondContact O-N 3.39Å; V401-I406 PolarHBondContact O-N 2.86Å; V401-F551 HydrophobicContact CG1-CB 3.55Å; V401-F551 HydrophobicContact CG1-CD1 3.73Å; V401-F551 HydrophobicContact CG1-CD2 3.46Å; V401-F551 VanDerWaalsContact CG1-CD2 3.46Å; V401-F551 HydrophobicContact CG1-CE1 4.28Å; V401-F551 HydrophobicContact CG1-CE2 4.02Å; V401-F551 HydrophobicContact CG1-CG 3.28Å; V401-F551 HydrophobicContact CG1-CZ 4.39Å
402	F	85.5	Confident	82.4	Confident	2 Å²	2	41 Å²	41	1%	0.009	23%	0.229	C	C	.	.	I	π-helix	trans	-59.8	-39.7	175.5	-176	-87.8	0	0	0	112.6	D392 I397 G398 S400 I406 M407 Q430 I457 Y459	D392-F402 VanDerWaalsContact O-CE2 3.32Å; D392-F402 WeakPolarHBondContact O-CE2 3.1Å; I397-F402 HydrophobicContact CG2-CB 3.98Å; G398-F402 WeakPolarHBondContact O-CB 3.5Å; G398-F402 PolarHBondContact O-N 2.84Å; G398-F402 VanDerWaalsContact O-N 3.07Å; S400-F402 VanDerWaalsContact C-N 3.32Å; S400-F402 PolarHBondContact O-N 3.32Å; F402-I406 HydrophobicContact CD2-CD1 3.93Å; F402-M407 HydrophobicContact CD1-CE 4.41Å; F402-M407 HydrophobicContact CE1-CE 3.44Å; F402-M407 VanDerWaalsContact CE1-CE 3.44Å; F402-M407 HydrophobicContact CE1-CG 4.47Å; F402-M407 HydrophobicContact CE2-CE 4.3Å; F402-M407 HydrophobicContact CZ-CE 3.35Å; F402-M407 WeakPolarHBondContact O-CG 3.36Å; F402-M407 PolarHBondContact O-N 3.22Å; F402-Q430 HydrophobicContact CE2-CG 4.24Å; F402-Q430 HydrophobicContact CZ-CG 4.08Å; F402-I457 HydrophobicContact CE1-CG2 3.91Å; F402-I457 HydrophobicContact CZ-CG2 4.03Å; F402-Y459 HydrophobicContact CB-CD2 3.56Å; F402-Y459 HydrophobicContact CB-CE2 4.13Å; F402-Y459 HydrophobicContact CB-CG 4.32Å; F402-Y459 HydrophobicContact CD1-CD2 4.1Å; F402-Y459 AromaticContact CD2-CD2 3.98Å; F402-Y459 HydrophobicContact CD2-CD2 3.98Å; F402-Y459 AromaticContact CG-CD2 3.61Å; F402-Y459 HydrophobicContact CG-CD2 3.61Å; F402-Y459 HydrophobicContact CG-CE2 4.44Å; F402-Y459 HydrophobicContact CG-CG 4.4Å
403	R	81.6	Confident	82.2	Confident	161 Å²	161	40.9 Å²	40.9	61%	0.608	23%	0.229	S	C	*	.	I	π-helix	trans	-80.9	-36.2	-178.9	-168.6	-161.9	67.4	-173.2	-8.2	113.2	S399 S400 V401 M407	S399-R403 WeakPolarHBondContact O-CB 3.5Å; S399-R403 PolarHBondContact O-N 2.83Å; S400-R403 PolarHBondContact O-N 3.45Å; V401-R403 VanDerWaalsContact C-N 3.31Å; V401-R403 PolarHBondContact O-N 3.09Å; R403-M407 WeakPolarHBondContact O-CB 3.41Å
404	D	78.8	Confident	82.1	Confident	66 Å²	66	40.9 Å²	40.9	35%	0.353	23%	0.229	S	C	.	.	I	π-helix	trans	-98.7	-28.8	-167.1	-62.2	-26.1	0	0	0	112.5	S400 R408	S400-D404 WeakPolarHBondContact O-CB 3.38Å; S400-D404 PolarHBondContact O-N 2.56Å; D404-R408 VanDerWaalsContact O-CB 3.27Å; D404-R408 WeakPolarHBondContact O-CB 3.46Å
405	E	83.3	Confident	82	Confident	45 Å²	45	43.9 Å²	43.9	21%	0.21	25%	0.249	C	C	.	.	I	π-helix	trans	-107.5	-54.9	177	-57.8	-55.4	157.6	0	0	113.1	V401 M407 R408 F409 F551	V401-E405 HydrophobicContact CG1-CB 4.41Å; V401-E405 HydrophobicContact CG1-CG 4.4Å; V401-E405 WeakPolarHBondContact O-CB 2.88Å; V401-E405 PolarHBondContact O-N 3.39Å; E405-M407 PolarHBondContact O-N 3.14Å; E405-R408 WeakPolarHBondContact O-CA 3.39Å; E405-R408 WeakPolarHBondContact O-CB 3.19Å; E405-R408 PolarHBondContact O-N 3.38Å; E405-R408 IonicContact OE2-CZ 3.16Å; E405-R408 VanDerWaalsContact OE2-CZ 3.24Å; E405-R408 IonicContact OE2-NE 2.66Å; E405-R408 PolarHBondContact OE2-NE 2.89Å; E405-R408 IonicContact OE2-NH2 2.7Å; E405-R408 PolarHBondContact OE2-NH2 3.05Å; E405-F409 PolarHBondContact O-N 2.95Å; E405-F551 HydrophobicContact CB-CB 3.89Å; E405-F551 HydrophobicContact CG-CB 4.1Å
406	I	87	Confident	81.9	Confident	4 Å²	4	43.7 Å²	43.7	2%	0.021	24%	0.237	C	C	.	.	I	π-helix	trans	-64.7	-43	-175.3	-56.9	-179	0	0	0	110.8	L391 I397 V401 F402 R408 F409 L410 F551 L554	L391-I406 HydrophobicContact CD2-CG2 4.08Å; I397-I406 HydrophobicContact CD1-CD1 4.19Å; I397-I406 HydrophobicContact CG2-CD1 3.82Å; V401-I406 PolarHBondContact O-N 2.86Å; F402-I406 HydrophobicContact CD2-CD1 3.93Å; I406-R408 VanDerWaalsContact C-N 3.26Å; I406-R408 PolarHBondContact O-N 3.02Å; I406-F409 PolarHBondContact O-N 3.34Å; I406-L410 HydrophobicContact CG2-CD1 3.99Å; I406-L410 WeakPolarHBondContact O-CB 2.99Å; I406-L410 WeakPolarHBondContact O-CD1 3.44Å; I406-L410 WeakPolarHBondContact O-CG 3.46Å; I406-L410 PolarHBondContact O-N 3.16Å; I406-F551 HydrophobicContact CD1-CD1 4.02Å; I406-F551 HydrophobicContact CD1-CE1 3.83Å; I406-F551 HydrophobicContact CG1-CD1 3.92Å; I406-F551 HydrophobicContact CG1-CE1 4.26Å; I406-L554 HydrophobicContact CG1-CD1 4.4Å
407	M	86.7	Confident	82	Confident	5 Å²	5	40.3 Å²	40.3	3%	0.025	21%	0.212	C	C	.	.	H	α-helix	trans	-77.3	-4.7	174.9	-63.4	-66.4	157.1	0	0	114.5	L391 F402 R403 E405 L410 R411 L454 I457	L391-M407 HydrophobicContact CD1-CE 3.8Å; F402-M407 HydrophobicContact CD1-CE 4.41Å; F402-M407 HydrophobicContact CE1-CE 3.44Å; F402-M407 VanDerWaalsContact CE1-CE 3.44Å; F402-M407 HydrophobicContact CE1-CG 4.47Å; F402-M407 HydrophobicContact CE2-CE 4.3Å; F402-M407 HydrophobicContact CZ-CE 3.35Å; F402-M407 WeakPolarHBondContact O-CG 3.36Å; F402-M407 PolarHBondContact O-N 3.22Å; R403-M407 WeakPolarHBondContact O-CB 3.41Å; E405-M407 PolarHBondContact O-N 3.14Å; M407-L410 HydrophobicContact CE-CD1 3.75Å; M407-L410 HydrophobicContact SD-CD1 3.55Å; M407-L410 VanDerWaalsContact SD-CD1 3.55Å; M407-R411 PolarHBondContact O-NE 2.84Å; M407-R411 PolarHBondContact O-NH2 3.2Å; M407-L454 HydrophobicContact SD-CD2 3.61Å; M407-I457 HydrophobicContact CE-CB 3.89Å; M407-I457 HydrophobicContact CE-CD1 3.77Å; M407-I457 HydrophobicContact CE-CG1 4.36Å; M407-I457 HydrophobicContact CE-CG2 3.64Å; M407-I457 HydrophobicContact SD-CB 4.39Å; M407-I457 HydrophobicContact SD-CD1 4.1Å
408	R	84.6	Confident	81.8	Confident	91 Å²	91	43.8 Å²	43.8	34%	0.343	23%	0.231	S	C	.	.	H	α-helix	trans	-83.6	-56.7	165.2	177.1	177.6	72	81.3	-7.5	109.2	D404 E405 I406 L410 R411 D412	D404-R408 VanDerWaalsContact O-CB 3.27Å; D404-R408 WeakPolarHBondContact O-CB 3.46Å; E405-R408 WeakPolarHBondContact O-CA 3.39Å; E405-R408 WeakPolarHBondContact O-CB 3.19Å; E405-R408 PolarHBondContact O-N 3.38Å; E405-R408 IonicContact OE2-CZ 3.16Å; E405-R408 VanDerWaalsContact OE2-CZ 3.24Å; E405-R408 IonicContact OE2-NE 2.66Å; E405-R408 PolarHBondContact OE2-NE 2.89Å; E405-R408 IonicContact OE2-NH2 2.7Å; E405-R408 PolarHBondContact OE2-NH2 3.05Å; I406-R408 VanDerWaalsContact C-N 3.26Å; I406-R408 PolarHBondContact O-N 3.02Å; R408-L410 VanDerWaalsContact C-N 3.28Å; R408-L410 PolarHBondContact O-N 2.55Å; R408-R411 WeakPolarHBondContact O-CB 3.12Å; R408-R411 PolarHBondContact O-N 2.92Å; R408-D412 IonicContact NH1-OD2 2.95Å; R408-D412 PolarHBondContact O-N 3.37Å
409	F	85.4	Confident	82.1	Confident	2 Å²	2	43.5 Å²	43.5	1%	0.009	22%	0.224	C	C	.	.	H	α-helix	trans	-52	-43.1	175.9	176.1	-107.4	0	0	0	113.1	E405 I406 R411 D412 F413 I498 L554 L558 R559 I562	E405-F409 PolarHBondContact O-N 2.95Å; I406-F409 PolarHBondContact O-N 3.34Å; F409-R411 PolarHBondContact O-N 3.38Å; F409-D412 PolarHBondContact O-N 2.96Å; F409-F413 HydrophobicContact CE1-CD2 4.47Å; F409-F413 HydrophobicContact CE2-CD2 4.13Å; F409-F413 AromaticContact CZ-CD2 3.78Å; F409-F413 HydrophobicContact CZ-CD2 3.78Å; F409-F413 HydrophobicContact CZ-CG 4.45Å; F409-F413 WeakPolarHBondContact O-CB 3.44Å; F409-F413 PolarHBondContact O-N 3.25Å; F409-I498 HydrophobicContact CD1-CD1 3.88Å; F409-I498 HydrophobicContact CE1-CD1 3.75Å; F409-L554 HydrophobicContact CB-CB 3.8Å; F409-L554 HydrophobicContact CB-CD1 4.17Å; F409-L554 HydrophobicContact CD2-CB 3.72Å; F409-L554 WeakPolarHBondContact CD2-O 3.49Å; F409-L554 HydrophobicContact CE2-CB 4.44Å; F409-L554 HydrophobicContact CG-CB 3.77Å; F409-L554 HydrophobicContact CG-CD1 4.35Å; F409-L554 HydrophobicContact CG-CG 4.44Å; F409-L558 HydrophobicContact CE2-CD2 4.13Å; F409-L558 HydrophobicContact CZ-CD2 4.34Å; F409-R559 HydrophobicContact CE2-CB 4.35Å; F409-I562 HydrophobicContact CZ-CD1 4.19Å
410	L	87.1	Confident	82	Confident	0 Å²	0	41.3 Å²	41.3	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-58.6	-48.3	176.2	-81.2	158.3	0	0	0	112.8	F389 L391 I406 M407 R408 F413 I414 L454	F389-L410 HydrophobicContact CB-CD2 3.99Å; F389-L410 HydrophobicContact CD1-CD2 3.49Å; F389-L410 VanDerWaalsContact CD1-CD2 3.49Å; F389-L410 HydrophobicContact CD2-CD2 3.6Å; F389-L410 HydrophobicContact CE1-CD2 3.75Å; F389-L410 HydrophobicContact CE2-CD2 3.86Å; F389-L410 HydrophobicContact CG-CD2 3.39Å; F389-L410 HydrophobicContact CZ-CD2 3.92Å; L391-L410 HydrophobicContact CD1-CD1 3.47Å; L391-L410 VanDerWaalsContact CD1-CD1 3.47Å; L391-L410 HydrophobicContact CD2-CD1 3.96Å; L391-L410 HydrophobicContact CD2-CD2 4.24Å; L391-L410 HydrophobicContact CD2-CG 4.44Å; L391-L410 HydrophobicContact CG-CD1 4.34Å; I406-L410 HydrophobicContact CG2-CD1 3.99Å; I406-L410 WeakPolarHBondContact O-CB 2.99Å; I406-L410 WeakPolarHBondContact O-CD1 3.44Å; I406-L410 WeakPolarHBondContact O-CG 3.46Å; I406-L410 PolarHBondContact O-N 3.16Å; M407-L410 HydrophobicContact CE-CD1 3.75Å; M407-L410 HydrophobicContact SD-CD1 3.55Å; M407-L410 VanDerWaalsContact SD-CD1 3.55Å; R408-L410 VanDerWaalsContact C-N 3.28Å; R408-L410 PolarHBondContact O-N 2.55Å; L410-F413 PolarHBondContact O-N 3.03Å; L410-I414 HydrophobicContact CB-CD1 4.45Å; L410-I414 HydrophobicContact CD2-CD1 4.31Å; L410-I414 WeakPolarHBondContact O-CB 3.39Å; L410-I414 VanDerWaalsContact O-CD1 3.28Å; L410-I414 WeakPolarHBondContact O-CD1 3.5Å; L410-I414 WeakPolarHBondContact O-CG1 3.26Å; L410-I414 PolarHBondContact O-N 2.87Å; L410-L454 HydrophobicContact CB-CD2 3.91Å; L410-L454 HydrophobicContact CD1-CD2 4.08Å; L410-L454 HydrophobicContact CG-CD2 4.48Å
411	R	85.5	Confident	81.9	Confident	68 Å²	68	40.6 Å²	40.6	26%	0.257	20%	0.202	S	C	.	.	H	α-helix	trans	-58.7	-51.6	176.3	-113.1	172.3	-69.8	-132.5	-3.8	110.6	M407 R408 F409 F413 I414 S415 E451 L454 N455	M407-R411 PolarHBondContact O-NE 2.84Å; M407-R411 PolarHBondContact O-NH2 3.2Å; R408-R411 WeakPolarHBondContact O-CB 3.12Å; R408-R411 PolarHBondContact O-N 2.92Å; F409-R411 PolarHBondContact O-N 3.38Å; R411-F413 VanDerWaalsContact C-N 3.33Å; R411-F413 PolarHBondContact O-N 2.7Å; R411-I414 PolarHBondContact O-N 3.13Å; R411-S415 WeakPolarHBondContact O-CB 3.46Å; R411-S415 PolarHBondContact O-N 3.11Å; R411-E451 HydrophobicContact CG-CG 4.37Å; R411-L454 HydrophobicContact CG-CD1 4.02Å; R411-N455 PolarHBondContact NH1-OD1 2.86Å
412	D	80.4	Confident	81.7	Confident	67 Å²	67	44.8 Å²	44.8	36%	0.358	22%	0.223	S	C	.	.	H	α-helix	trans	-64.5	-38.2	-176.1	-64.7	-21.7	0	0	0	111.4	R408 F409 S415 R559	R408-D412 IonicContact NH1-OD2 2.95Å; R408-D412 PolarHBondContact O-N 3.37Å; F409-D412 PolarHBondContact O-N 2.96Å; D412-S415 PolarHBondContact O-OG 3.5Å; D412-R559 VanDerWaalsContact O-CD 3.28Å; D412-R559 WeakPolarHBondContact O-CD 3.26Å; D412-R559 PolarHBondContact O-NH1 3.32Å
413	F	83.9	Confident	81.4	Confident	1 Å²	1	47.2 Å²	47.2	0%	0.004	23%	0.234	C	C	.	.	H	α-helix	trans	-69.3	-48.8	175.6	-164.4	-78.7	0	0	0	112.4	L387 F389 F409 L410 R411 S415 L416 F417 I496 R559 I562	L387-F413 HydrophobicContact CD2-CD1 4.25Å; L387-F413 HydrophobicContact CD2-CE1 3.97Å; F389-F413 HydrophobicContact CE1-CD1 4.38Å; F389-F413 HydrophobicContact CZ-CB 4.37Å; F389-F413 AromaticContact CZ-CD1 3.64Å; F389-F413 HydrophobicContact CZ-CD1 3.64Å; F389-F413 HydrophobicContact CZ-CE1 4.25Å; F389-F413 HydrophobicContact CZ-CG 4.12Å; F409-F413 HydrophobicContact CE1-CD2 4.47Å; F409-F413 HydrophobicContact CE2-CD2 4.13Å; F409-F413 AromaticContact CZ-CD2 3.78Å; F409-F413 HydrophobicContact CZ-CD2 3.78Å; F409-F413 HydrophobicContact CZ-CG 4.45Å; F409-F413 WeakPolarHBondContact O-CB 3.44Å; F409-F413 PolarHBondContact O-N 3.25Å; L410-F413 PolarHBondContact O-N 3.03Å; R411-F413 VanDerWaalsContact C-N 3.33Å; R411-F413 PolarHBondContact O-N 2.7Å; F413-S415 VanDerWaalsContact C-N 3.25Å; F413-S415 PolarHBondContact O-N 2.94Å; F413-L416 WeakPolarHBondContact O-CB 3.33Å; F413-L416 PolarHBondContact O-N 3.42Å; F413-F417 HydrophobicContact CD1-CD2 4.46Å; F413-F417 HydrophobicContact CD1-CE2 4.05Å; F413-F417 HydrophobicContact CE1-CD2 4.26Å; F413-F417 AromaticContact CE1-CE2 3.46Å; F413-F417 HydrophobicContact CE1-CE2 3.46Å; F413-F417 VanDerWaalsContact CE1-CE2 3.46Å; F413-F417 HydrophobicContact CE1-CZ 4.21Å; F413-F417 HydrophobicContact CZ-CE2 4.1Å; F413-I496 HydrophobicContact CD1-CD1 4.37Å; F413-I496 HydrophobicContact CE1-CD1 3.7Å; F413-I496 HydrophobicContact CE2-CD1 4.29Å; F413-I496 HydrophobicContact CZ-CD1 3.69Å; F413-R559 HydrophobicContact CB-CG 4.49Å; F413-R559 HydrophobicContact CD2-CB 4.2Å; F413-R559 HydrophobicContact CD2-CG 3.72Å; F413-R559 HydrophobicContact CE2-CG 4.23Å; F413-R559 HydrophobicContact CG-CG 4.39Å; F413-I562 HydrophobicContact CE2-CB 3.84Å; F413-I562 HydrophobicContact CE2-CG2 3.77Å; F413-I562 HydrophobicContact CZ-CB 4.21Å; F413-I562 HydrophobicContact CZ-CG2 3.7Å
414	I	84	Confident	81.6	Confident	0 Å²	0	39.6 Å²	39.6	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-64.2	-33	-177.3	-70	165.2	0	0	0	110.8	F389 L410 R411 L416 F417 I419 V426 M447 V450 L454	F389-I414 HydrophobicContact CD2-CD1 4.43Å; F389-I414 HydrophobicContact CE2-CD1 3.89Å; F389-I414 HydrophobicContact CE2-CG1 3.74Å; F389-I414 HydrophobicContact CZ-CG1 4.21Å; L410-I414 HydrophobicContact CB-CD1 4.45Å; L410-I414 HydrophobicContact CD2-CD1 4.31Å; L410-I414 WeakPolarHBondContact O-CB 3.39Å; L410-I414 VanDerWaalsContact O-CD1 3.28Å; L410-I414 WeakPolarHBondContact O-CD1 3.5Å; L410-I414 WeakPolarHBondContact O-CG1 3.26Å; L410-I414 PolarHBondContact O-N 2.87Å; R411-I414 PolarHBondContact O-N 3.13Å; I414-L416 PolarHBondContact O-N 2.82Å; I414-L416 VanDerWaalsContact O-N 3.1Å; I414-F417 PolarHBondContact O-N 2.71Å; I414-I419 HydrophobicContact CG2-CD1 4Å; I414-I419 HydrophobicContact CG2-CG1 4.03Å; I414-V426 HydrophobicContact CD1-CG1 3.95Å; I414-V426 HydrophobicContact CG1-CG1 4.44Å; I414-V426 HydrophobicContact CG1-CG2 4.29Å; I414-V426 HydrophobicContact CG2-CG2 4.23Å; I414-M447 HydrophobicContact CG2-CE 4.14Å; I414-M447 HydrophobicContact CG2-SD 3.76Å; I414-V450 HydrophobicContact CD1-CG1 3.96Å; I414-V450 HydrophobicContact CG2-CG1 4.07Å; I414-L454 HydrophobicContact CD1-CD1 4.19Å
415	S	80.7	Confident	81.9	Confident	64 Å²	64	38.7 Å²	38.7	45%	0.448	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-23.1	177.7	76.6	0	0	0	0	114.9	R411 D412 F413 F417	R411-S415 WeakPolarHBondContact O-CB 3.46Å; R411-S415 PolarHBondContact O-N 3.11Å; D412-S415 PolarHBondContact O-OG 3.5Å; F413-S415 VanDerWaalsContact C-N 3.25Å; F413-S415 PolarHBondContact O-N 2.94Å; S415-F417 VanDerWaalsContact C-N 3.28Å; S415-F417 PolarHBondContact O-N 2.88Å
416	L	73.9	Confident	82.3	Confident	42 Å²	42	36.6 Å²	36.6	22%	0.22	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.4	-16.5	177.1	-65.4	-179.1	0	0	0	113.7	F413 I414 R559	F413-L416 WeakPolarHBondContact O-CB 3.33Å; F413-L416 PolarHBondContact O-N 3.42Å; I414-L416 PolarHBondContact O-N 2.82Å; I414-L416 VanDerWaalsContact O-N 3.1Å; L416-R559 HydrophobicContact CD1-CG 3.45Å; L416-R559 VanDerWaalsContact CD1-CG 3.45Å; L416-R559 HydrophobicContact CG-CG 4.46Å
417	F	76.1	Confident	82.4	Confident	11 Å²	11	36.5 Å²	36.5	5%	0.048	19%	0.186	C	C	.	.	S	Bend	trans	-106.1	135.9	-176.1	-68.7	-91.9	0	0	0	110.8	L387 F413 I414 S415 I419 T424 Q563	L387-F417 HydrophobicContact CD2-CD2 4.36Å; L387-F417 HydrophobicContact CD2-CE2 4.39Å; F413-F417 HydrophobicContact CD1-CD2 4.46Å; F413-F417 HydrophobicContact CD1-CE2 4.05Å; F413-F417 HydrophobicContact CE1-CD2 4.26Å; F413-F417 AromaticContact CE1-CE2 3.46Å; F413-F417 HydrophobicContact CE1-CE2 3.46Å; F413-F417 VanDerWaalsContact CE1-CE2 3.46Å; F413-F417 HydrophobicContact CE1-CZ 4.21Å; F413-F417 HydrophobicContact CZ-CE2 4.1Å; I414-F417 PolarHBondContact O-N 2.71Å; S415-F417 VanDerWaalsContact C-N 3.28Å; S415-F417 PolarHBondContact O-N 2.88Å; F417-I419 VanDerWaalsContact C-N 3.29Å; F417-I419 HydrophobicContact CB-CD1 3.97Å; F417-I419 PolarHBondContact O-N 2.81Å; F417-T424 HydrophobicContact CB-CG2 3.77Å; F417-T424 HydrophobicContact CD1-CG2 3.98Å; F417-T424 HydrophobicContact CG-CG2 4.07Å; F417-Q563 HydrophobicContact CZ-CG 4.33Å
418	N	75.9	Confident	82.7	Confident	83 Å²	83	36.2 Å²	36.2	44%	0.444	19%	0.185	S	C	.	.			trans	-79.3	82.8	-179	-156.9	-78.6	0	0	0	109	P381 S420 K423	P381-N418 HydrophobicContact CB-CB 4.38Å; P381-N418 WeakPolarHBondContact O-CB 3.37Å; P381-N418 PolarHBondContact O-N 2.65Å; N418-S420 PolarHBondContact O-N 2.62Å; N418-S420 VanDerWaalsContact O-N 3.16Å; N418-K423 HydrophobicContact CB-CD 3.92Å; N418-K423 PolarHBondContact OD1-NZ 3.15Å
419	I	82.6	Confident	83	Confident	17 Å²	17	31.9 Å²	31.9	9%	0.087	17%	0.169	C	C	.	.	B	Isolated β-bridge	trans	-58	116.7	-175.6	-54.4	-48.8	0	0	0	109.9	I414 F417 T424 V426 M447 V450	I414-I419 HydrophobicContact CG2-CD1 4Å; I414-I419 HydrophobicContact CG2-CG1 4.03Å; F417-I419 VanDerWaalsContact C-N 3.29Å; F417-I419 HydrophobicContact CB-CD1 3.97Å; F417-I419 PolarHBondContact O-N 2.81Å; I419-T424 WeakPolarHBondContact CA-O 3.31Å; I419-T424 HydrophobicContact CD1-CG2 4.04Å; I419-V426 HydrophobicContact CD1-CG2 3.75Å; I419-M447 HydrophobicContact CG1-SD 4.08Å; I419-V450 HydrophobicContact CG2-CG2 4.1Å
420	S	78.8	Confident	83.4	Confident	30 Å²	30	31.8 Å²	31.8	21%	0.21	17%	0.168	C	C	.	.			trans	-163	142.4	-170.6	178.9	0	0	0	0	109.9	N418 N422 K423 T424 T445	N418-S420 PolarHBondContact O-N 2.62Å; N418-S420 VanDerWaalsContact O-N 3.16Å; S420-N422 PolarHBondContact O-N 3.4Å; S420-K423 PolarHBondContact O-N 3.31Å; S420-T424 PolarHBondContact N-O 3.39Å; S420-T424 VanDerWaalsContact O-O 3.06Å; S420-T445 VanDerWaalsContact CA-O 3.31Å; S420-T445 WeakPolarHBondContact CA-O 3.01Å
421	P	76.7	Confident	83.6	Confident	51 Å²	51	31.8 Å²	31.8	33%	0.331	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-17.4	179.8	25.5	-34.1	0	0	0	113.5	R425 T445	P421-R425 PolarHBondContact O-NE 2.82Å; P421-R425 PolarHBondContact O-NH2 2.58Å; P421-T445 HydrophobicContact CB-CG2 4.26Å; P421-T445 WeakPolarHBondContact CD-O 3.5Å
422	N	77.3	Confident	83.7	Confident	130 Å²	130	28.6 Å²	28.6	70%	0.695	16%	0.156	S	C	*	.	T	Hydrogen-bonded Turn	trans	-103.8	-20.1	177.6	-65	-12.8	0	0	0	114.3	S420 R485	S420-N422 PolarHBondContact O-N 3.4Å; N422-R485 PolarHBondContact O-NH1 2.63Å
423	K	79.4	Confident	83.8	Confident	54 Å²	54	28.1 Å²	28.1	24%	0.235	15%	0.154	C	C	.	.	S	Bend	trans	-106.7	-113.2	-179.2	-57	174.9	163	-166.2	0	110.4	S382 Q383 P384 T385 N418 S420 R485	S382-K423 PolarHBondContact OG-NZ 3.23Å; Q383-K423 CarbonylContact O-C 3.53Å; Q383-K423 VanDerWaalsContact O-C 3.23Å; Q383-K423 WeakPolarHBondContact O-CA 3.28Å; P384-K423 WeakPolarHBondContact CA-O 3.23Å; T385-K423 PolarHBondContact N-O 2.81Å; N418-K423 HydrophobicContact CB-CD 3.92Å; N418-K423 PolarHBondContact OD1-NZ 3.15Å; S420-K423 PolarHBondContact O-N 3.31Å; K423-R485 VanDerWaalsContact O-CZ 3.27Å; K423-R485 PolarHBondContact O-NH1 3.12Å; K423-R485 PolarHBondContact O-NH2 2.92Å
424	T	84.6	Confident	83.8	Confident	0 Å²	0	33.8 Å²	33.8	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	135	178	-53.9	0	0	0	0	111.1	T385 L387 F417 I419 S420	T385-T424 CarbonylContact O-C 3.43Å; T385-T424 VanDerWaalsContact O-CA 3.26Å; T385-T424 WeakPolarHBondContact O-CA 3.1Å; L387-T424 HydrophobicContact CB-CG2 4.36Å; F417-T424 HydrophobicContact CB-CG2 3.77Å; F417-T424 HydrophobicContact CD1-CG2 3.98Å; F417-T424 HydrophobicContact CG-CG2 4.07Å; I419-T424 WeakPolarHBondContact CA-O 3.31Å; I419-T424 HydrophobicContact CD1-CG2 4.04Å; S420-T424 PolarHBondContact N-O 3.39Å; S420-T424 VanDerWaalsContact O-O 3.06Å
425	R	86.7	Confident	84.1	Confident	48 Å²	48	36.5 Å²	36.5	18%	0.181	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	142.5	168.8	-64.1	179.2	-179.4	-152.6	-3.8	108.6	T385 L387 P421 F441 G483	T385-R425 PolarHBondContact O-N 3.43Å; L387-R425 PolarHBondContact N-O 2.85Å; P421-R425 PolarHBondContact O-NE 2.82Å; P421-R425 PolarHBondContact O-NH2 2.58Å; R425-F441 HydrophobicContact CB-CD1 3.98Å; R425-G483 PolarHBondContact NH1-O 2.77Å; R425-G483 VanDerWaalsContact NH1-O 3.07Å
426	V	90.1	Very high	84.5	Confident	0 Å²	0	38.2 Å²	38.2	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	144.2	179.8	174.9	0	0	0	0	110.6	L387 F389 I414 I419 I428	L387-V426 HydrophobicContact CD2-CG2 4.41Å; L387-V426 CarbonylContact O-C 3.38Å; L387-V426 VanDerWaalsContact O-CA 3.24Å; L387-V426 WeakPolarHBondContact O-CA 3.18Å; F389-V426 HydrophobicContact CD2-CG1 4.3Å; F389-V426 HydrophobicContact CE2-CG1 4.43Å; I414-V426 HydrophobicContact CD1-CG1 3.95Å; I414-V426 HydrophobicContact CG1-CG1 4.44Å; I414-V426 HydrophobicContact CG1-CG2 4.29Å; I414-V426 HydrophobicContact CG2-CG2 4.23Å; I419-V426 HydrophobicContact CD1-CG2 3.75Å; V426-I428 HydrophobicContact CG1-CG1 4.11Å
427	A	90.1	Very high	85.2	Confident	2 Å²	2	37.9 Å²	37.9	2%	0.017	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	154	164.2	0	0	0	0	0	110.1	L387 M388 F389 L439 F441	L387-A427 PolarHBondContact O-N 2.85Å; M388-A427 VanDerWaalsContact CA-O 3.32Å; M388-A427 WeakPolarHBondContact CA-O 3.33Å; M388-A427 HydrophobicContact CB-CB 4.16Å; M388-A427 HydrophobicContact CG-CB 3.89Å; M388-A427 HydrophobicContact SD-CB 3.73Å; F389-A427 PolarHBondContact N-O 2.9Å; A427-L439 CarbonylContact C-O 3.57Å; A427-L439 WeakPolarHBondContact CA-O 3.48Å; A427-L439 VanDerWaalsContact CB-O 3.31Å; A427-L439 WeakPolarHBondContact CB-O 3.36Å; A427-F441 HydrophobicContact CB-CD1 3.69Å; A427-F441 HydrophobicContact CB-CD2 3.75Å; A427-F441 HydrophobicContact CB-CE1 3.69Å; A427-F441 HydrophobicContact CB-CE2 3.76Å; A427-F441 HydrophobicContact CB-CG 3.74Å; A427-F441 HydrophobicContact CB-CZ 3.75Å
428	I	92.5	Very high	85.7	Confident	0 Å²	0	39 Å²	39	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	119.9	-178.7	-54.8	179.1	0	0	0	108.8	F389 L391 V426 E438 L439 L454 I457	F389-I428 HydrophobicContact CB-CG1 4.48Å; F389-I428 HydrophobicContact CD2-CG1 4.48Å; L391-I428 HydrophobicContact CD1-CG2 3.42Å; L391-I428 VanDerWaalsContact CD1-CG2 3.42Å; L391-I428 HydrophobicContact CG-CG2 4.08Å; V426-I428 HydrophobicContact CG1-CG1 4.11Å; I428-E438 HydrophobicContact CG2-CB 4.45Å; I428-E438 PolarHBondContact O-N 3.01Å; I428-L439 HydrophobicContact CB-CB 3.91Å; I428-L439 HydrophobicContact CD1-CB 4.44Å; I428-L439 HydrophobicContact CD1-CD2 4.08Å; I428-L439 HydrophobicContact CG1-CB 4.09Å; I428-L439 HydrophobicContact CG1-CD2 4.25Å; I428-L439 PolarHBondContact N-O 3.44Å; I428-L439 PolarHBondContact O-N 2.92Å; I428-L454 HydrophobicContact CD1-CD2 3.46Å; I428-L454 VanDerWaalsContact CD1-CD2 3.46Å; I428-L454 HydrophobicContact CD1-CG 4.21Å; I428-I457 HydrophobicContact CD1-CD1 4.19Å; I428-I457 HydrophobicContact CG2-CD1 4.03Å
429	I	92.3	Very high	86.3	Confident	0 Å²	0	35.1 Å²	35.1	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	127.8	172.3	-60.5	175.7	0	0	0	107.2	M388 F389 L390 L391 I435 R436 H437 M473	M388-I429 HydrophobicContact SD-CD1 3.54Å; M388-I429 VanDerWaalsContact SD-CD1 3.54Å; M388-I429 HydrophobicContact SD-CG1 3.95Å; F389-I429 PolarHBondContact O-N 2.83Å; L390-I429 CarbonylContact C-O 3.19Å; L390-I429 WeakPolarHBondContact CA-O 3.41Å; L390-I429 HydrophobicContact CD1-CB 3.72Å; L390-I429 HydrophobicContact CD1-CG2 3.6Å; L391-I429 PolarHBondContact N-O 3.38Å; I429-I435 HydrophobicContact CG2-CG2 3.57Å; I429-R436 CarbonylContact C-O 3.34Å; I429-R436 WeakPolarHBondContact CA-O 3.3Å; I429-R436 WeakPolarHBondContact CG2-O 3.13Å; I429-H437 VanDerWaalsContact CD1-CE1 3.44Å; I429-H437 WeakPolarHBondContact CD1-CE1 2.99Å; I429-M473 HydrophobicContact CD1-CB 4.21Å; I429-M473 HydrophobicContact CD1-CG 4.38Å
430	Q	92.2	Very high	86.5	Confident	0 Å²	0	35.5 Å²	35.5	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	139.7	172.5	-166.2	-166.2	23.2	0	0	109.2	L391 F402 R436 E438 N458 L460	L391-Q430 CarbonylContact O-C 3.12Å; L391-Q430 VanDerWaalsContact O-CA 3.22Å; L391-Q430 WeakPolarHBondContact O-CA 3.3Å; F402-Q430 HydrophobicContact CE2-CG 4.24Å; F402-Q430 HydrophobicContact CZ-CG 4.08Å; Q430-R436 PolarHBondContact N-O 3.06Å; Q430-R436 PolarHBondContact O-N 3.3Å; Q430-E438 HydrophobicContact CB-CG 4.09Å; Q430-N458 PolarHBondContact NE2-O 2.74Å; Q430-N458 VanDerWaalsContact NE2-O 3.1Å; Q430-N458 PolarHBondContact OE1-O 3.29Å; Q430-N458 VanDerWaalsContact OE1-O 3.11Å; Q430-L460 HydrophobicContact CB-CD1 4.33Å; Q430-L460 HydrophobicContact CG-CD1 3.97Å; Q430-L460 HydrophobicContact CG-CG 4.45Å; Q430-L460 VanDerWaalsContact NE2-N 3.16Å
431	F	91.3	Very high	86.9	Confident	0 Å²	0	34 Å²	34	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	144.8	-178.7	74	-86.5	0	0	0	114.1	L390 L391 D392 G393 Q434 I435 T464 T466 A469	L390-F431 HydrophobicContact CD1-CD1 4.14Å; L390-F431 HydrophobicContact CG-CD1 3.89Å; L390-F431 HydrophobicContact CG-CE1 3.98Å; L391-F431 WeakPolarHBondContact O-CD1 3.41Å; L391-F431 PolarHBondContact O-N 3.24Å; D392-F431 HydrophobicContact CB-CE1 3.97Å; D392-F431 HydrophobicContact CB-CE2 4.36Å; D392-F431 HydrophobicContact CB-CZ 3.77Å; G393-F431 CarbonylContact C-O 3.46Å; G393-F431 WeakPolarHBondContact CA-O 3.44Å; G393-F431 PolarHBondContact N-O 3.34Å; F431-Q434 CarbonylContact C-O 2.91Å; F431-Q434 WeakPolarHBondContact CA-O 3.09Å; F431-I435 HydrophobicContact CB-CG1 4.23Å; F431-T464 HydrophobicContact CE2-CG2 4.16Å; F431-T466 HydrophobicContact CE2-CG2 4.41Å; F431-T466 WeakPolarHBondContact CE2-OG1 3.44Å; F431-T466 HydrophobicContact CZ-CG2 4.03Å; F431-A469 HydrophobicContact CB-CB 3.54Å; F431-A469 HydrophobicContact CD1-CB 3.78Å; F431-A469 HydrophobicContact CD2-CB 3.73Å; F431-A469 HydrophobicContact CE1-CB 4.43Å; F431-A469 HydrophobicContact CE2-CB 4.38Å; F431-A469 HydrophobicContact CG-CB 3.4Å
432	S	87.6	Confident	87	Confident	0 Å²	0	34.6 Å²	34.6	0%	0	17%	0.174	C	C	.	.	S	Bend	trans	-141.4	-137.2	169.5	69.3	0	0	0	0	107.9	G393 Q434 L463 K465	G393-S432 WeakPolarHBondContact O-CB 3.39Å; S432-Q434 PolarHBondContact N-O 2.91Å; S432-Q434 PolarHBondContact O-N 3.04Å; S432-Q434 PolarHBondContact OG-N 3.44Å; S432-Q434 PolarHBondContact OG-O 3.5Å; S432-L463 CarbonylContact C-O 3.18Å; S432-L463 WeakPolarHBondContact CA-O 3.41Å; S432-K465 WeakPolarHBondContact O-CB 3.46Å
433	D	82.5	Confident	86.8	Confident	58 Å²	58	33.8 Å²	33.8	31%	0.31	17%	0.166	S	C	.	.	S	Bend	trans	-57.9	-19.8	157.8	67	-56.5	0	0	0	113.1	G462 L463	D433-G462 WeakPolarHBondContact OD1-CA 3.36Å; D433-L463 PolarHBondContact N-O 2.86Å
434	Q	83.8	Confident	86.1	Confident	119 Å²	119	31.2 Å²	31.2	56%	0.556	16%	0.155	S	C	*	.	S	Bend	trans	-124.9	149.1	179.4	-72.8	163.6	70	0	0	110.5	F431 S432	F431-Q434 CarbonylContact C-O 2.91Å; F431-Q434 WeakPolarHBondContact CA-O 3.09Å; S432-Q434 PolarHBondContact N-O 2.91Å; S432-Q434 PolarHBondContact O-N 3.04Å; S432-Q434 PolarHBondContact OG-N 3.44Å; S432-Q434 PolarHBondContact OG-O 3.5Å
435	I	90.2	Very high	85.5	Confident	57 Å²	57	33.7 Å²	33.7	29%	0.292	17%	0.169	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	129.2	179.5	-59.5	162.1	0	0	0	108.6	I429 F431 N468 A469 D472	I429-I435 HydrophobicContact CG2-CG2 3.57Å; F431-I435 HydrophobicContact CB-CG1 4.23Å; I435-N468 HydrophobicContact CD1-CB 4.33Å; I435-A469 HydrophobicContact CD1-CB 4.5Å; I435-A469 HydrophobicContact CG1-CB 4.5Å; I435-D472 HydrophobicContact CD1-CB 3.92Å; I435-D472 HydrophobicContact CG2-CB 4.48Å
436	R	89.1	Confident	85	Confident	101 Å²	101	33 Å²	33	38%	0.381	17%	0.172	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	134.1	174.5	-73	-179.9	55.4	167.3	-9.3	110.4	I429 Q430 E438 L460	I429-R436 CarbonylContact C-O 3.34Å; I429-R436 WeakPolarHBondContact CA-O 3.3Å; I429-R436 WeakPolarHBondContact CG2-O 3.13Å; Q430-R436 PolarHBondContact N-O 3.06Å; Q430-R436 PolarHBondContact O-N 3.3Å; R436-E438 WeakPolarHBondContact CB-OE1 3.48Å; R436-E438 IonicContact CZ-OE1 3.67Å; R436-E438 IonicContact CZ-OE2 2.94Å; R436-E438 IonicContact NE-OE1 2.78Å; R436-E438 PolarHBondContact NE-OE1 2.93Å; R436-E438 IonicContact NE-OE2 3.5Å; R436-E438 IonicContact NH2-OE1 2.92Å; R436-E438 PolarHBondContact NH2-OE1 3.06Å; R436-E438 IonicContact NH2-OE2 3.49Å; R436-E438 PolarHBondContact NH2-OE2 3.43Å; R436-L460 HydrophobicContact CB-CD1 4.49Å; R436-L460 HydrophobicContact CG-CD1 4.24Å
437	H	88.6	Confident	84.6	Confident	35 Å²	35	35.4 Å²	35.4	16%	0.162	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	104.6	168.8	-69	-133.2	0	0	0	106.1	I429 D440 D472 R482	I429-H437 VanDerWaalsContact CD1-CE1 3.44Å; I429-H437 WeakPolarHBondContact CD1-CE1 2.99Å; H437-D440 IonicContact ND1-OD1 3.31Å; H437-D472 IonicContact CD2-OD2 2.83Å; H437-D472 IonicContact CE1-OD2 2.73Å; H437-D472 PolarHBondContact CE1-OD2 3.42Å; H437-D472 IonicContact NE2-OD2 3.2Å; H437-D472 PolarHBondContact NE2-OD2 2.9Å; H437-R482 PolarHBondContact CD2-NH2 2.82Å; H437-R482 VanDerWaalsContact CG-CZ 3.49Å; H437-R482 PolarHBondContact ND1-NE 3.47Å; H437-R482 PolarHBondContact ND1-NH2 2.79Å
438	E	87.5	Confident	84.2	Confident	34 Å²	34	39.5 Å²	39.5	16%	0.159	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	-28.7	-179.4	-62.2	-60.7	96.4	0	0	111.1	I428 Q430 R436 I457	I428-E438 HydrophobicContact CG2-CB 4.45Å; I428-E438 PolarHBondContact O-N 3.01Å; Q430-E438 HydrophobicContact CB-CG 4.09Å; R436-E438 WeakPolarHBondContact CB-OE1 3.48Å; R436-E438 IonicContact CZ-OE1 3.67Å; R436-E438 IonicContact CZ-OE2 2.94Å; R436-E438 IonicContact NE-OE1 2.78Å; R436-E438 PolarHBondContact NE-OE1 2.93Å; R436-E438 IonicContact NE-OE2 3.5Å; R436-E438 IonicContact NH2-OE1 2.92Å; R436-E438 PolarHBondContact NH2-OE1 3.06Å; R436-E438 IonicContact NH2-OE2 3.49Å; R436-E438 PolarHBondContact NH2-OE2 3.43Å; E438-I457 HydrophobicContact CB-CD1 3.77Å; E438-I457 HydrophobicContact CB-CG1 3.95Å; E438-I457 HydrophobicContact CG-CD1 4.22Å; E438-I457 HydrophobicContact CG-CG1 4.22Å; E438-I457 HydrophobicContact CG-CG2 3.9Å
439	L	88.2	Confident	83.5	Confident	2 Å²	2	42.9 Å²	42.9	1%	0.01	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	121.7	178	-165.5	56.9	0	0	0	112	A427 I428 Q443 S444 V450 S453	A427-L439 CarbonylContact C-O 3.57Å; A427-L439 WeakPolarHBondContact CA-O 3.48Å; A427-L439 VanDerWaalsContact CB-O 3.31Å; A427-L439 WeakPolarHBondContact CB-O 3.36Å; I428-L439 HydrophobicContact CB-CB 3.91Å; I428-L439 HydrophobicContact CD1-CB 4.44Å; I428-L439 HydrophobicContact CD1-CD2 4.08Å; I428-L439 HydrophobicContact CG1-CB 4.09Å; I428-L439 HydrophobicContact CG1-CD2 4.25Å; I428-L439 PolarHBondContact N-O 3.44Å; I428-L439 PolarHBondContact O-N 2.92Å; L439-Q443 HydrophobicContact CD1-CB 4.09Å; L439-S444 WeakPolarHBondContact CD2-OG 3.17Å; L439-V450 HydrophobicContact CD2-CB 4.5Å; L439-V450 HydrophobicContact CD2-CG1 3.95Å; L439-V450 HydrophobicContact CD2-CG2 4.43Å; L439-S453 WeakPolarHBondContact CD1-OG 3.26Å
440	D	87.9	Confident	83	Confident	24 Å²	24	42.9 Å²	42.9	13%	0.128	23%	0.225	C	C	.	.			trans	-92.8	146.5	174.5	-69.8	-14.2	0	0	0	111.2	H437 A442 Q443 R482	H437-D440 IonicContact ND1-OD1 3.31Å; D440-A442 PolarHBondContact O-N 2.95Å; D440-Q443 HydrophobicContact CB-CG 4.05Å; D440-Q443 PolarHBondContact O-N 3.29Å; D440-R482 WeakPolarHBondContact OD1-CD 3.44Å; D440-R482 IonicContact OD1-CZ 3.13Å; D440-R482 IonicContact OD1-NE 3.86Å; D440-R482 IonicContact OD1-NH1 2.7Å; D440-R482 PolarHBondContact OD1-NH1 3.36Å; D440-R482 WeakPolarHBondContact OD2-CD 3.42Å; D440-R482 IonicContact OD2-CZ 3.12Å; D440-R482 IonicContact OD2-NE 2.66Å; D440-R482 IonicContact OD2-NH1 2.74Å; D440-R482 PolarHBondContact OD2-NH1 2.72Å
441	F	87.2	Confident	82.6	Confident	0 Å²	0	46.4 Å²	46.4	0%	0	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-9.8	174.8	-66	-70.5	0	0	0	115.5	D386 L387 M388 R425 A427 F478 R482 G483 A484	D386-F441 HydrophobicContact CB-CD1 4.34Å; D386-F441 HydrophobicContact CB-CE1 3.71Å; D386-F441 HydrophobicContact CB-CZ 3.91Å; L387-F441 WeakPolarHBondContact O-CE1 3.15Å; M388-F441 HydrophobicContact CB-CE1 4.45Å; M388-F441 HydrophobicContact CB-CE2 4.5Å; M388-F441 HydrophobicContact CB-CZ 3.8Å; M388-F441 HydrophobicContact CE-CE2 3.9Å; M388-F441 HydrophobicContact CE-CZ 4.13Å; M388-F441 HydrophobicContact SD-CE2 4.12Å; M388-F441 HydrophobicContact SD-CZ 4.36Å; R425-F441 HydrophobicContact CB-CD1 3.98Å; A427-F441 HydrophobicContact CB-CD1 3.69Å; A427-F441 HydrophobicContact CB-CD2 3.75Å; A427-F441 HydrophobicContact CB-CE1 3.69Å; A427-F441 HydrophobicContact CB-CE2 3.76Å; A427-F441 HydrophobicContact CB-CG 3.74Å; A427-F441 HydrophobicContact CB-CZ 3.75Å; F441-F478 AromaticContact CE2-CD1 3.96Å; F441-F478 HydrophobicContact CE2-CD1 3.96Å; F441-F478 HydrophobicContact CE2-CE1 4.12Å; F441-F478 HydrophobicContact CZ-CD1 4.04Å; F441-F478 AromaticContact CZ-CE1 3.72Å; F441-F478 HydrophobicContact CZ-CE1 3.72Å; F441-F478 HydrophobicContact CZ-CZ 4.46Å; F441-R482 WeakPolarHBondContact CB-O 3.05Å; F441-R482 PolarHBondContact N-O 2.99Å; F441-R482 VanDerWaalsContact N-O 3.15Å; F441-G483 VanDerWaalsContact CB-C 3.48Å; F441-A484 HydrophobicContact CD2-CB 3.7Å; F441-A484 HydrophobicContact CE2-CB 3.87Å; F441-A484 HydrophobicContact CG-CB 4.49Å
442	A	77	Confident	82.1	Confident	63 Å²	63	53.2 Å²	53.2	52%	0.521	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.1	-13.1	176.3	0	0	0	0	0	114.4	D440 R482	D440-A442 PolarHBondContact O-N 2.95Å; A442-R482 PolarHBondContact N-O 3.41Å
443	Q	73.6	Confident	81.9	Confident	113 Å²	113	54.9 Å²	54.9	53%	0.528	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.2	-44.2	-170.2	-74.4	171.5	-38.8	0	0	113	L439 D440	L439-Q443 HydrophobicContact CD1-CB 4.09Å; D440-Q443 HydrophobicContact CB-CG 4.05Å; D440-Q443 PolarHBondContact O-N 3.29Å
444	S	66	Low	82.1	Confident	0 Å²	0	52.3 Å²	52.3	0%	0	27%	0.271	C	S	.	.			trans	-111.2	118.3	-178.5	54	0	0	0	0	111.4	L439	L439-S444 WeakPolarHBondContact CD2-OG 3.17Å
445	T	71	Confident	82	Confident	51 Å²	51	51.7 Å²	51.7	31%	0.313	27%	0.272	S	S	.	.			trans	-120.9	-3	-176.9	64.4	0	0	0	0	113.7	S420 P421 E449	S420-T445 VanDerWaalsContact CA-O 3.31Å; S420-T445 WeakPolarHBondContact CA-O 3.01Å; P421-T445 HydrophobicContact CB-CG2 4.26Å; P421-T445 WeakPolarHBondContact CD-O 3.5Å; T445-E449 WeakPolarHBondContact CA-OE2 3.16Å; T445-E449 PolarHBondContact N-OE2 2.87Å; T445-E449 PolarHBondContact OG1-OE2 2.98Å
446	S	76.1	Confident	81.6	Confident	35 Å²	35	56.4 Å²	56.4	25%	0.245	29%	0.292	C	S	.	.	S	Bend	trans	-131.5	157.9	172.5	61.3	0	0	0	0	110.6	T448 E449 V450	S446-T448 VanDerWaalsContact C-N 3.31Å; S446-T448 PolarHBondContact O-N 3.16Å; S446-T448 PolarHBondContact OG-OG1 2.91Å; S446-E449 PolarHBondContact N-OE2 2.64Å; S446-E449 PolarHBondContact O-N 3.25Å; S446-E449 VanDerWaalsContact OG-CG 3.29Å; S446-E449 WeakPolarHBondContact OG-CG 3.38Å; S446-E449 PolarHBondContact OG-OE2 3.42Å; S446-V450 PolarHBondContact O-N 3.24Å
447	M	82.1	Confident	81.5	Confident	49 Å²	49	52.6 Å²	52.6	24%	0.241	28%	0.279	C	S	.	.	H	α-helix	trans	-56.6	-43.1	179.7	-175	65.7	-175.8	0	0	112.3	I414 I419 E449 V450 E451	I414-M447 HydrophobicContact CG2-CE 4.14Å; I414-M447 HydrophobicContact CG2-SD 3.76Å; I419-M447 HydrophobicContact CG1-SD 4.08Å; M447-E449 VanDerWaalsContact C-N 3.34Å; M447-E449 PolarHBondContact O-N 2.84Å; M447-V450 WeakPolarHBondContact O-CA 3.21Å; M447-V450 WeakPolarHBondContact O-CB 3.2Å; M447-V450 PolarHBondContact O-N 3.04Å; M447-E451 HydrophobicContact CE-CG 3.98Å; M447-E451 HydrophobicContact CG-CG 4.41Å; M447-E451 PolarHBondContact O-N 3.3Å
448	T	80.8	Confident	81.2	Confident	88 Å²	88	55.9 Å²	55.9	54%	0.54	30%	0.298	S	S	.	.	H	α-helix	trans	-62.4	-36.8	-179.2	44.3	0	0	0	0	113.2	S446 V450 E451 E452	S446-T448 VanDerWaalsContact C-N 3.31Å; S446-T448 PolarHBondContact O-N 3.16Å; S446-T448 PolarHBondContact OG-OG1 2.91Å; T448-V450 VanDerWaalsContact C-N 3.3Å; T448-V450 PolarHBondContact O-N 2.92Å; T448-E451 PolarHBondContact O-N 3.05Å; T448-E452 WeakPolarHBondContact O-CG 3.4Å; T448-E452 PolarHBondContact O-N 3.28Å
449	E	77.9	Confident	81.1	Confident	72 Å²	72	56.8 Å²	56.8	34%	0.336	30%	0.3	S	S	.	.	H	α-helix	trans	-66.9	-32.9	174.7	-69.6	163.6	147.5	0	0	111.5	T445 S446 M447 S453	T445-E449 WeakPolarHBondContact CA-OE2 3.16Å; T445-E449 PolarHBondContact N-OE2 2.87Å; T445-E449 PolarHBondContact OG1-OE2 2.98Å; S446-E449 PolarHBondContact N-OE2 2.64Å; S446-E449 PolarHBondContact O-N 3.25Å; S446-E449 VanDerWaalsContact OG-CG 3.29Å; S446-E449 WeakPolarHBondContact OG-CG 3.38Å; S446-E449 PolarHBondContact OG-OE2 3.42Å; M447-E449 VanDerWaalsContact C-N 3.34Å; M447-E449 PolarHBondContact O-N 2.84Å; E449-S453 WeakPolarHBondContact O-CB 3.39Å; E449-S453 PolarHBondContact O-N 3.25Å; E449-S453 VanDerWaalsContact O-N 3.16Å; E449-S453 PolarHBondContact O-OG 2.92Å
450	V	82.7	Confident	80.8	Confident	0 Å²	0	57.7 Å²	57.7	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-71.5	-43	174.3	-174.1	0	0	0	0	110.8	I414 I419 L439 S446 M447 T448 S453 L454	I414-V450 HydrophobicContact CD1-CG1 3.96Å; I414-V450 HydrophobicContact CG2-CG1 4.07Å; I419-V450 HydrophobicContact CG2-CG2 4.1Å; L439-V450 HydrophobicContact CD2-CB 4.5Å; L439-V450 HydrophobicContact CD2-CG1 3.95Å; L439-V450 HydrophobicContact CD2-CG2 4.43Å; S446-V450 PolarHBondContact O-N 3.24Å; M447-V450 WeakPolarHBondContact O-CA 3.21Å; M447-V450 WeakPolarHBondContact O-CB 3.2Å; M447-V450 PolarHBondContact O-N 3.04Å; T448-V450 VanDerWaalsContact C-N 3.3Å; T448-V450 PolarHBondContact O-N 2.92Å; V450-S453 PolarHBondContact O-N 3.12Å; V450-L454 HydrophobicContact CG1-CD1 3.97Å; V450-L454 HydrophobicContact CG1-CG 4.28Å; V450-L454 WeakPolarHBondContact O-CB 3.47Å; V450-L454 VanDerWaalsContact O-CG 3.29Å; V450-L454 WeakPolarHBondContact O-CG 3.47Å; V450-L454 PolarHBondContact O-N 2.81Å
451	E	83.4	Confident	80.2	Confident	73 Å²	73	61.4 Å²	61.4	34%	0.341	33%	0.329	S	S	.	.	H	α-helix	trans	-65.8	-41.2	178.4	-70.2	-176	141.8	0	0	113.1	R411 M447 T448 L454 N455	R411-E451 HydrophobicContact CG-CG 4.37Å; M447-E451 HydrophobicContact CE-CG 3.98Å; M447-E451 HydrophobicContact CG-CG 4.41Å; M447-E451 PolarHBondContact O-N 3.3Å; T448-E451 PolarHBondContact O-N 3.05Å; E451-L454 PolarHBondContact O-N 2.66Å; E451-N455 PolarHBondContact O-N 3.04Å; E451-N455 PolarHBondContact O-ND2 3.15Å
452	E	81.5	Confident	80	Confident	144 Å²	144	62.7 Å²	62.7	67%	0.673	34%	0.342	S	S	*	.	H	α-helix	trans	-61.3	-46	172.1	-73.9	-175.4	161.2	0	0	110.6	T448 L454 N455 E456	T448-E452 WeakPolarHBondContact O-CG 3.4Å; T448-E452 PolarHBondContact O-N 3.28Å; E452-L454 PolarHBondContact O-N 3.04Å; E452-N455 PolarHBondContact O-N 3Å; E452-E456 PolarHBondContact O-N 2.77Å
453	S	82.9	Confident	80.3	Confident	35 Å²	35	64 Å²	64	25%	0.245	34%	0.34	C	S	.	.	H	α-helix	trans	-61.3	-43.8	177.9	-57	0	0	0	0	112.7	L439 E449 V450 N455 E456 I457	L439-S453 WeakPolarHBondContact CD1-OG 3.26Å; E449-S453 WeakPolarHBondContact O-CB 3.39Å; E449-S453 PolarHBondContact O-N 3.25Å; E449-S453 VanDerWaalsContact O-N 3.16Å; E449-S453 PolarHBondContact O-OG 2.92Å; V450-S453 PolarHBondContact O-N 3.12Å; S453-N455 PolarHBondContact O-N 3.17Å; S453-E456 PolarHBondContact O-N 2.85Å; S453-I457 WeakPolarHBondContact O-CG1 3.19Å; S453-I457 PolarHBondContact O-N 3.46Å
454	L	86.5	Confident	80.8	Confident	3 Å²	3	59.2 Å²	59.2	2%	0.016	32%	0.318	C	S	.	.	H	α-helix	trans	-59.2	-31.7	176.8	-78.5	168.2	0	0	0	112.7	M407 L410 R411 I414 I428 V450 E451 E452 E456 I457	M407-L454 HydrophobicContact SD-CD2 3.61Å; L410-L454 HydrophobicContact CB-CD2 3.91Å; L410-L454 HydrophobicContact CD1-CD2 4.08Å; L410-L454 HydrophobicContact CG-CD2 4.48Å; R411-L454 HydrophobicContact CG-CD1 4.02Å; I414-L454 HydrophobicContact CD1-CD1 4.19Å; I428-L454 HydrophobicContact CD1-CD2 3.46Å; I428-L454 VanDerWaalsContact CD1-CD2 3.46Å; I428-L454 HydrophobicContact CD1-CG 4.21Å; V450-L454 HydrophobicContact CG1-CD1 3.97Å; V450-L454 HydrophobicContact CG1-CG 4.28Å; V450-L454 WeakPolarHBondContact O-CB 3.47Å; V450-L454 VanDerWaalsContact O-CG 3.29Å; V450-L454 WeakPolarHBondContact O-CG 3.47Å; V450-L454 PolarHBondContact O-N 2.81Å; E451-L454 PolarHBondContact O-N 2.66Å; E452-L454 PolarHBondContact O-N 3.04Å; L454-E456 VanDerWaalsContact C-N 3.35Å; L454-I457 HydrophobicContact CD2-CD1 4.13Å
455	N	81.2	Confident	81.8	Confident	107 Å²	107	62.4 Å²	62.4	57%	0.572	33%	0.332	S	S	*	.	H	α-helix	trans	-77	-17.8	176.8	-71.2	-54.1	0	0	0	113.6	R411 E451 E452 S453	R411-N455 PolarHBondContact NH1-OD1 2.86Å; E451-N455 PolarHBondContact O-N 3.04Å; E451-N455 PolarHBondContact O-ND2 3.15Å; E452-N455 PolarHBondContact O-N 3Å; S453-N455 PolarHBondContact O-N 3.17Å
456	E	83.4	Confident	82.7	Confident	156 Å²	156	60 Å²	60	73%	0.729	32%	0.317	S	S	*	.	H	α-helix	trans	-91.4	-9.1	175.6	-64.6	-158.6	157.2	0	0	113.6	E452 S453 L454 N458	E452-E456 PolarHBondContact O-N 2.77Å; S453-E456 PolarHBondContact O-N 2.85Å; L454-E456 VanDerWaalsContact C-N 3.35Å; E456-N458 PolarHBondContact O-N 3.11Å; E456-N458 PolarHBondContact O-ND2 3Å
457	I	85.4	Confident	83.2	Confident	20 Å²	20	58.5 Å²	58.5	10%	0.103	31%	0.307	C	S	.	.			trans	-66.2	125.2	180	-55.2	-172.1	0	0	0	110.4	F402 M407 I428 E438 S453 L454	F402-I457 HydrophobicContact CE1-CG2 3.91Å; F402-I457 HydrophobicContact CZ-CG2 4.03Å; M407-I457 HydrophobicContact CE-CB 3.89Å; M407-I457 HydrophobicContact CE-CD1 3.77Å; M407-I457 HydrophobicContact CE-CG1 4.36Å; M407-I457 HydrophobicContact CE-CG2 3.64Å; M407-I457 HydrophobicContact SD-CB 4.39Å; M407-I457 HydrophobicContact SD-CD1 4.1Å; I428-I457 HydrophobicContact CD1-CD1 4.19Å; I428-I457 HydrophobicContact CG2-CD1 4.03Å; E438-I457 HydrophobicContact CB-CD1 3.77Å; E438-I457 HydrophobicContact CB-CG1 3.95Å; E438-I457 HydrophobicContact CG-CD1 4.22Å; E438-I457 HydrophobicContact CG-CG1 4.22Å; E438-I457 HydrophobicContact CG-CG2 3.9Å; S453-I457 WeakPolarHBondContact O-CG1 3.19Å; S453-I457 PolarHBondContact O-N 3.46Å; L454-I457 HydrophobicContact CD2-CD1 4.13Å
458	N	83.1	Confident	83.5	Confident	105 Å²	105	60.2 Å²	60.2	56%	0.561	32%	0.318	S	S	*	.			trans	-104.8	134.5	179.3	-79.9	-107.4	0	0	0	110.3	Q430 E456 L460	Q430-N458 PolarHBondContact NE2-O 2.74Å; Q430-N458 VanDerWaalsContact NE2-O 3.1Å; Q430-N458 PolarHBondContact OE1-O 3.29Å; Q430-N458 VanDerWaalsContact OE1-O 3.11Å; E456-N458 PolarHBondContact O-N 3.11Å; E456-N458 PolarHBondContact O-ND2 3Å; N458-L460 PolarHBondContact O-N 3.28Å
459	Y	86.4	Confident	83.9	Confident	52 Å²	52	56 Å²	56	20%	0.204	29%	0.292	C	S	.	.			trans	-56.6	126.5	175	174.9	-114.7	0	0	0	111.8	S394 G395 I397 G398 F402 T461	S394-Y459 PolarHBondContact O-OH 3.38Å; G395-Y459 PolarHBondContact O-OH 3.07Å; I397-Y459 HydrophobicContact CB-CE2 4.19Å; G398-Y459 VanDerWaalsContact CA-OH 3.3Å; G398-Y459 WeakPolarHBondContact CA-OH 3.16Å; G398-Y459 PolarHBondContact N-OH 3.03Å; F402-Y459 HydrophobicContact CB-CD2 3.56Å; F402-Y459 HydrophobicContact CB-CE2 4.13Å; F402-Y459 HydrophobicContact CB-CG 4.32Å; F402-Y459 HydrophobicContact CD1-CD2 4.1Å; F402-Y459 AromaticContact CD2-CD2 3.98Å; F402-Y459 HydrophobicContact CD2-CD2 3.98Å; F402-Y459 AromaticContact CG-CD2 3.61Å; F402-Y459 HydrophobicContact CG-CD2 3.61Å; F402-Y459 HydrophobicContact CG-CE2 4.44Å; F402-Y459 HydrophobicContact CG-CG 4.4Å; Y459-T461 HydrophobicContact CD1-CG2 4.03Å; Y459-T461 HydrophobicContact CE1-CG2 3.66Å
460	L	81.6	Confident	84.6	Confident	21 Å²	21	52.6 Å²	52.6	11%	0.11	28%	0.276	C	S	.	.			trans	-76.9	171.1	167.8	-82.3	173.5	0	0	0	110.8	G393 Q430 R436 N458	G393-L460 CarbonylContact O-C 3.51Å; G393-L460 WeakPolarHBondContact O-CB 3.16Å; Q430-L460 HydrophobicContact CB-CD1 4.33Å; Q430-L460 HydrophobicContact CG-CD1 3.97Å; Q430-L460 HydrophobicContact CG-CG 4.45Å; Q430-L460 VanDerWaalsContact NE2-N 3.16Å; R436-L460 HydrophobicContact CB-CD1 4.49Å; R436-L460 HydrophobicContact CG-CD1 4.24Å; N458-L460 PolarHBondContact O-N 3.28Å
461	T	74.8	Confident	85	Confident	102 Å²	102	56.1 Å²	56.1	63%	0.626	29%	0.292	S	S	*	.			trans	-144	118.6	173.1	57	0	0	0	0	109.1	Y459	Y459-T461 HydrophobicContact CD1-CG2 4.03Å; Y459-T461 HydrophobicContact CE1-CG2 3.66Å
462	G	81.7	Confident	85.3	Confident	27 Å²	27	55 Å²	55	28%	0.278	29%	0.288	S	S	.	.	S	Bend	trans	178.8	-151.2	-179.3	0	0	0	0	0	114.7	G395 D433	G395-G462 PolarHBondContact N-O 3.39Å; D433-G462 WeakPolarHBondContact OD1-CA 3.36Å
463	L	85.1	Confident	85.8	Confident	92 Å²	92	48.1 Å²	48.1	48%	0.482	26%	0.256	S	S	.	.			trans	-94.2	159.7	177.1	-65.8	175.7	0	0	0	111.1	S432 D433 K465 Q504	S432-L463 CarbonylContact C-O 3.18Å; S432-L463 WeakPolarHBondContact CA-O 3.41Å; D433-L463 PolarHBondContact N-O 2.86Å; L463-K465 PolarHBondContact O-N 3.09Å; L463-Q504 HydrophobicContact CB-CG 4.27Å
464	T	83.5	Confident	86	Confident	11 Å²	11	47.6 Å²	47.6	7%	0.067	25%	0.251	C	S	.	.			trans	-85.9	106.8	177	-51.6	0	0	0	0	110.9	D392 S394 F431 T466 S503 Q504	D392-T464 WeakPolarHBondContact OD2-CG2 3.44Å; S394-T464 VanDerWaalsContact CB-OG1 3.32Å; S394-T464 WeakPolarHBondContact CB-OG1 2.97Å; F431-T464 HydrophobicContact CE2-CG2 4.16Å; T464-T466 WeakPolarHBondContact CG2-OG1 3.24Å; T464-S503 PolarHBondContact O-OG 3.06Å; T464-Q504 VanDerWaalsContact O-CB 3.26Å; T464-Q504 WeakPolarHBondContact O-CB 3.43Å; T464-Q504 WeakPolarHBondContact O-CG 3.39Å; T464-Q504 PolarHBondContact O-N 3.31Å
465	K	87.5	Confident	85.9	Confident	68 Å²	68	54.6 Å²	54.6	30%	0.296	28%	0.283	S	S	.	.			trans	-118.5	60.2	-179	-72.8	-171	-174.9	166.4	0	113.5	S432 L463 G467 N468 A469 D505	S432-K465 WeakPolarHBondContact O-CB 3.46Å; L463-K465 PolarHBondContact O-N 3.09Å; K465-G467 VanDerWaalsContact C-N 3.28Å; K465-G467 PolarHBondContact O-N 2.86Å; K465-N468 HydrophobicContact CB-CB 4.5Å; K465-N468 PolarHBondContact O-N 2.86Å; K465-A469 WeakPolarHBondContact O-CB 3.37Å; K465-A469 PolarHBondContact O-N 2.82Å; K465-D505 VanDerWaalsContact CB-OD2 3.27Å; K465-D505 WeakPolarHBondContact CB-OD2 3.37Å
466	T	88.3	Confident	86.2	Confident	0 Å²	0	51.3 Å²	51.3	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-60.4	-34.7	-172.3	-41.7	0	0	0	0	112.5	F431 T464 A469 M470 V497 S503 V507 I538	F431-T466 HydrophobicContact CE2-CG2 4.41Å; F431-T466 WeakPolarHBondContact CE2-OG1 3.44Å; F431-T466 HydrophobicContact CZ-CG2 4.03Å; T464-T466 WeakPolarHBondContact CG2-OG1 3.24Å; T466-A469 PolarHBondContact O-N 2.03Å; T466-M470 WeakPolarHBondContact O-CB 3.4Å; T466-M470 VanDerWaalsContact O-CG 3.29Å; T466-M470 WeakPolarHBondContact O-CG 3.19Å; T466-M470 PolarHBondContact O-N 2.92Å; T466-V497 HydrophobicContact CG2-CG1 4.07Å; T466-S503 PolarHBondContact N-OG 3.44Å; T466-V507 HydrophobicContact CG2-CG1 4.21Å; T466-I538 HydrophobicContact CG2-CD1 3.9Å
467	G	87.5	Confident	86.2	Confident	3 Å²	3	44 Å²	44	3%	0.031	23%	0.233	C	C	.	.	H	α-helix	trans	-72.4	-40.2	-178.9	0	0	0	0	0	113.3	K465 H471 D505 S510	K465-G467 VanDerWaalsContact C-N 3.28Å; K465-G467 PolarHBondContact O-N 2.86Å; G467-H471 PolarHBondContact O-N 3.5Å; G467-H471 VanDerWaalsContact O-N 3.17Å; G467-D505 WeakPolarHBondContact CA-OD1 3.41Å; G467-D505 PolarHBondContact N-OD1 3.09Å; G467-S510 WeakPolarHBondContact O-CB 3.48Å; G467-S510 PolarHBondContact O-OG 3.27Å
468	N	87.6	Confident	86.4	Confident	86 Å²	86	43.4 Å²	43.4	46%	0.46	23%	0.23	S	C	.	.	H	α-helix	trans	-67.5	-40.4	168.9	-85	-69.7	0	0	0	111.5	I435 K465 M470 H471 D472 D505	I435-N468 HydrophobicContact CD1-CB 4.33Å; K465-N468 HydrophobicContact CB-CB 4.5Å; K465-N468 PolarHBondContact O-N 2.86Å; N468-M470 PolarHBondContact O-N 2.8Å; N468-H471 WeakPolarHBondContact O-CB 3.08Å; N468-H471 PolarHBondContact O-N 3.32Å; N468-H471 VanDerWaalsContact O-N 3.13Å; N468-D472 PolarHBondContact O-N 3.43Å; N468-D505 PolarHBondContact N-OD1 3.45Å; N468-D505 PolarHBondContact N-OD2 3.07Å; N468-D505 PolarHBondContact ND2-OD2 3.45Å
469	A	90.8	Very high	86.4	Confident	0 Å²	0	39.6 Å²	39.6	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-60.6	-44.5	178.1	0	0	0	0	0	112.1	L390 F431 I435 K465 T466 H471 D472 M473	L390-A469 HydrophobicContact CD1-CB 4.05Å; L390-A469 HydrophobicContact CD2-CB 4.07Å; L390-A469 HydrophobicContact CG-CB 4.32Å; F431-A469 HydrophobicContact CB-CB 3.54Å; F431-A469 HydrophobicContact CD1-CB 3.78Å; F431-A469 HydrophobicContact CD2-CB 3.73Å; F431-A469 HydrophobicContact CE1-CB 4.43Å; F431-A469 HydrophobicContact CE2-CB 4.38Å; F431-A469 HydrophobicContact CG-CB 3.4Å; I435-A469 HydrophobicContact CD1-CB 4.5Å; I435-A469 HydrophobicContact CG1-CB 4.5Å; K465-A469 WeakPolarHBondContact O-CB 3.37Å; K465-A469 PolarHBondContact O-N 2.82Å; T466-A469 PolarHBondContact O-N 2.03Å; A469-H471 VanDerWaalsContact C-N 3.33Å; A469-H471 PolarHBondContact O-N 2.76Å; A469-D472 PolarHBondContact O-N 2.89Å; A469-M473 WeakPolarHBondContact O-CB 3.34Å; A469-M473 PolarHBondContact O-N 3.04Å
470	M	92.3	Very high	86.2	Confident	0 Å²	0	41.9 Å²	41.9	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-65.7	-31.5	173.5	-73	-174.4	82.8	0	0	113.2	L390 T466 N468 L474 A511 A514 V521 I538	L390-M470 HydrophobicContact CD2-CB 4.42Å; L390-M470 HydrophobicContact CD2-CG 3.66Å; T466-M470 WeakPolarHBondContact O-CB 3.4Å; T466-M470 VanDerWaalsContact O-CG 3.29Å; T466-M470 WeakPolarHBondContact O-CG 3.19Å; T466-M470 PolarHBondContact O-N 2.92Å; N468-M470 PolarHBondContact O-N 2.8Å; M470-L474 WeakPolarHBondContact O-CG 3.08Å; M470-L474 PolarHBondContact O-N 2.87Å; M470-A511 HydrophobicContact CE-CB 3.84Å; M470-A511 HydrophobicContact SD-CB 4.25Å; M470-A514 HydrophobicContact CE-CB 4.38Å; M470-V521 HydrophobicContact CE-CG1 4.19Å; M470-V521 HydrophobicContact CE-CG2 4.47Å; M470-I538 HydrophobicContact CE-CG2 3.86Å; M470-I538 HydrophobicContact SD-CB 4.31Å; M470-I538 HydrophobicContact SD-CG1 3.87Å; M470-I538 HydrophobicContact SD-CG2 3.83Å
471	H	89.8	Confident	86	Confident	74 Å²	74	50.4 Å²	50.4	34%	0.343	27%	0.268	S	S	.	.	H	α-helix	trans	-68.1	-45.9	176.7	-168.5	61.1	0	0	0	111.3	G467 N468 A469 L474 E475	G467-H471 PolarHBondContact O-N 3.5Å; G467-H471 VanDerWaalsContact O-N 3.17Å; N468-H471 WeakPolarHBondContact O-CB 3.08Å; N468-H471 PolarHBondContact O-N 3.32Å; N468-H471 VanDerWaalsContact O-N 3.13Å; A469-H471 VanDerWaalsContact C-N 3.33Å; A469-H471 PolarHBondContact O-N 2.76Å; H471-L474 PolarHBondContact O-N 2.92Å; H471-L474 VanDerWaalsContact O-N 3.12Å; H471-E475 PolarHBondContact O-N 2.8Å
472	D	90.8	Very high	86.3	Confident	49 Å²	49	48.8 Å²	48.8	26%	0.262	25%	0.25	S	C	.	.	H	α-helix	trans	-68.7	-35.7	177.8	-163.9	95	0	0	0	111.9	I435 H437 N468 A469 L474 V476 G477	I435-D472 HydrophobicContact CD1-CB 3.92Å; I435-D472 HydrophobicContact CG2-CB 4.48Å; H437-D472 IonicContact CD2-OD2 2.83Å; H437-D472 IonicContact CE1-OD2 2.73Å; H437-D472 PolarHBondContact CE1-OD2 3.42Å; H437-D472 IonicContact NE2-OD2 3.2Å; H437-D472 PolarHBondContact NE2-OD2 2.9Å; N468-D472 PolarHBondContact O-N 3.43Å; A469-D472 PolarHBondContact O-N 2.89Å; D472-L474 PolarHBondContact O-N 3.19Å; D472-L474 VanDerWaalsContact O-N 3.16Å; D472-V476 WeakPolarHBondContact O-CA 3.26Å; D472-V476 WeakPolarHBondContact O-CB 3.41Å; D472-V476 PolarHBondContact O-N 3.17Å; D472-G477 PolarHBondContact O-N 2.03Å
473	M	91.8	Very high	86.3	Confident	0 Å²	0	48.1 Å²	48.1	0%	0	24%	0.243	C	C	.	.	I	π-helix	trans	-52.8	-33.6	168.5	-175.7	-165	69	0	0	112.6	M388 L390 I429 A469 G477 F478 A495 A514	M388-M473 HydrophobicContact CE-CG 3.43Å; M388-M473 VanDerWaalsContact CE-CG 3.43Å; M388-M473 HydrophobicContact CE-SD 4.46Å; M388-M473 HydrophobicContact SD-CG 4.18Å; L390-M473 HydrophobicContact CB-SD 4.43Å; L390-M473 HydrophobicContact CD1-CB 4.41Å; L390-M473 HydrophobicContact CD2-SD 4.13Å; I429-M473 HydrophobicContact CD1-CB 4.21Å; I429-M473 HydrophobicContact CD1-CG 4.38Å; A469-M473 WeakPolarHBondContact O-CB 3.34Å; A469-M473 PolarHBondContact O-N 3.04Å; M473-G477 CarbonylContact O-C 2.98Å; M473-G477 VanDerWaalsContact O-CA 3.29Å; M473-G477 WeakPolarHBondContact O-CA 3.38Å; M473-G477 PolarHBondContact O-N 2.04Å; M473-F478 HydrophobicContact CE-CE2 4.29Å; M473-F478 HydrophobicContact CG-CD2 4.18Å; M473-F478 HydrophobicContact CG-CE2 4.1Å; M473-F478 WeakPolarHBondContact O-CD2 3.15Å; M473-F478 PolarHBondContact O-N 3.02Å; M473-F478 HydrophobicContact SD-CE2 4.19Å; M473-A495 HydrophobicContact CE-CB 4.17Å; M473-A495 HydrophobicContact SD-CB 3.73Å; M473-A514 HydrophobicContact CE-CB 4.42Å
474	L	88	Confident	86.1	Confident	24 Å²	24	44 Å²	44	13%	0.126	22%	0.222	C	C	.	.	I	π-helix	trans	-88	-53.8	179.8	-64.8	171	0	0	0	113.8	M470 H471 D472 V476 F478 S510 E513 A514 V519	M470-L474 WeakPolarHBondContact O-CG 3.08Å; M470-L474 PolarHBondContact O-N 2.87Å; H471-L474 PolarHBondContact O-N 2.92Å; H471-L474 VanDerWaalsContact O-N 3.12Å; D472-L474 PolarHBondContact O-N 3.19Å; D472-L474 VanDerWaalsContact O-N 3.16Å; L474-V476 VanDerWaalsContact C-N 3.32Å; L474-V476 PolarHBondContact O-N 2.68Å; L474-F478 HydrophobicContact CD2-CD2 4.35Å; L474-S510 WeakPolarHBondContact CD1-O 3.19Å; L474-E513 HydrophobicContact CD1-CB 3.91Å; L474-E513 HydrophobicContact CD1-CG 4.1Å; L474-A514 HydrophobicContact CD1-CB 3.87Å; L474-A514 HydrophobicContact CD2-CB 3.83Å; L474-A514 HydrophobicContact CG-CB 4.29Å; L474-V519 HydrophobicContact CD2-CG2 4Å
475	E	84.4	Confident	86.1	Confident	149 Å²	149	44.7 Å²	44.7	70%	0.696	22%	0.223	S	C	*	.	I	π-helix	trans	-65	-38.1	-179.9	-83.1	-128.3	133.6	0	0	111.9	H471	H471-E475 PolarHBondContact O-N 2.8Å
476	V	86	Confident	85.5	Confident	39 Å²	39	45.2 Å²	45.2	24%	0.236	23%	0.233	C	C	.	.	I	π-helix	trans	-107.5	-61.5	-172	-172.7	0	0	0	0	110.5	D472 L474 S479 R482	D472-V476 WeakPolarHBondContact O-CA 3.26Å; D472-V476 WeakPolarHBondContact O-CB 3.41Å; D472-V476 PolarHBondContact O-N 3.17Å; L474-V476 VanDerWaalsContact C-N 3.32Å; L474-V476 PolarHBondContact O-N 2.68Å; V476-S479 WeakPolarHBondContact O-CB 3.22Å; V476-S479 PolarHBondContact O-N 3.49Å; V476-S479 VanDerWaalsContact O-N 3.08Å; V476-S479 PolarHBondContact O-OG 3.18Å; V476-R482 HydrophobicContact CG1-CG 4Å; V476-R482 VanDerWaalsContact CG1-NE 3.3Å; V476-R482 WeakPolarHBondContact O-CG 3.44Å
477	G	85.1	Confident	84.4	Confident	2 Å²	2	49.3 Å²	49.3	2%	0.021	26%	0.255	C	S	.	.	I	π-helix	trans	-56.6	-58.2	-171.2	0	0	0	0	0	114.1	D472 M473 S479	D472-G477 PolarHBondContact O-N 2.03Å; M473-G477 CarbonylContact O-C 2.98Å; M473-G477 VanDerWaalsContact O-CA 3.29Å; M473-G477 WeakPolarHBondContact O-CA 3.38Å; M473-G477 PolarHBondContact O-N 2.04Å; G477-S479 PolarHBondContact O-N 2.8Å; G477-S479 VanDerWaalsContact O-N 3.11Å
478	F	87.9	Confident	83.1	Confident	7 Å²	7	53.3 Å²	53.3	3%	0.031	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.1	13.8	177	-78.5	-66.2	0	0	0	114.6	D386 M388 F441 M473 L474 A484 R493 A495 V519	D386-F478 HydrophobicContact CB-CE1 4.46Å; M388-F478 HydrophobicContact CB-CZ 4.08Å; M388-F478 HydrophobicContact CE-CD1 3.99Å; M388-F478 HydrophobicContact CE-CD2 3.27Å; M388-F478 HydrophobicContact CE-CE1 3.95Å; M388-F478 HydrophobicContact CE-CE2 3.22Å; M388-F478 HydrophobicContact CE-CG 3.66Å; M388-F478 HydrophobicContact CE-CZ 3.58Å; F441-F478 AromaticContact CE2-CD1 3.96Å; F441-F478 HydrophobicContact CE2-CD1 3.96Å; F441-F478 HydrophobicContact CE2-CE1 4.12Å; F441-F478 HydrophobicContact CZ-CD1 4.04Å; F441-F478 AromaticContact CZ-CE1 3.72Å; F441-F478 HydrophobicContact CZ-CE1 3.72Å; F441-F478 HydrophobicContact CZ-CZ 4.46Å; M473-F478 HydrophobicContact CE-CE2 4.29Å; M473-F478 HydrophobicContact CG-CD2 4.18Å; M473-F478 HydrophobicContact CG-CE2 4.1Å; M473-F478 WeakPolarHBondContact O-CD2 3.15Å; M473-F478 PolarHBondContact O-N 3.02Å; M473-F478 HydrophobicContact SD-CE2 4.19Å; L474-F478 HydrophobicContact CD2-CD2 4.35Å; F478-A484 HydrophobicContact CD1-CB 4.46Å; F478-A484 WeakPolarHBondContact O-CB 3.43Å; F478-R493 HydrophobicContact CD1-CB 4.39Å; F478-R493 HydrophobicContact CD1-CG 4.15Å; F478-R493 HydrophobicContact CE1-CB 3.87Å; F478-R493 HydrophobicContact CE1-CG 4.04Å; F478-R493 HydrophobicContact CZ-CB 4.37Å; F478-R493 PolarHBondContact O-NH2 3.17Å; F478-A495 HydrophobicContact CE2-CB 4.18Å; F478-A495 HydrophobicContact CZ-CB 4.32Å; F478-V519 HydrophobicContact CD2-CG1 4.36Å; F478-V519 HydrophobicContact CD2-CG2 3.77Å; F478-V519 HydrophobicContact CE2-CB 4.31Å; F478-V519 HydrophobicContact CE2-CG1 3.51Å; F478-V519 HydrophobicContact CE2-CG2 3.74Å; F478-V519 HydrophobicContact CG-CG2 4.26Å; F478-V519 HydrophobicContact CZ-CG1 3.75Å; F478-V519 HydrophobicContact CZ-CG2 4.21Å
479	S	84.1	Confident	81.8	Confident	25 Å²	25	52.2 Å²	52.2	18%	0.175	30%	0.295	C	S	.	.	S	Bend	trans	-77.9	146.1	175.3	81.1	0	0	0	0	112.2	V476 G477 K481 R482 G483 A484	V476-S479 WeakPolarHBondContact O-CB 3.22Å; V476-S479 PolarHBondContact O-N 3.49Å; V476-S479 VanDerWaalsContact O-N 3.08Å; V476-S479 PolarHBondContact O-OG 3.18Å; G477-S479 PolarHBondContact O-N 2.8Å; G477-S479 VanDerWaalsContact O-N 3.11Å; S479-K481 PolarHBondContact O-N 2.75Å; S479-K481 VanDerWaalsContact O-N 3.08Å; S479-K481 PolarHBondContact OG-N 3.26Å; S479-R482 PolarHBondContact O-N 2.66Å; S479-R482 PolarHBondContact OG-N 2.05Å; S479-G483 PolarHBondContact O-N 3.21Å; S479-A484 PolarHBondContact O-N 2.95Å
480	T	81.2	Confident	80.7	Confident	101 Å²	101	55 Å²	55	62%	0.62	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.6	-9.8	174.1	54.5	0	0	0	0	113.5	A484	T480-A484 WeakPolarHBondContact CA-O 3.18Å
481	K	77.9	Confident	79.9	Confident	200 Å²	200	55.8 Å²	55.8	87%	0.87	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.8	-32.2	171.3	-65.1	176.5	-177.1	167.2	0	112.5	S479 G483	S479-K481 PolarHBondContact O-N 2.75Å; S479-K481 VanDerWaalsContact O-N 3.08Å; S479-K481 PolarHBondContact OG-N 3.26Å; K481-G483 VanDerWaalsContact C-N 3.33Å
482	R	82.2	Confident	79.4	Confident	68 Å²	68	57 Å²	57	26%	0.257	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.6	5.1	177.5	-71.7	-80.7	-162.5	166.2	15.2	112.8	H437 D440 F441 A442 V476 S479	H437-R482 PolarHBondContact CD2-NH2 2.82Å; H437-R482 VanDerWaalsContact CG-CZ 3.49Å; H437-R482 PolarHBondContact ND1-NE 3.47Å; H437-R482 PolarHBondContact ND1-NH2 2.79Å; D440-R482 WeakPolarHBondContact OD1-CD 3.44Å; D440-R482 IonicContact OD1-CZ 3.13Å; D440-R482 IonicContact OD1-NE 3.86Å; D440-R482 IonicContact OD1-NH1 2.7Å; D440-R482 PolarHBondContact OD1-NH1 3.36Å; D440-R482 WeakPolarHBondContact OD2-CD 3.42Å; D440-R482 IonicContact OD2-CZ 3.12Å; D440-R482 IonicContact OD2-NE 2.66Å; D440-R482 IonicContact OD2-NH1 2.74Å; D440-R482 PolarHBondContact OD2-NH1 2.72Å; F441-R482 WeakPolarHBondContact CB-O 3.05Å; F441-R482 PolarHBondContact N-O 2.99Å; F441-R482 VanDerWaalsContact N-O 3.15Å; A442-R482 PolarHBondContact N-O 3.41Å; V476-R482 HydrophobicContact CG1-CG 4Å; V476-R482 VanDerWaalsContact CG1-NE 3.3Å; V476-R482 WeakPolarHBondContact O-CG 3.44Å; S479-R482 PolarHBondContact O-N 2.66Å; S479-R482 PolarHBondContact OG-N 2.05Å
483	G	80	Confident	79.3	Confident	13 Å²	13	55.7 Å²	55.7	13%	0.134	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	98.9	-5.4	173.7	0	0	0	0	0	116.1	R425 F441 S479 K481	R425-G483 PolarHBondContact NH1-O 2.77Å; R425-G483 VanDerWaalsContact NH1-O 3.07Å; F441-G483 VanDerWaalsContact CB-C 3.48Å; S479-G483 PolarHBondContact O-N 3.21Å; K481-G483 VanDerWaalsContact C-N 3.33Å
484	A	81.7	Confident	79.1	Confident	4 Å²	4	55.9 Å²	55.9	3%	0.033	33%	0.327	C	S	.	.	P	Polyproline II helix	trans	-61.8	141	175.4	0	0	0	0	0	111.1	F441 F478 S479 T480	F441-A484 HydrophobicContact CD2-CB 3.7Å; F441-A484 HydrophobicContact CE2-CB 3.87Å; F441-A484 HydrophobicContact CG-CB 4.49Å; F478-A484 HydrophobicContact CD1-CB 4.46Å; F478-A484 WeakPolarHBondContact O-CB 3.43Å; S479-A484 PolarHBondContact O-N 2.95Å; T480-A484 WeakPolarHBondContact CA-O 3.18Å
485	R	82.7	Confident	79.2	Confident	27 Å²	27	54.7 Å²	54.7	10%	0.102	32%	0.321	C	S	.	.	P	Polyproline II helix	trans	-81.1	150.1	-178.3	-70	172.4	-76.7	-172.1	-8.1	110.7	T385 D386 N422 K423 V491 R493	T385-R485 PolarHBondContact O-NH2 3.1Å; D386-R485 IonicContact OD1-CZ 2.75Å; D386-R485 IonicContact OD1-NE 3.91Å; D386-R485 PolarHBondContact OD1-NE 3Å; D386-R485 IonicContact OD1-NH2 2.64Å; D386-R485 PolarHBondContact OD1-NH2 3.02Å; D386-R485 WeakPolarHBondContact OD2-CB 3.43Å; D386-R485 PolarHBondContact OD2-N 2.98Å; D386-R485 IonicContact OD2-NE 2.77Å; N422-R485 PolarHBondContact O-NH1 2.63Å; K423-R485 VanDerWaalsContact O-CZ 3.27Å; K423-R485 PolarHBondContact O-NH1 3.12Å; K423-R485 PolarHBondContact O-NH2 2.92Å; R485-V491 HydrophobicContact CB-CB 4.3Å; R485-V491 HydrophobicContact CB-CG1 4.14Å; R485-V491 HydrophobicContact CB-CG2 3.98Å; R485-R493 PolarHBondContact O-NH2 3.07Å
486	P	75.1	Confident	79.6	Confident	78 Å²	78	47.6 Å²	47.6	51%	0.506	29%	0.288	S	S	.	.	P	Polyproline II helix	trans	-73.5	138.1	-176.7	29.1	-34.4	0	0	0	111.7	G488 S489	P486-G488 PolarHBondContact O-N 2.95Å; P486-S489 WeakPolarHBondContact O-CB 3.08Å; P486-S489 PolarHBondContact O-N 3.05Å; P486-S489 VanDerWaalsContact O-N 3.09Å; P486-S489 PolarHBondContact O-OG 3.06Å
487	L	64.7	Low	79.9	Confident	87 Å²	87	45.8 Å²	45.8	46%	0.455	28%	0.276	S	S	.	.	G	3₁₀ helix	trans	-48.4	-31.8	-175.7	-84.1	157.4	0	0	0	115.6	S489 A518	L487-S489 PolarHBondContact O-N 2.96Å; L487-A518 HydrophobicContact CD2-CB 3.95Å
488	G	60.7	Low	80.2	Confident	87 Å²	87	45.8 Å²	45.8	90%	0.897	28%	0.276	S	S	*	.	G	3₁₀ helix	trans	-77.4	10.1	-179.7	0	0	0	0	0	116.1	P486	P486-G488 PolarHBondContact O-N 2.95Å
489	S	61.3	Low	80.2	Confident	63 Å²	63	45.7 Å²	45.7	44%	0.441	28%	0.276	S	S	.	.	G	3₁₀ helix	trans	-104.2	7.2	-172.5	59.9	0	0	0	0	115.7	P486 L487 V491	P486-S489 WeakPolarHBondContact O-CB 3.08Å; P486-S489 PolarHBondContact O-N 3.05Å; P486-S489 VanDerWaalsContact O-N 3.09Å; P486-S489 PolarHBondContact O-OG 3.06Å; L487-S489 PolarHBondContact O-N 2.96Å; S489-V491 VanDerWaalsContact C-N 3.29Å; S489-V491 VanDerWaalsContact OG-CG2 3.31Å; S489-V491 WeakPolarHBondContact OG-CG2 3.48Å
490	G	67.6	Low	80.2	Confident	59 Å²	59	44.8 Å²	44.8	61%	0.608	27%	0.269	S	S	*	.	S	Bend	trans	69.7	27.7	-175.8	0	0	0	0	0	113.1
491	V	75.9	Confident	80.2	Confident	16 Å²	16	40.4 Å²	40.4	10%	0.097	24%	0.244	C	C	.	.			trans	-100.5	124.2	177.3	174.4	0	0	0	0	109	P384 D386 R485 S489	P384-V491 HydrophobicContact CB-CG2 3.8Å; P384-V491 VanDerWaalsContact O-CA 3.26Å; P384-V491 WeakPolarHBondContact O-CA 3.12Å; P384-V491 WeakPolarHBondContact O-CG1 3.1Å; D386-V491 HydrophobicContact CB-CG1 4.3Å; R485-V491 HydrophobicContact CB-CB 4.3Å; R485-V491 HydrophobicContact CB-CG1 4.14Å; R485-V491 HydrophobicContact CB-CG2 3.98Å; S489-V491 VanDerWaalsContact C-N 3.29Å; S489-V491 VanDerWaalsContact OG-CG2 3.31Å; S489-V491 WeakPolarHBondContact OG-CG2 3.48Å
492	H	79.3	Confident	80.4	Confident	98 Å²	98	39 Å²	39	45%	0.454	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	136.7	173.9	-73	-90.1	0	0	0	110.4	P384 T385 D386	P384-H492 PolarHBondContact O-N 3.41Å; T385-H492 CarbonylContact C-O 3.29Å; T385-H492 WeakPolarHBondContact CA-O 3.42Å; T385-H492 HydrophobicContact CG2-CB 4.4Å; D386-H492 PolarHBondContact N-O 2.98Å
493	R	86.7	Confident	80.6	Confident	23 Å²	23	36.6 Å²	36.6	9%	0.087	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	119.6	175.9	-71.6	175.1	167.1	-147.8	-15.7	108.8	D386 F478 R485 V519 L520	D386-R493 HydrophobicContact CB-CG 4.44Å; D386-R493 WeakPolarHBondContact O-CA 3.43Å; F478-R493 HydrophobicContact CD1-CB 4.39Å; F478-R493 HydrophobicContact CD1-CG 4.15Å; F478-R493 HydrophobicContact CE1-CB 3.87Å; F478-R493 HydrophobicContact CE1-CG 4.04Å; F478-R493 HydrophobicContact CZ-CB 4.37Å; F478-R493 PolarHBondContact O-NH2 3.17Å; R485-R493 PolarHBondContact O-NH2 3.07Å; R493-V519 HydrophobicContact CB-CG2 4.34Å; R493-L520 PolarHBondContact O-N 3.13Å
494	V	88.8	Confident	80.7	Confident	3 Å²	3	42.3 Å²	42.3	2%	0.018	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	132.7	-177.5	-179.8	0	0	0	0	109	T385 D386 L387 M388 I496 L520 F522 A566	T385-V494 HydrophobicContact CG2-CG2 3.99Å; D386-V494 PolarHBondContact O-N 3.12Å; L387-V494 CarbonylContact C-O 2.78Å; L387-V494 WeakPolarHBondContact CA-O 3.2Å; L387-V494 HydrophobicContact CD1-CB 3.88Å; L387-V494 HydrophobicContact CD1-CG1 3.63Å; M388-V494 PolarHBondContact N-O 3.21Å; V494-I496 HydrophobicContact CG1-CG1 4.39Å; V494-L520 WeakPolarHBondContact CA-O 3.35Å; V494-F522 HydrophobicContact CG1-CD2 3.71Å; V494-F522 HydrophobicContact CG1-CE2 3.69Å; V494-A566 HydrophobicContact CG1-CB 4.35Å
495	A	90.8	Very high	81	Confident	0 Å²	0	43.8 Å²	43.8	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	126.9	172.3	0	0	0	0	0	109.6	M388 M473 F478 V519 L520 V521 F522	M388-A495 CarbonylContact O-C 2.82Å; M388-A495 VanDerWaalsContact O-CA 3.3Å; M388-A495 WeakPolarHBondContact O-CA 3.25Å; M473-A495 HydrophobicContact CE-CB 4.17Å; M473-A495 HydrophobicContact SD-CB 3.73Å; F478-A495 HydrophobicContact CE2-CB 4.18Å; F478-A495 HydrophobicContact CZ-CB 4.32Å; A495-V519 HydrophobicContact CB-CG1 3.61Å; A495-L520 PolarHBondContact N-O 2.66Å; A495-V521 HydrophobicContact CB-CG2 4.46Å; A495-V521 CarbonylContact O-C 3.34Å; A495-V521 WeakPolarHBondContact O-CA 3.49Å; A495-F522 PolarHBondContact O-N 2.88Å
496	I	91.9	Very high	81.1	Confident	0 Å²	0	47.7 Å²	47.7	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	105.5	172.5	-59.1	175.2	0	0	0	107	L387 M388 F389 L390 F413 V494 I498 F522 V524 I562	L387-I496 HydrophobicContact CD1-CD1 3.85Å; L387-I496 HydrophobicContact CD1-CG1 4.13Å; M388-I496 PolarHBondContact O-N 2.7Å; F389-I496 WeakPolarHBondContact CA-O 3.12Å; F389-I496 HydrophobicContact CD1-CB 3.86Å; F389-I496 HydrophobicContact CD1-CD1 4.41Å; F389-I496 HydrophobicContact CD1-CG2 4.08Å; F389-I496 HydrophobicContact CE1-CB 3.99Å; F389-I496 HydrophobicContact CE1-CD1 3.69Å; F389-I496 HydrophobicContact CE1-CG1 4.39Å; F389-I496 HydrophobicContact CE1-CG2 4.1Å; F389-I496 HydrophobicContact CZ-CD1 4.03Å; L390-I496 PolarHBondContact N-O 3.16Å; F413-I496 HydrophobicContact CD1-CD1 4.37Å; F413-I496 HydrophobicContact CE1-CD1 3.7Å; F413-I496 HydrophobicContact CE2-CD1 4.29Å; F413-I496 HydrophobicContact CZ-CD1 3.69Å; V494-I496 HydrophobicContact CG1-CG1 4.39Å; I496-I498 HydrophobicContact CG2-CD1 4.45Å; I496-I498 HydrophobicContact CG2-CG1 4Å; I496-F522 HydrophobicContact CG1-CB 4.31Å; I496-F522 HydrophobicContact CG1-CD2 4.4Å; I496-V524 HydrophobicContact CG2-CG2 3.89Å; I496-I562 HydrophobicContact CD1-CG2 3.81Å; I496-I562 HydrophobicContact CG1-CG2 4.35Å
497	V	91.6	Very high	81.7	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	128	171.4	-171.1	0	0	0	0	107.7	L390 T466 V521 F522 V524 I538	L390-V497 HydrophobicContact CB-CB 4.48Å; L390-V497 HydrophobicContact CB-CG1 4.42Å; L390-V497 HydrophobicContact CB-CG2 4.2Å; L390-V497 HydrophobicContact CD2-CG1 4.26Å; L390-V497 HydrophobicContact CD2-CG2 4.07Å; L390-V497 WeakPolarHBondContact O-CA 3.4Å; T466-V497 HydrophobicContact CG2-CG1 4.07Å; V497-V521 HydrophobicContact CG2-CG1 4.11Å; V497-F522 PolarHBondContact N-O 3.28Å; V497-V524 PolarHBondContact O-N 3.08Å; V497-I538 HydrophobicContact CB-CG2 4.4Å; V497-I538 HydrophobicContact CG2-CG2 3.97Å
498	I	91.2	Very high	82.7	Confident	3 Å²	3	42.5 Å²	42.5	2%	0.015	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	120.7	173.3	-48.4	-176.7	0	0	0	107	F389 L390 L391 D392 F409 I496 V524 V526	F389-I498 HydrophobicContact CD1-CD1 4.28Å; L390-I498 PolarHBondContact O-N 2.59Å; L391-I498 HydrophobicContact CD2-CB 4.27Å; L391-I498 HydrophobicContact CD2-CD1 3.77Å; L391-I498 HydrophobicContact CD2-CG1 4.15Å; D392-I498 VanDerWaalsContact CB-O 3.25Å; D392-I498 WeakPolarHBondContact CB-O 3Å; D392-I498 PolarHBondContact N-O 3.42Å; F409-I498 HydrophobicContact CD1-CD1 3.88Å; F409-I498 HydrophobicContact CE1-CD1 3.75Å; I496-I498 HydrophobicContact CG2-CD1 4.45Å; I496-I498 HydrophobicContact CG2-CG1 4Å; I498-V524 WeakPolarHBondContact CA-O 3.18Å; I498-V524 HydrophobicContact CG1-CB 4.24Å; I498-V524 HydrophobicContact CG1-CG2 4.5Å; I498-V524 HydrophobicContact CG2-CB 4.43Å; I498-V524 HydrophobicContact CG2-CG1 4.44Å; I498-V526 HydrophobicContact CG2-CG2 3.96Å
499	T	89.1	Confident	83.8	Confident	4 Å²	4	44.4 Å²	44.4	3%	0.025	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	149.2	-176.7	-180	0	0	0	0	112.2	D392 G501 V524 V526 V530 L535	D392-T499 WeakPolarHBondContact OD2-CB 3.28Å; D392-T499 PolarHBondContact OD2-OG1 2.84Å; T499-G501 PolarHBondContact OG1-O 3.14Å; T499-V524 PolarHBondContact N-O 3.41Å; T499-V524 VanDerWaalsContact N-O 3.1Å; T499-V526 PolarHBondContact O-N 2.96Å; T499-V530 HydrophobicContact CG2-CG1 3.99Å; T499-V530 WeakPolarHBondContact O-CG2 3.28Å; T499-L535 HydrophobicContact CG2-CD2 4.04Å
500	D	84.1	Confident	85	Confident	6 Å²	6	41.7 Å²	41.7	3%	0.032	22%	0.22	C	C	.	.	S	Bend	trans	-107	-0.9	-176.2	78.9	-43.8	0	0	0	114	D392 S394 S396 I397 V526 T527 F551	D392-D500 PolarHBondContact OD2-N 3.43Å; S394-D500 PolarHBondContact OG-OD1 3.06Å; S396-D500 WeakPolarHBondContact CB-OD2 3.07Å; S396-D500 PolarHBondContact OG-OD1 3.42Å; S396-D500 PolarHBondContact OG-OD2 2.89Å; I397-D500 HydrophobicContact CG1-CB 3.81Å; I397-D500 VanDerWaalsContact CG1-OD2 3.24Å; I397-D500 WeakPolarHBondContact CG1-OD2 3.03Å; I397-D500 PolarHBondContact N-OD2 3.32Å; D500-V526 WeakPolarHBondContact CA-O 3.38Å; D500-T527 PolarHBondContact O-OG1 3.12Å; D500-F551 HydrophobicContact CB-CE1 4.4Å; D500-F551 HydrophobicContact CB-CZ 3.72Å
501	G	79.9	Confident	85.9	Confident	10 Å²	10	38.9 Å²	38.9	10%	0.103	19%	0.191	C	C	.	.	S	Bend	trans	-155.9	164.2	-179.2	0	0	0	0	0	114.5	T499	T499-G501 PolarHBondContact OG1-O 3.14Å
502	R	83.2	Confident	86.3	Confident	170 Å²	170	39.9 Å²	39.9	64%	0.642	20%	0.197	S	C	*	.			trans	-58.2	137.6	170.3	-161.6	-175.9	-167.9	163.8	7.5	111.8	H529 E534	R502-H529 PolarHBondContact N-O 2.99Å; R502-E534 WeakPolarHBondContact CG-OE2 3.46Å
503	S	85.4	Confident	86.6	Confident	17 Å²	17	38 Å²	38	12%	0.119	19%	0.188	C	C	.	.			trans	-70.1	146.6	-179.4	-169.6	0	0	0	0	113.1	T464 T466 D505 E534	T464-S503 PolarHBondContact O-OG 3.06Å; T466-S503 PolarHBondContact N-OG 3.44Å; S503-D505 VanDerWaalsContact C-N 3.26Å; S503-D505 WeakPolarHBondContact CB-O 3.31Å; S503-D505 PolarHBondContact OG-N 2.9Å; S503-D505 PolarHBondContact OG-O 3.22Å; S503-D505 PolarHBondContact OG-OD1 3.18Å; S503-E534 WeakPolarHBondContact CB-OE1 3.41Å; S503-E534 PolarHBondContact N-OE1 3.46Å; S503-E534 PolarHBondContact N-OE2 2.8Å
504	Q	83.9	Confident	86.6	Confident	134 Å²	134	37 Å²	37	63%	0.626	18%	0.184	S	C	*	.	S	Bend	trans	-85.3	2.1	172.7	-60	-83.5	-40.6	0	0	112.2	L463 T464	L463-Q504 HydrophobicContact CB-CG 4.27Å; T464-Q504 VanDerWaalsContact O-CB 3.26Å; T464-Q504 WeakPolarHBondContact O-CB 3.43Å; T464-Q504 WeakPolarHBondContact O-CG 3.39Å; T464-Q504 PolarHBondContact O-N 3.31Å
505	D	87	Confident	86.4	Confident	34 Å²	34	40.3 Å²	40.3	18%	0.182	20%	0.197	C	C	.	.	S	Bend	trans	-143.9	169.5	174	60.5	32.4	0	0	0	112.9	K465 G467 N468 S503 V507	K465-D505 VanDerWaalsContact CB-OD2 3.27Å; K465-D505 WeakPolarHBondContact CB-OD2 3.37Å; G467-D505 WeakPolarHBondContact CA-OD1 3.41Å; G467-D505 PolarHBondContact N-OD1 3.09Å; N468-D505 PolarHBondContact N-OD1 3.45Å; N468-D505 PolarHBondContact N-OD2 3.07Å; N468-D505 PolarHBondContact ND2-OD2 3.45Å; S503-D505 VanDerWaalsContact C-N 3.26Å; S503-D505 WeakPolarHBondContact CB-O 3.31Å; S503-D505 PolarHBondContact OG-N 2.9Å; S503-D505 PolarHBondContact OG-O 3.22Å; S503-D505 PolarHBondContact OG-OD1 3.18Å; D505-V507 PolarHBondContact O-N 2.97Å
506	V	84.3	Confident	86	Confident	109 Å²	109	45 Å²	45	66%	0.661	21%	0.214	S	C	*	.			trans	-81.6	106.7	-169	-177.7	0	0	0	0	111.5	T508	V506-T508 WeakPolarHBondContact CG1-OG1 3.33Å
507	V	88.2	Confident	85.5	Confident	3 Å²	3	48 Å²	48	2%	0.018	23%	0.23	C	C	.	.			trans	-72.1	-29.3	178.6	-64.8	0	0	0	0	114.3	T466 D505 F509 S510 A511 E534 I538	T466-V507 HydrophobicContact CG2-CG1 4.21Å; D505-V507 PolarHBondContact O-N 2.97Å; V507-F509 VanDerWaalsContact C-N 3.27Å; V507-F509 PolarHBondContact O-N 3.49Å; V507-S510 PolarHBondContact O-N 2.99Å; V507-S510 VanDerWaalsContact O-N 3.1Å; V507-A511 WeakPolarHBondContact O-CB 3.43Å; V507-A511 PolarHBondContact O-N 3.01Å; V507-E534 HydrophobicContact CG1-CG 4.44Å; V507-E534 WeakPolarHBondContact CG1-OE1 3.37Å; V507-E534 HydrophobicContact CG2-CG 3.5Å; V507-E534 VanDerWaalsContact CG2-CG 3.5Å; V507-I538 HydrophobicContact CB-CD1 4.42Å; V507-I538 HydrophobicContact CB-CG1 3.98Å; V507-I538 HydrophobicContact CG1-CD1 4.13Å; V507-I538 HydrophobicContact CG1-CG1 4.22Å; V507-I538 HydrophobicContact CG2-CD1 4.45Å; V507-I538 HydrophobicContact CG2-CG1 4.02Å
508	T	85.1	Confident	85.1	Confident	54 Å²	54	51 Å²	51	33%	0.331	26%	0.255	S	S	.	.	H	α-helix	trans	-44.6	-49.1	-169.6	-36.2	0	0	0	0	113.8	V506 V512 E537	V506-T508 WeakPolarHBondContact CG1-OG1 3.33Å; T508-V512 WeakPolarHBondContact O-CB 3.07Å; T508-V512 WeakPolarHBondContact O-CG2 3.47Å; T508-V512 PolarHBondContact O-N 3.1Å; T508-V512 VanDerWaalsContact O-N 3.09Å; T508-E537 WeakPolarHBondContact CA-OE2 3.23Å; T508-E537 WeakPolarHBondContact CB-OE2 3.22Å; T508-E537 VanDerWaalsContact CG2-CD 3.44Å; T508-E537 HydrophobicContact CG2-CG 4.11Å; T508-E537 VanDerWaalsContact CG2-OE1 3.28Å; T508-E537 WeakPolarHBondContact CG2-OE1 3.14Å; T508-E537 PolarHBondContact N-OE2 2.8Å; T508-E537 VanDerWaalsContact OG1-CD 3.24Å; T508-E537 PolarHBondContact OG1-OE1 3.03Å; T508-E537 PolarHBondContact OG1-OE2 3.41Å
509	F	84.7	Confident	84.9	Confident	127 Å²	127	51 Å²	51	56%	0.557	26%	0.255	S	S	*	.	H	α-helix	trans	-67.4	-53	-175.7	178.4	-100.8	0	0	0	111.2	V507 A511 V512 E513	V507-F509 VanDerWaalsContact C-N 3.27Å; V507-F509 PolarHBondContact O-N 3.49Å; F509-A511 VanDerWaalsContact C-N 3.27Å; F509-A511 PolarHBondContact O-N 3.5Å; F509-V512 PolarHBondContact O-N 2.89Å; F509-E513 WeakPolarHBondContact O-CB 3.24Å; F509-E513 PolarHBondContact O-N 2.89Å
510	S	85.8	Confident	84.8	Confident	6 Å²	6	53.6 Å²	53.6	4%	0.042	27%	0.269	C	S	.	.	H	α-helix	trans	-61.5	-35.6	179.6	-54.2	0	0	0	0	112.4	G467 L474 V507 A514	G467-S510 WeakPolarHBondContact O-CB 3.48Å; G467-S510 PolarHBondContact O-OG 3.27Å; L474-S510 WeakPolarHBondContact CD1-O 3.19Å; V507-S510 PolarHBondContact O-N 2.99Å; V507-S510 VanDerWaalsContact O-N 3.1Å; S510-A514 WeakPolarHBondContact O-CB 3.22Å; S510-A514 PolarHBondContact O-N 2.99Å
511	A	86.4	Confident	85	Confident	0 Å²	0	53.3 Å²	53.3	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-71.6	-41.8	178.6	0	0	0	0	0	113.5	M470 V507 F509 A514 R515 E537	M470-A511 HydrophobicContact CE-CB 3.84Å; M470-A511 HydrophobicContact SD-CB 4.25Å; V507-A511 WeakPolarHBondContact O-CB 3.43Å; V507-A511 PolarHBondContact O-N 3.01Å; F509-A511 VanDerWaalsContact C-N 3.27Å; F509-A511 PolarHBondContact O-N 3.5Å; A511-A514 WeakPolarHBondContact O-CB 3.05Å; A511-A514 PolarHBondContact O-N 2.82Å; A511-R515 PolarHBondContact O-N 3.26Å; A511-R515 PolarHBondContact O-NH1 2.69Å; A511-E537 WeakPolarHBondContact CB-O 3.33Å
512	V	85.1	Confident	85.5	Confident	36 Å²	36	52.8 Å²	52.8	22%	0.218	26%	0.262	C	S	.	.	H	α-helix	trans	-64.6	-42.6	171.9	168.6	0	0	0	0	110.8	T508 F509 A514 R515 R516 D2524	T508-V512 WeakPolarHBondContact O-CB 3.07Å; T508-V512 WeakPolarHBondContact O-CG2 3.47Å; T508-V512 PolarHBondContact O-N 3.1Å; T508-V512 VanDerWaalsContact O-N 3.09Å; F509-V512 PolarHBondContact O-N 2.89Å; V512-A514 VanDerWaalsContact C-N 3.29Å; V512-A514 PolarHBondContact O-N 3.27Å; V512-R515 PolarHBondContact O-N 2.79Å; V512-R516 HydrophobicContact CG1-CG 4.4Å; V512-R516 WeakPolarHBondContact O-CB 3.06Å; V512-R516 VanDerWaalsContact O-CG 3.27Å; V512-R516 WeakPolarHBondContact O-CG 3.29Å; V512-R516 PolarHBondContact O-N 3.37Å; V512-D2524 WeakPolarHBondContact CG1-OD2 3.15Å
513	E	85.5	Confident	85.8	Confident	60 Å²	60	44.7 Å²	44.7	28%	0.28	23%	0.232	S	C	.	.	H	α-helix	trans	-59.9	-38	174.9	-159.5	68.9	-139.1	0	0	111.5	L474 F509 N517	L474-E513 HydrophobicContact CD1-CB 3.91Å; L474-E513 HydrophobicContact CD1-CG 4.1Å; F509-E513 WeakPolarHBondContact O-CB 3.24Å; F509-E513 PolarHBondContact O-N 2.89Å; E513-N517 PolarHBondContact O-N 2.86Å; E513-N517 VanDerWaalsContact O-N 3.12Å; E513-N517 PolarHBondContact O-ND2 3.45Å
514	A	86.7	Confident	86	Confident	0 Å²	0	43.9 Å²	43.9	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-63.2	-50.4	176.9	0	0	0	0	0	112.5	M470 M473 L474 S510 A511 V512 R516 N517 A518 V519 V521	M470-A514 HydrophobicContact CE-CB 4.38Å; M473-A514 HydrophobicContact CE-CB 4.42Å; L474-A514 HydrophobicContact CD1-CB 3.87Å; L474-A514 HydrophobicContact CD2-CB 3.83Å; L474-A514 HydrophobicContact CG-CB 4.29Å; S510-A514 WeakPolarHBondContact O-CB 3.22Å; S510-A514 PolarHBondContact O-N 2.99Å; A511-A514 WeakPolarHBondContact O-CB 3.05Å; A511-A514 PolarHBondContact O-N 2.82Å; V512-A514 VanDerWaalsContact C-N 3.29Å; V512-A514 PolarHBondContact O-N 3.27Å; A514-R516 VanDerWaalsContact C-N 3.35Å; A514-R516 PolarHBondContact O-N 3.36Å; A514-N517 CarbonylContact O-C 2.98Å; A514-N517 PolarHBondContact O-N 2.03Å; A514-N517 VanDerWaalsContact O-N 3.11Å; A514-A518 PolarHBondContact O-N 3.1Å; A514-V519 HydrophobicContact CB-CB 4.49Å; A514-V519 WeakPolarHBondContact O-CB 3.22Å; A514-V519 PolarHBondContact O-N 2.98Å; A514-V519 VanDerWaalsContact O-N 3.17Å; A514-V521 HydrophobicContact CB-CG2 3.78Å
515	R	85.3	Confident	86	Confident	73 Å²	73	37.5 Å²	37.5	28%	0.275	20%	0.196	S	C	.	.	H	α-helix	trans	-63.6	-39.9	179.7	-67.8	-174.1	-71.7	-89.9	11.3	111.9	A511 V512 N517 A518 E537 I538 A539	A511-R515 PolarHBondContact O-N 3.26Å; A511-R515 PolarHBondContact O-NH1 2.69Å; V512-R515 PolarHBondContact O-N 2.79Å; R515-N517 VanDerWaalsContact C-N 3.26Å; R515-N517 PolarHBondContact O-N 2.98Å; R515-A518 PolarHBondContact O-N 2.75Å; R515-E537 VanDerWaalsContact CZ-O 3.29Å; R515-E537 PolarHBondContact NH1-O 3.15Å; R515-E537 PolarHBondContact NH2-O 2.89Å; R515-I538 VanDerWaalsContact NH1-C 3.34Å; R515-I538 PolarHBondContact NH1-O 2.02Å; R515-A539 WeakPolarHBondContact CD-O 3.28Å
516	R	82.3	Confident	85.7	Confident	100 Å²	100	35.9 Å²	35.9	38%	0.377	19%	0.187	S	C	.	.	H	α-helix	trans	-62	-30.5	173.7	-73.1	170.6	175.2	-172.2	-1.6	113.2	V512 A514 A518 D2524 F2525	V512-R516 HydrophobicContact CG1-CG 4.4Å; V512-R516 WeakPolarHBondContact O-CB 3.06Å; V512-R516 VanDerWaalsContact O-CG 3.27Å; V512-R516 WeakPolarHBondContact O-CG 3.29Å; V512-R516 PolarHBondContact O-N 3.37Å; A514-R516 VanDerWaalsContact C-N 3.35Å; A514-R516 PolarHBondContact O-N 3.36Å; R516-A518 PolarHBondContact O-N 2.94Å; R516-D2524 IonicContact CZ-OD1 3.15Å; R516-D2524 IonicContact CZ-OD2 3.43Å; R516-D2524 IonicContact NE-OD2 2.75Å; R516-D2524 PolarHBondContact NE-OD2 3.16Å; R516-D2524 IonicContact NH2-OD1 2.74Å; R516-D2524 PolarHBondContact NH2-OD1 2.01Å; R516-D2524 IonicContact NH2-OD2 3.16Å; R516-D2524 PolarHBondContact NH2-OD2 2.95Å; R516-F2525 VanDerWaalsContact NH1-CZ 3.27Å; R516-F2525 VanDerWaalsContact NH2-CE2 3.33Å; R516-F2525 VanDerWaalsContact NH2-CZ 3.31Å
517	N	81.4	Confident	85.1	Confident	62 Å²	62	32.1 Å²	32.1	33%	0.332	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.9	15.8	173.5	-77.8	-79.8	0	0	0	113.6	E513 A514 R515 V519	E513-N517 PolarHBondContact O-N 2.86Å; E513-N517 VanDerWaalsContact O-N 3.12Å; E513-N517 PolarHBondContact O-ND2 3.45Å; A514-N517 CarbonylContact O-C 2.98Å; A514-N517 PolarHBondContact O-N 2.03Å; A514-N517 VanDerWaalsContact O-N 3.11Å; R515-N517 VanDerWaalsContact C-N 3.26Å; R515-N517 PolarHBondContact O-N 2.98Å; N517-V519 PolarHBondContact O-N 3.44Å
518	A	82.9	Confident	84	Confident	63 Å²	63	36.6 Å²	36.6	52%	0.521	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.5	34.9	-179.5	0	0	0	0	0	114	L487 A514 R515 R516	L487-A518 HydrophobicContact CD2-CB 3.95Å; A514-A518 PolarHBondContact O-N 3.1Å; R515-A518 PolarHBondContact O-N 2.75Å; R516-A518 PolarHBondContact O-N 2.94Å
519	V	86	Confident	83.3	Confident	4 Å²	4	41 Å²	41	2%	0.024	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	121.1	164.6	-178.6	0	0	0	0	108	L474 F478 R493 A495 A514 N517 V521	L474-V519 HydrophobicContact CD2-CG2 4Å; F478-V519 HydrophobicContact CD2-CG1 4.36Å; F478-V519 HydrophobicContact CD2-CG2 3.77Å; F478-V519 HydrophobicContact CE2-CB 4.31Å; F478-V519 HydrophobicContact CE2-CG1 3.51Å; F478-V519 HydrophobicContact CE2-CG2 3.74Å; F478-V519 HydrophobicContact CG-CG2 4.26Å; F478-V519 HydrophobicContact CZ-CG1 3.75Å; F478-V519 HydrophobicContact CZ-CG2 4.21Å; R493-V519 HydrophobicContact CB-CG2 4.34Å; A495-V519 HydrophobicContact CB-CG1 3.61Å; A514-V519 HydrophobicContact CB-CB 4.49Å; A514-V519 WeakPolarHBondContact O-CB 3.22Å; A514-V519 PolarHBondContact O-N 2.98Å; A514-V519 VanDerWaalsContact O-N 3.17Å; N517-V519 PolarHBondContact O-N 3.44Å; V519-V521 HydrophobicContact CB-CG2 4.46Å; V519-V521 HydrophobicContact CG1-CG2 4.02Å; V519-V521 PolarHBondContact O-N 3.48Å
520	L	86.8	Confident	82.9	Confident	57 Å²	57	35.7 Å²	35.7	30%	0.298	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	97.4	171.6	-166.9	68.8	0	0	0	108.2	R493 V494 A495 F522	R493-L520 PolarHBondContact O-N 3.13Å; V494-L520 WeakPolarHBondContact CA-O 3.35Å; A495-L520 PolarHBondContact N-O 2.66Å; L520-F522 HydrophobicContact CD2-CE2 3.76Å; L520-F522 HydrophobicContact CD2-CZ 3.72Å; L520-F522 HydrophobicContact CG-CE2 3.87Å; L520-F522 HydrophobicContact CG-CZ 4.01Å
521	V	88.9	Confident	82.7	Confident	0 Å²	0	37 Å²	37	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	132.8	-179.6	-173.3	0	0	0	0	110.1	M470 A495 V497 A514 V519 I538 R544	M470-V521 HydrophobicContact CE-CG1 4.19Å; M470-V521 HydrophobicContact CE-CG2 4.47Å; A495-V521 HydrophobicContact CB-CG2 4.46Å; A495-V521 CarbonylContact O-C 3.34Å; A495-V521 WeakPolarHBondContact O-CA 3.49Å; V497-V521 HydrophobicContact CG2-CG1 4.11Å; A514-V521 HydrophobicContact CB-CG2 3.78Å; V519-V521 HydrophobicContact CB-CG2 4.46Å; V519-V521 HydrophobicContact CG1-CG2 4.02Å; V519-V521 PolarHBondContact O-N 3.48Å; V521-I538 HydrophobicContact CG1-CG2 3.81Å; V521-I538 WeakPolarHBondContact CG1-O 3.15Å; V521-R544 PolarHBondContact O-NH1 3.03Å
522	F	90.8	Very high	82.4	Confident	0 Å²	0	39.4 Å²	39.4	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	141.7	166	-65.3	-78.8	0	0	0	108.7	V494 A495 I496 V497 L520 R544 F546 I562 A565 A566	V494-F522 HydrophobicContact CG1-CD2 3.71Å; V494-F522 HydrophobicContact CG1-CE2 3.69Å; A495-F522 PolarHBondContact O-N 2.88Å; I496-F522 HydrophobicContact CG1-CB 4.31Å; I496-F522 HydrophobicContact CG1-CD2 4.4Å; V497-F522 PolarHBondContact N-O 3.28Å; L520-F522 HydrophobicContact CD2-CE2 3.76Å; L520-F522 HydrophobicContact CD2-CZ 3.72Å; L520-F522 HydrophobicContact CG-CE2 3.87Å; L520-F522 HydrophobicContact CG-CZ 4.01Å; F522-R544 WeakPolarHBondContact CA-O 3.37Å; F522-R544 HydrophobicContact CD1-CB 3.64Å; F522-R544 HydrophobicContact CD1-CG 3.91Å; F522-R544 HydrophobicContact CE1-CB 3.82Å; F522-R544 HydrophobicContact CE1-CG 3.51Å; F522-R544 HydrophobicContact CZ-CG 4.35Å; F522-F546 AromaticContact CD1-CE2 3.85Å; F522-F546 HydrophobicContact CD1-CE2 3.85Å; F522-F546 HydrophobicContact CE1-CE2 4.38Å; F522-I562 HydrophobicContact CG-CG2 4.46Å; F522-A565 HydrophobicContact CE1-CB 3.54Å; F522-A565 HydrophobicContact CZ-CB 3.93Å; F522-A566 HydrophobicContact CE2-CB 3.78Å; F522-A566 HydrophobicContact CZ-CB 3.98Å
523	A	89.5	Confident	82.3	Confident	0 Å²	0	41 Å²	41	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	109.9	-180	0	0	0	0	0	109.4	L535 I538 A539 R544 V545 F546	A523-L535 HydrophobicContact CB-CB 3.97Å; A523-L535 HydrophobicContact CB-CD2 3.72Å; A523-L535 HydrophobicContact CB-CG 4.45Å; A523-I538 HydrophobicContact CB-CB 4.24Å; A523-I538 HydrophobicContact CB-CG2 3.81Å; A523-A539 HydrophobicContact CB-CB 4.01Å; A523-R544 PolarHBondContact N-O 3.09Å; A523-V545 HydrophobicContact CB-CG2 4.47Å; A523-V545 CarbonylContact O-C 3.55Å; A523-V545 WeakPolarHBondContact O-CA 3.08Å; A523-F546 PolarHBondContact O-N 2.72Å
524	V	88.3	Confident	82.3	Confident	0 Å²	0	39.4 Å²	39.4	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	106.7	175	-173.6	0	0	0	0	107.6	I496 V497 I498 T499 V526 F546 V548 L554 L558 I562	I496-V524 HydrophobicContact CG2-CG2 3.89Å; V497-V524 PolarHBondContact O-N 3.08Å; I498-V524 WeakPolarHBondContact CA-O 3.18Å; I498-V524 HydrophobicContact CG1-CB 4.24Å; I498-V524 HydrophobicContact CG1-CG2 4.5Å; I498-V524 HydrophobicContact CG2-CB 4.43Å; I498-V524 HydrophobicContact CG2-CG1 4.44Å; T499-V524 PolarHBondContact N-O 3.41Å; T499-V524 VanDerWaalsContact N-O 3.1Å; V524-V526 HydrophobicContact CG1-CG2 4.15Å; V524-F546 CarbonylContact C-O 3.58Å; V524-F546 VanDerWaalsContact CA-O 3.29Å; V524-F546 WeakPolarHBondContact CA-O 3.38Å; V524-F546 HydrophobicContact CG2-CB 4.48Å; V524-V548 HydrophobicContact CG1-CG2 3.98Å; V524-L554 HydrophobicContact CG1-CD2 3.98Å; V524-L558 HydrophobicContact CG1-CD2 4.42Å; V524-I562 HydrophobicContact CG2-CD1 3.85Å
525	G	85.9	Confident	82.4	Confident	0 Å²	0	39.4 Å²	39.4	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	126.2	170.5	0	0	0	0	0	109.1	F546 L547 V548	G525-F546 PolarHBondContact N-O 2.66Å; G525-L547 WeakPolarHBondContact O-CA 3.47Å; G525-V548 PolarHBondContact O-N 2.79Å
526	V	79.2	Confident	82.5	Confident	0 Å²	0	38.7 Å²	38.7	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	134.2	175.4	-166.7	0	0	0	0	109.3	I498 T499 D500 V524 V530 V548 F551 L554	I498-V526 HydrophobicContact CG2-CG2 3.96Å; T499-V526 PolarHBondContact O-N 2.96Å; D500-V526 WeakPolarHBondContact CA-O 3.38Å; V524-V526 HydrophobicContact CG1-CG2 4.15Å; V526-V530 VanDerWaalsContact O-CG2 3.25Å; V526-V530 WeakPolarHBondContact O-CG2 3.47Å; V526-V548 CarbonylContact C-O 2.96Å; V526-V548 VanDerWaalsContact CA-O 3.27Å; V526-V548 WeakPolarHBondContact CA-O 3.16Å; V526-F551 HydrophobicContact CB-CD1 4.18Å; V526-F551 HydrophobicContact CB-CE1 3.94Å; V526-F551 HydrophobicContact CB-CZ 4.25Å; V526-F551 HydrophobicContact CG1-CB 4.27Å; V526-F551 HydrophobicContact CG1-CD1 3.57Å; V526-F551 HydrophobicContact CG1-CD2 3.87Å; V526-F551 HydrophobicContact CG1-CE1 3.76Å; V526-F551 HydrophobicContact CG1-CE2 4.06Å; V526-F551 HydrophobicContact CG1-CG 3.63Å; V526-F551 HydrophobicContact CG1-CZ 4.01Å; V526-F551 HydrophobicContact CG2-CD1 4.47Å; V526-F551 HydrophobicContact CG2-CE1 4.42Å; V526-L554 HydrophobicContact CG2-CD2 4.02Å
527	T	72	Confident	82.6	Confident	29 Å²	29	37.4 Å²	37.4	18%	0.178	21%	0.212	C	C	.	.	S	Bend	trans	70.5	160.5	-168.2	84.8	0	0	0	0	115.3	D500 H529 V548 K549 F551	D500-T527 PolarHBondContact O-OG1 3.12Å; T527-H529 PolarHBondContact O-N 2.7Å; T527-H529 VanDerWaalsContact O-N 3.16Å; T527-H529 PolarHBondContact OG1-N 2.06Å; T527-V548 PolarHBondContact N-O 2.92Å; T527-K549 WeakPolarHBondContact CA-O 3.43Å; T527-K549 PolarHBondContact N-O 3.42Å; T527-F551 HydrophobicContact CG2-CD2 4.3Å; T527-F551 HydrophobicContact CG2-CE2 3.7Å; T527-F551 HydrophobicContact CG2-CZ 4.37Å
528	D	65.5	Low	82.9	Confident	97 Å²	97	34.5 Å²	34.5	52%	0.519	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.9	2.7	-177.7	-55.3	-31	0	0	0	112.2	K549 K1493	D528-K549 WeakPolarHBondContact OD1-CG 3.3Å; D528-K1493 IonicContact OD2-NZ 3.52Å; D528-K1493 PolarHBondContact OD2-NZ 3.34Å
529	H	70.3	Confident	83.1	Confident	147 Å²	147	31.5 Å²	31.5	68%	0.681	17%	0.172	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.8	-2.1	178.9	-60.7	-33.2	0	0	0	114.8	R502 T527	R502-H529 PolarHBondContact N-O 2.99Å; T527-H529 PolarHBondContact O-N 2.7Å; T527-H529 VanDerWaalsContact O-N 3.16Å; T527-H529 PolarHBondContact OG1-N 2.06Å
530	V	76.3	Confident	82.8	Confident	16 Å²	16	33 Å²	33	10%	0.097	19%	0.189	C	C	.	.	S	Bend	trans	-97.5	131.2	-179	-154.9	0	0	0	0	110.8	T499 V526 E532 L535	T499-V530 HydrophobicContact CG2-CG1 3.99Å; T499-V530 WeakPolarHBondContact O-CG2 3.28Å; V526-V530 VanDerWaalsContact O-CG2 3.25Å; V526-V530 WeakPolarHBondContact O-CG2 3.47Å; V530-E532 PolarHBondContact O-N 3.1Å; V530-L535 HydrophobicContact CB-CD1 4.12Å; V530-L535 HydrophobicContact CG1-CD1 3.66Å; V530-L535 HydrophobicContact CG1-CD2 3.8Å; V530-L535 HydrophobicContact CG1-CG 3.79Å
531	S	81.1	Confident	82.4	Confident	34 Å²	34	31.2 Å²	31.2	24%	0.238	18%	0.182	C	C	.	.			trans	-77	115.3	-179.7	-176.2	0	0	0	0	111.3	A533 E534 L535	S531-A533 VanDerWaalsContact C-N 3.26Å; S531-A533 PolarHBondContact O-N 2.79Å; S531-E534 WeakPolarHBondContact O-CA 3.05Å; S531-E534 WeakPolarHBondContact O-CB 3.03Å; S531-E534 PolarHBondContact O-N 2.83Å; S531-L535 PolarHBondContact O-N 2.91Å
532	E	81.6	Confident	81.9	Confident	50 Å²	50	36.7 Å²	36.7	23%	0.234	21%	0.206	C	C	.	.	H	α-helix	trans	-57.8	-40.2	176.9	-161.2	-165.7	168.7	0	0	111.5	V530 E534 L535 I536 K542 V545 L547	V530-E532 PolarHBondContact O-N 3.1Å; E532-E534 VanDerWaalsContact C-N 3.25Å; E532-E534 PolarHBondContact O-N 2.9Å; E532-L535 CarbonylContact O-C 3.55Å; E532-L535 PolarHBondContact O-N 3.04Å; E532-L535 VanDerWaalsContact O-N 3.12Å; E532-I536 HydrophobicContact CG-CD1 4.01Å; E532-I536 HydrophobicContact CG-CG1 4.27Å; E532-I536 WeakPolarHBondContact O-CB 3.14Å; E532-I536 VanDerWaalsContact O-CG1 3.31Å; E532-I536 WeakPolarHBondContact O-CG1 3.13Å; E532-I536 PolarHBondContact O-N 2.8Å; E532-K542 VanDerWaalsContact CD-NZ 3.3Å; E532-K542 WeakPolarHBondContact OE1-CD 2.94Å; E532-K542 WeakPolarHBondContact OE1-CE 3.33Å; E532-K542 IonicContact OE1-NZ 2.7Å; E532-K542 PolarHBondContact OE1-NZ 3.44Å; E532-K542 IonicContact OE2-NZ 3.7Å; E532-K542 PolarHBondContact OE2-NZ 3.31Å; E532-K542 VanDerWaalsContact OE2-NZ 3.1Å; E532-V545 HydrophobicContact CG-CG1 4.19Å; E532-L547 HydrophobicContact CB-CD1 4.11Å; E532-L547 HydrophobicContact CG-CD1 3.85Å; E532-L547 HydrophobicContact CG-CG 4.45Å
533	A	82.5	Confident	81	Confident	70 Å²	70	43.2 Å²	43.2	58%	0.579	24%	0.236	S	C	*	.	H	α-helix	trans	-57.9	-37.8	175.5	0	0	0	0	0	112.5	S531 E537	S531-A533 VanDerWaalsContact C-N 3.26Å; S531-A533 PolarHBondContact O-N 2.79Å; A533-E537 WeakPolarHBondContact O-CB 3.48Å; A533-E537 PolarHBondContact O-N 2.03Å
534	E	85.5	Confident	80.6	Confident	25 Å²	25	45.2 Å²	45.2	12%	0.117	24%	0.244	C	C	.	.	H	α-helix	trans	-71	-41.3	175.1	-166.2	-177.6	154.7	0	0	111.6	R502 S503 V507 S531 E532 I536 E537 I538	R502-E534 WeakPolarHBondContact CG-OE2 3.46Å; S503-E534 WeakPolarHBondContact CB-OE1 3.41Å; S503-E534 PolarHBondContact N-OE1 3.46Å; S503-E534 PolarHBondContact N-OE2 2.8Å; V507-E534 HydrophobicContact CG1-CG 4.44Å; V507-E534 WeakPolarHBondContact CG1-OE1 3.37Å; V507-E534 HydrophobicContact CG2-CG 3.5Å; V507-E534 VanDerWaalsContact CG2-CG 3.5Å; S531-E534 WeakPolarHBondContact O-CA 3.05Å; S531-E534 WeakPolarHBondContact O-CB 3.03Å; S531-E534 PolarHBondContact O-N 2.83Å; E532-E534 VanDerWaalsContact C-N 3.25Å; E532-E534 PolarHBondContact O-N 2.9Å; E534-I536 PolarHBondContact O-N 3.01Å; E534-E537 CarbonylContact O-C 3.56Å; E534-E537 WeakPolarHBondContact O-CA 3.3Å; E534-E537 WeakPolarHBondContact O-CB 3.36Å; E534-E537 PolarHBondContact O-N 3.01Å; E534-E537 VanDerWaalsContact O-N 3.09Å; E534-I538 HydrophobicContact CG-CD1 4.31Å; E534-I538 VanDerWaalsContact O-CG1 3.25Å; E534-I538 WeakPolarHBondContact O-CG1 3.35Å; E534-I538 PolarHBondContact O-N 3.02Å
535	L	89	Confident	80.4	Confident	1 Å²	1	45.7 Å²	45.7	1%	0.005	25%	0.246	C	C	.	.	H	α-helix	trans	-64.8	-37.4	174.9	-64.6	168.5	0	0	0	112.3	T499 A523 V530 S531 E532 E537 I538 A539 V545 L547	T499-L535 HydrophobicContact CG2-CD2 4.04Å; A523-L535 HydrophobicContact CB-CB 3.97Å; A523-L535 HydrophobicContact CB-CD2 3.72Å; A523-L535 HydrophobicContact CB-CG 4.45Å; V530-L535 HydrophobicContact CB-CD1 4.12Å; V530-L535 HydrophobicContact CG1-CD1 3.66Å; V530-L535 HydrophobicContact CG1-CD2 3.8Å; V530-L535 HydrophobicContact CG1-CG 3.79Å; S531-L535 PolarHBondContact O-N 2.91Å; E532-L535 CarbonylContact O-C 3.55Å; E532-L535 PolarHBondContact O-N 3.04Å; E532-L535 VanDerWaalsContact O-N 3.12Å; L535-E537 VanDerWaalsContact C-N 3.32Å; L535-I538 HydrophobicContact CD2-CD1 4.42Å; L535-I538 WeakPolarHBondContact O-CB 3.18Å; L535-I538 PolarHBondContact O-N 3.34Å; L535-A539 WeakPolarHBondContact O-CB 3.47Å; L535-A539 PolarHBondContact O-N 3.42Å; L535-V545 HydrophobicContact CB-CG1 3.68Å; L535-V545 HydrophobicContact CB-CG2 4.12Å; L535-V545 HydrophobicContact CD1-CG1 4.12Å; L535-V545 WeakPolarHBondContact O-CG2 3.26Å; L535-L547 HydrophobicContact CD1-CD2 3.52Å; L535-L547 HydrophobicContact CD1-CG 4.49Å
536	I	87.1	Confident	80.4	Confident	58 Å²	58	46.8 Å²	46.8	30%	0.297	25%	0.251	S	S	.	.	H	α-helix	trans	-65.8	-37.3	170.9	-68.5	168.9	0	0	0	109.7	E532 E534 I538 G540 K542 V545	E532-I536 HydrophobicContact CG-CD1 4.01Å; E532-I536 HydrophobicContact CG-CG1 4.27Å; E532-I536 WeakPolarHBondContact O-CB 3.14Å; E532-I536 VanDerWaalsContact O-CG1 3.31Å; E532-I536 WeakPolarHBondContact O-CG1 3.13Å; E532-I536 PolarHBondContact O-N 2.8Å; E534-I536 PolarHBondContact O-N 3.01Å; I536-I538 VanDerWaalsContact C-N 3.33Å; I536-I538 PolarHBondContact O-N 2.77Å; I536-G540 WeakPolarHBondContact O-CA 3.17Å; I536-G540 PolarHBondContact O-N 2.95Å; I536-K542 HydrophobicContact CD1-CD 4.32Å; I536-V545 HydrophobicContact CB-CG2 4.42Å; I536-V545 HydrophobicContact CG1-CG2 3.82Å
537	E	84.2	Confident	80.5	Confident	73 Å²	73	49.1 Å²	49.1	34%	0.341	26%	0.263	S	S	.	.	H	α-helix	trans	-67.1	-34.1	174.2	-152.5	177.8	-121.3	0	0	112.2	T508 A511 R515 A533 E534 L535	T508-E537 WeakPolarHBondContact CA-OE2 3.23Å; T508-E537 WeakPolarHBondContact CB-OE2 3.22Å; T508-E537 VanDerWaalsContact CG2-CD 3.44Å; T508-E537 HydrophobicContact CG2-CG 4.11Å; T508-E537 VanDerWaalsContact CG2-OE1 3.28Å; T508-E537 WeakPolarHBondContact CG2-OE1 3.14Å; T508-E537 PolarHBondContact N-OE2 2.8Å; T508-E537 VanDerWaalsContact OG1-CD 3.24Å; T508-E537 PolarHBondContact OG1-OE1 3.03Å; T508-E537 PolarHBondContact OG1-OE2 3.41Å; A511-E537 WeakPolarHBondContact CB-O 3.33Å; R515-E537 VanDerWaalsContact CZ-O 3.29Å; R515-E537 PolarHBondContact NH1-O 3.15Å; R515-E537 PolarHBondContact NH2-O 2.89Å; A533-E537 WeakPolarHBondContact O-CB 3.48Å; A533-E537 PolarHBondContact O-N 2.03Å; E534-E537 CarbonylContact O-C 3.56Å; E534-E537 WeakPolarHBondContact O-CA 3.3Å; E534-E537 WeakPolarHBondContact O-CB 3.36Å; E534-E537 PolarHBondContact O-N 3.01Å; E534-E537 VanDerWaalsContact O-N 3.09Å; L535-E537 VanDerWaalsContact C-N 3.32Å
538	I	87.5	Confident	80.7	Confident	1 Å²	1	48.5 Å²	48.5	1%	0.005	26%	0.26	C	S	.	.	H	α-helix	trans	-70.1	-54	174.9	-70.8	165.2	0	0	0	112.4	T466 M470 V497 V507 R515 V521 A523 E534 L535 I536	T466-I538 HydrophobicContact CG2-CD1 3.9Å; M470-I538 HydrophobicContact CE-CG2 3.86Å; M470-I538 HydrophobicContact SD-CB 4.31Å; M470-I538 HydrophobicContact SD-CG1 3.87Å; M470-I538 HydrophobicContact SD-CG2 3.83Å; V497-I538 HydrophobicContact CB-CG2 4.4Å; V497-I538 HydrophobicContact CG2-CG2 3.97Å; V507-I538 HydrophobicContact CB-CD1 4.42Å; V507-I538 HydrophobicContact CB-CG1 3.98Å; V507-I538 HydrophobicContact CG1-CD1 4.13Å; V507-I538 HydrophobicContact CG1-CG1 4.22Å; V507-I538 HydrophobicContact CG2-CD1 4.45Å; V507-I538 HydrophobicContact CG2-CG1 4.02Å; R515-I538 VanDerWaalsContact NH1-C 3.34Å; R515-I538 PolarHBondContact NH1-O 2.02Å; V521-I538 HydrophobicContact CG1-CG2 3.81Å; V521-I538 WeakPolarHBondContact CG1-O 3.15Å; A523-I538 HydrophobicContact CB-CB 4.24Å; A523-I538 HydrophobicContact CB-CG2 3.81Å; E534-I538 HydrophobicContact CG-CD1 4.31Å; E534-I538 VanDerWaalsContact O-CG1 3.25Å; E534-I538 WeakPolarHBondContact O-CG1 3.35Å; E534-I538 PolarHBondContact O-N 3.02Å; L535-I538 HydrophobicContact CD2-CD1 4.42Å; L535-I538 WeakPolarHBondContact O-CB 3.18Å; L535-I538 PolarHBondContact O-N 3.34Å; I536-I538 VanDerWaalsContact C-N 3.33Å; I536-I538 PolarHBondContact O-N 2.77Å
539	A	86.4	Confident	81	Confident	0 Å²	0	45.2 Å²	45.2	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-77.5	-37.9	-178.6	0	0	0	0	0	112.4	R515 A523 L535 R544 V545	R515-A539 WeakPolarHBondContact CD-O 3.28Å; A523-A539 HydrophobicContact CB-CB 4.01Å; L535-A539 WeakPolarHBondContact O-CB 3.47Å; L535-A539 PolarHBondContact O-N 3.42Å; A539-R544 HydrophobicContact CB-CB 4.08Å; A539-R544 WeakPolarHBondContact CB-O 3.22Å; A539-R544 PolarHBondContact O-NH1 2.77Å; A539-R544 PolarHBondContact O-NH2 2.83Å; A539-V545 HydrophobicContact CB-CG2 3.77Å
540	G	80.6	Confident	81.1	Confident	36 Å²	36	41 Å²	41	37%	0.371	22%	0.223	S	C	.	.	S	Bend	trans	80.2	11.8	-179	0	0	0	0	0	115.5	I536	I536-G540 WeakPolarHBondContact O-CA 3.17Å; I536-G540 PolarHBondContact O-N 2.95Å
541	A	78	Confident	81.1	Confident	19 Å²	19	41.5 Å²	41.5	16%	0.157	22%	0.224	C	C	.	.	S	Bend	trans	-162.8	145.1	171.8	0	0	0	0	0	109	E543 R544	A541-E543 WeakPolarHBondContact CB-OE1 3.23Å; A541-E543 VanDerWaalsContact CB-OE2 3.31Å; A541-E543 WeakPolarHBondContact CB-OE2 3.44Å; A541-R544 VanDerWaalsContact CB-NH2 3.33Å; A541-R544 PolarHBondContact O-N 2.66Å
542	K	79.3	Confident	80.5	Confident	115 Å²	115	43.6 Å²	43.6	50%	0.5	24%	0.236	S	C	.	.	G	3₁₀ helix	trans	-73.2	-30.5	-173.2	-176.9	158.2	172	140.5	0	111.7	E532 I536 R544 V545	E532-K542 VanDerWaalsContact CD-NZ 3.3Å; E532-K542 WeakPolarHBondContact OE1-CD 2.94Å; E532-K542 WeakPolarHBondContact OE1-CE 3.33Å; E532-K542 IonicContact OE1-NZ 2.7Å; E532-K542 PolarHBondContact OE1-NZ 3.44Å; E532-K542 IonicContact OE2-NZ 3.7Å; E532-K542 PolarHBondContact OE2-NZ 3.31Å; E532-K542 VanDerWaalsContact OE2-NZ 3.1Å; I536-K542 HydrophobicContact CD1-CD 4.32Å; K542-R544 PolarHBondContact O-N 3.09Å; K542-V545 PolarHBondContact O-N 3.33Å
543	E	70.7	Confident	79.8	Confident	136 Å²	136	42.2 Å²	42.2	64%	0.636	23%	0.234	S	C	*	.	G	3₁₀ helix	trans	-63.6	-8.1	173.1	-19.5	72.8	-105.9	0	0	113.9	A541	A541-E543 WeakPolarHBondContact CB-OE1 3.23Å; A541-E543 VanDerWaalsContact CB-OE2 3.31Å; A541-E543 WeakPolarHBondContact CB-OE2 3.44Å
544	R	82	Confident	79.4	Confident	43 Å²	43	38.9 Å²	38.9	16%	0.162	21%	0.207	C	C	.	.	G	3₁₀ helix	trans	-117.1	10.3	178.1	-59.7	-166.8	-85	101	9.6	112.9	V521 F522 A523 A539 A541 K542	V521-R544 PolarHBondContact O-NH1 3.03Å; F522-R544 WeakPolarHBondContact CA-O 3.37Å; F522-R544 HydrophobicContact CD1-CB 3.64Å; F522-R544 HydrophobicContact CD1-CG 3.91Å; F522-R544 HydrophobicContact CE1-CB 3.82Å; F522-R544 HydrophobicContact CE1-CG 3.51Å; F522-R544 HydrophobicContact CZ-CG 4.35Å; A523-R544 PolarHBondContact N-O 3.09Å; A539-R544 HydrophobicContact CB-CB 4.08Å; A539-R544 WeakPolarHBondContact CB-O 3.22Å; A539-R544 PolarHBondContact O-NH1 2.77Å; A539-R544 PolarHBondContact O-NH2 2.83Å; A541-R544 VanDerWaalsContact CB-NH2 3.33Å; A541-R544 PolarHBondContact O-N 2.66Å; K542-R544 PolarHBondContact O-N 3.09Å
545	V	85	Confident	78.5	Confident	10 Å²	10	40.7 Å²	40.7	6%	0.061	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	130.3	168.2	177.6	0	0	0	0	109	A523 E532 L535 I536 A539 K542	A523-V545 HydrophobicContact CB-CG2 4.47Å; A523-V545 CarbonylContact O-C 3.55Å; A523-V545 WeakPolarHBondContact O-CA 3.08Å; E532-V545 HydrophobicContact CG-CG1 4.19Å; L535-V545 HydrophobicContact CB-CG1 3.68Å; L535-V545 HydrophobicContact CB-CG2 4.12Å; L535-V545 HydrophobicContact CD1-CG1 4.12Å; L535-V545 WeakPolarHBondContact O-CG2 3.26Å; I536-V545 HydrophobicContact CB-CG2 4.42Å; I536-V545 HydrophobicContact CG1-CG2 3.82Å; A539-V545 HydrophobicContact CB-CG2 3.77Å; K542-V545 PolarHBondContact O-N 3.33Å
546	F	84.7	Confident	77	Confident	22 Å²	22	44.9 Å²	44.9	10%	0.096	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	101.7	178.2	-62.3	-82.2	0	0	0	109.5	F522 A523 V524 G525 L558 L561 I562	F522-F546 AromaticContact CD1-CE2 3.85Å; F522-F546 HydrophobicContact CD1-CE2 3.85Å; F522-F546 HydrophobicContact CE1-CE2 4.38Å; A523-F546 PolarHBondContact O-N 2.72Å; V524-F546 CarbonylContact C-O 3.58Å; V524-F546 VanDerWaalsContact CA-O 3.29Å; V524-F546 WeakPolarHBondContact CA-O 3.38Å; V524-F546 HydrophobicContact CG2-CB 4.48Å; G525-F546 PolarHBondContact N-O 2.66Å; F546-L558 HydrophobicContact CB-CD1 3.69Å; F546-L558 HydrophobicContact CD1-CD1 4Å; F546-L558 HydrophobicContact CG-CD1 4Å; F546-L561 HydrophobicContact CE1-CB 3.89Å; F546-L561 HydrophobicContact CZ-CB 4.45Å; F546-I562 HydrophobicContact CD1-CG1 4.43Å; F546-I562 HydrophobicContact CD2-CD1 4.25Å; F546-I562 HydrophobicContact CD2-CG1 3.58Å; F546-I562 HydrophobicContact CE1-CG1 4.4Å; F546-I562 HydrophobicContact CE2-CB 4.35Å; F546-I562 HydrophobicContact CE2-CG1 3.52Å; F546-I562 HydrophobicContact CG-CG1 4.05Å; F546-I562 HydrophobicContact CZ-CG1 3.97Å
547	L	81.3	Confident	75.6	Confident	49 Å²	49	51 Å²	51	26%	0.257	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	138.3	169.2	-68.9	171.5	0	0	0	110.4	G525 E532 L535 R2597	G525-L547 WeakPolarHBondContact O-CA 3.47Å; E532-L547 HydrophobicContact CB-CD1 4.11Å; E532-L547 HydrophobicContact CG-CD1 3.85Å; E532-L547 HydrophobicContact CG-CG 4.45Å; L535-L547 HydrophobicContact CD1-CD2 3.52Å; L535-L547 HydrophobicContact CD1-CG 4.49Å; L547-R2597 VanDerWaalsContact O-CZ 3.3Å; L547-R2597 PolarHBondContact O-NH1 3.05Å
548	V	75.8	Confident	74.8	Confident	17 Å²	17	48.1 Å²	48.1	10%	0.103	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	121.8	-177.5	-166.2	0	0	0	0	107.4	V524 G525 V526 T527 D550 G553 L554 L558	V524-V548 HydrophobicContact CG1-CG2 3.98Å; G525-V548 PolarHBondContact O-N 2.79Å; V526-V548 CarbonylContact C-O 2.96Å; V526-V548 VanDerWaalsContact CA-O 3.27Å; V526-V548 WeakPolarHBondContact CA-O 3.16Å; T527-V548 PolarHBondContact N-O 2.92Å; V548-D550 WeakPolarHBondContact CG1-O 3.03Å; V548-G553 WeakPolarHBondContact CG1-O 3.29Å; V548-L554 HydrophobicContact CG2-CD2 4.39Å; V548-L558 HydrophobicContact CG2-CD1 4.06Å; V548-L558 HydrophobicContact CG2-CD2 3.72Å
549	K	71.6	Confident	74	Confident	27 Å²	27	50.2 Å²	50.2	12%	0.117	26%	0.257	C	S	.	.	S	Bend	trans	-68.9	-39	-174.2	-89.2	133.7	177.5	-161.5	0	114.2	T527 D528 K1493 P2595 G2596 Q2599	T527-K549 WeakPolarHBondContact CA-O 3.43Å; T527-K549 PolarHBondContact N-O 3.42Å; D528-K549 WeakPolarHBondContact OD1-CG 3.3Å; K549-K1493 HydrophobicContact CD-CB 4.47Å; K549-K1493 HydrophobicContact CD-CD 3.68Å; K549-K1493 HydrophobicContact CG-CD 4.21Å; K549-K1493 VanDerWaalsContact NZ-CD 3.33Å; K549-P2595 WeakPolarHBondContact CD-O 3.47Å; K549-G2596 WeakPolarHBondContact CD-O 3.08Å; K549-G2596 VanDerWaalsContact CE-O 3.27Å; K549-G2596 WeakPolarHBondContact CE-O 3.11Å; K549-G2596 PolarHBondContact NZ-O 3.04Å; K549-Q2599 VanDerWaalsContact NZ-CD 3.33Å
550	D	74	Confident	72.9	Confident	59 Å²	59	52 Å²	52	32%	0.316	27%	0.269	S	S	.	.	S	Bend	trans	-125.3	151.8	-177.2	-51.8	-29.9	0	0	0	110.3	V548 T552 G553	V548-D550 WeakPolarHBondContact CG1-O 3.03Å; D550-T552 VanDerWaalsContact CB-OG1 3.27Å; D550-T552 WeakPolarHBondContact CB-OG1 3.03Å; D550-T552 PolarHBondContact O-N 3.14Å; D550-G553 WeakPolarHBondContact O-CA 3.2Å; D550-G553 PolarHBondContact O-N 3.05Å
551	F	74.7	Confident	72.2	Confident	27 Å²	27	54 Å²	54	12%	0.118	27%	0.271	C	S	.	.	G	3₁₀ helix	trans	-62	-22.5	174.1	-66.4	-91.7	0	0	0	113.1	I397 V401 E405 I406 D500 V526 T527 G553 L554	I397-F551 HydrophobicContact CB-CZ 4.35Å; I397-F551 HydrophobicContact CG1-CE1 4.45Å; I397-F551 HydrophobicContact CG1-CZ 4.16Å; I397-F551 HydrophobicContact CG2-CE1 3.94Å; I397-F551 HydrophobicContact CG2-CZ 3.96Å; V401-F551 HydrophobicContact CG1-CB 3.55Å; V401-F551 HydrophobicContact CG1-CD1 3.73Å; V401-F551 HydrophobicContact CG1-CD2 3.46Å; V401-F551 VanDerWaalsContact CG1-CD2 3.46Å; V401-F551 HydrophobicContact CG1-CE1 4.28Å; V401-F551 HydrophobicContact CG1-CE2 4.02Å; V401-F551 HydrophobicContact CG1-CG 3.28Å; V401-F551 HydrophobicContact CG1-CZ 4.39Å; E405-F551 HydrophobicContact CB-CB 3.89Å; E405-F551 HydrophobicContact CG-CB 4.1Å; I406-F551 HydrophobicContact CD1-CD1 4.02Å; I406-F551 HydrophobicContact CD1-CE1 3.83Å; I406-F551 HydrophobicContact CG1-CD1 3.92Å; I406-F551 HydrophobicContact CG1-CE1 4.26Å; D500-F551 HydrophobicContact CB-CE1 4.4Å; D500-F551 HydrophobicContact CB-CZ 3.72Å; V526-F551 HydrophobicContact CB-CD1 4.18Å; V526-F551 HydrophobicContact CB-CE1 3.94Å; V526-F551 HydrophobicContact CB-CZ 4.25Å; V526-F551 HydrophobicContact CG1-CB 4.27Å; V526-F551 HydrophobicContact CG1-CD1 3.57Å; V526-F551 HydrophobicContact CG1-CD2 3.87Å; V526-F551 HydrophobicContact CG1-CE1 3.76Å; V526-F551 HydrophobicContact CG1-CE2 4.06Å; V526-F551 HydrophobicContact CG1-CG 3.63Å; V526-F551 HydrophobicContact CG1-CZ 4.01Å; V526-F551 HydrophobicContact CG2-CD1 4.47Å; V526-F551 HydrophobicContact CG2-CE1 4.42Å; T527-F551 HydrophobicContact CG2-CD2 4.3Å; T527-F551 HydrophobicContact CG2-CE2 3.7Å; T527-F551 HydrophobicContact CG2-CZ 4.37Å; F551-G553 VanDerWaalsContact C-N 3.3Å; F551-L554 HydrophobicContact CD1-CD1 4.44Å; F551-L554 WeakPolarHBondContact O-CB 3.39Å; F551-L554 WeakPolarHBondContact O-CG 3.2Å; F551-L554 PolarHBondContact O-N 3.1Å
552	T	70	Confident	71.7	Confident	78 Å²	78	53 Å²	53	48%	0.479	26%	0.263	S	S	.	.	G	3₁₀ helix	trans	-66.8	-29.7	171.6	48.9	0	0	0	0	112.6	D550 L554	D550-T552 VanDerWaalsContact CB-OG1 3.27Å; D550-T552 WeakPolarHBondContact CB-OG1 3.03Å; D550-T552 PolarHBondContact O-N 3.14Å; T552-L554 PolarHBondContact O-N 3.46Å
553	G	66.5	Low	71.1	Confident	20 Å²	20	48.7 Å²	48.7	21%	0.206	25%	0.245	C	C	.	.	G	3₁₀ helix	trans	-72.8	3.2	175.7	0	0	0	0	0	114.5	V548 D550 F551 D555	V548-G553 WeakPolarHBondContact CG1-O 3.29Å; D550-G553 WeakPolarHBondContact O-CA 3.2Å; D550-G553 PolarHBondContact O-N 3.05Å; F551-G553 VanDerWaalsContact C-N 3.3Å; G553-D555 PolarHBondContact O-N 3.48Å
554	L	73	Confident	70.6	Confident	1 Å²	1	46 Å²	46	1%	0.005	23%	0.231	C	C	.	.			trans	-73.1	67.4	166.4	-64.4	176.4	0	0	0	109.9	I406 F409 V524 V526 V548 F551 T552 L558	I406-L554 HydrophobicContact CG1-CD1 4.4Å; F409-L554 HydrophobicContact CB-CB 3.8Å; F409-L554 HydrophobicContact CB-CD1 4.17Å; F409-L554 HydrophobicContact CD2-CB 3.72Å; F409-L554 WeakPolarHBondContact CD2-O 3.49Å; F409-L554 HydrophobicContact CE2-CB 4.44Å; F409-L554 HydrophobicContact CG-CB 3.77Å; F409-L554 HydrophobicContact CG-CD1 4.35Å; F409-L554 HydrophobicContact CG-CG 4.44Å; V524-L554 HydrophobicContact CG1-CD2 3.98Å; V526-L554 HydrophobicContact CG2-CD2 4.02Å; V548-L554 HydrophobicContact CG2-CD2 4.39Å; F551-L554 HydrophobicContact CD1-CD1 4.44Å; F551-L554 WeakPolarHBondContact O-CB 3.39Å; F551-L554 WeakPolarHBondContact O-CG 3.2Å; F551-L554 PolarHBondContact O-N 3.1Å; T552-L554 PolarHBondContact O-N 3.46Å; L554-L558 HydrophobicContact CD2-CD2 3.61Å
555	D	67.3	Low	69.6	Low	63 Å²	63	45.6 Å²	45.6	34%	0.337	24%	0.237	S	C	.	.			trans	-106.2	-174.2	-160.5	92.7	-49	0	0	0	114.5	G553 R557 L558 R559	G553-D555 PolarHBondContact O-N 3.48Å; D555-R557 VanDerWaalsContact CG-N 3.25Å; D555-R557 WeakPolarHBondContact OD1-CB 3.37Å; D555-R557 PolarHBondContact OD1-N 3.46Å; D555-R557 VanDerWaalsContact OD1-N 3.17Å; D555-R557 VanDerWaalsContact OD2-CB 3.24Å; D555-R557 WeakPolarHBondContact OD2-CB 3.07Å; D555-R557 PolarHBondContact OD2-N 3.46Å; D555-L558 WeakPolarHBondContact OD1-CB 3.21Å; D555-L558 PolarHBondContact OD1-N 3.24Å; D555-R559 WeakPolarHBondContact O-CB 3.45Å; D555-R559 PolarHBondContact O-N 3.38Å
556	V	58	Low	68.5	Low	89 Å²	89	45.7 Å²	45.7	54%	0.539	24%	0.239	S	C	.	.	H	α-helix	trans	-67.3	-33.3	178.3	-177.4	0	0	0	0	112.1	S560	V556-S560 WeakPolarHBondContact O-CB 3.34Å; V556-S560 PolarHBondContact O-N 3.04Å; V556-S560 PolarHBondContact O-OG 2.88Å
557	R	58	Low	67.2	Low	187 Å²	187	45.1 Å²	45.1	71%	0.706	24%	0.237	S	C	*	.	H	α-helix	trans	-69.8	-48.8	177.7	-167.1	174.6	-175.8	168.5	1.3	110.8	D555 R559 S560 L561	D555-R557 VanDerWaalsContact CG-N 3.25Å; D555-R557 WeakPolarHBondContact OD1-CB 3.37Å; D555-R557 PolarHBondContact OD1-N 3.46Å; D555-R557 VanDerWaalsContact OD1-N 3.17Å; D555-R557 VanDerWaalsContact OD2-CB 3.24Å; D555-R557 WeakPolarHBondContact OD2-CB 3.07Å; D555-R557 PolarHBondContact OD2-N 3.46Å; R557-R559 PolarHBondContact O-N 2.87Å; R557-S560 PolarHBondContact O-N 2.85Å; R557-L561 HydrophobicContact CG-CD1 4.45Å; R557-L561 WeakPolarHBondContact O-CG 3.03Å; R557-L561 PolarHBondContact O-N 3.42Å
558	L	67.6	Low	65.6	Low	11 Å²	11	46.3 Å²	46.3	6%	0.058	25%	0.248	C	C	.	.	H	α-helix	trans	-57.5	-48.1	173.5	-179	71.4	0	0	0	111.5	F409 V524 F546 V548 L554 D555 S560 L561 I562	F409-L558 HydrophobicContact CE2-CD2 4.13Å; F409-L558 HydrophobicContact CZ-CD2 4.34Å; V524-L558 HydrophobicContact CG1-CD2 4.42Å; F546-L558 HydrophobicContact CB-CD1 3.69Å; F546-L558 HydrophobicContact CD1-CD1 4Å; F546-L558 HydrophobicContact CG-CD1 4Å; V548-L558 HydrophobicContact CG2-CD1 4.06Å; V548-L558 HydrophobicContact CG2-CD2 3.72Å; L554-L558 HydrophobicContact CD2-CD2 3.61Å; D555-L558 WeakPolarHBondContact OD1-CB 3.21Å; D555-L558 PolarHBondContact OD1-N 3.24Å; L558-S560 VanDerWaalsContact C-N 3.27Å; L558-S560 PolarHBondContact O-N 2.75Å; L558-L561 PolarHBondContact O-N 3.03Å; L558-I562 HydrophobicContact CD1-CD1 4.02Å; L558-I562 HydrophobicContact CD1-CG1 4.44Å; L558-I562 HydrophobicContact CD2-CD1 4.44Å; L558-I562 HydrophobicContact CG-CD1 3.85Å; L558-I562 WeakPolarHBondContact O-CG1 3.13Å; L558-I562 PolarHBondContact O-N 3.36Å
559	R	70.8	Confident	63.8	Low	46 Å²	46	50 Å²	50	17%	0.174	27%	0.273	C	S	.	.	H	α-helix	trans	-52.4	-46.2	174.9	177.4	179.6	77.2	156.3	1.5	111.5	F409 D412 F413 L416 D555 R557 Q563	F409-R559 HydrophobicContact CE2-CB 4.35Å; D412-R559 VanDerWaalsContact O-CD 3.28Å; D412-R559 WeakPolarHBondContact O-CD 3.26Å; D412-R559 PolarHBondContact O-NH1 3.32Å; F413-R559 HydrophobicContact CB-CG 4.49Å; F413-R559 HydrophobicContact CD2-CB 4.2Å; F413-R559 HydrophobicContact CD2-CG 3.72Å; F413-R559 HydrophobicContact CE2-CG 4.23Å; F413-R559 HydrophobicContact CG-CG 4.39Å; L416-R559 HydrophobicContact CD1-CG 3.45Å; L416-R559 VanDerWaalsContact CD1-CG 3.45Å; L416-R559 HydrophobicContact CG-CG 4.46Å; D555-R559 WeakPolarHBondContact O-CB 3.45Å; D555-R559 PolarHBondContact O-N 3.38Å; R557-R559 PolarHBondContact O-N 2.87Å; R559-Q563 WeakPolarHBondContact O-CB 3.45Å; R559-Q563 PolarHBondContact O-N 2.76Å
560	S	62.1	Low	62.1	Low	36 Å²	36	55.1 Å²	55.1	25%	0.252	31%	0.305	S	S	.	.	H	α-helix	trans	-71.2	-35.4	-178.8	-54.9	0	0	0	0	113	V556 R557 L558 Q563 K564	V556-S560 WeakPolarHBondContact O-CB 3.34Å; V556-S560 PolarHBondContact O-N 3.04Å; V556-S560 PolarHBondContact O-OG 2.88Å; R557-S560 PolarHBondContact O-N 2.85Å; L558-S560 VanDerWaalsContact C-N 3.27Å; L558-S560 PolarHBondContact O-N 2.75Å; S560-Q563 PolarHBondContact O-N 2.78Å; S560-K564 WeakPolarHBondContact O-CB 3.2Å; S560-K564 PolarHBondContact O-N 2.53Å
561	L	65	Low	60.1	Low	78 Å²	78	56.5 Å²	56.5	41%	0.408	32%	0.316	S	S	.	.	H	α-helix	trans	-68.1	-46	176.2	-72.3	169.9	0	0	0	112.3	F546 R557 L558 Q563 K564 A565	F546-L561 HydrophobicContact CE1-CB 3.89Å; F546-L561 HydrophobicContact CZ-CB 4.45Å; R557-L561 HydrophobicContact CG-CD1 4.45Å; R557-L561 WeakPolarHBondContact O-CG 3.03Å; R557-L561 PolarHBondContact O-N 3.42Å; L558-L561 PolarHBondContact O-N 3.03Å; L561-Q563 VanDerWaalsContact C-N 3.3Å; L561-Q563 PolarHBondContact O-N 3.11Å; L561-K564 PolarHBondContact O-N 3.33Å; L561-A565 PolarHBondContact O-N 3.36Å
562	I	69.1	Low	58	Low	0 Å²	0	64.4 Å²	64.4	0%	0	35%	0.353	C	S	.	.	H	α-helix	trans	-64.1	-38.3	175.1	-61.9	163.9	0	0	0	109.9	F409 F413 I496 F522 V524 F546 L558 A565 A566	F409-I562 HydrophobicContact CZ-CD1 4.19Å; F413-I562 HydrophobicContact CE2-CB 3.84Å; F413-I562 HydrophobicContact CE2-CG2 3.77Å; F413-I562 HydrophobicContact CZ-CB 4.21Å; F413-I562 HydrophobicContact CZ-CG2 3.7Å; I496-I562 HydrophobicContact CD1-CG2 3.81Å; I496-I562 HydrophobicContact CG1-CG2 4.35Å; F522-I562 HydrophobicContact CG-CG2 4.46Å; V524-I562 HydrophobicContact CG2-CD1 3.85Å; F546-I562 HydrophobicContact CD1-CG1 4.43Å; F546-I562 HydrophobicContact CD2-CD1 4.25Å; F546-I562 HydrophobicContact CD2-CG1 3.58Å; F546-I562 HydrophobicContact CE1-CG1 4.4Å; F546-I562 HydrophobicContact CE2-CB 4.35Å; F546-I562 HydrophobicContact CE2-CG1 3.52Å; F546-I562 HydrophobicContact CG-CG1 4.05Å; F546-I562 HydrophobicContact CZ-CG1 3.97Å; L558-I562 HydrophobicContact CD1-CD1 4.02Å; L558-I562 HydrophobicContact CD1-CG1 4.44Å; L558-I562 HydrophobicContact CD2-CD1 4.44Å; L558-I562 HydrophobicContact CG-CD1 3.85Å; L558-I562 WeakPolarHBondContact O-CG1 3.13Å; L558-I562 PolarHBondContact O-N 3.36Å; I562-A565 PolarHBondContact O-N 2.78Å; I562-A566 WeakPolarHBondContact O-CB 3.29Å; I562-A566 PolarHBondContact O-N 3.07Å
563	Q	65.6	Low	56.1	Low	23 Å²	23	67.1 Å²	67.1	11%	0.107	36%	0.361	C	S	.	.	H	α-helix	trans	-61.7	-46.6	173	-169.3	-171.1	22.5	0	0	112	T378 F417 R559 S560 L561 A565 A566 C567	T378-Q563 PolarHBondContact OG1-NE2 2.79Å; F417-Q563 HydrophobicContact CZ-CG 4.33Å; R559-Q563 WeakPolarHBondContact O-CB 3.45Å; R559-Q563 PolarHBondContact O-N 2.76Å; S560-Q563 PolarHBondContact O-N 2.78Å; L561-Q563 VanDerWaalsContact C-N 3.3Å; L561-Q563 PolarHBondContact O-N 3.11Å; Q563-A565 VanDerWaalsContact C-N 3.29Å; Q563-A565 PolarHBondContact O-N 2.97Å; Q563-A566 PolarHBondContact O-N 3.38Å; Q563-C567 VanDerWaalsContact O-CB 3.23Å; Q563-C567 WeakPolarHBondContact O-CB 3.03Å; Q563-C567 PolarHBondContact O-N 3.37Å; Q563-C567 VanDerWaalsContact O-N 3.15Å; Q563-C567 PolarHBondContact O-SG 3.22Å
564	K	60.4	Low	54.2	Low	79 Å²	79	79 Å²	79	34%	0.343	40%	0.399	S	S	.	.	H	α-helix	trans	-56.6	-40	176	168.9	158.2	175.5	166.9	0	111.9	Y359 I376 S560 L561	Y359-K564 PolarHBondContact OH-NZ 2.8Å; I376-K564 HydrophobicContact CD1-CD 3.54Å; I376-K564 HydrophobicContact CD1-CG 3.72Å; I376-K564 HydrophobicContact CG1-CD 4.12Å; S560-K564 WeakPolarHBondContact O-CB 3.2Å; S560-K564 PolarHBondContact O-N 2.53Å; L561-K564 PolarHBondContact O-N 3.33Å
565	A	61.4	Low	52	Low	35 Å²	35	84 Å²	84	29%	0.289	44%	0.435	S	S	.	.	H	α-helix	trans	-81.1	-30.8	178.6	0	0	0	0	0	114	F522 L561 I562 Q563 C567	F522-A565 HydrophobicContact CE1-CB 3.54Å; F522-A565 HydrophobicContact CZ-CB 3.93Å; L561-A565 PolarHBondContact O-N 3.36Å; I562-A565 PolarHBondContact O-N 2.78Å; Q563-A565 VanDerWaalsContact C-N 3.29Å; Q563-A565 PolarHBondContact O-N 2.97Å; A565-C567 VanDerWaalsContact C-N 3.29Å; A565-C567 PolarHBondContact O-N 2.79Å
566	A	62.1	Low	50.2	Low	12 Å²	12	93.2 Å²	93.2	10%	0.099	47%	0.465	C	S	.	.	H	α-helix	trans	-76.7	-12.9	177.5	0	0	0	0	0	113.9	V494 F522 I562 Q563	V494-A566 HydrophobicContact CG1-CB 4.35Å; F522-A566 HydrophobicContact CE2-CB 3.78Å; F522-A566 HydrophobicContact CZ-CB 3.98Å; I562-A566 WeakPolarHBondContact O-CB 3.29Å; I562-A566 PolarHBondContact O-N 3.07Å; Q563-A566 PolarHBondContact O-N 3.38Å
567	C	58	Low	48.8	Very low	10 Å²	10	94 Å²	94	7%	0.068	48%	0.481	C	S	.	.	S	Bend	trans	-133.4	67.4	-169	-62.6	0	0	0	0	113.1	C380 Q563 A565	C380-C567 HydrophobicContact CB-CB 3.45Å; C380-C567 VanDerWaalsContact CB-CB 3.45Å; C380-C567 WeakPolarHBondContact CB-SG 3.1Å; C380-C567 WeakPolarHBondContact SG-CB 3.26Å; C380-C567 CovalentContact SG-SG 2.02Å; C380-C567 PolarHBondContact SG-SG 2.87Å; Q563-C567 VanDerWaalsContact O-CB 3.23Å; Q563-C567 WeakPolarHBondContact O-CB 3.03Å; Q563-C567 PolarHBondContact O-N 3.37Å; Q563-C567 VanDerWaalsContact O-N 3.15Å; Q563-C567 PolarHBondContact O-SG 3.22Å; A565-C567 VanDerWaalsContact C-N 3.29Å; A565-C567 PolarHBondContact O-N 2.79Å
568	P	47.2	Very low	47.7	Very low	75 Å²	75	89.8 Å²	89.8	49%	0.487	48%	0.48	S	S	.	.	P	Polyproline II helix	trans	-64.2	151.7	178.6	27.6	-35.2	0	0	0	112.9
569	P	37.5	Very low	46.6	Very low	95 Å²	95	97.8 Å²	97.8	62%	0.617	52%	0.517	S	S	*	.	P	Polyproline II helix	trans	-73.1	154.7	179.5	31	-35.7	0	0	0	112.7
570	V	35.6	Very low	45.8	Very low	133 Å²	133	96.1 Å²	96.1	81%	0.806	51%	0.513	S	S	*	.	P	Polyproline II helix	trans	-85.4	129.1	171.5	-178.9	0	0	0	0	109.2
571	T	33.2	Very low	45.2	Very low	89 Å²	89	97.1 Å²	97.1	55%	0.546	52%	0.52	S	S	.	.	P	Polyproline II helix	trans	-102.2	126.7	175.2	43.6	0	0	0	0	111	P823	T571-P823 HydrophobicContact CG2-CB 4.09Å; T571-P823 HydrophobicContact CG2-CG 4.19Å
572	E	30.6	Very low	44.5	Very low	192 Å²	192	98.2 Å²	98.2	90%	0.897	53%	0.53	S	S	*	.	P	Polyproline II helix	trans	-97.5	135.8	167.1	-70.3	-158.7	135.7	0	0	110.5
573	E	28.9	Very low	43.6	Very low	136 Å²	136	104.9 Å²	104.9	64%	0.636	57%	0.565	S	S	*	*	P	Polyproline II helix	trans	-81.4	146.6	-179.1	-64.4	179.9	146.8	0	0	112.3	S575 K819	E573-S575 PolarHBondContact O-N 2.78Å; E573-K819 IonicContact OE1-NZ 2.81Å
574	W	26.7	Very low	42.7	Very low	268 Å²	268	110.6 Å²	110.6	100%	1.015	59%	0.592	S	S	*	*	P	Polyproline II helix	trans	-50.1	120.4	173.5	-101.8	-2.3	0	0	0	113.3
575	S	27.4	Very low	41.9	Very low	107 Å²	107	112 Å²	112	75%	0.748	61%	0.609	S	S	*	*			trans	-156.9	46.3	171	55.8	0	0	0	0	116.5	E573	E573-S575 PolarHBondContact O-N 2.78Å
576	R	28.9	Very low	41.3	Very low	256 Å²	256	117.1 Å²	117.1	97%	0.966	63%	0.632	S	S	*	*			trans	-166.6	101.5	160	-108.9	150.5	-177.1	175	0.1	114.2
577	A	29.3	Very low	41	Very low	107 Å²	107	118.4 Å²	118.4	88%	0.884	64%	0.643	S	S	*	*			trans	-150.2	43.6	167.3	0	0	0	0	0	111.2
578	S	34.6	Very low	41.1	Very low	97 Å²	97	118.4 Å²	118.4	68%	0.678	64%	0.643	S	S	*	*	S	Bend	trans	-160.2	51.3	-173.4	65.1	0	0	0	0	113.9
579	Q	44.5	Very low	41.9	Very low	179 Å²	179	118.4 Å²	118.4	84%	0.836	64%	0.638	S	S	*	*			trans	-170	96.5	167.1	-107.9	140.2	94.3	0	0	111.2
580	C	54.8	Low	43.1	Very low	12 Å²	12	116.3 Å²	116.3	8%	0.081	63%	0.629	C	S	.	*			trans	-120.7	154.1	149.1	78.9	0	0	0	0	108.6	A587 C596 F604	C580-A587 HydrophobicContact CB-CB 3.99Å; C580-C596 VanDerWaalsContact C-SG 3.53Å; C580-C596 HydrophobicContact CB-CB 3.88Å; C580-C596 WeakPolarHBondContact CB-SG 3.07Å; C580-C596 WeakPolarHBondContact SG-CB 3.29Å; C580-C596 CovalentContact SG-SG 2.05Å; C580-C596 PolarHBondContact SG-SG 3.12Å; C580-F604 WeakPolarHBondContact O-CB 3.15Å
581	S	49.1	Very low	44.3	Very low	57 Å²	57	113.7 Å²	113.7	40%	0.399	62%	0.616	S	S	.	*			trans	-148.4	145.6	-173.7	-175	0	0	0	0	110.7	D583 E584	S581-D583 PolarHBondContact O-N 3.41Å; S581-D583 VanDerWaalsContact O-N 3.12Å; S581-E584 PolarHBondContact O-N 3.04Å
582	T	49.3	Very low	46	Very low	101 Å²	101	113 Å²	113	62%	0.62	61%	0.606	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.6	-7.9	-173.5	52.1	0	0	0	0	115.1	F604	T582-F604 HydrophobicContact CG2-CD1 4.25Å; T582-F604 HydrophobicContact CG2-CE1 3.6Å; T582-F604 HydrophobicContact CG2-CZ 4.15Å
583	D	51.4	Low	48	Very low	140 Å²	140	104 Å²	104	75%	0.749	56%	0.564	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.1	-10.9	-177.1	-62.3	-32.8	0	0	0	113.7	S581	S581-D583 PolarHBondContact O-N 3.41Å; S581-D583 VanDerWaalsContact O-N 3.12Å
584	E	45.7	Very low	50.1	Low	143 Å²	143	98.4 Å²	98.4	67%	0.668	54%	0.538	S	S	*	.			trans	-132	107.2	179.3	-68.8	-169.8	153.3	0	0	111.3	S581 N586 A587	S581-E584 PolarHBondContact O-N 3.04Å; E584-N586 PolarHBondContact O-N 2.63Å; E584-A587 PolarHBondContact O-N 3.39Å
585	P	44.4	Very low	52.3	Low	109 Å²	109	88.6 Å²	88.6	71%	0.708	50%	0.504	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-9.8	-172.5	-26.5	35.4	0	0	0	117
586	N	48.3	Very low	54.4	Low	141 Å²	141	85.5 Å²	85.5	75%	0.754	48%	0.482	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.8	18.5	-171.7	-59.6	9	0	0	0	112.4	E584 C588	E584-N586 PolarHBondContact O-N 2.63Å; N586-C588 VanDerWaalsContact C-N 3.33Å
587	A	54.7	Low	56.2	Low	40 Å²	40	74.5 Å²	74.5	33%	0.331	44%	0.444	S	S	.	.	S	Bend	trans	-80.1	-12.7	-178.5	0	0	0	0	0	114.2	C580 E584	C580-A587 HydrophobicContact CB-CB 3.99Å; E584-A587 PolarHBondContact O-N 3.39Å
588	C	60.3	Low	57.6	Low	10 Å²	10	76 Å²	76	7%	0.068	43%	0.431	C	S	.	.	S	Bend	trans	-103.8	155.3	165.1	-63	0	0	0	0	109.6	N586 A590 E594 C606	N586-C588 VanDerWaalsContact C-N 3.33Å; C588-A590 PolarHBondContact O-N 2.71Å; C588-E594 HydrophobicContact CB-CB 4.21Å; C588-E594 VanDerWaalsContact CB-O 3.27Å; C588-E594 WeakPolarHBondContact CB-O 3.08Å; C588-C606 WeakPolarHBondContact CA-SG 3.22Å; C588-C606 HydrophobicContact CB-CB 3.78Å; C588-C606 WeakPolarHBondContact CB-SG 3.28Å; C588-C606 VanDerWaalsContact SG-CA 3.52Å; C588-C606 WeakPolarHBondContact SG-CB 3.3Å; C588-C606 CovalentContact SG-SG 2.04Å; C588-C606 PolarHBondContact SG-SG 3.12Å
589	D	64.9	Low	58.4	Low	75 Å²	75	75.2 Å²	75.2	40%	0.401	42%	0.422	S	S	.	.			trans	-71.6	103.1	-176	-172.4	-11	0	0	0	111.2	S591 K592 N593	D589-S591 PolarHBondContact O-N 2.83Å; D589-S591 VanDerWaalsContact O-N 3.14Å; D589-S591 WeakPolarHBondContact OD1-CB 3.2Å; D589-S591 PolarHBondContact OD1-N 3.03Å; D589-S591 PolarHBondContact OD1-OG 2.85Å; D589-S591 PolarHBondContact OD2-OG 2.83Å; D589-K592 HydrophobicContact CB-CB 4.39Å; D589-K592 HydrophobicContact CB-CD 4.19Å; D589-K592 HydrophobicContact CB-CG 4.17Å; D589-K592 WeakPolarHBondContact O-CA 3.05Å; D589-K592 PolarHBondContact O-N 3.4Å; D589-K592 WeakPolarHBondContact OD2-CE 3.22Å; D589-N593 PolarHBondContact O-N 2.7Å
590	A	62.3	Low	58.2	Low	51 Å²	51	71.7 Å²	71.7	42%	0.421	42%	0.417	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-16.9	179.7	0	0	0	0	0	113.6	C588 K592 Y645	C588-A590 PolarHBondContact O-N 2.71Å; A590-K592 VanDerWaalsContact C-N 3.25Å; A590-Y645 HydrophobicContact CB-CD1 4.48Å
591	S	61.2	Low	57.3	Low	77 Å²	77	80.6 Å²	80.6	54%	0.538	46%	0.457	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-21.1	171.5	73.3	0	0	0	0	112.8	D589	D589-S591 PolarHBondContact O-N 2.83Å; D589-S591 VanDerWaalsContact O-N 3.14Å; D589-S591 WeakPolarHBondContact OD1-CB 3.2Å; D589-S591 PolarHBondContact OD1-N 3.03Å; D589-S591 PolarHBondContact OD1-OG 2.85Å; D589-S591 PolarHBondContact OD2-OG 2.83Å
592	K	68	Low	57.3	Low	76 Å²	76	79.9 Å²	79.9	33%	0.33	46%	0.459	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.1	1.2	178.7	-58.3	-174.9	-176.1	-173	0	114.2	D589 A590 E594 C621	D589-K592 HydrophobicContact CB-CB 4.39Å; D589-K592 HydrophobicContact CB-CD 4.19Å; D589-K592 HydrophobicContact CB-CG 4.17Å; D589-K592 WeakPolarHBondContact O-CA 3.05Å; D589-K592 PolarHBondContact O-N 3.4Å; D589-K592 WeakPolarHBondContact OD2-CE 3.22Å; A590-K592 VanDerWaalsContact C-N 3.25Å; K592-E594 HydrophobicContact CB-CG 3.81Å; K592-E594 WeakPolarHBondContact CB-OE1 3.07Å; K592-E594 WeakPolarHBondContact CD-OE1 2.96Å; K592-E594 PolarHBondContact O-N 3.23Å; K592-C621 PolarHBondContact O-N 3.21Å
593	N	73.9	Confident	57.3	Low	2 Å²	2	82.9 Å²	82.9	1%	0.011	46%	0.464	C	S	.	.	T	Hydrogen-bonded Turn	trans	58.2	21.5	-178.3	-64.4	-17.7	0	0	0	115.1	D589 I620 C621 T643 Y645 N647 R649	D589-N593 PolarHBondContact O-N 2.7Å; N593-I620 HydrophobicContact CB-CG2 4.38Å; N593-C621 HydrophobicContact CB-CB 3.99Å; N593-C621 PolarHBondContact ND2-O 2.85Å; N593-T643 WeakPolarHBondContact ND2-CG2 3.41Å; N593-Y645 HydrophobicContact CB-CD2 4.3Å; N593-N647 PolarHBondContact ND2-ND2 2.87Å; N593-N647 PolarHBondContact OD1-ND2 2.77Å; N593-R649 WeakPolarHBondContact ND2-CD 3.47Å; N593-R649 PolarHBondContact ND2-NE 2.93Å
594	E	72.4	Confident	57.6	Low	19 Å²	19	79.3 Å²	79.3	9%	0.089	44%	0.442	C	S	.	.			trans	-81.7	136.8	-178	-57.7	178.4	-154.8	0	0	112.1	C588 K592 C606 D607 R614 Y645	C588-E594 HydrophobicContact CB-CB 4.21Å; C588-E594 VanDerWaalsContact CB-O 3.27Å; C588-E594 WeakPolarHBondContact CB-O 3.08Å; K592-E594 HydrophobicContact CB-CG 3.81Å; K592-E594 WeakPolarHBondContact CB-OE1 3.07Å; K592-E594 WeakPolarHBondContact CD-OE1 2.96Å; K592-E594 PolarHBondContact O-N 3.23Å; E594-C606 HydrophobicContact CB-CB 4.12Å; E594-C606 WeakPolarHBondContact OE2-CB 3.49Å; E594-D607 CarbonylContact C-O 3.35Å; E594-R614 IonicContact OE1-CZ 3.67Å; E594-R614 IonicContact OE1-NH1 3.84Å; E594-R614 PolarHBondContact OE1-NH1 2.98Å; E594-R614 IonicContact OE1-NH2 2.66Å; E594-R614 PolarHBondContact OE1-NH2 3.03Å; E594-R614 IonicContact OE2-CZ 3.26Å; E594-R614 IonicContact OE2-NH1 2.75Å; E594-R614 IonicContact OE2-NH2 3.22Å; E594-R614 PolarHBondContact OE2-NH2 3.06Å; E594-Y645 PolarHBondContact O-OH 3.13Å; E594-Y645 VanDerWaalsContact O-OH 3.04Å
595	M	72.1	Confident	58.4	Low	61 Å²	61	75.8 Å²	75.8	30%	0.3	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	150.3	174.3	72.1	171.2	-167.9	0	0	112.3	S597 C606 D607 P609	M595-S597 PolarHBondContact O-N 2.7Å; M595-S597 VanDerWaalsContact O-N 3.11Å; M595-C606 WeakPolarHBondContact O-CA 3.06Å; M595-D607 PolarHBondContact N-O 3.07Å; M595-D607 PolarHBondContact O-N 3.29Å; M595-D607 VanDerWaalsContact O-O 3.06Å; M595-P609 HydrophobicContact CG-CG 4.46Å; M595-P609 HydrophobicContact SD-CB 4.27Å; M595-P609 HydrophobicContact SD-CG 4.48Å
596	C	73.2	Confident	59.8	Low	43 Å²	43	72.2 Å²	72.2	29%	0.291	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	94.7	-180	-172.1	0	0	0	0	110.8	C580 V605	C580-C596 VanDerWaalsContact C-SG 3.53Å; C580-C596 HydrophobicContact CB-CB 3.88Å; C580-C596 WeakPolarHBondContact CB-SG 3.07Å; C580-C596 WeakPolarHBondContact SG-CB 3.29Å; C580-C596 CovalentContact SG-SG 2.05Å; C580-C596 PolarHBondContact SG-SG 3.12Å; C596-V605 CarbonylContact C-O 3.15Å; C596-V605 WeakPolarHBondContact CA-O 3.28Å
597	S	65.5	Low	61	Low	24 Å²	24	69 Å²	69	17%	0.168	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	161.6	177.2	86.5	0	0	0	0	111.6	M595 F604 V605 D607	M595-S597 PolarHBondContact O-N 2.7Å; M595-S597 VanDerWaalsContact O-N 3.11Å; S597-F604 WeakPolarHBondContact O-CA 3.45Å; S597-V605 PolarHBondContact N-O 2.84Å; S597-V605 PolarHBondContact O-N 2.85Å; S597-D607 WeakPolarHBondContact OG-CB 3.45Å
598	K	59.6	Low	62.2	Low	138 Å²	138	68 Å²	68	60%	0.6	38%	0.38	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120	103.4	-178	-173	-171.5	175.5	-175.3	0	111.5	F604	K598-F604 HydrophobicContact CB-CD1 3.86Å; K598-F604 HydrophobicContact CB-CE1 3.85Å; K598-F604 HydrophobicContact CD-CE1 3.84Å; K598-F604 HydrophobicContact CD-CZ 4.15Å; K598-F604 HydrophobicContact CG-CD1 3.98Å; K598-F604 HydrophobicContact CG-CE1 3.76Å; K598-F604 HydrophobicContact CG-CZ 4.35Å
599	V	50.8	Low	62.7	Low	82 Å²	82	68 Å²	68	50%	0.497	38%	0.38	S	S	.	.			trans	-80.6	163.3	168.3	-164.3	0	0	0	0	109.4
600	S	40.2	Very low	62.8	Low	105 Å²	105	71.9 Å²	71.9	73%	0.734	40%	0.401	S	S	*	.	G	3₁₀ helix	trans	-49.6	141.8	-166	46	0	0	0	0	116	G602	S600-G602 VanDerWaalsContact C-N 3.34Å; S600-G602 PolarHBondContact O-N 3.44Å
601	E	36	Very low	63	Low	199 Å²	199	72 Å²	72	93%	0.93	41%	0.407	S	S	*	.	G	3₁₀ helix	trans	48.9	38.2	174.6	-62.9	-128.4	134.5	0	0	117.8
602	G	49.3	Very low	63.7	Low	42 Å²	42	69.3 Å²	69.3	43%	0.433	39%	0.386	S	S	.	.	G	3₁₀ helix	trans	107.9	8.8	149.9	0	0	0	0	0	116.7	S600	S600-G602 VanDerWaalsContact C-N 3.34Å; S600-G602 PolarHBondContact O-N 3.44Å
603	F	48.4	Very low	63.9	Low	163 Å²	163	69.9 Å²	69.9	72%	0.715	39%	0.389	S	S	*	.			trans	-83.4	147.2	159.9	-81.7	-99.2	0	0	0	110.8
604	F	58.1	Low	63.9	Low	65 Å²	65	74 Å²	74	29%	0.285	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	133.3	177.1	-67.4	-83.9	0	0	0	108.1	C580 T582 S597 K598	C580-F604 WeakPolarHBondContact O-CB 3.15Å; T582-F604 HydrophobicContact CG2-CD1 4.25Å; T582-F604 HydrophobicContact CG2-CE1 3.6Å; T582-F604 HydrophobicContact CG2-CZ 4.15Å; S597-F604 WeakPolarHBondContact O-CA 3.45Å; K598-F604 HydrophobicContact CB-CD1 3.86Å; K598-F604 HydrophobicContact CB-CE1 3.85Å; K598-F604 HydrophobicContact CD-CE1 3.84Å; K598-F604 HydrophobicContact CD-CZ 4.15Å; K598-F604 HydrophobicContact CG-CD1 3.98Å; K598-F604 HydrophobicContact CG-CE1 3.76Å; K598-F604 HydrophobicContact CG-CZ 4.35Å
605	V	63.6	Low	63.6	Low	70 Å²	70	74.8 Å²	74.8	42%	0.424	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	143.9	-170.9	173.2	0	0	0	0	108.9	C596 S597 D607	C596-V605 CarbonylContact C-O 3.15Å; C596-V605 WeakPolarHBondContact CA-O 3.28Å; S597-V605 PolarHBondContact N-O 2.84Å; S597-V605 PolarHBondContact O-N 2.85Å; V605-D607 PolarHBondContact O-N 3.48Å
606	C	73.9	Confident	63	Low	34 Å²	34	74.5 Å²	74.5	23%	0.23	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	116.3	171	-61.6	0	0	0	0	109.3	C588 E594 M595 R614	C588-C606 WeakPolarHBondContact CA-SG 3.22Å; C588-C606 HydrophobicContact CB-CB 3.78Å; C588-C606 WeakPolarHBondContact CB-SG 3.28Å; C588-C606 VanDerWaalsContact SG-CA 3.52Å; C588-C606 WeakPolarHBondContact SG-CB 3.3Å; C588-C606 CovalentContact SG-SG 2.04Å; C588-C606 PolarHBondContact SG-SG 3.12Å; E594-C606 HydrophobicContact CB-CB 4.12Å; E594-C606 WeakPolarHBondContact OE2-CB 3.49Å; M595-C606 WeakPolarHBondContact O-CA 3.06Å; C606-R614 PolarHBondContact O-NH2 3.19Å
607	D	73.2	Confident	62.2	Low	74 Å²	74	76.7 Å²	76.7	40%	0.396	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	168.1	-170.4	-159.4	2.2	0	0	0	109.6	E594 M595 S597 V605	E594-D607 CarbonylContact C-O 3.35Å; M595-D607 PolarHBondContact N-O 3.07Å; M595-D607 PolarHBondContact O-N 3.29Å; M595-D607 VanDerWaalsContact O-O 3.06Å; S597-D607 WeakPolarHBondContact OG-CB 3.45Å; V605-D607 PolarHBondContact O-N 3.48Å
608	C	79.3	Confident	62.2	Low	18 Å²	18	79 Å²	79	12%	0.122	45%	0.446	C	S	.	.	P	Polyproline II helix	trans	-79.2	154.5	-177.4	-66.8	0	0	0	0	113.9	F612 R614 C621	C608-F612 WeakPolarHBondContact CB-O 3.08Å; C608-R614 WeakPolarHBondContact SG-CG 3.46Å; C608-C621 WeakPolarHBondContact CA-SG 3.49Å; C608-C621 HydrophobicContact CB-CB 3.78Å; C608-C621 WeakPolarHBondContact CB-SG 2.98Å; C608-C621 WeakPolarHBondContact SG-CB 3.01Å; C608-C621 CovalentContact SG-SG 2.04Å; C608-C621 PolarHBondContact SG-SG 2.98Å
609	P	70.3	Confident	62.6	Low	10 Å²	10	76.8 Å²	76.8	7%	0.065	44%	0.44	C	S	.	.	P	Polyproline II helix	trans	-62.8	148.4	167.3	-17.1	30.6	0	0	0	112	M595 G611 F612 P644	M595-P609 HydrophobicContact CG-CG 4.46Å; M595-P609 HydrophobicContact SD-CB 4.27Å; M595-P609 HydrophobicContact SD-CG 4.48Å; P609-G611 PolarHBondContact O-N 2.85Å; P609-F612 HydrophobicContact CB-CD2 4.04Å; P609-F612 PolarHBondContact O-N 2.95Å; P609-P644 HydrophobicContact CB-CG 3.71Å; P609-P644 VanDerWaalsContact CG-CD 3.46Å; P609-P644 HydrophobicContact CG-CG 3.51Å
610	D	67.7	Low	63.7	Low	156 Å²	156	74.3 Å²	74.3	83%	0.834	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.8	125.9	175.2	-62.3	-54.1	0	0	0	111
611	G	65.6	Low	65.6	Low	53 Å²	53	69.3 Å²	69.3	55%	0.546	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	85.9	2.2	-177.1	0	0	0	0	0	116	P609 I651	P609-G611 PolarHBondContact O-N 2.85Å; G611-I651 WeakPolarHBondContact O-CB 3.44Å; G611-I651 VanDerWaalsContact O-CG2 3.27Å; G611-I651 WeakPolarHBondContact O-CG2 3.17Å
612	F	77	Confident	67.3	Low	22 Å²	22	59.8 Å²	59.8	10%	0.096	34%	0.344	C	S	.	.			trans	-118.4	113.7	175.1	-68.6	-97.5	0	0	0	110.4	C608 P609 C621 K642 T643 I651	C608-F612 WeakPolarHBondContact CB-O 3.08Å; P609-F612 HydrophobicContact CB-CD2 4.04Å; P609-F612 PolarHBondContact O-N 2.95Å; F612-C621 HydrophobicContact CB-CB 4.28Å; F612-K642 VanDerWaalsContact CZ-O 3.24Å; F612-K642 WeakPolarHBondContact CZ-O 3.3Å; F612-T643 HydrophobicContact CD1-CG2 3.72Å; F612-T643 HydrophobicContact CE1-CG2 3.43Å; F612-T643 VanDerWaalsContact CE1-CG2 3.43Å; F612-T643 HydrophobicContact CZ-CG2 4.18Å; F612-I651 HydrophobicContact CB-CG2 4.38Å; F612-I651 HydrophobicContact CD1-CG2 3.24Å; F612-I651 HydrophobicContact CD2-CG2 4.41Å; F612-I651 HydrophobicContact CE1-CG2 3.37Å; F612-I651 HydrophobicContact CG-CG2 3.8Å; F612-I651 HydrophobicContact CZ-CG2 4.02Å
613	E	71.1	Confident	68.4	Low	87 Å²	87	58 Å²	58	41%	0.407	33%	0.325	S	S	.	.	P	Polyproline II helix	trans	-92.7	149.4	-179.5	-57.7	-169	142.8	0	0	111.9	H615 G622 R658	E613-H615 PolarHBondContact O-N 3.02Å; E613-G622 PolarHBondContact O-N 3.11Å; E613-R658 HydrophobicContact CB-CB 4.33Å; E613-R658 WeakPolarHBondContact OE2-CB 3.04Å; E613-R658 PolarHBondContact OE2-N 3.32Å
614	R	73.8	Confident	69.6	Low	90 Å²	90	54.5 Å²	54.5	34%	0.34	32%	0.317	S	S	.	.	B	Isolated β-bridge	trans	-66.1	119.8	175.2	-85	179.2	-168.4	-90.4	5.7	109.9	E594 C606 C608	E594-R614 IonicContact OE1-CZ 3.67Å; E594-R614 IonicContact OE1-NH1 3.84Å; E594-R614 PolarHBondContact OE1-NH1 2.98Å; E594-R614 IonicContact OE1-NH2 2.66Å; E594-R614 PolarHBondContact OE1-NH2 3.03Å; E594-R614 IonicContact OE2-CZ 3.26Å; E594-R614 IonicContact OE2-NH1 2.75Å; E594-R614 IonicContact OE2-NH2 3.22Å; E594-R614 PolarHBondContact OE2-NH2 3.06Å; C606-R614 PolarHBondContact O-NH2 3.19Å; C608-R614 WeakPolarHBondContact SG-CG 3.46Å
615	H	67.7	Low	70.5	Confident	34 Å²	34	56.8 Å²	56.8	16%	0.157	33%	0.332	C	S	.	.	P	Polyproline II helix	trans	-74.9	123.2	175.4	-171.3	-82.8	0	0	0	110.6	E613 A617 T618 N619 I620	E613-H615 PolarHBondContact O-N 3.02Å; H615-A617 PolarHBondContact O-N 3.03Å; H615-T618 WeakPolarHBondContact CB-OG1 3.43Å; H615-T618 PolarHBondContact O-N 3.06Å; H615-N619 PolarHBondContact O-N 3.48Å; H615-I620 PolarHBondContact N-O 2.63Å
616	P	59.1	Low	70.8	Confident	55 Å²	55	54.4 Å²	54.4	36%	0.357	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-43.2	-167.6	21	-31.6	0	0	0	113.2	T618	P616-T618 VanDerWaalsContact C-N 3.34Å; P616-T618 PolarHBondContact O-N 2.89Å
617	A	56.2	Low	70.5	Confident	89 Å²	89	56 Å²	56	74%	0.736	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.2	-17.4	-177.9	0	0	0	0	0	115.1	H615	H615-A617 PolarHBondContact O-N 3.03Å
618	T	64.6	Low	69.9	Low	74 Å²	74	55.4 Å²	55.4	45%	0.454	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-122.5	-15.5	-173	64.3	0	0	0	0	114.2	H615 P616 I620	H615-T618 WeakPolarHBondContact CB-OG1 3.43Å; H615-T618 PolarHBondContact O-N 3.06Å; P616-T618 VanDerWaalsContact C-N 3.34Å; P616-T618 PolarHBondContact O-N 2.89Å; T618-I620 PolarHBondContact O-N 3.28Å
619	N	68	Low	68.8	Low	90 Å²	90	62.9 Å²	62.9	48%	0.481	36%	0.358	S	S	.	.			trans	57.9	23.6	-174.3	-85.9	-78.2	0	0	0	115	H615	H615-N619 PolarHBondContact O-N 3.48Å
620	I	74.4	Confident	68	Low	30 Å²	30	65.5 Å²	65.5	15%	0.154	37%	0.373	C	S	.	.			trans	-101.5	145.9	175.8	-55.7	175.6	0	0	0	109.6	N593 H615 T618 G622 R649	N593-I620 HydrophobicContact CB-CG2 4.38Å; H615-I620 PolarHBondContact N-O 2.63Å; T618-I620 PolarHBondContact O-N 3.28Å; I620-G622 PolarHBondContact O-N 2.8Å; I620-R649 VanDerWaalsContact CG2-NE 3.35Å
621	C	79.4	Confident	67.1	Low	0 Å²	0	70 Å²	70	0%	0	38%	0.379	C	S	.	.	B	Isolated β-bridge	trans	-74.3	118.2	171.4	-59.5	0	0	0	0	111	K592 N593 C608 F612 R649	K592-C621 PolarHBondContact O-N 3.21Å; N593-C621 HydrophobicContact CB-CB 3.99Å; N593-C621 PolarHBondContact ND2-O 2.85Å; C608-C621 WeakPolarHBondContact CA-SG 3.49Å; C608-C621 HydrophobicContact CB-CB 3.78Å; C608-C621 WeakPolarHBondContact CB-SG 2.98Å; C608-C621 WeakPolarHBondContact SG-CB 3.01Å; C608-C621 CovalentContact SG-SG 2.04Å; C608-C621 PolarHBondContact SG-SG 2.98Å; F612-C621 HydrophobicContact CB-CB 4.28Å; C621-R649 WeakPolarHBondContact O-CD 3.45Å
622	G	73.5	Confident	66.4	Low	0 Å²	0	72.3 Å²	72.3	0%	0	38%	0.382	C	S	.	.	S	Bend	trans	86.2	153.7	-167.1	0	0	0	0	0	112.8	E613 I620 C650	E613-G622 PolarHBondContact O-N 3.11Å; I620-G622 PolarHBondContact O-N 2.8Å; G622-C650 CarbonylContact C-O 3.5Å; G622-C650 WeakPolarHBondContact CA-O 3.38Å
623	G	70.6	Confident	65.8	Low	3 Å²	3	72.7 Å²	72.7	3%	0.031	39%	0.388	C	S	.	.	S	Bend	trans	-71.6	-144.3	178.1	0	0	0	0	0	113.7	R649 C650	G623-R649 VanDerWaalsContact O-CD 3.3Å; G623-R649 WeakPolarHBondContact O-CD 3.29Å; G623-R649 PolarHBondContact O-NH1 2.03Å; G623-C650 PolarHBondContact N-O 2.8Å
624	V	74.9	Confident	65.7	Low	91 Å²	91	68.9 Å²	68.9	55%	0.552	37%	0.37	S	S	*	.	S	Bend	trans	-59.2	157.5	179.5	-64.3	0	0	0	0	112.6	R649 C650	V624-R649 VanDerWaalsContact O-CA 3.26Å; V624-R649 WeakPolarHBondContact O-CA 3.31Å; V624-C650 PolarHBondContact O-N 2.74Å; V624-C650 VanDerWaalsContact O-N 3.08Å
625	L	76.3	Confident	65.4	Low	113 Å²	113	67.4 Å²	67.4	59%	0.592	37%	0.372	S	S	*	.	B	Isolated β-bridge	trans	-67.7	130.2	171.6	-73.2	168.7	0	0	0	108.7	N647 Y648 R649	L625-N647 HydrophobicContact CD2-CB 4Å; L625-Y648 WeakPolarHBondContact CA-O 3.33Å; L625-Y648 WeakPolarHBondContact CD2-O 3.45Å; L625-R649 HydrophobicContact CD2-CG 3.94Å
626	C	70.5	Confident	65	Low	19 Å²	19	74.2 Å²	74.2	13%	0.128	40%	0.397	C	S	.	.			trans	-125.8	166.9	-171.1	64.5	0	0	0	0	112.3	S633 C634 C640 Y648 R649 C650	C626-S633 WeakPolarHBondContact CB-O 3.5Å; C626-C634 WeakPolarHBondContact CB-SG 3.23Å; C626-C640 HydrophobicContact CB-CB 3.79Å; C626-C640 WeakPolarHBondContact CB-SG 3.12Å; C626-C640 WeakPolarHBondContact SG-CA 2.92Å; C626-C640 WeakPolarHBondContact SG-CB 3.15Å; C626-C640 CovalentContact SG-SG 2.03Å; C626-C640 PolarHBondContact SG-SG 3.28Å; C626-Y648 PolarHBondContact N-O 3.5Å; C626-Y648 VanDerWaalsContact SG-C 3.55Å; C626-R649 VanDerWaalsContact SG-CA 3.51Å; C626-R649 PolarHBondContact SG-N 2.78Å; C626-R649 VanDerWaalsContact SG-N 3.4Å; C626-C650 VanDerWaalsContact CB-SG 3.59Å
627	N	66.9	Low	65	Low	67 Å²	67	72.5 Å²	72.5	36%	0.358	39%	0.386	S	S	.	.			trans	-112.3	112	175.3	-177.3	6.1	0	0	0	109.6	E629 V630 S633 C640	N627-E629 PolarHBondContact O-N 2.88Å; N627-E629 PolarHBondContact OD1-N 2.94Å; N627-V630 HydrophobicContact CB-CB 4.43Å; N627-V630 HydrophobicContact CB-CG2 4.45Å; N627-V630 PolarHBondContact O-N 2.84Å; N627-S633 PolarHBondContact N-OG 2.99Å; N627-S633 PolarHBondContact O-OG 2.91Å; N627-C640 VanDerWaalsContact C-SG 3.54Å
628	P	60.9	Low	65.9	Low	63 Å²	63	69.1 Å²	69.1	41%	0.409	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-11.4	-177.4	30.3	-40	0	0	0	114.1	Y648	P628-Y648 HydrophobicContact CB-CD1 4.04Å; P628-Y648 HydrophobicContact CB-CE1 4.06Å; P628-Y648 HydrophobicContact CG-CD1 3.81Å; P628-Y648 HydrophobicContact CG-CD2 4.05Å; P628-Y648 HydrophobicContact CG-CE1 3.68Å; P628-Y648 HydrophobicContact CG-CE2 3.92Å; P628-Y648 HydrophobicContact CG-CG 4Å
629	E	55.4	Low	66.4	Low	174 Å²	174	69.3 Å²	69.3	81%	0.813	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.1	-11	174.9	-61.6	174.9	175.6	0	0	112.8	N627	N627-E629 PolarHBondContact O-N 2.88Å; N627-E629 PolarHBondContact OD1-N 2.94Å
630	V	54	Low	67	Low	65 Å²	65	66.2 Å²	66.2	39%	0.394	34%	0.341	S	S	.	.			trans	-120.1	112.5	-179	177.8	0	0	0	0	109.9	N627 T632 S633	N627-V630 HydrophobicContact CB-CB 4.43Å; N627-V630 HydrophobicContact CB-CG2 4.45Å; N627-V630 PolarHBondContact O-N 2.84Å; V630-T632 PolarHBondContact O-N 3.29Å; V630-S633 WeakPolarHBondContact O-CB 3.49Å; V630-S633 PolarHBondContact O-N 3.13Å; V630-S633 PolarHBondContact O-OG 2.8Å
631	R	48.4	Very low	66.9	Low	251 Å²	251	65.2 Å²	65.2	95%	0.947	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	-29.6	-176.1	-116.5	-175.8	-176.5	-169.1	1	114
632	T	52.3	Low	66.8	Low	101 Å²	101	70.7 Å²	70.7	62%	0.62	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.4	6.7	179.7	49.8	0	0	0	0	113.8	V630 C634	V630-T632 PolarHBondContact O-N 3.29Å; T632-C634 CarbonylContact C-O 3.43Å; T632-C634 PolarHBondContact O-N 3.3Å
633	S	62.7	Low	66.8	Low	31 Å²	31	70.9 Å²	70.9	22%	0.217	36%	0.363	C	S	.	.	S	Bend	trans	-70.4	1.9	176.1	67.3	0	0	0	0	114.4	C626 N627 V630	C626-S633 WeakPolarHBondContact CB-O 3.5Å; N627-S633 PolarHBondContact N-OG 2.99Å; N627-S633 PolarHBondContact O-OG 2.91Å; V630-S633 WeakPolarHBondContact O-CB 3.49Å; V630-S633 PolarHBondContact O-N 3.13Å; V630-S633 PolarHBondContact O-OG 2.8Å
634	C	69	Low	66.6	Low	6 Å²	6	74.8 Å²	74.8	4%	0.041	39%	0.388	C	S	.	.	S	Bend	trans	-133.1	139.7	170.3	-69.5	0	0	0	0	107.3	C626 T632 Y636 E638 C650	C626-C634 WeakPolarHBondContact CB-SG 3.23Å; T632-C634 CarbonylContact C-O 3.43Å; T632-C634 PolarHBondContact O-N 3.3Å; C634-Y636 PolarHBondContact O-N 2.85Å; C634-E638 HydrophobicContact CB-CB 3.74Å; C634-E638 WeakPolarHBondContact CB-O 3.21Å; C634-C650 WeakPolarHBondContact CA-SG 3.22Å; C634-C650 HydrophobicContact CB-CB 3.74Å; C634-C650 WeakPolarHBondContact CB-SG 3.35Å; C634-C650 WeakPolarHBondContact SG-CA 3.35Å; C634-C650 WeakPolarHBondContact SG-CB 3.39Å; C634-C650 CovalentContact SG-SG 2.03Å; C634-C650 PolarHBondContact SG-SG 3.44Å
635	V	69.1	Low	66.4	Low	60 Å²	60	74.8 Å²	74.8	36%	0.364	38%	0.379	S	S	.	.			trans	-63.6	118.2	178.3	179.8	0	0	0	0	107.9	L309 E638	L309-V635 HydrophobicContact CD1-CG1 4.48Å; V635-E638 VanDerWaalsContact O-CB 3.25Å; V635-E638 WeakPolarHBondContact O-CB 3.25Å; V635-E638 PolarHBondContact O-N 3.23Å
636	Y	58.2	Low	65.9	Low	177 Å²	177	71.2 Å²	71.2	69%	0.694	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.7	128.2	178	179.1	-90.4	0	0	0	108.9	C634	C634-Y636 PolarHBondContact O-N 2.85Å
637	P	60.4	Low	65.8	Low	19 Å²	19	72.7 Å²	72.7	12%	0.123	38%	0.376	C	S	.	.	T	Hydrogen-bonded Turn	cis	-92.7	2.6	20.2	32.2	-30.8	0	0	0	116.9	P653 H656 C665	P637-P653 HydrophobicContact CB-CG 4.24Å; P637-P653 WeakPolarHBondContact O-CD 2.83Å; P637-P653 WeakPolarHBondContact O-CG 3.2Å; P637-H656 WeakPolarHBondContact CB-CD2 3.37Å; P637-H656 WeakPolarHBondContact CB-NE2 3.41Å; P637-H656 WeakPolarHBondContact CG-CD2 3.31Å; P637-H656 WeakPolarHBondContact CG-NE2 3.32Å; P637-C665 VanDerWaalsContact CD-O 3.28Å; P637-C665 WeakPolarHBondContact CD-O 3.36Å; P637-C665 HydrophobicContact CG-CB 4.23Å; P637-C665 VanDerWaalsContact CG-O 3.29Å; P637-C665 WeakPolarHBondContact CG-O 3.22Å
638	E	74.4	Confident	66.3	Low	17 Å²	17	73.3 Å²	73.3	8%	0.079	37%	0.374	C	S	.	.			trans	-61.1	139.4	-172.6	-65.8	-174.1	-149.2	0	0	114.7	C634 V635 C650 I651 R658 C665	C634-E638 HydrophobicContact CB-CB 3.74Å; C634-E638 WeakPolarHBondContact CB-O 3.21Å; V635-E638 VanDerWaalsContact O-CB 3.25Å; V635-E638 WeakPolarHBondContact O-CB 3.25Å; V635-E638 PolarHBondContact O-N 3.23Å; E638-C650 HydrophobicContact CB-CB 4.03Å; E638-C650 WeakPolarHBondContact OE2-CB 3.15Å; E638-I651 CarbonylContact C-O 3.51Å; E638-I651 WeakPolarHBondContact CA-O 3.35Å; E638-R658 IonicContact OE1-CZ 3.64Å; E638-R658 IonicContact OE1-NH1 3.96Å; E638-R658 PolarHBondContact OE1-NH1 2.85Å; E638-R658 IonicContact OE1-NH2 3.92Å; E638-R658 IonicContact OE2-CZ 3.44Å; E638-R658 IonicContact OE2-NH1 2.66Å; E638-R658 PolarHBondContact OE2-NH1 2.92Å; E638-R658 VanDerWaalsContact OE2-NH1 3.13Å; E638-R658 IonicContact OE2-NH2 2.76Å; E638-R658 PolarHBondContact OE2-NH2 3.32Å; E638-C665 HydrophobicContact CG-CB 3.79Å; E638-C665 WeakPolarHBondContact CG-SG 3.02Å
639	V	75	Confident	67.2	Low	78 Å²	78	71.6 Å²	71.6	47%	0.473	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	143.9	178.2	-162.9	0	0	0	0	110	G641 C650 I651 P653	V639-G641 PolarHBondContact O-N 2.91Å; V639-G641 VanDerWaalsContact O-N 3.12Å; V639-C650 WeakPolarHBondContact O-CA 3.17Å; V639-I651 PolarHBondContact N-O 2.89Å; V639-I651 VanDerWaalsContact O-CG1 3.3Å; V639-I651 WeakPolarHBondContact O-CG1 3.39Å; V639-I651 PolarHBondContact O-N 2.76Å; V639-P653 HydrophobicContact CG2-CB 4.16Å; V639-P653 HydrophobicContact CG2-CG 3.7Å
640	C	79.9	Confident	68.5	Low	26 Å²	26	63.3 Å²	63.3	18%	0.176	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	98.2	178.6	-173.6	0	0	0	0	112.6	C626 N627	C626-C640 HydrophobicContact CB-CB 3.79Å; C626-C640 WeakPolarHBondContact CB-SG 3.12Å; C626-C640 WeakPolarHBondContact SG-CA 2.92Å; C626-C640 WeakPolarHBondContact SG-CB 3.15Å; C626-C640 CovalentContact SG-SG 2.03Å; C626-C640 PolarHBondContact SG-SG 3.28Å; N627-C640 VanDerWaalsContact C-SG 3.54Å
641	G	73.9	Confident	69.9	Low	9 Å²	9	61.7 Å²	61.7	9%	0.093	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	144.6	-178.3	0	0	0	0	0	113.9	V639 Y648 R649	V639-G641 PolarHBondContact O-N 2.91Å; V639-G641 VanDerWaalsContact O-N 3.12Å; G641-Y648 CarbonylContact O-C 3.45Å; G641-Y648 VanDerWaalsContact O-CA 3.25Å; G641-Y648 WeakPolarHBondContact O-CA 3.48Å; G641-R649 WeakPolarHBondContact CA-O 3.27Å; G641-R649 PolarHBondContact N-O 2.89Å; G641-R649 PolarHBondContact O-N 3.41Å
642	K	77.5	Confident	71.5	Confident	115 Å²	115	50.6 Å²	50.6	50%	0.5	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	115.6	174.7	-162.6	173.3	-164.8	152.4	0	112.4	F612 G646 Y648	F612-K642 VanDerWaalsContact CZ-O 3.24Å; F612-K642 WeakPolarHBondContact CZ-O 3.3Å; K642-G646 WeakPolarHBondContact CE-O 3.13Å; K642-Y648 HydrophobicContact CB-CD1 3.53Å; K642-Y648 HydrophobicContact CB-CE1 3.49Å; K642-Y648 VanDerWaalsContact CB-CE1 3.49Å; K642-Y648 HydrophobicContact CB-CG 4.48Å; K642-Y648 HydrophobicContact CD-CD1 4.25Å; K642-Y648 HydrophobicContact CD-CE1 3.52Å; K642-Y648 HydrophobicContact CD-CE2 4.46Å; K642-Y648 HydrophobicContact CG-CD1 3.71Å; K642-Y648 HydrophobicContact CG-CE1 3.5Å; K642-Y648 HydrophobicContact CG-CG 4.33Å; K642-Y648 PolarHBondContact NZ-OH 2.77Å
643	T	72.5	Confident	72.5	Confident	4 Å²	4	47.1 Å²	47.1	3%	0.025	25%	0.249	C	C	.	.			trans	-74	157.7	177.8	73.9	0	0	0	0	110.8	N593 F612 Y645 G646 N647 R649	N593-T643 WeakPolarHBondContact ND2-CG2 3.41Å; F612-T643 HydrophobicContact CD1-CG2 3.72Å; F612-T643 HydrophobicContact CE1-CG2 3.43Å; F612-T643 VanDerWaalsContact CE1-CG2 3.43Å; F612-T643 HydrophobicContact CZ-CG2 4.18Å; T643-Y645 PolarHBondContact O-N 2.85Å; T643-G646 PolarHBondContact O-N 2.86Å; T643-N647 WeakPolarHBondContact CB-O 3.36Å; T643-N647 WeakPolarHBondContact CG2-O 3.2Å; T643-N647 PolarHBondContact N-O 2.72Å; T643-N647 PolarHBondContact OG1-O 3.47Å; T643-N647 PolarHBondContact OG1-OD1 2.91Å; T643-R649 HydrophobicContact CG2-CB 4.08Å; T643-R649 HydrophobicContact CG2-CG 4.27Å
644	P	66.4	Low	72.9	Confident	85 Å²	85	52.4 Å²	52.4	55%	0.552	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-20.5	179.9	-26.8	36.9	0	0	0	115	P609 G646	P609-P644 HydrophobicContact CB-CG 3.71Å; P609-P644 VanDerWaalsContact CG-CD 3.46Å; P609-P644 HydrophobicContact CG-CG 3.51Å; P644-G646 VanDerWaalsContact C-N 3.35Å
645	Y	70.6	Confident	72.7	Confident	90 Å²	90	54 Å²	54	35%	0.353	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.3	-1.9	179.8	-61.3	-76.1	0	0	0	113.4	A590 N593 E594 T643	A590-Y645 HydrophobicContact CB-CD1 4.48Å; N593-Y645 HydrophobicContact CB-CD2 4.3Å; E594-Y645 PolarHBondContact O-OH 3.13Å; E594-Y645 VanDerWaalsContact O-OH 3.04Å; T643-Y645 PolarHBondContact O-N 2.85Å
646	G	66.2	Low	72.7	Confident	38 Å²	38	52.2 Å²	52.2	39%	0.392	28%	0.276	S	S	.	.	S	Bend	trans	100.8	-17.7	166.4	0	0	0	0	0	115.4	K642 T643 P644	K642-G646 WeakPolarHBondContact CE-O 3.13Å; T643-G646 PolarHBondContact O-N 2.86Å; P644-G646 VanDerWaalsContact C-N 3.35Å
647	N	68.8	Low	73.4	Confident	50 Å²	50	47.2 Å²	47.2	27%	0.267	26%	0.258	S	S	.	.			trans	-72.6	142.2	166.6	46.3	-41.1	0	0	0	111.1	N593 L625 T643	N593-N647 PolarHBondContact ND2-ND2 2.87Å; N593-N647 PolarHBondContact OD1-ND2 2.77Å; L625-N647 HydrophobicContact CD2-CB 4Å; T643-N647 WeakPolarHBondContact CB-O 3.36Å; T643-N647 WeakPolarHBondContact CG2-O 3.2Å; T643-N647 PolarHBondContact N-O 2.72Å; T643-N647 PolarHBondContact OG1-O 3.47Å; T643-N647 PolarHBondContact OG1-OD1 2.91Å
648	Y	77.1	Confident	73.9	Confident	80 Å²	80	47.2 Å²	47.2	31%	0.314	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	137.9	174.3	-58	-95.2	0	0	0	110.1	L625 C626 P628 G641 K642	L625-Y648 WeakPolarHBondContact CA-O 3.33Å; L625-Y648 WeakPolarHBondContact CD2-O 3.45Å; C626-Y648 PolarHBondContact N-O 3.5Å; C626-Y648 VanDerWaalsContact SG-C 3.55Å; P628-Y648 HydrophobicContact CB-CD1 4.04Å; P628-Y648 HydrophobicContact CB-CE1 4.06Å; P628-Y648 HydrophobicContact CG-CD1 3.81Å; P628-Y648 HydrophobicContact CG-CD2 4.05Å; P628-Y648 HydrophobicContact CG-CE1 3.68Å; P628-Y648 HydrophobicContact CG-CE2 3.92Å; P628-Y648 HydrophobicContact CG-CG 4Å; G641-Y648 CarbonylContact O-C 3.45Å; G641-Y648 VanDerWaalsContact O-CA 3.25Å; G641-Y648 WeakPolarHBondContact O-CA 3.48Å; K642-Y648 HydrophobicContact CB-CD1 3.53Å; K642-Y648 HydrophobicContact CB-CE1 3.49Å; K642-Y648 VanDerWaalsContact CB-CE1 3.49Å; K642-Y648 HydrophobicContact CB-CG 4.48Å; K642-Y648 HydrophobicContact CD-CD1 4.25Å; K642-Y648 HydrophobicContact CD-CE1 3.52Å; K642-Y648 HydrophobicContact CD-CE2 4.46Å; K642-Y648 HydrophobicContact CG-CD1 3.71Å; K642-Y648 HydrophobicContact CG-CE1 3.5Å; K642-Y648 HydrophobicContact CG-CG 4.33Å; K642-Y648 PolarHBondContact NZ-OH 2.77Å
649	R	78.6	Confident	73.1	Confident	28 Å²	28	47.5 Å²	47.5	11%	0.106	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	152.8	176.1	-76.5	-171	-178.8	-81.8	-1.2	111.1	N593 I620 C621 G623 V624 L625 C626 G641 T643	N593-R649 WeakPolarHBondContact ND2-CD 3.47Å; N593-R649 PolarHBondContact ND2-NE 2.93Å; I620-R649 VanDerWaalsContact CG2-NE 3.35Å; C621-R649 WeakPolarHBondContact O-CD 3.45Å; G623-R649 VanDerWaalsContact O-CD 3.3Å; G623-R649 WeakPolarHBondContact O-CD 3.29Å; G623-R649 PolarHBondContact O-NH1 2.03Å; V624-R649 VanDerWaalsContact O-CA 3.26Å; V624-R649 WeakPolarHBondContact O-CA 3.31Å; L625-R649 HydrophobicContact CD2-CG 3.94Å; C626-R649 VanDerWaalsContact SG-CA 3.51Å; C626-R649 PolarHBondContact SG-N 2.78Å; C626-R649 VanDerWaalsContact SG-N 3.4Å; G641-R649 WeakPolarHBondContact CA-O 3.27Å; G641-R649 PolarHBondContact N-O 2.89Å; G641-R649 PolarHBondContact O-N 3.41Å; T643-R649 HydrophobicContact CG2-CB 4.08Å; T643-R649 HydrophobicContact CG2-CG 4.27Å
650	C	83.9	Confident	72	Confident	0 Å²	0	54.5 Å²	54.5	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	137.9	178.1	-56.1	0	0	0	0	112.6	G622 G623 V624 C626 C634 E638 V639 R658	G622-C650 CarbonylContact C-O 3.5Å; G622-C650 WeakPolarHBondContact CA-O 3.38Å; G623-C650 PolarHBondContact N-O 2.8Å; V624-C650 PolarHBondContact O-N 2.74Å; V624-C650 VanDerWaalsContact O-N 3.08Å; C626-C650 VanDerWaalsContact CB-SG 3.59Å; C634-C650 WeakPolarHBondContact CA-SG 3.22Å; C634-C650 HydrophobicContact CB-CB 3.74Å; C634-C650 WeakPolarHBondContact CB-SG 3.35Å; C634-C650 WeakPolarHBondContact SG-CA 3.35Å; C634-C650 WeakPolarHBondContact SG-CB 3.39Å; C634-C650 CovalentContact SG-SG 2.03Å; C634-C650 PolarHBondContact SG-SG 3.44Å; E638-C650 HydrophobicContact CB-CB 4.03Å; E638-C650 WeakPolarHBondContact OE2-CB 3.15Å; V639-C650 WeakPolarHBondContact O-CA 3.17Å; C650-R658 PolarHBondContact O-NH2 2.76Å
651	I	84.2	Confident	70.4	Confident	30 Å²	30	60.2 Å²	60.2	15%	0.154	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	155.3	177.6	58.9	169.4	0	0	0	109.5	G611 F612 E638 V639	G611-I651 WeakPolarHBondContact O-CB 3.44Å; G611-I651 VanDerWaalsContact O-CG2 3.27Å; G611-I651 WeakPolarHBondContact O-CG2 3.17Å; F612-I651 HydrophobicContact CB-CG2 4.38Å; F612-I651 HydrophobicContact CD1-CG2 3.24Å; F612-I651 HydrophobicContact CD2-CG2 4.41Å; F612-I651 HydrophobicContact CE1-CG2 3.37Å; F612-I651 HydrophobicContact CG-CG2 3.8Å; F612-I651 HydrophobicContact CZ-CG2 4.02Å; E638-I651 CarbonylContact C-O 3.51Å; E638-I651 WeakPolarHBondContact CA-O 3.35Å; V639-I651 PolarHBondContact N-O 2.89Å; V639-I651 VanDerWaalsContact O-CG1 3.3Å; V639-I651 WeakPolarHBondContact O-CG1 3.39Å; V639-I651 PolarHBondContact O-N 2.76Å
652	C	81.1	Confident	69.5	Low	18 Å²	18	62.9 Å²	62.9	12%	0.122	32%	0.322	C	S	.	.			trans	-68.3	145.7	172	-49	0	0	0	0	109.9	H656 R658 C665	C652-H656 HydrophobicContact CB-CB 3.9Å; C652-R658 PolarHBondContact SG-N 3.11Å; C652-C665 WeakPolarHBondContact CA-SG 3.3Å; C652-C665 HydrophobicContact CB-CB 3.71Å; C652-C665 WeakPolarHBondContact CB-SG 3.24Å; C652-C665 PolarHBondContact N-SG 2.72Å; C652-C665 WeakPolarHBondContact SG-CB 3.28Å; C652-C665 CovalentContact SG-SG 2.03Å; C652-C665 PolarHBondContact SG-SG 2.82Å
653	P	72.8	Confident	68.7	Low	28 Å²	28	57.6 Å²	57.6	18%	0.182	30%	0.3	C	S	.	.			trans	-59.3	171	161.2	-14.6	23	0	0	0	112.2	P637 V639 D655 H656	P637-P653 HydrophobicContact CB-CG 4.24Å; P637-P653 WeakPolarHBondContact O-CD 2.83Å; P637-P653 WeakPolarHBondContact O-CG 3.2Å; V639-P653 HydrophobicContact CG2-CB 4.16Å; V639-P653 HydrophobicContact CG2-CG 3.7Å; P653-D655 VanDerWaalsContact CB-OD1 3.28Å; P653-D655 WeakPolarHBondContact CB-OD1 3.49Å; P653-D655 PolarHBondContact O-N 3.2Å; P653-H656 HydrophobicContact CB-CB 4.4Å; P653-H656 WeakPolarHBondContact CB-ND1 3.05Å; P653-H656 HydrophobicContact CG-CB 4.3Å; P653-H656 WeakPolarHBondContact CG-ND1 3.45Å; P653-H656 PolarHBondContact O-N 2.97Å
654	T	70.6	Confident	68.5	Low	143 Å²	143	62.4 Å²	62.4	88%	0.877	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.2	-14.2	-174.2	44.4	0	0	0	0	115.6
655	D	66.8	Low	68.8	Low	40 Å²	40	58.7 Å²	58.7	21%	0.214	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.3	24.1	179	51.7	-27	0	0	0	111.4	P653 N668 L671 A672	P653-D655 VanDerWaalsContact CB-OD1 3.28Å; P653-D655 WeakPolarHBondContact CB-OD1 3.49Å; P653-D655 PolarHBondContact O-N 3.2Å; D655-N668 WeakPolarHBondContact O-CB 3.36Å; D655-N668 PolarHBondContact O-N 2.77Å; D655-L671 HydrophobicContact CB-CB 3.76Å; D655-A672 HydrophobicContact CB-CB 4.25Å
656	H	68.6	Low	68.5	Low	21 Å²	21	56.9 Å²	56.9	10%	0.097	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	155.7	-171.5	-64.9	77.2	0	0	0	111.6	P637 C652 P653 V666 I667	P637-H656 WeakPolarHBondContact CB-CD2 3.37Å; P637-H656 WeakPolarHBondContact CB-NE2 3.41Å; P637-H656 WeakPolarHBondContact CG-CD2 3.31Å; P637-H656 WeakPolarHBondContact CG-NE2 3.32Å; C652-H656 HydrophobicContact CB-CB 3.9Å; P653-H656 HydrophobicContact CB-CB 4.4Å; P653-H656 WeakPolarHBondContact CB-ND1 3.05Å; P653-H656 HydrophobicContact CG-CB 4.3Å; P653-H656 WeakPolarHBondContact CG-ND1 3.45Å; P653-H656 PolarHBondContact O-N 2.97Å; H656-V666 CarbonylContact C-O 3.37Å; H656-V666 WeakPolarHBondContact CA-O 3.42Å; H656-V666 VanDerWaalsContact CB-O 3.27Å; H656-V666 WeakPolarHBondContact CB-O 3.49Å; H656-V666 PolarHBondContact CD2-O 3.28Å; H656-I667 VanDerWaalsContact CD2-CA 3.43Å; H656-I667 WeakPolarHBondContact CD2-CA 3.29Å; H656-I667 WeakPolarHBondContact NE2-CG1 3.04Å
657	F	72.1	Confident	68.4	Low	73 Å²	73	57 Å²	57	32%	0.32	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	152.2	178.7	67.7	-88.3	0	0	0	113.2	C665 V666	F657-C665 CarbonylContact O-C 3.6Å; F657-C665 VanDerWaalsContact O-CA 3.31Å; F657-C665 WeakPolarHBondContact O-CA 3.17Å; F657-V666 HydrophobicContact CE1-CB 4.43Å; F657-V666 HydrophobicContact CZ-CB 4.29Å; F657-V666 PolarHBondContact N-O 2.71Å; F657-V666 PolarHBondContact O-N 3.23Å
658	R	70.3	Confident	68.2	Low	19 Å²	19	56 Å²	56	7%	0.072	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	119.5	-175.2	-161.3	174.2	-69.6	-84.1	-1	112.5	E613 E638 C650 C652 G663 H664	E613-R658 HydrophobicContact CB-CB 4.33Å; E613-R658 WeakPolarHBondContact OE2-CB 3.04Å; E613-R658 PolarHBondContact OE2-N 3.32Å; E638-R658 IonicContact OE1-CZ 3.64Å; E638-R658 IonicContact OE1-NH1 3.96Å; E638-R658 PolarHBondContact OE1-NH1 2.85Å; E638-R658 IonicContact OE1-NH2 3.92Å; E638-R658 IonicContact OE2-CZ 3.44Å; E638-R658 IonicContact OE2-NH1 2.66Å; E638-R658 PolarHBondContact OE2-NH1 2.92Å; E638-R658 VanDerWaalsContact OE2-NH1 3.13Å; E638-R658 IonicContact OE2-NH2 2.76Å; E638-R658 PolarHBondContact OE2-NH2 3.32Å; C650-R658 PolarHBondContact O-NH2 2.76Å; C652-R658 PolarHBondContact SG-N 3.11Å; R658-G663 VanDerWaalsContact CD-O 3.22Å; R658-G663 WeakPolarHBondContact CD-O 2.94Å; R658-G663 WeakPolarHBondContact CG-O 3.29Å; R658-G663 PolarHBondContact NH1-O 2.87Å; R658-H664 WeakPolarHBondContact CA-O 3.27Å
659	S	57.6	Low	67.8	Low	22 Å²	22	53.6 Å²	53.6	15%	0.154	27%	0.274	C	S	.	.			trans	-62.9	134.6	177.4	174.8	0	0	0	0	112	L661 S662 G663 H664	S659-L661 PolarHBondContact OG-N 2.94Å; S659-S662 VanDerWaalsContact CB-OG 3.23Å; S659-S662 WeakPolarHBondContact CB-OG 3.04Å; S659-S662 PolarHBondContact OG-N 2.03Å; S659-S662 PolarHBondContact OG-OG 2.05Å; S659-G663 VanDerWaalsContact O-CA 3.28Å; S659-G663 WeakPolarHBondContact O-CA 3.48Å; S659-G663 PolarHBondContact O-N 2.85Å; S659-H664 PolarHBondContact N-O 2.94Å
660	R	52.5	Low	67.5	Low	226 Å²	226	53.9 Å²	53.9	85%	0.853	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.6	-20.5	177.2	-70.2	-169.8	-176.2	-179.5	3.5	114.7
661	L	45.5	Very low	66.9	Low	146 Å²	146	59.3 Å²	59.3	76%	0.764	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.3	-48.5	175.7	-91.4	81	0	0	0	111.3	S659 R687	S659-L661 PolarHBondContact OG-N 2.94Å; L661-R687 VanDerWaalsContact CD1-NH2 3.28Å
662	S	56.9	Low	66	Low	65 Å²	65	58.9 Å²	58.9	46%	0.455	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.8	-12.5	-171.8	55.5	0	0	0	0	114.7	S659 H664	S659-S662 VanDerWaalsContact CB-OG 3.23Å; S659-S662 WeakPolarHBondContact CB-OG 3.04Å; S659-S662 PolarHBondContact OG-N 2.03Å; S659-S662 PolarHBondContact OG-OG 2.05Å; S662-H664 PolarHBondContact O-CD2 3Å; S662-H664 PolarHBondContact O-N 2.91Å
663	G	60.4	Low	65.1	Low	3 Å²	3	68.5 Å²	68.5	3%	0.031	34%	0.343	C	S	.	.			trans	73.3	-14.2	177.2	0	0	0	0	0	116.2	R658 S659	R658-G663 VanDerWaalsContact CD-O 3.22Å; R658-G663 WeakPolarHBondContact CD-O 2.94Å; R658-G663 WeakPolarHBondContact CG-O 3.29Å; R658-G663 PolarHBondContact NH1-O 2.87Å; S659-G663 VanDerWaalsContact O-CA 3.28Å; S659-G663 WeakPolarHBondContact O-CA 3.48Å; S659-G663 PolarHBondContact O-N 2.85Å
664	H	67	Low	64.3	Low	106 Å²	106	72.1 Å²	72.1	49%	0.491	36%	0.359	S	S	.	.	S	Bend	trans	-74.7	159	172.5	-54.3	-63.2	0	0	0	112.4	R658 S659 S662	R658-H664 WeakPolarHBondContact CA-O 3.27Å; S659-H664 PolarHBondContact N-O 2.94Å; S662-H664 PolarHBondContact O-CD2 3Å; S662-H664 PolarHBondContact O-N 2.91Å
665	C	72.2	Confident	63.7	Low	7 Å²	7	67.3 Å²	67.3	5%	0.047	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	124.6	169.3	-63.6	0	0	0	0	111.3	P637 E638 C652 F657	P637-C665 VanDerWaalsContact CD-O 3.28Å; P637-C665 WeakPolarHBondContact CD-O 3.36Å; P637-C665 HydrophobicContact CG-CB 4.23Å; P637-C665 VanDerWaalsContact CG-O 3.29Å; P637-C665 WeakPolarHBondContact CG-O 3.22Å; E638-C665 HydrophobicContact CG-CB 3.79Å; E638-C665 WeakPolarHBondContact CG-SG 3.02Å; C652-C665 WeakPolarHBondContact CA-SG 3.3Å; C652-C665 HydrophobicContact CB-CB 3.71Å; C652-C665 WeakPolarHBondContact CB-SG 3.24Å; C652-C665 PolarHBondContact N-SG 2.72Å; C652-C665 WeakPolarHBondContact SG-CB 3.28Å; C652-C665 CovalentContact SG-SG 2.03Å; C652-C665 PolarHBondContact SG-SG 2.82Å; F657-C665 CarbonylContact O-C 3.6Å; F657-C665 VanDerWaalsContact O-CA 3.31Å; F657-C665 WeakPolarHBondContact O-CA 3.17Å
666	V	65	Low	63.6	Low	52 Å²	52	68.9 Å²	68.9	32%	0.315	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	148.2	175.4	-165.3	0	0	0	0	108.6	H656 F657	H656-V666 CarbonylContact C-O 3.37Å; H656-V666 WeakPolarHBondContact CA-O 3.42Å; H656-V666 VanDerWaalsContact CB-O 3.27Å; H656-V666 WeakPolarHBondContact CB-O 3.49Å; H656-V666 PolarHBondContact CD2-O 3.28Å; F657-V666 HydrophobicContact CE1-CB 4.43Å; F657-V666 HydrophobicContact CZ-CB 4.29Å; F657-V666 PolarHBondContact N-O 2.71Å; F657-V666 PolarHBondContact O-N 3.23Å
667	I	64.7	Low	63.8	Low	41 Å²	41	68.9 Å²	68.9	21%	0.21	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.9	145.8	167.9	-67	162.6	0	0	0	108.9	H656 E669 A672 M674	H656-I667 VanDerWaalsContact CD2-CA 3.43Å; H656-I667 WeakPolarHBondContact CD2-CA 3.29Å; H656-I667 WeakPolarHBondContact NE2-CG1 3.04Å; I667-E669 HydrophobicContact CB-CG 4.41Å; I667-E669 HydrophobicContact CG2-CB 4.2Å; I667-E669 HydrophobicContact CG2-CG 3.63Å; I667-A672 HydrophobicContact CG2-CB 3.82Å; I667-M674 HydrophobicContact CD1-SD 4.24Å
668	N	64.9	Low	63.7	Low	27 Å²	27	66.8 Å²	66.8	14%	0.144	33%	0.33	C	S	.	.			trans	-104	96	157.8	174	-72.3	0	0	0	106.1	D655 C670 L671 A672 D685	D655-N668 WeakPolarHBondContact O-CB 3.36Å; D655-N668 PolarHBondContact O-N 2.77Å; N668-C670 PolarHBondContact O-N 3.49Å; N668-C670 VanDerWaalsContact O-N 3.13Å; N668-L671 HydrophobicContact CB-CB 4.32Å; N668-L671 HydrophobicContact CB-CD1 4.29Å; N668-L671 PolarHBondContact O-N 2.84Å; N668-L671 VanDerWaalsContact OD1-CB 3.23Å; N668-L671 WeakPolarHBondContact OD1-CB 3.4Å; N668-L671 WeakPolarHBondContact OD1-CD1 3.35Å; N668-L671 WeakPolarHBondContact OD1-CG 3.05Å; N668-L671 PolarHBondContact OD1-N 2.88Å; N668-A672 PolarHBondContact O-N 3.1Å; N668-D685 WeakPolarHBondContact CA-OD1 3.4Å; N668-D685 WeakPolarHBondContact ND2-CB 3.28Å; N668-D685 PolarHBondContact ND2-OD1 2.56Å; N668-D685 PolarHBondContact ND2-OD2 3.07Å
669	E	68.1	Low	63.6	Low	30 Å²	30	75.3 Å²	75.3	14%	0.14	37%	0.371	C	S	.	.	H	α-helix	trans	-64	-30.4	-161.6	-69.4	79.8	-169.8	0	0	111.8	I667 L671 A672 R673 M674 D685 Y690	I667-E669 HydrophobicContact CB-CG 4.41Å; I667-E669 HydrophobicContact CG2-CB 4.2Å; I667-E669 HydrophobicContact CG2-CG 3.63Å; E669-L671 VanDerWaalsContact C-N 3.34Å; E669-L671 PolarHBondContact O-N 3.37Å; E669-A672 PolarHBondContact O-N 2.61Å; E669-R673 WeakPolarHBondContact O-CA 3.24Å; E669-R673 PolarHBondContact O-N 3.39Å; E669-M674 PolarHBondContact O-N 3.35Å; E669-M674 VanDerWaalsContact O-N 3.16Å; E669-D685 PolarHBondContact N-OD1 2.9Å; E669-Y690 HydrophobicContact CB-CD1 3.33Å; E669-Y690 HydrophobicContact CB-CE1 3.85Å; E669-Y690 HydrophobicContact CB-CG 3.83Å; E669-Y690 HydrophobicContact CG-CD1 3.38Å; E669-Y690 HydrophobicContact CG-CE1 3.72Å; E669-Y690 HydrophobicContact CG-CG 4.34Å
670	C	72.2	Confident	63.9	Low	35 Å²	35	80 Å²	80	24%	0.236	39%	0.385	C	S	.	.	H	α-helix	trans	-66.2	-27.6	175.4	-52.8	0	0	0	0	114.4	N668 C683 I684 D685	N668-C670 PolarHBondContact O-N 3.49Å; N668-C670 VanDerWaalsContact O-N 3.13Å; C670-C683 WeakPolarHBondContact CA-SG 3.46Å; C670-C683 HydrophobicContact CB-CB 3.63Å; C670-C683 WeakPolarHBondContact CB-SG 3.46Å; C670-C683 WeakPolarHBondContact SG-CB 3.14Å; C670-C683 CovalentContact SG-SG 2.04Å; C670-C683 PolarHBondContact SG-SG 2.89Å; C670-I684 PolarHBondContact SG-N 2.96Å; C670-D685 PolarHBondContact SG-N 2.98Å
671	L	70.8	Confident	64.5	Low	113 Å²	113	70.2 Å²	70.2	59%	0.592	35%	0.352	S	S	*	.	H	α-helix	trans	-86.4	-35.9	171.6	-78.2	171.5	0	0	0	111.6	D655 N668 E669 R673	D655-L671 HydrophobicContact CB-CB 3.76Å; N668-L671 HydrophobicContact CB-CB 4.32Å; N668-L671 HydrophobicContact CB-CD1 4.29Å; N668-L671 PolarHBondContact O-N 2.84Å; N668-L671 VanDerWaalsContact OD1-CB 3.23Å; N668-L671 WeakPolarHBondContact OD1-CB 3.4Å; N668-L671 WeakPolarHBondContact OD1-CD1 3.35Å; N668-L671 WeakPolarHBondContact OD1-CG 3.05Å; N668-L671 PolarHBondContact OD1-N 2.88Å; E669-L671 VanDerWaalsContact C-N 3.34Å; E669-L671 PolarHBondContact O-N 3.37Å; L671-R673 VanDerWaalsContact C-N 3.29Å; L671-R673 PolarHBondContact O-N 2.83Å
672	A	65.5	Low	66	Low	21 Å²	21	66.9 Å²	66.9	17%	0.174	34%	0.339	C	S	.	.	H	α-helix	trans	-72.4	-20.8	179.2	0	0	0	0	0	113.4	D655 I667 N668 E669 M674	D655-A672 HydrophobicContact CB-CB 4.25Å; I667-A672 HydrophobicContact CG2-CB 3.82Å; N668-A672 PolarHBondContact O-N 3.1Å; E669-A672 PolarHBondContact O-N 2.61Å; A672-M674 VanDerWaalsContact C-N 3.3Å; A672-M674 HydrophobicContact CB-CE 4.34Å; A672-M674 HydrophobicContact CB-CG 4Å; A672-M674 HydrophobicContact CB-SD 4.45Å
673	R	61.6	Low	67	Low	220 Å²	220	65.3 Å²	65.3	83%	0.83	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.2	39.6	-168.2	-59.4	-178.3	172.9	-157.9	-6.1	113.2	E669 L671 D675	E669-R673 WeakPolarHBondContact O-CA 3.24Å; E669-R673 PolarHBondContact O-N 3.39Å; L671-R673 VanDerWaalsContact C-N 3.29Å; L671-R673 PolarHBondContact O-N 2.83Å; R673-D675 VanDerWaalsContact CA-OD1 3.31Å; R673-D675 WeakPolarHBondContact CA-OD1 3.13Å
674	M	57.3	Low	67.2	Low	104 Å²	104	69 Å²	69	51%	0.512	35%	0.345	S	S	.	.			trans	-101.1	8.8	169.2	-58.5	-172.1	-168.4	0	0	111.1	I667 E669 A672 Y690	I667-M674 HydrophobicContact CD1-SD 4.24Å; E669-M674 PolarHBondContact O-N 3.35Å; E669-M674 VanDerWaalsContact O-N 3.16Å; A672-M674 VanDerWaalsContact C-N 3.3Å; A672-M674 HydrophobicContact CB-CE 4.34Å; A672-M674 HydrophobicContact CB-CG 4Å; A672-M674 HydrophobicContact CB-SD 4.45Å; M674-Y690 PolarHBondContact O-OH 2.99Å
675	D	56.8	Low	66.7	Low	42 Å²	42	66.3 Å²	66.3	23%	0.225	34%	0.335	C	S	.	.			trans	-74.6	126.3	169.5	61.8	-61.5	0	0	0	111.5	R673 C677 C683 Y690	R673-D675 VanDerWaalsContact CA-OD1 3.31Å; R673-D675 WeakPolarHBondContact CA-OD1 3.13Å; D675-C677 PolarHBondContact O-N 2.81Å; D675-C677 WeakPolarHBondContact OD2-CB 3.49Å; D675-C677 PolarHBondContact OD2-SG 3.25Å; D675-C683 HydrophobicContact CB-CB 4.24Å; D675-C683 WeakPolarHBondContact CB-SG 3.35Å; D675-C683 WeakPolarHBondContact OD2-CB 3.22Å; D675-Y690 HydrophobicContact CB-CD2 3.72Å; D675-Y690 HydrophobicContact CB-CE2 3.67Å; D675-Y690 HydrophobicContact CB-CG 4.34Å
676	D	65.1	Low	66.1	Low	74 Å²	74	69 Å²	69	40%	0.396	35%	0.351	S	S	.	.			trans	-85.9	29.5	174.5	62.6	2.4	0	0	0	112.7	Y690 R710	D676-Y690 VanDerWaalsContact CG-OH 3.28Å; D676-Y690 PolarHBondContact N-OH 3.09Å; D676-Y690 WeakPolarHBondContact OD1-CE2 3.13Å; D676-Y690 PolarHBondContact OD1-OH 3.26Å; D676-R710 VanDerWaalsContact CG-NH2 3.27Å; D676-R710 WeakPolarHBondContact O-CB 3.48Å; D676-R710 WeakPolarHBondContact O-CG 3.07Å; D676-R710 WeakPolarHBondContact OD1-CD 3.48Å; D676-R710 IonicContact OD1-CZ 2.59Å; D676-R710 IonicContact OD1-NE 3.62Å; D676-R710 PolarHBondContact OD1-NE 3.29Å; D676-R710 IonicContact OD1-NH1 3.56Å; D676-R710 PolarHBondContact OD1-NH1 2.79Å; D676-R710 IonicContact OD1-NH2 2.91Å; D676-R710 PolarHBondContact OD1-NH2 2.78Å; D676-R710 IonicContact OD2-CZ 2.9Å; D676-R710 IonicContact OD2-NE 3.49Å; D676-R710 IonicContact OD2-NH1 3.49Å; D676-R710 PolarHBondContact OD2-NH1 2.84Å; D676-R710 IonicContact OD2-NH2 3.37Å; D676-R710 PolarHBondContact OD2-NH2 2.84Å; D676-R710 VanDerWaalsContact OD2-NH2 3.08Å
677	C	73	Confident	65	Low	21 Å²	21	75.4 Å²	75.4	14%	0.142	37%	0.369	C	S	.	.			trans	-62.4	148.3	172	-58.8	0	0	0	0	111.2	D675 A681 C692	D675-C677 PolarHBondContact O-N 2.81Å; D675-C677 WeakPolarHBondContact OD2-CB 3.49Å; D675-C677 PolarHBondContact OD2-SG 3.25Å; C677-A681 HydrophobicContact CB-CB 4.06Å; C677-C692 WeakPolarHBondContact CA-SG 3.38Å; C677-C692 HydrophobicContact CB-CB 3.7Å; C677-C692 WeakPolarHBondContact CB-SG 3.29Å; C677-C692 PolarHBondContact N-SG 2.92Å; C677-C692 WeakPolarHBondContact SG-CB 3.1Å; C677-C692 CovalentContact SG-SG 2.02Å; C677-C692 PolarHBondContact SG-SG 3.39Å
678	D	70.8	Confident	64.3	Low	28 Å²	28	81 Å²	81	15%	0.15	40%	0.4	C	S	.	.			trans	-58.3	145.6	168.7	-175.9	-72.6	0	0	0	109.3	R680 A681 G709 C712	D678-R680 PolarHBondContact O-N 2.98Å; D678-R680 VanDerWaalsContact OD1-CB 3.22Å; D678-R680 WeakPolarHBondContact OD1-CB 3.42Å; D678-R680 VanDerWaalsContact OD1-CG 3.26Å; D678-R680 WeakPolarHBondContact OD1-CG 3.34Å; D678-R680 PolarHBondContact OD1-N 3.24Å; D678-A681 HydrophobicContact CB-CB 4.19Å; D678-A681 WeakPolarHBondContact O-CB 3.43Å; D678-A681 PolarHBondContact O-N 2.75Å; D678-G709 PolarHBondContact N-O 3.08Å; D678-G709 VanDerWaalsContact N-O 3.1Å; D678-C712 HydrophobicContact CB-CB 3.92Å; D678-C712 VanDerWaalsContact CB-SG 3.56Å; D678-C712 PolarHBondContact OD2-N 2.85Å
679	E	67	Low	64	Low	198 Å²	198	80.6 Å²	80.6	93%	0.925	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.2	-18.1	176.6	-76.2	-163.7	135.8	0	0	114.2
680	R	64.8	Low	64	Low	121 Å²	121	81.9 Å²	81.9	46%	0.457	41%	0.406	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.6	-18.7	178.6	-53.7	177.1	-169	112.3	18.8	113	D678 P695 C712	D678-R680 PolarHBondContact O-N 2.98Å; D678-R680 VanDerWaalsContact OD1-CB 3.22Å; D678-R680 WeakPolarHBondContact OD1-CB 3.42Å; D678-R680 VanDerWaalsContact OD1-CG 3.26Å; D678-R680 WeakPolarHBondContact OD1-CG 3.34Å; D678-R680 PolarHBondContact OD1-N 3.24Å; R680-P695 WeakPolarHBondContact O-CD 3.39Å; R680-P695 WeakPolarHBondContact O-CG 3.44Å; R680-C712 HydrophobicContact CB-CB 4.31Å; R680-C712 PolarHBondContact NH1-O 3.41Å
681	A	65.5	Low	63.7	Low	20 Å²	20	84.3 Å²	84.3	17%	0.165	42%	0.416	C	S	.	.	S	Bend	trans	-74	171.2	-179.5	0	0	0	0	0	112.9	C677 D678 Q693 G709	C677-A681 HydrophobicContact CB-CB 4.06Å; D678-A681 HydrophobicContact CB-CB 4.19Å; D678-A681 WeakPolarHBondContact O-CB 3.43Å; D678-A681 PolarHBondContact O-N 2.75Å; A681-Q693 WeakPolarHBondContact CA-O 3.11Å; A681-G709 WeakPolarHBondContact CB-O 3.27Å
682	T	76.4	Confident	63.9	Low	77 Å²	77	79.1 Å²	79.1	47%	0.472	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	120.8	176.2	-1.3	0	0	0	0	108.6	Q693	T682-Q693 PolarHBondContact N-O 2.67Å; T682-Q693 PolarHBondContact O-N 3.45Å; T682-Q693 PolarHBondContact OG1-O 3.36Å
683	C	77.1	Confident	64.2	Low	31 Å²	31	83.6 Å²	83.6	21%	0.209	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	140.7	174.3	-171.8	0	0	0	0	111.2	C670 D675 L691	C670-C683 WeakPolarHBondContact CA-SG 3.46Å; C670-C683 HydrophobicContact CB-CB 3.63Å; C670-C683 WeakPolarHBondContact CB-SG 3.46Å; C670-C683 WeakPolarHBondContact SG-CB 3.14Å; C670-C683 CovalentContact SG-SG 2.04Å; C670-C683 PolarHBondContact SG-SG 2.89Å; D675-C683 HydrophobicContact CB-CB 4.24Å; D675-C683 WeakPolarHBondContact CB-SG 3.35Å; D675-C683 WeakPolarHBondContact OD2-CB 3.22Å; C683-L691 CarbonylContact C-O 3.44Å
684	I	65	Low	64.7	Low	81 Å²	81	74.2 Å²	74.2	42%	0.415	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	123.3	175.8	-55.7	177.6	0	0	0	108.3	C670 Y690 L691	C670-I684 PolarHBondContact SG-N 2.96Å; I684-Y690 WeakPolarHBondContact O-CA 3.13Å; I684-L691 PolarHBondContact N-O 3.4Å; I684-L691 PolarHBondContact O-N 2.79Å
685	D	57.2	Low	64.8	Low	50 Å²	50	71.6 Å²	71.6	27%	0.267	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	139.6	-177.9	-157.2	69.1	0	0	0	111.5	N668 E669 C670	N668-D685 WeakPolarHBondContact CA-OD1 3.4Å; N668-D685 WeakPolarHBondContact ND2-CB 3.28Å; N668-D685 PolarHBondContact ND2-OD1 2.56Å; N668-D685 PolarHBondContact ND2-OD2 3.07Å; E669-D685 PolarHBondContact N-OD1 2.9Å; C670-D685 PolarHBondContact SG-N 2.98Å
686	T	58.9	Low	64.5	Low	63 Å²	63	73.5 Å²	73.5	39%	0.387	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	178.7	-177.8	79.8	0	0	0	0	111.5	D688 G689 L691	T686-D688 VanDerWaalsContact C-N 3.28Å; T686-D688 PolarHBondContact O-N 3.12Å; T686-G689 CarbonylContact C-O 3.52Å; T686-G689 VanDerWaalsContact C-O 3.32Å; T686-G689 VanDerWaalsContact CA-O 3.26Å; T686-G689 WeakPolarHBondContact CA-O 3.44Å; T686-G689 WeakPolarHBondContact CB-O 3.42Å; T686-G689 PolarHBondContact N-O 3.2Å; T686-G689 VanDerWaalsContact O-O 3.12Å; T686-G689 PolarHBondContact OG1-O 3.4Å; T686-L691 HydrophobicContact CG2-CB 4.37Å
687	R	42.7	Very low	63.7	Low	186 Å²	186	72.5 Å²	72.5	70%	0.702	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75	-19.9	-173.2	-160.8	173.9	-170.6	173.9	1.3	113.9	L661	L661-R687 VanDerWaalsContact CD1-NH2 3.28Å
688	D	48.9	Very low	63	Low	160 Å²	160	74.7 Å²	74.7	86%	0.856	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-123.7	22.1	-170.1	-45.7	-63	0	0	0	111.2	T686	T686-D688 VanDerWaalsContact C-N 3.28Å; T686-D688 PolarHBondContact O-N 3.12Å
689	G	60.4	Low	62.3	Low	18 Å²	18	76.6 Å²	76.6	19%	0.186	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	122.8	-148.2	-173.3	0	0	0	0	0	112	T686	T686-G689 CarbonylContact C-O 3.52Å; T686-G689 VanDerWaalsContact C-O 3.32Å; T686-G689 VanDerWaalsContact CA-O 3.26Å; T686-G689 WeakPolarHBondContact CA-O 3.44Å; T686-G689 WeakPolarHBondContact CB-O 3.42Å; T686-G689 PolarHBondContact N-O 3.2Å; T686-G689 VanDerWaalsContact O-O 3.12Å; T686-G689 PolarHBondContact OG1-O 3.4Å
690	Y	67.2	Low	61.9	Low	56 Å²	56	69.9 Å²	69.9	22%	0.22	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	163.2	-174.5	63	-82.1	0	0	0	113.7	E669 M674 D675 D676 I684	E669-Y690 HydrophobicContact CB-CD1 3.33Å; E669-Y690 HydrophobicContact CB-CE1 3.85Å; E669-Y690 HydrophobicContact CB-CG 3.83Å; E669-Y690 HydrophobicContact CG-CD1 3.38Å; E669-Y690 HydrophobicContact CG-CE1 3.72Å; E669-Y690 HydrophobicContact CG-CG 4.34Å; M674-Y690 PolarHBondContact O-OH 2.99Å; D675-Y690 HydrophobicContact CB-CD2 3.72Å; D675-Y690 HydrophobicContact CB-CE2 3.67Å; D675-Y690 HydrophobicContact CB-CG 4.34Å; D676-Y690 VanDerWaalsContact CG-OH 3.28Å; D676-Y690 PolarHBondContact N-OH 3.09Å; D676-Y690 WeakPolarHBondContact OD1-CE2 3.13Å; D676-Y690 PolarHBondContact OD1-OH 3.26Å; I684-Y690 WeakPolarHBondContact O-CA 3.13Å
691	L	66	Low	61.9	Low	86 Å²	86	68 Å²	68	45%	0.45	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	131.7	178.4	-153.8	84.4	0	0	0	110.8	C683 I684 T686	C683-L691 CarbonylContact C-O 3.44Å; I684-L691 PolarHBondContact N-O 3.4Å; I684-L691 PolarHBondContact O-N 2.79Å; T686-L691 HydrophobicContact CG2-CB 4.37Å
692	C	74.6	Confident	61.8	Low	5 Å²	5	68.2 Å²	68.2	3%	0.034	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	145.8	176.1	-51.7	0	0	0	0	111.6	C677 A708 G709	C677-C692 WeakPolarHBondContact CA-SG 3.38Å; C677-C692 HydrophobicContact CB-CB 3.7Å; C677-C692 WeakPolarHBondContact CB-SG 3.29Å; C677-C692 PolarHBondContact N-SG 2.92Å; C677-C692 WeakPolarHBondContact SG-CB 3.1Å; C677-C692 CovalentContact SG-SG 2.02Å; C677-C692 PolarHBondContact SG-SG 3.39Å; C692-A708 VanDerWaalsContact CB-O 3.26Å; C692-A708 WeakPolarHBondContact CB-O 3.31Å; C692-A708 CarbonylContact O-C 3.51Å; C692-A708 VanDerWaalsContact O-O 3.11Å; C692-G709 WeakPolarHBondContact CB-O 3.21Å
693	Q	73	Confident	60.8	Low	115 Å²	115	72.2 Å²	72.2	54%	0.537	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	113.5	-179.4	-172.3	176.8	72.6	0	0	111.9	A681 T682	A681-Q693 WeakPolarHBondContact CA-O 3.11Å; T682-Q693 PolarHBondContact N-O 2.67Å; T682-Q693 PolarHBondContact O-N 3.45Å; T682-Q693 PolarHBondContact OG1-O 3.36Å
694	C	71.2	Confident	59.5	Low	23 Å²	23	72 Å²	72	16%	0.155	40%	0.396	C	S	.	.			trans	-63.4	135.3	175	-65.1	0	0	0	0	111.8	D700 C712	C694-D700 HydrophobicContact CB-CB 4.32Å; C694-D700 VanDerWaalsContact SG-CB 3.58Å; C694-C712 VanDerWaalsContact CA-SG 3.56Å; C694-C712 HydrophobicContact CB-CB 3.98Å; C694-C712 WeakPolarHBondContact CB-SG 3.47Å; C694-C712 WeakPolarHBondContact SG-CB 3.49Å; C694-C712 CovalentContact SG-SG 2.03Å; C694-C712 PolarHBondContact SG-SG 2.79Å
695	P	59.8	Low	58.7	Low	49 Å²	49	72.5 Å²	72.5	32%	0.318	40%	0.404	S	S	.	.			trans	-74.7	156.1	178.1	32.2	-38.8	0	0	0	112.5	R680 G697 F698	R680-P695 WeakPolarHBondContact O-CD 3.39Å; R680-P695 WeakPolarHBondContact O-CG 3.44Å; P695-G697 PolarHBondContact O-N 3.4Å; P695-F698 HydrophobicContact CG-CD2 4.11Å; P695-F698 PolarHBondContact O-N 3.13Å
696	A	51	Low	58.4	Low	81 Å²	81	78.7 Å²	78.7	67%	0.669	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	109.8	-174.1	0	0	0	0	0	113.5
697	G	47.6	Very low	58.5	Low	54 Å²	54	81.5 Å²	81.5	56%	0.557	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	129.9	-17.5	179	0	0	0	0	0	113.4	P695	P695-G697 PolarHBondContact O-N 3.4Å
698	F	57.6	Low	59.2	Low	67 Å²	67	74 Å²	74	29%	0.294	41%	0.41	S	S	.	.	S	Bend	trans	-100	151.6	167.4	-62.9	-93.5	0	0	0	109.3	P695 C712 I713 M714	P695-F698 HydrophobicContact CG-CD2 4.11Å; P695-F698 PolarHBondContact O-N 3.13Å; F698-C712 HydrophobicContact CB-CB 3.89Å; F698-C712 VanDerWaalsContact CD1-O 3.31Å; F698-C712 WeakPolarHBondContact CD1-O 3.49Å; F698-C712 HydrophobicContact CG-CB 4.44Å; F698-I713 WeakPolarHBondContact CA-O 3.42Å; F698-M714 HydrophobicContact CD1-CB 3.68Å; F698-M714 HydrophobicContact CD1-CG 4.46Å; F698-M714 HydrophobicContact CE1-CB 3.66Å; F698-M714 HydrophobicContact CE1-CG 4.22Å; F698-M714 HydrophobicContact CE1-SD 3.88Å; F698-M714 HydrophobicContact CZ-SD 3.93Å
699	L	56.8	Low	60.1	Low	68 Å²	68	66.4 Å²	66.4	36%	0.356	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	127.9	177	-155.7	143.8	0	0	0	108.4	L701 I713 L736	L699-L701 HydrophobicContact CD2-CD2 3.5Å; L699-L701 VanDerWaalsContact CD2-CD2 3.5Å; L699-L701 HydrophobicContact CD2-CG 3.93Å; L699-L701 PolarHBondContact O-N 3.32Å; L699-I713 PolarHBondContact N-O 3.48Å; L699-I713 PolarHBondContact O-N 3.16Å; L699-I713 VanDerWaalsContact O-N 3.14Å; L699-L736 HydrophobicContact CD1-CD1 3.91Å; L699-L736 HydrophobicContact CD1-CD2 3.5Å; L699-L736 VanDerWaalsContact CD1-CD2 3.5Å; L699-L736 HydrophobicContact CD1-CG 4.32Å
700	D	59	Low	60.8	Low	57 Å²	57	68.4 Å²	68.4	31%	0.305	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	117.4	177.9	-172.4	9.5	0	0	0	109.7	C694 S702 A708 G709	C694-D700 HydrophobicContact CB-CB 4.32Å; C694-D700 VanDerWaalsContact SG-CB 3.58Å; D700-S702 WeakPolarHBondContact OD1-CB 3.38Å; D700-S702 PolarHBondContact OD1-N 3.17Å; D700-S702 VanDerWaalsContact OD1-N 3.09Å; D700-S702 PolarHBondContact OD1-OG 3.05Å; D700-A708 WeakPolarHBondContact OD2-CA 3.05Å; D700-A708 WeakPolarHBondContact OD2-CB 3.28Å; D700-G709 PolarHBondContact OD1-N 2.02Å; D700-G709 PolarHBondContact OD2-N 2.85Å
701	L	64.5	Low	60.7	Low	80 Å²	80	68.8 Å²	68.8	42%	0.419	38%	0.379	S	S	.	.			trans	-119.3	29.4	175.5	-65.1	-178	0	0	0	111.5	L699 N703 V711 I713	L699-L701 HydrophobicContact CD2-CD2 3.5Å; L699-L701 VanDerWaalsContact CD2-CD2 3.5Å; L699-L701 HydrophobicContact CD2-CG 3.93Å; L699-L701 PolarHBondContact O-N 3.32Å; L701-N703 PolarHBondContact O-N 3.37Å; L701-V711 HydrophobicContact CB-CB 4.36Å; L701-V711 HydrophobicContact CB-CG1 4.19Å; L701-V711 PolarHBondContact N-O 2.94Å; L701-I713 HydrophobicContact CD1-CD1 3.53Å; L701-I713 HydrophobicContact CD1-CG1 3.74Å; L701-I713 HydrophobicContact CG-CG1 4.45Å
702	S	63.6	Low	60.6	Low	25 Å²	25	64.7 Å²	64.7	18%	0.175	36%	0.358	C	S	.	.			trans	-53.2	118.5	153.9	-81.8	0	0	0	0	109.6	D700 D704 R707 G709 R710	D700-S702 WeakPolarHBondContact OD1-CB 3.38Å; D700-S702 PolarHBondContact OD1-N 3.17Å; D700-S702 VanDerWaalsContact OD1-N 3.09Å; D700-S702 PolarHBondContact OD1-OG 3.05Å; S702-D704 VanDerWaalsContact C-N 3.27Å; S702-D704 PolarHBondContact O-N 3.46Å; S702-R707 WeakPolarHBondContact CB-O 3.49Å; S702-R707 PolarHBondContact OG-O 2.91Å; S702-G709 PolarHBondContact OG-N 2.92Å; S702-R710 VanDerWaalsContact OG-CB 3.31Å; S702-R710 WeakPolarHBondContact OG-CB 3.23Å; S702-R710 PolarHBondContact OG-N 3.18Å
703	N	54.3	Low	60.1	Low	162 Å²	162	68.6 Å²	68.6	87%	0.866	38%	0.378	S	S	*	.	S	Bend	trans	-70.7	-21.2	-177.9	-70.6	-39.2	0	0	0	113.4	L701	L701-N703 PolarHBondContact O-N 3.37Å
704	D	50.6	Low	59.2	Low	26 Å²	26	69.3 Å²	69.3	14%	0.139	38%	0.383	C	S	.	.	S	Bend	trans	-100.8	124.3	173.9	164.1	39.7	0	0	0	111.3	S702 K706 R707	S702-D704 VanDerWaalsContact C-N 3.27Å; S702-D704 PolarHBondContact O-N 3.46Å; D704-K706 VanDerWaalsContact C-N 3.27Å; D704-K706 PolarHBondContact O-N 2.69Å; D704-K706 PolarHBondContact OD1-N 2.66Å; D704-K706 WeakPolarHBondContact OD2-CB 3.2Å; D704-K706 PolarHBondContact OD2-N 3.01Å; D704-R707 HydrophobicContact CB-CB 4.18Å; D704-R707 CarbonylContact O-C 3.49Å; D704-R707 PolarHBondContact O-N 3.41Å; D704-R707 WeakPolarHBondContact OD2-CB 3.47Å; D704-R707 WeakPolarHBondContact OD2-CD 3.47Å; D704-R707 WeakPolarHBondContact OD2-CG 2.99Å; D704-R707 PolarHBondContact OD2-N 3.45Å
705	P	48.8	Very low	58.2	Low	92 Å²	92	77.3 Å²	77.3	60%	0.597	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.6	-9.5	176.7	30.3	-37.1	0	0	0	115.4
706	K	49.5	Very low	57	Low	179 Å²	179	79.3 Å²	79.3	78%	0.778	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.2	-17.7	166.8	-63.2	178.7	179.2	176.5	0	112.4	D704	D704-K706 VanDerWaalsContact C-N 3.27Å; D704-K706 PolarHBondContact O-N 2.69Å; D704-K706 PolarHBondContact OD1-N 2.66Å; D704-K706 WeakPolarHBondContact OD2-CB 3.2Å; D704-K706 PolarHBondContact OD2-N 3.01Å
707	R	60.8	Low	56.6	Low	122 Å²	122	78.8 Å²	78.8	46%	0.46	42%	0.419	S	S	.	.	S	Bend	trans	-120.7	39.7	-175.3	-73.2	168.8	153.1	-178	-8.8	112.5	S702 D704 R710 E2349	S702-R707 WeakPolarHBondContact CB-O 3.49Å; S702-R707 PolarHBondContact OG-O 2.91Å; D704-R707 HydrophobicContact CB-CB 4.18Å; D704-R707 CarbonylContact O-C 3.49Å; D704-R707 PolarHBondContact O-N 3.41Å; D704-R707 WeakPolarHBondContact OD2-CB 3.47Å; D704-R707 WeakPolarHBondContact OD2-CD 3.47Å; D704-R707 WeakPolarHBondContact OD2-CG 2.99Å; D704-R707 PolarHBondContact OD2-N 3.45Å; R707-R710 WeakPolarHBondContact O-CD 3.42Å; R707-R710 WeakPolarHBondContact O-CG 3.35Å; R707-R710 PolarHBondContact O-NE 3.28Å; R707-E2349 IonicContact NH1-OE1 3.99Å; R707-E2349 PolarHBondContact NH1-OE1 2.95Å
708	A	59.2	Low	56.5	Low	30 Å²	30	81.2 Å²	81.2	25%	0.248	42%	0.419	C	S	.	.			trans	-50.3	150.5	172.3	0	0	0	0	0	112.4	C692 D700	C692-A708 VanDerWaalsContact CB-O 3.26Å; C692-A708 WeakPolarHBondContact CB-O 3.31Å; C692-A708 CarbonylContact O-C 3.51Å; C692-A708 VanDerWaalsContact O-O 3.11Å; D700-A708 WeakPolarHBondContact OD2-CA 3.05Å; D700-A708 WeakPolarHBondContact OD2-CB 3.28Å
709	G	67.5	Low	56.4	Low	0 Å²	0	80.6 Å²	80.6	0%	0	42%	0.417	C	S	.	.	S	Bend	trans	90	16	167.9	0	0	0	0	0	117.2	D678 A681 C692 D700 S702	D678-G709 PolarHBondContact N-O 3.08Å; D678-G709 VanDerWaalsContact N-O 3.1Å; A681-G709 WeakPolarHBondContact CB-O 3.27Å; C692-G709 WeakPolarHBondContact CB-O 3.21Å; D700-G709 PolarHBondContact OD1-N 2.02Å; D700-G709 PolarHBondContact OD2-N 2.85Å; S702-G709 PolarHBondContact OG-N 2.92Å
710	R	73.5	Confident	56.7	Low	59 Å²	59	79 Å²	79	22%	0.223	41%	0.411	C	S	.	.	S	Bend	trans	-104.8	-13	-173.1	-53.1	176.6	177	-155.9	-18.4	114.1	D676 S702 R707	D676-R710 VanDerWaalsContact CG-NH2 3.27Å; D676-R710 WeakPolarHBondContact O-CB 3.48Å; D676-R710 WeakPolarHBondContact O-CG 3.07Å; D676-R710 WeakPolarHBondContact OD1-CD 3.48Å; D676-R710 IonicContact OD1-CZ 2.59Å; D676-R710 IonicContact OD1-NE 3.62Å; D676-R710 PolarHBondContact OD1-NE 3.29Å; D676-R710 IonicContact OD1-NH1 3.56Å; D676-R710 PolarHBondContact OD1-NH1 2.79Å; D676-R710 IonicContact OD1-NH2 2.91Å; D676-R710 PolarHBondContact OD1-NH2 2.78Å; D676-R710 IonicContact OD2-CZ 2.9Å; D676-R710 IonicContact OD2-NE 3.49Å; D676-R710 IonicContact OD2-NH1 3.49Å; D676-R710 PolarHBondContact OD2-NH1 2.84Å; D676-R710 IonicContact OD2-NH2 3.37Å; D676-R710 PolarHBondContact OD2-NH2 2.84Å; D676-R710 VanDerWaalsContact OD2-NH2 3.08Å; S702-R710 VanDerWaalsContact OG-CB 3.31Å; S702-R710 WeakPolarHBondContact OG-CB 3.23Å; S702-R710 PolarHBondContact OG-N 3.18Å; R707-R710 WeakPolarHBondContact O-CD 3.42Å; R707-R710 WeakPolarHBondContact O-CG 3.35Å; R707-R710 PolarHBondContact O-NE 3.28Å
711	V	66.7	Low	56.4	Low	64 Å²	64	80.9 Å²	80.9	39%	0.388	43%	0.428	S	S	.	.			trans	-137.2	96.2	173.4	-177.5	0	0	0	0	109.6	L701 I713	L701-V711 HydrophobicContact CB-CB 4.36Å; L701-V711 HydrophobicContact CB-CG1 4.19Å; L701-V711 PolarHBondContact N-O 2.94Å; V711-I713 HydrophobicContact CG1-CG2 4.05Å
712	C	63.5	Low	55.9	Low	0 Å²	0	83 Å²	83	0%	0	44%	0.44	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	89.7	-175.8	-56.9	0	0	0	0	111.2	D678 R680 C694 F698	D678-C712 HydrophobicContact CB-CB 3.92Å; D678-C712 VanDerWaalsContact CB-SG 3.56Å; D678-C712 PolarHBondContact OD2-N 2.85Å; R680-C712 HydrophobicContact CB-CB 4.31Å; R680-C712 PolarHBondContact NH1-O 3.41Å; C694-C712 VanDerWaalsContact CA-SG 3.56Å; C694-C712 HydrophobicContact CB-CB 3.98Å; C694-C712 WeakPolarHBondContact CB-SG 3.47Å; C694-C712 WeakPolarHBondContact SG-CB 3.49Å; C694-C712 CovalentContact SG-SG 2.03Å; C694-C712 PolarHBondContact SG-SG 2.79Å; F698-C712 HydrophobicContact CB-CB 3.89Å; F698-C712 VanDerWaalsContact CD1-O 3.31Å; F698-C712 WeakPolarHBondContact CD1-O 3.49Å; F698-C712 HydrophobicContact CG-CB 4.44Å
713	I	62.9	Low	55.3	Low	87 Å²	87	85.5 Å²	85.5	45%	0.446	47%	0.47	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	168.2	-177.4	69.1	165.4	0	0	0	114.1	F698 L699 L701 V711	F698-I713 WeakPolarHBondContact CA-O 3.42Å; L699-I713 PolarHBondContact N-O 3.48Å; L699-I713 PolarHBondContact O-N 3.16Å; L699-I713 VanDerWaalsContact O-N 3.14Å; L701-I713 HydrophobicContact CD1-CD1 3.53Å; L701-I713 HydrophobicContact CD1-CG1 3.74Å; L701-I713 HydrophobicContact CG-CG1 4.45Å; V711-I713 HydrophobicContact CG1-CG2 4.05Å
714	M	54.8	Low	54.9	Low	130 Å²	130	86.7 Å²	86.7	64%	0.64	47%	0.467	S	S	*	.			trans	-147.9	101.7	-165.2	-178.2	-165.6	-178.1	0	0	113.3	F698	F698-M714 HydrophobicContact CD1-CB 3.68Å; F698-M714 HydrophobicContact CD1-CG 4.46Å; F698-M714 HydrophobicContact CE1-CB 3.66Å; F698-M714 HydrophobicContact CE1-CG 4.22Å; F698-M714 HydrophobicContact CE1-SD 3.88Å; F698-M714 HydrophobicContact CZ-SD 3.93Å
715	K	49.4	Very low	54.8	Low	191 Å²	191	91 Å²	91	83%	0.83	48%	0.482	S	S	*	.			trans	178.3	170.7	162.7	-106.1	162.6	179.3	178.9	0	111.3
716	S	36.3	Very low	55.2	Low	91 Å²	91	94.8 Å²	94.8	64%	0.636	49%	0.491	S	S	*	.				176.6	94.9	-65.5	164.1	0	0	0	0	111.3
717	T	40.9	Very low	56.1	Low	71 Å²	71	88.1 Å²	88.1	44%	0.436	47%	0.466	S	S	.	.			trans	-139.9	122.4	171.5	-14.9	0	0	0	0	111.3	H719 N735 A737	T717-H719 PolarHBondContact O-CD2 2.79Å; T717-H719 VanDerWaalsContact O-CD2 3.27Å; T717-H719 PolarHBondContact O-N 3.45Å; T717-N735 WeakPolarHBondContact O-CB 3.48Å; T717-A737 WeakPolarHBondContact OG1-CA 2.86Å; T717-A737 PolarHBondContact OG1-O 2.59Å
718	D	47.1	Very low	56.5	Low	104 Å²	104	83.1 Å²	83.1	56%	0.556	45%	0.45	S	S	*	.			trans	-82.3	71.4	-156.4	-156.6	85.5	0	0	0	116.7	C720 S721 N735	D718-C720 PolarHBondContact O-N 3Å; D718-S721 WeakPolarHBondContact OD2-CB 3.03Å; D718-S721 PolarHBondContact OD2-OG 3.44Å; D718-N735 WeakPolarHBondContact CA-ND2 3.27Å; D718-N735 PolarHBondContact OD1-ND2 2.75Å; D718-N735 PolarHBondContact OD2-ND2 2.94Å
719	H	55.3	Low	57.3	Low	55 Å²	55	93 Å²	93	26%	0.255	48%	0.481	S	S	.	.	G	3₁₀ helix	trans	-69.7	-17.5	179.2	-68.4	-69.6	0	0	0	116.6	T717 S721 N735 G739 F740	T717-H719 PolarHBondContact O-CD2 2.79Å; T717-H719 VanDerWaalsContact O-CD2 3.27Å; T717-H719 PolarHBondContact O-N 3.45Å; H719-S721 VanDerWaalsContact C-N 3.3Å; H719-S721 PolarHBondContact O-N 2.77Å; H719-N735 WeakPolarHBondContact CA-OD1 3.25Å; H719-N735 VanDerWaalsContact N-CG 3.31Å; H719-N735 PolarHBondContact N-OD1 3.14Å; H719-G739 PolarHBondContact CD2-O 2.66Å; H719-G739 VanDerWaalsContact CD2-O 3.23Å; H719-F740 HydrophobicContact CB-CB 4.13Å
720	C	62.2	Low	57.7	Low	33 Å²	33	95.6 Å²	95.6	22%	0.223	50%	0.495	C	S	.	.	G	3₁₀ helix	trans	-71.9	-18.6	178.7	-62.6	0	0	0	0	114.1	D718 D722 C733 N735	D718-C720 PolarHBondContact O-N 3Å; C720-D722 VanDerWaalsContact C-N 3.26Å; C720-D722 PolarHBondContact O-N 2.99Å; C720-C733 HydrophobicContact CB-CB 3.79Å; C720-C733 WeakPolarHBondContact CB-SG 3.42Å; C720-C733 WeakPolarHBondContact SG-CB 3.38Å; C720-C733 PolarHBondContact SG-O 3.01Å; C720-C733 CovalentContact SG-SG 2.03Å; C720-C733 PolarHBondContact SG-SG 2.9Å; C720-N735 WeakPolarHBondContact CB-ND2 3.01Å; C720-N735 PolarHBondContact N-ND2 2.98Å; C720-N735 PolarHBondContact N-OD1 2.9Å; C720-N735 PolarHBondContact SG-ND2 3.15Å; C720-N735 VanDerWaalsContact SG-ND2 3.42Å; C720-N735 PolarHBondContact SG-OD1 2.88Å
721	S	52.9	Low	57.7	Low	97 Å²	97	93.2 Å²	93.2	68%	0.678	49%	0.488	S	S	*	.	G	3₁₀ helix	trans	-67.3	-17.3	-175.8	-78.3	0	0	0	0	115.1	D718 H719	D718-S721 WeakPolarHBondContact OD2-CB 3.03Å; D718-S721 PolarHBondContact OD2-OG 3.44Å; H719-S721 VanDerWaalsContact C-N 3.3Å; H719-S721 PolarHBondContact O-N 2.77Å
722	D	54.7	Low	58.1	Low	125 Å²	125	94.2 Å²	94.2	67%	0.668	49%	0.491	S	S	*	.	G	3₁₀ helix	trans	-85.8	-5.8	-173.9	-85.5	-24.2	0	0	0	115.8	C720 K724	C720-D722 VanDerWaalsContact C-N 3.26Å; C720-D722 PolarHBondContact O-N 2.99Å; D722-K724 PolarHBondContact O-N 2.93Å; D722-K724 VanDerWaalsContact O-N 3.09Å
723	G	50.5	Low	58.7	Low	77 Å²	77	96.6 Å²	96.6	79%	0.794	51%	0.507	S	S	*	.	S	Bend	trans	61.8	20.8	172.2	0	0	0	0	0	116.4
724	K	45.1	Very low	58.9	Low	188 Å²	188	95.6 Å²	95.6	82%	0.817	51%	0.505	S	S	*	.			trans	-115.6	14	-170.1	-96.5	-173.7	175	-177	0	115.5	D722	D722-K724 PolarHBondContact O-N 2.93Å; D722-K724 VanDerWaalsContact O-N 3.09Å
725	R	50.1	Low	58.9	Low	116 Å²	116	90.7 Å²	90.7	44%	0.438	48%	0.482	S	S	.	.	S	Bend	trans	-129.4	142	-170	-49.3	-169.2	-174.7	-125.2	4.9	111.3	C727 F740	R725-C727 PolarHBondContact O-N 3.12Å; R725-F740 HydrophobicContact CB-CD2 3.95Å; R725-F740 HydrophobicContact CB-CE1 4.45Å; R725-F740 HydrophobicContact CB-CE2 3.54Å; R725-F740 HydrophobicContact CB-CZ 3.83Å; R725-F740 HydrophobicContact CG-CD2 4.45Å; R725-F740 HydrophobicContact CG-CE1 4.48Å; R725-F740 HydrophobicContact CG-CE2 4.31Å; R725-F740 HydrophobicContact CG-CZ 4.33Å; R725-F740 VanDerWaalsContact NH1-CD1 3.29Å
726	H	55.6	Low	58.9	Low	171 Å²	171	83.9 Å²	83.9	79%	0.792	45%	0.454	S	S	*	.			trans	-91.4	100.1	-174.2	-64.3	121.8	0	0	0	111.4
727	C	69.7	Low	59.5	Low	39 Å²	39	82 Å²	82	26%	0.264	44%	0.444	S	S	.	.			trans	-98.7	158.8	159.7	-62.9	0	0	0	0	110.1	R725 A731 C742	R725-C727 PolarHBondContact O-N 3.12Å; C727-A731 HydrophobicContact CB-CB 4.18Å; C727-C742 WeakPolarHBondContact CA-SG 2.88Å; C727-C742 HydrophobicContact CB-CB 3.62Å; C727-C742 WeakPolarHBondContact CB-SG 3.23Å; C727-C742 WeakPolarHBondContact SG-CB 3.08Å; C727-C742 CovalentContact SG-SG 2.03Å; C727-C742 PolarHBondContact SG-SG 3.27Å
728	S	68.7	Low	59.8	Low	17 Å²	17	86.4 Å²	86.4	12%	0.119	47%	0.465	C	S	.	.			trans	-56.3	150.4	167.1	-172.7	0	0	0	0	110.8	N730 A731 G760 V761 C763	S728-N730 PolarHBondContact O-N 3.05Å; S728-N730 PolarHBondContact OG-N 3.43Å; S728-A731 PolarHBondContact O-N 3.23Å; S728-G760 VanDerWaalsContact CB-O 3.28Å; S728-G760 WeakPolarHBondContact CB-O 3.4Å; S728-G760 PolarHBondContact N-O 3.07Å; S728-V761 WeakPolarHBondContact CA-O 3.46Å; S728-V761 VanDerWaalsContact CB-O 3.27Å; S728-V761 WeakPolarHBondContact CB-O 3.39Å; S728-V761 PolarHBondContact N-O 3.36Å; S728-C763 PolarHBondContact OG-N 2.83Å
729	R	75.8	Confident	60.3	Low	237 Å²	237	82.3 Å²	82.3	89%	0.894	45%	0.447	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-26.5	175.3	-137.1	-179.2	-163.1	-175.8	6.2	112.8
730	N	76.2	Confident	60.6	Low	55 Å²	55	82.9 Å²	82.9	29%	0.294	45%	0.449	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.7	11	178	-52.5	-30	0	0	0	112.4	S728 K745 Y748 C763	S728-N730 PolarHBondContact O-N 3.05Å; S728-N730 PolarHBondContact OG-N 3.43Å; N730-K745 VanDerWaalsContact O-CB 3.29Å; N730-K745 WeakPolarHBondContact O-CB 3.48Å; N730-K745 VanDerWaalsContact O-CG 3.31Å; N730-K745 WeakPolarHBondContact O-CG 3.43Å; N730-K745 PolarHBondContact O-N 3.26Å; N730-Y748 HydrophobicContact CB-CD1 3.71Å; N730-Y748 HydrophobicContact CB-CD2 4.26Å; N730-Y748 HydrophobicContact CB-CE1 4.07Å; N730-Y748 HydrophobicContact CB-CG 3.87Å; N730-C763 HydrophobicContact CB-CB 3.77Å; N730-C763 PolarHBondContact ND2-O 2.61Å
731	A	74.2	Confident	61	Low	9 Å²	9	84.1 Å²	84.1	7%	0.074	45%	0.453	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	154.3	168.5	0	0	0	0	0	111.6	C727 S728 C742 R743 K745 G760	C727-A731 HydrophobicContact CB-CB 4.18Å; S728-A731 PolarHBondContact O-N 3.23Å; A731-C742 HydrophobicContact CB-CB 4.09Å; A731-R743 CarbonylContact C-O 3.53Å; A731-R743 WeakPolarHBondContact CA-O 3.06Å; A731-R743 WeakPolarHBondContact CB-O 3.07Å; A731-K745 VanDerWaalsContact C-NZ 3.29Å; A731-K745 PolarHBondContact O-NZ 2.9Å; A731-G760 WeakPolarHBondContact CB-O 3.23Å
732	D	74.5	Confident	62.1	Low	85 Å²	85	79.8 Å²	79.8	46%	0.455	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	143.2	159.6	-74.3	-48.6	0	0	0	109.6	R743 K745	D732-R743 PolarHBondContact N-O 3.37Å; D732-R743 PolarHBondContact O-N 2.64Å; D732-K745 WeakPolarHBondContact OD1-CE 3.28Å; D732-K745 IonicContact OD1-NZ 3.03Å; D732-K745 PolarHBondContact OD1-NZ 2.81Å; D732-K745 VanDerWaalsContact OD2-CE 3.32Å; D732-K745 WeakPolarHBondContact OD2-CE 2.96Å; D732-K745 VanDerWaalsContact OD2-CG 3.26Å; D732-K745 WeakPolarHBondContact OD2-CG 3.02Å; D732-K745 IonicContact OD2-NZ 3.48Å; D732-K745 PolarHBondContact OD2-NZ 2.85Å
733	C	76.8	Confident	62.8	Low	51 Å²	51	80.5 Å²	80.5	35%	0.345	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	125	177.2	-173.7	0	0	0	0	109	C720	C720-C733 HydrophobicContact CB-CB 3.79Å; C720-C733 WeakPolarHBondContact CB-SG 3.42Å; C720-C733 WeakPolarHBondContact SG-CB 3.38Å; C720-C733 PolarHBondContact SG-O 3.01Å; C720-C733 CovalentContact SG-SG 2.03Å; C720-C733 PolarHBondContact SG-SG 2.9Å
734	V	65.8	Low	64	Low	65 Å²	65	77.7 Å²	77.7	39%	0.394	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	150.3	-179.6	-168	0	0	0	0	108.5	L741 R743	V734-L741 PolarHBondContact N-O 3.4Å; V734-L741 PolarHBondContact O-N 3.26Å; V734-R743 HydrophobicContact CG2-CB 4.22Å
735	N	54.5	Low	64.9	Low	28 Å²	28	71.8 Å²	71.8	15%	0.15	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	132.3	-166.6	-79.7	-46.6	0	0	0	113.7	T717 D718 H719 C720	T717-N735 WeakPolarHBondContact O-CB 3.48Å; D718-N735 WeakPolarHBondContact CA-ND2 3.27Å; D718-N735 PolarHBondContact OD1-ND2 2.75Å; D718-N735 PolarHBondContact OD2-ND2 2.94Å; H719-N735 WeakPolarHBondContact CA-OD1 3.25Å; H719-N735 VanDerWaalsContact N-CG 3.31Å; H719-N735 PolarHBondContact N-OD1 3.14Å; C720-N735 WeakPolarHBondContact CB-ND2 3.01Å; C720-N735 PolarHBondContact N-ND2 2.98Å; C720-N735 PolarHBondContact N-OD1 2.9Å; C720-N735 PolarHBondContact SG-ND2 3.15Å; C720-N735 VanDerWaalsContact SG-ND2 3.42Å; C720-N735 PolarHBondContact SG-OD1 2.88Å
736	L	50.9	Low	65.3	Low	47 Å²	47	72.5 Å²	72.5	25%	0.246	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	172.5	-177.6	-56.8	-173.5	0	0	0	110.5	L699 D738 G739 L741	L699-L736 HydrophobicContact CD1-CD1 3.91Å; L699-L736 HydrophobicContact CD1-CD2 3.5Å; L699-L736 VanDerWaalsContact CD1-CD2 3.5Å; L699-L736 HydrophobicContact CD1-CG 4.32Å; L736-D738 PolarHBondContact O-N 3Å; L736-G739 PolarHBondContact N-O 3.36Å; L736-L741 HydrophobicContact CD1-CB 3.95Å; L736-L741 HydrophobicContact CD1-CD1 4.21Å; L736-L741 HydrophobicContact CD1-CD2 4.42Å; L736-L741 HydrophobicContact CD1-CG 4.43Å; L736-L741 HydrophobicContact CG-CB 4.14Å
737	A	47.7	Very low	65.4	Low	53 Å²	53	66.5 Å²	66.5	44%	0.438	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-49.1	-173.9	0	0	0	0	0	113.2	T717	T717-A737 WeakPolarHBondContact OG1-CA 2.86Å; T717-A737 PolarHBondContact OG1-O 2.59Å
738	D	48.1	Very low	65.1	Low	162 Å²	162	67.8 Å²	67.8	87%	0.866	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118.4	23.8	-180	-68.9	-70	0	0	0	112.8	L736	L736-D738 PolarHBondContact O-N 3Å
739	G	56.2	Low	64.8	Low	18 Å²	18	70 Å²	70	19%	0.186	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-171.5	-175.9	-172	0	0	0	0	0	117	H719 L736	H719-G739 PolarHBondContact CD2-O 2.66Å; H719-G739 VanDerWaalsContact CD2-O 3.23Å; L736-G739 PolarHBondContact N-O 3.36Å
740	F	63.5	Low	64.2	Low	67 Å²	67	60.8 Å²	60.8	29%	0.294	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	142.1	177.6	77.2	-64.4	0	0	0	108.1	H719 R725	H719-F740 HydrophobicContact CB-CB 4.13Å; R725-F740 HydrophobicContact CB-CD2 3.95Å; R725-F740 HydrophobicContact CB-CE1 4.45Å; R725-F740 HydrophobicContact CB-CE2 3.54Å; R725-F740 HydrophobicContact CB-CZ 3.83Å; R725-F740 HydrophobicContact CG-CD2 4.45Å; R725-F740 HydrophobicContact CG-CE1 4.48Å; R725-F740 HydrophobicContact CG-CE2 4.31Å; R725-F740 HydrophobicContact CG-CZ 4.33Å; R725-F740 VanDerWaalsContact NH1-CD1 3.29Å
741	L	69.2	Low	63.9	Low	60 Å²	60	63.1 Å²	63.1	31%	0.314	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	120.8	-177	-164.4	77.2	0	0	0	107.9	V734 L736 P759	V734-L741 PolarHBondContact N-O 3.4Å; V734-L741 PolarHBondContact O-N 3.26Å; L736-L741 HydrophobicContact CD1-CB 3.95Å; L736-L741 HydrophobicContact CD1-CD1 4.21Å; L736-L741 HydrophobicContact CD1-CD2 4.42Å; L736-L741 HydrophobicContact CD1-CG 4.43Å; L736-L741 HydrophobicContact CG-CB 4.14Å; L741-P759 HydrophobicContact CD1-CG 3.44Å; L741-P759 VanDerWaalsContact CD1-CG 3.44Å; L741-P759 HydrophobicContact CG-CG 3.89Å
742	C	75.5	Confident	63.5	Low	6 Å²	6	63 Å²	63	4%	0.041	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	135	171.3	-49.3	0	0	0	0	108	C727 A731 P759 G760	C727-C742 WeakPolarHBondContact CA-SG 2.88Å; C727-C742 HydrophobicContact CB-CB 3.62Å; C727-C742 WeakPolarHBondContact CB-SG 3.23Å; C727-C742 WeakPolarHBondContact SG-CB 3.08Å; C727-C742 CovalentContact SG-SG 2.03Å; C727-C742 PolarHBondContact SG-SG 3.27Å; A731-C742 HydrophobicContact CB-CB 4.09Å; C742-P759 WeakPolarHBondContact CB-O 3.36Å; C742-P759 CarbonylContact O-C 3.49Å; C742-P759 VanDerWaalsContact O-O 3.12Å; C742-G760 VanDerWaalsContact CB-C 3.48Å; C742-G760 WeakPolarHBondContact CB-O 3.24Å; C742-G760 WeakPolarHBondContact O-CA 3.39Å; C742-G760 PolarHBondContact O-N 3.32Å
743	R	70.1	Confident	62.4	Low	139 Å²	139	64.7 Å²	64.7	53%	0.525	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	128.6	178.1	-176.6	175.9	-177.3	145.7	6.9	109.8	A731 D732 V734	A731-R743 CarbonylContact C-O 3.53Å; A731-R743 WeakPolarHBondContact CA-O 3.06Å; A731-R743 WeakPolarHBondContact CB-O 3.07Å; D732-R743 PolarHBondContact N-O 3.37Å; D732-R743 PolarHBondContact O-N 2.64Å; V734-R743 HydrophobicContact CG2-CB 4.22Å
744	C	75.6	Confident	61	Low	19 Å²	19	64.9 Å²	64.9	13%	0.128	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.2	140.9	178.8	-58.6	0	0	0	0	112.4	Y748 D750 C763	C744-Y748 WeakPolarHBondContact CB-O 3.21Å; C744-D750 WeakPolarHBondContact SG-CA 3.07Å; C744-C763 WeakPolarHBondContact CA-SG 3.46Å; C744-C763 HydrophobicContact CB-CB 3.81Å; C744-C763 WeakPolarHBondContact CB-SG 3.49Å; C744-C763 WeakPolarHBondContact SG-CB 3.08Å; C744-C763 CovalentContact SG-SG 2.04Å; C744-C763 PolarHBondContact SG-SG 3.06Å
745	K	63.8	Low	60.4	Low	63 Å²	63	65.3 Å²	65.3	27%	0.274	36%	0.364	S	S	.	.	P	Polyproline II helix	trans	-64.3	151.4	177.6	-78.5	173.9	168.8	68.5	0	110.7	N730 A731 D732 G747 Y748	N730-K745 VanDerWaalsContact O-CB 3.29Å; N730-K745 WeakPolarHBondContact O-CB 3.48Å; N730-K745 VanDerWaalsContact O-CG 3.31Å; N730-K745 WeakPolarHBondContact O-CG 3.43Å; N730-K745 PolarHBondContact O-N 3.26Å; A731-K745 VanDerWaalsContact C-NZ 3.29Å; A731-K745 PolarHBondContact O-NZ 2.9Å; D732-K745 WeakPolarHBondContact OD1-CE 3.28Å; D732-K745 IonicContact OD1-NZ 3.03Å; D732-K745 PolarHBondContact OD1-NZ 2.81Å; D732-K745 VanDerWaalsContact OD2-CE 3.32Å; D732-K745 WeakPolarHBondContact OD2-CE 2.96Å; D732-K745 VanDerWaalsContact OD2-CG 3.26Å; D732-K745 WeakPolarHBondContact OD2-CG 3.02Å; D732-K745 IonicContact OD2-NZ 3.48Å; D732-K745 PolarHBondContact OD2-NZ 2.85Å; K745-G747 PolarHBondContact O-N 3.44Å; K745-Y748 HydrophobicContact CB-CD2 3.87Å; K745-Y748 HydrophobicContact CB-CE2 4.45Å; K745-Y748 WeakPolarHBondContact O-CB 3.28Å; K745-Y748 PolarHBondContact O-N 3.39Å
746	P	59.9	Low	60.1	Low	131 Å²	131	74.3 Å²	74.3	85%	0.851	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.3	127.1	173.4	-26.3	35.1	0	0	0	111.4
747	G	57.1	Low	60.1	Low	45 Å²	45	79.5 Å²	79.5	46%	0.464	42%	0.419	S	S	.	.	T	Hydrogen-bonded Turn	trans	93.1	4.1	-170.4	0	0	0	0	0	115.1	K745 E765 K766	K745-G747 PolarHBondContact O-N 3.44Å; G747-E765 CarbonylContact O-C 3.4Å; G747-E765 WeakPolarHBondContact O-CA 3.38Å; G747-K766 PolarHBondContact O-N 3.09Å
748	Y	63.2	Low	60.6	Low	67 Å²	67	80.3 Å²	80.3	26%	0.263	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	129.6	174.2	-59.5	-94	0	0	0	111.4	N730 C744 K745 R764 E765	N730-Y748 HydrophobicContact CB-CD1 3.71Å; N730-Y748 HydrophobicContact CB-CD2 4.26Å; N730-Y748 HydrophobicContact CB-CE1 4.07Å; N730-Y748 HydrophobicContact CB-CG 3.87Å; C744-Y748 WeakPolarHBondContact CB-O 3.21Å; K745-Y748 HydrophobicContact CB-CD2 3.87Å; K745-Y748 HydrophobicContact CB-CE2 4.45Å; K745-Y748 WeakPolarHBondContact O-CB 3.28Å; K745-Y748 PolarHBondContact O-N 3.39Å; Y748-R764 CarbonylContact C-O 3.58Å; Y748-R764 WeakPolarHBondContact CA-O 3.23Å; Y748-E765 HydrophobicContact CD1-CB 4.21Å; Y748-E765 HydrophobicContact CD1-CG 4.06Å; Y748-E765 HydrophobicContact CE1-CB 4.07Å; Y748-E765 HydrophobicContact CE1-CG 3.57Å; Y748-E765 VanDerWaalsContact CE1-OE1 3.22Å; Y748-E765 WeakPolarHBondContact CE1-OE1 3.48Å; Y748-E765 PolarHBondContact OH-OE1 2.79Å
749	I	61.6	Low	61.2	Low	64 Å²	64	73.7 Å²	73.7	33%	0.328	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	150.9	170.1	-78.4	166.9	0	0	0	110.3	F751 C763 R764 K766	I749-F751 HydrophobicContact CB-CD2 4.46Å; I749-F751 HydrophobicContact CB-CE2 4.1Å; I749-F751 HydrophobicContact CG2-CD2 3.89Å; I749-F751 HydrophobicContact CG2-CE2 3.58Å; I749-F751 HydrophobicContact CG2-CZ 4.4Å; I749-C763 CarbonylContact O-C 3.48Å; I749-C763 VanDerWaalsContact O-CA 3.3Å; I749-C763 WeakPolarHBondContact O-CA 3.41Å; I749-R764 PolarHBondContact N-O 2.8Å; I749-R764 PolarHBondContact O-N 2.94Å; I749-K766 HydrophobicContact CD1-CB 3.93Å; I749-K766 HydrophobicContact CD1-CD 3.87Å; I749-K766 HydrophobicContact CD1-CG 3.66Å; I749-K766 HydrophobicContact CG1-CB 3.93Å; I749-K766 HydrophobicContact CG1-CD 4.1Å; I749-K766 HydrophobicContact CG1-CG 4.08Å
750	D	64.9	Low	61.8	Low	42 Å²	42	72.9 Å²	72.9	23%	0.225	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	119.6	178.7	-148.6	-41.3	0	0	0	111.7	C744 S752 P759 G760	C744-D750 WeakPolarHBondContact SG-CA 3.07Å; D750-S752 WeakPolarHBondContact OD1-CB 3.23Å; D750-S752 PolarHBondContact OD1-N 2.05Å; D750-S752 VanDerWaalsContact OD1-N 3.17Å; D750-S752 PolarHBondContact OD1-OG 3.41Å; D750-P759 WeakPolarHBondContact OD2-CA 3.39Å; D750-P759 VanDerWaalsContact OD2-CB 3.29Å; D750-P759 WeakPolarHBondContact OD2-CB 3.45Å; D750-G760 VanDerWaalsContact CG-N 3.28Å; D750-G760 PolarHBondContact OD1-N 3.2Å; D750-G760 VanDerWaalsContact OD1-N 3.12Å; D750-G760 PolarHBondContact OD2-N 2.66Å
751	F	68.6	Low	62.2	Low	104 Å²	104	72.6 Å²	72.6	46%	0.456	38%	0.38	S	S	.	.			trans	-114.4	19.9	177.2	-83.2	-94	0	0	0	111.5	I749 D762 R764	I749-F751 HydrophobicContact CB-CD2 4.46Å; I749-F751 HydrophobicContact CB-CE2 4.1Å; I749-F751 HydrophobicContact CG2-CD2 3.89Å; I749-F751 HydrophobicContact CG2-CE2 3.58Å; I749-F751 HydrophobicContact CG2-CZ 4.4Å; F751-D762 HydrophobicContact CB-CB 4.29Å; F751-D762 PolarHBondContact N-O 3.44Å; F751-R764 HydrophobicContact CB-CG 4.13Å; F751-R764 HydrophobicContact CD2-CB 3.63Å; F751-R764 HydrophobicContact CD2-CG 3.62Å; F751-R764 HydrophobicContact CE2-CB 3.85Å; F751-R764 HydrophobicContact CE2-CG 4.24Å; F751-R764 HydrophobicContact CG-CB 4.46Å; F751-R764 HydrophobicContact CG-CG 3.98Å
752	S	65.2	Low	62.3	Low	6 Å²	6	72 Å²	72	4%	0.042	38%	0.377	C	S	.	.			trans	-66.5	148.1	-179.2	-52.9	0	0	0	0	111.8	D750 N754 P755 T758 G760 V761 D762	D750-S752 WeakPolarHBondContact OD1-CB 3.23Å; D750-S752 PolarHBondContact OD1-N 2.05Å; D750-S752 VanDerWaalsContact OD1-N 3.17Å; D750-S752 PolarHBondContact OD1-OG 3.41Å; S752-N754 PolarHBondContact O-N 3.02Å; S752-P755 WeakPolarHBondContact O-CD 3.08Å; S752-T758 WeakPolarHBondContact CB-O 3.48Å; S752-T758 PolarHBondContact OG-O 3.26Å; S752-G760 PolarHBondContact OG-N 3.09Å; S752-V761 PolarHBondContact OG-N 3.17Å; S752-D762 PolarHBondContact OG-N 2.8Å; S752-D762 PolarHBondContact OG-O 2.85Å
753	P	52.6	Low	62	Low	122 Å²	122	71.9 Å²	71.9	79%	0.792	38%	0.376	S	S	*	.	S	Bend	trans	-60	-17.1	-171.7	-27.5	36.5	0	0	0	116.6
754	N	47.9	Very low	61.8	Low	55 Å²	55	71.2 Å²	71.2	29%	0.294	37%	0.374	S	S	.	.			trans	-147.9	100.5	161.7	-176.6	-17.2	0	0	0	109	S752 R756 Q757 T758	S752-N754 PolarHBondContact O-N 3.02Å; N754-R756 PolarHBondContact O-N 2.89Å; N754-R756 VanDerWaalsContact O-N 3.12Å; N754-R756 PolarHBondContact OD1-N 2.97Å; N754-Q757 HydrophobicContact CB-CB 4.28Å; N754-Q757 VanDerWaalsContact ND2-CD 3.25Å; N754-Q757 WeakPolarHBondContact ND2-CG 3.22Å; N754-Q757 PolarHBondContact ND2-OE1 2.95Å; N754-Q757 PolarHBondContact O-N 2.98Å; N754-Q757 VanDerWaalsContact O-N 3.14Å; N754-Q757 PolarHBondContact OD1-N 2.86Å; N754-T758 CarbonylContact O-C 3.49Å; N754-T758 PolarHBondContact O-N 3.28Å
755	P	53.1	Low	61.1	Low	73 Å²	73	76.8 Å²	76.8	47%	0.474	40%	0.397	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-17.6	-177.2	-24.5	35.7	0	0	0	114.6	S752 P759	S752-P755 WeakPolarHBondContact O-CD 3.08Å; P755-P759 WeakPolarHBondContact O-CB 3.44Å
756	R	46.7	Very low	60.8	Low	217 Å²	217	77.6 Å²	77.6	82%	0.819	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86	-23.6	176.1	-73.5	-175.1	169.3	-164.2	-4.9	113.8	N754	N754-R756 PolarHBondContact O-N 2.89Å; N754-R756 VanDerWaalsContact O-N 3.12Å; N754-R756 PolarHBondContact OD1-N 2.97Å
757	Q	51.2	Low	60.5	Low	156 Å²	156	78.4 Å²	78.4	73%	0.729	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.5	-36	-178.4	-70.9	178.9	-15.9	0	0	113.6	N754	N754-Q757 HydrophobicContact CB-CB 4.28Å; N754-Q757 VanDerWaalsContact ND2-CD 3.25Å; N754-Q757 WeakPolarHBondContact ND2-CG 3.22Å; N754-Q757 PolarHBondContact ND2-OE1 2.95Å; N754-Q757 PolarHBondContact O-N 2.98Å; N754-Q757 VanDerWaalsContact O-N 3.14Å; N754-Q757 PolarHBondContact OD1-N 2.86Å
758	T	58.8	Low	60.6	Low	71 Å²	71	79.7 Å²	79.7	44%	0.436	38%	0.383	S	S	.	.	S	Bend	trans	-135.5	74.1	173.4	63.6	0	0	0	0	109.6	S752 N754 V761	S752-T758 WeakPolarHBondContact CB-O 3.48Å; S752-T758 PolarHBondContact OG-O 3.26Å; N754-T758 CarbonylContact O-C 3.49Å; N754-T758 PolarHBondContact O-N 3.28Å; T758-V761 WeakPolarHBondContact O-CG2 3.24Å
759	P	60.2	Low	60.8	Low	23 Å²	23	78.6 Å²	78.6	15%	0.149	38%	0.381	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.2	157.3	167.4	27	-33.1	0	0	0	111.1	L741 C742 D750 P755 V761	L741-P759 HydrophobicContact CD1-CG 3.44Å; L741-P759 VanDerWaalsContact CD1-CG 3.44Å; L741-P759 HydrophobicContact CG-CG 3.89Å; C742-P759 WeakPolarHBondContact CB-O 3.36Å; C742-P759 CarbonylContact O-C 3.49Å; C742-P759 VanDerWaalsContact O-O 3.12Å; D750-P759 WeakPolarHBondContact OD2-CA 3.39Å; D750-P759 VanDerWaalsContact OD2-CB 3.29Å; D750-P759 WeakPolarHBondContact OD2-CB 3.45Å; P755-P759 WeakPolarHBondContact O-CB 3.44Å; P759-V761 PolarHBondContact O-N 3.03Å
760	G	68.8	Low	61.3	Low	0 Å²	0	77.1 Å²	77.1	0%	0	38%	0.376	C	S	.	.	T	Hydrogen-bonded Turn	trans	69.8	18.2	167.6	0	0	0	0	0	116.7	S728 A731 C742 D750 S752	S728-G760 VanDerWaalsContact CB-O 3.28Å; S728-G760 WeakPolarHBondContact CB-O 3.4Å; S728-G760 PolarHBondContact N-O 3.07Å; A731-G760 WeakPolarHBondContact CB-O 3.23Å; C742-G760 VanDerWaalsContact CB-C 3.48Å; C742-G760 WeakPolarHBondContact CB-O 3.24Å; C742-G760 WeakPolarHBondContact O-CA 3.39Å; C742-G760 PolarHBondContact O-N 3.32Å; D750-G760 VanDerWaalsContact CG-N 3.28Å; D750-G760 PolarHBondContact OD1-N 3.2Å; D750-G760 VanDerWaalsContact OD1-N 3.12Å; D750-G760 PolarHBondContact OD2-N 2.66Å; S752-G760 PolarHBondContact OG-N 3.09Å
761	V	72.8	Confident	61.3	Low	61 Å²	61	79.5 Å²	79.5	37%	0.37	40%	0.396	S	S	.	.	S	Bend	trans	-84	-32.5	173.1	-154	0	0	0	0	111.6	S728 S752 T758 P759	S728-V761 WeakPolarHBondContact CA-O 3.46Å; S728-V761 VanDerWaalsContact CB-O 3.27Å; S728-V761 WeakPolarHBondContact CB-O 3.39Å; S728-V761 PolarHBondContact N-O 3.36Å; S752-V761 PolarHBondContact OG-N 3.17Å; T758-V761 WeakPolarHBondContact O-CG2 3.24Å; P759-V761 PolarHBondContact O-N 3.03Å
762	D	71	Confident	60.8	Low	49 Å²	49	76.8 Å²	76.8	26%	0.262	39%	0.386	S	S	.	.	S	Bend	trans	-127.2	137.8	161.5	-170.8	14.4	0	0	0	110.8	F751 S752 R764	F751-D762 HydrophobicContact CB-CB 4.29Å; F751-D762 PolarHBondContact N-O 3.44Å; S752-D762 PolarHBondContact OG-N 2.8Å; S752-D762 PolarHBondContact OG-O 2.85Å; D762-R764 IonicContact OD1-NE 3.85Å; D762-R764 IonicContact OD2-CZ 2.75Å; D762-R764 IonicContact OD2-NE 2.65Å; D762-R764 PolarHBondContact OD2-NE 3.17Å; D762-R764 IonicContact OD2-NH2 3.39Å; D762-R764 PolarHBondContact OD2-NH2 3.03Å
763	C	68.8	Low	60.5	Low	2 Å²	2	78.9 Å²	78.9	1%	0.014	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	114.3	-172.9	-71.1	0	0	0	0	110.3	S728 N730 C744 I749	S728-C763 PolarHBondContact OG-N 2.83Å; N730-C763 HydrophobicContact CB-CB 3.77Å; N730-C763 PolarHBondContact ND2-O 2.61Å; C744-C763 WeakPolarHBondContact CA-SG 3.46Å; C744-C763 HydrophobicContact CB-CB 3.81Å; C744-C763 WeakPolarHBondContact CB-SG 3.49Å; C744-C763 WeakPolarHBondContact SG-CB 3.08Å; C744-C763 CovalentContact SG-SG 2.04Å; C744-C763 PolarHBondContact SG-SG 3.06Å; I749-C763 CarbonylContact O-C 3.48Å; I749-C763 VanDerWaalsContact O-CA 3.3Å; I749-C763 WeakPolarHBondContact O-CA 3.41Å
764	R	65.2	Low	60.8	Low	126 Å²	126	78.1 Å²	78.1	48%	0.475	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	150.4	-171.7	-50	-178.1	-172.4	170.7	3.6	110.2	Y748 I749 F751 D762 K766	Y748-R764 CarbonylContact C-O 3.58Å; Y748-R764 WeakPolarHBondContact CA-O 3.23Å; I749-R764 PolarHBondContact N-O 2.8Å; I749-R764 PolarHBondContact O-N 2.94Å; F751-R764 HydrophobicContact CB-CG 4.13Å; F751-R764 HydrophobicContact CD2-CB 3.63Å; F751-R764 HydrophobicContact CD2-CG 3.62Å; F751-R764 HydrophobicContact CE2-CB 3.85Å; F751-R764 HydrophobicContact CE2-CG 4.24Å; F751-R764 HydrophobicContact CG-CB 4.46Å; F751-R764 HydrophobicContact CG-CG 3.98Å; D762-R764 IonicContact OD1-NE 3.85Å; D762-R764 IonicContact OD2-CZ 2.75Å; D762-R764 IonicContact OD2-NE 2.65Å; D762-R764 PolarHBondContact OD2-NE 3.17Å; D762-R764 IonicContact OD2-NH2 3.39Å; D762-R764 PolarHBondContact OD2-NH2 3.03Å; R764-K766 PolarHBondContact O-N 3.5Å
765	E	62.7	Low	61.3	Low	135 Å²	135	77.9 Å²	77.9	63%	0.631	39%	0.391	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-60.6	131.8	-169.8	-124.8	147.7	-118.7	0	0	112.3	G747 Y748	G747-E765 CarbonylContact O-C 3.4Å; G747-E765 WeakPolarHBondContact O-CA 3.38Å; Y748-E765 HydrophobicContact CD1-CB 4.21Å; Y748-E765 HydrophobicContact CD1-CG 4.06Å; Y748-E765 HydrophobicContact CE1-CB 4.07Å; Y748-E765 HydrophobicContact CE1-CG 3.57Å; Y748-E765 VanDerWaalsContact CE1-OE1 3.22Å; Y748-E765 WeakPolarHBondContact CE1-OE1 3.48Å; Y748-E765 PolarHBondContact OH-OE1 2.79Å
766	K	56.2	Low	61.9	Low	81 Å²	81	75.5 Å²	75.5	35%	0.352	37%	0.374	S	S	.	.	P	Polyproline II helix	trans	-71.2	129.6	174	-178.9	159.9	-172.4	-174.4	0	109	G747 I749 R764 D788	G747-K766 PolarHBondContact O-N 3.09Å; I749-K766 HydrophobicContact CD1-CB 3.93Å; I749-K766 HydrophobicContact CD1-CD 3.87Å; I749-K766 HydrophobicContact CD1-CG 3.66Å; I749-K766 HydrophobicContact CG1-CB 3.93Å; I749-K766 HydrophobicContact CG1-CD 4.1Å; I749-K766 HydrophobicContact CG1-CG 4.08Å; R764-K766 PolarHBondContact O-N 3.5Å; K766-D788 IonicContact NZ-OD1 2.8Å; K766-D788 PolarHBondContact NZ-OD1 2.73Å
767	R	53.2	Low	63.4	Low	147 Å²	147	68.6 Å²	68.6	56%	0.555	35%	0.354	S	S	*	.	P	Polyproline II helix	trans	-94.7	167	167	-84.6	175.3	172.3	-109	-8	110.7	E769 L775	R767-E769 WeakPolarHBondContact CB-OE1 3.21Å; R767-L775 VanDerWaalsContact NH1-CD2 3.35Å
768	D	61	Low	64.6	Low	72 Å²	72	62 Å²	62	39%	0.385	33%	0.325	S	S	.	.			trans	-119.4	109.6	166.5	164.7	-18.3	0	0	0	102.9	C770 S771 D786	D768-C770 PolarHBondContact OD1-N 2.94Å; D768-S771 VanDerWaalsContact CG-CB 3.4Å; D768-S771 WeakPolarHBondContact OD1-CB 3.45Å; D768-S771 PolarHBondContact OD1-N 2.99Å; D768-S771 PolarHBondContact OD1-OG 2.83Å; D768-S771 VanDerWaalsContact OD1-OG 3.08Å; D768-S771 WeakPolarHBondContact OD2-CB 3.45Å; D768-S771 PolarHBondContact OD2-OG 3.33Å; D768-D786 WeakPolarHBondContact CA-OD2 3.21Å
769	E	66.4	Low	65.3	Low	45 Å²	45	59.2 Å²	59.2	21%	0.21	31%	0.308	C	S	.	.	S	Bend	trans	-83.3	-30.7	-170.4	-89.4	55.1	-134.3	0	0	110.8	R767 D772 L775 N776 D786 Y791	R767-E769 WeakPolarHBondContact CB-OE1 3.21Å; E769-D772 PolarHBondContact O-N 3.39Å; E769-L775 HydrophobicContact CB-CB 4.27Å; E769-L775 HydrophobicContact CG-CB 4.03Å; E769-N776 PolarHBondContact O-ND2 3.41Å; E769-D786 PolarHBondContact N-OD1 3.36Å; E769-Y791 HydrophobicContact CB-CD1 3.33Å; E769-Y791 HydrophobicContact CB-CE1 3.95Å; E769-Y791 HydrophobicContact CB-CG 4.11Å; E769-Y791 HydrophobicContact CG-CD1 3.74Å; E769-Y791 HydrophobicContact CG-CE1 4Å
770	C	71.2	Confident	65.9	Low	32 Å²	32	60.5 Å²	60.5	22%	0.216	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-28.8	175	-74.6	0	0	0	0	113.8	D768 D772 N776 C784 I785 D786	D768-C770 PolarHBondContact OD1-N 2.94Å; C770-D772 PolarHBondContact O-N 2.71Å; C770-N776 WeakPolarHBondContact CA-ND2 3.36Å; C770-N776 PolarHBondContact O-ND2 2.88Å; C770-C784 WeakPolarHBondContact CA-SG 3.26Å; C770-C784 HydrophobicContact CB-CB 3.87Å; C770-C784 WeakPolarHBondContact CB-SG 3.35Å; C770-C784 WeakPolarHBondContact SG-CB 3.26Å; C770-C784 CovalentContact SG-SG 2.04Å; C770-C784 PolarHBondContact SG-SG 3.37Å; C770-I785 PolarHBondContact SG-N 3.32Å; C770-D786 HydrophobicContact CB-CB 4.03Å; C770-D786 PolarHBondContact N-OD1 3.16Å; C770-D786 PolarHBondContact SG-N 2.92Å
771	S	64.9	Low	66.2	Low	93 Å²	93	60.9 Å²	60.9	65%	0.65	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.7	-16.3	176.3	-81	0	0	0	0	114.1	D768	D768-S771 VanDerWaalsContact CG-CB 3.4Å; D768-S771 WeakPolarHBondContact OD1-CB 3.45Å; D768-S771 PolarHBondContact OD1-N 2.99Å; D768-S771 PolarHBondContact OD1-OG 2.83Å; D768-S771 VanDerWaalsContact OD1-OG 3.08Å; D768-S771 WeakPolarHBondContact OD2-CB 3.45Å; D768-S771 PolarHBondContact OD2-OG 3.33Å
772	D	59	Low	66.3	Low	46 Å²	46	58.3 Å²	58.3	25%	0.246	30%	0.303	C	S	.	.			trans	-127.5	105.2	176.7	-170	-28.5	0	0	0	110.7	E769 C770 T774 L775 N776	E769-D772 PolarHBondContact O-N 3.39Å; C770-D772 PolarHBondContact O-N 2.71Å; D772-T774 PolarHBondContact O-N 2.66Å; D772-T774 WeakPolarHBondContact OD1-CB 3.29Å; D772-T774 PolarHBondContact OD1-N 2.78Å; D772-T774 PolarHBondContact OD1-OG1 2.99Å; D772-L775 HydrophobicContact CB-CD1 3.71Å; D772-L775 HydrophobicContact CB-CG 3.88Å; D772-L775 WeakPolarHBondContact O-CB 3.01Å; D772-L775 PolarHBondContact O-N 3.49Å; D772-N776 PolarHBondContact O-N 3.46Å; D772-N776 PolarHBondContact O-ND2 3.39Å
773	P	59.2	Low	66.7	Low	50 Å²	50	60.3 Å²	60.3	33%	0.325	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.2	11.6	-179.7	31.1	-37	0	0	0	114.7	N776 Q2500	P773-N776 WeakPolarHBondContact CA-ND2 3.03Å; P773-Q2500 VanDerWaalsContact CG-C 3.44Å; P773-Q2500 VanDerWaalsContact CG-O 3.3Å; P773-Q2500 WeakPolarHBondContact CG-O 3.49Å
774	T	59.3	Low	67.2	Low	106 Å²	106	61.9 Å²	61.9	65%	0.65	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.1	-7.2	163.7	69.8	0	0	0	0	113.4	D772	D772-T774 PolarHBondContact O-N 2.66Å; D772-T774 WeakPolarHBondContact OD1-CB 3.29Å; D772-T774 PolarHBondContact OD1-N 2.78Å; D772-T774 PolarHBondContact OD1-OG1 2.99Å
775	L	58.1	Low	67.4	Low	51 Å²	51	60 Å²	60	27%	0.267	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.2	-33.6	176.2	-51	176	0	0	0	112.3	R767 E769 D772 Y791	R767-L775 VanDerWaalsContact NH1-CD2 3.35Å; E769-L775 HydrophobicContact CB-CB 4.27Å; E769-L775 HydrophobicContact CG-CB 4.03Å; D772-L775 HydrophobicContact CB-CD1 3.71Å; D772-L775 HydrophobicContact CB-CG 3.88Å; D772-L775 WeakPolarHBondContact O-CB 3.01Å; D772-L775 PolarHBondContact O-N 3.49Å; L775-Y791 WeakPolarHBondContact O-CE1 3.32Å; L775-Y791 PolarHBondContact O-OH 3.49Å
776	N	65.3	Low	67.3	Low	22 Å²	22	56.1 Å²	56.1	12%	0.118	31%	0.306	C	S	.	.			trans	-94.3	137	168	73.7	92.6	0	0	0	112.7	E769 C770 D772 P773 C784 Y791	E769-N776 PolarHBondContact O-ND2 3.41Å; C770-N776 WeakPolarHBondContact CA-ND2 3.36Å; C770-N776 PolarHBondContact O-ND2 2.88Å; D772-N776 PolarHBondContact O-N 3.46Å; D772-N776 PolarHBondContact O-ND2 3.39Å; P773-N776 WeakPolarHBondContact CA-ND2 3.03Å; N776-C784 VanDerWaalsContact CG-SG 3.55Å; N776-Y791 VanDerWaalsContact CA-CZ 3.47Å; N776-Y791 HydrophobicContact CB-CD1 4.21Å; N776-Y791 HydrophobicContact CB-CD2 3.58Å; N776-Y791 HydrophobicContact CB-CE1 4.13Å; N776-Y791 HydrophobicContact CB-CE2 3.52Å; N776-Y791 HydrophobicContact CB-CG 3.94Å
777	D	77.3	Confident	67.5	Low	72 Å²	72	54.6 Å²	54.6	39%	0.385	30%	0.303	S	S	.	.			trans	-104.8	29.1	174.4	67.4	-13.9	0	0	0	111.7	Y791 K807 R810	D777-Y791 PolarHBondContact N-OH 3.19Å; D777-Y791 PolarHBondContact OD1-OH 3.22Å; D777-Y791 VanDerWaalsContact OD1-OH 3.07Å; D777-K807 IonicContact OD2-NZ 2.72Å; D777-K807 PolarHBondContact OD2-NZ 3.48Å; D777-K807 VanDerWaalsContact OD2-NZ 3.12Å; D777-R810 WeakPolarHBondContact OD1-CD 3.4Å; D777-R810 IonicContact OD1-CZ 2.84Å; D777-R810 IonicContact OD1-NE 3.81Å; D777-R810 PolarHBondContact OD1-NE 2.82Å; D777-R810 VanDerWaalsContact OD1-NE 3.1Å; D777-R810 IonicContact OD1-NH1 3.5Å; D777-R810 PolarHBondContact OD1-NH1 3.33Å; D777-R810 IonicContact OD1-NH2 3.94Å; D777-R810 IonicContact OD2-CZ 3.64Å; D777-R810 IonicContact OD2-NH1 2.7Å; D777-R810 PolarHBondContact OD2-NH1 2.02Å
778	C	76.4	Confident	67.3	Low	19 Å²	19	54.1 Å²	54.1	13%	0.128	31%	0.312	C	S	.	.			trans	-61	146.9	174.3	-65	0	0	0	0	111.4	C784 C793	C778-C784 HydrophobicContact CB-CB 4.41Å; C778-C793 WeakPolarHBondContact CA-SG 3.39Å; C778-C793 HydrophobicContact CB-CB 3.68Å; C778-C793 WeakPolarHBondContact CB-SG 3.32Å; C778-C793 WeakPolarHBondContact SG-CB 2.96Å; C778-C793 CovalentContact SG-SG 2.03Å; C778-C793 PolarHBondContact SG-SG 3.06Å
779	S	74	Confident	66.8	Low	12 Å²	12	60.3 Å²	60.3	8%	0.084	34%	0.339	C	S	.	.			trans	-61.7	141.5	174.8	-166.6	0	0	0	0	109.6	N781 A782 G809 C812	S779-N781 PolarHBondContact O-N 2.03Å; S779-N781 VanDerWaalsContact O-N 3.14Å; S779-A782 WeakPolarHBondContact O-CA 3.15Å; S779-A782 VanDerWaalsContact O-CB 3.25Å; S779-A782 WeakPolarHBondContact O-CB 3.41Å; S779-A782 PolarHBondContact O-N 3.29Å; S779-G809 WeakPolarHBondContact CB-O 3.21Å; S779-G809 PolarHBondContact N-O 2.55Å; S779-C812 PolarHBondContact OG-N 2.04Å; S779-C812 VanDerWaalsContact OG-N 3.08Å
780	P	73.3	Confident	66.7	Low	49 Å²	49	58.9 Å²	58.9	32%	0.318	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-19.7	171.8	-26.8	37.2	0	0	0	113.3	A782 K796 I2503	P780-A782 VanDerWaalsContact C-N 3.28Å; P780-K796 PolarHBondContact O-NZ 3.19Å; P780-I2503 VanDerWaalsContact CB-C 3.44Å
781	N	75.9	Confident	66.6	Low	9 Å²	9	59.4 Å²	59.4	5%	0.048	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.1	23.4	167.7	-44.4	-48.2	0	0	0	112.7	S779 K796 F799 C812 S2504	S779-N781 PolarHBondContact O-N 2.03Å; S779-N781 VanDerWaalsContact O-N 3.14Å; N781-K796 VanDerWaalsContact O-CB 3.32Å; N781-K796 WeakPolarHBondContact O-CB 3.39Å; N781-K796 WeakPolarHBondContact O-CG 3.47Å; N781-K796 PolarHBondContact O-N 3.28Å; N781-F799 HydrophobicContact CB-CB 3.96Å; N781-F799 HydrophobicContact CB-CD1 3.63Å; N781-F799 HydrophobicContact CB-CD2 4.01Å; N781-F799 HydrophobicContact CB-CE1 4.06Å; N781-F799 HydrophobicContact CB-CE2 4.42Å; N781-F799 HydrophobicContact CB-CG 3.6Å; N781-F799 HydrophobicContact CB-CZ 4.44Å; N781-F799 WeakPolarHBondContact ND2-CD1 3.32Å; N781-F799 WeakPolarHBondContact ND2-CE1 3.17Å; N781-C812 HydrophobicContact CB-CB 3.9Å; N781-C812 PolarHBondContact ND2-O 2.74Å; N781-S2504 WeakPolarHBondContact ND2-CA 3.02Å; N781-S2504 WeakPolarHBondContact ND2-CB 3.3Å; N781-S2504 VanDerWaalsContact OD1-CB 3.24Å; N781-S2504 WeakPolarHBondContact OD1-CB 3.33Å; N781-S2504 PolarHBondContact OD1-OG 2.04Å
782	A	73.3	Confident	66.9	Low	6 Å²	6	59.2 Å²	59.2	5%	0.05	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	174.5	172	0	0	0	0	0	111.8	S779 P780 M794 K796 G809	S779-A782 WeakPolarHBondContact O-CA 3.15Å; S779-A782 VanDerWaalsContact O-CB 3.25Å; S779-A782 WeakPolarHBondContact O-CB 3.41Å; S779-A782 PolarHBondContact O-N 3.29Å; P780-A782 VanDerWaalsContact C-N 3.28Å; A782-M794 CarbonylContact C-O 3.48Å; A782-M794 WeakPolarHBondContact CA-O 3.34Å; A782-M794 WeakPolarHBondContact CB-O 3.45Å; A782-K796 VanDerWaalsContact O-CE 3.24Å; A782-K796 WeakPolarHBondContact O-CE 3.15Å; A782-K796 PolarHBondContact O-NZ 2.94Å; A782-G809 WeakPolarHBondContact CB-O 3.34Å
783	I	79.5	Confident	67.8	Low	91 Å²	91	57.1 Å²	57.1	47%	0.467	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	129.7	176	-57	174.9	0	0	0	106.5	I785 C793 M794 K796	I783-I785 HydrophobicContact CG2-CG1 4.47Å; I783-C793 CarbonylContact O-C 3.6Å; I783-C793 WeakPolarHBondContact O-CA 3.45Å; I783-M794 PolarHBondContact N-O 3.39Å; I783-M794 PolarHBondContact O-N 3.41Å; I783-K796 HydrophobicContact CD1-CG 4.45Å; I783-K796 HydrophobicContact CG1-CG 3.95Å
784	C	80.7	Confident	68.4	Low	36 Å²	36	60.1 Å²	60.1	24%	0.243	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	136.8	173.5	-166	0	0	0	0	109.3	C770 N776 C778 I792	C770-C784 WeakPolarHBondContact CA-SG 3.26Å; C770-C784 HydrophobicContact CB-CB 3.87Å; C770-C784 WeakPolarHBondContact CB-SG 3.35Å; C770-C784 WeakPolarHBondContact SG-CB 3.26Å; C770-C784 CovalentContact SG-SG 2.04Å; C770-C784 PolarHBondContact SG-SG 3.37Å; N776-C784 VanDerWaalsContact CG-SG 3.55Å; C778-C784 HydrophobicContact CB-CB 4.41Å; C784-I792 WeakPolarHBondContact CA-O 3.37Å
785	I	68.4	Low	69.3	Low	86 Å²	86	56.8 Å²	56.8	44%	0.441	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	118.6	174.2	-55.1	178.1	0	0	0	107.7	C770 I783 Y791 I792 M794	C770-I785 PolarHBondContact SG-N 3.32Å; I783-I785 HydrophobicContact CG2-CG1 4.47Å; I785-Y791 CarbonylContact O-C 3.54Å; I785-Y791 WeakPolarHBondContact O-CA 3.47Å; I785-I792 PolarHBondContact N-O 2.94Å; I785-I792 PolarHBondContact O-N 2.88Å; I785-M794 HydrophobicContact CD1-SD 4.11Å
786	D	60.6	Low	69.7	Low	53 Å²	53	58.4 Å²	58.4	28%	0.283	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	138.4	-177.6	-143.6	61.4	0	0	0	109.7	D768 E769 C770	D768-D786 WeakPolarHBondContact CA-OD2 3.21Å; E769-D786 PolarHBondContact N-OD1 3.36Å; C770-D786 HydrophobicContact CB-CB 4.03Å; C770-D786 PolarHBondContact N-OD1 3.16Å; C770-D786 PolarHBondContact SG-N 2.92Å
787	T	60.2	Low	69.3	Low	49 Å²	49	63 Å²	63	30%	0.301	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	166.1	-175.7	62.8	0	0	0	0	111.4	E789 G790 I792	T787-E789 PolarHBondContact O-N 3.48Å; T787-E789 VanDerWaalsContact O-N 3.13Å; T787-G790 PolarHBondContact N-O 3.3Å; T787-G790 PolarHBondContact O-N 2.87Å; T787-G790 VanDerWaalsContact O-O 3.05Å; T787-I792 HydrophobicContact CG2-CD1 3.83Å; T787-I792 HydrophobicContact CG2-CG1 3.96Å
788	D	48.5	Very low	67.9	Low	138 Å²	138	65 Å²	65	74%	0.738	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.3	-12	-174.9	-77	-52.9	0	0	0	115	K766	K766-D788 IonicContact NZ-OD1 2.8Å; K766-D788 PolarHBondContact NZ-OD1 2.73Å
789	E	52.1	Low	67.2	Low	202 Å²	202	65.9 Å²	65.9	94%	0.944	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.5	3.6	172.6	-58.3	-169.5	157	0	0	113.6	T787	T787-E789 PolarHBondContact O-N 3.48Å; T787-E789 VanDerWaalsContact O-N 3.13Å
790	G	63.3	Low	66.6	Low	14 Å²	14	70.6 Å²	70.6	14%	0.144	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	142.1	-113.5	179.8	0	0	0	0	0	112.7	T787	T787-G790 PolarHBondContact N-O 3.3Å; T787-G790 PolarHBondContact O-N 2.87Å; T787-G790 VanDerWaalsContact O-O 3.05Å
791	Y	68.5	Low	66	Low	43 Å²	43	69.8 Å²	69.8	17%	0.169	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155	152.4	-178.1	61.2	-83.4	0	0	0	112.9	E769 L775 N776 D777 I785 R810	E769-Y791 HydrophobicContact CB-CD1 3.33Å; E769-Y791 HydrophobicContact CB-CE1 3.95Å; E769-Y791 HydrophobicContact CB-CG 4.11Å; E769-Y791 HydrophobicContact CG-CD1 3.74Å; E769-Y791 HydrophobicContact CG-CE1 4Å; L775-Y791 WeakPolarHBondContact O-CE1 3.32Å; L775-Y791 PolarHBondContact O-OH 3.49Å; N776-Y791 VanDerWaalsContact CA-CZ 3.47Å; N776-Y791 HydrophobicContact CB-CD1 4.21Å; N776-Y791 HydrophobicContact CB-CD2 3.58Å; N776-Y791 HydrophobicContact CB-CE1 4.13Å; N776-Y791 HydrophobicContact CB-CE2 3.52Å; N776-Y791 HydrophobicContact CB-CG 3.94Å; D777-Y791 PolarHBondContact N-OH 3.19Å; D777-Y791 PolarHBondContact OD1-OH 3.22Å; D777-Y791 VanDerWaalsContact OD1-OH 3.07Å; I785-Y791 CarbonylContact O-C 3.54Å; I785-Y791 WeakPolarHBondContact O-CA 3.47Å; Y791-R810 VanDerWaalsContact CE2-NH2 3.34Å
792	I	71.2	Confident	65.3	Low	89 Å²	89	75.9 Å²	75.9	46%	0.456	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	147	179.1	-52.7	179.5	0	0	0	109.1	C784 I785 T787	C784-I792 WeakPolarHBondContact CA-O 3.37Å; I785-I792 PolarHBondContact N-O 2.94Å; I785-I792 PolarHBondContact O-N 2.88Å; T787-I792 HydrophobicContact CG2-CD1 3.83Å; T787-I792 HydrophobicContact CG2-CG1 3.96Å
793	C	78.5	Confident	64.7	Low	3 Å²	3	80.7 Å²	80.7	2%	0.02	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	141.4	-178.9	-45.9	0	0	0	0	110.6	C778 I783 P808 G809 R810	C778-C793 WeakPolarHBondContact CA-SG 3.39Å; C778-C793 HydrophobicContact CB-CB 3.68Å; C778-C793 WeakPolarHBondContact CB-SG 3.32Å; C778-C793 WeakPolarHBondContact SG-CB 2.96Å; C778-C793 CovalentContact SG-SG 2.03Å; C778-C793 PolarHBondContact SG-SG 3.06Å; I783-C793 CarbonylContact O-C 3.6Å; I783-C793 WeakPolarHBondContact O-CA 3.45Å; C793-P808 WeakPolarHBondContact CB-O 3.24Å; C793-P808 CarbonylContact O-C 3.45Å; C793-G809 WeakPolarHBondContact O-CA 3.29Å; C793-G809 PolarHBondContact O-N 3.3Å; C793-R810 HydrophobicContact CB-CG 4.3Å
794	M	72.5	Confident	63.4	Low	113 Å²	113	82.4 Å²	82.4	56%	0.557	42%	0.415	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-138.1	130.4	177.2	-61.9	-179.9	72.7	0	0	112.4	A782 I783 I785	A782-M794 CarbonylContact C-O 3.48Å; A782-M794 WeakPolarHBondContact CA-O 3.34Å; A782-M794 WeakPolarHBondContact CB-O 3.45Å; I783-M794 PolarHBondContact N-O 3.39Å; I783-M794 PolarHBondContact O-N 3.41Å; I785-M794 HydrophobicContact CD1-SD 4.11Å
795	C	78.2	Confident	61.8	Low	36 Å²	36	90 Å²	90	24%	0.243	45%	0.445	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.7	147.7	-177.5	-61.9	0	0	0	0	114	D801 C812	C795-D801 WeakPolarHBondContact SG-CA 3.35Å; C795-D801 WeakPolarHBondContact SG-CB 3.41Å; C795-C812 WeakPolarHBondContact CA-SG 3.42Å; C795-C812 HydrophobicContact CB-CB 3.84Å; C795-C812 WeakPolarHBondContact CB-SG 3.39Å; C795-C812 WeakPolarHBondContact SG-CB 3.2Å; C795-C812 CovalentContact SG-SG 2.03Å; C795-C812 PolarHBondContact SG-SG 2.95Å
796	K	66.7	Low	61	Low	85 Å²	85	90.2 Å²	90.2	37%	0.37	45%	0.453	S	S	.	.	P	Polyproline II helix	trans	-82.6	153.3	174.7	-67	172.1	173.5	119.9	0	110.5	P780 N781 A782 I783 F799	P780-K796 PolarHBondContact O-NZ 3.19Å; N781-K796 VanDerWaalsContact O-CB 3.32Å; N781-K796 WeakPolarHBondContact O-CB 3.39Å; N781-K796 WeakPolarHBondContact O-CG 3.47Å; N781-K796 PolarHBondContact O-N 3.28Å; A782-K796 VanDerWaalsContact O-CE 3.24Å; A782-K796 WeakPolarHBondContact O-CE 3.15Å; A782-K796 PolarHBondContact O-NZ 2.94Å; I783-K796 HydrophobicContact CD1-CG 4.45Å; I783-K796 HydrophobicContact CG1-CG 3.95Å; K796-F799 PolarHBondContact O-N 3.04Å
797	P	57.3	Low	61	Low	117 Å²	117	92.3 Å²	92.3	76%	0.76	46%	0.46	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.2	150.1	173.1	-26.7	35.2	0	0	0	113.2	F799	P797-F799 VanDerWaalsContact C-N 3.25Å; P797-F799 WeakPolarHBondContact O-CD2 3.26Å; P797-F799 PolarHBondContact O-N 2.92Å
798	D	47.2	Very low	60.9	Low	116 Å²	116	92.9 Å²	92.9	62%	0.62	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.7	-3	-167.4	-60.3	-7.5	0	0	0	116.4	R814	D798-R814 WeakPolarHBondContact O-CG 3.38Å; D798-R814 IonicContact OD2-NH2 3.54Å
799	F	62	Low	61.9	Low	37 Å²	37	86.3 Å²	86.3	16%	0.162	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	130.8	179.9	-61.5	-100.8	0	0	0	111.7	N781 K796 P797 C812 E813 R814	N781-F799 HydrophobicContact CB-CB 3.96Å; N781-F799 HydrophobicContact CB-CD1 3.63Å; N781-F799 HydrophobicContact CB-CD2 4.01Å; N781-F799 HydrophobicContact CB-CE1 4.06Å; N781-F799 HydrophobicContact CB-CE2 4.42Å; N781-F799 HydrophobicContact CB-CG 3.6Å; N781-F799 HydrophobicContact CB-CZ 4.44Å; N781-F799 WeakPolarHBondContact ND2-CD1 3.32Å; N781-F799 WeakPolarHBondContact ND2-CE1 3.17Å; K796-F799 PolarHBondContact O-N 3.04Å; P797-F799 VanDerWaalsContact C-N 3.25Å; P797-F799 WeakPolarHBondContact O-CD2 3.26Å; P797-F799 PolarHBondContact O-N 2.92Å; F799-C812 HydrophobicContact CB-CB 4.02Å; F799-E813 CarbonylContact C-O 3.53Å; F799-E813 VanDerWaalsContact CA-O 3.27Å; F799-E813 WeakPolarHBondContact CA-O 3.31Å; F799-R814 HydrophobicContact CD1-CB 3.72Å; F799-R814 HydrophobicContact CD1-CG 3.98Å; F799-R814 HydrophobicContact CE1-CB 3.51Å; F799-R814 HydrophobicContact CE1-CG 3.64Å; F799-R814 HydrophobicContact CE2-CG 4.34Å; F799-R814 HydrophobicContact CG-CG 4.49Å; F799-R814 HydrophobicContact CZ-CB 4.22Å; F799-R814 HydrophobicContact CZ-CG 3.83Å
800	I	60.6	Low	63	Low	111 Å²	111	79.8 Å²	79.8	57%	0.569	40%	0.396	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.2	139.8	-177.1	-53.6	174.1	0	0	0	108.6	C812 E813 A815	I800-C812 CarbonylContact O-C 3.45Å; I800-C812 VanDerWaalsContact O-CA 3.28Å; I800-C812 WeakPolarHBondContact O-CA 3.11Å; I800-E813 PolarHBondContact N-O 3.22Å; I800-E813 PolarHBondContact O-N 3.1Å; I800-A815 HydrophobicContact CD1-CB 4.12Å
801	D	60.6	Low	63.2	Low	31 Å²	31	83.5 Å²	83.5	17%	0.166	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	135.4	176.7	-156.2	-17.5	0	0	0	111.5	C795 Y803 E804 P808 G809	C795-D801 WeakPolarHBondContact SG-CA 3.35Å; C795-D801 WeakPolarHBondContact SG-CB 3.41Å; D801-Y803 PolarHBondContact OD1-N 3.2Å; D801-Y803 VanDerWaalsContact OD1-N 3.16Å; D801-E804 HydrophobicContact CB-CB 4.38Å; D801-P808 VanDerWaalsContact OD2-CA 3.23Å; D801-P808 WeakPolarHBondContact OD2-CA 3.35Å; D801-G809 PolarHBondContact OD2-N 3.23Å
802	R	61.8	Low	63.3	Low	137 Å²	137	81.6 Å²	81.6	52%	0.517	40%	0.401	S	S	.	.	S	Bend	trans	-95.6	-8.7	-179.8	-147	-167.1	-134.3	-138.1	7.4	113	F811 E813	R802-F811 HydrophobicContact CB-CB 4.27Å; R802-F811 HydrophobicContact CB-CD1 4.17Å; R802-F811 WeakPolarHBondContact CB-O 3.38Å; R802-F811 PolarHBondContact N-O 3.42Å; R802-E813 IonicContact CZ-OE2 2.73Å; R802-E813 IonicContact NE-OE2 3.04Å; R802-E813 PolarHBondContact NE-OE2 3.16Å; R802-E813 IonicContact NH2-OE1 3.12Å; R802-E813 IonicContact NH2-OE2 2.75Å; R802-E813 PolarHBondContact NH2-OE2 2.85Å
803	Y	60	Low	62.5	Low	108 Å²	108	80.4 Å²	80.4	42%	0.424	39%	0.394	S	S	.	.			trans	-140.6	39.1	-175.6	-64.2	-67.9	0	0	0	112.5	D801 F805 S806 K807 F811	D801-Y803 PolarHBondContact OD1-N 3.2Å; D801-Y803 VanDerWaalsContact OD1-N 3.16Å; Y803-F805 PolarHBondContact O-N 3.34Å; Y803-S806 PolarHBondContact O-N 2.95Å; Y803-K807 CarbonylContact O-C 3.59Å; Y803-K807 VanDerWaalsContact O-C 3.29Å; Y803-K807 PolarHBondContact O-N 3.42Å; Y803-F811 HydrophobicContact CD2-CB 3.68Å; Y803-F811 HydrophobicContact CE2-CB 3.84Å; Y803-F811 HydrophobicContact CE2-CG 4.23Å
804	E	53.3	Low	61.2	Low	126 Å²	126	87 Å²	87	59%	0.589	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-46.7	-37.4	-172.3	-168.4	159.9	-157.6	0	0	114.7	D801	D801-E804 HydrophobicContact CB-CB 4.38Å
805	F	45.8	Very low	60	Low	197 Å²	197	85.1 Å²	85.1	86%	0.864	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.8	-0.3	-179.4	-58.1	-74.8	0	0	0	115.8	Y803	Y803-F805 PolarHBondContact O-N 3.34Å
806	S	51.6	Low	58.3	Low	89 Å²	89	89.5 Å²	89.5	62%	0.622	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	-131.3	-32.4	-174.4	51.1	0	0	0	0	114.7	Y803	Y803-S806 PolarHBondContact O-N 2.95Å
807	K	61.3	Low	57.4	Low	98 Å²	98	90.4 Å²	90.4	43%	0.426	46%	0.461	S	S	.	.	S	Bend	trans	-152.8	65.3	173.8	-85.1	-156.3	163.6	-146.9	0	110	D777 Y803 R810	D777-K807 IonicContact OD2-NZ 2.72Å; D777-K807 PolarHBondContact OD2-NZ 3.48Å; D777-K807 VanDerWaalsContact OD2-NZ 3.12Å; Y803-K807 CarbonylContact O-C 3.59Å; Y803-K807 VanDerWaalsContact O-C 3.29Å; Y803-K807 PolarHBondContact O-N 3.42Å; K807-R810 HydrophobicContact CB-CB 4.24Å; K807-R810 HydrophobicContact CB-CG 4.48Å; K807-R810 WeakPolarHBondContact O-CB 3.33Å; K807-R810 PolarHBondContact O-N 3.23Å
808	P	59.2	Low	57	Low	61 Å²	61	85.5 Å²	85.5	40%	0.396	43%	0.428	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.7	141.8	-176.3	20.5	-32.2	0	0	0	112.4	C793 D801 R810	C793-P808 WeakPolarHBondContact CB-O 3.24Å; C793-P808 CarbonylContact O-C 3.45Å; D801-P808 VanDerWaalsContact OD2-CA 3.23Å; D801-P808 WeakPolarHBondContact OD2-CA 3.35Å; P808-R810 PolarHBondContact O-N 2.86Å; P808-R810 VanDerWaalsContact O-N 3.12Å
809	G	67.8	Low	57.5	Low	0 Å²	0	84.9 Å²	84.9	0%	0	42%	0.42	C	S	.	.	T	Hydrogen-bonded Turn	trans	64.5	3.2	-178	0	0	0	0	0	116	S779 A782 C793 D801	S779-G809 WeakPolarHBondContact CB-O 3.21Å; S779-G809 PolarHBondContact N-O 2.55Å; A782-G809 WeakPolarHBondContact CB-O 3.34Å; C793-G809 WeakPolarHBondContact O-CA 3.29Å; C793-G809 PolarHBondContact O-N 3.3Å; D801-G809 PolarHBondContact OD2-N 3.23Å
810	R	75.7	Confident	57.3	Low	65 Å²	65	86 Å²	86	25%	0.245	43%	0.426	C	S	.	.	S	Bend	trans	-89.6	-15.5	-176.7	-62.9	178.7	-174.9	-151	4.5	113.5	D777 Y791 C793 K807 P808	D777-R810 WeakPolarHBondContact OD1-CD 3.4Å; D777-R810 IonicContact OD1-CZ 2.84Å; D777-R810 IonicContact OD1-NE 3.81Å; D777-R810 PolarHBondContact OD1-NE 2.82Å; D777-R810 VanDerWaalsContact OD1-NE 3.1Å; D777-R810 IonicContact OD1-NH1 3.5Å; D777-R810 PolarHBondContact OD1-NH1 3.33Å; D777-R810 IonicContact OD1-NH2 3.94Å; D777-R810 IonicContact OD2-CZ 3.64Å; D777-R810 IonicContact OD2-NH1 2.7Å; D777-R810 PolarHBondContact OD2-NH1 2.02Å; Y791-R810 VanDerWaalsContact CE2-NH2 3.34Å; C793-R810 HydrophobicContact CB-CG 4.3Å; K807-R810 HydrophobicContact CB-CB 4.24Å; K807-R810 HydrophobicContact CB-CG 4.48Å; K807-R810 WeakPolarHBondContact O-CB 3.33Å; K807-R810 PolarHBondContact O-N 3.23Å; P808-R810 PolarHBondContact O-N 2.86Å; P808-R810 VanDerWaalsContact O-N 3.12Å
811	F	68.6	Low	57.3	Low	92 Å²	92	82.6 Å²	82.6	40%	0.404	41%	0.412	S	S	.	.	S	Bend	trans	-145.9	89.5	173	-150.7	-80.2	0	0	0	113.1	R802 Y803 E813	R802-F811 HydrophobicContact CB-CB 4.27Å; R802-F811 HydrophobicContact CB-CD1 4.17Å; R802-F811 WeakPolarHBondContact CB-O 3.38Å; R802-F811 PolarHBondContact N-O 3.42Å; Y803-F811 HydrophobicContact CD2-CB 3.68Å; Y803-F811 HydrophobicContact CE2-CB 3.84Å; Y803-F811 HydrophobicContact CE2-CG 4.23Å; F811-E813 HydrophobicContact CD1-CG 4.04Å; F811-E813 HydrophobicContact CE1-CG 3.76Å
812	C	69.5	Low	57.2	Low	3 Å²	3	83.1 Å²	83.1	2%	0.02	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	115.5	-176.1	-52.1	0	0	0	0	111.5	S779 N781 C795 F799 I800	S779-C812 PolarHBondContact OG-N 2.04Å; S779-C812 VanDerWaalsContact OG-N 3.08Å; N781-C812 HydrophobicContact CB-CB 3.9Å; N781-C812 PolarHBondContact ND2-O 2.74Å; C795-C812 WeakPolarHBondContact CA-SG 3.42Å; C795-C812 HydrophobicContact CB-CB 3.84Å; C795-C812 WeakPolarHBondContact CB-SG 3.39Å; C795-C812 WeakPolarHBondContact SG-CB 3.2Å; C795-C812 CovalentContact SG-SG 2.03Å; C795-C812 PolarHBondContact SG-SG 2.95Å; F799-C812 HydrophobicContact CB-CB 4.02Å; I800-C812 CarbonylContact O-C 3.45Å; I800-C812 VanDerWaalsContact O-CA 3.28Å; I800-C812 WeakPolarHBondContact O-CA 3.11Å
813	E	55	Low	56.5	Low	64 Å²	64	81.3 Å²	81.3	30%	0.299	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	153.7	-179.6	-73.9	-162.2	119.1	0	0	113.3	F799 I800 R802 F811	F799-E813 CarbonylContact C-O 3.53Å; F799-E813 VanDerWaalsContact CA-O 3.27Å; F799-E813 WeakPolarHBondContact CA-O 3.31Å; I800-E813 PolarHBondContact N-O 3.22Å; I800-E813 PolarHBondContact O-N 3.1Å; R802-E813 IonicContact CZ-OE2 2.73Å; R802-E813 IonicContact NE-OE2 3.04Å; R802-E813 PolarHBondContact NE-OE2 3.16Å; R802-E813 IonicContact NH2-OE1 3.12Å; R802-E813 IonicContact NH2-OE2 2.75Å; R802-E813 PolarHBondContact NH2-OE2 2.85Å; F811-E813 HydrophobicContact CD1-CG 4.04Å; F811-E813 HydrophobicContact CE1-CG 3.76Å
814	R	50.4	Low	56.3	Low	142 Å²	142	79.9 Å²	79.9	54%	0.536	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	130.7	-175	-149.4	177.3	-170.2	174.9	3.8	111	D798 F799 H816	D798-R814 WeakPolarHBondContact O-CG 3.38Å; D798-R814 IonicContact OD2-NH2 3.54Å; F799-R814 HydrophobicContact CD1-CB 3.72Å; F799-R814 HydrophobicContact CD1-CG 3.98Å; F799-R814 HydrophobicContact CE1-CB 3.51Å; F799-R814 HydrophobicContact CE1-CG 3.64Å; F799-R814 HydrophobicContact CE2-CG 4.34Å; F799-R814 HydrophobicContact CG-CG 4.49Å; F799-R814 HydrophobicContact CZ-CB 4.22Å; F799-R814 HydrophobicContact CZ-CG 3.83Å; R814-H816 PolarHBondContact O-N 3.16Å
815	A	46.9	Very low	56.5	Low	72 Å²	72	81.1 Å²	81.1	60%	0.595	44%	0.437	S	S	*	.			trans	-60	110.2	-175.8	0	0	0	0	0	112.8	I800	I800-A815 HydrophobicContact CD1-CB 4.12Å
816	H	43.3	Very low	57.4	Low	128 Å²	128	73.8 Å²	73.8	59%	0.593	41%	0.407	S	S	*	.			trans	-101.8	115	172.9	-97.6	-105.2	0	0	0	109.8	R814 N818 M2506	R814-H816 PolarHBondContact O-N 3.16Å; H816-N818 PolarHBondContact O-N 3.34Å; H816-M2506 VanDerWaalsContact NE2-CE 3.32Å; H816-M2506 WeakPolarHBondContact NE2-CE 3.24Å
817	A	46.5	Very low	58.4	Low	105 Å²	105	73 Å²	73	87%	0.868	40%	0.395	S	S	*	.			trans	-63.4	108.8	179.7	0	0	0	0	0	111.7
818	N	49.6	Very low	58.9	Low	13 Å²	13	69.4 Å²	69.4	7%	0.07	38%	0.382	C	S	.	.			trans	-94	111.8	-179.7	175.7	14.3	0	0	0	110.8	H816 M820 C821 A836 G838 E841	H816-N818 PolarHBondContact O-N 3.34Å; N818-M820 PolarHBondContact O-N 3.13Å; N818-M820 PolarHBondContact OD1-N 2.92Å; N818-M820 VanDerWaalsContact OD1-N 3.12Å; N818-C821 PolarHBondContact O-N 2.91Å; N818-A836 HydrophobicContact CB-CB 3.52Å; N818-G838 VanDerWaalsContact CG-O 3.25Å; N818-G838 PolarHBondContact ND2-O 2.77Å; N818-G838 PolarHBondContact OD1-O 2.72Å; N818-E841 PolarHBondContact ND2-O 3.46Å; N818-E841 VanDerWaalsContact ND2-O 3.07Å
819	K	57	Low	59.4	Low	103 Å²	103	68.3 Å²	68.3	45%	0.448	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-7.4	-177.2	-63.8	-155.3	143.4	-72.9	0	114.8	E573 E822 R825	E573-K819 IonicContact OE1-NZ 2.81Å; K819-E822 WeakPolarHBondContact CA-OE1 3.31Å; K819-E822 VanDerWaalsContact CG-OE1 3.24Å; K819-E822 WeakPolarHBondContact CG-OE1 3.26Å; K819-E822 IonicContact NZ-OE1 2.78Å; K819-E822 PolarHBondContact NZ-OE1 3.18Å; K819-E822 IonicContact NZ-OE2 3.53Å; K819-R825 WeakPolarHBondContact O-CB 3.43Å; K819-R825 WeakPolarHBondContact O-CD 3.03Å
820	M	58	Low	59.3	Low	62 Å²	62	77.2 Å²	77.2	31%	0.305	41%	0.407	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.5	-23.7	170.7	-69	-170.5	170.7	0	0	113.3	N818 E822 R825 N826 N840 F842	N818-M820 PolarHBondContact O-N 3.13Å; N818-M820 PolarHBondContact OD1-N 2.92Å; N818-M820 VanDerWaalsContact OD1-N 3.12Å; M820-E822 PolarHBondContact O-N 3.01Å; M820-R825 CarbonylContact O-C 3.31Å; M820-N826 WeakPolarHBondContact O-CB 3.2Å; M820-N826 PolarHBondContact O-N 3.2Å; M820-N826 PolarHBondContact O-ND2 3.11Å; M820-N840 HydrophobicContact CE-CB 4.07Å; M820-N840 VanDerWaalsContact SD-C 3.6Å; M820-N840 HydrophobicContact SD-CB 4.35Å; M820-F842 HydrophobicContact CB-CD1 3.39Å; M820-F842 HydrophobicContact CB-CE1 3.77Å; M820-F842 HydrophobicContact CB-CG 4.26Å; M820-F842 HydrophobicContact CG-CD1 4.15Å; M820-F842 HydrophobicContact CG-CE1 4.24Å; M820-F842 HydrophobicContact SD-CD1 3.74Å; M820-F842 HydrophobicContact SD-CE1 3.6Å; M820-F842 VanDerWaalsContact SD-CE1 3.6Å
821	C	61.7	Low	58.8	Low	39 Å²	39	77.3 Å²	77.3	26%	0.264	41%	0.412	S	S	.	.	S	Bend	trans	-81.6	6.7	172.2	-65.1	0	0	0	0	113.7	N818 C834	N818-C821 PolarHBondContact O-N 2.91Å; C821-C834 WeakPolarHBondContact CA-SG 3.48Å; C821-C834 HydrophobicContact CB-CB 3.64Å; C821-C834 WeakPolarHBondContact CB-SG 3.43Å; C821-C834 WeakPolarHBondContact SG-CB 3.44Å; C821-C834 PolarHBondContact SG-O 3.43Å; C821-C834 CovalentContact SG-SG 2.05Å; C821-C834 PolarHBondContact SG-SG 3.09Å
822	E	57.5	Low	58.8	Low	41 Å²	41	73.7 Å²	73.7	19%	0.192	40%	0.4	C	S	.	.	S	Bend	trans	-68.1	137.4	163.2	-68.5	162.3	-172.7	0	0	109.4	K819 M820 G824 R825 N826	K819-E822 WeakPolarHBondContact CA-OE1 3.31Å; K819-E822 VanDerWaalsContact CG-OE1 3.24Å; K819-E822 WeakPolarHBondContact CG-OE1 3.26Å; K819-E822 IonicContact NZ-OE1 2.78Å; K819-E822 PolarHBondContact NZ-OE1 3.18Å; K819-E822 IonicContact NZ-OE2 3.53Å; M820-E822 PolarHBondContact O-N 3.01Å; E822-G824 PolarHBondContact O-N 2.66Å; E822-R825 PolarHBondContact O-N 3.45Å; E822-R825 IonicContact OE2-CZ 2.71Å; E822-R825 IonicContact OE2-NE 2.62Å; E822-R825 IonicContact OE2-NH1 2.88Å; E822-R825 PolarHBondContact OE2-NH1 2.8Å; E822-N826 PolarHBondContact O-ND2 3.03Å
823	P	48.7	Very low	58.9	Low	99 Å²	99	79 Å²	79	64%	0.643	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	127.8	-174.9	-26.1	34.5	0	0	0	112.5	T571	T571-P823 HydrophobicContact CG2-CB 4.09Å; T571-P823 HydrophobicContact CG2-CG 4.19Å
824	G	54.2	Low	59.9	Low	79 Å²	79	77.6 Å²	77.6	81%	0.814	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.2	9.2	-175.6	0	0	0	0	0	115.5	E822	E822-G824 PolarHBondContact O-N 2.66Å
825	R	58.6	Low	60.5	Low	152 Å²	152	75.8 Å²	75.8	57%	0.574	42%	0.417	S	S	*	.	S	Bend	trans	-111.6	-5.9	169.3	-72.2	-171.2	161.6	148.2	5.4	115	K819 M820 E822	K819-R825 WeakPolarHBondContact O-CB 3.43Å; K819-R825 WeakPolarHBondContact O-CD 3.03Å; M820-R825 CarbonylContact O-C 3.31Å; E822-R825 PolarHBondContact O-N 3.45Å; E822-R825 IonicContact OE2-CZ 2.71Å; E822-R825 IonicContact OE2-NE 2.62Å; E822-R825 IonicContact OE2-NH1 2.88Å; E822-R825 PolarHBondContact OE2-NH1 2.8Å
826	N	64.5	Low	61.1	Low	42 Å²	42	75.1 Å²	75.1	23%	0.225	41%	0.412	C	S	.	.	S	Bend	trans	-108.4	164.4	169.5	51.7	85.4	0	0	0	110.5	M820 E822 C828 F842	M820-N826 WeakPolarHBondContact O-CB 3.2Å; M820-N826 PolarHBondContact O-N 3.2Å; M820-N826 PolarHBondContact O-ND2 3.11Å; E822-N826 PolarHBondContact O-ND2 3.03Å; N826-C828 WeakPolarHBondContact OD1-CB 3.47Å; N826-F842 HydrophobicContact CB-CD2 3.73Å; N826-F842 HydrophobicContact CB-CE1 4.26Å; N826-F842 HydrophobicContact CB-CE2 3.41Å; N826-F842 VanDerWaalsContact CB-CE2 3.41Å; N826-F842 HydrophobicContact CB-CG 4.29Å; N826-F842 HydrophobicContact CB-CZ 3.7Å
827	D	72.1	Confident	61.7	Low	72 Å²	72	76 Å²	76	39%	0.385	41%	0.414	S	S	.	.			trans	-115.5	48.4	170.7	59	-3	0	0	0	109.9	F842 R860 R863	D827-F842 WeakPolarHBondContact OD1-CE2 3.5Å; D827-F842 WeakPolarHBondContact OD1-CZ 3.41Å; D827-R860 IonicContact OD1-NH2 3.15Å; D827-R860 PolarHBondContact OD1-NH2 2.87Å; D827-R860 VanDerWaalsContact OD1-NH2 3.16Å; D827-R860 IonicContact OD2-CZ 2.71Å; D827-R860 IonicContact OD2-NH1 2.84Å; D827-R860 IonicContact OD2-NH2 2.7Å; D827-R860 PolarHBondContact OD2-NH2 3.07Å; D827-R863 PolarHBondContact O-NH1 3.49Å; D827-R863 PolarHBondContact O-NH2 3.14Å; D827-R863 IonicContact OD1-CZ 2.99Å; D827-R863 VanDerWaalsContact OD1-CZ 3.31Å; D827-R863 IonicContact OD1-NH1 3.52Å; D827-R863 PolarHBondContact OD1-NH1 2.98Å; D827-R863 VanDerWaalsContact OD1-NH1 3.12Å; D827-R863 IonicContact OD1-NH2 2.72Å; D827-R863 PolarHBondContact OD1-NH2 2.82Å; D827-R863 IonicContact OD2-CZ 3.65Å; D827-R863 IonicContact OD2-NH1 2.63Å; D827-R863 PolarHBondContact OD2-NH1 3.07Å; D827-R863 IonicContact OD2-NH2 3.16Å
828	C	72.7	Confident	61.8	Low	23 Å²	23	72.3 Å²	72.3	16%	0.155	39%	0.386	C	S	.	.			trans	-85.3	163.1	169.1	-59.8	0	0	0	0	111.4	N826 A832 C844 G862	N826-C828 WeakPolarHBondContact OD1-CB 3.47Å; C828-A832 HydrophobicContact CB-CB 4.25Å; C828-C844 WeakPolarHBondContact CA-SG 3.49Å; C828-C844 HydrophobicContact CB-CB 3.54Å; C828-C844 WeakPolarHBondContact CB-SG 3.4Å; C828-C844 WeakPolarHBondContact SG-CB 3.37Å; C828-C844 CovalentContact SG-SG 2.02Å; C828-C844 PolarHBondContact SG-SG 2.97Å; C828-G862 WeakPolarHBondContact CA-O 3.05Å
829	D	68.2	Low	61.8	Low	38 Å²	38	75.3 Å²	75.3	20%	0.203	41%	0.412	C	S	.	.			trans	-63.6	156.8	162.8	-156.8	-63.8	0	0	0	110.2	N831 A832 G862 V864 C865	D829-N831 PolarHBondContact OD1-N 3.19Å; D829-A832 HydrophobicContact CB-CB 3.84Å; D829-A832 PolarHBondContact O-N 3.08Å; D829-G862 PolarHBondContact N-O 2.77Å; D829-V864 WeakPolarHBondContact OD2-CA 3.37Å; D829-C865 HydrophobicContact CB-CB 3.93Å; D829-C865 PolarHBondContact OD2-N 2.94Å
830	R	67.1	Low	61.8	Low	187 Å²	187	75.9 Å²	75.9	71%	0.706	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.5	-27.2	167.8	-101.2	-177.2	168.2	-142.6	-4.5	112.8	A832	R830-A832 VanDerWaalsContact C-N 3.29Å
831	N	63.9	Low	61.7	Low	67 Å²	67	79.1 Å²	79.1	36%	0.358	44%	0.435	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.7	15.3	176.2	-50.5	-21.5	0	0	0	111.7	D829 P847 Y850 C865	D829-N831 PolarHBondContact OD1-N 3.19Å; N831-P847 WeakPolarHBondContact O-CD 3.46Å; N831-Y850 HydrophobicContact CB-CD1 3.74Å; N831-Y850 HydrophobicContact CB-CE1 3.69Å; N831-C865 HydrophobicContact CB-CB 3.78Å; N831-C865 WeakPolarHBondContact CB-O 3.32Å; N831-C865 PolarHBondContact ND2-O 3.03Å; N831-C865 WeakPolarHBondContact O-CB 3.4Å
832	A	70.2	Confident	62.2	Low	17 Å²	17	78.9 Å²	78.9	14%	0.14	43%	0.429	C	S	.	.	S	Bend	trans	-112.2	138.5	176.3	0	0	0	0	0	111.2	C828 D829 R830 C844 V845 G862 C865	C828-A832 HydrophobicContact CB-CB 4.25Å; D829-A832 HydrophobicContact CB-CB 3.84Å; D829-A832 PolarHBondContact O-N 3.08Å; R830-A832 VanDerWaalsContact C-N 3.29Å; A832-C844 HydrophobicContact CB-CB 3.99Å; A832-V845 CarbonylContact C-O 3.49Å; A832-V845 WeakPolarHBondContact CA-O 3.06Å; A832-G862 WeakPolarHBondContact CB-O 3.3Å; A832-C865 WeakPolarHBondContact CB-SG 3.06Å
833	E	69.8	Low	62.9	Low	113 Å²	113	77.9 Å²	77.9	53%	0.528	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	132.4	165.2	-74.9	-167	133.5	0	0	110.4	F835 C844 V845 P847	E833-F835 HydrophobicContact CB-CD2 4.16Å; E833-F835 HydrophobicContact CB-CE2 3.47Å; E833-F835 VanDerWaalsContact CB-CE2 3.47Å; E833-F835 HydrophobicContact CB-CZ 3.95Å; E833-F835 WeakPolarHBondContact O-CD2 3.43Å; E833-F835 PolarHBondContact O-N 2.76Å; E833-F835 WeakPolarHBondContact OE2-CZ 3.31Å; E833-C844 CarbonylContact O-C 3.49Å; E833-C844 VanDerWaalsContact O-CA 3.31Å; E833-C844 WeakPolarHBondContact O-CA 2.95Å; E833-V845 PolarHBondContact N-O 2.9Å; E833-V845 PolarHBondContact O-N 2.79Å; E833-P847 HydrophobicContact CG-CG 4.33Å
834	C	76.2	Confident	64.3	Low	35 Å²	35	73.2 Å²	73.2	24%	0.236	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	100.3	178.4	-173.8	0	0	0	0	110.3	C821	C821-C834 WeakPolarHBondContact CA-SG 3.48Å; C821-C834 HydrophobicContact CB-CB 3.64Å; C821-C834 WeakPolarHBondContact CB-SG 3.43Å; C821-C834 WeakPolarHBondContact SG-CB 3.44Å; C821-C834 PolarHBondContact SG-O 3.43Å; C821-C834 CovalentContact SG-SG 2.05Å; C821-C834 PolarHBondContact SG-SG 3.09Å
835	F	63.4	Low	65.2	Low	104 Å²	104	72.3 Å²	72.3	46%	0.456	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	133.2	175.8	-67	-87.8	0	0	0	111.4	E833 K837 F842 V843 V845	E833-F835 HydrophobicContact CB-CD2 4.16Å; E833-F835 HydrophobicContact CB-CE2 3.47Å; E833-F835 VanDerWaalsContact CB-CE2 3.47Å; E833-F835 HydrophobicContact CB-CZ 3.95Å; E833-F835 WeakPolarHBondContact O-CD2 3.43Å; E833-F835 PolarHBondContact O-N 2.76Å; E833-F835 WeakPolarHBondContact OE2-CZ 3.31Å; F835-K837 PolarHBondContact O-N 2.91Å; F835-F842 CarbonylContact O-C 3.57Å; F835-F842 WeakPolarHBondContact O-CA 3.26Å; F835-V843 WeakPolarHBondContact CA-O 3.45Å; F835-V843 WeakPolarHBondContact CB-O 3.08Å; F835-V843 PolarHBondContact N-O 2.61Å; F835-V843 PolarHBondContact O-N 2.66Å; F835-V843 VanDerWaalsContact O-O 3.07Å; F835-V845 HydrophobicContact CD2-CB 3.86Å; F835-V845 HydrophobicContact CD2-CG2 3.73Å; F835-V845 HydrophobicContact CE2-CB 3.81Å; F835-V845 HydrophobicContact CE2-CG2 4.15Å
836	A	60.9	Low	65.8	Low	58 Å²	58	65.9 Å²	65.9	48%	0.479	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	113.2	178.5	0	0	0	0	0	111.8	N818	N818-A836 HydrophobicContact CB-CB 3.52Å
837	K	55.5	Low	65.6	Low	148 Å²	148	66.1 Å²	66.1	64%	0.643	36%	0.356	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.2	-18.8	166.2	-81	-161.6	-179	171.1	0	113.1	F835 E841 V843	F835-K837 PolarHBondContact O-N 2.91Å; K837-E841 CarbonylContact C-O 3.45Å; K837-E841 PolarHBondContact N-O 3.13Å; K837-V843 HydrophobicContact CD-CB 4.21Å; K837-V843 HydrophobicContact CD-CG2 3.51Å; K837-V843 VanDerWaalsContact CE-CG2 3.48Å; K837-V843 HydrophobicContact CG-CB 4.23Å; K837-V843 HydrophobicContact CG-CG2 3.96Å
838	G	48.5	Very low	64.3	Low	27 Å²	27	68.9 Å²	68.9	28%	0.278	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-172.4	-180	-179.9	0	0	0	0	0	113.5	N818 N840 E841	N818-G838 VanDerWaalsContact CG-O 3.25Å; N818-G838 PolarHBondContact ND2-O 2.77Å; N818-G838 PolarHBondContact OD1-O 2.72Å; G838-N840 PolarHBondContact O-N 3.48Å; G838-N840 VanDerWaalsContact O-N 3.12Å; G838-E841 PolarHBondContact N-O 3.42Å; G838-E841 PolarHBondContact O-N 2.92Å; G838-E841 VanDerWaalsContact O-O 3.1Å
839	A	50	Low	63	Low	76 Å²	76	69.9 Å²	69.9	63%	0.628	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.9	-12.4	-171.4	0	0	0	0	0	115.7
840	N	55.6	Low	62.3	Low	115 Å²	115	72.4 Å²	72.4	62%	0.615	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-148.1	37.1	169.1	-80.1	-43.2	0	0	0	108.4	M820 G838	M820-N840 HydrophobicContact CE-CB 4.07Å; M820-N840 VanDerWaalsContact SD-C 3.6Å; M820-N840 HydrophobicContact SD-CB 4.35Å; G838-N840 PolarHBondContact O-N 3.48Å; G838-N840 VanDerWaalsContact O-N 3.12Å
841	E	56.5	Low	61.9	Low	129 Å²	129	67.5 Å²	67.5	60%	0.603	39%	0.388	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-145.5	121.5	-169.7	-151.1	168.9	-127	0	0	108.6	N818 K837 G838	N818-E841 PolarHBondContact ND2-O 3.46Å; N818-E841 VanDerWaalsContact ND2-O 3.07Å; K837-E841 CarbonylContact C-O 3.45Å; K837-E841 PolarHBondContact N-O 3.13Å; G838-E841 PolarHBondContact N-O 3.42Å; G838-E841 PolarHBondContact O-N 2.92Å; G838-E841 VanDerWaalsContact O-O 3.1Å
842	F	72.8	Confident	61.7	Low	34 Å²	34	66.5 Å²	66.5	15%	0.149	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	154.1	-173.1	61.5	-80.5	0	0	0	110.3	M820 N826 D827 F835	M820-F842 HydrophobicContact CB-CD1 3.39Å; M820-F842 HydrophobicContact CB-CE1 3.77Å; M820-F842 HydrophobicContact CB-CG 4.26Å; M820-F842 HydrophobicContact CG-CD1 4.15Å; M820-F842 HydrophobicContact CG-CE1 4.24Å; M820-F842 HydrophobicContact SD-CD1 3.74Å; M820-F842 HydrophobicContact SD-CE1 3.6Å; M820-F842 VanDerWaalsContact SD-CE1 3.6Å; N826-F842 HydrophobicContact CB-CD2 3.73Å; N826-F842 HydrophobicContact CB-CE1 4.26Å; N826-F842 HydrophobicContact CB-CE2 3.41Å; N826-F842 VanDerWaalsContact CB-CE2 3.41Å; N826-F842 HydrophobicContact CB-CG 4.29Å; N826-F842 HydrophobicContact CB-CZ 3.7Å; D827-F842 WeakPolarHBondContact OD1-CE2 3.5Å; D827-F842 WeakPolarHBondContact OD1-CZ 3.41Å; F835-F842 CarbonylContact O-C 3.57Å; F835-F842 WeakPolarHBondContact O-CA 3.26Å
843	V	71.3	Confident	61.6	Low	21 Å²	21	71.5 Å²	71.5	13%	0.127	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	132.3	169	164.3	0	0	0	0	106.8	F835 K837 V845 P861	F835-V843 WeakPolarHBondContact CA-O 3.45Å; F835-V843 WeakPolarHBondContact CB-O 3.08Å; F835-V843 PolarHBondContact N-O 2.61Å; F835-V843 PolarHBondContact O-N 2.66Å; F835-V843 VanDerWaalsContact O-O 3.07Å; K837-V843 HydrophobicContact CD-CB 4.21Å; K837-V843 HydrophobicContact CD-CG2 3.51Å; K837-V843 VanDerWaalsContact CE-CG2 3.48Å; K837-V843 HydrophobicContact CG-CB 4.23Å; K837-V843 HydrophobicContact CG-CG2 3.96Å; V843-V845 HydrophobicContact CG1-CG2 4.23Å; V843-P861 HydrophobicContact CG1-CG 3.66Å
844	C	78.4	Confident	61.3	Low	0 Å²	0	66.3 Å²	66.3	0%	0	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	147.2	178.4	-35.8	0	0	0	0	107.3	C828 A832 E833 P861 G862	C828-C844 WeakPolarHBondContact CA-SG 3.49Å; C828-C844 HydrophobicContact CB-CB 3.54Å; C828-C844 WeakPolarHBondContact CB-SG 3.4Å; C828-C844 WeakPolarHBondContact SG-CB 3.37Å; C828-C844 CovalentContact SG-SG 2.02Å; C828-C844 PolarHBondContact SG-SG 2.97Å; A832-C844 HydrophobicContact CB-CB 3.99Å; E833-C844 CarbonylContact O-C 3.49Å; E833-C844 VanDerWaalsContact O-CA 3.31Å; E833-C844 WeakPolarHBondContact O-CA 2.95Å; C844-P861 VanDerWaalsContact CB-O 3.29Å; C844-P861 WeakPolarHBondContact CB-O 3.3Å; C844-P861 CarbonylContact O-C 3.11Å; C844-P861 VanDerWaalsContact O-O 3.08Å; C844-G862 VanDerWaalsContact CB-C 3.45Å; C844-G862 VanDerWaalsContact CB-CA 3.49Å; C844-G862 WeakPolarHBondContact CB-O 3.42Å; C844-G862 PolarHBondContact O-N 3.25Å
845	V	72.9	Confident	60.2	Low	60 Å²	60	69.8 Å²	69.8	36%	0.364	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	140.9	174.9	-173.4	0	0	0	0	108.1	A832 E833 F835 V843	A832-V845 CarbonylContact C-O 3.49Å; A832-V845 WeakPolarHBondContact CA-O 3.06Å; E833-V845 PolarHBondContact N-O 2.9Å; E833-V845 PolarHBondContact O-N 2.79Å; F835-V845 HydrophobicContact CD2-CB 3.86Å; F835-V845 HydrophobicContact CD2-CG2 3.73Å; F835-V845 HydrophobicContact CE2-CB 3.81Å; F835-V845 HydrophobicContact CE2-CG2 4.15Å; V843-V845 HydrophobicContact CG1-CG2 4.23Å
846	C	72.3	Confident	59.8	Low	18 Å²	18	69.1 Å²	69.1	12%	0.122	40%	0.4	C	S	.	.	P	Polyproline II helix	trans	-76.7	136.4	176.7	-49.6	0	0	0	0	110.4	Y850 D852 C865	C846-Y850 VanDerWaalsContact CB-O 3.23Å; C846-Y850 WeakPolarHBondContact CB-O 3.38Å; C846-D852 HydrophobicContact CB-CB 4.47Å; C846-D852 WeakPolarHBondContact SG-CA 3.19Å; C846-D852 WeakPolarHBondContact SG-CB 3.09Å; C846-C865 WeakPolarHBondContact CA-SG 3.33Å; C846-C865 HydrophobicContact CB-CB 3.8Å; C846-C865 WeakPolarHBondContact CB-SG 3.45Å; C846-C865 WeakPolarHBondContact SG-CA 3.27Å; C846-C865 WeakPolarHBondContact SG-CB 3.43Å; C846-C865 CovalentContact SG-SG 2.03Å; C846-C865 PolarHBondContact SG-SG 2.88Å
847	P	58.9	Low	59.3	Low	47 Å²	47	69.6 Å²	69.6	31%	0.305	40%	0.399	S	S	.	.	P	Polyproline II helix	trans	-61.6	161.5	172.4	-23	34.4	0	0	0	112.5	N831 E833 G849 Y850	N831-P847 WeakPolarHBondContact O-CD 3.46Å; E833-P847 HydrophobicContact CG-CG 4.33Å; P847-G849 PolarHBondContact O-N 3.36Å; P847-Y850 HydrophobicContact CB-CD2 4.44Å; P847-Y850 PolarHBondContact O-N 2.7Å
848	S	44.1	Very low	59.1	Low	130 Å²	130	70.9 Å²	70.9	91%	0.909	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.6	130.9	164.9	-58.6	0	0	0	0	109.8
849	G	47	Very low	59.5	Low	43 Å²	43	72.9 Å²	72.9	44%	0.443	42%	0.42	S	S	.	.	T	Hydrogen-bonded Turn	trans	92.2	6	-167.3	0	0	0	0	0	114.8	P847 P867 H868	P847-G849 PolarHBondContact O-N 3.36Å; G849-P867 CarbonylContact O-C 3.37Å; G849-P867 WeakPolarHBondContact O-CA 3.08Å; G849-H868 WeakPolarHBondContact O-CB 3.4Å; G849-H868 PolarHBondContact O-N 3Å
850	Y	53.6	Low	60.2	Low	91 Å²	91	75 Å²	75	36%	0.357	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	126.5	172.3	-69.2	-100.5	0	0	0	112	N831 C846 P847 L866 P867	N831-Y850 HydrophobicContact CB-CD1 3.74Å; N831-Y850 HydrophobicContact CB-CE1 3.69Å; C846-Y850 VanDerWaalsContact CB-O 3.23Å; C846-Y850 WeakPolarHBondContact CB-O 3.38Å; P847-Y850 HydrophobicContact CB-CD2 4.44Å; P847-Y850 PolarHBondContact O-N 2.7Å; Y850-L866 CarbonylContact C-O 3.57Å; Y850-L866 WeakPolarHBondContact CA-O 3.08Å; Y850-P867 VanDerWaalsContact CD1-CA 3.44Å; Y850-P867 HydrophobicContact CD1-CB 4.01Å; Y850-P867 HydrophobicContact CE1-CB 3.76Å; Y850-P867 HydrophobicContact CE1-CG 4.32Å
851	Q	57.7	Low	60.6	Low	85 Å²	85	70.7 Å²	70.7	40%	0.397	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	139.8	171.9	-76	-167.3	-2	0	0	112.2	K853 L866	Q851-K853 PolarHBondContact O-N 3.35Å; Q851-L866 PolarHBondContact N-O 2.83Å; Q851-L866 PolarHBondContact O-N 2.87Å
852	D	61	Low	61.2	Low	45 Å²	45	64.5 Å²	64.5	24%	0.241	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	99.6	176.9	-166.4	-20.9	0	0	0	112.2	C846 S854 P861 G862	C846-D852 HydrophobicContact CB-CB 4.47Å; C846-D852 WeakPolarHBondContact SG-CA 3.19Å; C846-D852 WeakPolarHBondContact SG-CB 3.09Å; D852-S854 WeakPolarHBondContact OD1-CB 3.31Å; D852-S854 PolarHBondContact OD1-N 2.85Å; D852-S854 PolarHBondContact OD1-OG 2.96Å; D852-P861 WeakPolarHBondContact OD2-CA 3.49Å; D852-P861 WeakPolarHBondContact OD2-CB 3.02Å; D852-G862 PolarHBondContact OD1-N 3.46Å; D852-G862 PolarHBondContact OD2-N 2.77Å
853	K	66.9	Low	61.3	Low	122 Å²	122	65.3 Å²	65.3	53%	0.53	36%	0.363	S	S	.	.			trans	-104.9	29.6	176	-56.5	-149	177.4	-177.6	0	112.4	Q851 V864 L866	Q851-K853 PolarHBondContact O-N 3.35Å; K853-V864 HydrophobicContact CB-CG1 4.22Å; K853-V864 PolarHBondContact N-O 2.82Å; K853-L866 HydrophobicContact CB-CD1 4.28Å; K853-L866 HydrophobicContact CD-CD1 4.16Å; K853-L866 HydrophobicContact CG-CD1 4.24Å
854	S	63.8	Low	61.1	Low	4 Å²	4	66.5 Å²	66.5	3%	0.028	37%	0.371	C	S	.	.			trans	-54.9	142.9	174.2	-61	0	0	0	0	111.2	D852 N856 P857 G862 R863	D852-S854 WeakPolarHBondContact OD1-CB 3.31Å; D852-S854 PolarHBondContact OD1-N 2.85Å; D852-S854 PolarHBondContact OD1-OG 2.96Å; S854-N856 PolarHBondContact O-N 2.96Å; S854-P857 WeakPolarHBondContact O-CD 3.09Å; S854-P857 WeakPolarHBondContact O-CG 3.48Å; S854-G862 PolarHBondContact OG-N 3.06Å; S854-R863 PolarHBondContact OG-N 3.45Å
855	P	53.5	Low	60.4	Low	108 Å²	108	66.5 Å²	66.5	70%	0.701	37%	0.371	S	S	*	.	S	Bend	trans	-62.5	6.2	178.4	-26	35.3	0	0	0	116.4
856	N	54.7	Low	59.6	Low	90 Å²	90	67.6 Å²	67.6	48%	0.481	37%	0.374	S	S	.	.			trans	-163.4	69.7	176.8	-119	-97.2	0	0	0	109.8	S854 I858 S859 R860	S854-N856 PolarHBondContact O-N 2.96Å; N856-I858 PolarHBondContact O-N 3.48Å; N856-I858 VanDerWaalsContact O-N 3.12Å; N856-S859 WeakPolarHBondContact CB-OG 3.01Å; N856-S859 PolarHBondContact O-N 3.4Å; N856-S859 PolarHBondContact OD1-OG 2.03Å; N856-R860 CarbonylContact O-C 3.43Å; N856-R860 PolarHBondContact O-N 3.37Å
857	P	50.2	Low	58.4	Low	69 Å²	69	70.1 Å²	70.1	45%	0.448	39%	0.39	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-31	-172.8	-21.5	34	0	0	0	112.6	S854 P861	S854-P857 WeakPolarHBondContact O-CD 3.09Å; S854-P857 WeakPolarHBondContact O-CG 3.48Å; P857-P861 WeakPolarHBondContact O-CB 3.05Å; P857-P861 VanDerWaalsContact O-CD 3.28Å; P857-P861 WeakPolarHBondContact O-CD 3.5Å; P857-P861 VanDerWaalsContact O-CG 3.29Å; P857-P861 WeakPolarHBondContact O-CG 3.38Å
858	I	51.6	Low	57.9	Low	175 Å²	175	71.6 Å²	71.6	90%	0.897	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.5	-23.4	-179.3	-58.6	172.2	0	0	0	112.7	N856	N856-I858 PolarHBondContact O-N 3.48Å; N856-I858 VanDerWaalsContact O-N 3.12Å
859	S	56.1	Low	58.1	Low	69 Å²	69	69.5 Å²	69.5	48%	0.483	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	-123.3	-31.7	-173	79.3	0	0	0	0	115.5	N856	N856-S859 WeakPolarHBondContact CB-OG 3.01Å; N856-S859 PolarHBondContact O-N 3.4Å; N856-S859 PolarHBondContact OD1-OG 2.03Å
860	R	65.1	Low	58.5	Low	121 Å²	121	69.6 Å²	69.6	46%	0.457	36%	0.363	S	S	.	.	S	Bend	trans	-143.8	68.2	173.4	-47.8	-178.5	77.3	-161.2	-0.4	110.9	D827 N856 R863	D827-R860 IonicContact OD1-NH2 3.15Å; D827-R860 PolarHBondContact OD1-NH2 2.87Å; D827-R860 VanDerWaalsContact OD1-NH2 3.16Å; D827-R860 IonicContact OD2-CZ 2.71Å; D827-R860 IonicContact OD2-NH1 2.84Å; D827-R860 IonicContact OD2-NH2 2.7Å; D827-R860 PolarHBondContact OD2-NH2 3.07Å; N856-R860 CarbonylContact O-C 3.43Å; N856-R860 PolarHBondContact O-N 3.37Å; R860-R863 VanDerWaalsContact CZ-NH2 3.32Å; R860-R863 WeakPolarHBondContact O-CD 3.4Å; R860-R863 WeakPolarHBondContact O-CG 3.4Å; R860-R863 PolarHBondContact O-NE 2.93Å; R860-R863 VanDerWaalsContact O-NE 3.13Å
861	P	63.9	Low	58.7	Low	23 Å²	23	66.7 Å²	66.7	15%	0.149	36%	0.355	C	S	.	.			trans	-62.4	173.7	175.9	19.3	-23.4	0	0	0	113.5	V843 C844 D852 P857	V843-P861 HydrophobicContact CG1-CG 3.66Å; C844-P861 VanDerWaalsContact CB-O 3.29Å; C844-P861 WeakPolarHBondContact CB-O 3.3Å; C844-P861 CarbonylContact O-C 3.11Å; C844-P861 VanDerWaalsContact O-O 3.08Å; D852-P861 WeakPolarHBondContact OD2-CA 3.49Å; D852-P861 WeakPolarHBondContact OD2-CB 3.02Å; P857-P861 WeakPolarHBondContact O-CB 3.05Å; P857-P861 VanDerWaalsContact O-CD 3.28Å; P857-P861 WeakPolarHBondContact O-CD 3.5Å; P857-P861 VanDerWaalsContact O-CG 3.29Å; P857-P861 WeakPolarHBondContact O-CG 3.38Å
862	G	69.4	Low	58.8	Low	0 Å²	0	63.9 Å²	63.9	0%	0	35%	0.345	C	S	.	.	S	Bend	trans	62.8	37.6	175	0	0	0	0	0	116.8	C828 D829 A832 C844 D852 S854	C828-G862 WeakPolarHBondContact CA-O 3.05Å; D829-G862 PolarHBondContact N-O 2.77Å; A832-G862 WeakPolarHBondContact CB-O 3.3Å; C844-G862 VanDerWaalsContact CB-C 3.45Å; C844-G862 VanDerWaalsContact CB-CA 3.49Å; C844-G862 WeakPolarHBondContact CB-O 3.42Å; C844-G862 PolarHBondContact O-N 3.25Å; D852-G862 PolarHBondContact OD1-N 3.46Å; D852-G862 PolarHBondContact OD2-N 2.77Å; S854-G862 PolarHBondContact OG-N 3.06Å
863	R	74.3	Confident	58.3	Low	50 Å²	50	64.9 Å²	64.9	19%	0.189	35%	0.35	C	S	.	.	S	Bend	trans	-107.1	-21	179.2	-59.8	-179.5	172.9	-86.7	-37.7	113.8	D827 S854 R860	D827-R863 PolarHBondContact O-NH1 3.49Å; D827-R863 PolarHBondContact O-NH2 3.14Å; D827-R863 IonicContact OD1-CZ 2.99Å; D827-R863 VanDerWaalsContact OD1-CZ 3.31Å; D827-R863 IonicContact OD1-NH1 3.52Å; D827-R863 PolarHBondContact OD1-NH1 2.98Å; D827-R863 VanDerWaalsContact OD1-NH1 3.12Å; D827-R863 IonicContact OD1-NH2 2.72Å; D827-R863 PolarHBondContact OD1-NH2 2.82Å; D827-R863 IonicContact OD2-CZ 3.65Å; D827-R863 IonicContact OD2-NH1 2.63Å; D827-R863 PolarHBondContact OD2-NH1 3.07Å; D827-R863 IonicContact OD2-NH2 3.16Å; S854-R863 PolarHBondContact OG-N 3.45Å; R860-R863 VanDerWaalsContact CZ-NH2 3.32Å; R860-R863 WeakPolarHBondContact O-CD 3.4Å; R860-R863 WeakPolarHBondContact O-CG 3.4Å; R860-R863 PolarHBondContact O-NE 2.93Å; R860-R863 VanDerWaalsContact O-NE 3.13Å
864	V	67.6	Low	57.5	Low	47 Å²	47	61.1 Å²	61.1	29%	0.285	34%	0.336	S	S	.	.	S	Bend	trans	-138.3	95.7	173.9	-178.9	0	0	0	0	104.5	D829 K853 L866	D829-V864 WeakPolarHBondContact OD2-CA 3.37Å; K853-V864 HydrophobicContact CB-CG1 4.22Å; K853-V864 PolarHBondContact N-O 2.82Å; V864-L866 HydrophobicContact CG1-CD1 4.32Å; V864-L866 HydrophobicContact CG1-CD2 4.05Å; V864-L866 HydrophobicContact CG1-CG 4Å
865	C	64.9	Low	56.8	Low	0 Å²	0	63.6 Å²	63.6	0%	0	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	99	179.7	-72.8	0	0	0	0	108.7	D829 N831 A832 C846	D829-C865 HydrophobicContact CB-CB 3.93Å; D829-C865 PolarHBondContact OD2-N 2.94Å; N831-C865 HydrophobicContact CB-CB 3.78Å; N831-C865 WeakPolarHBondContact CB-O 3.32Å; N831-C865 PolarHBondContact ND2-O 3.03Å; N831-C865 WeakPolarHBondContact O-CB 3.4Å; A832-C865 WeakPolarHBondContact CB-SG 3.06Å; C846-C865 WeakPolarHBondContact CA-SG 3.33Å; C846-C865 HydrophobicContact CB-CB 3.8Å; C846-C865 WeakPolarHBondContact CB-SG 3.45Å; C846-C865 WeakPolarHBondContact SG-CA 3.27Å; C846-C865 WeakPolarHBondContact SG-CB 3.43Å; C846-C865 CovalentContact SG-SG 2.03Å; C846-C865 PolarHBondContact SG-SG 2.88Å
866	L	54.5	Low	56.5	Low	83 Å²	83	62.7 Å²	62.7	44%	0.435	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	135.9	-178.1	-56.8	177.3	0	0	0	108.5	Y850 Q851 K853 V864 H868	Y850-L866 CarbonylContact C-O 3.57Å; Y850-L866 WeakPolarHBondContact CA-O 3.08Å; Q851-L866 PolarHBondContact N-O 2.83Å; Q851-L866 PolarHBondContact O-N 2.87Å; K853-L866 HydrophobicContact CB-CD1 4.28Å; K853-L866 HydrophobicContact CD-CD1 4.16Å; K853-L866 HydrophobicContact CG-CD1 4.24Å; V864-L866 HydrophobicContact CG1-CD1 4.32Å; V864-L866 HydrophobicContact CG1-CD2 4.05Å; V864-L866 HydrophobicContact CG1-CG 4Å; L866-H868 PolarHBondContact O-N 3.5Å
867	P	47.1	Very low	56.5	Low	70 Å²	70	62.3 Å²	62.3	46%	0.455	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.3	140.4	178.8	23.1	-32.5	0	0	0	111.1	G849 Y850 I869	G849-P867 CarbonylContact O-C 3.37Å; G849-P867 WeakPolarHBondContact O-CA 3.08Å; Y850-P867 VanDerWaalsContact CD1-CA 3.44Å; Y850-P867 HydrophobicContact CD1-CB 4.01Å; Y850-P867 HydrophobicContact CE1-CB 3.76Å; Y850-P867 HydrophobicContact CE1-CG 4.32Å; P867-I869 PolarHBondContact O-N 2.81Å
868	H	48.7	Very low	57	Low	78 Å²	78	59.6 Å²	59.6	36%	0.361	33%	0.327	S	S	.	.			trans	-75.1	98.3	171.6	-173.2	-72.4	0	0	0	107.7	G849 L866	G849-H868 WeakPolarHBondContact O-CB 3.4Å; G849-H868 PolarHBondContact O-N 3Å; L866-H868 PolarHBondContact O-N 3.5Å
869	I	49.6	Very low	57.6	Low	86 Å²	86	53.1 Å²	53.1	44%	0.441	29%	0.294	S	S	.	.			trans	-77	124.5	174.7	-56.4	172.6	0	0	0	106.8	P867 V871 N874 L877	P867-I869 PolarHBondContact O-N 2.81Å; I869-V871 PolarHBondContact O-N 3.34Å; I869-N874 HydrophobicContact CG2-CB 4.24Å; I869-L877 HydrophobicContact CB-CD1 3.93Å; I869-L877 HydrophobicContact CD1-CD1 4.33Å; I869-L877 HydrophobicContact CG2-CD1 3.74Å
870	P	53.9	Low	58.4	Low	46 Å²	46	50.6 Å²	50.6	30%	0.299	28%	0.276	S	S	.	.			trans	-55.3	124.6	168.5	-21.6	33.1	0	0	0	108.8	D873 E889	P870-D873 HydrophobicContact CB-CB 4.05Å; P870-D873 WeakPolarHBondContact CB-OD2 3.12Å; P870-D873 PolarHBondContact O-N 2.76Å; P870-E889 VanDerWaalsContact C-OE1 3.28Å; P870-E889 WeakPolarHBondContact CA-OE1 3.37Å
871	V	59.1	Low	58.5	Low	30 Å²	30	46.1 Å²	46.1	18%	0.182	26%	0.261	C	S	.	.	S	Bend	trans	-71.9	-36.5	-172.8	-177.2	0	0	0	0	109.9	I869 N874 L877 N878 E889 F894	I869-V871 PolarHBondContact O-N 3.34Å; V871-N874 PolarHBondContact O-N 2.76Å; V871-N874 VanDerWaalsContact O-O 3.1Å; V871-L877 HydrophobicContact CB-CB 4.5Å; V871-L877 VanDerWaalsContact CG1-C 3.42Å; V871-L877 HydrophobicContact CG1-CB 3.81Å; V871-L877 VanDerWaalsContact CG1-O 3.3Å; V871-L877 WeakPolarHBondContact CG1-O 3.05Å; V871-N878 HydrophobicContact CG1-CB 4.16Å; V871-N878 WeakPolarHBondContact O-CB 3Å; V871-N878 PolarHBondContact O-N 2.81Å; V871-N878 PolarHBondContact O-ND2 3.34Å; V871-E889 PolarHBondContact N-OE1 3.21Å; V871-F894 HydrophobicContact CB-CB 4.21Å; V871-F894 HydrophobicContact CB-CD1 4.32Å; V871-F894 HydrophobicContact CG1-CB 3.9Å; V871-F894 HydrophobicContact CG1-CD1 3.26Å; V871-F894 HydrophobicContact CG1-CE1 3.91Å; V871-F894 HydrophobicContact CG1-CG 3.72Å
872	C	58.6	Low	58.4	Low	26 Å²	26	50.9 Å²	50.9	18%	0.176	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-30.2	175.5	-73.9	0	0	0	0	114.3	N874 N878 C887 I888 E889	C872-N874 PolarHBondContact O-N 2.97Å; C872-N878 WeakPolarHBondContact CA-ND2 2.88Å; C872-N878 PolarHBondContact O-ND2 3.02Å; C872-C887 WeakPolarHBondContact CA-SG 3.5Å; C872-C887 HydrophobicContact CB-CB 3.63Å; C872-C887 WeakPolarHBondContact CB-SG 3.05Å; C872-C887 WeakPolarHBondContact SG-CB 3.45Å; C872-C887 CovalentContact SG-SG 2.04Å; C872-C887 PolarHBondContact SG-SG 2.85Å; C872-I888 PolarHBondContact SG-N 2.83Å; C872-E889 HydrophobicContact CB-CG 4.06Å; C872-E889 PolarHBondContact N-OE1 2.81Å
873	D	50.7	Low	57.7	Low	66 Å²	66	58.2 Å²	58.2	35%	0.353	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-6.5	176.8	-68.4	-23.2	0	0	0	113.3	N334 P870	N334-D873 PolarHBondContact ND2-O 2.73Å; P870-D873 HydrophobicContact CB-CB 4.05Å; P870-D873 WeakPolarHBondContact CB-OD2 3.12Å; P870-D873 PolarHBondContact O-N 2.76Å
874	N	49.5	Very low	57	Low	43 Å²	43	57.3 Å²	57.3	23%	0.23	31%	0.31	C	S	.	.			trans	-131.3	102.2	-178.5	-175.5	2.9	0	0	0	112.2	I869 V871 C872 S876 L877 N878	I869-N874 HydrophobicContact CG2-CB 4.24Å; V871-N874 PolarHBondContact O-N 2.76Å; V871-N874 VanDerWaalsContact O-O 3.1Å; C872-N874 PolarHBondContact O-N 2.97Å; N874-S876 VanDerWaalsContact CG-OG 3.31Å; N874-S876 PolarHBondContact ND2-OG 3.48Å; N874-S876 PolarHBondContact O-N 3.21Å; N874-S876 PolarHBondContact OD1-N 2.89Å; N874-S876 PolarHBondContact OD1-OG 2.89Å; N874-L877 HydrophobicContact CB-CB 4.43Å; N874-L877 HydrophobicContact CB-CD1 4.13Å; N874-L877 HydrophobicContact CB-CG 4.31Å; N874-L877 WeakPolarHBondContact ND2-CD1 3.34Å; N874-L877 WeakPolarHBondContact ND2-CG 3.32Å; N874-L877 PolarHBondContact O-N 3.22Å; N874-N878 VanDerWaalsContact C-ND2 3.29Å; N874-N878 PolarHBondContact O-N 3.49Å; N874-N878 PolarHBondContact O-ND2 3.1Å; N874-N878 VanDerWaalsContact O-ND2 3.15Å
875	P	50.9	Low	56.8	Low	55 Å²	55	55.9 Å²	55.9	36%	0.357	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.9	31.2	178.5	33.7	-36.3	0	0	0	113.8	N878 R882	P875-N878 CarbonylContact C-O 3.51Å; P875-N878 WeakPolarHBondContact CA-O 3.13Å; P875-R882 VanDerWaalsContact CG-NH2 3.28Å
876	S	47.1	Very low	57.1	Low	90 Å²	90	59.6 Å²	59.6	63%	0.629	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-121.2	1.3	159.6	62.7	0	0	0	0	112.2	N874	N874-S876 VanDerWaalsContact CG-OG 3.31Å; N874-S876 PolarHBondContact ND2-OG 3.48Å; N874-S876 PolarHBondContact O-N 3.21Å; N874-S876 PolarHBondContact OD1-N 2.89Å; N874-S876 PolarHBondContact OD1-OG 2.89Å
877	L	53.6	Low	57.9	Low	81 Å²	81	57.3 Å²	57.3	42%	0.424	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-119.1	-34	171.6	-59.8	176.1	0	0	0	110.5	I869 V871 N874 F894	I869-L877 HydrophobicContact CB-CD1 3.93Å; I869-L877 HydrophobicContact CD1-CD1 4.33Å; I869-L877 HydrophobicContact CG2-CD1 3.74Å; V871-L877 HydrophobicContact CB-CB 4.5Å; V871-L877 VanDerWaalsContact CG1-C 3.42Å; V871-L877 HydrophobicContact CG1-CB 3.81Å; V871-L877 VanDerWaalsContact CG1-O 3.3Å; V871-L877 WeakPolarHBondContact CG1-O 3.05Å; N874-L877 HydrophobicContact CB-CB 4.43Å; N874-L877 HydrophobicContact CB-CD1 4.13Å; N874-L877 HydrophobicContact CB-CG 4.31Å; N874-L877 WeakPolarHBondContact ND2-CD1 3.34Å; N874-L877 WeakPolarHBondContact ND2-CG 3.32Å; N874-L877 PolarHBondContact O-N 3.22Å; L877-F894 VanDerWaalsContact O-CE1 3.29Å; L877-F894 WeakPolarHBondContact O-CE1 3.5Å
878	N	60.9	Low	58.8	Low	13 Å²	13	58.3 Å²	58.3	7%	0.07	32%	0.316	C	S	.	.			trans	-97.2	163.7	156.4	82.2	85.8	0	0	0	111.7	V871 C872 N874 P875 C880 F894	V871-N878 HydrophobicContact CG1-CB 4.16Å; V871-N878 WeakPolarHBondContact O-CB 3Å; V871-N878 PolarHBondContact O-N 2.81Å; V871-N878 PolarHBondContact O-ND2 3.34Å; C872-N878 WeakPolarHBondContact CA-ND2 2.88Å; C872-N878 PolarHBondContact O-ND2 3.02Å; N874-N878 VanDerWaalsContact C-ND2 3.29Å; N874-N878 PolarHBondContact O-N 3.49Å; N874-N878 PolarHBondContact O-ND2 3.1Å; N874-N878 VanDerWaalsContact O-ND2 3.15Å; P875-N878 CarbonylContact C-O 3.51Å; P875-N878 WeakPolarHBondContact CA-O 3.13Å; N878-C880 PolarHBondContact OD1-N 3.07Å; N878-F894 HydrophobicContact CB-CD1 4.41Å; N878-F894 HydrophobicContact CB-CD2 3.53Å; N878-F894 HydrophobicContact CB-CE1 4.44Å; N878-F894 HydrophobicContact CB-CE2 3.6Å; N878-F894 HydrophobicContact CB-CG 3.95Å; N878-F894 HydrophobicContact CB-CZ 4.07Å
879	D	65	Low	58.9	Low	38 Å²	38	58.7 Å²	58.7	20%	0.203	32%	0.319	C	S	.	.			trans	-145.6	46.7	-178.4	56.1	0.7	0	0	0	110.6	F894 R914 L2671	D879-F894 VanDerWaalsContact OD1-CE2 3.25Å; D879-F894 WeakPolarHBondContact OD1-CE2 3.14Å; D879-F894 WeakPolarHBondContact OD1-CZ 3.22Å; D879-R914 IonicContact OD1-CZ 3.3Å; D879-R914 IonicContact OD1-NH1 3.06Å; D879-R914 PolarHBondContact OD1-NH1 3.35Å; D879-R914 IonicContact OD1-NH2 2.77Å; D879-R914 PolarHBondContact OD1-NH2 3.31Å; D879-R914 IonicContact OD2-CZ 3.34Å; D879-R914 IonicContact OD2-NH1 2.66Å; D879-R914 PolarHBondContact OD2-NH1 3.04Å; D879-R914 IonicContact OD2-NH2 3.86Å; D879-R914 PolarHBondContact OD2-NH2 2.86Å; D879-L2671 WeakPolarHBondContact OD2-CD2 3.11Å
880	C	72.6	Confident	58.9	Low	16 Å²	16	58.1 Å²	58.1	11%	0.108	32%	0.319	C	S	.	.			trans	-73.1	159.2	169.7	-50.7	0	0	0	0	111.3	N878 R882 A885 C887 C896 G913	N878-C880 PolarHBondContact OD1-N 3.07Å; C880-R882 PolarHBondContact O-N 2.99Å; C880-A885 HydrophobicContact CB-CB 4.32Å; C880-C887 WeakPolarHBondContact SG-CB 3.31Å; C880-C896 WeakPolarHBondContact CA-SG 3.17Å; C880-C896 HydrophobicContact CB-CB 3.61Å; C880-C896 WeakPolarHBondContact CB-SG 3.14Å; C880-C896 WeakPolarHBondContact SG-CB 3.46Å; C880-C896 CovalentContact SG-SG 2.02Å; C880-C896 PolarHBondContact SG-SG 2.74Å; C880-G913 CarbonylContact C-O 3.49Å; C880-G913 WeakPolarHBondContact CA-O 3.37Å; C880-G913 WeakPolarHBondContact CB-O 3.43Å
881	D	66.4	Low	58.4	Low	27 Å²	27	59.7 Å²	59.7	14%	0.144	34%	0.344	C	S	.	.			trans	-60.7	110.2	167.8	-170	-56.3	0	0	0	108.6	E883 N884 A885 G913 R914 C916	D881-E883 PolarHBondContact O-N 3.39Å; D881-E883 VanDerWaalsContact O-N 3.14Å; D881-E883 PolarHBondContact OD1-N 2.92Å; D881-N884 PolarHBondContact O-N 3.28Å; D881-N884 VanDerWaalsContact OD1-CB 3.31Å; D881-N884 WeakPolarHBondContact OD1-CB 3.3Å; D881-N884 PolarHBondContact OD1-N 3.22Å; D881-N884 PolarHBondContact OD1-ND2 2.81Å; D881-A885 HydrophobicContact CB-CB 3.82Å; D881-A885 WeakPolarHBondContact O-CB 3.31Å; D881-A885 PolarHBondContact O-N 2.79Å; D881-G913 PolarHBondContact N-O 3.24Å; D881-R914 PolarHBondContact N-O 2.04Å; D881-C916 HydrophobicContact CB-CB 4.05Å; D881-C916 PolarHBondContact OD2-N 3.38Å
882	R	62.3	Low	57.7	Low	123 Å²	123	67.5 Å²	67.5	46%	0.464	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-13.1	-159.6	-160	175	-178.7	170.8	3.1	114.2	P875 C880 P1482 T1484	P875-R882 VanDerWaalsContact CG-NH2 3.28Å; C880-R882 PolarHBondContact O-N 2.99Å; R882-P1482 PolarHBondContact NH2-O 3.44Å; R882-T1484 PolarHBondContact NH1-OG1 3.34Å
883	E	54.5	Low	57.2	Low	154 Å²	154	68.9 Å²	68.9	72%	0.72	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115.7	-27.8	175.7	-64.3	-173.6	156.1	0	0	112.3	D881	D881-E883 PolarHBondContact O-N 3.39Å; D881-E883 VanDerWaalsContact O-N 3.14Å; D881-E883 PolarHBondContact OD1-N 2.92Å
884	N	59	Low	57.8	Low	31 Å²	31	66.4 Å²	66.4	17%	0.166	37%	0.374	C	S	.	.	T	Hydrogen-bonded Turn	trans	-120	8.5	-165.3	-47.5	-70	0	0	0	113.7	D881 C898 I899 F902 C916	D881-N884 PolarHBondContact O-N 3.28Å; D881-N884 VanDerWaalsContact OD1-CB 3.31Å; D881-N884 WeakPolarHBondContact OD1-CB 3.3Å; D881-N884 PolarHBondContact OD1-N 3.22Å; D881-N884 PolarHBondContact OD1-ND2 2.81Å; N884-C898 CarbonylContact O-C 2.8Å; N884-C898 WeakPolarHBondContact O-CA 3.33Å; N884-I899 PolarHBondContact O-N 3.39Å; N884-F902 HydrophobicContact CB-CB 4.42Å; N884-F902 HydrophobicContact CB-CD1 3.68Å; N884-F902 HydrophobicContact CB-CD2 4.39Å; N884-F902 HydrophobicContact CB-CE1 4.01Å; N884-F902 HydrophobicContact CB-CG 3.93Å; N884-F902 VanDerWaalsContact CG-CE1 3.46Å; N884-F902 WeakPolarHBondContact OD1-CE1 3.14Å; N884-F902 WeakPolarHBondContact OD1-CZ 3.27Å; N884-C916 HydrophobicContact CB-CB 3.62Å; N884-C916 PolarHBondContact O-SG 2.74Å
885	A	65.1	Low	58.5	Low	18 Å²	18	65.6 Å²	65.6	15%	0.149	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	155.5	173.9	0	0	0	0	0	114.3	C880 D881 S897 G913	C880-A885 HydrophobicContact CB-CB 4.32Å; D881-A885 HydrophobicContact CB-CB 3.82Å; D881-A885 WeakPolarHBondContact O-CB 3.31Å; D881-A885 PolarHBondContact O-N 2.79Å; A885-S897 CarbonylContact C-O 3.48Å; A885-S897 WeakPolarHBondContact CA-O 3.03Å; A885-S897 VanDerWaalsContact CB-O 3.3Å; A885-S897 WeakPolarHBondContact CB-O 3.22Å; A885-G913 WeakPolarHBondContact CB-O 3.42Å
886	V	69.3	Low	59.4	Low	77 Å²	77	63 Å²	63	47%	0.467	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	131.9	173.3	-174.7	0	0	0	0	109.4	I888 C896 S897 I899	V886-I888 HydrophobicContact CG1-CG1 4.39Å; V886-C896 CarbonylContact O-C 3.51Å; V886-C896 VanDerWaalsContact O-CA 3.25Å; V886-C896 WeakPolarHBondContact O-CA 3.35Å; V886-S897 PolarHBondContact N-O 3.42Å; V886-S897 PolarHBondContact O-N 3.2Å; V886-I899 HydrophobicContact CG2-CD1 4.46Å; V886-I899 HydrophobicContact CG2-CG1 3.84Å
887	C	73.1	Confident	60.3	Low	35 Å²	35	60.8 Å²	60.8	24%	0.236	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	138.5	171.5	-167.1	0	0	0	0	111.2	C872 C880 S895	C872-C887 WeakPolarHBondContact CA-SG 3.5Å; C872-C887 HydrophobicContact CB-CB 3.63Å; C872-C887 WeakPolarHBondContact CB-SG 3.05Å; C872-C887 WeakPolarHBondContact SG-CB 3.45Å; C872-C887 CovalentContact SG-SG 2.04Å; C872-C887 PolarHBondContact SG-SG 2.85Å; C880-C887 WeakPolarHBondContact SG-CB 3.31Å; C887-S895 CarbonylContact C-O 3.36Å; C887-S895 WeakPolarHBondContact CA-O 3.46Å
888	I	64.2	Low	60.9	Low	91 Å²	91	58.3 Å²	58.3	47%	0.467	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	126.3	179	-51.9	178.2	0	0	0	109.9	C872 V886 S895	C872-I888 PolarHBondContact SG-N 2.83Å; V886-I888 HydrophobicContact CG1-CG1 4.39Å; I888-S895 PolarHBondContact N-O 2.87Å; I888-S895 PolarHBondContact O-N 3.42Å
889	E	52	Low	60.9	Low	87 Å²	87	61.1 Å²	61.1	41%	0.407	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	140.3	176.7	-60.7	-120.3	112.8	0	0	111.8	P870 V871 C872	P870-E889 VanDerWaalsContact C-OE1 3.28Å; P870-E889 WeakPolarHBondContact CA-OE1 3.37Å; V871-E889 PolarHBondContact N-OE1 3.21Å; C872-E889 HydrophobicContact CB-CG 4.06Å; C872-E889 PolarHBondContact N-OE1 2.81Å
890	T	49.6	Very low	60.3	Low	73 Å²	73	64.2 Å²	64.2	45%	0.448	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	157.8	170.3	62.6	0	0	0	0	109.4	E892 S893	T890-E892 PolarHBondContact O-N 2.96Å; T890-S893 CarbonylContact C-O 3.11Å; T890-S893 PolarHBondContact N-O 3.34Å; T890-S893 PolarHBondContact O-N 2.67Å; T890-S893 VanDerWaalsContact OG1-C 3.28Å; T890-S893 PolarHBondContact OG1-O 3.16Å; T890-S893 VanDerWaalsContact OG1-O 3.08Å; T890-S893 PolarHBondContact OG1-OG 2.86Å
891	G	43.6	Very low	59.1	Low	80 Å²	80	65.3 Å²	65.3	83%	0.825	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.7	-18.1	-160.2	0	0	0	0	0	118.6
892	E	44.6	Very low	58.5	Low	194 Å²	194	66.8 Å²	66.8	91%	0.907	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-137.5	11.9	169.3	-61.4	-170.4	158.7	0	0	113.5	T890	T890-E892 PolarHBondContact O-N 2.96Å
893	S	47	Very low	58.3	Low	54 Å²	54	62.7 Å²	62.7	38%	0.378	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.9	-162.9	-178.5	78.1	0	0	0	0	113.9	T890	T890-S893 CarbonylContact C-O 3.11Å; T890-S893 PolarHBondContact N-O 3.34Å; T890-S893 PolarHBondContact O-N 2.67Å; T890-S893 VanDerWaalsContact OG1-C 3.28Å; T890-S893 PolarHBondContact OG1-O 3.16Å; T890-S893 VanDerWaalsContact OG1-O 3.08Å; T890-S893 PolarHBondContact OG1-OG 2.86Å
894	F	64.2	Low	58.3	Low	14 Å²	14	57.6 Å²	57.6	6%	0.061	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	153.2	176.3	69.5	-75.3	0	0	0	111.8	V871 L877 N878 D879 R911	V871-F894 HydrophobicContact CB-CB 4.21Å; V871-F894 HydrophobicContact CB-CD1 4.32Å; V871-F894 HydrophobicContact CG1-CB 3.9Å; V871-F894 HydrophobicContact CG1-CD1 3.26Å; V871-F894 HydrophobicContact CG1-CE1 3.91Å; V871-F894 HydrophobicContact CG1-CG 3.72Å; L877-F894 VanDerWaalsContact O-CE1 3.29Å; L877-F894 WeakPolarHBondContact O-CE1 3.5Å; N878-F894 HydrophobicContact CB-CD1 4.41Å; N878-F894 HydrophobicContact CB-CD2 3.53Å; N878-F894 HydrophobicContact CB-CE1 4.44Å; N878-F894 HydrophobicContact CB-CE2 3.6Å; N878-F894 HydrophobicContact CB-CG 3.95Å; N878-F894 HydrophobicContact CB-CZ 4.07Å; D879-F894 VanDerWaalsContact OD1-CE2 3.25Å; D879-F894 WeakPolarHBondContact OD1-CE2 3.14Å; D879-F894 WeakPolarHBondContact OD1-CZ 3.22Å; F894-R911 WeakPolarHBondContact O-CD 2.99Å; F894-R911 PolarHBondContact O-NH2 2.98Å
895	S	63.8	Low	58.6	Low	27 Å²	27	60.1 Å²	60.1	19%	0.189	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	155.2	165	-164.2	0	0	0	0	109.6	C887 I888	C887-S895 CarbonylContact C-O 3.36Å; C887-S895 WeakPolarHBondContact CA-O 3.46Å; I888-S895 PolarHBondContact N-O 2.87Å; I888-S895 PolarHBondContact O-N 3.42Å
896	C	69.9	Low	58.2	Low	0 Å²	0	59.6 Å²	59.6	0%	0	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	170.4	166.4	-48.4	0	0	0	0	108.4	C880 V886 R911 P912 G913	C880-C896 WeakPolarHBondContact CA-SG 3.17Å; C880-C896 HydrophobicContact CB-CB 3.61Å; C880-C896 WeakPolarHBondContact CB-SG 3.14Å; C880-C896 WeakPolarHBondContact SG-CB 3.46Å; C880-C896 CovalentContact SG-SG 2.02Å; C880-C896 PolarHBondContact SG-SG 2.74Å; V886-C896 CarbonylContact O-C 3.51Å; V886-C896 VanDerWaalsContact O-CA 3.25Å; V886-C896 WeakPolarHBondContact O-CA 3.35Å; C896-R911 HydrophobicContact CB-CG 4.16Å; C896-P912 CarbonylContact C-O 3.2Å; C896-P912 WeakPolarHBondContact CA-O 3.2Å; C896-P912 WeakPolarHBondContact CB-O 3.33Å; C896-G913 WeakPolarHBondContact CB-O 3.25Å
897	S	64.7	Low	57.2	Low	44 Å²	44	60.4 Å²	60.4	31%	0.308	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.5	131.7	170.1	-61.5	0	0	0	0	110.4	A885 V886 P912	A885-S897 CarbonylContact C-O 3.48Å; A885-S897 WeakPolarHBondContact CA-O 3.03Å; A885-S897 VanDerWaalsContact CB-O 3.3Å; A885-S897 WeakPolarHBondContact CB-O 3.22Å; V886-S897 PolarHBondContact N-O 3.42Å; V886-S897 PolarHBondContact O-N 3.2Å; S897-P912 PolarHBondContact N-O 3.24Å
898	C	66.7	Low	56	Low	28 Å²	28	58.8 Å²	58.8	19%	0.189	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.9	147.8	175.4	-65.6	0	0	0	0	113.1	N884 F902 D904 C916	N884-C898 CarbonylContact O-C 2.8Å; N884-C898 WeakPolarHBondContact O-CA 3.33Å; C898-F902 WeakPolarHBondContact CB-O 3.05Å; C898-D904 VanDerWaalsContact SG-CA 3.57Å; C898-D904 PolarHBondContact SG-OD2 3.44Å; C898-C916 WeakPolarHBondContact CA-SG 3.36Å; C898-C916 HydrophobicContact CB-CB 3.97Å; C898-C916 WeakPolarHBondContact CB-SG 3.49Å; C898-C916 VanDerWaalsContact SG-CA 3.57Å; C898-C916 WeakPolarHBondContact SG-CB 3.49Å; C898-C916 CovalentContact SG-SG 2.03Å; C898-C916 PolarHBondContact SG-SG 2.7Å
899	I	60.6	Low	55.2	Low	73 Å²	73	56.2 Å²	56.2	37%	0.374	35%	0.351	S	S	.	.	P	Polyproline II helix	trans	-77.9	141.6	174.9	-61.4	168.3	0	0	0	109.1	N884 V886 G901 F902	N884-I899 PolarHBondContact O-N 3.39Å; V886-I899 HydrophobicContact CG2-CD1 4.46Å; V886-I899 HydrophobicContact CG2-CG1 3.84Å; I899-G901 PolarHBondContact O-N 2.01Å; I899-F902 PolarHBondContact O-N 2.94Å
900	A	52.4	Low	55.1	Low	102 Å²	102	52.4 Å²	52.4	84%	0.843	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.1	128.8	-179.8	0	0	0	0	0	112.2
901	G	47.9	Very low	55.4	Low	40 Å²	40	49.2 Å²	49.2	41%	0.412	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	99.1	2.8	-169	0	0	0	0	0	114.5	I899 L919	I899-G901 PolarHBondContact O-N 2.01Å; G901-L919 WeakPolarHBondContact O-CB 3.04Å; G901-L919 PolarHBondContact O-N 2.72Å
902	F	53.1	Low	55.9	Low	57 Å²	57	47.2 Å²	47.2	25%	0.25	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	127.8	170.7	-61.9	-106.9	0	0	0	110	N884 C898 I899 C916 K917 K918	N884-F902 HydrophobicContact CB-CB 4.42Å; N884-F902 HydrophobicContact CB-CD1 3.68Å; N884-F902 HydrophobicContact CB-CD2 4.39Å; N884-F902 HydrophobicContact CB-CE1 4.01Å; N884-F902 HydrophobicContact CB-CG 3.93Å; N884-F902 VanDerWaalsContact CG-CE1 3.46Å; N884-F902 WeakPolarHBondContact OD1-CE1 3.14Å; N884-F902 WeakPolarHBondContact OD1-CZ 3.27Å; C898-F902 WeakPolarHBondContact CB-O 3.05Å; I899-F902 PolarHBondContact O-N 2.94Å; F902-C916 HydrophobicContact CB-CB 3.89Å; F902-K917 CarbonylContact C-O 3.29Å; F902-K917 VanDerWaalsContact CA-O 3.3Å; F902-K917 WeakPolarHBondContact CA-O 3.49Å; F902-K918 HydrophobicContact CD1-CB 3.73Å; F902-K918 HydrophobicContact CD1-CG 4.28Å; F902-K918 HydrophobicContact CE1-CB 3.51Å; F902-K918 HydrophobicContact CE1-CD 4.29Å; F902-K918 HydrophobicContact CE1-CG 3.79Å; F902-K918 HydrophobicContact CZ-CB 4.31Å; F902-K918 HydrophobicContact CZ-CD 4.39Å; F902-K918 HydrophobicContact CZ-CG 4.08Å
903	L	58.2	Low	56.9	Low	38 Å²	38	38 Å²	38	20%	0.199	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	138.9	174.9	177.9	71.2	0	0	0	110.6	I905 C916 K917 D942	L903-I905 HydrophobicContact CD2-CG2 3.85Å; L903-I905 HydrophobicContact CG-CG2 4.24Å; L903-I905 PolarHBondContact O-N 3.07Å; L903-I905 VanDerWaalsContact O-N 3.15Å; L903-C916 CarbonylContact O-C 3.07Å; L903-C916 VanDerWaalsContact O-CA 3.29Å; L903-C916 WeakPolarHBondContact O-CA 3.47Å; L903-K917 PolarHBondContact N-O 3.27Å; L903-K917 PolarHBondContact O-N 3.04Å; L903-D942 WeakPolarHBondContact CD1-OD1 3.38Å; L903-D942 HydrophobicContact CD2-CB 4.05Å
904	D	55.9	Low	58	Low	46 Å²	46	37 Å²	37	25%	0.246	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72	100.7	170.2	-129.9	-57.3	0	0	0	112.3	C898 S906 P912 G913	C898-D904 VanDerWaalsContact SG-CA 3.57Å; C898-D904 PolarHBondContact SG-OD2 3.44Å; D904-S906 WeakPolarHBondContact OD1-CB 3.38Å; D904-S906 PolarHBondContact OD1-OG 2.81Å; D904-P912 VanDerWaalsContact CG-CA 3.47Å; D904-P912 WeakPolarHBondContact OD1-CA 3.05Å; D904-P912 VanDerWaalsContact OD2-C 3.26Å; D904-P912 WeakPolarHBondContact OD2-CA 3.41Å; D904-P912 WeakPolarHBondContact OD2-CB 3.35Å; D904-G913 PolarHBondContact OD1-N 3.49Å; D904-G913 PolarHBondContact OD2-N 2.76Å
905	I	64.2	Low	57.9	Low	85 Å²	85	40.6 Å²	40.6	44%	0.436	25%	0.25	S	C	.	.			trans	-101.6	19.3	170.7	62.7	157.1	0	0	0	111.5	L903 P907 L915 K917	L903-I905 HydrophobicContact CD2-CG2 3.85Å; L903-I905 HydrophobicContact CG-CG2 4.24Å; L903-I905 PolarHBondContact O-N 3.07Å; L903-I905 VanDerWaalsContact O-N 3.15Å; I905-P907 WeakPolarHBondContact O-CD 3.21Å; I905-L915 CarbonylContact C-O 3.03Å; I905-L915 HydrophobicContact CD1-CB 4.38Å; I905-L915 HydrophobicContact CG1-CB 3.9Å; I905-L915 VanDerWaalsContact CG1-O 3.28Å; I905-L915 WeakPolarHBondContact CG1-O 3.22Å; I905-L915 PolarHBondContact N-O 3.06Å; I905-K917 HydrophobicContact CB-CB 4.48Å; I905-K917 HydrophobicContact CD1-CB 3.9Å; I905-K917 HydrophobicContact CG1-CB 3.93Å; I905-K917 HydrophobicContact CG2-CB 3.73Å; I905-K917 HydrophobicContact CG2-CD 4.27Å
906	S	57.2	Low	57.9	Low	6 Å²	6	39.8 Å²	39.8	4%	0.042	24%	0.244	C	C	.	.			trans	-58.1	119.6	171.9	-55.4	0	0	0	0	109.1	D904 D908 P909 G913 R914 L915	D904-S906 WeakPolarHBondContact OD1-CB 3.38Å; D904-S906 PolarHBondContact OD1-OG 2.81Å; S906-D908 PolarHBondContact O-N 2.7Å; S906-P909 WeakPolarHBondContact O-CD 3.48Å; S906-G913 PolarHBondContact OG-N 2.84Å; S906-R914 WeakPolarHBondContact OG-CB 3.45Å; S906-R914 PolarHBondContact OG-N 3.05Å; S906-L915 PolarHBondContact N-O 3.29Å; S906-L915 PolarHBondContact OG-N 3.2Å; S906-L915 VanDerWaalsContact OG-N 3.08Å
907	P	47.7	Very low	57.3	Low	94 Å²	94	43.7 Å²	43.7	61%	0.61	26%	0.261	S	S	*	.	S	Bend	trans	-68.7	-1.8	-175.8	28.7	-36.6	0	0	0	113.6	I905	I905-P907 WeakPolarHBondContact O-CD 3.21Å
908	D	47.7	Very low	56.9	Low	2 Å²	2	45 Å²	45	1%	0.011	26%	0.261	C	S	.	.	S	Bend	trans	-136.7	83.1	170.2	176.5	26.9	0	0	0	109.3	S906 E910 R911 N1234 V1242 A2670	S906-D908 PolarHBondContact O-N 2.7Å; D908-E910 PolarHBondContact O-N 2.02Å; D908-E910 WeakPolarHBondContact OD1-CG 3.11Å; D908-E910 PolarHBondContact OD1-N 3.12Å; D908-R911 CarbonylContact O-C 3.39Å; D908-R911 PolarHBondContact O-N 3.42Å; D908-N1234 WeakPolarHBondContact OD2-CB 3.42Å; D908-V1242 HydrophobicContact CB-CG2 4.23Å; D908-V1242 VanDerWaalsContact CG-CG2 3.46Å; D908-V1242 VanDerWaalsContact OD2-CG2 3.3Å; D908-V1242 WeakPolarHBondContact OD2-CG2 3.29Å; D908-A2670 HydrophobicContact CB-CB 3.9Å; D908-A2670 WeakPolarHBondContact OD2-CB 3.31Å
909	P	48.7	Very low	56	Low	36 Å²	36	46.7 Å²	46.7	23%	0.234	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80	27.2	-177.2	33.3	-31.7	0	0	0	111.7	S906 N1206 R1241	S906-P909 WeakPolarHBondContact O-CD 3.48Å; P909-N1206 VanDerWaalsContact CD-CG 3.48Å; P909-N1206 HydrophobicContact CG-CB 4.13Å; P909-N1206 VanDerWaalsContact CG-CG 3.42Å; P909-N1206 WeakPolarHBondContact CG-ND2 3.29Å; P909-R1241 PolarHBondContact O-NH1 3.49Å
910	E	49.7	Very low	55.5	Low	7 Å²	7	44.7 Å²	44.7	3%	0.033	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-34.7	151.4	-51.3	-157	113	0	0	107.9	D908 P912 S1232 L1235 P1236 A1237 Q1238 R1241	D908-E910 PolarHBondContact O-N 2.02Å; D908-E910 WeakPolarHBondContact OD1-CG 3.11Å; D908-E910 PolarHBondContact OD1-N 3.12Å; E910-P912 WeakPolarHBondContact O-CD 3.36Å; E910-S1232 PolarHBondContact OE2-OG 3.15Å; E910-L1235 HydrophobicContact CB-CB 4.06Å; E910-L1235 HydrophobicContact CB-CD1 3.83Å; E910-L1235 WeakPolarHBondContact O-CD1 3.39Å; E910-L1235 VanDerWaalsContact O-CD2 3.3Å; E910-L1235 WeakPolarHBondContact O-CD2 3.2Å; E910-P1236 VanDerWaalsContact CD-CA 3.48Å; E910-P1236 WeakPolarHBondContact OE1-CA 3.38Å; E910-A1237 PolarHBondContact OE1-N 3.15Å; E910-Q1238 WeakPolarHBondContact OE1-CA 3.49Å; E910-Q1238 PolarHBondContact OE1-N 2.82Å; E910-Q1238 VanDerWaalsContact OE1-O 3.13Å; E910-R1241 HydrophobicContact CG-CB 3.78Å; E910-R1241 VanDerWaalsContact CG-CD 3.42Å; E910-R1241 HydrophobicContact CG-CG 3.5Å
911	R	55.1	Low	55.6	Low	6 Å²	6	42.7 Å²	42.7	2%	0.023	23%	0.234	C	C	.	.	S	Bend	trans	-106.3	82.4	167.5	-147.7	120.6	65.7	-167.9	172.4	107.1	F894 C896 D908 R914 P1233 N1234 L1235	F894-R911 WeakPolarHBondContact O-CD 2.99Å; F894-R911 PolarHBondContact O-NH2 2.98Å; C896-R911 HydrophobicContact CB-CG 4.16Å; D908-R911 CarbonylContact O-C 3.39Å; D908-R911 PolarHBondContact O-N 3.42Å; R911-R914 HydrophobicContact CB-CG 4.13Å; R911-R914 HydrophobicContact CG-CG 4.27Å; R911-P1233 PolarHBondContact NH1-O 2.96Å; R911-N1234 WeakPolarHBondContact CB-OD1 3.3Å; R911-N1234 PolarHBondContact NE-OD1 3.33Å; R911-N1234 VanDerWaalsContact NH1-CG 3.28Å; R911-N1234 PolarHBondContact NH1-ND2 2.82Å; R911-N1234 PolarHBondContact NH1-OD1 2.92Å; R911-L1235 HydrophobicContact CB-CD1 3.35Å; R911-L1235 HydrophobicContact CG-CD1 3.87Å; R911-L1235 HydrophobicContact CG-CD2 4.46Å; R911-L1235 VanDerWaalsContact N-CD1 3.34Å
912	P	54.9	Low	56.3	Low	39 Å²	39	42.3 Å²	42.3	25%	0.253	22%	0.222	S	C	.	.			trans	-51.9	154.8	161.9	24	-31.8	0	0	0	109	C896 S897 D904 E910	C896-P912 CarbonylContact C-O 3.2Å; C896-P912 WeakPolarHBondContact CA-O 3.2Å; C896-P912 WeakPolarHBondContact CB-O 3.33Å; S897-P912 PolarHBondContact N-O 3.24Å; D904-P912 VanDerWaalsContact CG-CA 3.47Å; D904-P912 WeakPolarHBondContact OD1-CA 3.05Å; D904-P912 VanDerWaalsContact OD2-C 3.26Å; D904-P912 WeakPolarHBondContact OD2-CA 3.41Å; D904-P912 WeakPolarHBondContact OD2-CB 3.35Å; E910-P912 WeakPolarHBondContact O-CD 3.36Å
913	G	64.8	Low	57.1	Low	0 Å²	0	40.8 Å²	40.8	0%	0	22%	0.218	C	C	.	.	S	Bend	trans	82.7	26.7	173.3	0	0	0	0	0	116.3	C880 D881 A885 C896 D904 S906	C880-G913 CarbonylContact C-O 3.49Å; C880-G913 WeakPolarHBondContact CA-O 3.37Å; C880-G913 WeakPolarHBondContact CB-O 3.43Å; D881-G913 PolarHBondContact N-O 3.24Å; A885-G913 WeakPolarHBondContact CB-O 3.42Å; C896-G913 WeakPolarHBondContact CB-O 3.25Å; D904-G913 PolarHBondContact OD1-N 3.49Å; D904-G913 PolarHBondContact OD2-N 2.76Å; S906-G913 PolarHBondContact OG-N 2.84Å
914	R	70.8	Confident	57.3	Low	33 Å²	33	44 Å²	44	13%	0.125	23%	0.23	C	C	.	.	S	Bend	trans	-97.4	-37.7	171.1	-63.4	170.9	144.1	-80.1	-16.4	112.8	D879 D881 S906 R911 N1234	D879-R914 IonicContact OD1-CZ 3.3Å; D879-R914 IonicContact OD1-NH1 3.06Å; D879-R914 PolarHBondContact OD1-NH1 3.35Å; D879-R914 IonicContact OD1-NH2 2.77Å; D879-R914 PolarHBondContact OD1-NH2 3.31Å; D879-R914 IonicContact OD2-CZ 3.34Å; D879-R914 IonicContact OD2-NH1 2.66Å; D879-R914 PolarHBondContact OD2-NH1 3.04Å; D879-R914 IonicContact OD2-NH2 3.86Å; D879-R914 PolarHBondContact OD2-NH2 2.86Å; D881-R914 PolarHBondContact N-O 2.04Å; S906-R914 WeakPolarHBondContact OG-CB 3.45Å; S906-R914 PolarHBondContact OG-N 3.05Å; R911-R914 HydrophobicContact CB-CG 4.13Å; R911-R914 HydrophobicContact CG-CG 4.27Å; R914-N1234 VanDerWaalsContact CZ-OD1 3.23Å; R914-N1234 PolarHBondContact NE-OD1 2.02Å; R914-N1234 PolarHBondContact NH2-ND2 3.49Å; R914-N1234 PolarHBondContact NH2-OD1 3.37Å
915	L	62.5	Low	57.3	Low	89 Å²	89	44.2 Å²	44.2	47%	0.466	23%	0.23	S	C	.	.	S	Bend	trans	-137.6	116.3	173.9	-75.3	160.5	0	0	0	107.8	I905 S906	I905-L915 CarbonylContact C-O 3.03Å; I905-L915 HydrophobicContact CD1-CB 4.38Å; I905-L915 HydrophobicContact CG1-CB 3.9Å; I905-L915 VanDerWaalsContact CG1-O 3.28Å; I905-L915 WeakPolarHBondContact CG1-O 3.22Å; I905-L915 PolarHBondContact N-O 3.06Å; S906-L915 PolarHBondContact N-O 3.29Å; S906-L915 PolarHBondContact OG-N 3.2Å; S906-L915 VanDerWaalsContact OG-N 3.08Å
916	C	64.1	Low	56.9	Low	10 Å²	10	42.6 Å²	42.6	7%	0.068	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	107	-172.8	-63.2	0	0	0	0	110.5	D881 N884 C898 F902 L903	D881-C916 HydrophobicContact CB-CB 4.05Å; D881-C916 PolarHBondContact OD2-N 3.38Å; N884-C916 HydrophobicContact CB-CB 3.62Å; N884-C916 PolarHBondContact O-SG 2.74Å; C898-C916 WeakPolarHBondContact CA-SG 3.36Å; C898-C916 HydrophobicContact CB-CB 3.97Å; C898-C916 WeakPolarHBondContact CB-SG 3.49Å; C898-C916 VanDerWaalsContact SG-CA 3.57Å; C898-C916 WeakPolarHBondContact SG-CB 3.49Å; C898-C916 CovalentContact SG-SG 2.03Å; C898-C916 PolarHBondContact SG-SG 2.7Å; F902-C916 HydrophobicContact CB-CB 3.89Å; L903-C916 CarbonylContact O-C 3.07Å; L903-C916 VanDerWaalsContact O-CA 3.29Å; L903-C916 WeakPolarHBondContact O-CA 3.47Å
917	K	56.5	Low	56.9	Low	82 Å²	82	46.5 Å²	46.5	36%	0.357	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	121.8	179.2	-179.7	-164	167.1	-155.9	0	109.2	F902 L903 I905 L919 D942	F902-K917 CarbonylContact C-O 3.29Å; F902-K917 VanDerWaalsContact CA-O 3.3Å; F902-K917 WeakPolarHBondContact CA-O 3.49Å; L903-K917 PolarHBondContact N-O 3.27Å; L903-K917 PolarHBondContact O-N 3.04Å; I905-K917 HydrophobicContact CB-CB 4.48Å; I905-K917 HydrophobicContact CD1-CB 3.9Å; I905-K917 HydrophobicContact CG1-CB 3.93Å; I905-K917 HydrophobicContact CG2-CB 3.73Å; I905-K917 HydrophobicContact CG2-CD 4.27Å; K917-L919 PolarHBondContact O-N 2.91Å; K917-D942 PolarHBondContact NZ-O 2.77Å; K917-D942 VanDerWaalsContact NZ-O 3.16Å
918	K	55.7	Low	57.7	Low	72 Å²	72	45 Å²	45	31%	0.313	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-52.5	132.1	172.9	-171.2	173.9	173.9	179.4	0	110.6	F902 N1434 P1908 V1909	F902-K918 HydrophobicContact CD1-CB 3.73Å; F902-K918 HydrophobicContact CD1-CG 4.28Å; F902-K918 HydrophobicContact CE1-CB 3.51Å; F902-K918 HydrophobicContact CE1-CD 4.29Å; F902-K918 HydrophobicContact CE1-CG 3.79Å; F902-K918 HydrophobicContact CZ-CB 4.31Å; F902-K918 HydrophobicContact CZ-CD 4.39Å; F902-K918 HydrophobicContact CZ-CG 4.08Å; K918-N1434 PolarHBondContact NZ-OD1 3.32Å; K918-P1908 PolarHBondContact NZ-O 2.93Å; K918-V1909 HydrophobicContact CD-CG2 4.09Å
919	L	48.6	Very low	58.8	Low	64 Å²	64	48.5 Å²	48.5	34%	0.335	26%	0.262	S	S	.	.	P	Polyproline II helix	trans	-68.8	131.2	171.1	-116.2	159	0	0	0	109.3	G901 K917 P941	G901-L919 WeakPolarHBondContact O-CB 3.04Å; G901-L919 PolarHBondContact O-N 2.72Å; K917-L919 PolarHBondContact O-N 2.91Å; L919-P941 HydrophobicContact CD1-CB 4.39Å; L919-P941 WeakPolarHBondContact CD1-O 3.31Å; L919-P941 WeakPolarHBondContact CD2-O 3.33Å; L919-P941 VanDerWaalsContact CG-O 3.31Å; L919-P941 WeakPolarHBondContact CG-O 3.36Å
920	V	49.3	Very low	60.2	Low	31 Å²	31	47.2 Å²	47.2	19%	0.188	25%	0.253	C	S	.	.			trans	-130.2	118.8	-175.1	175.5	0	0	0	0	107.7	E922 E925 V1909	V920-E922 VanDerWaalsContact C-N 3.32Å; V920-E922 HydrophobicContact CB-CG 4.34Å; V920-E922 HydrophobicContact CG1-CG 3.98Å; V920-E922 WeakPolarHBondContact O-CG 3.27Å; V920-E922 PolarHBondContact O-N 2.03Å; V920-E925 HydrophobicContact CG1-CG 3.97Å; V920-V1909 HydrophobicContact CB-CG1 4.12Å; V920-V1909 HydrophobicContact CG1-CB 4.34Å; V920-V1909 HydrophobicContact CG1-CG1 3.31Å; V920-V1909 HydrophobicContact CG2-CB 4.08Å; V920-V1909 HydrophobicContact CG2-CG1 3.67Å; V920-V1909 HydrophobicContact CG2-CG2 4.04Å
921	D	55.6	Low	61.1	Low	60 Å²	60	47.2 Å²	47.2	32%	0.321	26%	0.255	S	S	.	.			trans	-72.1	90.9	174.3	-176.1	-20.2	0	0	0	109.7	C923 F924 E925 D939	D921-C923 VanDerWaalsContact C-N 3.27Å; D921-C923 PolarHBondContact O-N 3.3Å; D921-C923 WeakPolarHBondContact OD1-CB 3.43Å; D921-C923 PolarHBondContact OD1-N 2.82Å; D921-F924 HydrophobicContact CB-CB 4Å; D921-F924 PolarHBondContact O-N 3.07Å; D921-F924 WeakPolarHBondContact OD1-CB 3.21Å; D921-F924 PolarHBondContact OD1-N 2.76Å; D921-F924 WeakPolarHBondContact OD2-CB 3.39Å; D921-E925 WeakPolarHBondContact O-CB 3.39Å; D921-E925 VanDerWaalsContact O-CG 3.31Å; D921-E925 WeakPolarHBondContact O-CG 3.37Å; D921-E925 PolarHBondContact O-N 2.83Å; D921-D939 WeakPolarHBondContact CA-OD1 3.34Å; D921-D939 WeakPolarHBondContact CA-OD2 3.12Å
922	E	62.7	Low	61.6	Low	31 Å²	31	53.1 Å²	53.1	15%	0.145	29%	0.293	C	S	.	.	H	α-helix	trans	-75.6	-22.4	-173.2	-73.5	150.8	150.5	0	0	111.2	V920 G926 T927 H928 D939 S943 Y944	V920-E922 VanDerWaalsContact C-N 3.32Å; V920-E922 HydrophobicContact CB-CG 4.34Å; V920-E922 HydrophobicContact CG1-CG 3.98Å; V920-E922 WeakPolarHBondContact O-CG 3.27Å; V920-E922 PolarHBondContact O-N 2.03Å; E922-G926 PolarHBondContact O-N 2.77Å; E922-T927 PolarHBondContact O-N 2.74Å; E922-T927 VanDerWaalsContact O-N 3.14Å; E922-H928 PolarHBondContact O-CD2 2.96Å; E922-H928 PolarHBondContact O-N 2.7Å; E922-D939 PolarHBondContact N-OD1 2.93Å; E922-S943 WeakPolarHBondContact OE2-CA 3.23Å; E922-S943 WeakPolarHBondContact OE2-CB 3.13Å; E922-S943 PolarHBondContact OE2-OG 2.76Å; E922-Y944 HydrophobicContact CB-CD1 3.32Å; E922-Y944 HydrophobicContact CB-CE1 4.07Å; E922-Y944 HydrophobicContact CB-CG 4.03Å; E922-Y944 HydrophobicContact CG-CD1 4.03Å; E922-Y944 VanDerWaalsContact OE2-CD1 3.31Å; E922-Y944 WeakPolarHBondContact OE2-CD1 3.39Å; E922-Y944 PolarHBondContact OE2-N 3.25Å
923	C	68.8	Low	61.7	Low	26 Å²	26	54.1 Å²	54.1	18%	0.176	30%	0.299	C	S	.	.	H	α-helix	trans	-66.2	-39	168.1	-64.5	0	0	0	0	112	D921 C937 E938 D939	D921-C923 VanDerWaalsContact C-N 3.27Å; D921-C923 PolarHBondContact O-N 3.3Å; D921-C923 WeakPolarHBondContact OD1-CB 3.43Å; D921-C923 PolarHBondContact OD1-N 2.82Å; C923-C937 WeakPolarHBondContact CA-SG 3.3Å; C923-C937 HydrophobicContact CB-CB 3.64Å; C923-C937 WeakPolarHBondContact CB-SG 3.5Å; C923-C937 WeakPolarHBondContact SG-CB 3.29Å; C923-C937 CovalentContact SG-SG 2.03Å; C923-C937 PolarHBondContact SG-SG 2.98Å; C923-E938 VanDerWaalsContact SG-C 3.56Å; C923-E938 PolarHBondContact SG-N 3.22Å; C923-E938 VanDerWaalsContact SG-N 3.4Å; C923-D939 HydrophobicContact CB-CB 4.46Å
924	F	63.3	Low	61.5	Low	105 Å²	105	54.8 Å²	54.8	46%	0.461	31%	0.305	S	S	.	.	H	α-helix	trans	-95.5	-21.7	-174.9	-174.5	-120.9	0	0	0	113.8	D921 G926 R1907	D921-F924 HydrophobicContact CB-CB 4Å; D921-F924 PolarHBondContact O-N 3.07Å; D921-F924 WeakPolarHBondContact OD1-CB 3.21Å; D921-F924 PolarHBondContact OD1-N 2.76Å; D921-F924 WeakPolarHBondContact OD2-CB 3.39Å; F924-G926 VanDerWaalsContact C-N 3.3Å; F924-R1907 HydrophobicContact CD1-CG 4.35Å; F924-R1907 HydrophobicContact CE1-CG 3.38Å; F924-R1907 VanDerWaalsContact CE1-NH2 3.28Å; F924-R1907 HydrophobicContact CZ-CG 4.04Å; F924-R1907 PolarHBondContact O-NH2 2.67Å
925	E	54.8	Low	61.2	Low	50 Å²	50	54.3 Å²	54.3	23%	0.234	31%	0.311	C	S	.	.	H	α-helix	trans	-73.4	-22.6	163.7	-71.7	-81.3	100.5	0	0	111.9	V920 D921 T927 R1907 V1909	V920-E925 HydrophobicContact CG1-CG 3.97Å; D921-E925 WeakPolarHBondContact O-CB 3.39Å; D921-E925 VanDerWaalsContact O-CG 3.31Å; D921-E925 WeakPolarHBondContact O-CG 3.37Å; D921-E925 PolarHBondContact O-N 2.83Å; E925-T927 VanDerWaalsContact C-N 3.31Å; E925-T927 HydrophobicContact CB-CG2 4.33Å; E925-R1907 IonicContact OE1-CZ 3.4Å; E925-R1907 IonicContact OE1-NH1 3.41Å; E925-R1907 PolarHBondContact OE1-NH1 2.85Å; E925-R1907 IonicContact OE1-NH2 3.42Å; E925-V1909 HydrophobicContact CG-CG1 4.15Å; E925-V1909 WeakPolarHBondContact OE2-CG1 3.32Å
926	G	56.4	Low	61.5	Low	51 Å²	51	54.1 Å²	54.1	53%	0.526	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.7	18.9	-175.7	0	0	0	0	0	113.5	E922 F924	E922-G926 PolarHBondContact O-N 2.77Å; F924-G926 VanDerWaalsContact C-N 3.3Å
927	T	57.9	Low	62.2	Low	89 Å²	89	55.3 Å²	55.3	55%	0.546	32%	0.318	S	S	.	.			trans	-89.4	-5.6	174.7	46.2	0	0	0	0	112.7	E922 E925	E922-T927 PolarHBondContact O-N 2.74Å; E922-T927 VanDerWaalsContact O-N 3.14Å; E925-T927 VanDerWaalsContact C-N 3.31Å; E925-T927 HydrophobicContact CB-CG2 4.33Å
928	H	64.6	Low	62.5	Low	63 Å²	63	56.1 Å²	56.1	29%	0.292	32%	0.323	S	S	.	.			trans	-62.2	149.4	167.6	75.4	96	0	0	0	112.4	E922 C930 C937 Y944	E922-H928 PolarHBondContact O-CD2 2.96Å; E922-H928 PolarHBondContact O-N 2.7Å; H928-C930 WeakPolarHBondContact ND1-CB 3.43Å; H928-C930 PolarHBondContact ND1-N 3.46Å; H928-C930 PolarHBondContact ND1-SG 2.84Å; H928-C937 VanDerWaalsContact CB-SG 3.51Å; H928-C937 VanDerWaalsContact CG-SG 3.53Å; H928-Y944 HydrophobicContact CB-CD1 4.21Å; H928-Y944 HydrophobicContact CB-CD2 3.52Å; H928-Y944 HydrophobicContact CB-CE1 4.37Å; H928-Y944 HydrophobicContact CB-CE2 3.71Å; H928-Y944 HydrophobicContact CB-CG 3.8Å
929	D	70.1	Confident	62.6	Low	75 Å²	75	55.6 Å²	55.6	40%	0.401	32%	0.324	S	S	.	.			trans	-114.2	29.5	176.9	59.7	17.6	0	0	0	112.7	Y944 R965	D929-Y944 WeakPolarHBondContact OD1-CE2 3.4Å; D929-Y944 PolarHBondContact OD1-OH 3.47Å; D929-Y944 PolarHBondContact OD2-OH 3Å; D929-R965 WeakPolarHBondContact O-CG 3.06Å; D929-R965 WeakPolarHBondContact OD1-CD 3.4Å; D929-R965 IonicContact OD1-CZ 2.66Å; D929-R965 IonicContact OD1-NE 3.5Å; D929-R965 PolarHBondContact OD1-NE 3.15Å; D929-R965 IonicContact OD1-NH1 3.33Å; D929-R965 PolarHBondContact OD1-NH1 2.02Å; D929-R965 IonicContact OD1-NH2 3.17Å; D929-R965 PolarHBondContact OD1-NH2 3.19Å; D929-R965 IonicContact OD2-CZ 2.77Å; D929-R965 IonicContact OD2-NH1 3.76Å; D929-R965 PolarHBondContact OD2-NH1 3.45Å; D929-R965 IonicContact OD2-NH2 2.91Å
930	C	77.7	Confident	62.7	Low	9 Å²	9	55.1 Å²	55.1	6%	0.061	32%	0.324	C	S	.	.	S	Bend	trans	-61.4	161.4	167.4	-42	0	0	0	0	112	H928 P932 C937 C946 G964	H928-C930 WeakPolarHBondContact ND1-CB 3.43Å; H928-C930 PolarHBondContact ND1-N 3.46Å; H928-C930 PolarHBondContact ND1-SG 2.84Å; C930-P932 WeakPolarHBondContact O-CD 3.48Å; C930-C937 PolarHBondContact SG-SG 2.77Å; C930-C946 WeakPolarHBondContact CA-SG 3.45Å; C930-C946 HydrophobicContact CB-CB 3.67Å; C930-C946 WeakPolarHBondContact CB-SG 3.37Å; C930-C946 PolarHBondContact N-SG 3.45Å; C930-C946 VanDerWaalsContact N-SG 3.37Å; C930-C946 VanDerWaalsContact SG-CA 3.52Å; C930-C946 WeakPolarHBondContact SG-CB 3.36Å; C930-C946 CovalentContact SG-SG 2.02Å; C930-C946 PolarHBondContact SG-SG 3.01Å; C930-G964 CarbonylContact C-O 3.31Å; C930-G964 WeakPolarHBondContact CA-O 2.9Å
931	A	69.3	Low	62.4	Low	7 Å²	7	57.7 Å²	57.7	6%	0.058	34%	0.341	C	S	.	.			trans	-63.9	120.4	-175.9	0	0	0	0	0	111.5	V933 G935 G964 R965 C967	A931-V933 PolarHBondContact O-N 3Å; A931-G935 WeakPolarHBondContact O-CA 3.45Å; A931-G935 PolarHBondContact O-N 2.91Å; A931-G935 VanDerWaalsContact O-N 3.13Å; A931-G964 WeakPolarHBondContact CB-O 3.28Å; A931-G964 PolarHBondContact N-O 2.86Å; A931-R965 VanDerWaalsContact CA-O 3.32Å; A931-R965 WeakPolarHBondContact CA-O 2.97Å; A931-R965 WeakPolarHBondContact CB-O 3.27Å; A931-R965 PolarHBondContact N-O 2.9Å; A931-C967 HydrophobicContact CB-CB 3.77Å
932	P	66.3	Low	61.7	Low	129 Å²	129	59.4 Å²	59.4	84%	0.838	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.9	-2.1	-176.9	28.5	-36.2	0	0	0	114.1	C930	C930-P932 WeakPolarHBondContact O-CD 3.48Å
933	V	55.6	Low	61.3	Low	60 Å²	60	59.9 Å²	59.9	36%	0.364	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-138	119.6	168.7	-174.6	0	0	0	0	107.9	A931 G935 Y952	A931-V933 PolarHBondContact O-N 3Å; V933-G935 VanDerWaalsContact C-N 3.26Å; V933-G935 PolarHBondContact O-N 3.26Å; V933-Y952 HydrophobicContact CG1-CE1 3.8Å
934	G	60.3	Low	61.1	Low	14 Å²	14	60.7 Å²	60.7	14%	0.144	36%	0.357	C	S	.	.	T	Hydrogen-bonded Turn	trans	77.9	-0.3	178.8	0	0	0	0	0	115.6	C948 A949 C967	G934-C948 CarbonylContact O-C 2.93Å; G934-C948 VanDerWaalsContact O-CA 3.28Å; G934-C948 WeakPolarHBondContact O-CA 3.21Å; G934-A949 PolarHBondContact O-N 3.36Å; G934-C967 WeakPolarHBondContact O-CB 3.08Å; G934-C967 PolarHBondContact O-SG 2.97Å; G934-C967 VanDerWaalsContact O-SG 3.34Å
935	G	64.4	Low	61.5	Low	24 Å²	24	59.1 Å²	59.1	25%	0.247	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	140.3	168.9	0	0	0	0	0	111.7	A931 V933 T947 C967	A931-G935 WeakPolarHBondContact O-CA 3.45Å; A931-G935 PolarHBondContact O-N 2.91Å; A931-G935 VanDerWaalsContact O-N 3.13Å; V933-G935 VanDerWaalsContact C-N 3.26Å; V933-G935 PolarHBondContact O-N 3.26Å; G935-T947 CarbonylContact C-O 3.55Å; G935-T947 VanDerWaalsContact CA-O 3.32Å; G935-T947 WeakPolarHBondContact CA-O 3.42Å; G935-C967 VanDerWaalsContact CA-SG 3.58Å
936	L	70.6	Confident	62.3	Low	84 Å²	84	57 Å²	57	44%	0.44	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	149.4	165.5	-152.6	77.2	0	0	0	108.1	E938 C946 T947	L936-E938 HydrophobicContact CD2-CG 4.41Å; L936-C946 WeakPolarHBondContact O-CA 3.4Å; L936-T947 PolarHBondContact N-O 2.88Å; L936-T947 PolarHBondContact O-N 3.1Å
937	C	76.9	Confident	63.1	Low	35 Å²	35	56.2 Å²	56.2	24%	0.236	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	129.1	174	-164.6	0	0	0	0	108.3	C923 H928 C930 K945	C923-C937 WeakPolarHBondContact CA-SG 3.3Å; C923-C937 HydrophobicContact CB-CB 3.64Å; C923-C937 WeakPolarHBondContact CB-SG 3.5Å; C923-C937 WeakPolarHBondContact SG-CB 3.29Å; C923-C937 CovalentContact SG-SG 2.03Å; C923-C937 PolarHBondContact SG-SG 2.98Å; H928-C937 VanDerWaalsContact CB-SG 3.51Å; H928-C937 VanDerWaalsContact CG-SG 3.53Å; C930-C937 PolarHBondContact SG-SG 2.77Å; C937-K945 WeakPolarHBondContact CA-O 3.1Å
938	E	64.5	Low	63.8	Low	100 Å²	100	53.5 Å²	53.5	47%	0.467	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	116.6	178.2	-65.6	178.5	150	0	0	107.5	C923 L936 K945	C923-E938 VanDerWaalsContact SG-C 3.56Å; C923-E938 PolarHBondContact SG-N 3.22Å; C923-E938 VanDerWaalsContact SG-N 3.4Å; L936-E938 HydrophobicContact CD2-CG 4.41Å; E938-K945 PolarHBondContact N-O 2.86Å; E938-K945 PolarHBondContact O-N 3.17Å
939	D	56.9	Low	63.7	Low	61 Å²	61	52.1 Å²	52.1	33%	0.326	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	142.6	-177	-161.2	55.7	0	0	0	111.2	D921 E922 C923	D921-D939 WeakPolarHBondContact CA-OD1 3.34Å; D921-D939 WeakPolarHBondContact CA-OD2 3.12Å; E922-D939 PolarHBondContact N-OD1 2.93Å; C923-D939 HydrophobicContact CB-CB 4.46Å
940	T	49.9	Very low	63.3	Low	53 Å²	53	54.9 Å²	54.9	33%	0.325	33%	0.334	S	S	.	.			trans	-137.1	161.1	-176.7	87.2	0	0	0	0	111.7	D942 S943 K945	T940-D942 PolarHBondContact O-N 2.96Å; T940-S943 CarbonylContact C-O 3.46Å; T940-S943 WeakPolarHBondContact CA-O 3.49Å; T940-S943 WeakPolarHBondContact CB-O 3.48Å; T940-S943 PolarHBondContact N-O 3.12Å; T940-S943 VanDerWaalsContact N-O 3.1Å; T940-S943 PolarHBondContact O-N 3.32Å; T940-S943 VanDerWaalsContact O-O 3.13Å; T940-S943 PolarHBondContact OG1-O 2.66Å; T940-K945 HydrophobicContact CG2-CB 3.96Å
941	P	44.4	Very low	62.2	Low	85 Å²	85	56.3 Å²	56.3	55%	0.552	35%	0.351	S	S	*	.	S	Bend	trans	-56.5	-16.4	-172.2	-29.6	38	0	0	0	117.2	L919	L919-P941 HydrophobicContact CD1-CB 4.39Å; L919-P941 WeakPolarHBondContact CD1-O 3.31Å; L919-P941 WeakPolarHBondContact CD2-O 3.33Å; L919-P941 VanDerWaalsContact CG-O 3.31Å; L919-P941 WeakPolarHBondContact CG-O 3.36Å
942	D	41.3	Very low	61.9	Low	96 Å²	96	59.9 Å²	59.9	51%	0.513	36%	0.363	S	S	.	.	S	Bend	trans	-111.6	-35	-177.3	-70.9	49.5	0	0	0	113.5	L903 K917 T940	L903-D942 WeakPolarHBondContact CD1-OD1 3.38Å; L903-D942 HydrophobicContact CD2-CB 4.05Å; K917-D942 PolarHBondContact NZ-O 2.77Å; K917-D942 VanDerWaalsContact NZ-O 3.16Å; T940-D942 PolarHBondContact O-N 2.96Å
943	S	53.7	Low	61.6	Low	42 Å²	42	54.7 Å²	54.7	29%	0.294	33%	0.331	S	S	.	.	S	Bend	trans	-173.3	-175	174.1	-161.8	0	0	0	0	110.5	E922 T940	E922-S943 WeakPolarHBondContact OE2-CA 3.23Å; E922-S943 WeakPolarHBondContact OE2-CB 3.13Å; E922-S943 PolarHBondContact OE2-OG 2.76Å; T940-S943 CarbonylContact C-O 3.46Å; T940-S943 WeakPolarHBondContact CA-O 3.49Å; T940-S943 WeakPolarHBondContact CB-O 3.48Å; T940-S943 PolarHBondContact N-O 3.12Å; T940-S943 VanDerWaalsContact N-O 3.1Å; T940-S943 PolarHBondContact O-N 3.32Å; T940-S943 VanDerWaalsContact O-O 3.13Å; T940-S943 PolarHBondContact OG1-O 2.66Å
944	Y	65	Low	62	Low	42 Å²	42	54 Å²	54	17%	0.165	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	142.6	172.7	62.3	-78.4	0	0	0	114.6	E922 H928 D929 C946 R965	E922-Y944 HydrophobicContact CB-CD1 3.32Å; E922-Y944 HydrophobicContact CB-CE1 4.07Å; E922-Y944 HydrophobicContact CB-CG 4.03Å; E922-Y944 HydrophobicContact CG-CD1 4.03Å; E922-Y944 VanDerWaalsContact OE2-CD1 3.31Å; E922-Y944 WeakPolarHBondContact OE2-CD1 3.39Å; E922-Y944 PolarHBondContact OE2-N 3.25Å; H928-Y944 HydrophobicContact CB-CD1 4.21Å; H928-Y944 HydrophobicContact CB-CD2 3.52Å; H928-Y944 HydrophobicContact CB-CE1 4.37Å; H928-Y944 HydrophobicContact CB-CE2 3.71Å; H928-Y944 HydrophobicContact CB-CG 3.8Å; D929-Y944 WeakPolarHBondContact OD1-CE2 3.4Å; D929-Y944 PolarHBondContact OD1-OH 3.47Å; D929-Y944 PolarHBondContact OD2-OH 3Å; Y944-C946 WeakPolarHBondContact CD2-SG 3.06Å; Y944-C946 VanDerWaalsContact CE2-SG 3.55Å; Y944-R965 PolarHBondContact OH-NH2 2.01Å
945	K	70.1	Confident	62.5	Low	73 Å²	73	56.2 Å²	56.2	32%	0.317	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	140.6	160.4	-171.7	169.3	-175.3	172.6	0	110.1	C937 E938 T940 T947 E1182	C937-K945 WeakPolarHBondContact CA-O 3.1Å; E938-K945 PolarHBondContact N-O 2.86Å; E938-K945 PolarHBondContact O-N 3.17Å; T940-K945 HydrophobicContact CG2-CB 3.96Å; K945-T947 HydrophobicContact CG-CG2 4.37Å; K945-E1182 IonicContact NZ-OE1 3.57Å; K945-E1182 IonicContact NZ-OE2 2.81Å; K945-E1182 PolarHBondContact NZ-OE2 3.34Å
946	C	72	Confident	62.4	Low	4 Å²	4	55.5 Å²	55.5	3%	0.027	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	137.1	173.9	-67.5	0	0	0	0	109.3	C930 L936 Y944 P963 R965	C930-C946 WeakPolarHBondContact CA-SG 3.45Å; C930-C946 HydrophobicContact CB-CB 3.67Å; C930-C946 WeakPolarHBondContact CB-SG 3.37Å; C930-C946 PolarHBondContact N-SG 3.45Å; C930-C946 VanDerWaalsContact N-SG 3.37Å; C930-C946 VanDerWaalsContact SG-CA 3.52Å; C930-C946 WeakPolarHBondContact SG-CB 3.36Å; C930-C946 CovalentContact SG-SG 2.02Å; C930-C946 PolarHBondContact SG-SG 3.01Å; L936-C946 WeakPolarHBondContact O-CA 3.4Å; Y944-C946 WeakPolarHBondContact CD2-SG 3.06Å; Y944-C946 VanDerWaalsContact CE2-SG 3.55Å; C946-P963 WeakPolarHBondContact CB-O 3.39Å; C946-P963 CarbonylContact O-C 3.43Å; C946-P963 VanDerWaalsContact O-C 3.31Å; C946-P963 WeakPolarHBondContact O-CB 3.36Å; C946-P963 WeakPolarHBondContact O-CG 3.49Å; C946-R965 HydrophobicContact CB-CG 4.42Å
947	T	73.2	Confident	61.8	Low	36 Å²	36	57.7 Å²	57.7	22%	0.221	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	179.3	173.4	64.1	0	0	0	0	109.9	G935 L936 K945 G964	G935-T947 CarbonylContact C-O 3.55Å; G935-T947 VanDerWaalsContact CA-O 3.32Å; G935-T947 WeakPolarHBondContact CA-O 3.42Å; L936-T947 PolarHBondContact N-O 2.88Å; L936-T947 PolarHBondContact O-N 3.1Å; K945-T947 HydrophobicContact CG-CG2 4.37Å; T947-G964 WeakPolarHBondContact O-CA 3.41Å
948	C	72.8	Confident	60.7	Low	32 Å²	32	59.5 Å²	59.5	22%	0.216	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	135.1	171.7	-62.2	0	0	0	0	111.7	G934 Y952 D954 C967	G934-C948 CarbonylContact O-C 2.93Å; G934-C948 VanDerWaalsContact O-CA 3.28Å; G934-C948 WeakPolarHBondContact O-CA 3.21Å; C948-Y952 WeakPolarHBondContact CB-O 3.49Å; C948-D954 WeakPolarHBondContact SG-CA 2.98Å; C948-D954 WeakPolarHBondContact SG-CB 3.07Å; C948-C967 VanDerWaalsContact CA-SG 3.51Å; C948-C967 HydrophobicContact CB-CB 3.9Å; C948-C967 WeakPolarHBondContact CB-SG 3.22Å; C948-C967 WeakPolarHBondContact SG-CB 3.09Å; C948-C967 CovalentContact SG-SG 2.04Å; C948-C967 PolarHBondContact SG-SG 3.25Å
949	A	62.9	Low	60.2	Low	34 Å²	34	57.1 Å²	57.1	28%	0.281	35%	0.346	S	S	.	.			trans	-69	145.7	176.6	0	0	0	0	0	111.5	G934 G951 Y952	G934-A949 PolarHBondContact O-N 3.36Å; A949-G951 PolarHBondContact O-N 2.82Å; A949-Y952 PolarHBondContact O-N 3.26Å
950	S	60.8	Low	60	Low	133 Å²	133	58.9 Å²	58.9	93%	0.93	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.8	121.6	-178.3	-73.9	0	0	0	0	112.3
951	G	56.2	Low	60.2	Low	39 Å²	39	63.2 Å²	63.2	40%	0.402	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	109.3	-6.4	-171.4	0	0	0	0	0	114.2	A949 L970	A949-G951 PolarHBondContact O-N 2.82Å; G951-L970 WeakPolarHBondContact O-CB 3.37Å; G951-L970 WeakPolarHBondContact O-CG 3.33Å; G951-L970 PolarHBondContact O-N 3.37Å
952	Y	61.7	Low	60.9	Low	81 Å²	81	63.8 Å²	63.8	32%	0.318	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	129.7	177.9	-63.7	-108	0	0	0	111.2	V933 C948 A949 K968 P969	V933-Y952 HydrophobicContact CG1-CE1 3.8Å; C948-Y952 WeakPolarHBondContact CB-O 3.49Å; A949-Y952 PolarHBondContact O-N 3.26Å; Y952-K968 CarbonylContact C-O 3.37Å; Y952-K968 WeakPolarHBondContact CA-O 3.15Å; Y952-P969 VanDerWaalsContact CD1-CA 3.49Å; Y952-P969 HydrophobicContact CD1-CB 3.84Å; Y952-P969 HydrophobicContact CD1-CG 4.34Å; Y952-P969 VanDerWaalsContact CD1-N 3.26Å; Y952-P969 HydrophobicContact CE1-CB 3.56Å; Y952-P969 HydrophobicContact CE1-CG 3.99Å
953	A	60.7	Low	62.1	Low	20 Å²	20	60 Å²	60	17%	0.165	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	145.9	172	0	0	0	0	0	111.3	C967 K968 L970	A953-C967 CarbonylContact O-C 3.59Å; A953-C967 VanDerWaalsContact O-CA 3.31Å; A953-C967 WeakPolarHBondContact O-CA 3.37Å; A953-K968 PolarHBondContact N-O 3.31Å; A953-K968 PolarHBondContact O-N 3.35Å; A953-L970 HydrophobicContact CB-CD2 3.6Å
954	D	63.5	Low	62.8	Low	45 Å²	45	58 Å²	58	24%	0.241	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	131.3	171.9	-161.5	-6.4	0	0	0	111.4	C948 S956 P963 G964	C948-D954 WeakPolarHBondContact SG-CA 2.98Å; C948-D954 WeakPolarHBondContact SG-CB 3.07Å; D954-S956 VanDerWaalsContact OD1-CB 3.23Å; D954-S956 WeakPolarHBondContact OD1-CB 3.13Å; D954-S956 PolarHBondContact OD1-N 3.45Å; D954-S956 PolarHBondContact OD1-OG 2.87Å; D954-P963 VanDerWaalsContact OD2-CA 3.27Å; D954-P963 WeakPolarHBondContact OD2-CA 3.38Å; D954-G964 PolarHBondContact OD2-N 2.03Å
955	V	70.7	Confident	63.1	Low	62 Å²	62	58.6 Å²	58.6	38%	0.376	33%	0.332	S	S	.	.			trans	-136.8	29.7	173	-61.8	0	0	0	0	111	V966 K968	V955-V966 CarbonylContact C-O 3.2Å; V955-V966 WeakPolarHBondContact CA-O 3.48Å; V955-V966 HydrophobicContact CG2-CB 4.22Å; V955-V966 HydrophobicContact CG2-CG1 3.85Å; V955-V966 WeakPolarHBondContact CG2-O 3.24Å; V955-V966 PolarHBondContact N-O 3.19Å; V955-K968 HydrophobicContact CG1-CD 4.38Å; V955-K968 HydrophobicContact CG2-CB 4.45Å; V955-K968 HydrophobicContact CG2-CD 3.64Å; V955-K968 HydrophobicContact CG2-CG 3.77Å
956	S	63.2	Low	63	Low	8 Å²	8	57.9 Å²	57.9	6%	0.056	33%	0.334	C	S	.	.			trans	-54.7	143.9	170.9	-57.9	0	0	0	0	110.6	D954 D958 V959 K962 G964 R965 V966	D954-S956 VanDerWaalsContact OD1-CB 3.23Å; D954-S956 WeakPolarHBondContact OD1-CB 3.13Å; D954-S956 PolarHBondContact OD1-N 3.45Å; D954-S956 PolarHBondContact OD1-OG 2.87Å; S956-D958 PolarHBondContact O-N 2.95Å; S956-V959 VanDerWaalsContact O-CG2 3.31Å; S956-V959 WeakPolarHBondContact O-CG2 3.09Å; S956-K962 VanDerWaalsContact CB-O 3.26Å; S956-K962 WeakPolarHBondContact CB-O 3.19Å; S956-G964 PolarHBondContact OG-N 2.79Å; S956-R965 WeakPolarHBondContact OG-CA 3.29Å; S956-R965 PolarHBondContact OG-N 2.85Å; S956-V966 PolarHBondContact N-O 2.81Å; S956-V966 PolarHBondContact OG-N 2.57Å
957	P	56.4	Low	62.9	Low	130 Å²	130	58.3 Å²	58.3	84%	0.844	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-14	-176.3	-25	35.3	0	0	0	115.9
958	D	55.1	Low	62.3	Low	73 Å²	73	62.4 Å²	62.4	39%	0.39	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-149.8	64.1	-175.6	-165.6	11.8	0	0	0	107.8	S956 D960 K961 K962	S956-D958 PolarHBondContact O-N 2.95Å; D958-D960 PolarHBondContact O-N 2.97Å; D958-K961 PolarHBondContact O-N 3.05Å; D958-K962 CarbonylContact O-C 3.34Å; D958-K962 WeakPolarHBondContact O-CA 3.33Å; D958-K962 PolarHBondContact O-N 2.91Å
959	V	54.6	Low	61.4	Low	51 Å²	51	64.6 Å²	64.6	31%	0.309	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.6	-40	-169.6	176.5	0	0	0	0	112.1	S956 K961 P963	S956-V959 VanDerWaalsContact O-CG2 3.31Å; S956-V959 WeakPolarHBondContact O-CG2 3.09Å; V959-K961 VanDerWaalsContact C-N 3.31Å; V959-K961 PolarHBondContact O-N 2.94Å; V959-P963 HydrophobicContact CG1-CB 4.47Å; V959-P963 WeakPolarHBondContact O-CA 3.47Å; V959-P963 WeakPolarHBondContact O-CB 3.43Å; V959-P963 WeakPolarHBondContact O-CD 3.29Å; V959-P963 WeakPolarHBondContact O-CG 3.19Å
960	D	52	Low	60.8	Low	97 Å²	97	66.2 Å²	66.2	52%	0.519	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-10.2	-169.2	-38.6	-66.7	0	0	0	113.4	D958 E1185	D958-D960 PolarHBondContact O-N 2.97Å; D960-E1185 HydrophobicContact CB-CG 4.3Å
961	K	53	Low	60.4	Low	145 Å²	145	67 Å²	67	63%	0.63	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115.9	-25.3	174.4	-72.7	171.7	-178.2	163.7	0	113.2	D958 V959	D958-K961 PolarHBondContact O-N 3.05Å; V959-K961 VanDerWaalsContact C-N 3.31Å; V959-K961 PolarHBondContact O-N 2.94Å
962	K	60.8	Low	60.3	Low	96 Å²	96	67.6 Å²	67.6	42%	0.417	35%	0.35	S	S	.	.	S	Bend	trans	-143.9	58.8	-173.1	-74.2	-170.3	163.6	-150	0	110	S956 D958	S956-K962 VanDerWaalsContact CB-O 3.26Å; S956-K962 WeakPolarHBondContact CB-O 3.19Å; D958-K962 CarbonylContact O-C 3.34Å; D958-K962 WeakPolarHBondContact O-CA 3.33Å; D958-K962 PolarHBondContact O-N 2.91Å
963	P	65.2	Low	60.4	Low	18 Å²	18	66.1 Å²	66.1	12%	0.117	35%	0.346	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.1	168.9	178.3	22.1	-25.1	0	0	0	111.2	C946 D954 V959 R965	C946-P963 WeakPolarHBondContact CB-O 3.39Å; C946-P963 CarbonylContact O-C 3.43Å; C946-P963 VanDerWaalsContact O-C 3.31Å; C946-P963 WeakPolarHBondContact O-CB 3.36Å; C946-P963 WeakPolarHBondContact O-CG 3.49Å; D954-P963 VanDerWaalsContact OD2-CA 3.27Å; D954-P963 WeakPolarHBondContact OD2-CA 3.38Å; V959-P963 HydrophobicContact CG1-CB 4.47Å; V959-P963 WeakPolarHBondContact O-CA 3.47Å; V959-P963 WeakPolarHBondContact O-CB 3.43Å; V959-P963 WeakPolarHBondContact O-CD 3.29Å; V959-P963 WeakPolarHBondContact O-CG 3.19Å; P963-R965 WeakPolarHBondContact O-CG 3.47Å; P963-R965 PolarHBondContact O-N 3.4Å
964	G	68.3	Low	60.8	Low	0 Å²	0	66.7 Å²	66.7	0%	0	35%	0.348	C	S	.	.	T	Hydrogen-bonded Turn	trans	62.4	10.2	169.6	0	0	0	0	0	116.6	C930 A931 T947 D954 S956	C930-G964 CarbonylContact C-O 3.31Å; C930-G964 WeakPolarHBondContact CA-O 2.9Å; A931-G964 WeakPolarHBondContact CB-O 3.28Å; A931-G964 PolarHBondContact N-O 2.86Å; T947-G964 WeakPolarHBondContact O-CA 3.41Å; D954-G964 PolarHBondContact OD2-N 2.03Å; S956-G964 PolarHBondContact OG-N 2.79Å
965	R	72.1	Confident	60.9	Low	53 Å²	53	71 Å²	71	20%	0.2	37%	0.37	C	S	.	.	S	Bend	trans	-88.2	-23.8	-178.8	-59	-166.9	-175.1	-146.9	-19.9	113.9	D929 A931 Y944 C946 S956 P963	D929-R965 WeakPolarHBondContact O-CG 3.06Å; D929-R965 WeakPolarHBondContact OD1-CD 3.4Å; D929-R965 IonicContact OD1-CZ 2.66Å; D929-R965 IonicContact OD1-NE 3.5Å; D929-R965 PolarHBondContact OD1-NE 3.15Å; D929-R965 IonicContact OD1-NH1 3.33Å; D929-R965 PolarHBondContact OD1-NH1 2.02Å; D929-R965 IonicContact OD1-NH2 3.17Å; D929-R965 PolarHBondContact OD1-NH2 3.19Å; D929-R965 IonicContact OD2-CZ 2.77Å; D929-R965 IonicContact OD2-NH1 3.76Å; D929-R965 PolarHBondContact OD2-NH1 3.45Å; D929-R965 IonicContact OD2-NH2 2.91Å; A931-R965 VanDerWaalsContact CA-O 3.32Å; A931-R965 WeakPolarHBondContact CA-O 2.97Å; A931-R965 WeakPolarHBondContact CB-O 3.27Å; A931-R965 PolarHBondContact N-O 2.9Å; Y944-R965 PolarHBondContact OH-NH2 2.01Å; C946-R965 HydrophobicContact CB-CG 4.42Å; S956-R965 WeakPolarHBondContact OG-CA 3.29Å; S956-R965 PolarHBondContact OG-N 2.85Å; P963-R965 WeakPolarHBondContact O-CG 3.47Å; P963-R965 PolarHBondContact O-N 3.4Å
966	V	68	Low	60.4	Low	58 Å²	58	71.6 Å²	71.6	35%	0.352	37%	0.374	S	S	.	.	S	Bend	trans	-137.4	92.8	170.3	-168.3	0	0	0	0	110	V955 S956	V955-V966 CarbonylContact C-O 3.2Å; V955-V966 WeakPolarHBondContact CA-O 3.48Å; V955-V966 HydrophobicContact CG2-CB 4.22Å; V955-V966 HydrophobicContact CG2-CG1 3.85Å; V955-V966 WeakPolarHBondContact CG2-O 3.24Å; V955-V966 PolarHBondContact N-O 3.19Å; S956-V966 PolarHBondContact N-O 2.81Å; S956-V966 PolarHBondContact OG-N 2.57Å
967	C	69.2	Low	60.2	Low	13 Å²	13	79.4 Å²	79.4	9%	0.088	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	146	177.2	-56.1	0	0	0	0	111.4	A931 G934 G935 C948 A953	A931-C967 HydrophobicContact CB-CB 3.77Å; G934-C967 WeakPolarHBondContact O-CB 3.08Å; G934-C967 PolarHBondContact O-SG 2.97Å; G934-C967 VanDerWaalsContact O-SG 3.34Å; G935-C967 VanDerWaalsContact CA-SG 3.58Å; C948-C967 VanDerWaalsContact CA-SG 3.51Å; C948-C967 HydrophobicContact CB-CB 3.9Å; C948-C967 WeakPolarHBondContact CB-SG 3.22Å; C948-C967 WeakPolarHBondContact SG-CB 3.09Å; C948-C967 CovalentContact SG-SG 2.04Å; C948-C967 PolarHBondContact SG-SG 3.25Å; A953-C967 CarbonylContact O-C 3.59Å; A953-C967 VanDerWaalsContact O-CA 3.31Å; A953-C967 WeakPolarHBondContact O-CA 3.37Å
968	K	60.2	Low	60.4	Low	122 Å²	122	76.7 Å²	76.7	53%	0.53	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	135.9	179	-77.8	-179.4	-175.8	154.6	0	112.2	Y952 A953 V955 L970	Y952-K968 CarbonylContact C-O 3.37Å; Y952-K968 WeakPolarHBondContact CA-O 3.15Å; A953-K968 PolarHBondContact N-O 3.31Å; A953-K968 PolarHBondContact O-N 3.35Å; V955-K968 HydrophobicContact CG1-CD 4.38Å; V955-K968 HydrophobicContact CG2-CB 4.45Å; V955-K968 HydrophobicContact CG2-CD 3.64Å; V955-K968 HydrophobicContact CG2-CG 3.77Å; K968-L970 PolarHBondContact O-N 2.74Å
969	P	55.4	Low	60.5	Low	79 Å²	79	75.4 Å²	75.4	51%	0.513	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	133.5	-178.4	25.2	-32.3	0	0	0	112	Y952	Y952-P969 VanDerWaalsContact CD1-CA 3.49Å; Y952-P969 HydrophobicContact CD1-CB 3.84Å; Y952-P969 HydrophobicContact CD1-CG 4.34Å; Y952-P969 VanDerWaalsContact CD1-N 3.26Å; Y952-P969 HydrophobicContact CE1-CB 3.56Å; Y952-P969 HydrophobicContact CE1-CG 3.99Å
970	L	50.6	Low	61.4	Low	68 Å²	68	76.7 Å²	76.7	36%	0.356	39%	0.389	S	S	.	.			trans	-68.1	129.1	180	-63.4	171.2	0	0	0	110.9	G951 A953 K968 A991	G951-L970 WeakPolarHBondContact O-CB 3.37Å; G951-L970 WeakPolarHBondContact O-CG 3.33Å; G951-L970 PolarHBondContact O-N 3.37Å; A953-L970 HydrophobicContact CB-CD2 3.6Å; K968-L970 PolarHBondContact O-N 2.74Å; L970-A991 WeakPolarHBondContact CD1-O 3.2Å; L970-A991 VanDerWaalsContact CD2-O 3.31Å; L970-A991 WeakPolarHBondContact CD2-O 3.4Å
971	K	50.5	Low	62.6	Low	148 Å²	148	73.3 Å²	73.3	64%	0.643	37%	0.373	S	S	*	.			trans	-154.8	95.2	-163	-173.4	-179.5	-177.3	173	0	113.9	E973	K971-E973 VanDerWaalsContact O-CD 3.3Å; K971-E973 WeakPolarHBondContact O-CG 3.05Å; K971-E973 PolarHBondContact O-N 2.87Å
972	D	54.6	Low	63.5	Low	53 Å²	53	67.7 Å²	67.7	28%	0.283	35%	0.352	S	S	.	.			trans	-33.1	100.2	-178	-173.6	-34.9	0	0	0	114.3	C974 I975 T976 D989	D972-C974 VanDerWaalsContact C-N 3.32Å; D972-C974 WeakPolarHBondContact OD1-CA 3.47Å; D972-C974 PolarHBondContact OD1-N 3.23Å; D972-I975 HydrophobicContact CB-CB 4.43Å; D972-I975 WeakPolarHBondContact OD1-CB 3.43Å; D972-I975 WeakPolarHBondContact OD1-CG1 3.46Å; D972-I975 PolarHBondContact OD1-N 2.86Å; D972-I975 WeakPolarHBondContact OD2-CD1 3.3Å; D972-I975 VanDerWaalsContact OD2-CG1 3.26Å; D972-I975 WeakPolarHBondContact OD2-CG1 3.04Å; D972-T976 WeakPolarHBondContact O-CG2 3.5Å; D972-T976 PolarHBondContact O-N 3.38Å; D972-T976 PolarHBondContact O-OG1 2.82Å; D972-D989 WeakPolarHBondContact CA-OD1 3.4Å; D972-D989 VanDerWaalsContact CA-OD2 3.28Å; D972-D989 WeakPolarHBondContact CA-OD2 3.47Å; D972-D989 WeakPolarHBondContact CB-OD2 3.5Å; D972-D989 VanDerWaalsContact CG-OD2 3.27Å
973	E	63.7	Low	64.1	Low	49 Å²	49	67.5 Å²	67.5	23%	0.229	37%	0.368	C	S	.	.	H	α-helix	trans	-80.2	-17.8	-178	-64.9	98.4	172.2	0	0	112	K971 T976 K977 S978 N979 D989 Y994	K971-E973 VanDerWaalsContact O-CD 3.3Å; K971-E973 WeakPolarHBondContact O-CG 3.05Å; K971-E973 PolarHBondContact O-N 2.87Å; E973-T976 WeakPolarHBondContact CA-OG1 2.96Å; E973-K977 WeakPolarHBondContact O-CA 3.47Å; E973-K977 PolarHBondContact O-N 3.5Å; E973-S978 PolarHBondContact O-N 3.05Å; E973-N979 PolarHBondContact O-ND2 3.39Å; E973-D989 PolarHBondContact N-OD1 3.1Å; E973-Y994 HydrophobicContact CB-CD1 3.38Å; E973-Y994 HydrophobicContact CB-CE1 3.94Å; E973-Y994 HydrophobicContact CB-CG 3.88Å; E973-Y994 HydrophobicContact CG-CD1 3.64Å; E973-Y994 HydrophobicContact CG-CE1 4.02Å; E973-Y994 WeakPolarHBondContact OE2-CD1 2.99Å; E973-Y994 PolarHBondContact OE2-N 3.09Å; E973-Y994 VanDerWaalsContact OE2-N 3.14Å
974	C	69.3	Low	64.5	Low	33 Å²	33	69.8 Å²	69.8	22%	0.223	38%	0.379	C	S	.	.	H	α-helix	trans	-75.4	-37.4	176.5	-65.9	0	0	0	0	113.1	D972 C987 I988 D989	D972-C974 VanDerWaalsContact C-N 3.32Å; D972-C974 WeakPolarHBondContact OD1-CA 3.47Å; D972-C974 PolarHBondContact OD1-N 3.23Å; C974-C987 WeakPolarHBondContact CA-SG 3.44Å; C974-C987 HydrophobicContact CB-CB 3.9Å; C974-C987 WeakPolarHBondContact CB-SG 3.41Å; C974-C987 WeakPolarHBondContact SG-CB 3.01Å; C974-C987 CovalentContact SG-SG 2.04Å; C974-C987 PolarHBondContact SG-SG 3.01Å; C974-I988 PolarHBondContact SG-N 3.33Å; C974-D989 HydrophobicContact CB-CB 4.15Å; C974-D989 PolarHBondContact N-OD1 2.83Å; C974-D989 PolarHBondContact SG-N 3.35Å
975	I	66.3	Low	64.5	Low	134 Å²	134	70.1 Å²	70.1	69%	0.687	38%	0.382	S	S	*	.	H	α-helix	trans	-73.9	-45.7	173.7	-73.4	-178.1	0	0	0	110.4	D972 K977	D972-I975 HydrophobicContact CB-CB 4.43Å; D972-I975 WeakPolarHBondContact OD1-CB 3.43Å; D972-I975 WeakPolarHBondContact OD1-CG1 3.46Å; D972-I975 PolarHBondContact OD1-N 2.86Å; D972-I975 WeakPolarHBondContact OD2-CD1 3.3Å; D972-I975 VanDerWaalsContact OD2-CG1 3.26Å; D972-I975 WeakPolarHBondContact OD2-CG1 3.04Å; I975-K977 VanDerWaalsContact C-N 3.29Å; I975-K977 PolarHBondContact O-N 3.37Å
976	T	60.2	Low	64.8	Low	75 Å²	75	71.8 Å²	71.8	46%	0.46	40%	0.395	S	S	.	.	H	α-helix	trans	-76.2	-16.3	-177.8	56.2	0	0	0	0	113.6	D972 E973 S978	D972-T976 WeakPolarHBondContact O-CG2 3.5Å; D972-T976 PolarHBondContact O-N 3.38Å; D972-T976 PolarHBondContact O-OG1 2.82Å; E973-T976 WeakPolarHBondContact CA-OG1 2.96Å; T976-S978 VanDerWaalsContact C-N 3.33Å; T976-S978 PolarHBondContact OG1-OG 2.85Å
977	K	58.4	Low	65.3	Low	173 Å²	173	70.8 Å²	70.8	75%	0.752	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.9	21.5	-178.7	-57	-176.4	178.9	177.3	0	115.5	E973 I975 N979	E973-K977 WeakPolarHBondContact O-CA 3.47Å; E973-K977 PolarHBondContact O-N 3.5Å; I975-K977 VanDerWaalsContact C-N 3.29Å; I975-K977 PolarHBondContact O-N 3.37Å; K977-N979 WeakPolarHBondContact CA-ND2 3.4Å; K977-N979 PolarHBondContact O-N 2.57Å; K977-N979 VanDerWaalsContact O-N 3.1Å
978	S	60	Low	65.3	Low	73 Å²	73	74.2 Å²	74.2	51%	0.51	41%	0.406	S	S	.	.			trans	-81.1	42	167.4	48.2	0	0	0	0	112.2	E973 T976	E973-S978 PolarHBondContact O-N 3.05Å; T976-S978 VanDerWaalsContact C-N 3.33Å; T976-S978 PolarHBondContact OG1-OG 2.85Å
979	N	59.1	Low	65.2	Low	45 Å²	45	71.2 Å²	71.2	24%	0.241	40%	0.396	C	S	.	.			trans	-117.1	142.6	177.7	59.1	89.6	0	0	0	112.1	E973 K977 C987 Y994	E973-N979 PolarHBondContact O-ND2 3.39Å; K977-N979 WeakPolarHBondContact CA-ND2 3.4Å; K977-N979 PolarHBondContact O-N 2.57Å; K977-N979 VanDerWaalsContact O-N 3.1Å; N979-C987 PolarHBondContact ND2-SG 3.2Å; N979-Y994 HydrophobicContact CB-CD2 3.48Å; N979-Y994 VanDerWaalsContact CB-CD2 3.48Å; N979-Y994 HydrophobicContact CB-CE1 4.39Å; N979-Y994 HydrophobicContact CB-CE2 3.31Å; N979-Y994 HydrophobicContact CB-CG 4.12Å
980	D	73.4	Confident	65.1	Low	79 Å²	79	70.5 Å²	70.5	42%	0.422	39%	0.39	S	S	.	.			trans	-103.3	26.8	-178.4	69	-16.8	0	0	0	113.3	Y994 R1015	D980-Y994 PolarHBondContact N-OH 3.47Å; D980-Y994 PolarHBondContact OD1-OH 3.11Å; D980-Y994 VanDerWaalsContact OD1-OH 3.07Å; D980-R1015 VanDerWaalsContact CG-CD 3.46Å; D980-R1015 VanDerWaalsContact OD1-CD 3.27Å; D980-R1015 WeakPolarHBondContact OD1-CD 3.1Å; D980-R1015 IonicContact OD1-CZ 2.69Å; D980-R1015 IonicContact OD1-NE 2.62Å; D980-R1015 PolarHBondContact OD1-NE 3.49Å; D980-R1015 IonicContact OD1-NH1 2.68Å; D980-R1015 PolarHBondContact OD1-NH1 3.46Å; D980-R1015 IonicContact OD1-NH2 3.1Å; D980-R1015 VanDerWaalsContact OD2-CD 3.28Å; D980-R1015 WeakPolarHBondContact OD2-CD 3Å; D980-R1015 IonicContact OD2-CZ 3.55Å; D980-R1015 VanDerWaalsContact OD2-CZ 3.28Å; D980-R1015 IonicContact OD2-NE 3.41Å; D980-R1015 PolarHBondContact OD2-NE 2.88Å; D980-R1015 IonicContact OD2-NH1 3.24Å; D980-R1015 PolarHBondContact OD2-NH1 2.96Å
981	C	76	Confident	65	Low	25 Å²	25	71 Å²	71	17%	0.169	40%	0.404	C	S	.	.			trans	-57.9	142.6	174.4	-57	0	0	0	0	112.6	C996	C981-C996 WeakPolarHBondContact CA-SG 3.47Å; C981-C996 HydrophobicContact CB-CB 3.65Å; C981-C996 WeakPolarHBondContact CB-SG 3.47Å; C981-C996 WeakPolarHBondContact SG-CB 3.36Å; C981-C996 CovalentContact SG-SG 2.03Å; C981-C996 PolarHBondContact SG-SG 2.8Å
982	S	72.3	Confident	64.6	Low	28 Å²	28	68.9 Å²	68.9	20%	0.196	40%	0.4	C	S	.	.			trans	-58.3	146.6	171.4	-159.5	0	0	0	0	110.9	N984 A985 G1014 R1015	S982-N984 PolarHBondContact O-N 2.76Å; S982-A985 WeakPolarHBondContact O-CA 3.23Å; S982-A985 WeakPolarHBondContact O-CB 3.07Å; S982-A985 PolarHBondContact O-N 2.9Å; S982-G1014 WeakPolarHBondContact CA-O 3.47Å; S982-G1014 WeakPolarHBondContact CB-O 2.94Å; S982-G1014 PolarHBondContact N-O 2.72Å; S982-R1015 VanDerWaalsContact CB-O 3.31Å; S982-R1015 WeakPolarHBondContact CB-O 3.3Å
983	A	74	Confident	64.9	Low	91 Å²	91	71.4 Å²	71.4	75%	0.752	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.6	-23.5	172.2	0	0	0	0	0	112.9	K999	A983-K999 PolarHBondContact O-NZ 2.84Å
984	N	73.2	Confident	65	Low	66 Å²	66	71.1 Å²	71.1	35%	0.353	41%	0.407	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.5	8.1	174.4	-69.3	-28.3	0	0	0	114	S982 K999 C1017	S982-N984 PolarHBondContact O-N 2.76Å; N984-K999 VanDerWaalsContact O-CB 3.23Å; N984-K999 WeakPolarHBondContact O-CB 3.43Å; N984-K999 WeakPolarHBondContact O-CD 3.4Å; N984-K999 WeakPolarHBondContact O-CG 3.33Å; N984-K999 PolarHBondContact O-N 3.43Å; N984-C1017 HydrophobicContact CB-CB 3.88Å
985	A	68.4	Low	64.8	Low	7 Å²	7	71.7 Å²	71.7	6%	0.058	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	168.6	173.4	0	0	0	0	0	112.4	S982 A997 K999 G1014	S982-A985 WeakPolarHBondContact O-CA 3.23Å; S982-A985 WeakPolarHBondContact O-CB 3.07Å; S982-A985 PolarHBondContact O-N 2.9Å; A985-A997 CarbonylContact C-O 3.47Å; A985-A997 WeakPolarHBondContact CA-O 3.28Å; A985-A997 WeakPolarHBondContact CB-O 3.48Å; A985-K999 VanDerWaalsContact C-CE 3.49Å; A985-K999 WeakPolarHBondContact O-CE 3.05Å; A985-K999 PolarHBondContact O-NZ 3.03Å; A985-G1014 WeakPolarHBondContact CB-O 3.39Å
986	N	77.6	Confident	65.3	Low	89 Å²	89	65.6 Å²	65.6	48%	0.476	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	138.5	167.8	-65.9	-17.3	0	0	0	108.9	C996 A997 K999	N986-C996 CarbonylContact O-C 3.41Å; N986-C996 WeakPolarHBondContact O-CA 3.26Å; N986-A997 PolarHBondContact N-O 2.99Å; N986-A997 PolarHBondContact O-N 2.8Å; N986-K999 WeakPolarHBondContact OD1-CE 3.4Å
987	C	77.8	Confident	66	Low	36 Å²	36	64 Å²	64	24%	0.243	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	138.5	162	-166.8	0	0	0	0	109	C974 N979 T995	C974-C987 WeakPolarHBondContact CA-SG 3.44Å; C974-C987 HydrophobicContact CB-CB 3.9Å; C974-C987 WeakPolarHBondContact CB-SG 3.41Å; C974-C987 WeakPolarHBondContact SG-CB 3.01Å; C974-C987 CovalentContact SG-SG 2.04Å; C974-C987 PolarHBondContact SG-SG 3.01Å; N979-C987 PolarHBondContact ND2-SG 3.2Å; C987-T995 CarbonylContact C-O 3.58Å; C987-T995 WeakPolarHBondContact CA-O 2.97Å
988	I	69.8	Low	66.7	Low	85 Å²	85	57.1 Å²	57.1	44%	0.436	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	122.3	172.8	-57.1	176.8	0	0	0	106.4	C974 T995 A997	C974-I988 PolarHBondContact SG-N 3.33Å; I988-T995 PolarHBondContact N-O 3.24Å; I988-T995 PolarHBondContact O-N 3.39Å; I988-T995 PolarHBondContact O-OG1 2.74Å; I988-A997 HydrophobicContact CD1-CB 4.21Å
989	D	59.4	Low	67	Low	59 Å²	59	57.6 Å²	57.6	32%	0.316	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	136.5	179.6	-145.8	67.6	0	0	0	109.3	D972 E973 C974	D972-D989 WeakPolarHBondContact CA-OD1 3.4Å; D972-D989 VanDerWaalsContact CA-OD2 3.28Å; D972-D989 WeakPolarHBondContact CA-OD2 3.47Å; D972-D989 WeakPolarHBondContact CB-OD2 3.5Å; D972-D989 VanDerWaalsContact CG-OD2 3.27Å; E973-D989 PolarHBondContact N-OD1 3.1Å; C974-D989 HydrophobicContact CB-CB 4.15Å; C974-D989 PolarHBondContact N-OD1 2.83Å; C974-D989 PolarHBondContact SG-N 3.35Å
990	T	53.3	Low	67.3	Low	64 Å²	64	66 Å²	66	39%	0.393	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	154.8	-179	19	0	0	0	0	109.3	D992 H993	T990-D992 PolarHBondContact O-N 2.86Å; T990-H993 CarbonylContact C-O 3.53Å; T990-H993 WeakPolarHBondContact CA-O 3.45Å; T990-H993 VanDerWaalsContact CB-O 3.3Å; T990-H993 WeakPolarHBondContact CB-O 3.23Å; T990-H993 PolarHBondContact N-O 2.79Å; T990-H993 CarbonylContact O-C 3.44Å; T990-H993 PolarHBondContact O-N 3.32Å; T990-H993 VanDerWaalsContact O-N 3.1Å; T990-H993 PolarHBondContact OG1-O 2.79Å
991	A	46.9	Very low	66.5	Low	78 Å²	78	65 Å²	65	65%	0.645	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.2	-34.7	-160.2	0	0	0	0	0	114.6	L970	L970-A991 WeakPolarHBondContact CD1-O 3.2Å; L970-A991 VanDerWaalsContact CD2-O 3.31Å; L970-A991 WeakPolarHBondContact CD2-O 3.4Å
992	D	42.9	Very low	65.8	Low	105 Å²	105	69.3 Å²	69.3	56%	0.561	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.2	-6	-176.5	-57	-74	0	0	0	114.8	T990	T990-D992 PolarHBondContact O-N 2.86Å
993	H	60.7	Low	65.4	Low	106 Å²	106	71.9 Å²	71.9	49%	0.491	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	179.3	162.2	173.4	59.4	91.5	0	0	0	111.5	T990	T990-H993 CarbonylContact C-O 3.53Å; T990-H993 WeakPolarHBondContact CA-O 3.45Å; T990-H993 VanDerWaalsContact CB-O 3.3Å; T990-H993 WeakPolarHBondContact CB-O 3.23Å; T990-H993 PolarHBondContact N-O 2.79Å; T990-H993 CarbonylContact O-C 3.44Å; T990-H993 PolarHBondContact O-N 3.32Å; T990-H993 VanDerWaalsContact O-N 3.1Å; T990-H993 PolarHBondContact OG1-O 2.79Å
994	Y	65.2	Low	64.8	Low	43 Å²	43	69 Å²	69	17%	0.169	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	156.9	165	74	-78.3	0	0	0	115.3	E973 N979 D980	E973-Y994 HydrophobicContact CB-CD1 3.38Å; E973-Y994 HydrophobicContact CB-CE1 3.94Å; E973-Y994 HydrophobicContact CB-CG 3.88Å; E973-Y994 HydrophobicContact CG-CD1 3.64Å; E973-Y994 HydrophobicContact CG-CE1 4.02Å; E973-Y994 WeakPolarHBondContact OE2-CD1 2.99Å; E973-Y994 PolarHBondContact OE2-N 3.09Å; E973-Y994 VanDerWaalsContact OE2-N 3.14Å; N979-Y994 HydrophobicContact CB-CD2 3.48Å; N979-Y994 VanDerWaalsContact CB-CD2 3.48Å; N979-Y994 HydrophobicContact CB-CE1 4.39Å; N979-Y994 HydrophobicContact CB-CE2 3.31Å; N979-Y994 HydrophobicContact CB-CG 4.12Å; D980-Y994 PolarHBondContact N-OH 3.47Å; D980-Y994 PolarHBondContact OD1-OH 3.11Å; D980-Y994 VanDerWaalsContact OD1-OH 3.07Å
995	T	66.3	Low	64.6	Low	45 Å²	45	67.4 Å²	67.4	28%	0.276	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	161.3	170.3	56.7	0	0	0	0	111.7	C987 I988	C987-T995 CarbonylContact C-O 3.58Å; C987-T995 WeakPolarHBondContact CA-O 2.97Å; I988-T995 PolarHBondContact N-O 3.24Å; I988-T995 PolarHBondContact O-N 3.39Å; I988-T995 PolarHBondContact O-OG1 2.74Å
996	C	76.3	Confident	64.6	Low	5 Å²	5	67.4 Å²	67.4	3%	0.034	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	133.7	-179.8	-54	0	0	0	0	110.9	C981 N986 P1013 G1014	C981-C996 WeakPolarHBondContact CA-SG 3.47Å; C981-C996 HydrophobicContact CB-CB 3.65Å; C981-C996 WeakPolarHBondContact CB-SG 3.47Å; C981-C996 WeakPolarHBondContact SG-CB 3.36Å; C981-C996 CovalentContact SG-SG 2.03Å; C981-C996 PolarHBondContact SG-SG 2.8Å; N986-C996 CarbonylContact O-C 3.41Å; N986-C996 WeakPolarHBondContact O-CA 3.26Å; C996-P1013 WeakPolarHBondContact CB-O 3.34Å; C996-P1013 CarbonylContact O-C 3.31Å; C996-P1013 VanDerWaalsContact O-C 3.22Å; C996-P1013 WeakPolarHBondContact O-CB 3.48Å; C996-G1014 WeakPolarHBondContact O-CA 3.46Å; C996-G1014 PolarHBondContact O-N 3.42Å
997	A	75.2	Confident	64.1	Low	42 Å²	42	70.7 Å²	70.7	35%	0.347	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	121	-177.4	0	0	0	0	0	113	A985 N986 I988	A985-A997 CarbonylContact C-O 3.47Å; A985-A997 WeakPolarHBondContact CA-O 3.28Å; A985-A997 WeakPolarHBondContact CB-O 3.48Å; N986-A997 PolarHBondContact N-O 2.99Å; N986-A997 PolarHBondContact O-N 2.8Å; I988-A997 HydrophobicContact CD1-CB 4.21Å
998	C	73.2	Confident	63.2	Low	28 Å²	28	71.4 Å²	71.4	19%	0.189	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.3	137.7	179	-73.2	0	0	0	0	113.2	D1004 C1017	C998-D1004 VanDerWaalsContact SG-CG 3.59Å; C998-D1004 PolarHBondContact SG-OD2 3.28Å; C998-C1017 VanDerWaalsContact CA-SG 3.6Å; C998-C1017 HydrophobicContact CB-CB 3.95Å; C998-C1017 WeakPolarHBondContact CB-SG 3.44Å; C998-C1017 WeakPolarHBondContact SG-CB 3.25Å; C998-C1017 CovalentContact SG-SG 2.04Å; C998-C1017 PolarHBondContact SG-SG 2.71Å
999	K	67.2	Low	62.5	Low	83 Å²	83	70 Å²	70	36%	0.361	39%	0.389	S	S	.	.	P	Polyproline II helix	trans	-69.4	136.2	-177.7	-70.8	160.5	-172.1	148.5	0	111	A983 N984 A985 N986 G1001 Y1002	A983-K999 PolarHBondContact O-NZ 2.84Å; N984-K999 VanDerWaalsContact O-CB 3.23Å; N984-K999 WeakPolarHBondContact O-CB 3.43Å; N984-K999 WeakPolarHBondContact O-CD 3.4Å; N984-K999 WeakPolarHBondContact O-CG 3.33Å; N984-K999 PolarHBondContact O-N 3.43Å; A985-K999 VanDerWaalsContact C-CE 3.49Å; A985-K999 WeakPolarHBondContact O-CE 3.05Å; A985-K999 PolarHBondContact O-NZ 3.03Å; N986-K999 WeakPolarHBondContact OD1-CE 3.4Å; K999-G1001 PolarHBondContact O-N 3.41Å; K999-Y1002 PolarHBondContact O-N 2.71Å; K999-Y1002 VanDerWaalsContact O-N 3.09Å
1000	K	63.4	Low	62.3	Low	223 Å²	223	72.8 Å²	72.8	97%	0.97	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.2	120.7	-171.2	-157.1	163.5	-168.8	161.1	0	112.6
1001	G	57.8	Low	62.6	Low	57 Å²	57	75.8 Å²	75.8	59%	0.588	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	111.4	-4.3	-171.3	0	0	0	0	0	114.2	K999	K999-G1001 PolarHBondContact O-N 3.41Å
1002	Y	61.3	Low	63.6	Low	116 Å²	116	75.2 Å²	75.2	46%	0.455	41%	0.407	S	S	.	.			trans	-117.9	142.6	170.5	-67.7	-102.6	0	0	0	109.9	K999 C1017 I1018 R1019	K999-Y1002 PolarHBondContact O-N 2.71Å; K999-Y1002 VanDerWaalsContact O-N 3.09Å; Y1002-C1017 HydrophobicContact CD1-CB 4.43Å; Y1002-I1018 CarbonylContact C-O 3.59Å; Y1002-I1018 WeakPolarHBondContact CA-O 3.41Å; Y1002-I1018 WeakPolarHBondContact CB-O 2.97Å; Y1002-I1018 VanDerWaalsContact CD1-O 3.28Å; Y1002-I1018 WeakPolarHBondContact CD1-O 3.22Å; Y1002-R1019 HydrophobicContact CD1-CB 4.49Å
1003	R	64.3	Low	64.7	Low	81 Å²	81	72.1 Å²	72.1	31%	0.306	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	147.7	168.6	153.8	176.3	176.4	173.1	16.3	108.8	C1017 I1018 L1020 D1043	R1003-C1017 CarbonylContact O-C 3.49Å; R1003-C1017 VanDerWaalsContact O-CA 3.31Å; R1003-C1017 WeakPolarHBondContact O-CA 3.49Å; R1003-I1018 HydrophobicContact CB-CG1 4.08Å; R1003-I1018 HydrophobicContact CG-CD1 4.35Å; R1003-I1018 HydrophobicContact CG-CG1 3.95Å; R1003-I1018 PolarHBondContact N-O 2.79Å; R1003-I1018 PolarHBondContact O-N 2.85Å; R1003-L1020 HydrophobicContact CB-CG 4.49Å; R1003-L1020 HydrophobicContact CG-CD1 4.48Å; R1003-D1043 WeakPolarHBondContact CD-OD1 3.29Å; R1003-D1043 VanDerWaalsContact CZ-CG 3.41Å; R1003-D1043 IonicContact CZ-OD1 2.69Å; R1003-D1043 IonicContact CZ-OD2 3.45Å; R1003-D1043 IonicContact NE-OD1 2.86Å; R1003-D1043 PolarHBondContact NE-OD1 2.93Å; R1003-D1043 IonicContact NH1-OD1 3.9Å; R1003-D1043 PolarHBondContact NH1-OD1 3.39Å; R1003-D1043 IonicContact NH1-OD2 3.21Å; R1003-D1043 PolarHBondContact NH1-OD2 3.05Å; R1003-D1043 IonicContact NH2-OD1 2.91Å; R1003-D1043 IonicContact NH2-OD2 2.72Å; R1003-D1043 PolarHBondContact NH2-OD2 2.83Å
1004	D	61.5	Low	65.2	Low	30 Å²	30	67 Å²	67	16%	0.16	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	128.1	165.1	-137	-59.3	0	0	0	112.6	C998 S1006 P1009 G1014	C998-D1004 VanDerWaalsContact SG-CG 3.59Å; C998-D1004 PolarHBondContact SG-OD2 3.28Å; D1004-S1006 WeakPolarHBondContact OD1-CB 3.04Å; D1004-S1006 PolarHBondContact OD1-N 2.98Å; D1004-S1006 PolarHBondContact OD1-OG 2.93Å; D1004-P1009 HydrophobicContact CB-CB 4.22Å; D1004-G1014 VanDerWaalsContact CG-N 3.33Å; D1004-G1014 PolarHBondContact OD1-N 2.97Å; D1004-G1014 WeakPolarHBondContact OD2-CA 3.37Å; D1004-G1014 PolarHBondContact OD2-N 2.97Å
1005	A	69.4	Low	65.7	Low	33 Å²	33	69.4 Å²	69.4	27%	0.273	38%	0.378	S	S	.	.			trans	-141.8	37.9	172.8	0	0	0	0	0	110.1	T1016 I1018	A1005-T1016 CarbonylContact C-O 3.22Å; A1005-T1016 PolarHBondContact N-O 3.34Å; A1005-T1016 WeakPolarHBondContact O-CB 3.1Å; A1005-T1016 WeakPolarHBondContact O-CG2 3.34Å; A1005-I1018 HydrophobicContact CB-CB 4.35Å; A1005-I1018 HydrophobicContact CB-CD1 3.58Å; A1005-I1018 HydrophobicContact CB-CG1 3.61Å; A1005-I1018 HydrophobicContact CB-CG2 3.94Å
1006	S	67.1	Low	65.9	Low	7 Å²	7	70.7 Å²	70.7	5%	0.049	39%	0.386	C	S	.	.	S	Bend	trans	-54.6	153.7	155.1	-49.8	0	0	0	0	109.1	D1004 D1008 P1009 I1012 G1014 R1015 T1016	D1004-S1006 WeakPolarHBondContact OD1-CB 3.04Å; D1004-S1006 PolarHBondContact OD1-N 2.98Å; D1004-S1006 PolarHBondContact OD1-OG 2.93Å; S1006-D1008 PolarHBondContact O-N 2.66Å; S1006-P1009 WeakPolarHBondContact O-CD 3.44Å; S1006-P1009 WeakPolarHBondContact O-CG 3.47Å; S1006-I1012 WeakPolarHBondContact CB-O 3.17Å; S1006-I1012 PolarHBondContact OG-O 2.92Å; S1006-G1014 PolarHBondContact OG-N 3.41Å; S1006-R1015 PolarHBondContact OG-N 3.05Å; S1006-T1016 PolarHBondContact N-O 3.28Å; S1006-T1016 VanDerWaalsContact N-O 3.1Å; S1006-T1016 PolarHBondContact OG-N 3.16Å
1007	V	67.9	Low	65.5	Low	159 Å²	159	71.1 Å²	71.1	96%	0.964	39%	0.389	S	S	*	.	S	Bend	trans	-58.8	-34.6	-175.2	-179.2	0	0	0	0	111.2
1008	D	59.2	Low	64.9	Low	51 Å²	51	72.5 Å²	72.5	27%	0.273	39%	0.39	S	S	.	.	S	Bend	trans	-120.6	104.6	162	-175.3	-30.5	0	0	0	108.6	S1006 V1010 N1011 I1012	S1006-D1008 PolarHBondContact O-N 2.66Å; D1008-V1010 PolarHBondContact O-N 2.97Å; D1008-V1010 WeakPolarHBondContact OD1-CA 3.35Å; D1008-V1010 WeakPolarHBondContact OD1-CB 2.91Å; D1008-V1010 PolarHBondContact OD1-N 2.87Å; D1008-N1011 PolarHBondContact OD1-N 2.93Å; D1008-N1011 WeakPolarHBondContact OD2-CB 3.06Å; D1008-N1011 PolarHBondContact OD2-ND2 2.84Å; D1008-I1012 HydrophobicContact CB-CB 4.27Å; D1008-I1012 HydrophobicContact CB-CD1 4.26Å; D1008-I1012 HydrophobicContact CB-CG1 4.05Å; D1008-I1012 CarbonylContact O-C 3.16Å; D1008-I1012 VanDerWaalsContact O-CA 3.26Å; D1008-I1012 WeakPolarHBondContact O-CA 3.19Å; D1008-I1012 WeakPolarHBondContact O-CB 3.5Å; D1008-I1012 PolarHBondContact O-N 3.4Å; D1008-I1012 VanDerWaalsContact O-N 3.08Å; D1008-I1012 VanDerWaalsContact O-O 3.08Å
1009	P	54.4	Low	64.2	Low	54 Å²	54	80.1 Å²	80.1	35%	0.351	41%	0.414	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-7.4	178.5	-21.6	34.6	0	0	0	115.4	D1004 S1006	D1004-P1009 HydrophobicContact CB-CB 4.22Å; S1006-P1009 WeakPolarHBondContact O-CD 3.44Å; S1006-P1009 WeakPolarHBondContact O-CG 3.47Å
1010	V	55.6	Low	63.4	Low	119 Å²	119	79.7 Å²	79.7	72%	0.721	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.7	-52.6	-170.7	-178.6	0	0	0	0	110.2	D1008	D1008-V1010 PolarHBondContact O-N 2.97Å; D1008-V1010 WeakPolarHBondContact OD1-CA 3.35Å; D1008-V1010 WeakPolarHBondContact OD1-CB 2.91Å; D1008-V1010 PolarHBondContact OD1-N 2.87Å
1011	N	58.8	Low	63	Low	126 Å²	126	74.7 Å²	74.7	67%	0.674	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.9	-21.5	178.4	-55.4	-54.3	0	0	0	112.3	D1008	D1008-N1011 PolarHBondContact OD1-N 2.93Å; D1008-N1011 WeakPolarHBondContact OD2-CB 3.06Å; D1008-N1011 PolarHBondContact OD2-ND2 2.84Å
1012	I	68.4	Low	62.8	Low	67 Å²	67	74.6 Å²	74.6	34%	0.344	38%	0.384	S	S	.	.	S	Bend	trans	-129.5	50.1	-178.1	-42.8	-178.2	0	0	0	111.1	S1006 D1008 R1015	S1006-I1012 WeakPolarHBondContact CB-O 3.17Å; S1006-I1012 PolarHBondContact OG-O 2.92Å; D1008-I1012 HydrophobicContact CB-CB 4.27Å; D1008-I1012 HydrophobicContact CB-CD1 4.26Å; D1008-I1012 HydrophobicContact CB-CG1 4.05Å; D1008-I1012 CarbonylContact O-C 3.16Å; D1008-I1012 VanDerWaalsContact O-CA 3.26Å; D1008-I1012 WeakPolarHBondContact O-CA 3.19Å; D1008-I1012 WeakPolarHBondContact O-CB 3.5Å; D1008-I1012 PolarHBondContact O-N 3.4Å; D1008-I1012 VanDerWaalsContact O-N 3.08Å; D1008-I1012 VanDerWaalsContact O-O 3.08Å; I1012-R1015 HydrophobicContact CG2-CG 3.96Å
1013	P	65.8	Low	63	Low	39 Å²	39	71.4 Å²	71.4	25%	0.253	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.1	159.5	-178.1	29.4	-36.8	0	0	0	111.8	C996 R1015	C996-P1013 WeakPolarHBondContact CB-O 3.34Å; C996-P1013 CarbonylContact O-C 3.31Å; C996-P1013 VanDerWaalsContact O-C 3.22Å; C996-P1013 WeakPolarHBondContact O-CB 3.48Å; P1013-R1015 VanDerWaalsContact C-N 3.28Å; P1013-R1015 PolarHBondContact O-N 2.77Å
1014	G	70.6	Confident	63.1	Low	0 Å²	0	69 Å²	69	0%	0	37%	0.369	C	S	.	.	T	Hydrogen-bonded Turn	trans	73.9	3.2	166.8	0	0	0	0	0	116.2	S982 A985 C996 D1004 S1006	S982-G1014 WeakPolarHBondContact CA-O 3.47Å; S982-G1014 WeakPolarHBondContact CB-O 2.94Å; S982-G1014 PolarHBondContact N-O 2.72Å; A985-G1014 WeakPolarHBondContact CB-O 3.39Å; C996-G1014 WeakPolarHBondContact O-CA 3.46Å; C996-G1014 PolarHBondContact O-N 3.42Å; D1004-G1014 VanDerWaalsContact CG-N 3.33Å; D1004-G1014 PolarHBondContact OD1-N 2.97Å; D1004-G1014 WeakPolarHBondContact OD2-CA 3.37Å; D1004-G1014 PolarHBondContact OD2-N 2.97Å; S1006-G1014 PolarHBondContact OG-N 3.41Å
1015	R	76.4	Confident	63.3	Low	93 Å²	93	74.6 Å²	74.6	35%	0.351	40%	0.399	S	S	.	.	S	Bend	trans	-87.6	-24.4	180	-54.7	-161.4	-167.4	172.6	5.7	113	D980 S982 S1006 I1012 P1013	D980-R1015 VanDerWaalsContact CG-CD 3.46Å; D980-R1015 VanDerWaalsContact OD1-CD 3.27Å; D980-R1015 WeakPolarHBondContact OD1-CD 3.1Å; D980-R1015 IonicContact OD1-CZ 2.69Å; D980-R1015 IonicContact OD1-NE 2.62Å; D980-R1015 PolarHBondContact OD1-NE 3.49Å; D980-R1015 IonicContact OD1-NH1 2.68Å; D980-R1015 PolarHBondContact OD1-NH1 3.46Å; D980-R1015 IonicContact OD1-NH2 3.1Å; D980-R1015 VanDerWaalsContact OD2-CD 3.28Å; D980-R1015 WeakPolarHBondContact OD2-CD 3Å; D980-R1015 IonicContact OD2-CZ 3.55Å; D980-R1015 VanDerWaalsContact OD2-CZ 3.28Å; D980-R1015 IonicContact OD2-NE 3.41Å; D980-R1015 PolarHBondContact OD2-NE 2.88Å; D980-R1015 IonicContact OD2-NH1 3.24Å; D980-R1015 PolarHBondContact OD2-NH1 2.96Å; S982-R1015 VanDerWaalsContact CB-O 3.31Å; S982-R1015 WeakPolarHBondContact CB-O 3.3Å; S1006-R1015 PolarHBondContact OG-N 3.05Å; I1012-R1015 HydrophobicContact CG2-CG 3.96Å; P1013-R1015 VanDerWaalsContact C-N 3.28Å; P1013-R1015 PolarHBondContact O-N 2.77Å
1016	T	70.4	Confident	63	Low	71 Å²	71	78.4 Å²	78.4	44%	0.436	41%	0.411	S	S	.	.	S	Bend	trans	-139	128.3	166.3	-71.1	0	0	0	0	112	A1005 S1006	A1005-T1016 CarbonylContact C-O 3.22Å; A1005-T1016 PolarHBondContact N-O 3.34Å; A1005-T1016 WeakPolarHBondContact O-CB 3.1Å; A1005-T1016 WeakPolarHBondContact O-CG2 3.34Å; S1006-T1016 PolarHBondContact N-O 3.28Å; S1006-T1016 VanDerWaalsContact N-O 3.1Å; S1006-T1016 PolarHBondContact OG-N 3.16Å
1017	C	67.4	Low	62.5	Low	15 Å²	15	89 Å²	89	10%	0.101	45%	0.45	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	120.3	-177.2	-51.3	0	0	0	0	112.7	N984 C998 Y1002 R1003	N984-C1017 HydrophobicContact CB-CB 3.88Å; C998-C1017 VanDerWaalsContact CA-SG 3.6Å; C998-C1017 HydrophobicContact CB-CB 3.95Å; C998-C1017 WeakPolarHBondContact CB-SG 3.44Å; C998-C1017 WeakPolarHBondContact SG-CB 3.25Å; C998-C1017 CovalentContact SG-SG 2.04Å; C998-C1017 PolarHBondContact SG-SG 2.71Å; Y1002-C1017 HydrophobicContact CD1-CB 4.43Å; R1003-C1017 CarbonylContact O-C 3.49Å; R1003-C1017 VanDerWaalsContact O-CA 3.31Å; R1003-C1017 WeakPolarHBondContact O-CA 3.49Å
1018	I	63.8	Low	62.1	Low	71 Å²	71	90.7 Å²	90.7	36%	0.364	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	-164.5	175.3	64.1	170.9	0	0	0	111.3	Y1002 R1003 A1005	Y1002-I1018 CarbonylContact C-O 3.59Å; Y1002-I1018 WeakPolarHBondContact CA-O 3.41Å; Y1002-I1018 WeakPolarHBondContact CB-O 2.97Å; Y1002-I1018 VanDerWaalsContact CD1-O 3.28Å; Y1002-I1018 WeakPolarHBondContact CD1-O 3.22Å; R1003-I1018 HydrophobicContact CB-CG1 4.08Å; R1003-I1018 HydrophobicContact CG-CD1 4.35Å; R1003-I1018 HydrophobicContact CG-CG1 3.95Å; R1003-I1018 PolarHBondContact N-O 2.79Å; R1003-I1018 PolarHBondContact O-N 2.85Å; A1005-I1018 HydrophobicContact CB-CB 4.35Å; A1005-I1018 HydrophobicContact CB-CD1 3.58Å; A1005-I1018 HydrophobicContact CB-CG1 3.61Å; A1005-I1018 HydrophobicContact CB-CG2 3.94Å
1019	R	56.6	Low	62.2	Low	187 Å²	187	92.4 Å²	92.4	71%	0.706	46%	0.456	S	S	*	.			trans	-149	134.8	-179.3	170.7	-173.5	154.5	-165.1	-8.3	110.8	Y1002	Y1002-R1019 HydrophobicContact CD1-CB 4.49Å
1020	L	52.1	Low	62.2	Low	74 Å²	74	91 Å²	91	39%	0.387	45%	0.445	S	S	.	.			trans	-116.6	-179.6	-177	-70.2	-175.3	0	0	0	115.3	R1003 L1042	R1003-L1020 HydrophobicContact CB-CG 4.49Å; R1003-L1020 HydrophobicContact CG-CD1 4.48Å; L1020-L1042 WeakPolarHBondContact CD1-O 3.47Å
1021	I	54.2	Low	62.8	Low	118 Å²	118	89 Å²	89	61%	0.605	43%	0.43	S	S	*	.			trans	-135.9	-179.4	-156.7	-65.5	175	0	0	0	108.2
1022	N	54.5	Low	63.3	Low	55 Å²	55	84.3 Å²	84.3	29%	0.294	41%	0.407	S	S	.	.			trans	-119	125	175.9	169.8	-67.8	0	0	0	108.7	C1024 D1025 D1040	N1022-C1024 PolarHBondContact OD1-N 3.18Å; N1022-D1025 WeakPolarHBondContact OD1-CB 3.18Å; N1022-D1025 PolarHBondContact OD1-N 2.9Å; N1022-D1040 WeakPolarHBondContact CA-OD2 3.45Å; N1022-D1040 WeakPolarHBondContact CB-OD2 3.3Å; N1022-D1040 PolarHBondContact ND2-OD1 2.04Å; N1022-D1040 PolarHBondContact ND2-OD2 2.73Å
1023	E	65.1	Low	63.4	Low	49 Å²	49	81.7 Å²	81.7	23%	0.229	40%	0.395	C	S	.	.	S	Bend	trans	-98.4	-16.8	-176.8	-78	62.8	-134.9	0	0	112.4	D1025 Q1026 N1030 D1040 Y1045	E1023-D1025 PolarHBondContact O-N 2.93Å; E1023-Q1026 PolarHBondContact O-N 2.85Å; E1023-N1030 PolarHBondContact O-ND2 2.99Å; E1023-D1040 PolarHBondContact N-OD1 2.85Å; E1023-Y1045 HydrophobicContact CB-CD1 3.75Å; E1023-Y1045 HydrophobicContact CB-CG 4.47Å; E1023-Y1045 HydrophobicContact CG-CD1 4.44Å
1024	C	66.3	Low	63.8	Low	31 Å²	31	85.4 Å²	85.4	21%	0.209	42%	0.419	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-32.9	-179.5	-69	0	0	0	0	114	N1022 Q1026 N1030 C1038 T1039 D1040	N1022-C1024 PolarHBondContact OD1-N 3.18Å; C1024-Q1026 PolarHBondContact O-N 2.88Å; C1024-Q1026 VanDerWaalsContact O-N 3.12Å; C1024-N1030 PolarHBondContact O-ND2 3.04Å; C1024-C1038 PolarHBondContact SG-SG 3.14Å; C1024-T1039 PolarHBondContact SG-O 3.27Å; C1024-T1039 VanDerWaalsContact SG-O 3.41Å; C1024-D1040 HydrophobicContact CB-CB 4.03Å; C1024-D1040 WeakPolarHBondContact CB-OD1 3.14Å; C1024-D1040 PolarHBondContact N-OD1 3.46Å; C1024-D1040 VanDerWaalsContact N-OD1 3.09Å; C1024-D1040 WeakPolarHBondContact SG-CA 3.41Å; C1024-D1040 WeakPolarHBondContact SG-CB 3.22Å; C1024-D1040 PolarHBondContact SG-N 3.48Å; C1024-D1040 PolarHBondContact SG-OD1 3.3Å
1025	D	64.9	Low	63.6	Low	148 Å²	148	88 Å²	88	79%	0.791	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.1	-7.9	178.6	-88.2	-16.3	0	0	0	113.7	N1022 E1023	N1022-D1025 WeakPolarHBondContact OD1-CB 3.18Å; N1022-D1025 PolarHBondContact OD1-N 2.9Å; E1023-D1025 PolarHBondContact O-N 2.93Å
1026	Q	63.3	Low	62.9	Low	112 Å²	112	84 Å²	84	52%	0.523	42%	0.42	S	S	.	.			trans	-128.5	102.2	-176.4	-66.1	-172.9	65.1	0	0	113.6	E1023 C1024 E1028 L1029 N1030	E1023-Q1026 PolarHBondContact O-N 2.85Å; C1024-Q1026 PolarHBondContact O-N 2.88Å; C1024-Q1026 VanDerWaalsContact O-N 3.12Å; Q1026-E1028 PolarHBondContact O-N 2.8Å; Q1026-L1029 HydrophobicContact CB-CB 4.41Å; Q1026-L1029 HydrophobicContact CB-CD1 4.06Å; Q1026-L1029 HydrophobicContact CB-CG 4.3Å; Q1026-L1029 PolarHBondContact O-N 2.69Å; Q1026-N1030 PolarHBondContact O-N 2.87Å; Q1026-N1030 PolarHBondContact O-ND2 3.5Å; Q1026-N1030 VanDerWaalsContact O-ND2 3.11Å
1027	R	55.9	Low	63.1	Low	230 Å²	230	86.7 Å²	86.7	87%	0.868	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.8	-1.3	177.8	-91.4	-171.3	176.3	-166.7	-1.5	117.9
1028	E	61	Low	63.5	Low	194 Å²	194	88 Å²	88	91%	0.907	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.4	-7.6	174.7	-64.7	-179.4	-174.5	0	0	111.8	Q1026	Q1026-E1028 PolarHBondContact O-N 2.8Å
1029	L	61	Low	63.7	Low	88 Å²	88	87.9 Å²	87.9	46%	0.461	43%	0.434	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.3	-18.7	174.6	-63.7	175.6	0	0	0	112.6	Q1026 Y1045	Q1026-L1029 HydrophobicContact CB-CB 4.41Å; Q1026-L1029 HydrophobicContact CB-CD1 4.06Å; Q1026-L1029 HydrophobicContact CB-CG 4.3Å; Q1026-L1029 PolarHBondContact O-N 2.69Å; L1029-Y1045 WeakPolarHBondContact O-CE1 3.45Å; L1029-Y1045 VanDerWaalsContact O-CZ 3.3Å; L1029-Y1045 PolarHBondContact O-OH 2.93Å
1030	N	53.2	Low	63.9	Low	23 Å²	23	81.9 Å²	81.9	12%	0.123	42%	0.416	C	S	.	.			trans	-110.7	141.1	169.2	58.8	79.5	0	0	0	113.4	E1023 C1024 Q1026 Y1045	E1023-N1030 PolarHBondContact O-ND2 2.99Å; C1024-N1030 PolarHBondContact O-ND2 3.04Å; Q1026-N1030 PolarHBondContact O-N 2.87Å; Q1026-N1030 PolarHBondContact O-ND2 3.5Å; Q1026-N1030 VanDerWaalsContact O-ND2 3.11Å; N1030-Y1045 HydrophobicContact CB-CD1 4.21Å; N1030-Y1045 HydrophobicContact CB-CD2 3.52Å; N1030-Y1045 HydrophobicContact CB-CE1 4.25Å; N1030-Y1045 HydrophobicContact CB-CE2 3.58Å; N1030-Y1045 HydrophobicContact CB-CG 3.86Å
1031	D	69.9	Low	64	Low	77 Å²	77	81.6 Å²	81.6	41%	0.412	42%	0.417	S	S	.	.			trans	-114.1	26.4	-173.6	72.5	-24.3	0	0	0	114.3	Y1045 R1066	D1031-Y1045 PolarHBondContact OD1-OH 3.29Å; D1031-R1066 VanDerWaalsContact CG-CZ 3.46Å; D1031-R1066 VanDerWaalsContact CG-NH1 3.35Å; D1031-R1066 IonicContact OD1-CZ 2.66Å; D1031-R1066 IonicContact OD1-NE 3.17Å; D1031-R1066 PolarHBondContact OD1-NE 3.12Å; D1031-R1066 IonicContact OD1-NH1 2.65Å; D1031-R1066 PolarHBondContact OD1-NH1 3.37Å; D1031-R1066 IonicContact OD1-NH2 2.63Å; D1031-R1066 PolarHBondContact OD1-NH2 3.11Å; D1031-R1066 WeakPolarHBondContact OD2-CD 3.2Å; D1031-R1066 IonicContact OD2-CZ 3.7Å; D1031-R1066 IonicContact OD2-NE 3.46Å; D1031-R1066 PolarHBondContact OD2-NE 3.02Å; D1031-R1066 IonicContact OD2-NH1 2.59Å; D1031-R1066 PolarHBondContact OD2-NH1 2.79Å
1032	C	68.1	Low	63.7	Low	28 Å²	28	83.3 Å²	83.3	19%	0.189	43%	0.426	C	S	.	.			trans	-58.3	149	178.6	-51.6	0	0	0	0	114.1	C1038 C1047	C1032-C1038 WeakPolarHBondContact SG-CB 3.19Å; C1032-C1038 PolarHBondContact SG-SG 2.01Å; C1032-C1047 WeakPolarHBondContact CA-SG 3.27Å; C1032-C1047 HydrophobicContact CB-CB 3.5Å; C1032-C1047 WeakPolarHBondContact CB-SG 3.11Å; C1032-C1047 WeakPolarHBondContact SG-CB 3.07Å; C1032-C1047 CovalentContact SG-SG 2.02Å; C1032-C1047 PolarHBondContact SG-SG 3.31Å
1033	S	71	Confident	63.7	Low	13 Å²	13	85.1 Å²	85.1	9%	0.091	44%	0.436	C	S	.	.			trans	-62.1	146.8	175.4	-141.4	0	0	0	0	112.2	N1035 A1036 G1065 R1066 I1067 C1068	S1033-N1035 PolarHBondContact O-N 3.25Å; S1033-N1035 VanDerWaalsContact O-N 3.11Å; S1033-A1036 WeakPolarHBondContact O-CA 3.39Å; S1033-A1036 WeakPolarHBondContact O-CB 3.46Å; S1033-A1036 PolarHBondContact O-N 3.26Å; S1033-G1065 VanDerWaalsContact CB-O 3.3Å; S1033-G1065 WeakPolarHBondContact CB-O 3.48Å; S1033-G1065 PolarHBondContact N-O 3.36Å; S1033-R1066 VanDerWaalsContact CA-O 3.31Å; S1033-R1066 WeakPolarHBondContact CA-O 3.49Å; S1033-R1066 VanDerWaalsContact CB-C 3.45Å; S1033-R1066 WeakPolarHBondContact CB-O 3.21Å; S1033-R1066 PolarHBondContact N-O 3.48Å; S1033-R1066 PolarHBondContact OG-O 3.25Å; S1033-I1067 WeakPolarHBondContact OG-CA 3.34Å; S1033-C1068 VanDerWaalsContact CB-SG 3.57Å; S1033-C1068 PolarHBondContact OG-N 2.89Å
1034	P	72.9	Confident	63.4	Low	116 Å²	116	85.5 Å²	85.5	75%	0.753	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.1	-28.2	168.5	-24.4	34.6	0	0	0	112.8	A1036 K1050	P1034-A1036 VanDerWaalsContact C-N 3.27Å; P1034-A1036 PolarHBondContact O-N 2.81Å; P1034-K1050 PolarHBondContact O-NZ 3.03Å
1035	N	68.4	Low	63.5	Low	54 Å²	54	85.9 Å²	85.9	29%	0.289	44%	0.442	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86	9	175.8	-67.2	-23.7	0	0	0	113.2	S1033 K1050 Y1053 C1068	S1033-N1035 PolarHBondContact O-N 3.25Å; S1033-N1035 VanDerWaalsContact O-N 3.11Å; N1035-K1050 VanDerWaalsContact O-CB 3.27Å; N1035-K1050 WeakPolarHBondContact O-CB 3.4Å; N1035-K1050 VanDerWaalsContact O-CD 3.23Å; N1035-K1050 WeakPolarHBondContact O-CD 3.05Å; N1035-K1050 WeakPolarHBondContact O-CG 2.82Å; N1035-K1050 PolarHBondContact O-N 2.83Å; N1035-Y1053 HydrophobicContact CB-CD1 4.43Å; N1035-Y1053 HydrophobicContact CB-CG 4.39Å; N1035-C1068 HydrophobicContact CB-CB 3.49Å; N1035-C1068 VanDerWaalsContact CB-CB 3.49Å; N1035-C1068 WeakPolarHBondContact CB-SG 3.3Å; N1035-C1068 PolarHBondContact ND2-O 3.37Å; N1035-C1068 PolarHBondContact O-SG 2.76Å; N1035-C1068 VanDerWaalsContact O-SG 3.34Å
1036	A	61.6	Low	63.4	Low	9 Å²	9	81.9 Å²	81.9	7%	0.074	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	170.9	179.3	0	0	0	0	0	113.5	S1033 P1034 H1048 K1050 G1065	S1033-A1036 WeakPolarHBondContact O-CA 3.39Å; S1033-A1036 WeakPolarHBondContact O-CB 3.46Å; S1033-A1036 PolarHBondContact O-N 3.26Å; P1034-A1036 VanDerWaalsContact C-N 3.27Å; P1034-A1036 PolarHBondContact O-N 2.81Å; A1036-H1048 CarbonylContact C-O 3.58Å; A1036-H1048 WeakPolarHBondContact CA-O 3.26Å; A1036-H1048 VanDerWaalsContact CB-O 3.25Å; A1036-H1048 WeakPolarHBondContact CB-O 3.4Å; A1036-K1050 VanDerWaalsContact C-CE 3.43Å; A1036-K1050 WeakPolarHBondContact O-CE 3.41Å; A1036-K1050 PolarHBondContact O-NZ 2.72Å; A1036-G1065 WeakPolarHBondContact CB-O 3.42Å
1037	W	73.6	Confident	63.9	Low	128 Å²	128	76.6 Å²	76.6	49%	0.485	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	162.3	169.3	-59.2	-63.8	0	0	0	109.7	C1047 H1048 K1050 Y1085	W1037-C1047 CarbonylContact O-C 3.54Å; W1037-C1047 WeakPolarHBondContact O-CA 3.4Å; W1037-C1047 WeakPolarHBondContact O-CB 3.16Å; W1037-H1048 PolarHBondContact N-O 3.1Å; W1037-H1048 PolarHBondContact O-N 3.32Å; W1037-K1050 HydrophobicContact CD2-CG 3.97Å; W1037-K1050 HydrophobicContact CE3-CG 4.3Å; W1037-K1050 HydrophobicContact CH2-CG 4.12Å; W1037-K1050 HydrophobicContact CZ2-CG 3.74Å; W1037-K1050 HydrophobicContact CZ3-CG 4.37Å; W1037-Y1085 HydrophobicContact CZ3-CE1 4.3Å
1038	C	75.1	Confident	64.5	Low	43 Å²	43	68.4 Å²	68.4	29%	0.291	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	142.8	179.7	-169.6	0	0	0	0	110.2	C1024 C1032 L1046	C1024-C1038 PolarHBondContact SG-SG 3.14Å; C1032-C1038 WeakPolarHBondContact SG-CB 3.19Å; C1032-C1038 PolarHBondContact SG-SG 2.01Å; C1038-L1046 CarbonylContact C-O 2.83Å; C1038-L1046 WeakPolarHBondContact CA-O 3.39Å
1039	T	69	Low	65.2	Low	68 Å²	68	59.5 Å²	59.5	42%	0.417	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	138.4	-175	35.4	0	0	0	0	111	C1024 Y1045 L1046	C1024-T1039 PolarHBondContact SG-O 3.27Å; C1024-T1039 VanDerWaalsContact SG-O 3.41Å; T1039-Y1045 WeakPolarHBondContact O-CA 3.37Å; T1039-L1046 PolarHBondContact N-O 3.23Å; T1039-L1046 PolarHBondContact O-N 2.82Å; T1039-L1046 PolarHBondContact OG1-O 2.87Å
1040	D	59.7	Low	65.4	Low	62 Å²	62	58.4 Å²	58.4	33%	0.332	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	136.3	-166.7	-153.9	70.7	0	0	0	110.8	N1022 E1023 C1024	N1022-D1040 WeakPolarHBondContact CA-OD2 3.45Å; N1022-D1040 WeakPolarHBondContact CB-OD2 3.3Å; N1022-D1040 PolarHBondContact ND2-OD1 2.04Å; N1022-D1040 PolarHBondContact ND2-OD2 2.73Å; E1023-D1040 PolarHBondContact N-OD1 2.85Å; C1024-D1040 HydrophobicContact CB-CB 4.03Å; C1024-D1040 WeakPolarHBondContact CB-OD1 3.14Å; C1024-D1040 PolarHBondContact N-OD1 3.46Å; C1024-D1040 VanDerWaalsContact N-OD1 3.09Å; C1024-D1040 WeakPolarHBondContact SG-CA 3.41Å; C1024-D1040 WeakPolarHBondContact SG-CB 3.22Å; C1024-D1040 PolarHBondContact SG-N 3.48Å; C1024-D1040 PolarHBondContact SG-OD1 3.3Å
1041	T	54.3	Low	65.6	Low	68 Å²	68	63.4 Å²	63.4	42%	0.417	33%	0.334	S	S	.	.			trans	-126.1	164.4	176.5	76.5	0	0	0	0	110	D1043 S1044	T1041-D1043 PolarHBondContact O-N 3.24Å; T1041-S1044 CarbonylContact C-O 3.37Å; T1041-S1044 WeakPolarHBondContact CA-O 3.41Å; T1041-S1044 PolarHBondContact N-O 3.19Å; T1041-S1044 PolarHBondContact O-N 3.39Å; T1041-S1044 PolarHBondContact OG1-N 2.81Å; T1041-S1044 PolarHBondContact OG1-O 3.45Å; T1041-S1044 VanDerWaalsContact OG1-O 3.06Å
1042	L	49.8	Very low	64.8	Low	153 Å²	153	62.1 Å²	62.1	80%	0.801	34%	0.34	S	S	*	.	S	Bend	trans	-66.4	-11.3	-172.2	-88.5	159.4	0	0	0	114.7	L1020	L1020-L1042 WeakPolarHBondContact CD1-O 3.47Å
1043	D	53.1	Low	64.4	Low	94 Å²	94	65.4 Å²	65.4	50%	0.503	35%	0.349	S	S	.	.	S	Bend	trans	-124.5	-15.1	-176.4	-94.7	28.9	0	0	0	114.2	R1003 T1041	R1003-D1043 WeakPolarHBondContact CD-OD1 3.29Å; R1003-D1043 VanDerWaalsContact CZ-CG 3.41Å; R1003-D1043 IonicContact CZ-OD1 2.69Å; R1003-D1043 IonicContact CZ-OD2 3.45Å; R1003-D1043 IonicContact NE-OD1 2.86Å; R1003-D1043 PolarHBondContact NE-OD1 2.93Å; R1003-D1043 IonicContact NH1-OD1 3.9Å; R1003-D1043 PolarHBondContact NH1-OD1 3.39Å; R1003-D1043 IonicContact NH1-OD2 3.21Å; R1003-D1043 PolarHBondContact NH1-OD2 3.05Å; R1003-D1043 IonicContact NH2-OD1 2.91Å; R1003-D1043 IonicContact NH2-OD2 2.72Å; R1003-D1043 PolarHBondContact NH2-OD2 2.83Å; T1041-D1043 PolarHBondContact O-N 3.24Å
1044	S	58.5	Low	63.9	Low	57 Å²	57	67.2 Å²	67.2	40%	0.399	36%	0.359	S	S	.	.	S	Bend	trans	-171.8	-160.1	-176.5	-164.2	0	0	0	0	111.5	T1041	T1041-S1044 CarbonylContact C-O 3.37Å; T1041-S1044 WeakPolarHBondContact CA-O 3.41Å; T1041-S1044 PolarHBondContact N-O 3.19Å; T1041-S1044 PolarHBondContact O-N 3.39Å; T1041-S1044 PolarHBondContact OG1-N 2.81Å; T1041-S1044 PolarHBondContact OG1-O 3.45Å; T1041-S1044 VanDerWaalsContact OG1-O 3.06Å
1045	Y	69.2	Low	63.2	Low	39 Å²	39	62 Å²	62	15%	0.153	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	159.5	169.6	63.1	-85.5	0	0	0	111.6	E1023 L1029 N1030 D1031 T1039	E1023-Y1045 HydrophobicContact CB-CD1 3.75Å; E1023-Y1045 HydrophobicContact CB-CG 4.47Å; E1023-Y1045 HydrophobicContact CG-CD1 4.44Å; L1029-Y1045 WeakPolarHBondContact O-CE1 3.45Å; L1029-Y1045 VanDerWaalsContact O-CZ 3.3Å; L1029-Y1045 PolarHBondContact O-OH 2.93Å; N1030-Y1045 HydrophobicContact CB-CD1 4.21Å; N1030-Y1045 HydrophobicContact CB-CD2 3.52Å; N1030-Y1045 HydrophobicContact CB-CE1 4.25Å; N1030-Y1045 HydrophobicContact CB-CE2 3.58Å; N1030-Y1045 HydrophobicContact CB-CG 3.86Å; D1031-Y1045 PolarHBondContact OD1-OH 3.29Å; T1039-Y1045 WeakPolarHBondContact O-CA 3.37Å
1046	L	63.7	Low	62.9	Low	64 Å²	64	62.7 Å²	62.7	34%	0.335	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	162.2	176.7	-151.3	68.4	0	0	0	109.9	C1038 T1039 P1064	C1038-L1046 CarbonylContact C-O 2.83Å; C1038-L1046 WeakPolarHBondContact CA-O 3.39Å; T1039-L1046 PolarHBondContact N-O 3.23Å; T1039-L1046 PolarHBondContact O-N 2.82Å; T1039-L1046 PolarHBondContact OG1-O 2.87Å; L1046-P1064 HydrophobicContact CD1-CB 4.15Å; L1046-P1064 HydrophobicContact CD1-CG 3.9Å; L1046-P1064 HydrophobicContact CD2-CG 4.31Å; L1046-P1064 HydrophobicContact CG-CB 3.96Å; L1046-P1064 HydrophobicContact CG-CG 4.06Å
1047	C	73.1	Confident	62.9	Low	1 Å²	1	62.3 Å²	62.3	1%	0.007	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	154.3	178.9	-33	0	0	0	0	112.5	C1032 W1037 P1064 G1065	C1032-C1047 WeakPolarHBondContact CA-SG 3.27Å; C1032-C1047 HydrophobicContact CB-CB 3.5Å; C1032-C1047 WeakPolarHBondContact CB-SG 3.11Å; C1032-C1047 WeakPolarHBondContact SG-CB 3.07Å; C1032-C1047 CovalentContact SG-SG 2.02Å; C1032-C1047 PolarHBondContact SG-SG 3.31Å; W1037-C1047 CarbonylContact O-C 3.54Å; W1037-C1047 WeakPolarHBondContact O-CA 3.4Å; W1037-C1047 WeakPolarHBondContact O-CB 3.16Å; C1047-P1064 WeakPolarHBondContact CB-O 3.34Å; C1047-P1064 CarbonylContact O-C 3.28Å; C1047-P1064 WeakPolarHBondContact O-CA 3.49Å; C1047-P1064 WeakPolarHBondContact O-CB 3.19Å; C1047-P1064 PolarHBondContact SG-O 2.85Å; C1047-P1064 VanDerWaalsContact SG-O 3.42Å; C1047-G1065 VanDerWaalsContact O-CA 3.25Å; C1047-G1065 WeakPolarHBondContact O-CA 3.28Å; C1047-G1065 PolarHBondContact O-N 2.78Å
1048	H	68.2	Low	62.1	Low	57 Å²	57	61.3 Å²	61.3	26%	0.264	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	136.5	178	-56.9	-81.5	0	0	0	113.8	A1036 W1037	A1036-H1048 CarbonylContact C-O 3.58Å; A1036-H1048 WeakPolarHBondContact CA-O 3.26Å; A1036-H1048 VanDerWaalsContact CB-O 3.25Å; A1036-H1048 WeakPolarHBondContact CB-O 3.4Å; W1037-H1048 PolarHBondContact N-O 3.1Å; W1037-H1048 PolarHBondContact O-N 3.32Å
1049	C	76.1	Confident	61.3	Low	7 Å²	7	61.5 Å²	61.5	5%	0.047	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	147.4	-176.7	-76.6	0	0	0	0	115.2	D1055 C1068	C1049-D1055 HydrophobicContact CB-CB 4.4Å; C1049-D1055 PolarHBondContact SG-OD2 2.99Å; C1049-C1068 VanDerWaalsContact CA-SG 3.56Å; C1049-C1068 HydrophobicContact CB-CB 3.69Å; C1049-C1068 WeakPolarHBondContact CB-SG 3.34Å; C1049-C1068 WeakPolarHBondContact SG-CB 3.13Å; C1049-C1068 CovalentContact SG-SG 2Å; C1049-C1068 PolarHBondContact SG-SG 2.68Å
1050	K	65.5	Low	60.3	Low	65 Å²	65	61.2 Å²	61.2	28%	0.283	32%	0.323	S	S	.	.			trans	-81	133.8	-177.1	-68.2	157.8	-164.5	153.7	0	111.7	P1034 N1035 A1036 W1037 G1052 Y1053	P1034-K1050 PolarHBondContact O-NZ 3.03Å; N1035-K1050 VanDerWaalsContact O-CB 3.27Å; N1035-K1050 WeakPolarHBondContact O-CB 3.4Å; N1035-K1050 VanDerWaalsContact O-CD 3.23Å; N1035-K1050 WeakPolarHBondContact O-CD 3.05Å; N1035-K1050 WeakPolarHBondContact O-CG 2.82Å; N1035-K1050 PolarHBondContact O-N 2.83Å; A1036-K1050 VanDerWaalsContact C-CE 3.43Å; A1036-K1050 WeakPolarHBondContact O-CE 3.41Å; A1036-K1050 PolarHBondContact O-NZ 2.72Å; W1037-K1050 HydrophobicContact CD2-CG 3.97Å; W1037-K1050 HydrophobicContact CE3-CG 4.3Å; W1037-K1050 HydrophobicContact CH2-CG 4.12Å; W1037-K1050 HydrophobicContact CZ2-CG 3.74Å; W1037-K1050 HydrophobicContact CZ3-CG 4.37Å; K1050-G1052 PolarHBondContact O-N 3.15Å; K1050-Y1053 PolarHBondContact O-N 3.35Å
1051	R	57.6	Low	59.9	Low	128 Å²	128	60.9 Å²	60.9	48%	0.483	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-44.6	132.1	177.4	-67.4	-169.3	-173.4	-161.4	1.1	112.5	Y1085 L1086	R1051-Y1085 PolarHBondContact NE-O 3.16Å; R1051-Y1085 PolarHBondContact NH2-O 2.77Å; R1051-L1086 WeakPolarHBondContact CD-O 3.47Å; R1051-L1086 HydrophobicContact CG-CD2 3.63Å; R1051-L1086 VanDerWaalsContact CZ-C 3.43Å; R1051-L1086 PolarHBondContact NE-O 3.05Å
1052	G	52.6	Low	59.9	Low	51 Å²	51	67 Å²	67	53%	0.526	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	101.1	-19.2	-174	0	0	0	0	0	113.7	K1050 K1071	K1050-G1052 PolarHBondContact O-N 3.15Å; G1052-K1071 PolarHBondContact O-N 2.91Å
1053	Y	59.9	Low	60.6	Low	97 Å²	97	65.7 Å²	65.7	38%	0.38	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	142.4	165.6	-59.4	-100.5	0	0	0	108.5	N1035 K1050 C1068 L1069 A1070	N1035-Y1053 HydrophobicContact CB-CD1 4.43Å; N1035-Y1053 HydrophobicContact CB-CG 4.39Å; K1050-Y1053 PolarHBondContact O-N 3.35Å; Y1053-C1068 HydrophobicContact CG-CB 4.44Å; Y1053-L1069 CarbonylContact C-O 3.57Å; Y1053-L1069 VanDerWaalsContact CA-O 3.26Å; Y1053-L1069 WeakPolarHBondContact CA-O 3.28Å; Y1053-A1070 HydrophobicContact CD1-CB 4.27Å; Y1053-A1070 HydrophobicContact CE1-CB 4.2Å
1054	V	60	Low	60.7	Low	50 Å²	50	61.6 Å²	61.6	30%	0.303	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	141.2	170.1	-161.7	0	0	0	0	107	C1068 L1069 K1071	V1054-C1068 CarbonylContact O-C 3.46Å; V1054-C1068 WeakPolarHBondContact O-CA 2.97Å; V1054-L1069 PolarHBondContact N-O 3.3Å; V1054-L1069 PolarHBondContact O-N 2.77Å; V1054-K1071 HydrophobicContact CG2-CB 3.78Å; V1054-K1071 HydrophobicContact CG2-CD 3.94Å; V1054-K1071 HydrophobicContact CG2-CG 3.6Å
1055	D	58.6	Low	61.2	Low	6 Å²	6	58.9 Å²	58.9	3%	0.032	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	161.8	167.8	-139.5	-52.4	0	0	0	110.7	C1049 S1057 M1060 G1065 I1067 L1079 V1081	C1049-D1055 HydrophobicContact CB-CB 4.4Å; C1049-D1055 PolarHBondContact SG-OD2 2.99Å; D1055-S1057 PolarHBondContact OD1-N 3.35Å; D1055-S1057 VanDerWaalsContact OD1-N 3.11Å; D1055-S1057 PolarHBondContact OD1-OG 3.23Å; D1055-M1060 HydrophobicContact CB-CG 4.47Å; D1055-M1060 HydrophobicContact CB-SD 3.91Å; D1055-G1065 VanDerWaalsContact OD2-CA 3.32Å; D1055-G1065 WeakPolarHBondContact OD2-CA 3.38Å; D1055-I1067 CarbonylContact C-O 3.43Å; D1055-L1079 HydrophobicContact CB-CD1 4.38Å; D1055-L1079 HydrophobicContact CB-CD2 3.97Å; D1055-L1079 WeakPolarHBondContact OD1-CD1 3.35Å; D1055-L1079 WeakPolarHBondContact OD2-CD1 3.04Å; D1055-L1079 WeakPolarHBondContact OD2-CD2 3.21Å; D1055-V1081 HydrophobicContact CB-CG2 4.26Å
1056	R	62	Low	61.4	Low	69 Å²	69	60.3 Å²	60.3	26%	0.26	29%	0.287	S	S	.	.			trans	-169.7	19.1	-170.6	-88	-125.2	-157.6	-179.8	12.2	112.7	I1067 A1073 L1074 I1075	R1056-I1067 CarbonylContact C-O 3.4Å; R1056-I1067 WeakPolarHBondContact CA-O 3.08Å; R1056-I1067 HydrophobicContact CB-CB 4.43Å; R1056-I1067 HydrophobicContact CB-CG2 4.19Å; R1056-I1067 VanDerWaalsContact CB-O 3.32Å; R1056-I1067 WeakPolarHBondContact CB-O 3.24Å; R1056-I1067 PolarHBondContact N-O 2.02Å; R1056-A1073 PolarHBondContact NH2-O 2.52Å; R1056-L1074 VanDerWaalsContact CZ-C 3.44Å; R1056-L1074 PolarHBondContact NH1-O 3.03Å; R1056-L1074 PolarHBondContact NH2-O 2.85Å; R1056-I1075 WeakPolarHBondContact CD-O 3.42Å; R1056-I1075 PolarHBondContact NH1-O 2.8Å
1057	S	62	Low	61.7	Low	1 Å²	1	60.9 Å²	60.9	1%	0.007	29%	0.289	C	S	.	.	S	Bend	trans	-57.1	153.3	167.4	-43.7	0	0	0	0	108.2	D1055 D1059 R1066 I1067 L1079	D1055-S1057 PolarHBondContact OD1-N 3.35Å; D1055-S1057 VanDerWaalsContact OD1-N 3.11Å; D1055-S1057 PolarHBondContact OD1-OG 3.23Å; S1057-D1059 CarbonylContact C-O 3.21Å; S1057-D1059 WeakPolarHBondContact CB-O 3.47Å; S1057-D1059 CarbonylContact O-C 3.51Å; S1057-D1059 PolarHBondContact O-N 3.12Å; S1057-R1066 WeakPolarHBondContact OG-CA 3.33Å; S1057-R1066 WeakPolarHBondContact OG-CB 3.33Å; S1057-R1066 PolarHBondContact OG-N 3.38Å; S1057-I1067 PolarHBondContact OG-N 3.24Å; S1057-L1079 WeakPolarHBondContact OG-CD1 3.3Å
1058	P	56.7	Low	61.5	Low	107 Å²	107	60.9 Å²	60.9	70%	0.695	29%	0.289	S	S	*	.	S	Bend	trans	-58.4	-23	-171.7	-25.3	35.7	0	0	0	113.6
1059	D	57.9	Low	61.1	Low	48 Å²	48	62.2 Å²	62.2	26%	0.257	30%	0.298	S	S	.	.			trans	-104.2	129.3	163.7	-97.2	3.2	0	0	0	106.6	S1057 Y1063 Q1077 C1078 L1079	S1057-D1059 CarbonylContact C-O 3.21Å; S1057-D1059 WeakPolarHBondContact CB-O 3.47Å; S1057-D1059 CarbonylContact O-C 3.51Å; S1057-D1059 PolarHBondContact O-N 3.12Å; D1059-Y1063 HydrophobicContact CB-CD2 4.37Å; D1059-Y1063 WeakPolarHBondContact OD2-CD2 3.45Å; D1059-Q1077 CarbonylContact C-O 2.87Å; D1059-Q1077 VanDerWaalsContact CA-O 3.26Å; D1059-Q1077 WeakPolarHBondContact CA-O 3.22Å; D1059-C1078 VanDerWaalsContact CA-O 3.29Å; D1059-C1078 WeakPolarHBondContact CA-O 3.46Å; D1059-C1078 HydrophobicContact CB-CB 4.29Å; D1059-C1078 WeakPolarHBondContact CB-O 3.5Å; D1059-C1078 VanDerWaalsContact OD1-CB 3.27Å; D1059-C1078 WeakPolarHBondContact OD1-CB 3.13Å; D1059-L1079 HydrophobicContact CB-CB 4.5Å; D1059-L1079 VanDerWaalsContact CB-N 3.34Å; D1059-L1079 WeakPolarHBondContact O-CB 3.49Å; D1059-L1079 PolarHBondContact O-N 3.17Å
1060	M	49	Very low	60.1	Low	61 Å²	61	64.9 Å²	64.9	30%	0.3	32%	0.321	S	S	.	.	S	Bend	trans	-114.4	0	141.6	-45.9	-165.2	-37.4	0	0	126.4	D1055 K1076 Q1077 C1078 L1079	D1055-M1060 HydrophobicContact CB-CG 4.47Å; D1055-M1060 HydrophobicContact CB-SD 3.91Å; M1060-K1076 WeakPolarHBondContact CE-O 3.37Å; M1060-Q1077 VanDerWaalsContact CA-C 3.41Å; M1060-Q1077 PolarHBondContact N-O 2.84Å; M1060-C1078 VanDerWaalsContact O-CA 3.25Å; M1060-C1078 WeakPolarHBondContact O-CA 3.45Å; M1060-C1078 PolarHBondContact O-N 3.13Å; M1060-L1079 CarbonylContact C-O 3.56Å; M1060-L1079 WeakPolarHBondContact CA-O 3.27Å; M1060-L1079 HydrophobicContact CB-CB 4.34Å; M1060-L1079 WeakPolarHBondContact CB-O 3.24Å
1061	L	49.5	Very low	59.3	Low	56 Å²	56	68 Å²	68	29%	0.293	33%	0.334	S	S	.	.	B	Isolated β-bridge		0	-100.4	0	-132.5	-167	0	0	0	134.2	C1078 L1079 D1080 E1102	L1061-C1078 CarbonylContact C-O 3.46Å; L1061-C1078 VanDerWaalsContact C-O 3.31Å; L1061-C1078 WeakPolarHBondContact CA-O 3.4Å; L1061-C1078 VanDerWaalsContact CB-CA 3.46Å; L1061-C1078 HydrophobicContact CB-CB 4.07Å; L1061-C1078 WeakPolarHBondContact CB-O 3.27Å; L1061-L1079 PolarHBondContact N-O 3.01Å; L1061-L1079 CarbonylContact O-C 3.59Å; L1061-L1079 WeakPolarHBondContact O-CA 2.97Å; L1061-D1080 PolarHBondContact O-N 3.4Å; L1061-E1102 HydrophobicContact CD1-CG 4.4Å; L1061-E1102 WeakPolarHBondContact CD1-OE1 3.19Å; L1061-E1102 HydrophobicContact CG-CG 4.19Å
1062	R	55.8	Low	58.2	Low	196 Å²	196	69.7 Å²	69.7	74%	0.74	35%	0.352	S	S	*	.	S	Bend	trans	-77.7	-36.4	-174.3	-79.8	-171.7	179.8	179.4	1.2	123.5	P1064 C1078	R1062-P1064 WeakPolarHBondContact O-CD 3.32Å; R1062-C1078 PolarHBondContact N-O 3.17Å
1063	Y	64	Low	57.1	Low	125 Å²	125	71.2 Å²	71.2	49%	0.49	36%	0.359	S	S	.	.	S	Bend	trans	-106.7	54	-169.1	-84.8	-62.4	0	0	0	119.4	D1059 G1065 R1066 L1079	D1059-Y1063 HydrophobicContact CB-CD2 4.37Å; D1059-Y1063 WeakPolarHBondContact OD2-CD2 3.45Å; Y1063-G1065 PolarHBondContact O-N 3.02Å; Y1063-R1066 VanDerWaalsContact CD1-CZ 3.48Å; Y1063-R1066 VanDerWaalsContact CD1-NH2 3.35Å; Y1063-L1079 WeakPolarHBondContact O-CD1 3Å
1064	P	56	Low	55.7	Low	9 Å²	9	73.5 Å²	73.5	6%	0.058	38%	0.377	C	S	.	.	T	Hydrogen-bonded Turn	trans	22.8	93.1	153.6	20.9	-5.4	0	0	0	119.7	L1046 C1047 R1062 R1066 L1079	L1046-P1064 HydrophobicContact CD1-CB 4.15Å; L1046-P1064 HydrophobicContact CD1-CG 3.9Å; L1046-P1064 HydrophobicContact CD2-CG 4.31Å; L1046-P1064 HydrophobicContact CG-CB 3.96Å; L1046-P1064 HydrophobicContact CG-CG 4.06Å; C1047-P1064 WeakPolarHBondContact CB-O 3.34Å; C1047-P1064 CarbonylContact O-C 3.28Å; C1047-P1064 WeakPolarHBondContact O-CA 3.49Å; C1047-P1064 WeakPolarHBondContact O-CB 3.19Å; C1047-P1064 PolarHBondContact SG-O 2.85Å; C1047-P1064 VanDerWaalsContact SG-O 3.42Å; R1062-P1064 WeakPolarHBondContact O-CD 3.32Å; P1064-R1066 WeakPolarHBondContact O-CG 3.43Å; P1064-R1066 PolarHBondContact O-N 3.22Å; P1064-L1079 HydrophobicContact CB-CD1 4.38Å; P1064-L1079 HydrophobicContact CB-CD2 4.14Å; P1064-L1079 HydrophobicContact CB-CG 3.69Å; P1064-L1079 HydrophobicContact CG-CB 4.35Å; P1064-L1079 HydrophobicContact CG-CD2 4.29Å; P1064-L1079 HydrophobicContact CG-CG 3.74Å
1065	G	67.9	Low	54.3	Low	0 Å²	0	77.6 Å²	77.6	0%	0	40%	0.396	C	S	.	.	T	Hydrogen-bonded Turn	trans	59.7	32.7	155.8	0	0	0	0	0	120.7	S1033 A1036 C1047 D1055 Y1063	S1033-G1065 VanDerWaalsContact CB-O 3.3Å; S1033-G1065 WeakPolarHBondContact CB-O 3.48Å; S1033-G1065 PolarHBondContact N-O 3.36Å; A1036-G1065 WeakPolarHBondContact CB-O 3.42Å; C1047-G1065 VanDerWaalsContact O-CA 3.25Å; C1047-G1065 WeakPolarHBondContact O-CA 3.28Å; C1047-G1065 PolarHBondContact O-N 2.78Å; D1055-G1065 VanDerWaalsContact OD2-CA 3.32Å; D1055-G1065 WeakPolarHBondContact OD2-CA 3.38Å; Y1063-G1065 PolarHBondContact O-N 3.02Å
1066	R	72.5	Confident	53	Low	68 Å²	68	83.4 Å²	83.4	26%	0.257	42%	0.421	S	S	.	.	S	Bend	trans	-86.4	-30	-174.3	-58.5	-178.1	-176.7	-156.2	-2.5	114.9	D1031 S1033 S1057 Y1063 P1064	D1031-R1066 VanDerWaalsContact CG-CZ 3.46Å; D1031-R1066 VanDerWaalsContact CG-NH1 3.35Å; D1031-R1066 IonicContact OD1-CZ 2.66Å; D1031-R1066 IonicContact OD1-NE 3.17Å; D1031-R1066 PolarHBondContact OD1-NE 3.12Å; D1031-R1066 IonicContact OD1-NH1 2.65Å; D1031-R1066 PolarHBondContact OD1-NH1 3.37Å; D1031-R1066 IonicContact OD1-NH2 2.63Å; D1031-R1066 PolarHBondContact OD1-NH2 3.11Å; D1031-R1066 WeakPolarHBondContact OD2-CD 3.2Å; D1031-R1066 IonicContact OD2-CZ 3.7Å; D1031-R1066 IonicContact OD2-NE 3.46Å; D1031-R1066 PolarHBondContact OD2-NE 3.02Å; D1031-R1066 IonicContact OD2-NH1 2.59Å; D1031-R1066 PolarHBondContact OD2-NH1 2.79Å; S1033-R1066 VanDerWaalsContact CA-O 3.31Å; S1033-R1066 WeakPolarHBondContact CA-O 3.49Å; S1033-R1066 VanDerWaalsContact CB-C 3.45Å; S1033-R1066 WeakPolarHBondContact CB-O 3.21Å; S1033-R1066 PolarHBondContact N-O 3.48Å; S1033-R1066 PolarHBondContact OG-O 3.25Å; S1057-R1066 WeakPolarHBondContact OG-CA 3.33Å; S1057-R1066 WeakPolarHBondContact OG-CB 3.33Å; S1057-R1066 PolarHBondContact OG-N 3.38Å; Y1063-R1066 VanDerWaalsContact CD1-CZ 3.48Å; Y1063-R1066 VanDerWaalsContact CD1-NH2 3.35Å; P1064-R1066 WeakPolarHBondContact O-CG 3.43Å; P1064-R1066 PolarHBondContact O-N 3.22Å
1067	I	71.4	Confident	51.5	Low	76 Å²	76	85.2 Å²	85.2	39%	0.39	43%	0.433	S	S	.	.			trans	-137.5	102.4	-179.2	-51.1	178.7	0	0	0	111.8	S1033 D1055 R1056 S1057	S1033-I1067 WeakPolarHBondContact OG-CA 3.34Å; D1055-I1067 CarbonylContact C-O 3.43Å; R1056-I1067 CarbonylContact C-O 3.4Å; R1056-I1067 WeakPolarHBondContact CA-O 3.08Å; R1056-I1067 HydrophobicContact CB-CB 4.43Å; R1056-I1067 HydrophobicContact CB-CG2 4.19Å; R1056-I1067 VanDerWaalsContact CB-O 3.32Å; R1056-I1067 WeakPolarHBondContact CB-O 3.24Å; R1056-I1067 PolarHBondContact N-O 2.02Å; S1057-I1067 PolarHBondContact OG-N 3.24Å
1068	C	68.6	Low	50	Low	2 Å²	2	87.1 Å²	87.1	1%	0.014	45%	0.446	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	128.6	173.4	-20.5	0	0	0	0	113.8	S1033 N1035 C1049 Y1053 V1054	S1033-C1068 VanDerWaalsContact CB-SG 3.57Å; S1033-C1068 PolarHBondContact OG-N 2.89Å; N1035-C1068 HydrophobicContact CB-CB 3.49Å; N1035-C1068 VanDerWaalsContact CB-CB 3.49Å; N1035-C1068 WeakPolarHBondContact CB-SG 3.3Å; N1035-C1068 PolarHBondContact ND2-O 3.37Å; N1035-C1068 PolarHBondContact O-SG 2.76Å; N1035-C1068 VanDerWaalsContact O-SG 3.34Å; C1049-C1068 VanDerWaalsContact CA-SG 3.56Å; C1049-C1068 HydrophobicContact CB-CB 3.69Å; C1049-C1068 WeakPolarHBondContact CB-SG 3.34Å; C1049-C1068 WeakPolarHBondContact SG-CB 3.13Å; C1049-C1068 CovalentContact SG-SG 2Å; C1049-C1068 PolarHBondContact SG-SG 2.68Å; Y1053-C1068 HydrophobicContact CG-CB 4.44Å; V1054-C1068 CarbonylContact O-C 3.46Å; V1054-C1068 WeakPolarHBondContact O-CA 2.97Å
1069	L	60.5	Low	49	Very low	84 Å²	84	82.1 Å²	82.1	44%	0.44	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	151.4	177.3	-61.8	-177.6	0	0	0	112.2	Y1053 V1054	Y1053-L1069 CarbonylContact C-O 3.57Å; Y1053-L1069 VanDerWaalsContact CA-O 3.26Å; Y1053-L1069 WeakPolarHBondContact CA-O 3.28Å; V1054-L1069 PolarHBondContact N-O 3.3Å; V1054-L1069 PolarHBondContact O-N 2.77Å
1070	A	53.6	Low	48.1	Very low	64 Å²	64	81.2 Å²	81.2	53%	0.529	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	148.1	-177.2	0	0	0	0	0	112.3	Y1053 L1072	Y1053-A1070 HydrophobicContact CD1-CB 4.27Å; Y1053-A1070 HydrophobicContact CE1-CB 4.2Å; A1070-L1072 VanDerWaalsContact C-N 3.28Å; A1070-L1072 PolarHBondContact O-N 3.17Å
1071	K	49.8	Very low	47.9	Very low	131 Å²	131	79.5 Å²	79.5	57%	0.57	40%	0.401	S	S	*	.	S	Bend	trans	-72.6	66.6	-169.9	-161.6	161.4	-170.9	172.5	0	114.9	G1052 V1054	G1052-K1071 PolarHBondContact O-N 2.91Å; V1054-K1071 HydrophobicContact CG2-CB 3.78Å; V1054-K1071 HydrophobicContact CG2-CD 3.94Å; V1054-K1071 HydrophobicContact CG2-CG 3.6Å
1072	L	33.4	Very low	48	Very low	163 Å²	163	79.5 Å²	79.5	85%	0.853	40%	0.401	S	S	*	.	S	Bend	trans	-149.9	126.4	163.2	-91.6	117.5	0	0	0	110.6	A1070	A1070-L1072 VanDerWaalsContact C-N 3.28Å; A1070-L1072 PolarHBondContact O-N 3.17Å
1073	A	31.1	Very low	48.4	Very low	82 Å²	82	72.3 Å²	72.3	68%	0.678	38%	0.376	S	S	*	.	S	Bend	trans	73.3	94.8	167.3	0	0	0	0	0	121.8	R1056	R1056-A1073 PolarHBondContact NH2-O 2.52Å
1074	L	29	Very low	48.6	Very low	145 Å²	145	67.5 Å²	67.5	76%	0.759	36%	0.361	S	S	*	.			trans	64.2	114.1	139.3	-70.9	164.8	0	0	0	123.6	R1056	R1056-L1074 VanDerWaalsContact CZ-C 3.44Å; R1056-L1074 PolarHBondContact NH1-O 3.03Å; R1056-L1074 PolarHBondContact NH2-O 2.85Å
1075	I	30.5	Very low	48.9	Very low	136 Å²	136	75 Å²	75	70%	0.697	39%	0.389	S	S	*	.			trans	127.9	119.8	143.1	-65.1	152.2	0	0	0	120.2	R1056	R1056-I1075 WeakPolarHBondContact CD-O 3.42Å; R1056-I1075 PolarHBondContact NH1-O 2.8Å
1076	K	31.4	Very low	48.3	Very low	129 Å²	129	75.8 Å²	75.8	56%	0.561	39%	0.393	S	S	*	.			trans	52.9	176.6	159.2	-106.2	-150.6	168.8	-83.5	0	123.8	M1060	M1060-K1076 WeakPolarHBondContact CE-O 3.37Å
1077	Q	31.1	Very low	47.6	Very low	107 Å²	107	78.3 Å²	78.3	50%	0.5	41%	0.408	S	S	.	.				178.1	143.8	-72.5	-168.2	-168.6	2.3	0	0	112.5	D1059 M1060	D1059-Q1077 CarbonylContact C-O 2.87Å; D1059-Q1077 VanDerWaalsContact CA-O 3.26Å; D1059-Q1077 WeakPolarHBondContact CA-O 3.22Å; M1060-Q1077 VanDerWaalsContact CA-C 3.41Å; M1060-Q1077 PolarHBondContact N-O 2.84Å
1078	C	29.5	Very low	46.8	Very low	41 Å²	41	77.5 Å²	77.5	28%	0.277	40%	0.402	S	S	.	.	B	Isolated β-bridge	trans	83	0	-175	-48.1	0	0	0	0	134.2	D1059 M1060 L1061 R1062	D1059-C1078 VanDerWaalsContact CA-O 3.29Å; D1059-C1078 WeakPolarHBondContact CA-O 3.46Å; D1059-C1078 HydrophobicContact CB-CB 4.29Å; D1059-C1078 WeakPolarHBondContact CB-O 3.5Å; D1059-C1078 VanDerWaalsContact OD1-CB 3.27Å; D1059-C1078 WeakPolarHBondContact OD1-CB 3.13Å; M1060-C1078 VanDerWaalsContact O-CA 3.25Å; M1060-C1078 WeakPolarHBondContact O-CA 3.45Å; M1060-C1078 PolarHBondContact O-N 3.13Å; L1061-C1078 CarbonylContact C-O 3.46Å; L1061-C1078 VanDerWaalsContact C-O 3.31Å; L1061-C1078 WeakPolarHBondContact CA-O 3.4Å; L1061-C1078 VanDerWaalsContact CB-CA 3.46Å; L1061-C1078 HydrophobicContact CB-CB 4.07Å; L1061-C1078 WeakPolarHBondContact CB-O 3.27Å; R1062-C1078 PolarHBondContact N-O 3.17Å
1079	L	36.1	Very low	46.2	Very low	1 Å²	1	79.3 Å²	79.3	1%	0.005	41%	0.41	C	S	.	.	S	Bend		0	104.7	0	-179.6	-172.7	0	0	0	130.8	D1055 S1057 D1059 M1060 L1061 Y1063 P1064 V1081	D1055-L1079 HydrophobicContact CB-CD1 4.38Å; D1055-L1079 HydrophobicContact CB-CD2 3.97Å; D1055-L1079 WeakPolarHBondContact OD1-CD1 3.35Å; D1055-L1079 WeakPolarHBondContact OD2-CD1 3.04Å; D1055-L1079 WeakPolarHBondContact OD2-CD2 3.21Å; S1057-L1079 WeakPolarHBondContact OG-CD1 3.3Å; D1059-L1079 HydrophobicContact CB-CB 4.5Å; D1059-L1079 VanDerWaalsContact CB-N 3.34Å; D1059-L1079 WeakPolarHBondContact O-CB 3.49Å; D1059-L1079 PolarHBondContact O-N 3.17Å; M1060-L1079 CarbonylContact C-O 3.56Å; M1060-L1079 WeakPolarHBondContact CA-O 3.27Å; M1060-L1079 HydrophobicContact CB-CB 4.34Å; M1060-L1079 WeakPolarHBondContact CB-O 3.24Å; L1061-L1079 PolarHBondContact N-O 3.01Å; L1061-L1079 CarbonylContact O-C 3.59Å; L1061-L1079 WeakPolarHBondContact O-CA 2.97Å; Y1063-L1079 WeakPolarHBondContact O-CD1 3Å; P1064-L1079 HydrophobicContact CB-CD1 4.38Å; P1064-L1079 HydrophobicContact CB-CD2 4.14Å; P1064-L1079 HydrophobicContact CB-CG 3.69Å; P1064-L1079 HydrophobicContact CG-CB 4.35Å; P1064-L1079 HydrophobicContact CG-CD2 4.29Å; P1064-L1079 HydrophobicContact CG-CG 3.74Å; L1079-V1081 HydrophobicContact CD2-CG2 3.66Å
1080	D	39.7	Very low	46.6	Very low	29 Å²	29	79.3 Å²	79.3	16%	0.155	41%	0.411	C	S	.	.			trans	-84.3	140.7	-172.5	-175.4	48.6	0	0	0	114.9	L1061	L1061-D1080 PolarHBondContact O-N 3.4Å
1081	V	44.8	Very low	47.3	Very low	26 Å²	26	76.7 Å²	76.7	16%	0.158	39%	0.388	C	S	.	.			trans	-120.6	78.6	-161.2	-177.6	0	0	0	0	110.5	D1055 L1079 E1083 L1086	D1055-V1081 HydrophobicContact CB-CG2 4.26Å; L1079-V1081 HydrophobicContact CD2-CG2 3.66Å; V1081-E1083 VanDerWaalsContact C-N 3.34Å; V1081-E1083 WeakPolarHBondContact O-CA 3.5Å; V1081-E1083 VanDerWaalsContact O-CD 3.23Å; V1081-E1083 WeakPolarHBondContact O-CG 3.49Å; V1081-E1083 PolarHBondContact O-N 3.08Å; V1081-L1086 HydrophobicContact CG1-CD1 3.53Å
1082	N	51.7	Low	48.2	Very low	55 Å²	55	71.1 Å²	71.1	29%	0.294	37%	0.366	S	S	.	.			trans	-41.4	90.8	-176	-168.4	-63	0	0	0	114.7	C1084 Y1085 L1086 D1099	N1082-C1084 VanDerWaalsContact C-N 3.29Å; N1082-C1084 PolarHBondContact O-N 3.11Å; N1082-Y1085 PolarHBondContact O-N 3Å; N1082-Y1085 WeakPolarHBondContact OD1-CA 3.44Å; N1082-Y1085 WeakPolarHBondContact OD1-CB 2.96Å; N1082-Y1085 PolarHBondContact OD1-N 3.46Å; N1082-L1086 VanDerWaalsContact O-CB 3.28Å; N1082-L1086 WeakPolarHBondContact O-CB 3.46Å; N1082-L1086 VanDerWaalsContact O-CG 3.24Å; N1082-L1086 WeakPolarHBondContact O-CG 3.2Å; N1082-L1086 PolarHBondContact O-N 2.88Å; N1082-D1099 VanDerWaalsContact CA-OD1 3.22Å; N1082-D1099 WeakPolarHBondContact CA-OD1 3.19Å; N1082-D1099 WeakPolarHBondContact CA-OD2 3.45Å; N1082-D1099 WeakPolarHBondContact CB-OD2 3.48Å; N1082-D1099 PolarHBondContact ND2-OD2 3.48Å; N1082-D1099 PolarHBondContact OD1-OD1 3.04Å; N1082-D1099 VanDerWaalsContact OD1-OD1 3.12Å
1083	E	64.1	Low	50	Low	46 Å²	46	68.5 Å²	68.5	22%	0.215	36%	0.361	C	S	.	.	H	α-helix	trans	-78.2	-24	-166.3	-93	128.6	160.1	0	0	110.8	V1081 Q1087 Q1088 H1089 D1099 Y1104	V1081-E1083 VanDerWaalsContact C-N 3.34Å; V1081-E1083 WeakPolarHBondContact O-CA 3.5Å; V1081-E1083 VanDerWaalsContact O-CD 3.23Å; V1081-E1083 WeakPolarHBondContact O-CG 3.49Å; V1081-E1083 PolarHBondContact O-N 3.08Å; E1083-Q1087 VanDerWaalsContact O-CA 3.28Å; E1083-Q1087 WeakPolarHBondContact O-CA 3.37Å; E1083-Q1087 PolarHBondContact O-N 2.74Å; E1083-Q1088 HydrophobicContact CG-CB 4.06Å; E1083-Q1088 PolarHBondContact O-N 2.95Å; E1083-H1089 HydrophobicContact CB-CB 4.33Å; E1083-H1089 PolarHBondContact O-CD2 3.35Å; E1083-H1089 PolarHBondContact O-N 2.88Å; E1083-H1089 VanDerWaalsContact O-N 3.09Å; E1083-D1099 PolarHBondContact N-OD1 3.08Å; E1083-Y1104 HydrophobicContact CB-CD1 3.33Å; E1083-Y1104 HydrophobicContact CB-CE1 3.86Å; E1083-Y1104 HydrophobicContact CB-CG 3.79Å; E1083-Y1104 HydrophobicContact CG-CD1 3.75Å; E1083-Y1104 HydrophobicContact CG-CE1 3.89Å; E1083-Y1104 WeakPolarHBondContact OE2-CD1 3.42Å
1084	C	67.9	Low	51.9	Low	24 Å²	24	66.6 Å²	66.6	16%	0.162	34%	0.34	C	S	.	.	H	α-helix	trans	-64.3	-51.7	169.8	-58.3	0	0	0	0	112.3	N1082 Q1087 C1097 K1098 D1099	N1082-C1084 VanDerWaalsContact C-N 3.29Å; N1082-C1084 PolarHBondContact O-N 3.11Å; C1084-Q1087 PolarHBondContact O-N 2.81Å; C1084-C1097 WeakPolarHBondContact CA-SG 3.01Å; C1084-C1097 HydrophobicContact CB-CB 3.49Å; C1084-C1097 VanDerWaalsContact CB-CB 3.49Å; C1084-C1097 WeakPolarHBondContact CB-SG 3.47Å; C1084-C1097 VanDerWaalsContact SG-CA 3.57Å; C1084-C1097 WeakPolarHBondContact SG-CB 3.36Å; C1084-C1097 CovalentContact SG-SG 2.02Å; C1084-C1097 PolarHBondContact SG-SG 2.89Å; C1084-K1098 PolarHBondContact SG-N 3.26Å; C1084-K1098 PolarHBondContact SG-O 2.79Å; C1084-D1099 HydrophobicContact CB-CB 4.03Å; C1084-D1099 WeakPolarHBondContact CB-OD1 3.44Å; C1084-D1099 PolarHBondContact N-OD1 3.48Å; C1084-D1099 VanDerWaalsContact SG-CB 3.6Å; C1084-D1099 PolarHBondContact SG-OD1 3.02Å
1085	Y	62.4	Low	53.4	Low	165 Å²	165	60 Å²	60	65%	0.647	31%	0.306	S	S	*	.	H	α-helix	trans	-72.1	-31.4	177.6	-166.1	-95.2	0	0	0	111.9	W1037 R1051 N1082	W1037-Y1085 HydrophobicContact CZ3-CE1 4.3Å; R1051-Y1085 PolarHBondContact NE-O 3.16Å; R1051-Y1085 PolarHBondContact NH2-O 2.77Å; N1082-Y1085 PolarHBondContact O-N 3Å; N1082-Y1085 WeakPolarHBondContact OD1-CA 3.44Å; N1082-Y1085 WeakPolarHBondContact OD1-CB 2.96Å; N1082-Y1085 PolarHBondContact OD1-N 3.46Å
1086	L	54.9	Low	55.6	Low	17 Å²	17	56.2 Å²	56.2	9%	0.089	29%	0.287	C	S	.	.	H	α-helix	trans	-83.9	-12.1	178.3	-68.6	170.6	0	0	0	114.3	R1051 V1081 N1082 Q1088	R1051-L1086 WeakPolarHBondContact CD-O 3.47Å; R1051-L1086 HydrophobicContact CG-CD2 3.63Å; R1051-L1086 VanDerWaalsContact CZ-C 3.43Å; R1051-L1086 PolarHBondContact NE-O 3.05Å; V1081-L1086 HydrophobicContact CG1-CD1 3.53Å; N1082-L1086 VanDerWaalsContact O-CB 3.28Å; N1082-L1086 WeakPolarHBondContact O-CB 3.46Å; N1082-L1086 VanDerWaalsContact O-CG 3.24Å; N1082-L1086 WeakPolarHBondContact O-CG 3.2Å; N1082-L1086 PolarHBondContact O-N 2.88Å; L1086-Q1088 HydrophobicContact CB-CG 4.32Å; L1086-Q1088 PolarHBondContact O-N 2.85Å
1087	Q	58.4	Low	57.6	Low	122 Å²	122	51.2 Å²	51.2	57%	0.57	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	45.7	44.4	-166.2	-68.5	176.5	-50.2	0	0	111.6	E1083 C1084	E1083-Q1087 VanDerWaalsContact O-CA 3.28Å; E1083-Q1087 WeakPolarHBondContact O-CA 3.37Å; E1083-Q1087 PolarHBondContact O-N 2.74Å; C1084-Q1087 PolarHBondContact O-N 2.81Å
1088	Q	54	Low	59.1	Low	59 Å²	59	51.1 Å²	51.1	28%	0.276	27%	0.266	S	S	.	.			trans	-105	1.7	163.2	-66.8	-169.2	113.7	0	0	111.5	E1083 L1086	E1083-Q1088 HydrophobicContact CG-CB 4.06Å; E1083-Q1088 PolarHBondContact O-N 2.95Å; L1086-Q1088 HydrophobicContact CB-CG 4.32Å; L1086-Q1088 PolarHBondContact O-N 2.85Å
1089	H	55.7	Low	60.4	Low	39 Å²	39	51.2 Å²	51.2	18%	0.181	26%	0.263	C	S	.	.	S	Bend	trans	-54.5	144	152.6	74.9	69.6	0	0	0	111.1	E1083 C1091 C1097 Y1104	E1083-H1089 HydrophobicContact CB-CB 4.33Å; E1083-H1089 PolarHBondContact O-CD2 3.35Å; E1083-H1089 PolarHBondContact O-N 2.88Å; E1083-H1089 VanDerWaalsContact O-N 3.09Å; H1089-C1091 VanDerWaalsContact C-N 3.32Å; H1089-C1091 HydrophobicContact CB-CB 4.31Å; H1089-C1091 VanDerWaalsContact CB-SG 3.53Å; H1089-C1091 PolarHBondContact CE1-O 2.96Å; H1089-C1091 VanDerWaalsContact CG-SG 3.56Å; H1089-C1091 WeakPolarHBondContact ND1-CA 3.24Å; H1089-C1091 WeakPolarHBondContact ND1-CB 3.25Å; H1089-C1091 PolarHBondContact ND1-N 2.99Å; H1089-C1091 VanDerWaalsContact ND1-N 3.13Å; H1089-C1091 PolarHBondContact ND1-O 3.08Å; H1089-C1097 HydrophobicContact CB-CB 4.42Å; H1089-C1097 WeakPolarHBondContact CB-SG 3.39Å; H1089-Y1104 VanDerWaalsContact CA-CE2 3.44Å; H1089-Y1104 HydrophobicContact CB-CD2 3.54Å; H1089-Y1104 HydrophobicContact CB-CE2 3.58Å; H1089-Y1104 HydrophobicContact CB-CG 4.11Å
1090	D	68.8	Low	61.2	Low	84 Å²	84	56.2 Å²	56.2	45%	0.449	29%	0.287	S	S	.	.			trans	-94	12.6	163.1	63.5	1.7	0	0	0	112	S1092 Y1104 R1125	D1090-S1092 PolarHBondContact O-N 3.46Å; D1090-Y1104 PolarHBondContact N-OH 3.15Å; D1090-Y1104 WeakPolarHBondContact OD1-CE2 3.1Å; D1090-Y1104 PolarHBondContact OD1-OH 2.91Å; D1090-R1125 WeakPolarHBondContact O-CA 3.47Å; D1090-R1125 WeakPolarHBondContact OD1-CD 3.07Å; D1090-R1125 WeakPolarHBondContact OD1-CG 3.27Å; D1090-R1125 IonicContact OD1-CZ 3.09Å; D1090-R1125 IonicContact OD1-NE 3.37Å; D1090-R1125 PolarHBondContact OD1-NE 2.02Å; D1090-R1125 VanDerWaalsContact OD1-NE 3.12Å; D1090-R1125 IonicContact OD1-NH1 3.18Å; D1090-R1125 PolarHBondContact OD1-NH1 2.83Å; D1090-R1125 IonicContact OD1-NH2 3.85Å; D1090-R1125 IonicContact OD2-CZ 2.83Å; D1090-R1125 IonicContact OD2-NH1 2.79Å; D1090-R1125 PolarHBondContact OD2-NH1 3.01Å
1091	C	69	Low	61.7	Low	9 Å²	9	62.5 Å²	62.5	6%	0.061	32%	0.315	C	S	.	.			trans	-46.9	135.6	166	-42.8	0	0	0	0	110.5	H1089 A1095 C1097 C1106 G1124	H1089-C1091 VanDerWaalsContact C-N 3.32Å; H1089-C1091 HydrophobicContact CB-CB 4.31Å; H1089-C1091 VanDerWaalsContact CB-SG 3.53Å; H1089-C1091 PolarHBondContact CE1-O 2.96Å; H1089-C1091 VanDerWaalsContact CG-SG 3.56Å; H1089-C1091 WeakPolarHBondContact ND1-CA 3.24Å; H1089-C1091 WeakPolarHBondContact ND1-CB 3.25Å; H1089-C1091 PolarHBondContact ND1-N 2.99Å; H1089-C1091 VanDerWaalsContact ND1-N 3.13Å; H1089-C1091 PolarHBondContact ND1-O 3.08Å; C1091-A1095 HydrophobicContact CB-CB 4.06Å; C1091-C1097 HydrophobicContact CB-CB 4.49Å; C1091-C1097 WeakPolarHBondContact SG-CB 3.19Å; C1091-C1097 PolarHBondContact SG-SG 2.8Å; C1091-C1106 WeakPolarHBondContact CA-SG 3.48Å; C1091-C1106 HydrophobicContact CB-CB 3.47Å; C1091-C1106 VanDerWaalsContact CB-CB 3.47Å; C1091-C1106 WeakPolarHBondContact CB-SG 3.47Å; C1091-C1106 WeakPolarHBondContact SG-CB 3.35Å; C1091-C1106 CovalentContact SG-SG 2.01Å; C1091-C1106 PolarHBondContact SG-SG 3.43Å; C1091-G1124 CarbonylContact C-O 3.57Å; C1091-G1124 WeakPolarHBondContact CA-O 3.42Å
1092	S	69.7	Low	61.7	Low	14 Å²	14	69.3 Å²	69.3	10%	0.098	35%	0.346	C	S	.	.			trans	-47.6	148.4	174.6	175.5	0	0	0	0	111.7	D1090 N1094 A1095 G1124 R1125 C1127	D1090-S1092 PolarHBondContact O-N 3.46Å; S1092-N1094 PolarHBondContact O-N 3.38Å; S1092-N1094 PolarHBondContact OG-N 2.85Å; S1092-A1095 WeakPolarHBondContact O-CB 3.43Å; S1092-A1095 PolarHBondContact O-N 3.36Å; S1092-G1124 WeakPolarHBondContact CB-O 3.36Å; S1092-G1124 PolarHBondContact N-O 3.17Å; S1092-R1125 WeakPolarHBondContact CA-O 3.33Å; S1092-R1125 PolarHBondContact N-O 2.04Å; S1092-C1127 WeakPolarHBondContact CB-SG 3.38Å; S1092-C1127 PolarHBondContact OG-N 3.04Å; S1092-C1127 VanDerWaalsContact OG-N 3.11Å; S1092-C1127 PolarHBondContact OG-SG 3.28Å; S1092-C1127 VanDerWaalsContact OG-SG 3.38Å
1093	S	71.1	Confident	62	Low	108 Å²	108	67.7 Å²	67.7	76%	0.755	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-20.3	168.1	60.2	0	0	0	0	112.9
1094	N	71	Confident	62.1	Low	43 Å²	43	67.4 Å²	67.4	23%	0.23	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.5	19.1	178.7	-50.6	-35.3	0	0	0	111.9	S1092 R1109 F1112 C1127	S1092-N1094 PolarHBondContact O-N 3.38Å; S1092-N1094 PolarHBondContact OG-N 2.85Å; N1094-R1109 VanDerWaalsContact O-CB 3.26Å; N1094-R1109 WeakPolarHBondContact O-CB 3.11Å; N1094-R1109 WeakPolarHBondContact O-CG 3.43Å; N1094-R1109 PolarHBondContact O-N 3.01Å; N1094-F1112 HydrophobicContact CB-CB 4.36Å; N1094-F1112 HydrophobicContact CB-CD1 3.67Å; N1094-F1112 HydrophobicContact CB-CD2 3.89Å; N1094-F1112 HydrophobicContact CB-CE1 3.9Å; N1094-F1112 HydrophobicContact CB-CE2 4.12Å; N1094-F1112 HydrophobicContact CB-CG 3.68Å; N1094-F1112 HydrophobicContact CB-CZ 4.13Å; N1094-F1112 WeakPolarHBondContact ND2-CD1 3.09Å; N1094-F1112 VanDerWaalsContact ND2-CE1 3.29Å; N1094-F1112 WeakPolarHBondContact ND2-CE1 3.32Å; N1094-C1127 HydrophobicContact CB-CB 4.02Å; N1094-C1127 PolarHBondContact ND2-O 2.79Å
1095	A	60.4	Low	62	Low	6 Å²	6	68.1 Å²	68.1	5%	0.05	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	172.7	175.1	0	0	0	0	0	113.1	C1091 S1092 R1107 R1109 G1124	C1091-A1095 HydrophobicContact CB-CB 4.06Å; S1092-A1095 WeakPolarHBondContact O-CB 3.43Å; S1092-A1095 PolarHBondContact O-N 3.36Å; A1095-R1107 CarbonylContact C-O 3.4Å; A1095-R1107 VanDerWaalsContact CA-O 3.28Å; A1095-R1107 WeakPolarHBondContact CA-O 3.41Å; A1095-R1107 WeakPolarHBondContact CB-O 3.37Å; A1095-R1109 PolarHBondContact O-NE 2.91Å; A1095-R1109 PolarHBondContact O-NH2 2.95Å; A1095-G1124 WeakPolarHBondContact CB-O 3.08Å
1096	I	75.3	Confident	62.5	Low	56 Å²	56	60.6 Å²	60.6	29%	0.287	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	140	169.3	-60.1	166.5	0	0	0	105.6	C1106 R1107 R1109 I1147	I1096-C1106 CarbonylContact O-C 3.54Å; I1096-C1106 WeakPolarHBondContact O-CA 3.49Å; I1096-R1107 PolarHBondContact N-O 2.83Å; I1096-R1107 PolarHBondContact O-N 2.86Å; I1096-R1109 HydrophobicContact CD1-CG 4.13Å; I1096-R1109 HydrophobicContact CG1-CG 3.78Å; I1096-I1147 HydrophobicContact CD1-CD1 4.49Å
1097	C	73.8	Confident	63.4	Low	25 Å²	25	64.5 Å²	64.5	17%	0.169	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	135.5	176.3	-173	0	0	0	0	108.7	C1084 H1089 C1091 S1105	C1084-C1097 WeakPolarHBondContact CA-SG 3.01Å; C1084-C1097 HydrophobicContact CB-CB 3.49Å; C1084-C1097 VanDerWaalsContact CB-CB 3.49Å; C1084-C1097 WeakPolarHBondContact CB-SG 3.47Å; C1084-C1097 VanDerWaalsContact SG-CA 3.57Å; C1084-C1097 WeakPolarHBondContact SG-CB 3.36Å; C1084-C1097 CovalentContact SG-SG 2.02Å; C1084-C1097 PolarHBondContact SG-SG 2.89Å; H1089-C1097 HydrophobicContact CB-CB 4.42Å; H1089-C1097 WeakPolarHBondContact CB-SG 3.39Å; C1091-C1097 HydrophobicContact CB-CB 4.49Å; C1091-C1097 WeakPolarHBondContact SG-CB 3.19Å; C1091-C1097 PolarHBondContact SG-SG 2.8Å; C1097-S1105 WeakPolarHBondContact CA-O 3.03Å
1098	K	63.5	Low	64.1	Low	104 Å²	104	58.9 Å²	58.9	45%	0.452	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	154.1	167	-102.6	-168.6	173.4	-171.5	0	108.7	C1084 Y1104 S1105	C1084-K1098 PolarHBondContact SG-N 3.26Å; C1084-K1098 PolarHBondContact SG-O 2.79Å; K1098-Y1104 CarbonylContact O-C 3.44Å; K1098-Y1104 WeakPolarHBondContact O-CA 3.28Å; K1098-Y1104 WeakPolarHBondContact O-CB 3.21Å; K1098-S1105 VanDerWaalsContact CB-OG 3.25Å; K1098-S1105 WeakPolarHBondContact CB-OG 3.42Å; K1098-S1105 PolarHBondContact N-O 2.77Å; K1098-S1105 PolarHBondContact O-N 3.36Å; K1098-S1105 PolarHBondContact O-OG 3.34Å
1099	D	56.7	Low	64.6	Low	43 Å²	43	62 Å²	62	23%	0.23	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	121.2	-153.6	-153.1	98	0	0	0	109.2	N1082 E1083 C1084	N1082-D1099 VanDerWaalsContact CA-OD1 3.22Å; N1082-D1099 WeakPolarHBondContact CA-OD1 3.19Å; N1082-D1099 WeakPolarHBondContact CA-OD2 3.45Å; N1082-D1099 WeakPolarHBondContact CB-OD2 3.48Å; N1082-D1099 PolarHBondContact ND2-OD2 3.48Å; N1082-D1099 PolarHBondContact OD1-OD1 3.04Å; N1082-D1099 VanDerWaalsContact OD1-OD1 3.12Å; E1083-D1099 PolarHBondContact N-OD1 3.08Å; C1084-D1099 HydrophobicContact CB-CB 4.03Å; C1084-D1099 WeakPolarHBondContact CB-OD1 3.44Å; C1084-D1099 PolarHBondContact N-OD1 3.48Å; C1084-D1099 VanDerWaalsContact SG-CB 3.6Å; C1084-D1099 PolarHBondContact SG-OD1 3.02Å
1100	E	53.6	Low	64.7	Low	107 Å²	107	64.8 Å²	64.8	50%	0.5	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	154.1	-164.8	-69.6	149	-131.6	0	0	109.2	E1102 G1103 S1105	E1100-E1102 PolarHBondContact O-N 2.84Å; E1100-G1103 CarbonylContact C-O 3.04Å; E1100-G1103 PolarHBondContact N-O 2.98Å; E1100-G1103 CarbonylContact O-C 3.58Å; E1100-G1103 PolarHBondContact O-N 2.86Å; E1100-S1105 PolarHBondContact OE1-OG 2.77Å
1101	E	48.3	Very low	64.1	Low	160 Å²	160	62.7 Å²	62.7	75%	0.748	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.1	0.7	-157.6	-60.3	-165.7	143.9	0	0	117.5
1102	E	46.1	Very low	63.8	Low	170 Å²	170	65 Å²	65	79%	0.794	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-122.7	10.5	164.7	-62.4	-151.8	145.1	0	0	114.1	L1061 E1100	L1061-E1102 HydrophobicContact CD1-CG 4.4Å; L1061-E1102 WeakPolarHBondContact CD1-OE1 3.19Å; L1061-E1102 HydrophobicContact CG-CG 4.19Å; E1100-E1102 PolarHBondContact O-N 2.84Å
1103	G	58.6	Low	63.3	Low	21 Å²	21	66.9 Å²	66.9	22%	0.216	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	150.2	-174.2	171.7	0	0	0	0	0	115.5	E1100	E1100-G1103 CarbonylContact C-O 3.04Å; E1100-G1103 PolarHBondContact N-O 2.98Å; E1100-G1103 CarbonylContact O-C 3.58Å; E1100-G1103 PolarHBondContact O-N 2.86Å
1104	Y	64.6	Low	62.9	Low	39 Å²	39	62.4 Å²	62.4	15%	0.153	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	137.2	-174.7	63.3	-79.1	0	0	0	114.7	E1083 H1089 D1090 K1098 R1125	E1083-Y1104 HydrophobicContact CB-CD1 3.33Å; E1083-Y1104 HydrophobicContact CB-CE1 3.86Å; E1083-Y1104 HydrophobicContact CB-CG 3.79Å; E1083-Y1104 HydrophobicContact CG-CD1 3.75Å; E1083-Y1104 HydrophobicContact CG-CE1 3.89Å; E1083-Y1104 WeakPolarHBondContact OE2-CD1 3.42Å; H1089-Y1104 VanDerWaalsContact CA-CE2 3.44Å; H1089-Y1104 HydrophobicContact CB-CD2 3.54Å; H1089-Y1104 HydrophobicContact CB-CE2 3.58Å; H1089-Y1104 HydrophobicContact CB-CG 4.11Å; D1090-Y1104 PolarHBondContact N-OH 3.15Å; D1090-Y1104 WeakPolarHBondContact OD1-CE2 3.1Å; D1090-Y1104 PolarHBondContact OD1-OH 2.91Å; K1098-Y1104 CarbonylContact O-C 3.44Å; K1098-Y1104 WeakPolarHBondContact O-CA 3.28Å; K1098-Y1104 WeakPolarHBondContact O-CB 3.21Å; Y1104-R1125 PolarHBondContact O-NH2 3.45Å; Y1104-R1125 PolarHBondContact OH-NH1 3.27Å; Y1104-R1125 VanDerWaalsContact OH-NH1 3.17Å
1105	S	66.1	Low	62.7	Low	40 Å²	40	65.8 Å²	65.8	28%	0.28	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	151.3	165.9	62.6	0	0	0	0	110.6	C1097 K1098 E1100	C1097-S1105 WeakPolarHBondContact CA-O 3.03Å; K1098-S1105 VanDerWaalsContact CB-OG 3.25Å; K1098-S1105 WeakPolarHBondContact CB-OG 3.42Å; K1098-S1105 PolarHBondContact N-O 2.77Å; K1098-S1105 PolarHBondContact O-N 3.36Å; K1098-S1105 PolarHBondContact O-OG 3.34Å; E1100-S1105 PolarHBondContact OE1-OG 2.77Å
1106	C	73.5	Confident	62.8	Low	6 Å²	6	65.8 Å²	65.8	4%	0.041	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	145.7	175	-45.5	0	0	0	0	111	C1091 I1096 P1123 G1124	C1091-C1106 WeakPolarHBondContact CA-SG 3.48Å; C1091-C1106 HydrophobicContact CB-CB 3.47Å; C1091-C1106 VanDerWaalsContact CB-CB 3.47Å; C1091-C1106 WeakPolarHBondContact CB-SG 3.47Å; C1091-C1106 WeakPolarHBondContact SG-CB 3.35Å; C1091-C1106 CovalentContact SG-SG 2.01Å; C1091-C1106 PolarHBondContact SG-SG 3.43Å; I1096-C1106 CarbonylContact O-C 3.54Å; I1096-C1106 WeakPolarHBondContact O-CA 3.49Å; C1106-P1123 VanDerWaalsContact CB-O 3.22Å; C1106-P1123 WeakPolarHBondContact CB-O 3.06Å; C1106-P1123 CarbonylContact O-C 3.57Å; C1106-P1123 VanDerWaalsContact O-C 3.22Å; C1106-P1123 WeakPolarHBondContact O-CB 3.38Å; C1106-P1123 WeakPolarHBondContact O-CG 3.28Å; C1106-G1124 PolarHBondContact O-N 2.89Å
1107	R	72.7	Confident	62.1	Low	99 Å²	99	68.9 Å²	68.9	37%	0.374	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	124.7	177.6	178.9	178.4	176.4	158.2	8.8	110.6	A1095 I1096 E1144	A1095-R1107 CarbonylContact C-O 3.4Å; A1095-R1107 VanDerWaalsContact CA-O 3.28Å; A1095-R1107 WeakPolarHBondContact CA-O 3.41Å; A1095-R1107 WeakPolarHBondContact CB-O 3.37Å; I1096-R1107 PolarHBondContact N-O 2.83Å; I1096-R1107 PolarHBondContact O-N 2.86Å; R1107-E1144 IonicContact NH2-OE2 3.05Å
1108	C	73.3	Confident	61.1	Low	5 Å²	5	71.6 Å²	71.6	3%	0.034	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.7	150.8	177.6	-69.9	0	0	0	0	113.6	D1114 C1127 M1143	C1108-D1114 HydrophobicContact CB-CB 4.41Å; C1108-D1114 PolarHBondContact SG-OD2 2.87Å; C1108-C1127 VanDerWaalsContact CA-SG 3.55Å; C1108-C1127 HydrophobicContact CB-CB 3.77Å; C1108-C1127 WeakPolarHBondContact CB-SG 3.45Å; C1108-C1127 WeakPolarHBondContact SG-CB 3.01Å; C1108-C1127 CovalentContact SG-SG 2.02Å; C1108-C1127 PolarHBondContact SG-SG 2.72Å; C1108-M1143 HydrophobicContact CB-CE 3.66Å; C1108-M1143 HydrophobicContact CB-SD 3.16Å; C1108-M1143 WeakPolarHBondContact CB-SD 3.48Å
1109	R	65.9	Low	60.8	Low	125 Å²	125	68.3 Å²	68.3	47%	0.472	35%	0.348	S	S	.	.			trans	-93.2	157.5	-178.1	-64.4	173.6	-169.7	-130	-3	112.6	N1094 A1095 I1096 G1111 F1112 M1143	N1094-R1109 VanDerWaalsContact O-CB 3.26Å; N1094-R1109 WeakPolarHBondContact O-CB 3.11Å; N1094-R1109 WeakPolarHBondContact O-CG 3.43Å; N1094-R1109 PolarHBondContact O-N 3.01Å; A1095-R1109 PolarHBondContact O-NE 2.91Å; A1095-R1109 PolarHBondContact O-NH2 2.95Å; I1096-R1109 HydrophobicContact CD1-CG 4.13Å; I1096-R1109 HydrophobicContact CG1-CG 3.78Å; R1109-G1111 PolarHBondContact O-N 2.66Å; R1109-F1112 PolarHBondContact O-N 3.22Å; R1109-M1143 WeakPolarHBondContact O-CE 3.21Å
1110	E	56.3	Low	60.4	Low	96 Å²	96	71.6 Å²	71.6	45%	0.449	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	-33.3	124.2	172.7	-50.3	-133.7	83.6	0	0	115.3	F1112 V1145 T1146 I1147	E1110-F1112 WeakPolarHBondContact O-CD2 3.3Å; E1110-V1145 HydrophobicContact CB-CG1 4.1Å; E1110-T1146 VanDerWaalsContact CA-OG1 3.24Å; E1110-T1146 WeakPolarHBondContact CA-OG1 3.49Å; E1110-T1146 WeakPolarHBondContact CB-OG1 3.23Å; E1110-T1146 WeakPolarHBondContact CG-OG1 3.42Å; E1110-T1146 WeakPolarHBondContact OE1-CB 3.05Å; E1110-T1146 PolarHBondContact OE1-OG1 2.92Å; E1110-I1147 VanDerWaalsContact CD-CG2 3.4Å; E1110-I1147 HydrophobicContact CG-CB 3.71Å; E1110-I1147 HydrophobicContact CG-CD1 3.83Å; E1110-I1147 HydrophobicContact CG-CG1 4.27Å; E1110-I1147 HydrophobicContact CG-CG2 3.65Å; E1110-I1147 PolarHBondContact OE1-N 3.17Å
1111	G	56.9	Low	60.4	Low	41 Å²	41	69.5 Å²	69.5	42%	0.423	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	86.5	5.1	171.4	0	0	0	0	0	116.1	R1109	R1109-G1111 PolarHBondContact O-N 2.66Å
1112	F	63.2	Low	61.1	Low	58 Å²	58	65.4 Å²	65.4	25%	0.254	35%	0.349	S	S	.	.			trans	-107.7	-179.6	168.6	-61.3	-93.9	0	0	0	109.7	N1094 R1109 E1110 C1127 E1128 A1129 M1143	N1094-F1112 HydrophobicContact CB-CB 4.36Å; N1094-F1112 HydrophobicContact CB-CD1 3.67Å; N1094-F1112 HydrophobicContact CB-CD2 3.89Å; N1094-F1112 HydrophobicContact CB-CE1 3.9Å; N1094-F1112 HydrophobicContact CB-CE2 4.12Å; N1094-F1112 HydrophobicContact CB-CG 3.68Å; N1094-F1112 HydrophobicContact CB-CZ 4.13Å; N1094-F1112 WeakPolarHBondContact ND2-CD1 3.09Å; N1094-F1112 VanDerWaalsContact ND2-CE1 3.29Å; N1094-F1112 WeakPolarHBondContact ND2-CE1 3.32Å; R1109-F1112 PolarHBondContact O-N 3.22Å; E1110-F1112 WeakPolarHBondContact O-CD2 3.3Å; F1112-C1127 HydrophobicContact CB-CB 3.74Å; F1112-E1128 CarbonylContact C-O 3.52Å; F1112-E1128 WeakPolarHBondContact CA-O 3.28Å; F1112-A1129 HydrophobicContact CD1-CB 3.99Å; F1112-A1129 HydrophobicContact CE1-CB 3.96Å; F1112-M1143 VanDerWaalsContact C-SD 3.57Å; F1112-M1143 HydrophobicContact CB-CE 4.33Å; F1112-M1143 WeakPolarHBondContact O-CE 3.48Å
1113	V	58.7	Low	61.8	Low	52 Å²	52	59.5 Å²	59.5	32%	0.315	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	133.7	173	-175.1	0	0	0	0	108.2	K1115 C1127 E1128 M1143	V1113-K1115 PolarHBondContact O-N 3.46Å; V1113-C1127 VanDerWaalsContact O-CA 3.25Å; V1113-C1127 WeakPolarHBondContact O-CA 3.05Å; V1113-E1128 PolarHBondContact N-O 2.97Å; V1113-E1128 PolarHBondContact O-N 3.34Å; V1113-E1128 VanDerWaalsContact O-N 3.1Å; V1113-M1143 WeakPolarHBondContact CA-SD 3.13Å; V1113-M1143 HydrophobicContact CB-CB 4.47Å; V1113-M1143 HydrophobicContact CG1-CB 4.29Å
1114	D	63	Low	62.1	Low	14 Å²	14	58.5 Å²	58.5	8%	0.075	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	127.3	178.8	-152.8	-38.5	0	0	0	110.3	C1108 S1116 I1119 G1124 L1142 M1143	C1108-D1114 HydrophobicContact CB-CB 4.41Å; C1108-D1114 PolarHBondContact SG-OD2 2.87Å; D1114-S1116 VanDerWaalsContact OD1-CB 3.24Å; D1114-S1116 WeakPolarHBondContact OD1-CB 3.41Å; D1114-S1116 PolarHBondContact OD1-N 2.93Å; D1114-S1116 PolarHBondContact OD1-OG 3.04Å; D1114-I1119 HydrophobicContact CB-CG2 4.45Å; D1114-G1124 PolarHBondContact OD1-N 2.98Å; D1114-G1124 VanDerWaalsContact OD2-CA 3.31Å; D1114-G1124 WeakPolarHBondContact OD2-CA 3.25Å; D1114-G1124 PolarHBondContact OD2-N 3.21Å; D1114-L1142 WeakPolarHBondContact CB-O 3.5Å; D1114-M1143 HydrophobicContact CB-SD 4.27Å; D1114-M1143 PolarHBondContact N-SD 3.46Å
1115	K	67.5	Low	62.6	Low	115 Å²	115	58.8 Å²	58.8	50%	0.5	32%	0.315	S	S	.	.			trans	-135	25.1	179.4	-69.7	-166.4	179	-177.1	0	111	V1113 V1126 E1128	V1113-K1115 PolarHBondContact O-N 3.46Å; K1115-V1126 CarbonylContact C-O 3.58Å; K1115-V1126 HydrophobicContact CB-CG1 4.28Å; K1115-V1126 PolarHBondContact N-O 3.18Å; K1115-E1128 HydrophobicContact CD-CB 4.33Å; K1115-E1128 HydrophobicContact CD-CG 4.19Å; K1115-E1128 WeakPolarHBondContact CD-OE2 3.03Å; K1115-E1128 WeakPolarHBondContact CE-OE2 3.25Å; K1115-E1128 IonicContact NZ-OE2 2.9Å; K1115-E1128 PolarHBondContact NZ-OE2 3.36Å
1116	S	60.6	Low	62.9	Low	5 Å²	5	60 Å²	60	4%	0.035	32%	0.32	C	S	.	.			trans	-59.9	139	172.3	-50.7	0	0	0	0	109.1	D1114 N1118 I1119 L1122 G1124 R1125 V1126	D1114-S1116 VanDerWaalsContact OD1-CB 3.24Å; D1114-S1116 WeakPolarHBondContact OD1-CB 3.41Å; D1114-S1116 PolarHBondContact OD1-N 2.93Å; D1114-S1116 PolarHBondContact OD1-OG 3.04Å; S1116-N1118 PolarHBondContact O-N 3.19Å; S1116-I1119 VanDerWaalsContact O-CG1 3.3Å; S1116-I1119 WeakPolarHBondContact O-CG1 3.3Å; S1116-L1122 WeakPolarHBondContact CB-O 3.35Å; S1116-G1124 PolarHBondContact OG-N 3.24Å; S1116-G1124 VanDerWaalsContact OG-N 3.13Å; S1116-R1125 WeakPolarHBondContact OG-CA 3.27Å; S1116-R1125 PolarHBondContact OG-N 2.83Å; S1116-V1126 PolarHBondContact N-O 2.7Å; S1116-V1126 PolarHBondContact OG-N 3.48Å
1117	P	61.6	Low	62.4	Low	121 Å²	121	59.9 Å²	59.9	79%	0.786	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.2	-5.5	-167.5	25.5	-35	0	0	0	115
1118	N	53.6	Low	61.9	Low	82 Å²	82	60 Å²	60	44%	0.439	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-151.3	87.8	166.4	-170.4	-3.2	0	0	0	109.2	S1116 L1120 A1121 L1122	S1116-N1118 PolarHBondContact O-N 3.19Å; N1118-L1120 VanDerWaalsContact C-N 3.28Å; N1118-L1120 PolarHBondContact O-N 2.79Å; N1118-A1121 HydrophobicContact CB-CB 4.48Å; N1118-A1121 PolarHBondContact O-N 3.35Å; N1118-A1121 VanDerWaalsContact O-N 3.16Å; N1118-L1122 CarbonylContact O-C 3.54Å; N1118-L1122 PolarHBondContact O-N 2.95Å
1119	I	56.8	Low	60.8	Low	36 Å²	36	63.5 Å²	63.5	19%	0.185	35%	0.354	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-30.3	-167.1	-55.2	174.2	0	0	0	112.6	D1114 S1116 P1123 C1140	D1114-I1119 HydrophobicContact CB-CG2 4.45Å; S1116-I1119 VanDerWaalsContact O-CG1 3.3Å; S1116-I1119 WeakPolarHBondContact O-CG1 3.3Å; I1119-P1123 WeakPolarHBondContact O-CA 3.18Å; I1119-P1123 VanDerWaalsContact O-CB 3.29Å; I1119-P1123 WeakPolarHBondContact O-CB 3.07Å; I1119-P1123 VanDerWaalsContact O-CD 3.25Å; I1119-P1123 WeakPolarHBondContact O-CD 3.47Å; I1119-C1140 WeakPolarHBondContact CB-O 2.99Å; I1119-C1140 WeakPolarHBondContact CG2-O 3.37Å
1120	L	47.3	Very low	59.7	Low	111 Å²	111	60.1 Å²	60.1	58%	0.581	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.9	-25.9	177.3	-79.5	174.4	0	0	0	114.7	N1118 K1139 C1140	N1118-L1120 VanDerWaalsContact C-N 3.28Å; N1118-L1120 PolarHBondContact O-N 2.79Å; L1120-K1139 HydrophobicContact CD1-CB 4.39Å; L1120-C1140 HydrophobicContact CD1-CB 3.8Å; L1120-C1140 HydrophobicContact CD2-CB 3.96Å; L1120-C1140 HydrophobicContact CG-CB 3.83Å
1121	A	53.7	Low	58.7	Low	64 Å²	64	66.8 Å²	66.8	53%	0.529	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.6	-24.8	-175.9	0	0	0	0	0	113.2	N1118	N1118-A1121 HydrophobicContact CB-CB 4.48Å; N1118-A1121 PolarHBondContact O-N 3.35Å; N1118-A1121 VanDerWaalsContact O-N 3.16Å
1122	L	64.4	Low	57.3	Low	74 Å²	74	73.3 Å²	73.3	39%	0.387	40%	0.398	S	S	.	.	S	Bend	trans	-146.5	59.6	-177.3	-61.4	176.8	0	0	0	110	S1116 N1118	S1116-L1122 WeakPolarHBondContact CB-O 3.35Å; N1118-L1122 CarbonylContact O-C 3.54Å; N1118-L1122 PolarHBondContact O-N 2.95Å
1123	P	60.3	Low	55.6	Low	45 Å²	45	77.5 Å²	77.5	29%	0.292	42%	0.422	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.5	164.8	175.5	25.1	-32.5	0	0	0	111.4	C1106 I1119 R1125	C1106-P1123 VanDerWaalsContact CB-O 3.22Å; C1106-P1123 WeakPolarHBondContact CB-O 3.06Å; C1106-P1123 CarbonylContact O-C 3.57Å; C1106-P1123 VanDerWaalsContact O-C 3.22Å; C1106-P1123 WeakPolarHBondContact O-CB 3.38Å; C1106-P1123 WeakPolarHBondContact O-CG 3.28Å; I1119-P1123 WeakPolarHBondContact O-CA 3.18Å; I1119-P1123 VanDerWaalsContact O-CB 3.29Å; I1119-P1123 WeakPolarHBondContact O-CB 3.07Å; I1119-P1123 VanDerWaalsContact O-CD 3.25Å; I1119-P1123 WeakPolarHBondContact O-CD 3.47Å; P1123-R1125 VanDerWaalsContact C-N 3.32Å; P1123-R1125 PolarHBondContact O-N 3.27Å; P1123-R1125 VanDerWaalsContact O-N 3.16Å
1124	G	64.8	Low	54.2	Low	0 Å²	0	81.7 Å²	81.7	0%	0	44%	0.442	C	S	.	.	T	Hydrogen-bonded Turn	trans	69.4	3.6	166.8	0	0	0	0	0	118.8	C1091 S1092 A1095 C1106 D1114 S1116	C1091-G1124 CarbonylContact C-O 3.57Å; C1091-G1124 WeakPolarHBondContact CA-O 3.42Å; S1092-G1124 WeakPolarHBondContact CB-O 3.36Å; S1092-G1124 PolarHBondContact N-O 3.17Å; A1095-G1124 WeakPolarHBondContact CB-O 3.08Å; C1106-G1124 PolarHBondContact O-N 2.89Å; D1114-G1124 PolarHBondContact OD1-N 2.98Å; D1114-G1124 VanDerWaalsContact OD2-CA 3.31Å; D1114-G1124 WeakPolarHBondContact OD2-CA 3.25Å; D1114-G1124 PolarHBondContact OD2-N 3.21Å; S1116-G1124 PolarHBondContact OG-N 3.24Å; S1116-G1124 VanDerWaalsContact OG-N 3.13Å
1125	R	74.1	Confident	52.5	Low	46 Å²	46	89.7 Å²	89.7	17%	0.174	48%	0.476	C	S	.	.	S	Bend	trans	-78.9	-26.7	-179.9	-60.5	-177.6	-176.8	-131.2	-5.7	114.1	D1090 S1092 Y1104 S1116 P1123	D1090-R1125 WeakPolarHBondContact O-CA 3.47Å; D1090-R1125 WeakPolarHBondContact OD1-CD 3.07Å; D1090-R1125 WeakPolarHBondContact OD1-CG 3.27Å; D1090-R1125 IonicContact OD1-CZ 3.09Å; D1090-R1125 IonicContact OD1-NE 3.37Å; D1090-R1125 PolarHBondContact OD1-NE 2.02Å; D1090-R1125 VanDerWaalsContact OD1-NE 3.12Å; D1090-R1125 IonicContact OD1-NH1 3.18Å; D1090-R1125 PolarHBondContact OD1-NH1 2.83Å; D1090-R1125 IonicContact OD1-NH2 3.85Å; D1090-R1125 IonicContact OD2-CZ 2.83Å; D1090-R1125 IonicContact OD2-NH1 2.79Å; D1090-R1125 PolarHBondContact OD2-NH1 3.01Å; S1092-R1125 WeakPolarHBondContact CA-O 3.33Å; S1092-R1125 PolarHBondContact N-O 2.04Å; Y1104-R1125 PolarHBondContact O-NH2 3.45Å; Y1104-R1125 PolarHBondContact OH-NH1 3.27Å; Y1104-R1125 VanDerWaalsContact OH-NH1 3.17Å; S1116-R1125 WeakPolarHBondContact OG-CA 3.27Å; S1116-R1125 PolarHBondContact OG-N 2.83Å; P1123-R1125 VanDerWaalsContact C-N 3.32Å; P1123-R1125 PolarHBondContact O-N 3.27Å; P1123-R1125 VanDerWaalsContact O-N 3.16Å
1126	V	72.2	Confident	50.5	Low	64 Å²	64	89.6 Å²	89.6	39%	0.388	49%	0.485	S	S	.	.			trans	-136	126.1	168.9	-176.9	0	0	0	0	109.6	K1115 S1116 E1128	K1115-V1126 CarbonylContact C-O 3.58Å; K1115-V1126 HydrophobicContact CB-CG1 4.28Å; K1115-V1126 PolarHBondContact N-O 3.18Å; S1116-V1126 PolarHBondContact N-O 2.7Å; S1116-V1126 PolarHBondContact OG-N 3.48Å; V1126-E1128 HydrophobicContact CG1-CG 4.48Å
1127	C	63.3	Low	49	Very low	4 Å²	4	93.9 Å²	93.9	3%	0.027	51%	0.514	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	124.3	171.3	-21.9	0	0	0	0	111.7	S1092 N1094 C1108 F1112 V1113	S1092-C1127 WeakPolarHBondContact CB-SG 3.38Å; S1092-C1127 PolarHBondContact OG-N 3.04Å; S1092-C1127 VanDerWaalsContact OG-N 3.11Å; S1092-C1127 PolarHBondContact OG-SG 3.28Å; S1092-C1127 VanDerWaalsContact OG-SG 3.38Å; N1094-C1127 HydrophobicContact CB-CB 4.02Å; N1094-C1127 PolarHBondContact ND2-O 2.79Å; C1108-C1127 VanDerWaalsContact CA-SG 3.55Å; C1108-C1127 HydrophobicContact CB-CB 3.77Å; C1108-C1127 WeakPolarHBondContact CB-SG 3.45Å; C1108-C1127 WeakPolarHBondContact SG-CB 3.01Å; C1108-C1127 CovalentContact SG-SG 2.02Å; C1108-C1127 PolarHBondContact SG-SG 2.72Å; F1112-C1127 HydrophobicContact CB-CB 3.74Å; V1113-C1127 VanDerWaalsContact O-CA 3.25Å; V1113-C1127 WeakPolarHBondContact O-CA 3.05Å
1128	E	62.1	Low	47.3	Very low	103 Å²	103	93 Å²	93	48%	0.481	51%	0.511	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	151.1	-178.8	-64.4	-166	133.6	0	0	112.1	F1112 V1113 K1115 V1126 G1130	F1112-E1128 CarbonylContact C-O 3.52Å; F1112-E1128 WeakPolarHBondContact CA-O 3.28Å; V1113-E1128 PolarHBondContact N-O 2.97Å; V1113-E1128 PolarHBondContact O-N 3.34Å; V1113-E1128 VanDerWaalsContact O-N 3.1Å; K1115-E1128 HydrophobicContact CD-CB 4.33Å; K1115-E1128 HydrophobicContact CD-CG 4.19Å; K1115-E1128 WeakPolarHBondContact CD-OE2 3.03Å; K1115-E1128 WeakPolarHBondContact CE-OE2 3.25Å; K1115-E1128 IonicContact NZ-OE2 2.9Å; K1115-E1128 PolarHBondContact NZ-OE2 3.36Å; V1126-E1128 HydrophobicContact CG1-CG 4.48Å; E1128-G1130 PolarHBondContact O-N 2.92Å; E1128-G1130 VanDerWaalsContact O-N 3.15Å
1129	A	50.8	Low	46.1	Very low	77 Å²	77	94.6 Å²	94.6	64%	0.636	51%	0.514	S	S	*	.			trans	-80.1	95.7	178.7	0	0	0	0	0	111.1	F1112	F1112-A1129 HydrophobicContact CD1-CB 3.99Å; F1112-A1129 HydrophobicContact CE1-CB 3.96Å
1130	G	43.8	Very low	44.7	Very low	55 Å²	55	96 Å²	96	57%	0.567	53%	0.526	S	S	*	.			trans	-86.4	114.4	-171.9	0	0	0	0	0	115.1	E1128	E1128-G1130 PolarHBondContact O-N 2.92Å; E1128-G1130 VanDerWaalsContact O-N 3.15Å
1131	R	34.5	Very low	43.8	Very low	235 Å²	235	94.8 Å²	94.8	89%	0.887	53%	0.527	S	S	*	.			trans	-113.1	110.9	162.6	-100.2	-176.7	168.3	-178.8	-3.3	110.1
1132	H	27.2	Very low	43.1	Very low	179 Å²	179	96.3 Å²	96.3	83%	0.829	53%	0.526	S	S	*	.	S	Bend	trans	66.5	130.8	159.1	-97.4	-74	0	0	0	119.7
1133	I	27.5	Very low	41.4	Very low	146 Å²	146	94.8 Å²	94.8	75%	0.749	52%	0.517	S	S	*	.			trans	70.7	136.9	153.7	11.2	175.5	0	0	0	123.4
1134	L	28.8	Very low	40.3	Very low	139 Å²	139	97 Å²	97	73%	0.728	52%	0.524	S	S	*	.			trans	87.1	111.7	150.3	-62.9	161.7	0	0	0	121.8
1135	F	26.9	Very low	38.5	Very low	183 Å²	183	101.9 Å²	101.9	80%	0.803	55%	0.553	S	S	*	*			trans	71.1	131.7	139.6	-82.7	-106.5	0	0	0	124.4
1136	T	27.1	Very low	36.4	Very low	112 Å²	112	101.5 Å²	101.5	69%	0.687	56%	0.556	S	S	*	*			trans	66.5	115.6	147.7	43.9	0	0	0	0	122.8
1137	C	27.5	Very low	34.3	Very low	95 Å²	95	101.3 Å²	101.3	64%	0.642	55%	0.552	S	S	*	*			trans	53.8	142.1	136.8	-65.6	0	0	0	0	121.3
1138	S	27.9	Very low	33.1	Very low	104 Å²	104	105.2 Å²	105.2	73%	0.727	57%	0.57	S	S	*	*			cis	-162.1	156.3	-1.3	42.9	0	0	0	0	112
1139	K	28.1	Very low	31.5	Very low	115 Å²	115	105 Å²	105	50%	0.5	57%	0.569	S	S	.	*	S	Bend	trans	59.7	157.5	-171.5	-73.2	-162.4	174.2	-169.2	0	114.7	L1120 D2405	L1120-K1139 HydrophobicContact CD1-CB 4.39Å; K1139-D2405 WeakPolarHBondContact CE-OD2 2.89Å; K1139-D2405 IonicContact NZ-OD1 2.73Å; K1139-D2405 PolarHBondContact NZ-OD1 3.4Å; K1139-D2405 IonicContact NZ-OD2 2.89Å; K1139-D2405 PolarHBondContact NZ-OD2 2.78Å
1140	C	26.6	Very low	30.5	Very low	65 Å²	65	104.3 Å²	104.3	44%	0.439	56%	0.555	S	S	.	*				-89.1	133.5	-120.6	-58.6	0	0	0	0	116.5	I1119 L1120	I1119-C1140 WeakPolarHBondContact CB-O 2.99Å; I1119-C1140 WeakPolarHBondContact CG2-O 3.37Å; L1120-C1140 HydrophobicContact CD1-CB 3.8Å; L1120-C1140 HydrophobicContact CD2-CB 3.96Å; L1120-C1140 HydrophobicContact CG-CB 3.83Å
1141	S	28.6	Very low	30.2	Very low	85 Å²	85	107.1 Å²	107.1	59%	0.594	57%	0.566	S	S	*	*				44.3	118.9	129.3	-149.6	0	0	0	0	118.8
1142	L	39.2	Very low	30.6	Very low	96 Å²	96	100.6 Å²	100.6	50%	0.503	55%	0.552	S	S	.	*				-174.6	149.2	90.8	-92.2	168.4	0	0	0	111.1	D1114 E1144	D1114-L1142 WeakPolarHBondContact CB-O 3.5Å; L1142-E1144 HydrophobicContact CD2-CG 4.11Å
1143	M	28.3	Very low	31.2	Very low	42 Å²	42	93.5 Å²	93.5	21%	0.207	52%	0.522	C	S	.	.			trans	168	115.1	135.9	-92	177.7	99.8	0	0	108.6	C1108 R1109 F1112 V1113 D1114 T1146	C1108-M1143 HydrophobicContact CB-CE 3.66Å; C1108-M1143 HydrophobicContact CB-SD 3.16Å; C1108-M1143 WeakPolarHBondContact CB-SD 3.48Å; R1109-M1143 WeakPolarHBondContact O-CE 3.21Å; F1112-M1143 VanDerWaalsContact C-SD 3.57Å; F1112-M1143 HydrophobicContact CB-CE 4.33Å; F1112-M1143 WeakPolarHBondContact O-CE 3.48Å; V1113-M1143 WeakPolarHBondContact CA-SD 3.13Å; V1113-M1143 HydrophobicContact CB-CB 4.47Å; V1113-M1143 HydrophobicContact CG1-CB 4.29Å; D1114-M1143 HydrophobicContact CB-SD 4.27Å; D1114-M1143 PolarHBondContact N-SD 3.46Å; M1143-T1146 HydrophobicContact CE-CG2 4.38Å
1144	E	37.4	Very low	32.1	Very low	92 Å²	92	87.1 Å²	87.1	43%	0.43	49%	0.489	S	S	.	.			cis	64.3	127.7	46.9	-52.3	-159.8	120.7	0	0	114.9	R1107 L1142 T1146	R1107-E1144 IonicContact NH2-OE2 3.05Å; L1142-E1144 HydrophobicContact CD2-CG 4.11Å; E1144-T1146 HydrophobicContact CB-CG2 3.51Å
1145	V	27.2	Very low	33	Very low	102 Å²	102	82.8 Å²	82.8	62%	0.618	47%	0.469	S	S	*	.	S	Bend	trans	-124.2	75.2	132.1	-173.6	0	0	0	0	104.7	E1110	E1110-V1145 HydrophobicContact CB-CG1 4.1Å
1146	T	30.6	Very low	34.1	Very low	39 Å²	39	77.4 Å²	77.4	24%	0.239	45%	0.445	C	S	.	.				65.9	174.8	89.9	65.4	0	0	0	0	111.4	E1110 M1143 E1144	E1110-T1146 VanDerWaalsContact CA-OG1 3.24Å; E1110-T1146 WeakPolarHBondContact CA-OG1 3.49Å; E1110-T1146 WeakPolarHBondContact CB-OG1 3.23Å; E1110-T1146 WeakPolarHBondContact CG-OG1 3.42Å; E1110-T1146 WeakPolarHBondContact OE1-CB 3.05Å; E1110-T1146 PolarHBondContact OE1-OG1 2.92Å; M1143-T1146 HydrophobicContact CE-CG2 4.38Å; E1144-T1146 HydrophobicContact CB-CG2 3.51Å
1147	I	26.3	Very low	34.9	Very low	60 Å²	60	76.4 Å²	76.4	31%	0.308	44%	0.435	S	S	.	.			cis	-148.6	147.2	-10.2	-134.3	170.7	0	0	0	104	I1096 E1110	I1096-I1147 HydrophobicContact CD1-CD1 4.49Å; E1110-I1147 VanDerWaalsContact CD-CG2 3.4Å; E1110-I1147 HydrophobicContact CG-CB 3.71Å; E1110-I1147 HydrophobicContact CG-CD1 3.83Å; E1110-I1147 HydrophobicContact CG-CG1 4.27Å; E1110-I1147 HydrophobicContact CG-CG2 3.65Å; E1110-I1147 PolarHBondContact OE1-N 3.17Å
1148	Q	39	Very low	35.6	Very low	85 Å²	85	74 Å²	74	40%	0.397	42%	0.423	S	S	.	.			cis	-162.2	131.7	15.6	-154.9	146.5	7.6	0	0	109.4
1149	Q	27.7	Very low	36.4	Very low	98 Å²	98	76.8 Å²	76.8	46%	0.458	42%	0.418	S	S	.	.			trans	61.8	174.9	162.3	-53.5	160.6	-136.9	0	0	117.6
1150	D	30.1	Very low	37.3	Very low	63 Å²	63	73 Å²	73	34%	0.337	41%	0.406	S	S	.	.			trans	37.6	94.6	146.5	-47.3	-43	0	0	0	118.9
1151	S	37.3	Very low	38.1	Very low	114 Å²	114	70 Å²	70	80%	0.797	39%	0.386	S	S	*	.				-160.7	131.2	120.1	66	0	0	0	0	112.9
1152	V	44.3	Very low	39.1	Very low	98 Å²	98	69.4 Å²	69.4	59%	0.594	38%	0.376	S	S	*	.	S	Bend	cis	-157	134.9	-12.6	132.6	0	0	0	0	102.5
1153	C	39.2	Very low	39.5	Very low	30 Å²	30	69.1 Å²	69.1	20%	0.203	37%	0.374	C	S	.	.				-156.4	136.9	57	-118.2	0	0	0	0	109.2	L1171 P1176	C1153-L1171 HydrophobicContact CB-CB 3.66Å; C1153-L1171 HydrophobicContact CB-CD2 3.36Å; C1153-L1171 HydrophobicContact CB-CG 3.24Å; C1153-P1176 VanDerWaalsContact C-CA 3.48Å; C1153-P1176 WeakPolarHBondContact O-CA 3.19Å; C1153-P1176 VanDerWaalsContact O-CB 3.24Å; C1153-P1176 WeakPolarHBondContact O-CB 3.39Å
1154	D	45.3	Very low	40.2	Very low	12 Å²	12	68.6 Å²	68.6	6%	0.064	38%	0.375	C	S	.	.	S	Bend		66.8	99.1	124.2	-57.8	29.3	0	0	0	123.9	L1171 I1172 N1173 N1174 E1175 P1176 Q1177	D1154-L1171 CarbonylContact O-C 3.5Å; D1154-L1171 VanDerWaalsContact O-CA 3.22Å; D1154-L1171 WeakPolarHBondContact O-CA 3.21Å; D1154-I1172 VanDerWaalsContact CB-C 3.41Å; D1154-I1172 PolarHBondContact O-N 3.37Å; D1154-N1173 WeakPolarHBondContact OD2-CA 3.11Å; D1154-N1173 PolarHBondContact OD2-N 3.17Å; D1154-N1174 WeakPolarHBondContact OD1-CA 3.19Å; D1154-N1174 PolarHBondContact OD1-N 3.04Å; D1154-N1174 PolarHBondContact OD1-ND2 3.09Å; D1154-N1174 PolarHBondContact OD2-N 3.25Å; D1154-N1174 PolarHBondContact OD2-ND2 2.88Å; D1154-E1175 VanDerWaalsContact C-C 3.4Å; D1154-E1175 CarbonylContact C-O 3.55Å; D1154-E1175 WeakPolarHBondContact CA-O 3.33Å; D1154-E1175 PolarHBondContact N-O 3.32Å; D1154-E1175 VanDerWaalsContact N-O 3.15Å; D1154-P1176 VanDerWaalsContact N-N 3.14Å; D1154-P1176 CarbonylContact O-C 3.45Å; D1154-P1176 WeakPolarHBondContact O-CA 3.36Å; D1154-Q1177 WeakPolarHBondContact O-CB 3.37Å; D1154-Q1177 PolarHBondContact O-N 3.18Å
1155	V	47.7	Very low	40.6	Very low	49 Å²	49	66.4 Å²	66.4	30%	0.297	36%	0.364	S	S	.	.	S	Bend	cis	-141.1	106.8	-8.9	-173.5	0	0	0	0	117.7	I1172 E1175 P1176 Q1177	V1155-I1172 WeakPolarHBondContact CG2-O 3.29Å; V1155-E1175 VanDerWaalsContact CA-C 3.45Å; V1155-E1175 WeakPolarHBondContact CA-O 3.18Å; V1155-E1175 WeakPolarHBondContact CB-O 3.49Å; V1155-E1175 WeakPolarHBondContact CG2-O 3.25Å; V1155-E1175 PolarHBondContact N-O 2.86Å; V1155-P1176 CarbonylContact C-O 3.56Å; V1155-Q1177 VanDerWaalsContact C-CA 3.5Å; V1155-Q1177 VanDerWaalsContact C-CB 3.46Å; V1155-Q1177 HydrophobicContact CB-CB 4.21Å; V1155-Q1177 WeakPolarHBondContact O-CA 3.26Å; V1155-Q1177 WeakPolarHBondContact O-CB 3.19Å; V1155-Q1177 WeakPolarHBondContact O-CG 3.16Å
1156	K	50.5	Low	41.8	Very low	70 Å²	70	63 Å²	63	30%	0.304	34%	0.342	S	S	.	.	S	Bend	cis	-135.7	-17.2	12.7	-115	159	-179.1	59.5	0	122.4	S1160 E1175 P1176	K1156-S1160 VanDerWaalsContact C-OG 3.23Å; K1156-S1160 WeakPolarHBondContact CB-OG 3.45Å; K1156-S1160 PolarHBondContact N-O 3.37Å; K1156-E1175 WeakPolarHBondContact CE-OE1 3.49Å; K1156-E1175 WeakPolarHBondContact CE-OE2 3.44Å; K1156-E1175 HydrophobicContact CG-CB 3.96Å; K1156-E1175 IonicContact NZ-OE1 2.67Å; K1156-E1175 PolarHBondContact NZ-OE1 2.9Å; K1156-E1175 IonicContact NZ-OE2 2.94Å; K1156-E1175 PolarHBondContact NZ-OE2 3.45Å; K1156-P1176 CarbonylContact C-O 3.6Å; K1156-P1176 WeakPolarHBondContact CA-O 3.43Å; K1156-P1176 PolarHBondContact N-O 3.28Å; K1156-P1176 VanDerWaalsContact O-CD 3.29Å; K1156-P1176 WeakPolarHBondContact O-CD 3.12Å
1157	D	44.1	Very low	42.5	Very low	91 Å²	91	61.4 Å²	61.4	49%	0.487	33%	0.332	S	S	.	.	B	Isolated β-bridge	trans	-147.3	168.3	161.9	-46.9	-105.7	0	0	0	110.2	Y1159 S1160 C1161 C1169 P1176	D1157-Y1159 PolarHBondContact O-N 2.67Å; D1157-Y1159 VanDerWaalsContact O-N 3.08Å; D1157-S1160 PolarHBondContact N-O 2.87Å; D1157-S1160 PolarHBondContact N-OG 2.82Å; D1157-S1160 CarbonylContact O-C 3.59Å; D1157-S1160 PolarHBondContact O-N 3.16Å; D1157-S1160 WeakPolarHBondContact OD2-CB 3.4Å; D1157-S1160 PolarHBondContact OD2-OG 2.81Å; D1157-C1161 VanDerWaalsContact O-CB 3.25Å; D1157-C1161 WeakPolarHBondContact O-CB 3.48Å; D1157-C1161 PolarHBondContact O-SG 2.71Å; D1157-C1161 VanDerWaalsContact O-SG 3.34Å; D1157-C1169 VanDerWaalsContact C-SG 3.57Å; D1157-P1176 CarbonylContact C-O 3.6Å; D1157-P1176 WeakPolarHBondContact CA-O 3.48Å; D1157-P1176 PolarHBondContact N-O 3.08Å
1158	A	41.6	Very low	43.9	Very low	45 Å²	45	62.3 Å²	62.3	37%	0.372	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-5.7	160.2	0	0	0	0	0	112.6	C1169	A1158-C1169 WeakPolarHBondContact CA-SG 3.41Å; A1158-C1169 PolarHBondContact N-SG 3.47Å
1159	Y	44.6	Very low	44.7	Very low	161 Å²	161	59.8 Å²	59.8	63%	0.631	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-123.4	23.5	168.1	-62.9	-42.8	0	0	0	112.7	D1157 C1161 D1162 I1163	D1157-Y1159 PolarHBondContact O-N 2.67Å; D1157-Y1159 VanDerWaalsContact O-N 3.08Å; Y1159-C1161 CarbonylContact C-O 3.55Å; Y1159-C1161 WeakPolarHBondContact CA-O 3.34Å; Y1159-D1162 VanDerWaalsContact O-CA 3.31Å; Y1159-D1162 WeakPolarHBondContact O-CA 3.25Å; Y1159-I1163 HydrophobicContact CD1-CD1 3.49Å; Y1159-I1163 VanDerWaalsContact CD1-CD1 3.49Å; Y1159-I1163 HydrophobicContact CD1-CG1 3.8Å; Y1159-I1163 HydrophobicContact CD2-CD1 4.5Å; Y1159-I1163 HydrophobicContact CE1-CD1 3.71Å; Y1159-I1163 HydrophobicContact CE1-CG1 4.39Å; Y1159-I1163 HydrophobicContact CG-CD1 3.92Å; Y1159-I1163 HydrophobicContact CG-CG1 4.28Å
1160	S	47.7	Very low	45.9	Very low	36 Å²	36	62.1 Å²	62.1	25%	0.252	34%	0.336	S	S	.	.	B	Isolated β-bridge	trans	-149.2	71.1	161.3	71.8	0	0	0	0	112.8	K1156 D1157 D1162	K1156-S1160 VanDerWaalsContact C-OG 3.23Å; K1156-S1160 WeakPolarHBondContact CB-OG 3.45Å; K1156-S1160 PolarHBondContact N-O 3.37Å; D1157-S1160 PolarHBondContact N-O 2.87Å; D1157-S1160 PolarHBondContact N-OG 2.82Å; D1157-S1160 CarbonylContact O-C 3.59Å; D1157-S1160 PolarHBondContact O-N 3.16Å; D1157-S1160 WeakPolarHBondContact OD2-CB 3.4Å; D1157-S1160 PolarHBondContact OD2-OG 2.81Å; S1160-D1162 VanDerWaalsContact CA-N 3.32Å
1161	C	42.5	Very low	46.9	Very low	1 Å²	1	64.4 Å²	64.4	1%	0.007	35%	0.347	C	S	.	.	S	Bend	cis	42.2	53.7	-20.3	-47.3	0	0	0	0	118.6	D1157 Y1159 E1167 C1178 G1191 S1192	D1157-C1161 VanDerWaalsContact O-CB 3.25Å; D1157-C1161 WeakPolarHBondContact O-CB 3.48Å; D1157-C1161 PolarHBondContact O-SG 2.71Å; D1157-C1161 VanDerWaalsContact O-SG 3.34Å; Y1159-C1161 CarbonylContact C-O 3.55Å; Y1159-C1161 WeakPolarHBondContact CA-O 3.34Å; C1161-E1167 HydrophobicContact CB-CB 3.68Å; C1161-E1167 WeakPolarHBondContact SG-CB 3.35Å; C1161-C1178 PolarHBondContact N-SG 2.94Å; C1161-C1178 VanDerWaalsContact N-SG 3.45Å; C1161-C1178 PolarHBondContact SG-N 3.07Å; C1161-G1191 CarbonylContact C-O 2.79Å; C1161-G1191 VanDerWaalsContact C-O 3.23Å; C1161-G1191 VanDerWaalsContact CA-O 3.28Å; C1161-G1191 WeakPolarHBondContact CA-O 2.91Å; C1161-S1192 WeakPolarHBondContact CB-OG 3.27Å; C1161-S1192 WeakPolarHBondContact O-CB 3.45Å; C1161-S1192 PolarHBondContact O-OG 2.79Å
1162	D	49.6	Very low	47.4	Very low	73 Å²	73	62.8 Å²	62.8	39%	0.39	33%	0.329	S	S	.	.			trans	-89.9	117.1	-165.3	75.8	91.9	0	0	0	118.8	Y1159 S1160 S1164 T1190 G1191 S1192	Y1159-D1162 VanDerWaalsContact O-CA 3.31Å; Y1159-D1162 WeakPolarHBondContact O-CA 3.25Å; S1160-D1162 VanDerWaalsContact CA-N 3.32Å; D1162-S1164 PolarHBondContact O-N 2.69Å; D1162-T1190 WeakPolarHBondContact O-CB 3.45Å; D1162-T1190 WeakPolarHBondContact OD1-CA 3.5Å; D1162-T1190 WeakPolarHBondContact OD1-CB 3.43Å; D1162-G1191 PolarHBondContact N-O 2.94Å; D1162-G1191 CarbonylContact O-C 3.19Å; D1162-G1191 WeakPolarHBondContact O-CA 3.21Å; D1162-G1191 PolarHBondContact O-N 2.77Å; D1162-G1191 PolarHBondContact OD1-N 3.36Å; D1162-G1191 WeakPolarHBondContact OD2-CA 3.14Å; D1162-G1191 PolarHBondContact OD2-N 2.82Å; D1162-G1191 VanDerWaalsContact OD2-N 3.1Å; D1162-S1192 PolarHBondContact O-N 3.04Å
1163	I	49.3	Very low	47.5	Very low	91 Å²	91	64.6 Å²	64.6	47%	0.467	34%	0.335	S	S	.	.	S	Bend	trans	-37.5	52.1	-154.5	-26.6	-176	0	0	0	123.4	Y1159 S1192	Y1159-I1163 HydrophobicContact CD1-CD1 3.49Å; Y1159-I1163 VanDerWaalsContact CD1-CD1 3.49Å; Y1159-I1163 HydrophobicContact CD1-CG1 3.8Å; Y1159-I1163 HydrophobicContact CD2-CD1 4.5Å; Y1159-I1163 HydrophobicContact CE1-CD1 3.71Å; Y1159-I1163 HydrophobicContact CE1-CG1 4.39Å; Y1159-I1163 HydrophobicContact CG-CD1 3.92Å; Y1159-I1163 HydrophobicContact CG-CG1 4.28Å; I1163-S1192 CarbonylContact C-O 3.49Å; I1163-S1192 WeakPolarHBondContact CA-O 3.03Å; I1163-S1192 VanDerWaalsContact CG2-O 3.28Å; I1163-S1192 WeakPolarHBondContact CG2-O 3.48Å
1164	S	41.9	Very low	47.9	Very low	31 Å²	31	68.9 Å²	68.9	22%	0.217	36%	0.356	C	S	.	.	S	Bend	trans	-150.1	17.5	145.2	1.8	0	0	0	0	121.7	D1162 P1188 T1190 S1192 C1193	D1162-S1164 PolarHBondContact O-N 2.69Å; S1164-P1188 VanDerWaalsContact O-CD 3.25Å; S1164-P1188 WeakPolarHBondContact O-CD 3.45Å; S1164-T1190 VanDerWaalsContact CA-OG1 3.29Å; S1164-T1190 WeakPolarHBondContact CA-OG1 3.37Å; S1164-T1190 WeakPolarHBondContact CB-OG1 3.16Å; S1164-T1190 PolarHBondContact N-OG1 3.36Å; S1164-T1190 WeakPolarHBondContact OG-CB 3.5Å; S1164-T1190 PolarHBondContact OG-OG1 3.05Å; S1164-S1192 WeakPolarHBondContact CA-O 3.01Å; S1164-S1192 VanDerWaalsContact N-N 3.11Å; S1164-S1192 PolarHBondContact N-O 3.13Å; S1164-C1193 VanDerWaalsContact C-N 3.26Å
1165	K	45.5	Very low	47.8	Very low	45 Å²	45	71.1 Å²	71.1	20%	0.196	37%	0.366	C	S	.	.	S	Bend	trans	-139.6	63	172.2	-49.1	-169.5	-166.7	128.4	0	118.9	E1167 C1180 R1186 E1187 T1190 G1191 C1193	K1165-E1167 WeakPolarHBondContact O-CG 3.39Å; K1165-C1180 PolarHBondContact O-SG 3.12Å; K1165-R1186 HydrophobicContact CB-CB 3.8Å; K1165-R1186 HydrophobicContact CB-CG 4.08Å; K1165-R1186 HydrophobicContact CD-CB 3.88Å; K1165-R1186 HydrophobicContact CG-CB 4.33Å; K1165-R1186 WeakPolarHBondContact O-CG 3.3Å; K1165-R1186 PolarHBondContact O-NE 3.47Å; K1165-R1186 VanDerWaalsContact O-NE 3.09Å; K1165-E1187 WeakPolarHBondContact CD-O 3.29Å; K1165-E1187 VanDerWaalsContact CE-C 3.49Å; K1165-E1187 WeakPolarHBondContact CE-O 3.42Å; K1165-T1190 WeakPolarHBondContact CD-O 3.28Å; K1165-T1190 WeakPolarHBondContact CE-O 3.48Å; K1165-T1190 PolarHBondContact NZ-O 3.19Å; K1165-G1191 VanDerWaalsContact C-C 3.49Å; K1165-G1191 CarbonylContact C-O 3.56Å; K1165-G1191 VanDerWaalsContact C-O 3.27Å; K1165-G1191 CarbonylContact O-C 3.35Å; K1165-C1193 VanDerWaalsContact CA-N 3.34Å
1166	N	53.3	Low	47.6	Very low	30 Å²	30	69.7 Å²	69.7	16%	0.16	36%	0.358	C	S	.	.			trans	85	-104.4	-165.6	-75	109.3	0	0	0	114.4	C1180 P1181 S1192 C1193 T1194	N1166-C1180 WeakPolarHBondContact CA-SG 3.03Å; N1166-C1180 HydrophobicContact CB-CB 3.39Å; N1166-C1180 WeakPolarHBondContact CB-SG 3.34Å; N1166-C1180 PolarHBondContact N-SG 3.28Å; N1166-P1181 HydrophobicContact CB-CG 3.75Å; N1166-S1192 VanDerWaalsContact C-C 3.46Å; N1166-S1192 VanDerWaalsContact C-CB 3.47Å; N1166-S1192 CarbonylContact O-C 3.45Å; N1166-S1192 WeakPolarHBondContact O-CA 3.47Å; N1166-S1192 WeakPolarHBondContact O-CB 3.33Å; N1166-S1192 PolarHBondContact O-OG 3.4Å; N1166-C1193 WeakPolarHBondContact CA-SG 3.12Å; N1166-C1193 HydrophobicContact CB-CB 3.82Å; N1166-C1193 WeakPolarHBondContact CB-SG 3.25Å; N1166-C1193 PolarHBondContact N-SG 3.47Å; N1166-C1193 PolarHBondContact ND2-O 3.38Å; N1166-C1193 PolarHBondContact O-N 2.74Å; N1166-C1193 WeakPolarHBondContact OD1-CA 3.2Å; N1166-C1193 WeakPolarHBondContact OD1-CB 3.09Å; N1166-C1193 PolarHBondContact OD1-O 3.35Å; N1166-C1193 VanDerWaalsContact OD1-O 3.12Å; N1166-C1193 PolarHBondContact OD1-SG 2.82Å; N1166-T1194 PolarHBondContact OD1-N 2.87Å; N1166-T1194 VanDerWaalsContact OD1-N 3.15Å
1167	E	45.9	Very low	47.6	Very low	7 Å²	7	69.2 Å²	69.2	3%	0.033	36%	0.357	C	S	.	.			cis	-115	167.3	-50	-63.6	-172	127.9	0	0	104.3	C1161 K1165 C1178 T1179 R1186 G1191 S1192	C1161-E1167 HydrophobicContact CB-CB 3.68Å; C1161-E1167 WeakPolarHBondContact SG-CB 3.35Å; K1165-E1167 WeakPolarHBondContact O-CG 3.39Å; E1167-C1178 VanDerWaalsContact CD-C 3.46Å; E1167-C1178 VanDerWaalsContact OE1-C 3.32Å; E1167-C1178 WeakPolarHBondContact OE2-CB 3.12Å; E1167-C1178 PolarHBondContact OE2-SG 2.83Å; E1167-T1179 WeakPolarHBondContact CA-O 3.39Å; E1167-T1179 WeakPolarHBondContact CB-O 3.32Å; E1167-T1179 VanDerWaalsContact CD-CA 3.48Å; E1167-T1179 WeakPolarHBondContact CG-O 3.31Å; E1167-T1179 WeakPolarHBondContact OE1-CA 3.12Å; E1167-T1179 PolarHBondContact OE1-N 2.9Å; E1167-R1186 WeakPolarHBondContact OE1-CD 3.36Å; E1167-R1186 IonicContact OE1-CZ 3.34Å; E1167-R1186 IonicContact OE1-NE 2.68Å; E1167-R1186 PolarHBondContact OE1-NE 3.14Å; E1167-R1186 VanDerWaalsContact OE1-NE 3.16Å; E1167-R1186 IonicContact OE1-NH1 3.75Å; E1167-R1186 PolarHBondContact OE1-NH1 3.01Å; E1167-R1186 IonicContact OE1-NH2 2.78Å; E1167-R1186 PolarHBondContact OE1-NH2 3.32Å; E1167-R1186 IonicContact OE2-CZ 2.99Å; E1167-R1186 IonicContact OE2-NE 3.27Å; E1167-R1186 IonicContact OE2-NH1 2.77Å; E1167-R1186 PolarHBondContact OE2-NH1 3.11Å; E1167-R1186 IonicContact OE2-NH2 3.67Å; E1167-R1186 PolarHBondContact OE2-NH2 3.36Å; E1167-G1191 WeakPolarHBondContact CG-O 3.33Å; E1167-S1192 PolarHBondContact N-OG 2.94Å; E1167-S1192 PolarHBondContact O-OG 3.1Å
1168	V	54.5	Low	48.3	Very low	79 Å²	79	66.1 Å²	66.1	48%	0.479	34%	0.342	S	S	.	.			trans	-113.6	117.4	164.7	-146	0	0	0	0	106.3	R1170 T1179 P1181	V1168-R1170 VanDerWaalsContact O-CB 3.23Å; V1168-R1170 WeakPolarHBondContact O-CB 3.48Å; V1168-R1170 VanDerWaalsContact O-CG 3.28Å; V1168-R1170 WeakPolarHBondContact O-CG 3.34Å; V1168-R1170 PolarHBondContact O-N 3.09Å; V1168-T1179 PolarHBondContact N-O 2.04Å; V1168-P1181 HydrophobicContact CG2-CG 3.71Å
1169	C	57	Low	49.3	Very low	31 Å²	31	66.4 Å²	66.4	21%	0.209	34%	0.339	C	S	.	.			trans	-64.2	125.2	166.8	83.4	0	0	0	0	107.6	D1157 A1158 P1176	D1157-C1169 VanDerWaalsContact C-SG 3.57Å; A1158-C1169 WeakPolarHBondContact CA-SG 3.41Å; A1158-C1169 PolarHBondContact N-SG 3.47Å; C1169-P1176 VanDerWaalsContact CB-C 3.5Å; C1169-P1176 HydrophobicContact CB-CB 3.92Å; C1169-P1176 WeakPolarHBondContact CB-O 3.3Å; C1169-P1176 WeakPolarHBondContact SG-CB 3.47Å
1170	R	52.9	Low	50	Low	148 Å²	148	59.5 Å²	59.5	56%	0.558	31%	0.314	S	S	*	.	B	Isolated β-bridge	cis	64.6	146.6	12.7	-63.2	179.9	174.8	-161.5	-4.1	115.8	V1168 Q1177 T1179	V1168-R1170 VanDerWaalsContact O-CB 3.23Å; V1168-R1170 WeakPolarHBondContact O-CB 3.48Å; V1168-R1170 VanDerWaalsContact O-CG 3.28Å; V1168-R1170 WeakPolarHBondContact O-CG 3.34Å; V1168-R1170 PolarHBondContact O-N 3.09Å; R1170-Q1177 CarbonylContact C-O 3.24Å; R1170-Q1177 VanDerWaalsContact CA-O 3.26Å; R1170-Q1177 WeakPolarHBondContact CA-O 3.2Å; R1170-Q1177 WeakPolarHBondContact CB-O 3.3Å; R1170-Q1177 CarbonylContact O-C 3.53Å; R1170-Q1177 PolarHBondContact O-N 2.82Å; R1170-Q1177 VanDerWaalsContact O-O 3.05Å; R1170-T1179 WeakPolarHBondContact CD-OG1 3.29Å; R1170-T1179 PolarHBondContact NH1-OG1 3.07Å
1171	L	50.8	Low	50.4	Low	110 Å²	110	60.5 Å²	60.5	58%	0.576	32%	0.32	S	S	*	.			trans	-147.7	96	-138.2	-77.1	75.9	0	0	0	112.8	C1153 D1154 Q1177	C1153-L1171 HydrophobicContact CB-CB 3.66Å; C1153-L1171 HydrophobicContact CB-CD2 3.36Å; C1153-L1171 HydrophobicContact CB-CG 3.24Å; D1154-L1171 CarbonylContact O-C 3.5Å; D1154-L1171 VanDerWaalsContact O-CA 3.22Å; D1154-L1171 WeakPolarHBondContact O-CA 3.21Å; L1171-Q1177 PolarHBondContact N-O 2.62Å
1172	I	46.9	Very low	51	Low	81 Å²	81	65.4 Å²	65.4	42%	0.415	34%	0.343	S	S	.	.	S	Bend	trans	-142.9	76.3	-172.3	-44.9	-174.9	0	0	0	116	D1154 V1155 Q1177	D1154-I1172 VanDerWaalsContact CB-C 3.41Å; D1154-I1172 PolarHBondContact O-N 3.37Å; V1155-I1172 WeakPolarHBondContact CG2-O 3.29Å; I1172-Q1177 HydrophobicContact CB-CB 4.33Å; I1172-Q1177 HydrophobicContact CB-CG 4.43Å; I1172-Q1177 HydrophobicContact CD1-CB 4.48Å; I1172-Q1177 HydrophobicContact CD1-CG 3.97Å; I1172-Q1177 HydrophobicContact CG1-CB 4.33Å; I1172-Q1177 HydrophobicContact CG1-CG 4.32Å
1173	N	47	Very low	51.1	Low	136 Å²	136	66.7 Å²	66.7	73%	0.727	35%	0.348	S	S	*	.	S	Bend	trans	78.1	57.6	175.4	-40.5	-77.6	0	0	0	124.9	D1154	D1154-N1173 WeakPolarHBondContact OD2-CA 3.11Å; D1154-N1173 PolarHBondContact OD2-N 3.17Å
1174	N	47.5	Very low	50.8	Low	120 Å²	120	63.1 Å²	63.1	64%	0.642	33%	0.329	S	S	*	.	S	Bend	trans	84.1	24.4	156.1	-82	-114.9	0	0	0	127.2	D1154	D1154-N1174 WeakPolarHBondContact OD1-CA 3.19Å; D1154-N1174 PolarHBondContact OD1-N 3.04Å; D1154-N1174 PolarHBondContact OD1-ND2 3.09Å; D1154-N1174 PolarHBondContact OD2-N 3.25Å; D1154-N1174 PolarHBondContact OD2-ND2 2.88Å
1175	E	43.4	Very low	51.1	Low	58 Å²	58	65.8 Å²	65.8	27%	0.271	34%	0.338	S	S	.	.	S	Bend	trans	-165.5	0	157.2	-55.9	168.9	67.7	0	0	105.3	D1154 V1155 K1156	D1154-E1175 VanDerWaalsContact C-C 3.4Å; D1154-E1175 CarbonylContact C-O 3.55Å; D1154-E1175 WeakPolarHBondContact CA-O 3.33Å; D1154-E1175 PolarHBondContact N-O 3.32Å; D1154-E1175 VanDerWaalsContact N-O 3.15Å; V1155-E1175 VanDerWaalsContact CA-C 3.45Å; V1155-E1175 WeakPolarHBondContact CA-O 3.18Å; V1155-E1175 WeakPolarHBondContact CB-O 3.49Å; V1155-E1175 WeakPolarHBondContact CG2-O 3.25Å; V1155-E1175 PolarHBondContact N-O 2.86Å; K1156-E1175 WeakPolarHBondContact CE-OE1 3.49Å; K1156-E1175 WeakPolarHBondContact CE-OE2 3.44Å; K1156-E1175 HydrophobicContact CG-CB 3.96Å; K1156-E1175 IonicContact NZ-OE1 2.67Å; K1156-E1175 PolarHBondContact NZ-OE1 2.9Å; K1156-E1175 IonicContact NZ-OE2 2.94Å; K1156-E1175 PolarHBondContact NZ-OE2 3.45Å
1176	P	43.6	Very low	51.4	Low	20 Å²	20	68.6 Å²	68.6	13%	0.13	35%	0.347	C	S	.	.				0	127.1	0	-20.8	36.8	0	0	0	134.8	C1153 D1154 V1155 K1156 D1157 C1169	C1153-P1176 VanDerWaalsContact C-CA 3.48Å; C1153-P1176 WeakPolarHBondContact O-CA 3.19Å; C1153-P1176 VanDerWaalsContact O-CB 3.24Å; C1153-P1176 WeakPolarHBondContact O-CB 3.39Å; D1154-P1176 VanDerWaalsContact N-N 3.14Å; D1154-P1176 CarbonylContact O-C 3.45Å; D1154-P1176 WeakPolarHBondContact O-CA 3.36Å; V1155-P1176 CarbonylContact C-O 3.56Å; K1156-P1176 CarbonylContact C-O 3.6Å; K1156-P1176 WeakPolarHBondContact CA-O 3.43Å; K1156-P1176 PolarHBondContact N-O 3.28Å; K1156-P1176 VanDerWaalsContact O-CD 3.29Å; K1156-P1176 WeakPolarHBondContact O-CD 3.12Å; D1157-P1176 CarbonylContact C-O 3.6Å; D1157-P1176 WeakPolarHBondContact CA-O 3.48Å; D1157-P1176 PolarHBondContact N-O 3.08Å; C1169-P1176 VanDerWaalsContact CB-C 3.5Å; C1169-P1176 HydrophobicContact CB-CB 3.92Å; C1169-P1176 WeakPolarHBondContact CB-O 3.3Å; C1169-P1176 WeakPolarHBondContact SG-CB 3.47Å
1177	Q	50.9	Low	50.4	Low	60 Å²	60	72.2 Å²	72.2	28%	0.28	36%	0.363	S	S	.	.	B	Isolated β-bridge	trans	-131.6	134	-161.4	-174.5	165.2	-8.9	0	0	121.5	D1154 V1155 R1170 L1171 I1172	D1154-Q1177 WeakPolarHBondContact O-CB 3.37Å; D1154-Q1177 PolarHBondContact O-N 3.18Å; V1155-Q1177 VanDerWaalsContact C-CA 3.5Å; V1155-Q1177 VanDerWaalsContact C-CB 3.46Å; V1155-Q1177 HydrophobicContact CB-CB 4.21Å; V1155-Q1177 WeakPolarHBondContact O-CA 3.26Å; V1155-Q1177 WeakPolarHBondContact O-CB 3.19Å; V1155-Q1177 WeakPolarHBondContact O-CG 3.16Å; R1170-Q1177 CarbonylContact C-O 3.24Å; R1170-Q1177 VanDerWaalsContact CA-O 3.26Å; R1170-Q1177 WeakPolarHBondContact CA-O 3.2Å; R1170-Q1177 WeakPolarHBondContact CB-O 3.3Å; R1170-Q1177 CarbonylContact O-C 3.53Å; R1170-Q1177 PolarHBondContact O-N 2.82Å; R1170-Q1177 VanDerWaalsContact O-O 3.05Å; L1171-Q1177 PolarHBondContact N-O 2.62Å; I1172-Q1177 HydrophobicContact CB-CB 4.33Å; I1172-Q1177 HydrophobicContact CB-CG 4.43Å; I1172-Q1177 HydrophobicContact CD1-CB 4.48Å; I1172-Q1177 HydrophobicContact CD1-CG 3.97Å; I1172-Q1177 HydrophobicContact CG1-CB 4.33Å; I1172-Q1177 HydrophobicContact CG1-CG 4.32Å
1178	C	59	Low	50.3	Low	26 Å²	26	74.4 Å²	74.4	18%	0.176	38%	0.378	C	S	.	.				123.4	15.5	108.1	-8.4	0	0	0	0	131.1	C1161 E1167	C1161-C1178 PolarHBondContact N-SG 2.94Å; C1161-C1178 VanDerWaalsContact N-SG 3.45Å; C1161-C1178 PolarHBondContact SG-N 3.07Å; E1167-C1178 VanDerWaalsContact CD-C 3.46Å; E1167-C1178 VanDerWaalsContact OE1-C 3.32Å; E1167-C1178 WeakPolarHBondContact OE2-CB 3.12Å; E1167-C1178 PolarHBondContact OE2-SG 2.83Å
1179	T	60.7	Low	49.9	Very low	50 Å²	50	78.2 Å²	78.2	31%	0.307	40%	0.395	S	S	.	.			trans	-152.2	145.5	167.3	61	0	0	0	0	116.3	E1167 V1168 R1170 P1181	E1167-T1179 WeakPolarHBondContact CA-O 3.39Å; E1167-T1179 WeakPolarHBondContact CB-O 3.32Å; E1167-T1179 VanDerWaalsContact CD-CA 3.48Å; E1167-T1179 WeakPolarHBondContact CG-O 3.31Å; E1167-T1179 WeakPolarHBondContact OE1-CA 3.12Å; E1167-T1179 PolarHBondContact OE1-N 2.9Å; V1168-T1179 PolarHBondContact N-O 2.04Å; R1170-T1179 WeakPolarHBondContact CD-OG1 3.29Å; R1170-T1179 PolarHBondContact NH1-OG1 3.07Å; T1179-P1181 WeakPolarHBondContact O-CD 3.31Å
1180	C	59.7	Low	49.6	Very low	16 Å²	16	78.5 Å²	78.5	11%	0.108	40%	0.396	C	S	.	.			trans	-61.2	135.8	170.8	-84.9	0	0	0	0	109.5	K1165 N1166 Y1184 E1185 C1193	K1165-C1180 PolarHBondContact O-SG 3.12Å; N1166-C1180 WeakPolarHBondContact CA-SG 3.03Å; N1166-C1180 HydrophobicContact CB-CB 3.39Å; N1166-C1180 WeakPolarHBondContact CB-SG 3.34Å; N1166-C1180 PolarHBondContact N-SG 3.28Å; C1180-Y1184 WeakPolarHBondContact CB-O 3.16Å; C1180-Y1184 VanDerWaalsContact SG-C 3.53Å; C1180-E1185 VanDerWaalsContact CB-N 3.31Å; C1180-E1185 WeakPolarHBondContact SG-CA 3.05Å; C1180-E1185 PolarHBondContact SG-N 2.04Å; C1180-C1193 WeakPolarHBondContact CB-SG 3.38Å; C1180-C1193 CovalentContact SG-SG 2.19Å; C1180-C1193 PolarHBondContact SG-SG 2.69Å
1181	P	57.1	Low	49.5	Very low	57 Å²	57	71.5 Å²	71.5	37%	0.37	37%	0.37	S	S	.	.			trans	-71.4	132.1	145.2	13.1	-33.5	0	0	0	111.4	N1166 V1168 T1179 M1183	N1166-P1181 HydrophobicContact CB-CG 3.75Å; V1168-P1181 HydrophobicContact CG2-CG 3.71Å; T1179-P1181 WeakPolarHBondContact O-CD 3.31Å; P1181-M1183 PolarHBondContact O-N 3.06Å
1182	E	53.7	Low	49	Very low	104 Å²	104	66.4 Å²	66.4	49%	0.486	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53	111.6	-170	-56.5	164.1	127.2	0	0	114.6	K945	K945-E1182 IonicContact NZ-OE1 3.57Å; K945-E1182 IonicContact NZ-OE2 2.81Å; K945-E1182 PolarHBondContact NZ-OE2 3.34Å
1183	M	51.9	Low	49	Very low	101 Å²	101	62.6 Å²	62.6	50%	0.498	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn		179.6	-13.8	124.8	-95.7	-83.8	-84.1	0	0	112.8	P1181 I1196 L1204	P1181-M1183 PolarHBondContact O-N 3.06Å; M1183-I1196 HydrophobicContact CB-CB 4.16Å; M1183-I1196 HydrophobicContact CB-CD1 3.5Å; M1183-I1196 VanDerWaalsContact CB-CD1 3.5Å; M1183-I1196 HydrophobicContact CB-CG1 3.46Å; M1183-I1196 VanDerWaalsContact CB-CG1 3.46Å; M1183-I1196 HydrophobicContact CB-CG2 3.89Å; M1183-I1196 HydrophobicContact CE-CD1 4.45Å; M1183-I1196 HydrophobicContact CE-CG2 4.01Å; M1183-I1196 HydrophobicContact CG-CD1 4.22Å; M1183-L1204 HydrophobicContact CE-CD1 3.87Å; M1183-L1204 HydrophobicContact CE-CD2 3.92Å
1184	Y	43.9	Very low	49.1	Very low	16 Å²	16	59.4 Å²	59.4	6%	0.063	31%	0.31	C	S	.	.				-105.3	161.5	119.6	-99.7	-71.6	0	0	0	105.2	C1180 E1187 C1193 V1195 N1197 L1200	C1180-Y1184 WeakPolarHBondContact CB-O 3.16Å; C1180-Y1184 VanDerWaalsContact SG-C 3.53Å; Y1184-E1187 HydrophobicContact CD1-CB 4.37Å; Y1184-E1187 HydrophobicContact CE1-CB 3.63Å; Y1184-E1187 HydrophobicContact CE1-CG 4.49Å; Y1184-E1187 WeakPolarHBondContact CE1-OE2 3.3Å; Y1184-E1187 PolarHBondContact OH-OE2 3Å; Y1184-C1193 WeakPolarHBondContact CB-SG 3.41Å; Y1184-C1193 PolarHBondContact O-SG 2.98Å; Y1184-V1195 WeakPolarHBondContact CB-O 3.5Å; Y1184-V1195 HydrophobicContact CD2-CB 3.67Å; Y1184-V1195 HydrophobicContact CD2-CG1 4.28Å; Y1184-V1195 HydrophobicContact CD2-CG2 4.41Å; Y1184-V1195 VanDerWaalsContact CD2-O 3.32Å; Y1184-V1195 WeakPolarHBondContact CD2-O 3.41Å; Y1184-V1195 HydrophobicContact CE2-CB 3.67Å; Y1184-V1195 HydrophobicContact CE2-CG1 3.82Å; Y1184-V1195 HydrophobicContact CE2-CG2 4.37Å; Y1184-N1197 HydrophobicContact CD2-CB 3.81Å; Y1184-N1197 HydrophobicContact CE1-CB 4.32Å; Y1184-N1197 HydrophobicContact CE2-CB 3.32Å; Y1184-N1197 PolarHBondContact OH-ND2 3.13Å; Y1184-L1200 HydrophobicContact CE1-CD1 3.94Å
1185	E	48.6	Very low	49.3	Very low	87 Å²	87	54.1 Å²	54.1	41%	0.407	28%	0.282	S	S	.	.			cis	70.3	121.8	10.2	-59.1	-46.8	101.9	0	0	122.9	D960 C1180 E1187	D960-E1185 HydrophobicContact CB-CG 4.3Å; C1180-E1185 VanDerWaalsContact CB-N 3.31Å; C1180-E1185 WeakPolarHBondContact SG-CA 3.05Å; C1180-E1185 PolarHBondContact SG-N 2.04Å; E1185-E1187 PolarHBondContact O-N 3.05Å; E1185-E1187 VanDerWaalsContact O-N 3.13Å
1186	R	51.8	Low	49.5	Very low	103 Å²	103	53.9 Å²	53.9	39%	0.389	28%	0.282	S	S	.	.	S	Bend	trans	-76.1	104.6	-158	-66.3	-155.2	81.8	151.9	-160.3	113.4	K1165 E1167 G1191	K1165-R1186 HydrophobicContact CB-CB 3.8Å; K1165-R1186 HydrophobicContact CB-CG 4.08Å; K1165-R1186 HydrophobicContact CD-CB 3.88Å; K1165-R1186 HydrophobicContact CG-CB 4.33Å; K1165-R1186 WeakPolarHBondContact O-CG 3.3Å; K1165-R1186 PolarHBondContact O-NE 3.47Å; K1165-R1186 VanDerWaalsContact O-NE 3.09Å; E1167-R1186 WeakPolarHBondContact OE1-CD 3.36Å; E1167-R1186 IonicContact OE1-CZ 3.34Å; E1167-R1186 IonicContact OE1-NE 2.68Å; E1167-R1186 PolarHBondContact OE1-NE 3.14Å; E1167-R1186 VanDerWaalsContact OE1-NE 3.16Å; E1167-R1186 IonicContact OE1-NH1 3.75Å; E1167-R1186 PolarHBondContact OE1-NH1 3.01Å; E1167-R1186 IonicContact OE1-NH2 2.78Å; E1167-R1186 PolarHBondContact OE1-NH2 3.32Å; E1167-R1186 IonicContact OE2-CZ 2.99Å; E1167-R1186 IonicContact OE2-NE 3.27Å; E1167-R1186 IonicContact OE2-NH1 2.77Å; E1167-R1186 PolarHBondContact OE2-NH1 3.11Å; E1167-R1186 IonicContact OE2-NH2 3.67Å; E1167-R1186 PolarHBondContact OE2-NH2 3.36Å; R1186-G1191 VanDerWaalsContact NH1-CA 3.31Å; R1186-G1191 PolarHBondContact NH1-O 2.68Å
1187	E	32.7	Very low	50	Low	106 Å²	106	53.9 Å²	53.9	50%	0.495	28%	0.281	S	S	.	.			trans	-112.8	-89.7	179	-160.6	163.5	-121.1	0	0	120.4	K1165 Y1184 E1185 N1189	K1165-E1187 WeakPolarHBondContact CD-O 3.29Å; K1165-E1187 VanDerWaalsContact CE-C 3.49Å; K1165-E1187 WeakPolarHBondContact CE-O 3.42Å; Y1184-E1187 HydrophobicContact CD1-CB 4.37Å; Y1184-E1187 HydrophobicContact CE1-CB 3.63Å; Y1184-E1187 HydrophobicContact CE1-CG 4.49Å; Y1184-E1187 WeakPolarHBondContact CE1-OE2 3.3Å; Y1184-E1187 PolarHBondContact OH-OE2 3Å; E1185-E1187 PolarHBondContact O-N 3.05Å; E1185-E1187 VanDerWaalsContact O-N 3.13Å; E1187-N1189 PolarHBondContact O-N 3.11Å
1188	P	43.6	Very low	50.5	Low	53 Å²	53	52.2 Å²	52.2	34%	0.344	27%	0.273	S	S	.	.	S	Bend	trans	-87.8	81.7	-142.9	-12.1	31.4	0	0	0	114.6	S1164 T1190	S1164-P1188 VanDerWaalsContact O-CD 3.25Å; S1164-P1188 WeakPolarHBondContact O-CD 3.45Å; P1188-T1190 WeakPolarHBondContact O-CG2 3.27Å; P1188-T1190 PolarHBondContact O-N 2.91Å; P1188-T1190 PolarHBondContact O-OG1 2.96Å
1189	N	44.9	Very low	50.6	Low	159 Å²	159	52.6 Å²	52.6	85%	0.85	28%	0.276	S	S	*	.	S	Bend	trans	67.3	-4.5	170.4	-41	-80	0	0	0	116.7	E1187	E1187-N1189 PolarHBondContact O-N 3.11Å
1190	T	50.6	Low	50.5	Low	38 Å²	38	55.8 Å²	55.8	23%	0.233	29%	0.29	C	S	.	.	S	Bend	trans	-114.9	-132.6	-170.2	50.8	0	0	0	0	113.2	D1162 S1164 K1165 P1188	D1162-T1190 WeakPolarHBondContact O-CB 3.45Å; D1162-T1190 WeakPolarHBondContact OD1-CA 3.5Å; D1162-T1190 WeakPolarHBondContact OD1-CB 3.43Å; S1164-T1190 VanDerWaalsContact CA-OG1 3.29Å; S1164-T1190 WeakPolarHBondContact CA-OG1 3.37Å; S1164-T1190 WeakPolarHBondContact CB-OG1 3.16Å; S1164-T1190 PolarHBondContact N-OG1 3.36Å; S1164-T1190 WeakPolarHBondContact OG-CB 3.5Å; S1164-T1190 PolarHBondContact OG-OG1 3.05Å; K1165-T1190 WeakPolarHBondContact CD-O 3.28Å; K1165-T1190 WeakPolarHBondContact CE-O 3.48Å; K1165-T1190 PolarHBondContact NZ-O 3.19Å; P1188-T1190 WeakPolarHBondContact O-CG2 3.27Å; P1188-T1190 PolarHBondContact O-N 2.91Å; P1188-T1190 PolarHBondContact O-OG1 2.96Å
1191	G	50.7	Low	50.1	Low	0 Å²	0	60.1 Å²	60.1	0%	0	30%	0.304	C	S	.	.	S	Bend	trans	-163.8	-15.5	-168.6	0	0	0	0	0	122	C1161 D1162 K1165 E1167 R1186	C1161-G1191 CarbonylContact C-O 2.79Å; C1161-G1191 VanDerWaalsContact C-O 3.23Å; C1161-G1191 VanDerWaalsContact CA-O 3.28Å; C1161-G1191 WeakPolarHBondContact CA-O 2.91Å; D1162-G1191 PolarHBondContact N-O 2.94Å; D1162-G1191 CarbonylContact O-C 3.19Å; D1162-G1191 WeakPolarHBondContact O-CA 3.21Å; D1162-G1191 PolarHBondContact O-N 2.77Å; D1162-G1191 PolarHBondContact OD1-N 3.36Å; D1162-G1191 WeakPolarHBondContact OD2-CA 3.14Å; D1162-G1191 PolarHBondContact OD2-N 2.82Å; D1162-G1191 VanDerWaalsContact OD2-N 3.1Å; K1165-G1191 VanDerWaalsContact C-C 3.49Å; K1165-G1191 CarbonylContact C-O 3.56Å; K1165-G1191 VanDerWaalsContact C-O 3.27Å; K1165-G1191 CarbonylContact O-C 3.35Å; E1167-G1191 WeakPolarHBondContact CG-O 3.33Å; R1186-G1191 VanDerWaalsContact NH1-CA 3.31Å; R1186-G1191 PolarHBondContact NH1-O 2.68Å
1192	S	42	Very low	49.7	Very low	4 Å²	4	62.3 Å²	62.3	3%	0.028	32%	0.321	C	S	.	.			trans	-132.7	98.5	171.5	-92.4	0	0	0	0	120.1	C1161 D1162 I1163 S1164 N1166 E1167	C1161-S1192 WeakPolarHBondContact CB-OG 3.27Å; C1161-S1192 WeakPolarHBondContact O-CB 3.45Å; C1161-S1192 PolarHBondContact O-OG 2.79Å; D1162-S1192 PolarHBondContact O-N 3.04Å; I1163-S1192 CarbonylContact C-O 3.49Å; I1163-S1192 WeakPolarHBondContact CA-O 3.03Å; I1163-S1192 VanDerWaalsContact CG2-O 3.28Å; I1163-S1192 WeakPolarHBondContact CG2-O 3.48Å; S1164-S1192 WeakPolarHBondContact CA-O 3.01Å; S1164-S1192 VanDerWaalsContact N-N 3.11Å; S1164-S1192 PolarHBondContact N-O 3.13Å; N1166-S1192 VanDerWaalsContact C-C 3.46Å; N1166-S1192 VanDerWaalsContact C-CB 3.47Å; N1166-S1192 CarbonylContact O-C 3.45Å; N1166-S1192 WeakPolarHBondContact O-CA 3.47Å; N1166-S1192 WeakPolarHBondContact O-CB 3.33Å; N1166-S1192 PolarHBondContact O-OG 3.4Å; E1167-S1192 PolarHBondContact N-OG 2.94Å; E1167-S1192 PolarHBondContact O-OG 3.1Å
1193	C	46.3	Very low	49.8	Very low	1 Å²	1	63.7 Å²	63.7	1%	0.007	33%	0.327	C	S	.	.			trans	-70.2	166.9	-175.1	70.4	0	0	0	0	106.2	S1164 K1165 N1166 C1180 Y1184 V1195	S1164-C1193 VanDerWaalsContact C-N 3.26Å; K1165-C1193 VanDerWaalsContact CA-N 3.34Å; N1166-C1193 WeakPolarHBondContact CA-SG 3.12Å; N1166-C1193 HydrophobicContact CB-CB 3.82Å; N1166-C1193 WeakPolarHBondContact CB-SG 3.25Å; N1166-C1193 PolarHBondContact N-SG 3.47Å; N1166-C1193 PolarHBondContact ND2-O 3.38Å; N1166-C1193 PolarHBondContact O-N 2.74Å; N1166-C1193 WeakPolarHBondContact OD1-CA 3.2Å; N1166-C1193 WeakPolarHBondContact OD1-CB 3.09Å; N1166-C1193 PolarHBondContact OD1-O 3.35Å; N1166-C1193 VanDerWaalsContact OD1-O 3.12Å; N1166-C1193 PolarHBondContact OD1-SG 2.82Å; C1180-C1193 WeakPolarHBondContact CB-SG 3.38Å; C1180-C1193 CovalentContact SG-SG 2.19Å; C1180-C1193 PolarHBondContact SG-SG 2.69Å; Y1184-C1193 WeakPolarHBondContact CB-SG 3.41Å; Y1184-C1193 PolarHBondContact O-SG 2.98Å; C1193-V1195 HydrophobicContact CB-CG2 4.25Å
1194	T	48.2	Very low	49.9	Very low	69 Å²	69	61.5 Å²	61.5	42%	0.423	32%	0.317	S	S	.	.			trans	168.7	-39.7	-164.4	22.9	0	0	0	0	105.9	N1166 I1196 T1217	N1166-T1194 PolarHBondContact OD1-N 2.87Å; N1166-T1194 VanDerWaalsContact OD1-N 3.15Å; T1194-I1196 PolarHBondContact O-N 3.19Å; T1194-T1217 VanDerWaalsContact C-C 3.44Å; T1194-T1217 CarbonylContact C-O 3.37Å; T1194-T1217 WeakPolarHBondContact CB-O 3.27Å; T1194-T1217 CarbonylContact O-C 3.11Å
1195	V	51.1	Low	50	Low	8 Å²	8	61.4 Å²	61.4	5%	0.048	32%	0.318	C	S	.	.				-35	109.3	129.6	-115.4	0	0	0	0	107.8	Y1184 C1193 D1215 Q1216 T1217	Y1184-V1195 WeakPolarHBondContact CB-O 3.5Å; Y1184-V1195 HydrophobicContact CD2-CB 3.67Å; Y1184-V1195 HydrophobicContact CD2-CG1 4.28Å; Y1184-V1195 HydrophobicContact CD2-CG2 4.41Å; Y1184-V1195 VanDerWaalsContact CD2-O 3.32Å; Y1184-V1195 WeakPolarHBondContact CD2-O 3.41Å; Y1184-V1195 HydrophobicContact CE2-CB 3.67Å; Y1184-V1195 HydrophobicContact CE2-CG1 3.82Å; Y1184-V1195 HydrophobicContact CE2-CG2 4.37Å; C1193-V1195 HydrophobicContact CB-CG2 4.25Å; V1195-D1215 WeakPolarHBondContact CG1-OD2 3.49Å; V1195-Q1216 WeakPolarHBondContact CG1-O 3.37Å; V1195-T1217 HydrophobicContact CB-CG2 4.44Å; V1195-T1217 HydrophobicContact CG1-CG2 4.13Å; V1195-T1217 HydrophobicContact CG2-CG2 3.91Å; V1195-T1217 PolarHBondContact N-O 3.12Å
1196	I	48.6	Very low	50.6	Low	54 Å²	54	58.6 Å²	58.6	28%	0.277	31%	0.305	S	S	.	.				-79.5	141.7	128.3	-62.3	-177.7	0	0	0	104.1	M1183 T1194 E1198 L1204	M1183-I1196 HydrophobicContact CB-CB 4.16Å; M1183-I1196 HydrophobicContact CB-CD1 3.5Å; M1183-I1196 VanDerWaalsContact CB-CD1 3.5Å; M1183-I1196 HydrophobicContact CB-CG1 3.46Å; M1183-I1196 VanDerWaalsContact CB-CG1 3.46Å; M1183-I1196 HydrophobicContact CB-CG2 3.89Å; M1183-I1196 HydrophobicContact CE-CD1 4.45Å; M1183-I1196 HydrophobicContact CE-CG2 4.01Å; M1183-I1196 HydrophobicContact CG-CD1 4.22Å; T1194-I1196 PolarHBondContact O-N 3.19Å; I1196-E1198 VanDerWaalsContact C-N 3.34Å; I1196-E1198 HydrophobicContact CG2-CG 4.18Å; I1196-E1198 PolarHBondContact O-N 2.99Å; I1196-E1198 VanDerWaalsContact O-N 3.08Å; I1196-E1198 VanDerWaalsContact O-OE2 3.13Å; I1196-L1204 HydrophobicContact CG2-CD1 4.04Å
1197	N	55	Low	51.3	Low	20 Å²	20	54 Å²	54	11%	0.107	29%	0.289	C	S	.	.			trans	-84.4	86.5	173.6	-152.7	-59.1	0	0	0	109	Y1184 C1199 L1200 D1215	Y1184-N1197 HydrophobicContact CD2-CB 3.81Å; Y1184-N1197 HydrophobicContact CE1-CB 4.32Å; Y1184-N1197 HydrophobicContact CE2-CB 3.32Å; Y1184-N1197 PolarHBondContact OH-ND2 3.13Å; N1197-C1199 PolarHBondContact O-N 2.76Å; N1197-C1199 WeakPolarHBondContact OD1-CA 3.24Å; N1197-C1199 VanDerWaalsContact OD1-CB 3.27Å; N1197-C1199 WeakPolarHBondContact OD1-CB 3.34Å; N1197-C1199 PolarHBondContact OD1-N 2.87Å; N1197-L1200 HydrophobicContact CB-CB 3.71Å; N1197-L1200 HydrophobicContact CB-CD1 3.52Å; N1197-L1200 HydrophobicContact CB-CG 3.5Å; N1197-L1200 VanDerWaalsContact CB-CG 3.5Å; N1197-L1200 VanDerWaalsContact CG-CG 3.46Å; N1197-L1200 PolarHBondContact O-N 3.33Å; N1197-L1200 PolarHBondContact OD1-N 2.8Å; N1197-D1215 VanDerWaalsContact CA-OD1 3.24Å; N1197-D1215 WeakPolarHBondContact CA-OD1 3.49Å; N1197-D1215 VanDerWaalsContact ND2-CG 3.27Å; N1197-D1215 PolarHBondContact ND2-OD2 3.48Å; N1197-D1215 PolarHBondContact OD1-OD1 2.85Å; N1197-D1215 PolarHBondContact OD1-OD2 3.16Å
1198	E	60.8	Low	52.5	Low	25 Å²	25	49 Å²	49	12%	0.117	27%	0.266	C	S	.	.	G	3₁₀ helix	trans	-65.4	-18.7	174.8	-57	92	179.2	0	0	110.9	I1196 L1204 N1205 D1215 G1219 Y1220	I1196-E1198 VanDerWaalsContact C-N 3.34Å; I1196-E1198 HydrophobicContact CG2-CG 4.18Å; I1196-E1198 PolarHBondContact O-N 2.99Å; I1196-E1198 VanDerWaalsContact O-N 3.08Å; I1196-E1198 VanDerWaalsContact O-OE2 3.13Å; E1198-L1204 HydrophobicContact CB-CB 3.84Å; E1198-L1204 HydrophobicContact CG-CB 4.15Å; E1198-N1205 HydrophobicContact CB-CB 4.48Å; E1198-N1205 WeakPolarHBondContact O-CB 3.2Å; E1198-N1205 PolarHBondContact O-N 2.75Å; E1198-N1205 PolarHBondContact O-ND2 2.79Å; E1198-D1215 PolarHBondContact N-OD1 3Å; E1198-G1219 WeakPolarHBondContact OE1-CA 3.48Å; E1198-G1219 PolarHBondContact OE1-N 3.28Å; E1198-G1219 WeakPolarHBondContact OE2-CA 3.5Å; E1198-G1219 PolarHBondContact OE2-N 2.66Å; E1198-Y1220 HydrophobicContact CB-CD1 3.26Å; E1198-Y1220 HydrophobicContact CB-CE1 4Å; E1198-Y1220 HydrophobicContact CB-CG 3.95Å; E1198-Y1220 HydrophobicContact CG-CD1 3.71Å; E1198-Y1220 HydrophobicContact CG-CE1 4.25Å; E1198-Y1220 PolarHBondContact OE2-N 3.02Å
1199	C	61.3	Low	53.5	Low	34 Å²	34	48.2 Å²	48.2	23%	0.23	26%	0.26	C	S	.	.	G	3₁₀ helix	trans	-82.2	-10.7	170.3	-54.4	0	0	0	0	116.1	N1197 R1201 C1213 T1214 D1215	N1197-C1199 PolarHBondContact O-N 2.76Å; N1197-C1199 WeakPolarHBondContact OD1-CA 3.24Å; N1197-C1199 VanDerWaalsContact OD1-CB 3.27Å; N1197-C1199 WeakPolarHBondContact OD1-CB 3.34Å; N1197-C1199 PolarHBondContact OD1-N 2.87Å; C1199-R1201 PolarHBondContact O-N 3.45Å; C1199-C1213 VanDerWaalsContact CA-SG 3.55Å; C1199-C1213 HydrophobicContact CB-CB 3.84Å; C1199-C1213 WeakPolarHBondContact CB-SG 3.42Å; C1199-C1213 WeakPolarHBondContact SG-CB 3.07Å; C1199-C1213 CovalentContact SG-SG 2.03Å; C1199-C1213 PolarHBondContact SG-SG 3.37Å; C1199-T1214 VanDerWaalsContact SG-C 3.53Å; C1199-D1215 HydrophobicContact CB-CB 3.96Å; C1199-D1215 WeakPolarHBondContact SG-CA 3.39Å; C1199-D1215 PolarHBondContact SG-N 2.74Å
1200	L	59	Low	54.1	Low	116 Å²	116	40.8 Å²	40.8	61%	0.607	22%	0.22	S	C	*	.	G	3₁₀ helix	trans	-76.6	-14.5	173.1	-82.8	173.2	0	0	0	111.8	Y1184 N1197	Y1184-L1200 HydrophobicContact CE1-CD1 3.94Å; N1197-L1200 HydrophobicContact CB-CB 3.71Å; N1197-L1200 HydrophobicContact CB-CD1 3.52Å; N1197-L1200 HydrophobicContact CB-CG 3.5Å; N1197-L1200 VanDerWaalsContact CB-CG 3.5Å; N1197-L1200 VanDerWaalsContact CG-CG 3.46Å; N1197-L1200 PolarHBondContact O-N 3.33Å; N1197-L1200 PolarHBondContact OD1-N 2.8Å
1201	R	49.9	Very low	54.2	Low	108 Å²	108	39 Å²	39	41%	0.408	21%	0.21	S	C	.	.			trans	-132.9	123.8	174.7	-50.9	-178.6	79.9	159.6	0.1	109.1	C1199 E1203 L1204 N1205	C1199-R1201 PolarHBondContact O-N 3.45Å; R1201-E1203 HydrophobicContact CB-CB 4.07Å; R1201-E1203 IonicContact CZ-OE2 3.99Å; R1201-E1203 IonicContact NE-OE2 3.76Å; R1201-E1203 PolarHBondContact NE-OE2 2.91Å; R1201-E1203 IonicContact NH2-OE2 3.26Å; R1201-E1203 PolarHBondContact NH2-OE2 3.16Å; R1201-E1203 PolarHBondContact O-N 2.94Å; R1201-L1204 HydrophobicContact CB-CB 4.3Å; R1201-L1204 HydrophobicContact CB-CD1 4.2Å; R1201-L1204 HydrophobicContact CB-CG 4.09Å; R1201-L1204 HydrophobicContact CG-CD1 4.18Å; R1201-L1204 PolarHBondContact O-N 3.42Å; R1201-N1205 PolarHBondContact O-N 3.01Å; R1201-N1205 VanDerWaalsContact O-N 3.07Å; R1201-N1205 PolarHBondContact O-ND2 3.46Å
1202	S	48.8	Very low	54.9	Low	103 Å²	103	43 Å²	43	72%	0.72	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.6	13	160.9	50.6	0	0	0	0	113.2	N1205	S1202-N1205 CarbonylContact C-O 3.42Å; S1202-N1205 VanDerWaalsContact CA-O 3.29Å; S1202-N1205 WeakPolarHBondContact CA-O 3.43Å; S1202-N1205 VanDerWaalsContact O-O 3.07Å
1203	E	55.8	Low	55.6	Low	133 Å²	133	44.3 Å²	44.3	62%	0.621	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-103.6	-10.8	170	-57.4	127	-133.3	0	0	111.5	R1201	R1201-E1203 HydrophobicContact CB-CB 4.07Å; R1201-E1203 IonicContact CZ-OE2 3.99Å; R1201-E1203 IonicContact NE-OE2 3.76Å; R1201-E1203 PolarHBondContact NE-OE2 2.91Å; R1201-E1203 IonicContact NH2-OE2 3.26Å; R1201-E1203 PolarHBondContact NH2-OE2 3.16Å; R1201-E1203 PolarHBondContact O-N 2.94Å
1204	L	53.6	Low	56	Low	54 Å²	54	47 Å²	47	28%	0.283	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.8	-32.8	175.9	-66.4	174.1	0	0	0	111.4	M1183 I1196 E1198 R1201 Y1220	M1183-L1204 HydrophobicContact CE-CD1 3.87Å; M1183-L1204 HydrophobicContact CE-CD2 3.92Å; I1196-L1204 HydrophobicContact CG2-CD1 4.04Å; E1198-L1204 HydrophobicContact CB-CB 3.84Å; E1198-L1204 HydrophobicContact CG-CB 4.15Å; R1201-L1204 HydrophobicContact CB-CB 4.3Å; R1201-L1204 HydrophobicContact CB-CD1 4.2Å; R1201-L1204 HydrophobicContact CB-CG 4.09Å; R1201-L1204 HydrophobicContact CG-CD1 4.18Å; R1201-L1204 PolarHBondContact O-N 3.42Å; L1204-Y1220 WeakPolarHBondContact O-CE1 3.48Å
1205	N	48	Very low	55.9	Low	14 Å²	14	46.1 Å²	46.1	8%	0.075	25%	0.248	C	C	.	.			trans	-109.8	165.5	161.9	88.2	99.7	0	0	0	112.1	E1198 R1201 S1202 C1207 C1213 Y1220	E1198-N1205 HydrophobicContact CB-CB 4.48Å; E1198-N1205 WeakPolarHBondContact O-CB 3.2Å; E1198-N1205 PolarHBondContact O-N 2.75Å; E1198-N1205 PolarHBondContact O-ND2 2.79Å; R1201-N1205 PolarHBondContact O-N 3.01Å; R1201-N1205 VanDerWaalsContact O-N 3.07Å; R1201-N1205 PolarHBondContact O-ND2 3.46Å; S1202-N1205 CarbonylContact C-O 3.42Å; S1202-N1205 VanDerWaalsContact CA-O 3.29Å; S1202-N1205 WeakPolarHBondContact CA-O 3.43Å; S1202-N1205 VanDerWaalsContact O-O 3.07Å; N1205-C1207 PolarHBondContact OD1-N 3.37Å; N1205-C1207 VanDerWaalsContact OD1-N 3.15Å; N1205-C1213 WeakPolarHBondContact CB-SG 3.41Å; N1205-C1213 PolarHBondContact OD1-SG 2.73Å; N1205-Y1220 HydrophobicContact CB-CD1 4.11Å; N1205-Y1220 HydrophobicContact CB-CD2 3.57Å; N1205-Y1220 HydrophobicContact CB-CE1 4.37Å; N1205-Y1220 HydrophobicContact CB-CE2 3.87Å; N1205-Y1220 HydrophobicContact CB-CG 3.67Å
1206	N	59.4	Low	55.8	Low	28 Å²	28	50.3 Å²	50.3	15%	0.15	27%	0.267	C	S	.	.			trans	-149.2	28.3	-171.9	29	52	0	0	0	107.8	P909 Y1220 R1241 L2668	P909-N1206 VanDerWaalsContact CD-CG 3.48Å; P909-N1206 HydrophobicContact CG-CB 4.13Å; P909-N1206 VanDerWaalsContact CG-CG 3.42Å; P909-N1206 WeakPolarHBondContact CG-ND2 3.29Å; N1206-Y1220 PolarHBondContact ND2-OH 2.86Å; N1206-Y1220 VanDerWaalsContact ND2-OH 3.15Å; N1206-Y1220 WeakPolarHBondContact OD1-CE2 3.14Å; N1206-Y1220 PolarHBondContact OD1-OH 2.62Å; N1206-R1241 WeakPolarHBondContact O-CB 3.01Å; N1206-R1241 VanDerWaalsContact O-CD 3.31Å; N1206-R1241 WeakPolarHBondContact O-CD 3.33Å; N1206-R1241 WeakPolarHBondContact O-CG 3.3Å; N1206-R1241 WeakPolarHBondContact OD1-CD 3.15Å; N1206-R1241 PolarHBondContact OD1-NE 3.33Å; N1206-R1241 PolarHBondContact OD1-NH2 2.69Å; N1206-L2668 WeakPolarHBondContact O-CD2 3.46Å
1207	C	67.2	Low	55.8	Low	7 Å²	7	51.7 Å²	51.7	5%	0.047	28%	0.278	C	S	.	.			trans	-66	150.7	170	-63.1	0	0	0	0	110.1	N1205 T1209 C1213 C1222	N1205-C1207 PolarHBondContact OD1-N 3.37Å; N1205-C1207 VanDerWaalsContact OD1-N 3.15Å; C1207-T1209 PolarHBondContact O-N 3.19Å; C1207-C1213 HydrophobicContact CB-CB 3.85Å; C1207-C1222 WeakPolarHBondContact CA-SG 3.4Å; C1207-C1222 HydrophobicContact CB-CB 3.51Å; C1207-C1222 WeakPolarHBondContact CB-SG 3.38Å; C1207-C1222 WeakPolarHBondContact SG-CA 3.48Å; C1207-C1222 WeakPolarHBondContact SG-CB 3.32Å; C1207-C1222 CovalentContact SG-SG 2.03Å; C1207-C1222 PolarHBondContact SG-SG 3.01Å
1208	S	58.2	Low	55.3	Low	2 Å²	2	55 Å²	55	1%	0.014	31%	0.309	C	S	.	.			trans	-57.8	141.1	179.1	-154.4	0	0	0	0	109.8	N1210 A1211 G1240 R1241 C1243	S1208-N1210 PolarHBondContact O-N 2.92Å; S1208-N1210 VanDerWaalsContact O-N 3.11Å; S1208-A1211 CarbonylContact O-C 3.2Å; S1208-A1211 VanDerWaalsContact O-CA 3.28Å; S1208-A1211 WeakPolarHBondContact O-CA 3.5Å; S1208-A1211 VanDerWaalsContact O-CB 3.29Å; S1208-A1211 WeakPolarHBondContact O-CB 3.45Å; S1208-A1211 PolarHBondContact O-N 3.37Å; S1208-G1240 VanDerWaalsContact CB-O 3.28Å; S1208-G1240 WeakPolarHBondContact CB-O 2.93Å; S1208-G1240 PolarHBondContact N-O 3.39Å; S1208-R1241 WeakPolarHBondContact CA-O 3.29Å; S1208-R1241 VanDerWaalsContact CB-C 3.5Å; S1208-R1241 WeakPolarHBondContact CB-O 3.12Å; S1208-R1241 PolarHBondContact N-O 3.39Å; S1208-R1241 PolarHBondContact OG-O 2.87Å; S1208-C1243 PolarHBondContact OG-N 3.17Å; S1208-C1243 VanDerWaalsContact OG-N 3.13Å
1209	T	64.8	Low	54.9	Low	36 Å²	36	54.7 Å²	54.7	22%	0.221	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-27.3	167.1	56.4	0	0	0	0	111.5	C1207 K1225 V2666 S2667 L2668	C1207-T1209 PolarHBondContact O-N 3.19Å; T1209-K1225 PolarHBondContact O-NZ 2.78Å; T1209-V2666 PolarHBondContact OG1-N 3.33Å; T1209-S2667 PolarHBondContact OG1-N 2.8Å; T1209-S2667 PolarHBondContact OG1-O 2.95Å; T1209-L2668 HydrophobicContact CG2-CD1 3.99Å
1210	N	57.8	Low	54.7	Low	2 Å²	2	55.3 Å²	55.3	1%	0.011	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.4	10.3	176.3	-60.3	-24	0	0	0	112.2	S1208 K1225 F1228 C1243	S1208-N1210 PolarHBondContact O-N 2.92Å; S1208-N1210 VanDerWaalsContact O-N 3.11Å; N1210-K1225 WeakPolarHBondContact O-CB 3.4Å; N1210-K1225 PolarHBondContact O-N 3.01Å; N1210-F1228 HydrophobicContact CB-CB 4.06Å; N1210-F1228 HydrophobicContact CB-CD1 3.22Å; N1210-F1228 HydrophobicContact CB-CE1 3.72Å; N1210-F1228 HydrophobicContact CB-CG 3.73Å; N1210-F1228 WeakPolarHBondContact OD1-CD1 3.42Å; N1210-F1228 WeakPolarHBondContact OD1-CE1 3.34Å; N1210-C1243 HydrophobicContact CB-CB 3.96Å; N1210-C1243 WeakPolarHBondContact CB-O 3.34Å; N1210-C1243 PolarHBondContact ND2-O 2.97Å
1211	A	52.6	Low	54.5	Low	1 Å²	1	51.3 Å²	51.3	1%	0.008	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	168.5	169.9	0	0	0	0	0	110.1	S1208 Q1223 K1225 G1240	S1208-A1211 CarbonylContact O-C 3.2Å; S1208-A1211 VanDerWaalsContact O-CA 3.28Å; S1208-A1211 WeakPolarHBondContact O-CA 3.5Å; S1208-A1211 VanDerWaalsContact O-CB 3.29Å; S1208-A1211 WeakPolarHBondContact O-CB 3.45Å; S1208-A1211 PolarHBondContact O-N 3.37Å; A1211-Q1223 CarbonylContact C-O 3.23Å; A1211-Q1223 WeakPolarHBondContact CA-O 3.47Å; A1211-Q1223 VanDerWaalsContact CB-O 3.22Å; A1211-Q1223 WeakPolarHBondContact CB-O 3.12Å; A1211-K1225 WeakPolarHBondContact O-CE 3.46Å; A1211-K1225 PolarHBondContact O-NZ 3.49Å; A1211-G1240 WeakPolarHBondContact CB-O 3.3Å
1212	I	63.6	Low	54.8	Low	83 Å²	83	46.7 Å²	46.7	43%	0.426	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	113.2	170.4	-53.2	179.6	0	0	0	105.6	T1214 C1222 Q1223 K1225	I1212-T1214 HydrophobicContact CB-CG2 4.5Å; I1212-T1214 HydrophobicContact CG2-CG2 3.8Å; I1212-T1214 PolarHBondContact O-N 2.8Å; I1212-C1222 WeakPolarHBondContact O-CA 3.17Å; I1212-Q1223 PolarHBondContact N-O 3.25Å; I1212-Q1223 PolarHBondContact O-N 2.66Å; I1212-Q1223 VanDerWaalsContact O-N 3.17Å; I1212-K1225 HydrophobicContact CD1-CG 4.45Å; I1212-K1225 HydrophobicContact CG1-CG 3.68Å
1213	C	56.7	Low	55	Low	32 Å²	32	48.1 Å²	48.1	22%	0.216	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	110	155.9	-170.2	0	0	0	0	106.2	C1199 N1205 C1207	C1199-C1213 VanDerWaalsContact CA-SG 3.55Å; C1199-C1213 HydrophobicContact CB-CB 3.84Å; C1199-C1213 WeakPolarHBondContact CB-SG 3.42Å; C1199-C1213 WeakPolarHBondContact SG-CB 3.07Å; C1199-C1213 CovalentContact SG-SG 2.03Å; C1199-C1213 PolarHBondContact SG-SG 3.37Å; N1205-C1213 WeakPolarHBondContact CB-SG 3.41Å; N1205-C1213 PolarHBondContact OD1-SG 2.73Å; C1207-C1213 HydrophobicContact CB-CB 3.85Å
1214	T	54.8	Low	55.3	Low	57 Å²	57	43.3 Å²	43.3	35%	0.35	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	109.8	169.6	53.8	0	0	0	0	107.4	C1199 I1212 Q1216 Y1220 A1221	C1199-T1214 VanDerWaalsContact SG-C 3.53Å; I1212-T1214 HydrophobicContact CB-CG2 4.5Å; I1212-T1214 HydrophobicContact CG2-CG2 3.8Å; I1212-T1214 PolarHBondContact O-N 2.8Å; T1214-Q1216 WeakPolarHBondContact O-CG 3.26Å; T1214-Y1220 WeakPolarHBondContact O-CA 3.17Å; T1214-A1221 PolarHBondContact N-O 2.03Å; T1214-A1221 PolarHBondContact O-N 2.94Å; T1214-A1221 PolarHBondContact OG1-O 3.05Å
1215	D	48	Very low	55.3	Low	52 Å²	52	44.8 Å²	44.8	28%	0.278	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	129.3	174.6	-167.5	53	0	0	0	108.9	V1195 N1197 E1198 C1199	V1195-D1215 WeakPolarHBondContact CG1-OD2 3.49Å; N1197-D1215 VanDerWaalsContact CA-OD1 3.24Å; N1197-D1215 WeakPolarHBondContact CA-OD1 3.49Å; N1197-D1215 VanDerWaalsContact ND2-CG 3.27Å; N1197-D1215 PolarHBondContact ND2-OD2 3.48Å; N1197-D1215 PolarHBondContact OD1-OD1 2.85Å; N1197-D1215 PolarHBondContact OD1-OD2 3.16Å; E1198-D1215 PolarHBondContact N-OD1 3Å; C1199-D1215 HydrophobicContact CB-CB 3.96Å; C1199-D1215 WeakPolarHBondContact SG-CA 3.39Å; C1199-D1215 PolarHBondContact SG-N 2.74Å
1216	Q	48.9	Very low	55.5	Low	95 Å²	95	50.6 Å²	50.6	44%	0.444	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	159.1	-179.9	-31.8	-171.2	-13.7	0	0	109	V1195 T1214 A1218 G1219	V1195-Q1216 WeakPolarHBondContact CG1-O 3.37Å; T1214-Q1216 WeakPolarHBondContact O-CG 3.26Å; Q1216-A1218 PolarHBondContact O-N 3.35Å; Q1216-G1219 CarbonylContact C-O 3.58Å; Q1216-G1219 WeakPolarHBondContact CA-O 3.42Å; Q1216-G1219 WeakPolarHBondContact CB-O 3.28Å; Q1216-G1219 VanDerWaalsContact CG-O 3.27Å; Q1216-G1219 WeakPolarHBondContact CG-O 3.17Å; Q1216-G1219 PolarHBondContact N-O 3.39Å; Q1216-G1219 VanDerWaalsContact O-O 3.11Å
1217	T	47.7	Very low	55.2	Low	84 Å²	84	51 Å²	51	52%	0.515	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79	30.6	-172.1	68.5	0	0	0	0	113.3	T1194 V1195	T1194-T1217 VanDerWaalsContact C-C 3.44Å; T1194-T1217 CarbonylContact C-O 3.37Å; T1194-T1217 WeakPolarHBondContact CB-O 3.27Å; T1194-T1217 CarbonylContact O-C 3.11Å; V1195-T1217 HydrophobicContact CB-CG2 4.44Å; V1195-T1217 HydrophobicContact CG1-CG2 4.13Å; V1195-T1217 HydrophobicContact CG2-CG2 3.91Å; V1195-T1217 PolarHBondContact N-O 3.12Å
1218	A	44.5	Very low	54.2	Low	90 Å²	90	53.3 Å²	53.3	74%	0.744	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-178.6	27.5	-174.8	0	0	0	0	0	112.5	Q1216	Q1216-A1218 PolarHBondContact O-N 3.35Å
1219	G	52.1	Low	53.7	Low	17 Å²	17	54.5 Å²	54.5	18%	0.175	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	132.3	176.8	-169.3	0	0	0	0	0	113.1	E1198 Q1216	E1198-G1219 WeakPolarHBondContact OE1-CA 3.48Å; E1198-G1219 PolarHBondContact OE1-N 3.28Å; E1198-G1219 WeakPolarHBondContact OE2-CA 3.5Å; E1198-G1219 PolarHBondContact OE2-N 2.66Å; Q1216-G1219 CarbonylContact C-O 3.58Å; Q1216-G1219 WeakPolarHBondContact CA-O 3.42Å; Q1216-G1219 WeakPolarHBondContact CB-O 3.28Å; Q1216-G1219 VanDerWaalsContact CG-O 3.27Å; Q1216-G1219 WeakPolarHBondContact CG-O 3.17Å; Q1216-G1219 PolarHBondContact N-O 3.39Å; Q1216-G1219 VanDerWaalsContact O-O 3.11Å
1220	Y	57.8	Low	53.2	Low	48 Å²	48	55.6 Å²	55.6	19%	0.188	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	152.6	179.8	55.7	-77.3	0	0	0	111.6	E1198 L1204 N1205 N1206 T1214 R1241	E1198-Y1220 HydrophobicContact CB-CD1 3.26Å; E1198-Y1220 HydrophobicContact CB-CE1 4Å; E1198-Y1220 HydrophobicContact CB-CG 3.95Å; E1198-Y1220 HydrophobicContact CG-CD1 3.71Å; E1198-Y1220 HydrophobicContact CG-CE1 4.25Å; E1198-Y1220 PolarHBondContact OE2-N 3.02Å; L1204-Y1220 WeakPolarHBondContact O-CE1 3.48Å; N1205-Y1220 HydrophobicContact CB-CD1 4.11Å; N1205-Y1220 HydrophobicContact CB-CD2 3.57Å; N1205-Y1220 HydrophobicContact CB-CE1 4.37Å; N1205-Y1220 HydrophobicContact CB-CE2 3.87Å; N1205-Y1220 HydrophobicContact CB-CG 3.67Å; N1206-Y1220 PolarHBondContact ND2-OH 2.86Å; N1206-Y1220 VanDerWaalsContact ND2-OH 3.15Å; N1206-Y1220 WeakPolarHBondContact OD1-CE2 3.14Å; N1206-Y1220 PolarHBondContact OD1-OH 2.62Å; T1214-Y1220 WeakPolarHBondContact O-CA 3.17Å; Y1220-R1241 PolarHBondContact OH-NH2 3.21Å
1221	A	53.5	Low	53	Low	31 Å²	31	57.1 Å²	57.1	26%	0.256	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	143.9	164.8	0	0	0	0	0	112.3	T1214	T1214-A1221 PolarHBondContact N-O 2.03Å; T1214-A1221 PolarHBondContact O-N 2.94Å; T1214-A1221 PolarHBondContact OG1-O 3.05Å
1222	C	56.8	Low	52.8	Low	11 Å²	11	58.4 Å²	58.4	7%	0.074	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	149	-177.1	-45.6	0	0	0	0	110.5	C1207 I1212 Q1238 P1239 G1240 R1241	C1207-C1222 WeakPolarHBondContact CA-SG 3.4Å; C1207-C1222 HydrophobicContact CB-CB 3.51Å; C1207-C1222 WeakPolarHBondContact CB-SG 3.38Å; C1207-C1222 WeakPolarHBondContact SG-CA 3.48Å; C1207-C1222 WeakPolarHBondContact SG-CB 3.32Å; C1207-C1222 CovalentContact SG-SG 2.03Å; C1207-C1222 PolarHBondContact SG-SG 3.01Å; I1212-C1222 WeakPolarHBondContact O-CA 3.17Å; C1222-Q1238 HydrophobicContact CB-CB 4.27Å; C1222-Q1238 WeakPolarHBondContact CB-O 3.11Å; C1222-P1239 CarbonylContact C-O 3.48Å; C1222-G1240 WeakPolarHBondContact CB-O 3.45Å; C1222-R1241 HydrophobicContact CB-CG 4.5Å
1223	Q	53.8	Low	51.8	Low	134 Å²	134	55.8 Å²	55.8	63%	0.626	32%	0.318	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-160.5	124.4	171.2	-173.5	171.8	85.5	0	0	112.6	A1211 I1212 K1225	A1211-Q1223 CarbonylContact C-O 3.23Å; A1211-Q1223 WeakPolarHBondContact CA-O 3.47Å; A1211-Q1223 VanDerWaalsContact CB-O 3.22Å; A1211-Q1223 WeakPolarHBondContact CB-O 3.12Å; I1212-Q1223 PolarHBondContact N-O 3.25Å; I1212-Q1223 PolarHBondContact O-N 2.66Å; I1212-Q1223 VanDerWaalsContact O-N 3.17Å; Q1223-K1225 PolarHBondContact O-N 2.9Å
1224	C	61	Low	51.1	Low	32 Å²	32	54.3 Å²	54.3	22%	0.216	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.3	130.9	-176.7	-55.2	0	0	0	0	114.3	D1230 C1243	C1224-D1230 WeakPolarHBondContact SG-CA 2.98Å; C1224-D1230 WeakPolarHBondContact SG-CB 3.24Å; C1224-D1230 VanDerWaalsContact SG-CG 3.53Å; C1224-D1230 PolarHBondContact SG-N 2.83Å; C1224-D1230 VanDerWaalsContact SG-N 3.41Å; C1224-C1243 WeakPolarHBondContact CA-SG 3.26Å; C1224-C1243 HydrophobicContact CB-CB 3.77Å; C1224-C1243 WeakPolarHBondContact CB-SG 3.19Å; C1224-C1243 WeakPolarHBondContact SG-CB 3.44Å; C1224-C1243 CovalentContact SG-SG 2.03Å; C1224-C1243 PolarHBondContact SG-SG 2.79Å
1225	K	53.6	Low	50.6	Low	84 Å²	84	53.9 Å²	53.9	37%	0.365	30%	0.303	S	S	.	.	P	Polyproline II helix	trans	-66	149.5	174.1	-72.3	161.5	168.7	143.1	0	110.2	T1209 N1210 A1211 I1212 Q1223 F1228	T1209-K1225 PolarHBondContact O-NZ 2.78Å; N1210-K1225 WeakPolarHBondContact O-CB 3.4Å; N1210-K1225 PolarHBondContact O-N 3.01Å; A1211-K1225 WeakPolarHBondContact O-CE 3.46Å; A1211-K1225 PolarHBondContact O-NZ 3.49Å; I1212-K1225 HydrophobicContact CD1-CG 4.45Å; I1212-K1225 HydrophobicContact CG1-CG 3.68Å; Q1223-K1225 PolarHBondContact O-N 2.9Å; K1225-F1228 HydrophobicContact CB-CD2 3.67Å; K1225-F1228 HydrophobicContact CB-CE2 4.15Å; K1225-F1228 WeakPolarHBondContact O-CB 3.49Å; K1225-F1228 PolarHBondContact O-N 2.91Å
1226	E	53	Low	50.4	Low	137 Å²	137	55.6 Å²	55.6	64%	0.64	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.8	142	170.8	-64	-161.2	120.4	0	0	110.4	F1228	E1226-F1228 VanDerWaalsContact C-N 3.34Å; E1226-F1228 WeakPolarHBondContact O-CD2 3.38Å
1227	G	52.2	Low	50.6	Low	36 Å²	36	54.3 Å²	54.3	37%	0.371	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	84.8	7	-163.3	0	0	0	0	0	114.1	L1246	G1227-L1246 VanDerWaalsContact C-CD1 3.46Å; G1227-L1246 VanDerWaalsContact C-CG 3.46Å; G1227-L1246 WeakPolarHBondContact O-CB 2.98Å; G1227-L1246 WeakPolarHBondContact O-CG 3.31Å; G1227-L1246 PolarHBondContact O-N 3.22Å
1228	F	46.2	Very low	50.7	Low	55 Å²	55	52.8 Å²	52.8	24%	0.241	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	146.6	174.8	-52.6	-101.5	0	0	0	110.2	N1210 K1225 E1226 C1243 K1244 P1245	N1210-F1228 HydrophobicContact CB-CB 4.06Å; N1210-F1228 HydrophobicContact CB-CD1 3.22Å; N1210-F1228 HydrophobicContact CB-CE1 3.72Å; N1210-F1228 HydrophobicContact CB-CG 3.73Å; N1210-F1228 WeakPolarHBondContact OD1-CD1 3.42Å; N1210-F1228 WeakPolarHBondContact OD1-CE1 3.34Å; K1225-F1228 HydrophobicContact CB-CD2 3.67Å; K1225-F1228 HydrophobicContact CB-CE2 4.15Å; K1225-F1228 WeakPolarHBondContact O-CB 3.49Å; K1225-F1228 PolarHBondContact O-N 2.91Å; E1226-F1228 VanDerWaalsContact C-N 3.34Å; E1226-F1228 WeakPolarHBondContact O-CD2 3.38Å; F1228-C1243 HydrophobicContact CB-CB 4.3Å; F1228-K1244 CarbonylContact C-O 3.59Å; F1228-K1244 WeakPolarHBondContact CA-O 3.35Å; F1228-P1245 VanDerWaalsContact CD1-CA 3.42Å; F1228-P1245 HydrophobicContact CD1-CB 3.37Å; F1228-P1245 HydrophobicContact CD1-CG 3.89Å; F1228-P1245 HydrophobicContact CE1-CB 3.39Å; F1228-P1245 HydrophobicContact CE1-CG 3.81Å; F1228-P1245 HydrophobicContact CG-CB 4.35Å; F1228-P1245 HydrophobicContact CZ-CB 4.31Å
1229	K	47.3	Very low	50.8	Low	27 Å²	27	52.1 Å²	52.1	12%	0.117	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	125.7	178.6	169.5	-116.9	171.5	155.9	0	108.6	E1231 C1243 K1244 L1246 A1506 Y1525	K1229-E1231 HydrophobicContact CD-CG 3.76Å; K1229-E1231 IonicContact NZ-OE1 2.71Å; K1229-E1231 PolarHBondContact NZ-OE1 2.92Å; K1229-E1231 PolarHBondContact O-N 3.07Å; K1229-E1231 VanDerWaalsContact O-N 3.13Å; K1229-C1243 CarbonylContact O-C 3.48Å; K1229-C1243 WeakPolarHBondContact O-CA 3.38Å; K1229-K1244 PolarHBondContact N-O 2.85Å; K1229-K1244 PolarHBondContact O-N 3.5Å; K1229-L1246 HydrophobicContact CB-CD1 4.39Å; K1229-L1246 HydrophobicContact CB-CD2 3.71Å; K1229-A1506 HydrophobicContact CD-CB 4Å; K1229-Y1525 HydrophobicContact CB-CE1 4.28Å; K1229-Y1525 HydrophobicContact CD-CE1 3.52Å; K1229-Y1525 WeakPolarHBondContact CE-OH 3.34Å; K1229-Y1525 HydrophobicContact CG-CE1 3.68Å; K1229-Y1525 PolarHBondContact NZ-OH 2.59Å
1230	D	55.4	Low	51.2	Low	60 Å²	60	51.3 Å²	51.3	32%	0.321	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-51.8	116.1	166.5	-150.2	-19	0	0	0	109.5	C1224 S1232 G1240	C1224-D1230 WeakPolarHBondContact SG-CA 2.98Å; C1224-D1230 WeakPolarHBondContact SG-CB 3.24Å; C1224-D1230 VanDerWaalsContact SG-CG 3.53Å; C1224-D1230 PolarHBondContact SG-N 2.83Å; C1224-D1230 VanDerWaalsContact SG-N 3.41Å; D1230-S1232 PolarHBondContact OD1-OG 3.03Å; D1230-G1240 PolarHBondContact OD2-N 3.4Å; D1230-G1240 VanDerWaalsContact OD2-N 3.17Å
1231	E	53	Low	51.5	Low	33 Å²	33	49.3 Å²	49.3	15%	0.154	28%	0.282	C	S	.	.			trans	-112.2	-16.1	-176.9	-115	-81.6	135.8	0	0	111.7	K1229 P1233 V1242 K1244 S1505 A1506 T2669 R2672	K1229-E1231 HydrophobicContact CD-CG 3.76Å; K1229-E1231 IonicContact NZ-OE1 2.71Å; K1229-E1231 PolarHBondContact NZ-OE1 2.92Å; K1229-E1231 PolarHBondContact O-N 3.07Å; K1229-E1231 VanDerWaalsContact O-N 3.13Å; E1231-P1233 VanDerWaalsContact C-N 3.3Å; E1231-P1233 WeakPolarHBondContact O-CD 3.36Å; E1231-V1242 PolarHBondContact N-O 3.26Å; E1231-K1244 HydrophobicContact CG-CB 4.46Å; E1231-S1505 WeakPolarHBondContact CG-OG 3.44Å; E1231-S1505 WeakPolarHBondContact OE2-CA 3.36Å; E1231-S1505 WeakPolarHBondContact OE2-CB 3.38Å; E1231-S1505 PolarHBondContact OE2-OG 2.97Å; E1231-A1506 HydrophobicContact CG-CB 4.32Å; E1231-A1506 WeakPolarHBondContact OE1-CA 3.43Å; E1231-A1506 PolarHBondContact OE1-N 3.43Å; E1231-T2669 HydrophobicContact CB-CG2 3.24Å; E1231-T2669 HydrophobicContact CG-CG2 4.26Å; E1231-R2672 IonicContact OE2-NH2 2.79Å
1232	S	49.3	Very low	51.6	Low	29 Å²	29	47.9 Å²	47.9	20%	0.203	27%	0.269	C	S	.	.			trans	3.4	73.8	-179.8	-86.7	0	0	0	0	114.3	E910 D1230 N1234 L1235 V1242	E910-S1232 PolarHBondContact OE2-OG 3.15Å; D1230-S1232 PolarHBondContact OD1-OG 3.03Å; S1232-N1234 WeakPolarHBondContact CB-O 3.12Å; S1232-N1234 PolarHBondContact O-N 3.32Å; S1232-N1234 PolarHBondContact OG-O 3.43Å; S1232-N1234 VanDerWaalsContact OG-O 3.14Å; S1232-L1235 VanDerWaalsContact CB-O 3.24Å; S1232-L1235 WeakPolarHBondContact CB-O 3.3Å; S1232-V1242 VanDerWaalsContact CA-CG1 3.44Å; S1232-V1242 PolarHBondContact N-O 2.78Å
1233	P	43.1	Very low	51.7	Low	28 Å²	28	47.3 Å²	47.3	18%	0.182	27%	0.266	C	S	.	.	S	Bend	trans	-72.1	8.8	168.9	-8	27.8	0	0	0	111.2	R911 E1231 A2670 L2671	R911-P1233 PolarHBondContact NH1-O 2.96Å; E1231-P1233 VanDerWaalsContact C-N 3.3Å; E1231-P1233 WeakPolarHBondContact O-CD 3.36Å; P1233-A2670 WeakPolarHBondContact CB-O 3.49Å; P1233-A2670 WeakPolarHBondContact CD-O 3.3Å; P1233-A2670 WeakPolarHBondContact CG-O 3.25Å; P1233-L2671 HydrophobicContact CB-CB 3.63Å; P1233-L2671 HydrophobicContact CB-CD1 3.52Å; P1233-L2671 HydrophobicContact CB-CG 3.63Å; P1233-L2671 HydrophobicContact CG-CB 4.04Å
1234	N	41.8	Very low	51.6	Low	0 Å²	0	43.4 Å²	43.4	0%	0	25%	0.247	C	C	.	.	S	Bend	trans	-145.1	97.9	-177.2	-89.2	-73.6	0	0	0	104.5	D908 R911 R914 S1232 A2670	D908-N1234 WeakPolarHBondContact OD2-CB 3.42Å; R911-N1234 WeakPolarHBondContact CB-OD1 3.3Å; R911-N1234 PolarHBondContact NE-OD1 3.33Å; R911-N1234 VanDerWaalsContact NH1-CG 3.28Å; R911-N1234 PolarHBondContact NH1-ND2 2.82Å; R911-N1234 PolarHBondContact NH1-OD1 2.92Å; R914-N1234 VanDerWaalsContact CZ-OD1 3.23Å; R914-N1234 PolarHBondContact NE-OD1 2.02Å; R914-N1234 PolarHBondContact NH2-ND2 3.49Å; R914-N1234 PolarHBondContact NH2-OD1 3.37Å; S1232-N1234 WeakPolarHBondContact CB-O 3.12Å; S1232-N1234 PolarHBondContact O-N 3.32Å; S1232-N1234 PolarHBondContact OG-O 3.43Å; S1232-N1234 VanDerWaalsContact OG-O 3.14Å; N1234-A2670 WeakPolarHBondContact ND2-CB 3.46Å; N1234-A2670 PolarHBondContact ND2-O 2.67Å
1235	L	43.9	Very low	51.1	Low	48 Å²	48	42.2 Å²	42.2	25%	0.251	24%	0.238	S	C	.	.			trans	51.3	-168.4	151.6	-30.3	88	0	0	0	121.2	E910 R911 S1232	E910-L1235 HydrophobicContact CB-CB 4.06Å; E910-L1235 HydrophobicContact CB-CD1 3.83Å; E910-L1235 WeakPolarHBondContact O-CD1 3.39Å; E910-L1235 VanDerWaalsContact O-CD2 3.3Å; E910-L1235 WeakPolarHBondContact O-CD2 3.2Å; R911-L1235 HydrophobicContact CB-CD1 3.35Å; R911-L1235 HydrophobicContact CG-CD1 3.87Å; R911-L1235 HydrophobicContact CG-CD2 4.46Å; R911-L1235 VanDerWaalsContact N-CD1 3.34Å; S1232-L1235 VanDerWaalsContact CB-O 3.24Å; S1232-L1235 WeakPolarHBondContact CB-O 3.3Å
1236	P	42.8	Very low	50.8	Low	89 Å²	89	38.8 Å²	38.8	58%	0.578	22%	0.224	S	C	*	.				-126.4	161.9	125.4	39.2	-33.2	0	0	0	113.5	E910	E910-P1236 VanDerWaalsContact CD-CA 3.48Å; E910-P1236 WeakPolarHBondContact OE1-CA 3.38Å
1237	A	54.1	Low	50.5	Low	67 Å²	67	33.5 Å²	33.5	55%	0.554	20%	0.201	S	C	*	.	S	Bend		-127.2	-12.3	124.3	0	0	0	0	0	111.9	E910	E910-A1237 PolarHBondContact OE1-N 3.15Å
1238	Q	49.1	Very low	50.5	Low	53 Å²	53	32.9 Å²	32.9	25%	0.248	19%	0.189	C	C	.	.	S	Bend	trans	-145.2	75.2	-177.4	-65.1	81.2	2.6	0	0	108.3	E910 C1222 G1240 R1241	E910-Q1238 WeakPolarHBondContact OE1-CA 3.49Å; E910-Q1238 PolarHBondContact OE1-N 2.82Å; E910-Q1238 VanDerWaalsContact OE1-O 3.13Å; C1222-Q1238 HydrophobicContact CB-CB 4.27Å; C1222-Q1238 WeakPolarHBondContact CB-O 3.11Å; Q1238-G1240 PolarHBondContact O-N 2.85Å; Q1238-R1241 HydrophobicContact CB-CG 4.09Å; Q1238-R1241 VanDerWaalsContact CD-CZ 3.42Å; Q1238-R1241 VanDerWaalsContact CD-NH2 3.34Å; Q1238-R1241 WeakPolarHBondContact O-CG 3.03Å; Q1238-R1241 PolarHBondContact O-N 3Å
1239	P	47.7	Very low	51.2	Low	75 Å²	75	30.3 Å²	30.3	49%	0.487	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-49.4	127	-168.1	18.6	-33.2	0	0	0	113.1	C1222	C1222-P1239 CarbonylContact C-O 3.48Å
1240	G	59	Low	51.8	Low	0 Å²	0	30.5 Å²	30.5	0%	0	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	87.8	25.7	-168.2	0	0	0	0	0	114.9	S1208 A1211 C1222 D1230 Q1238 V1242 C1243	S1208-G1240 VanDerWaalsContact CB-O 3.28Å; S1208-G1240 WeakPolarHBondContact CB-O 2.93Å; S1208-G1240 PolarHBondContact N-O 3.39Å; A1211-G1240 WeakPolarHBondContact CB-O 3.3Å; C1222-G1240 WeakPolarHBondContact CB-O 3.45Å; D1230-G1240 PolarHBondContact OD2-N 3.4Å; D1230-G1240 VanDerWaalsContact OD2-N 3.17Å; Q1238-G1240 PolarHBondContact O-N 2.85Å; G1240-V1242 PolarHBondContact O-N 3.18Å; G1240-C1243 WeakPolarHBondContact CA-SG 3.47Å
1241	R	64.1	Low	52	Low	7 Å²	7	34.2 Å²	34.2	3%	0.026	20%	0.198	C	C	.	.	S	Bend	trans	-57	-26.3	146.5	-66.4	-142.9	175	134.1	-21.8	111.2	P909 E910 N1206 S1208 Y1220 C1222 Q1238 L2668	P909-R1241 PolarHBondContact O-NH1 3.49Å; E910-R1241 HydrophobicContact CG-CB 3.78Å; E910-R1241 VanDerWaalsContact CG-CD 3.42Å; E910-R1241 HydrophobicContact CG-CG 3.5Å; N1206-R1241 WeakPolarHBondContact O-CB 3.01Å; N1206-R1241 VanDerWaalsContact O-CD 3.31Å; N1206-R1241 WeakPolarHBondContact O-CD 3.33Å; N1206-R1241 WeakPolarHBondContact O-CG 3.3Å; N1206-R1241 WeakPolarHBondContact OD1-CD 3.15Å; N1206-R1241 PolarHBondContact OD1-NE 3.33Å; N1206-R1241 PolarHBondContact OD1-NH2 2.69Å; S1208-R1241 WeakPolarHBondContact CA-O 3.29Å; S1208-R1241 VanDerWaalsContact CB-C 3.5Å; S1208-R1241 WeakPolarHBondContact CB-O 3.12Å; S1208-R1241 PolarHBondContact N-O 3.39Å; S1208-R1241 PolarHBondContact OG-O 2.87Å; Y1220-R1241 PolarHBondContact OH-NH2 3.21Å; C1222-R1241 HydrophobicContact CB-CG 4.5Å; Q1238-R1241 HydrophobicContact CB-CG 4.09Å; Q1238-R1241 VanDerWaalsContact CD-CZ 3.42Å; Q1238-R1241 VanDerWaalsContact CD-NH2 3.34Å; Q1238-R1241 WeakPolarHBondContact O-CG 3.03Å; Q1238-R1241 PolarHBondContact O-N 3Å; R1241-L2668 VanDerWaalsContact O-CB 3.32Å; R1241-L2668 WeakPolarHBondContact O-CB 3.41Å; R1241-L2668 VanDerWaalsContact O-CD2 3.24Å; R1241-L2668 WeakPolarHBondContact O-CD2 3.39Å
1242	V	56.1	Low	52	Low	0 Å²	0	37.7 Å²	37.7	0%	0	21%	0.21	C	C	.	.	S	Bend	trans	-142.5	77.6	-157.1	162	0	0	0	0	110.3	D908 E1231 S1232 G1240 T2669 A2670	D908-V1242 HydrophobicContact CB-CG2 4.23Å; D908-V1242 VanDerWaalsContact CG-CG2 3.46Å; D908-V1242 VanDerWaalsContact OD2-CG2 3.3Å; D908-V1242 WeakPolarHBondContact OD2-CG2 3.29Å; E1231-V1242 PolarHBondContact N-O 3.26Å; S1232-V1242 VanDerWaalsContact CA-CG1 3.44Å; S1232-V1242 PolarHBondContact N-O 2.78Å; G1240-V1242 PolarHBondContact O-N 3.18Å; V1242-T2669 VanDerWaalsContact CG1-C 3.5Å; V1242-T2669 HydrophobicContact CG1-CG2 4.02Å; V1242-T2669 WeakPolarHBondContact O-CG2 3.23Å; V1242-A2670 HydrophobicContact CG1-CB 4.27Å; V1242-A2670 HydrophobicContact CG2-CB 4.07Å
1243	C	59.4	Low	51.9	Low	0 Å²	0	43.8 Å²	43.8	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	123.7	-176.1	-41.4	0	0	0	0	114.8	S1208 N1210 C1224 F1228 K1229 G1240 T2669	S1208-C1243 PolarHBondContact OG-N 3.17Å; S1208-C1243 VanDerWaalsContact OG-N 3.13Å; N1210-C1243 HydrophobicContact CB-CB 3.96Å; N1210-C1243 WeakPolarHBondContact CB-O 3.34Å; N1210-C1243 PolarHBondContact ND2-O 2.97Å; C1224-C1243 WeakPolarHBondContact CA-SG 3.26Å; C1224-C1243 HydrophobicContact CB-CB 3.77Å; C1224-C1243 WeakPolarHBondContact CB-SG 3.19Å; C1224-C1243 WeakPolarHBondContact SG-CB 3.44Å; C1224-C1243 CovalentContact SG-SG 2.03Å; C1224-C1243 PolarHBondContact SG-SG 2.79Å; F1228-C1243 HydrophobicContact CB-CB 4.3Å; K1229-C1243 CarbonylContact O-C 3.48Å; K1229-C1243 WeakPolarHBondContact O-CA 3.38Å; G1240-C1243 WeakPolarHBondContact CA-SG 3.47Å; C1243-T2669 WeakPolarHBondContact CA-OG1 3.43Å; C1243-T2669 PolarHBondContact N-OG1 2.9Å; C1243-T2669 VanDerWaalsContact N-OG1 3.13Å; C1243-T2669 PolarHBondContact O-OG1 3.48Å
1244	K	52.4	Low	52.2	Low	51 Å²	51	47.9 Å²	47.9	22%	0.222	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	147.1	177.3	-87.3	-130.9	-166.3	-178.2	0	114.2	F1228 K1229 E1231 C1503 S1505 T2669	F1228-K1244 CarbonylContact C-O 3.59Å; F1228-K1244 WeakPolarHBondContact CA-O 3.35Å; K1229-K1244 PolarHBondContact N-O 2.85Å; K1229-K1244 PolarHBondContact O-N 3.5Å; E1231-K1244 HydrophobicContact CG-CB 4.46Å; K1244-C1503 PolarHBondContact NZ-O 2.97Å; K1244-S1505 WeakPolarHBondContact CG-OG 3.15Å; K1244-T2669 HydrophobicContact CB-CG2 4.03Å; K1244-T2669 VanDerWaalsContact CG-CB 3.49Å; K1244-T2669 HydrophobicContact CG-CG2 3.4Å; K1244-T2669 PolarHBondContact N-OG1 3.04Å
1245	P	50.5	Low	52.4	Low	7 Å²	7	49.6 Å²	49.6	5%	0.045	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	173.5	179.5	14.7	-14.2	0	0	0	116.6	F1228 V1247 K1537	F1228-P1245 VanDerWaalsContact CD1-CA 3.42Å; F1228-P1245 HydrophobicContact CD1-CB 3.37Å; F1228-P1245 HydrophobicContact CD1-CG 3.89Å; F1228-P1245 HydrophobicContact CE1-CB 3.39Å; F1228-P1245 HydrophobicContact CE1-CG 3.81Å; F1228-P1245 HydrophobicContact CG-CB 4.35Å; F1228-P1245 HydrophobicContact CZ-CB 4.31Å; P1245-V1247 HydrophobicContact CB-CG2 4.45Å; P1245-K1537 HydrophobicContact CB-CD 3.95Å; P1245-K1537 HydrophobicContact CB-CG 3.5Å; P1245-K1537 VanDerWaalsContact CB-CG 3.5Å; P1245-K1537 HydrophobicContact CG-CD 4.09Å; P1245-K1537 HydrophobicContact CG-CG 3.81Å; P1245-K1537 CarbonylContact O-C 3.53Å; P1245-K1537 VanDerWaalsContact O-CA 3.3Å; P1245-K1537 WeakPolarHBondContact O-CA 3.21Å; P1245-K1537 VanDerWaalsContact O-CG 3.31Å; P1245-K1537 WeakPolarHBondContact O-CG 3.03Å
1246	L	47.4	Very low	52.5	Low	12 Å²	12	48.4 Å²	48.4	6%	0.063	26%	0.255	C	S	.	.			trans	-139.6	62.2	-161.8	-52.4	-172.1	0	0	0	113.8	G1227 K1229 H1528 K1537 C1538 V1539	G1227-L1246 VanDerWaalsContact C-CD1 3.46Å; G1227-L1246 VanDerWaalsContact C-CG 3.46Å; G1227-L1246 WeakPolarHBondContact O-CB 2.98Å; G1227-L1246 WeakPolarHBondContact O-CG 3.31Å; G1227-L1246 PolarHBondContact O-N 3.22Å; K1229-L1246 HydrophobicContact CB-CD1 4.39Å; K1229-L1246 HydrophobicContact CB-CD2 3.71Å; L1246-H1528 WeakPolarHBondContact O-CB 3.1Å; L1246-K1537 CarbonylContact C-O 3.36Å; L1246-K1537 WeakPolarHBondContact CA-O 3.43Å; L1246-C1538 WeakPolarHBondContact CD2-O 3.38Å; L1246-V1539 HydrophobicContact CB-CB 3.74Å; L1246-V1539 HydrophobicContact CB-CG1 3.85Å; L1246-V1539 HydrophobicContact CB-CG2 3.63Å; L1246-V1539 HydrophobicContact CD1-CB 4.36Å; L1246-V1539 HydrophobicContact CD1-CG1 3.86Å; L1246-V1539 VanDerWaalsContact CD2-CA 3.47Å; L1246-V1539 HydrophobicContact CG-CB 4.39Å; L1246-V1539 HydrophobicContact CG-CG1 4.36Å; L1246-V1539 WeakPolarHBondContact O-CG2 3.2Å
1247	V	45.8	Very low	53.6	Low	26 Å²	26	47.4 Å²	47.4	16%	0.158	25%	0.245	C	C	.	.	S	Bend	trans	-162.8	164.9	-155.1	-165.1	0	0	0	0	115.4	P1245 E1249 Y1252 H1528 S1529 K1537	P1245-V1247 HydrophobicContact CB-CG2 4.45Å; V1247-E1249 PolarHBondContact O-N 3.37Å; V1247-Y1252 HydrophobicContact CG1-CD1 3.76Å; V1247-Y1252 HydrophobicContact CG1-CD2 3.45Å; V1247-Y1252 VanDerWaalsContact CG1-CD2 3.45Å; V1247-Y1252 HydrophobicContact CG1-CE1 3.6Å; V1247-Y1252 HydrophobicContact CG1-CE2 3.3Å; V1247-Y1252 HydrophobicContact CG1-CG 3.69Å; V1247-H1528 CarbonylContact C-O 3.56Å; V1247-S1529 WeakPolarHBondContact O-CA 3.24Å; V1247-S1529 PolarHBondContact O-N 2.86Å; V1247-K1537 HydrophobicContact CB-CD 3.7Å; V1247-K1537 VanDerWaalsContact CB-CE 3.49Å; V1247-K1537 HydrophobicContact CB-CG 4.11Å; V1247-K1537 HydrophobicContact CG2-CD 4.27Å; V1247-K1537 HydrophobicContact CG2-CG 4.44Å; V1247-K1537 VanDerWaalsContact N-CG 3.32Å; V1247-K1537 PolarHBondContact N-O 3.12Å; V1247-K1537 VanDerWaalsContact O-CB 3.29Å; V1247-K1537 WeakPolarHBondContact O-CB 3.35Å; V1247-K1537 WeakPolarHBondContact O-CD 3.43Å
1248	N	52.4	Low	54.1	Low	24 Å²	24	44.8 Å²	44.8	13%	0.128	22%	0.222	C	C	.	.			trans	-84	84.8	-162.2	-174.3	-57.7	0	0	0	115.8	C1250 E1251 Y1252 H1528 P1530	N1248-C1250 PolarHBondContact O-N 3.46Å; N1248-E1251 HydrophobicContact CB-CB 3.84Å; N1248-E1251 HydrophobicContact CB-CG 4.22Å; N1248-E1251 WeakPolarHBondContact CB-OE2 3.38Å; N1248-E1251 VanDerWaalsContact CG-CB 3.49Å; N1248-E1251 VanDerWaalsContact CG-CD 3.46Å; N1248-E1251 VanDerWaalsContact CG-CG 3.44Å; N1248-E1251 VanDerWaalsContact ND2-CD 3.33Å; N1248-E1251 PolarHBondContact ND2-OE2 3.31Å; N1248-E1251 CarbonylContact O-C 3.52Å; N1248-E1251 PolarHBondContact O-N 2.85Å; N1248-E1251 WeakPolarHBondContact OD1-CA 3.35Å; N1248-E1251 WeakPolarHBondContact OD1-CB 3.33Å; N1248-E1251 WeakPolarHBondContact OD1-CG 3.45Å; N1248-E1251 PolarHBondContact OD1-N 3.5Å; N1248-Y1252 HydrophobicContact CB-CD2 3.75Å; N1248-Y1252 HydrophobicContact CB-CE2 3.89Å; N1248-Y1252 WeakPolarHBondContact O-CB 3.41Å; N1248-Y1252 VanDerWaalsContact O-CD2 3.25Å; N1248-Y1252 WeakPolarHBondContact O-CD2 3.24Å; N1248-Y1252 PolarHBondContact O-N 3.43Å; N1248-H1528 WeakPolarHBondContact CA-O 2.87Å; N1248-H1528 WeakPolarHBondContact CB-O 3.08Å; N1248-H1528 PolarHBondContact N-O 3.3Å; N1248-P1530 HydrophobicContact CB-CB 4.18Å; N1248-P1530 VanDerWaalsContact CG-CA 3.44Å; N1248-P1530 WeakPolarHBondContact ND2-CA 3.3Å; N1248-P1530 WeakPolarHBondContact OD1-CB 3.42Å
1249	E	59.8	Low	54.8	Low	0 Å²	0	45.6 Å²	45.6	0%	0	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-31.3	-31.3	179.9	-76.1	51.6	-104.3	0	0	119.2	V1247 Y1252 L1255 N1256 Y1271 S1529 P1530 T1533 R1536 K1537	V1247-E1249 PolarHBondContact O-N 3.37Å; E1249-Y1252 CarbonylContact O-C 3.07Å; E1249-L1255 HydrophobicContact CB-CB 4.31Å; E1249-L1255 HydrophobicContact CG-CB 3.66Å; E1249-L1255 WeakPolarHBondContact CG-O 3.03Å; E1249-N1256 PolarHBondContact O-N 2.97Å; E1249-N1256 PolarHBondContact O-ND2 2.8Å; E1249-Y1271 HydrophobicContact CB-CD1 4.49Å; E1249-S1529 WeakPolarHBondContact OE2-CA 3.44Å; E1249-S1529 WeakPolarHBondContact OE2-CB 3.32Å; E1249-S1529 PolarHBondContact OE2-OG 3.48Å; E1249-P1530 HydrophobicContact CB-CG 3.7Å; E1249-P1530 VanDerWaalsContact N-CD 3.26Å; E1249-P1530 WeakPolarHBondContact OE2-CD 3.38Å; E1249-T1533 HydrophobicContact CB-CG2 4.06Å; E1249-T1533 WeakPolarHBondContact CB-OG1 3.34Å; E1249-T1533 HydrophobicContact CG-CG2 3.75Å; E1249-R1536 VanDerWaalsContact CD-CB 3.49Å; E1249-R1536 HydrophobicContact CG-CB 3.71Å; E1249-R1536 WeakPolarHBondContact OE2-CB 3.41Å; E1249-K1537 WeakPolarHBondContact OE1-CB 3.38Å; E1249-K1537 WeakPolarHBondContact OE1-CD 3.32Å
1250	C	61.1	Low	55.6	Low	31 Å²	31	49.4 Å²	49.4	21%	0.209	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.2	-5.2	173.4	-39.8	0	0	0	0	116.1	N1248 C1264 E1532	N1248-C1250 PolarHBondContact O-N 3.46Å; C1250-C1264 HydrophobicContact CB-CB 3.48Å; C1250-C1264 VanDerWaalsContact CB-CB 3.48Å; C1250-C1264 WeakPolarHBondContact CB-SG 3.2Å; C1250-C1264 WeakPolarHBondContact SG-CB 3.49Å; C1250-C1264 CovalentContact SG-SG 2.06Å; C1250-C1264 PolarHBondContact SG-SG 3.02Å; C1250-E1532 HydrophobicContact CB-CB 4.45Å; C1250-E1532 HydrophobicContact CB-CG 3.82Å; C1250-E1532 WeakPolarHBondContact CB-OE2 3.34Å; C1250-E1532 PolarHBondContact SG-OE2 3.38Å
1251	E	59	Low	55.7	Low	139 Å²	139	52.6 Å²	52.6	65%	0.65	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.2	-17.3	148.6	-77.1	176.2	151.6	0	0	110.5	N1248	N1248-E1251 HydrophobicContact CB-CB 3.84Å; N1248-E1251 HydrophobicContact CB-CG 4.22Å; N1248-E1251 WeakPolarHBondContact CB-OE2 3.38Å; N1248-E1251 VanDerWaalsContact CG-CB 3.49Å; N1248-E1251 VanDerWaalsContact CG-CD 3.46Å; N1248-E1251 VanDerWaalsContact CG-CG 3.44Å; N1248-E1251 VanDerWaalsContact ND2-CD 3.33Å; N1248-E1251 PolarHBondContact ND2-OE2 3.31Å; N1248-E1251 CarbonylContact O-C 3.52Å; N1248-E1251 PolarHBondContact O-N 2.85Å; N1248-E1251 WeakPolarHBondContact OD1-CA 3.35Å; N1248-E1251 WeakPolarHBondContact OD1-CB 3.33Å; N1248-E1251 WeakPolarHBondContact OD1-CG 3.45Å; N1248-E1251 PolarHBondContact OD1-N 3.5Å
1252	Y	53	Low	55.3	Low	105 Å²	105	52.8 Å²	52.8	41%	0.412	26%	0.256	S	S	.	.	S	Bend	trans	-131.6	84.3	-172.1	-65.3	-103.4	0	0	0	111.1	V1247 N1248 E1249 H1254 L1255	V1247-Y1252 HydrophobicContact CG1-CD1 3.76Å; V1247-Y1252 HydrophobicContact CG1-CD2 3.45Å; V1247-Y1252 VanDerWaalsContact CG1-CD2 3.45Å; V1247-Y1252 HydrophobicContact CG1-CE1 3.6Å; V1247-Y1252 HydrophobicContact CG1-CE2 3.3Å; V1247-Y1252 HydrophobicContact CG1-CG 3.69Å; N1248-Y1252 HydrophobicContact CB-CD2 3.75Å; N1248-Y1252 HydrophobicContact CB-CE2 3.89Å; N1248-Y1252 WeakPolarHBondContact O-CB 3.41Å; N1248-Y1252 VanDerWaalsContact O-CD2 3.25Å; N1248-Y1252 WeakPolarHBondContact O-CD2 3.24Å; N1248-Y1252 PolarHBondContact O-N 3.43Å; E1249-Y1252 CarbonylContact O-C 3.07Å; Y1252-H1254 PolarHBondContact O-N 2.8Å; Y1252-L1255 PolarHBondContact O-N 3.19Å
1253	E	48.4	Very low	56.2	Low	157 Å²	157	58.6 Å²	58.6	73%	0.734	28%	0.282	S	S	*	.	G	3₁₀ helix	trans	-39.7	-26.2	-171.9	-62.2	172.1	140.8	0	0	117.6	L1255 N1256	E1253-L1255 VanDerWaalsContact C-N 3.31Å; E1253-L1255 PolarHBondContact O-N 2.93Å; E1253-N1256 VanDerWaalsContact O-O 3.08Å
1254	H	48.7	Very low	56.6	Low	114 Å²	114	59.7 Å²	59.7	53%	0.528	29%	0.29	S	S	.	.	G	3₁₀ helix	trans	-82	4.4	-173.2	55	-83.1	0	0	0	115.3	Y1252 K1537	Y1252-H1254 PolarHBondContact O-N 2.8Å; H1254-K1537 PolarHBondContact NE2-NZ 2.96Å; H1254-K1537 VanDerWaalsContact NE2-NZ 3.17Å
1255	L	46.7	Very low	56.9	Low	36 Å²	36	58.9 Å²	58.9	19%	0.188	29%	0.289	C	S	.	.	G	3₁₀ helix	trans	-132.7	9.3	171.1	-58.1	99.4	0	0	0	114.4	E1249 Y1252 E1253 Y1271 K1537	E1249-L1255 HydrophobicContact CB-CB 4.31Å; E1249-L1255 HydrophobicContact CG-CB 3.66Å; E1249-L1255 WeakPolarHBondContact CG-O 3.03Å; Y1252-L1255 PolarHBondContact O-N 3.19Å; E1253-L1255 VanDerWaalsContact C-N 3.31Å; E1253-L1255 PolarHBondContact O-N 2.93Å; L1255-Y1271 VanDerWaalsContact O-CE1 3.27Å; L1255-Y1271 WeakPolarHBondContact O-CE1 3.16Å; L1255-K1537 HydrophobicContact CD1-CD 3.5Å; L1255-K1537 VanDerWaalsContact CD1-CE 3.4Å; L1255-K1537 HydrophobicContact CD2-CD 3.74Å; L1255-K1537 HydrophobicContact CD2-CG 4.45Å; L1255-K1537 HydrophobicContact CG-CD 4.21Å
1256	N	45.2	Very low	57.1	Low	23 Å²	23	63 Å²	63	12%	0.123	31%	0.311	C	S	.	.			trans	-99.9	144.2	149.3	73.7	87.4	0	0	0	109.7	E1249 E1253 C1258 C1264 Y1271	E1249-N1256 PolarHBondContact O-N 2.97Å; E1249-N1256 PolarHBondContact O-ND2 2.8Å; E1253-N1256 VanDerWaalsContact O-O 3.08Å; N1256-C1258 VanDerWaalsContact C-N 3.27Å; N1256-C1258 WeakPolarHBondContact OD1-CB 3.33Å; N1256-C1258 PolarHBondContact OD1-N 3Å; N1256-C1258 PolarHBondContact OD1-O 2.81Å; N1256-C1264 WeakPolarHBondContact CB-SG 3.13Å; N1256-Y1271 VanDerWaalsContact CA-CZ 3.49Å; N1256-Y1271 HydrophobicContact CB-CD1 3.63Å; N1256-Y1271 HydrophobicContact CB-CD2 4.23Å; N1256-Y1271 HydrophobicContact CB-CE1 3.53Å; N1256-Y1271 HydrophobicContact CB-CE2 4.1Å; N1256-Y1271 HydrophobicContact CB-CG 4.07Å
1257	D	65.2	Low	56.9	Low	68 Å²	68	64 Å²	64	36%	0.364	32%	0.317	S	S	.	.			trans	-98.3	20.5	171.8	72.5	-2.9	0	0	0	111	H1259 Y1271 R1292	D1257-H1259 PolarHBondContact O-N 3.3Å; D1257-Y1271 VanDerWaalsContact CG-OH 3.25Å; D1257-Y1271 PolarHBondContact N-OH 2.84Å; D1257-Y1271 VanDerWaalsContact OD1-CE2 3.28Å; D1257-Y1271 WeakPolarHBondContact OD1-CE2 3.44Å; D1257-Y1271 PolarHBondContact OD1-OH 2.99Å; D1257-R1292 VanDerWaalsContact OD1-CD 3.24Å; D1257-R1292 WeakPolarHBondContact OD1-CD 2.95Å; D1257-R1292 IonicContact OD1-CZ 2.76Å; D1257-R1292 IonicContact OD1-NE 2.73Å; D1257-R1292 PolarHBondContact OD1-NE 2.93Å; D1257-R1292 VanDerWaalsContact OD1-NE 3.09Å; D1257-R1292 IonicContact OD1-NH1 3.96Å; D1257-R1292 PolarHBondContact OD1-NH1 2.72Å; D1257-R1292 IonicContact OD1-NH2 3.84Å; D1257-R1292 IonicContact OD2-CZ 3.95Å; D1257-R1292 IonicContact OD2-NE 2.62Å; D1257-R1292 IonicContact OD2-NH1 3.35Å; D1257-R1292 PolarHBondContact OD2-NH1 2.89Å
1258	C	65.2	Low	56.8	Low	13 Å²	13	70.1 Å²	70.1	9%	0.088	34%	0.343	C	S	.	.			trans	-72.1	125.1	167.3	-48	0	0	0	0	107.6	N1256 A1262 Y1271 C1273	N1256-C1258 VanDerWaalsContact C-N 3.27Å; N1256-C1258 WeakPolarHBondContact OD1-CB 3.33Å; N1256-C1258 PolarHBondContact OD1-N 3Å; N1256-C1258 PolarHBondContact OD1-O 2.81Å; C1258-A1262 HydrophobicContact CB-CB 3.57Å; C1258-Y1271 WeakPolarHBondContact SG-CD2 3.33Å; C1258-C1273 WeakPolarHBondContact CA-SG 3.14Å; C1258-C1273 HydrophobicContact CB-CB 3.52Å; C1258-C1273 WeakPolarHBondContact CB-SG 3.4Å; C1258-C1273 PolarHBondContact N-SG 2.69Å; C1258-C1273 VanDerWaalsContact N-SG 3.42Å; C1258-C1273 WeakPolarHBondContact SG-CA 3.17Å; C1258-C1273 WeakPolarHBondContact SG-CB 3.24Å; C1258-C1273 CovalentContact SG-SG 2.03Å; C1258-C1273 PolarHBondContact SG-SG 3.21Å
1259	H	64.1	Low	56.6	Low	70 Å²	70	69.3 Å²	69.3	32%	0.324	34%	0.339	S	S	.	.			trans	-64	160.8	-176.1	-173.8	-79.3	0	0	0	110.9	D1257 E1261 A1262 G1291 C1294 H1295	D1257-H1259 PolarHBondContact O-N 3.3Å; H1259-E1261 PolarHBondContact O-N 3.03Å; H1259-A1262 VanDerWaalsContact O-CA 3.3Å; H1259-A1262 WeakPolarHBondContact O-CA 3.09Å; H1259-A1262 WeakPolarHBondContact O-CB 3.46Å; H1259-A1262 PolarHBondContact O-N 2.81Å; H1259-G1291 PolarHBondContact N-O 3.03Å; H1259-C1294 VanDerWaalsContact CB-SG 3.57Å; H1259-C1294 PolarHBondContact CE1-O 3.06Å; H1259-C1294 PolarHBondContact ND1-N 2.97Å; H1259-C1294 PolarHBondContact ND1-O 3.41Å; H1259-H1295 PolarHBondContact CE1-N 3.39Å
1260	Q	63.7	Low	56.3	Low	154 Å²	154	69.5 Å²	69.5	72%	0.72	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	-26	-170.5	-68.1	179	-4.4	0	0	114.8	K1276	Q1260-K1276 PolarHBondContact O-NZ 3.06Å
1261	E	61.8	Low	56.3	Low	67 Å²	67	68.5 Å²	68.5	31%	0.313	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.8	9.8	173.6	-62	-78.6	-148.3	0	0	114.2	H1259 C1275 K1276 F1279	H1259-E1261 PolarHBondContact O-N 3.03Å; E1261-C1275 VanDerWaalsContact O-CA 3.24Å; E1261-C1275 WeakPolarHBondContact O-CA 3.42Å; E1261-C1275 WeakPolarHBondContact O-CB 3.43Å; E1261-K1276 VanDerWaalsContact C-CE 3.42Å; E1261-K1276 HydrophobicContact CB-CD 4.44Å; E1261-K1276 WeakPolarHBondContact O-CD 3.25Å; E1261-K1276 WeakPolarHBondContact O-CE 3.38Å; E1261-K1276 VanDerWaalsContact O-CG 3.24Å; E1261-K1276 WeakPolarHBondContact O-CG 3.13Å; E1261-K1276 PolarHBondContact O-N 3.2Å; E1261-K1276 VanDerWaalsContact O-N 3.11Å; E1261-K1276 VanDerWaalsContact OE2-CD 3.26Å; E1261-K1276 WeakPolarHBondContact OE2-CD 3.48Å; E1261-K1276 IonicContact OE2-NZ 3.42Å; E1261-K1276 PolarHBondContact OE2-NZ 2.83Å; E1261-F1279 HydrophobicContact CB-CD1 4.08Å; E1261-F1279 HydrophobicContact CB-CE1 3.45Å; E1261-F1279 VanDerWaalsContact CB-CE1 3.45Å; E1261-F1279 HydrophobicContact CB-CZ 4.36Å; E1261-F1279 HydrophobicContact CG-CE1 3.58Å; E1261-F1279 HydrophobicContact CG-CZ 4.05Å
1262	A	56.4	Low	56.4	Low	12 Å²	12	62.2 Å²	62.2	10%	0.099	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	152.9	163.6	0	0	0	0	0	111.9	C1258 H1259 C1275 K1276 G1291 C1294	C1258-A1262 HydrophobicContact CB-CB 3.57Å; H1259-A1262 VanDerWaalsContact O-CA 3.3Å; H1259-A1262 WeakPolarHBondContact O-CA 3.09Å; H1259-A1262 WeakPolarHBondContact O-CB 3.46Å; H1259-A1262 PolarHBondContact O-N 2.81Å; A1262-C1275 WeakPolarHBondContact CA-SG 3.47Å; A1262-K1276 WeakPolarHBondContact O-CE 2.92Å; A1262-K1276 PolarHBondContact O-NZ 2.89Å; A1262-G1291 VanDerWaalsContact CB-O 3.24Å; A1262-G1291 WeakPolarHBondContact CB-O 3.04Å; A1262-C1294 PolarHBondContact N-SG 2.04Å
1263	E	73.2	Confident	57.1	Low	121 Å²	121	57.2 Å²	57.2	57%	0.565	28%	0.284	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.5	115.1	156.2	-161.7	163.6	-147.9	0	0	105.8	R1274	E1263-R1274 WeakPolarHBondContact CA-O 3.29Å; E1263-R1274 WeakPolarHBondContact CB-O 3.41Å; E1263-R1274 PolarHBondContact N-O 3.17Å; E1263-R1274 PolarHBondContact O-N 3.03Å
1264	C	67.6	Low	57.6	Low	23 Å²	23	54 Å²	54	16%	0.155	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	151.9	166	-141.7	0	0	0	0	108.4	C1250 N1256 Q1272 E1532	C1250-C1264 HydrophobicContact CB-CB 3.48Å; C1250-C1264 VanDerWaalsContact CB-CB 3.48Å; C1250-C1264 WeakPolarHBondContact CB-SG 3.2Å; C1250-C1264 WeakPolarHBondContact SG-CB 3.49Å; C1250-C1264 CovalentContact SG-SG 2.06Å; C1250-C1264 PolarHBondContact SG-SG 3.02Å; N1256-C1264 WeakPolarHBondContact CB-SG 3.13Å; C1264-Q1272 CarbonylContact C-O 3.36Å; C1264-E1532 WeakPolarHBondContact CB-OE2 3.31Å
1265	T	58.8	Low	58.4	Low	34 Å²	34	48.7 Å²	48.7	21%	0.209	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	142.3	-177.6	52.2	0	0	0	0	116.6	L1267 Q1272 E1532	T1265-L1267 PolarHBondContact O-N 3.33Å; T1265-Q1272 PolarHBondContact N-O 3.11Å; T1265-Q1272 PolarHBondContact O-N 3.29Å; T1265-Q1272 PolarHBondContact OG1-O 2.81Å; T1265-E1532 VanDerWaalsContact C-CD 3.45Å; T1265-E1532 VanDerWaalsContact C-OE1 3.24Å; T1265-E1532 WeakPolarHBondContact CA-OE1 3.43Å; T1265-E1532 PolarHBondContact N-OE2 2.96Å; T1265-E1532 VanDerWaalsContact N-OE2 3.15Å
1266	D	54.5	Low	59.3	Low	94 Å²	94	50.6 Å²	50.6	50%	0.503	25%	0.248	S	C	.	.			trans	-62.4	93.6	-166.8	-106.9	176.4	0	0	0	116.9	P1531 E1532	D1266-P1531 WeakPolarHBondContact OD2-CA 3.4Å; D1266-P1531 WeakPolarHBondContact OD2-CB 3.46Å; D1266-P1531 WeakPolarHBondContact OD2-CG 3.16Å; D1266-E1532 VanDerWaalsContact CA-CA 3.45Å; D1266-E1532 VanDerWaalsContact CA-OE1 3.29Å; D1266-E1532 WeakPolarHBondContact CA-OE1 3.45Å; D1266-E1532 WeakPolarHBondContact CB-OE1 3.42Å; D1266-E1532 VanDerWaalsContact CG-OE1 3.27Å; D1266-E1532 PolarHBondContact N-OE1 3.13Å; D1266-E1532 WeakPolarHBondContact OD2-CA 3.29Å; D1266-E1532 WeakPolarHBondContact OD2-CG 3.43Å; D1266-E1532 PolarHBondContact OD2-N 2.73Å
1267	L	44.5	Very low	59.9	Low	34 Å²	34	55.5 Å²	55.5	18%	0.178	28%	0.281	C	S	.	.			trans	-123.8	138	161.6	-20.4	165.8	0	0	0	115.3	T1265 D1269 G1270 Q1272 P1531 E1532 T1533 P1534	T1265-L1267 PolarHBondContact O-N 3.33Å; L1267-D1269 PolarHBondContact O-N 3.39Å; L1267-G1270 WeakPolarHBondContact CB-O 3.22Å; L1267-G1270 WeakPolarHBondContact CD1-O 3.48Å; L1267-G1270 VanDerWaalsContact CG-O 3.31Å; L1267-G1270 WeakPolarHBondContact CG-O 3.05Å; L1267-G1270 PolarHBondContact O-N 3.11Å; L1267-G1270 VanDerWaalsContact O-N 3.08Å; L1267-Q1272 HydrophobicContact CD1-CB 4.4Å; L1267-P1531 CarbonylContact C-O 3.35Å; L1267-E1532 PolarHBondContact N-O 2.76Å; L1267-E1532 CarbonylContact O-C 2.96Å; L1267-E1532 VanDerWaalsContact O-O 3.12Å; L1267-T1533 PolarHBondContact O-N 3.17Å; L1267-P1534 VanDerWaalsContact O-CD 3.24Å; L1267-P1534 WeakPolarHBondContact O-CD 3.35Å
1268	E	43.8	Very low	59.2	Low	153 Å²	153	55 Å²	55	72%	0.715	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.9	24.1	-166.8	-152.1	-170.5	-161.2	0	0	116.3	P1534	E1268-P1534 VanDerWaalsContact C-CD 3.44Å; E1268-P1534 VanDerWaalsContact C-CG 3.48Å; E1268-P1534 HydrophobicContact CG-CG 4.19Å; E1268-P1534 WeakPolarHBondContact O-CB 3.19Å
1269	D	47.6	Very low	58.9	Low	7 Å²	7	56.5 Å²	56.5	4%	0.037	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-163.9	16.7	159.7	-73.5	-45.3	0	0	0	111.7	L1267 T1518 C1519 P1534 R2604	L1267-D1269 PolarHBondContact O-N 3.39Å; D1269-T1518 HydrophobicContact CB-CG2 3.94Å; D1269-T1518 WeakPolarHBondContact CB-OG1 3.4Å; D1269-T1518 VanDerWaalsContact CG-OG1 3.3Å; D1269-T1518 WeakPolarHBondContact O-CA 3.41Å; D1269-T1518 WeakPolarHBondContact O-CB 3.31Å; D1269-T1518 PolarHBondContact OD2-OG1 3.12Å; D1269-C1519 WeakPolarHBondContact CB-O 3.4Å; D1269-C1519 VanDerWaalsContact CG-O 3.29Å; D1269-C1519 PolarHBondContact O-N 2.57Å; D1269-P1534 CarbonylContact C-O 3.56Å; D1269-P1534 WeakPolarHBondContact CA-O 3.41Å; D1269-P1534 VanDerWaalsContact O-O 3.06Å; D1269-R2604 IonicContact OD1-NH1 2.87Å; D1269-R2604 PolarHBondContact OD1-NH1 3.15Å; D1269-R2604 WeakPolarHBondContact OD2-CB 3.47Å; D1269-R2604 VanDerWaalsContact OD2-CD 3.22Å; D1269-R2604 WeakPolarHBondContact OD2-CD 3.2Å; D1269-R2604 WeakPolarHBondContact OD2-CG 3.39Å; D1269-R2604 IonicContact OD2-CZ 3.26Å; D1269-R2604 IonicContact OD2-NE 2.77Å; D1269-R2604 IonicContact OD2-NH1 2.85Å; D1269-R2604 PolarHBondContact OD2-NH1 3.41Å
1270	G	53.1	Low	58.7	Low	5 Å²	5	55 Å²	55	5%	0.052	29%	0.293	C	S	.	.	S	Bend	trans	167.8	141.7	-177.1	0	0	0	0	0	114.3	L1267 E1532	L1267-G1270 WeakPolarHBondContact CB-O 3.22Å; L1267-G1270 WeakPolarHBondContact CD1-O 3.48Å; L1267-G1270 VanDerWaalsContact CG-O 3.31Å; L1267-G1270 WeakPolarHBondContact CG-O 3.05Å; L1267-G1270 PolarHBondContact O-N 3.11Å; L1267-G1270 VanDerWaalsContact O-N 3.08Å; G1270-E1532 CarbonylContact C-O 3.42Å; G1270-E1532 VanDerWaalsContact O-O 3.12Å
1271	Y	60.9	Low	58.7	Low	9 Å²	9	47.9 Å²	47.9	4%	0.035	26%	0.26	C	S	.	.			trans	-90.3	167.7	-173.5	62.7	-102.2	0	0	0	112.5	E1249 L1255 N1256 D1257 C1258 C1273 E1532 T1533 R1536	E1249-Y1271 HydrophobicContact CB-CD1 4.49Å; L1255-Y1271 VanDerWaalsContact O-CE1 3.27Å; L1255-Y1271 WeakPolarHBondContact O-CE1 3.16Å; N1256-Y1271 VanDerWaalsContact CA-CZ 3.49Å; N1256-Y1271 HydrophobicContact CB-CD1 3.63Å; N1256-Y1271 HydrophobicContact CB-CD2 4.23Å; N1256-Y1271 HydrophobicContact CB-CE1 3.53Å; N1256-Y1271 HydrophobicContact CB-CE2 4.1Å; N1256-Y1271 HydrophobicContact CB-CG 4.07Å; D1257-Y1271 VanDerWaalsContact CG-OH 3.25Å; D1257-Y1271 PolarHBondContact N-OH 2.84Å; D1257-Y1271 VanDerWaalsContact OD1-CE2 3.28Å; D1257-Y1271 WeakPolarHBondContact OD1-CE2 3.44Å; D1257-Y1271 PolarHBondContact OD1-OH 2.99Å; C1258-Y1271 WeakPolarHBondContact SG-CD2 3.33Å; Y1271-C1273 VanDerWaalsContact CE2-SG 3.57Å; Y1271-E1532 WeakPolarHBondContact CA-O 3.47Å; Y1271-E1532 VanDerWaalsContact CB-O 3.24Å; Y1271-E1532 WeakPolarHBondContact CB-O 3.38Å; Y1271-E1532 PolarHBondContact N-O 3.29Å; Y1271-T1533 WeakPolarHBondContact CB-OG1 3.4Å; Y1271-T1533 HydrophobicContact CD1-CG2 3.38Å; Y1271-T1533 WeakPolarHBondContact CD1-OG1 3.42Å; Y1271-T1533 HydrophobicContact CE1-CG2 3.95Å; Y1271-T1533 HydrophobicContact CG-CG2 4.25Å; Y1271-R1536 VanDerWaalsContact CE1-CZ 3.44Å; Y1271-R1536 PolarHBondContact OH-NH1 3.41Å
1272	Q	61.8	Low	58.8	Low	7 Å²	7	47 Å²	47	3%	0.033	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	148.3	168.4	169.5	159.9	62.1	0	0	111.2	C1264 T1265 L1267 E2582 A2608 A2610	C1264-Q1272 CarbonylContact C-O 3.36Å; T1265-Q1272 PolarHBondContact N-O 3.11Å; T1265-Q1272 PolarHBondContact O-N 3.29Å; T1265-Q1272 PolarHBondContact OG1-O 2.81Å; L1267-Q1272 HydrophobicContact CD1-CB 4.4Å; Q1272-E2582 WeakPolarHBondContact CB-OE2 3.44Å; Q1272-E2582 VanDerWaalsContact CD-OE2 3.25Å; Q1272-E2582 WeakPolarHBondContact CG-OE2 3.4Å; Q1272-E2582 PolarHBondContact NE2-OE2 3.4Å; Q1272-A2608 PolarHBondContact OE1-O 2.62Å; Q1272-A2608 VanDerWaalsContact OE1-O 3.14Å; Q1272-A2610 HydrophobicContact CG-CB 3.98Å; Q1272-A2610 VanDerWaalsContact OE1-CB 3.22Å
1273	C	67.2	Low	58.8	Low	0 Å²	0	46.7 Å²	46.7	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	144.1	-175.6	-50.2	0	0	0	0	112.4	C1258 Y1271 S1290 G1291 R1292	C1258-C1273 WeakPolarHBondContact CA-SG 3.14Å; C1258-C1273 HydrophobicContact CB-CB 3.52Å; C1258-C1273 WeakPolarHBondContact CB-SG 3.4Å; C1258-C1273 PolarHBondContact N-SG 2.69Å; C1258-C1273 VanDerWaalsContact N-SG 3.42Å; C1258-C1273 WeakPolarHBondContact SG-CA 3.17Å; C1258-C1273 WeakPolarHBondContact SG-CB 3.24Å; C1258-C1273 CovalentContact SG-SG 2.03Å; C1258-C1273 PolarHBondContact SG-SG 3.21Å; Y1271-C1273 VanDerWaalsContact CE2-SG 3.57Å; C1273-S1290 VanDerWaalsContact O-O 3.13Å; C1273-G1291 VanDerWaalsContact CB-C 3.48Å; C1273-G1291 WeakPolarHBondContact CB-O 3.48Å; C1273-R1292 HydrophobicContact CB-CG 4.09Å
1274	R	59.6	Low	57.5	Low	89 Å²	89	43.3 Å²	43.3	34%	0.336	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.1	109.8	175.1	-175.4	-152.4	179.5	88.1	21.1	113.3	E1263 S1290 A2610 A2611 S2612 G2613	E1263-R1274 WeakPolarHBondContact CA-O 3.29Å; E1263-R1274 WeakPolarHBondContact CB-O 3.41Å; E1263-R1274 PolarHBondContact N-O 3.17Å; E1263-R1274 PolarHBondContact O-N 3.03Å; R1274-S1290 WeakPolarHBondContact CA-O 3.43Å; R1274-A2610 WeakPolarHBondContact CB-O 3.2Å; R1274-A2610 VanDerWaalsContact CD-O 3.29Å; R1274-A2610 WeakPolarHBondContact CD-O 3.47Å; R1274-A2610 WeakPolarHBondContact CG-O 3.43Å; R1274-A2610 PolarHBondContact NH1-O 2.87Å; R1274-A2611 PolarHBondContact NH1-O 2.86Å; R1274-A2611 PolarHBondContact NH2-O 3.31Å; R1274-S2612 VanDerWaalsContact CG-C 3.4Å; R1274-S2612 PolarHBondContact NE-O 2.92Å; R1274-S2612 VanDerWaalsContact NE-O 3.17Å; R1274-S2612 PolarHBondContact NH2-O 3.06Å; R1274-S2612 PolarHBondContact NH2-OG 3.14Å; R1274-G2613 VanDerWaalsContact CG-N 3.32Å
1275	C	66.4	Low	56.6	Low	4 Å²	4	48.5 Å²	48.5	3%	0.027	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	171	179.4	-40.1	0	0	0	0	117.6	E1261 A1262 C1294 G2613 S2614	E1261-C1275 VanDerWaalsContact O-CA 3.24Å; E1261-C1275 WeakPolarHBondContact O-CA 3.42Å; E1261-C1275 WeakPolarHBondContact O-CB 3.43Å; A1262-C1275 WeakPolarHBondContact CA-SG 3.47Å; C1275-C1294 HydrophobicContact CB-CB 3.61Å; C1275-C1294 WeakPolarHBondContact CB-SG 2.8Å; C1275-C1294 WeakPolarHBondContact SG-CB 3.15Å; C1275-C1294 CovalentContact SG-SG 2.04Å; C1275-C1294 PolarHBondContact SG-SG 3.09Å; C1275-G2613 WeakPolarHBondContact CB-O 3.33Å; C1275-G2613 PolarHBondContact N-O 2.9Å; C1275-G2613 WeakPolarHBondContact O-CA 3.03Å; C1275-G2613 PolarHBondContact SG-O 3.29Å; C1275-S2614 WeakPolarHBondContact CB-O 3.09Å
1276	K	63.8	Low	56.3	Low	76 Å²	76	50.6 Å²	50.6	33%	0.33	29%	0.293	S	S	.	.	P	Polyproline II helix	trans	-89	154.4	-165.6	-59.9	151.1	-156.6	171.1	0	110.5	Q1260 E1261 A1262 F1279 S2614	Q1260-K1276 PolarHBondContact O-NZ 3.06Å; E1261-K1276 VanDerWaalsContact C-CE 3.42Å; E1261-K1276 HydrophobicContact CB-CD 4.44Å; E1261-K1276 WeakPolarHBondContact O-CD 3.25Å; E1261-K1276 WeakPolarHBondContact O-CE 3.38Å; E1261-K1276 VanDerWaalsContact O-CG 3.24Å; E1261-K1276 WeakPolarHBondContact O-CG 3.13Å; E1261-K1276 PolarHBondContact O-N 3.2Å; E1261-K1276 VanDerWaalsContact O-N 3.11Å; E1261-K1276 VanDerWaalsContact OE2-CD 3.26Å; E1261-K1276 WeakPolarHBondContact OE2-CD 3.48Å; E1261-K1276 IonicContact OE2-NZ 3.42Å; E1261-K1276 PolarHBondContact OE2-NZ 2.83Å; A1262-K1276 WeakPolarHBondContact O-CE 2.92Å; A1262-K1276 PolarHBondContact O-NZ 2.89Å; K1276-F1279 WeakPolarHBondContact O-CB 3.09Å; K1276-S2614 PolarHBondContact O-OG 3.01Å
1277	P	58.7	Low	56	Low	126 Å²	126	48.9 Å²	48.9	82%	0.818	30%	0.297	S	S	*	.	S	Bend	trans	-78.4	150.6	-178.8	-16.9	32.4	0	0	0	115
1278	G	51.3	Low	56.5	Low	57 Å²	57	51.1 Å²	51.1	59%	0.588	31%	0.309	S	S	*	.	S	Bend	trans	111.7	21.1	-176	0	0	0	0	0	114.4
1279	F	57.5	Low	56.9	Low	44 Å²	44	43.9 Å²	43.9	19%	0.193	28%	0.275	C	S	.	.	S	Bend		178.2	132.7	-126	-98.5	-114.7	0	0	0	101.5	E1261 K1276 P1297 S2614 S2615	E1261-F1279 HydrophobicContact CB-CD1 4.08Å; E1261-F1279 HydrophobicContact CB-CE1 3.45Å; E1261-F1279 VanDerWaalsContact CB-CE1 3.45Å; E1261-F1279 HydrophobicContact CB-CZ 4.36Å; E1261-F1279 HydrophobicContact CG-CE1 3.58Å; E1261-F1279 HydrophobicContact CG-CZ 4.05Å; K1276-F1279 WeakPolarHBondContact O-CB 3.09Å; F1279-P1297 HydrophobicContact CE2-CG 4.15Å; F1279-S2614 WeakPolarHBondContact CB-O 3.37Å; F1279-S2614 WeakPolarHBondContact CD1-O 3.35Å; F1279-S2614 VanDerWaalsContact O-CB 3.27Å; F1279-S2614 WeakPolarHBondContact O-CB 2.97Å; F1279-S2614 PolarHBondContact O-OG 3.34Å; F1279-S2615 WeakPolarHBondContact CD1-OG 2.96Å; F1279-S2615 WeakPolarHBondContact CE1-OG 3.29Å
1280	V	60.8	Low	57.1	Low	40 Å²	40	43.5 Å²	43.5	24%	0.242	27%	0.274	C	S	.	.	B	Isolated β-bridge	trans	-129.2	153.4	-171	-139.8	0	0	0	0	115.5	E2577 S2614 S2615 E2616 Y2617	V1280-E2577 VanDerWaalsContact CG1-O 3.23Å; V1280-E2577 WeakPolarHBondContact CG1-O 3.5Å; V1280-S2614 VanDerWaalsContact C-CB 3.49Å; V1280-S2614 CarbonylContact O-C 3.31Å; V1280-S2614 WeakPolarHBondContact O-CA 3.5Å; V1280-S2615 CarbonylContact O-C 3.36Å; V1280-S2615 WeakPolarHBondContact O-CA 3.13Å; V1280-S2615 PolarHBondContact O-N 3.02Å; V1280-E2616 HydrophobicContact CB-CB 3.89Å; V1280-E2616 HydrophobicContact CG2-CB 4.4Å; V1280-E2616 WeakPolarHBondContact CG2-O 3.38Å; V1280-E2616 PolarHBondContact N-O 2.61Å; V1280-E2616 WeakPolarHBondContact O-CA 3.06Å; V1280-E2616 WeakPolarHBondContact O-CB 3.33Å; V1280-E2616 PolarHBondContact O-N 3.02Å; V1280-Y2617 HydrophobicContact CG2-CD2 3.72Å; V1280-Y2617 HydrophobicContact CG2-CE2 3.53Å; V1280-Y2617 HydrophobicContact CG2-CG 4.36Å
1281	D	63.7	Low	57.4	Low	4 Å²	4	43.3 Å²	43.3	2%	0.021	27%	0.271	C	S	.	.			trans	-98.6	107.7	-159.3	-160.6	-7.9	0	0	0	116.8	S1283 S1290 E2579 S2612 G2613 S2614	D1281-S1283 VanDerWaalsContact C-N 3.27Å; D1281-S1283 PolarHBondContact O-N 3.5Å; D1281-S1283 WeakPolarHBondContact OD1-CB 3.35Å; D1281-S1283 PolarHBondContact OD1-N 3.34Å; D1281-S1283 PolarHBondContact OD1-OG 2.81Å; D1281-S1290 VanDerWaalsContact OD2-C 3.3Å; D1281-S1290 WeakPolarHBondContact OD2-CA 3.41Å; D1281-S1290 WeakPolarHBondContact OD2-CB 3.47Å; D1281-E2579 WeakPolarHBondContact CB-O 3.35Å; D1281-S2612 WeakPolarHBondContact OD2-CA 3.3Å; D1281-G2613 VanDerWaalsContact CG-C 3.41Å; D1281-G2613 VanDerWaalsContact OD2-C 3.31Å; D1281-S2614 PolarHBondContact OD1-N 3.07Å
1282	I	63.4	Low	57.9	Low	49 Å²	49	44.5 Å²	44.5	25%	0.251	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-21.8	180	-4.2	177.5	0	0	0	113	A1284 N1285 A1293 E2616	I1282-A1284 PolarHBondContact O-N 3.35Å; I1282-A1284 VanDerWaalsContact O-N 3.13Å; I1282-N1285 WeakPolarHBondContact O-CB 3.34Å; I1282-N1285 PolarHBondContact O-N 2.87Å; I1282-A1293 HydrophobicContact CD1-CB 3.76Å; I1282-A1293 HydrophobicContact CG1-CB 4.01Å; I1282-E2616 HydrophobicContact CB-CG 3.95Å; I1282-E2616 HydrophobicContact CG1-CB 4.43Å; I1282-E2616 HydrophobicContact CG1-CG 3.74Å; I1282-E2616 VanDerWaalsContact CG1-N 3.34Å; I1282-E2616 HydrophobicContact CG2-CG 3.79Å
1283	S	56.1	Low	57.9	Low	4 Å²	4	45.6 Å²	45.6	3%	0.028	29%	0.286	C	S	.	.	H	α-helix	trans	-64.9	-28.9	-159.8	-35.2	0	0	0	0	112.6	D1281 N1285 A1286 G1287 L1288 T1289 G1291	D1281-S1283 VanDerWaalsContact C-N 3.27Å; D1281-S1283 PolarHBondContact O-N 3.5Å; D1281-S1283 WeakPolarHBondContact OD1-CB 3.35Å; D1281-S1283 PolarHBondContact OD1-N 3.34Å; D1281-S1283 PolarHBondContact OD1-OG 2.81Å; S1283-N1285 PolarHBondContact O-N 3.08Å; S1283-A1286 PolarHBondContact O-N 3.07Å; S1283-G1287 PolarHBondContact O-N 3.23Å; S1283-G1287 VanDerWaalsContact O-N 3.13Å; S1283-L1288 CarbonylContact C-O 3.59Å; S1283-L1288 WeakPolarHBondContact CB-O 3.35Å; S1283-L1288 PolarHBondContact O-N 2.88Å; S1283-L1288 VanDerWaalsContact O-O 3.11Å; S1283-T1289 WeakPolarHBondContact CB-O 3.34Å; S1283-T1289 PolarHBondContact OG-O 2.59Å; S1283-G1291 PolarHBondContact OG-N 3.31Å
1284	A	46.8	Very low	57.6	Low	50 Å²	50	45.7 Å²	45.7	41%	0.413	29%	0.286	S	S	.	.	H	α-helix	trans	-56.1	-31.1	169.9	0	0	0	0	0	114.8	I1282 E2579	I1282-A1284 PolarHBondContact O-N 3.35Å; I1282-A1284 VanDerWaalsContact O-N 3.13Å; A1284-E2579 VanDerWaalsContact CB-C 3.48Å; A1284-E2579 WeakPolarHBondContact CB-O 3.12Å; A1284-E2579 PolarHBondContact N-O 3.43Å
1285	N	48.9	Very low	57.6	Low	133 Å²	133	44.2 Å²	44.2	71%	0.711	28%	0.283	S	S	*	.	H	α-helix	trans	-82.9	-18.5	-177.6	-65.6	-40.3	0	0	0	112.5	I1282 S1283	I1282-N1285 WeakPolarHBondContact O-CB 3.34Å; I1282-N1285 PolarHBondContact O-N 2.87Å; S1283-N1285 PolarHBondContact O-N 3.08Å
1286	A	52.9	Low	57.1	Low	77 Å²	77	48.9 Å²	48.9	64%	0.636	30%	0.303	S	S	*	.	H	α-helix	trans	-101.8	-12.7	177.7	0	0	0	0	0	114.1	S1283	S1283-A1286 PolarHBondContact O-N 3.07Å
1287	G	47	Very low	56.5	Low	58 Å²	58	47.8 Å²	47.8	60%	0.598	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.7	34.3	-175.4	0	0	0	0	0	113.7	S1283	S1283-G1287 PolarHBondContact O-N 3.23Å; S1283-G1287 VanDerWaalsContact O-N 3.13Å
1288	L	55	Low	56.3	Low	81 Å²	81	43.6 Å²	43.6	42%	0.424	28%	0.276	S	S	.	.	S	Bend	trans	-131.3	163.3	-177.1	-91.7	155.2	0	0	0	110.8	S1283 S1290 S2581	S1283-L1288 CarbonylContact C-O 3.59Å; S1283-L1288 WeakPolarHBondContact CB-O 3.35Å; S1283-L1288 PolarHBondContact O-N 2.88Å; S1283-L1288 VanDerWaalsContact O-O 3.11Å; L1288-S1290 PolarHBondContact O-N 3.19Å; L1288-S2581 CarbonylContact C-O 3.58Å; L1288-S2581 VanDerWaalsContact CA-O 3.31Å; L1288-S2581 WeakPolarHBondContact CA-O 3.15Å
1289	T	51.9	Low	56.7	Low	1 Å²	1	44.5 Å²	44.5	1%	0.006	27%	0.268	C	S	.	.			trans	-61.4	138	-167.4	-36.9	0	0	0	0	111.5	S1283 G1291 R1292 S2581 E2582	S1283-T1289 WeakPolarHBondContact CB-O 3.34Å; S1283-T1289 PolarHBondContact OG-O 2.59Å; T1289-G1291 PolarHBondContact O-N 3.29Å; T1289-R1292 PolarHBondContact O-N 2.82Å; T1289-R1292 PolarHBondContact OG1-NE 3.16Å; T1289-S2581 VanDerWaalsContact CA-O 3.24Å; T1289-S2581 WeakPolarHBondContact CA-O 3.14Å; T1289-S2581 PolarHBondContact N-O 3.03Å; T1289-E2582 WeakPolarHBondContact CB-OE1 3.13Å; T1289-E2582 HydrophobicContact CG2-CB 3.74Å; T1289-E2582 HydrophobicContact CG2-CG 4.04Å; T1289-E2582 VanDerWaalsContact CG2-OE1 3.28Å; T1289-E2582 WeakPolarHBondContact CG2-OE1 2.83Å; T1289-E2582 WeakPolarHBondContact OG1-CA 3.48Å; T1289-E2582 WeakPolarHBondContact OG1-CB 3.32Å; T1289-E2582 WeakPolarHBondContact OG1-CG 3.45Å; T1289-E2582 PolarHBondContact OG1-OE1 2.94Å
1290	S	53.2	Low	57.2	Low	0 Å²	0	43 Å²	43	0%	0	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-45.4	57.4	162.3	-35.9	0	0	0	0	115.9	C1273 R1274 D1281 L1288 G2580 S2581 S2612 G2613	C1273-S1290 VanDerWaalsContact O-O 3.13Å; R1274-S1290 WeakPolarHBondContact CA-O 3.43Å; D1281-S1290 VanDerWaalsContact OD2-C 3.3Å; D1281-S1290 WeakPolarHBondContact OD2-CA 3.41Å; D1281-S1290 WeakPolarHBondContact OD2-CB 3.47Å; L1288-S1290 PolarHBondContact O-N 3.19Å; S1290-G2580 VanDerWaalsContact OG-C 3.27Å; S1290-G2580 WeakPolarHBondContact OG-CA 3.43Å; S1290-G2580 PolarHBondContact OG-N 2.98Å; S1290-S2581 PolarHBondContact OG-N 3.05Å; S1290-S2612 PolarHBondContact O-N 2.92Å; S1290-G2613 CarbonylContact C-O 3.5Å; S1290-G2613 PolarHBondContact O-N 3Å; S1290-G2613 VanDerWaalsContact O-N 3.13Å
1291	G	59.2	Low	57.8	Low	0 Å²	0	42.6 Å²	42.6	0%	0	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	165.8	-13.5	-163.2	0	0	0	0	0	116.3	H1259 A1262 C1273 S1283 T1289 G2613	H1259-G1291 PolarHBondContact N-O 3.03Å; A1262-G1291 VanDerWaalsContact CB-O 3.24Å; A1262-G1291 WeakPolarHBondContact CB-O 3.04Å; C1273-G1291 VanDerWaalsContact CB-C 3.48Å; C1273-G1291 WeakPolarHBondContact CB-O 3.48Å; S1283-G1291 PolarHBondContact OG-N 3.31Å; T1289-G1291 PolarHBondContact O-N 3.29Å; G1291-G2613 WeakPolarHBondContact CA-O 3.09Å; G1291-G2613 PolarHBondContact N-O 3.33Å
1292	R	70.4	Confident	58	Low	34 Å²	34	46 Å²	46	13%	0.128	29%	0.289	C	S	.	.	S	Bend	trans	-96.2	-3.7	-174.3	-65.4	-179.1	-171.7	-141.1	-5.2	114.1	D1257 C1273 T1289 E2582	D1257-R1292 VanDerWaalsContact OD1-CD 3.24Å; D1257-R1292 WeakPolarHBondContact OD1-CD 2.95Å; D1257-R1292 IonicContact OD1-CZ 2.76Å; D1257-R1292 IonicContact OD1-NE 2.73Å; D1257-R1292 PolarHBondContact OD1-NE 2.93Å; D1257-R1292 VanDerWaalsContact OD1-NE 3.09Å; D1257-R1292 IonicContact OD1-NH1 3.96Å; D1257-R1292 PolarHBondContact OD1-NH1 2.72Å; D1257-R1292 IonicContact OD1-NH2 3.84Å; D1257-R1292 IonicContact OD2-CZ 3.95Å; D1257-R1292 IonicContact OD2-NE 2.62Å; D1257-R1292 IonicContact OD2-NH1 3.35Å; D1257-R1292 PolarHBondContact OD2-NH1 2.89Å; C1273-R1292 HydrophobicContact CB-CG 4.09Å; T1289-R1292 PolarHBondContact O-N 2.82Å; T1289-R1292 PolarHBondContact OG1-NE 3.16Å; R1292-E2582 IonicContact CZ-OE1 2.87Å; R1292-E2582 IonicContact NE-OE1 2.69Å; R1292-E2582 PolarHBondContact NE-OE1 2.79Å; R1292-E2582 IonicContact NH2-OE1 3.72Å; R1292-E2582 PolarHBondContact NH2-OE1 3.24Å
1293	A	63.4	Low	57.9	Low	31 Å²	31	47 Å²	47	26%	0.256	29%	0.294	S	S	.	.			trans	-141.9	116.8	171.9	0	0	0	0	0	111.7	I1282	I1282-A1293 HydrophobicContact CD1-CB 3.76Å; I1282-A1293 HydrophobicContact CG1-CB 4.01Å
1294	C	58.9	Low	58	Low	1 Å²	1	52 Å²	52	1%	0.007	33%	0.326	C	S	.	.	B	Isolated β-bridge	trans	-161.3	80.3	179.8	53	0	0	0	0	117	H1259 A1262 C1275 S2615	H1259-C1294 VanDerWaalsContact CB-SG 3.57Å; H1259-C1294 PolarHBondContact CE1-O 3.06Å; H1259-C1294 PolarHBondContact ND1-N 2.97Å; H1259-C1294 PolarHBondContact ND1-O 3.41Å; A1262-C1294 PolarHBondContact N-SG 2.04Å; C1275-C1294 HydrophobicContact CB-CB 3.61Å; C1275-C1294 WeakPolarHBondContact CB-SG 2.8Å; C1275-C1294 WeakPolarHBondContact SG-CB 3.15Å; C1275-C1294 CovalentContact SG-SG 2.04Å; C1275-C1294 PolarHBondContact SG-SG 3.09Å; C1294-S2615 CarbonylContact C-O 3.33Å; C1294-S2615 WeakPolarHBondContact CA-O 3.18Å; C1294-S2615 VanDerWaalsContact CA-OG 3.26Å; C1294-S2615 WeakPolarHBondContact CA-OG 3.43Å; C1294-S2615 WeakPolarHBondContact CB-OG 3.33Å; C1294-S2615 PolarHBondContact O-OG 3.13Å; C1294-S2615 VanDerWaalsContact O-OG 3.06Å
1295	H	61.5	Low	58.7	Low	58 Å²	58	55.3 Å²	55.3	27%	0.269	34%	0.342	S	S	.	.			trans	-78.6	177.8	178.5	74.4	124.7	0	0	0	115.1	H1259 F1320 S2615 Y2617 S2618 D2619	H1259-H1295 PolarHBondContact CE1-N 3.39Å; H1295-F1320 PolarHBondContact NE2-O 2.87Å; H1295-S2615 PolarHBondContact CD2-O 3.4Å; H1295-S2615 PolarHBondContact N-O 2.88Å; H1295-S2615 PolarHBondContact N-OG 3.02Å; H1295-S2615 WeakPolarHBondContact O-CB 3.11Å; H1295-S2615 PolarHBondContact O-OG 2.76Å; H1295-Y2617 CarbonylContact C-O 3.53Å; H1295-Y2617 VanDerWaalsContact C-O 3.32Å; H1295-S2618 PolarHBondContact NE2-N 2.67Å; H1295-D2619 PolarHBondContact NE2-O 3.08Å
1296	K	54.4	Low	59.1	Low	102 Å²	102	53.2 Å²	53.2	44%	0.443	33%	0.33	S	S	.	.			trans	-103.1	133.1	-162.3	170	-125.6	77.1	-78.1	0	113.1	T1298 Y2617	K1296-T1298 WeakPolarHBondContact CE-OG1 3.47Å; K1296-T1298 PolarHBondContact NZ-OG1 3.12Å; K1296-T1298 PolarHBondContact O-OG1 2.89Å; K1296-Y2617 CarbonylContact C-O 3.53Å; K1296-Y2617 PolarHBondContact N-O 2.79Å; K1296-Y2617 VanDerWaalsContact O-O 3.11Å
1297	P	51.5	Low	59.2	Low	54 Å²	54	50.5 Å²	50.5	35%	0.351	31%	0.305	S	S	.	.			trans	-57.7	130.5	-179.1	10.3	-23.6	0	0	0	116.6	F1279 Y2617 S2618	F1279-P1297 HydrophobicContact CE2-CG 4.15Å; P1297-Y2617 HydrophobicContact CB-CD1 4.29Å; P1297-Y2617 VanDerWaalsContact N-O 3.11Å; P1297-S2618 CarbonylContact C-O 3.6Å; P1297-S2618 WeakPolarHBondContact CA-O 3.27Å
1298	T	54.2	Low	60.3	Low	38 Å²	38	51.1 Å²	51.1	23%	0.233	30%	0.297	C	S	.	.			trans	-164.5	152.6	178.4	5	0	0	0	0	115.4	K1296 E1300 L1306 S2618 D2619 S2620	K1296-T1298 WeakPolarHBondContact CE-OG1 3.47Å; K1296-T1298 PolarHBondContact NZ-OG1 3.12Å; K1296-T1298 PolarHBondContact O-OG1 2.89Å; T1298-E1300 WeakPolarHBondContact CB-OE1 3.43Å; T1298-E1300 PolarHBondContact OG1-OE1 3.03Å; T1298-L1306 HydrophobicContact CG2-CD1 4.35Å; T1298-S2618 PolarHBondContact N-O 2.54Å; T1298-S2618 CarbonylContact O-C 3.47Å; T1298-D2619 PolarHBondContact O-N 2.63Å; T1298-S2620 PolarHBondContact O-OG 3.06Å
1299	D	60.6	Low	61.2	Low	76 Å²	76	48.2 Å²	48.2	41%	0.406	28%	0.284	S	S	.	.			trans	-96.3	93.1	153.8	170.8	-7.5	0	0	0	106.5	C1301 A1302 S2620	D1299-C1301 PolarHBondContact O-N 3.24Å; D1299-C1301 PolarHBondContact OD1-N 3.14Å; D1299-A1302 HydrophobicContact CB-CB 4.32Å; D1299-A1302 WeakPolarHBondContact O-CB 3.48Å; D1299-A1302 PolarHBondContact O-N 3.38Å; D1299-A1302 PolarHBondContact OD1-N 2.81Å; D1299-S2620 VanDerWaalsContact CA-OG 3.23Å; D1299-S2620 WeakPolarHBondContact CA-OG 3.45Å
1300	E	67.6	Low	62.1	Low	12 Å²	12	50.1 Å²	50.1	6%	0.056	29%	0.294	C	S	.	.	G	3₁₀ helix	trans	-67.4	-22.1	-177.2	-74	91.4	-153.7	0	0	112.9	T1298 A1302 D1303 L1306 N1307 Y1322 S2620	T1298-E1300 WeakPolarHBondContact CB-OE1 3.43Å; T1298-E1300 PolarHBondContact OG1-OE1 3.03Å; E1300-A1302 VanDerWaalsContact C-N 3.31Å; E1300-D1303 CarbonylContact O-C 3.57Å; E1300-D1303 PolarHBondContact O-N 3.11Å; E1300-L1306 HydrophobicContact CB-CB 4.3Å; E1300-L1306 HydrophobicContact CG-CB 4.15Å; E1300-N1307 PolarHBondContact O-ND2 2.88Å; E1300-Y1322 HydrophobicContact CB-CD1 4.02Å; E1300-Y1322 HydrophobicContact CG-CD1 4.02Å; E1300-S2620 PolarHBondContact N-OG 3.1Å; E1300-S2620 PolarHBondContact OE2-N 3.32Å; E1300-S2620 PolarHBondContact OE2-OG 2.82Å
1301	C	73.2	Confident	62.9	Low	32 Å²	32	57.3 Å²	57.3	22%	0.216	32%	0.321	C	S	.	.	G	3₁₀ helix	trans	-84.8	-8.3	178.4	-63.5	0	0	0	0	113.6	D1299 C1315 L1316 S2621	D1299-C1301 PolarHBondContact O-N 3.24Å; D1299-C1301 PolarHBondContact OD1-N 3.14Å; C1301-C1315 VanDerWaalsContact CA-SG 3.56Å; C1301-C1315 HydrophobicContact CB-CB 3.65Å; C1301-C1315 WeakPolarHBondContact CB-SG 3.03Å; C1301-C1315 WeakPolarHBondContact SG-CA 3.31Å; C1301-C1315 WeakPolarHBondContact SG-CB 3.32Å; C1301-C1315 CovalentContact SG-SG 2.01Å; C1301-C1315 PolarHBondContact SG-SG 2.62Å; C1301-L1316 WeakPolarHBondContact CB-O 3.3Å; C1301-L1316 PolarHBondContact SG-N 3.01Å; C1301-L1316 PolarHBondContact SG-O 2.81Å; C1301-S2621 PolarHBondContact SG-OG 2.02Å
1302	A	68	Low	63.4	Low	76 Å²	76	60.6 Å²	60.6	63%	0.628	34%	0.338	S	S	*	.	G	3₁₀ helix	trans	-68.4	-18.1	161.2	0	0	0	0	0	113.6	D1299 E1300	D1299-A1302 HydrophobicContact CB-CB 4.32Å; D1299-A1302 WeakPolarHBondContact O-CB 3.48Å; D1299-A1302 PolarHBondContact O-N 3.38Å; D1299-A1302 PolarHBondContact OD1-N 2.81Å; E1300-A1302 VanDerWaalsContact C-N 3.31Å
1303	D	61	Low	63.5	Low	69 Å²	69	60.1 Å²	60.1	37%	0.369	34%	0.341	S	S	.	.			trans	-136.6	110.8	179.4	-161.7	-48.2	0	0	0	113.4	E1300 T1305 L1306 N1307	E1300-D1303 CarbonylContact O-C 3.57Å; E1300-D1303 PolarHBondContact O-N 3.11Å; D1303-T1305 PolarHBondContact O-N 3.25Å; D1303-T1305 WeakPolarHBondContact OD1-CB 3.48Å; D1303-T1305 PolarHBondContact OD1-N 2.98Å; D1303-T1305 PolarHBondContact OD1-OG1 2.73Å; D1303-L1306 HydrophobicContact CB-CD1 4.25Å; D1303-L1306 HydrophobicContact CB-CG 4.35Å; D1303-L1306 PolarHBondContact O-N 3.47Å; D1303-N1307 PolarHBondContact O-ND2 3.29Å; D1303-N1307 VanDerWaalsContact O-ND2 3.07Å
1304	P	58.9	Low	64.3	Low	108 Å²	108	62.5 Å²	62.5	70%	0.701	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.9	8.8	-178.5	33.4	-37.8	0	0	0	114.9
1305	T	61.2	Low	65.2	Low	121 Å²	121	63.9 Å²	63.9	74%	0.742	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.3	-11	166.1	64.6	0	0	0	0	113.3	D1303	D1303-T1305 PolarHBondContact O-N 3.25Å; D1303-T1305 WeakPolarHBondContact OD1-CB 3.48Å; D1303-T1305 PolarHBondContact OD1-N 2.98Å; D1303-T1305 PolarHBondContact OD1-OG1 2.73Å
1306	L	56.5	Low	65.7	Low	88 Å²	88	62.3 Å²	62.3	46%	0.461	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.8	-8.7	177.1	-64	178.5	0	0	0	113.4	T1298 E1300 D1303 Y1322	T1298-L1306 HydrophobicContact CG2-CD1 4.35Å; E1300-L1306 HydrophobicContact CB-CB 4.3Å; E1300-L1306 HydrophobicContact CG-CB 4.15Å; D1303-L1306 HydrophobicContact CB-CD1 4.25Å; D1303-L1306 HydrophobicContact CB-CG 4.35Å; D1303-L1306 PolarHBondContact O-N 3.47Å; L1306-Y1322 WeakPolarHBondContact O-CE1 3.26Å
1307	N	56.2	Low	66.1	Low	21 Å²	21	60.4 Å²	60.4	11%	0.112	35%	0.347	C	S	.	.			trans	-114.8	135.9	168.1	64.6	86.7	0	0	0	111.7	E1300 D1303 C1309 C1315 Y1322	E1300-N1307 PolarHBondContact O-ND2 2.88Å; D1303-N1307 PolarHBondContact O-ND2 3.29Å; D1303-N1307 VanDerWaalsContact O-ND2 3.07Å; N1307-C1309 VanDerWaalsContact C-N 3.26Å; N1307-C1309 PolarHBondContact O-N 2.98Å; N1307-C1315 PolarHBondContact ND2-SG 2.57Å; N1307-C1315 VanDerWaalsContact ND2-SG 3.44Å; N1307-C1315 PolarHBondContact OD1-SG 2.76Å; N1307-Y1322 HydrophobicContact CB-CD1 4.19Å; N1307-Y1322 HydrophobicContact CB-CD2 3.73Å; N1307-Y1322 HydrophobicContact CB-CE1 4.41Å; N1307-Y1322 HydrophobicContact CB-CE2 4Å; N1307-Y1322 HydrophobicContact CB-CG 3.87Å
1308	T	70.1	Confident	66.5	Low	71 Å²	71	60.1 Å²	60.1	44%	0.436	34%	0.342	S	S	.	.			trans	-93.2	32.4	174.8	55.2	0	0	0	0	112.4	Y1322 R1342	T1308-Y1322 WeakPolarHBondContact CG2-OH 3.41Å; T1308-Y1322 VanDerWaalsContact N-CZ 3.32Å; T1308-Y1322 PolarHBondContact N-OH 3.27Å; T1308-Y1322 VanDerWaalsContact OG1-CE2 3.29Å; T1308-Y1322 WeakPolarHBondContact OG1-CE2 3.42Å; T1308-Y1322 PolarHBondContact OG1-OH 2.75Å; T1308-R1342 WeakPolarHBondContact O-CG 3.1Å; T1308-R1342 PolarHBondContact OG1-NE 2.77Å; T1308-R1342 PolarHBondContact OG1-NH1 2.85Å
1309	C	72.8	Confident	66.5	Low	20 Å²	20	62.6 Å²	62.6	14%	0.135	35%	0.354	C	S	.	.			trans	-69.2	149	171.5	-60.5	0	0	0	0	110.9	N1307 A1313 C1315 C1324	N1307-C1309 VanDerWaalsContact C-N 3.26Å; N1307-C1309 PolarHBondContact O-N 2.98Å; C1309-A1313 HydrophobicContact CB-CB 4.15Å; C1309-C1315 VanDerWaalsContact SG-SG 3.61Å; C1309-C1324 WeakPolarHBondContact CA-SG 3.36Å; C1309-C1324 HydrophobicContact CB-CB 3.68Å; C1309-C1324 WeakPolarHBondContact CB-SG 3.25Å; C1309-C1324 WeakPolarHBondContact SG-CB 3.18Å; C1309-C1324 CovalentContact SG-SG 2.03Å; C1309-C1324 PolarHBondContact SG-SG 2.93Å
1310	D	71.9	Confident	66.1	Low	41 Å²	41	64.1 Å²	64.1	22%	0.219	36%	0.357	C	S	.	.			trans	-61.2	146.7	166.8	-171.1	-71.8	0	0	0	109.4	N1312 A1313 G1341 A1343 C1344	D1310-N1312 PolarHBondContact O-N 3.09Å; D1310-N1312 VanDerWaalsContact O-N 3.1Å; D1310-N1312 WeakPolarHBondContact OD1-CB 3.06Å; D1310-N1312 PolarHBondContact OD1-N 3.34Å; D1310-N1312 PolarHBondContact OD1-ND2 3.08Å; D1310-A1313 HydrophobicContact CB-CB 4.2Å; D1310-A1313 WeakPolarHBondContact O-CA 3.18Å; D1310-A1313 WeakPolarHBondContact O-CB 3.42Å; D1310-A1313 PolarHBondContact O-N 2.94Å; D1310-G1341 PolarHBondContact N-O 3.14Å; D1310-A1343 WeakPolarHBondContact OD2-CA 3.38Å; D1310-C1344 HydrophobicContact CB-CB 3.72Å; D1310-C1344 VanDerWaalsContact CB-N 3.28Å; D1310-C1344 PolarHBondContact OD2-N 2.89Å
1311	R	68.7	Low	65.8	Low	151 Å²	151	65.2 Å²	65.2	57%	0.57	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.5	-14.8	180	-61.6	-172.4	-176	125.9	-0.7	114.1	D1708 S1709 S1710	R1311-D1708 IonicContact CZ-OD1 3.72Å; R1311-D1708 IonicContact NH1-OD1 2.96Å; R1311-D1708 IonicContact NH2-OD1 2.86Å; R1311-D1708 PolarHBondContact NH2-OD1 3.34Å; R1311-D1708 IonicContact NH2-OD2 2.78Å; R1311-S1709 PolarHBondContact NH1-O 2.91Å; R1311-S1709 PolarHBondContact NH1-OG 3.35Å; R1311-S1710 VanDerWaalsContact CZ-CB 3.48Å
1312	N	70.2	Confident	65.5	Low	69 Å²	69	65.2 Å²	65.2	37%	0.369	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.3	-8.5	171.9	-53	-82.3	0	0	0	112.5	D1310 P1327 Y1330 C1344	D1310-N1312 PolarHBondContact O-N 3.09Å; D1310-N1312 VanDerWaalsContact O-N 3.1Å; D1310-N1312 WeakPolarHBondContact OD1-CB 3.06Å; D1310-N1312 PolarHBondContact OD1-N 3.34Å; D1310-N1312 PolarHBondContact OD1-ND2 3.08Å; N1312-P1327 WeakPolarHBondContact O-CD 2.96Å; N1312-P1327 WeakPolarHBondContact O-CG 3.28Å; N1312-Y1330 HydrophobicContact CB-CD1 3.49Å; N1312-Y1330 VanDerWaalsContact CB-CD1 3.49Å; N1312-Y1330 HydrophobicContact CB-CE1 3.68Å; N1312-Y1330 HydrophobicContact CB-CG 4.1Å; N1312-Y1330 VanDerWaalsContact OD1-CE1 3.27Å; N1312-Y1330 WeakPolarHBondContact OD1-CE1 3.32Å; N1312-C1344 HydrophobicContact CB-CB 4.02Å
1313	A	73.5	Confident	65.6	Low	23 Å²	23	65 Å²	65	19%	0.19	35%	0.35	C	S	.	.	S	Bend	trans	-78.6	163.6	176.8	0	0	0	0	0	112.9	C1309 D1310 C1324 G1341 C1344	C1309-A1313 HydrophobicContact CB-CB 4.15Å; D1310-A1313 HydrophobicContact CB-CB 4.2Å; D1310-A1313 WeakPolarHBondContact O-CA 3.18Å; D1310-A1313 WeakPolarHBondContact O-CB 3.42Å; D1310-A1313 PolarHBondContact O-N 2.94Å; A1313-C1324 HydrophobicContact CB-CB 4.2Å; A1313-G1341 VanDerWaalsContact CB-O 3.26Å; A1313-G1341 WeakPolarHBondContact CB-O 3.37Å; A1313-C1344 WeakPolarHBondContact CB-SG 3.16Å
1314	L	79.7	Confident	66.3	Low	82 Å²	82	61.8 Å²	61.8	43%	0.429	33%	0.333	S	S	.	.	B	Isolated β-bridge	trans	-98.5	138.6	168	-170	64.7	0	0	0	110.4	L1316 C1324 Q1325	L1314-L1316 HydrophobicContact CD1-CD2 4.47Å; L1314-L1316 HydrophobicContact CD2-CD1 4.29Å; L1314-L1316 HydrophobicContact CD2-CD2 4.06Å; L1314-L1316 HydrophobicContact CD2-CG 4.47Å; L1314-L1316 HydrophobicContact CG-CD1 4.39Å; L1314-L1316 HydrophobicContact CG-CD2 3.94Å; L1314-L1316 HydrophobicContact CG-CG 4.16Å; L1314-C1324 WeakPolarHBondContact O-CA 3.13Å; L1314-Q1325 WeakPolarHBondContact CB-O 2.94Å; L1314-Q1325 PolarHBondContact N-O 3.1Å; L1314-Q1325 PolarHBondContact O-N 3.04Å
1315	C	76.5	Confident	66.9	Low	30 Å²	30	60.2 Å²	60.2	20%	0.203	32%	0.316	C	S	.	.			trans	-126.9	145.8	-177.1	-160.5	0	0	0	0	108.2	C1301 N1307 C1309	C1301-C1315 VanDerWaalsContact CA-SG 3.56Å; C1301-C1315 HydrophobicContact CB-CB 3.65Å; C1301-C1315 WeakPolarHBondContact CB-SG 3.03Å; C1301-C1315 WeakPolarHBondContact SG-CA 3.31Å; C1301-C1315 WeakPolarHBondContact SG-CB 3.32Å; C1301-C1315 CovalentContact SG-SG 2.01Å; C1301-C1315 PolarHBondContact SG-SG 2.62Å; N1307-C1315 PolarHBondContact ND2-SG 2.57Å; N1307-C1315 VanDerWaalsContact ND2-SG 3.44Å; N1307-C1315 PolarHBondContact OD1-SG 2.76Å; C1309-C1315 VanDerWaalsContact SG-SG 3.61Å
1316	L	73.1	Confident	67.6	Low	25 Å²	25	55.5 Å²	55.5	13%	0.131	29%	0.288	C	S	.	.			trans	-150.9	-167.1	-153.3	-70	-178.7	0	0	0	112.8	C1301 L1314 S2621 Y2622 E2623	C1301-L1316 WeakPolarHBondContact CB-O 3.3Å; C1301-L1316 PolarHBondContact SG-N 3.01Å; C1301-L1316 PolarHBondContact SG-O 2.81Å; L1314-L1316 HydrophobicContact CD1-CD2 4.47Å; L1314-L1316 HydrophobicContact CD2-CD1 4.29Å; L1314-L1316 HydrophobicContact CD2-CD2 4.06Å; L1314-L1316 HydrophobicContact CD2-CG 4.47Å; L1314-L1316 HydrophobicContact CG-CD1 4.39Å; L1314-L1316 HydrophobicContact CG-CD2 3.94Å; L1314-L1316 HydrophobicContact CG-CG 4.16Å; L1316-S2621 VanDerWaalsContact C-CA 3.44Å; L1316-S2621 VanDerWaalsContact O-CA 3.28Å; L1316-S2621 WeakPolarHBondContact O-CA 3.4Å; L1316-S2621 WeakPolarHBondContact O-CB 3.1Å; L1316-S2621 PolarHBondContact O-OG 3.42Å; L1316-Y2622 HydrophobicContact CB-CD1 3.34Å; L1316-Y2622 HydrophobicContact CB-CE1 4.08Å; L1316-Y2622 HydrophobicContact CB-CG 3.66Å; L1316-Y2622 WeakPolarHBondContact CB-O 3.35Å; L1316-Y2622 HydrophobicContact CD1-CD1 4.1Å; L1316-Y2622 VanDerWaalsContact CD1-O 3.22Å; L1316-Y2622 WeakPolarHBondContact CD1-O 3.11Å; L1316-Y2622 HydrophobicContact CD2-CD1 3.66Å; L1316-Y2622 HydrophobicContact CD2-CE1 4Å; L1316-Y2622 HydrophobicContact CG-CD1 3.83Å; L1316-Y2622 HydrophobicContact CG-CG 4.5Å; L1316-E2623 HydrophobicContact CD1-CB 4.45Å; L1316-E2623 HydrophobicContact CD1-CG 4.21Å
1317	D	62.2	Low	68.1	Low	62 Å²	62	53.7 Å²	53.7	33%	0.332	28%	0.282	S	S	.	.			trans	-138.3	65.8	-168.9	137.6	86.1	0	0	0	119	Y2622	D1317-Y2622 VanDerWaalsContact CA-CD2 3.45Å; D1317-Y2622 HydrophobicContact CB-CD2 4.13Å; D1317-Y2622 HydrophobicContact CB-CE1 4.35Å; D1317-Y2622 HydrophobicContact CB-CE2 3.46Å; D1317-Y2622 VanDerWaalsContact CB-CE2 3.46Å; D1317-Y2622 VanDerWaalsContact N-CE2 3.34Å; D1317-Y2622 WeakPolarHBondContact O-CD2 3.35Å; D1317-Y2622 WeakPolarHBondContact O-CE2 3.3Å; D1317-Y2622 WeakPolarHBondContact OD2-CE2 3.46Å; D1317-Y2622 PolarHBondContact OD2-OH 2.84Å
1318	D	59.8	Low	68.4	Low	47 Å²	47	62.8 Å²	62.8	25%	0.251	32%	0.323	S	S	.	.			trans	-118.8	151.2	179.9	-100.2	-44.8	0	0	0	116	F1320 D2619 S2620 S2621 Y2622 E2624	D1318-F1320 PolarHBondContact O-N 2.81Å; D1318-D2619 CarbonylContact O-C 3.59Å; D1318-S2620 CarbonylContact O-C 3.59Å; D1318-S2620 WeakPolarHBondContact O-CA 3.41Å; D1318-S2620 PolarHBondContact O-N 3.22Å; D1318-S2621 VanDerWaalsContact N-CA 3.34Å; D1318-S2621 PolarHBondContact O-N 3.41Å; D1318-Y2622 HydrophobicContact CB-CD2 4.31Å; D1318-Y2622 VanDerWaalsContact OD2-CA 3.27Å; D1318-Y2622 WeakPolarHBondContact OD2-CA 3.01Å; D1318-Y2622 WeakPolarHBondContact OD2-CB 3.34Å; D1318-E2624 PolarHBondContact OD2-N 3.23Å
1319	L	54.9	Low	67.9	Low	90 Å²	90	60.9 Å²	60.9	47%	0.471	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.6	-5.6	-152.9	-78.5	154.2	0	0	0	123.8	S2618 D2619	L1319-S2618 WeakPolarHBondContact O-CA 3.43Å; L1319-S2618 WeakPolarHBondContact O-CB 3.36Å; L1319-D2619 VanDerWaalsContact CA-OD1 3.26Å; L1319-D2619 WeakPolarHBondContact CA-OD1 3.39Å; L1319-D2619 WeakPolarHBondContact CG-OD1 3.42Å; L1319-D2619 PolarHBondContact N-OD1 2.75Å
1320	F	51.2	Low	67.4	Low	108 Å²	108	63 Å²	63	47%	0.474	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-143	3.1	179	-54.9	-54.3	0	0	0	117.9	H1295 D1318 E2616 D2619	H1295-F1320 PolarHBondContact NE2-O 2.87Å; D1318-F1320 PolarHBondContact O-N 2.81Å; F1320-E2616 HydrophobicContact CD1-CB 3.94Å; F1320-E2616 HydrophobicContact CD1-CG 3.84Å; F1320-E2616 HydrophobicContact CE1-CB 3.5Å; F1320-E2616 VanDerWaalsContact CE1-CB 3.5Å; F1320-E2616 HydrophobicContact CE1-CG 3.28Å; F1320-E2616 HydrophobicContact CZ-CB 4.49Å; F1320-E2616 VanDerWaalsContact CZ-CD 3.43Å; F1320-E2616 HydrophobicContact CZ-CG 3.89Å; F1320-D2619 CarbonylContact C-O 3.43Å; F1320-D2619 VanDerWaalsContact C-O 3.22Å
1321	G	61.5	Low	67	Low	35 Å²	35	62.9 Å²	62.9	36%	0.361	32%	0.323	S	S	.	.	S	Bend	trans	149.7	160.4	171.3	0	0	0	0	0	114.1	R1323 D2619 S2620 S2621	G1321-R1323 PolarHBondContact O-N 3.09Å; G1321-D2619 VanDerWaalsContact CA-O 3.28Å; G1321-D2619 WeakPolarHBondContact CA-O 3.46Å; G1321-D2619 PolarHBondContact N-O 2.78Å; G1321-S2620 VanDerWaalsContact C-C 3.44Å; G1321-S2620 CarbonylContact C-O 3.44Å; G1321-S2620 CarbonylContact O-C 3.37Å; G1321-S2621 PolarHBondContact O-N 3.5Å
1322	Y	66.8	Low	66.9	Low	32 Å²	32	58.2 Å²	58.2	13%	0.125	31%	0.309	C	S	.	.			trans	-78.3	125.5	-166.2	67.9	-88.3	0	0	0	116	E1300 L1306 N1307 T1308 S2620 S2621	E1300-Y1322 HydrophobicContact CB-CD1 4.02Å; E1300-Y1322 HydrophobicContact CG-CD1 4.02Å; L1306-Y1322 WeakPolarHBondContact O-CE1 3.26Å; N1307-Y1322 HydrophobicContact CB-CD1 4.19Å; N1307-Y1322 HydrophobicContact CB-CD2 3.73Å; N1307-Y1322 HydrophobicContact CB-CE1 4.41Å; N1307-Y1322 HydrophobicContact CB-CE2 4Å; N1307-Y1322 HydrophobicContact CB-CG 3.87Å; T1308-Y1322 WeakPolarHBondContact CG2-OH 3.41Å; T1308-Y1322 VanDerWaalsContact N-CZ 3.32Å; T1308-Y1322 PolarHBondContact N-OH 3.27Å; T1308-Y1322 VanDerWaalsContact OG1-CE2 3.29Å; T1308-Y1322 WeakPolarHBondContact OG1-CE2 3.42Å; T1308-Y1322 PolarHBondContact OG1-OH 2.75Å; Y1322-S2620 WeakPolarHBondContact CA-O 3.38Å; Y1322-S2620 WeakPolarHBondContact CB-O 3.3Å; Y1322-S2620 PolarHBondContact N-O 2.84Å; Y1322-S2620 VanDerWaalsContact N-O 3.11Å; Y1322-S2621 WeakPolarHBondContact CA-OG 3.06Å; Y1322-S2621 WeakPolarHBondContact CB-OG 3.45Å
1323	R	70.2	Confident	66.9	Low	72 Å²	72	58.3 Å²	58.3	27%	0.272	31%	0.312	S	S	.	.			trans	-102.3	156.1	158.1	81.9	94.3	127.3	-50.5	6.1	110.5	G1321 S2621 Y2622 E2623	G1321-R1323 PolarHBondContact O-N 3.09Å; R1323-S2621 WeakPolarHBondContact CG-O 2.88Å; R1323-S2621 WeakPolarHBondContact O-CB 3.29Å; R1323-Y2622 VanDerWaalsContact CD-O 3.3Å; R1323-Y2622 WeakPolarHBondContact CD-O 3.4Å; R1323-Y2622 VanDerWaalsContact CG-O 3.3Å; R1323-Y2622 WeakPolarHBondContact CG-O 3.06Å; R1323-Y2622 PolarHBondContact NE-O 2.97Å; R1323-E2623 VanDerWaalsContact CZ-N 3.25Å; R1323-E2623 VanDerWaalsContact NE-N 3.13Å; R1323-E2623 PolarHBondContact NH1-O 2.78Å; R1323-E2623 VanDerWaalsContact NH1-O 3.15Å; R1323-E2623 PolarHBondContact NH2-O 2.54Å
1324	C	76.2	Confident	66.4	Low	1 Å²	1	58.1 Å²	58.1	1%	0.007	31%	0.31	C	S	.	.			trans	-122.3	162.3	178	-43.7	0	0	0	0	109.6	C1309 A1313 L1314 P1340 G1341	C1309-C1324 WeakPolarHBondContact CA-SG 3.36Å; C1309-C1324 HydrophobicContact CB-CB 3.68Å; C1309-C1324 WeakPolarHBondContact CB-SG 3.25Å; C1309-C1324 WeakPolarHBondContact SG-CB 3.18Å; C1309-C1324 CovalentContact SG-SG 2.03Å; C1309-C1324 PolarHBondContact SG-SG 2.93Å; A1313-C1324 HydrophobicContact CB-CB 4.2Å; L1314-C1324 WeakPolarHBondContact O-CA 3.13Å; C1324-P1340 CarbonylContact C-O 3.6Å; C1324-P1340 VanDerWaalsContact CB-O 3.3Å; C1324-P1340 WeakPolarHBondContact CB-O 3.43Å; C1324-P1340 PolarHBondContact N-O 2.78Å; C1324-P1340 CarbonylContact O-C 2.86Å; C1324-P1340 VanDerWaalsContact O-O 3.08Å; C1324-G1341 VanDerWaalsContact CB-C 3.5Å; C1324-G1341 VanDerWaalsContact CB-O 3.31Å; C1324-G1341 WeakPolarHBondContact CB-O 3.37Å
1325	Q	72.6	Confident	65.1	Low	76 Å²	76	60.3 Å²	60.3	36%	0.355	33%	0.329	S	S	.	.	B	Isolated β-bridge	trans	-145.6	123.8	178.6	-174.1	-175.8	104.7	0	0	111	L1314 E2623	L1314-Q1325 WeakPolarHBondContact CB-O 2.94Å; L1314-Q1325 PolarHBondContact N-O 3.1Å; L1314-Q1325 PolarHBondContact O-N 3.04Å; Q1325-E2623 PolarHBondContact NE2-OE2 3.06Å
1326	C	75.8	Confident	63.8	Low	22 Å²	22	62.8 Å²	62.8	15%	0.149	34%	0.343	C	S	.	.			trans	-69.4	129.3	175.7	-53.1	0	0	0	0	110.9	Y1330 D1332 C1344	C1326-Y1330 WeakPolarHBondContact CB-O 3.4Å; C1326-D1332 WeakPolarHBondContact SG-CA 3.41Å; C1326-D1332 VanDerWaalsContact SG-CB 3.58Å; C1326-D1332 PolarHBondContact SG-N 3.45Å; C1326-D1332 VanDerWaalsContact SG-N 3.45Å; C1326-C1344 WeakPolarHBondContact CA-SG 3.05Å; C1326-C1344 HydrophobicContact CB-CB 3.93Å; C1326-C1344 WeakPolarHBondContact CB-SG 3.44Å; C1326-C1344 VanDerWaalsContact SG-CA 3.54Å; C1326-C1344 WeakPolarHBondContact SG-CB 3.28Å; C1326-C1344 CovalentContact SG-SG 2.04Å; C1326-C1344 PolarHBondContact SG-SG 2.96Å
1327	P	66.3	Low	63	Low	50 Å²	50	68.2 Å²	68.2	33%	0.325	38%	0.379	S	S	.	.			trans	-77.1	157.1	-179.9	32.2	-35.7	0	0	0	111.9	N1312 G1329 Y1330	N1312-P1327 WeakPolarHBondContact O-CD 2.96Å; N1312-P1327 WeakPolarHBondContact O-CG 3.28Å; P1327-G1329 PolarHBondContact O-N 3.13Å; P1327-Y1330 HydrophobicContact CG-CD2 4.12Å; P1327-Y1330 PolarHBondContact O-N 3.46Å
1328	E	62.8	Low	62.6	Low	211 Å²	211	68.2 Å²	68.2	99%	0.986	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48	108.5	177.9	-70.9	-169.2	153.3	0	0	111.8
1329	G	59.2	Low	62.5	Low	32 Å²	32	67.9 Å²	67.9	33%	0.33	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	127.1	-9.4	-171.7	0	0	0	0	0	115.2	P1327 I1347	P1327-G1329 PolarHBondContact O-N 3.13Å; G1329-I1347 WeakPolarHBondContact O-CG1 2.91Å; G1329-I1347 PolarHBondContact O-N 2.81Å
1330	Y	61.7	Low	62.9	Low	64 Å²	64	65.8 Å²	65.8	25%	0.251	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	134.6	-178	-62.3	-104.7	0	0	0	110.5	N1312 C1326 P1327 K1345 K1346	N1312-Y1330 HydrophobicContact CB-CD1 3.49Å; N1312-Y1330 VanDerWaalsContact CB-CD1 3.49Å; N1312-Y1330 HydrophobicContact CB-CE1 3.68Å; N1312-Y1330 HydrophobicContact CB-CG 4.1Å; N1312-Y1330 VanDerWaalsContact OD1-CE1 3.27Å; N1312-Y1330 WeakPolarHBondContact OD1-CE1 3.32Å; C1326-Y1330 WeakPolarHBondContact CB-O 3.4Å; P1327-Y1330 HydrophobicContact CG-CD2 4.12Å; P1327-Y1330 PolarHBondContact O-N 3.46Å; Y1330-K1345 CarbonylContact C-O 3.57Å; Y1330-K1345 VanDerWaalsContact CA-O 3.23Å; Y1330-K1345 WeakPolarHBondContact CA-O 3.37Å; Y1330-K1346 HydrophobicContact CD1-CB 3.66Å; Y1330-K1346 HydrophobicContact CD1-CG 4.02Å; Y1330-K1346 HydrophobicContact CE1-CB 3.44Å; Y1330-K1346 VanDerWaalsContact CE1-CB 3.44Å; Y1330-K1346 HydrophobicContact CE1-CD 3.93Å; Y1330-K1346 HydrophobicContact CE1-CG 3.56Å
1331	L	64.8	Low	63.8	Low	39 Å²	39	60.7 Å²	60.7	20%	0.204	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	139.1	172.2	174.6	64.9	0	0	0	110.9	V1333 C1344 K1345 D1369	L1331-V1333 HydrophobicContact CD2-CG1 3.47Å; L1331-V1333 VanDerWaalsContact CD2-CG1 3.47Å; L1331-V1333 HydrophobicContact CG-CG1 3.84Å; L1331-C1344 CarbonylContact O-C 3.35Å; L1331-C1344 VanDerWaalsContact O-CA 3.26Å; L1331-C1344 WeakPolarHBondContact O-CA 3.45Å; L1331-K1345 PolarHBondContact N-O 2.91Å; L1331-K1345 PolarHBondContact O-N 2.77Å; L1331-D1369 WeakPolarHBondContact CB-O 3.2Å; L1331-D1369 HydrophobicContact CD1-CB 3.62Å; L1331-D1369 HydrophobicContact CD2-CB 3.85Å; L1331-D1369 WeakPolarHBondContact CD2-O 3.47Å; L1331-D1369 HydrophobicContact CG-CB 4.15Å
1332	D	65.7	Low	64.4	Low	53 Å²	53	62.8 Å²	62.8	28%	0.283	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	114.6	163.6	-159.8	-17.3	0	0	0	112.6	C1326 S1334 P1340 G1341 A1343	C1326-D1332 WeakPolarHBondContact SG-CA 3.41Å; C1326-D1332 VanDerWaalsContact SG-CB 3.58Å; C1326-D1332 PolarHBondContact SG-N 3.45Å; C1326-D1332 VanDerWaalsContact SG-N 3.45Å; D1332-S1334 VanDerWaalsContact OD1-CB 3.25Å; D1332-S1334 WeakPolarHBondContact OD1-CB 3.41Å; D1332-S1334 PolarHBondContact OD1-N 2.69Å; D1332-S1334 PolarHBondContact OD1-OG 3.1Å; D1332-P1340 WeakPolarHBondContact OD2-CA 3.34Å; D1332-P1340 WeakPolarHBondContact OD2-CB 3.29Å; D1332-G1341 PolarHBondContact OD1-N 2.72Å; D1332-G1341 PolarHBondContact OD2-N 2.78Å; D1332-A1343 WeakPolarHBondContact CA-O 3.07Å
1333	V	69.7	Low	64.4	Low	70 Å²	70	62.5 Å²	62.5	42%	0.424	35%	0.353	S	S	.	.			trans	-117.6	23.1	177.9	-61.2	0	0	0	0	111.8	L1331 A1343 K1345	L1331-V1333 HydrophobicContact CD2-CG1 3.47Å; L1331-V1333 VanDerWaalsContact CD2-CG1 3.47Å; L1331-V1333 HydrophobicContact CG-CG1 3.84Å; V1333-A1343 HydrophobicContact CG2-CB 3.74Å; V1333-A1343 PolarHBondContact N-O 3.17Å; V1333-K1345 HydrophobicContact CG1-CB 4.14Å; V1333-K1345 HydrophobicContact CG2-CB 4.04Å
1334	S	64	Low	64.2	Low	20 Å²	20	59.2 Å²	59.2	14%	0.14	34%	0.341	C	S	.	.			trans	-60.7	130.5	-179.7	-53.5	0	0	0	0	111	D1332 V1336 N1339 G1341 R1342 A1343	D1332-S1334 VanDerWaalsContact OD1-CB 3.25Å; D1332-S1334 WeakPolarHBondContact OD1-CB 3.41Å; D1332-S1334 PolarHBondContact OD1-N 2.69Å; D1332-S1334 PolarHBondContact OD1-OG 3.1Å; S1334-V1336 PolarHBondContact O-N 3.21Å; S1334-N1339 WeakPolarHBondContact CB-O 3.15Å; S1334-G1341 PolarHBondContact OG-N 2.77Å; S1334-R1342 PolarHBondContact OG-N 2.66Å; S1334-A1343 PolarHBondContact OG-N 3.44Å
1335	P	51.4	Low	63.8	Low	128 Å²	128	62.7 Å²	62.7	83%	0.831	36%	0.356	S	S	*	.	S	Bend	trans	-73.7	0.7	-168.6	28.8	-36.3	0	0	0	115.3
1336	V	50.4	Low	63.3	Low	82 Å²	82	64.5 Å²	64.5	50%	0.497	36%	0.363	S	S	.	.	S	Bend	trans	-134.1	119.2	177.1	-157.6	0	0	0	0	108.9	S1334 S1338 N1339	S1334-V1336 PolarHBondContact O-N 3.21Å; V1336-S1338 PolarHBondContact O-N 2.85Å; V1336-N1339 PolarHBondContact O-N 3.47Å
1337	P	55.3	Low	62.4	Low	138 Å²	138	66.1 Å²	66.1	90%	0.896	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-13.3	-173.7	-26.8	35.4	0	0	0	116.2
1338	S	54.1	Low	61.9	Low	62 Å²	62	66.6 Å²	66.6	43%	0.434	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-14.9	179.7	55.9	0	0	0	0	114.4	V1336	V1336-S1338 PolarHBondContact O-N 2.85Å
1339	N	58.2	Low	61.8	Low	41 Å²	41	59.6 Å²	59.6	22%	0.219	34%	0.34	C	S	.	.	S	Bend	trans	-127.7	75.7	-177.9	-84	-40.7	0	0	0	110.8	S1334 V1336 R1342	S1334-N1339 WeakPolarHBondContact CB-O 3.15Å; V1336-N1339 PolarHBondContact O-N 3.47Å; N1339-R1342 HydrophobicContact CB-CG 4.44Å
1340	P	64	Low	62.1	Low	46 Å²	46	58.6 Å²	58.6	30%	0.299	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.9	152.6	174.9	25.9	-34.5	0	0	0	112.5	C1324 D1332 R1342	C1324-P1340 CarbonylContact C-O 3.6Å; C1324-P1340 VanDerWaalsContact CB-O 3.3Å; C1324-P1340 WeakPolarHBondContact CB-O 3.43Å; C1324-P1340 PolarHBondContact N-O 2.78Å; C1324-P1340 CarbonylContact O-C 2.86Å; C1324-P1340 VanDerWaalsContact O-O 3.08Å; D1332-P1340 WeakPolarHBondContact OD2-CA 3.34Å; D1332-P1340 WeakPolarHBondContact OD2-CB 3.29Å; P1340-R1342 PolarHBondContact O-N 2.99Å
1341	G	70.1	Confident	62.6	Low	0 Å²	0	57.1 Å²	57.1	0%	0	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	74.2	14.2	171.4	0	0	0	0	0	116.5	D1310 A1313 C1324 D1332 S1334	D1310-G1341 PolarHBondContact N-O 3.14Å; A1313-G1341 VanDerWaalsContact CB-O 3.26Å; A1313-G1341 WeakPolarHBondContact CB-O 3.37Å; C1324-G1341 VanDerWaalsContact CB-C 3.5Å; C1324-G1341 VanDerWaalsContact CB-O 3.31Å; C1324-G1341 WeakPolarHBondContact CB-O 3.37Å; D1332-G1341 PolarHBondContact OD1-N 2.72Å; D1332-G1341 PolarHBondContact OD2-N 2.78Å; S1334-G1341 PolarHBondContact OG-N 2.77Å
1342	R	73.1	Confident	62.6	Low	80 Å²	80	59.8 Å²	59.8	30%	0.302	35%	0.348	S	S	.	.	S	Bend	trans	-84.1	-15.6	172.7	-61.7	-160.9	-178.9	-164.7	-0.9	113.3	T1308 S1334 N1339 P1340	T1308-R1342 WeakPolarHBondContact O-CG 3.1Å; T1308-R1342 PolarHBondContact OG1-NE 2.77Å; T1308-R1342 PolarHBondContact OG1-NH1 2.85Å; S1334-R1342 PolarHBondContact OG-N 2.66Å; N1339-R1342 HydrophobicContact CB-CG 4.44Å; P1340-R1342 PolarHBondContact O-N 2.99Å
1343	A	67.7	Low	62.4	Low	26 Å²	26	60.2 Å²	60.2	22%	0.215	36%	0.355	C	S	.	.	S	Bend	trans	-138.3	115.2	163	0	0	0	0	0	109.8	D1310 D1332 V1333 S1334	D1310-A1343 WeakPolarHBondContact OD2-CA 3.38Å; D1332-A1343 WeakPolarHBondContact CA-O 3.07Å; V1333-A1343 HydrophobicContact CG2-CB 3.74Å; V1333-A1343 PolarHBondContact N-O 3.17Å; S1334-A1343 PolarHBondContact OG-N 3.44Å
1344	C	65.7	Low	62.1	Low	2 Å²	2	59 Å²	59	1%	0.014	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	86.2	-175.9	-70.9	0	0	0	0	110.4	D1310 N1312 A1313 C1326 L1331	D1310-C1344 HydrophobicContact CB-CB 3.72Å; D1310-C1344 VanDerWaalsContact CB-N 3.28Å; D1310-C1344 PolarHBondContact OD2-N 2.89Å; N1312-C1344 HydrophobicContact CB-CB 4.02Å; A1313-C1344 WeakPolarHBondContact CB-SG 3.16Å; C1326-C1344 WeakPolarHBondContact CA-SG 3.05Å; C1326-C1344 HydrophobicContact CB-CB 3.93Å; C1326-C1344 WeakPolarHBondContact CB-SG 3.44Å; C1326-C1344 VanDerWaalsContact SG-CA 3.54Å; C1326-C1344 WeakPolarHBondContact SG-CB 3.28Å; C1326-C1344 CovalentContact SG-SG 2.04Å; C1326-C1344 PolarHBondContact SG-SG 2.96Å; L1331-C1344 CarbonylContact O-C 3.35Å; L1331-C1344 VanDerWaalsContact O-CA 3.26Å; L1331-C1344 WeakPolarHBondContact O-CA 3.45Å
1345	K	67.6	Low	61.8	Low	74 Å²	74	62.2 Å²	62.2	32%	0.322	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	134.1	176.6	-165.2	-157.4	-174.5	-155.8	0	109.4	Y1330 L1331 V1333 I1347 E1350 N1370	Y1330-K1345 CarbonylContact C-O 3.57Å; Y1330-K1345 VanDerWaalsContact CA-O 3.23Å; Y1330-K1345 WeakPolarHBondContact CA-O 3.37Å; L1331-K1345 PolarHBondContact N-O 2.91Å; L1331-K1345 PolarHBondContact O-N 2.77Å; V1333-K1345 HydrophobicContact CG1-CB 4.14Å; V1333-K1345 HydrophobicContact CG2-CB 4.04Å; K1345-I1347 PolarHBondContact O-N 2.88Å; K1345-E1350 WeakPolarHBondContact CE-OE1 3.35Å; K1345-E1350 IonicContact NZ-OE1 2.97Å; K1345-E1350 PolarHBondContact NZ-OE1 3.48Å; K1345-E1350 IonicContact NZ-OE2 3.27Å; K1345-N1370 PolarHBondContact NZ-OD1 3.28Å
1346	K	61.6	Low	62.5	Low	115 Å²	115	58.9 Å²	58.9	50%	0.5	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63	137.3	172	-168.9	170.9	-176.7	174.1	0	111	Y1330 V1348	Y1330-K1346 HydrophobicContact CD1-CB 3.66Å; Y1330-K1346 HydrophobicContact CD1-CG 4.02Å; Y1330-K1346 HydrophobicContact CE1-CB 3.44Å; Y1330-K1346 VanDerWaalsContact CE1-CB 3.44Å; Y1330-K1346 HydrophobicContact CE1-CD 3.93Å; Y1330-K1346 HydrophobicContact CE1-CG 3.56Å; K1346-V1348 HydrophobicContact CB-CG2 4.3Å; K1346-V1348 HydrophobicContact CG-CG2 4.32Å; K1346-V1348 PolarHBondContact O-N 2.78Å
1347	I	58	Low	63.3	Low	56 Å²	56	56.9 Å²	56.9	29%	0.287	33%	0.329	S	S	.	.			trans	-69.7	105.2	168	-50.9	162.6	0	0	0	106.9	G1329 K1345 P1368	G1329-I1347 WeakPolarHBondContact O-CG1 2.91Å; G1329-I1347 PolarHBondContact O-N 2.81Å; K1345-I1347 PolarHBondContact O-N 2.88Å; I1347-P1368 WeakPolarHBondContact CD1-O 3.47Å; I1347-P1368 WeakPolarHBondContact CG1-O 3.39Å
1348	V	55.7	Low	64.3	Low	60 Å²	60	50.6 Å²	50.6	36%	0.364	29%	0.288	S	S	.	.			trans	-109.8	134.5	173.3	175.6	0	0	0	0	106.1	K1346 E1350	K1346-V1348 HydrophobicContact CB-CG2 4.3Å; K1346-V1348 HydrophobicContact CG-CG2 4.32Å; K1346-V1348 PolarHBondContact O-N 2.78Å; V1348-E1350 HydrophobicContact CB-CG 4.21Å; V1348-E1350 HydrophobicContact CG1-CG 4.25Å; V1348-E1350 PolarHBondContact O-N 2.89Å; V1348-E1350 VanDerWaalsContact O-OE2 3.08Å
1349	D	60.2	Low	65.2	Low	63 Å²	63	48.8 Å²	48.8	34%	0.337	27%	0.274	S	S	.	.			trans	-71.9	85	170.1	-179.7	-11.8	0	0	0	108.2	C1351 S1352 S1353 D1366	D1349-C1351 PolarHBondContact O-N 2.97Å; D1349-C1351 PolarHBondContact OD1-N 2.95Å; D1349-S1352 CarbonylContact O-C 3.38Å; D1349-S1352 PolarHBondContact O-N 2.91Å; D1349-S1352 WeakPolarHBondContact OD1-CB 3.42Å; D1349-S1352 PolarHBondContact OD1-N 2.85Å; D1349-S1352 PolarHBondContact OD1-OG 3.03Å; D1349-S1352 WeakPolarHBondContact OD2-CB 3.04Å; D1349-S1352 PolarHBondContact OD2-OG 2.81Å; D1349-S1353 PolarHBondContact O-N 3.07Å; D1349-D1366 WeakPolarHBondContact CB-OD2 3.05Å; D1349-D1366 WeakPolarHBondContact OD1-CB 3.11Å
1350	E	64.8	Low	65.8	Low	12 Å²	12	50.5 Å²	50.5	6%	0.056	29%	0.287	C	S	.	.	H	α-helix	trans	-67.6	-24	-176.2	-72.8	113.4	-177.5	0	0	111.7	K1345 V1348 S1353 G1354 E1355 Y1371	K1345-E1350 WeakPolarHBondContact CE-OE1 3.35Å; K1345-E1350 IonicContact NZ-OE1 2.97Å; K1345-E1350 PolarHBondContact NZ-OE1 3.48Å; K1345-E1350 IonicContact NZ-OE2 3.27Å; V1348-E1350 HydrophobicContact CB-CG 4.21Å; V1348-E1350 HydrophobicContact CG1-CG 4.25Å; V1348-E1350 PolarHBondContact O-N 2.89Å; V1348-E1350 VanDerWaalsContact O-OE2 3.08Å; E1350-S1353 WeakPolarHBondContact CA-OG 3.2Å; E1350-S1353 PolarHBondContact O-OG 2.66Å; E1350-G1354 PolarHBondContact O-N 2.63Å; E1350-G1354 VanDerWaalsContact O-N 3.09Å; E1350-E1355 PolarHBondContact O-N 3.47Å; E1350-Y1371 HydrophobicContact CB-CD1 3.33Å; E1350-Y1371 HydrophobicContact CB-CE1 3.9Å; E1350-Y1371 HydrophobicContact CB-CG 3.94Å; E1350-Y1371 HydrophobicContact CG-CD1 3.75Å; E1350-Y1371 HydrophobicContact CG-CE1 4.08Å; E1350-Y1371 VanDerWaalsContact OE2-CD1 3.27Å; E1350-Y1371 WeakPolarHBondContact OE2-CD1 3.47Å; E1350-Y1371 PolarHBondContact OE2-N 2.99Å
1351	C	72.7	Confident	66.2	Low	33 Å²	33	52.2 Å²	52.2	22%	0.223	29%	0.293	C	S	.	.	H	α-helix	trans	-71.7	-28.6	170.3	-57.4	0	0	0	0	113	D1349 C1364 V1365 D1366	D1349-C1351 PolarHBondContact O-N 2.97Å; D1349-C1351 PolarHBondContact OD1-N 2.95Å; C1351-C1364 WeakPolarHBondContact CA-SG 3.31Å; C1351-C1364 HydrophobicContact CB-CB 3.84Å; C1351-C1364 WeakPolarHBondContact CB-SG 2.94Å; C1351-C1364 WeakPolarHBondContact SG-CB 3.16Å; C1351-C1364 CovalentContact SG-SG 2.04Å; C1351-C1364 PolarHBondContact SG-SG 3.02Å; C1351-V1365 PolarHBondContact SG-N 2.88Å; C1351-V1365 VanDerWaalsContact SG-N 3.38Å; C1351-D1366 HydrophobicContact CB-CB 4.34Å; C1351-D1366 PolarHBondContact SG-N 2.69Å
1352	S	65.2	Low	66.2	Low	95 Å²	95	53 Å²	53	66%	0.664	30%	0.299	S	S	*	.	H	α-helix	trans	-90.8	-22.2	174.6	-71.3	0	0	0	0	114.3	D1349	D1349-S1352 CarbonylContact O-C 3.38Å; D1349-S1352 PolarHBondContact O-N 2.91Å; D1349-S1352 WeakPolarHBondContact OD1-CB 3.42Å; D1349-S1352 PolarHBondContact OD1-N 2.85Å; D1349-S1352 PolarHBondContact OD1-OG 3.03Å; D1349-S1352 WeakPolarHBondContact OD2-CB 3.04Å; D1349-S1352 PolarHBondContact OD2-OG 2.81Å
1353	S	60.8	Low	66.5	Low	61 Å²	61	54.7 Å²	54.7	43%	0.427	31%	0.314	S	S	.	.	H	α-helix	trans	-80.1	-29.8	171.2	70.7	0	0	0	0	112.6	D1349 E1350 E1355	D1349-S1353 PolarHBondContact O-N 3.07Å; E1350-S1353 WeakPolarHBondContact CA-OG 3.2Å; E1350-S1353 PolarHBondContact O-OG 2.66Å; S1353-E1355 PolarHBondContact OG-N 3.18Å
1354	G	63.7	Low	67.1	Low	44 Å²	44	54.4 Å²	54.4	45%	0.454	31%	0.31	S	S	.	.	S	Bend	trans	86.4	4.8	-174	0	0	0	0	0	113.7	E1350 H1356	E1350-G1354 PolarHBondContact O-N 2.63Å; E1350-G1354 VanDerWaalsContact O-N 3.09Å; G1354-H1356 PolarHBondContact O-N 3.49Å; G1354-H1356 VanDerWaalsContact O-N 3.17Å
1355	E	58	Low	67.5	Low	89 Å²	89	57 Å²	57	42%	0.416	33%	0.325	S	S	.	.			trans	-90.9	56.7	177.2	-63.9	-174.2	129.6	0	0	110.6	E1350 S1353	E1350-E1355 PolarHBondContact O-N 3.47Å; S1353-E1355 PolarHBondContact OG-N 3.18Å
1356	H	66.7	Low	67.2	Low	58 Å²	58	56.3 Å²	56.3	27%	0.269	33%	0.325	S	S	.	.			trans	-123.9	140.5	178.2	69.7	67.6	0	0	0	111.8	G1354 C1364 Y1371	G1354-H1356 PolarHBondContact O-N 3.49Å; G1354-H1356 VanDerWaalsContact O-N 3.17Å; H1356-C1364 PolarHBondContact CD2-SG 2.72Å; H1356-C1364 VanDerWaalsContact CG-SG 3.56Å; H1356-Y1371 HydrophobicContact CB-CD2 3.72Å; H1356-Y1371 HydrophobicContact CB-CE1 4.36Å; H1356-Y1371 HydrophobicContact CB-CE2 3.55Å; H1356-Y1371 HydrophobicContact CB-CG 4.19Å
1357	D	67.1	Low	67.2	Low	39 Å²	39	52.8 Å²	52.8	21%	0.209	31%	0.313	C	S	.	.			trans	-100.3	24.2	-180	62.1	1.3	0	0	0	113.4	Y1371 R1391 M1761	D1357-Y1371 VanDerWaalsContact CG-OH 3.28Å; D1357-Y1371 PolarHBondContact N-OH 3.39Å; D1357-Y1371 WeakPolarHBondContact OD1-CE2 3.05Å; D1357-Y1371 PolarHBondContact OD1-OH 2.93Å; D1357-R1391 VanDerWaalsContact CG-NH2 3.25Å; D1357-R1391 WeakPolarHBondContact OD1-CD 3.42Å; D1357-R1391 IonicContact OD1-CZ 3.44Å; D1357-R1391 IonicContact OD1-NE 2.78Å; D1357-R1391 PolarHBondContact OD1-NE 2.95Å; D1357-R1391 IonicContact OD1-NH1 3.48Å; D1357-R1391 IonicContact OD1-NH2 3.79Å; D1357-R1391 PolarHBondContact OD1-NH2 2.98Å; D1357-R1391 IonicContact OD2-CZ 2.66Å; D1357-R1391 IonicContact OD2-NE 2.85Å; D1357-R1391 PolarHBondContact OD2-NE 2.68Å; D1357-R1391 IonicContact OD2-NH1 3.74Å; D1357-R1391 PolarHBondContact OD2-NH1 2.95Å; D1357-R1391 IonicContact OD2-NH2 3.77Å; D1357-R1391 PolarHBondContact OD2-NH2 2.76Å; D1357-M1761 HydrophobicContact CB-CE 4.08Å; D1357-M1761 HydrophobicContact CB-CG 4.37Å; D1357-M1761 HydrophobicContact CB-SD 3.96Å
1358	C	76.5	Confident	66.9	Low	7 Å²	7	54.6 Å²	54.6	5%	0.047	33%	0.329	C	S	.	.			trans	-57.1	143.7	168.6	-55.6	0	0	0	0	112	A1362 C1373	C1358-A1362 HydrophobicContact CB-CB 4.27Å; C1358-C1373 WeakPolarHBondContact CA-SG 3.42Å; C1358-C1373 HydrophobicContact CB-CB 3.51Å; C1358-C1373 WeakPolarHBondContact CB-SG 2.97Å; C1358-C1373 VanDerWaalsContact SG-CA 3.58Å; C1358-C1373 WeakPolarHBondContact SG-CB 3.09Å; C1358-C1373 CovalentContact SG-SG 2.03Å; C1358-C1373 PolarHBondContact SG-SG 3.04Å
1359	D	71.9	Confident	66.5	Low	23 Å²	23	56 Å²	56	12%	0.123	33%	0.334	C	S	.	.			trans	-55.9	143.8	173.6	-177.9	-69.6	0	0	0	111	I1361 A1362 G1390 C1393	D1359-I1361 PolarHBondContact O-N 3.42Å; D1359-I1361 WeakPolarHBondContact OD1-CG1 3.34Å; D1359-I1361 PolarHBondContact OD1-N 3.09Å; D1359-A1362 HydrophobicContact CB-CB 4Å; D1359-A1362 WeakPolarHBondContact O-CA 3.02Å; D1359-A1362 VanDerWaalsContact O-CB 3.29Å; D1359-A1362 WeakPolarHBondContact O-CB 3Å; D1359-A1362 PolarHBondContact O-N 3.27Å; D1359-G1390 PolarHBondContact N-O 3.19Å; D1359-C1393 HydrophobicContact CB-CB 3.96Å; D1359-C1393 PolarHBondContact OD2-N 3.45Å
1360	P	70.8	Confident	66.4	Low	78 Å²	78	54.6 Å²	54.6	51%	0.506	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-15.4	-176.7	-24.3	36.6	0	0	0	116	A1760 N1763	P1360-A1760 WeakPolarHBondContact CD-O 3.39Å; P1360-N1763 HydrophobicContact CG-CB 4.5Å
1361	I	72.3	Confident	66.5	Low	82 Å²	82	55.4 Å²	55.4	42%	0.421	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.1	-15.9	168.1	61.6	160.6	0	0	0	113.5	D1359 P1376 S1379 C1393	D1359-I1361 PolarHBondContact O-N 3.42Å; D1359-I1361 WeakPolarHBondContact OD1-CG1 3.34Å; D1359-I1361 PolarHBondContact OD1-N 3.09Å; I1361-P1376 HydrophobicContact CB-CG 4.11Å; I1361-P1376 HydrophobicContact CD1-CG 3.96Å; I1361-P1376 HydrophobicContact CG1-CG 4.2Å; I1361-P1376 WeakPolarHBondContact O-CD 3.27Å; I1361-P1376 VanDerWaalsContact O-CG 3.31Å; I1361-P1376 WeakPolarHBondContact O-CG 3.35Å; I1361-S1379 WeakPolarHBondContact CD1-OG 3.4Å; I1361-C1393 HydrophobicContact CD1-CB 3.99Å; I1361-C1393 HydrophobicContact CG1-CB 3.86Å
1362	A	71.3	Confident	66.4	Low	16 Å²	16	58.8 Å²	58.8	13%	0.132	34%	0.341	C	S	.	.	S	Bend	trans	-69.6	147.2	176.7	0	0	0	0	0	113	C1358 D1359 C1373 I1374 G1390	C1358-A1362 HydrophobicContact CB-CB 4.27Å; D1359-A1362 HydrophobicContact CB-CB 4Å; D1359-A1362 WeakPolarHBondContact O-CA 3.02Å; D1359-A1362 VanDerWaalsContact O-CB 3.29Å; D1359-A1362 WeakPolarHBondContact O-CB 3Å; D1359-A1362 PolarHBondContact O-N 3.27Å; A1362-C1373 HydrophobicContact CB-CB 4.41Å; A1362-I1374 CarbonylContact C-O 3.32Å; A1362-I1374 WeakPolarHBondContact CA-O 3.16Å; A1362-G1390 VanDerWaalsContact CB-O 3.32Å; A1362-G1390 WeakPolarHBondContact CB-O 3.23Å
1363	L	79.4	Confident	66.9	Low	116 Å²	116	54.4 Å²	54.4	61%	0.607	31%	0.31	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.1	114.5	167.3	-178.9	66	0	0	0	109.1	V1365 I1374	L1363-V1365 HydrophobicContact CD2-CG2 3.79Å; L1363-V1365 HydrophobicContact CG-CG2 3.8Å; L1363-V1365 PolarHBondContact O-N 3.2Å; L1363-I1374 PolarHBondContact N-O 3.26Å; L1363-I1374 PolarHBondContact O-N 3.28Å
1364	C	79.5	Confident	67.4	Low	20 Å²	20	55.1 Å²	55.1	14%	0.135	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66	125.3	162.1	-166.3	0	0	0	0	108.9	C1351 H1356	C1351-C1364 WeakPolarHBondContact CA-SG 3.31Å; C1351-C1364 HydrophobicContact CB-CB 3.84Å; C1351-C1364 WeakPolarHBondContact CB-SG 2.94Å; C1351-C1364 WeakPolarHBondContact SG-CB 3.16Å; C1351-C1364 CovalentContact SG-SG 2.04Å; C1351-C1364 PolarHBondContact SG-SG 3.02Å; H1356-C1364 PolarHBondContact CD2-SG 2.72Å; H1356-C1364 VanDerWaalsContact CG-SG 3.56Å
1365	V	73.9	Confident	67.8	Low	55 Å²	55	54 Å²	54	33%	0.333	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	114.9	171.8	-178.2	0	0	0	0	108	C1351 L1363 T1367 K1372 I1374	C1351-V1365 PolarHBondContact SG-N 2.88Å; C1351-V1365 VanDerWaalsContact SG-N 3.38Å; L1363-V1365 HydrophobicContact CD2-CG2 3.79Å; L1363-V1365 HydrophobicContact CG-CG2 3.8Å; L1363-V1365 PolarHBondContact O-N 3.2Å; V1365-T1367 WeakPolarHBondContact O-CG2 3.15Å; V1365-K1372 PolarHBondContact N-O 3.42Å; V1365-K1372 PolarHBondContact O-N 3.02Å; V1365-I1374 HydrophobicContact CB-CD1 4.18Å; V1365-I1374 HydrophobicContact CG2-CD1 3.69Å; V1365-I1374 HydrophobicContact CG2-CG1 4.29Å
1366	D	61.9	Low	68.1	Low	60 Å²	60	51.9 Å²	51.9	32%	0.321	29%	0.287	S	S	.	.			trans	-63.6	138.4	175.8	-172.2	39.9	0	0	0	110.3	D1349 C1351	D1349-D1366 WeakPolarHBondContact CB-OD2 3.05Å; D1349-D1366 WeakPolarHBondContact OD1-CB 3.11Å; C1351-D1366 HydrophobicContact CB-CB 4.34Å; C1351-D1366 PolarHBondContact SG-N 2.69Å
1367	T	60.4	Low	68	Low	41 Å²	41	54.4 Å²	54.4	25%	0.252	32%	0.318	S	S	.	.			trans	-130.7	159.4	177.3	88.6	0	0	0	0	109.5	V1365 D1369 N1370 K1372	V1365-T1367 WeakPolarHBondContact O-CG2 3.15Å; T1367-D1369 PolarHBondContact O-N 3.36Å; T1367-N1370 WeakPolarHBondContact CB-O 3.5Å; T1367-N1370 PolarHBondContact N-O 2.9Å; T1367-N1370 PolarHBondContact O-N 3.48Å; T1367-N1370 PolarHBondContact OG1-O 3.4Å; T1367-K1372 HydrophobicContact CG2-CB 3.69Å
1368	P	53.3	Low	67.6	Low	95 Å²	95	58 Å²	58	62%	0.617	34%	0.337	S	S	*	.	S	Bend	trans	-60.4	-7.8	-174.4	-23.2	34.9	0	0	0	115.3	I1347	I1347-P1368 WeakPolarHBondContact CD1-O 3.47Å; I1347-P1368 WeakPolarHBondContact CG1-O 3.39Å
1369	D	47.2	Very low	66.6	Low	88 Å²	88	58 Å²	58	47%	0.471	34%	0.337	S	S	.	.	S	Bend	trans	-114.5	-48.4	-171.8	-60	-32.2	0	0	0	109.8	L1331 T1367	L1331-D1369 WeakPolarHBondContact CB-O 3.2Å; L1331-D1369 HydrophobicContact CD1-CB 3.62Å; L1331-D1369 HydrophobicContact CD2-CB 3.85Å; L1331-D1369 WeakPolarHBondContact CD2-O 3.47Å; L1331-D1369 HydrophobicContact CG-CB 4.15Å; T1367-D1369 PolarHBondContact O-N 3.36Å
1370	N	56.4	Low	65.9	Low	35 Å²	35	58.3 Å²	58.3	19%	0.187	34%	0.34	C	S	.	.	S	Bend	trans	-163.3	164.9	174	-174.8	89.4	0	0	0	108.2	K1345 T1367	K1345-N1370 PolarHBondContact NZ-OD1 3.28Å; T1367-N1370 WeakPolarHBondContact CB-O 3.5Å; T1367-N1370 PolarHBondContact N-O 2.9Å; T1367-N1370 PolarHBondContact O-N 3.48Å; T1367-N1370 PolarHBondContact OG1-O 3.4Å
1371	Y	67.9	Low	65.7	Low	29 Å²	29	57.2 Å²	57.2	11%	0.114	33%	0.33	C	S	.	.			trans	-54.2	147.2	164.5	66.5	-76.8	0	0	0	113.4	E1350 H1356 D1357 R1391	E1350-Y1371 HydrophobicContact CB-CD1 3.33Å; E1350-Y1371 HydrophobicContact CB-CE1 3.9Å; E1350-Y1371 HydrophobicContact CB-CG 3.94Å; E1350-Y1371 HydrophobicContact CG-CD1 3.75Å; E1350-Y1371 HydrophobicContact CG-CE1 4.08Å; E1350-Y1371 VanDerWaalsContact OE2-CD1 3.27Å; E1350-Y1371 WeakPolarHBondContact OE2-CD1 3.47Å; E1350-Y1371 PolarHBondContact OE2-N 2.99Å; H1356-Y1371 HydrophobicContact CB-CD2 3.72Å; H1356-Y1371 HydrophobicContact CB-CE1 4.36Å; H1356-Y1371 HydrophobicContact CB-CE2 3.55Å; H1356-Y1371 HydrophobicContact CB-CG 4.19Å; D1357-Y1371 VanDerWaalsContact CG-OH 3.28Å; D1357-Y1371 PolarHBondContact N-OH 3.39Å; D1357-Y1371 WeakPolarHBondContact OD1-CE2 3.05Å; D1357-Y1371 PolarHBondContact OD1-OH 2.93Å; Y1371-R1391 PolarHBondContact OH-NH2 2.86Å; Y1371-R1391 VanDerWaalsContact OH-NH2 3.17Å
1372	K	69.6	Low	65.4	Low	104 Å²	104	55 Å²	55	45%	0.452	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	125.8	169.2	177.1	167.1	-177.3	159.2	0	110.1	V1365 T1367 I1374	V1365-K1372 PolarHBondContact N-O 3.42Å; V1365-K1372 PolarHBondContact O-N 3.02Å; T1367-K1372 HydrophobicContact CG2-CB 3.69Å; K1372-I1374 HydrophobicContact CG-CG1 4.21Å
1373	C	76.5	Confident	65.1	Low	3 Å²	3	55 Å²	55	2%	0.02	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	144.3	172.6	-45.4	0	0	0	0	110.1	C1358 A1362 P1389 G1390	C1358-C1373 WeakPolarHBondContact CA-SG 3.42Å; C1358-C1373 HydrophobicContact CB-CB 3.51Å; C1358-C1373 WeakPolarHBondContact CB-SG 2.97Å; C1358-C1373 VanDerWaalsContact SG-CA 3.58Å; C1358-C1373 WeakPolarHBondContact SG-CB 3.09Å; C1358-C1373 CovalentContact SG-SG 2.03Å; C1358-C1373 PolarHBondContact SG-SG 3.04Å; A1362-C1373 HydrophobicContact CB-CB 4.41Å; C1373-P1389 VanDerWaalsContact CB-O 3.29Å; C1373-P1389 WeakPolarHBondContact CB-O 3.33Å; C1373-P1389 VanDerWaalsContact O-O 3.14Å; C1373-G1390 VanDerWaalsContact CB-C 3.43Å; C1373-G1390 WeakPolarHBondContact CB-O 3.48Å
1374	I	72	Confident	63.8	Low	76 Å²	76	55.6 Å²	55.6	39%	0.39	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	109.2	-177.3	-53	-175.9	0	0	0	109.4	A1362 L1363 V1365 K1372	A1362-I1374 CarbonylContact C-O 3.32Å; A1362-I1374 WeakPolarHBondContact CA-O 3.16Å; L1363-I1374 PolarHBondContact N-O 3.26Å; L1363-I1374 PolarHBondContact O-N 3.28Å; V1365-I1374 HydrophobicContact CB-CD1 4.18Å; V1365-I1374 HydrophobicContact CG2-CD1 3.69Å; V1365-I1374 HydrophobicContact CG2-CG1 4.29Å; K1372-I1374 HydrophobicContact CG-CG1 4.21Å
1375	C	71	Confident	62.3	Low	21 Å²	21	58.4 Å²	58.4	14%	0.142	34%	0.342	C	S	.	.			trans	-57.1	138.1	174.1	-59.6	0	0	0	0	111.3	C1393	C1375-C1393 WeakPolarHBondContact CA-SG 3.39Å; C1375-C1393 HydrophobicContact CB-CB 3.77Å; C1375-C1393 WeakPolarHBondContact CB-SG 3.4Å; C1375-C1393 VanDerWaalsContact SG-CA 3.56Å; C1375-C1393 WeakPolarHBondContact SG-CB 3.2Å; C1375-C1393 CovalentContact SG-SG 2.03Å; C1375-C1393 PolarHBondContact SG-SG 3.23Å
1376	P	65.3	Low	61.4	Low	43 Å²	43	60.6 Å²	60.6	28%	0.279	36%	0.358	S	S	.	.			trans	-67.7	142.2	176	28	-34.2	0	0	0	109.5	I1361 N1378 S1379	I1361-P1376 HydrophobicContact CB-CG 4.11Å; I1361-P1376 HydrophobicContact CD1-CG 3.96Å; I1361-P1376 HydrophobicContact CG1-CG 4.2Å; I1361-P1376 WeakPolarHBondContact O-CD 3.27Å; I1361-P1376 VanDerWaalsContact O-CG 3.31Å; I1361-P1376 WeakPolarHBondContact O-CG 3.35Å; P1376-N1378 PolarHBondContact O-N 2.03Å; P1376-S1379 WeakPolarHBondContact CD-OG 3.37Å; P1376-S1379 WeakPolarHBondContact CG-OG 3.43Å; P1376-S1379 CarbonylContact O-C 3.47Å; P1376-S1379 WeakPolarHBondContact O-CA 3.25Å; P1376-S1379 PolarHBondContact O-N 3.47Å; P1376-S1379 PolarHBondContact O-OG 3.13Å
1377	A	64.3	Low	61.2	Low	112 Å²	112	62.2 Å²	62.2	93%	0.926	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.3	9.2	-162.6	0	0	0	0	0	117.8
1378	N	58.7	Low	61.3	Low	114 Å²	114	64.7 Å²	64.7	61%	0.61	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.4	6.7	168	70.3	-74	0	0	0	112.8	P1376	P1376-N1378 PolarHBondContact O-N 2.03Å
1379	S	54	Low	61.6	Low	7 Å²	7	61.9 Å²	61.9	5%	0.049	36%	0.363	C	S	.	.	S	Bend	trans	-133	157.6	172.9	67	0	0	0	0	108.1	I1361 P1376	I1361-S1379 WeakPolarHBondContact CD1-OG 3.4Å; P1376-S1379 WeakPolarHBondContact CD-OG 3.37Å; P1376-S1379 WeakPolarHBondContact CG-OG 3.43Å; P1376-S1379 CarbonylContact O-C 3.47Å; P1376-S1379 WeakPolarHBondContact O-CA 3.25Å; P1376-S1379 PolarHBondContact O-N 3.47Å; P1376-S1379 PolarHBondContact O-OG 3.13Å
1380	T	58.9	Low	62.6	Low	29 Å²	29	57.7 Å²	57.7	18%	0.178	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	148.3	-166.4	52.7	0	0	0	0	110.2	C1393 R1394 A1396 D1417	T1380-C1393 CarbonylContact O-C 3.08Å; T1380-R1394 PolarHBondContact N-O 3Å; T1380-R1394 PolarHBondContact O-N 3.13Å; T1380-R1394 PolarHBondContact OG1-O 2.78Å; T1380-A1396 HydrophobicContact CG2-CB 4.11Å; T1380-D1417 VanDerWaalsContact CB-CB 3.42Å; T1380-D1417 WeakPolarHBondContact CB-OD2 3.5Å; T1380-D1417 HydrophobicContact CG2-CB 4.27Å; T1380-D1417 WeakPolarHBondContact OG1-CB 3.47Å; T1380-D1417 PolarHBondContact OG1-O 3.47Å
1381	D	65.3	Low	63.4	Low	55 Å²	55	58.5 Å²	58.5	29%	0.294	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	120.3	-166.1	-168	-1.7	0	0	0	110.5	S1383 P1389 G1390	D1381-S1383 WeakPolarHBondContact OD1-CB 3.35Å; D1381-S1383 PolarHBondContact OD1-N 3.37Å; D1381-S1383 PolarHBondContact OD1-OG 3Å; D1381-P1389 VanDerWaalsContact OD2-C 3.28Å; D1381-P1389 WeakPolarHBondContact OD2-CA 3.45Å; D1381-P1389 WeakPolarHBondContact OD2-CB 3.29Å; D1381-G1390 PolarHBondContact OD1-N 3.14Å; D1381-G1390 VanDerWaalsContact OD1-N 3.07Å; D1381-G1390 PolarHBondContact OD2-N 2.76Å
1382	I	67.6	Low	63.3	Low	36 Å²	36	59.7 Å²	59.7	19%	0.185	35%	0.351	C	S	.	.			trans	-123.7	16.4	-176.5	68.6	149.7	0	0	0	111.8	V1392 R1394 D1417 T1418	I1382-V1392 HydrophobicContact CD1-CB 4.49Å; I1382-V1392 HydrophobicContact CD1-CG1 3.69Å; I1382-V1392 HydrophobicContact CG1-CB 3.93Å; I1382-V1392 HydrophobicContact CG1-CG1 3.6Å; I1382-V1392 VanDerWaalsContact CG1-O 3.3Å; I1382-V1392 WeakPolarHBondContact CG1-O 3.25Å; I1382-V1392 PolarHBondContact N-O 3.41Å; I1382-R1394 HydrophobicContact CB-CB 4.38Å; I1382-R1394 HydrophobicContact CD1-CB 3.62Å; I1382-R1394 HydrophobicContact CD1-CG 4.39Å; I1382-R1394 HydrophobicContact CG1-CB 3.72Å; I1382-R1394 HydrophobicContact CG2-CB 3.73Å; I1382-D1417 HydrophobicContact CG2-CB 4.2Å; I1382-D1417 WeakPolarHBondContact CG2-O 3.48Å; I1382-T1418 HydrophobicContact CB-CG2 3.84Å; I1382-T1418 WeakPolarHBondContact CB-OG1 3.48Å; I1382-T1418 HydrophobicContact CD1-CG2 3.84Å; I1382-T1418 HydrophobicContact CG1-CG2 4.48Å; I1382-T1418 HydrophobicContact CG2-CG2 3.88Å; I1382-T1418 WeakPolarHBondContact CG2-OG1 3.34Å
1383	S	64.3	Low	63.1	Low	15 Å²	15	55.2 Å²	55.2	11%	0.105	33%	0.332	C	S	.	.			trans	-55.3	119.4	175.4	-50.7	0	0	0	0	108.9	D1381 N1385 F1388 G1390 R1391 V1392	D1381-S1383 WeakPolarHBondContact OD1-CB 3.35Å; D1381-S1383 PolarHBondContact OD1-N 3.37Å; D1381-S1383 PolarHBondContact OD1-OG 3Å; S1383-N1385 PolarHBondContact O-N 3.36Å; S1383-F1388 WeakPolarHBondContact CB-O 3.31Å; S1383-G1390 PolarHBondContact OG-N 3.14Å; S1383-R1391 PolarHBondContact OG-N 2.99Å; S1383-V1392 PolarHBondContact OG-N 3.02Å
1384	P	52.6	Low	62.3	Low	129 Å²	129	59.1 Å²	59.1	84%	0.838	35%	0.347	S	S	*	.	S	Bend	trans	-70.3	2.9	-167	26.3	-35.1	0	0	0	115.2
1385	N	47.3	Very low	61.6	Low	80 Å²	80	60.4 Å²	60.4	43%	0.428	35%	0.354	S	S	.	.	S	Bend	trans	-126.8	113.7	170.9	-176.2	-28.8	0	0	0	109.2	S1383 S1387 F1388	S1383-N1385 PolarHBondContact O-N 3.36Å; N1385-S1387 PolarHBondContact O-N 3.49Å; N1385-S1387 WeakPolarHBondContact OD1-CB 3.21Å; N1385-S1387 PolarHBondContact OD1-N 3.02Å; N1385-F1388 PolarHBondContact O-N 3.19Å
1386	P	54.9	Low	60.5	Low	101 Å²	101	62.1 Å²	62.1	66%	0.656	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-19.4	-177.2	-27	35.6	0	0	0	115.8	F1388	P1386-F1388 VanDerWaalsContact C-N 3.25Å; P1386-F1388 PolarHBondContact O-N 3.23Å
1387	S	57.2	Low	59.7	Low	93 Å²	93	65.6 Å²	65.6	65%	0.65	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.3	-16.7	177.2	-59.1	0	0	0	0	113.3	N1385 P1389	N1385-S1387 PolarHBondContact O-N 3.49Å; N1385-S1387 WeakPolarHBondContact OD1-CB 3.21Å; N1385-S1387 PolarHBondContact OD1-N 3.02Å; S1387-P1389 WeakPolarHBondContact O-CD 3.43Å
1388	F	62.4	Low	59.1	Low	93 Å²	93	64.9 Å²	64.9	41%	0.408	37%	0.365	S	S	.	.	S	Bend	trans	-124.8	64	-178.5	-64.2	-70.7	0	0	0	112.3	S1383 N1385 P1386 R1391	S1383-F1388 WeakPolarHBondContact CB-O 3.31Å; N1385-F1388 PolarHBondContact O-N 3.19Å; P1386-F1388 VanDerWaalsContact C-N 3.25Å; P1386-F1388 PolarHBondContact O-N 3.23Å; F1388-R1391 VanDerWaalsContact CD1-NH1 3.32Å
1389	P	59.5	Low	59	Low	36 Å²	36	62 Å²	62	23%	0.234	35%	0.347	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.1	146.9	-178.5	28.5	-35.9	0	0	0	112.4	C1373 D1381 S1387	C1373-P1389 VanDerWaalsContact CB-O 3.29Å; C1373-P1389 WeakPolarHBondContact CB-O 3.33Å; C1373-P1389 VanDerWaalsContact O-O 3.14Å; D1381-P1389 VanDerWaalsContact OD2-C 3.28Å; D1381-P1389 WeakPolarHBondContact OD2-CA 3.45Å; D1381-P1389 WeakPolarHBondContact OD2-CB 3.29Å; S1387-P1389 WeakPolarHBondContact O-CD 3.43Å
1390	G	69.3	Low	59.3	Low	0 Å²	0	62.7 Å²	62.7	0%	0	35%	0.351	C	S	.	.	T	Hydrogen-bonded Turn	trans	86.3	15.7	171.7	0	0	0	0	0	116.1	D1359 A1362 C1373 D1381 S1383	D1359-G1390 PolarHBondContact N-O 3.19Å; A1362-G1390 VanDerWaalsContact CB-O 3.32Å; A1362-G1390 WeakPolarHBondContact CB-O 3.23Å; C1373-G1390 VanDerWaalsContact CB-C 3.43Å; C1373-G1390 WeakPolarHBondContact CB-O 3.48Å; D1381-G1390 PolarHBondContact OD1-N 3.14Å; D1381-G1390 VanDerWaalsContact OD1-N 3.07Å; D1381-G1390 PolarHBondContact OD2-N 2.76Å; S1383-G1390 PolarHBondContact OG-N 3.14Å
1391	R	72.6	Confident	59.1	Low	52 Å²	52	64.2 Å²	64.2	20%	0.196	37%	0.373	C	S	.	.	S	Bend	trans	-91.2	-21.4	178.1	-64.2	-177.4	169.9	-172	-21.2	113.4	D1357 Y1371 S1383 F1388 A1760	D1357-R1391 VanDerWaalsContact CG-NH2 3.25Å; D1357-R1391 WeakPolarHBondContact OD1-CD 3.42Å; D1357-R1391 IonicContact OD1-CZ 3.44Å; D1357-R1391 IonicContact OD1-NE 2.78Å; D1357-R1391 PolarHBondContact OD1-NE 2.95Å; D1357-R1391 IonicContact OD1-NH1 3.48Å; D1357-R1391 IonicContact OD1-NH2 3.79Å; D1357-R1391 PolarHBondContact OD1-NH2 2.98Å; D1357-R1391 IonicContact OD2-CZ 2.66Å; D1357-R1391 IonicContact OD2-NE 2.85Å; D1357-R1391 PolarHBondContact OD2-NE 2.68Å; D1357-R1391 IonicContact OD2-NH1 3.74Å; D1357-R1391 PolarHBondContact OD2-NH1 2.95Å; D1357-R1391 IonicContact OD2-NH2 3.77Å; D1357-R1391 PolarHBondContact OD2-NH2 2.76Å; Y1371-R1391 PolarHBondContact OH-NH2 2.86Å; Y1371-R1391 VanDerWaalsContact OH-NH2 3.17Å; S1383-R1391 PolarHBondContact OG-N 2.99Å; F1388-R1391 VanDerWaalsContact CD1-NH1 3.32Å; R1391-A1760 WeakPolarHBondContact O-CB 3.07Å
1392	V	66.4	Low	58.7	Low	54 Å²	54	64.5 Å²	64.5	33%	0.327	38%	0.379	S	S	.	.	S	Bend	trans	-137.5	112.2	166.7	-170	0	0	0	0	108.9	I1382 S1383	I1382-V1392 HydrophobicContact CD1-CB 4.49Å; I1382-V1392 HydrophobicContact CD1-CG1 3.69Å; I1382-V1392 HydrophobicContact CG1-CB 3.93Å; I1382-V1392 HydrophobicContact CG1-CG1 3.6Å; I1382-V1392 VanDerWaalsContact CG1-O 3.3Å; I1382-V1392 WeakPolarHBondContact CG1-O 3.25Å; I1382-V1392 PolarHBondContact N-O 3.41Å; S1383-V1392 PolarHBondContact OG-N 3.02Å
1393	C	66	Low	58.1	Low	10 Å²	10	71.5 Å²	71.5	7%	0.068	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	98.1	-174.8	-65.6	0	0	0	0	110.8	D1359 I1361 C1375 T1380	D1359-C1393 HydrophobicContact CB-CB 3.96Å; D1359-C1393 PolarHBondContact OD2-N 3.45Å; I1361-C1393 HydrophobicContact CD1-CB 3.99Å; I1361-C1393 HydrophobicContact CG1-CB 3.86Å; C1375-C1393 WeakPolarHBondContact CA-SG 3.39Å; C1375-C1393 HydrophobicContact CB-CB 3.77Å; C1375-C1393 WeakPolarHBondContact CB-SG 3.4Å; C1375-C1393 VanDerWaalsContact SG-CA 3.56Å; C1375-C1393 WeakPolarHBondContact SG-CB 3.2Å; C1375-C1393 CovalentContact SG-SG 2.03Å; C1375-C1393 PolarHBondContact SG-SG 3.23Å; T1380-C1393 CarbonylContact O-C 3.08Å
1394	R	58.9	Low	57.5	Low	85 Å²	85	77.6 Å²	77.6	32%	0.321	44%	0.437	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	131.9	179.7	175	175.5	-179.1	138.9	6.7	110.4	T1380 I1382 A1396	T1380-R1394 PolarHBondContact N-O 3Å; T1380-R1394 PolarHBondContact O-N 3.13Å; T1380-R1394 PolarHBondContact OG1-O 2.78Å; I1382-R1394 HydrophobicContact CB-CB 4.38Å; I1382-R1394 HydrophobicContact CD1-CB 3.62Å; I1382-R1394 HydrophobicContact CD1-CG 4.39Å; I1382-R1394 HydrophobicContact CG1-CB 3.72Å; I1382-R1394 HydrophobicContact CG2-CB 3.73Å; R1394-A1396 PolarHBondContact O-N 2.77Å
1395	I	57.8	Low	57.8	Low	104 Å²	104	74.9 Å²	74.9	53%	0.533	41%	0.413	S	S	.	.	P	Polyproline II helix	trans	-69	120.5	166.6	-63.1	170.7	0	0	0	107.9
1396	A	48	Very low	58.9	Low	56 Å²	56	74.8 Å²	74.8	46%	0.463	41%	0.412	S	S	.	.	P	Polyproline II helix	trans	-60.6	138.7	-170.9	0	0	0	0	0	112.7	T1380 R1394	T1380-A1396 HydrophobicContact CG2-CB 4.11Å; R1394-A1396 PolarHBondContact O-N 2.77Å
1397	I	48.1	Very low	59.6	Low	117 Å²	117	71.3 Å²	71.3	60%	0.6	39%	0.39	S	S	*	.			trans	-130.2	124.1	174.9	-58.2	176.4	0	0	0	107.6	K1399	I1397-K1399 PolarHBondContact O-N 3.34Å
1398	D	51.3	Low	60.1	Low	97 Å²	97	68.6 Å²	68.6	52%	0.519	37%	0.369	S	S	.	.			trans	-72.3	111.9	-175.8	-170.8	-27.1	0	0	0	111.7	G1401 N1415	D1398-G1401 VanDerWaalsContact OD1-CA 3.26Å; D1398-G1401 WeakPolarHBondContact OD1-CA 3.44Å; D1398-G1401 PolarHBondContact OD1-N 2.71Å; D1398-N1415 VanDerWaalsContact CG-ND2 3.27Å; D1398-N1415 PolarHBondContact OD1-ND2 3.35Å
1399	K	56.6	Low	60.2	Low	53 Å²	53	66.4 Å²	66.4	23%	0.23	37%	0.372	C	S	.	.	S	Bend	trans	-98.6	-35.9	-177.3	-73.1	173.6	169.6	-178	0	113.9	I1397 G1401 S1402 K1403 M1404 N1415 T1418 F1420	I1397-K1399 PolarHBondContact O-N 3.34Å; K1399-G1401 VanDerWaalsContact C-N 3.29Å; K1399-S1402 WeakPolarHBondContact CA-OG 3.39Å; K1399-S1402 CarbonylContact O-C 3.44Å; K1399-S1402 PolarHBondContact O-N 3.25Å; K1399-S1402 PolarHBondContact O-OG 3.36Å; K1399-K1403 PolarHBondContact O-N 3.17Å; K1399-K1403 VanDerWaalsContact O-N 3.12Å; K1399-M1404 PolarHBondContact O-N 2.95Å; K1399-N1415 WeakPolarHBondContact CA-OD1 3.4Å; K1399-N1415 PolarHBondContact N-OD1 2.72Å; K1399-T1418 PolarHBondContact NZ-O 3.5Å; K1399-F1420 HydrophobicContact CB-CD1 4.29Å; K1399-F1420 HydrophobicContact CD-CD1 4.47Å
1400	C	61.4	Low	60.6	Low	21 Å²	21	67.4 Å²	67.4	14%	0.142	38%	0.375	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-43.8	170.4	-60.6	0	0	0	0	109.8	S1402 K1403 C1413 N1415	C1400-S1402 VanDerWaalsContact C-N 3.31Å; C1400-S1402 PolarHBondContact O-N 2.91Å; C1400-K1403 PolarHBondContact O-N 2.94Å; C1400-C1413 HydrophobicContact CB-CB 3.95Å; C1400-C1413 WeakPolarHBondContact CB-SG 3.29Å; C1400-C1413 WeakPolarHBondContact SG-CB 3.5Å; C1400-C1413 PolarHBondContact SG-O 2.82Å; C1400-C1413 VanDerWaalsContact SG-O 3.39Å; C1400-C1413 CovalentContact SG-SG 2.05Å; C1400-C1413 PolarHBondContact SG-SG 3.29Å; C1400-N1415 PolarHBondContact N-OD1 3.35Å; C1400-N1415 PolarHBondContact SG-N 3.48Å; C1400-N1415 VanDerWaalsContact SG-N 3.42Å
1401	G	54	Low	60.2	Low	62 Å²	62	67.6 Å²	67.6	64%	0.639	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70	-21.3	174.8	0	0	0	0	0	114.4	D1398 K1399 K1403	D1398-G1401 VanDerWaalsContact OD1-CA 3.26Å; D1398-G1401 WeakPolarHBondContact OD1-CA 3.44Å; D1398-G1401 PolarHBondContact OD1-N 2.71Å; K1399-G1401 VanDerWaalsContact C-N 3.29Å; G1401-K1403 VanDerWaalsContact C-N 3.33Å
1402	S	55.9	Low	60.1	Low	61 Å²	61	67 Å²	67	43%	0.427	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.3	5.8	168.2	85.3	0	0	0	0	113.7	K1399 C1400 M1404	K1399-S1402 WeakPolarHBondContact CA-OG 3.39Å; K1399-S1402 CarbonylContact O-C 3.44Å; K1399-S1402 PolarHBondContact O-N 3.25Å; K1399-S1402 PolarHBondContact O-OG 3.36Å; C1400-S1402 VanDerWaalsContact C-N 3.31Å; C1400-S1402 PolarHBondContact O-N 2.91Å; S1402-M1404 PolarHBondContact O-N 3.05Å; S1402-M1404 VanDerWaalsContact O-N 3.15Å; S1402-M1404 WeakPolarHBondContact OG-CG 3.12Å
1403	K	55.7	Low	60.4	Low	182 Å²	182	66.1 Å²	66.1	79%	0.791	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.2	20.1	-175	-71.3	-166.7	170.2	-166.1	0	115.7	K1399 C1400 G1401 H1405	K1399-K1403 PolarHBondContact O-N 3.17Å; K1399-K1403 VanDerWaalsContact O-N 3.12Å; C1400-K1403 PolarHBondContact O-N 2.94Å; G1401-K1403 VanDerWaalsContact C-N 3.33Å; K1403-H1405 PolarHBondContact O-N 2.03Å; K1403-H1405 VanDerWaalsContact O-N 3.12Å
1404	M	52.6	Low	60.3	Low	143 Å²	143	68.1 Å²	68.1	70%	0.704	39%	0.387	S	S	*	.			trans	-90.6	57	177	-65.1	-176.8	80.6	0	0	110.3	K1399 S1402 F1420	K1399-M1404 PolarHBondContact O-N 2.95Å; S1402-M1404 PolarHBondContact O-N 3.05Å; S1402-M1404 VanDerWaalsContact O-N 3.15Å; S1402-M1404 WeakPolarHBondContact OG-CG 3.12Å; M1404-F1420 WeakPolarHBondContact O-CD1 3.36Å; M1404-F1420 WeakPolarHBondContact O-CE1 3.46Å
1405	H	57.4	Low	60	Low	72 Å²	72	66.9 Å²	66.9	33%	0.333	39%	0.387	S	S	.	.			trans	-143.5	152.1	-178.3	82	89.9	0	0	0	112.9	K1403 C1407 C1413 F1420	K1403-H1405 PolarHBondContact O-N 2.03Å; K1403-H1405 VanDerWaalsContact O-N 3.12Å; H1405-C1407 PolarHBondContact ND1-SG 2.82Å; H1405-C1407 VanDerWaalsContact ND1-SG 3.42Å; H1405-C1413 WeakPolarHBondContact CB-SG 3.44Å; H1405-C1413 PolarHBondContact ND1-SG 3.42Å; H1405-F1420 HydrophobicContact CB-CB 4.49Å; H1405-F1420 HydrophobicContact CB-CD1 3.81Å; H1405-F1420 HydrophobicContact CB-CD2 3.64Å; H1405-F1420 HydrophobicContact CB-CE1 3.96Å; H1405-F1420 HydrophobicContact CB-CE2 3.78Å; H1405-F1420 HydrophobicContact CB-CG 3.67Å; H1405-F1420 HydrophobicContact CB-CZ 3.96Å
1406	D	70.3	Confident	59.8	Low	78 Å²	78	64.2 Å²	64.2	42%	0.417	38%	0.376	S	S	.	.			trans	-131.2	71.5	-173.2	54.7	-16.4	0	0	0	110.4	F1420 R1437 R1440	D1406-F1420 WeakPolarHBondContact OD1-CE2 3.08Å; D1406-F1420 WeakPolarHBondContact OD1-CZ 3.38Å; D1406-R1437 IonicContact OD1-NH1 2.72Å; D1406-R1437 IonicContact OD2-NH1 3.46Å; D1406-R1437 PolarHBondContact OD2-NH1 2.83Å; D1406-R1440 PolarHBondContact O-NE 3.13Å; D1406-R1440 PolarHBondContact O-NH1 2.8Å; D1406-R1440 PolarHBondContact O-NH2 3.11Å; D1406-R1440 IonicContact OD1-CZ 3.67Å; D1406-R1440 IonicContact OD1-NH1 3.04Å; D1406-R1440 PolarHBondContact OD1-NH1 3.1Å; D1406-R1440 IonicContact OD1-NH2 3.49Å; D1406-R1440 PolarHBondContact OD1-NH2 3.1Å; D1406-R1440 IonicContact OD2-CZ 3.32Å; D1406-R1440 IonicContact OD2-NH1 3.49Å; D1406-R1440 PolarHBondContact OD2-NH1 3.48Å; D1406-R1440 IonicContact OD2-NH2 2.72Å; D1406-R1440 PolarHBondContact OD2-NH2 3.04Å
1407	C	71	Confident	59.7	Low	29 Å²	29	65.1 Å²	65.1	20%	0.196	37%	0.373	C	S	.	.			trans	-109.8	156.2	179.2	-55.9	0	0	0	0	111.4	H1405 C1422	H1405-C1407 PolarHBondContact ND1-SG 2.82Å; H1405-C1407 VanDerWaalsContact ND1-SG 3.42Å; C1407-C1422 WeakPolarHBondContact CA-SG 3.5Å; C1407-C1422 HydrophobicContact CB-CB 3.53Å; C1407-C1422 WeakPolarHBondContact CB-SG 3.45Å; C1407-C1422 WeakPolarHBondContact SG-CB 3.41Å; C1407-C1422 CovalentContact SG-SG 2.03Å; C1407-C1422 PolarHBondContact SG-SG 2.87Å
1408	D	67.5	Low	59.5	Low	36 Å²	36	62.2 Å²	62.2	19%	0.193	36%	0.36	C	S	.	.			trans	-61.2	149.6	165.8	-161.6	-39.4	0	0	0	110.3	N1410 A1411 G1439 F1441 C1442	D1408-N1410 PolarHBondContact O-N 3.45Å; D1408-N1410 VanDerWaalsContact OD1-CB 3.32Å; D1408-N1410 WeakPolarHBondContact OD1-CB 3.34Å; D1408-N1410 PolarHBondContact OD1-N 2.04Å; D1408-A1411 HydrophobicContact CB-CB 3.92Å; D1408-A1411 CarbonylContact O-C 3.59Å; D1408-A1411 PolarHBondContact O-N 3.06Å; D1408-G1439 PolarHBondContact N-O 3.42Å; D1408-F1441 WeakPolarHBondContact OD2-CA 3.47Å; D1408-C1442 PolarHBondContact OD2-N 3.21Å; D1408-C1442 VanDerWaalsContact OD2-N 3.11Å
1409	G	64.9	Low	59.5	Low	46 Å²	46	59.7 Å²	59.7	47%	0.474	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-29.6	167.2	0	0	0	0	0	112.4	A1411 K1425 V1984	G1409-A1411 PolarHBondContact O-N 3.37Å; G1409-K1425 PolarHBondContact O-NZ 3.36Å; G1409-V1984 WeakPolarHBondContact O-CG2 3.35Å
1410	N	66.9	Low	59.8	Low	58 Å²	58	59 Å²	59	31%	0.31	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.1	8.2	172.7	-67.2	-9.9	0	0	0	113.2	D1408 K1425 F1428 C1442	D1408-N1410 PolarHBondContact O-N 3.45Å; D1408-N1410 VanDerWaalsContact OD1-CB 3.32Å; D1408-N1410 WeakPolarHBondContact OD1-CB 3.34Å; D1408-N1410 PolarHBondContact OD1-N 2.04Å; N1410-K1425 VanDerWaalsContact O-CB 3.31Å; N1410-K1425 WeakPolarHBondContact O-CB 2.92Å; N1410-K1425 WeakPolarHBondContact O-CG 3.19Å; N1410-K1425 PolarHBondContact O-N 2.73Å; N1410-K1425 VanDerWaalsContact O-N 3.13Å; N1410-F1428 HydrophobicContact CB-CD2 3.7Å; N1410-F1428 HydrophobicContact CB-CE2 3.31Å; N1410-F1428 HydrophobicContact CB-CZ 4.23Å; N1410-F1428 WeakPolarHBondContact ND2-CE2 3.43Å; N1410-F1428 WeakPolarHBondContact ND2-CZ 3.33Å; N1410-C1442 HydrophobicContact CB-CB 3.63Å; N1410-C1442 PolarHBondContact O-SG 3.38Å; N1410-C1442 VanDerWaalsContact O-SG 3.35Å
1411	A	60.9	Low	60.2	Low	4 Å²	4	60.8 Å²	60.8	3%	0.033	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	155.3	170.5	0	0	0	0	0	110.8	D1408 G1409 C1422 T1423 K1425 G1439	D1408-A1411 HydrophobicContact CB-CB 3.92Å; D1408-A1411 CarbonylContact O-C 3.59Å; D1408-A1411 PolarHBondContact O-N 3.06Å; G1409-A1411 PolarHBondContact O-N 3.37Å; A1411-C1422 HydrophobicContact CB-CB 4.33Å; A1411-T1423 CarbonylContact C-O 3.41Å; A1411-T1423 WeakPolarHBondContact CA-O 3.49Å; A1411-T1423 WeakPolarHBondContact CB-O 3.37Å; A1411-K1425 PolarHBondContact O-NZ 3.37Å; A1411-G1439 VanDerWaalsContact CB-C 3.45Å; A1411-G1439 WeakPolarHBondContact CB-O 3.41Å
1412	D	71.5	Confident	61.1	Low	40 Å²	40	58 Å²	58	21%	0.214	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	131.5	172	-79.4	-28.5	0	0	0	111	S1414 C1422 T1423 K1425 I1987	D1412-S1414 PolarHBondContact O-N 2.81Å; D1412-C1422 WeakPolarHBondContact O-CA 3.49Å; D1412-T1423 PolarHBondContact N-O 3.46Å; D1412-T1423 PolarHBondContact O-N 2.69Å; D1412-T1423 VanDerWaalsContact O-N 3.08Å; D1412-K1425 WeakPolarHBondContact OD1-CE 3.49Å; D1412-K1425 IonicContact OD1-NZ 2.8Å; D1412-K1425 PolarHBondContact OD1-NZ 3.03Å; D1412-I1987 VanDerWaalsContact OD2-CG2 3.26Å; D1412-I1987 WeakPolarHBondContact OD2-CG2 3.04Å
1413	C	71.7	Confident	61.6	Low	34 Å²	34	57.9 Å²	57.9	23%	0.23	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	110.2	167.6	-170.4	0	0	0	0	108.9	C1400 H1405	C1400-C1413 HydrophobicContact CB-CB 3.95Å; C1400-C1413 WeakPolarHBondContact CB-SG 3.29Å; C1400-C1413 WeakPolarHBondContact SG-CB 3.5Å; C1400-C1413 PolarHBondContact SG-O 2.82Å; C1400-C1413 VanDerWaalsContact SG-O 3.39Å; C1400-C1413 CovalentContact SG-SG 2.05Å; C1400-C1413 PolarHBondContact SG-SG 3.29Å; H1405-C1413 WeakPolarHBondContact CB-SG 3.44Å; H1405-C1413 PolarHBondContact ND1-SG 3.42Å
1414	S	65	Low	62.2	Low	52 Å²	52	50.5 Å²	50.5	36%	0.364	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	130.4	164.4	62.4	0	0	0	0	108.7	D1412 T1416 F1420 V1421	D1412-S1414 PolarHBondContact O-N 2.81Å; S1414-T1416 PolarHBondContact O-N 3.11Å; S1414-F1420 CarbonylContact O-C 3.42Å; S1414-F1420 WeakPolarHBondContact O-CA 3.38Å; S1414-F1420 WeakPolarHBondContact O-CB 3.47Å; S1414-V1421 PolarHBondContact N-O 3.27Å; S1414-V1421 PolarHBondContact O-N 2.72Å; S1414-V1421 PolarHBondContact OG-O 3.38Å
1415	N	52.5	Low	62.3	Low	59 Å²	59	43.9 Å²	43.9	32%	0.316	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	131.7	165.6	-72.5	-66.6	0	0	0	108.1	D1398 K1399 C1400	D1398-N1415 VanDerWaalsContact CG-ND2 3.27Å; D1398-N1415 PolarHBondContact OD1-ND2 3.35Å; K1399-N1415 WeakPolarHBondContact CA-OD1 3.4Å; K1399-N1415 PolarHBondContact N-OD1 2.72Å; C1400-N1415 PolarHBondContact N-OD1 3.35Å; C1400-N1415 PolarHBondContact SG-N 3.48Å; C1400-N1415 VanDerWaalsContact SG-N 3.42Å
1416	T	52.8	Low	62.4	Low	48 Å²	48	46.3 Å²	46.3	29%	0.294	28%	0.275	S	S	.	.			trans	-104.5	162.7	161.2	54.1	0	0	0	0	108.6	S1414 T1418 S1419 V1421	S1414-T1416 PolarHBondContact O-N 3.11Å; T1416-T1418 PolarHBondContact O-N 2.85Å; T1416-S1419 PolarHBondContact N-O 3.24Å; T1416-S1419 VanDerWaalsContact N-O 3.15Å; T1416-S1419 PolarHBondContact O-N 3.39Å; T1416-S1419 PolarHBondContact OG1-OG 2.83Å; T1416-V1421 HydrophobicContact CG2-CB 3.93Å; T1416-V1421 HydrophobicContact CG2-CG2 3.49Å; T1416-V1421 VanDerWaalsContact CG2-CG2 3.49Å
1417	D	46.2	Very low	61.5	Low	76 Å²	76	44.3 Å²	44.3	41%	0.406	27%	0.272	S	S	.	.	S	Bend	trans	-57.3	-18.3	-169.3	-69.5	-5.9	0	0	0	114.8	T1380 I1382	T1380-D1417 VanDerWaalsContact CB-CB 3.42Å; T1380-D1417 WeakPolarHBondContact CB-OD2 3.5Å; T1380-D1417 HydrophobicContact CG2-CB 4.27Å; T1380-D1417 WeakPolarHBondContact OG1-CB 3.47Å; T1380-D1417 PolarHBondContact OG1-O 3.47Å; I1382-D1417 HydrophobicContact CG2-CB 4.2Å; I1382-D1417 WeakPolarHBondContact CG2-O 3.48Å
1418	T	44.3	Very low	60.7	Low	55 Å²	55	44.3 Å²	44.3	34%	0.337	27%	0.269	S	S	.	.	S	Bend	trans	-111.1	-29.7	171.6	-21.4	0	0	0	0	114.5	I1382 K1399 T1416	I1382-T1418 HydrophobicContact CB-CG2 3.84Å; I1382-T1418 WeakPolarHBondContact CB-OG1 3.48Å; I1382-T1418 HydrophobicContact CD1-CG2 3.84Å; I1382-T1418 HydrophobicContact CG1-CG2 4.48Å; I1382-T1418 HydrophobicContact CG2-CG2 3.88Å; I1382-T1418 WeakPolarHBondContact CG2-OG1 3.34Å; K1399-T1418 PolarHBondContact NZ-O 3.5Å; T1416-T1418 PolarHBondContact O-N 2.85Å
1419	S	51.5	Low	60.5	Low	44 Å²	44	43.3 Å²	43.3	31%	0.308	26%	0.264	S	S	.	.	S	Bend	trans	-151.1	-141.9	-158.9	61.8	0	0	0	0	111.1	T1416	T1416-S1419 PolarHBondContact N-O 3.24Å; T1416-S1419 VanDerWaalsContact N-O 3.15Å; T1416-S1419 PolarHBondContact O-N 3.39Å; T1416-S1419 PolarHBondContact OG1-OG 2.83Å
1420	F	62.7	Low	60.4	Low	38 Å²	38	43.2 Å²	43.2	17%	0.167	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	149.9	167	55	-88.7	0	0	0	106.9	K1399 M1404 H1405 D1406 S1414	K1399-F1420 HydrophobicContact CB-CD1 4.29Å; K1399-F1420 HydrophobicContact CD-CD1 4.47Å; M1404-F1420 WeakPolarHBondContact O-CD1 3.36Å; M1404-F1420 WeakPolarHBondContact O-CE1 3.46Å; H1405-F1420 HydrophobicContact CB-CB 4.49Å; H1405-F1420 HydrophobicContact CB-CD1 3.81Å; H1405-F1420 HydrophobicContact CB-CD2 3.64Å; H1405-F1420 HydrophobicContact CB-CE1 3.96Å; H1405-F1420 HydrophobicContact CB-CE2 3.78Å; H1405-F1420 HydrophobicContact CB-CG 3.67Å; H1405-F1420 HydrophobicContact CB-CZ 3.96Å; D1406-F1420 WeakPolarHBondContact OD1-CE2 3.08Å; D1406-F1420 WeakPolarHBondContact OD1-CZ 3.38Å; S1414-F1420 CarbonylContact O-C 3.42Å; S1414-F1420 WeakPolarHBondContact O-CA 3.38Å; S1414-F1420 WeakPolarHBondContact O-CB 3.47Å
1421	V	69.5	Low	60.2	Low	59 Å²	59	46.8 Å²	46.8	36%	0.358	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	129.1	172	170.9	0	0	0	0	107.3	S1414 T1416 T1423	S1414-V1421 PolarHBondContact N-O 3.27Å; S1414-V1421 PolarHBondContact O-N 2.72Å; S1414-V1421 PolarHBondContact OG-O 3.38Å; T1416-V1421 HydrophobicContact CG2-CB 3.93Å; T1416-V1421 HydrophobicContact CG2-CG2 3.49Å; T1416-V1421 VanDerWaalsContact CG2-CG2 3.49Å; V1421-T1423 HydrophobicContact CG1-CG2 4.05Å
1422	C	72	Confident	60.4	Low	4 Å²	4	47.1 Å²	47.1	3%	0.027	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	138.8	171.3	-43.6	0	0	0	0	107.9	C1407 A1411 D1412 P1438 G1439	C1407-C1422 WeakPolarHBondContact CA-SG 3.5Å; C1407-C1422 HydrophobicContact CB-CB 3.53Å; C1407-C1422 WeakPolarHBondContact CB-SG 3.45Å; C1407-C1422 WeakPolarHBondContact SG-CB 3.41Å; C1407-C1422 CovalentContact SG-SG 2.03Å; C1407-C1422 PolarHBondContact SG-SG 2.87Å; A1411-C1422 HydrophobicContact CB-CB 4.33Å; D1412-C1422 WeakPolarHBondContact O-CA 3.49Å; C1422-P1438 CarbonylContact C-O 3.36Å; C1422-P1438 VanDerWaalsContact CB-O 3.32Å; C1422-P1438 WeakPolarHBondContact CB-O 3.3Å; C1422-P1438 CarbonylContact O-C 3.46Å; C1422-G1439 WeakPolarHBondContact CB-O 3.16Å
1423	T	66.5	Low	59.4	Low	58 Å²	58	50.7 Å²	50.7	36%	0.356	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	125.7	175.3	53.1	0	0	0	0	110.3	A1411 D1412 V1421	A1411-T1423 CarbonylContact C-O 3.41Å; A1411-T1423 WeakPolarHBondContact CA-O 3.49Å; A1411-T1423 WeakPolarHBondContact CB-O 3.37Å; D1412-T1423 PolarHBondContact N-O 3.46Å; D1412-T1423 PolarHBondContact O-N 2.69Å; D1412-T1423 VanDerWaalsContact O-N 3.08Å; V1421-T1423 HydrophobicContact CG1-CG2 4.05Å
1424	C	67.7	Low	58.2	Low	27 Å²	27	49.9 Å²	49.9	18%	0.182	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.9	145.4	174.8	-70.9	0	0	0	0	111.8	F1428 D1430 C1442	C1424-F1428 HydrophobicContact CB-CB 4.4Å; C1424-D1430 HydrophobicContact CB-CB 4.3Å; C1424-D1430 WeakPolarHBondContact SG-CA 3.09Å; C1424-D1430 VanDerWaalsContact SG-CB 3.56Å; C1424-D1430 PolarHBondContact SG-OD1 2.55Å; C1424-C1442 WeakPolarHBondContact CA-SG 3.29Å; C1424-C1442 HydrophobicContact CB-CB 3.75Å; C1424-C1442 WeakPolarHBondContact CB-SG 3.12Å; C1424-C1442 WeakPolarHBondContact SG-CB 3.25Å; C1424-C1442 CovalentContact SG-SG 2.03Å; C1424-C1442 PolarHBondContact SG-SG 3.23Å
1425	K	56.2	Low	57.6	Low	4 Å²	4	52 Å²	52	2%	0.017	30%	0.295	C	S	.	.	P	Polyproline II helix	trans	-78.4	142.6	-168.8	-78.2	-176.7	159.2	91.5	0	112.6	G1409 N1410 A1411 D1412 G1427 F1428 D1982 V1984 I1987	G1409-K1425 PolarHBondContact O-NZ 3.36Å; N1410-K1425 VanDerWaalsContact O-CB 3.31Å; N1410-K1425 WeakPolarHBondContact O-CB 2.92Å; N1410-K1425 WeakPolarHBondContact O-CG 3.19Å; N1410-K1425 PolarHBondContact O-N 2.73Å; N1410-K1425 VanDerWaalsContact O-N 3.13Å; A1411-K1425 PolarHBondContact O-NZ 3.37Å; D1412-K1425 WeakPolarHBondContact OD1-CE 3.49Å; D1412-K1425 IonicContact OD1-NZ 2.8Å; D1412-K1425 PolarHBondContact OD1-NZ 3.03Å; K1425-G1427 PolarHBondContact O-N 3.26Å; K1425-G1427 VanDerWaalsContact O-N 3.1Å; K1425-F1428 HydrophobicContact CB-CD2 4.14Å; K1425-F1428 WeakPolarHBondContact O-CA 3.36Å; K1425-F1428 WeakPolarHBondContact O-CB 3.33Å; K1425-F1428 PolarHBondContact O-N 2.95Å; K1425-D1982 WeakPolarHBondContact CD-O 3.49Å; K1425-V1984 VanDerWaalsContact CE-CA 3.43Å; K1425-I1987 HydrophobicContact CB-CD1 3.33Å; K1425-I1987 HydrophobicContact CD-CD1 3.89Å; K1425-I1987 HydrophobicContact CG-CD1 3.52Å
1426	E	59.1	Low	57.6	Low	124 Å²	124	51.6 Å²	51.6	58%	0.579	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.8	117.7	-174.6	-88.8	-157.4	141.7	0	0	112.7	A1933	E1426-A1933 HydrophobicContact CG-CB 4.42Å
1427	G	50.3	Low	58.1	Low	35 Å²	35	52.9 Å²	52.9	36%	0.361	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	113.7	-29.3	-172.1	0	0	0	0	0	112.2	K1425 K1444 L1445	K1425-G1427 PolarHBondContact O-N 3.26Å; K1425-G1427 VanDerWaalsContact O-N 3.1Å; G1427-K1444 WeakPolarHBondContact O-CA 3.46Å; G1427-K1444 WeakPolarHBondContact O-CG 3.4Å; G1427-L1445 PolarHBondContact O-N 3.26Å; G1427-L1445 VanDerWaalsContact O-N 3.11Å
1428	F	55.3	Low	58.6	Low	30 Å²	30	51.3 Å²	51.3	13%	0.132	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	139.3	163.7	-65.9	-40.2	0	0	0	112.1	N1410 C1424 K1425 C1442 V1443 K1444 D1982	N1410-F1428 HydrophobicContact CB-CD2 3.7Å; N1410-F1428 HydrophobicContact CB-CE2 3.31Å; N1410-F1428 HydrophobicContact CB-CZ 4.23Å; N1410-F1428 WeakPolarHBondContact ND2-CE2 3.43Å; N1410-F1428 WeakPolarHBondContact ND2-CZ 3.33Å; C1424-F1428 HydrophobicContact CB-CB 4.4Å; K1425-F1428 HydrophobicContact CB-CD2 4.14Å; K1425-F1428 WeakPolarHBondContact O-CA 3.36Å; K1425-F1428 WeakPolarHBondContact O-CB 3.33Å; K1425-F1428 PolarHBondContact O-N 2.95Å; F1428-C1442 HydrophobicContact CB-CB 3.85Å; F1428-C1442 HydrophobicContact CD2-CB 3.8Å; F1428-C1442 HydrophobicContact CE2-CB 4.49Å; F1428-C1442 HydrophobicContact CG-CB 4.01Å; F1428-V1443 CarbonylContact C-O 3.41Å; F1428-V1443 WeakPolarHBondContact CA-O 3.15Å; F1428-K1444 HydrophobicContact CD1-CB 3.67Å; F1428-K1444 HydrophobicContact CD1-CG 3.9Å; F1428-K1444 HydrophobicContact CE1-CB 3.83Å; F1428-K1444 HydrophobicContact CE1-CG 4.21Å; F1428-D1982 WeakPolarHBondContact CD1-OD1 3.44Å; F1428-D1982 HydrophobicContact CD2-CB 3.99Å; F1428-D1982 HydrophobicContact CE1-CB 4.01Å; F1428-D1982 HydrophobicContact CE2-CB 3.2Å; F1428-D1982 VanDerWaalsContact CE2-CG 3.46Å; F1428-D1982 HydrophobicContact CZ-CB 3.28Å
1429	V	63.2	Low	59.6	Low	14 Å²	14	48.7 Å²	48.7	9%	0.085	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	157.7	154.6	-84.5	0	0	0	0	110.5	R1431 C1442 V1443 L1445	V1429-R1431 HydrophobicContact CG2-CG 4.33Å; V1429-C1442 CarbonylContact O-C 3.38Å; V1429-C1442 VanDerWaalsContact O-CA 3.28Å; V1429-C1442 WeakPolarHBondContact O-CA 3.35Å; V1429-V1443 HydrophobicContact CG2-CG2 3.95Å; V1429-V1443 VanDerWaalsContact CG2-O 3.28Å; V1429-V1443 WeakPolarHBondContact CG2-O 3.35Å; V1429-V1443 PolarHBondContact N-O 3.05Å; V1429-V1443 PolarHBondContact O-N 2.76Å; V1429-L1445 HydrophobicContact CB-CD1 4.48Å; V1429-L1445 HydrophobicContact CB-CD2 4.17Å; V1429-L1445 HydrophobicContact CB-CG 4.48Å; V1429-L1445 HydrophobicContact CG1-CD1 3.49Å; V1429-L1445 VanDerWaalsContact CG1-CD1 3.49Å; V1429-L1445 HydrophobicContact CG1-CD2 3.8Å; V1429-L1445 HydrophobicContact CG1-CG 3.94Å; V1429-L1445 HydrophobicContact CG2-CD2 3.42Å; V1429-L1445 VanDerWaalsContact CG2-CD2 3.42Å; V1429-L1445 HydrophobicContact CG2-CG 4.1Å
1430	D	62.1	Low	60.6	Low	44 Å²	44	49.7 Å²	49.7	24%	0.235	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	123.4	162.5	-170.7	64.9	0	0	0	110.7	C1424 S1432 P1438 G1439	C1424-D1430 HydrophobicContact CB-CB 4.3Å; C1424-D1430 WeakPolarHBondContact SG-CA 3.09Å; C1424-D1430 VanDerWaalsContact SG-CB 3.56Å; C1424-D1430 PolarHBondContact SG-OD1 2.55Å; D1430-S1432 VanDerWaalsContact CG-OG 3.29Å; D1430-S1432 WeakPolarHBondContact OD1-CB 3.48Å; D1430-S1432 PolarHBondContact OD1-OG 2.98Å; D1430-S1432 VanDerWaalsContact OD2-CB 3.25Å; D1430-S1432 WeakPolarHBondContact OD2-CB 3.07Å; D1430-S1432 PolarHBondContact OD2-N 2.91Å; D1430-S1432 PolarHBondContact OD2-OG 3.35Å; D1430-P1438 HydrophobicContact CB-CB 4.08Å; D1430-P1438 VanDerWaalsContact CG-CA 3.49Å; D1430-P1438 WeakPolarHBondContact OD1-CA 3.28Å; D1430-P1438 WeakPolarHBondContact OD2-CA 3.38Å; D1430-P1438 WeakPolarHBondContact OD2-CB 3.22Å; D1430-G1439 PolarHBondContact OD1-N 2.03Å
1431	R	63.5	Low	61.1	Low	134 Å²	134	53.4 Å²	53.4	51%	0.506	28%	0.284	S	S	.	.			trans	-121.6	36.4	162.7	-66.7	-164.3	-173.4	171.2	-0.4	110.1	V1429 F1441 V1443 D1467	V1429-R1431 HydrophobicContact CG2-CG 4.33Å; R1431-F1441 CarbonylContact C-O 3.27Å; R1431-F1441 HydrophobicContact CB-CD1 4.24Å; R1431-F1441 PolarHBondContact N-O 3.19Å; R1431-F1441 WeakPolarHBondContact O-CD1 3.43Å; R1431-V1443 HydrophobicContact CB-CG2 4.25Å; R1431-V1443 HydrophobicContact CG-CG2 3.78Å; R1431-D1467 IonicContact CZ-OD1 3.18Å; R1431-D1467 IonicContact NE-OD1 3.11Å; R1431-D1467 PolarHBondContact NE-OD1 3.45Å; R1431-D1467 VanDerWaalsContact NE-OD1 3.11Å; R1431-D1467 IonicContact NH2-OD1 2.66Å; R1431-D1467 PolarHBondContact NH2-OD1 2.74Å
1432	S	65.3	Low	60.9	Low	11 Å²	11	50.8 Å²	50.8	8%	0.077	27%	0.268	C	S	.	.			trans	-56.7	134.8	168.1	-62.7	0	0	0	0	108.5	D1430 N1434 R1440 F1441	D1430-S1432 VanDerWaalsContact CG-OG 3.29Å; D1430-S1432 WeakPolarHBondContact OD1-CB 3.48Å; D1430-S1432 PolarHBondContact OD1-OG 2.98Å; D1430-S1432 VanDerWaalsContact OD2-CB 3.25Å; D1430-S1432 WeakPolarHBondContact OD2-CB 3.07Å; D1430-S1432 PolarHBondContact OD2-N 2.91Å; D1430-S1432 PolarHBondContact OD2-OG 3.35Å; S1432-N1434 PolarHBondContact O-N 2.88Å; S1432-R1440 WeakPolarHBondContact OG-CA 3.17Å; S1432-R1440 WeakPolarHBondContact OG-CB 3.28Å; S1432-R1440 PolarHBondContact OG-N 3.34Å; S1432-F1441 PolarHBondContact N-O 2.81Å; S1432-F1441 PolarHBondContact OG-N 2.03Å
1433	P	50.9	Low	60.3	Low	115 Å²	115	52.7 Å²	52.7	75%	0.747	28%	0.279	S	S	*	.	S	Bend	trans	-66	24.5	175.2	-23.9	35.2	0	0	0	115.2
1434	N	45.6	Very low	59.7	Low	17 Å²	17	54.6 Å²	54.6	9%	0.091	28%	0.283	C	S	.	.	S	Bend	trans	-162.6	90	-171.7	-113.6	-2	0	0	0	108.2	K918 S1432 N1436 R1437 P1908 V1909	K918-N1434 PolarHBondContact NZ-OD1 3.32Å; S1432-N1434 PolarHBondContact O-N 2.88Å; N1434-N1436 PolarHBondContact O-N 3.05Å; N1434-R1437 CarbonylContact O-C 3.56Å; N1434-R1437 PolarHBondContact O-N 2.03Å; N1434-P1908 VanDerWaalsContact ND2-C 3.35Å; N1434-P1908 PolarHBondContact ND2-O 2.78Å; N1434-V1909 VanDerWaalsContact ND2-CA 3.35Å; N1434-V1909 WeakPolarHBondContact ND2-CA 3.37Å; N1434-V1909 WeakPolarHBondContact OD1-CA 3.49Å
1435	P	53	Low	58.8	Low	96 Å²	96	55.6 Å²	55.6	62%	0.623	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-7.6	-167.3	21	-31.6	0	0	0	115.4
1436	N	52.3	Low	58.7	Low	51 Å²	51	59.4 Å²	59.4	27%	0.273	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.9	1.8	-176.2	-55.5	-66.3	0	0	0	113.1	N1434 T1910 V1911	N1434-N1436 PolarHBondContact O-N 3.05Å; N1436-T1910 VanDerWaalsContact CB-C 3.41Å; N1436-T1910 VanDerWaalsContact CB-CB 3.44Å; N1436-T1910 WeakPolarHBondContact CB-OG1 3.18Å; N1436-T1910 PolarHBondContact ND2-O 3.06Å; N1436-T1910 PolarHBondContact O-OG1 2.67Å; N1436-V1911 VanDerWaalsContact CG-CA 3.48Å; N1436-V1911 VanDerWaalsContact CG-N 3.35Å; N1436-V1911 VanDerWaalsContact CG-O 3.27Å; N1436-V1911 VanDerWaalsContact ND2-C 3.32Å; N1436-V1911 WeakPolarHBondContact ND2-CA 3.09Å; N1436-V1911 PolarHBondContact ND2-N 2.94Å; N1436-V1911 PolarHBondContact OD1-O 3.43Å; N1436-V1911 VanDerWaalsContact OD1-O 3.06Å
1437	R	63.2	Low	58.5	Low	75 Å²	75	56.1 Å²	56.1	28%	0.283	30%	0.296	S	S	.	.	S	Bend	trans	-119.1	60.6	155.6	-83.1	-175.9	164	-140.2	-0.4	109	D1406 N1434 R1440	D1406-R1437 IonicContact OD1-NH1 2.72Å; D1406-R1437 IonicContact OD2-NH1 3.46Å; D1406-R1437 PolarHBondContact OD2-NH1 2.83Å; N1434-R1437 CarbonylContact O-C 3.56Å; N1434-R1437 PolarHBondContact O-N 2.03Å; R1437-R1440 VanDerWaalsContact NH1-CZ 3.32Å; R1437-R1440 VanDerWaalsContact NH1-NH2 3.1Å; R1437-R1440 VanDerWaalsContact O-CD 3.29Å; R1437-R1440 WeakPolarHBondContact O-CD 3.46Å; R1437-R1440 WeakPolarHBondContact O-CG 3.41Å
1438	P	56.8	Low	59	Low	42 Å²	42	56.2 Å²	56.2	27%	0.273	29%	0.287	S	S	.	.			trans	-62.9	168.6	179.6	31.2	-37.9	0	0	0	110.9	C1422 D1430	C1422-P1438 CarbonylContact C-O 3.36Å; C1422-P1438 VanDerWaalsContact CB-O 3.32Å; C1422-P1438 WeakPolarHBondContact CB-O 3.3Å; C1422-P1438 CarbonylContact O-C 3.46Å; D1430-P1438 HydrophobicContact CB-CB 4.08Å; D1430-P1438 VanDerWaalsContact CG-CA 3.49Å; D1430-P1438 WeakPolarHBondContact OD1-CA 3.28Å; D1430-P1438 WeakPolarHBondContact OD2-CA 3.38Å; D1430-P1438 WeakPolarHBondContact OD2-CB 3.22Å
1439	G	65	Low	59.3	Low	0 Å²	0	56.4 Å²	56.4	0%	0	29%	0.292	C	S	.	.	S	Bend	trans	75.9	33.4	-176.5	0	0	0	0	0	113.7	D1408 A1411 C1422 D1430	D1408-G1439 PolarHBondContact N-O 3.42Å; A1411-G1439 VanDerWaalsContact CB-C 3.45Å; A1411-G1439 WeakPolarHBondContact CB-O 3.41Å; C1422-G1439 WeakPolarHBondContact CB-O 3.16Å; D1430-G1439 PolarHBondContact OD1-N 2.03Å
1440	R	72.6	Confident	59	Low	65 Å²	65	64.3 Å²	64.3	25%	0.245	33%	0.328	C	S	.	.	S	Bend	trans	-126.4	-11.8	178	-62.4	-179.6	179.8	-121.3	-12.5	114.2	D1406 S1432 R1437	D1406-R1440 PolarHBondContact O-NE 3.13Å; D1406-R1440 PolarHBondContact O-NH1 2.8Å; D1406-R1440 PolarHBondContact O-NH2 3.11Å; D1406-R1440 IonicContact OD1-CZ 3.67Å; D1406-R1440 IonicContact OD1-NH1 3.04Å; D1406-R1440 PolarHBondContact OD1-NH1 3.1Å; D1406-R1440 IonicContact OD1-NH2 3.49Å; D1406-R1440 PolarHBondContact OD1-NH2 3.1Å; D1406-R1440 IonicContact OD2-CZ 3.32Å; D1406-R1440 IonicContact OD2-NH1 3.49Å; D1406-R1440 PolarHBondContact OD2-NH1 3.48Å; D1406-R1440 IonicContact OD2-NH2 2.72Å; D1406-R1440 PolarHBondContact OD2-NH2 3.04Å; S1432-R1440 WeakPolarHBondContact OG-CA 3.17Å; S1432-R1440 WeakPolarHBondContact OG-CB 3.28Å; S1432-R1440 PolarHBondContact OG-N 3.34Å; R1437-R1440 VanDerWaalsContact NH1-CZ 3.32Å; R1437-R1440 VanDerWaalsContact NH1-NH2 3.1Å; R1437-R1440 VanDerWaalsContact O-CD 3.29Å; R1437-R1440 WeakPolarHBondContact O-CD 3.46Å; R1437-R1440 WeakPolarHBondContact O-CG 3.41Å
1441	F	72.1	Confident	58.7	Low	116 Å²	116	67.6 Å²	67.6	51%	0.509	35%	0.345	S	S	.	.	S	Bend	trans	-153.7	112.5	166.9	-162.4	-107.1	0	0	0	108.4	D1408 R1431 S1432 V1443	D1408-F1441 WeakPolarHBondContact OD2-CA 3.47Å; R1431-F1441 CarbonylContact C-O 3.27Å; R1431-F1441 HydrophobicContact CB-CD1 4.24Å; R1431-F1441 PolarHBondContact N-O 3.19Å; R1431-F1441 WeakPolarHBondContact O-CD1 3.43Å; S1432-F1441 PolarHBondContact N-O 2.81Å; S1432-F1441 PolarHBondContact OG-N 2.03Å; F1441-V1443 HydrophobicContact CD1-CG1 4.32Å; F1441-V1443 HydrophobicContact CE1-CG1 4.04Å
1442	C	65.8	Low	58.2	Low	5 Å²	5	64.4 Å²	64.4	3%	0.034	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	127.8	-169.9	-53.1	0	0	0	0	113.2	D1408 N1410 C1424 F1428 V1429	D1408-C1442 PolarHBondContact OD2-N 3.21Å; D1408-C1442 VanDerWaalsContact OD2-N 3.11Å; N1410-C1442 HydrophobicContact CB-CB 3.63Å; N1410-C1442 PolarHBondContact O-SG 3.38Å; N1410-C1442 VanDerWaalsContact O-SG 3.35Å; C1424-C1442 WeakPolarHBondContact CA-SG 3.29Å; C1424-C1442 HydrophobicContact CB-CB 3.75Å; C1424-C1442 WeakPolarHBondContact CB-SG 3.12Å; C1424-C1442 WeakPolarHBondContact SG-CB 3.25Å; C1424-C1442 CovalentContact SG-SG 2.03Å; C1424-C1442 PolarHBondContact SG-SG 3.23Å; F1428-C1442 HydrophobicContact CB-CB 3.85Å; F1428-C1442 HydrophobicContact CD2-CB 3.8Å; F1428-C1442 HydrophobicContact CE2-CB 4.49Å; F1428-C1442 HydrophobicContact CG-CB 4.01Å; V1429-C1442 CarbonylContact O-C 3.38Å; V1429-C1442 VanDerWaalsContact O-CA 3.28Å; V1429-C1442 WeakPolarHBondContact O-CA 3.35Å
1443	V	59.6	Low	57.4	Low	43 Å²	43	66.8 Å²	66.8	26%	0.261	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	152.7	-172.4	-56.1	0	0	0	0	113.4	F1428 V1429 R1431 F1441	F1428-V1443 CarbonylContact C-O 3.41Å; F1428-V1443 WeakPolarHBondContact CA-O 3.15Å; V1429-V1443 HydrophobicContact CG2-CG2 3.95Å; V1429-V1443 VanDerWaalsContact CG2-O 3.28Å; V1429-V1443 WeakPolarHBondContact CG2-O 3.35Å; V1429-V1443 PolarHBondContact N-O 3.05Å; V1429-V1443 PolarHBondContact O-N 2.76Å; R1431-V1443 HydrophobicContact CB-CG2 4.25Å; R1431-V1443 HydrophobicContact CG-CG2 3.78Å; F1441-V1443 HydrophobicContact CD1-CG1 4.32Å; F1441-V1443 HydrophobicContact CE1-CG1 4.04Å
1444	K	53.7	Low	57.6	Low	99 Å²	99	62.3 Å²	62.3	43%	0.43	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	147.5	-160.6	-143.8	-169	-175.4	74.6	0	115.3	G1427 F1428 D1982	G1427-K1444 WeakPolarHBondContact O-CA 3.46Å; G1427-K1444 WeakPolarHBondContact O-CG 3.4Å; F1428-K1444 HydrophobicContact CD1-CB 3.67Å; F1428-K1444 HydrophobicContact CD1-CG 3.9Å; F1428-K1444 HydrophobicContact CE1-CB 3.83Å; F1428-K1444 HydrophobicContact CE1-CG 4.21Å; K1444-D1982 IonicContact NZ-OD1 3.65Å; K1444-D1982 PolarHBondContact NZ-OD1 3.03Å; K1444-D1982 IonicContact NZ-OD2 2.69Å; K1444-D1982 PolarHBondContact NZ-OD2 3Å
1445	L	49.9	Very low	58.5	Low	47 Å²	47	67.1 Å²	67.1	25%	0.246	37%	0.365	C	S	.	.			trans	-99.1	150.2	-177.7	-56.6	178.8	0	0	0	113.8	G1427 V1429 Q1466	G1427-L1445 PolarHBondContact O-N 3.26Å; G1427-L1445 VanDerWaalsContact O-N 3.11Å; V1429-L1445 HydrophobicContact CB-CD1 4.48Å; V1429-L1445 HydrophobicContact CB-CD2 4.17Å; V1429-L1445 HydrophobicContact CB-CG 4.48Å; V1429-L1445 HydrophobicContact CG1-CD1 3.49Å; V1429-L1445 VanDerWaalsContact CG1-CD1 3.49Å; V1429-L1445 HydrophobicContact CG1-CD2 3.8Å; V1429-L1445 HydrophobicContact CG1-CG 3.94Å; V1429-L1445 HydrophobicContact CG2-CD2 3.42Å; V1429-L1445 VanDerWaalsContact CG2-CD2 3.42Å; V1429-L1445 HydrophobicContact CG2-CG 4.1Å; L1445-Q1466 WeakPolarHBondContact CB-O 3.49Å; L1445-Q1466 HydrophobicContact CD1-CB 3.97Å; L1445-Q1466 HydrophobicContact CD1-CG 3.82Å; L1445-Q1466 WeakPolarHBondContact CD1-O 2.99Å; L1445-Q1466 WeakPolarHBondContact CD2-O 3.28Å; L1445-Q1466 WeakPolarHBondContact CG-O 3.36Å
1446	V	52.2	Low	59	Low	84 Å²	84	64.1 Å²	64.1	51%	0.509	35%	0.346	S	S	.	.			trans	-130.9	154.3	178.9	175.6	0	0	0	0	108	E1448	V1446-E1448 HydrophobicContact CG1-CG 4.23Å
1447	N	55.4	Low	59.7	Low	55 Å²	55	63.5 Å²	63.5	29%	0.294	35%	0.346	S	S	.	.			trans	-110	100.1	171.8	176.3	-48.3	0	0	0	109.5	C1449 E1450 D1464	N1447-C1449 PolarHBondContact OD1-N 3.45Å; N1447-E1450 PolarHBondContact OD1-N 3.02Å; N1447-D1464 WeakPolarHBondContact CA-OD1 3.21Å; N1447-D1464 WeakPolarHBondContact CB-OD1 3.49Å; N1447-D1464 WeakPolarHBondContact CB-OD2 3.25Å; N1447-D1464 PolarHBondContact ND2-OD1 2.68Å; N1447-D1464 PolarHBondContact ND2-OD2 3.12Å; N1447-D1464 PolarHBondContact OD1-OD1 3.12Å
1448	E	61.4	Low	59.9	Low	38 Å²	38	65.1 Å²	65.1	18%	0.178	37%	0.366	C	S	.	.	H	α-helix	trans	-82.7	-16	-179.1	-59.7	83.4	179.9	0	0	113	V1446 G1452 S1453 A1454 G1468 Y1469	V1446-E1448 HydrophobicContact CG1-CG 4.23Å; E1448-G1452 PolarHBondContact O-N 3.15Å; E1448-G1452 VanDerWaalsContact O-N 3.13Å; E1448-S1453 WeakPolarHBondContact CA-OG 3.14Å; E1448-S1453 VanDerWaalsContact CB-OG 3.27Å; E1448-S1453 WeakPolarHBondContact CB-OG 3.37Å; E1448-S1453 WeakPolarHBondContact CG-OG 3.45Å; E1448-S1453 PolarHBondContact O-N 2.87Å; E1448-A1454 HydrophobicContact CB-CB 3.97Å; E1448-A1454 VanDerWaalsContact O-CB 3.26Å; E1448-A1454 WeakPolarHBondContact O-CB 3.48Å; E1448-A1454 PolarHBondContact O-N 2.88Å; E1448-G1468 WeakPolarHBondContact OE2-CA 3.35Å; E1448-Y1469 HydrophobicContact CB-CD1 3.43Å; E1448-Y1469 VanDerWaalsContact CB-CD1 3.43Å; E1448-Y1469 HydrophobicContact CB-CE1 3.94Å; E1448-Y1469 HydrophobicContact CB-CG 3.97Å; E1448-Y1469 HydrophobicContact CG-CD1 3.69Å; E1448-Y1469 HydrophobicContact CG-CE1 4.03Å; E1448-Y1469 WeakPolarHBondContact OE2-CD1 3.18Å; E1448-Y1469 PolarHBondContact OE2-N 2.89Å
1449	C	62.6	Low	60.2	Low	34 Å²	34	65.4 Å²	65.4	23%	0.23	37%	0.365	C	S	.	.	H	α-helix	trans	-68.9	-39.2	179.8	-75.9	0	0	0	0	113.3	N1447 C1462 R1463 D1464	N1447-C1449 PolarHBondContact OD1-N 3.45Å; C1449-C1462 WeakPolarHBondContact CA-SG 2.9Å; C1449-C1462 HydrophobicContact CB-CB 3.92Å; C1449-C1462 WeakPolarHBondContact CB-SG 3.36Å; C1449-C1462 WeakPolarHBondContact SG-CB 3.5Å; C1449-C1462 CovalentContact SG-SG 2.04Å; C1449-C1462 PolarHBondContact SG-SG 2.75Å; C1449-R1463 VanDerWaalsContact SG-C 3.51Å; C1449-R1463 PolarHBondContact SG-N 2.71Å; C1449-D1464 HydrophobicContact CB-CB 4.42Å; C1449-D1464 PolarHBondContact SG-N 2.74Å; C1449-D1464 VanDerWaalsContact SG-N 3.36Å
1450	E	55.7	Low	60.4	Low	179 Å²	179	66.2 Å²	66.2	84%	0.836	37%	0.372	S	S	*	.	H	α-helix	trans	-82.5	-33.2	174.6	-76.6	-159.7	117	0	0	112.7	N1447 G1452	N1447-E1450 PolarHBondContact OD1-N 3.02Å; E1450-G1452 PolarHBondContact O-N 3.03Å
1451	D	55.7	Low	60.3	Low	114 Å²	114	67.1 Å²	67.1	61%	0.61	38%	0.382	S	S	*	.	H	α-helix	trans	-78.6	-7.5	-179.7	-126.9	3	0	0	0	112.8	S1453 K2223	D1451-S1453 PolarHBondContact O-N 2.91Å; D1451-K2223 IonicContact OD2-NZ 2.94Å
1452	G	53.8	Low	60.4	Low	66 Å²	66	63.9 Å²	63.9	68%	0.68	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.8	10.3	175.9	0	0	0	0	0	114.6	E1448 E1450 A1454	E1448-G1452 PolarHBondContact O-N 3.15Å; E1448-G1452 VanDerWaalsContact O-N 3.13Å; E1450-G1452 PolarHBondContact O-N 3.03Å; G1452-A1454 VanDerWaalsContact C-N 3.32Å
1453	S	48.3	Very low	60.2	Low	62 Å²	62	69.8 Å²	69.8	43%	0.434	39%	0.394	S	S	.	.			trans	-79.5	-14.8	169.5	44.2	0	0	0	0	112.6	E1448 D1451 Q1455	E1448-S1453 WeakPolarHBondContact CA-OG 3.14Å; E1448-S1453 VanDerWaalsContact CB-OG 3.27Å; E1448-S1453 WeakPolarHBondContact CB-OG 3.37Å; E1448-S1453 WeakPolarHBondContact CG-OG 3.45Å; E1448-S1453 PolarHBondContact O-N 2.87Å; D1451-S1453 PolarHBondContact O-N 2.91Å; S1453-Q1455 PolarHBondContact O-N 2.91Å
1454	A	55.2	Low	59.8	Low	20 Å²	20	71 Å²	71	17%	0.165	40%	0.399	C	S	.	.			trans	-65.3	111.5	174.4	0	0	0	0	0	112.2	E1448 G1452 C1456 C1462 Y1469	E1448-A1454 HydrophobicContact CB-CB 3.97Å; E1448-A1454 VanDerWaalsContact O-CB 3.26Å; E1448-A1454 WeakPolarHBondContact O-CB 3.48Å; E1448-A1454 PolarHBondContact O-N 2.88Å; G1452-A1454 VanDerWaalsContact C-N 3.32Å; A1454-C1456 PolarHBondContact O-N 2.02Å; A1454-C1462 WeakPolarHBondContact CB-SG 3.2Å; A1454-Y1469 VanDerWaalsContact CA-CE2 3.48Å; A1454-Y1469 HydrophobicContact CB-CD1 4.21Å; A1454-Y1469 HydrophobicContact CB-CD2 3.39Å; A1454-Y1469 HydrophobicContact CB-CE1 4.43Å; A1454-Y1469 HydrophobicContact CB-CE2 3.69Å; A1454-Y1469 HydrophobicContact CB-CG 3.64Å
1455	Q	64.5	Low	59.7	Low	118 Å²	118	70.4 Å²	70.4	55%	0.551	40%	0.4	S	S	*	.			trans	-85.3	51.9	-178.3	-65.6	177.5	-7.2	0	0	112.3	S1453 Y1469 R1489	S1453-Q1455 PolarHBondContact O-N 2.91Å; Q1455-Y1469 VanDerWaalsContact N-CE2 3.3Å; Q1455-Y1469 PolarHBondContact N-OH 3.46Å; Q1455-R1489 VanDerWaalsContact CB-NH1 3.34Å; Q1455-R1489 WeakPolarHBondContact O-CA 3.06Å; Q1455-R1489 WeakPolarHBondContact O-CB 3.17Å; Q1455-R1489 WeakPolarHBondContact O-CG 3.34Å
1456	C	63.9	Low	59.7	Low	34 Å²	34	74.6 Å²	74.6	23%	0.23	42%	0.419	C	S	.	.			trans	-63.8	147.9	165.5	-52.7	0	0	0	0	110.4	A1454 A1460 C1462 C1471	A1454-C1456 PolarHBondContact O-N 2.02Å; C1456-A1460 HydrophobicContact CB-CB 3.93Å; C1456-C1462 WeakPolarHBondContact SG-CB 3.34Å; C1456-C1462 PolarHBondContact SG-SG 3.09Å; C1456-C1471 WeakPolarHBondContact CA-SG 3.47Å; C1456-C1471 HydrophobicContact CB-CB 3.75Å; C1456-C1471 WeakPolarHBondContact CB-SG 3.46Å; C1456-C1471 WeakPolarHBondContact SG-CB 3.47Å; C1456-C1471 CovalentContact SG-SG 2.03Å; C1456-C1471 PolarHBondContact SG-SG 3.46Å
1457	S	65.4	Low	59.5	Low	38 Å²	38	74.6 Å²	74.6	27%	0.266	42%	0.416	S	S	.	.			trans	-72.8	-176.8	165	-103	0	0	0	0	111.3	A1460 G1488 R1489 L2593	S1457-A1460 WeakPolarHBondContact O-CB 3.37Å; S1457-G1488 PolarHBondContact N-O 3.34Å; S1457-G1488 VanDerWaalsContact N-O 3.17Å; S1457-R1489 WeakPolarHBondContact CB-O 3.04Å; S1457-R1489 PolarHBondContact N-O 2.85Å; S1457-R1489 PolarHBondContact OG-O 3.07Å; S1457-L2593 WeakPolarHBondContact CB-O 3.14Å; S1457-L2593 VanDerWaalsContact O-CD2 3.32Å; S1457-L2593 WeakPolarHBondContact O-CD2 3.36Å
1458	P	68.3	Low	59.6	Low	109 Å²	109	72.3 Å²	72.3	71%	0.708	41%	0.405	S	S	*	.	S	Bend	trans	-75.1	-45.4	-165.1	-24.2	36.4	0	0	0	118.3	A1460	P1458-A1460 PolarHBondContact O-N 3.37Å
1459	N	64.2	Low	59.6	Low	48 Å²	48	71.1 Å²	71.1	26%	0.257	40%	0.399	S	S	.	.	S	Bend	trans	-89	54.7	-171.3	-48.4	17.4	0	0	0	110.5	K1474 L2593 M2594	N1459-K1474 WeakPolarHBondContact O-CB 3.45Å; N1459-K1474 WeakPolarHBondContact O-CD 3.38Å; N1459-K1474 VanDerWaalsContact O-CG 3.31Å; N1459-K1474 WeakPolarHBondContact O-CG 3.15Å; N1459-L2593 WeakPolarHBondContact O-CA 2.99Å; N1459-L2593 PolarHBondContact O-N 2.8Å; N1459-M2594 HydrophobicContact CB-CB 4.21Å; N1459-M2594 VanDerWaalsContact CG-CB 3.41Å; N1459-M2594 WeakPolarHBondContact ND2-CB 3.18Å
1460	A	68.7	Low	59.7	Low	17 Å²	17	69.9 Å²	69.9	14%	0.14	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	154.1	-159.5	0	0	0	0	0	113	C1456 S1457 P1458 K1474 L2593	C1456-A1460 HydrophobicContact CB-CB 3.93Å; S1457-A1460 WeakPolarHBondContact O-CB 3.37Å; P1458-A1460 PolarHBondContact O-N 3.37Å; A1460-K1474 PolarHBondContact O-NZ 2.91Å; A1460-L2593 VanDerWaalsContact CA-CG 3.49Å; A1460-L2593 HydrophobicContact CB-CD1 3.37Å; A1460-L2593 HydrophobicContact CB-CD2 3.56Å; A1460-L2593 HydrophobicContact CB-CG 3.37Å
1461	D	70.5	Confident	60.4	Low	84 Å²	84	61.4 Å²	61.4	45%	0.449	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	107.5	153.3	-64.2	-61.4	0	0	0	108.4	R1463 E1472 K1474	D1461-R1463 PolarHBondContact O-N 3.14Å; D1461-E1472 PolarHBondContact N-O 2.72Å; D1461-E1472 VanDerWaalsContact N-O 3.11Å; D1461-E1472 PolarHBondContact O-N 2.78Å; D1461-K1474 IonicContact OD1-NZ 2.77Å; D1461-K1474 PolarHBondContact OD1-NZ 2.82Å; D1461-K1474 WeakPolarHBondContact OD2-CG 3.22Å; D1461-K1474 IonicContact OD2-NZ 3.49Å; D1461-K1474 PolarHBondContact OD2-NZ 3.45Å
1462	C	73.8	Confident	60.8	Low	47 Å²	47	59.3 Å²	59.3	32%	0.318	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.8	128.5	167.1	-162.3	0	0	0	0	108.3	C1449 A1454 C1456	C1449-C1462 WeakPolarHBondContact CA-SG 2.9Å; C1449-C1462 HydrophobicContact CB-CB 3.92Å; C1449-C1462 WeakPolarHBondContact CB-SG 3.36Å; C1449-C1462 WeakPolarHBondContact SG-CB 3.5Å; C1449-C1462 CovalentContact SG-SG 2.04Å; C1449-C1462 PolarHBondContact SG-SG 2.75Å; A1454-C1462 WeakPolarHBondContact CB-SG 3.2Å; C1456-C1462 WeakPolarHBondContact SG-CB 3.34Å; C1456-C1462 PolarHBondContact SG-SG 3.09Å
1463	R	60.6	Low	61.5	Low	129 Å²	129	57.1 Å²	57.1	49%	0.487	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	114.1	174.2	-75.3	-154.8	-172.9	165.5	9	109.1	C1449 D1461 L1465 T1470 E1472	C1449-R1463 VanDerWaalsContact SG-C 3.51Å; C1449-R1463 PolarHBondContact SG-N 2.71Å; D1461-R1463 PolarHBondContact O-N 3.14Å; R1463-L1465 PolarHBondContact O-N 3.06Å; R1463-L1465 VanDerWaalsContact O-N 3.17Å; R1463-T1470 CarbonylContact C-O 2.73Å; R1463-T1470 HydrophobicContact CB-CG2 3.82Å; R1463-T1470 PolarHBondContact N-O 3.35Å; R1463-T1470 CarbonylContact O-C 3.46Å; R1463-T1470 WeakPolarHBondContact O-CA 3.36Å; R1463-T1470 WeakPolarHBondContact O-CG2 3.44Å; R1463-T1470 PolarHBondContact O-N 2.87Å; R1463-E1472 VanDerWaalsContact CD-OE1 3.29Å; R1463-E1472 WeakPolarHBondContact CD-OE1 3.01Å; R1463-E1472 IonicContact CZ-OE1 3.51Å; R1463-E1472 IonicContact CZ-OE2 3Å; R1463-E1472 IonicContact NE-OE1 2.89Å; R1463-E1472 PolarHBondContact NE-OE1 3.09Å; R1463-E1472 IonicContact NE-OE2 2.92Å; R1463-E1472 PolarHBondContact NE-OE2 2.79Å; R1463-E1472 IonicContact NH1-OE1 3.77Å; R1463-E1472 PolarHBondContact NH1-OE1 2.75Å; R1463-E1472 IonicContact NH1-OE2 3.65Å; R1463-E1472 PolarHBondContact NH1-OE2 2.97Å; R1463-E1472 IonicContact NH2-OE1 3.46Å; R1463-E1472 IonicContact NH2-OE2 3.28Å; R1463-E1472 PolarHBondContact NH2-OE2 3.16Å
1464	D	52.7	Low	62.2	Low	68 Å²	68	57.7 Å²	57.7	36%	0.364	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.5	118	171	-154.3	57.9	0	0	0	109.2	N1447 C1449	N1447-D1464 WeakPolarHBondContact CA-OD1 3.21Å; N1447-D1464 WeakPolarHBondContact CB-OD1 3.49Å; N1447-D1464 WeakPolarHBondContact CB-OD2 3.25Å; N1447-D1464 PolarHBondContact ND2-OD1 2.68Å; N1447-D1464 PolarHBondContact ND2-OD2 3.12Å; N1447-D1464 PolarHBondContact OD1-OD1 3.12Å; C1449-D1464 HydrophobicContact CB-CB 4.42Å; C1449-D1464 PolarHBondContact SG-N 2.74Å; C1449-D1464 VanDerWaalsContact SG-N 3.36Å
1465	L	51.9	Low	62.4	Low	87 Å²	87	64.4 Å²	64.4	46%	0.455	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	172.8	165.6	-54.7	-175.5	0	0	0	108.6	R1463 G1468 T1470	R1463-L1465 PolarHBondContact O-N 3.06Å; R1463-L1465 VanDerWaalsContact O-N 3.17Å; L1465-G1468 CarbonylContact C-O 3.05Å; L1465-G1468 WeakPolarHBondContact CA-O 3.27Å; L1465-G1468 VanDerWaalsContact CB-O 3.26Å; L1465-G1468 WeakPolarHBondContact CB-O 2.99Å; L1465-G1468 PolarHBondContact N-O 3.28Å; L1465-G1468 PolarHBondContact O-N 3.05Å; L1465-T1470 HydrophobicContact CD1-CG2 3.76Å; L1465-T1470 HydrophobicContact CD2-CG2 3.73Å; L1465-T1470 HydrophobicContact CG-CG2 3.57Å
1466	Q	48.1	Very low	61.7	Low	136 Å²	136	61.5 Å²	61.5	64%	0.636	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-50.6	173.2	-111.8	163	-86.2	0	0	110.5	L1445 G1468	L1445-Q1466 WeakPolarHBondContact CB-O 3.49Å; L1445-Q1466 HydrophobicContact CD1-CB 3.97Å; L1445-Q1466 HydrophobicContact CD1-CG 3.82Å; L1445-Q1466 WeakPolarHBondContact CD1-O 2.99Å; L1445-Q1466 WeakPolarHBondContact CD2-O 3.28Å; L1445-Q1466 WeakPolarHBondContact CG-O 3.36Å; Q1466-G1468 PolarHBondContact O-N 3.44Å
1467	D	50	Low	61.3	Low	84 Å²	84	61.4 Å²	61.4	45%	0.449	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.9	34.9	177.7	-86.6	-89.2	0	0	0	115.6	R1431	R1431-D1467 IonicContact CZ-OD1 3.18Å; R1431-D1467 IonicContact NE-OD1 3.11Å; R1431-D1467 PolarHBondContact NE-OD1 3.45Å; R1431-D1467 VanDerWaalsContact NE-OD1 3.11Å; R1431-D1467 IonicContact NH2-OD1 2.66Å; R1431-D1467 PolarHBondContact NH2-OD1 2.74Å
1468	G	56.6	Low	61.2	Low	7 Å²	7	63.9 Å²	63.9	7%	0.072	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	87.2	-178.6	-174.3	0	0	0	0	0	112.7	E1448 L1465 Q1466	E1448-G1468 WeakPolarHBondContact OE2-CA 3.35Å; L1465-G1468 CarbonylContact C-O 3.05Å; L1465-G1468 WeakPolarHBondContact CA-O 3.27Å; L1465-G1468 VanDerWaalsContact CB-O 3.26Å; L1465-G1468 WeakPolarHBondContact CB-O 2.99Å; L1465-G1468 PolarHBondContact N-O 3.28Å; L1465-G1468 PolarHBondContact O-N 3.05Å; Q1466-G1468 PolarHBondContact O-N 3.44Å
1469	Y	61.3	Low	60.6	Low	13 Å²	13	61.1 Å²	61.1	5%	0.051	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.1	137.9	-176.2	76.9	-71.9	0	0	0	115	E1448 A1454 Q1455 Q1486 R1489	E1448-Y1469 HydrophobicContact CB-CD1 3.43Å; E1448-Y1469 VanDerWaalsContact CB-CD1 3.43Å; E1448-Y1469 HydrophobicContact CB-CE1 3.94Å; E1448-Y1469 HydrophobicContact CB-CG 3.97Å; E1448-Y1469 HydrophobicContact CG-CD1 3.69Å; E1448-Y1469 HydrophobicContact CG-CE1 4.03Å; E1448-Y1469 WeakPolarHBondContact OE2-CD1 3.18Å; E1448-Y1469 PolarHBondContact OE2-N 2.89Å; A1454-Y1469 VanDerWaalsContact CA-CE2 3.48Å; A1454-Y1469 HydrophobicContact CB-CD1 4.21Å; A1454-Y1469 HydrophobicContact CB-CD2 3.39Å; A1454-Y1469 HydrophobicContact CB-CE1 4.43Å; A1454-Y1469 HydrophobicContact CB-CE2 3.69Å; A1454-Y1469 HydrophobicContact CB-CG 3.64Å; Q1455-Y1469 VanDerWaalsContact N-CE2 3.3Å; Q1455-Y1469 PolarHBondContact N-OH 3.46Å; Y1469-Q1486 VanDerWaalsContact CE1-NE2 3.27Å; Y1469-R1489 PolarHBondContact OH-NH2 2.72Å
1470	T	64.4	Low	60.6	Low	8 Å²	8	61.9 Å²	61.9	5%	0.049	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	175.9	148	-161.7	0	0	0	0	110.1	R1463 L1465 P1487	R1463-T1470 CarbonylContact C-O 2.73Å; R1463-T1470 HydrophobicContact CB-CG2 3.82Å; R1463-T1470 PolarHBondContact N-O 3.35Å; R1463-T1470 CarbonylContact O-C 3.46Å; R1463-T1470 WeakPolarHBondContact O-CA 3.36Å; R1463-T1470 WeakPolarHBondContact O-CG2 3.44Å; R1463-T1470 PolarHBondContact O-N 2.87Å; L1465-T1470 HydrophobicContact CD1-CG2 3.76Å; L1465-T1470 HydrophobicContact CD2-CG2 3.73Å; L1465-T1470 HydrophobicContact CG-CG2 3.57Å; T1470-P1487 WeakPolarHBondContact OG1-CB 3.42Å; T1470-P1487 WeakPolarHBondContact OG1-CD 3.22Å; T1470-P1487 WeakPolarHBondContact OG1-CG 3.13Å
1471	C	71.5	Confident	60.3	Low	0 Å²	0	61.3 Å²	61.3	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	131.2	165.4	-46.7	0	0	0	0	107.6	C1456 P1487 G1488 L2593	C1456-C1471 WeakPolarHBondContact CA-SG 3.47Å; C1456-C1471 HydrophobicContact CB-CB 3.75Å; C1456-C1471 WeakPolarHBondContact CB-SG 3.46Å; C1456-C1471 WeakPolarHBondContact SG-CB 3.47Å; C1456-C1471 CovalentContact SG-SG 2.03Å; C1456-C1471 PolarHBondContact SG-SG 3.46Å; C1471-P1487 WeakPolarHBondContact CB-O 3.25Å; C1471-P1487 PolarHBondContact N-O 3.44Å; C1471-P1487 CarbonylContact O-C 3.38Å; C1471-P1487 WeakPolarHBondContact O-CB 3.5Å; C1471-P1487 VanDerWaalsContact O-O 3.12Å; C1471-G1488 WeakPolarHBondContact O-CA 3.47Å; C1471-G1488 PolarHBondContact O-N 2.8Å; C1471-L2593 HydrophobicContact CB-CD1 4.3Å
1472	E	63.7	Low	59.4	Low	70 Å²	70	61.3 Å²	61.3	33%	0.327	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	131.4	172	-75	179.8	-154.5	0	0	109.8	D1461 R1463	D1461-E1472 PolarHBondContact N-O 2.72Å; D1461-E1472 VanDerWaalsContact N-O 3.11Å; D1461-E1472 PolarHBondContact O-N 2.78Å; R1463-E1472 VanDerWaalsContact CD-OE1 3.29Å; R1463-E1472 WeakPolarHBondContact CD-OE1 3.01Å; R1463-E1472 IonicContact CZ-OE1 3.51Å; R1463-E1472 IonicContact CZ-OE2 3Å; R1463-E1472 IonicContact NE-OE1 2.89Å; R1463-E1472 PolarHBondContact NE-OE1 3.09Å; R1463-E1472 IonicContact NE-OE2 2.92Å; R1463-E1472 PolarHBondContact NE-OE2 2.79Å; R1463-E1472 IonicContact NH1-OE1 3.77Å; R1463-E1472 PolarHBondContact NH1-OE1 2.75Å; R1463-E1472 IonicContact NH1-OE2 3.65Å; R1463-E1472 PolarHBondContact NH1-OE2 2.97Å; R1463-E1472 IonicContact NH2-OE1 3.46Å; R1463-E1472 IonicContact NH2-OE2 3.28Å; R1463-E1472 PolarHBondContact NH2-OE2 3.16Å
1473	C	68.8	Low	58.3	Low	20 Å²	20	62.8 Å²	62.8	14%	0.135	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	137.3	172.1	-37.9	0	0	0	0	110.2	F1477 I1478 D1479 C1491 L2593	C1473-F1477 WeakPolarHBondContact CB-O 3.02Å; C1473-I1478 PolarHBondContact SG-O 3.01Å; C1473-D1479 PolarHBondContact SG-OD1 3.33Å; C1473-D1479 PolarHBondContact SG-OD2 3.06Å; C1473-C1491 HydrophobicContact CB-CB 4.26Å; C1473-C1491 WeakPolarHBondContact CB-SG 3.49Å; C1473-C1491 WeakPolarHBondContact SG-CB 3.16Å; C1473-C1491 CovalentContact SG-SG 2.09Å; C1473-C1491 PolarHBondContact SG-SG 2.89Å; C1473-L2593 HydrophobicContact CB-CB 3.7Å; C1473-L2593 HydrophobicContact CB-CD1 4.07Å; C1473-L2593 HydrophobicContact CB-CG 4.4Å
1474	K	61.2	Low	57.7	Low	75 Å²	75	60.9 Å²	60.9	33%	0.326	34%	0.337	S	S	.	.	P	Polyproline II helix	trans	-63.3	158.8	176.2	-78.5	176.2	161.9	49.4	0	111.6	N1459 A1460 D1461 F1477	N1459-K1474 WeakPolarHBondContact O-CB 3.45Å; N1459-K1474 WeakPolarHBondContact O-CD 3.38Å; N1459-K1474 VanDerWaalsContact O-CG 3.31Å; N1459-K1474 WeakPolarHBondContact O-CG 3.15Å; A1460-K1474 PolarHBondContact O-NZ 2.91Å; D1461-K1474 IonicContact OD1-NZ 2.77Å; D1461-K1474 PolarHBondContact OD1-NZ 2.82Å; D1461-K1474 WeakPolarHBondContact OD2-CG 3.22Å; D1461-K1474 IonicContact OD2-NZ 3.49Å; D1461-K1474 PolarHBondContact OD2-NZ 3.45Å; K1474-F1477 HydrophobicContact CB-CE2 4.01Å; K1474-F1477 WeakPolarHBondContact O-CD2 3.5Å
1475	D	61	Low	57.7	Low	160 Å²	160	63.9 Å²	63.9	86%	0.856	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	141	-175	-69.2	-60.8	0	0	0	116.3	F1477	D1475-F1477 VanDerWaalsContact C-N 3.35Å; D1475-F1477 WeakPolarHBondContact O-CD2 3.3Å; D1475-F1477 WeakPolarHBondContact O-CE2 3.44Å
1476	G	48.5	Very low	57.9	Low	57 Å²	57	62 Å²	62	59%	0.588	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	90.6	-0.9	177.6	0	0	0	0	0	114.3
1477	F	56	Low	58.4	Low	32 Å²	32	57.2 Å²	57.2	14%	0.14	32%	0.318	C	S	.	.	S	Bend	trans	-151.5	130.5	179.5	35.4	-162.2	0	0	0	106.4	C1473 K1474 D1475 A2591 G2592 P2595	C1473-F1477 WeakPolarHBondContact CB-O 3.02Å; K1474-F1477 HydrophobicContact CB-CE2 4.01Å; K1474-F1477 WeakPolarHBondContact O-CD2 3.5Å; D1475-F1477 VanDerWaalsContact C-N 3.35Å; D1475-F1477 WeakPolarHBondContact O-CD2 3.3Å; D1475-F1477 WeakPolarHBondContact O-CE2 3.44Å; F1477-A2591 VanDerWaalsContact C-C 3.41Å; F1477-A2591 CarbonylContact C-O 3.24Å; F1477-A2591 WeakPolarHBondContact CA-O 3.49Å; F1477-A2591 WeakPolarHBondContact CB-O 3.44Å; F1477-G2592 VanDerWaalsContact C-N 3.33Å; F1477-G2592 CarbonylContact C-O 3.39Å; F1477-G2592 WeakPolarHBondContact CA-O 3.28Å; F1477-G2592 VanDerWaalsContact CB-C 3.45Å; F1477-G2592 VanDerWaalsContact CB-CA 3.48Å; F1477-G2592 WeakPolarHBondContact CB-O 3.27Å; F1477-G2592 WeakPolarHBondContact CD2-O 3.32Å; F1477-G2592 WeakPolarHBondContact CG-O 3.49Å; F1477-P2595 HydrophobicContact CB-CB 2.98Å; F1477-P2595 HydrophobicContact CB-CG 3.42Å; F1477-P2595 VanDerWaalsContact CB-CG 3.42Å; F1477-P2595 HydrophobicContact CD1-CB 2.31Å; F1477-P2595 HydrophobicContact CD1-CG 2.14Å; F1477-P2595 VanDerWaalsContact CD1-O 3.28Å; F1477-P2595 WeakPolarHBondContact CD1-O 3.48Å; F1477-P2595 HydrophobicContact CD2-CB 3.58Å; F1477-P2595 HydrophobicContact CD2-CG 2.43Å; F1477-P2595 HydrophobicContact CE1-CB 3.53Å; F1477-P2595 HydrophobicContact CE1-CG 2.47Å; F1477-P2595 HydrophobicContact CE2-CB 4.23Å; F1477-P2595 HydrophobicContact CE2-CG 2.55Å; F1477-P2595 HydrophobicContact CG-CB 2.36Å; F1477-P2595 HydrophobicContact CG-CG 2.15Å; F1477-P2595 HydrophobicContact CZ-CB 4.21Å; F1477-P2595 HydrophobicContact CZ-CG 2.56Å
1478	I	62.7	Low	59	Low	91 Å²	91	53.2 Å²	53.2	47%	0.467	30%	0.297	S	S	.	.	B	Isolated β-bridge	trans	-129	-170	-163.5	70.9	179.5	0	0	0	118.7	C1473 C1491 H2590 A2591 G2592	C1473-I1478 PolarHBondContact SG-O 3.01Å; I1478-C1491 VanDerWaalsContact O-CB 3.31Å; I1478-C1491 WeakPolarHBondContact O-CB 3.47Å; I1478-H2590 WeakPolarHBondContact CG1-O 3.37Å; I1478-H2590 CarbonylContact O-C 3.58Å; I1478-H2590 PolarHBondContact O-ND1 2.78Å; I1478-A2591 PolarHBondContact N-O 2.88Å; I1478-A2591 CarbonylContact O-C 3.09Å; I1478-A2591 WeakPolarHBondContact O-CA 3.06Å; I1478-A2591 PolarHBondContact O-N 2.95Å; I1478-A2591 VanDerWaalsContact O-N 3.14Å; I1478-G2592 PolarHBondContact O-N 3.43Å
1479	D	57.2	Low	59.7	Low	51 Å²	51	56.2 Å²	56.2	27%	0.273	31%	0.306	S	S	.	.			trans	-103	134.6	-165.6	-78.8	-75.1	0	0	0	117.5	C1473 P1487 G1488 V2589 H2590	C1473-D1479 PolarHBondContact SG-OD1 3.33Å; C1473-D1479 PolarHBondContact SG-OD2 3.06Å; D1479-P1487 HydrophobicContact CB-CB 4.46Å; D1479-P1487 WeakPolarHBondContact OD1-CB 3.39Å; D1479-G1488 VanDerWaalsContact OD1-CA 3.28Å; D1479-G1488 WeakPolarHBondContact OD1-CA 3.34Å; D1479-G1488 PolarHBondContact OD1-N 2.96Å; D1479-V2589 CarbonylContact C-O 3.5Å; D1479-V2589 VanDerWaalsContact C-O 3.26Å; D1479-V2589 CarbonylContact O-C 2.98Å; D1479-H2590 VanDerWaalsContact C-CA 3.48Å; D1479-H2590 VanDerWaalsContact C-ND1 3.34Å; D1479-H2590 WeakPolarHBondContact O-CA 3Å; D1479-H2590 PolarHBondContact O-N 3.18Å
1480	Q	63	Low	59.9	Low	64 Å²	64	59.6 Å²	59.6	30%	0.299	32%	0.324	S	S	.	.				-102	-108.5	91.3	51.4	110.7	-5	0	0	117.9	G1488 V2589 H2590	Q1480-G1488 PolarHBondContact O-N 2.81Å; Q1480-V2589 WeakPolarHBondContact CA-O 3.35Å; Q1480-V2589 HydrophobicContact CB-CG1 4.03Å; Q1480-V2589 WeakPolarHBondContact CB-O 3.42Å; Q1480-V2589 HydrophobicContact CG-CG1 4.08Å; Q1480-V2589 WeakPolarHBondContact CG-O 3.36Å; Q1480-V2589 PolarHBondContact N-O 2.96Å; Q1480-H2590 HydrophobicContact CG-CB 4.12Å; Q1480-H2590 PolarHBondContact N-CE1 2.97Å; Q1480-H2590 PolarHBondContact N-ND1 2.75Å
1481	S	61.8	Low	59.9	Low	4 Å²	4	59.4 Å²	59.4	3%	0.028	32%	0.323	C	S	.	.			trans	86.1	133.1	-136.8	-52.7	0	0	0	0	111.3	V1483 G1488 R1489 I1490 H2590	S1481-V1483 PolarHBondContact O-N 2.99Å; S1481-G1488 PolarHBondContact OG-N 3.3Å; S1481-R1489 WeakPolarHBondContact OG-CA 3.38Å; S1481-R1489 PolarHBondContact OG-N 3.4Å; S1481-I1490 PolarHBondContact OG-N 2.97Å; S1481-I1490 PolarHBondContact OG-O 3.01Å; S1481-H2590 PolarHBondContact N-CE1 2.78Å; S1481-H2590 PolarHBondContact N-NE2 2.72Å
1482	P	52.5	Low	59.3	Low	84 Å²	84	60 Å²	60	55%	0.545	33%	0.327	S	S	.	.	S	Bend	trans	-63.7	-5	-160	-26	35.1	0	0	0	117.5	R882	R882-P1482 PolarHBondContact NH2-O 3.44Å
1483	V	51.1	Low	58.7	Low	78 Å²	78	58.7 Å²	58.7	47%	0.473	32%	0.32	S	S	.	.	S	Bend	trans	-126.7	117.1	-175.6	-174.8	0	0	0	0	109.1	S1481 H1485 Q1486	S1481-V1483 PolarHBondContact O-N 2.99Å; V1483-H1485 PolarHBondContact O-N 3.08Å; V1483-Q1486 CarbonylContact O-C 3.49Å; V1483-Q1486 PolarHBondContact O-N 2.93Å; V1483-Q1486 VanDerWaalsContact O-N 3.13Å
1484	T	48.6	Very low	57.9	Low	89 Å²	89	58.8 Å²	58.8	55%	0.546	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-11.4	-173.5	29.2	0	0	0	0	115.7	R882	R882-T1484 PolarHBondContact NH1-OG1 3.34Å
1485	H	52.3	Low	57.2	Low	131 Å²	131	56.4 Å²	56.4	61%	0.606	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.2	-6.7	-176.4	-44.4	-80.7	0	0	0	112.8	V1483 P1487	V1483-H1485 PolarHBondContact O-N 3.08Å; H1485-P1487 VanDerWaalsContact C-CD 3.43Å
1486	Q	56.3	Low	56.7	Low	49 Å²	49	49.7 Å²	49.7	23%	0.229	28%	0.275	C	S	.	.	S	Bend	trans	-131.5	71.1	165.2	-66.3	-166.9	-20.9	0	0	111	Y1469 V1483 R1489	Y1469-Q1486 VanDerWaalsContact CE1-NE2 3.27Å; V1483-Q1486 CarbonylContact O-C 3.49Å; V1483-Q1486 PolarHBondContact O-N 2.93Å; V1483-Q1486 VanDerWaalsContact O-N 3.13Å; Q1486-R1489 HydrophobicContact CB-CG 4.32Å; Q1486-R1489 WeakPolarHBondContact O-CD 3.31Å
1487	P	57.7	Low	56.8	Low	35 Å²	35	47.3 Å²	47.3	23%	0.227	25%	0.25	C	C	.	.	T	Hydrogen-bonded Turn	trans	-42.5	153.7	161.9	-29	31.6	0	0	0	114	T1470 C1471 D1479 H1485 R1489	T1470-P1487 WeakPolarHBondContact OG1-CB 3.42Å; T1470-P1487 WeakPolarHBondContact OG1-CD 3.22Å; T1470-P1487 WeakPolarHBondContact OG1-CG 3.13Å; C1471-P1487 WeakPolarHBondContact CB-O 3.25Å; C1471-P1487 PolarHBondContact N-O 3.44Å; C1471-P1487 CarbonylContact O-C 3.38Å; C1471-P1487 WeakPolarHBondContact O-CB 3.5Å; C1471-P1487 VanDerWaalsContact O-O 3.12Å; D1479-P1487 HydrophobicContact CB-CB 4.46Å; D1479-P1487 WeakPolarHBondContact OD1-CB 3.39Å; H1485-P1487 VanDerWaalsContact C-CD 3.43Å; P1487-R1489 PolarHBondContact O-N 3.02Å
1488	G	63.5	Low	56.5	Low	0 Å²	0	47 Å²	47	0%	0	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	77.1	4.8	166.2	0	0	0	0	0	119.6	S1457 C1471 D1479 Q1480 S1481 I1490 C1491 L2593	S1457-G1488 PolarHBondContact N-O 3.34Å; S1457-G1488 VanDerWaalsContact N-O 3.17Å; C1471-G1488 WeakPolarHBondContact O-CA 3.47Å; C1471-G1488 PolarHBondContact O-N 2.8Å; D1479-G1488 VanDerWaalsContact OD1-CA 3.28Å; D1479-G1488 WeakPolarHBondContact OD1-CA 3.34Å; D1479-G1488 PolarHBondContact OD1-N 2.96Å; Q1480-G1488 PolarHBondContact O-N 2.81Å; S1481-G1488 PolarHBondContact OG-N 3.3Å; G1488-I1490 VanDerWaalsContact C-N 3.33Å; G1488-I1490 PolarHBondContact O-N 2.85Å; G1488-C1491 VanDerWaalsContact CA-SG 3.54Å; G1488-L2593 WeakPolarHBondContact O-CD1 3.47Å; G1488-L2593 WeakPolarHBondContact O-CD2 3.37Å
1489	R	70.3	Confident	55.8	Low	69 Å²	69	45 Å²	45	26%	0.26	25%	0.246	S	C	.	.	S	Bend	trans	-67.7	-30.3	175.7	-59.9	171.7	123.1	-86.1	14	113.8	Q1455 S1457 Y1469 S1481 Q1486 P1487	Q1455-R1489 VanDerWaalsContact CB-NH1 3.34Å; Q1455-R1489 WeakPolarHBondContact O-CA 3.06Å; Q1455-R1489 WeakPolarHBondContact O-CB 3.17Å; Q1455-R1489 WeakPolarHBondContact O-CG 3.34Å; S1457-R1489 WeakPolarHBondContact CB-O 3.04Å; S1457-R1489 PolarHBondContact N-O 2.85Å; S1457-R1489 PolarHBondContact OG-O 3.07Å; Y1469-R1489 PolarHBondContact OH-NH2 2.72Å; S1481-R1489 WeakPolarHBondContact OG-CA 3.38Å; S1481-R1489 PolarHBondContact OG-N 3.4Å; Q1486-R1489 HydrophobicContact CB-CG 4.32Å; Q1486-R1489 WeakPolarHBondContact O-CD 3.31Å; P1487-R1489 PolarHBondContact O-N 3.02Å
1490	I	66.7	Low	55.4	Low	84 Å²	84	48.5 Å²	48.5	43%	0.431	26%	0.264	S	S	.	.	S	Bend	trans	-127.8	140.8	165.3	-56.8	173.1	0	0	0	104.3	S1481 G1488 H2590	S1481-I1490 PolarHBondContact OG-N 2.97Å; S1481-I1490 PolarHBondContact OG-O 3.01Å; G1488-I1490 VanDerWaalsContact C-N 3.33Å; G1488-I1490 PolarHBondContact O-N 2.85Å; I1490-H2590 PolarHBondContact O-CE1 2.96Å; I1490-H2590 PolarHBondContact O-NE2 2.67Å
1491	C	64.5	Low	55.1	Low	5 Å²	5	46.6 Å²	46.6	3%	0.034	26%	0.255	C	S	.	.			trans	-150.4	165.7	148.6	-24.8	0	0	0	0	111.8	C1473 I1478 G1488 H2590 L2593 M2594	C1473-C1491 HydrophobicContact CB-CB 4.26Å; C1473-C1491 WeakPolarHBondContact CB-SG 3.49Å; C1473-C1491 WeakPolarHBondContact SG-CB 3.16Å; C1473-C1491 CovalentContact SG-SG 2.09Å; C1473-C1491 PolarHBondContact SG-SG 2.89Å; I1478-C1491 VanDerWaalsContact O-CB 3.31Å; I1478-C1491 WeakPolarHBondContact O-CB 3.47Å; G1488-C1491 VanDerWaalsContact CA-SG 3.54Å; C1491-H2590 WeakPolarHBondContact CA-CE1 3.21Å; C1491-H2590 VanDerWaalsContact CB-CE1 3.43Å; C1491-H2590 WeakPolarHBondContact CB-CE1 3.09Å; C1491-H2590 WeakPolarHBondContact CB-ND1 3.42Å; C1491-L2593 CarbonylContact C-O 3.27Å; C1491-L2593 HydrophobicContact CB-CB 3.4Å; C1491-L2593 VanDerWaalsContact CB-CB 3.4Å; C1491-L2593 PolarHBondContact N-O 3.49Å; C1491-L2593 CarbonylContact O-C 3.59Å; C1491-L2593 WeakPolarHBondContact SG-CB 3.03Å; C1491-M2594 PolarHBondContact O-N 2.76Å
1492	S	58.4	Low	55.1	Low	11 Å²	11	49.6 Å²	49.6	8%	0.077	27%	0.271	C	S	.	.			trans	-158.3	41.5	-165.6	68.9	0	0	0	0	125.7	A2591 M2594 G2596 R2597 S2598	S1492-A2591 VanDerWaalsContact N-CA 3.35Å; S1492-A2591 VanDerWaalsContact OG-CB 3.29Å; S1492-A2591 WeakPolarHBondContact OG-CB 3.48Å; S1492-M2594 CarbonylContact C-O 3.33Å; S1492-M2594 VanDerWaalsContact C-O 3.23Å; S1492-M2594 WeakPolarHBondContact CA-O 3.02Å; S1492-M2594 PolarHBondContact N-O 3.37Å; S1492-G2596 CarbonylContact O-C 3.4Å; S1492-G2596 PolarHBondContact O-N 2.72Å; S1492-R2597 WeakPolarHBondContact CB-O 3.35Å; S1492-R2597 CarbonylContact O-C 3.07Å; S1492-R2597 WeakPolarHBondContact O-CA 3.11Å; S1492-R2597 PolarHBondContact O-N 2.86Å; S1492-R2597 PolarHBondContact OG-O 2.53Å; S1492-S2598 PolarHBondContact O-N 3.27Å; S1492-S2598 VanDerWaalsContact O-O 3.09Å; S1492-S2598 PolarHBondContact OG-N 2.83Å; S1492-S2598 VanDerWaalsContact OG-N 3.09Å
1493	K	51.2	Low	55.9	Low	43 Å²	43	45.6 Å²	45.6	19%	0.187	25%	0.245	C	C	.	.			trans	55	129.7	-162.1	-138.6	156.8	-167.8	179	0	116.4	D528 K549 D1495 A2591 M2594 P2595 S2598	D528-K1493 IonicContact OD2-NZ 3.52Å; D528-K1493 PolarHBondContact OD2-NZ 3.34Å; K549-K1493 HydrophobicContact CD-CB 4.47Å; K549-K1493 HydrophobicContact CD-CD 3.68Å; K549-K1493 HydrophobicContact CG-CD 4.21Å; K549-K1493 VanDerWaalsContact NZ-CD 3.33Å; K1493-D1495 PolarHBondContact O-N 2.97Å; K1493-A2591 VanDerWaalsContact C-CB 3.42Å; K1493-A2591 CarbonylContact C-O 3.04Å; K1493-A2591 WeakPolarHBondContact CA-O 3.03Å; K1493-A2591 PolarHBondContact N-O 3.43Å; K1493-A2591 VanDerWaalsContact O-CB 3.25Å; K1493-A2591 WeakPolarHBondContact O-CB 3.04Å; K1493-M2594 PolarHBondContact N-O 3.42Å; K1493-P2595 VanDerWaalsContact CB-C 3.44Å; K1493-P2595 HydrophobicContact CB-CB 4.11Å; K1493-P2595 HydrophobicContact CD-CB 3.54Å; K1493-P2595 HydrophobicContact CG-CB 3.58Å; K1493-S2598 PolarHBondContact O-OG 3Å
1494	P	51	Low	56.4	Low	23 Å²	23	41.9 Å²	41.9	15%	0.149	22%	0.222	C	C	.	.			trans	-60.6	133.4	176.5	25.8	-35.8	0	0	0	112.1	I2585 A2591 Q2599	P1494-I2585 HydrophobicContact CB-CG1 3.94Å; P1494-I2585 HydrophobicContact CG-CG1 4.29Å; P1494-A2591 WeakPolarHBondContact CD-O 3.04Å; P1494-Q2599 WeakPolarHBondContact O-CG 3.35Å; P1494-Q2599 PolarHBondContact O-NE2 2.87Å
1495	D	47.3	Very low	57	Low	24 Å²	24	38 Å²	38	13%	0.128	20%	0.199	C	C	.	.	B	Isolated β-bridge	trans	-81.8	-178.9	168.3	-138.3	-27.7	0	0	0	110.2	K1493 I2585 F2586 S2587 Q2599 L2600	K1493-D1495 PolarHBondContact O-N 2.97Å; D1495-I2585 WeakPolarHBondContact O-CG1 3.1Å; D1495-F2586 CarbonylContact C-O 3.52Å; D1495-F2586 WeakPolarHBondContact CA-O 2.95Å; D1495-F2586 WeakPolarHBondContact CB-O 3.37Å; D1495-F2586 PolarHBondContact N-O 2.93Å; D1495-F2586 PolarHBondContact O-N 2.81Å; D1495-S2587 WeakPolarHBondContact CB-O 2.98Å; D1495-Q2599 HydrophobicContact CB-CG 4.32Å; D1495-Q2599 VanDerWaalsContact CG-CA 3.48Å; D1495-Q2599 WeakPolarHBondContact OD2-CA 2.89Å; D1495-Q2599 PolarHBondContact OD2-N 3.06Å; D1495-L2600 VanDerWaalsContact CG-N 3.27Å; D1495-L2600 WeakPolarHBondContact OD1-CD2 3.14Å; D1495-L2600 PolarHBondContact OD1-N 2.8Å; D1495-L2600 PolarHBondContact OD2-N 3.29Å
1496	I	49.9	Very low	57.2	Low	19 Å²	19	31.9 Å²	31.9	10%	0.097	17%	0.171	C	C	.	.	S	Bend	trans	-129.9	90.1	-155.8	-58.2	-160.4	0	0	0	112.8	P1511 G1515 V2584 I2585 F2586 L2600	I1496-P1511 HydrophobicContact CB-CB 4.09Å; I1496-P1511 HydrophobicContact CG2-CB 3.99Å; I1496-P1511 WeakPolarHBondContact O-CB 3.41Å; I1496-P1511 VanDerWaalsContact O-CG 3.22Å; I1496-P1511 WeakPolarHBondContact O-CG 3.28Å; I1496-G1515 WeakPolarHBondContact CG2-O 3.38Å; I1496-V2584 HydrophobicContact CG2-CG1 3.55Å; I1496-I2585 HydrophobicContact CD1-CD1 4.04Å; I1496-I2585 HydrophobicContact CG1-CD1 3.77Å; I1496-F2586 PolarHBondContact N-O 3.04Å; I1496-L2600 HydrophobicContact CB-CD2 4.04Å; I1496-L2600 HydrophobicContact CD1-CD2 4.07Å; I1496-L2600 HydrophobicContact CG1-CD2 3.95Å
1497	C	50.4	Low	57.7	Low	7 Å²	7	29.9 Å²	29.9	5%	0.047	16%	0.163	C	C	.	.	S	Bend	trans	179.3	75.8	168.8	-116.2	0	0	0	0	114.9	C1509 Y1517 F2586	C1497-C1509 HydrophobicContact CB-CB 3.99Å; C1497-C1509 WeakPolarHBondContact CB-SG 3.35Å; C1497-C1509 WeakPolarHBondContact SG-CB 3.04Å; C1497-C1509 CovalentContact SG-SG 2.03Å; C1497-C1509 PolarHBondContact SG-SG 2.74Å; C1497-Y1517 WeakPolarHBondContact SG-CB 3.19Å; C1497-F2586 WeakPolarHBondContact O-CB 3.23Å; C1497-F2586 WeakPolarHBondContact O-CD2 3.26Å; C1497-F2586 WeakPolarHBondContact O-CG 2.95Å
1498	P	49.3	Very low	58.4	Low	26 Å²	26	31.4 Å²	31.4	17%	0.169	17%	0.171	C	C	.	.			trans	-40.6	146.9	-155.3	34.2	-34	0	0	0	115.7	N1500 H1501 Y1517 I2585 F2586	P1498-N1500 VanDerWaalsContact C-N 3.35Å; P1498-N1500 WeakPolarHBondContact CG-O 3.27Å; P1498-N1500 CarbonylContact O-C 3.58Å; P1498-N1500 PolarHBondContact O-N 3.06Å; P1498-H1501 HydrophobicContact CG-CB 4.19Å; P1498-H1501 WeakPolarHBondContact O-CA 3.13Å; P1498-H1501 WeakPolarHBondContact O-CB 3.27Å; P1498-H1501 PolarHBondContact O-N 3.38Å; P1498-Y1517 HydrophobicContact CG-CD1 3.97Å; P1498-Y1517 HydrophobicContact CG-CE1 3.49Å; P1498-Y1517 VanDerWaalsContact CG-CE1 3.49Å; P1498-I2585 WeakPolarHBondContact CA-O 3.45Å; P1498-F2586 VanDerWaalsContact CA-CB 3.5Å
1499	S	49.5	Very low	58.6	Low	50 Å²	50	32.6 Å²	32.6	35%	0.35	18%	0.179	S	C	.	.	S	Bend	trans	-48	-60.9	176.6	-37.4	0	0	0	0	109.3	H1501 F2586 H2673	S1499-H1501 PolarHBondContact O-N 3.02Å; S1499-F2586 VanDerWaalsContact CA-CD1 3.46Å; S1499-F2586 VanDerWaalsContact N-CD1 3.34Å; S1499-F2586 WeakPolarHBondContact OG-CD1 3.06Å; S1499-F2586 WeakPolarHBondContact OG-CE1 3.49Å; S1499-H2673 WeakPolarHBondContact CB-ND1 3.48Å; S1499-H2673 PolarHBondContact O-CE1 2.96Å; S1499-H2673 PolarHBondContact O-NE2 2.93Å
1500	N	48.9	Very low	57.9	Low	124 Å²	124	30.3 Å²	30.3	66%	0.663	17%	0.171	S	C	*	.	S	Bend	trans	-71.6	73.7	161.1	-74.7	-11.2	0	0	0	109.9	P1498 H2673	P1498-N1500 VanDerWaalsContact C-N 3.35Å; P1498-N1500 WeakPolarHBondContact CG-O 3.27Å; P1498-N1500 CarbonylContact O-C 3.58Å; P1498-N1500 PolarHBondContact O-N 3.06Å; N1500-H2673 PolarHBondContact OD1-CD2 2.99Å
1501	H	56.5	Low	57.3	Low	23 Å²	23	26.7 Å²	26.7	11%	0.106	15%	0.153	C	C	.	.			trans	-80.8	135.6	162.6	64.5	34.6	0	0	0	107.7	P1498 S1499 C1503 C1509 Y1517 R2672	P1498-H1501 HydrophobicContact CG-CB 4.19Å; P1498-H1501 WeakPolarHBondContact O-CA 3.13Å; P1498-H1501 WeakPolarHBondContact O-CB 3.27Å; P1498-H1501 PolarHBondContact O-N 3.38Å; S1499-H1501 PolarHBondContact O-N 3.02Å; H1501-C1503 HydrophobicContact CB-CB 4.44Å; H1501-C1503 PolarHBondContact O-N 2.81Å; H1501-C1503 VanDerWaalsContact O-N 3.15Å; H1501-C1509 VanDerWaalsContact CD2-CB 3.48Å; H1501-C1509 WeakPolarHBondContact CD2-CB 3.4Å; H1501-Y1517 HydrophobicContact CB-CE1 4.08Å; H1501-R2672 PolarHBondContact CE1-NH1 2.76Å; H1501-R2672 PolarHBondContact NE2-NH1 2.7Å
1502	D	62.2	Low	56.7	Low	67 Å²	67	26.5 Å²	26.5	36%	0.358	15%	0.152	S	C	.	.			trans	-78.4	2.7	178.7	-48.8	-56.5	0	0	0	111.3	S1504 Y1517 R1536	D1502-S1504 PolarHBondContact O-N 2.94Å; D1502-Y1517 WeakPolarHBondContact CB-OH 3.28Å; D1502-Y1517 PolarHBondContact N-OH 3.2Å; D1502-Y1517 VanDerWaalsContact N-OH 3.15Å; D1502-Y1517 PolarHBondContact OD2-OH 3.24Å; D1502-R1536 HydrophobicContact CB-CG 4.37Å; D1502-R1536 VanDerWaalsContact CB-CZ 3.49Å; D1502-R1536 WeakPolarHBondContact O-CB 3.13Å; D1502-R1536 WeakPolarHBondContact O-CD 3.16Å; D1502-R1536 VanDerWaalsContact O-CG 3.28Å; D1502-R1536 WeakPolarHBondContact O-CG 3.31Å; D1502-R1536 IonicContact OD2-CZ 3.08Å; D1502-R1536 IonicContact OD2-NH1 3.98Å; D1502-R1536 PolarHBondContact OD2-NH1 2.86Å; D1502-R1536 IonicContact OD2-NH2 3.67Å; D1502-R1536 PolarHBondContact OD2-NH2 3.34Å
1503	C	69.3	Low	55.9	Low	0 Å²	0	29.4 Å²	29.4	0%	0	17%	0.171	C	C	.	.	S	Bend	trans	-51.5	141.2	171.2	-56.8	0	0	0	0	110.8	K1244 H1501 S1505 A1507 C1519	K1244-C1503 PolarHBondContact NZ-O 2.97Å; H1501-C1503 HydrophobicContact CB-CB 4.44Å; H1501-C1503 PolarHBondContact O-N 2.81Å; H1501-C1503 VanDerWaalsContact O-N 3.15Å; C1503-S1505 PolarHBondContact O-N 2.96Å; C1503-A1507 HydrophobicContact CB-CB 4.28Å; C1503-C1519 WeakPolarHBondContact CA-SG 3.32Å; C1503-C1519 HydrophobicContact CB-CB 3.65Å; C1503-C1519 WeakPolarHBondContact CB-SG 3.35Å; C1503-C1519 PolarHBondContact N-SG 3.3Å; C1503-C1519 VanDerWaalsContact SG-CA 3.57Å; C1503-C1519 WeakPolarHBondContact SG-CB 3.42Å; C1503-C1519 CovalentContact SG-SG 2.03Å; C1503-C1519 PolarHBondContact SG-SG 3.37Å
1504	S	60	Low	55.5	Low	0 Å²	0	33 Å²	33	0%	0	19%	0.188	C	C	.	.			trans	-54.4	135.9	158.6	-168	0	0	0	0	104.6	D1502 A1506 A1507 G1535 R1536 C1538	D1502-S1504 PolarHBondContact O-N 2.94Å; S1504-A1506 PolarHBondContact O-N 2.9Å; S1504-A1506 VanDerWaalsContact O-N 3.08Å; S1504-A1507 WeakPolarHBondContact O-CA 3.25Å; S1504-A1507 WeakPolarHBondContact O-CB 2.83Å; S1504-A1507 PolarHBondContact O-N 3.01Å; S1504-G1535 WeakPolarHBondContact CA-O 3.17Å; S1504-G1535 WeakPolarHBondContact CB-O 3.43Å; S1504-G1535 PolarHBondContact N-O 2.64Å; S1504-R1536 WeakPolarHBondContact CA-O 3.38Å; S1504-R1536 WeakPolarHBondContact CB-O 3.41Å; S1504-R1536 VanDerWaalsContact N-C 3.29Å; S1504-R1536 VanDerWaalsContact N-CA 3.35Å; S1504-R1536 PolarHBondContact N-O 3.22Å; S1504-C1538 PolarHBondContact OG-N 2.84Å
1505	S	62	Low	55.4	Low	9 Å²	9	33.3 Å²	33.3	6%	0.063	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-15.2	177.4	54.8	0	0	0	0	110.3	E1231 K1244 C1503 A1507 R2672	E1231-S1505 WeakPolarHBondContact CG-OG 3.44Å; E1231-S1505 WeakPolarHBondContact OE2-CA 3.36Å; E1231-S1505 WeakPolarHBondContact OE2-CB 3.38Å; E1231-S1505 PolarHBondContact OE2-OG 2.97Å; K1244-S1505 WeakPolarHBondContact CG-OG 3.15Å; C1503-S1505 PolarHBondContact O-N 2.96Å; S1505-A1507 VanDerWaalsContact C-N 3.28Å; S1505-A1507 PolarHBondContact O-N 3.05Å; S1505-R2672 VanDerWaalsContact CB-NH2 3.31Å; S1505-R2672 PolarHBondContact O-NH2 2.81Å
1506	A	56.7	Low	55.4	Low	2 Å²	2	33 Å²	33	2%	0.017	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.1	18.7	163.5	0	0	0	0	0	115.6	K1229 E1231 S1504 V1522 Y1525 C1538	K1229-A1506 HydrophobicContact CD-CB 4Å; E1231-A1506 HydrophobicContact CG-CB 4.32Å; E1231-A1506 WeakPolarHBondContact OE1-CA 3.43Å; E1231-A1506 PolarHBondContact OE1-N 3.43Å; S1504-A1506 PolarHBondContact O-N 2.9Å; S1504-A1506 VanDerWaalsContact O-N 3.08Å; A1506-V1522 WeakPolarHBondContact O-CG2 3.31Å; A1506-V1522 PolarHBondContact O-N 2.76Å; A1506-V1522 VanDerWaalsContact O-N 3.14Å; A1506-Y1525 HydrophobicContact CB-CD1 4.18Å; A1506-Y1525 HydrophobicContact CB-CE1 4.23Å; A1506-C1538 HydrophobicContact CB-CB 4.1Å
1507	A	66.6	Low	55.8	Low	6 Å²	6	32.8 Å²	32.8	5%	0.05	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	154.6	166.2	0	0	0	0	0	111.5	C1503 S1504 S1505 C1519 R1520 G1535	C1503-A1507 HydrophobicContact CB-CB 4.28Å; S1504-A1507 WeakPolarHBondContact O-CA 3.25Å; S1504-A1507 WeakPolarHBondContact O-CB 2.83Å; S1504-A1507 PolarHBondContact O-N 3.01Å; S1505-A1507 VanDerWaalsContact C-N 3.28Å; S1505-A1507 PolarHBondContact O-N 3.05Å; A1507-C1519 HydrophobicContact CB-CB 4.08Å; A1507-R1520 CarbonylContact C-O 3.56Å; A1507-R1520 WeakPolarHBondContact CA-O 3Å; A1507-R1520 WeakPolarHBondContact CB-O 2.93Å; A1507-G1535 WeakPolarHBondContact CB-O 2.96Å
1508	V	71.7	Confident	56.4	Low	68 Å²	68	32.4 Å²	32.4	41%	0.412	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	123.2	165.4	-169.1	0	0	0	0	107.5	E1510 R1520 V1522	V1508-E1510 HydrophobicContact CB-CG 3.94Å; V1508-E1510 HydrophobicContact CG1-CG 3.61Å; V1508-E1510 PolarHBondContact O-N 3.16Å; V1508-R1520 PolarHBondContact N-O 2.73Å; V1508-R1520 PolarHBondContact O-N 3.07Å; V1508-V1522 HydrophobicContact CG2-CG1 3.82Å
1509	C	67.4	Low	57.4	Low	24 Å²	24	31.2 Å²	31.2	16%	0.162	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	118.2	166.1	-164.7	0	0	0	0	107.8	C1497 H1501 Y1517	C1497-C1509 HydrophobicContact CB-CB 3.99Å; C1497-C1509 WeakPolarHBondContact CB-SG 3.35Å; C1497-C1509 WeakPolarHBondContact SG-CB 3.04Å; C1497-C1509 CovalentContact SG-SG 2.03Å; C1497-C1509 PolarHBondContact SG-SG 2.74Å; H1501-C1509 VanDerWaalsContact CD2-CB 3.48Å; H1501-C1509 WeakPolarHBondContact CD2-CB 3.4Å; C1509-Y1517 VanDerWaalsContact SG-CG 3.57Å
1510	E	56.3	Low	58.1	Low	21 Å²	21	34 Å²	34	10%	0.098	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	104.4	-169.4	-76.1	-158	-109.3	0	0	108.7	V1508 T1518 R1520 T2603 R2604	V1508-E1510 HydrophobicContact CB-CG 3.94Å; V1508-E1510 HydrophobicContact CG1-CG 3.61Å; V1508-E1510 PolarHBondContact O-N 3.16Å; E1510-T1518 PolarHBondContact N-O 3.31Å; E1510-T1518 PolarHBondContact O-N 3.13Å; E1510-R1520 WeakPolarHBondContact OE1-CD 2.98Å; E1510-R1520 IonicContact OE1-NH1 3.56Å; E1510-T2603 VanDerWaalsContact CB-C 3.47Å; E1510-T2603 PolarHBondContact OE2-N 3.42Å; E1510-T2603 VanDerWaalsContact OE2-O 3.05Å; E1510-R2604 HydrophobicContact CB-CB 4.17Å; E1510-R2604 PolarHBondContact O-N 3.14Å; E1510-R2604 WeakPolarHBondContact OE1-CD 3.11Å; E1510-R2604 IonicContact OE1-NE 3.16Å
1511	P	53.2	Low	58.8	Low	8 Å²	8	28.7 Å²	28.7	5%	0.052	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.8	154.4	-175.5	4.3	-23.9	0	0	0	121.3	I1496 Q2601 R2604	I1496-P1511 HydrophobicContact CB-CB 4.09Å; I1496-P1511 HydrophobicContact CG2-CB 3.99Å; I1496-P1511 WeakPolarHBondContact O-CB 3.41Å; I1496-P1511 VanDerWaalsContact O-CG 3.22Å; I1496-P1511 WeakPolarHBondContact O-CG 3.28Å; P1511-Q2601 HydrophobicContact CB-CG 3.86Å; P1511-Q2601 HydrophobicContact CG-CG 3.79Å; P1511-R2604 CarbonylContact C-O 2.7Å; P1511-R2604 CarbonylContact O-C 3.39Å; P1511-R2604 PolarHBondContact O-N 2.95Å
1512	L	53.8	Low	59.1	Low	2 Å²	2	30 Å²	30	1%	0.01	17%	0.168	C	C	.	.			trans	-92.7	165.9	169.7	-83.5	139.3	0	0	0	114.2	E1514 S1516 T1518 Q2601 R2604 Y2605 S2607	L1512-E1514 VanDerWaalsContact C-N 3.33Å; L1512-S1516 VanDerWaalsContact CB-O 3.27Å; L1512-S1516 WeakPolarHBondContact CB-O 3.27Å; L1512-S1516 VanDerWaalsContact CD1-CB 3.4Å; L1512-S1516 WeakPolarHBondContact CD1-OG 3.44Å; L1512-S1516 PolarHBondContact N-O 2.82Å; L1512-T1518 HydrophobicContact CD1-CG2 3.75Å; L1512-T1518 HydrophobicContact CG-CG2 4.46Å; L1512-Q2601 VanDerWaalsContact C-NE2 3.27Å; L1512-Q2601 PolarHBondContact O-NE2 3.36Å; L1512-R2604 WeakPolarHBondContact CG-O 3.33Å; L1512-R2604 PolarHBondContact N-O 2.69Å; L1512-Y2605 HydrophobicContact CD2-CD1 4.11Å; L1512-Y2605 HydrophobicContact CD2-CG 4.39Å; L1512-S2607 VanDerWaalsContact CD1-N 3.29Å
1513	P	41.2	Very low	58.4	Low	72 Å²	72	33 Å²	33	47%	0.468	19%	0.191	S	C	.	.	S	Bend	trans	-88.6	10.6	164.3	9.3	10.9	0	0	0	114.1	Y2605	P1513-Y2605 HydrophobicContact CG-CE1 3.72Å; P1513-Y2605 HydrophobicContact CG-CE2 4Å; P1513-Y2605 WeakPolarHBondContact CG-OH 3.19Å
1514	E	42.6	Very low	57.4	Low	118 Å²	118	35 Å²	35	55%	0.551	21%	0.212	S	C	*	.	S	Bend	trans	-120.3	23.7	-177.4	-71.4	170.5	167	0	0	111.6	L1512 S1516 S2607 A2608	L1512-E1514 VanDerWaalsContact C-N 3.33Å; E1514-S1516 PolarHBondContact O-N 3.16Å; E1514-S2607 VanDerWaalsContact OE2-CB 3.27Å; E1514-S2607 WeakPolarHBondContact OE2-CB 3.21Å; E1514-A2608 WeakPolarHBondContact OE2-CB 3.48Å
1515	G	47.7	Very low	57	Low	29 Å²	29	36.7 Å²	36.7	30%	0.299	22%	0.218	S	C	.	.	S	Bend	trans	87.8	-30.6	-179.5	0	0	0	0	0	114.2	I1496 V2584	I1496-G1515 WeakPolarHBondContact CG2-O 3.38Å; G1515-V2584 VanDerWaalsContact O-CB 3.32Å; G1515-V2584 WeakPolarHBondContact O-CB 3.31Å; G1515-V2584 VanDerWaalsContact O-CG1 3.26Å; G1515-V2584 WeakPolarHBondContact O-CG1 3.08Å
1516	S	47.8	Very low	56.9	Low	19 Å²	19	39 Å²	39	13%	0.133	23%	0.231	C	C	.	.			trans	-74.1	172.8	-176.1	21.7	0	0	0	0	114.6	L1512 E1514 S2583	L1512-S1516 VanDerWaalsContact CB-O 3.27Å; L1512-S1516 WeakPolarHBondContact CB-O 3.27Å; L1512-S1516 VanDerWaalsContact CD1-CB 3.4Å; L1512-S1516 WeakPolarHBondContact CD1-OG 3.44Å; L1512-S1516 PolarHBondContact N-O 2.82Å; E1514-S1516 PolarHBondContact O-N 3.16Å; S1516-S2583 WeakPolarHBondContact CB-OG 3.33Å
1517	Y	59.5	Low	57	Low	13 Å²	13	41.6 Å²	41.6	5%	0.051	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	166.1	166.7	67	-114.2	0	0	0	107.8	C1497 P1498 H1501 D1502 C1509 C1519 R1536 V2584	C1497-Y1517 WeakPolarHBondContact SG-CB 3.19Å; P1498-Y1517 HydrophobicContact CG-CD1 3.97Å; P1498-Y1517 HydrophobicContact CG-CE1 3.49Å; P1498-Y1517 VanDerWaalsContact CG-CE1 3.49Å; H1501-Y1517 HydrophobicContact CB-CE1 4.08Å; D1502-Y1517 WeakPolarHBondContact CB-OH 3.28Å; D1502-Y1517 PolarHBondContact N-OH 3.2Å; D1502-Y1517 VanDerWaalsContact N-OH 3.15Å; D1502-Y1517 PolarHBondContact OD2-OH 3.24Å; C1509-Y1517 VanDerWaalsContact SG-CG 3.57Å; Y1517-C1519 WeakPolarHBondContact CE2-SG 3.5Å; Y1517-R1536 PolarHBondContact OH-NH2 3.07Å; Y1517-R1536 VanDerWaalsContact OH-NH2 3.1Å; Y1517-V2584 HydrophobicContact CD1-CB 3.85Å; Y1517-V2584 HydrophobicContact CD1-CG1 3.68Å; Y1517-V2584 HydrophobicContact CD1-CG2 3.02Å; Y1517-V2584 HydrophobicContact CE1-CB 4.42Å; Y1517-V2584 HydrophobicContact CE1-CG2 3.4Å; Y1517-V2584 VanDerWaalsContact CE1-CG2 3.4Å; Y1517-V2584 HydrophobicContact CG-CG1 4.25Å; Y1517-V2584 HydrophobicContact CG-CG2 3.68Å; Y1517-V2584 VanDerWaalsContact N-CG2 3.28Å
1518	T	62.3	Low	56.8	Low	0 Å²	0	43.8 Å²	43.8	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	158.8	152.8	90.6	0	0	0	0	112.3	D1269 E1510 L1512 R2604 T2606	D1269-T1518 HydrophobicContact CB-CG2 3.94Å; D1269-T1518 WeakPolarHBondContact CB-OG1 3.4Å; D1269-T1518 VanDerWaalsContact CG-OG1 3.3Å; D1269-T1518 WeakPolarHBondContact O-CA 3.41Å; D1269-T1518 WeakPolarHBondContact O-CB 3.31Å; D1269-T1518 PolarHBondContact OD2-OG1 3.12Å; E1510-T1518 PolarHBondContact N-O 3.31Å; E1510-T1518 PolarHBondContact O-N 3.13Å; L1512-T1518 HydrophobicContact CD1-CG2 3.75Å; L1512-T1518 HydrophobicContact CG-CG2 4.46Å; T1518-R2604 HydrophobicContact CG2-CB 4.06Å; T1518-R2604 WeakPolarHBondContact OG1-CB 3.08Å; T1518-T2606 VanDerWaalsContact CG2-N 3.34Å; T1518-T2606 WeakPolarHBondContact CG2-O 3.29Å
1519	C	69.8	Low	56.1	Low	0 Å²	0	40.8 Å²	40.8	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	126	178	-56.3	0	0	0	0	107.6	D1269 C1503 A1507 Y1517 P1534 G1535 R1536	D1269-C1519 WeakPolarHBondContact CB-O 3.4Å; D1269-C1519 VanDerWaalsContact CG-O 3.29Å; D1269-C1519 PolarHBondContact O-N 2.57Å; C1503-C1519 WeakPolarHBondContact CA-SG 3.32Å; C1503-C1519 HydrophobicContact CB-CB 3.65Å; C1503-C1519 WeakPolarHBondContact CB-SG 3.35Å; C1503-C1519 PolarHBondContact N-SG 3.3Å; C1503-C1519 VanDerWaalsContact SG-CA 3.57Å; C1503-C1519 WeakPolarHBondContact SG-CB 3.42Å; C1503-C1519 CovalentContact SG-SG 2.03Å; C1503-C1519 PolarHBondContact SG-SG 3.37Å; A1507-C1519 HydrophobicContact CB-CB 4.08Å; Y1517-C1519 WeakPolarHBondContact CE2-SG 3.5Å; C1519-P1534 CarbonylContact O-C 3.54Å; C1519-P1534 VanDerWaalsContact O-C 3.29Å; C1519-G1535 VanDerWaalsContact CB-C 3.48Å; C1519-G1535 VanDerWaalsContact CB-CA 3.47Å; C1519-G1535 WeakPolarHBondContact O-CA 3.48Å; C1519-G1535 PolarHBondContact O-N 2.94Å; C1519-R1536 HydrophobicContact CB-CG 4.28Å
1520	R	65.3	Low	55.6	Low	108 Å²	108	39.7 Å²	39.7	41%	0.408	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	120.1	175.8	-171.4	-160.8	-171.8	171.1	0.2	111.9	A1507 V1508 E1510 V1522	A1507-R1520 CarbonylContact C-O 3.56Å; A1507-R1520 WeakPolarHBondContact CA-O 3Å; A1507-R1520 WeakPolarHBondContact CB-O 2.93Å; V1508-R1520 PolarHBondContact N-O 2.73Å; V1508-R1520 PolarHBondContact O-N 3.07Å; E1510-R1520 WeakPolarHBondContact OE1-CD 2.98Å; E1510-R1520 IonicContact OE1-NH1 3.56Å; R1520-V1522 PolarHBondContact O-N 2.82Å
1521	C	63.9	Low	55.3	Low	13 Å²	13	42.4 Å²	42.4	9%	0.088	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-53.5	131.7	176.2	-64.3	0	0	0	0	112.9	D1527 C1538	C1521-D1527 PolarHBondContact SG-OD1 3.5Å; C1521-D1527 PolarHBondContact SG-OD2 3Å; C1521-D1527 VanDerWaalsContact SG-OD2 3.37Å; C1521-C1538 WeakPolarHBondContact CA-SG 3.35Å; C1521-C1538 HydrophobicContact CB-CB 3.9Å; C1521-C1538 WeakPolarHBondContact CB-SG 3.42Å; C1521-C1538 WeakPolarHBondContact SG-CA 3.32Å; C1521-C1538 WeakPolarHBondContact SG-CB 3.45Å; C1521-C1538 CovalentContact SG-SG 2.02Å; C1521-C1538 PolarHBondContact SG-SG 3.21Å
1522	V	61.6	Low	55.3	Low	52 Å²	52	43.6 Å²	43.6	32%	0.315	25%	0.253	S	S	.	.	P	Polyproline II helix	trans	-62.8	146.6	173.1	-91	0	0	0	0	110.5	A1506 V1508 R1520 G1524 Y1525	A1506-V1522 WeakPolarHBondContact O-CG2 3.31Å; A1506-V1522 PolarHBondContact O-N 2.76Å; A1506-V1522 VanDerWaalsContact O-N 3.14Å; V1508-V1522 HydrophobicContact CG2-CG1 3.82Å; R1520-V1522 PolarHBondContact O-N 2.82Å; V1522-G1524 PolarHBondContact O-N 3.41Å; V1522-Y1525 HydrophobicContact CG2-CD2 3.96Å; V1522-Y1525 HydrophobicContact CG2-CE2 4.22Å; V1522-Y1525 WeakPolarHBondContact O-CB 2.82Å; V1522-Y1525 VanDerWaalsContact O-CD2 3.3Å; V1522-Y1525 WeakPolarHBondContact O-CD2 3.23Å; V1522-Y1525 PolarHBondContact O-N 2.97Å; V1522-Y1525 VanDerWaalsContact O-N 3.12Å
1523	P	48.6	Very low	55.6	Low	130 Å²	130	43.5 Å²	43.5	84%	0.844	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.9	130.4	-178.5	-28.1	36.1	0	0	0	113.3
1524	G	48.1	Very low	56.4	Low	41 Å²	41	40.5 Å²	40.5	42%	0.423	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	110.5	-10.3	-168.9	0	0	0	0	0	112.9	V1522 A1541	V1522-G1524 PolarHBondContact O-N 3.41Å; G1524-A1541 WeakPolarHBondContact O-CB 3.43Å; G1524-A1541 PolarHBondContact O-N 3.29Å; G1524-A1541 VanDerWaalsContact O-N 3.12Å
1525	Y	50.9	Low	57.5	Low	36 Å²	36	34.9 Å²	34.9	14%	0.141	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	150.6	175.9	-61.9	-101.4	0	0	0	110.3	K1229 A1506 V1522 C1538 V1539 R1540	K1229-Y1525 HydrophobicContact CB-CE1 4.28Å; K1229-Y1525 HydrophobicContact CD-CE1 3.52Å; K1229-Y1525 WeakPolarHBondContact CE-OH 3.34Å; K1229-Y1525 HydrophobicContact CG-CE1 3.68Å; K1229-Y1525 PolarHBondContact NZ-OH 2.59Å; A1506-Y1525 HydrophobicContact CB-CD1 4.18Å; A1506-Y1525 HydrophobicContact CB-CE1 4.23Å; V1522-Y1525 HydrophobicContact CG2-CD2 3.96Å; V1522-Y1525 HydrophobicContact CG2-CE2 4.22Å; V1522-Y1525 WeakPolarHBondContact O-CB 2.82Å; V1522-Y1525 VanDerWaalsContact O-CD2 3.3Å; V1522-Y1525 WeakPolarHBondContact O-CD2 3.23Å; V1522-Y1525 PolarHBondContact O-N 2.97Å; V1522-Y1525 VanDerWaalsContact O-N 3.12Å; Y1525-C1538 HydrophobicContact CD1-CB 4.43Å; Y1525-C1538 WeakPolarHBondContact CD1-O 3.02Å; Y1525-V1539 CarbonylContact C-O 3.59Å; Y1525-V1539 VanDerWaalsContact C-O 3.31Å; Y1525-V1539 WeakPolarHBondContact CA-O 3.16Å; Y1525-V1539 WeakPolarHBondContact CB-O 3.26Å; Y1525-V1539 VanDerWaalsContact CD1-C 3.5Å; Y1525-V1539 WeakPolarHBondContact CD1-O 3.36Å; Y1525-R1540 HydrophobicContact CD1-CB 3.87Å; Y1525-R1540 HydrophobicContact CD1-CG 4.48Å; Y1525-R1540 VanDerWaalsContact CD1-N 3.33Å; Y1525-R1540 HydrophobicContact CE1-CB 3.49Å; Y1525-R1540 VanDerWaalsContact CE1-CB 3.49Å; Y1525-R1540 HydrophobicContact CE1-CG 4Å; Y1525-R1540 PolarHBondContact OH-NE 2.03Å; Y1525-R1540 VanDerWaalsContact OH-NE 3.07Å; Y1525-R1540 PolarHBondContact OH-NH2 3.21Å
1526	V	60.3	Low	58.5	Low	56 Å²	56	34 Å²	34	34%	0.339	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	149	171.7	-78.1	0	0	0	0	107.6	H1528 V1539 A1541	V1526-H1528 PolarHBondContact O-N 3.29Å; V1526-V1539 HydrophobicContact CG2-CB 3.88Å; V1526-V1539 HydrophobicContact CG2-CG1 4.42Å; V1526-V1539 HydrophobicContact CG2-CG2 4.28Å; V1526-V1539 PolarHBondContact N-O 3.04Å; V1526-V1539 WeakPolarHBondContact O-CA 3.44Å; V1526-V1539 WeakPolarHBondContact O-CB 3.11Å; V1526-V1539 VanDerWaalsContact O-CG2 3.23Å; V1526-V1539 WeakPolarHBondContact O-CG2 3.48Å; V1526-V1539 PolarHBondContact O-N 2.75Å; V1526-A1541 HydrophobicContact CB-CB 3.82Å; V1526-A1541 HydrophobicContact CG1-CB 3.5Å; V1526-A1541 VanDerWaalsContact CG1-CB 3.5Å; V1526-A1541 HydrophobicContact CG2-CB 3.54Å
1527	D	57.7	Low	59.1	Low	58 Å²	58	33.5 Å²	33.5	31%	0.31	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74	107.3	167	-63.2	-71.2	0	0	0	109.2	C1521 S1529 P1534 G1535	C1521-D1527 PolarHBondContact SG-OD1 3.5Å; C1521-D1527 PolarHBondContact SG-OD2 3Å; C1521-D1527 VanDerWaalsContact SG-OD2 3.37Å; D1527-S1529 VanDerWaalsContact C-N 3.3Å; D1527-S1529 VanDerWaalsContact OD1-CB 3.3Å; D1527-S1529 WeakPolarHBondContact OD1-CB 3.18Å; D1527-P1534 HydrophobicContact CB-CB 3.98Å; D1527-P1534 HydrophobicContact CB-CG 4.2Å; D1527-P1534 WeakPolarHBondContact OD1-CA 2.96Å; D1527-G1535 PolarHBondContact OD1-N 3.13Å
1528	H	63.6	Low	59	Low	51 Å²	51	32.9 Å²	32.9	24%	0.236	19%	0.188	C	C	.	.			trans	-88.1	-9.5	138	-61.6	174.9	0	0	0	109.7	L1246 V1247 N1248 V1526 V1539 D1546 L1549	L1246-H1528 WeakPolarHBondContact O-CB 3.1Å; V1247-H1528 CarbonylContact C-O 3.56Å; N1248-H1528 WeakPolarHBondContact CA-O 2.87Å; N1248-H1528 WeakPolarHBondContact CB-O 3.08Å; N1248-H1528 PolarHBondContact N-O 3.3Å; V1526-H1528 PolarHBondContact O-N 3.29Å; H1528-V1539 HydrophobicContact CB-CG2 3.29Å; H1528-V1539 WeakPolarHBondContact CD2-CG2 3.17Å; H1528-V1539 WeakPolarHBondContact ND1-CG2 3.48Å; H1528-D1546 IonicContact CE1-OD2 2.73Å; H1528-D1546 PolarHBondContact CE1-OD2 2.83Å; H1528-L1549 WeakPolarHBondContact CE1-CD1 3.42Å; H1528-L1549 WeakPolarHBondContact NE2-CD1 3.35Å
1529	S	55.7	Low	58.7	Low	5 Å²	5	33.4 Å²	33.4	4%	0.035	19%	0.191	C	C	.	.	S	Bend	trans	-35.6	141.6	146.6	-82.9	0	0	0	0	109.9	V1247 E1249 D1527 T1533 R1536 K1537	V1247-S1529 WeakPolarHBondContact O-CA 3.24Å; V1247-S1529 PolarHBondContact O-N 2.86Å; E1249-S1529 WeakPolarHBondContact OE2-CA 3.44Å; E1249-S1529 WeakPolarHBondContact OE2-CB 3.32Å; E1249-S1529 PolarHBondContact OE2-OG 3.48Å; D1527-S1529 VanDerWaalsContact C-N 3.3Å; D1527-S1529 VanDerWaalsContact OD1-CB 3.3Å; D1527-S1529 WeakPolarHBondContact OD1-CB 3.18Å; S1529-T1533 VanDerWaalsContact CB-O 3.3Å; S1529-T1533 WeakPolarHBondContact CB-O 3.44Å; S1529-T1533 PolarHBondContact OG-O 3.28Å; S1529-R1536 PolarHBondContact OG-N 3.44Å; S1529-K1537 WeakPolarHBondContact OG-CA 3.44Å; S1529-K1537 PolarHBondContact OG-N 3.3Å; S1529-K1537 PolarHBondContact OG-O 3.32Å
1530	P	57.3	Low	57.6	Low	1 Å²	1	39.7 Å²	39.7	1%	0.006	22%	0.215	C	C	.	.			trans	-67.2	168.4	-165.5	33.5	-28.1	0	0	0	107.7	N1248 E1249 E1532 T1533 P1534	N1248-P1530 HydrophobicContact CB-CB 4.18Å; N1248-P1530 VanDerWaalsContact CG-CA 3.44Å; N1248-P1530 WeakPolarHBondContact ND2-CA 3.3Å; N1248-P1530 WeakPolarHBondContact OD1-CB 3.42Å; E1249-P1530 HydrophobicContact CB-CG 3.7Å; E1249-P1530 VanDerWaalsContact N-CD 3.26Å; E1249-P1530 WeakPolarHBondContact OE2-CD 3.38Å; P1530-E1532 HydrophobicContact CB-CB 4.01Å; P1530-E1532 HydrophobicContact CB-CG 3.8Å; P1530-E1532 HydrophobicContact CG-CB 3.69Å; P1530-E1532 HydrophobicContact CG-CG 4Å; P1530-E1532 PolarHBondContact O-N 3.46Å; P1530-T1533 VanDerWaalsContact CG-CB 3.43Å; P1530-T1533 VanDerWaalsContact CG-N 3.28Å; P1530-T1533 WeakPolarHBondContact CG-OG1 3.31Å; P1530-T1533 PolarHBondContact O-N 3.35Å; P1530-T1533 VanDerWaalsContact O-N 3.12Å; P1530-P1534 WeakPolarHBondContact O-CD 3.4Å
1531	P	51.3	Low	56.8	Low	79 Å²	79	34.9 Å²	34.9	51%	0.513	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.8	-18	160.3	19.5	-20.5	0	0	0	111.3	D1266 L1267	D1266-P1531 WeakPolarHBondContact OD2-CA 3.4Å; D1266-P1531 WeakPolarHBondContact OD2-CB 3.46Å; D1266-P1531 WeakPolarHBondContact OD2-CG 3.16Å; L1267-P1531 CarbonylContact C-O 3.35Å
1532	E	51.9	Low	56	Low	32 Å²	32	36.9 Å²	36.9	15%	0.15	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79	-15.5	176.5	-21.3	-125.7	97.3	0	0	117.5	C1250 C1264 T1265 D1266 L1267 G1270 Y1271 P1530	C1250-E1532 HydrophobicContact CB-CB 4.45Å; C1250-E1532 HydrophobicContact CB-CG 3.82Å; C1250-E1532 WeakPolarHBondContact CB-OE2 3.34Å; C1250-E1532 PolarHBondContact SG-OE2 3.38Å; C1264-E1532 WeakPolarHBondContact CB-OE2 3.31Å; T1265-E1532 VanDerWaalsContact C-CD 3.45Å; T1265-E1532 VanDerWaalsContact C-OE1 3.24Å; T1265-E1532 WeakPolarHBondContact CA-OE1 3.43Å; T1265-E1532 PolarHBondContact N-OE2 2.96Å; T1265-E1532 VanDerWaalsContact N-OE2 3.15Å; D1266-E1532 VanDerWaalsContact CA-CA 3.45Å; D1266-E1532 VanDerWaalsContact CA-OE1 3.29Å; D1266-E1532 WeakPolarHBondContact CA-OE1 3.45Å; D1266-E1532 WeakPolarHBondContact CB-OE1 3.42Å; D1266-E1532 VanDerWaalsContact CG-OE1 3.27Å; D1266-E1532 PolarHBondContact N-OE1 3.13Å; D1266-E1532 WeakPolarHBondContact OD2-CA 3.29Å; D1266-E1532 WeakPolarHBondContact OD2-CG 3.43Å; D1266-E1532 PolarHBondContact OD2-N 2.73Å; L1267-E1532 PolarHBondContact N-O 2.76Å; L1267-E1532 CarbonylContact O-C 2.96Å; L1267-E1532 VanDerWaalsContact O-O 3.12Å; G1270-E1532 CarbonylContact C-O 3.42Å; G1270-E1532 VanDerWaalsContact O-O 3.12Å; Y1271-E1532 WeakPolarHBondContact CA-O 3.47Å; Y1271-E1532 VanDerWaalsContact CB-O 3.24Å; Y1271-E1532 WeakPolarHBondContact CB-O 3.38Å; Y1271-E1532 PolarHBondContact N-O 3.29Å; P1530-E1532 HydrophobicContact CB-CB 4.01Å; P1530-E1532 HydrophobicContact CB-CG 3.8Å; P1530-E1532 HydrophobicContact CG-CB 3.69Å; P1530-E1532 HydrophobicContact CG-CG 4Å; P1530-E1532 PolarHBondContact O-N 3.46Å
1533	T	60.4	Low	55.6	Low	0 Å²	0	36.2 Å²	36.2	0%	0	20%	0.201	C	C	.	.			trans	-163.2	37.8	-161.9	-26.8	0	0	0	0	115.3	E1249 L1267 Y1271 S1529 P1530 R1536	E1249-T1533 HydrophobicContact CB-CG2 4.06Å; E1249-T1533 WeakPolarHBondContact CB-OG1 3.34Å; E1249-T1533 HydrophobicContact CG-CG2 3.75Å; L1267-T1533 PolarHBondContact O-N 3.17Å; Y1271-T1533 WeakPolarHBondContact CB-OG1 3.4Å; Y1271-T1533 HydrophobicContact CD1-CG2 3.38Å; Y1271-T1533 WeakPolarHBondContact CD1-OG1 3.42Å; Y1271-T1533 HydrophobicContact CE1-CG2 3.95Å; Y1271-T1533 HydrophobicContact CG-CG2 4.25Å; S1529-T1533 VanDerWaalsContact CB-O 3.3Å; S1529-T1533 WeakPolarHBondContact CB-O 3.44Å; S1529-T1533 PolarHBondContact OG-O 3.28Å; P1530-T1533 VanDerWaalsContact CG-CB 3.43Å; P1530-T1533 VanDerWaalsContact CG-N 3.28Å; P1530-T1533 WeakPolarHBondContact CG-OG1 3.31Å; P1530-T1533 PolarHBondContact O-N 3.35Å; P1530-T1533 VanDerWaalsContact O-N 3.12Å; T1533-R1536 HydrophobicContact CG2-CB 3.93Å; T1533-R1536 HydrophobicContact CG2-CG 3.56Å; T1533-R1536 VanDerWaalsContact CG2-NE 3.3Å; T1533-R1536 PolarHBondContact O-N 3.4Å
1534	P	58.1	Low	55.8	Low	9 Å²	9	31.3 Å²	31.3	6%	0.058	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-43.4	150.3	172.3	-31.4	40.3	0	0	0	113.6	L1267 E1268 D1269 C1519 D1527 P1530 R1536	L1267-P1534 VanDerWaalsContact O-CD 3.24Å; L1267-P1534 WeakPolarHBondContact O-CD 3.35Å; E1268-P1534 VanDerWaalsContact C-CD 3.44Å; E1268-P1534 VanDerWaalsContact C-CG 3.48Å; E1268-P1534 HydrophobicContact CG-CG 4.19Å; E1268-P1534 WeakPolarHBondContact O-CB 3.19Å; D1269-P1534 CarbonylContact C-O 3.56Å; D1269-P1534 WeakPolarHBondContact CA-O 3.41Å; D1269-P1534 VanDerWaalsContact O-O 3.06Å; C1519-P1534 CarbonylContact O-C 3.54Å; C1519-P1534 VanDerWaalsContact O-C 3.29Å; D1527-P1534 HydrophobicContact CB-CB 3.98Å; D1527-P1534 HydrophobicContact CB-CG 4.2Å; D1527-P1534 WeakPolarHBondContact OD1-CA 2.96Å; P1530-P1534 WeakPolarHBondContact O-CD 3.4Å; P1534-R1536 VanDerWaalsContact C-N 3.3Å; P1534-R1536 PolarHBondContact O-N 3.06Å
1535	G	65.4	Low	55.8	Low	0 Å²	0	37.4 Å²	37.4	0%	0	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	83	-23.9	-174.4	0	0	0	0	0	116.5	S1504 A1507 C1519 D1527 C1538	S1504-G1535 WeakPolarHBondContact CA-O 3.17Å; S1504-G1535 WeakPolarHBondContact CB-O 3.43Å; S1504-G1535 PolarHBondContact N-O 2.64Å; A1507-G1535 WeakPolarHBondContact CB-O 2.96Å; C1519-G1535 VanDerWaalsContact CB-C 3.48Å; C1519-G1535 VanDerWaalsContact CB-CA 3.47Å; C1519-G1535 WeakPolarHBondContact O-CA 3.48Å; C1519-G1535 PolarHBondContact O-N 2.94Å; D1527-G1535 PolarHBondContact OD1-N 3.13Å; G1535-C1538 VanDerWaalsContact C-SG 3.58Å; G1535-C1538 WeakPolarHBondContact CA-SG 3.43Å; G1535-C1538 PolarHBondContact O-SG 3.49Å
1536	R	68.7	Low	55.9	Low	12 Å²	12	37.9 Å²	37.9	5%	0.045	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-23	-172.6	-73.9	-157.9	-162.4	-160.5	-3.6	115.2	E1249 Y1271 D1502 S1504 Y1517 C1519 S1529 T1533 P1534	E1249-R1536 VanDerWaalsContact CD-CB 3.49Å; E1249-R1536 HydrophobicContact CG-CB 3.71Å; E1249-R1536 WeakPolarHBondContact OE2-CB 3.41Å; Y1271-R1536 VanDerWaalsContact CE1-CZ 3.44Å; Y1271-R1536 PolarHBondContact OH-NH1 3.41Å; D1502-R1536 HydrophobicContact CB-CG 4.37Å; D1502-R1536 VanDerWaalsContact CB-CZ 3.49Å; D1502-R1536 WeakPolarHBondContact O-CB 3.13Å; D1502-R1536 WeakPolarHBondContact O-CD 3.16Å; D1502-R1536 VanDerWaalsContact O-CG 3.28Å; D1502-R1536 WeakPolarHBondContact O-CG 3.31Å; D1502-R1536 IonicContact OD2-CZ 3.08Å; D1502-R1536 IonicContact OD2-NH1 3.98Å; D1502-R1536 PolarHBondContact OD2-NH1 2.86Å; D1502-R1536 IonicContact OD2-NH2 3.67Å; D1502-R1536 PolarHBondContact OD2-NH2 3.34Å; S1504-R1536 WeakPolarHBondContact CA-O 3.38Å; S1504-R1536 WeakPolarHBondContact CB-O 3.41Å; S1504-R1536 VanDerWaalsContact N-C 3.29Å; S1504-R1536 VanDerWaalsContact N-CA 3.35Å; S1504-R1536 PolarHBondContact N-O 3.22Å; Y1517-R1536 PolarHBondContact OH-NH2 3.07Å; Y1517-R1536 VanDerWaalsContact OH-NH2 3.1Å; C1519-R1536 HydrophobicContact CB-CG 4.28Å; S1529-R1536 PolarHBondContact OG-N 3.44Å; T1533-R1536 HydrophobicContact CG2-CB 3.93Å; T1533-R1536 HydrophobicContact CG2-CG 3.56Å; T1533-R1536 VanDerWaalsContact CG2-NE 3.3Å; T1533-R1536 PolarHBondContact O-N 3.4Å; P1534-R1536 VanDerWaalsContact C-N 3.3Å; P1534-R1536 PolarHBondContact O-N 3.06Å
1537	K	60.4	Low	55.4	Low	7 Å²	7	40 Å²	40	3%	0.03	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-152.8	66.2	-179.7	-156.2	170	175.5	-162.2	0	106.9	P1245 L1246 V1247 E1249 H1254 L1255 S1529 V1539	P1245-K1537 HydrophobicContact CB-CD 3.95Å; P1245-K1537 HydrophobicContact CB-CG 3.5Å; P1245-K1537 VanDerWaalsContact CB-CG 3.5Å; P1245-K1537 HydrophobicContact CG-CD 4.09Å; P1245-K1537 HydrophobicContact CG-CG 3.81Å; P1245-K1537 CarbonylContact O-C 3.53Å; P1245-K1537 VanDerWaalsContact O-CA 3.3Å; P1245-K1537 WeakPolarHBondContact O-CA 3.21Å; P1245-K1537 VanDerWaalsContact O-CG 3.31Å; P1245-K1537 WeakPolarHBondContact O-CG 3.03Å; L1246-K1537 CarbonylContact C-O 3.36Å; L1246-K1537 WeakPolarHBondContact CA-O 3.43Å; V1247-K1537 HydrophobicContact CB-CD 3.7Å; V1247-K1537 VanDerWaalsContact CB-CE 3.49Å; V1247-K1537 HydrophobicContact CB-CG 4.11Å; V1247-K1537 HydrophobicContact CG2-CD 4.27Å; V1247-K1537 HydrophobicContact CG2-CG 4.44Å; V1247-K1537 VanDerWaalsContact N-CG 3.32Å; V1247-K1537 PolarHBondContact N-O 3.12Å; V1247-K1537 VanDerWaalsContact O-CB 3.29Å; V1247-K1537 WeakPolarHBondContact O-CB 3.35Å; V1247-K1537 WeakPolarHBondContact O-CD 3.43Å; E1249-K1537 WeakPolarHBondContact OE1-CB 3.38Å; E1249-K1537 WeakPolarHBondContact OE1-CD 3.32Å; H1254-K1537 PolarHBondContact NE2-NZ 2.96Å; H1254-K1537 VanDerWaalsContact NE2-NZ 3.17Å; L1255-K1537 HydrophobicContact CD1-CD 3.5Å; L1255-K1537 VanDerWaalsContact CD1-CE 3.4Å; L1255-K1537 HydrophobicContact CD2-CD 3.74Å; L1255-K1537 HydrophobicContact CD2-CG 4.45Å; L1255-K1537 HydrophobicContact CG-CD 4.21Å; S1529-K1537 WeakPolarHBondContact OG-CA 3.44Å; S1529-K1537 PolarHBondContact OG-N 3.3Å; S1529-K1537 PolarHBondContact OG-O 3.32Å; K1537-V1539 PolarHBondContact O-N 2.92Å
1538	C	58.9	Low	55.1	Low	0 Å²	0	43 Å²	43	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	101.7	-175.8	-74.7	0	0	0	0	114.2	L1246 S1504 A1506 C1521 Y1525 G1535 R1540	L1246-C1538 WeakPolarHBondContact CD2-O 3.38Å; S1504-C1538 PolarHBondContact OG-N 2.84Å; A1506-C1538 HydrophobicContact CB-CB 4.1Å; C1521-C1538 WeakPolarHBondContact CA-SG 3.35Å; C1521-C1538 HydrophobicContact CB-CB 3.9Å; C1521-C1538 WeakPolarHBondContact CB-SG 3.42Å; C1521-C1538 WeakPolarHBondContact SG-CA 3.32Å; C1521-C1538 WeakPolarHBondContact SG-CB 3.45Å; C1521-C1538 CovalentContact SG-SG 2.02Å; C1521-C1538 PolarHBondContact SG-SG 3.21Å; Y1525-C1538 HydrophobicContact CD1-CB 4.43Å; Y1525-C1538 WeakPolarHBondContact CD1-O 3.02Å; G1535-C1538 VanDerWaalsContact C-SG 3.58Å; G1535-C1538 WeakPolarHBondContact CA-SG 3.43Å; G1535-C1538 PolarHBondContact O-SG 3.49Å; C1538-R1540 PolarHBondContact O-N 3.04Å
1539	V	55.8	Low	54.5	Low	11 Å²	11	44.8 Å²	44.8	7%	0.067	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.9	133.5	175.6	-165.8	0	0	0	0	110.6	L1246 Y1525 V1526 H1528 K1537 A1541	L1246-V1539 HydrophobicContact CB-CB 3.74Å; L1246-V1539 HydrophobicContact CB-CG1 3.85Å; L1246-V1539 HydrophobicContact CB-CG2 3.63Å; L1246-V1539 HydrophobicContact CD1-CB 4.36Å; L1246-V1539 HydrophobicContact CD1-CG1 3.86Å; L1246-V1539 VanDerWaalsContact CD2-CA 3.47Å; L1246-V1539 HydrophobicContact CG-CB 4.39Å; L1246-V1539 HydrophobicContact CG-CG1 4.36Å; L1246-V1539 WeakPolarHBondContact O-CG2 3.2Å; Y1525-V1539 CarbonylContact C-O 3.59Å; Y1525-V1539 VanDerWaalsContact C-O 3.31Å; Y1525-V1539 WeakPolarHBondContact CA-O 3.16Å; Y1525-V1539 WeakPolarHBondContact CB-O 3.26Å; Y1525-V1539 VanDerWaalsContact CD1-C 3.5Å; Y1525-V1539 WeakPolarHBondContact CD1-O 3.36Å; V1526-V1539 HydrophobicContact CG2-CB 3.88Å; V1526-V1539 HydrophobicContact CG2-CG1 4.42Å; V1526-V1539 HydrophobicContact CG2-CG2 4.28Å; V1526-V1539 PolarHBondContact N-O 3.04Å; V1526-V1539 WeakPolarHBondContact O-CA 3.44Å; V1526-V1539 WeakPolarHBondContact O-CB 3.11Å; V1526-V1539 VanDerWaalsContact O-CG2 3.23Å; V1526-V1539 WeakPolarHBondContact O-CG2 3.48Å; V1526-V1539 PolarHBondContact O-N 2.75Å; H1528-V1539 HydrophobicContact CB-CG2 3.29Å; H1528-V1539 WeakPolarHBondContact CD2-CG2 3.17Å; H1528-V1539 WeakPolarHBondContact ND1-CG2 3.48Å; K1537-V1539 PolarHBondContact O-N 2.92Å; V1539-A1541 VanDerWaalsContact C-N 3.26Å; V1539-A1541 PolarHBondContact O-N 3.42Å
1540	R	45.7	Very low	54.3	Low	133 Å²	133	45.8 Å²	45.8	50%	0.502	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.3	101.8	158	-175.5	175.7	-81.3	-157.7	3.6	106.4	Y1525 C1538 N1542	Y1525-R1540 HydrophobicContact CD1-CB 3.87Å; Y1525-R1540 HydrophobicContact CD1-CG 4.48Å; Y1525-R1540 VanDerWaalsContact CD1-N 3.33Å; Y1525-R1540 HydrophobicContact CE1-CB 3.49Å; Y1525-R1540 VanDerWaalsContact CE1-CB 3.49Å; Y1525-R1540 HydrophobicContact CE1-CG 4Å; Y1525-R1540 PolarHBondContact OH-NE 2.03Å; Y1525-R1540 VanDerWaalsContact OH-NE 3.07Å; Y1525-R1540 PolarHBondContact OH-NH2 3.21Å; C1538-R1540 PolarHBondContact O-N 3.04Å; R1540-N1542 HydrophobicContact CG-CB 4.49Å; R1540-N1542 PolarHBondContact O-N 2.9Å
1541	A	47.9	Very low	54.5	Low	6 Å²	6	49.4 Å²	49.4	5%	0.05	26%	0.255	C	S	.	.			trans	-61.2	87.1	176.9	0	0	0	0	0	108.1	G1524 V1526 V1539 K1560	G1524-A1541 WeakPolarHBondContact O-CB 3.43Å; G1524-A1541 PolarHBondContact O-N 3.29Å; G1524-A1541 VanDerWaalsContact O-N 3.12Å; V1526-A1541 HydrophobicContact CB-CB 3.82Å; V1526-A1541 HydrophobicContact CG1-CB 3.5Å; V1526-A1541 VanDerWaalsContact CG1-CB 3.5Å; V1526-A1541 HydrophobicContact CG2-CB 3.54Å; V1539-A1541 VanDerWaalsContact C-N 3.26Å; V1539-A1541 PolarHBondContact O-N 3.42Å; A1541-K1560 PolarHBondContact O-NZ 3.33Å
1542	N	47.4	Very low	55.3	Low	55 Å²	55	46.4 Å²	46.4	29%	0.294	24%	0.236	S	C	.	.			trans	-129.2	86.8	172.9	-161.9	38.6	0	0	0	103	R1540 C1544 R1545	R1540-N1542 HydrophobicContact CG-CB 4.49Å; R1540-N1542 PolarHBondContact O-N 2.9Å; N1542-C1544 PolarHBondContact O-N 3.25Å; N1542-C1544 WeakPolarHBondContact OD1-CB 3.43Å; N1542-R1545 HydrophobicContact CB-CB 4.45Å; N1542-R1545 PolarHBondContact O-N 2.61Å
1543	E	54	Low	55.8	Low	39 Å²	39	46.2 Å²	46.2	18%	0.182	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64	26.4	174.3	-52.1	90.5	144.9	0	0	112	N1550 C1558 K1560 Y1565	E1543-N1550 WeakPolarHBondContact O-CA 3.26Å; E1543-N1550 WeakPolarHBondContact O-CB 3.29Å; E1543-N1550 VanDerWaalsContact O-CG 3.29Å; E1543-N1550 PolarHBondContact O-OD1 2.9Å; E1543-C1558 PolarHBondContact O-SG 2.66Å; E1543-K1560 IonicContact OE1-NZ 2.66Å; E1543-K1560 PolarHBondContact OE1-NZ 3.1Å; E1543-K1560 WeakPolarHBondContact OE2-CG 3.34Å; E1543-K1560 IonicContact OE2-NZ 2.73Å; E1543-K1560 PolarHBondContact OE2-NZ 2.77Å; E1543-Y1565 HydrophobicContact CB-CD1 3.42Å; E1543-Y1565 VanDerWaalsContact CB-CD1 3.42Å; E1543-Y1565 HydrophobicContact CB-CE1 4.15Å; E1543-Y1565 HydrophobicContact CB-CG 3.81Å; E1543-Y1565 HydrophobicContact CG-CD1 4.11Å
1544	C	53	Low	56.1	Low	26 Å²	26	56.9 Å²	56.9	18%	0.176	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-141.9	-14.4	-163.7	-61	0	0	0	0	111.4	N1542 N1550 C1558	N1542-C1544 PolarHBondContact O-N 3.25Å; N1542-C1544 WeakPolarHBondContact OD1-CB 3.43Å; C1544-N1550 VanDerWaalsContact C-ND2 3.32Å; C1544-N1550 WeakPolarHBondContact CA-ND2 3.41Å; C1544-N1550 PolarHBondContact O-ND2 3.04Å; C1544-C1558 WeakPolarHBondContact CA-SG 3.45Å; C1544-C1558 HydrophobicContact CB-CB 3.32Å; C1544-C1558 WeakPolarHBondContact CB-SG 3.39Å; C1544-C1558 WeakPolarHBondContact SG-CB 3.28Å; C1544-C1558 PolarHBondContact SG-O 3.47Å; C1544-C1558 VanDerWaalsContact SG-O 3.42Å; C1544-C1558 CovalentContact SG-SG 2.03Å; C1544-C1558 PolarHBondContact SG-SG 2.89Å
1545	R	48	Very low	56.6	Low	169 Å²	169	59.2 Å²	59.2	64%	0.638	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.2	-46.6	172	-96.8	-175.2	178.4	-178.5	-4.2	112.2	N1542 P1547	N1542-R1545 HydrophobicContact CB-CB 4.45Å; N1542-R1545 PolarHBondContact O-N 2.61Å; R1545-P1547 WeakPolarHBondContact O-CD 3.23Å
1546	D	51.9	Low	56.8	Low	47 Å²	47	59.9 Å²	59.9	25%	0.251	30%	0.296	S	S	.	.			trans	-72.5	110.4	179	-175.7	-34.2	0	0	0	111.5	H1528 T1548 L1549 N1550	H1528-D1546 IonicContact CE1-OD2 2.73Å; H1528-D1546 PolarHBondContact CE1-OD2 2.83Å; D1546-T1548 PolarHBondContact O-N 2.94Å; D1546-T1548 WeakPolarHBondContact OD1-CA 3.36Å; D1546-T1548 WeakPolarHBondContact OD1-CB 3.28Å; D1546-T1548 PolarHBondContact OD1-N 2.84Å; D1546-T1548 PolarHBondContact OD1-OG1 2.89Å; D1546-L1549 PolarHBondContact O-N 3.15Å; D1546-N1550 WeakPolarHBondContact O-CA 3.05Å; D1546-N1550 WeakPolarHBondContact O-CB 3.43Å; D1546-N1550 PolarHBondContact O-N 3.08Å
1547	P	50.7	Low	56.7	Low	101 Å²	101	64 Å²	64	66%	0.656	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.2	-2.1	-174.7	33.6	-37.3	0	0	0	114.5	R1545	R1545-P1547 WeakPolarHBondContact O-CD 3.23Å
1548	T	51.5	Low	57.2	Low	120 Å²	120	64.7 Å²	64.7	74%	0.736	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.6	-30.6	174	72.7	0	0	0	0	112	D1546	D1546-T1548 PolarHBondContact O-N 2.94Å; D1546-T1548 WeakPolarHBondContact OD1-CA 3.36Å; D1546-T1548 WeakPolarHBondContact OD1-CB 3.28Å; D1546-T1548 PolarHBondContact OD1-N 2.84Å; D1546-T1548 PolarHBondContact OD1-OG1 2.89Å
1549	L	49.6	Very low	57.4	Low	89 Å²	89	66.7 Å²	66.7	47%	0.466	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.4	-29.9	178.1	-69.1	165.7	0	0	0	112.4	H1528 D1546 Y1565	H1528-L1549 WeakPolarHBondContact CE1-CD1 3.42Å; H1528-L1549 WeakPolarHBondContact NE2-CD1 3.35Å; D1546-L1549 PolarHBondContact O-N 3.15Å; L1549-Y1565 VanDerWaalsContact O-CE1 3.22Å; L1549-Y1565 WeakPolarHBondContact O-CE1 3.11Å; L1549-Y1565 PolarHBondContact O-OH 2.94Å
1550	N	51.9	Low	57.1	Low	26 Å²	26	70.6 Å²	70.6	14%	0.139	35%	0.353	C	S	.	.			trans	-83.9	111.8	172.9	-178.9	16.6	0	0	0	111	E1543 C1544 D1546 C1552	E1543-N1550 WeakPolarHBondContact O-CA 3.26Å; E1543-N1550 WeakPolarHBondContact O-CB 3.29Å; E1543-N1550 VanDerWaalsContact O-CG 3.29Å; E1543-N1550 PolarHBondContact O-OD1 2.9Å; C1544-N1550 VanDerWaalsContact C-ND2 3.32Å; C1544-N1550 WeakPolarHBondContact CA-ND2 3.41Å; C1544-N1550 PolarHBondContact O-ND2 3.04Å; D1546-N1550 WeakPolarHBondContact O-CA 3.05Å; D1546-N1550 WeakPolarHBondContact O-CB 3.43Å; D1546-N1550 PolarHBondContact O-N 3.08Å; N1550-C1552 WeakPolarHBondContact OD1-CA 3.38Å; N1550-C1552 WeakPolarHBondContact OD1-CB 3.47Å; N1550-C1552 PolarHBondContact OD1-N 3.31Å; N1550-C1552 PolarHBondContact OD1-SG 3.31Å
1551	N	62.9	Low	57.4	Low	77 Å²	77	68.6 Å²	68.6	41%	0.412	35%	0.351	S	S	.	.			trans	-95.1	3.8	170.6	71.8	15.9	0	0	0	113.5	Y1565 V1585	N1551-Y1565 PolarHBondContact N-OH 2.55Å; N1551-Y1565 PolarHBondContact ND2-OH 3.08Å; N1551-Y1565 WeakPolarHBondContact OD1-CE2 3.23Å; N1551-Y1565 PolarHBondContact OD1-OH 2.89Å; N1551-V1585 HydrophobicContact CB-CG1 4.17Å; N1551-V1585 WeakPolarHBondContact O-CA 2.97Å; N1551-V1585 VanDerWaalsContact O-CG1 3.24Å; N1551-V1585 WeakPolarHBondContact O-CG1 3.47Å; N1551-V1585 WeakPolarHBondContact OD1-CG2 2.99Å
1552	C	66.6	Low	57.5	Low	16 Å²	16	75.5 Å²	75.5	11%	0.108	39%	0.393	C	S	.	.			trans	-62.1	144.8	176.7	-56.2	0	0	0	0	112	N1550 A1556 C1558 Y1565 C1567	N1550-C1552 WeakPolarHBondContact OD1-CA 3.38Å; N1550-C1552 WeakPolarHBondContact OD1-CB 3.47Å; N1550-C1552 PolarHBondContact OD1-N 3.31Å; N1550-C1552 PolarHBondContact OD1-SG 3.31Å; C1552-A1556 HydrophobicContact CB-CB 4.09Å; C1552-C1558 HydrophobicContact CB-CB 3.91Å; C1552-C1558 WeakPolarHBondContact SG-CB 3.5Å; C1552-C1558 PolarHBondContact SG-SG 2.88Å; C1552-Y1565 VanDerWaalsContact SG-CD2 3.6Å; C1552-C1567 WeakPolarHBondContact CA-SG 3.49Å; C1552-C1567 HydrophobicContact CB-CB 3.54Å; C1552-C1567 WeakPolarHBondContact CB-SG 3.39Å; C1552-C1567 WeakPolarHBondContact SG-CB 3.49Å; C1552-C1567 CovalentContact SG-SG 2.01Å; C1552-C1567 PolarHBondContact SG-SG 2.8Å
1553	S	64	Low	57.3	Low	28 Å²	28	79.2 Å²	79.2	20%	0.196	42%	0.417	C	S	.	.			trans	-65.2	152.2	177.6	-161.4	0	0	0	0	111.7	N1555 A1556 G1584 V1585 C1587	S1553-N1555 PolarHBondContact O-N 3.15Å; S1553-A1556 VanDerWaalsContact O-CB 3.25Å; S1553-A1556 WeakPolarHBondContact O-CB 3.25Å; S1553-A1556 PolarHBondContact O-N 2.91Å; S1553-G1584 PolarHBondContact N-O 2.83Å; S1553-V1585 WeakPolarHBondContact CB-O 3.22Å; S1553-V1585 PolarHBondContact N-O 2.97Å; S1553-C1587 PolarHBondContact OG-N 3.02Å; S1553-C1587 VanDerWaalsContact OG-N 3.17Å; S1553-C1587 PolarHBondContact OG-O 3.46Å
1554	R	66.8	Low	57.1	Low	223 Å²	223	79.3 Å²	79.3	84%	0.842	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-17.6	170.7	-73.9	-172.9	175.2	-169.6	-3.1	113.7
1555	N	66.7	Low	57.3	Low	58 Å²	58	80.6 Å²	80.6	31%	0.31	43%	0.43	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.9	14.9	173.6	-44	-56.1	0	0	0	113.2	S1553 L1570 F1573 C1587	S1553-N1555 PolarHBondContact O-N 3.15Å; N1555-L1570 WeakPolarHBondContact O-CB 3.33Å; N1555-L1570 WeakPolarHBondContact O-CG 3.23Å; N1555-L1570 PolarHBondContact O-N 2.71Å; N1555-F1573 HydrophobicContact CB-CD1 3.34Å; N1555-F1573 HydrophobicContact CB-CD2 4.26Å; N1555-F1573 HydrophobicContact CB-CE1 3.43Å; N1555-F1573 VanDerWaalsContact CB-CE1 3.43Å; N1555-F1573 HydrophobicContact CB-CE2 4.33Å; N1555-F1573 HydrophobicContact CB-CG 3.8Å; N1555-F1573 HydrophobicContact CB-CZ 3.94Å; N1555-C1587 HydrophobicContact CB-CB 3.94Å; N1555-C1587 PolarHBondContact ND2-O 2.81Å; N1555-C1587 WeakPolarHBondContact O-CB 2.94Å
1556	A	69.8	Low	57.9	Low	15 Å²	15	73.6 Å²	73.6	12%	0.124	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	134.7	174.4	0	0	0	0	0	110.3	C1552 S1553 C1558 C1567 E1568 G1584 C1587	C1552-A1556 HydrophobicContact CB-CB 4.09Å; S1553-A1556 VanDerWaalsContact O-CB 3.25Å; S1553-A1556 WeakPolarHBondContact O-CB 3.25Å; S1553-A1556 PolarHBondContact O-N 2.91Å; A1556-C1558 PolarHBondContact O-N 2.66Å; A1556-C1558 VanDerWaalsContact O-N 3.13Å; A1556-C1567 HydrophobicContact CB-CB 3.97Å; A1556-E1568 CarbonylContact C-O 3.47Å; A1556-E1568 WeakPolarHBondContact CA-O 3.49Å; A1556-G1584 VanDerWaalsContact CB-O 3.23Å; A1556-G1584 WeakPolarHBondContact CB-O 3.35Å; A1556-C1587 HydrophobicContact CB-CB 4.36Å; A1556-C1587 WeakPolarHBondContact CB-SG 3.11Å
1557	L	67.3	Low	58.8	Low	99 Å²	99	71.4 Å²	71.4	52%	0.518	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	99.5	155.9	-170.3	73.2	0	0	0	107	T1559 E1568 L1570	L1557-T1559 HydrophobicContact CD2-CG2 3.97Å; L1557-T1559 HydrophobicContact CG-CG2 4.06Å; L1557-T1559 PolarHBondContact O-N 2.7Å; L1557-E1568 WeakPolarHBondContact CA-O 3.48Å; L1557-E1568 PolarHBondContact N-O 3.29Å; L1557-E1568 PolarHBondContact O-N 3.17Å; L1557-L1570 HydrophobicContact CB-CD2 3.92Å
1558	C	70.4	Confident	59.5	Low	20 Å²	20	72.5 Å²	72.5	14%	0.135	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.7	128.5	165.7	176.4	0	0	0	0	109.3	E1543 C1544 C1552 A1556	E1543-C1558 PolarHBondContact O-SG 2.66Å; C1544-C1558 WeakPolarHBondContact CA-SG 3.45Å; C1544-C1558 HydrophobicContact CB-CB 3.32Å; C1544-C1558 WeakPolarHBondContact CB-SG 3.39Å; C1544-C1558 WeakPolarHBondContact SG-CB 3.28Å; C1544-C1558 PolarHBondContact SG-O 3.47Å; C1544-C1558 VanDerWaalsContact SG-O 3.42Å; C1544-C1558 CovalentContact SG-SG 2.03Å; C1544-C1558 PolarHBondContact SG-SG 2.89Å; C1552-C1558 HydrophobicContact CB-CB 3.91Å; C1552-C1558 WeakPolarHBondContact SG-CB 3.5Å; C1552-C1558 PolarHBondContact SG-SG 2.88Å; A1556-C1558 PolarHBondContact O-N 2.66Å; A1556-C1558 VanDerWaalsContact O-N 3.13Å
1559	T	62.7	Low	60.5	Low	43 Å²	43	68.2 Å²	68.2	26%	0.264	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	126.4	177.6	66.5	0	0	0	0	109.6	L1557 L1561 S1566	L1557-T1559 HydrophobicContact CD2-CG2 3.97Å; L1557-T1559 HydrophobicContact CG-CG2 4.06Å; L1557-T1559 PolarHBondContact O-N 2.7Å; T1559-L1561 PolarHBondContact O-N 2.85Å; T1559-S1566 WeakPolarHBondContact CA-O 3.47Å; T1559-S1566 PolarHBondContact N-O 2.75Å; T1559-S1566 PolarHBondContact O-N 3.1Å; T1559-S1566 VanDerWaalsContact O-O 3.06Å; T1559-S1566 PolarHBondContact OG1-O 3.11Å
1560	K	51.4	Low	61.1	Low	93 Å²	93	67 Å²	67	40%	0.404	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	123.9	177.7	-174.8	-178.6	-178.3	91.6	0	109.9	A1541 E1543	A1541-K1560 PolarHBondContact O-NZ 3.33Å; E1543-K1560 IonicContact OE1-NZ 2.66Å; E1543-K1560 PolarHBondContact OE1-NZ 3.1Å; E1543-K1560 WeakPolarHBondContact OE2-CG 3.34Å; E1543-K1560 IonicContact OE2-NZ 2.73Å; E1543-K1560 PolarHBondContact OE2-NZ 2.77Å
1561	L	51.7	Low	61.3	Low	90 Å²	90	72.1 Å²	72.1	47%	0.471	40%	0.395	S	S	.	.			trans	-94.7	170.6	170.6	-63.4	-175.8	0	0	0	110.2	T1559 V1563 G1564	T1559-L1561 PolarHBondContact O-N 2.85Å; L1561-V1563 PolarHBondContact O-N 2.79Å; L1561-G1564 CarbonylContact C-O 3.03Å; L1561-G1564 WeakPolarHBondContact CA-O 3.45Å; L1561-G1564 WeakPolarHBondContact CB-O 3.04Å; L1561-G1564 PolarHBondContact N-O 2.71Å
1562	T	50.1	Low	60.7	Low	152 Å²	152	70.4 Å²	70.4	93%	0.933	40%	0.396	S	S	*	.	S	Bend	trans	-72.3	-7.3	176.5	54.6	0	0	0	0	113.8
1563	V	42.2	Very low	60.3	Low	133 Å²	133	71.7 Å²	71.7	81%	0.806	40%	0.4	S	S	*	.	S	Bend	trans	-148.3	107	167.7	-177.3	0	0	0	0	107.4	L1561	L1561-V1563 PolarHBondContact O-N 2.79Å
1564	G	49.6	Very low	60.2	Low	41 Å²	41	75.5 Å²	75.5	42%	0.423	41%	0.414	S	S	.	.	S	Bend	trans	71.7	-166.4	-173.6	0	0	0	0	0	113.5	L1561	L1561-G1564 CarbonylContact C-O 3.03Å; L1561-G1564 WeakPolarHBondContact CA-O 3.45Å; L1561-G1564 WeakPolarHBondContact CB-O 3.04Å; L1561-G1564 PolarHBondContact N-O 2.71Å
1565	Y	56.8	Low	60	Low	52 Å²	52	68.4 Å²	68.4	20%	0.204	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	159.9	-179	60.4	-87	0	0	0	112.1	E1543 L1549 N1551 C1552	E1543-Y1565 HydrophobicContact CB-CD1 3.42Å; E1543-Y1565 VanDerWaalsContact CB-CD1 3.42Å; E1543-Y1565 HydrophobicContact CB-CE1 4.15Å; E1543-Y1565 HydrophobicContact CB-CG 3.81Å; E1543-Y1565 HydrophobicContact CG-CD1 4.11Å; L1549-Y1565 VanDerWaalsContact O-CE1 3.22Å; L1549-Y1565 WeakPolarHBondContact O-CE1 3.11Å; L1549-Y1565 PolarHBondContact O-OH 2.94Å; N1551-Y1565 PolarHBondContact N-OH 2.55Å; N1551-Y1565 PolarHBondContact ND2-OH 3.08Å; N1551-Y1565 WeakPolarHBondContact OD1-CE2 3.23Å; N1551-Y1565 PolarHBondContact OD1-OH 2.89Å; C1552-Y1565 VanDerWaalsContact SG-CD2 3.6Å
1566	S	62.3	Low	60.1	Low	22 Å²	22	68.4 Å²	68.4	15%	0.154	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	123.2	175.3	178.6	0	0	0	0	109	T1559 P1583	T1559-S1566 WeakPolarHBondContact CA-O 3.47Å; T1559-S1566 PolarHBondContact N-O 2.75Å; T1559-S1566 PolarHBondContact O-N 3.1Å; T1559-S1566 VanDerWaalsContact O-O 3.06Å; T1559-S1566 PolarHBondContact OG1-O 3.11Å; S1566-P1583 WeakPolarHBondContact OG-CG 3.48Å
1567	C	69.8	Low	60	Low	2 Å²	2	68.5 Å²	68.5	1%	0.014	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	131.5	176.3	-31.1	0	0	0	0	109	C1552 A1556 P1583 G1584	C1552-C1567 WeakPolarHBondContact CA-SG 3.49Å; C1552-C1567 HydrophobicContact CB-CB 3.54Å; C1552-C1567 WeakPolarHBondContact CB-SG 3.39Å; C1552-C1567 WeakPolarHBondContact SG-CB 3.49Å; C1552-C1567 CovalentContact SG-SG 2.01Å; C1552-C1567 PolarHBondContact SG-SG 2.8Å; A1556-C1567 HydrophobicContact CB-CB 3.97Å; C1567-P1583 WeakPolarHBondContact CB-O 3.47Å; C1567-P1583 PolarHBondContact N-O 3.15Å; C1567-P1583 CarbonylContact O-C 3.43Å; C1567-P1583 WeakPolarHBondContact O-CB 3.02Å; C1567-P1583 PolarHBondContact SG-O 2.81Å; C1567-P1583 VanDerWaalsContact SG-O 3.41Å; C1567-G1584 VanDerWaalsContact CB-CA 3.43Å; C1567-G1584 WeakPolarHBondContact CB-O 3.22Å; C1567-G1584 PolarHBondContact O-N 3.04Å
1568	E	64.7	Low	59.5	Low	124 Å²	124	69 Å²	69	58%	0.579	40%	0.4	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-116.8	130.8	168.5	-67	-160.2	137.9	0	0	109.1	A1556 L1557 L1570	A1556-E1568 CarbonylContact C-O 3.47Å; A1556-E1568 WeakPolarHBondContact CA-O 3.49Å; L1557-E1568 WeakPolarHBondContact CA-O 3.48Å; L1557-E1568 PolarHBondContact N-O 3.29Å; L1557-E1568 PolarHBondContact O-N 3.17Å; E1568-L1570 PolarHBondContact O-N 3.35Å
1569	C	73.5	Confident	58.7	Low	29 Å²	29	71.7 Å²	71.7	20%	0.196	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66	137.8	-178.1	-60.2	0	0	0	0	112	F1573 D1575 C1587	C1569-F1573 HydrophobicContact CB-CB 4.02Å; C1569-F1573 WeakPolarHBondContact CB-O 3.44Å; C1569-D1575 WeakPolarHBondContact SG-CA 3.45Å; C1569-D1575 VanDerWaalsContact SG-CB 3.52Å; C1569-D1575 PolarHBondContact SG-N 3.17Å; C1569-C1587 WeakPolarHBondContact CA-SG 3.15Å; C1569-C1587 HydrophobicContact CB-CB 3.68Å; C1569-C1587 WeakPolarHBondContact CB-SG 3.25Å; C1569-C1587 VanDerWaalsContact SG-CA 3.55Å; C1569-C1587 WeakPolarHBondContact SG-CB 3.43Å; C1569-C1587 CovalentContact SG-SG 2.03Å; C1569-C1587 PolarHBondContact SG-SG 2.58Å
1570	L	62.6	Low	58.2	Low	64 Å²	64	75 Å²	75	34%	0.335	45%	0.447	S	S	.	.	P	Polyproline II helix	trans	-59.6	148.2	179	-71.4	168.5	0	0	0	110.7	N1555 L1557 E1568 G1572 F1573	N1555-L1570 WeakPolarHBondContact O-CB 3.33Å; N1555-L1570 WeakPolarHBondContact O-CG 3.23Å; N1555-L1570 PolarHBondContact O-N 2.71Å; L1557-L1570 HydrophobicContact CB-CD2 3.92Å; E1568-L1570 PolarHBondContact O-N 3.35Å; L1570-G1572 PolarHBondContact O-N 2.59Å; L1570-G1572 VanDerWaalsContact O-N 3.12Å; L1570-F1573 HydrophobicContact CB-CD2 3.97Å; L1570-F1573 HydrophobicContact CB-CE2 4.46Å; L1570-F1573 WeakPolarHBondContact O-CB 2.97Å; L1570-F1573 PolarHBondContact O-N 3.19Å
1571	P	54.3	Low	58.4	Low	133 Å²	133	75.9 Å²	75.9	86%	0.864	46%	0.46	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.1	120.7	178.7	-26.6	35.5	0	0	0	111.5
1572	G	51.6	Low	58.6	Low	42 Å²	42	77.3 Å²	77.3	43%	0.433	46%	0.463	S	S	.	.	T	Hydrogen-bonded Turn	trans	100.2	8.5	-168.9	0	0	0	0	0	114.6	L1570 F1589 P1590	L1570-G1572 PolarHBondContact O-N 2.59Å; L1570-G1572 VanDerWaalsContact O-N 3.12Å; G1572-F1589 WeakPolarHBondContact O-CA 2.99Å; G1572-F1589 WeakPolarHBondContact O-CD1 3.37Å; G1572-P1590 VanDerWaalsContact C-CD 3.5Å; G1572-P1590 WeakPolarHBondContact O-CD 2.98Å
1573	F	58.8	Low	59.1	Low	43 Å²	43	72 Å²	72	19%	0.189	43%	0.431	C	S	.	.			trans	-130.8	139.7	171.2	-61.9	-101.7	0	0	0	110.5	N1555 C1569 L1570 C1587 E1588 F1589	N1555-F1573 HydrophobicContact CB-CD1 3.34Å; N1555-F1573 HydrophobicContact CB-CD2 4.26Å; N1555-F1573 HydrophobicContact CB-CE1 3.43Å; N1555-F1573 VanDerWaalsContact CB-CE1 3.43Å; N1555-F1573 HydrophobicContact CB-CE2 4.33Å; N1555-F1573 HydrophobicContact CB-CG 3.8Å; N1555-F1573 HydrophobicContact CB-CZ 3.94Å; C1569-F1573 HydrophobicContact CB-CB 4.02Å; C1569-F1573 WeakPolarHBondContact CB-O 3.44Å; L1570-F1573 HydrophobicContact CB-CD2 3.97Å; L1570-F1573 HydrophobicContact CB-CE2 4.46Å; L1570-F1573 WeakPolarHBondContact O-CB 2.97Å; L1570-F1573 PolarHBondContact O-N 3.19Å; F1573-C1587 HydrophobicContact CB-CB 4.24Å; F1573-E1588 CarbonylContact C-O 3.57Å; F1573-E1588 WeakPolarHBondContact CA-O 3.32Å; F1573-E1588 VanDerWaalsContact CD1-C 3.48Å; F1573-F1589 HydrophobicContact CD1-CD1 4.48Å; F1573-F1589 HydrophobicContact CD1-CD2 4.24Å; F1573-F1589 HydrophobicContact CD1-CE2 4.49Å; F1573-F1589 HydrophobicContact CD1-CG 4.24Å; F1573-F1589 HydrophobicContact CE1-CD1 4.14Å; F1573-F1589 AromaticContact CE1-CD2 3.59Å; F1573-F1589 HydrophobicContact CE1-CD2 3.59Å; F1573-F1589 HydrophobicContact CE1-CE1 4.02Å; F1573-F1589 AromaticContact CE1-CE2 3.46Å; F1573-F1589 HydrophobicContact CE1-CE2 3.46Å; F1573-F1589 VanDerWaalsContact CE1-CE2 3.46Å; F1573-F1589 AromaticContact CE1-CG 3.94Å; F1573-F1589 HydrophobicContact CE1-CG 3.94Å; F1573-F1589 AromaticContact CE1-CZ 3.7Å; F1573-F1589 HydrophobicContact CE1-CZ 3.7Å; F1573-F1589 HydrophobicContact CE2-CD1 4.44Å; F1573-F1589 AromaticContact CE2-CE1 3.95Å; F1573-F1589 HydrophobicContact CE2-CE1 3.95Å; F1573-F1589 HydrophobicContact CE2-CZ 4.08Å; F1573-F1589 HydrophobicContact CZ-CD1 4.12Å; F1573-F1589 HydrophobicContact CZ-CD2 4.11Å; F1573-F1589 AromaticContact CZ-CE1 3.59Å; F1573-F1589 HydrophobicContact CZ-CE1 3.59Å; F1573-F1589 AromaticContact CZ-CE2 3.58Å; F1573-F1589 HydrophobicContact CZ-CE2 3.58Å; F1573-F1589 HydrophobicContact CZ-CG 4.36Å; F1573-F1589 AromaticContact CZ-CZ 3.29Å; F1573-F1589 HydrophobicContact CZ-CZ 3.29Å
1574	E	60.2	Low	60.1	Low	108 Å²	108	65.7 Å²	65.7	51%	0.505	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	143.7	173.5	-104	179.8	172.1	0	0	111.4	C1587 E1588 P1590	E1574-C1587 WeakPolarHBondContact O-CA 2.98Å; E1574-E1588 PolarHBondContact N-O 2.65Å; E1574-E1588 PolarHBondContact O-N 2.94Å; E1574-E1588 VanDerWaalsContact O-N 3.12Å; E1574-P1590 HydrophobicContact CB-CB 4.44Å; E1574-P1590 HydrophobicContact CG-CB 4.01Å
1575	D	63.7	Low	61.1	Low	74 Å²	74	65.1 Å²	65.1	40%	0.396	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	123.9	177.1	-177	5.7	0	0	0	111.8	C1569 S1577 P1583 G1584	C1569-D1575 WeakPolarHBondContact SG-CA 3.45Å; C1569-D1575 VanDerWaalsContact SG-CB 3.52Å; C1569-D1575 PolarHBondContact SG-N 3.17Å; D1575-S1577 VanDerWaalsContact OD1-CB 3.23Å; D1575-S1577 WeakPolarHBondContact OD1-CB 2.99Å; D1575-S1577 PolarHBondContact OD1-N 3.28Å; D1575-S1577 PolarHBondContact OD1-OG 3.38Å; D1575-P1583 WeakPolarHBondContact OD2-CA 3.36Å; D1575-P1583 WeakPolarHBondContact OD2-CB 3.24Å; D1575-G1584 PolarHBondContact OD1-N 3.02Å; D1575-G1584 PolarHBondContact OD2-N 3.46Å
1576	K	69.1	Low	61.7	Low	57 Å²	57	64.9 Å²	64.9	25%	0.248	39%	0.385	C	S	.	.			trans	-129.7	24.6	-176.4	-52.6	-173.4	-163.5	164	0	112.1	V1586 E1588 P1604	K1576-V1586 HydrophobicContact CB-CG1 4.32Å; K1576-V1586 PolarHBondContact N-O 2.94Å; K1576-E1588 IonicContact NZ-OE2 2.71Å; K1576-E1588 PolarHBondContact NZ-OE2 2.79Å; K1576-P1604 HydrophobicContact CD-CB 3.92Å; K1576-P1604 HydrophobicContact CD-CG 3.43Å; K1576-P1604 VanDerWaalsContact CD-CG 3.43Å
1577	S	66.4	Low	61.8	Low	17 Å²	17	63.9 Å²	63.9	12%	0.119	38%	0.378	C	S	.	.			trans	-63.1	144.3	-176.6	-55.5	0	0	0	0	112.7	D1575 T1579 F1582 G1584 V1585 V1586	D1575-S1577 VanDerWaalsContact OD1-CB 3.23Å; D1575-S1577 WeakPolarHBondContact OD1-CB 2.99Å; D1575-S1577 PolarHBondContact OD1-N 3.28Å; D1575-S1577 PolarHBondContact OD1-OG 3.38Å; S1577-T1579 PolarHBondContact O-N 3.3Å; S1577-F1582 WeakPolarHBondContact CB-O 2.98Å; S1577-G1584 WeakPolarHBondContact OG-CA 3.21Å; S1577-G1584 PolarHBondContact OG-N 2.76Å; S1577-V1585 WeakPolarHBondContact OG-CA 3.46Å; S1577-V1585 WeakPolarHBondContact OG-CB 3.16Å; S1577-V1585 PolarHBondContact OG-N 2.84Å; S1577-V1586 PolarHBondContact OG-N 3.14Å
1578	P	58.2	Low	61.3	Low	111 Å²	111	66.2 Å²	66.2	72%	0.721	39%	0.388	S	S	*	.	S	Bend	trans	-63.4	-18.2	-165.9	-26.5	36	0	0	0	116.5
1579	T	53.5	Low	60.8	Low	76 Å²	76	66.8 Å²	66.8	47%	0.466	39%	0.389	S	S	.	.	S	Bend	trans	-145.2	137.4	173	59.1	0	0	0	0	111.1	S1577 T1581 F1582	S1577-T1579 PolarHBondContact O-N 3.3Å; T1579-T1581 PolarHBondContact O-N 2.9Å; T1579-T1581 PolarHBondContact OG1-OG1 3.2Å; T1579-F1582 PolarHBondContact O-N 2.82Å
1580	A	50.8	Low	59.5	Low	113 Å²	113	68.4 Å²	68.4	93%	0.934	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.5	13	-178.5	0	0	0	0	0	115.6
1581	T	56.1	Low	58.5	Low	111 Å²	111	70.6 Å²	70.6	68%	0.681	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.1	-16.6	168.1	30.2	0	0	0	0	113.1	T1579	T1579-T1581 PolarHBondContact O-N 2.9Å; T1579-T1581 PolarHBondContact OG1-OG1 3.2Å
1582	F	56.5	Low	57.7	Low	120 Å²	120	70.2 Å²	70.2	53%	0.526	41%	0.405	S	S	.	.	S	Bend	trans	-130.2	86.3	173.8	-62.1	-75.2	0	0	0	107.6	S1577 T1579 V1585	S1577-F1582 WeakPolarHBondContact CB-O 2.98Å; T1579-F1582 PolarHBondContact O-N 2.82Å; F1582-V1585 HydrophobicContact CB-CG2 3.95Å; F1582-V1585 WeakPolarHBondContact O-CG2 3.35Å
1583	P	59.4	Low	56.9	Low	41 Å²	41	72.7 Å²	72.7	27%	0.266	42%	0.416	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.9	161.5	174.2	30.1	-35.1	0	0	0	111.7	S1566 C1567 D1575 V1585	S1566-P1583 WeakPolarHBondContact OG-CG 3.48Å; C1567-P1583 WeakPolarHBondContact CB-O 3.47Å; C1567-P1583 PolarHBondContact N-O 3.15Å; C1567-P1583 CarbonylContact O-C 3.43Å; C1567-P1583 WeakPolarHBondContact O-CB 3.02Å; C1567-P1583 PolarHBondContact SG-O 2.81Å; C1567-P1583 VanDerWaalsContact SG-O 3.41Å; D1575-P1583 WeakPolarHBondContact OD2-CA 3.36Å; D1575-P1583 WeakPolarHBondContact OD2-CB 3.24Å; P1583-V1585 VanDerWaalsContact C-N 3.26Å; P1583-V1585 PolarHBondContact O-N 2.81Å; P1583-V1585 VanDerWaalsContact O-N 3.08Å
1584	G	63.7	Low	55.5	Low	0 Å²	0	79.4 Å²	79.4	0%	0	45%	0.446	C	S	.	.	T	Hydrogen-bonded Turn	trans	56.5	10.9	173	0	0	0	0	0	119.4	S1553 A1556 C1567 D1575 S1577 V1586 C1587	S1553-G1584 PolarHBondContact N-O 2.83Å; A1556-G1584 VanDerWaalsContact CB-O 3.23Å; A1556-G1584 WeakPolarHBondContact CB-O 3.35Å; C1567-G1584 VanDerWaalsContact CB-CA 3.43Å; C1567-G1584 WeakPolarHBondContact CB-O 3.22Å; C1567-G1584 PolarHBondContact O-N 3.04Å; D1575-G1584 PolarHBondContact OD1-N 3.02Å; D1575-G1584 PolarHBondContact OD2-N 3.46Å; S1577-G1584 WeakPolarHBondContact OG-CA 3.21Å; S1577-G1584 PolarHBondContact OG-N 2.76Å; G1584-V1586 PolarHBondContact O-N 3.41Å; G1584-C1587 WeakPolarHBondContact CA-SG 2.95Å; G1584-C1587 PolarHBondContact O-SG 2.92Å
1585	V	70.4	Confident	54.1	Low	29 Å²	29	81.6 Å²	81.6	18%	0.176	46%	0.456	C	S	.	.	S	Bend	trans	-50.3	-36	162.3	-172.9	0	0	0	0	111	N1551 S1553 S1577 F1582 P1583	N1551-V1585 HydrophobicContact CB-CG1 4.17Å; N1551-V1585 WeakPolarHBondContact O-CA 2.97Å; N1551-V1585 VanDerWaalsContact O-CG1 3.24Å; N1551-V1585 WeakPolarHBondContact O-CG1 3.47Å; N1551-V1585 WeakPolarHBondContact OD1-CG2 2.99Å; S1553-V1585 WeakPolarHBondContact CB-O 3.22Å; S1553-V1585 PolarHBondContact N-O 2.97Å; S1577-V1585 WeakPolarHBondContact OG-CA 3.46Å; S1577-V1585 WeakPolarHBondContact OG-CB 3.16Å; S1577-V1585 PolarHBondContact OG-N 2.84Å; F1582-V1585 HydrophobicContact CB-CG2 3.95Å; F1582-V1585 WeakPolarHBondContact O-CG2 3.35Å; P1583-V1585 VanDerWaalsContact C-N 3.26Å; P1583-V1585 PolarHBondContact O-N 2.81Å; P1583-V1585 VanDerWaalsContact O-N 3.08Å
1586	V	69.3	Low	52.6	Low	47 Å²	47	85.9 Å²	85.9	29%	0.285	47%	0.474	S	S	.	.	S	Bend	trans	-130.4	117.9	174.3	-176.1	0	0	0	0	109.4	K1576 S1577 G1584 E1588	K1576-V1586 HydrophobicContact CB-CG1 4.32Å; K1576-V1586 PolarHBondContact N-O 2.94Å; S1577-V1586 PolarHBondContact OG-N 3.14Å; G1584-V1586 PolarHBondContact O-N 3.41Å; V1586-E1588 HydrophobicContact CG1-CG 4.36Å
1587	C	64.5	Low	50.9	Low	0 Å²	0	88.7 Å²	88.7	0%	0	50%	0.496	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	124.5	179.1	-66.5	0	0	0	0	110.6	S1553 N1555 A1556 C1569 F1573 E1574 G1584	S1553-C1587 PolarHBondContact OG-N 3.02Å; S1553-C1587 VanDerWaalsContact OG-N 3.17Å; S1553-C1587 PolarHBondContact OG-O 3.46Å; N1555-C1587 HydrophobicContact CB-CB 3.94Å; N1555-C1587 PolarHBondContact ND2-O 2.81Å; N1555-C1587 WeakPolarHBondContact O-CB 2.94Å; A1556-C1587 HydrophobicContact CB-CB 4.36Å; A1556-C1587 WeakPolarHBondContact CB-SG 3.11Å; C1569-C1587 WeakPolarHBondContact CA-SG 3.15Å; C1569-C1587 HydrophobicContact CB-CB 3.68Å; C1569-C1587 WeakPolarHBondContact CB-SG 3.25Å; C1569-C1587 VanDerWaalsContact SG-CA 3.55Å; C1569-C1587 WeakPolarHBondContact SG-CB 3.43Å; C1569-C1587 CovalentContact SG-SG 2.03Å; C1569-C1587 PolarHBondContact SG-SG 2.58Å; F1573-C1587 HydrophobicContact CB-CB 4.24Å; E1574-C1587 WeakPolarHBondContact O-CA 2.98Å; G1584-C1587 WeakPolarHBondContact CA-SG 2.95Å; G1584-C1587 PolarHBondContact O-SG 2.92Å
1588	E	61	Low	49.3	Very low	51 Å²	51	92.9 Å²	92.9	24%	0.238	52%	0.521	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	150.7	-175.7	-64.8	-176.4	158.7	0	0	110.6	F1573 E1574 K1576 V1586 P1604	F1573-E1588 CarbonylContact C-O 3.57Å; F1573-E1588 WeakPolarHBondContact CA-O 3.32Å; F1573-E1588 VanDerWaalsContact CD1-C 3.48Å; E1574-E1588 PolarHBondContact N-O 2.65Å; E1574-E1588 PolarHBondContact O-N 2.94Å; E1574-E1588 VanDerWaalsContact O-N 3.12Å; K1576-E1588 IonicContact NZ-OE2 2.71Å; K1576-E1588 PolarHBondContact NZ-OE2 2.79Å; V1586-E1588 HydrophobicContact CG1-CG 4.36Å; E1588-P1604 WeakPolarHBondContact OE1-CB 3.38Å; E1588-P1604 VanDerWaalsContact OE2-CB 3.27Å; E1588-P1604 WeakPolarHBondContact OE2-CB 2.91Å; E1588-P1604 VanDerWaalsContact OE2-CG 3.29Å; E1588-P1604 WeakPolarHBondContact OE2-CG 2.95Å
1589	F	54.1	Low	48.2	Very low	137 Å²	137	89.3 Å²	89.3	60%	0.601	49%	0.494	S	S	*	.			trans	-49	138.4	176.6	-70.4	-82.2	0	0	0	112.5	G1572 F1573 Q1591	G1572-F1589 WeakPolarHBondContact O-CA 2.99Å; G1572-F1589 WeakPolarHBondContact O-CD1 3.37Å; F1573-F1589 HydrophobicContact CD1-CD1 4.48Å; F1573-F1589 HydrophobicContact CD1-CD2 4.24Å; F1573-F1589 HydrophobicContact CD1-CE2 4.49Å; F1573-F1589 HydrophobicContact CD1-CG 4.24Å; F1573-F1589 HydrophobicContact CE1-CD1 4.14Å; F1573-F1589 AromaticContact CE1-CD2 3.59Å; F1573-F1589 HydrophobicContact CE1-CD2 3.59Å; F1573-F1589 HydrophobicContact CE1-CE1 4.02Å; F1573-F1589 AromaticContact CE1-CE2 3.46Å; F1573-F1589 HydrophobicContact CE1-CE2 3.46Å; F1573-F1589 VanDerWaalsContact CE1-CE2 3.46Å; F1573-F1589 AromaticContact CE1-CG 3.94Å; F1573-F1589 HydrophobicContact CE1-CG 3.94Å; F1573-F1589 AromaticContact CE1-CZ 3.7Å; F1573-F1589 HydrophobicContact CE1-CZ 3.7Å; F1573-F1589 HydrophobicContact CE2-CD1 4.44Å; F1573-F1589 AromaticContact CE2-CE1 3.95Å; F1573-F1589 HydrophobicContact CE2-CE1 3.95Å; F1573-F1589 HydrophobicContact CE2-CZ 4.08Å; F1573-F1589 HydrophobicContact CZ-CD1 4.12Å; F1573-F1589 HydrophobicContact CZ-CD2 4.11Å; F1573-F1589 AromaticContact CZ-CE1 3.59Å; F1573-F1589 HydrophobicContact CZ-CE1 3.59Å; F1573-F1589 AromaticContact CZ-CE2 3.58Å; F1573-F1589 HydrophobicContact CZ-CE2 3.58Å; F1573-F1589 HydrophobicContact CZ-CG 4.36Å; F1573-F1589 AromaticContact CZ-CZ 3.29Å; F1573-F1589 HydrophobicContact CZ-CZ 3.29Å; F1589-Q1591 PolarHBondContact O-N 3.35Å
1590	P	45.8	Very low	47.7	Very low	62 Å²	62	86.3 Å²	86.3	40%	0.403	48%	0.477	S	S	.	.			trans	-67.8	100.8	177.5	28.5	-33.5	0	0	0	109.1	G1572 E1574 P1592	G1572-P1590 VanDerWaalsContact C-CD 3.5Å; G1572-P1590 WeakPolarHBondContact O-CD 2.98Å; E1574-P1590 HydrophobicContact CB-CB 4.44Å; E1574-P1590 HydrophobicContact CG-CB 4.01Å; P1590-P1592 WeakPolarHBondContact O-CD 3.47Å
1591	Q	41.4	Very low	47.4	Very low	110 Å²	110	81.1 Å²	81.1	51%	0.514	43%	0.434	S	S	.	.			trans	-61.5	115.4	179.7	-73.2	-79.6	-12.4	0	0	109.3	F1589 S1593	F1589-Q1591 PolarHBondContact O-N 3.35Å; Q1591-S1593 PolarHBondContact O-N 3.33Å
1592	P	38.3	Very low	46.6	Very low	125 Å²	125	82.4 Å²	82.4	81%	0.812	43%	0.432	S	S	*	.			trans	-68	110.5	-177.4	26.5	-33.4	0	0	0	110.7	P1590	P1590-P1592 WeakPolarHBondContact O-CD 3.47Å
1593	S	33.4	Very low	46	Very low	95 Å²	95	79.5 Å²	79.5	66%	0.664	42%	0.422	S	S	*	.			trans	-89.5	130.9	-175.2	50.4	0	0	0	0	113.3	Q1591	Q1591-S1593 PolarHBondContact O-N 3.33Å
1594	F	29.7	Very low	45.4	Very low	183 Å²	183	80.1 Å²	80.1	80%	0.803	43%	0.426	S	S	*	.			trans	-161.9	86.9	132	-94.4	-66	0	0	0	106
1595	E	31.1	Very low	44.5	Very low	154 Å²	154	84.8 Å²	84.8	72%	0.72	46%	0.459	S	S	*	.				76.5	114.9	99.2	-78	-175.7	168.3	0	0	111.9
1596	E	31.4	Very low	43.2	Very low	165 Å²	165	86.6 Å²	86.6	77%	0.771	47%	0.467	S	S	*	.			cis	-146.5	163.9	6.4	-55.5	178.3	104.2	0	0	111.8
1597	T	33.4	Very low	42	Very low	116 Å²	116	87.7 Å²	87.7	71%	0.712	47%	0.471	S	S	*	.			trans	72.2	131.4	164.8	66.9	0	0	0	0	120.4
1598	T	33.9	Very low	41.6	Very low	105 Å²	105	88.8 Å²	88.8	64%	0.644	48%	0.477	S	S	*	.			cis	-169.3	46.7	-38.7	21.6	0	0	0	0	110.9	A1600 P1621	T1598-A1600 PolarHBondContact O-N 3.11Å; T1598-P1621 CarbonylContact C-O 3.52Å
1599	H	34.5	Very low	41.4	Very low	36 Å²	36	87.7 Å²	87.7	17%	0.167	48%	0.475	C	S	.	.			trans	-74.5	125.4	-178.3	-161.5	-95	0	0	0	111.3	C1601 N1618 S1620 P1621 E1622 G1623	H1599-C1601 VanDerWaalsContact C-N 3.32Å; H1599-C1601 PolarHBondContact ND1-SG 3.1Å; H1599-C1601 PolarHBondContact O-N 3.18Å; H1599-N1618 PolarHBondContact CE1-O 3.32Å; H1599-N1618 PolarHBondContact NE2-O 3.47Å; H1599-S1620 WeakPolarHBondContact CB-O 3.46Å; H1599-S1620 PolarHBondContact CD2-O 3.42Å; H1599-P1621 WeakPolarHBondContact CA-O 3.22Å; H1599-P1621 PolarHBondContact N-O 3.39Å; H1599-P1621 VanDerWaalsContact N-O 3.14Å; H1599-E1622 PolarHBondContact CD2-N 3.1Å; H1599-G1623 PolarHBondContact CD2-N 2.09Å; H1599-G1623 VanDerWaalsContact CD2-N 3.26Å; H1599-G1623 PolarHBondContact CE1-O 2.79Å; H1599-G1623 PolarHBondContact NE2-N 3.29Å; H1599-G1623 VanDerWaalsContact NE2-N 3.16Å; H1599-G1623 PolarHBondContact NE2-O 2.91Å
1600	A	43.9	Very low	41.7	Very low	13 Å²	13	82.3 Å²	82.3	11%	0.107	45%	0.454	C	S	.	.	G	3₁₀ helix	trans	-76.5	2.5	-153.4	0	0	0	0	0	117.7	T1598 L1606 E1622 Y1624	T1598-A1600 PolarHBondContact O-N 3.11Å; A1600-L1606 HydrophobicContact CB-CB 4.27Å; A1600-L1606 HydrophobicContact CB-CD1 3.85Å; A1600-L1606 HydrophobicContact CB-CD2 4.41Å; A1600-L1606 HydrophobicContact CB-CG 4.4Å; A1600-L1606 WeakPolarHBondContact O-CB 3.39Å; A1600-E1622 PolarHBondContact N-O 2.91Å; A1600-Y1624 HydrophobicContact CB-CD1 3.87Å; A1600-Y1624 HydrophobicContact CB-CE1 3.51Å; A1600-Y1624 WeakPolarHBondContact O-CE1 3.25Å
1601	C	43	Very low	42.4	Very low	4 Å²	4	86.8 Å²	86.8	3%	0.027	47%	0.474	C	S	.	.	G	3₁₀ helix	trans	-74	-28.5	-168.8	17.6	0	0	0	0	115.4	H1599 N1607 Y1624	H1599-C1601 VanDerWaalsContact C-N 3.32Å; H1599-C1601 PolarHBondContact ND1-SG 3.1Å; H1599-C1601 PolarHBondContact O-N 3.18Å; C1601-N1607 VanDerWaalsContact O-CB 3.31Å; C1601-N1607 WeakPolarHBondContact O-CB 3.06Å; C1601-N1607 PolarHBondContact O-ND2 3.31Å; C1601-N1607 PolarHBondContact O-OD1 2.7Å; C1601-N1607 VanDerWaalsContact O-OD1 3.12Å; C1601-Y1624 VanDerWaalsContact CA-CG 3.46Å; C1601-Y1624 VanDerWaalsContact CB-CB 3.42Å; C1601-Y1624 HydrophobicContact CB-CD1 3.7Å; C1601-Y1624 HydrophobicContact CB-CD2 4Å; C1601-Y1624 HydrophobicContact CB-CE1 4.48Å; C1601-Y1624 HydrophobicContact CB-CG 3.42Å; C1601-Y1624 VanDerWaalsContact CB-CG 3.42Å
1602	Q	41.3	Very low	42.9	Very low	137 Å²	137	86.5 Å²	86.5	64%	0.64	47%	0.473	S	S	*	.	G	3₁₀ helix	trans	-124.4	26.3	-172.1	-71.6	166.3	-20	0	0	110.1
1603	D	43.3	Very low	43.6	Very low	59 Å²	59	81.4 Å²	81.4	32%	0.316	44%	0.443	S	S	.	.			trans	-99.4	120.3	169.5	-174.7	-39.8	0	0	0	109.2	S1605 L1606 N1607	D1603-S1605 PolarHBondContact O-N 2.72Å; D1603-S1605 VanDerWaalsContact O-N 3.15Å; D1603-S1605 WeakPolarHBondContact OD1-CB 3.05Å; D1603-S1605 PolarHBondContact OD1-N 2.65Å; D1603-S1605 PolarHBondContact OD1-OG 2.82Å; D1603-L1606 HydrophobicContact CB-CB 4.29Å; D1603-L1606 HydrophobicContact CB-CD1 4.37Å; D1603-L1606 PolarHBondContact O-N 3.22Å; D1603-N1607 PolarHBondContact O-N 2.81Å
1604	P	46.8	Very low	44.5	Very low	54 Å²	54	81.3 Å²	81.3	35%	0.351	44%	0.438	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-25	179.3	10.3	-23.5	0	0	0	115.1	K1576 E1588 L1606	K1576-P1604 HydrophobicContact CD-CB 3.92Å; K1576-P1604 HydrophobicContact CD-CG 3.43Å; K1576-P1604 VanDerWaalsContact CD-CG 3.43Å; E1588-P1604 WeakPolarHBondContact OE1-CB 3.38Å; E1588-P1604 VanDerWaalsContact OE2-CB 3.27Å; E1588-P1604 WeakPolarHBondContact OE2-CB 2.91Å; E1588-P1604 VanDerWaalsContact OE2-CG 3.29Å; E1588-P1604 WeakPolarHBondContact OE2-CG 2.95Å; P1604-L1606 PolarHBondContact O-N 3.29Å
1605	S	44.8	Very low	45.9	Very low	98 Å²	98	75.1 Å²	75.1	69%	0.685	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.4	-6.2	177.7	70.5	0	0	0	0	113	D1603	D1603-S1605 PolarHBondContact O-N 2.72Å; D1603-S1605 VanDerWaalsContact O-N 3.15Å; D1603-S1605 WeakPolarHBondContact OD1-CB 3.05Å; D1603-S1605 PolarHBondContact OD1-N 2.65Å; D1603-S1605 PolarHBondContact OD1-OG 2.82Å
1606	L	42.7	Very low	46.8	Very low	68 Å²	68	72.3 Å²	72.3	36%	0.356	40%	0.403	S	S	.	.	T	Hydrogen-bonded Turn	trans	-131.5	-42.4	-171.2	-83.7	151.7	0	0	0	114.1	A1600 D1603 P1604 D1608 Y1624	A1600-L1606 HydrophobicContact CB-CB 4.27Å; A1600-L1606 HydrophobicContact CB-CD1 3.85Å; A1600-L1606 HydrophobicContact CB-CD2 4.41Å; A1600-L1606 HydrophobicContact CB-CG 4.4Å; A1600-L1606 WeakPolarHBondContact O-CB 3.39Å; D1603-L1606 HydrophobicContact CB-CB 4.29Å; D1603-L1606 HydrophobicContact CB-CD1 4.37Å; D1603-L1606 PolarHBondContact O-N 3.22Å; P1604-L1606 PolarHBondContact O-N 3.29Å; L1606-D1608 VanDerWaalsContact O-CB 3.27Å; L1606-D1608 WeakPolarHBondContact O-CB 3.26Å; L1606-D1608 PolarHBondContact O-N 3.49Å; L1606-Y1624 VanDerWaalsContact C-OH 3.24Å; L1606-Y1624 PolarHBondContact O-OH 3.35Å
1607	N	43.5	Very low	47.4	Very low	69 Å²	69	68 Å²	68	37%	0.369	39%	0.39	S	S	.	.			trans	-57.9	104.8	-168.5	-171.9	27.1	0	0	0	111.7	C1601 D1603 C1609 C1615 Y1624	C1601-N1607 VanDerWaalsContact O-CB 3.31Å; C1601-N1607 WeakPolarHBondContact O-CB 3.06Å; C1601-N1607 PolarHBondContact O-ND2 3.31Å; C1601-N1607 PolarHBondContact O-OD1 2.7Å; C1601-N1607 VanDerWaalsContact O-OD1 3.12Å; D1603-N1607 PolarHBondContact O-N 2.81Å; N1607-C1609 PolarHBondContact OD1-SG 3.17Å; N1607-C1615 PolarHBondContact OD1-SG 3.08Å; N1607-C1615 VanDerWaalsContact OD1-SG 3.4Å; N1607-Y1624 WeakPolarHBondContact CA-OH 3.11Å
1608	D	57	Low	48.2	Very low	23 Å²	23	66.8 Å²	66.8	12%	0.123	38%	0.38	C	S	.	.			trans	-109.9	4	-160.3	47.6	-128	0	0	0	114.7	L1606 Y1624 K1642 R1645	L1606-D1608 VanDerWaalsContact O-CB 3.27Å; L1606-D1608 WeakPolarHBondContact O-CB 3.26Å; L1606-D1608 PolarHBondContact O-N 3.49Å; D1608-Y1624 PolarHBondContact N-OH 2.79Å; D1608-Y1624 PolarHBondContact OD1-OH 3.47Å; D1608-K1642 WeakPolarHBondContact OD1-CD 3.19Å; D1608-K1642 IonicContact OD1-NZ 2.69Å; D1608-K1642 PolarHBondContact OD1-NZ 2.83Å; D1608-R1645 HydrophobicContact CB-CG 3.9Å; D1608-R1645 VanDerWaalsContact CB-NE 3.3Å; D1608-R1645 WeakPolarHBondContact O-CA 3.38Å; D1608-R1645 VanDerWaalsContact O-CB 3.25Å; D1608-R1645 WeakPolarHBondContact O-CB 3.05Å; D1608-R1645 WeakPolarHBondContact O-CG 3.37Å; D1608-R1645 IonicContact OD1-CZ 3.29Å; D1608-R1645 IonicContact OD1-NE 2.68Å; D1608-R1645 PolarHBondContact OD1-NE 2.88Å; D1608-R1645 IonicContact OD1-NH2 2.69Å; D1608-R1645 PolarHBondContact OD1-NH2 2.79Å; D1608-R1645 WeakPolarHBondContact OD2-CG 3.44Å; D1608-R1645 IonicContact OD2-CZ 3.21Å; D1608-R1645 IonicContact OD2-NE 3.49Å; D1608-R1645 PolarHBondContact OD2-NE 2.78Å; D1608-R1645 IonicContact OD2-NH2 2.67Å
1609	C	56.1	Low	48.7	Very low	28 Å²	28	69.8 Å²	69.8	19%	0.189	39%	0.392	C	S	.	.			trans	-60.4	146	-177.9	-51.6	0	0	0	0	113	N1607 C1615 C1626	N1607-C1609 PolarHBondContact OD1-SG 3.17Å; C1609-C1615 HydrophobicContact CB-CB 4.44Å; C1609-C1615 WeakPolarHBondContact SG-CB 2.92Å; C1609-C1615 VanDerWaalsContact SG-SG 3.64Å; C1609-C1626 WeakPolarHBondContact CA-SG 3.01Å; C1609-C1626 HydrophobicContact CB-CB 3.54Å; C1609-C1626 WeakPolarHBondContact CB-SG 3.28Å; C1609-C1626 PolarHBondContact N-SG 3.01Å; C1609-C1626 VanDerWaalsContact N-SG 3.45Å; C1609-C1626 WeakPolarHBondContact SG-CB 3.22Å; C1609-C1626 CovalentContact SG-SG 2.02Å; C1609-C1626 PolarHBondContact SG-SG 2.8Å
1610	S	60.1	Low	48.9	Very low	24 Å²	24	72 Å²	72	17%	0.168	41%	0.411	C	S	.	.			trans	-64.3	153	178.2	-150.6	0	0	0	0	112.1	Q1612 G1613 G1644 R1645 C1647	S1610-Q1612 PolarHBondContact O-N 3.07Å; S1610-Q1612 VanDerWaalsContact O-N 3.1Å; S1610-G1613 PolarHBondContact O-N 2.89Å; S1610-G1613 VanDerWaalsContact O-O 3.08Å; S1610-G1644 PolarHBondContact N-O 2.72Å; S1610-R1645 WeakPolarHBondContact CA-O 3.21Å; S1610-R1645 WeakPolarHBondContact CB-O 3.11Å; S1610-R1645 PolarHBondContact N-O 3.47Å; S1610-R1645 PolarHBondContact OG-O 2.93Å; S1610-C1647 VanDerWaalsContact CB-N 3.27Å; S1610-C1647 PolarHBondContact OG-N 3.29Å
1611	L	60.4	Low	48.5	Very low	157 Å²	157	75 Å²	75	82%	0.822	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-20.3	166.6	-73.9	166.2	0	0	0	112.5
1612	Q	53.5	Low	48.4	Very low	104 Å²	104	82.7 Å²	82.7	49%	0.486	47%	0.465	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104	26.5	173.7	-64.5	-73.3	3.4	0	0	112.1	S1610 P1629 F1632 C1647	S1610-Q1612 PolarHBondContact O-N 3.07Å; S1610-Q1612 VanDerWaalsContact O-N 3.1Å; Q1612-P1629 WeakPolarHBondContact O-CD 3.01Å; Q1612-F1632 HydrophobicContact CB-CD1 3.77Å; Q1612-F1632 HydrophobicContact CB-CE1 3.71Å; Q1612-F1632 HydrophobicContact CB-CZ 4.42Å; Q1612-F1632 HydrophobicContact CG-CD1 4.18Å; Q1612-F1632 HydrophobicContact CG-CE1 3.61Å; Q1612-F1632 HydrophobicContact CG-CZ 4.26Å; Q1612-C1647 HydrophobicContact CB-CB 3.86Å; Q1612-C1647 WeakPolarHBondContact O-CB 3.35Å
1613	G	51.1	Low	48.8	Very low	17 Å²	17	78.3 Å²	78.3	18%	0.175	46%	0.457	C	S	.	.	S	Bend	trans	-146.9	147	-175	0	0	0	0	0	113.6	S1610	S1610-G1613 PolarHBondContact O-N 2.89Å; S1610-G1613 VanDerWaalsContact O-O 3.08Å
1614	T	53.8	Low	49	Very low	93 Å²	93	75.9 Å²	75.9	57%	0.571	44%	0.443	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.9	133.1	-175.2	58.2	0	0	0	0	112.5	C1626 E1627	T1614-C1626 CarbonylContact O-C 3.59Å; T1614-C1626 VanDerWaalsContact O-CA 3.32Å; T1614-C1626 WeakPolarHBondContact O-CA 3.32Å; T1614-E1627 PolarHBondContact N-O 2.68Å; T1614-E1627 PolarHBondContact O-N 3.22Å; T1614-E1627 PolarHBondContact OG1-O 2.74Å
1615	C	58.3	Low	49.6	Very low	53 Å²	53	75.3 Å²	75.3	36%	0.358	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	125	-179.7	-171.2	0	0	0	0	111.3	N1607 C1609	N1607-C1615 PolarHBondContact OD1-SG 3.08Å; N1607-C1615 VanDerWaalsContact OD1-SG 3.4Å; C1609-C1615 HydrophobicContact CB-CB 4.44Å; C1609-C1615 WeakPolarHBondContact SG-CB 2.92Å; C1609-C1615 VanDerWaalsContact SG-SG 3.64Å
1616	K	49.6	Very low	50.5	Low	96 Å²	96	70.8 Å²	70.8	42%	0.417	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	119.4	-173.6	-151.6	172.2	-170.8	171.8	0	111	T1625 E1627	K1616-T1625 WeakPolarHBondContact CB-O 3.47Å; K1616-T1625 PolarHBondContact N-O 2.91Å; K1616-T1625 PolarHBondContact O-N 2.89Å; K1616-E1627 HydrophobicContact CD-CG 4.37Å; K1616-E1627 WeakPolarHBondContact CD-OE1 3.4Å; K1616-E1627 WeakPolarHBondContact CD-OE2 3.27Å; K1616-E1627 IonicContact NZ-OE1 2.79Å; K1616-E1627 PolarHBondContact NZ-OE1 2.9Å; K1616-E1627 IonicContact NZ-OE2 3.17Å; K1616-E1627 PolarHBondContact NZ-OE2 2.7Å
1617	S	44.7	Very low	51.3	Low	74 Å²	74	71.8 Å²	71.8	52%	0.517	41%	0.41	S	S	.	.			trans	-81.4	133.5	176.6	-164.4	0	0	0	0	111.1
1618	N	49.5	Very low	52.3	Low	90 Å²	90	70 Å²	70	48%	0.481	40%	0.403	S	S	.	.			trans	-106.1	149.3	164.4	-74.1	-56.5	0	0	0	108.8	H1599 S1620	H1599-N1618 PolarHBondContact CE1-O 3.32Å; H1599-N1618 PolarHBondContact NE2-O 3.47Å; N1618-S1620 PolarHBondContact O-N 2.05Å
1619	D	44.2	Very low	52.5	Low	168 Å²	168	71.1 Å²	71.1	90%	0.898	41%	0.411	S	S	*	.	S	Bend	trans	-71.9	79.8	-169.8	-62.7	-56.5	0	0	0	113.9
1620	S	40.5	Very low	52.5	Low	82 Å²	82	75.4 Å²	75.4	57%	0.573	44%	0.439	S	S	*	.	S	Bend	trans	-156.6	-176.2	-179	-81.8	0	0	0	0	113.9	H1599 N1618	H1599-S1620 WeakPolarHBondContact CB-O 3.46Å; H1599-S1620 PolarHBondContact CD2-O 3.42Å; N1618-S1620 PolarHBondContact O-N 2.05Å
1621	P	34.8	Very low	52.2	Low	78 Å²	78	79.7 Å²	79.7	51%	0.506	46%	0.46	S	S	.	.	S	Bend	trans	-103.2	0.3	172.4	-2.7	25.2	0	0	0	116.6	T1598 H1599	T1598-P1621 CarbonylContact C-O 3.52Å; H1599-P1621 WeakPolarHBondContact CA-O 3.22Å; H1599-P1621 PolarHBondContact N-O 3.39Å; H1599-P1621 VanDerWaalsContact N-O 3.14Å
1622	E	40.8	Very low	52.3	Low	164 Å²	164	74.4 Å²	74.4	77%	0.766	43%	0.43	S	S	*	.	S	Bend	trans	-106.5	-77	-178.3	-63.8	175	85.5	0	0	116.6	H1599 A1600	H1599-E1622 PolarHBondContact CD2-N 3.1Å; A1600-E1622 PolarHBondContact N-O 2.91Å
1623	G	49	Very low	52.6	Low	45 Å²	45	71.9 Å²	71.9	46%	0.464	42%	0.422	S	S	.	.			trans	-138	143.9	-162	0	0	0	0	0	119.6	H1599	H1599-G1623 PolarHBondContact CD2-N 2.09Å; H1599-G1623 VanDerWaalsContact CD2-N 3.26Å; H1599-G1623 PolarHBondContact CE1-O 2.79Å; H1599-G1623 PolarHBondContact NE2-N 3.29Å; H1599-G1623 VanDerWaalsContact NE2-N 3.16Å; H1599-G1623 PolarHBondContact NE2-O 2.91Å
1624	Y	46.9	Very low	53	Low	8 Å²	8	73.3 Å²	73.3	3%	0.031	43%	0.425	C	S	.	.			trans	-107.6	174	-176.7	60.7	-75.7	0	0	0	113.1	A1600 C1601 L1606 N1607 D1608 K1642	A1600-Y1624 HydrophobicContact CB-CD1 3.87Å; A1600-Y1624 HydrophobicContact CB-CE1 3.51Å; A1600-Y1624 WeakPolarHBondContact O-CE1 3.25Å; C1601-Y1624 VanDerWaalsContact CA-CG 3.46Å; C1601-Y1624 VanDerWaalsContact CB-CB 3.42Å; C1601-Y1624 HydrophobicContact CB-CD1 3.7Å; C1601-Y1624 HydrophobicContact CB-CD2 4Å; C1601-Y1624 HydrophobicContact CB-CE1 4.48Å; C1601-Y1624 HydrophobicContact CB-CG 3.42Å; C1601-Y1624 VanDerWaalsContact CB-CG 3.42Å; L1606-Y1624 VanDerWaalsContact C-OH 3.24Å; L1606-Y1624 PolarHBondContact O-OH 3.35Å; N1607-Y1624 WeakPolarHBondContact CA-OH 3.11Å; D1608-Y1624 PolarHBondContact N-OH 2.79Å; D1608-Y1624 PolarHBondContact OD1-OH 3.47Å; Y1624-K1642 PolarHBondContact OH-NZ 3.02Å
1625	T	60.7	Low	53.5	Low	43 Å²	43	74 Å²	74	26%	0.264	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	139.2	173.1	49.7	0	0	0	0	110.5	K1616 P1643	K1616-T1625 WeakPolarHBondContact CB-O 3.47Å; K1616-T1625 PolarHBondContact N-O 2.91Å; K1616-T1625 PolarHBondContact O-N 2.89Å; T1625-P1643 HydrophobicContact CG2-CG 4.16Å
1626	C	63	Low	53.3	Low	3 Å²	3	71.7 Å²	71.7	2%	0.02	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	139.1	166.3	-40.2	0	0	0	0	108.8	C1609 T1614 P1643 G1644	C1609-C1626 WeakPolarHBondContact CA-SG 3.01Å; C1609-C1626 HydrophobicContact CB-CB 3.54Å; C1609-C1626 WeakPolarHBondContact CB-SG 3.28Å; C1609-C1626 PolarHBondContact N-SG 3.01Å; C1609-C1626 VanDerWaalsContact N-SG 3.45Å; C1609-C1626 WeakPolarHBondContact SG-CB 3.22Å; C1609-C1626 CovalentContact SG-SG 2.02Å; C1609-C1626 PolarHBondContact SG-SG 2.8Å; T1614-C1626 CarbonylContact O-C 3.59Å; T1614-C1626 VanDerWaalsContact O-CA 3.32Å; T1614-C1626 WeakPolarHBondContact O-CA 3.32Å; C1626-P1643 WeakPolarHBondContact CB-O 3.49Å; C1626-P1643 PolarHBondContact N-O 3.06Å; C1626-P1643 CarbonylContact O-C 3.45Å; C1626-G1644 WeakPolarHBondContact CB-O 3.29Å
1627	E	60.6	Low	53.5	Low	89 Å²	89	72.8 Å²	72.8	42%	0.416	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	126.4	174.6	-72.4	176.5	175.7	0	0	109.3	T1614 K1616	T1614-E1627 PolarHBondContact N-O 2.68Å; T1614-E1627 PolarHBondContact O-N 3.22Å; T1614-E1627 PolarHBondContact OG1-O 2.74Å; K1616-E1627 HydrophobicContact CD-CG 4.37Å; K1616-E1627 WeakPolarHBondContact CD-OE1 3.4Å; K1616-E1627 WeakPolarHBondContact CD-OE2 3.27Å; K1616-E1627 IonicContact NZ-OE1 2.79Å; K1616-E1627 PolarHBondContact NZ-OE1 2.9Å; K1616-E1627 IonicContact NZ-OE2 3.17Å; K1616-E1627 PolarHBondContact NZ-OE2 2.7Å
1628	C	63.6	Low	54	Low	32 Å²	32	72.7 Å²	72.7	22%	0.216	42%	0.419	C	S	.	.			trans	-74.3	145.8	170.1	-58.5	0	0	0	0	110.4	F1632 C1647	C1628-F1632 HydrophobicContact CB-CB 4Å; C1628-F1632 WeakPolarHBondContact CB-O 3.43Å; C1628-C1647 WeakPolarHBondContact CA-SG 3.4Å; C1628-C1647 HydrophobicContact CB-CB 3.76Å; C1628-C1647 WeakPolarHBondContact CB-SG 3.06Å; C1628-C1647 WeakPolarHBondContact SG-CA 3.06Å; C1628-C1647 WeakPolarHBondContact SG-CB 3.37Å; C1628-C1647 CovalentContact SG-SG 2.04Å; C1628-C1647 PolarHBondContact SG-SG 2.91Å
1629	P	62.1	Low	54.3	Low	46 Å²	46	73 Å²	73	30%	0.299	42%	0.42	S	S	.	.			trans	-55.3	157.6	166.7	-22.2	32.6	0	0	0	111.6	Q1612 D1631 F1632	Q1612-P1629 WeakPolarHBondContact O-CD 3.01Å; P1629-D1631 PolarHBondContact O-N 3.14Å; P1629-F1632 HydrophobicContact CB-CD2 4.02Å; P1629-F1632 HydrophobicContact CG-CD2 4.24Å; P1629-F1632 PolarHBondContact O-N 3.2Å
1630	P	56.2	Low	54.9	Low	117 Å²	117	72.4 Å²	72.4	76%	0.76	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.6	-28.4	-173.7	21.7	-32.6	0	0	0	114.1	F1632	P1630-F1632 VanDerWaalsContact C-N 3.27Å; P1630-F1632 PolarHBondContact O-N 3.36Å
1631	D	53	Low	55.4	Low	114 Å²	114	73.7 Å²	73.7	61%	0.61	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.5	8.1	-178.8	-44.9	-69.5	0	0	0	113.2	P1629 K1650	P1629-D1631 PolarHBondContact O-N 3.14Å; D1631-K1650 WeakPolarHBondContact O-CB 3.02Å; D1631-K1650 PolarHBondContact O-N 2.77Å
1632	F	61.5	Low	56.4	Low	46 Å²	46	72.4 Å²	72.4	20%	0.202	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	125.4	-177.1	-71.6	-105.4	0	0	0	111.1	Q1612 C1628 P1629 P1630 C1647 A1648 P1649	Q1612-F1632 HydrophobicContact CB-CD1 3.77Å; Q1612-F1632 HydrophobicContact CB-CE1 3.71Å; Q1612-F1632 HydrophobicContact CB-CZ 4.42Å; Q1612-F1632 HydrophobicContact CG-CD1 4.18Å; Q1612-F1632 HydrophobicContact CG-CE1 3.61Å; Q1612-F1632 HydrophobicContact CG-CZ 4.26Å; C1628-F1632 HydrophobicContact CB-CB 4Å; C1628-F1632 WeakPolarHBondContact CB-O 3.43Å; P1629-F1632 HydrophobicContact CB-CD2 4.02Å; P1629-F1632 HydrophobicContact CG-CD2 4.24Å; P1629-F1632 PolarHBondContact O-N 3.2Å; P1630-F1632 VanDerWaalsContact C-N 3.27Å; P1630-F1632 PolarHBondContact O-N 3.36Å; F1632-C1647 HydrophobicContact CB-CB 4.04Å; F1632-C1647 HydrophobicContact CD1-CB 4.28Å; F1632-C1647 WeakPolarHBondContact CD1-O 3.31Å; F1632-A1648 CarbonylContact C-O 2.87Å; F1632-A1648 WeakPolarHBondContact CA-O 3.34Å; F1632-A1648 WeakPolarHBondContact CB-O 3.5Å; F1632-A1648 VanDerWaalsContact CD1-C 3.44Å; F1632-P1649 VanDerWaalsContact CD1-CA 3.46Å; F1632-P1649 HydrophobicContact CD1-CB 4.19Å; F1632-P1649 VanDerWaalsContact CD1-N 3.27Å; F1632-P1649 HydrophobicContact CE1-CB 3.93Å; F1632-P1649 HydrophobicContact CE1-CG 4.46Å; F1632-P1649 HydrophobicContact CZ-CB 4.35Å
1633	V	60	Low	57.1	Low	51 Å²	51	65.9 Å²	65.9	31%	0.309	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	137.5	171.9	-76.4	0	0	0	0	111.1	M1635 A1648 K1650	V1633-M1635 HydrophobicContact CG2-CE 3.74Å; V1633-M1635 HydrophobicContact CG2-CG 4.2Å; V1633-M1635 PolarHBondContact O-N 2.86Å; V1633-A1648 HydrophobicContact CG2-CB 4.43Å; V1633-A1648 PolarHBondContact N-O 2.73Å; V1633-A1648 PolarHBondContact O-N 3.23Å; V1633-K1650 HydrophobicContact CG1-CB 3.89Å; V1633-K1650 HydrophobicContact CG1-CD 4.27Å; V1633-K1650 HydrophobicContact CG1-CG 3.73Å
1634	D	60	Low	57.6	Low	47 Å²	47	63.8 Å²	63.8	25%	0.251	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	105.8	170.5	-172.1	11	0	0	0	110.8	S1636 L1639 P1643 G1644	D1634-S1636 WeakPolarHBondContact OD1-CB 3.1Å; D1634-S1636 PolarHBondContact OD1-N 2.69Å; D1634-S1636 PolarHBondContact OD1-OG 3.31Å; D1634-L1639 HydrophobicContact CB-CD2 4Å; D1634-L1639 VanDerWaalsContact CG-CD2 3.42Å; D1634-L1639 WeakPolarHBondContact O-CD2 3.49Å; D1634-L1639 VanDerWaalsContact OD2-CD2 3.31Å; D1634-L1639 WeakPolarHBondContact OD2-CD2 3.37Å; D1634-P1643 WeakPolarHBondContact OD2-CA 2.88Å; D1634-P1643 WeakPolarHBondContact OD2-CB 3.42Å; D1634-G1644 PolarHBondContact OD1-N 3.03Å; D1634-G1644 PolarHBondContact OD2-N 2.95Å
1635	M	63.8	Low	58.5	Low	107 Å²	107	67.8 Å²	67.8	53%	0.527	37%	0.368	S	S	.	.			trans	-98.5	21.5	171.5	-62.6	-164	179.1	0	0	112.2	V1633 V1646 A1648	V1633-M1635 HydrophobicContact CG2-CE 3.74Å; V1633-M1635 HydrophobicContact CG2-CG 4.2Å; V1633-M1635 PolarHBondContact O-N 2.86Å; M1635-V1646 HydrophobicContact CB-CB 4.12Å; M1635-V1646 HydrophobicContact CB-CG1 3.97Å; M1635-V1646 PolarHBondContact N-O 2.86Å; M1635-A1648 HydrophobicContact CE-CB 3.84Å; M1635-A1648 HydrophobicContact CG-CB 3.92Å; M1635-A1648 HydrophobicContact SD-CB 3.62Å
1636	S	54.2	Low	58.6	Low	6 Å²	6	68.8 Å²	68.8	4%	0.042	37%	0.374	C	S	.	.			trans	-60	136	178.1	-60.7	0	0	0	0	112.4	D1634 D1638 L1639 K1642 G1644 R1645 V1646	D1634-S1636 WeakPolarHBondContact OD1-CB 3.1Å; D1634-S1636 PolarHBondContact OD1-N 2.69Å; D1634-S1636 PolarHBondContact OD1-OG 3.31Å; S1636-D1638 PolarHBondContact O-N 2.91Å; S1636-L1639 WeakPolarHBondContact O-CD2 3Å; S1636-K1642 WeakPolarHBondContact CB-O 3.04Å; S1636-G1644 PolarHBondContact OG-N 3.47Å; S1636-R1645 WeakPolarHBondContact OG-CA 3.36Å; S1636-R1645 VanDerWaalsContact OG-CB 3.23Å; S1636-R1645 WeakPolarHBondContact OG-CB 3.26Å; S1636-R1645 PolarHBondContact OG-N 3.27Å; S1636-V1646 PolarHBondContact OG-N 3.39Å
1637	P	54.4	Low	58.2	Low	119 Å²	119	68.9 Å²	68.9	77%	0.773	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-11	177.1	-27.7	36.3	0	0	0	116.6
1638	D	54.8	Low	58	Low	71 Å²	71	65.6 Å²	65.6	38%	0.38	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	-142.4	74.5	173.6	-174	6.3	0	0	0	112.4	S1636 L1640 N1641 K1642	S1636-D1638 PolarHBondContact O-N 2.91Å; D1638-L1640 PolarHBondContact O-N 3.45Å; D1638-L1640 PolarHBondContact OD1-N 3.24Å; D1638-N1641 PolarHBondContact O-N 2.83Å; D1638-N1641 PolarHBondContact OD1-ND2 3.18Å; D1638-N1641 VanDerWaalsContact OD1-ND2 3.09Å; D1638-N1641 PolarHBondContact OD2-ND2 2.77Å; D1638-K1642 CarbonylContact O-C 3.4Å; D1638-K1642 VanDerWaalsContact O-C 3.3Å; D1638-K1642 PolarHBondContact O-N 2.86Å
1639	L	56.1	Low	57.3	Low	96 Å²	96	67.7 Å²	67.7	50%	0.503	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.7	-19	-179.9	-58.7	173.2	0	0	0	115.6	D1634 S1636	D1634-L1639 HydrophobicContact CB-CD2 4Å; D1634-L1639 VanDerWaalsContact CG-CD2 3.42Å; D1634-L1639 WeakPolarHBondContact O-CD2 3.49Å; D1634-L1639 VanDerWaalsContact OD2-CD2 3.31Å; D1634-L1639 WeakPolarHBondContact OD2-CD2 3.37Å; S1636-L1639 WeakPolarHBondContact O-CD2 3Å
1640	L	56.4	Low	56.6	Low	156 Å²	156	70 Å²	70	82%	0.817	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.8	-34.2	-176.2	-104	78.5	0	0	0	113.6	D1638	D1638-L1640 PolarHBondContact O-N 3.45Å; D1638-L1640 PolarHBondContact OD1-N 3.24Å
1641	N	50.8	Low	56.3	Low	109 Å²	109	68.7 Å²	68.7	58%	0.583	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.1	-28.9	-171.5	-52.2	-71.3	0	0	0	112.3	D1638	D1638-N1641 PolarHBondContact O-N 2.83Å; D1638-N1641 PolarHBondContact OD1-ND2 3.18Å; D1638-N1641 VanDerWaalsContact OD1-ND2 3.09Å; D1638-N1641 PolarHBondContact OD2-ND2 2.77Å
1642	K	55.6	Low	56.4	Low	51 Å²	51	65.2 Å²	65.2	22%	0.222	35%	0.351	C	S	.	.	S	Bend	trans	-141.3	66.5	-179.7	-76.6	165.2	167.7	-63.5	0	110.1	D1608 Y1624 S1636 D1638	D1608-K1642 WeakPolarHBondContact OD1-CD 3.19Å; D1608-K1642 IonicContact OD1-NZ 2.69Å; D1608-K1642 PolarHBondContact OD1-NZ 2.83Å; Y1624-K1642 PolarHBondContact OH-NZ 3.02Å; S1636-K1642 WeakPolarHBondContact CB-O 3.04Å; D1638-K1642 CarbonylContact O-C 3.4Å; D1638-K1642 VanDerWaalsContact O-C 3.3Å; D1638-K1642 PolarHBondContact O-N 2.86Å
1643	P	57	Low	56.4	Low	28 Å²	28	64.7 Å²	64.7	18%	0.182	35%	0.351	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.5	158.4	169.8	31	-36	0	0	0	111.4	T1625 C1626 D1634	T1625-P1643 HydrophobicContact CG2-CG 4.16Å; C1626-P1643 WeakPolarHBondContact CB-O 3.49Å; C1626-P1643 PolarHBondContact N-O 3.06Å; C1626-P1643 CarbonylContact O-C 3.45Å; D1634-P1643 WeakPolarHBondContact OD2-CA 2.88Å; D1634-P1643 WeakPolarHBondContact OD2-CB 3.42Å
1644	G	59.8	Low	56.6	Low	0 Å²	0	63.6 Å²	63.6	0%	0	35%	0.345	C	S	.	.	T	Hydrogen-bonded Turn	trans	76.1	19.1	170.7	0	0	0	0	0	117.2	S1610 C1626 D1634 S1636 C1647	S1610-G1644 PolarHBondContact N-O 2.72Å; C1626-G1644 WeakPolarHBondContact CB-O 3.29Å; D1634-G1644 PolarHBondContact OD1-N 3.03Å; D1634-G1644 PolarHBondContact OD2-N 2.95Å; S1636-G1644 PolarHBondContact OG-N 3.47Å; G1644-C1647 PolarHBondContact O-SG 3.46Å
1645	R	64.9	Low	56.5	Low	92 Å²	92	67.2 Å²	67.2	35%	0.347	36%	0.364	S	S	.	.	S	Bend	trans	-70.8	-38.4	170.7	-57.5	177.3	144.3	-132.4	-7.3	114.1	D1608 S1610 S1636	D1608-R1645 HydrophobicContact CB-CG 3.9Å; D1608-R1645 VanDerWaalsContact CB-NE 3.3Å; D1608-R1645 WeakPolarHBondContact O-CA 3.38Å; D1608-R1645 VanDerWaalsContact O-CB 3.25Å; D1608-R1645 WeakPolarHBondContact O-CB 3.05Å; D1608-R1645 WeakPolarHBondContact O-CG 3.37Å; D1608-R1645 IonicContact OD1-CZ 3.29Å; D1608-R1645 IonicContact OD1-NE 2.68Å; D1608-R1645 PolarHBondContact OD1-NE 2.88Å; D1608-R1645 IonicContact OD1-NH2 2.69Å; D1608-R1645 PolarHBondContact OD1-NH2 2.79Å; D1608-R1645 WeakPolarHBondContact OD2-CG 3.44Å; D1608-R1645 IonicContact OD2-CZ 3.21Å; D1608-R1645 IonicContact OD2-NE 3.49Å; D1608-R1645 PolarHBondContact OD2-NE 2.78Å; D1608-R1645 IonicContact OD2-NH2 2.67Å; S1610-R1645 WeakPolarHBondContact CA-O 3.21Å; S1610-R1645 WeakPolarHBondContact CB-O 3.11Å; S1610-R1645 PolarHBondContact N-O 3.47Å; S1610-R1645 PolarHBondContact OG-O 2.93Å; S1636-R1645 WeakPolarHBondContact OG-CA 3.36Å; S1636-R1645 VanDerWaalsContact OG-CB 3.23Å; S1636-R1645 WeakPolarHBondContact OG-CB 3.26Å; S1636-R1645 PolarHBondContact OG-N 3.27Å
1646	V	62.6	Low	56.2	Low	64 Å²	64	64.8 Å²	64.8	39%	0.388	35%	0.354	S	S	.	.	S	Bend	trans	-126	83.4	-179.9	-172.1	0	0	0	0	107.5	M1635 S1636 A1648	M1635-V1646 HydrophobicContact CB-CB 4.12Å; M1635-V1646 HydrophobicContact CB-CG1 3.97Å; M1635-V1646 PolarHBondContact N-O 2.86Å; S1636-V1646 PolarHBondContact OG-N 3.39Å; V1646-A1648 PolarHBondContact O-N 3.37Å; V1646-A1648 VanDerWaalsContact O-N 3.14Å
1647	C	54.6	Low	56.1	Low	6 Å²	6	74.1 Å²	74.1	4%	0.041	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	91.4	170.6	-60.2	0	0	0	0	106.5	S1610 Q1612 C1628 F1632 G1644	S1610-C1647 VanDerWaalsContact CB-N 3.27Å; S1610-C1647 PolarHBondContact OG-N 3.29Å; Q1612-C1647 HydrophobicContact CB-CB 3.86Å; Q1612-C1647 WeakPolarHBondContact O-CB 3.35Å; C1628-C1647 WeakPolarHBondContact CA-SG 3.4Å; C1628-C1647 HydrophobicContact CB-CB 3.76Å; C1628-C1647 WeakPolarHBondContact CB-SG 3.06Å; C1628-C1647 WeakPolarHBondContact SG-CA 3.06Å; C1628-C1647 WeakPolarHBondContact SG-CB 3.37Å; C1628-C1647 CovalentContact SG-SG 2.04Å; C1628-C1647 PolarHBondContact SG-SG 2.91Å; F1632-C1647 HydrophobicContact CB-CB 4.04Å; F1632-C1647 HydrophobicContact CD1-CB 4.28Å; F1632-C1647 WeakPolarHBondContact CD1-O 3.31Å; G1644-C1647 PolarHBondContact O-SG 3.46Å
1648	A	56.6	Low	56.4	Low	20 Å²	20	74.5 Å²	74.5	17%	0.165	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	143.9	167.7	0	0	0	0	0	107.7	F1632 V1633 M1635 V1646 K1650	F1632-A1648 CarbonylContact C-O 2.87Å; F1632-A1648 WeakPolarHBondContact CA-O 3.34Å; F1632-A1648 WeakPolarHBondContact CB-O 3.5Å; F1632-A1648 VanDerWaalsContact CD1-C 3.44Å; V1633-A1648 HydrophobicContact CG2-CB 4.43Å; V1633-A1648 PolarHBondContact N-O 2.73Å; V1633-A1648 PolarHBondContact O-N 3.23Å; M1635-A1648 HydrophobicContact CE-CB 3.84Å; M1635-A1648 HydrophobicContact CG-CB 3.92Å; M1635-A1648 HydrophobicContact SD-CB 3.62Å; V1646-A1648 PolarHBondContact O-N 3.37Å; V1646-A1648 VanDerWaalsContact O-N 3.14Å; A1648-K1650 PolarHBondContact O-N 2.92Å
1649	P	49.6	Very low	56.7	Low	75 Å²	75	73.3 Å²	73.3	49%	0.487	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-53.3	138.9	170.8	24.2	-33.2	0	0	0	108.4	F1632 L1651	F1632-P1649 VanDerWaalsContact CD1-CA 3.46Å; F1632-P1649 HydrophobicContact CD1-CB 4.19Å; F1632-P1649 VanDerWaalsContact CD1-N 3.27Å; F1632-P1649 HydrophobicContact CE1-CB 3.93Å; F1632-P1649 HydrophobicContact CE1-CG 4.46Å; F1632-P1649 HydrophobicContact CZ-CB 4.35Å; P1649-L1651 PolarHBondContact O-N 3.48Å
1650	K	46.5	Very low	57.1	Low	94 Å²	94	69.9 Å²	69.9	41%	0.409	38%	0.376	S	S	.	.			trans	-68.2	80.8	175.6	-179.2	-177.7	162.6	-68.7	0	107.2	D1631 V1633 A1648 P1652 E1670	D1631-K1650 WeakPolarHBondContact O-CB 3.02Å; D1631-K1650 PolarHBondContact O-N 2.77Å; V1633-K1650 HydrophobicContact CG1-CB 3.89Å; V1633-K1650 HydrophobicContact CG1-CD 4.27Å; V1633-K1650 HydrophobicContact CG1-CG 3.73Å; A1648-K1650 PolarHBondContact O-N 2.92Å; K1650-P1652 WeakPolarHBondContact O-CD 3.06Å; K1650-E1670 IonicContact NZ-OE1 3.55Å; K1650-E1670 PolarHBondContact NZ-OE1 3.21Å; K1650-E1670 IonicContact NZ-OE2 3.48Å; K1650-E1670 PolarHBondContact NZ-OE2 3.27Å
1651	L	49.9	Very low	58.1	Low	90 Å²	90	66.5 Å²	66.5	47%	0.471	36%	0.358	S	S	.	.			trans	-43.8	114.5	169.7	-84.4	164	0	0	0	107	P1649 V1653 L1655	P1649-L1651 PolarHBondContact O-N 3.48Å; L1651-V1653 PolarHBondContact O-N 2.95Å; L1651-L1655 HydrophobicContact CD2-CB 3.78Å
1652	P	56	Low	59.3	Low	42 Å²	42	62.3 Å²	62.3	27%	0.273	34%	0.337	S	S	.	.			trans	-47	142.1	167.5	-31.7	38.9	0	0	0	108.8	K1650 C1654 L1655 N1656 E1670	K1650-P1652 WeakPolarHBondContact O-CD 3.06Å; P1652-C1654 HydrophobicContact CB-CB 4.39Å; P1652-C1654 PolarHBondContact O-N 2.73Å; P1652-L1655 HydrophobicContact CB-CD1 4.47Å; P1652-L1655 HydrophobicContact CG-CD1 4Å; P1652-L1655 PolarHBondContact O-N 2.9Å; P1652-N1656 PolarHBondContact O-N 3.47Å; P1652-E1670 VanDerWaalsContact CA-CD 3.42Å; P1652-E1670 VanDerWaalsContact CA-OE1 3.25Å; P1652-E1670 WeakPolarHBondContact CA-OE1 3.42Å; P1652-E1670 HydrophobicContact CB-CG 3.82Å
1653	V	61	Low	60.1	Low	34 Å²	34	62.5 Å²	62.5	21%	0.206	34%	0.339	C	S	.	.	G	3₁₀ helix	trans	-53.7	-29.6	-179.5	-175.6	0	0	0	0	110.6	L1651 N1656 A1659 N1660 E1670 Y1677	L1651-V1653 PolarHBondContact O-N 2.95Å; V1653-N1656 PolarHBondContact O-N 3.02Å; V1653-A1659 VanDerWaalsContact CG1-C 3.43Å; V1653-A1659 HydrophobicContact CG1-CB 3.8Å; V1653-A1659 VanDerWaalsContact CG1-O 3.31Å; V1653-A1659 WeakPolarHBondContact CG1-O 3.49Å; V1653-N1660 HydrophobicContact CG1-CB 4.22Å; V1653-N1660 WeakPolarHBondContact O-CB 3.46Å; V1653-N1660 PolarHBondContact O-N 3.31Å; V1653-N1660 PolarHBondContact O-ND2 2.97Å; V1653-E1670 PolarHBondContact N-OE1 2.73Å; V1653-Y1677 HydrophobicContact CB-CD1 3.91Å; V1653-Y1677 HydrophobicContact CB-CG 4.35Å; V1653-Y1677 HydrophobicContact CG1-CD1 3.29Å; V1653-Y1677 HydrophobicContact CG1-CE1 3.67Å; V1653-Y1677 HydrophobicContact CG1-CG 4Å
1654	C	64.4	Low	60.8	Low	28 Å²	28	69 Å²	69	19%	0.189	36%	0.364	C	S	.	.	G	3₁₀ helix	trans	-63.7	-31.2	171.6	-61.4	0	0	0	0	117.5	P1652 N1660 C1668 Q1669	P1652-C1654 HydrophobicContact CB-CB 4.39Å; P1652-C1654 PolarHBondContact O-N 2.73Å; C1654-N1660 WeakPolarHBondContact CA-ND2 3.29Å; C1654-N1660 PolarHBondContact O-ND2 3.49Å; C1654-N1660 VanDerWaalsContact O-ND2 3.11Å; C1654-C1668 WeakPolarHBondContact CA-SG 3.47Å; C1654-C1668 HydrophobicContact CB-CB 3.35Å; C1654-C1668 WeakPolarHBondContact CB-SG 3.1Å; C1654-C1668 WeakPolarHBondContact SG-CB 2.99Å; C1654-C1668 PolarHBondContact SG-O 3.12Å; C1654-C1668 CovalentContact SG-SG 2.04Å; C1654-C1668 PolarHBondContact SG-SG 2.83Å; C1654-Q1669 VanDerWaalsContact SG-C 3.52Å; C1654-Q1669 PolarHBondContact SG-N 3.02Å
1655	L	56.6	Low	61.3	Low	124 Å²	124	72.4 Å²	72.4	65%	0.649	38%	0.38	S	S	*	.	G	3₁₀ helix	trans	-87.8	-8.5	175.4	-81.2	164.3	0	0	0	112.6	L1651 P1652	L1651-L1655 HydrophobicContact CD2-CB 3.78Å; P1652-L1655 HydrophobicContact CB-CD1 4.47Å; P1652-L1655 HydrophobicContact CG-CD1 4Å; P1652-L1655 PolarHBondContact O-N 2.9Å
1656	N	57.7	Low	61.6	Low	56 Å²	56	68.8 Å²	68.8	30%	0.299	37%	0.37	S	S	.	.			trans	-99.3	100.7	170.5	-179.2	-10.5	0	0	0	111.2	P1652 V1653 T1658 A1659 N1660	P1652-N1656 PolarHBondContact O-N 3.47Å; V1653-N1656 PolarHBondContact O-N 3.02Å; N1656-T1658 PolarHBondContact O-N 2.58Å; N1656-T1658 PolarHBondContact OD1-N 2.03Å; N1656-T1658 PolarHBondContact OD1-OG1 3.44Å; N1656-A1659 HydrophobicContact CB-CB 3.97Å; N1656-A1659 PolarHBondContact O-N 2.97Å; N1656-A1659 PolarHBondContact OD1-N 3.17Å; N1656-N1660 PolarHBondContact O-N 2.87Å; N1656-N1660 PolarHBondContact O-ND2 3.48Å
1657	K	53.8	Low	62.2	Low	201 Å²	201	69 Å²	69	87%	0.874	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	0.1	176.7	-67.6	-175.8	177.3	178.3	0	115.9
1658	T	59	Low	63.3	Low	128 Å²	128	69.9 Å²	69.9	79%	0.785	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-120.7	-4.6	175.3	65.9	0	0	0	0	114.2	N1656	N1656-T1658 PolarHBondContact O-N 2.58Å; N1656-T1658 PolarHBondContact OD1-N 2.03Å; N1656-T1658 PolarHBondContact OD1-OG1 3.44Å
1659	A	60.9	Low	63.9	Low	45 Å²	45	74.4 Å²	74.4	37%	0.372	39%	0.392	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.2	-26	178.9	0	0	0	0	0	113	V1653 N1656 Y1677	V1653-A1659 VanDerWaalsContact CG1-C 3.43Å; V1653-A1659 HydrophobicContact CG1-CB 3.8Å; V1653-A1659 VanDerWaalsContact CG1-O 3.31Å; V1653-A1659 WeakPolarHBondContact CG1-O 3.49Å; N1656-A1659 HydrophobicContact CB-CB 3.97Å; N1656-A1659 PolarHBondContact O-N 2.97Å; N1656-A1659 PolarHBondContact OD1-N 3.17Å; A1659-Y1677 WeakPolarHBondContact O-CE1 3.08Å
1660	N	65.4	Low	64.6	Low	24 Å²	24	74.4 Å²	74.4	13%	0.128	39%	0.386	C	S	.	.			trans	-96.6	154.3	157.4	78.3	90.3	0	0	0	111.1	V1653 C1654 N1656 C1662 Y1677	V1653-N1660 HydrophobicContact CG1-CB 4.22Å; V1653-N1660 WeakPolarHBondContact O-CB 3.46Å; V1653-N1660 PolarHBondContact O-N 3.31Å; V1653-N1660 PolarHBondContact O-ND2 2.97Å; C1654-N1660 WeakPolarHBondContact CA-ND2 3.29Å; C1654-N1660 PolarHBondContact O-ND2 3.49Å; C1654-N1660 VanDerWaalsContact O-ND2 3.11Å; N1656-N1660 PolarHBondContact O-N 2.87Å; N1656-N1660 PolarHBondContact O-ND2 3.48Å; N1660-C1662 WeakPolarHBondContact OD1-CB 3.36Å; N1660-C1662 PolarHBondContact OD1-N 3.08Å; N1660-Y1677 HydrophobicContact CB-CD2 3.76Å; N1660-Y1677 HydrophobicContact CB-CE1 4.45Å; N1660-Y1677 HydrophobicContact CB-CE2 3.67Å; N1660-Y1677 HydrophobicContact CB-CG 4.21Å
1661	D	77.1	Confident	65.4	Low	85 Å²	85	72.7 Å²	72.7	46%	0.455	38%	0.383	S	S	.	.			trans	-126.5	37.6	173.5	61.2	-5.2	0	0	0	110.7	Y1677 R1697	D1661-Y1677 PolarHBondContact OD1-OH 3.17Å; D1661-R1697 IonicContact OD1-CZ 3.41Å; D1661-R1697 IonicContact OD1-NE 3.37Å; D1661-R1697 IonicContact OD1-NH1 2.8Å; D1661-R1697 PolarHBondContact OD1-NH1 3.44Å; D1661-R1697 IonicContact OD1-NH2 3.46Å; D1661-R1697 PolarHBondContact OD1-NH2 3.18Å; D1661-R1697 IonicContact OD2-CZ 2.69Å; D1661-R1697 IonicContact OD2-NH1 2.71Å; D1661-R1697 PolarHBondContact OD2-NH1 2.93Å
1662	C	75.6	Confident	65.7	Low	21 Å²	21	74.2 Å²	74.2	14%	0.142	41%	0.409	C	S	.	.			trans	-66.8	152.3	172.6	-59.3	0	0	0	0	110.9	N1660 A1666 C1668 C1679	N1660-C1662 WeakPolarHBondContact OD1-CB 3.36Å; N1660-C1662 PolarHBondContact OD1-N 3.08Å; C1662-A1666 HydrophobicContact CB-CB 4.12Å; C1662-C1668 HydrophobicContact CB-CB 4.18Å; C1662-C1668 WeakPolarHBondContact SG-CB 3.24Å; C1662-C1668 PolarHBondContact SG-SG 3.25Å; C1662-C1679 WeakPolarHBondContact CA-SG 3.48Å; C1662-C1679 HydrophobicContact CB-CB 3.59Å; C1662-C1679 WeakPolarHBondContact CB-SG 3.03Å; C1662-C1679 WeakPolarHBondContact SG-CB 3.24Å; C1662-C1679 CovalentContact SG-SG 2.02Å; C1662-C1679 PolarHBondContact SG-SG 2.78Å
1663	H	73.7	Confident	65.5	Low	55 Å²	55	74.3 Å²	74.3	26%	0.255	42%	0.417	S	S	.	.			trans	-62.9	153.7	176.5	-161.3	-118.2	0	0	0	110.9	H1665 A1666 G1696 R1697 C1699	H1663-H1665 PolarHBondContact O-N 3.41Å; H1663-A1666 HydrophobicContact CB-CB 4.04Å; H1663-A1666 WeakPolarHBondContact O-CB 3.21Å; H1663-A1666 PolarHBondContact O-N 3.13Å; H1663-G1696 PolarHBondContact N-O 3.16Å; H1663-R1697 WeakPolarHBondContact CB-O 3.07Å; H1663-C1699 HydrophobicContact CB-CB 3.74Å; H1663-C1699 PolarHBondContact CE1-O 3.05Å; H1663-C1699 PolarHBondContact ND1-O 2.85Å
1664	K	71.9	Confident	65.2	Low	164 Å²	164	77.1 Å²	77.1	71%	0.713	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	-20.3	176.4	61.5	151.6	-178.7	158.8	0	114
1665	H	69.3	Low	65	Low	72 Å²	72	79.4 Å²	79.4	33%	0.333	46%	0.463	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111	25.4	178.2	-58	-38.9	0	0	0	112.5	H1663 R1682 Y1685	H1663-H1665 PolarHBondContact O-N 3.41Å; H1665-R1682 PolarHBondContact O-N 3.02Å; H1665-Y1685 HydrophobicContact CB-CD1 3.57Å; H1665-Y1685 HydrophobicContact CB-CD2 4Å; H1665-Y1685 HydrophobicContact CB-CE1 3.67Å; H1665-Y1685 HydrophobicContact CB-CE2 4Å; H1665-Y1685 HydrophobicContact CB-CG 3.79Å; H1665-Y1685 AromaticContact CD2-CD1 3.84Å; H1665-Y1685 AromaticContact CD2-CE1 3.15Å; H1665-Y1685 WeakPolarHBondContact CD2-CE1 3.29Å; H1665-Y1685 AromaticContact CD2-CZ 3.52Å; H1665-Y1685 AromaticContact CG-CE1 3.6Å; H1665-Y1685 AromaticContact CG-CZ 3.69Å; H1665-Y1685 AromaticContact NE2-CE1 3.8Å; H1665-Y1685 AromaticContact NE2-CZ 3.8Å; H1665-Y1685 PolarHBondContact NE2-OH 2.99Å; H1665-Y1685 VanDerWaalsContact NE2-OH 3.17Å
1666	A	70.9	Confident	65.2	Low	17 Å²	17	74.8 Å²	74.8	14%	0.14	45%	0.446	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	134.3	173.7	0	0	0	0	0	111.3	C1662 H1663 C1668 C1679 R1680 G1696	C1662-A1666 HydrophobicContact CB-CB 4.12Å; H1663-A1666 HydrophobicContact CB-CB 4.04Å; H1663-A1666 WeakPolarHBondContact O-CB 3.21Å; H1663-A1666 PolarHBondContact O-N 3.13Å; A1666-C1668 PolarHBondContact O-N 3.46Å; A1666-C1679 HydrophobicContact CB-CB 4.21Å; A1666-R1680 CarbonylContact C-O 2.98Å; A1666-R1680 VanDerWaalsContact CA-O 3.25Å; A1666-R1680 WeakPolarHBondContact CA-O 3.22Å; A1666-R1680 WeakPolarHBondContact CB-O 3.39Å; A1666-G1696 WeakPolarHBondContact CB-O 3.44Å
1667	I	75.5	Confident	65.9	Low	67 Å²	67	73.1 Å²	73.1	34%	0.344	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	112.2	161.5	-49	177.4	0	0	0	106.8	R1680 R1682	I1667-R1680 PolarHBondContact N-O 2.01Å; I1667-R1680 PolarHBondContact O-N 3.09Å; I1667-R1682 HydrophobicContact CD1-CG 4.13Å; I1667-R1682 HydrophobicContact CG1-CB 4.47Å; I1667-R1682 HydrophobicContact CG1-CG 3.55Å
1668	C	77.8	Confident	66.9	Low	25 Å²	25	65.4 Å²	65.4	17%	0.169	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	133.4	163.2	-175.7	0	0	0	0	109.1	C1654 C1662 A1666	C1654-C1668 WeakPolarHBondContact CA-SG 3.47Å; C1654-C1668 HydrophobicContact CB-CB 3.35Å; C1654-C1668 WeakPolarHBondContact CB-SG 3.1Å; C1654-C1668 WeakPolarHBondContact SG-CB 2.99Å; C1654-C1668 PolarHBondContact SG-O 3.12Å; C1654-C1668 CovalentContact SG-SG 2.04Å; C1654-C1668 PolarHBondContact SG-SG 2.83Å; C1662-C1668 HydrophobicContact CB-CB 4.18Å; C1662-C1668 WeakPolarHBondContact SG-CB 3.24Å; C1662-C1668 PolarHBondContact SG-SG 3.25Å; A1666-C1668 PolarHBondContact O-N 3.46Å
1669	Q	69.1	Low	67.7	Low	116 Å²	116	59.4 Å²	59.4	54%	0.542	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	126.2	177	-163.2	172	19.3	0	0	109.1	C1654 T1671 T1678	C1654-Q1669 VanDerWaalsContact SG-C 3.52Å; C1654-Q1669 PolarHBondContact SG-N 3.02Å; Q1669-T1671 PolarHBondContact O-N 2.75Å; Q1669-T1678 HydrophobicContact CB-CG2 4.22Å; Q1669-T1678 PolarHBondContact N-O 2.67Å; Q1669-T1678 PolarHBondContact O-N 2.03Å; Q1669-T1678 VanDerWaalsContact O-O 3.06Å
1670	E	63.9	Low	68.5	Low	75 Å²	75	62.5 Å²	62.5	35%	0.35	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	136.8	178.2	-77.9	-156.5	131.5	0	0	110.7	K1650 P1652 V1653	K1650-E1670 IonicContact NZ-OE1 3.55Å; K1650-E1670 PolarHBondContact NZ-OE1 3.21Å; K1650-E1670 IonicContact NZ-OE2 3.48Å; K1650-E1670 PolarHBondContact NZ-OE2 3.27Å; P1652-E1670 VanDerWaalsContact CA-CD 3.42Å; P1652-E1670 VanDerWaalsContact CA-OE1 3.25Å; P1652-E1670 WeakPolarHBondContact CA-OE1 3.42Å; P1652-E1670 HydrophobicContact CB-CG 3.82Å; V1653-E1670 PolarHBondContact N-OE1 2.73Å
1671	T	63.9	Low	68.8	Low	58 Å²	58	61.7 Å²	61.7	36%	0.356	37%	0.367	S	S	.	.			trans	-142.3	145.5	176.4	52.3	0	0	0	0	109.8	Q1669 G1673 G1676 Y1677 T1678	Q1669-T1671 PolarHBondContact O-N 2.75Å; T1671-G1673 PolarHBondContact O-N 3.36Å; T1671-G1676 PolarHBondContact N-O 2.88Å; T1671-G1676 CarbonylContact O-C 3.4Å; T1671-G1676 WeakPolarHBondContact O-CA 3.32Å; T1671-Y1677 VanDerWaalsContact OG1-C 3.31Å; T1671-T1678 HydrophobicContact CG2-CG2 3.67Å; T1671-T1678 PolarHBondContact OG1-N 3.23Å
1672	A	56.5	Low	68.2	Low	122 Å²	122	65.3 Å²	65.3	100%	1.008	37%	0.374	S	S	*	.	S	Bend	trans	-71.3	17.3	176.1	0	0	0	0	0	113.9
1673	G	52.1	Low	67.3	Low	43 Å²	43	70.1 Å²	70.1	44%	0.443	40%	0.398	S	S	.	.	S	Bend	trans	-73.9	171.5	171.6	0	0	0	0	0	112.3	T1671 D1675 G1676	T1671-G1673 PolarHBondContact O-N 3.36Å; G1673-D1675 PolarHBondContact O-N 3.13Å; G1673-G1676 PolarHBondContact O-N 3.23Å
1674	G	55.1	Low	66.1	Low	93 Å²	93	68.8 Å²	68.8	96%	0.959	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-12	-166	0	0	0	0	0	117.5
1675	D	58.5	Low	65.5	Low	76 Å²	76	63.2 Å²	63.2	41%	0.406	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.1	-11.4	176.7	-70	-58.1	0	0	0	113.8	G1673 Y1677 R1694	G1673-D1675 PolarHBondContact O-N 3.13Å; D1675-Y1677 VanDerWaalsContact C-N 3.3Å; D1675-Y1677 HydrophobicContact CB-CD1 4.3Å; D1675-Y1677 HydrophobicContact CB-CE1 4.05Å; D1675-Y1677 VanDerWaalsContact O-CD1 3.26Å; D1675-Y1677 WeakPolarHBondContact O-CD1 3.08Å; D1675-Y1677 WeakPolarHBondContact O-CE1 3.06Å; D1675-R1694 IonicContact OD1-CZ 2.67Å; D1675-R1694 IonicContact OD1-NE 2.72Å; D1675-R1694 IonicContact OD1-NH2 3.68Å; D1675-R1694 PolarHBondContact OD1-NH2 3.04Å; D1675-R1694 IonicContact OD2-CZ 2.63Å; D1675-R1694 VanDerWaalsContact OD2-CZ 3.29Å; D1675-R1694 IonicContact OD2-NE 3.54Å; D1675-R1694 PolarHBondContact OD2-NE 3.12Å; D1675-R1694 IonicContact OD2-NH2 2.78Å; D1675-R1694 PolarHBondContact OD2-NH2 2.79Å
1676	G	62.4	Low	65.2	Low	28 Å²	28	62.9 Å²	62.9	29%	0.289	38%	0.375	S	S	.	.	S	Bend	trans	84.2	-8.6	-174.3	0	0	0	0	0	115.6	T1671 G1673	T1671-G1676 PolarHBondContact N-O 2.88Å; T1671-G1676 CarbonylContact O-C 3.4Å; T1671-G1676 WeakPolarHBondContact O-CA 3.32Å; G1673-G1676 PolarHBondContact O-N 3.23Å
1677	Y	71.3	Confident	64.9	Low	20 Å²	20	64.9 Å²	64.9	8%	0.078	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	155.9	177.1	61.1	-74.4	0	0	0	110.9	V1653 A1659 N1660 D1661 T1671 D1675 R1697	V1653-Y1677 HydrophobicContact CB-CD1 3.91Å; V1653-Y1677 HydrophobicContact CB-CG 4.35Å; V1653-Y1677 HydrophobicContact CG1-CD1 3.29Å; V1653-Y1677 HydrophobicContact CG1-CE1 3.67Å; V1653-Y1677 HydrophobicContact CG1-CG 4Å; A1659-Y1677 WeakPolarHBondContact O-CE1 3.08Å; N1660-Y1677 HydrophobicContact CB-CD2 3.76Å; N1660-Y1677 HydrophobicContact CB-CE1 4.45Å; N1660-Y1677 HydrophobicContact CB-CE2 3.67Å; N1660-Y1677 HydrophobicContact CB-CG 4.21Å; D1661-Y1677 PolarHBondContact OD1-OH 3.17Å; T1671-Y1677 VanDerWaalsContact OG1-C 3.31Å; D1675-Y1677 VanDerWaalsContact C-N 3.3Å; D1675-Y1677 HydrophobicContact CB-CD1 4.3Å; D1675-Y1677 HydrophobicContact CB-CE1 4.05Å; D1675-Y1677 VanDerWaalsContact O-CD1 3.26Å; D1675-Y1677 WeakPolarHBondContact O-CD1 3.08Å; D1675-Y1677 WeakPolarHBondContact O-CE1 3.06Å; Y1677-R1697 PolarHBondContact OH-NH2 2.9Å; Y1677-R1697 VanDerWaalsContact OH-NH2 3.12Å
1678	T	74.6	Confident	64.6	Low	39 Å²	39	66.8 Å²	66.8	24%	0.239	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	159.1	159.2	-164.9	0	0	0	0	108.6	Q1669 T1671	Q1669-T1678 HydrophobicContact CB-CG2 4.22Å; Q1669-T1678 PolarHBondContact N-O 2.67Å; Q1669-T1678 PolarHBondContact O-N 2.03Å; Q1669-T1678 VanDerWaalsContact O-O 3.06Å; T1671-T1678 HydrophobicContact CG2-CG2 3.67Å; T1671-T1678 PolarHBondContact OG1-N 3.23Å
1679	C	76.6	Confident	64	Low	2 Å²	2	66 Å²	66	1%	0.014	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	145.4	166.5	-38.2	0	0	0	0	108	C1662 A1666 P1695 G1696	C1662-C1679 WeakPolarHBondContact CA-SG 3.48Å; C1662-C1679 HydrophobicContact CB-CB 3.59Å; C1662-C1679 WeakPolarHBondContact CB-SG 3.03Å; C1662-C1679 WeakPolarHBondContact SG-CB 3.24Å; C1662-C1679 CovalentContact SG-SG 2.02Å; C1662-C1679 PolarHBondContact SG-SG 2.78Å; A1666-C1679 HydrophobicContact CB-CB 4.21Å; C1679-P1695 VanDerWaalsContact CB-O 3.24Å; C1679-P1695 WeakPolarHBondContact CB-O 3.28Å; C1679-P1695 CarbonylContact O-C 3.58Å; C1679-P1695 VanDerWaalsContact O-C 3.31Å; C1679-P1695 VanDerWaalsContact O-O 3.13Å; C1679-G1696 WeakPolarHBondContact CB-O 3.05Å
1680	R	76.4	Confident	63.8	Low	110 Å²	110	65.7 Å²	65.7	42%	0.415	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	131.6	169	-171.9	180	80.5	89.5	-6.4	106.5	A1666 I1667 R1682 D1683	A1666-R1680 CarbonylContact C-O 2.98Å; A1666-R1680 VanDerWaalsContact CA-O 3.25Å; A1666-R1680 WeakPolarHBondContact CA-O 3.22Å; A1666-R1680 WeakPolarHBondContact CB-O 3.39Å; I1667-R1680 PolarHBondContact N-O 2.01Å; I1667-R1680 PolarHBondContact O-N 3.09Å; R1680-R1682 PolarHBondContact O-N 2.77Å; R1680-D1683 IonicContact CZ-OD1 3.68Å; R1680-D1683 IonicContact CZ-OD2 3.93Å; R1680-D1683 IonicContact NH1-OD1 3.74Å; R1680-D1683 PolarHBondContact NH1-OD1 3.46Å; R1680-D1683 IonicContact NH1-OD2 2.68Å; R1680-D1683 PolarHBondContact NH1-OD2 3.12Å; R1680-D1683 IonicContact NH2-OD1 2.81Å; R1680-D1683 PolarHBondContact NH2-OD1 2.81Å; R1680-D1683 IonicContact NH2-OD2 3.47Å; R1680-D1683 PolarHBondContact NH2-OD2 3.4Å
1681	C	72.8	Confident	63.8	Low	8 Å²	8	66 Å²	66	5%	0.054	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.6	141.6	172.8	-58.3	0	0	0	0	110.1	Y1685 D1687 C1699	C1681-Y1685 WeakPolarHBondContact CB-O 3.41Å; C1681-D1687 VanDerWaalsContact SG-CA 3.5Å; C1681-D1687 VanDerWaalsContact SG-CB 3.58Å; C1681-C1699 WeakPolarHBondContact CA-SG 3.21Å; C1681-C1699 HydrophobicContact CB-CB 3.75Å; C1681-C1699 WeakPolarHBondContact CB-SG 3.43Å; C1681-C1699 VanDerWaalsContact SG-CA 3.59Å; C1681-C1699 WeakPolarHBondContact SG-CB 3.42Å; C1681-C1699 CovalentContact SG-SG 2.03Å; C1681-C1699 PolarHBondContact SG-SG 2.01Å
1682	R	65.2	Low	63.5	Low	161 Å²	161	71.7 Å²	71.7	61%	0.608	43%	0.429	S	S	*	.	P	Polyproline II helix	trans	-57.1	148	169.6	-90.7	-172.9	166.3	179.5	-5.7	108.4	H1665 I1667 R1680 G1684 Y1685	H1665-R1682 PolarHBondContact O-N 3.02Å; I1667-R1682 HydrophobicContact CD1-CG 4.13Å; I1667-R1682 HydrophobicContact CG1-CB 4.47Å; I1667-R1682 HydrophobicContact CG1-CG 3.55Å; R1680-R1682 PolarHBondContact O-N 2.77Å; R1682-G1684 PolarHBondContact O-N 3.46Å; R1682-Y1685 HydrophobicContact CB-CD2 4.01Å; R1682-Y1685 WeakPolarHBondContact O-CA 3.25Å; R1682-Y1685 WeakPolarHBondContact O-CB 3.1Å; R1682-Y1685 PolarHBondContact O-N 2.65Å
1683	D	56.5	Low	63.7	Low	122 Å²	122	73.2 Å²	73.2	65%	0.652	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	128.4	175.1	-54.8	-70.8	0	0	0	108.6	R1680	R1680-D1683 IonicContact CZ-OD1 3.68Å; R1680-D1683 IonicContact CZ-OD2 3.93Å; R1680-D1683 IonicContact NH1-OD1 3.74Å; R1680-D1683 PolarHBondContact NH1-OD1 3.46Å; R1680-D1683 IonicContact NH1-OD2 2.68Å; R1680-D1683 PolarHBondContact NH1-OD2 3.12Å; R1680-D1683 IonicContact NH2-OD1 2.81Å; R1680-D1683 PolarHBondContact NH2-OD1 2.81Å; R1680-D1683 IonicContact NH2-OD2 3.47Å; R1680-D1683 PolarHBondContact NH2-OD2 3.4Å
1684	G	49	Very low	64.6	Low	27 Å²	27	75.2 Å²	75.2	28%	0.278	41%	0.413	S	S	.	.	T	Hydrogen-bonded Turn	trans	101.5	-8.5	-160.7	0	0	0	0	0	115.2	R1682 K1702	R1682-G1684 PolarHBondContact O-N 3.46Å; G1684-K1702 WeakPolarHBondContact O-CB 3.28Å; G1684-K1702 PolarHBondContact O-N 2.78Å; G1684-K1702 VanDerWaalsContact O-O 3.11Å
1685	Y	57.4	Low	65.1	Low	47 Å²	47	72.7 Å²	72.7	18%	0.184	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	133.1	177	-68.5	-92.6	0	0	0	111.9	H1665 C1681 R1682 K1700 E1701	H1665-Y1685 HydrophobicContact CB-CD1 3.57Å; H1665-Y1685 HydrophobicContact CB-CD2 4Å; H1665-Y1685 HydrophobicContact CB-CE1 3.67Å; H1665-Y1685 HydrophobicContact CB-CE2 4Å; H1665-Y1685 HydrophobicContact CB-CG 3.79Å; H1665-Y1685 AromaticContact CD2-CD1 3.84Å; H1665-Y1685 AromaticContact CD2-CE1 3.15Å; H1665-Y1685 WeakPolarHBondContact CD2-CE1 3.29Å; H1665-Y1685 AromaticContact CD2-CZ 3.52Å; H1665-Y1685 AromaticContact CG-CE1 3.6Å; H1665-Y1685 AromaticContact CG-CZ 3.69Å; H1665-Y1685 AromaticContact NE2-CE1 3.8Å; H1665-Y1685 AromaticContact NE2-CZ 3.8Å; H1665-Y1685 PolarHBondContact NE2-OH 2.99Å; H1665-Y1685 VanDerWaalsContact NE2-OH 3.17Å; C1681-Y1685 WeakPolarHBondContact CB-O 3.41Å; R1682-Y1685 HydrophobicContact CB-CD2 4.01Å; R1682-Y1685 WeakPolarHBondContact O-CA 3.25Å; R1682-Y1685 WeakPolarHBondContact O-CB 3.1Å; R1682-Y1685 PolarHBondContact O-N 2.65Å; Y1685-K1700 CarbonylContact C-O 3.46Å; Y1685-K1700 WeakPolarHBondContact CA-O 3.32Å; Y1685-K1700 WeakPolarHBondContact CB-O 3.13Å; Y1685-K1700 WeakPolarHBondContact CD1-O 3.42Å; Y1685-E1701 VanDerWaalsContact CD1-CA 3.49Å; Y1685-E1701 HydrophobicContact CD1-CB 4.44Å; Y1685-E1701 HydrophobicContact CD1-CG 4.36Å; Y1685-E1701 HydrophobicContact CE1-CB 4.27Å; Y1685-E1701 VanDerWaalsContact CE1-CD 3.5Å; Y1685-E1701 HydrophobicContact CE1-CG 3.8Å; Y1685-E1701 WeakPolarHBondContact CE1-OE1 3.14Å; Y1685-E1701 PolarHBondContact OH-OE1 3.47Å
1686	N	64.1	Low	65.6	Low	65 Å²	65	69.1 Å²	69.1	35%	0.348	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	135.1	-178.9	-131.6	-1.6	0	0	0	110.7	Q1688 K1700 K1702	N1686-Q1688 PolarHBondContact O-N 2.87Å; N1686-K1700 PolarHBondContact N-O 3.24Å; N1686-K1700 PolarHBondContact O-N 2.8Å; N1686-K1702 HydrophobicContact CB-CB 4.36Å; N1686-K1702 HydrophobicContact CB-CG 3.43Å; N1686-K1702 VanDerWaalsContact CB-CG 3.43Å
1687	D	65.2	Low	66.2	Low	58 Å²	58	70 Å²	70	31%	0.31	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	110.6	-177.1	-165.7	3.1	0	0	0	112	C1681 S1689 P1695 G1696	C1681-D1687 VanDerWaalsContact SG-CA 3.5Å; C1681-D1687 VanDerWaalsContact SG-CB 3.58Å; D1687-S1689 WeakPolarHBondContact OD1-CB 3.37Å; D1687-S1689 PolarHBondContact OD1-N 2.88Å; D1687-S1689 PolarHBondContact OD1-OG 2.82Å; D1687-P1695 WeakPolarHBondContact OD2-CA 2.69Å; D1687-P1695 WeakPolarHBondContact OD2-CB 2.62Å; D1687-G1696 VanDerWaalsContact CG-N 3.3Å; D1687-G1696 PolarHBondContact OD1-N 3.33Å; D1687-G1696 PolarHBondContact OD2-N 2.82Å
1688	Q	68.2	Low	66.4	Low	108 Å²	108	71.9 Å²	71.9	51%	0.505	37%	0.367	S	S	.	.			trans	-103.4	9	178.5	-65.6	-91.9	-59.5	0	0	111.8	N1686 A1690 D1698 K1700	N1686-Q1688 PolarHBondContact O-N 2.87Å; Q1688-A1690 PolarHBondContact O-N 3.41Å; Q1688-A1690 VanDerWaalsContact O-N 3.16Å; Q1688-D1698 WeakPolarHBondContact CA-O 3.39Å; Q1688-D1698 HydrophobicContact CB-CB 4.37Å; Q1688-D1698 WeakPolarHBondContact CB-O 3Å; Q1688-D1698 PolarHBondContact N-O 3.31Å; Q1688-K1700 HydrophobicContact CB-CG 4.45Å; Q1688-K1700 HydrophobicContact CG-CB 4.22Å; Q1688-K1700 HydrophobicContact CG-CD 4.02Å; Q1688-K1700 HydrophobicContact CG-CG 4.05Å
1689	S	65.7	Low	65.9	Low	8 Å²	8	70 Å²	70	6%	0.056	36%	0.356	C	S	.	.			trans	-56.6	118.3	-178.7	-56.3	0	0	0	0	111.2	D1687 D1691 G1696 R1697 D1698	D1687-S1689 WeakPolarHBondContact OD1-CB 3.37Å; D1687-S1689 PolarHBondContact OD1-N 2.88Å; D1687-S1689 PolarHBondContact OD1-OG 2.82Å; S1689-D1691 PolarHBondContact O-N 2.79Å; S1689-G1696 PolarHBondContact OG-N 2.87Å; S1689-R1697 PolarHBondContact OG-N 3.04Å; S1689-D1698 PolarHBondContact OG-N 3.39Å
1690	A	64.7	Low	65.1	Low	109 Å²	109	74.4 Å²	74.4	90%	0.901	37%	0.374	S	S	*	.	S	Bend	trans	-67.6	-0.5	-172.3	0	0	0	0	0	115.4	Q1688	Q1688-A1690 PolarHBondContact O-N 3.41Å; Q1688-A1690 VanDerWaalsContact O-N 3.16Å
1691	D	62.8	Low	63.8	Low	81 Å²	81	73.9 Å²	73.9	43%	0.433	38%	0.377	S	S	.	.	S	Bend	trans	-126.3	99.9	170.1	-177	2	0	0	0	108.8	S1689 L1693 R1694	S1689-D1691 PolarHBondContact O-N 2.79Å; D1691-L1693 PolarHBondContact O-N 2.02Å; D1691-L1693 PolarHBondContact OD1-N 3.3Å; D1691-R1694 PolarHBondContact O-N 3.14Å
1692	H	59.3	Low	62.9	Low	178 Å²	178	75.9 Å²	75.9	82%	0.824	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-2.3	-176	-54.7	-53	0	0	0	114.5
1693	L	59.7	Low	62.2	Low	155 Å²	155	72.9 Å²	72.9	81%	0.812	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.6	-11.3	172	-71.2	147.3	0	0	0	113.1	D1691	D1691-L1693 PolarHBondContact O-N 2.02Å; D1691-L1693 PolarHBondContact OD1-N 3.3Å
1694	R	70.5	Confident	62.1	Low	84 Å²	84	68.9 Å²	68.9	32%	0.317	36%	0.358	S	S	.	.	S	Bend	trans	-131.8	68.5	-179.1	-59.6	177.9	89.5	-140.1	9.2	109.3	D1675 D1691 R1697	D1675-R1694 IonicContact OD1-CZ 2.67Å; D1675-R1694 IonicContact OD1-NE 2.72Å; D1675-R1694 IonicContact OD1-NH2 3.68Å; D1675-R1694 PolarHBondContact OD1-NH2 3.04Å; D1675-R1694 IonicContact OD2-CZ 2.63Å; D1675-R1694 VanDerWaalsContact OD2-CZ 3.29Å; D1675-R1694 IonicContact OD2-NE 3.54Å; D1675-R1694 PolarHBondContact OD2-NE 3.12Å; D1675-R1694 IonicContact OD2-NH2 2.78Å; D1675-R1694 PolarHBondContact OD2-NH2 2.79Å; D1691-R1694 PolarHBondContact O-N 3.14Å; R1694-R1697 VanDerWaalsContact CZ-NH1 3.29Å; R1694-R1697 VanDerWaalsContact O-CD 3.3Å; R1694-R1697 WeakPolarHBondContact O-CD 3.39Å
1695	P	65.9	Low	62.8	Low	41 Å²	41	69.4 Å²	69.4	27%	0.266	35%	0.354	S	S	.	.			trans	-61.9	165	-175.3	25.6	-35.1	0	0	0	113.5	C1679 D1687	C1679-P1695 VanDerWaalsContact CB-O 3.24Å; C1679-P1695 WeakPolarHBondContact CB-O 3.28Å; C1679-P1695 CarbonylContact O-C 3.58Å; C1679-P1695 VanDerWaalsContact O-C 3.31Å; C1679-P1695 VanDerWaalsContact O-O 3.13Å; D1687-P1695 WeakPolarHBondContact OD2-CA 2.69Å; D1687-P1695 WeakPolarHBondContact OD2-CB 2.62Å
1696	G	69	Low	63.3	Low	0 Å²	0	68.9 Å²	68.9	0%	0	36%	0.356	C	S	.	.	S	Bend	trans	76	27.9	166.8	0	0	0	0	0	117.1	H1663 A1666 C1679 D1687 S1689 C1699	H1663-G1696 PolarHBondContact N-O 3.16Å; A1666-G1696 WeakPolarHBondContact CB-O 3.44Å; C1679-G1696 WeakPolarHBondContact CB-O 3.05Å; D1687-G1696 VanDerWaalsContact CG-N 3.3Å; D1687-G1696 PolarHBondContact OD1-N 3.33Å; D1687-G1696 PolarHBondContact OD2-N 2.82Å; S1689-G1696 PolarHBondContact OG-N 2.87Å; G1696-C1699 VanDerWaalsContact CA-SG 3.51Å
1697	R	76.5	Confident	63	Low	47 Å²	47	72.2 Å²	72.2	18%	0.177	37%	0.374	C	S	.	.	S	Bend	trans	-110.3	-27.4	-175.1	-63.4	170	176.4	-112.5	-16	113.5	D1661 H1663 Y1677 S1689 R1694	D1661-R1697 IonicContact OD1-CZ 3.41Å; D1661-R1697 IonicContact OD1-NE 3.37Å; D1661-R1697 IonicContact OD1-NH1 2.8Å; D1661-R1697 PolarHBondContact OD1-NH1 3.44Å; D1661-R1697 IonicContact OD1-NH2 3.46Å; D1661-R1697 PolarHBondContact OD1-NH2 3.18Å; D1661-R1697 IonicContact OD2-CZ 2.69Å; D1661-R1697 IonicContact OD2-NH1 2.71Å; D1661-R1697 PolarHBondContact OD2-NH1 2.93Å; H1663-R1697 WeakPolarHBondContact CB-O 3.07Å; Y1677-R1697 PolarHBondContact OH-NH2 2.9Å; Y1677-R1697 VanDerWaalsContact OH-NH2 3.12Å; S1689-R1697 PolarHBondContact OG-N 3.04Å; R1694-R1697 VanDerWaalsContact CZ-NH1 3.29Å; R1694-R1697 VanDerWaalsContact O-CD 3.3Å; R1694-R1697 WeakPolarHBondContact O-CD 3.39Å
1698	D	73.6	Confident	62.5	Low	59 Å²	59	72.1 Å²	72.1	32%	0.316	37%	0.373	S	S	.	.	S	Bend	trans	-121.7	83.4	164.3	-178.9	-3.5	0	0	0	107.8	Q1688 S1689 K1700	Q1688-D1698 WeakPolarHBondContact CA-O 3.39Å; Q1688-D1698 HydrophobicContact CB-CB 4.37Å; Q1688-D1698 WeakPolarHBondContact CB-O 3Å; Q1688-D1698 PolarHBondContact N-O 3.31Å; S1689-D1698 PolarHBondContact OG-N 3.39Å; D1698-K1700 WeakPolarHBondContact OD1-CG 3.25Å; D1698-K1700 IonicContact OD1-NZ 2.7Å; D1698-K1700 PolarHBondContact OD1-NZ 2.69Å; D1698-K1700 IonicContact OD2-NZ 3.88Å; D1698-K1700 PolarHBondContact OD2-NZ 2.79Å
1699	C	66	Low	62.1	Low	0 Å²	0	71.2 Å²	71.2	0%	0	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	89.3	177.2	-65.5	0	0	0	0	109.5	H1663 C1681 G1696	H1663-C1699 HydrophobicContact CB-CB 3.74Å; H1663-C1699 PolarHBondContact CE1-O 3.05Å; H1663-C1699 PolarHBondContact ND1-O 2.85Å; C1681-C1699 WeakPolarHBondContact CA-SG 3.21Å; C1681-C1699 HydrophobicContact CB-CB 3.75Å; C1681-C1699 WeakPolarHBondContact CB-SG 3.43Å; C1681-C1699 VanDerWaalsContact SG-CA 3.59Å; C1681-C1699 WeakPolarHBondContact SG-CB 3.42Å; C1681-C1699 CovalentContact SG-SG 2.03Å; C1681-C1699 PolarHBondContact SG-SG 2.01Å; G1696-C1699 VanDerWaalsContact CA-SG 3.51Å
1700	K	57.8	Low	61.8	Low	94 Å²	94	73.9 Å²	73.9	41%	0.409	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71	157.7	165.5	-59.4	-172.4	-176.2	60.3	0	108.5	Y1685 N1686 Q1688 D1698 K1702	Y1685-K1700 CarbonylContact C-O 3.46Å; Y1685-K1700 WeakPolarHBondContact CA-O 3.32Å; Y1685-K1700 WeakPolarHBondContact CB-O 3.13Å; Y1685-K1700 WeakPolarHBondContact CD1-O 3.42Å; N1686-K1700 PolarHBondContact N-O 3.24Å; N1686-K1700 PolarHBondContact O-N 2.8Å; Q1688-K1700 HydrophobicContact CB-CG 4.45Å; Q1688-K1700 HydrophobicContact CG-CB 4.22Å; Q1688-K1700 HydrophobicContact CG-CD 4.02Å; Q1688-K1700 HydrophobicContact CG-CG 4.05Å; D1698-K1700 WeakPolarHBondContact OD1-CG 3.25Å; D1698-K1700 IonicContact OD1-NZ 2.7Å; D1698-K1700 PolarHBondContact OD1-NZ 2.69Å; D1698-K1700 IonicContact OD2-NZ 3.88Å; D1698-K1700 PolarHBondContact OD2-NZ 2.79Å; K1700-K1702 PolarHBondContact O-N 3.17Å
1701	E	51	Low	61.6	Low	100 Å²	100	72.6 Å²	72.6	47%	0.467	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-47	136.5	165.6	-111.6	99.4	-144.6	0	0	108.3	Y1685 I1703	Y1685-E1701 VanDerWaalsContact CD1-CA 3.49Å; Y1685-E1701 HydrophobicContact CD1-CB 4.44Å; Y1685-E1701 HydrophobicContact CD1-CG 4.36Å; Y1685-E1701 HydrophobicContact CE1-CB 4.27Å; Y1685-E1701 VanDerWaalsContact CE1-CD 3.5Å; Y1685-E1701 HydrophobicContact CE1-CG 3.8Å; Y1685-E1701 WeakPolarHBondContact CE1-OE1 3.14Å; Y1685-E1701 PolarHBondContact OH-OE1 3.47Å; E1701-I1703 HydrophobicContact CB-CG1 4.11Å; E1701-I1703 PolarHBondContact O-N 3.13Å; E1701-I1703 VanDerWaalsContact O-N 3.14Å
1702	K	52.4	Low	61.7	Low	49 Å²	49	69.8 Å²	69.8	21%	0.213	36%	0.359	C	S	.	.			trans	-63.7	109.8	135.5	-85.1	-170.5	133.3	-151.5	0	101.2	G1684 N1686 K1700 N1704 D1722	G1684-K1702 WeakPolarHBondContact O-CB 3.28Å; G1684-K1702 PolarHBondContact O-N 2.78Å; G1684-K1702 VanDerWaalsContact O-O 3.11Å; N1686-K1702 HydrophobicContact CB-CB 4.36Å; N1686-K1702 HydrophobicContact CB-CG 3.43Å; N1686-K1702 VanDerWaalsContact CB-CG 3.43Å; K1700-K1702 PolarHBondContact O-N 3.17Å; K1702-N1704 HydrophobicContact CB-CB 4.48Å; K1702-N1704 PolarHBondContact O-N 2.77Å; K1702-D1722 VanDerWaalsContact CD-OD2 3.32Å; K1702-D1722 WeakPolarHBondContact CD-OD2 3Å; K1702-D1722 WeakPolarHBondContact CE-OD2 2.9Å; K1702-D1722 IonicContact NZ-OD1 3.38Å; K1702-D1722 PolarHBondContact NZ-OD1 2.03Å; K1702-D1722 IonicContact NZ-OD2 3.44Å; K1702-D1722 PolarHBondContact NZ-OD2 3.13Å
1703	I	50.7	Low	62.4	Low	98 Å²	98	65.3 Å²	65.3	50%	0.503	34%	0.342	S	S	.	.			trans	-69.4	75.7	158.2	-49.8	-179.7	0	0	0	103.3	E1701 E1705 L1711	E1701-I1703 HydrophobicContact CB-CG1 4.11Å; E1701-I1703 PolarHBondContact O-N 3.13Å; E1701-I1703 VanDerWaalsContact O-N 3.14Å; I1703-E1705 HydrophobicContact CG2-CG 3.99Å; I1703-E1705 WeakPolarHBondContact O-CG 3.19Å; I1703-E1705 PolarHBondContact O-N 3.08Å; I1703-E1705 VanDerWaalsContact O-OE2 3.11Å; I1703-L1711 HydrophobicContact CG2-CB 4.26Å; I1703-L1711 HydrophobicContact CG2-CD1 3.37Å; I1703-L1711 HydrophobicContact CG2-CG 4.39Å
1704	N	54.7	Low	63.1	Low	39 Å²	39	58.8 Å²	58.8	21%	0.209	31%	0.309	C	S	.	.			trans	-64	94.8	164.5	167.6	-3.7	0	0	0	101.9	K1702 C1706 L1707 D1722	K1702-N1704 HydrophobicContact CB-CB 4.48Å; K1702-N1704 PolarHBondContact O-N 2.77Å; N1704-C1706 PolarHBondContact O-N 2.84Å; N1704-C1706 WeakPolarHBondContact OD1-CB 3.39Å; N1704-C1706 PolarHBondContact OD1-N 2.81Å; N1704-C1706 VanDerWaalsContact OD1-N 3.16Å; N1704-C1706 PolarHBondContact OD1-SG 2.87Å; N1704-C1706 VanDerWaalsContact OD1-SG 3.42Å; N1704-L1707 HydrophobicContact CB-CD1 4.06Å; N1704-L1707 HydrophobicContact CB-CG 4.17Å; N1704-L1707 PolarHBondContact O-N 3.32Å; N1704-D1722 HydrophobicContact CB-CB 3.93Å; N1704-D1722 VanDerWaalsContact OD1-CB 3.31Å; N1704-D1722 WeakPolarHBondContact OD1-CB 3.17Å
1705	E	64.3	Low	63	Low	38 Å²	38	56.1 Å²	56.1	18%	0.178	30%	0.301	C	S	.	.	G	3₁₀ helix	trans	-63.6	-11.3	-169.8	-59.8	97.1	153.9	0	0	110.9	I1703 D1708 L1711 N1712 Y1727	I1703-E1705 HydrophobicContact CG2-CG 3.99Å; I1703-E1705 WeakPolarHBondContact O-CG 3.19Å; I1703-E1705 PolarHBondContact O-N 3.08Å; I1703-E1705 VanDerWaalsContact O-OE2 3.11Å; E1705-D1708 CarbonylContact O-C 3.53Å; E1705-D1708 PolarHBondContact O-N 2.79Å; E1705-L1711 HydrophobicContact CB-CB 3.96Å; E1705-L1711 HydrophobicContact CG-CB 4Å; E1705-N1712 HydrophobicContact CB-CB 3.88Å; E1705-N1712 WeakPolarHBondContact O-CB 3.48Å; E1705-N1712 PolarHBondContact O-ND2 3.31Å; E1705-Y1727 HydrophobicContact CB-CD1 3.53Å; E1705-Y1727 HydrophobicContact CB-CE1 4.1Å; E1705-Y1727 HydrophobicContact CB-CG 3.97Å; E1705-Y1727 HydrophobicContact CG-CD1 3.64Å; E1705-Y1727 HydrophobicContact CG-CE1 4.09Å; E1705-Y1727 HydrophobicContact CG-CG 4.5Å; E1705-Y1727 WeakPolarHBondContact OE2-CB 3.01Å; E1705-Y1727 WeakPolarHBondContact OE2-CD1 3.29Å; E1705-Y1727 PolarHBondContact OE2-N 3.28Å
1706	C	67.3	Low	63.1	Low	36 Å²	36	60.1 Å²	60.1	24%	0.243	33%	0.33	C	S	.	.	G	3₁₀ helix	trans	-76.6	-15	173.5	-41.8	0	0	0	0	114.8	N1704 C1720 E1721	N1704-C1706 PolarHBondContact O-N 2.84Å; N1704-C1706 WeakPolarHBondContact OD1-CB 3.39Å; N1704-C1706 PolarHBondContact OD1-N 2.81Å; N1704-C1706 VanDerWaalsContact OD1-N 3.16Å; N1704-C1706 PolarHBondContact OD1-SG 2.87Å; N1704-C1706 VanDerWaalsContact OD1-SG 3.42Å; C1706-C1720 WeakPolarHBondContact CA-SG 2.97Å; C1706-C1720 HydrophobicContact CB-CB 3.37Å; C1706-C1720 WeakPolarHBondContact CB-SG 3Å; C1706-C1720 VanDerWaalsContact SG-CA 3.54Å; C1706-C1720 WeakPolarHBondContact SG-CB 3.33Å; C1706-C1720 PolarHBondContact SG-O 2.62Å; C1706-C1720 CovalentContact SG-SG 2.03Å; C1706-C1720 PolarHBondContact SG-SG 2.87Å; C1706-E1721 PolarHBondContact SG-N 2.93Å; C1706-E1721 VanDerWaalsContact SG-N 3.39Å
1707	L	58.3	Low	62.9	Low	135 Å²	135	62.5 Å²	62.5	71%	0.707	35%	0.345	S	S	*	.	G	3₁₀ helix	trans	-80.5	-18.4	170.4	-67.5	175.3	0	0	0	112.4	N1704	N1704-L1707 HydrophobicContact CB-CD1 4.06Å; N1704-L1707 HydrophobicContact CB-CG 4.17Å; N1704-L1707 PolarHBondContact O-N 3.32Å
1708	D	54.5	Low	62.4	Low	56 Å²	56	61 Å²	61	30%	0.299	34%	0.343	S	S	.	.	S	Bend	trans	-135.6	109	177	-177.8	-16.8	0	0	0	111.1	R1311 E1705 S1710 L1711 N1712	R1311-D1708 IonicContact CZ-OD1 3.72Å; R1311-D1708 IonicContact NH1-OD1 2.96Å; R1311-D1708 IonicContact NH2-OD1 2.86Å; R1311-D1708 PolarHBondContact NH2-OD1 3.34Å; R1311-D1708 IonicContact NH2-OD2 2.78Å; E1705-D1708 CarbonylContact O-C 3.53Å; E1705-D1708 PolarHBondContact O-N 2.79Å; D1708-S1710 PolarHBondContact O-N 2.8Å; D1708-S1710 WeakPolarHBondContact OD1-CB 3.41Å; D1708-S1710 PolarHBondContact OD1-N 3.06Å; D1708-S1710 PolarHBondContact OD1-OG 2.99Å; D1708-S1710 PolarHBondContact OD2-OG 3.19Å; D1708-L1711 HydrophobicContact CB-CD1 4.07Å; D1708-L1711 HydrophobicContact CB-CG 4.19Å; D1708-L1711 PolarHBondContact O-N 3.44Å; D1708-N1712 PolarHBondContact O-N 3.21Å
1709	S	59.4	Low	62.4	Low	88 Å²	88	61.5 Å²	61.5	62%	0.615	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	8.8	178.5	54.4	0	0	0	0	116.6	R1311	R1311-S1709 PolarHBondContact NH1-O 2.91Å; R1311-S1709 PolarHBondContact NH1-OG 3.35Å
1710	S	60.1	Low	62.9	Low	64 Å²	64	62.7 Å²	62.7	45%	0.448	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.7	-21.8	165.6	63.7	0	0	0	0	113.5	R1311 D1708	R1311-S1710 VanDerWaalsContact CZ-CB 3.48Å; D1708-S1710 PolarHBondContact O-N 2.8Å; D1708-S1710 WeakPolarHBondContact OD1-CB 3.41Å; D1708-S1710 PolarHBondContact OD1-N 3.06Å; D1708-S1710 PolarHBondContact OD1-OG 2.99Å; D1708-S1710 PolarHBondContact OD2-OG 3.19Å
1711	L	60	Low	63.4	Low	83 Å²	83	62 Å²	62	44%	0.435	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.5	-26.5	-174.9	-55.2	-179.2	0	0	0	110.6	I1703 E1705 D1708 Y1727	I1703-L1711 HydrophobicContact CG2-CB 4.26Å; I1703-L1711 HydrophobicContact CG2-CD1 3.37Å; I1703-L1711 HydrophobicContact CG2-CG 4.39Å; E1705-L1711 HydrophobicContact CB-CB 3.96Å; E1705-L1711 HydrophobicContact CG-CB 4Å; D1708-L1711 HydrophobicContact CB-CD1 4.07Å; D1708-L1711 HydrophobicContact CB-CG 4.19Å; D1708-L1711 PolarHBondContact O-N 3.44Å; L1711-Y1727 WeakPolarHBondContact O-CE1 3.18Å
1712	N	64.9	Low	63.6	Low	21 Å²	21	59.4 Å²	59.4	11%	0.112	34%	0.34	C	S	.	.			trans	-98	153.9	163.3	84.6	82.3	0	0	0	112.1	E1705 D1708 C1714 Y1727	E1705-N1712 HydrophobicContact CB-CB 3.88Å; E1705-N1712 WeakPolarHBondContact O-CB 3.48Å; E1705-N1712 PolarHBondContact O-ND2 3.31Å; D1708-N1712 PolarHBondContact O-N 3.21Å; N1712-C1714 WeakPolarHBondContact OD1-CB 3.32Å; N1712-C1714 PolarHBondContact OD1-N 3.49Å; N1712-C1714 PolarHBondContact OD1-SG 3.19Å; N1712-C1714 VanDerWaalsContact OD1-SG 3.4Å; N1712-Y1727 HydrophobicContact CB-CD1 4.32Å; N1712-Y1727 HydrophobicContact CB-CD2 3.62Å; N1712-Y1727 HydrophobicContact CB-CE1 4.32Å; N1712-Y1727 HydrophobicContact CB-CE2 3.65Å; N1712-Y1727 HydrophobicContact CB-CG 3.96Å
1713	D	73.4	Confident	64.1	Low	84 Å²	84	60.2 Å²	60.2	45%	0.449	35%	0.349	S	S	.	.			trans	-120	41	169.4	65.6	-6.6	0	0	0	111	Y1727 R1747	D1713-Y1727 PolarHBondContact N-OH 2.81Å; D1713-Y1727 VanDerWaalsContact OD1-CE2 3.3Å; D1713-Y1727 WeakPolarHBondContact OD1-CE2 3.48Å; D1713-Y1727 PolarHBondContact OD1-OH 3.23Å; D1713-R1747 VanDerWaalsContact CG-CZ 3.49Å; D1713-R1747 WeakPolarHBondContact O-CG 3.33Å; D1713-R1747 IonicContact OD1-CZ 2.68Å; D1713-R1747 IonicContact OD1-NE 3.54Å; D1713-R1747 IonicContact OD1-NH1 2.76Å; D1713-R1747 PolarHBondContact OD1-NH1 3.21Å; D1713-R1747 IonicContact OD1-NH2 2.67Å; D1713-R1747 PolarHBondContact OD1-NH2 2.99Å; D1713-R1747 IonicContact OD2-CZ 2.75Å; D1713-R1747 IonicContact OD2-NH1 3.52Å; D1713-R1747 PolarHBondContact OD2-NH1 3.34Å; D1713-R1747 IonicContact OD2-NH2 2.68Å
1714	C	74.3	Confident	64.1	Low	19 Å²	19	64.2 Å²	64.2	13%	0.128	37%	0.365	C	S	.	.			trans	-73	164.2	167.1	-55	0	0	0	0	110.9	N1712 A1718 C1720 C1729	N1712-C1714 WeakPolarHBondContact OD1-CB 3.32Å; N1712-C1714 PolarHBondContact OD1-N 3.49Å; N1712-C1714 PolarHBondContact OD1-SG 3.19Å; N1712-C1714 VanDerWaalsContact OD1-SG 3.4Å; C1714-A1718 HydrophobicContact CB-CB 4.1Å; C1714-C1720 HydrophobicContact CB-CB 4.27Å; C1714-C1720 VanDerWaalsContact SG-CB 3.55Å; C1714-C1729 WeakPolarHBondContact CA-SG 3.07Å; C1714-C1729 HydrophobicContact CB-CB 3.58Å; C1714-C1729 WeakPolarHBondContact CB-SG 3.47Å; C1714-C1729 WeakPolarHBondContact SG-CB 3.22Å; C1714-C1729 CovalentContact SG-SG 2.02Å; C1714-C1729 PolarHBondContact SG-SG 2.59Å
1715	D	68.6	Low	64	Low	27 Å²	27	67.1 Å²	67.1	14%	0.144	40%	0.395	C	S	.	.			trans	-63.9	146.4	167.3	-167.4	-77.7	0	0	0	109.9	T1717 A1718 G1746 F1748 C1749	D1715-T1717 PolarHBondContact O-N 2.87Å; D1715-T1717 VanDerWaalsContact O-N 3.1Å; D1715-T1717 WeakPolarHBondContact OD1-CB 3.17Å; D1715-T1717 PolarHBondContact OD1-N 3.3Å; D1715-T1717 PolarHBondContact OD1-OG1 2.9Å; D1715-A1718 HydrophobicContact CB-CB 3.92Å; D1715-A1718 WeakPolarHBondContact O-CB 3.47Å; D1715-A1718 PolarHBondContact O-N 2.66Å; D1715-G1746 PolarHBondContact N-O 3.45Å; D1715-F1748 WeakPolarHBondContact OD2-CA 3.44Å; D1715-C1749 HydrophobicContact CB-CB 3.83Å; D1715-C1749 VanDerWaalsContact CG-N 3.28Å; D1715-C1749 PolarHBondContact OD2-N 2.54Å
1716	S	68.4	Low	63.7	Low	126 Å²	126	67.8 Å²	67.8	88%	0.881	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-15.9	178.1	54.5	0	0	0	0	113.5
1717	T	63.8	Low	63.7	Low	50 Å²	50	67.9 Å²	67.9	31%	0.307	40%	0.399	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.3	-4.3	173.2	69.8	0	0	0	0	113.7	D1715 P1732 Y1735 C1749	D1715-T1717 PolarHBondContact O-N 2.87Å; D1715-T1717 VanDerWaalsContact O-N 3.1Å; D1715-T1717 WeakPolarHBondContact OD1-CB 3.17Å; D1715-T1717 PolarHBondContact OD1-N 3.3Å; D1715-T1717 PolarHBondContact OD1-OG1 2.9Å; T1717-P1732 WeakPolarHBondContact O-CD 3.17Å; T1717-P1732 WeakPolarHBondContact O-CG 3.24Å; T1717-Y1735 VanDerWaalsContact CB-CE1 3.44Å; T1717-Y1735 HydrophobicContact CG2-CE1 3.87Å; T1717-C1749 WeakPolarHBondContact OG1-CB 3.29Å; T1717-C1749 PolarHBondContact OG1-O 2.79Å
1718	A	66.6	Low	64.3	Low	16 Å²	16	63.9 Å²	63.9	13%	0.132	38%	0.383	C	S	.	.	S	Bend	trans	-76	141.9	176.1	0	0	0	0	0	111.8	C1714 D1715 C1720 C1729 G1746	C1714-A1718 HydrophobicContact CB-CB 4.1Å; D1715-A1718 HydrophobicContact CB-CB 3.92Å; D1715-A1718 WeakPolarHBondContact O-CB 3.47Å; D1715-A1718 PolarHBondContact O-N 2.66Å; A1718-C1720 PolarHBondContact O-N 3.44Å; A1718-C1720 VanDerWaalsContact O-N 3.11Å; A1718-C1729 HydrophobicContact CB-CB 4.43Å; A1718-G1746 WeakPolarHBondContact CB-O 3.07Å
1719	I	74.3	Confident	65.3	Low	69 Å²	69	61.3 Å²	61.3	35%	0.354	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	103.1	160.4	-56	177.8	0	0	0	106.5	E1721 R1730 P1732	I1719-E1721 HydrophobicContact CG2-CG 3.98Å; I1719-R1730 WeakPolarHBondContact CA-O 3.17Å; I1719-R1730 HydrophobicContact CB-CG 4.29Å; I1719-R1730 PolarHBondContact N-O 2.64Å; I1719-R1730 PolarHBondContact O-N 3.45Å; I1719-R1730 VanDerWaalsContact O-O 3.12Å; I1719-P1732 HydrophobicContact CD1-CB 4.05Å; I1719-P1732 HydrophobicContact CD1-CG 4.31Å; I1719-P1732 HydrophobicContact CG1-CB 4.26Å; I1719-P1732 HydrophobicContact CG1-CG 3.96Å
1720	C	75.7	Confident	66	Low	24 Å²	24	62 Å²	62	16%	0.162	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73	129.2	164.1	179.7	0	0	0	0	108.7	C1706 C1714 A1718	C1706-C1720 WeakPolarHBondContact CA-SG 2.97Å; C1706-C1720 HydrophobicContact CB-CB 3.37Å; C1706-C1720 WeakPolarHBondContact CB-SG 3Å; C1706-C1720 VanDerWaalsContact SG-CA 3.54Å; C1706-C1720 WeakPolarHBondContact SG-CB 3.33Å; C1706-C1720 PolarHBondContact SG-O 2.62Å; C1706-C1720 CovalentContact SG-SG 2.03Å; C1706-C1720 PolarHBondContact SG-SG 2.87Å; C1714-C1720 HydrophobicContact CB-CB 4.27Å; C1714-C1720 VanDerWaalsContact SG-CB 3.55Å; A1718-C1720 PolarHBondContact O-N 3.44Å; A1718-C1720 VanDerWaalsContact O-N 3.11Å
1721	E	68.1	Low	66.5	Low	80 Å²	80	59.9 Å²	59.9	37%	0.374	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	116.6	176	-64.6	-176.3	135.8	0	0	109.7	C1706 I1719 T1723 S1728 R1730	C1706-E1721 PolarHBondContact SG-N 2.93Å; C1706-E1721 VanDerWaalsContact SG-N 3.39Å; I1719-E1721 HydrophobicContact CG2-CG 3.98Å; E1721-T1723 PolarHBondContact O-N 3.02Å; E1721-S1728 PolarHBondContact N-O 3.3Å; E1721-S1728 PolarHBondContact O-N 3.23Å; E1721-R1730 IonicContact OE1-CZ 2.78Å; E1721-R1730 IonicContact OE1-NE 3.29Å; E1721-R1730 PolarHBondContact OE1-NE 2.03Å; E1721-R1730 IonicContact OE1-NH2 3.93Å; E1721-R1730 PolarHBondContact OE1-NH2 3.26Å; E1721-R1730 VanDerWaalsContact OE2-CD 3.32Å; E1721-R1730 WeakPolarHBondContact OE2-CD 3.24Å; E1721-R1730 IonicContact OE2-CZ 2.95Å; E1721-R1730 IonicContact OE2-NE 3.11Å; E1721-R1730 PolarHBondContact OE2-NE 2.94Å
1722	D	56.9	Low	66.7	Low	46 Å²	46	57.3 Å²	57.3	25%	0.246	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	125	173.5	158.6	37.5	0	0	0	111	K1702 N1704	K1702-D1722 VanDerWaalsContact CD-OD2 3.32Å; K1702-D1722 WeakPolarHBondContact CD-OD2 3Å; K1702-D1722 WeakPolarHBondContact CE-OD2 2.9Å; K1702-D1722 IonicContact NZ-OD1 3.38Å; K1702-D1722 PolarHBondContact NZ-OD1 2.03Å; K1702-D1722 IonicContact NZ-OD2 3.44Å; K1702-D1722 PolarHBondContact NZ-OD2 3.13Å; N1704-D1722 HydrophobicContact CB-CB 3.93Å; N1704-D1722 VanDerWaalsContact OD1-CB 3.31Å; N1704-D1722 WeakPolarHBondContact OD1-CB 3.17Å
1723	T	62	Low	66.2	Low	66 Å²	66	64.8 Å²	64.8	41%	0.405	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	154.5	173.1	91	0	0	0	0	109.5	E1721 A1725 S1726	E1721-T1723 PolarHBondContact O-N 3.02Å; T1723-A1725 PolarHBondContact O-N 3.37Å; T1723-S1726 WeakPolarHBondContact CA-O 2.86Å; T1723-S1726 VanDerWaalsContact CB-O 3.3Å; T1723-S1726 WeakPolarHBondContact CB-O 3.2Å; T1723-S1726 PolarHBondContact N-O 3.03Å; T1723-S1726 VanDerWaalsContact N-O 3.15Å; T1723-S1726 CarbonylContact O-C 3.52Å; T1723-S1726 PolarHBondContact O-N 3.15Å; T1723-S1726 PolarHBondContact OG1-O 3.39Å
1724	E	51.1	Low	65.2	Low	181 Å²	181	62.1 Å²	62.1	85%	0.846	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-1.3	-165.4	-56.7	-175.4	134.7	0	0	117.4
1725	A	52.9	Low	64.7	Low	101 Å²	101	64 Å²	64	84%	0.835	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-140.3	2.3	172.7	0	0	0	0	0	115.6	T1723	T1723-A1725 PolarHBondContact O-N 3.37Å
1726	S	57.7	Low	64.4	Low	51 Å²	51	66.4 Å²	66.4	36%	0.357	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	173	147.7	-178.8	173.8	0	0	0	0	109.4	T1723	T1723-S1726 WeakPolarHBondContact CA-O 2.86Å; T1723-S1726 VanDerWaalsContact CB-O 3.3Å; T1723-S1726 WeakPolarHBondContact CB-O 3.2Å; T1723-S1726 PolarHBondContact N-O 3.03Å; T1723-S1726 VanDerWaalsContact N-O 3.15Å; T1723-S1726 CarbonylContact O-C 3.52Å; T1723-S1726 PolarHBondContact O-N 3.15Å; T1723-S1726 PolarHBondContact OG1-O 3.39Å
1727	Y	67.1	Low	64.3	Low	38 Å²	38	63.5 Å²	63.5	15%	0.149	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-51.8	152.6	159.6	65.6	-74.1	0	0	0	115	E1705 L1711 N1712 D1713 R1747	E1705-Y1727 HydrophobicContact CB-CD1 3.53Å; E1705-Y1727 HydrophobicContact CB-CE1 4.1Å; E1705-Y1727 HydrophobicContact CB-CG 3.97Å; E1705-Y1727 HydrophobicContact CG-CD1 3.64Å; E1705-Y1727 HydrophobicContact CG-CE1 4.09Å; E1705-Y1727 HydrophobicContact CG-CG 4.5Å; E1705-Y1727 WeakPolarHBondContact OE2-CB 3.01Å; E1705-Y1727 WeakPolarHBondContact OE2-CD1 3.29Å; E1705-Y1727 PolarHBondContact OE2-N 3.28Å; L1711-Y1727 WeakPolarHBondContact O-CE1 3.18Å; N1712-Y1727 HydrophobicContact CB-CD1 4.32Å; N1712-Y1727 HydrophobicContact CB-CD2 3.62Å; N1712-Y1727 HydrophobicContact CB-CE1 4.32Å; N1712-Y1727 HydrophobicContact CB-CE2 3.65Å; N1712-Y1727 HydrophobicContact CB-CG 3.96Å; D1713-Y1727 PolarHBondContact N-OH 2.81Å; D1713-Y1727 VanDerWaalsContact OD1-CE2 3.3Å; D1713-Y1727 WeakPolarHBondContact OD1-CE2 3.48Å; D1713-Y1727 PolarHBondContact OD1-OH 3.23Å; Y1727-R1747 VanDerWaalsContact CE2-NH2 3.33Å
1728	S	71.5	Confident	64.4	Low	51 Å²	51	66 Å²	66	36%	0.357	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	130.9	169.8	172.5	0	0	0	0	108.3	E1721	E1721-S1728 PolarHBondContact N-O 3.3Å; E1721-S1728 PolarHBondContact O-N 3.23Å
1729	C	73.9	Confident	64.3	Low	3 Å²	3	66 Å²	66	2%	0.02	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	140.5	178.3	-37.4	0	0	0	0	110.3	C1714 A1718 P1745 G1746	C1714-C1729 WeakPolarHBondContact CA-SG 3.07Å; C1714-C1729 HydrophobicContact CB-CB 3.58Å; C1714-C1729 WeakPolarHBondContact CB-SG 3.47Å; C1714-C1729 WeakPolarHBondContact SG-CB 3.22Å; C1714-C1729 CovalentContact SG-SG 2.02Å; C1714-C1729 PolarHBondContact SG-SG 2.59Å; A1718-C1729 HydrophobicContact CB-CB 4.43Å; C1729-P1745 WeakPolarHBondContact CB-O 3.16Å; C1729-P1745 CarbonylContact O-C 3.21Å; C1729-G1746 VanDerWaalsContact CB-C 3.48Å; C1729-G1746 WeakPolarHBondContact CB-O 3.34Å
1730	R	74.5	Confident	63.8	Low	103 Å²	103	69.1 Å²	69.1	39%	0.389	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	142.2	165.7	64.1	173	174.6	88.1	2.9	111.4	I1719 E1721	I1719-R1730 WeakPolarHBondContact CA-O 3.17Å; I1719-R1730 HydrophobicContact CB-CG 4.29Å; I1719-R1730 PolarHBondContact N-O 2.64Å; I1719-R1730 PolarHBondContact O-N 3.45Å; I1719-R1730 VanDerWaalsContact O-O 3.12Å; E1721-R1730 IonicContact OE1-CZ 2.78Å; E1721-R1730 IonicContact OE1-NE 3.29Å; E1721-R1730 PolarHBondContact OE1-NE 2.03Å; E1721-R1730 IonicContact OE1-NH2 3.93Å; E1721-R1730 PolarHBondContact OE1-NH2 3.26Å; E1721-R1730 VanDerWaalsContact OE2-CD 3.32Å; E1721-R1730 WeakPolarHBondContact OE2-CD 3.24Å; E1721-R1730 IonicContact OE2-CZ 2.95Å; E1721-R1730 IonicContact OE2-NE 3.11Å; E1721-R1730 PolarHBondContact OE2-NE 2.94Å
1731	C	70.5	Confident	62.9	Low	19 Å²	19	72 Å²	72	13%	0.128	40%	0.4	C	S	.	.	P	Polyproline II helix	trans	-66.7	141.3	171.8	-53.2	0	0	0	0	110.2	D1737 C1749	C1731-D1737 WeakPolarHBondContact SG-CA 3.22Å; C1731-D1737 VanDerWaalsContact SG-CB 3.54Å; C1731-C1749 WeakPolarHBondContact CA-SG 3.35Å; C1731-C1749 HydrophobicContact CB-CB 3.9Å; C1731-C1749 WeakPolarHBondContact CB-SG 3.1Å; C1731-C1749 VanDerWaalsContact SG-CA 3.55Å; C1731-C1749 WeakPolarHBondContact SG-CB 3.06Å; C1731-C1749 CovalentContact SG-SG 2.04Å; C1731-C1749 PolarHBondContact SG-SG 3.22Å
1732	P	63.7	Low	62.3	Low	28 Å²	28	76.8 Å²	76.8	18%	0.182	43%	0.425	C	S	.	.	P	Polyproline II helix	trans	-57.8	163	172	-12.3	15.6	0	0	0	112.3	T1717 I1719 G1734 Y1735	T1717-P1732 WeakPolarHBondContact O-CD 3.17Å; T1717-P1732 WeakPolarHBondContact O-CG 3.24Å; I1719-P1732 HydrophobicContact CD1-CB 4.05Å; I1719-P1732 HydrophobicContact CD1-CG 4.31Å; I1719-P1732 HydrophobicContact CG1-CB 4.26Å; I1719-P1732 HydrophobicContact CG1-CG 3.96Å; P1732-G1734 PolarHBondContact O-N 2.03Å; P1732-Y1735 HydrophobicContact CB-CD2 3.73Å; P1732-Y1735 HydrophobicContact CB-CE2 4.33Å; P1732-Y1735 HydrophobicContact CB-CG 4.45Å; P1732-Y1735 HydrophobicContact CG-CD2 3.55Å; P1732-Y1735 HydrophobicContact CG-CE2 4.01Å; P1732-Y1735 HydrophobicContact CG-CG 4Å; P1732-Y1735 PolarHBondContact O-N 2.93Å
1733	L	54.9	Low	62.4	Low	179 Å²	179	82.8 Å²	82.8	94%	0.937	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	124.8	163.6	-66.6	173.9	0	0	0	107.9
1734	G	53.2	Low	62.8	Low	27 Å²	27	84.2 Å²	84.2	28%	0.278	45%	0.451	S	S	.	.	T	Hydrogen-bonded Turn	trans	95.5	13.1	-164.4	0	0	0	0	0	114.5	P1732 L1752	P1732-G1734 PolarHBondContact O-N 2.03Å; G1734-L1752 CarbonylContact O-C 3.44Å; G1734-L1752 WeakPolarHBondContact O-CA 3.47Å; G1734-L1752 WeakPolarHBondContact O-CB 3.21Å; G1734-L1752 PolarHBondContact O-N 3.49Å
1735	Y	63.4	Low	63.4	Low	60 Å²	60	78.2 Å²	78.2	24%	0.235	43%	0.428	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	132.9	172.5	-72.3	-107.4	0	0	0	110.6	T1717 P1732 C1749 T1750 K1751	T1717-Y1735 VanDerWaalsContact CB-CE1 3.44Å; T1717-Y1735 HydrophobicContact CG2-CE1 3.87Å; P1732-Y1735 HydrophobicContact CB-CD2 3.73Å; P1732-Y1735 HydrophobicContact CB-CE2 4.33Å; P1732-Y1735 HydrophobicContact CB-CG 4.45Å; P1732-Y1735 HydrophobicContact CG-CD2 3.55Å; P1732-Y1735 HydrophobicContact CG-CE2 4.01Å; P1732-Y1735 HydrophobicContact CG-CG 4Å; P1732-Y1735 PolarHBondContact O-N 2.93Å; Y1735-C1749 HydrophobicContact CD1-CB 4.43Å; Y1735-T1750 CarbonylContact C-O 3.35Å; Y1735-K1751 VanDerWaalsContact CD1-CA 3.46Å; Y1735-K1751 HydrophobicContact CD1-CB 3.88Å; Y1735-K1751 HydrophobicContact CD1-CG 4.03Å; Y1735-K1751 HydrophobicContact CD2-CG 4.31Å; Y1735-K1751 HydrophobicContact CE1-CB 3.63Å; Y1735-K1751 HydrophobicContact CE1-CD 4.07Å; Y1735-K1751 HydrophobicContact CE1-CG 3.61Å; Y1735-K1751 HydrophobicContact CE2-CD 4.3Å; Y1735-K1751 HydrophobicContact CE2-CG 3.92Å; Y1735-K1751 HydrophobicContact CG-CG 4.34Å; Y1735-K1751 WeakPolarHBondContact OH-CD 3.38Å; Y1735-K1751 WeakPolarHBondContact OH-CE 3.32Å
1736	L	63.1	Low	64.1	Low	76 Å²	76	73.4 Å²	73.4	40%	0.398	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	125.2	178.4	-168.1	78.4	0	0	0	109.6	Q1738 T1750 L1752	L1736-Q1738 HydrophobicContact CD2-CG 4.13Å; L1736-Q1738 PolarHBondContact O-N 2.79Å; L1736-T1750 PolarHBondContact N-O 2.69Å; L1736-T1750 PolarHBondContact O-N 3.16Å; L1736-T1750 PolarHBondContact O-OG1 3.42Å; L1736-T1750 VanDerWaalsContact O-OG1 3.14Å; L1736-L1752 HydrophobicContact CB-CD2 3.96Å; L1736-L1752 HydrophobicContact CB-CG 3.88Å; L1736-L1752 HydrophobicContact CD1-CD2 4.2Å
1737	D	65.3	Low	64.9	Low	65 Å²	65	73.7 Å²	73.7	35%	0.348	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	112.2	176.1	-162.6	-18.6	0	0	0	111.4	C1731 S1739 P1745 G1746	C1731-D1737 WeakPolarHBondContact SG-CA 3.22Å; C1731-D1737 VanDerWaalsContact SG-CB 3.54Å; D1737-S1739 WeakPolarHBondContact OD1-CB 3.28Å; D1737-S1739 PolarHBondContact OD1-N 3.43Å; D1737-S1739 PolarHBondContact OD1-OG 2.98Å; D1737-P1745 WeakPolarHBondContact OD2-CA 3.22Å; D1737-P1745 WeakPolarHBondContact OD2-CB 3.08Å; D1737-G1746 PolarHBondContact OD1-N 2.64Å; D1737-G1746 PolarHBondContact OD2-N 2.74Å
1738	Q	65.9	Low	65	Low	104 Å²	104	76.5 Å²	76.5	49%	0.486	40%	0.395	S	S	.	.			trans	-110.6	17.6	175.6	-63.9	-160.6	46.3	0	0	112.1	L1736 F1748 T1750	L1736-Q1738 HydrophobicContact CD2-CG 4.13Å; L1736-Q1738 PolarHBondContact O-N 2.79Å; Q1738-F1748 HydrophobicContact CB-CD1 3.83Å; Q1738-F1748 HydrophobicContact CB-CE1 4.5Å; Q1738-F1748 PolarHBondContact N-O 3.35Å; Q1738-T1750 HydrophobicContact CG-CG2 4.24Å; Q1738-T1750 VanDerWaalsContact NE2-CG2 3.35Å; Q1738-T1750 PolarHBondContact NE2-OG1 2.75Å
1739	S	65.6	Low	64.7	Low	15 Å²	15	74.2 Å²	74.2	11%	0.105	38%	0.379	C	S	.	.			trans	-56.7	126.7	-179.9	-55.3	0	0	0	0	111.7	D1737 D1741 K1744 G1746 R1747 F1748	D1737-S1739 WeakPolarHBondContact OD1-CB 3.28Å; D1737-S1739 PolarHBondContact OD1-N 3.43Å; D1737-S1739 PolarHBondContact OD1-OG 2.98Å; S1739-D1741 PolarHBondContact O-N 3.39Å; S1739-D1741 VanDerWaalsContact O-N 3.09Å; S1739-K1744 WeakPolarHBondContact CB-O 3.23Å; S1739-G1746 PolarHBondContact OG-N 2.67Å; S1739-R1747 PolarHBondContact OG-N 3.2Å; S1739-F1748 PolarHBondContact N-O 3.16Å; S1739-F1748 PolarHBondContact OG-N 2.83Å
1740	P	62.3	Low	64.1	Low	134 Å²	134	74.8 Å²	74.8	87%	0.87	38%	0.382	S	S	*	.	S	Bend	trans	-72.5	-4.5	-171.1	27	-35.1	0	0	0	115.3
1741	D	57.9	Low	63.2	Low	86 Å²	86	73.9 Å²	73.9	46%	0.46	38%	0.381	S	S	.	.	S	Bend	trans	-120.5	112.4	170.2	-174.7	-14.1	0	0	0	110	S1739 H1743 K1744	S1739-D1741 PolarHBondContact O-N 3.39Å; S1739-D1741 VanDerWaalsContact O-N 3.09Å; D1741-H1743 PolarHBondContact O-N 2.78Å; D1741-H1743 PolarHBondContact OD1-N 3.44Å; D1741-K1744 CarbonylContact O-C 3.41Å; D1741-K1744 PolarHBondContact O-N 2.79Å
1742	M	55.1	Low	62.4	Low	180 Å²	180	75.1 Å²	75.1	89%	0.887	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.9	2.4	-178.4	-59.5	-171.8	76.5	0	0	114.7
1743	H	59.7	Low	61.7	Low	172 Å²	172	75.9 Å²	75.9	80%	0.796	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.6	1.2	170.3	-66	-20.8	0	0	0	113.6	D1741	D1741-H1743 PolarHBondContact O-N 2.78Å; D1741-H1743 PolarHBondContact OD1-N 3.44Å
1744	K	69.1	Low	61.7	Low	96 Å²	96	69.4 Å²	69.4	42%	0.417	35%	0.354	S	S	.	.	S	Bend	trans	-132.6	69.3	171.4	-86.6	170.3	165.9	-84.8	0	109.2	S1739 D1741	S1739-K1744 WeakPolarHBondContact CB-O 3.23Å; D1741-K1744 CarbonylContact O-C 3.41Å; D1741-K1744 PolarHBondContact O-N 2.79Å
1745	P	63.8	Low	62.2	Low	54 Å²	54	69.7 Å²	69.7	35%	0.351	35%	0.348	S	S	.	.			trans	-58.4	168	173	27.3	-36	0	0	0	112	C1729 D1737 R1747	C1729-P1745 WeakPolarHBondContact CB-O 3.16Å; C1729-P1745 CarbonylContact O-C 3.21Å; D1737-P1745 WeakPolarHBondContact OD2-CA 3.22Å; D1737-P1745 WeakPolarHBondContact OD2-CB 3.08Å; P1745-R1747 PolarHBondContact O-N 3.15Å
1746	G	68.4	Low	62.3	Low	0 Å²	0	68.3 Å²	68.3	0%	0	35%	0.348	C	S	.	.	S	Bend	trans	70.1	21.2	171.4	0	0	0	0	0	116.7	D1715 A1718 C1729 D1737 S1739 C1749	D1715-G1746 PolarHBondContact N-O 3.45Å; A1718-G1746 WeakPolarHBondContact CB-O 3.07Å; C1729-G1746 VanDerWaalsContact CB-C 3.48Å; C1729-G1746 WeakPolarHBondContact CB-O 3.34Å; D1737-G1746 PolarHBondContact OD1-N 2.64Å; D1737-G1746 PolarHBondContact OD2-N 2.74Å; S1739-G1746 PolarHBondContact OG-N 2.67Å; G1746-C1749 VanDerWaalsContact CA-SG 3.59Å
1747	R	73	Confident	62.3	Low	57 Å²	57	72.1 Å²	72.1	22%	0.215	37%	0.365	C	S	.	.	S	Bend	trans	-110.4	-9.1	-179.1	-59	-173.7	177	-137.5	-23.7	114.1	D1713 Y1727 S1739 P1745	D1713-R1747 VanDerWaalsContact CG-CZ 3.49Å; D1713-R1747 WeakPolarHBondContact O-CG 3.33Å; D1713-R1747 IonicContact OD1-CZ 2.68Å; D1713-R1747 IonicContact OD1-NE 3.54Å; D1713-R1747 IonicContact OD1-NH1 2.76Å; D1713-R1747 PolarHBondContact OD1-NH1 3.21Å; D1713-R1747 IonicContact OD1-NH2 2.67Å; D1713-R1747 PolarHBondContact OD1-NH2 2.99Å; D1713-R1747 IonicContact OD2-CZ 2.75Å; D1713-R1747 IonicContact OD2-NH1 3.52Å; D1713-R1747 PolarHBondContact OD2-NH1 3.34Å; D1713-R1747 IonicContact OD2-NH2 2.68Å; Y1727-R1747 VanDerWaalsContact CE2-NH2 3.33Å; S1739-R1747 PolarHBondContact OG-N 3.2Å; P1745-R1747 PolarHBondContact O-N 3.15Å
1748	F	70	Confident	61.8	Low	97 Å²	97	73.1 Å²	73.1	43%	0.425	37%	0.369	S	S	.	.	S	Bend	trans	-144.7	100.2	161.9	-163.3	-121.2	0	0	0	107.7	D1715 Q1738 S1739 T1750	D1715-F1748 WeakPolarHBondContact OD2-CA 3.44Å; Q1738-F1748 HydrophobicContact CB-CD1 3.83Å; Q1738-F1748 HydrophobicContact CB-CE1 4.5Å; Q1738-F1748 PolarHBondContact N-O 3.35Å; S1739-F1748 PolarHBondContact N-O 3.16Å; S1739-F1748 PolarHBondContact OG-N 2.83Å; F1748-T1750 HydrophobicContact CD1-CG2 4.34Å; F1748-T1750 HydrophobicContact CE1-CG2 3.83Å; F1748-T1750 HydrophobicContact CZ-CG2 4.26Å
1749	C	64.8	Low	61.2	Low	4 Å²	4	73.8 Å²	73.8	3%	0.027	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	81	-173.4	-72.3	0	0	0	0	109.8	D1715 T1717 C1731 Y1735 G1746 K1751	D1715-C1749 HydrophobicContact CB-CB 3.83Å; D1715-C1749 VanDerWaalsContact CG-N 3.28Å; D1715-C1749 PolarHBondContact OD2-N 2.54Å; T1717-C1749 WeakPolarHBondContact OG1-CB 3.29Å; T1717-C1749 PolarHBondContact OG1-O 2.79Å; C1731-C1749 WeakPolarHBondContact CA-SG 3.35Å; C1731-C1749 HydrophobicContact CB-CB 3.9Å; C1731-C1749 WeakPolarHBondContact CB-SG 3.1Å; C1731-C1749 VanDerWaalsContact SG-CA 3.55Å; C1731-C1749 WeakPolarHBondContact SG-CB 3.06Å; C1731-C1749 CovalentContact SG-SG 2.04Å; C1731-C1749 PolarHBondContact SG-SG 3.22Å; Y1735-C1749 HydrophobicContact CD1-CB 4.43Å; G1746-C1749 VanDerWaalsContact CA-SG 3.59Å; C1749-K1751 PolarHBondContact O-N 3.45Å
1750	T	61.2	Low	60.7	Low	15 Å²	15	73.9 Å²	73.9	9%	0.092	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62	136	167.8	56.5	0	0	0	0	109	Y1735 L1736 Q1738 F1748 L1752	Y1735-T1750 CarbonylContact C-O 3.35Å; L1736-T1750 PolarHBondContact N-O 2.69Å; L1736-T1750 PolarHBondContact O-N 3.16Å; L1736-T1750 PolarHBondContact O-OG1 3.42Å; L1736-T1750 VanDerWaalsContact O-OG1 3.14Å; Q1738-T1750 HydrophobicContact CG-CG2 4.24Å; Q1738-T1750 VanDerWaalsContact NE2-CG2 3.35Å; Q1738-T1750 PolarHBondContact NE2-OG1 2.75Å; F1748-T1750 HydrophobicContact CD1-CG2 4.34Å; F1748-T1750 HydrophobicContact CE1-CG2 3.83Å; F1748-T1750 HydrophobicContact CZ-CG2 4.26Å; T1750-L1752 PolarHBondContact O-N 2.97Å
1751	K	56	Low	60.4	Low	84 Å²	84	69.3 Å²	69.3	37%	0.365	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61	133	177.2	-161.7	169.8	-172.1	175	0	109.7	Y1735 C1749 I1753	Y1735-K1751 VanDerWaalsContact CD1-CA 3.46Å; Y1735-K1751 HydrophobicContact CD1-CB 3.88Å; Y1735-K1751 HydrophobicContact CD1-CG 4.03Å; Y1735-K1751 HydrophobicContact CD2-CG 4.31Å; Y1735-K1751 HydrophobicContact CE1-CB 3.63Å; Y1735-K1751 HydrophobicContact CE1-CD 4.07Å; Y1735-K1751 HydrophobicContact CE1-CG 3.61Å; Y1735-K1751 HydrophobicContact CE2-CD 4.3Å; Y1735-K1751 HydrophobicContact CE2-CG 3.92Å; Y1735-K1751 HydrophobicContact CG-CG 4.34Å; Y1735-K1751 WeakPolarHBondContact OH-CD 3.38Å; Y1735-K1751 WeakPolarHBondContact OH-CE 3.32Å; C1749-K1751 PolarHBondContact O-N 3.45Å; K1751-I1753 HydrophobicContact CB-CG1 3.92Å; K1751-I1753 HydrophobicContact CD-CG1 4.43Å; K1751-I1753 HydrophobicContact CG-CG1 4.23Å; K1751-I1753 PolarHBondContact O-N 2.81Å
1752	L	54	Low	60.5	Low	45 Å²	45	65.8 Å²	65.8	24%	0.236	33%	0.333	C	S	.	.			trans	-73	87.9	149.9	-73.8	167.6	0	0	0	102	G1734 L1736 T1750 N1754 P1774	G1734-L1752 CarbonylContact O-C 3.44Å; G1734-L1752 WeakPolarHBondContact O-CA 3.47Å; G1734-L1752 WeakPolarHBondContact O-CB 3.21Å; G1734-L1752 PolarHBondContact O-N 3.49Å; L1736-L1752 HydrophobicContact CB-CD2 3.96Å; L1736-L1752 HydrophobicContact CB-CG 3.88Å; L1736-L1752 HydrophobicContact CD1-CD2 4.2Å; T1750-L1752 PolarHBondContact O-N 2.97Å; L1752-N1754 PolarHBondContact O-N 2.95Å; L1752-P1774 VanDerWaalsContact CD2-O 3.31Å; L1752-P1774 WeakPolarHBondContact CD2-O 3.17Å
1753	I	49.4	Very low	61.1	Low	43 Å²	43	60.4 Å²	60.4	22%	0.221	31%	0.307	C	S	.	.			trans	-57.8	101.9	176.9	-55.3	170.9	0	0	0	103.4	K1751 E1755 M1761	K1751-I1753 HydrophobicContact CB-CG1 3.92Å; K1751-I1753 HydrophobicContact CD-CG1 4.43Å; K1751-I1753 HydrophobicContact CG-CG1 4.23Å; K1751-I1753 PolarHBondContact O-N 2.81Å; I1753-E1755 HydrophobicContact CB-CG 4.14Å; I1753-E1755 HydrophobicContact CG2-CG 3.9Å; I1753-E1755 VanDerWaalsContact O-CG 3.23Å; I1753-E1755 WeakPolarHBondContact O-CG 3.38Å; I1753-E1755 PolarHBondContact O-N 3.15Å; I1753-E1755 VanDerWaalsContact O-OE2 3.05Å; I1753-M1761 HydrophobicContact CD1-SD 3.93Å; I1753-M1761 HydrophobicContact CG2-CB 4Å; I1753-M1761 HydrophobicContact CG2-CE 3.59Å; I1753-M1761 HydrophobicContact CG2-CG 4.47Å; I1753-M1761 HydrophobicContact CG2-SD 3.73Å
1754	N	53.8	Low	61.8	Low	43 Å²	43	52.9 Å²	52.9	23%	0.23	27%	0.274	C	S	.	.			trans	-66.5	88.5	168.8	175.9	-60.6	0	0	0	103.2	L1752 C1756 M1757 D1772	L1752-N1754 PolarHBondContact O-N 2.95Å; N1754-C1756 PolarHBondContact O-N 2.94Å; N1754-C1756 VanDerWaalsContact O-N 3.07Å; N1754-C1756 WeakPolarHBondContact OD1-CB 3.38Å; N1754-M1757 HydrophobicContact CB-CB 4.43Å; N1754-M1757 PolarHBondContact O-N 2.19Å; N1754-M1757 WeakPolarHBondContact OD1-CB 3.19Å; N1754-M1757 WeakPolarHBondContact OD1-CG 3.34Å; N1754-M1757 PolarHBondContact OD1-N 3.12Å; N1754-D1772 VanDerWaalsContact ND2-CB 3.29Å; N1754-D1772 WeakPolarHBondContact ND2-CB 2.95Å; N1754-D1772 PolarHBondContact ND2-OD2 2.6Å
1755	E	64.2	Low	61.5	Low	33 Å²	33	49.8 Å²	49.8	15%	0.154	26%	0.264	C	S	.	.	G	3₁₀ helix	trans	-62.6	-27.6	-165.9	-65.4	104.6	159.9	0	0	108.8	I1753 M1757 M1758 M1761 N1762 G1776 Y1777	I1753-E1755 HydrophobicContact CB-CG 4.14Å; I1753-E1755 HydrophobicContact CG2-CG 3.9Å; I1753-E1755 VanDerWaalsContact O-CG 3.23Å; I1753-E1755 WeakPolarHBondContact O-CG 3.38Å; I1753-E1755 PolarHBondContact O-N 3.15Å; I1753-E1755 VanDerWaalsContact O-OE2 3.05Å; E1755-M1757 VanDerWaalsContact C-N 3.31Å; E1755-M1757 PolarHBondContact O-N 2.81Å; E1755-M1758 CarbonylContact O-C 3.35Å; E1755-M1758 PolarHBondContact O-N 3.08Å; E1755-M1758 VanDerWaalsContact O-N 3.14Å; E1755-M1761 HydrophobicContact CB-CB 4.49Å; E1755-M1761 HydrophobicContact CG-CB 4.39Å; E1755-N1762 HydrophobicContact CB-CB 3.74Å; E1755-N1762 WeakPolarHBondContact O-CB 3.49Å; E1755-N1762 PolarHBondContact O-ND2 2.98Å; E1755-G1776 WeakPolarHBondContact OE1-CA 2.98Å; E1755-G1776 WeakPolarHBondContact OE2-CA 3.12Å; E1755-Y1777 HydrophobicContact CB-CD1 3.46Å; E1755-Y1777 VanDerWaalsContact CB-CD1 3.46Å; E1755-Y1777 HydrophobicContact CB-CE1 4Å; E1755-Y1777 HydrophobicContact CB-CG 3.99Å; E1755-Y1777 VanDerWaalsContact CD-CD1 3.41Å; E1755-Y1777 HydrophobicContact CG-CD1 3.58Å; E1755-Y1777 HydrophobicContact CG-CE1 4.01Å; E1755-Y1777 WeakPolarHBondContact OE2-CB 3.38Å; E1755-Y1777 WeakPolarHBondContact OE2-CD1 3.47Å; E1755-Y1777 PolarHBondContact OE2-N 3.21Å
1756	C	66.6	Low	61.6	Low	32 Å²	32	56.9 Å²	56.9	22%	0.216	28%	0.284	C	S	.	.	G	3₁₀ helix	trans	-60.9	-27	174	-48.5	0	0	0	0	115.5	N1754 C1770 D1772	N1754-C1756 PolarHBondContact O-N 2.94Å; N1754-C1756 VanDerWaalsContact O-N 3.07Å; N1754-C1756 WeakPolarHBondContact OD1-CB 3.38Å; C1756-C1770 WeakPolarHBondContact CA-SG 3.11Å; C1756-C1770 HydrophobicContact CB-CB 3.34Å; C1756-C1770 WeakPolarHBondContact CB-O 3Å; C1756-C1770 WeakPolarHBondContact CB-SG 3.16Å; C1756-C1770 PolarHBondContact N-SG 3.13Å; C1756-C1770 VanDerWaalsContact N-SG 3.43Å; C1756-C1770 VanDerWaalsContact SG-CA 3.58Å; C1756-C1770 WeakPolarHBondContact SG-CB 3.19Å; C1756-C1770 PolarHBondContact SG-O 3.34Å; C1756-C1770 CovalentContact SG-SG 2.03Å; C1756-C1770 PolarHBondContact SG-SG 2.85Å; C1756-D1772 PolarHBondContact SG-N 3.31Å
1757	M	62.3	Low	61.5	Low	156 Å²	156	58.8 Å²	58.8	77%	0.768	29%	0.292	S	S	*	.	G	3₁₀ helix	trans	-87.1	-5.9	175.5	-83.6	-172.1	157.3	0	0	113.6	N1754 E1755	N1754-M1757 HydrophobicContact CB-CB 4.43Å; N1754-M1757 PolarHBondContact O-N 2.19Å; N1754-M1757 WeakPolarHBondContact OD1-CB 3.19Å; N1754-M1757 WeakPolarHBondContact OD1-CG 3.34Å; N1754-M1757 PolarHBondContact OD1-N 3.12Å; E1755-M1757 VanDerWaalsContact C-N 3.31Å; E1755-M1757 PolarHBondContact O-N 2.81Å
1758	M	54.5	Low	61.3	Low	86 Å²	86	56.5 Å²	56.5	42%	0.424	29%	0.285	S	S	.	.	S	Bend	trans	-134.1	99.3	177.1	-75.4	178	159.7	0	0	109.8	E1755 A1760 M1761	E1755-M1758 CarbonylContact O-C 3.35Å; E1755-M1758 PolarHBondContact O-N 3.08Å; E1755-M1758 VanDerWaalsContact O-N 3.14Å; M1758-A1760 PolarHBondContact O-N 3.18Å; M1758-M1761 HydrophobicContact CB-CE 4.12Å; M1758-M1761 HydrophobicContact CG-CE 4.4Å; M1758-M1761 PolarHBondContact O-N 3.02Å; M1758-M1761 HydrophobicContact SD-CE 3.41Å; M1758-M1761 WeakPolarHBondContact SD-CE 3.45Å
1759	P	53.7	Low	61.4	Low	117 Å²	117	55.1 Å²	55.1	76%	0.76	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-8.4	-174.3	-28.3	36.2	0	0	0	117.2
1760	A	54.9	Low	61.8	Low	18 Å²	18	56.1 Å²	56.1	15%	0.149	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.7	-23.7	171.6	0	0	0	0	0	113.7	P1360 R1391 M1758	P1360-A1760 WeakPolarHBondContact CD-O 3.39Å; R1391-A1760 WeakPolarHBondContact O-CB 3.07Å; M1758-A1760 PolarHBondContact O-N 3.18Å
1761	M	56.3	Low	62.2	Low	37 Å²	37	58.7 Å²	58.7	18%	0.182	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.4	-15.9	-173.4	-68.2	-164.5	-83.9	0	0	113.9	D1357 I1753 E1755 M1758	D1357-M1761 HydrophobicContact CB-CE 4.08Å; D1357-M1761 HydrophobicContact CB-CG 4.37Å; D1357-M1761 HydrophobicContact CB-SD 3.96Å; I1753-M1761 HydrophobicContact CD1-SD 3.93Å; I1753-M1761 HydrophobicContact CG2-CB 4Å; I1753-M1761 HydrophobicContact CG2-CE 3.59Å; I1753-M1761 HydrophobicContact CG2-CG 4.47Å; I1753-M1761 HydrophobicContact CG2-SD 3.73Å; E1755-M1761 HydrophobicContact CB-CB 4.49Å; E1755-M1761 HydrophobicContact CG-CB 4.39Å; M1758-M1761 HydrophobicContact CB-CE 4.12Å; M1758-M1761 HydrophobicContact CG-CE 4.4Å; M1758-M1761 PolarHBondContact O-N 3.02Å; M1758-M1761 HydrophobicContact SD-CE 3.41Å; M1758-M1761 WeakPolarHBondContact SD-CE 3.45Å
1762	N	59.3	Low	62.4	Low	13 Å²	13	57.5 Å²	57.5	7%	0.07	30%	0.303	C	S	.	.			trans	-96.9	149.3	158.3	77.4	88.4	0	0	0	110.3	E1755 C1764 Y1777	E1755-N1762 HydrophobicContact CB-CB 3.74Å; E1755-N1762 WeakPolarHBondContact O-CB 3.49Å; E1755-N1762 PolarHBondContact O-ND2 2.98Å; N1762-C1764 VanDerWaalsContact OD1-CA 3.3Å; N1762-C1764 WeakPolarHBondContact OD1-CA 3.48Å; N1762-C1764 WeakPolarHBondContact OD1-CB 3.31Å; N1762-C1764 PolarHBondContact OD1-N 3.07Å; N1762-C1764 PolarHBondContact OD1-O 2.86Å; N1762-Y1777 HydrophobicContact CB-CD1 4.31Å; N1762-Y1777 HydrophobicContact CB-CD2 3.88Å; N1762-Y1777 HydrophobicContact CB-CE1 4.26Å; N1762-Y1777 HydrophobicContact CB-CE2 3.85Å; N1762-Y1777 HydrophobicContact CB-CG 4.11Å
1763	N	68.6	Low	62.6	Low	67 Å²	67	59.9 Å²	59.9	36%	0.358	31%	0.313	S	S	.	.			trans	-103.5	26	166.2	71.2	4.8	0	0	0	112.3	P1360 Y1777 T1795	P1360-N1763 HydrophobicContact CG-CB 4.5Å; N1763-Y1777 PolarHBondContact N-OH 3.01Å; N1763-Y1777 WeakPolarHBondContact OD1-CE2 3.3Å; N1763-Y1777 PolarHBondContact OD1-OH 3.4Å; N1763-T1795 VanDerWaalsContact O-CA 3.31Å; N1763-T1795 WeakPolarHBondContact O-CA 3.29Å; N1763-T1795 WeakPolarHBondContact O-CB 3.05Å; N1763-T1795 WeakPolarHBondContact O-CG2 3.02Å; N1763-T1795 WeakPolarHBondContact OD1-CG2 3.35Å
1764	C	73.1	Confident	62.8	Low	13 Å²	13	62.8 Å²	62.8	9%	0.088	33%	0.334	C	S	.	.	S	Bend	trans	-68.7	142.9	165.1	-46.8	0	0	0	0	108.8	N1762 A1768 C1770 Y1777 C1779	N1762-C1764 VanDerWaalsContact OD1-CA 3.3Å; N1762-C1764 WeakPolarHBondContact OD1-CA 3.48Å; N1762-C1764 WeakPolarHBondContact OD1-CB 3.31Å; N1762-C1764 PolarHBondContact OD1-N 3.07Å; N1762-C1764 PolarHBondContact OD1-O 2.86Å; C1764-A1768 HydrophobicContact CB-CB 3.86Å; C1764-C1770 HydrophobicContact CB-CB 3.93Å; C1764-C1770 WeakPolarHBondContact SG-CB 3.33Å; C1764-C1770 PolarHBondContact SG-SG 2.77Å; C1764-Y1777 VanDerWaalsContact SG-CD2 3.51Å; C1764-C1779 WeakPolarHBondContact CA-SG 3.34Å; C1764-C1779 HydrophobicContact CB-CB 3.55Å; C1764-C1779 WeakPolarHBondContact CB-SG 3.16Å; C1764-C1779 VanDerWaalsContact SG-CA 3.55Å; C1764-C1779 WeakPolarHBondContact SG-CB 3.38Å; C1764-C1779 CovalentContact SG-SG 2.02Å; C1764-C1779 PolarHBondContact SG-SG 3.39Å
1765	S	63	Low	62.8	Low	31 Å²	31	68.6 Å²	68.6	22%	0.217	36%	0.364	C	S	.	.			trans	-64	155.7	171.2	-175	0	0	0	0	109.9	F1767 A1768 T1795 C1797	S1765-F1767 PolarHBondContact O-N 3.4Å; S1765-A1768 PolarHBondContact O-N 2.83Å; S1765-T1795 PolarHBondContact N-O 2.81Å; S1765-C1797 WeakPolarHBondContact CB-O 3.05Å; S1765-C1797 PolarHBondContact OG-O 2.82Å
1766	R	67.3	Low	62.7	Low	204 Å²	204	68.1 Å²	68.1	77%	0.77	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65	24.5	-179.4	59.2	154.8	-74	-173.3	-3.1	115.8
1767	F	64.9	Low	62.6	Low	40 Å²	40	69.8 Å²	69.8	18%	0.175	37%	0.37	C	S	.	.	T	Hydrogen-bonded Turn	trans	-163.6	-13.3	-144.6	-80.6	-13.1	0	0	0	109.8	S1765 Y1785 C1797 L1799	S1765-F1767 PolarHBondContact O-N 3.4Å; F1767-Y1785 HydrophobicContact CB-CD1 3.51Å; F1767-Y1785 HydrophobicContact CB-CE1 3.39Å; F1767-Y1785 HydrophobicContact CD1-CD1 4.36Å; F1767-Y1785 AromaticContact CD1-CE1 3.5Å; F1767-Y1785 HydrophobicContact CD1-CE1 3.5Å; F1767-Y1785 HydrophobicContact CE1-CE1 4.37Å; F1767-Y1785 AromaticContact CG-CD1 4Å; F1767-Y1785 HydrophobicContact CG-CD1 4Å; F1767-Y1785 AromaticContact CG-CE1 3.58Å; F1767-Y1785 HydrophobicContact CG-CE1 3.58Å; F1767-Y1785 WeakPolarHBondContact O-CD1 3.18Å; F1767-Y1785 VanDerWaalsContact O-CE1 3.23Å; F1767-Y1785 WeakPolarHBondContact O-CE1 3.08Å; F1767-Y1785 VanDerWaalsContact O-CG 3.3Å; F1767-C1797 HydrophobicContact CB-CB 4.3Å; F1767-C1797 VanDerWaalsContact CB-O 3.24Å; F1767-C1797 WeakPolarHBondContact CB-O 3.44Å; F1767-L1799 HydrophobicContact CD1-CB 4.09Å; F1767-L1799 HydrophobicContact CD1-CD2 3.73Å; F1767-L1799 HydrophobicContact CD1-CG 4.48Å; F1767-L1799 HydrophobicContact CD2-CB 3.74Å; F1767-L1799 HydrophobicContact CE1-CB 4.07Å; F1767-L1799 HydrophobicContact CE1-CD2 3.33Å; F1767-L1799 HydrophobicContact CE1-CG 4.33Å; F1767-L1799 HydrophobicContact CE2-CB 3.72Å; F1767-L1799 HydrophobicContact CE2-CD2 4.45Å; F1767-L1799 HydrophobicContact CG-CB 3.92Å; F1767-L1799 HydrophobicContact CG-CD2 4.43Å; F1767-L1799 HydrophobicContact CZ-CB 3.88Å; F1767-L1799 HydrophobicContact CZ-CD2 3.74Å; F1767-L1799 HydrophobicContact CZ-CG 4.46Å
1768	A	69.5	Low	63	Low	8 Å²	8	64.3 Å²	64.3	7%	0.066	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	149.2	159	0	0	0	0	0	109.9	C1764 S1765 C1770 C1779 S1780 G1794 C1797	C1764-A1768 HydrophobicContact CB-CB 3.86Å; S1765-A1768 PolarHBondContact O-N 2.83Å; A1768-C1770 PolarHBondContact O-N 2.79Å; A1768-C1779 HydrophobicContact CB-CB 4.21Å; A1768-S1780 CarbonylContact C-O 3.22Å; A1768-S1780 VanDerWaalsContact CA-O 3.24Å; A1768-S1780 WeakPolarHBondContact CA-O 3.32Å; A1768-S1780 WeakPolarHBondContact CB-O 3.35Å; A1768-G1794 WeakPolarHBondContact CB-O 3.43Å; A1768-C1797 HydrophobicContact CB-CB 4.09Å; A1768-C1797 VanDerWaalsContact CB-SG 3.51Å
1769	D	71.1	Confident	63.9	Low	68 Å²	68	60.9 Å²	60.9	36%	0.364	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	103.9	144.4	-76.9	-42.3	0	0	0	107.4	V1771 S1780 R1782	D1769-V1771 PolarHBondContact O-N 3.4Å; D1769-S1780 CarbonylContact C-O 3.46Å; D1769-S1780 PolarHBondContact N-O 3.37Å; D1769-S1780 PolarHBondContact O-N 3.46Å; D1769-S1780 PolarHBondContact O-OG 2.71Å; D1769-R1782 HydrophobicContact CB-CG 4.28Å; D1769-R1782 VanDerWaalsContact CG-CG 3.45Å; D1769-R1782 IonicContact OD1-CZ 2.69Å; D1769-R1782 VanDerWaalsContact OD1-CZ 3.24Å; D1769-R1782 IonicContact OD1-NE 2.71Å; D1769-R1782 PolarHBondContact OD1-NE 3.08Å; D1769-R1782 IonicContact OD1-NH2 3.48Å; D1769-R1782 PolarHBondContact OD1-NH2 3.34Å; D1769-R1782 WeakPolarHBondContact OD2-CG 3.44Å; D1769-R1782 IonicContact OD2-NE 3.49Å
1770	C	74.7	Confident	64.7	Low	26 Å²	26	57.8 Å²	57.8	18%	0.176	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66	120.2	158.2	-178.2	0	0	0	0	107.8	C1756 C1764 A1768	C1756-C1770 WeakPolarHBondContact CA-SG 3.11Å; C1756-C1770 HydrophobicContact CB-CB 3.34Å; C1756-C1770 WeakPolarHBondContact CB-O 3Å; C1756-C1770 WeakPolarHBondContact CB-SG 3.16Å; C1756-C1770 PolarHBondContact N-SG 3.13Å; C1756-C1770 VanDerWaalsContact N-SG 3.43Å; C1756-C1770 VanDerWaalsContact SG-CA 3.58Å; C1756-C1770 WeakPolarHBondContact SG-CB 3.19Å; C1756-C1770 PolarHBondContact SG-O 3.34Å; C1756-C1770 CovalentContact SG-SG 2.03Å; C1756-C1770 PolarHBondContact SG-SG 2.85Å; C1764-C1770 HydrophobicContact CB-CB 3.93Å; C1764-C1770 WeakPolarHBondContact SG-CB 3.33Å; C1764-C1770 PolarHBondContact SG-SG 2.77Å; A1768-C1770 PolarHBondContact O-N 2.79Å
1771	V	68.2	Low	65.5	Low	69 Å²	69	58.7 Å²	58.7	42%	0.418	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	108	175.4	-177.3	0	0	0	0	108	D1769 S1778	D1769-V1771 PolarHBondContact O-N 3.4Å; V1771-S1778 WeakPolarHBondContact CA-O 3.24Å; V1771-S1778 PolarHBondContact N-O 2.75Å; V1771-S1778 PolarHBondContact O-N 2.92Å; V1771-S1778 PolarHBondContact O-OG 2.9Å
1772	D	60.1	Low	65.5	Low	59 Å²	59	60.3 Å²	60.3	32%	0.316	32%	0.321	S	S	.	.			trans	-59	136.6	175.4	-178.1	28.8	0	0	0	110.8	N1754 C1756	N1754-D1772 VanDerWaalsContact ND2-CB 3.29Å; N1754-D1772 WeakPolarHBondContact ND2-CB 2.95Å; N1754-D1772 PolarHBondContact ND2-OD2 2.6Å; C1756-D1772 PolarHBondContact SG-N 3.31Å
1773	Q	59.8	Low	65.5	Low	95 Å²	95	69.3 Å²	69.3	44%	0.444	36%	0.362	S	S	.	.			trans	-127	160.2	173.1	-36	-167.5	-4.8	0	0	110.9	I1775 G1776 S1778	Q1773-I1775 PolarHBondContact O-N 3.05Å; Q1773-G1776 WeakPolarHBondContact CA-O 3.43Å; Q1773-G1776 WeakPolarHBondContact CB-O 2.85Å; Q1773-G1776 WeakPolarHBondContact CG-O 3.05Å; Q1773-G1776 PolarHBondContact N-O 3.32Å; Q1773-G1776 PolarHBondContact O-N 2.92Å; Q1773-S1778 PolarHBondContact NE2-OG 2.72Å
1774	P	52.7	Low	64.5	Low	103 Å²	103	68.5 Å²	68.5	67%	0.669	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-4.3	-174.7	-24.6	35.6	0	0	0	116.5	L1752	L1752-P1774 VanDerWaalsContact CD2-O 3.31Å; L1752-P1774 WeakPolarHBondContact CD2-O 3.17Å
1775	I	53.3	Low	63.5	Low	166 Å²	166	70.3 Å²	70.3	85%	0.851	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-147.9	74.8	171.2	-49.3	178.8	0	0	0	107.7	Q1773	Q1773-I1775 PolarHBondContact O-N 3.05Å
1776	G	63.2	Low	63.3	Low	23 Å²	23	73.2 Å²	73.2	24%	0.237	39%	0.385	C	S	.	.	S	Bend	trans	83.5	164.8	179.4	0	0	0	0	0	115	E1755 Q1773	E1755-G1776 WeakPolarHBondContact OE1-CA 2.98Å; E1755-G1776 WeakPolarHBondContact OE2-CA 3.12Å; Q1773-G1776 WeakPolarHBondContact CA-O 3.43Å; Q1773-G1776 WeakPolarHBondContact CB-O 2.85Å; Q1773-G1776 WeakPolarHBondContact CG-O 3.05Å; Q1773-G1776 PolarHBondContact N-O 3.32Å; Q1773-G1776 PolarHBondContact O-N 2.92Å
1777	Y	63.7	Low	63.1	Low	67 Å²	67	65.7 Å²	65.7	26%	0.263	36%	0.36	S	S	.	.			trans	-80.4	159.6	-174.7	62	-76.6	0	0	0	116.5	E1755 N1762 N1763 C1764	E1755-Y1777 HydrophobicContact CB-CD1 3.46Å; E1755-Y1777 VanDerWaalsContact CB-CD1 3.46Å; E1755-Y1777 HydrophobicContact CB-CE1 4Å; E1755-Y1777 HydrophobicContact CB-CG 3.99Å; E1755-Y1777 VanDerWaalsContact CD-CD1 3.41Å; E1755-Y1777 HydrophobicContact CG-CD1 3.58Å; E1755-Y1777 HydrophobicContact CG-CE1 4.01Å; E1755-Y1777 WeakPolarHBondContact OE2-CB 3.38Å; E1755-Y1777 WeakPolarHBondContact OE2-CD1 3.47Å; E1755-Y1777 PolarHBondContact OE2-N 3.21Å; N1762-Y1777 HydrophobicContact CB-CD1 4.31Å; N1762-Y1777 HydrophobicContact CB-CD2 3.88Å; N1762-Y1777 HydrophobicContact CB-CE1 4.26Å; N1762-Y1777 HydrophobicContact CB-CE2 3.85Å; N1762-Y1777 HydrophobicContact CB-CG 4.11Å; N1763-Y1777 PolarHBondContact N-OH 3.01Å; N1763-Y1777 WeakPolarHBondContact OD1-CE2 3.3Å; N1763-Y1777 PolarHBondContact OD1-OH 3.4Å; C1764-Y1777 VanDerWaalsContact SG-CD2 3.51Å
1778	S	71.4	Confident	63	Low	41 Å²	41	69 Å²	69	29%	0.287	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	129.6	159.2	59.6	0	0	0	0	110.9	V1771 Q1773	V1771-S1778 WeakPolarHBondContact CA-O 3.24Å; V1771-S1778 PolarHBondContact N-O 2.75Å; V1771-S1778 PolarHBondContact O-N 2.92Å; V1771-S1778 PolarHBondContact O-OG 2.9Å; Q1773-S1778 PolarHBondContact NE2-OG 2.72Å
1779	C	73.7	Confident	62.6	Low	13 Å²	13	71 Å²	71	9%	0.088	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	145.3	176.1	-39.6	0	0	0	0	111.2	C1764 A1768 A1793 G1794	C1764-C1779 WeakPolarHBondContact CA-SG 3.34Å; C1764-C1779 HydrophobicContact CB-CB 3.55Å; C1764-C1779 WeakPolarHBondContact CB-SG 3.16Å; C1764-C1779 VanDerWaalsContact SG-CA 3.55Å; C1764-C1779 WeakPolarHBondContact SG-CB 3.38Å; C1764-C1779 CovalentContact SG-SG 2.02Å; C1764-C1779 PolarHBondContact SG-SG 3.39Å; A1768-C1779 HydrophobicContact CB-CB 4.21Å; C1779-A1793 VanDerWaalsContact CB-O 3.29Å; C1779-A1793 WeakPolarHBondContact CB-O 3.31Å; C1779-A1793 CarbonylContact O-C 3.56Å; C1779-A1793 VanDerWaalsContact O-O 3.06Å; C1779-G1794 WeakPolarHBondContact CB-O 3.45Å
1780	S	69.8	Low	62	Low	52 Å²	52	73.6 Å²	73.6	36%	0.364	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	135.4	170.6	42.5	0	0	0	0	109.1	A1768 D1769 R1782	A1768-S1780 CarbonylContact C-O 3.22Å; A1768-S1780 VanDerWaalsContact CA-O 3.24Å; A1768-S1780 WeakPolarHBondContact CA-O 3.32Å; A1768-S1780 WeakPolarHBondContact CB-O 3.35Å; D1769-S1780 CarbonylContact C-O 3.46Å; D1769-S1780 PolarHBondContact N-O 3.37Å; D1769-S1780 PolarHBondContact O-N 3.46Å; D1769-S1780 PolarHBondContact O-OG 2.71Å; S1780-R1782 PolarHBondContact O-N 3.07Å
1781	C	70.9	Confident	61.3	Low	37 Å²	37	79.9 Å²	79.9	25%	0.25	44%	0.439	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	135.7	179	-56.1	0	0	0	0	110.9	Y1785 H1786 D1787 C1797	C1781-Y1785 VanDerWaalsContact CB-O 3.3Å; C1781-Y1785 WeakPolarHBondContact CB-O 3.43Å; C1781-H1786 VanDerWaalsContact SG-C 3.52Å; C1781-D1787 VanDerWaalsContact SG-CA 3.54Å; C1781-D1787 VanDerWaalsContact SG-CB 3.55Å; C1781-D1787 PolarHBondContact SG-N 3.28Å; C1781-D1787 VanDerWaalsContact SG-N 3.38Å; C1781-C1797 WeakPolarHBondContact CA-SG 3.39Å; C1781-C1797 HydrophobicContact CB-CB 3.86Å; C1781-C1797 WeakPolarHBondContact CB-SG 3.38Å; C1781-C1797 PolarHBondContact N-SG 3.29Å; C1781-C1797 VanDerWaalsContact N-SG 3.37Å; C1781-C1797 VanDerWaalsContact SG-CA 3.51Å; C1781-C1797 WeakPolarHBondContact SG-CB 3.38Å; C1781-C1797 CovalentContact SG-SG 2.03Å; C1781-C1797 PolarHBondContact SG-SG 2.03Å
1782	R	58.1	Low	61.1	Low	72 Å²	72	81 Å²	81	27%	0.272	44%	0.443	S	S	.	.	P	Polyproline II helix	trans	-58.2	158.3	172.1	-87.3	165.3	-178.3	-171.9	-1	109.8	D1769 S1780 G1784 Y1785	D1769-R1782 HydrophobicContact CB-CG 4.28Å; D1769-R1782 VanDerWaalsContact CG-CG 3.45Å; D1769-R1782 IonicContact OD1-CZ 2.69Å; D1769-R1782 VanDerWaalsContact OD1-CZ 3.24Å; D1769-R1782 IonicContact OD1-NE 2.71Å; D1769-R1782 PolarHBondContact OD1-NE 3.08Å; D1769-R1782 IonicContact OD1-NH2 3.48Å; D1769-R1782 PolarHBondContact OD1-NH2 3.34Å; D1769-R1782 WeakPolarHBondContact OD2-CG 3.44Å; D1769-R1782 IonicContact OD2-NE 3.49Å; S1780-R1782 PolarHBondContact O-N 3.07Å; R1782-G1784 PolarHBondContact O-N 3.44Å; R1782-Y1785 HydrophobicContact CB-CD2 3.16Å; R1782-Y1785 HydrophobicContact CB-CE2 3.23Å; R1782-Y1785 HydrophobicContact CB-CG 3.86Å; R1782-Y1785 HydrophobicContact CG-CD2 4.47Å; R1782-Y1785 HydrophobicContact CG-CE2 4.22Å; R1782-Y1785 VanDerWaalsContact O-CB 3.26Å; R1782-Y1785 WeakPolarHBondContact O-CB 3.5Å; R1782-Y1785 WeakPolarHBondContact O-CD2 3.33Å; R1782-Y1785 PolarHBondContact O-N 3.36Å
1783	E	58.5	Low	61.2	Low	201 Å²	201	81.1 Å²	81.1	94%	0.939	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	136.3	172.4	-72.4	-162.2	132.8	0	0	110.3	Y1785	E1783-Y1785 WeakPolarHBondContact O-CD2 3.37Å
1784	G	47.3	Very low	61.5	Low	50 Å²	50	76.6 Å²	76.6	52%	0.515	43%	0.43	S	S	.	.	T	Hydrogen-bonded Turn	trans	98.5	-35.8	-162.6	0	0	0	0	0	113.2	R1782 I1800	R1782-G1784 PolarHBondContact O-N 3.44Å; G1784-I1800 CarbonylContact C-O 3.13Å; G1784-I1800 WeakPolarHBondContact O-CD1 3.47Å; G1784-I1800 WeakPolarHBondContact O-CG1 3.15Å
1785	Y	51.8	Low	62.3	Low	52 Å²	52	72.8 Å²	72.8	20%	0.204	41%	0.405	C	S	.	.			trans	-94.3	148.7	-166.2	-58.6	-116.7	0	0	0	113	F1767 C1781 R1782 E1783 L1799	F1767-Y1785 HydrophobicContact CB-CD1 3.51Å; F1767-Y1785 HydrophobicContact CB-CE1 3.39Å; F1767-Y1785 HydrophobicContact CD1-CD1 4.36Å; F1767-Y1785 AromaticContact CD1-CE1 3.5Å; F1767-Y1785 HydrophobicContact CD1-CE1 3.5Å; F1767-Y1785 HydrophobicContact CE1-CE1 4.37Å; F1767-Y1785 AromaticContact CG-CD1 4Å; F1767-Y1785 HydrophobicContact CG-CD1 4Å; F1767-Y1785 AromaticContact CG-CE1 3.58Å; F1767-Y1785 HydrophobicContact CG-CE1 3.58Å; F1767-Y1785 WeakPolarHBondContact O-CD1 3.18Å; F1767-Y1785 VanDerWaalsContact O-CE1 3.23Å; F1767-Y1785 WeakPolarHBondContact O-CE1 3.08Å; F1767-Y1785 VanDerWaalsContact O-CG 3.3Å; C1781-Y1785 VanDerWaalsContact CB-O 3.3Å; C1781-Y1785 WeakPolarHBondContact CB-O 3.43Å; R1782-Y1785 HydrophobicContact CB-CD2 3.16Å; R1782-Y1785 HydrophobicContact CB-CE2 3.23Å; R1782-Y1785 HydrophobicContact CB-CG 3.86Å; R1782-Y1785 HydrophobicContact CG-CD2 4.47Å; R1782-Y1785 HydrophobicContact CG-CE2 4.22Å; R1782-Y1785 VanDerWaalsContact O-CB 3.26Å; R1782-Y1785 WeakPolarHBondContact O-CB 3.5Å; R1782-Y1785 WeakPolarHBondContact O-CD2 3.33Å; R1782-Y1785 PolarHBondContact O-N 3.36Å; E1783-Y1785 WeakPolarHBondContact O-CD2 3.37Å; Y1785-L1799 VanDerWaalsContact CD1-CA 3.49Å; Y1785-L1799 HydrophobicContact CD1-CB 3.42Å; Y1785-L1799 VanDerWaalsContact CD1-CB 3.42Å; Y1785-L1799 HydrophobicContact CD1-CD1 3.32Å; Y1785-L1799 HydrophobicContact CD1-CD2 4.29Å; Y1785-L1799 HydrophobicContact CD1-CG 3.7Å; Y1785-L1799 HydrophobicContact CD2-CD1 3.55Å; Y1785-L1799 HydrophobicContact CE1-CB 3.46Å; Y1785-L1799 VanDerWaalsContact CE1-CB 3.46Å; Y1785-L1799 HydrophobicContact CE1-CD1 3.11Å; Y1785-L1799 HydrophobicContact CE1-CD2 3.46Å; Y1785-L1799 VanDerWaalsContact CE1-CD2 3.46Å; Y1785-L1799 HydrophobicContact CE1-CG 3.36Å; Y1785-L1799 HydrophobicContact CE2-CD1 3.35Å; Y1785-L1799 HydrophobicContact CE2-CG 4.46Å; Y1785-L1799 HydrophobicContact CG-CB 4.36Å; Y1785-L1799 HydrophobicContact CG-CD1 3.59Å; Y1785-L1799 HydrophobicContact CG-CG 4.42Å
1786	H	59.1	Low	62.8	Low	92 Å²	92	66.5 Å²	66.5	43%	0.426	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	144.9	178.6	-128.7	-75.7	0	0	0	115.2	C1781 C1797 I1798 I1800 V1822	C1781-H1786 VanDerWaalsContact SG-C 3.52Å; H1786-C1797 WeakPolarHBondContact O-CA 3.47Å; H1786-I1798 PolarHBondContact N-O 3.14Å; H1786-I1798 PolarHBondContact O-N 3.46Å; H1786-I1800 HydrophobicContact CB-CD1 3.57Å; H1786-I1800 HydrophobicContact CB-CG1 3.74Å; H1786-I1800 VanDerWaalsContact N-CG1 3.34Å; H1786-V1822 HydrophobicContact CB-CB 4.42Å; H1786-V1822 HydrophobicContact CB-CG1 3.93Å; H1786-V1822 HydrophobicContact CB-CG2 4.32Å
1787	D	64.2	Low	62.8	Low	45 Å²	45	65.4 Å²	65.4	24%	0.241	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	116.7	-176.5	-169.1	5.8	0	0	0	113	C1781 N1789 A1793 G1794	C1781-D1787 VanDerWaalsContact SG-CA 3.54Å; C1781-D1787 VanDerWaalsContact SG-CB 3.55Å; C1781-D1787 PolarHBondContact SG-N 3.28Å; C1781-D1787 VanDerWaalsContact SG-N 3.38Å; D1787-N1789 PolarHBondContact OD1-N 2.76Å; D1787-A1793 WeakPolarHBondContact OD2-CA 3.27Å; D1787-A1793 WeakPolarHBondContact OD2-CB 3.43Å; D1787-G1794 PolarHBondContact OD1-N 2.64Å; D1787-G1794 PolarHBondContact OD2-N 3.04Å
1788	M	62.1	Low	62.3	Low	109 Å²	109	64.6 Å²	64.6	54%	0.537	37%	0.366	S	S	.	.	S	Bend	trans	-91	-4.9	174.4	-70.4	-83.6	-92.5	0	0	113.6	P1790 A1796 I1798 V1822	M1788-P1790 VanDerWaalsContact O-CD 3.32Å; M1788-P1790 WeakPolarHBondContact O-CD 3.29Å; M1788-A1796 HydrophobicContact CB-CB 3.9Å; M1788-A1796 WeakPolarHBondContact CB-O 3.44Å; M1788-A1796 PolarHBondContact N-O 2.78Å; M1788-I1798 HydrophobicContact CE-CD1 3.93Å; M1788-I1798 HydrophobicContact CG-CD1 3.54Å; M1788-I1798 HydrophobicContact CG-CG1 3.75Å; M1788-I1798 HydrophobicContact SD-CD1 4.12Å; M1788-V1822 HydrophobicContact SD-CG1 4.45Å
1789	N	61.9	Low	61.3	Low	52 Å²	52	64.1 Å²	64.1	28%	0.278	36%	0.36	S	S	.	.			trans	-118.8	80.4	-178.8	-170.5	1.5	0	0	0	113.2	D1787 L1791 N1792 T1795 A1796	D1787-N1789 PolarHBondContact OD1-N 2.76Å; N1789-L1791 PolarHBondContact O-N 2.91Å; N1789-L1791 PolarHBondContact OD1-N 2.85Å; N1789-N1792 CarbonylContact O-C 3.32Å; N1789-N1792 VanDerWaalsContact O-C 3.24Å; N1789-N1792 PolarHBondContact O-N 3.16Å; N1789-N1792 VanDerWaalsContact O-O 3.11Å; N1789-T1795 WeakPolarHBondContact CB-OG1 3.24Å; N1789-T1795 PolarHBondContact ND2-OG1 3.35Å; N1789-A1796 HydrophobicContact CB-CB 3.82Å
1790	P	57.1	Low	60.1	Low	122 Å²	122	64 Å²	64	79%	0.792	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70	11.4	-176.6	30.8	-38	0	0	0	115.5	M1788	M1788-P1790 VanDerWaalsContact O-CD 3.32Å; M1788-P1790 WeakPolarHBondContact O-CD 3.29Å
1791	L	61.7	Low	58.8	Low	157 Å²	157	63.8 Å²	63.8	82%	0.822	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.6	-42.7	173	-89.9	159.6	0	0	0	112.5	N1789	N1789-L1791 PolarHBondContact O-N 2.91Å; N1789-L1791 PolarHBondContact OD1-N 2.85Å
1792	N	63.8	Low	57.9	Low	94 Å²	94	64.2 Å²	64.2	50%	0.503	35%	0.353	S	S	.	.	S	Bend	trans	-117.9	88.4	168.4	-70.9	-5.4	0	0	0	107.1	N1789 G1794 T1795	N1789-N1792 CarbonylContact O-C 3.32Å; N1789-N1792 VanDerWaalsContact O-C 3.24Å; N1789-N1792 PolarHBondContact O-N 3.16Å; N1789-N1792 VanDerWaalsContact O-O 3.11Å; N1792-G1794 PolarHBondContact O-N 2.59Å; N1792-T1795 HydrophobicContact CB-CG2 3.67Å; N1792-T1795 WeakPolarHBondContact O-CB 3.48Å; N1792-T1795 WeakPolarHBondContact O-CG2 3.29Å; N1792-T1795 PolarHBondContact O-N 2.79Å; N1792-T1795 PolarHBondContact O-OG1 3.4Å
1793	A	61.5	Low	58.1	Low	60 Å²	60	61.8 Å²	61.8	50%	0.496	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.4	140.3	-171.6	0	0	0	0	0	111.4	C1779 D1787 T1795	C1779-A1793 VanDerWaalsContact CB-O 3.29Å; C1779-A1793 WeakPolarHBondContact CB-O 3.31Å; C1779-A1793 CarbonylContact O-C 3.56Å; C1779-A1793 VanDerWaalsContact O-O 3.06Å; D1787-A1793 WeakPolarHBondContact OD2-CA 3.27Å; D1787-A1793 WeakPolarHBondContact OD2-CB 3.43Å; A1793-T1795 VanDerWaalsContact C-N 3.26Å; A1793-T1795 PolarHBondContact O-N 2.95Å
1794	G	65.6	Low	58.4	Low	0 Å²	0	54 Å²	54	0%	0	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	73.9	-2.8	-179.7	0	0	0	0	0	116.9	A1768 C1779 D1787 N1792 A1796 C1797	A1768-G1794 WeakPolarHBondContact CB-O 3.43Å; C1779-G1794 WeakPolarHBondContact CB-O 3.45Å; D1787-G1794 PolarHBondContact OD1-N 2.64Å; D1787-G1794 PolarHBondContact OD2-N 3.04Å; N1792-G1794 PolarHBondContact O-N 2.59Å; G1794-A1796 VanDerWaalsContact C-N 3.29Å; G1794-A1796 PolarHBondContact O-N 2.67Å; G1794-C1797 WeakPolarHBondContact CA-SG 3.44Å; G1794-C1797 PolarHBondContact O-N 3.48Å; G1794-C1797 PolarHBondContact O-SG 3.49Å
1795	T	70.4	Confident	59.2	Low	24 Å²	24	59.2 Å²	59.2	15%	0.147	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.5	-24.2	178.8	58.4	0	0	0	0	113.3	N1763 S1765 N1789 N1792 A1793	N1763-T1795 VanDerWaalsContact O-CA 3.31Å; N1763-T1795 WeakPolarHBondContact O-CA 3.29Å; N1763-T1795 WeakPolarHBondContact O-CB 3.05Å; N1763-T1795 WeakPolarHBondContact O-CG2 3.02Å; N1763-T1795 WeakPolarHBondContact OD1-CG2 3.35Å; S1765-T1795 PolarHBondContact N-O 2.81Å; N1789-T1795 WeakPolarHBondContact CB-OG1 3.24Å; N1789-T1795 PolarHBondContact ND2-OG1 3.35Å; N1792-T1795 HydrophobicContact CB-CG2 3.67Å; N1792-T1795 WeakPolarHBondContact O-CB 3.48Å; N1792-T1795 WeakPolarHBondContact O-CG2 3.29Å; N1792-T1795 PolarHBondContact O-N 2.79Å; N1792-T1795 PolarHBondContact O-OG1 3.4Å; A1793-T1795 VanDerWaalsContact C-N 3.26Å; A1793-T1795 PolarHBondContact O-N 2.95Å
1796	A	64.2	Low	59.2	Low	33 Å²	33	59.4 Å²	59.4	27%	0.273	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-121.1	50.6	171.1	0	0	0	0	0	110.7	M1788 N1789 G1794 I1798	M1788-A1796 HydrophobicContact CB-CB 3.9Å; M1788-A1796 WeakPolarHBondContact CB-O 3.44Å; M1788-A1796 PolarHBondContact N-O 2.78Å; N1789-A1796 HydrophobicContact CB-CB 3.82Å; G1794-A1796 VanDerWaalsContact C-N 3.29Å; G1794-A1796 PolarHBondContact O-N 2.67Å; A1796-I1798 VanDerWaalsContact C-N 3.34Å; A1796-I1798 PolarHBondContact O-N 3.04Å
1797	C	62	Low	59.1	Low	0 Å²	0	59.3 Å²	59.3	0%	0	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	98.3	162.1	-59.3	0	0	0	0	108.8	S1765 F1767 A1768 C1781 H1786 G1794	S1765-C1797 WeakPolarHBondContact CB-O 3.05Å; S1765-C1797 PolarHBondContact OG-O 2.82Å; F1767-C1797 HydrophobicContact CB-CB 4.3Å; F1767-C1797 VanDerWaalsContact CB-O 3.24Å; F1767-C1797 WeakPolarHBondContact CB-O 3.44Å; A1768-C1797 HydrophobicContact CB-CB 4.09Å; A1768-C1797 VanDerWaalsContact CB-SG 3.51Å; C1781-C1797 WeakPolarHBondContact CA-SG 3.39Å; C1781-C1797 HydrophobicContact CB-CB 3.86Å; C1781-C1797 WeakPolarHBondContact CB-SG 3.38Å; C1781-C1797 PolarHBondContact N-SG 3.29Å; C1781-C1797 VanDerWaalsContact N-SG 3.37Å; C1781-C1797 VanDerWaalsContact SG-CA 3.51Å; C1781-C1797 WeakPolarHBondContact SG-CB 3.38Å; C1781-C1797 CovalentContact SG-SG 2.03Å; C1781-C1797 PolarHBondContact SG-SG 2.03Å; H1786-C1797 WeakPolarHBondContact O-CA 3.47Å; G1794-C1797 WeakPolarHBondContact CA-SG 3.44Å; G1794-C1797 PolarHBondContact O-N 3.48Å; G1794-C1797 PolarHBondContact O-SG 3.49Å
1798	I	52.9	Low	58.9	Low	51 Å²	51	64.9 Å²	64.9	26%	0.262	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	130.4	154.1	48.7	-176.3	0	0	0	106.6	H1786 M1788 A1796 I1800 V1822	H1786-I1798 PolarHBondContact N-O 3.14Å; H1786-I1798 PolarHBondContact O-N 3.46Å; M1788-I1798 HydrophobicContact CE-CD1 3.93Å; M1788-I1798 HydrophobicContact CG-CD1 3.54Å; M1788-I1798 HydrophobicContact CG-CG1 3.75Å; M1788-I1798 HydrophobicContact SD-CD1 4.12Å; A1796-I1798 VanDerWaalsContact C-N 3.34Å; A1796-I1798 PolarHBondContact O-N 3.04Å; I1798-I1800 VanDerWaalsContact C-N 3.26Å; I1798-I1800 PolarHBondContact O-N 3.24Å; I1798-I1800 VanDerWaalsContact O-N 3.17Å; I1798-V1822 WeakPolarHBondContact CD1-O 3.4Å; I1798-V1822 WeakPolarHBondContact CG1-O 3.34Å
1799	L	50.4	Low	58.8	Low	31 Å²	31	63.9 Å²	63.9	16%	0.162	35%	0.351	C	S	.	.			trans	-57.4	106.5	141.7	-152.4	38.6	0	0	0	100.2	F1767 Y1785 L1801	F1767-L1799 HydrophobicContact CD1-CB 4.09Å; F1767-L1799 HydrophobicContact CD1-CD2 3.73Å; F1767-L1799 HydrophobicContact CD1-CG 4.48Å; F1767-L1799 HydrophobicContact CD2-CB 3.74Å; F1767-L1799 HydrophobicContact CE1-CB 4.07Å; F1767-L1799 HydrophobicContact CE1-CD2 3.33Å; F1767-L1799 HydrophobicContact CE1-CG 4.33Å; F1767-L1799 HydrophobicContact CE2-CB 3.72Å; F1767-L1799 HydrophobicContact CE2-CD2 4.45Å; F1767-L1799 HydrophobicContact CG-CB 3.92Å; F1767-L1799 HydrophobicContact CG-CD2 4.43Å; F1767-L1799 HydrophobicContact CZ-CB 3.88Å; F1767-L1799 HydrophobicContact CZ-CD2 3.74Å; F1767-L1799 HydrophobicContact CZ-CG 4.46Å; Y1785-L1799 VanDerWaalsContact CD1-CA 3.49Å; Y1785-L1799 HydrophobicContact CD1-CB 3.42Å; Y1785-L1799 VanDerWaalsContact CD1-CB 3.42Å; Y1785-L1799 HydrophobicContact CD1-CD1 3.32Å; Y1785-L1799 HydrophobicContact CD1-CD2 4.29Å; Y1785-L1799 HydrophobicContact CD1-CG 3.7Å; Y1785-L1799 HydrophobicContact CD2-CD1 3.55Å; Y1785-L1799 HydrophobicContact CE1-CB 3.46Å; Y1785-L1799 VanDerWaalsContact CE1-CB 3.46Å; Y1785-L1799 HydrophobicContact CE1-CD1 3.11Å; Y1785-L1799 HydrophobicContact CE1-CD2 3.46Å; Y1785-L1799 VanDerWaalsContact CE1-CD2 3.46Å; Y1785-L1799 HydrophobicContact CE1-CG 3.36Å; Y1785-L1799 HydrophobicContact CE2-CD1 3.35Å; Y1785-L1799 HydrophobicContact CE2-CG 4.46Å; Y1785-L1799 HydrophobicContact CG-CB 4.36Å; Y1785-L1799 HydrophobicContact CG-CD1 3.59Å; Y1785-L1799 HydrophobicContact CG-CG 4.42Å; L1799-L1801 HydrophobicContact CB-CG 4.27Å; L1799-L1801 VanDerWaalsContact CB-N 3.3Å; L1799-L1801 HydrophobicContact CD1-CD2 4.23Å; L1799-L1801 HydrophobicContact CD1-CG 4.41Å; L1799-L1801 HydrophobicContact CD2-CD2 3.43Å; L1799-L1801 VanDerWaalsContact CD2-CD2 3.43Å; L1799-L1801 HydrophobicContact CD2-CG 3.64Å; L1799-L1801 VanDerWaalsContact CG-CA 3.48Å; L1799-L1801 HydrophobicContact CG-CB 3.92Å; L1799-L1801 HydrophobicContact CG-CD2 3.66Å; L1799-L1801 HydrophobicContact CG-CG 3.51Å; L1799-L1801 PolarHBondContact O-N 3.23Å
1800	I	48.7	Very low	58.9	Low	9 Å²	9	62.6 Å²	62.6	5%	0.046	34%	0.344	C	S	.	.				-16.6	68.1	69.5	47.3	164.4	0	0	0	113.1	G1784 H1786 I1798 N1802 D1820 L1821	G1784-I1800 CarbonylContact C-O 3.13Å; G1784-I1800 WeakPolarHBondContact O-CD1 3.47Å; G1784-I1800 WeakPolarHBondContact O-CG1 3.15Å; H1786-I1800 HydrophobicContact CB-CD1 3.57Å; H1786-I1800 HydrophobicContact CB-CG1 3.74Å; H1786-I1800 VanDerWaalsContact N-CG1 3.34Å; I1798-I1800 VanDerWaalsContact C-N 3.26Å; I1798-I1800 PolarHBondContact O-N 3.24Å; I1798-I1800 VanDerWaalsContact O-N 3.17Å; I1800-N1802 VanDerWaalsContact C-N 3.33Å; I1800-N1802 PolarHBondContact O-N 2.81Å; I1800-D1820 WeakPolarHBondContact CB-OD1 3.41Å; I1800-D1820 WeakPolarHBondContact CG2-OD1 3.17Å; I1800-L1821 WeakPolarHBondContact CG2-O 3.2Å
1801	L	43	Very low	59.4	Low	48 Å²	48	60.6 Å²	60.6	25%	0.251	33%	0.326	S	S	.	.			trans	-52.4	121.3	131.5	-82.3	176.3	0	0	0	99.9	L1799 E1803 L1809	L1799-L1801 HydrophobicContact CB-CG 4.27Å; L1799-L1801 VanDerWaalsContact CB-N 3.3Å; L1799-L1801 HydrophobicContact CD1-CD2 4.23Å; L1799-L1801 HydrophobicContact CD1-CG 4.41Å; L1799-L1801 HydrophobicContact CD2-CD2 3.43Å; L1799-L1801 VanDerWaalsContact CD2-CD2 3.43Å; L1799-L1801 HydrophobicContact CD2-CG 3.64Å; L1799-L1801 VanDerWaalsContact CG-CA 3.48Å; L1799-L1801 HydrophobicContact CG-CB 3.92Å; L1799-L1801 HydrophobicContact CG-CD2 3.66Å; L1799-L1801 HydrophobicContact CG-CG 3.51Å; L1799-L1801 PolarHBondContact O-N 3.23Å; L1801-E1803 HydrophobicContact CB-CB 4.16Å; L1801-E1803 VanDerWaalsContact CB-CD 3.45Å; L1801-E1803 HydrophobicContact CB-CG 3.5Å; L1801-E1803 VanDerWaalsContact CB-CG 3.5Å; L1801-E1803 HydrophobicContact CD1-CG 3.72Å; L1801-E1803 HydrophobicContact CG-CG 4.24Å; L1801-E1803 VanDerWaalsContact O-CD 3.22Å; L1801-E1803 PolarHBondContact O-N 2.85Å; L1801-L1809 HydrophobicContact CD1-CB 3.8Å; L1801-L1809 HydrophobicContact CD1-CD1 3.66Å; L1801-L1809 HydrophobicContact CD1-CD2 4.5Å; L1801-L1809 HydrophobicContact CD1-CG 4.18Å; L1801-L1809 HydrophobicContact CD2-CD1 3.76Å; L1801-L1809 HydrophobicContact CG-CD1 4.38Å
1802	N	51.6	Low	60	Low	47 Å²	47	53.4 Å²	53.4	25%	0.251	29%	0.289	S	S	.	.			trans	-59	84.8	144.1	-167.9	2.9	0	0	0	102.6	I1800 C1804 E1805 D1820	I1800-N1802 VanDerWaalsContact C-N 3.33Å; I1800-N1802 PolarHBondContact O-N 2.81Å; N1802-C1804 PolarHBondContact O-N 3.01Å; N1802-C1804 WeakPolarHBondContact OD1-CB 3.48Å; N1802-C1804 PolarHBondContact OD1-SG 2.99Å; N1802-E1805 HydrophobicContact CB-CB 4.28Å; N1802-E1805 HydrophobicContact CB-CG 3.97Å; N1802-E1805 WeakPolarHBondContact ND2-CG 3.1Å; N1802-E1805 PolarHBondContact ND2-OE1 3.49Å; N1802-E1805 WeakPolarHBondContact O-CB 3.22Å; N1802-E1805 PolarHBondContact O-N 3.12Å; N1802-D1820 WeakPolarHBondContact CA-OD1 3.35Å; N1802-D1820 HydrophobicContact CB-CB 4.25Å; N1802-D1820 PolarHBondContact N-OD1 3.06Å
1803	E	62.6	Low	60.2	Low	21 Å²	21	49.5 Å²	49.5	10%	0.098	27%	0.268	C	S	.	.	G	3₁₀ helix	trans	-58.2	-31.2	-169.4	-83.6	91.2	-177.4	0	0	108.2	L1801 E1805 S1806 L1809 H1810 Y1825	L1801-E1803 HydrophobicContact CB-CB 4.16Å; L1801-E1803 VanDerWaalsContact CB-CD 3.45Å; L1801-E1803 HydrophobicContact CB-CG 3.5Å; L1801-E1803 VanDerWaalsContact CB-CG 3.5Å; L1801-E1803 HydrophobicContact CD1-CG 3.72Å; L1801-E1803 HydrophobicContact CG-CG 4.24Å; L1801-E1803 VanDerWaalsContact O-CD 3.22Å; L1801-E1803 PolarHBondContact O-N 2.85Å; E1803-E1805 PolarHBondContact O-N 3.07Å; E1803-S1806 CarbonylContact O-C 3.42Å; E1803-S1806 PolarHBondContact O-N 3Å; E1803-L1809 HydrophobicContact CG-CB 4.45Å; E1803-H1810 HydrophobicContact CB-CB 3.77Å; E1803-H1810 PolarHBondContact O-CD2 2.91Å; E1803-Y1825 HydrophobicContact CB-CD1 3.81Å; E1803-Y1825 HydrophobicContact CB-CE1 4.34Å; E1803-Y1825 HydrophobicContact CB-CG 4.11Å; E1803-Y1825 HydrophobicContact CG-CD1 3.49Å; E1803-Y1825 VanDerWaalsContact CG-CD1 3.49Å; E1803-Y1825 HydrophobicContact CG-CE1 3.91Å; E1803-Y1825 HydrophobicContact CG-CG 4.27Å; E1803-Y1825 WeakPolarHBondContact OE2-CA 3.29Å; E1803-Y1825 WeakPolarHBondContact OE2-CB 2.93Å; E1803-Y1825 WeakPolarHBondContact OE2-CD1 2.96Å; E1803-Y1825 PolarHBondContact OE2-N 3.06Å
1804	C	65.2	Low	60.5	Low	38 Å²	38	54.7 Å²	54.7	26%	0.257	28%	0.275	S	S	.	.	G	3₁₀ helix	trans	-47.6	-23.6	164.5	-24.5	0	0	0	0	117	N1802 S1806 C1818	N1802-C1804 PolarHBondContact O-N 3.01Å; N1802-C1804 WeakPolarHBondContact OD1-CB 3.48Å; N1802-C1804 PolarHBondContact OD1-SG 2.99Å; C1804-S1806 VanDerWaalsContact C-N 3.32Å; C1804-C1818 WeakPolarHBondContact CA-SG 3.22Å; C1804-C1818 HydrophobicContact CB-CB 3.43Å; C1804-C1818 VanDerWaalsContact CB-CB 3.43Å; C1804-C1818 WeakPolarHBondContact CB-SG 3.28Å; C1804-C1818 PolarHBondContact N-SG 2.81Å; C1804-C1818 WeakPolarHBondContact SG-CB 3.38Å; C1804-C1818 PolarHBondContact SG-O 3.47Å; C1804-C1818 CovalentContact SG-SG 2.03Å; C1804-C1818 PolarHBondContact SG-SG 3.41Å
1805	E	62.6	Low	60.3	Low	159 Å²	159	56 Å²	56	74%	0.743	28%	0.28	S	S	*	.	G	3₁₀ helix	trans	-80.7	-10.6	172.9	-83.9	170	-155.7	0	0	112.7	N1802 E1803	N1802-E1805 HydrophobicContact CB-CB 4.28Å; N1802-E1805 HydrophobicContact CB-CG 3.97Å; N1802-E1805 WeakPolarHBondContact ND2-CG 3.1Å; N1802-E1805 PolarHBondContact ND2-OE1 3.49Å; N1802-E1805 WeakPolarHBondContact O-CB 3.22Å; N1802-E1805 PolarHBondContact O-N 3.12Å; E1803-E1805 PolarHBondContact O-N 3.07Å
1806	S	52.1	Low	60.2	Low	56 Å²	56	55.5 Å²	55.5	39%	0.392	28%	0.278	S	S	.	.	S	Bend	trans	-143	111.5	171.9	-175.2	0	0	0	0	112	E1803 C1804 H1808 L1809	E1803-S1806 CarbonylContact O-C 3.42Å; E1803-S1806 PolarHBondContact O-N 3Å; C1804-S1806 VanDerWaalsContact C-N 3.32Å; S1806-H1808 PolarHBondContact O-N 2.78Å; S1806-L1809 PolarHBondContact O-N 3.15Å
1807	F	57.8	Low	60.6	Low	90 Å²	90	57.5 Å²	57.5	40%	0.395	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-4	-175.5	179.8	-106.2	0	0	0	115.4	H1810 R1814	F1807-H1810 AromaticContact CD2-CE1 3.59Å; F1807-H1810 AromaticContact CD2-NE2 3.75Å; F1807-H1810 AromaticContact CE2-CE1 3.97Å; F1807-R1814 HydrophobicContact CD2-CG 3.82Å; F1807-R1814 HydrophobicContact CE2-CG 3.24Å; F1807-R1814 HydrophobicContact CZ-CG 3.78Å
1808	H	60.5	Low	61.2	Low	161 Å²	161	58.1 Å²	58.1	75%	0.745	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.8	6.7	175	-64.2	-10.8	0	0	0	113.6	S1806	S1806-H1808 PolarHBondContact O-N 2.78Å
1809	L	58.2	Low	62	Low	88 Å²	88	58.1 Å²	58.1	46%	0.461	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-119.2	-20.5	-178.7	-57.7	176.3	0	0	0	114.2	L1801 E1803 S1806	L1801-L1809 HydrophobicContact CD1-CB 3.8Å; L1801-L1809 HydrophobicContact CD1-CD1 3.66Å; L1801-L1809 HydrophobicContact CD1-CD2 4.5Å; L1801-L1809 HydrophobicContact CD1-CG 4.18Å; L1801-L1809 HydrophobicContact CD2-CD1 3.76Å; L1801-L1809 HydrophobicContact CG-CD1 4.38Å; E1803-L1809 HydrophobicContact CG-CB 4.45Å; S1806-L1809 PolarHBondContact O-N 3.15Å
1810	H	65.7	Low	62.5	Low	26 Å²	26	59.1 Å²	59.1	12%	0.12	30%	0.299	C	S	.	.			trans	-96.6	154.4	163.5	67.1	84.4	0	0	0	111.8	E1803 F1807 C1812 Y1825	E1803-H1810 HydrophobicContact CB-CB 3.77Å; E1803-H1810 PolarHBondContact O-CD2 2.91Å; F1807-H1810 AromaticContact CD2-CE1 3.59Å; F1807-H1810 AromaticContact CD2-NE2 3.75Å; F1807-H1810 AromaticContact CE2-CE1 3.97Å; H1810-C1812 HydrophobicContact CB-CB 4.3Å; H1810-C1812 PolarHBondContact CE1-O 2.75Å; H1810-C1812 WeakPolarHBondContact ND1-CB 3.21Å; H1810-C1812 PolarHBondContact ND1-N 3.38Å; H1810-C1812 PolarHBondContact ND1-O 2.93Å; H1810-Y1825 HydrophobicContact CB-CD2 4.2Å; H1810-Y1825 HydrophobicContact CB-CE2 4.07Å
1811	D	67.5	Low	63.2	Low	80 Å²	80	62.7 Å²	62.7	43%	0.428	32%	0.318	S	S	.	.			trans	-105.8	17.9	160	79.2	-14.3	0	0	0	112.5	Y1825 R1845	D1811-Y1825 PolarHBondContact N-OH 3.19Å; D1811-Y1825 VanDerWaalsContact N-OH 3.09Å; D1811-Y1825 VanDerWaalsContact OD1-CE2 3.27Å; D1811-Y1825 WeakPolarHBondContact OD1-CE2 3.3Å; D1811-Y1825 PolarHBondContact OD1-OH 3.05Å; D1811-R1845 VanDerWaalsContact OD1-CD 3.25Å; D1811-R1845 WeakPolarHBondContact OD1-CD 3.21Å; D1811-R1845 IonicContact OD1-CZ 3.33Å; D1811-R1845 IonicContact OD1-NE 3.24Å; D1811-R1845 PolarHBondContact OD1-NE 2.65Å; D1811-R1845 VanDerWaalsContact OD1-NE 3.14Å; D1811-R1845 IonicContact OD1-NH1 2.83Å; D1811-R1845 PolarHBondContact OD1-NH1 2.89Å; D1811-R1845 IonicContact OD1-NH2 2.63Å; D1811-R1845 PolarHBondContact OD1-NH2 3.11Å; D1811-R1845 IonicContact OD2-CZ 3.75Å; D1811-R1845 IonicContact OD2-NE 2.64Å; D1811-R1845 IonicContact OD2-NH1 2.74Å; D1811-R1845 PolarHBondContact OD2-NH1 2.85Å
1812	C	74.6	Confident	63.7	Low	6 Å²	6	63.6 Å²	63.6	4%	0.041	33%	0.325	C	S	.	.	S	Bend	trans	-60.3	148.5	163.9	-54.7	0	0	0	0	111	H1810 A1816 C1818 Y1825 C1827	H1810-C1812 HydrophobicContact CB-CB 4.3Å; H1810-C1812 PolarHBondContact CE1-O 2.75Å; H1810-C1812 WeakPolarHBondContact ND1-CB 3.21Å; H1810-C1812 PolarHBondContact ND1-N 3.38Å; H1810-C1812 PolarHBondContact ND1-O 2.93Å; C1812-A1816 HydrophobicContact CB-CB 3.98Å; C1812-C1818 HydrophobicContact CB-CB 3.99Å; C1812-C1818 VanDerWaalsContact SG-CB 3.51Å; C1812-C1818 VanDerWaalsContact SG-SG 3.67Å; C1812-Y1825 WeakPolarHBondContact SG-CD2 3.06Å; C1812-C1827 WeakPolarHBondContact CA-SG 3.45Å; C1812-C1827 HydrophobicContact CB-CB 3.59Å; C1812-C1827 WeakPolarHBondContact CB-SG 3.5Å; C1812-C1827 VanDerWaalsContact SG-CA 3.52Å; C1812-C1827 WeakPolarHBondContact SG-CB 3.23Å; C1812-C1827 CovalentContact SG-SG 2.02Å; C1812-C1827 PolarHBondContact SG-SG 3.32Å
1813	D	67	Low	63.9	Low	11 Å²	11	64.1 Å²	64.1	6%	0.059	34%	0.341	C	S	.	.			trans	-54.9	145.3	165.5	-170	-51.9	0	0	0	110.4	R1815 A1816 G1844 C1847	D1813-R1815 PolarHBondContact O-N 3.28Å; D1813-R1815 WeakPolarHBondContact OD1-CB 3.46Å; D1813-R1815 WeakPolarHBondContact OD1-CD 3.33Å; D1813-R1815 VanDerWaalsContact OD1-CG 3.28Å; D1813-R1815 WeakPolarHBondContact OD1-CG 3.14Å; D1813-R1815 PolarHBondContact OD1-N 2.81Å; D1813-A1816 HydrophobicContact CB-CB 4.24Å; D1813-A1816 WeakPolarHBondContact O-CB 3.34Å; D1813-A1816 PolarHBondContact O-N 2.7Å; D1813-G1844 PolarHBondContact N-O 2.99Å; D1813-C1847 HydrophobicContact CB-CB 3.96Å; D1813-C1847 PolarHBondContact OD2-N 3.48Å
1814	R	67.1	Low	63.6	Low	170 Å²	170	64.1 Å²	64.1	64%	0.642	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56	-21.6	175	-75.2	-177.3	164.3	-176.8	-5.1	113.6	F1807	F1807-R1814 HydrophobicContact CD2-CG 3.82Å; F1807-R1814 HydrophobicContact CE2-CG 3.24Å; F1807-R1814 HydrophobicContact CZ-CG 3.78Å
1815	R	61.1	Low	63.6	Low	27 Å²	27	64.7 Å²	64.7	10%	0.102	34%	0.344	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.1	-20.3	-179.2	-63.7	167.2	163.1	-95.1	-64.4	113.9	D1813 V1817 P1830 Y1833 C1847 E1851 D1868 D1871 G1872	D1813-R1815 PolarHBondContact O-N 3.28Å; D1813-R1815 WeakPolarHBondContact OD1-CB 3.46Å; D1813-R1815 WeakPolarHBondContact OD1-CD 3.33Å; D1813-R1815 VanDerWaalsContact OD1-CG 3.28Å; D1813-R1815 WeakPolarHBondContact OD1-CG 3.14Å; D1813-R1815 PolarHBondContact OD1-N 2.81Å; R1815-V1817 PolarHBondContact O-N 3.37Å; R1815-P1830 WeakPolarHBondContact O-CD 3.22Å; R1815-Y1833 HydrophobicContact CB-CD1 3.68Å; R1815-Y1833 HydrophobicContact CB-CE1 3.45Å; R1815-Y1833 VanDerWaalsContact CB-CE1 3.45Å; R1815-Y1833 HydrophobicContact CG-CD1 4.3Å; R1815-Y1833 HydrophobicContact CG-CE1 3.72Å; R1815-C1847 HydrophobicContact CB-CB 4.21Å; R1815-C1847 VanDerWaalsContact CB-O 3.3Å; R1815-C1847 WeakPolarHBondContact CB-O 3.39Å; R1815-C1847 WeakPolarHBondContact CD-O 3.38Å; R1815-E1851 IonicContact CZ-OE1 3.93Å; R1815-E1851 IonicContact CZ-OE2 2.67Å; R1815-E1851 IonicContact NH1-OE1 2.79Å; R1815-E1851 PolarHBondContact NH1-OE1 3.27Å; R1815-E1851 IonicContact NH1-OE2 3.48Å; R1815-E1851 PolarHBondContact NH1-OE2 3.18Å; R1815-E1851 IonicContact NH2-OE1 2.59Å; R1815-E1851 PolarHBondContact NH2-OE1 3.04Å; R1815-E1851 IonicContact NH2-OE2 3.84Å; R1815-E1851 PolarHBondContact NH2-OE2 2.98Å; R1815-D1868 IonicContact NH1-OD1 3.81Å; R1815-D1871 PolarHBondContact NE-O 3.05Å; R1815-G1872 VanDerWaalsContact CZ-N 3.33Å; R1815-G1872 PolarHBondContact NH1-O 3.27Å
1816	A	68.5	Low	64	Low	14 Å²	14	59.4 Å²	59.4	12%	0.116	32%	0.321	C	S	.	.	S	Bend	trans	-64.3	137.4	174.6	0	0	0	0	0	108.6	C1812 D1813 C1818 C1827 G1844 C1847	C1812-A1816 HydrophobicContact CB-CB 3.98Å; D1813-A1816 HydrophobicContact CB-CB 4.24Å; D1813-A1816 WeakPolarHBondContact O-CB 3.34Å; D1813-A1816 PolarHBondContact O-N 2.7Å; A1816-C1818 PolarHBondContact O-N 2.84Å; A1816-C1827 HydrophobicContact CB-CB 4.11Å; A1816-G1844 WeakPolarHBondContact CB-O 3.32Å; A1816-C1847 HydrophobicContact CB-CB 4.14Å; A1816-C1847 WeakPolarHBondContact CB-SG 3.49Å
1817	V	73.2	Confident	65.1	Low	75 Å²	75	56.8 Å²	56.8	46%	0.455	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	89.4	148	-180	0	0	0	0	104.5	R1815 V1819 T1828 P1830	R1815-V1817 PolarHBondContact O-N 3.37Å; V1817-V1819 HydrophobicContact CG1-CG2 3.77Å; V1817-V1819 PolarHBondContact O-N 3.33Å; V1817-T1828 CarbonylContact C-O 3.31Å; V1817-T1828 WeakPolarHBondContact CA-O 3.36Å; V1817-T1828 PolarHBondContact N-O 3.25Å; V1817-T1828 PolarHBondContact O-N 3.13Å; V1817-T1828 PolarHBondContact O-OG1 2.97Å; V1817-P1830 HydrophobicContact CG2-CB 3.76Å; V1817-P1830 HydrophobicContact CG2-CG 3.86Å
1818	C	75.5	Confident	65.8	Low	12 Å²	12	54.8 Å²	54.8	8%	0.081	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-46.8	111	150.7	174.3	0	0	0	0	106.3	C1804 C1812 A1816	C1804-C1818 WeakPolarHBondContact CA-SG 3.22Å; C1804-C1818 HydrophobicContact CB-CB 3.43Å; C1804-C1818 VanDerWaalsContact CB-CB 3.43Å; C1804-C1818 WeakPolarHBondContact CB-SG 3.28Å; C1804-C1818 PolarHBondContact N-SG 2.81Å; C1804-C1818 WeakPolarHBondContact SG-CB 3.38Å; C1804-C1818 PolarHBondContact SG-O 3.47Å; C1804-C1818 CovalentContact SG-SG 2.03Å; C1804-C1818 PolarHBondContact SG-SG 3.41Å; C1812-C1818 HydrophobicContact CB-CB 3.99Å; C1812-C1818 VanDerWaalsContact SG-CB 3.51Å; C1812-C1818 VanDerWaalsContact SG-SG 3.67Å; A1816-C1818 PolarHBondContact O-N 2.84Å
1819	V	69	Low	66.3	Low	52 Å²	52	48.4 Å²	48.4	32%	0.315	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	113.7	175.4	175.5	0	0	0	0	106	V1817 L1821 N1826 T1828	V1817-V1819 HydrophobicContact CG1-CG2 3.77Å; V1817-V1819 PolarHBondContact O-N 3.33Å; V1819-L1821 HydrophobicContact CG1-CD2 3.89Å; V1819-L1821 HydrophobicContact CG1-CG 4.45Å; V1819-L1821 PolarHBondContact O-N 3.44Å; V1819-N1826 PolarHBondContact N-O 3.35Å; V1819-N1826 PolarHBondContact O-N 3.2Å; V1819-T1828 HydrophobicContact CG2-CG2 4.33Å; V1819-T1828 VanDerWaalsContact CG2-OG1 3.29Å; V1819-T1828 WeakPolarHBondContact CG2-OG1 3.19Å
1820	D	61.2	Low	66.6	Low	52 Å²	52	45.7 Å²	45.7	28%	0.278	26%	0.259	S	S	.	.			trans	-51	110.7	165.7	-171.2	40.1	0	0	0	110.2	I1800 N1802	I1800-D1820 WeakPolarHBondContact CB-OD1 3.41Å; I1800-D1820 WeakPolarHBondContact CG2-OD1 3.17Å; N1802-D1820 WeakPolarHBondContact CA-OD1 3.35Å; N1802-D1820 HydrophobicContact CB-CB 4.25Å; N1802-D1820 PolarHBondContact N-OD1 3.06Å
1821	L	62.9	Low	66.2	Low	84 Å²	84	54.1 Å²	54.1	44%	0.44	30%	0.298	S	S	.	.			trans	-117.3	131.9	174.8	-69.8	-167.4	0	0	0	108.1	I1800 V1819 G1823 G1824 N1826	I1800-L1821 WeakPolarHBondContact CG2-O 3.2Å; V1819-L1821 HydrophobicContact CG1-CD2 3.89Å; V1819-L1821 HydrophobicContact CG1-CG 4.45Å; V1819-L1821 PolarHBondContact O-N 3.44Å; L1821-G1823 CarbonylContact O-C 3.6Å; L1821-G1823 PolarHBondContact O-N 3.44Å; L1821-G1824 CarbonylContact O-C 3.51Å; L1821-G1824 VanDerWaalsContact O-C 3.3Å; L1821-G1824 WeakPolarHBondContact O-CA 3.12Å; L1821-G1824 PolarHBondContact O-N 3Å; L1821-G1824 VanDerWaalsContact O-O 3.12Å; L1821-N1826 HydrophobicContact CD1-CB 3.4Å; L1821-N1826 VanDerWaalsContact CD1-CB 3.4Å; L1821-N1826 HydrophobicContact CG-CB 3.9Å
1822	V	54	Low	65.5	Low	67 Å²	67	53.6 Å²	53.6	41%	0.406	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-32.2	-22.1	176	172.6	0	0	0	0	117.3	H1786 M1788 I1798	H1786-V1822 HydrophobicContact CB-CB 4.42Å; H1786-V1822 HydrophobicContact CB-CG1 3.93Å; H1786-V1822 HydrophobicContact CB-CG2 4.32Å; M1788-V1822 HydrophobicContact SD-CG1 4.45Å; I1798-V1822 WeakPolarHBondContact CD1-O 3.4Å; I1798-V1822 WeakPolarHBondContact CG1-O 3.34Å
1823	G	54.7	Low	64.8	Low	58 Å²	58	55.3 Å²	55.3	60%	0.598	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.8	7.2	175.8	0	0	0	0	0	117.1	L1821	L1821-G1823 CarbonylContact O-C 3.6Å; L1821-G1823 PolarHBondContact O-N 3.44Å
1824	G	57.9	Low	64.8	Low	21 Å²	21	60.5 Å²	60.5	22%	0.216	32%	0.324	C	S	.	.	S	Bend	trans	98.4	149.9	-159	0	0	0	0	0	111.7	L1821	L1821-G1824 CarbonylContact O-C 3.51Å; L1821-G1824 VanDerWaalsContact O-C 3.3Å; L1821-G1824 WeakPolarHBondContact O-CA 3.12Å; L1821-G1824 PolarHBondContact O-N 3Å; L1821-G1824 VanDerWaalsContact O-O 3.12Å
1825	Y	64.3	Low	64.8	Low	49 Å²	49	55.7 Å²	55.7	19%	0.192	31%	0.311	C	S	.	.			trans	-44.2	144.2	-172.4	64.4	-73	0	0	0	117.2	E1803 H1810 D1811 C1812 R1845	E1803-Y1825 HydrophobicContact CB-CD1 3.81Å; E1803-Y1825 HydrophobicContact CB-CE1 4.34Å; E1803-Y1825 HydrophobicContact CB-CG 4.11Å; E1803-Y1825 HydrophobicContact CG-CD1 3.49Å; E1803-Y1825 VanDerWaalsContact CG-CD1 3.49Å; E1803-Y1825 HydrophobicContact CG-CE1 3.91Å; E1803-Y1825 HydrophobicContact CG-CG 4.27Å; E1803-Y1825 WeakPolarHBondContact OE2-CA 3.29Å; E1803-Y1825 WeakPolarHBondContact OE2-CB 2.93Å; E1803-Y1825 WeakPolarHBondContact OE2-CD1 2.96Å; E1803-Y1825 PolarHBondContact OE2-N 3.06Å; H1810-Y1825 HydrophobicContact CB-CD2 4.2Å; H1810-Y1825 HydrophobicContact CB-CE2 4.07Å; D1811-Y1825 PolarHBondContact N-OH 3.19Å; D1811-Y1825 VanDerWaalsContact N-OH 3.09Å; D1811-Y1825 VanDerWaalsContact OD1-CE2 3.27Å; D1811-Y1825 WeakPolarHBondContact OD1-CE2 3.3Å; D1811-Y1825 PolarHBondContact OD1-OH 3.05Å; C1812-Y1825 WeakPolarHBondContact SG-CD2 3.06Å; Y1825-R1845 VanDerWaalsContact CE2-NH2 3.3Å
1826	N	71.5	Confident	65.3	Low	48 Å²	48	60.4 Å²	60.4	26%	0.257	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	125.6	156.6	-179.8	69.4	0	0	0	110.2	V1819 L1821 T1828 P1843	V1819-N1826 PolarHBondContact N-O 3.35Å; V1819-N1826 PolarHBondContact O-N 3.2Å; L1821-N1826 HydrophobicContact CD1-CB 3.4Å; L1821-N1826 VanDerWaalsContact CD1-CB 3.4Å; L1821-N1826 HydrophobicContact CG-CB 3.9Å; N1826-T1828 WeakPolarHBondContact ND2-CG2 3.31Å; N1826-P1843 WeakPolarHBondContact OD1-CG 3.45Å
1827	C	74.2	Confident	65.1	Low	1 Å²	1	60.6 Å²	60.6	1%	0.007	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	131	177.3	-39.1	0	0	0	0	109.5	C1812 A1816 P1843 G1844	C1812-C1827 WeakPolarHBondContact CA-SG 3.45Å; C1812-C1827 HydrophobicContact CB-CB 3.59Å; C1812-C1827 WeakPolarHBondContact CB-SG 3.5Å; C1812-C1827 VanDerWaalsContact SG-CA 3.52Å; C1812-C1827 WeakPolarHBondContact SG-CB 3.23Å; C1812-C1827 CovalentContact SG-SG 2.02Å; C1812-C1827 PolarHBondContact SG-SG 3.32Å; A1816-C1827 HydrophobicContact CB-CB 4.11Å; C1827-P1843 VanDerWaalsContact CB-O 3.3Å; C1827-P1843 WeakPolarHBondContact CB-O 3.46Å; C1827-P1843 CarbonylContact O-C 3.47Å; C1827-G1844 WeakPolarHBondContact CB-O 3.36Å
1828	T	73.2	Confident	64.3	Low	49 Å²	49	62.8 Å²	62.8	30%	0.301	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	129.9	174.3	62.4	0	0	0	0	110	V1817 V1819 N1826 P1830	V1817-T1828 CarbonylContact C-O 3.31Å; V1817-T1828 WeakPolarHBondContact CA-O 3.36Å; V1817-T1828 PolarHBondContact N-O 3.25Å; V1817-T1828 PolarHBondContact O-N 3.13Å; V1817-T1828 PolarHBondContact O-OG1 2.97Å; V1819-T1828 HydrophobicContact CG2-CG2 4.33Å; V1819-T1828 VanDerWaalsContact CG2-OG1 3.29Å; V1819-T1828 WeakPolarHBondContact CG2-OG1 3.19Å; N1826-T1828 WeakPolarHBondContact ND2-CG2 3.31Å; T1828-P1830 WeakPolarHBondContact O-CD 3.21Å
1829	C	70.8	Confident	63.6	Low	26 Å²	26	66 Å²	66	18%	0.176	36%	0.362	C	S	.	.			trans	-72	117.9	173.2	-49.2	0	0	0	0	107.4	Y1833 C1847	C1829-Y1833 WeakPolarHBondContact CB-O 3.14Å; C1829-C1847 WeakPolarHBondContact CA-SG 3.3Å; C1829-C1847 HydrophobicContact CB-CB 3.83Å; C1829-C1847 WeakPolarHBondContact CB-SG 3.17Å; C1829-C1847 PolarHBondContact N-SG 3.46Å; C1829-C1847 WeakPolarHBondContact SG-CA 3.22Å; C1829-C1847 WeakPolarHBondContact SG-CB 3.28Å; C1829-C1847 CovalentContact SG-SG 2.04Å; C1829-C1847 PolarHBondContact SG-SG 3.06Å
1830	P	65.1	Low	63.3	Low	31 Å²	31	69.3 Å²	69.3	20%	0.201	38%	0.384	C	S	.	.			trans	-65.8	154.4	-177.1	26.5	-32.3	0	0	0	110.2	R1815 V1817 T1828 M1832 Y1833	R1815-P1830 WeakPolarHBondContact O-CD 3.22Å; V1817-P1830 HydrophobicContact CG2-CB 3.76Å; V1817-P1830 HydrophobicContact CG2-CG 3.86Å; T1828-P1830 WeakPolarHBondContact O-CD 3.21Å; P1830-M1832 HydrophobicContact CG-CE 4.41Å; P1830-M1832 PolarHBondContact O-N 3.12Å; P1830-Y1833 HydrophobicContact CG-CD2 3.58Å; P1830-Y1833 HydrophobicContact CG-CE2 4.01Å; P1830-Y1833 HydrophobicContact CG-CG 4.29Å; P1830-Y1833 PolarHBondContact O-N 2.64Å
1831	E	56.9	Low	63.4	Low	203 Å²	203	75.2 Å²	75.2	95%	0.949	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	70.8	-167	-72.2	-163.6	140.3	0	0	116
1832	M	53.1	Low	63.5	Low	69 Å²	69	76.1 Å²	76.1	34%	0.34	41%	0.411	S	S	.	.	T	Hydrogen-bonded Turn	trans	-178.7	-36.9	174.8	47.7	-124.2	-169.6	0	0	108.5	P1830 V1849 F1854 L1857	P1830-M1832 HydrophobicContact CG-CE 4.41Å; P1830-M1832 PolarHBondContact O-N 3.12Å; M1832-V1849 HydrophobicContact CB-CG2 4.05Å; M1832-V1849 WeakPolarHBondContact O-CB 3.45Å; M1832-V1849 WeakPolarHBondContact O-CG2 3.18Å; M1832-F1854 HydrophobicContact CB-CD2 4.35Å; M1832-F1854 HydrophobicContact CB-CE2 4.14Å; M1832-L1857 HydrophobicContact CB-CD1 3.91Å; M1832-L1857 HydrophobicContact CE-CD1 4.07Å; M1832-L1857 HydrophobicContact CE-CD2 3.92Å; M1832-L1857 HydrophobicContact CG-CD1 3.71Å; M1832-L1857 HydrophobicContact SD-CD1 3.41Å; M1832-L1857 WeakPolarHBondContact SD-CD1 3.43Å; M1832-L1857 HydrophobicContact SD-CD2 4.14Å; M1832-L1857 HydrophobicContact SD-CG 4.44Å
1833	Y	59.5	Low	64.1	Low	43 Å²	43	74.6 Å²	74.6	17%	0.169	40%	0.402	C	S	.	.			trans	-78.1	133.4	175.6	-62.7	-111.6	0	0	0	112	R1815 C1829 P1830 V1849 E1851	R1815-Y1833 HydrophobicContact CB-CD1 3.68Å; R1815-Y1833 HydrophobicContact CB-CE1 3.45Å; R1815-Y1833 VanDerWaalsContact CB-CE1 3.45Å; R1815-Y1833 HydrophobicContact CG-CD1 4.3Å; R1815-Y1833 HydrophobicContact CG-CE1 3.72Å; C1829-Y1833 WeakPolarHBondContact CB-O 3.14Å; P1830-Y1833 HydrophobicContact CG-CD2 3.58Å; P1830-Y1833 HydrophobicContact CG-CE2 4.01Å; P1830-Y1833 HydrophobicContact CG-CG 4.29Å; P1830-Y1833 PolarHBondContact O-N 2.64Å; Y1833-V1849 VanDerWaalsContact CA-CB 3.5Å; Y1833-V1849 HydrophobicContact CD1-CB 3.61Å; Y1833-V1849 HydrophobicContact CD1-CG1 3.43Å; Y1833-V1849 VanDerWaalsContact CD1-CG1 3.43Å; Y1833-V1849 HydrophobicContact CD2-CB 3.78Å; Y1833-V1849 HydrophobicContact CD2-CG1 3.8Å; Y1833-V1849 HydrophobicContact CE1-CB 3.97Å; Y1833-V1849 HydrophobicContact CE1-CG1 3.22Å; Y1833-V1849 HydrophobicContact CE2-CB 4.14Å; Y1833-V1849 HydrophobicContact CE2-CG1 3.64Å; Y1833-V1849 HydrophobicContact CG-CB 3.48Å; Y1833-V1849 VanDerWaalsContact CG-CB 3.48Å; Y1833-V1849 HydrophobicContact CG-CG1 3.7Å; Y1833-E1851 PolarHBondContact OH-OE1 2.79Å
1834	E	67.1	Low	64.8	Low	120 Å²	120	71.8 Å²	71.8	56%	0.561	37%	0.374	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.2	156.9	170.8	-79	-165.9	153.7	0	0	111.2	Y1836 C1847 R1848	E1834-Y1836 HydrophobicContact CB-CD2 4.31Å; E1834-Y1836 HydrophobicContact CB-CE2 3.59Å; E1834-Y1836 PolarHBondContact OE2-OH 3.34Å; E1834-C1847 CarbonylContact O-C 2.89Å; E1834-C1847 WeakPolarHBondContact O-CA 3.03Å; E1834-R1848 PolarHBondContact N-O 2.99Å; E1834-R1848 PolarHBondContact O-N 3.24Å
1835	D	67.7	Low	65.5	Low	69 Å²	69	73.9 Å²	73.9	37%	0.369	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	121	-174.1	-171.2	-4.1	0	0	0	111.3	S1837 P1843 G1844	D1835-S1837 WeakPolarHBondContact OD1-CB 2.97Å; D1835-S1837 PolarHBondContact OD1-N 3.11Å; D1835-S1837 PolarHBondContact OD1-OG 2.87Å; D1835-P1843 WeakPolarHBondContact OD2-CA 3.06Å; D1835-P1843 WeakPolarHBondContact OD2-CB 3Å; D1835-G1844 PolarHBondContact OD1-N 3.06Å; D1835-G1844 VanDerWaalsContact OD1-N 3.08Å; D1835-G1844 PolarHBondContact OD2-N 3.45Å
1836	Y	70.2	Confident	65.7	Low	126 Å²	126	73.5 Å²	73.5	49%	0.494	38%	0.376	S	S	.	.			trans	-116	16	-178.7	-72.8	-87.3	0	0	0	112.5	E1834 I1846 R1848	E1834-Y1836 HydrophobicContact CB-CD2 4.31Å; E1834-Y1836 HydrophobicContact CB-CE2 3.59Å; E1834-Y1836 PolarHBondContact OE2-OH 3.34Å; Y1836-I1846 PolarHBondContact N-O 3.35Å; Y1836-R1848 HydrophobicContact CD2-CB 4.13Å
1837	S	64.4	Low	65.6	Low	17 Å²	17	71.2 Å²	71.2	12%	0.119	36%	0.364	C	S	.	.			trans	-59.4	127.7	178.9	-53.1	0	0	0	0	111.5	D1835 D1839 K1842 G1844 R1845 I1846	D1835-S1837 WeakPolarHBondContact OD1-CB 2.97Å; D1835-S1837 PolarHBondContact OD1-N 3.11Å; D1835-S1837 PolarHBondContact OD1-OG 2.87Å; S1837-D1839 PolarHBondContact O-N 3.48Å; S1837-D1839 VanDerWaalsContact O-N 3.14Å; S1837-K1842 VanDerWaalsContact CB-O 3.3Å; S1837-K1842 WeakPolarHBondContact CB-O 3.49Å; S1837-G1844 PolarHBondContact OG-N 3.03Å; S1837-G1844 VanDerWaalsContact OG-N 3.07Å; S1837-R1845 PolarHBondContact OG-N 3.3Å; S1837-I1846 PolarHBondContact OG-N 3.17Å
1838	P	57.6	Low	65	Low	122 Å²	122	73.2 Å²	73.2	79%	0.792	37%	0.371	S	S	*	.	S	Bend	trans	-67	-16.4	-173.4	-24.6	35.1	0	0	0	115.7	I1846	P1838-I1846 HydrophobicContact CG-CD1 4.41Å
1839	D	61	Low	64.5	Low	78 Å²	78	71 Å²	71	42%	0.417	36%	0.358	S	S	.	.	S	Bend	trans	-112.9	110.4	177.3	-177.6	-5	0	0	0	109.3	S1837 E1841 K1842	S1837-D1839 PolarHBondContact O-N 3.48Å; S1837-D1839 VanDerWaalsContact O-N 3.14Å; D1839-E1841 PolarHBondContact O-N 2.96Å; D1839-E1841 VanDerWaalsContact O-N 3.16Å; D1839-E1841 PolarHBondContact OD1-N 3.27Å; D1839-E1841 VanDerWaalsContact OD1-N 3.16Å; D1839-K1842 HydrophobicContact CB-CB 4.36Å; D1839-K1842 CarbonylContact O-C 3.36Å; D1839-K1842 PolarHBondContact O-N 3.32Å
1840	P	62.6	Low	64.2	Low	122 Å²	122	72.4 Å²	72.4	79%	0.792	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72	-5.2	-174.5	30.9	-36.8	0	0	0	114.2
1841	E	62.3	Low	64.2	Low	177 Å²	177	71.1 Å²	71.1	83%	0.827	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.4	-2.8	168.1	-61.6	-165.5	161.2	0	0	112.6	D1839	D1839-E1841 PolarHBondContact O-N 2.96Å; D1839-E1841 VanDerWaalsContact O-N 3.16Å; D1839-E1841 PolarHBondContact OD1-N 3.27Å; D1839-E1841 VanDerWaalsContact OD1-N 3.16Å
1842	K	65.3	Low	65	Low	102 Å²	102	63 Å²	63	44%	0.443	32%	0.32	S	S	.	.	S	Bend	trans	-127	68.6	174.2	-70.8	-176	171.2	-167.8	0	111.2	S1837 D1839	S1837-K1842 VanDerWaalsContact CB-O 3.3Å; S1837-K1842 WeakPolarHBondContact CB-O 3.49Å; D1839-K1842 HydrophobicContact CB-CB 4.36Å; D1839-K1842 CarbonylContact O-C 3.36Å; D1839-K1842 PolarHBondContact O-N 3.32Å
1843	P	66.7	Low	65.8	Low	35 Å²	35	66.2 Å²	66.2	23%	0.227	33%	0.334	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	160.3	178.8	27.8	-36.3	0	0	0	112.5	N1826 C1827 D1835 R1845	N1826-P1843 WeakPolarHBondContact OD1-CG 3.45Å; C1827-P1843 VanDerWaalsContact CB-O 3.3Å; C1827-P1843 WeakPolarHBondContact CB-O 3.46Å; C1827-P1843 CarbonylContact O-C 3.47Å; D1835-P1843 WeakPolarHBondContact OD2-CA 3.06Å; D1835-P1843 WeakPolarHBondContact OD2-CB 3Å; P1843-R1845 VanDerWaalsContact C-N 3.31Å; P1843-R1845 PolarHBondContact O-N 3.42Å
1844	G	69.3	Low	66	Low	0 Å²	0	68.5 Å²	68.5	0%	0	35%	0.345	C	S	.	.	T	Hydrogen-bonded Turn	trans	64.6	13.9	169	0	0	0	0	0	118.5	D1813 A1816 C1827 D1835 S1837 C1847	D1813-G1844 PolarHBondContact N-O 2.99Å; A1816-G1844 WeakPolarHBondContact CB-O 3.32Å; C1827-G1844 WeakPolarHBondContact CB-O 3.36Å; D1835-G1844 PolarHBondContact OD1-N 3.06Å; D1835-G1844 VanDerWaalsContact OD1-N 3.08Å; D1835-G1844 PolarHBondContact OD2-N 3.45Å; S1837-G1844 PolarHBondContact OG-N 3.03Å; S1837-G1844 VanDerWaalsContact OG-N 3.07Å; G1844-C1847 WeakPolarHBondContact CA-SG 3.42Å
1845	R	71.8	Confident	65.8	Low	64 Å²	64	71.2 Å²	71.2	24%	0.242	36%	0.358	C	S	.	.	S	Bend	trans	-78.7	-11.2	169.6	-62.6	178.9	-173.2	-130.3	-20.3	112.1	D1811 Y1825 S1837 P1843	D1811-R1845 VanDerWaalsContact OD1-CD 3.25Å; D1811-R1845 WeakPolarHBondContact OD1-CD 3.21Å; D1811-R1845 IonicContact OD1-CZ 3.33Å; D1811-R1845 IonicContact OD1-NE 3.24Å; D1811-R1845 PolarHBondContact OD1-NE 2.65Å; D1811-R1845 VanDerWaalsContact OD1-NE 3.14Å; D1811-R1845 IonicContact OD1-NH1 2.83Å; D1811-R1845 PolarHBondContact OD1-NH1 2.89Å; D1811-R1845 IonicContact OD1-NH2 2.63Å; D1811-R1845 PolarHBondContact OD1-NH2 3.11Å; D1811-R1845 IonicContact OD2-CZ 3.75Å; D1811-R1845 IonicContact OD2-NE 2.64Å; D1811-R1845 IonicContact OD2-NH1 2.74Å; D1811-R1845 PolarHBondContact OD2-NH1 2.85Å; Y1825-R1845 VanDerWaalsContact CE2-NH2 3.3Å; S1837-R1845 PolarHBondContact OG-N 3.3Å; P1843-R1845 VanDerWaalsContact C-N 3.31Å; P1843-R1845 PolarHBondContact O-N 3.42Å
1846	I	69	Low	65.5	Low	42 Å²	42	74.3 Å²	74.3	22%	0.215	38%	0.379	C	S	.	.	S	Bend	trans	-137.2	106.4	160.6	-54.2	-177.6	0	0	0	107.4	Y1836 S1837 P1838 R1848	Y1836-I1846 PolarHBondContact N-O 3.35Å; S1837-I1846 PolarHBondContact OG-N 3.17Å; P1838-I1846 HydrophobicContact CG-CD1 4.41Å; I1846-R1848 HydrophobicContact CG2-CG 4.21Å; I1846-R1848 VanDerWaalsContact CG2-CZ 3.49Å; I1846-R1848 VanDerWaalsContact CG2-NH2 3.35Å
1847	C	69.4	Low	65	Low	0 Å²	0	71.2 Å²	71.2	0%	0	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	105.5	-178.5	-81.2	0	0	0	0	111.2	D1813 R1815 A1816 C1829 E1834 G1844	D1813-C1847 HydrophobicContact CB-CB 3.96Å; D1813-C1847 PolarHBondContact OD2-N 3.48Å; R1815-C1847 HydrophobicContact CB-CB 4.21Å; R1815-C1847 VanDerWaalsContact CB-O 3.3Å; R1815-C1847 WeakPolarHBondContact CB-O 3.39Å; R1815-C1847 WeakPolarHBondContact CD-O 3.38Å; A1816-C1847 HydrophobicContact CB-CB 4.14Å; A1816-C1847 WeakPolarHBondContact CB-SG 3.49Å; C1829-C1847 WeakPolarHBondContact CA-SG 3.3Å; C1829-C1847 HydrophobicContact CB-CB 3.83Å; C1829-C1847 WeakPolarHBondContact CB-SG 3.17Å; C1829-C1847 PolarHBondContact N-SG 3.46Å; C1829-C1847 WeakPolarHBondContact SG-CA 3.22Å; C1829-C1847 WeakPolarHBondContact SG-CB 3.28Å; C1829-C1847 CovalentContact SG-SG 2.04Å; C1829-C1847 PolarHBondContact SG-SG 3.06Å; E1834-C1847 CarbonylContact O-C 2.89Å; E1834-C1847 WeakPolarHBondContact O-CA 3.03Å; G1844-C1847 WeakPolarHBondContact CA-SG 3.42Å
1848	R	62.2	Low	64.8	Low	43 Å²	43	72.1 Å²	72.1	16%	0.162	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	108.4	-178.5	-60.3	171.7	-166.9	178.7	3.5	109.2	E1834 Y1836 I1846 E1870	E1834-R1848 PolarHBondContact N-O 2.99Å; E1834-R1848 PolarHBondContact O-N 3.24Å; Y1836-R1848 HydrophobicContact CD2-CB 4.13Å; I1846-R1848 HydrophobicContact CG2-CG 4.21Å; I1846-R1848 VanDerWaalsContact CG2-CZ 3.49Å; I1846-R1848 VanDerWaalsContact CG2-NH2 3.35Å; R1848-E1870 IonicContact CZ-OE1 2.78Å; R1848-E1870 IonicContact CZ-OE2 2.79Å; R1848-E1870 PolarHBondContact NE-O 3.37Å; R1848-E1870 IonicContact NH1-OE1 2.65Å; R1848-E1870 PolarHBondContact NH1-OE1 3.22Å; R1848-E1870 IonicContact NH1-OE2 3.35Å; R1848-E1870 PolarHBondContact NH1-OE2 3.07Å; R1848-E1870 IonicContact NH2-OE1 3.54Å; R1848-E1870 IonicContact NH2-OE2 2.95Å; R1848-E1870 PolarHBondContact NH2-OE2 2.87Å
1849	V	63.6	Low	65.3	Low	2 Å²	2	72.7 Å²	72.7	1%	0.012	37%	0.366	C	S	.	.			trans	-79.8	141.4	152.8	64.9	0	0	0	0	106	M1832 Y1833 E1851 F1854 D1868	M1832-V1849 HydrophobicContact CB-CG2 4.05Å; M1832-V1849 WeakPolarHBondContact O-CB 3.45Å; M1832-V1849 WeakPolarHBondContact O-CG2 3.18Å; Y1833-V1849 VanDerWaalsContact CA-CB 3.5Å; Y1833-V1849 HydrophobicContact CD1-CB 3.61Å; Y1833-V1849 HydrophobicContact CD1-CG1 3.43Å; Y1833-V1849 VanDerWaalsContact CD1-CG1 3.43Å; Y1833-V1849 HydrophobicContact CD2-CB 3.78Å; Y1833-V1849 HydrophobicContact CD2-CG1 3.8Å; Y1833-V1849 HydrophobicContact CE1-CB 3.97Å; Y1833-V1849 HydrophobicContact CE1-CG1 3.22Å; Y1833-V1849 HydrophobicContact CE2-CB 4.14Å; Y1833-V1849 HydrophobicContact CE2-CG1 3.64Å; Y1833-V1849 HydrophobicContact CG-CB 3.48Å; Y1833-V1849 VanDerWaalsContact CG-CB 3.48Å; Y1833-V1849 HydrophobicContact CG-CG1 3.7Å; V1849-E1851 HydrophobicContact CG1-CB 4.09Å; V1849-E1851 HydrophobicContact CG1-CG 3.35Å; V1849-E1851 VanDerWaalsContact CG1-OE2 3.22Å; V1849-E1851 WeakPolarHBondContact CG1-OE2 3.49Å; V1849-E1851 PolarHBondContact O-N 3.33Å; V1849-F1854 HydrophobicContact CG2-CD2 3.85Å; V1849-F1854 HydrophobicContact CG2-CE2 3.94Å; V1849-D1868 VanDerWaalsContact O-CG 3.32Å; V1849-D1868 VanDerWaalsContact O-OD1 3.09Å
1850	N	63	Low	65.9	Low	55 Å²	55	69.7 Å²	69.7	29%	0.294	35%	0.35	S	S	.	.			trans	-75.2	84.2	155.4	-170.5	8.2	0	0	0	107.7	C1852 E1853 D1868	N1850-C1852 PolarHBondContact O-N 2.85Å; N1850-C1852 VanDerWaalsContact OD1-CB 3.27Å; N1850-C1852 WeakPolarHBondContact OD1-CB 3.25Å; N1850-C1852 PolarHBondContact OD1-SG 3.24Å; N1850-E1853 HydrophobicContact CB-CG 4.1Å; N1850-E1853 WeakPolarHBondContact ND2-CG 3.35Å; N1850-E1853 PolarHBondContact ND2-OE1 2.85Å; N1850-E1853 WeakPolarHBondContact O-CB 3.03Å; N1850-E1853 PolarHBondContact O-N 3.48Å; N1850-D1868 HydrophobicContact CB-CB 4.23Å; N1850-D1868 WeakPolarHBondContact OD1-CB 3.18Å
1851	E	66	Low	66.4	Low	4 Å²	4	65.3 Å²	65.3	2%	0.019	32%	0.32	C	S	.	.	G	3₁₀ helix	trans	-53.9	-28.3	-173.1	-85.3	95.6	155.5	0	0	111.4	R1815 Y1833 V1849 E1853 F1854 L1857 H1858 Y1873	R1815-E1851 IonicContact CZ-OE1 3.93Å; R1815-E1851 IonicContact CZ-OE2 2.67Å; R1815-E1851 IonicContact NH1-OE1 2.79Å; R1815-E1851 PolarHBondContact NH1-OE1 3.27Å; R1815-E1851 IonicContact NH1-OE2 3.48Å; R1815-E1851 PolarHBondContact NH1-OE2 3.18Å; R1815-E1851 IonicContact NH2-OE1 2.59Å; R1815-E1851 PolarHBondContact NH2-OE1 3.04Å; R1815-E1851 IonicContact NH2-OE2 3.84Å; R1815-E1851 PolarHBondContact NH2-OE2 2.98Å; Y1833-E1851 PolarHBondContact OH-OE1 2.79Å; V1849-E1851 HydrophobicContact CG1-CB 4.09Å; V1849-E1851 HydrophobicContact CG1-CG 3.35Å; V1849-E1851 VanDerWaalsContact CG1-OE2 3.22Å; V1849-E1851 WeakPolarHBondContact CG1-OE2 3.49Å; V1849-E1851 PolarHBondContact O-N 3.33Å; E1851-E1853 PolarHBondContact O-N 3Å; E1851-E1853 VanDerWaalsContact O-N 3.07Å; E1851-F1854 CarbonylContact O-C 3.45Å; E1851-F1854 PolarHBondContact O-N 3.06Å; E1851-L1857 HydrophobicContact CG-CB 4.45Å; E1851-H1858 HydrophobicContact CB-CB 4.24Å; E1851-H1858 PolarHBondContact O-CD2 2.82Å; E1851-Y1873 HydrophobicContact CB-CD1 3.79Å; E1851-Y1873 HydrophobicContact CB-CE1 4.49Å; E1851-Y1873 HydrophobicContact CB-CG 3.86Å; E1851-Y1873 HydrophobicContact CG-CD1 3.52Å; E1851-Y1873 HydrophobicContact CG-CE1 4.08Å; E1851-Y1873 HydrophobicContact CG-CG 4.11Å; E1851-Y1873 WeakPolarHBondContact OE1-CD1 3.39Å
1852	C	72.6	Confident	66.9	Low	34 Å²	34	62.4 Å²	62.4	23%	0.23	32%	0.317	C	S	.	.	G	3₁₀ helix	trans	-56.5	-12.7	174.3	-43	0	0	0	0	115.1	N1850 C1866 R1867 D1868	N1850-C1852 PolarHBondContact O-N 2.85Å; N1850-C1852 VanDerWaalsContact OD1-CB 3.27Å; N1850-C1852 WeakPolarHBondContact OD1-CB 3.25Å; N1850-C1852 PolarHBondContact OD1-SG 3.24Å; C1852-C1866 WeakPolarHBondContact CA-SG 3.14Å; C1852-C1866 HydrophobicContact CB-CB 3.41Å; C1852-C1866 VanDerWaalsContact CB-CB 3.41Å; C1852-C1866 WeakPolarHBondContact CB-SG 3.21Å; C1852-C1866 PolarHBondContact N-SG 2.78Å; C1852-C1866 VanDerWaalsContact N-SG 3.4Å; C1852-C1866 VanDerWaalsContact SG-CA 3.58Å; C1852-C1866 WeakPolarHBondContact SG-CB 3.2Å; C1852-C1866 PolarHBondContact SG-O 3.39Å; C1852-C1866 CovalentContact SG-SG 2.03Å; C1852-C1866 PolarHBondContact SG-SG 3.47Å; C1852-R1867 WeakPolarHBondContact SG-CA 3.17Å; C1852-R1867 PolarHBondContact SG-N 3.05Å; C1852-R1867 VanDerWaalsContact SG-N 3.41Å; C1852-D1868 PolarHBondContact SG-N 2.02Å
1853	E	69.7	Low	67.3	Low	136 Å²	136	60.5 Å²	60.5	64%	0.636	31%	0.311	S	S	*	.	G	3₁₀ helix	trans	-90	-6.5	171.9	-65.1	-174.5	-157.2	0	0	113	N1850 E1851	N1850-E1853 HydrophobicContact CB-CG 4.1Å; N1850-E1853 WeakPolarHBondContact ND2-CG 3.35Å; N1850-E1853 PolarHBondContact ND2-OE1 2.85Å; N1850-E1853 WeakPolarHBondContact O-CB 3.03Å; N1850-E1853 PolarHBondContact O-N 3.48Å; E1851-E1853 PolarHBondContact O-N 3Å; E1851-E1853 VanDerWaalsContact O-N 3.07Å
1854	F	64.4	Low	67.6	Low	91 Å²	91	59.1 Å²	59.1	40%	0.399	30%	0.303	S	S	.	.			trans	-134.6	96	-175.2	-60	-76.9	0	0	0	113	M1832 V1849 E1851 T1856 L1857 H1858	M1832-F1854 HydrophobicContact CB-CD2 4.35Å; M1832-F1854 HydrophobicContact CB-CE2 4.14Å; V1849-F1854 HydrophobicContact CG2-CD2 3.85Å; V1849-F1854 HydrophobicContact CG2-CE2 3.94Å; E1851-F1854 CarbonylContact O-C 3.45Å; E1851-F1854 PolarHBondContact O-N 3.06Å; F1854-T1856 PolarHBondContact O-N 3.18Å; F1854-L1857 HydrophobicContact CB-CB 4.32Å; F1854-L1857 HydrophobicContact CB-CD1 3.82Å; F1854-L1857 HydrophobicContact CB-CG 4.28Å; F1854-L1857 HydrophobicContact CD2-CD1 4.46Å; F1854-L1857 HydrophobicContact CG-CD1 4.21Å; F1854-L1857 PolarHBondContact O-N 2.65Å; F1854-H1858 PolarHBondContact O-N 2.93Å
1855	E	62.2	Low	68.1	Low	177 Å²	177	62.5 Å²	62.5	83%	0.827	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.5	-11.1	-176.2	-65.8	-175.2	151	0	0	116.9
1856	T	61.9	Low	68.5	Low	133 Å²	133	60.5 Å²	60.5	82%	0.816	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.9	-2.1	179.7	58.7	0	0	0	0	114.3	F1854	F1854-T1856 PolarHBondContact O-N 3.18Å
1857	L	59.8	Low	68.6	Low	62 Å²	62	65.5 Å²	65.5	33%	0.325	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.1	-27.8	179.9	-64.8	171	0	0	0	111.5	M1832 E1851 F1854	M1832-L1857 HydrophobicContact CB-CD1 3.91Å; M1832-L1857 HydrophobicContact CE-CD1 4.07Å; M1832-L1857 HydrophobicContact CE-CD2 3.92Å; M1832-L1857 HydrophobicContact CG-CD1 3.71Å; M1832-L1857 HydrophobicContact SD-CD1 3.41Å; M1832-L1857 WeakPolarHBondContact SD-CD1 3.43Å; M1832-L1857 HydrophobicContact SD-CD2 4.14Å; M1832-L1857 HydrophobicContact SD-CG 4.44Å; E1851-L1857 HydrophobicContact CG-CB 4.45Å; F1854-L1857 HydrophobicContact CB-CB 4.32Å; F1854-L1857 HydrophobicContact CB-CD1 3.82Å; F1854-L1857 HydrophobicContact CB-CG 4.28Å; F1854-L1857 HydrophobicContact CD2-CD1 4.46Å; F1854-L1857 HydrophobicContact CG-CD1 4.21Å; F1854-L1857 PolarHBondContact O-N 2.65Å
1858	H	60.5	Low	68.2	Low	35 Å²	35	67.6 Å²	67.6	16%	0.162	35%	0.347	C	S	.	.			trans	-87.6	137.9	161.4	73.1	59.5	0	0	0	111.4	E1851 F1854 C1860 Y1873	E1851-H1858 HydrophobicContact CB-CB 4.24Å; E1851-H1858 PolarHBondContact O-CD2 2.82Å; F1854-H1858 PolarHBondContact O-N 2.93Å; H1858-C1860 VanDerWaalsContact C-N 3.33Å; H1858-Y1873 HydrophobicContact CB-CD2 3.84Å; H1858-Y1873 HydrophobicContact CB-CE2 3.61Å; H1858-Y1873 HydrophobicContact CB-CG 4.44Å
1859	E	68.2	Low	68	Low	135 Å²	135	67.2 Å²	67.2	63%	0.631	35%	0.349	S	S	*	.			trans	-98.6	21.4	170	-64	-174.5	133.6	0	0	112.3	Y1873 K1893	E1859-Y1873 PolarHBondContact N-OH 2.94Å; E1859-K1893 HydrophobicContact CB-CD 3.85Å; E1859-K1893 HydrophobicContact CB-CG 4.19Å; E1859-K1893 WeakPolarHBondContact O-CA 3.16Å; E1859-K1893 WeakPolarHBondContact O-CB 3.37Å; E1859-K1893 IonicContact OE2-NZ 3.17Å; E1859-K1893 PolarHBondContact OE2-NZ 3.3Å
1860	C	73.9	Confident	67.4	Low	15 Å²	15	72.9 Å²	72.9	10%	0.101	38%	0.376	C	S	.	.			trans	-52.3	140.3	174.9	-58.9	0	0	0	0	112.8	H1858 A1864 C1866 C1875	H1858-C1860 VanDerWaalsContact C-N 3.33Å; C1860-A1864 HydrophobicContact CB-CB 4.18Å; C1860-C1866 VanDerWaalsContact SG-CB 3.58Å; C1860-C1875 WeakPolarHBondContact CA-SG 3.26Å; C1860-C1875 HydrophobicContact CB-CB 3.61Å; C1860-C1875 WeakPolarHBondContact CB-SG 3.32Å; C1860-C1875 WeakPolarHBondContact SG-CB 3.21Å; C1860-C1875 CovalentContact SG-SG 2.02Å; C1860-C1875 PolarHBondContact SG-SG 2.71Å
1861	D	73.5	Confident	66.6	Low	30 Å²	30	75.5 Å²	75.5	16%	0.16	39%	0.39	C	S	.	.			trans	-57.3	144.1	170	-166.2	-68.4	0	0	0	109.6	N1863 A1864 G1892 K1893 C1895	D1861-N1863 PolarHBondContact O-N 3.17Å; D1861-N1863 VanDerWaalsContact OD1-CB 3.3Å; D1861-N1863 WeakPolarHBondContact OD1-CB 3.19Å; D1861-N1863 PolarHBondContact OD1-N 3.02Å; D1861-N1863 PolarHBondContact OD1-ND2 2.76Å; D1861-A1864 HydrophobicContact CB-CB 4.16Å; D1861-A1864 WeakPolarHBondContact O-CA 3.17Å; D1861-A1864 VanDerWaalsContact O-CB 3.31Å; D1861-A1864 WeakPolarHBondContact O-CB 3.14Å; D1861-A1864 PolarHBondContact O-N 3.35Å; D1861-G1892 PolarHBondContact N-O 2.73Å; D1861-K1893 PolarHBondContact N-O 3.3Å; D1861-C1895 HydrophobicContact CB-CB 3.92Å; D1861-C1895 PolarHBondContact OD2-N 2.98Å
1862	P	73	Confident	66.5	Low	115 Å²	115	76.1 Å²	76.1	75%	0.747	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.2	-24.4	171.3	-28.2	36.3	0	0	0	114	K1878	P1862-K1878 PolarHBondContact O-NZ 3.09Å
1863	N	73.5	Confident	66.4	Low	62 Å²	62	76.7 Å²	76.7	33%	0.332	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.6	6.6	174.3	-51.1	-71.5	0	0	0	113.4	D1861 K1878 F1881 C1895	D1861-N1863 PolarHBondContact O-N 3.17Å; D1861-N1863 VanDerWaalsContact OD1-CB 3.3Å; D1861-N1863 WeakPolarHBondContact OD1-CB 3.19Å; D1861-N1863 PolarHBondContact OD1-N 3.02Å; D1861-N1863 PolarHBondContact OD1-ND2 2.76Å; N1863-K1878 WeakPolarHBondContact O-CB 3.48Å; N1863-K1878 WeakPolarHBondContact O-CD 3.04Å; N1863-K1878 WeakPolarHBondContact O-CG 3.45Å; N1863-K1878 PolarHBondContact O-N 3.3Å; N1863-F1881 HydrophobicContact CB-CB 4.45Å; N1863-F1881 HydrophobicContact CB-CD1 3.75Å; N1863-F1881 HydrophobicContact CB-CD2 3.87Å; N1863-F1881 HydrophobicContact CB-CE1 3.84Å; N1863-F1881 HydrophobicContact CB-CE2 3.96Å; N1863-F1881 HydrophobicContact CB-CG 3.77Å; N1863-F1881 HydrophobicContact CB-CZ 3.94Å; N1863-F1881 WeakPolarHBondContact OD1-CZ 3.34Å; N1863-C1895 HydrophobicContact CB-CB 4.43Å
1864	A	73.2	Confident	66.2	Low	7 Å²	7	72.7 Å²	72.7	6%	0.058	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	153.9	172.3	0	0	0	0	0	113.3	C1860 D1861 C1875 Y1876 K1878 G1892 C1895	C1860-A1864 HydrophobicContact CB-CB 4.18Å; D1861-A1864 HydrophobicContact CB-CB 4.16Å; D1861-A1864 WeakPolarHBondContact O-CA 3.17Å; D1861-A1864 VanDerWaalsContact O-CB 3.31Å; D1861-A1864 WeakPolarHBondContact O-CB 3.14Å; D1861-A1864 PolarHBondContact O-N 3.35Å; A1864-C1875 HydrophobicContact CB-CB 3.76Å; A1864-Y1876 CarbonylContact C-O 3.03Å; A1864-Y1876 WeakPolarHBondContact CA-O 3.27Å; A1864-K1878 WeakPolarHBondContact O-CE 3.45Å; A1864-K1878 PolarHBondContact O-NZ 3.5Å; A1864-G1892 VanDerWaalsContact CB-O 3.24Å; A1864-G1892 WeakPolarHBondContact CB-O 3.43Å; A1864-C1895 VanDerWaalsContact CB-SG 3.59Å
1865	T	79.1	Confident	66.9	Low	71 Å²	71	68.4 Å²	68.4	44%	0.436	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	114.9	168	-47.9	0	0	0	0	107.4	Y1876 K1878	T1865-Y1876 PolarHBondContact N-O 2.89Å; T1865-Y1876 VanDerWaalsContact O-CD2 3.29Å; T1865-Y1876 WeakPolarHBondContact O-CD2 3.18Å; T1865-Y1876 PolarHBondContact O-N 3.42Å; T1865-K1878 WeakPolarHBondContact OG1-CG 3.39Å
1866	C	80.1	Confident	67.4	Low	22 Å²	22	63.9 Å²	63.9	15%	0.149	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	136.1	171.6	-177	0	0	0	0	110.1	C1852 C1860	C1852-C1866 WeakPolarHBondContact CA-SG 3.14Å; C1852-C1866 HydrophobicContact CB-CB 3.41Å; C1852-C1866 VanDerWaalsContact CB-CB 3.41Å; C1852-C1866 WeakPolarHBondContact CB-SG 3.21Å; C1852-C1866 PolarHBondContact N-SG 2.78Å; C1852-C1866 VanDerWaalsContact N-SG 3.4Å; C1852-C1866 VanDerWaalsContact SG-CA 3.58Å; C1852-C1866 WeakPolarHBondContact SG-CB 3.2Å; C1852-C1866 PolarHBondContact SG-O 3.39Å; C1852-C1866 CovalentContact SG-SG 2.03Å; C1852-C1866 PolarHBondContact SG-SG 3.47Å; C1860-C1866 VanDerWaalsContact SG-CB 3.58Å
1867	R	69.9	Low	68	Low	146 Å²	146	58.7 Å²	58.7	55%	0.551	30%	0.303	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-119.4	144.7	147.9	-68	165.8	44.7	-147.4	-5.7	109.7	C1852 I1874 Y1876	C1852-R1867 WeakPolarHBondContact SG-CA 3.17Å; C1852-R1867 PolarHBondContact SG-N 3.05Å; C1852-R1867 VanDerWaalsContact SG-N 3.41Å; R1867-I1874 PolarHBondContact N-O 2.8Å; R1867-I1874 PolarHBondContact O-N 3.41Å; R1867-Y1876 HydrophobicContact CB-CE2 3.59Å; R1867-Y1876 HydrophobicContact CG-CD2 4.47Å; R1867-Y1876 HydrophobicContact CG-CE2 3.6Å; R1867-Y1876 PolarHBondContact NH1-OH 2.91Å
1868	D	61.6	Low	68.1	Low	44 Å²	44	60 Å²	60	24%	0.235	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.5	148.8	157	-176.7	26.6	0	0	0	111.9	R1815 V1849 N1850 C1852	R1815-D1868 IonicContact NH1-OD1 3.81Å; V1849-D1868 VanDerWaalsContact O-CG 3.32Å; V1849-D1868 VanDerWaalsContact O-OD1 3.09Å; N1850-D1868 HydrophobicContact CB-CB 4.23Å; N1850-D1868 WeakPolarHBondContact OD1-CB 3.18Å; C1852-D1868 PolarHBondContact SG-N 2.02Å
1869	T	58.2	Low	68.3	Low	35 Å²	35	65.9 Å²	65.9	22%	0.215	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	161	175.7	59.2	0	0	0	0	108.9	D1871 G1872 I1874	T1869-D1871 PolarHBondContact O-N 3.04Å; T1869-G1872 CarbonylContact C-O 3.44Å; T1869-G1872 WeakPolarHBondContact CA-O 3.27Å; T1869-G1872 PolarHBondContact N-O 3.49Å; T1869-G1872 PolarHBondContact O-N 3.18Å; T1869-G1872 WeakPolarHBondContact OG1-CA 3.25Å; T1869-G1872 PolarHBondContact OG1-N 3.19Å; T1869-G1872 PolarHBondContact OG1-O 2.78Å; T1869-I1874 HydrophobicContact CG2-CD1 3.87Å; T1869-I1874 HydrophobicContact CG2-CG1 4.03Å
1870	E	50.6	Low	67.4	Low	121 Å²	121	63.4 Å²	63.4	57%	0.565	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-23.4	-159.1	-54.1	-140.6	145	0	0	115	R1848	R1848-E1870 IonicContact CZ-OE1 2.78Å; R1848-E1870 IonicContact CZ-OE2 2.79Å; R1848-E1870 PolarHBondContact NE-O 3.37Å; R1848-E1870 IonicContact NH1-OE1 2.65Å; R1848-E1870 PolarHBondContact NH1-OE1 3.22Å; R1848-E1870 IonicContact NH1-OE2 3.35Å; R1848-E1870 PolarHBondContact NH1-OE2 3.07Å; R1848-E1870 IonicContact NH2-OE1 3.54Å; R1848-E1870 IonicContact NH2-OE2 2.95Å; R1848-E1870 PolarHBondContact NH2-OE2 2.87Å
1871	D	45.9	Very low	66.8	Low	110 Å²	110	67.3 Å²	67.3	59%	0.588	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-127.4	6.7	172	-70.7	-92.5	0	0	0	113.6	R1815 T1869	R1815-D1871 PolarHBondContact NE-O 3.05Å; T1869-D1871 PolarHBondContact O-N 3.04Å
1872	G	65	Low	66.2	Low	17 Å²	17	70.1 Å²	70.1	18%	0.175	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	167.3	-174.8	0	0	0	0	0	115	R1815 T1869	R1815-G1872 VanDerWaalsContact CZ-N 3.33Å; R1815-G1872 PolarHBondContact NH1-O 3.27Å; T1869-G1872 CarbonylContact C-O 3.44Å; T1869-G1872 WeakPolarHBondContact CA-O 3.27Å; T1869-G1872 PolarHBondContact N-O 3.49Å; T1869-G1872 PolarHBondContact O-N 3.18Å; T1869-G1872 WeakPolarHBondContact OG1-CA 3.25Å; T1869-G1872 PolarHBondContact OG1-N 3.19Å; T1869-G1872 PolarHBondContact OG1-O 2.78Å
1873	Y	69.6	Low	65.5	Low	46 Å²	46	65.6 Å²	65.6	18%	0.18	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	142.3	147.6	70.4	-84.1	0	0	0	108.8	E1851 H1858 E1859 K1893	E1851-Y1873 HydrophobicContact CB-CD1 3.79Å; E1851-Y1873 HydrophobicContact CB-CE1 4.49Å; E1851-Y1873 HydrophobicContact CB-CG 3.86Å; E1851-Y1873 HydrophobicContact CG-CD1 3.52Å; E1851-Y1873 HydrophobicContact CG-CE1 4.08Å; E1851-Y1873 HydrophobicContact CG-CG 4.11Å; E1851-Y1873 WeakPolarHBondContact OE1-CD1 3.39Å; H1858-Y1873 HydrophobicContact CB-CD2 3.84Å; H1858-Y1873 HydrophobicContact CB-CE2 3.61Å; H1858-Y1873 HydrophobicContact CB-CG 4.44Å; E1859-Y1873 PolarHBondContact N-OH 2.94Å; Y1873-K1893 WeakPolarHBondContact OH-CE 3.42Å
1874	I	66.8	Low	65.2	Low	52 Å²	52	64.5 Å²	64.5	27%	0.267	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	122	176.8	-53.8	-176.9	0	0	0	107.1	R1867 T1869 Y1876 P1891	R1867-I1874 PolarHBondContact N-O 2.8Å; R1867-I1874 PolarHBondContact O-N 3.41Å; T1869-I1874 HydrophobicContact CG2-CD1 3.87Å; T1869-I1874 HydrophobicContact CG2-CG1 4.03Å; I1874-Y1876 HydrophobicContact CB-CE1 3.91Å; I1874-Y1876 HydrophobicContact CG2-CD1 3.93Å; I1874-Y1876 HydrophobicContact CG2-CE1 3.41Å; I1874-Y1876 VanDerWaalsContact CG2-CE1 3.41Å; I1874-Y1876 WeakPolarHBondContact O-CE2 3.46Å; I1874-P1891 HydrophobicContact CG2-CB 3.91Å; I1874-P1891 HydrophobicContact CG2-CG 3.97Å
1875	C	77.6	Confident	64.8	Low	1 Å²	1	64.8 Å²	64.8	1%	0.007	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	121.4	172.1	-33	0	0	0	0	107.7	C1860 A1864 P1891 G1892	C1860-C1875 WeakPolarHBondContact CA-SG 3.26Å; C1860-C1875 HydrophobicContact CB-CB 3.61Å; C1860-C1875 WeakPolarHBondContact CB-SG 3.32Å; C1860-C1875 WeakPolarHBondContact SG-CB 3.21Å; C1860-C1875 CovalentContact SG-SG 2.02Å; C1860-C1875 PolarHBondContact SG-SG 2.71Å; A1864-C1875 HydrophobicContact CB-CB 3.76Å; C1875-P1891 WeakPolarHBondContact CA-O 3.5Å; C1875-P1891 WeakPolarHBondContact CB-O 3.45Å; C1875-P1891 PolarHBondContact N-O 2.86Å; C1875-P1891 VanDerWaalsContact N-O 3.12Å; C1875-P1891 CarbonylContact O-C 3.3Å; C1875-P1891 PolarHBondContact SG-O 2.78Å; C1875-P1891 VanDerWaalsContact SG-O 3.4Å; C1875-G1892 WeakPolarHBondContact CB-O 3.32Å; C1875-G1892 VanDerWaalsContact O-CA 3.24Å; C1875-G1892 WeakPolarHBondContact O-CA 3.05Å; C1875-G1892 PolarHBondContact O-N 3.46Å
1876	Y	72.6	Confident	63.6	Low	82 Å²	82	67.2 Å²	67.2	32%	0.322	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	126.4	169	-33.6	-83.4	0	0	0	107	A1864 T1865 R1867 I1874 K1878	A1864-Y1876 CarbonylContact C-O 3.03Å; A1864-Y1876 WeakPolarHBondContact CA-O 3.27Å; T1865-Y1876 PolarHBondContact N-O 2.89Å; T1865-Y1876 VanDerWaalsContact O-CD2 3.29Å; T1865-Y1876 WeakPolarHBondContact O-CD2 3.18Å; T1865-Y1876 PolarHBondContact O-N 3.42Å; R1867-Y1876 HydrophobicContact CB-CE2 3.59Å; R1867-Y1876 HydrophobicContact CG-CD2 4.47Å; R1867-Y1876 HydrophobicContact CG-CE2 3.6Å; R1867-Y1876 PolarHBondContact NH1-OH 2.91Å; I1874-Y1876 HydrophobicContact CB-CE1 3.91Å; I1874-Y1876 HydrophobicContact CG2-CD1 3.93Å; I1874-Y1876 HydrophobicContact CG2-CE1 3.41Å; I1874-Y1876 VanDerWaalsContact CG2-CE1 3.41Å; I1874-Y1876 WeakPolarHBondContact O-CE2 3.46Å; Y1876-K1878 PolarHBondContact O-N 2.9Å
1877	C	74.6	Confident	62.4	Low	24 Å²	24	68.9 Å²	68.9	16%	0.162	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.9	134.1	175.3	-59.1	0	0	0	0	110.3	F1881 L1882 C1895	C1877-F1881 VanDerWaalsContact CB-C 3.42Å; C1877-F1881 HydrophobicContact CB-CB 3.94Å; C1877-F1881 VanDerWaalsContact CB-O 3.26Å; C1877-F1881 WeakPolarHBondContact CB-O 2.98Å; C1877-L1882 PolarHBondContact SG-O 2.69Å; C1877-C1895 WeakPolarHBondContact CA-SG 2.96Å; C1877-C1895 HydrophobicContact CB-CB 3.73Å; C1877-C1895 WeakPolarHBondContact CB-SG 3.38Å; C1877-C1895 WeakPolarHBondContact SG-CA 3.49Å; C1877-C1895 WeakPolarHBondContact SG-CB 3.07Å; C1877-C1895 CovalentContact SG-SG 2.03Å; C1877-C1895 PolarHBondContact SG-SG 3.15Å
1878	K	61.9	Low	61.3	Low	89 Å²	89	64.9 Å²	64.9	39%	0.387	36%	0.359	S	S	.	.	P	Polyproline II helix	trans	-61.7	147.9	179.8	-69.7	167.2	175.5	108.3	0	108.6	P1862 N1863 A1864 T1865 Y1876 G1880 F1881	P1862-K1878 PolarHBondContact O-NZ 3.09Å; N1863-K1878 WeakPolarHBondContact O-CB 3.48Å; N1863-K1878 WeakPolarHBondContact O-CD 3.04Å; N1863-K1878 WeakPolarHBondContact O-CG 3.45Å; N1863-K1878 PolarHBondContact O-N 3.3Å; A1864-K1878 WeakPolarHBondContact O-CE 3.45Å; A1864-K1878 PolarHBondContact O-NZ 3.5Å; T1865-K1878 WeakPolarHBondContact OG1-CG 3.39Å; Y1876-K1878 PolarHBondContact O-N 2.9Å; K1878-G1880 PolarHBondContact O-N 3.01Å; K1878-F1881 WeakPolarHBondContact O-CA 3.32Å; K1878-F1881 PolarHBondContact O-N 2.72Å
1879	E	65	Low	61.2	Low	160 Å²	160	69.5 Å²	69.5	75%	0.748	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-45.5	127.4	179.7	-63.8	-170.6	143.3	0	0	111.9	N226	N226-E1879 PolarHBondContact ND2-OE2 3.2Å; N226-E1879 VanDerWaalsContact ND2-OE2 3.12Å
1880	G	49.6	Very low	61.5	Low	83 Å²	83	71.9 Å²	71.9	86%	0.856	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	94.9	-6.1	-171.3	0	0	0	0	0	114.9	K1878	K1878-G1880 PolarHBondContact O-N 3.01Å
1881	F	62	Low	62.1	Low	97 Å²	97	68 Å²	68	43%	0.425	38%	0.377	S	S	.	.			trans	-126.3	153.9	166	-56.9	-99.8	0	0	0	109.2	N1863 C1877 K1878 C1895	N1863-F1881 HydrophobicContact CB-CB 4.45Å; N1863-F1881 HydrophobicContact CB-CD1 3.75Å; N1863-F1881 HydrophobicContact CB-CD2 3.87Å; N1863-F1881 HydrophobicContact CB-CE1 3.84Å; N1863-F1881 HydrophobicContact CB-CE2 3.96Å; N1863-F1881 HydrophobicContact CB-CG 3.77Å; N1863-F1881 HydrophobicContact CB-CZ 3.94Å; N1863-F1881 WeakPolarHBondContact OD1-CZ 3.34Å; C1877-F1881 VanDerWaalsContact CB-C 3.42Å; C1877-F1881 HydrophobicContact CB-CB 3.94Å; C1877-F1881 VanDerWaalsContact CB-O 3.26Å; C1877-F1881 WeakPolarHBondContact CB-O 2.98Å; K1878-F1881 WeakPolarHBondContact O-CA 3.32Å; K1878-F1881 PolarHBondContact O-N 2.72Å; F1881-C1895 HydrophobicContact CB-CB 3.99Å
1882	L	60.2	Low	63.2	Low	89 Å²	89	62.8 Å²	62.8	47%	0.466	35%	0.349	S	S	.	.			trans	-138	-174.5	-179.2	-127.6	171	0	0	0	108.1	C1877 C1895 I1896 T1897 E1898	C1877-L1882 PolarHBondContact SG-O 2.69Å; L1882-C1895 CarbonylContact O-C 3.23Å; L1882-C1895 WeakPolarHBondContact O-CA 3.43Å; L1882-C1895 WeakPolarHBondContact O-CB 3.39Å; L1882-I1896 CarbonylContact C-O 3.48Å; L1882-I1896 WeakPolarHBondContact CA-O 3.04Å; L1882-I1896 WeakPolarHBondContact CB-O 3.3Å; L1882-I1896 CarbonylContact O-C 2.87Å; L1882-I1896 WeakPolarHBondContact O-CA 3.02Å; L1882-I1896 PolarHBondContact O-N 3.15Å; L1882-T1897 VanDerWaalsContact C-N 3.29Å; L1882-T1897 PolarHBondContact O-N 2.91Å; L1882-E1898 VanDerWaalsContact CD1-OE1 3.31Å; L1882-E1898 WeakPolarHBondContact CD1-OE1 3.21Å; L1882-E1898 WeakPolarHBondContact CD2-OE1 3.44Å
1883	D	59.4	Low	63.6	Low	20 Å²	20	64.2 Å²	64.2	11%	0.107	35%	0.35	C	S	.	.			trans	-116.6	104.4	-162	-175.7	34.7	0	0	0	119	S1885 P1891 G1892 T1897 E1898	D1883-S1885 VanDerWaalsContact OD1-CB 3.27Å; D1883-S1885 WeakPolarHBondContact OD1-CB 3.3Å; D1883-S1885 PolarHBondContact OD1-N 2.9Å; D1883-S1885 PolarHBondContact OD1-OG 3.48Å; D1883-S1885 PolarHBondContact OD2-OG 2.03Å; D1883-P1891 WeakPolarHBondContact OD2-CA 2.93Å; D1883-P1891 WeakPolarHBondContact OD2-CB 3.42Å; D1883-G1892 WeakPolarHBondContact OD1-CA 3.48Å; D1883-G1892 PolarHBondContact OD1-N 2.78Å; D1883-G1892 PolarHBondContact OD2-N 3.11Å; D1883-T1897 CarbonylContact C-O 3.43Å; D1883-T1897 CarbonylContact O-C 3.47Å; D1883-E1898 PolarHBondContact O-N 3.29Å; D1883-E1898 VanDerWaalsContact O-N 3.08Å
1884	V	66.4	Low	63.4	Low	39 Å²	39	67.2 Å²	67.2	24%	0.236	36%	0.364	C	S	.	.			trans	-104	43.5	167.4	-77.6	0	0	0	0	111.6	P1886 K1894 I1896 T1897	V1884-P1886 WeakPolarHBondContact O-CD 3.18Å; V1884-K1894 CarbonylContact C-O 3.1Å; V1884-K1894 WeakPolarHBondContact CA-O 3.21Å; V1884-K1894 HydrophobicContact CG2-CG 4.34Å; V1884-K1894 WeakPolarHBondContact CG2-O 3.27Å; V1884-K1894 PolarHBondContact N-O 2.86Å; V1884-I1896 HydrophobicContact CB-CG1 4.22Å; V1884-I1896 HydrophobicContact CG1-CD1 4.23Å; V1884-I1896 HydrophobicContact CG1-CG1 3.73Å; V1884-I1896 HydrophobicContact CG2-CB 3.75Å; V1884-I1896 HydrophobicContact CG2-CD1 3.93Å; V1884-I1896 HydrophobicContact CG2-CG1 3.5Å; V1884-I1896 VanDerWaalsContact CG2-CG1 3.5Å; V1884-I1896 HydrophobicContact CG2-CG2 3.65Å; V1884-T1897 WeakPolarHBondContact CG1-O 3.39Å
1885	S	64.2	Low	63.7	Low	12 Å²	12	65 Å²	65	8%	0.084	35%	0.353	C	S	.	.			trans	-57.1	124.9	156.9	-60	0	0	0	0	107.4	D1883 D1887 Q1890 G1892 K1893 K1894	D1883-S1885 VanDerWaalsContact OD1-CB 3.27Å; D1883-S1885 WeakPolarHBondContact OD1-CB 3.3Å; D1883-S1885 PolarHBondContact OD1-N 2.9Å; D1883-S1885 PolarHBondContact OD1-OG 3.48Å; D1883-S1885 PolarHBondContact OD2-OG 2.03Å; S1885-D1887 PolarHBondContact O-N 2.79Å; S1885-Q1890 WeakPolarHBondContact CB-O 3.13Å; S1885-Q1890 PolarHBondContact OG-O 3.47Å; S1885-G1892 PolarHBondContact OG-N 2.84Å; S1885-K1893 WeakPolarHBondContact OG-CA 3.26Å; S1885-K1893 PolarHBondContact OG-N 3.22Å; S1885-K1894 PolarHBondContact N-O 3.01Å; S1885-K1894 PolarHBondContact OG-N 2.89Å
1886	P	55.2	Low	62.6	Low	122 Å²	122	70.3 Å²	70.3	79%	0.792	38%	0.38	S	S	*	.	S	Bend	trans	-67	4	-175	-22	34.3	0	0	0	115.3	V1884	V1884-P1886 WeakPolarHBondContact O-CD 3.18Å
1887	D	53.4	Low	61.6	Low	58 Å²	58	69.6 Å²	69.6	31%	0.31	38%	0.384	S	S	.	.	S	Bend	trans	-137.7	108.3	-178.3	171.3	5.7	0	0	0	106.5	S1885 L1889 Q1890	S1885-D1887 PolarHBondContact O-N 2.79Å; D1887-L1889 PolarHBondContact O-N 3.1Å; D1887-L1889 WeakPolarHBondContact OD1-CB 2.96Å; D1887-L1889 PolarHBondContact OD1-N 3.26Å; D1887-Q1890 PolarHBondContact O-N 2.67Å; D1887-Q1890 VanDerWaalsContact OD2-CD 3.31Å; D1887-Q1890 WeakPolarHBondContact OD2-CG 3.02Å; D1887-Q1890 PolarHBondContact OD2-NE2 2.7Å
1888	P	47.6	Very low	60.1	Low	62 Å²	62	72.2 Å²	72.2	40%	0.403	39%	0.394	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-2.9	-177	30.6	-35.5	0	0	0	113.7	Q1890 E1899 P1900	P1888-Q1890 VanDerWaalsContact C-N 3.31Å; P1888-E1899 WeakPolarHBondContact CB-O 3.35Å; P1888-P1900 HydrophobicContact CB-CB 4.13Å
1889	L	59.5	Low	58.5	Low	141 Å²	141	71.6 Å²	71.6	74%	0.738	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.3	-3.6	167.1	-69.1	163.5	0	0	0	112.9	D1887	D1887-L1889 PolarHBondContact O-N 3.1Å; D1887-L1889 WeakPolarHBondContact OD1-CB 2.96Å; D1887-L1889 PolarHBondContact OD1-N 3.26Å
1890	Q	64.3	Low	57.1	Low	85 Å²	85	66.5 Å²	66.5	40%	0.397	37%	0.374	S	S	.	.	S	Bend	trans	-126.1	65.7	177.9	-62.6	-177.6	35.8	0	0	112.8	S1885 D1887 P1888 K1893	S1885-Q1890 WeakPolarHBondContact CB-O 3.13Å; S1885-Q1890 PolarHBondContact OG-O 3.47Å; D1887-Q1890 PolarHBondContact O-N 2.67Å; D1887-Q1890 VanDerWaalsContact OD2-CD 3.31Å; D1887-Q1890 WeakPolarHBondContact OD2-CG 3.02Å; D1887-Q1890 PolarHBondContact OD2-NE2 2.7Å; P1888-Q1890 VanDerWaalsContact C-N 3.31Å; Q1890-K1893 HydrophobicContact CB-CD 4.08Å
1891	P	62.5	Low	56.2	Low	40 Å²	40	65.4 Å²	65.4	26%	0.26	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	146.3	-167.3	-23.9	35	0	0	0	114.8	I1874 C1875 D1883 K1893	I1874-P1891 HydrophobicContact CG2-CB 3.91Å; I1874-P1891 HydrophobicContact CG2-CG 3.97Å; C1875-P1891 WeakPolarHBondContact CA-O 3.5Å; C1875-P1891 WeakPolarHBondContact CB-O 3.45Å; C1875-P1891 PolarHBondContact N-O 2.86Å; C1875-P1891 VanDerWaalsContact N-O 3.12Å; C1875-P1891 CarbonylContact O-C 3.3Å; C1875-P1891 PolarHBondContact SG-O 2.78Å; C1875-P1891 VanDerWaalsContact SG-O 3.4Å; D1883-P1891 WeakPolarHBondContact OD2-CA 2.93Å; D1883-P1891 WeakPolarHBondContact OD2-CB 3.42Å; P1891-K1893 VanDerWaalsContact C-N 3.33Å; P1891-K1893 PolarHBondContact O-N 2.85Å
1892	G	69.4	Low	54.6	Low	0 Å²	0	64.7 Å²	64.7	0%	0	35%	0.35	C	S	.	.	T	Hydrogen-bonded Turn	trans	67.1	20	170.2	0	0	0	0	0	115.9	D1861 A1864 C1875 D1883 S1885	D1861-G1892 PolarHBondContact N-O 2.73Å; A1864-G1892 VanDerWaalsContact CB-O 3.24Å; A1864-G1892 WeakPolarHBondContact CB-O 3.43Å; C1875-G1892 WeakPolarHBondContact CB-O 3.32Å; C1875-G1892 VanDerWaalsContact O-CA 3.24Å; C1875-G1892 WeakPolarHBondContact O-CA 3.05Å; C1875-G1892 PolarHBondContact O-N 3.46Å; D1883-G1892 WeakPolarHBondContact OD1-CA 3.48Å; D1883-G1892 PolarHBondContact OD1-N 2.78Å; D1883-G1892 PolarHBondContact OD2-N 3.11Å; S1885-G1892 PolarHBondContact OG-N 2.84Å
1893	K	74.7	Confident	53.4	Low	47 Å²	47	66 Å²	66	20%	0.204	36%	0.356	C	S	.	.	S	Bend	trans	-67.6	-22.5	165.4	-68.2	-167.6	171.8	-166.7	0	112.9	E1859 D1861 Y1873 S1885 Q1890 P1891	E1859-K1893 HydrophobicContact CB-CD 3.85Å; E1859-K1893 HydrophobicContact CB-CG 4.19Å; E1859-K1893 WeakPolarHBondContact O-CA 3.16Å; E1859-K1893 WeakPolarHBondContact O-CB 3.37Å; E1859-K1893 IonicContact OE2-NZ 3.17Å; E1859-K1893 PolarHBondContact OE2-NZ 3.3Å; D1861-K1893 PolarHBondContact N-O 3.3Å; Y1873-K1893 WeakPolarHBondContact OH-CE 3.42Å; S1885-K1893 WeakPolarHBondContact OG-CA 3.26Å; S1885-K1893 PolarHBondContact OG-N 3.22Å; Q1890-K1893 HydrophobicContact CB-CD 4.08Å; P1891-K1893 VanDerWaalsContact C-N 3.33Å; P1891-K1893 PolarHBondContact O-N 2.85Å
1894	K	65.2	Low	51.8	Low	108 Å²	108	69.2 Å²	69.2	47%	0.47	38%	0.38	S	S	.	.	S	Bend	trans	-149.5	97.9	-179.7	-175.3	-179.3	159.6	-137.6	0	111.6	V1884 S1885 I1896	V1884-K1894 CarbonylContact C-O 3.1Å; V1884-K1894 WeakPolarHBondContact CA-O 3.21Å; V1884-K1894 HydrophobicContact CG2-CG 4.34Å; V1884-K1894 WeakPolarHBondContact CG2-O 3.27Å; V1884-K1894 PolarHBondContact N-O 2.86Å; S1885-K1894 PolarHBondContact N-O 3.01Å; S1885-K1894 PolarHBondContact OG-N 2.89Å; K1894-I1896 PolarHBondContact O-N 3.1Å; K1894-I1896 VanDerWaalsContact O-N 3.13Å
1895	C	72	Confident	50.2	Low	7 Å²	7	73.2 Å²	73.2	5%	0.047	41%	0.405	C	S	.	.			trans	-88.7	90.9	-160.6	-77.8	0	0	0	0	115.2	D1861 N1863 A1864 C1877 F1881 L1882	D1861-C1895 HydrophobicContact CB-CB 3.92Å; D1861-C1895 PolarHBondContact OD2-N 2.98Å; N1863-C1895 HydrophobicContact CB-CB 4.43Å; A1864-C1895 VanDerWaalsContact CB-SG 3.59Å; C1877-C1895 WeakPolarHBondContact CA-SG 2.96Å; C1877-C1895 HydrophobicContact CB-CB 3.73Å; C1877-C1895 WeakPolarHBondContact CB-SG 3.38Å; C1877-C1895 WeakPolarHBondContact SG-CA 3.49Å; C1877-C1895 WeakPolarHBondContact SG-CB 3.07Å; C1877-C1895 CovalentContact SG-SG 2.03Å; C1877-C1895 PolarHBondContact SG-SG 3.15Å; F1881-C1895 HydrophobicContact CB-CB 3.99Å; L1882-C1895 CarbonylContact O-C 3.23Å; L1882-C1895 WeakPolarHBondContact O-CA 3.43Å; L1882-C1895 WeakPolarHBondContact O-CB 3.39Å
1896	I	54.4	Low	48.5	Very low	112 Å²	112	79.9 Å²	79.9	57%	0.574	44%	0.435	S	S	*	.	S	Bend	trans	-128.6	-45.4	150.8	117.2	-165.3	0	0	0	120.6	L1882 V1884 K1894	L1882-I1896 CarbonylContact C-O 3.48Å; L1882-I1896 WeakPolarHBondContact CA-O 3.04Å; L1882-I1896 WeakPolarHBondContact CB-O 3.3Å; L1882-I1896 CarbonylContact O-C 2.87Å; L1882-I1896 WeakPolarHBondContact O-CA 3.02Å; L1882-I1896 PolarHBondContact O-N 3.15Å; V1884-I1896 HydrophobicContact CB-CG1 4.22Å; V1884-I1896 HydrophobicContact CG1-CD1 4.23Å; V1884-I1896 HydrophobicContact CG1-CG1 3.73Å; V1884-I1896 HydrophobicContact CG2-CB 3.75Å; V1884-I1896 HydrophobicContact CG2-CD1 3.93Å; V1884-I1896 HydrophobicContact CG2-CG1 3.5Å; V1884-I1896 VanDerWaalsContact CG2-CG1 3.5Å; V1884-I1896 HydrophobicContact CG2-CG2 3.65Å; K1894-I1896 PolarHBondContact O-N 3.1Å; K1894-I1896 VanDerWaalsContact O-N 3.13Å
1897	T	52.1	Low	47.4	Very low	66 Å²	66	78.4 Å²	78.4	41%	0.405	41%	0.413	S	S	.	.			trans	-173.1	126.1	-172	-38.2	0	0	0	0	122.4	L1882 D1883 V1884	L1882-T1897 VanDerWaalsContact C-N 3.29Å; L1882-T1897 PolarHBondContact O-N 2.91Å; D1883-T1897 CarbonylContact C-O 3.43Å; D1883-T1897 CarbonylContact O-C 3.47Å; V1884-T1897 WeakPolarHBondContact CG1-O 3.39Å
1898	E	42.5	Very low	46.7	Very low	79 Å²	79	78 Å²	78	37%	0.369	41%	0.414	S	S	.	.			trans	145.7	-166.7	153.4	-65.4	84.7	-67	0	0	125.3	L1882 D1883 D2309	L1882-E1898 VanDerWaalsContact CD1-OE1 3.31Å; L1882-E1898 WeakPolarHBondContact CD1-OE1 3.21Å; L1882-E1898 WeakPolarHBondContact CD2-OE1 3.44Å; D1883-E1898 PolarHBondContact O-N 3.29Å; D1883-E1898 VanDerWaalsContact O-N 3.08Å; E1898-D2309 HydrophobicContact CB-CB 4.33Å
1899	E	30.1	Very low	45.8	Very low	77 Å²	77	76 Å²	76	36%	0.36	40%	0.4	S	S	.	.			trans	-139.9	0	-160.9	-72.3	-165	60.5	0	0	121.9	P1888 K2306 D2309	P1888-E1899 WeakPolarHBondContact CB-O 3.35Å; E1899-K2306 IonicContact OE2-NZ 3.2Å; E1899-K2306 PolarHBondContact OE2-NZ 2.75Å; E1899-D2309 HydrophobicContact CB-CB 4.26Å
1900	P	34.1	Very low	44.4	Very low	53 Å²	53	71.7 Å²	71.7	34%	0.344	38%	0.38	S	S	.	.				0	-167.7	0	40.5	-19.3	0	0	0	124.8	P1888	P1888-P1900 HydrophobicContact CB-CB 4.13Å
1901	V	31.6	Very low	42.5	Very low	60 Å²	60	73.6 Å²	73.6	36%	0.364	40%	0.397	S	S	.	.			trans	99.3	0	162	-44.2	0	0	0	0	124	V2305 Y2310	V1901-V2305 HydrophobicContact CG2-CG1 3.78Å; V1901-Y2310 WeakPolarHBondContact O-CE2 3.36Å; V1901-Y2310 VanDerWaalsContact O-CZ 3.31Å; V1901-Y2310 PolarHBondContact O-OH 3.38Å
1902	I	28.4	Very low	40.7	Very low	81 Å²	81	76.5 Å²	76.5	42%	0.415	42%	0.416	S	S	.	.				0	-109.4	0	-145.4	171	0	0	0	122.9	Y2271 Q2303	I1902-Y2271 HydrophobicContact CD1-CE2 4.11Å; I1902-Q2303 HydrophobicContact CG2-CB 3.91Å; I1902-Q2303 HydrophobicContact CG2-CG 3.58Å
1903	I	34	Very low	39.4	Very low	116 Å²	116	83.2 Å²	83.2	60%	0.595	45%	0.451	S	S	*	.			trans	-157.4	167.6	-149.6	-100.1	168.3	0	0	0	122.9	Q2303	I1903-Q2303 PolarHBondContact O-NE2 3.33Å
1904	S	27.1	Very low	38	Very low	88 Å²	88	87.6 Å²	87.6	62%	0.615	47%	0.472	S	S	*	.			trans	149.7	170.4	139.7	-156.2	0	0	0	0	122
1905	T	32.6	Very low	37.2	Very low	123 Å²	123	86.5 Å²	86.5	76%	0.755	47%	0.471	S	S	*	.			trans	-159.1	-171.5	178	64.5	0	0	0	0	114.3
1906	Q	28.4	Very low	36.1	Very low	153 Å²	153	88.1 Å²	88.1	72%	0.715	48%	0.481	S	S	*	.			cis	-172.6	-177.2	3.9	-131.5	-176.1	110.8	0	0	111.4
1907	R	32.7	Very low	35.8	Very low	90 Å²	90	86 Å²	86	34%	0.34	47%	0.474	S	S	.	.			cis	-146.3	-82.7	-5.5	-155.1	-157.7	171	-92.6	-11	121.6	F924 E925	F924-R1907 HydrophobicContact CD1-CG 4.35Å; F924-R1907 HydrophobicContact CE1-CG 3.38Å; F924-R1907 VanDerWaalsContact CE1-NH2 3.28Å; F924-R1907 HydrophobicContact CZ-CG 4.04Å; F924-R1907 PolarHBondContact O-NH2 2.67Å; E925-R1907 IonicContact OE1-CZ 3.4Å; E925-R1907 IonicContact OE1-NH1 3.41Å; E925-R1907 PolarHBondContact OE1-NH1 2.85Å; E925-R1907 IonicContact OE1-NH2 3.42Å
1908	P	36.7	Very low	35.8	Very low	49 Å²	49	82.9 Å²	82.9	32%	0.318	46%	0.455	S	S	.	.			trans	-137.5	-177.6	-130.6	42.4	-25.2	0	0	0	124	K918 N1434	K918-P1908 PolarHBondContact NZ-O 2.93Å; N1434-P1908 VanDerWaalsContact ND2-C 3.35Å; N1434-P1908 PolarHBondContact ND2-O 2.78Å
1909	V	28.7	Very low	36.3	Very low	20 Å²	20	82 Å²	82	12%	0.121	46%	0.461	C	S	.	.			trans	-140.1	-171.9	172.7	87.9	0	0	0	0	117.3	K918 V920 E925 N1434	K918-V1909 HydrophobicContact CD-CG2 4.09Å; V920-V1909 HydrophobicContact CB-CG1 4.12Å; V920-V1909 HydrophobicContact CG1-CB 4.34Å; V920-V1909 HydrophobicContact CG1-CG1 3.31Å; V920-V1909 HydrophobicContact CG2-CB 4.08Å; V920-V1909 HydrophobicContact CG2-CG1 3.67Å; V920-V1909 HydrophobicContact CG2-CG2 4.04Å; E925-V1909 HydrophobicContact CG-CG1 4.15Å; E925-V1909 WeakPolarHBondContact OE2-CG1 3.32Å; N1434-V1909 VanDerWaalsContact ND2-CA 3.35Å; N1434-V1909 WeakPolarHBondContact ND2-CA 3.37Å; N1434-V1909 WeakPolarHBondContact OD1-CA 3.49Å
1910	T	30.2	Very low	37.1	Very low	52 Å²	52	85.6 Å²	85.6	32%	0.319	48%	0.482	S	S	.	.			trans	178.7	-178.5	152.5	20.7	0	0	0	0	114.1	N1436	N1436-T1910 VanDerWaalsContact CB-C 3.41Å; N1436-T1910 VanDerWaalsContact CB-CB 3.44Å; N1436-T1910 WeakPolarHBondContact CB-OG1 3.18Å; N1436-T1910 PolarHBondContact ND2-O 3.06Å; N1436-T1910 PolarHBondContact O-OG1 2.67Å
1911	V	25.8	Very low	37.7	Very low	124 Å²	124	92.5 Å²	92.5	75%	0.752	50%	0.501	S	S	*	.			trans	-132.3	156.8	-165	-62.5	0	0	0	0	121	N1436	N1436-V1911 VanDerWaalsContact CG-CA 3.48Å; N1436-V1911 VanDerWaalsContact CG-N 3.35Å; N1436-V1911 VanDerWaalsContact CG-O 3.27Å; N1436-V1911 VanDerWaalsContact ND2-C 3.32Å; N1436-V1911 WeakPolarHBondContact ND2-CA 3.09Å; N1436-V1911 PolarHBondContact ND2-N 2.94Å; N1436-V1911 PolarHBondContact OD1-O 3.43Å; N1436-V1911 VanDerWaalsContact OD1-O 3.06Å
1912	P	24.4	Very low	39.3	Very low	102 Å²	102	94.5 Å²	94.5	66%	0.662	51%	0.505	S	S	*	.			trans	-98.8	-161.5	-171.9	41.9	-39.4	0	0	0	118.2
1913	I	41.1	Very low	40.9	Very low	141 Å²	141	90.9 Å²	90.9	72%	0.723	49%	0.487	S	S	*	.			cis	-147.8	-78.8	48	-47.7	169.1	0	0	0	120.5	P1917	I1913-P1917 WeakPolarHBondContact O-CG 3.28Å
1914	E	46.2	Very low	42.2	Very low	139 Å²	139	88.8 Å²	88.8	65%	0.65	48%	0.477	S	S	*	.			trans	-97.5	-113.4	-136.8	-152	-76.9	115.7	0	0	122.9	T1916 P1917	E1914-T1916 CarbonylContact O-C 3.31Å; E1914-T1916 VanDerWaalsContact O-CA 3.27Å; E1914-T1916 WeakPolarHBondContact O-CA 3.45Å; E1914-T1916 PolarHBondContact O-N 3.09Å; E1914-T1916 VanDerWaalsContact O-N 3.1Å; E1914-P1917 WeakPolarHBondContact O-CD 3.38Å; E1914-P1917 WeakPolarHBondContact O-CG 3.45Å
1915	L	47.3	Very low	43.8	Very low	84 Å²	84	91.7 Å²	91.7	44%	0.44	48%	0.478	S	S	.	.	S	Bend	trans	-24	104.2	-162.8	-158.6	-176.5	0	0	0	112	F1922	L1915-F1922 HydrophobicContact CB-CB 3.71Å; L1915-F1922 HydrophobicContact CB-CD1 4.24Å; L1915-F1922 HydrophobicContact CB-CD2 4.07Å; L1915-F1922 HydrophobicContact CB-CG 3.79Å; L1915-F1922 HydrophobicContact CD1-CB 3.84Å; L1915-F1922 HydrophobicContact CD1-CD2 4.1Å; L1915-F1922 HydrophobicContact CD1-CG 4.3Å; L1915-F1922 HydrophobicContact CD2-CB 3.56Å; L1915-F1922 HydrophobicContact CG-CB 3.83Å; L1915-F1922 HydrophobicContact CG-CG 4.4Å; L1915-F1922 WeakPolarHBondContact O-CA 3.32Å; L1915-F1922 WeakPolarHBondContact O-CB 3.32Å; L1915-F1922 WeakPolarHBondContact O-CD1 3.16Å; L1915-F1922 WeakPolarHBondContact O-CG 3.27Å
1916	T	49.8	Very low	45	Very low	42 Å²	42	91.2 Å²	91.2	26%	0.258	48%	0.475	S	S	.	.	S	Bend	trans	-27.5	111.1	-141.9	-57	0	0	0	0	116.4	E1914 C1918 C1923 K1925 C1931	E1914-T1916 CarbonylContact O-C 3.31Å; E1914-T1916 VanDerWaalsContact O-CA 3.27Å; E1914-T1916 WeakPolarHBondContact O-CA 3.45Å; E1914-T1916 PolarHBondContact O-N 3.09Å; E1914-T1916 VanDerWaalsContact O-N 3.1Å; T1916-C1918 PolarHBondContact O-N 3.16Å; T1916-C1923 PolarHBondContact O-N 3.48Å; T1916-K1925 WeakPolarHBondContact OG1-CE 3.43Å; T1916-K1925 PolarHBondContact OG1-NZ 3.18Å; T1916-K1925 VanDerWaalsContact OG1-NZ 3.09Å; T1916-C1931 HydrophobicContact CG2-CB 3.96Å
1917	P	48.6	Very low	46.6	Very low	66 Å²	66	85.4 Å²	85.4	43%	0.429	45%	0.449	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64	120.8	-161.1	-23.8	37.4	0	0	0	112.6	I1913 E1914 C1931	I1913-P1917 WeakPolarHBondContact O-CG 3.28Å; E1914-P1917 WeakPolarHBondContact O-CD 3.38Å; E1914-P1917 WeakPolarHBondContact O-CG 3.45Å; P1917-C1931 PolarHBondContact O-SG 3.37Å
1918	C	51.3	Low	47.8	Very low	1 Å²	1	82.5 Å²	82.5	1%	0.007	45%	0.447	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	62	178.7	-123.1	0	0	0	0	108	T1916 L1920 R1921 C1923 C1931 G1934 I1935 R1936	T1916-C1918 PolarHBondContact O-N 3.16Å; C1918-L1920 PolarHBondContact O-N 3.38Å; C1918-R1921 CarbonylContact C-O 3.46Å; C1918-R1921 WeakPolarHBondContact CA-O 3.45Å; C1918-R1921 WeakPolarHBondContact CB-O 3.36Å; C1918-R1921 PolarHBondContact N-O 3.13Å; C1918-R1921 CarbonylContact O-C 3.35Å; C1918-R1921 PolarHBondContact O-N 2.74Å; C1918-C1923 WeakPolarHBondContact CB-SG 3.03Å; C1918-C1923 PolarHBondContact SG-SG 3.04Å; C1918-C1931 WeakPolarHBondContact CA-SG 3.23Å; C1918-C1931 HydrophobicContact CB-CB 4.03Å; C1918-C1931 WeakPolarHBondContact CB-SG 3.35Å; C1918-C1931 WeakPolarHBondContact SG-CA 3.15Å; C1918-C1931 WeakPolarHBondContact SG-CB 2.95Å; C1918-C1931 CovalentContact SG-SG 2.03Å; C1918-C1931 PolarHBondContact SG-SG 2.89Å; C1918-G1934 CarbonylContact C-O 3.4Å; C1918-G1934 WeakPolarHBondContact CA-O 3.13Å; C1918-I1935 PolarHBondContact SG-N 2.98Å; C1918-R1936 PolarHBondContact SG-N 2.95Å; C1918-R1936 PolarHBondContact SG-O 2.93Å
1919	A	52.3	Low	49.1	Very low	60 Å²	60	81.2 Å²	81.2	50%	0.496	44%	0.437	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.1	-123.8	-167.1	0	0	0	0	0	111.2	R1921 G1934 I1935	A1919-R1921 PolarHBondContact O-N 3.47Å; A1919-G1934 PolarHBondContact N-O 3.34Å; A1919-I1935 HydrophobicContact CB-CG2 3.77Å
1920	L	47.6	Very low	50.8	Low	154 Å²	154	83.7 Å²	83.7	81%	0.806	45%	0.445	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.9	11.3	-179.5	-59.7	175.6	0	0	0	113.5	C1918	C1918-L1920 PolarHBondContact O-N 3.38Å
1921	R	47.3	Very low	52.4	Low	197 Å²	197	82.3 Å²	82.3	74%	0.743	44%	0.437	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-138.9	178.3	169.2	-71.6	-164.4	178.2	-156.8	-0.9	109.8	C1918 A1919	C1918-R1921 CarbonylContact C-O 3.46Å; C1918-R1921 WeakPolarHBondContact CA-O 3.45Å; C1918-R1921 WeakPolarHBondContact CB-O 3.36Å; C1918-R1921 PolarHBondContact N-O 3.13Å; C1918-R1921 CarbonylContact O-C 3.35Å; C1918-R1921 PolarHBondContact O-N 2.74Å; A1919-R1921 PolarHBondContact O-N 3.47Å
1922	F	64.4	Low	53.7	Low	103 Å²	103	77.9 Å²	77.9	45%	0.452	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	137.5	-156.2	-66.1	-45.2	0	0	0	108.8	L1915 C1937	L1915-F1922 HydrophobicContact CB-CB 3.71Å; L1915-F1922 HydrophobicContact CB-CD1 4.24Å; L1915-F1922 HydrophobicContact CB-CD2 4.07Å; L1915-F1922 HydrophobicContact CB-CG 3.79Å; L1915-F1922 HydrophobicContact CD1-CB 3.84Å; L1915-F1922 HydrophobicContact CD1-CD2 4.1Å; L1915-F1922 HydrophobicContact CD1-CG 4.3Å; L1915-F1922 HydrophobicContact CD2-CB 3.56Å; L1915-F1922 HydrophobicContact CG-CB 3.83Å; L1915-F1922 HydrophobicContact CG-CG 4.4Å; L1915-F1922 WeakPolarHBondContact O-CA 3.32Å; L1915-F1922 WeakPolarHBondContact O-CB 3.32Å; L1915-F1922 WeakPolarHBondContact O-CD1 3.16Å; L1915-F1922 WeakPolarHBondContact O-CG 3.27Å; F1922-C1937 PolarHBondContact O-SG 3.36Å
1923	C	63.3	Low	54.7	Low	4 Å²	4	75.6 Å²	75.6	3%	0.027	40%	0.4	C	S	.	.			trans	-112.5	136.5	-162.4	-62.9	0	0	0	0	116.6	T1916 C1918 K1925 C1931 R1936 C1937	T1916-C1923 PolarHBondContact O-N 3.48Å; C1918-C1923 WeakPolarHBondContact CB-SG 3.03Å; C1918-C1923 PolarHBondContact SG-SG 3.04Å; C1923-K1925 PolarHBondContact O-N 3.28Å; C1923-C1931 HydrophobicContact CB-CB 4.1Å; C1923-R1936 PolarHBondContact SG-O 3.38Å; C1923-C1937 WeakPolarHBondContact CA-SG 3.15Å; C1923-C1937 HydrophobicContact CB-CB 3.56Å; C1923-C1937 WeakPolarHBondContact CB-SG 3.37Å; C1923-C1937 WeakPolarHBondContact SG-CA 3.09Å; C1923-C1937 WeakPolarHBondContact SG-CB 3.44Å; C1923-C1937 PolarHBondContact SG-N 2.93Å; C1923-C1937 CovalentContact SG-SG 2.04Å; C1923-C1937 PolarHBondContact SG-SG 3.13Å
1924	N	60.2	Low	55	Low	73 Å²	73	70.6 Å²	70.6	39%	0.39	38%	0.383	S	S	.	.			trans	-96.9	91.1	-164.5	-168.1	-15.3	0	0	0	112.6	T1926 L1927 E1929	N1924-T1926 PolarHBondContact O-N 3.06Å; N1924-T1926 WeakPolarHBondContact OD1-CB 3.01Å; N1924-T1926 PolarHBondContact OD1-N 2.75Å; N1924-T1926 PolarHBondContact OD1-OG1 2.8Å; N1924-L1927 PolarHBondContact O-N 2.83Å; N1924-E1929 PolarHBondContact N-OE2 2.95Å; N1924-E1929 WeakPolarHBondContact O-CB 3Å
1925	K	61.8	Low	55.3	Low	148 Å²	148	69 Å²	69	64%	0.643	38%	0.378	S	S	*	.	G	3₁₀ helix	trans	-45.8	-21.7	176.5	-70.2	174.8	176.4	167	0	115.1	T1916 C1923 E1929	T1916-K1925 WeakPolarHBondContact OG1-CE 3.43Å; T1916-K1925 PolarHBondContact OG1-NZ 3.18Å; T1916-K1925 VanDerWaalsContact OG1-NZ 3.09Å; C1923-K1925 PolarHBondContact O-N 3.28Å; K1925-E1929 VanDerWaalsContact CA-O 3.29Å; K1925-E1929 WeakPolarHBondContact CA-O 3.3Å
1926	T	56.3	Low	55.6	Low	113 Å²	113	71 Å²	71	69%	0.693	38%	0.379	S	S	*	.	G	3₁₀ helix	trans	-74.6	-25	179.5	68	0	0	0	0	115.2	N1924 G1928	N1924-T1926 PolarHBondContact O-N 3.06Å; N1924-T1926 WeakPolarHBondContact OD1-CB 3.01Å; N1924-T1926 PolarHBondContact OD1-N 2.75Å; N1924-T1926 PolarHBondContact OD1-OG1 2.8Å; T1926-G1928 VanDerWaalsContact C-N 3.25Å; T1926-G1928 PolarHBondContact O-N 2.74Å
1927	L	61.7	Low	56.4	Low	32 Å²	32	70.5 Å²	70.5	17%	0.168	38%	0.377	C	S	.	.	G	3₁₀ helix	trans	-82.2	-3.7	179.2	-77.5	166.3	0	0	0	113.2	N1924 E1929 Q1949 C1952	N1924-L1927 PolarHBondContact O-N 2.83Å; L1927-E1929 HydrophobicContact CB-CB 4.48Å; L1927-E1929 HydrophobicContact CB-CG 3.89Å; L1927-Q1949 WeakPolarHBondContact CD2-O 3.36Å; L1927-C1952 PolarHBondContact O-SG 2.72Å
1928	G	57.9	Low	57.3	Low	29 Å²	29	69.8 Å²	69.8	30%	0.299	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.5	9	-158.6	0	0	0	0	0	112.8	T1926 C1952	T1926-G1928 VanDerWaalsContact C-N 3.25Å; T1926-G1928 PolarHBondContact O-N 2.74Å; G1928-C1952 VanDerWaalsContact C-SG 3.53Å; G1928-C1952 PolarHBondContact O-SG 2.04Å; G1928-C1952 VanDerWaalsContact O-SG 3.38Å
1929	E	63.8	Low	58.2	Low	22 Å²	22	70.6 Å²	70.6	10%	0.103	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73	153.6	165	-64.3	174.2	177.7	0	0	110.9	N1924 K1925 L1927 C1937 E1938 R1945	N1924-E1929 PolarHBondContact N-OE2 2.95Å; N1924-E1929 WeakPolarHBondContact O-CB 3Å; K1925-E1929 VanDerWaalsContact CA-O 3.29Å; K1925-E1929 WeakPolarHBondContact CA-O 3.3Å; L1927-E1929 HydrophobicContact CB-CB 4.48Å; L1927-E1929 HydrophobicContact CB-CG 3.89Å; E1929-C1937 HydrophobicContact CB-CB 4.25Å; E1929-C1937 HydrophobicContact CG-CB 4.26Å; E1929-C1937 VanDerWaalsContact OE2-CB 3.27Å; E1929-C1937 WeakPolarHBondContact OE2-CB 3.47Å; E1929-E1938 VanDerWaalsContact CA-O 3.3Å; E1929-E1938 WeakPolarHBondContact CA-O 3.17Å; E1929-R1945 VanDerWaalsContact CG-NH1 3.33Å; E1929-R1945 IonicContact OE1-CZ 3.29Å; E1929-R1945 IonicContact OE1-NH1 2.71Å; E1929-R1945 PolarHBondContact OE1-NH1 3.49Å; E1929-R1945 IonicContact OE1-NH2 3.54Å; E1929-R1945 PolarHBondContact OE1-NH2 2.97Å
1930	Y	65.9	Low	58.7	Low	72 Å²	72	73.5 Å²	73.5	28%	0.282	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	167.7	163.2	51.9	-73.7	0	0	0	106.7	V1932 E1938 C1939 Q1940 P1941	Y1930-V1932 HydrophobicContact CD2-CG2 4.33Å; Y1930-V1932 HydrophobicContact CE2-CG2 3.63Å; Y1930-V1932 PolarHBondContact O-N 3.05Å; Y1930-E1938 WeakPolarHBondContact CE1-O 3.32Å; Y1930-E1938 PolarHBondContact N-O 3.41Å; Y1930-E1938 PolarHBondContact O-N 2.02Å; Y1930-C1939 PolarHBondContact OH-O 3.09Å; Y1930-C1939 VanDerWaalsContact OH-O 3.06Å; Y1930-Q1940 HydrophobicContact CE1-CB 3.98Å; Y1930-Q1940 HydrophobicContact CE1-CG 4.43Å; Y1930-Q1940 VanDerWaalsContact CE1-N 3.35Å; Y1930-Q1940 WeakPolarHBondContact OH-CA 3.17Å; Y1930-P1941 WeakPolarHBondContact OH-CD 3.32Å
1931	C	64.2	Low	58.8	Low	23 Å²	23	71.1 Å²	71.1	16%	0.155	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	112.2	-178.3	179	0	0	0	0	110.5	T1916 P1917 C1918 C1923 G1934	T1916-C1931 HydrophobicContact CG2-CB 3.96Å; P1917-C1931 PolarHBondContact O-SG 3.37Å; C1918-C1931 WeakPolarHBondContact CA-SG 3.23Å; C1918-C1931 HydrophobicContact CB-CB 4.03Å; C1918-C1931 WeakPolarHBondContact CB-SG 3.35Å; C1918-C1931 WeakPolarHBondContact SG-CA 3.15Å; C1918-C1931 WeakPolarHBondContact SG-CB 2.95Å; C1918-C1931 CovalentContact SG-SG 2.03Å; C1918-C1931 PolarHBondContact SG-SG 2.89Å; C1923-C1931 HydrophobicContact CB-CB 4.1Å; C1931-G1934 WeakPolarHBondContact SG-CA 3.34Å
1932	V	51.7	Low	58.9	Low	30 Å²	30	62.7 Å²	62.7	18%	0.182	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	127.2	175.1	-173.5	0	0	0	0	109	Y1930 G1934 I1935 R1936 E1938	Y1930-V1932 HydrophobicContact CD2-CG2 4.33Å; Y1930-V1932 HydrophobicContact CE2-CG2 3.63Å; Y1930-V1932 PolarHBondContact O-N 3.05Å; V1932-G1934 PolarHBondContact O-N 2.99Å; V1932-I1935 PolarHBondContact O-N 3.31Å; V1932-I1935 VanDerWaalsContact O-N 3.12Å; V1932-R1936 HydrophobicContact CB-CG 4.43Å; V1932-R1936 PolarHBondContact N-O 2.95Å; V1932-R1936 PolarHBondContact O-N 2.91Å; V1932-E1938 HydrophobicContact CG2-CB 4Å
1933	A	46.9	Very low	59	Low	54 Å²	54	59.9 Å²	59.9	45%	0.446	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.6	21.2	177.2	0	0	0	0	0	115.5	E1426 I1935	E1426-A1933 HydrophobicContact CG-CB 4.42Å; A1933-I1935 VanDerWaalsContact C-N 3.34Å; A1933-I1935 HydrophobicContact CB-CG1 4.41Å; A1933-I1935 WeakPolarHBondContact O-CG1 3.36Å; A1933-I1935 PolarHBondContact O-N 3.19Å
1934	G	45.5	Very low	58.9	Low	36 Å²	36	60.3 Å²	60.3	37%	0.371	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.5	19.1	-177.9	0	0	0	0	0	114.8	C1918 A1919 C1931 V1932	C1918-G1934 CarbonylContact C-O 3.4Å; C1918-G1934 WeakPolarHBondContact CA-O 3.13Å; A1919-G1934 PolarHBondContact N-O 3.34Å; C1931-G1934 WeakPolarHBondContact SG-CA 3.34Å; V1932-G1934 PolarHBondContact O-N 2.99Å
1935	I	53.1	Low	58.9	Low	106 Å²	106	58.4 Å²	58.4	54%	0.544	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-140.4	-22.6	-175.6	-5.3	175.4	0	0	0	117.7	C1918 A1919 V1932 A1933	C1918-I1935 PolarHBondContact SG-N 2.98Å; A1919-I1935 HydrophobicContact CB-CG2 3.77Å; V1932-I1935 PolarHBondContact O-N 3.31Å; V1932-I1935 VanDerWaalsContact O-N 3.12Å; A1933-I1935 VanDerWaalsContact C-N 3.34Å; A1933-I1935 HydrophobicContact CB-CG1 4.41Å; A1933-I1935 WeakPolarHBondContact O-CG1 3.36Å; A1933-I1935 PolarHBondContact O-N 3.19Å
1936	R	53.3	Low	58.3	Low	125 Å²	125	56.1 Å²	56.1	47%	0.472	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	167.3	-178.1	72.7	-173.6	-164.5	-159.8	13.1	114.9	C1918 C1923 V1932 E1938	C1918-R1936 PolarHBondContact SG-N 2.95Å; C1918-R1936 PolarHBondContact SG-O 2.93Å; C1923-R1936 PolarHBondContact SG-O 3.38Å; V1932-R1936 HydrophobicContact CB-CG 4.43Å; V1932-R1936 PolarHBondContact N-O 2.95Å; V1932-R1936 PolarHBondContact O-N 2.91Å; R1936-E1938 HydrophobicContact CG-CG 4.37Å; R1936-E1938 IonicContact CZ-OE1 2.73Å; R1936-E1938 VanDerWaalsContact CZ-OE1 3.3Å; R1936-E1938 IonicContact CZ-OE2 2.94Å; R1936-E1938 IonicContact NE-OE1 2.82Å; R1936-E1938 PolarHBondContact NE-OE1 2.74Å; R1936-E1938 VanDerWaalsContact NE-OE1 3.11Å; R1936-E1938 IonicContact NE-OE2 3.03Å; R1936-E1938 PolarHBondContact NE-OE2 3.24Å; R1936-E1938 VanDerWaalsContact NH2-CD 3.28Å; R1936-E1938 IonicContact NH2-OE1 3.01Å; R1936-E1938 PolarHBondContact NH2-OE1 3.46Å; R1936-E1938 IonicContact NH2-OE2 3.3Å; R1936-E1938 PolarHBondContact NH2-OE2 3.46Å
1937	C	68	Low	58	Low	32 Å²	32	55.5 Å²	55.5	22%	0.216	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	111.7	-167.4	-42.2	0	0	0	0	111.5	F1922 C1923 E1929	F1922-C1937 PolarHBondContact O-SG 3.36Å; C1923-C1937 WeakPolarHBondContact CA-SG 3.15Å; C1923-C1937 HydrophobicContact CB-CB 3.56Å; C1923-C1937 WeakPolarHBondContact CB-SG 3.37Å; C1923-C1937 WeakPolarHBondContact SG-CA 3.09Å; C1923-C1937 WeakPolarHBondContact SG-CB 3.44Å; C1923-C1937 PolarHBondContact SG-N 2.93Å; C1923-C1937 CovalentContact SG-SG 2.04Å; C1923-C1937 PolarHBondContact SG-SG 3.13Å; E1929-C1937 HydrophobicContact CB-CB 4.25Å; E1929-C1937 HydrophobicContact CG-CB 4.26Å; E1929-C1937 VanDerWaalsContact OE2-CB 3.27Å; E1929-C1937 WeakPolarHBondContact OE2-CB 3.47Å
1938	E	66.6	Low	57.7	Low	52 Å²	52	59.9 Å²	59.9	24%	0.243	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	165	-172.1	-67.3	-177.1	145	0	0	113.1	E1929 Y1930 V1932 R1936	E1929-E1938 VanDerWaalsContact CA-O 3.3Å; E1929-E1938 WeakPolarHBondContact CA-O 3.17Å; Y1930-E1938 WeakPolarHBondContact CE1-O 3.32Å; Y1930-E1938 PolarHBondContact N-O 3.41Å; Y1930-E1938 PolarHBondContact O-N 2.02Å; V1932-E1938 HydrophobicContact CG2-CB 4Å; R1936-E1938 HydrophobicContact CG-CG 4.37Å; R1936-E1938 IonicContact CZ-OE1 2.73Å; R1936-E1938 VanDerWaalsContact CZ-OE1 3.3Å; R1936-E1938 IonicContact CZ-OE2 2.94Å; R1936-E1938 IonicContact NE-OE1 2.82Å; R1936-E1938 PolarHBondContact NE-OE1 2.74Å; R1936-E1938 VanDerWaalsContact NE-OE1 3.11Å; R1936-E1938 IonicContact NE-OE2 3.03Å; R1936-E1938 PolarHBondContact NE-OE2 3.24Å; R1936-E1938 VanDerWaalsContact NH2-CD 3.28Å; R1936-E1938 IonicContact NH2-OE1 3.01Å; R1936-E1938 PolarHBondContact NH2-OE1 3.46Å; R1936-E1938 IonicContact NH2-OE2 3.3Å; R1936-E1938 PolarHBondContact NH2-OE2 3.46Å
1939	C	70.6	Confident	57.6	Low	18 Å²	18	66.7 Å²	66.7	12%	0.122	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	146.2	-175.9	-77.2	0	0	0	0	115.4	Y1930 H1943 C1952	Y1930-C1939 PolarHBondContact OH-O 3.09Å; Y1930-C1939 VanDerWaalsContact OH-O 3.06Å; C1939-H1943 WeakPolarHBondContact CB-O 3.26Å; C1939-C1952 WeakPolarHBondContact CA-SG 3.38Å; C1939-C1952 HydrophobicContact CB-CB 3.53Å; C1939-C1952 WeakPolarHBondContact CB-SG 3.39Å; C1939-C1952 VanDerWaalsContact SG-CA 3.59Å; C1939-C1952 WeakPolarHBondContact SG-CB 3.41Å; C1939-C1952 CovalentContact SG-SG 2.03Å; C1939-C1952 PolarHBondContact SG-SG 3.26Å
1940	Q	63.1	Low	57	Low	120 Å²	120	66.9 Å²	66.9	56%	0.561	36%	0.362	S	S	*	.	P	Polyproline II helix	trans	-54.5	139.9	-167.9	-165.2	176.2	25.2	0	0	112.3	Y1930 G1942 H1943	Y1930-Q1940 HydrophobicContact CE1-CB 3.98Å; Y1930-Q1940 HydrophobicContact CE1-CG 4.43Å; Y1930-Q1940 VanDerWaalsContact CE1-N 3.35Å; Y1930-Q1940 WeakPolarHBondContact OH-CA 3.17Å; Q1940-G1942 CarbonylContact O-C 3.57Å; Q1940-G1942 PolarHBondContact O-N 2.98Å; Q1940-H1943 WeakPolarHBondContact O-CA 3.39Å; Q1940-H1943 WeakPolarHBondContact O-CB 3.3Å; Q1940-H1943 PolarHBondContact O-N 3.25Å
1941	P	48.6	Very low	57.1	Low	105 Å²	105	68.3 Å²	68.3	68%	0.682	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.1	120.3	-168.7	-27.9	38.2	0	0	0	112.1	Y1930	Y1930-P1941 WeakPolarHBondContact OH-CD 3.32Å
1942	G	50.2	Low	57.3	Low	20 Å²	20	68.2 Å²	68.2	21%	0.206	38%	0.377	C	S	.	.	T	Hydrogen-bonded Turn	trans	90.6	10	-169.4	0	0	0	0	0	115.6	Q1940 R1954 A1955	Q1940-G1942 CarbonylContact O-C 3.57Å; Q1940-G1942 PolarHBondContact O-N 2.98Å; G1942-R1954 CarbonylContact O-C 3.57Å; G1942-R1954 WeakPolarHBondContact O-CA 3.2Å; G1942-R1954 VanDerWaalsContact O-CG 3.32Å; G1942-R1954 WeakPolarHBondContact O-CG 3.31Å; G1942-A1955 PolarHBondContact O-N 3.32Å
1943	H	65.6	Low	57.5	Low	43 Å²	43	72 Å²	72	20%	0.199	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	149.8	170.9	-58.8	77.4	0	0	0	110.3	C1939 Q1940 C1952 E1953 R1954	C1939-H1943 WeakPolarHBondContact CB-O 3.26Å; Q1940-H1943 WeakPolarHBondContact O-CA 3.39Å; Q1940-H1943 WeakPolarHBondContact O-CB 3.3Å; Q1940-H1943 PolarHBondContact O-N 3.25Å; H1943-C1952 HydrophobicContact CB-CB 3.95Å; H1943-E1953 CarbonylContact C-O 3.59Å; H1943-E1953 WeakPolarHBondContact CA-O 3.47Å; H1943-R1954 WeakPolarHBondContact CD2-CA 3.44Å; H1943-R1954 PolarHBondContact CD2-N 3.1Å; H1943-R1954 PolarHBondContact NE2-NE 3.45Å; H1943-R1954 VanDerWaalsContact NE2-NE 3.11Å
1944	V	62.6	Low	58	Low	13 Å²	13	78.2 Å²	78.2	8%	0.079	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	142.4	-171.7	-67.1	0	0	0	0	110	E1953 A1955 I2023 R2053	V1944-E1953 PolarHBondContact N-O 3.2Å; V1944-E1953 WeakPolarHBondContact O-CA 3.24Å; V1944-E1953 PolarHBondContact O-N 3.19Å; V1944-E1953 VanDerWaalsContact O-O 3.09Å; V1944-A1955 HydrophobicContact CB-CB 4.34Å; V1944-A1955 HydrophobicContact CG1-CB 3.82Å; V1944-A1955 HydrophobicContact CG2-CB 3.7Å; V1944-I2023 HydrophobicContact CB-CD1 4.03Å; V1944-I2023 HydrophobicContact CB-CG1 3.92Å; V1944-I2023 HydrophobicContact CG1-CB 4Å; V1944-I2023 HydrophobicContact CG1-CD1 3.8Å; V1944-I2023 HydrophobicContact CG1-CG1 3.64Å; V1944-I2023 HydrophobicContact CG1-CG2 3.95Å; V1944-I2023 HydrophobicContact CG2-CD1 3.92Å; V1944-I2023 HydrophobicContact CG2-CG1 4.36Å; V1944-R2053 HydrophobicContact CG2-CG 4.29Å
1945	R	60.2	Low	58.7	Low	34 Å²	34	77.1 Å²	77.1	13%	0.128	39%	0.392	C	S	.	.			trans	-98.5	172.4	178.3	61.6	-173.1	-178.1	-167.2	2.2	112.5	E1929 D1947 D1948 S1950	E1929-R1945 VanDerWaalsContact CG-NH1 3.33Å; E1929-R1945 IonicContact OE1-CZ 3.29Å; E1929-R1945 IonicContact OE1-NH1 2.71Å; E1929-R1945 PolarHBondContact OE1-NH1 3.49Å; E1929-R1945 IonicContact OE1-NH2 3.54Å; E1929-R1945 PolarHBondContact OE1-NH2 2.97Å; R1945-D1947 WeakPolarHBondContact CD-O 3.4Å; R1945-D1947 VanDerWaalsContact CG-O 3.22Å; R1945-D1947 WeakPolarHBondContact CG-O 3.33Å; R1945-D1947 PolarHBondContact NE-O 3.34Å; R1945-D1948 IonicContact CZ-OD1 3.5Å; R1945-D1948 IonicContact NE-OD1 3.74Å; R1945-D1948 IonicContact NH2-OD1 3.59Å; R1945-D1948 PolarHBondContact NH2-OD1 2.03Å; R1945-S1950 WeakPolarHBondContact CB-O 3.45Å; R1945-S1950 WeakPolarHBondContact CD-O 3.03Å
1946	L	49.5	Very low	59	Low	100 Å²	100	77 Å²	77	52%	0.524	39%	0.385	S	S	.	.	S	Bend	trans	-86.9	-29.9	-179.4	-88.9	133.9	0	0	0	113.7	S1950 R2053	L1946-S1950 WeakPolarHBondContact CA-OG 3.12Å; L1946-S1950 PolarHBondContact N-OG 3.24Å; L1946-R2053 PolarHBondContact O-NH1 3.14Å
1947	D	49.5	Very low	59.7	Low	99 Å²	99	73.7 Å²	73.7	53%	0.529	38%	0.384	S	S	.	.	S	Bend	trans	-160.9	172.7	-178.9	49.4	33.7	0	0	0	108.7	R1945 Q1949 S1950	R1945-D1947 WeakPolarHBondContact CD-O 3.4Å; R1945-D1947 VanDerWaalsContact CG-O 3.22Å; R1945-D1947 WeakPolarHBondContact CG-O 3.33Å; R1945-D1947 PolarHBondContact NE-O 3.34Å; D1947-Q1949 PolarHBondContact O-N 3.06Å; D1947-S1950 PolarHBondContact N-OG 2.82Å; D1947-S1950 PolarHBondContact O-N 3.29Å; D1947-S1950 PolarHBondContact O-OG 3.16Å; D1947-S1950 VanDerWaalsContact OD1-CB 3.29Å; D1947-S1950 WeakPolarHBondContact OD1-CB 3.02Å; D1947-S1950 PolarHBondContact OD1-N 2.82Å; D1947-S1950 VanDerWaalsContact OD1-N 3.07Å; D1947-S1950 PolarHBondContact OD1-OG 3.38Å
1948	D	55.4	Low	59.7	Low	124 Å²	124	74 Å²	74	66%	0.663	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70	8.9	-171.9	-69.2	-54.1	0	0	0	116.4	R1945	R1945-D1948 IonicContact CZ-OD1 3.5Å; R1945-D1948 IonicContact NE-OD1 3.74Å; R1945-D1948 IonicContact NH2-OD1 3.59Å; R1945-D1948 PolarHBondContact NH2-OD1 2.03Å
1949	Q	55.4	Low	59.7	Low	172 Å²	172	74.2 Å²	74.2	80%	0.804	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-131.6	3.4	176.4	-65.1	-173.5	-21.8	0	0	113.7	L1927 D1947	L1927-Q1949 WeakPolarHBondContact CD2-O 3.36Å; D1947-Q1949 PolarHBondContact O-N 3.06Å
1950	S	52.3	Low	60	Low	27 Å²	27	73.3 Å²	73.3	19%	0.189	39%	0.387	C	S	.	.	S	Bend	trans	-91.8	153.7	172.7	38.2	0	0	0	0	112.3	R1945 L1946 D1947	R1945-S1950 WeakPolarHBondContact CB-O 3.45Å; R1945-S1950 WeakPolarHBondContact CD-O 3.03Å; L1946-S1950 WeakPolarHBondContact CA-OG 3.12Å; L1946-S1950 PolarHBondContact N-OG 3.24Å; D1947-S1950 PolarHBondContact N-OG 2.82Å; D1947-S1950 PolarHBondContact O-N 3.29Å; D1947-S1950 PolarHBondContact O-OG 3.16Å; D1947-S1950 VanDerWaalsContact OD1-CB 3.29Å; D1947-S1950 WeakPolarHBondContact OD1-CB 3.02Å; D1947-S1950 PolarHBondContact OD1-N 2.82Å; D1947-S1950 VanDerWaalsContact OD1-N 3.07Å; D1947-S1950 PolarHBondContact OD1-OG 3.38Å
1951	V	66.8	Low	60.5	Low	101 Å²	101	68.1 Å²	68.1	61%	0.612	36%	0.363	S	S	*	.			trans	-74.8	146.7	178.8	-173.2	0	0	0	0	110.1	E1953	V1951-E1953 PolarHBondContact O-N 3.11Å
1952	C	68.4	Low	62.1	Low	21 Å²	21	63.2 Å²	63.2	14%	0.142	33%	0.331	C	S	.	.			trans	-66.9	114.5	-177	-55.2	0	0	0	0	114	L1927 G1928 C1939 H1943	L1927-C1952 PolarHBondContact O-SG 2.72Å; G1928-C1952 VanDerWaalsContact C-SG 3.53Å; G1928-C1952 PolarHBondContact O-SG 2.04Å; G1928-C1952 VanDerWaalsContact O-SG 3.38Å; C1939-C1952 WeakPolarHBondContact CA-SG 3.38Å; C1939-C1952 HydrophobicContact CB-CB 3.53Å; C1939-C1952 WeakPolarHBondContact CB-SG 3.39Å; C1939-C1952 VanDerWaalsContact SG-CA 3.59Å; C1939-C1952 WeakPolarHBondContact SG-CB 3.41Å; C1939-C1952 CovalentContact SG-SG 2.03Å; C1939-C1952 PolarHBondContact SG-SG 3.26Å; H1943-C1952 HydrophobicContact CB-CB 3.95Å
1953	E	56.5	Low	63.7	Low	110 Å²	110	62.9 Å²	62.9	51%	0.514	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	147.8	178.2	-58	-169.7	158.7	0	0	112.2	H1943 V1944 V1951 A1955	H1943-E1953 CarbonylContact C-O 3.59Å; H1943-E1953 WeakPolarHBondContact CA-O 3.47Å; V1944-E1953 PolarHBondContact N-O 3.2Å; V1944-E1953 WeakPolarHBondContact O-CA 3.24Å; V1944-E1953 PolarHBondContact O-N 3.19Å; V1944-E1953 VanDerWaalsContact O-O 3.09Å; V1951-E1953 PolarHBondContact O-N 3.11Å; E1953-A1955 PolarHBondContact O-N 3.06Å
1954	R	57	Low	64.6	Low	184 Å²	184	60.9 Å²	60.9	69%	0.694	31%	0.314	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.7	121.3	-170.4	-160.7	173.6	-62.4	164.4	3.5	113.5	G1942 H1943 P2054	G1942-R1954 CarbonylContact O-C 3.57Å; G1942-R1954 WeakPolarHBondContact O-CA 3.2Å; G1942-R1954 VanDerWaalsContact O-CG 3.32Å; G1942-R1954 WeakPolarHBondContact O-CG 3.31Å; H1943-R1954 WeakPolarHBondContact CD2-CA 3.44Å; H1943-R1954 PolarHBondContact CD2-N 3.1Å; H1943-R1954 PolarHBondContact NE2-NE 3.45Å; H1943-R1954 VanDerWaalsContact NE2-NE 3.11Å; R1954-P2054 WeakPolarHBondContact O-CG 3.44Å
1955	A	59.1	Low	65.5	Low	13 Å²	13	61 Å²	61	11%	0.107	32%	0.316	C	S	.	.	P	Polyproline II helix	trans	-81.9	161.7	-174.9	0	0	0	0	0	113.9	G1942 V1944 E1953 F2051	G1942-A1955 PolarHBondContact O-N 3.32Å; V1944-A1955 HydrophobicContact CB-CB 4.34Å; V1944-A1955 HydrophobicContact CG1-CB 3.82Å; V1944-A1955 HydrophobicContact CG2-CB 3.7Å; E1953-A1955 PolarHBondContact O-N 3.06Å; A1955-F2051 HydrophobicContact CB-CD1 4.36Å
1956	W	60.5	Low	66.4	Low	103 Å²	103	63.5 Å²	63.5	39%	0.39	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	132.9	166.1	-72.9	-1.5	0	0	0	110.9	F1958 F2051 M2052	W1956-F1958 HydrophobicContact CB-CE2 4.22Å; W1956-F1958 HydrophobicContact CB-CZ 4Å; W1956-F1958 HydrophobicContact CE3-CZ 4.06Å; W1956-F2051 WeakPolarHBondContact O-CA 3.23Å; W1956-M2052 PolarHBondContact N-O 2.69Å; W1956-M2052 PolarHBondContact O-N 3.3Å
1957	A	67	Low	68	Low	56 Å²	56	61.6 Å²	61.6	46%	0.463	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	126.7	-175.3	0	0	0	0	0	110.9	T2049 V2050 F2051	A1957-T2049 HydrophobicContact CB-CG2 3.78Å; A1957-V2050 WeakPolarHBondContact CA-O 3.35Å; A1957-F2051 HydrophobicContact CB-CD1 3.87Å; A1957-F2051 HydrophobicContact CB-CE1 3.67Å; A1957-F2051 HydrophobicContact CB-CZ 4.45Å
1958	F	68.1	Low	69.3	Low	39 Å²	39	60.3 Å²	60.3	17%	0.171	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	116.2	178.5	-55.5	-53.8	0	0	0	110.9	W1956 F1960 V2050 P2060 V2063	W1956-F1958 HydrophobicContact CB-CE2 4.22Å; W1956-F1958 HydrophobicContact CB-CZ 4Å; W1956-F1958 HydrophobicContact CE3-CZ 4.06Å; F1958-F1960 HydrophobicContact CB-CE1 4.01Å; F1958-F1960 HydrophobicContact CB-CE2 4.27Å; F1958-F1960 HydrophobicContact CB-CZ 3.64Å; F1958-V2050 PolarHBondContact N-O 3.47Å; F1958-V2050 PolarHBondContact O-N 2.63Å; F1958-P2060 HydrophobicContact CD1-CB 4.31Å; F1958-P2060 HydrophobicContact CD1-CG 3.72Å; F1958-P2060 HydrophobicContact CE1-CG 3.73Å; F1958-P2060 HydrophobicContact CG-CB 4.44Å; F1958-P2060 HydrophobicContact CG-CG 4.28Å; F1958-P2060 HydrophobicContact CZ-CG 4.29Å; F1958-V2063 HydrophobicContact CD2-CG2 4.4Å
1959	A	67.2	Low	70	Confident	56 Å²	56	62.9 Å²	62.9	46%	0.463	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	136.4	178.3	0	0	0	0	0	112.2	Y2048	A1959-Y2048 CarbonylContact C-O 3.58Å; A1959-Y2048 WeakPolarHBondContact CA-O 3.4Å
1960	F	77.1	Confident	70.6	Confident	0 Å²	0	59.6 Å²	59.6	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	137.2	176.8	-43.3	-64.1	0	0	0	111.4	F1958 Y2048 V2050 V2063 W2064 I2067 P2092 F2093	F1958-F1960 HydrophobicContact CB-CE1 4.01Å; F1958-F1960 HydrophobicContact CB-CE2 4.27Å; F1958-F1960 HydrophobicContact CB-CZ 3.64Å; F1960-Y2048 HydrophobicContact CB-CD1 4.5Å; F1960-Y2048 HydrophobicContact CB-CE1 3.88Å; F1960-Y2048 HydrophobicContact CD2-CE1 4.42Å; F1960-Y2048 HydrophobicContact CD2-CE2 4.47Å; F1960-Y2048 PolarHBondContact N-O 2.87Å; F1960-Y2048 WeakPolarHBondContact O-CD1 3.3Å; F1960-Y2048 WeakPolarHBondContact O-CE1 3.44Å; F1960-Y2048 PolarHBondContact O-N 2.56Å; F1960-V2050 HydrophobicContact CD2-CB 4.41Å; F1960-V2050 HydrophobicContact CD2-CG2 3.91Å; F1960-V2050 HydrophobicContact CE2-CB 3.83Å; F1960-V2050 HydrophobicContact CE2-CG2 3.69Å; F1960-V2063 HydrophobicContact CE2-CG1 4.02Å; F1960-V2063 HydrophobicContact CZ-CB 4.08Å; F1960-V2063 HydrophobicContact CZ-CG1 3.91Å; F1960-W2064 HydrophobicContact CB-CE3 3.78Å; F1960-W2064 HydrophobicContact CB-CZ3 3.67Å; F1960-W2064 HydrophobicContact CD1-CE3 4.03Å; F1960-W2064 HydrophobicContact CD2-CE3 4.41Å; F1960-W2064 HydrophobicContact CE1-CB 4.43Å; F1960-W2064 AromaticContact CG-CE3 3.83Å; F1960-W2064 HydrophobicContact CG-CE3 3.83Å; F1960-W2064 HydrophobicContact CG-CZ3 4.25Å; F1960-I2067 HydrophobicContact CD2-CD1 3.96Å; F1960-I2067 HydrophobicContact CE2-CD1 3.65Å; F1960-I2067 HydrophobicContact CZ-CD1 4.48Å; F1960-P2092 HydrophobicContact CD1-CG 4.26Å; F1960-F2093 AromaticContact CD1-CE2 3.83Å; F1960-F2093 HydrophobicContact CD1-CE2 3.83Å; F1960-F2093 HydrophobicContact CD1-CZ 4.03Å; F1960-F2093 AromaticContact CE1-CE2 3.56Å; F1960-F2093 HydrophobicContact CE1-CE2 3.56Å; F1960-F2093 AromaticContact CE1-CZ 3.7Å; F1960-F2093 HydrophobicContact CE1-CZ 3.7Å
1961	P	74.2	Confident	71.4	Confident	11 Å²	11	62.6 Å²	62.6	7%	0.071	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	137.3	173	34.3	-33	0	0	0	112.1	V2045 F2046 N2112	P1961-V2045 HydrophobicContact CB-CG1 4.35Å; P1961-F2046 CarbonylContact C-O 3.25Å; P1961-F2046 WeakPolarHBondContact CA-O 3.41Å; P1961-N2112 WeakPolarHBondContact CG-ND2 3.34Å; P1961-N2112 VanDerWaalsContact CG-OD1 3.25Å; P1961-N2112 WeakPolarHBondContact CG-OD1 3.34Å
1962	L	81.8	Confident	71.9	Confident	1 Å²	1	58.3 Å²	58.3	1%	0.005	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	107.5	-167.1	-149.3	137.1	0	0	0	111	V1964 F1993 F2046 Y2048 W2064 I2071 I2078 I2085 Q2089	L1962-V1964 PolarHBondContact O-N 2.77Å; L1962-F1993 HydrophobicContact CB-CE2 4.25Å; L1962-F1993 HydrophobicContact CB-CZ 4.11Å; L1962-F1993 HydrophobicContact CD2-CE2 3.73Å; L1962-F1993 HydrophobicContact CD2-CZ 4Å; L1962-F1993 HydrophobicContact CG-CZ 4.44Å; L1962-F2046 PolarHBondContact N-O 2.83Å; L1962-F2046 PolarHBondContact O-N 3.43Å; L1962-Y2048 HydrophobicContact CB-CD1 4.19Å; L1962-Y2048 HydrophobicContact CB-CE1 3.81Å; L1962-Y2048 HydrophobicContact CD1-CE1 3.46Å; L1962-Y2048 VanDerWaalsContact CD1-CE1 3.46Å; L1962-Y2048 WeakPolarHBondContact CD1-OH 3.31Å; L1962-Y2048 HydrophobicContact CG-CE1 4.21Å; L1962-W2064 HydrophobicContact CD1-CH2 4.32Å; L1962-W2064 HydrophobicContact CD1-CZ3 4.08Å; L1962-I2071 HydrophobicContact CD1-CD1 4.4Å; L1962-I2078 HydrophobicContact CD2-CD1 3.59Å; L1962-I2078 HydrophobicContact CD2-CG1 4.34Å; L1962-I2085 HydrophobicContact CD2-CG2 3.58Å; L1962-Q2089 VanDerWaalsContact CG-NE2 3.27Å
1963	R	83.2	Confident	72	Confident	14 Å²	14	60.6 Å²	60.6	5%	0.053	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	114	179.3	-176.8	161.1	151.2	-99.7	-5.7	112.2	V1965 W2040 D2042 L2044 V2045 I2085 D2086 Q2089	R1963-V1965 HydrophobicContact CG-CG2 4.11Å; R1963-W2040 HydrophobicContact CB-CH2 4.1Å; R1963-W2040 HydrophobicContact CB-CZ3 4Å; R1963-W2040 HydrophobicContact CG-CE3 4.46Å; R1963-W2040 HydrophobicContact CG-CZ3 4.28Å; R1963-W2040 VanDerWaalsContact NH1-CE2 3.29Å; R1963-D2042 VanDerWaalsContact CZ-O 3.22Å; R1963-D2042 PolarHBondContact NE-O 3.36Å; R1963-D2042 PolarHBondContact NH2-O 3.17Å; R1963-L2044 CarbonylContact C-O 3.52Å; R1963-L2044 WeakPolarHBondContact CA-O 2.81Å; R1963-V2045 HydrophobicContact CB-CG2 3.98Å; R1963-V2045 HydrophobicContact CG-CG2 4.09Å; R1963-I2085 WeakPolarHBondContact O-CA 3.34Å; R1963-D2086 IonicContact CZ-OD2 3.51Å; R1963-D2086 IonicContact NH1-OD2 3.52Å; R1963-D2086 PolarHBondContact NH1-OD2 3.46Å; R1963-D2086 IonicContact NH2-OD2 3.43Å; R1963-D2086 PolarHBondContact O-N 3.25Å; R1963-Q2089 PolarHBondContact O-NE2 2.89Å
1964	V	84	Confident	72.6	Confident	0 Å²	0	57.2 Å²	57.2	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	131.5	166.2	-174.1	0	0	0	0	107.6	L1962 L1972 F1993 G2043 L2044 F2046 I2078 L2083 Y2084	L1962-V1964 PolarHBondContact O-N 2.77Å; V1964-L1972 HydrophobicContact CB-CD1 4.37Å; V1964-L1972 HydrophobicContact CG1-CD1 3.67Å; V1964-F1993 HydrophobicContact CG2-CD2 3.97Å; V1964-F1993 HydrophobicContact CG2-CE2 4.07Å; V1964-G2043 CarbonylContact O-C 3.55Å; V1964-G2043 WeakPolarHBondContact O-CA 3.27Å; V1964-L2044 PolarHBondContact N-O 3.21Å; V1964-L2044 PolarHBondContact O-N 2.6Å; V1964-F2046 HydrophobicContact CB-CD2 4.15Å; V1964-F2046 HydrophobicContact CB-CE2 3.82Å; V1964-F2046 HydrophobicContact CG2-CD2 3.58Å; V1964-F2046 HydrophobicContact CG2-CE2 3.55Å; V1964-F2046 HydrophobicContact CG2-CZ 4.45Å; V1964-I2078 HydrophobicContact CG2-CD1 3.75Å; V1964-L2083 HydrophobicContact CG1-CB 3.77Å; V1964-L2083 HydrophobicContact CG1-CD2 4.18Å; V1964-L2083 HydrophobicContact CG1-CG 4.36Å; V1964-Y2084 CarbonylContact C-O 3.49Å; V1964-Y2084 WeakPolarHBondContact CG1-O 3.45Å
1965	V	82.3	Confident	73	Confident	17 Å²	17	49.5 Å²	49.5	10%	0.103	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	-25.9	-173.1	-178	0	0	0	0	112.3	R1963 M1971 L1972 D2042 Y2084 D2086	R1963-V1965 HydrophobicContact CG-CG2 4.11Å; V1965-M1971 HydrophobicContact CG1-CE 3.46Å; V1965-M1971 VanDerWaalsContact CG1-CE 3.46Å; V1965-M1971 HydrophobicContact CG1-SD 4.03Å; V1965-L1972 PolarHBondContact O-N 3.11Å; V1965-D2042 HydrophobicContact CG1-CB 4.48Å; V1965-Y2084 PolarHBondContact N-O 3.3Å; V1965-D2086 HydrophobicContact CG2-CB 3.66Å
1966	R	79.6	Confident	72.7	Confident	85 Å²	85	49.9 Å²	49.9	32%	0.321	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.4	152.4	-175.7	62	-179	-166.9	144.8	18.4	112.2	N1968 T1970 M1971 Y2084	R1966-N1968 VanDerWaalsContact CZ-O 3.24Å; R1966-N1968 PolarHBondContact NE-O 3.17Å; R1966-N1968 PolarHBondContact NH1-O 2.66Å; R1966-T1970 VanDerWaalsContact CA-O 3.23Å; R1966-T1970 WeakPolarHBondContact CA-O 3.37Å; R1966-T1970 WeakPolarHBondContact CB-O 3.21Å; R1966-M1971 HydrophobicContact CB-SD 4.19Å; R1966-Y2084 HydrophobicContact CG-CD2 4.12Å; R1966-Y2084 HydrophobicContact CG-CG 4.29Å; R1966-Y2084 VanDerWaalsContact NH2-CD2 3.29Å; R1966-Y2084 VanDerWaalsContact NH2-CG 3.3Å; R1966-Y2084 PolarHBondContact O-N 2.9Å
1967	R	82.3	Confident	72.8	Confident	61 Å²	61	46.9 Å²	46.9	23%	0.23	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	121	163.6	-176.8	175.6	174.3	-179.8	-0.5	106.7	Q1969 T1970 L1972 E1988 L1992 E2082 L2083	R1967-Q1969 PolarHBondContact O-N 3.41Å; R1967-T1970 PolarHBondContact N-O 2.83Å; R1967-T1970 PolarHBondContact O-N 2.73Å; R1967-T1970 VanDerWaalsContact O-N 3.08Å; R1967-T1970 PolarHBondContact O-OG1 3.06Å; R1967-L1972 HydrophobicContact CB-CD1 4.47Å; R1967-L1972 HydrophobicContact CB-CD2 4.2Å; R1967-L1972 HydrophobicContact CB-CG 4.4Å; R1967-E1988 IonicContact CZ-OE1 3.69Å; R1967-E1988 IonicContact CZ-OE2 2.65Å; R1967-E1988 IonicContact NH1-OE1 2.89Å; R1967-E1988 PolarHBondContact NH1-OE1 3.14Å; R1967-E1988 VanDerWaalsContact NH1-OE1 3.09Å; R1967-E1988 IonicContact NH1-OE2 3.32Å; R1967-E1988 PolarHBondContact NH1-OE2 2.87Å; R1967-E1988 IonicContact NH2-OE1 2.61Å; R1967-E1988 PolarHBondContact NH2-OE1 2.96Å; R1967-E1988 IonicContact NH2-OE2 3.3Å; R1967-L1992 VanDerWaalsContact CZ-CD1 3.47Å; R1967-E2082 CarbonylContact C-O 3.54Å; R1967-E2082 WeakPolarHBondContact CA-O 3.5Å; R1967-E2082 HydrophobicContact CG-CB 3.83Å; R1967-E2082 WeakPolarHBondContact CG-OE2 3.29Å; R1967-E2082 IonicContact CZ-OE2 2.8Å; R1967-E2082 IonicContact NE-OE2 3.9Å; R1967-E2082 PolarHBondContact NE-OE2 3.4Å; R1967-E2082 IonicContact NH2-OE2 3.07Å; R1967-L2083 HydrophobicContact CB-CD2 4.03Å; R1967-L2083 HydrophobicContact CG-CD2 4.11Å
1968	N	77.3	Confident	73	Confident	72 Å²	72	45.9 Å²	45.9	39%	0.385	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.6	-102.3	-168.8	-74	-30.6	0	0	0	113.7	R1966 E2082	R1966-N1968 VanDerWaalsContact CZ-O 3.24Å; R1966-N1968 PolarHBondContact NE-O 3.17Å; R1966-N1968 PolarHBondContact NH1-O 2.66Å; N1968-E2082 PolarHBondContact N-O 2.98Å; N1968-E2082 PolarHBondContact ND2-OE1 2.81Å; N1968-E2082 WeakPolarHBondContact OD1-CB 2.94Å; N1968-E2082 WeakPolarHBondContact OD1-CG 3.02Å
1969	Q	69.1	Low	72.5	Confident	177 Å²	177	45.8 Å²	45.8	83%	0.827	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-113.1	-15.8	-177.4	-58.1	-172.4	19.7	0	0	112.7	R1967	R1967-Q1969 PolarHBondContact O-N 3.41Å
1970	T	68.2	Low	72	Confident	103 Å²	103	46.7 Å²	46.7	63%	0.632	24%	0.24	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-82.9	119.9	176.5	33.9	0	0	0	0	109.9	R1966 R1967 L1972	R1966-T1970 VanDerWaalsContact CA-O 3.23Å; R1966-T1970 WeakPolarHBondContact CA-O 3.37Å; R1966-T1970 WeakPolarHBondContact CB-O 3.21Å; R1967-T1970 PolarHBondContact N-O 2.83Å; R1967-T1970 PolarHBondContact O-N 2.73Å; R1967-T1970 VanDerWaalsContact O-N 3.08Å; R1967-T1970 PolarHBondContact O-OG1 3.06Å; T1970-L1972 PolarHBondContact O-N 2.93Å
1971	M	70	Confident	70.9	Confident	90 Å²	90	48.7 Å²	48.7	44%	0.443	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.5	133.1	169.7	-59.8	-67.4	-83.4	0	0	108.3	V1965 R1966 D2042	V1965-M1971 HydrophobicContact CG1-CE 3.46Å; V1965-M1971 VanDerWaalsContact CG1-CE 3.46Å; V1965-M1971 HydrophobicContact CG1-SD 4.03Å; R1966-M1971 HydrophobicContact CB-SD 4.19Å; M1971-D2042 HydrophobicContact CE-CB 3.7Å; M1971-D2042 WeakPolarHBondContact CE-OD2 3.33Å
1972	L	77.3	Confident	69.8	Low	11 Å²	11	48.6 Å²	48.6	6%	0.058	25%	0.252	C	S	.	.	P	Polyproline II helix	trans	-79.8	133.4	170.8	-68.9	157.5	0	0	0	106.5	V1964 V1965 R1967 T1970 I1989 G2043 L2044 L2083	V1964-L1972 HydrophobicContact CB-CD1 4.37Å; V1964-L1972 HydrophobicContact CG1-CD1 3.67Å; V1965-L1972 PolarHBondContact O-N 3.11Å; R1967-L1972 HydrophobicContact CB-CD1 4.47Å; R1967-L1972 HydrophobicContact CB-CD2 4.2Å; R1967-L1972 HydrophobicContact CB-CG 4.4Å; T1970-L1972 PolarHBondContact O-N 2.93Å; L1972-I1989 HydrophobicContact CD1-CD1 3.66Å; L1972-I1989 HydrophobicContact CD2-CD1 3.63Å; L1972-I1989 HydrophobicContact CG-CD1 4.28Å; L1972-G2043 VanDerWaalsContact O-CA 3.29Å; L1972-G2043 WeakPolarHBondContact O-CA 3.45Å; L1972-G2043 PolarHBondContact O-N 2.81Å; L1972-L2044 HydrophobicContact CB-CD1 4.01Å; L1972-L2044 HydrophobicContact CB-CG 4.06Å; L1972-L2044 HydrophobicContact CD1-CD1 4.22Å; L1972-L2044 HydrophobicContact CD2-CD1 4.11Å; L1972-L2044 HydrophobicContact CG-CD1 4.33Å; L1972-L2083 HydrophobicContact CD1-CD2 4.45Å
1973	I	70.8	Confident	68.8	Low	70 Å²	70	49.9 Å²	49.9	36%	0.359	26%	0.258	S	S	.	.			trans	-117.3	146.6	173.9	-57.6	178.3	0	0	0	106.3	Y1978 E2160	I1973-Y1978 WeakPolarHBondContact O-CE2 3.31Å; I1973-E2160 WeakPolarHBondContact CG2-OE1 3.01Å
1974	W	69.2	Low	67.7	Low	39 Å²	39	52.2 Å²	52.2	15%	0.148	27%	0.274	C	S	.	.			trans	-66.5	143.5	176.4	174.1	-100.8	0	0	0	110.9	Y1978 I2030 P2032 L2044 E2193	W1974-Y1978 WeakPolarHBondContact CZ3-O 3.35Å; W1974-I2030 HydrophobicContact CZ3-CG2 4.18Å; W1974-P2032 HydrophobicContact CB-CB 4.24Å; W1974-P2032 HydrophobicContact CD2-CB 3.69Å; W1974-P2032 HydrophobicContact CD2-CG 3.76Å; W1974-P2032 VanDerWaalsContact CE2-CG 3.47Å; W1974-P2032 HydrophobicContact CE3-CB 4.23Å; W1974-P2032 HydrophobicContact CE3-CG 4.29Å; W1974-P2032 HydrophobicContact CG-CB 3.65Å; W1974-P2032 HydrophobicContact CG-CG 4.11Å; W1974-P2032 HydrophobicContact CH2-CG 4.3Å; W1974-P2032 HydrophobicContact CZ2-CG 3.77Å; W1974-L2044 HydrophobicContact CB-CD2 4.31Å; W1974-L2044 HydrophobicContact CE3-CD2 3.63Å; W1974-L2044 HydrophobicContact CZ3-CD2 4.4Å; W1974-E2193 PolarHBondContact NE1-OE1 3.2Å
1975	S	64	Low	66.8	Low	21 Å²	21	56.8 Å²	56.8	15%	0.147	29%	0.292	C	S	.	.			trans	-148.6	159.3	165.7	60.2	0	0	0	0	107.9	H1977 Y1978	S1975-H1977 PolarHBondContact O-N 3.02Å; S1975-H1977 VanDerWaalsContact O-N 3.09Å; S1975-Y1978 PolarHBondContact O-N 3.2Å; S1975-Y1978 WeakPolarHBondContact OG-CD2 3.32Å
1976	S	54.6	Low	66.5	Low	21 Å²	21	57.1 Å²	57.1	15%	0.147	29%	0.291	C	S	.	.	G	3₁₀ helix	trans	-53.5	-29.8	177.1	47.6	0	0	0	0	113.2	Y1978 G1979 N1980 N2195	S1976-Y1978 VanDerWaalsContact C-N 3.27Å; S1976-Y1978 PolarHBondContact O-N 2.99Å; S1976-G1979 WeakPolarHBondContact O-CA 3.45Å; S1976-G1979 PolarHBondContact O-N 3.26Å; S1976-N1980 PolarHBondContact O-N 3.15Å; S1976-N2195 PolarHBondContact OG-ND2 2.8Å
1977	H	62.3	Low	66.1	Low	41 Å²	41	53.9 Å²	53.9	19%	0.19	28%	0.28	C	S	.	.	G	3₁₀ helix	trans	-62.3	-24.2	172.7	-54.9	-77.7	0	0	0	114.8	S1975 G1979 D1983 R1985	S1975-H1977 PolarHBondContact O-N 3.02Å; S1975-H1977 VanDerWaalsContact O-N 3.09Å; H1977-G1979 VanDerWaalsContact C-N 3.35Å; H1977-D1983 HydrophobicContact CB-CB 4.34Å; H1977-D1983 IonicContact CE1-OD2 2.98Å; H1977-D1983 IonicContact CG-OD2 3.88Å; H1977-D1983 IonicContact ND1-OD2 2.67Å; H1977-D1983 PolarHBondContact ND1-OD2 3.29Å; H1977-D1983 WeakPolarHBondContact O-CB 3.34Å; H1977-R1985 HydrophobicContact CB-CB 4.27Å; H1977-R1985 PolarHBondContact CD2-NH1 2.87Å; H1977-R1985 VanDerWaalsContact CD2-NH1 3.25Å; H1977-R1985 PolarHBondContact CD2-NH2 2.88Å; H1977-R1985 PolarHBondContact CE1-NH2 3.21Å; H1977-R1985 PolarHBondContact ND1-NH2 3.24Å; H1977-R1985 PolarHBondContact NE2-NH2 2.99Å; H1977-R1985 VanDerWaalsContact NE2-NH2 3.11Å
1978	Y	69.7	Low	65.7	Low	34 Å²	34	55.1 Å²	55.1	13%	0.133	29%	0.288	C	S	.	.	G	3₁₀ helix	trans	-89.5	0.5	169.5	-66.3	-61.9	0	0	0	113	I1973 W1974 S1975 S1976 R1985 Y1986 I1989 I2030 L2044	I1973-Y1978 WeakPolarHBondContact O-CE2 3.31Å; W1974-Y1978 WeakPolarHBondContact CZ3-O 3.35Å; S1975-Y1978 PolarHBondContact O-N 3.2Å; S1975-Y1978 WeakPolarHBondContact OG-CD2 3.32Å; S1976-Y1978 VanDerWaalsContact C-N 3.27Å; S1976-Y1978 PolarHBondContact O-N 2.99Å; Y1978-R1985 HydrophobicContact CD1-CB 4.06Å; Y1978-R1985 WeakPolarHBondContact CD1-O 3.49Å; Y1978-R1985 HydrophobicContact CE1-CB 3.71Å; Y1978-R1985 WeakPolarHBondContact CE1-O 3.3Å; Y1978-Y1986 WeakPolarHBondContact O-CD2 3.14Å; Y1978-I1989 HydrophobicContact CD1-CG2 3.91Å; Y1978-I1989 HydrophobicContact CE1-CB 4.35Å; Y1978-I1989 HydrophobicContact CE1-CD1 4.25Å; Y1978-I1989 HydrophobicContact CE1-CG2 3.95Å; Y1978-I2030 WeakPolarHBondContact O-CB 2.96Å; Y1978-L2044 HydrophobicContact CD1-CD1 3.76Å; Y1978-L2044 HydrophobicContact CD2-CD1 3.83Å; Y1978-L2044 HydrophobicContact CD2-CD2 3.66Å; Y1978-L2044 HydrophobicContact CD2-CG 4.38Å; Y1978-L2044 HydrophobicContact CE1-CD1 3.86Å; Y1978-L2044 HydrophobicContact CE2-CD1 3.94Å; Y1978-L2044 HydrophobicContact CE2-CD2 4.36Å; Y1978-L2044 HydrophobicContact CG-CD1 3.75Å; Y1978-L2044 HydrophobicContact CG-CD2 3.83Å; Y1978-L2044 HydrophobicContact CG-CG 4.48Å
1979	G	59.3	Low	65.8	Low	37 Å²	37	51.8 Å²	51.8	38%	0.381	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.3	-21.5	172.7	0	0	0	0	0	114.2	S1976 H1977	S1976-G1979 WeakPolarHBondContact O-CA 3.45Å; S1976-G1979 PolarHBondContact O-N 3.26Å; H1977-G1979 VanDerWaalsContact C-N 3.35Å
1980	N	55.3	Low	66.3	Low	76 Å²	76	44 Å²	44	41%	0.406	24%	0.235	S	C	.	.			trans	-89.5	116.9	177.3	-161.2	19	0	0	0	110	S1976 D1982 D1983 Y1986	S1976-N1980 PolarHBondContact O-N 3.15Å; N1980-D1982 PolarHBondContact O-N 3.24Å; N1980-D1982 PolarHBondContact OD1-OD2 3.2Å; N1980-D1983 HydrophobicContact CB-CB 4.49Å; N1980-D1983 PolarHBondContact O-N 3.3Å; N1980-Y1986 WeakPolarHBondContact O-CB 3Å
1981	P	55.5	Low	66.7	Low	42 Å²	42	43.6 Å²	43.6	27%	0.273	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-22.2	-179.7	-23.8	34.6	0	0	0	114	Y1986 I1987	P1981-Y1986 VanDerWaalsContact CA-CD1 3.47Å; P1981-Y1986 HydrophobicContact CB-CD1 4.28Å; P1981-Y1986 HydrophobicContact CB-CE1 4.02Å; P1981-I1987 WeakPolarHBondContact O-CD1 3.37Å; P1981-I1987 WeakPolarHBondContact O-CG1 3.22Å
1982	D	50.6	Low	67.1	Low	9 Å²	9	40.8 Å²	40.8	5%	0.048	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.9	-10.9	-170.3	-67.2	-25.9	0	0	0	114.3	K1425 F1428 K1444 N1980	K1425-D1982 WeakPolarHBondContact CD-O 3.49Å; F1428-D1982 WeakPolarHBondContact CD1-OD1 3.44Å; F1428-D1982 HydrophobicContact CD2-CB 3.99Å; F1428-D1982 HydrophobicContact CE1-CB 4.01Å; F1428-D1982 HydrophobicContact CE2-CB 3.2Å; F1428-D1982 VanDerWaalsContact CE2-CG 3.46Å; F1428-D1982 HydrophobicContact CZ-CB 3.28Å; K1444-D1982 IonicContact NZ-OD1 3.65Å; K1444-D1982 PolarHBondContact NZ-OD1 3.03Å; K1444-D1982 IonicContact NZ-OD2 2.69Å; K1444-D1982 PolarHBondContact NZ-OD2 3Å; N1980-D1982 PolarHBondContact O-N 3.24Å; N1980-D1982 PolarHBondContact OD1-OD2 3.2Å
1983	D	61	Low	67.5	Low	27 Å²	27	40.3 Å²	40.3	14%	0.144	21%	0.213	C	C	.	.	S	Bend	trans	-92	145.8	-177.3	-168.3	-76	0	0	0	112.7	H1977 N1980 R1985 Y1986 I1987	H1977-D1983 HydrophobicContact CB-CB 4.34Å; H1977-D1983 IonicContact CE1-OD2 2.98Å; H1977-D1983 IonicContact CG-OD2 3.88Å; H1977-D1983 IonicContact ND1-OD2 2.67Å; H1977-D1983 PolarHBondContact ND1-OD2 3.29Å; H1977-D1983 WeakPolarHBondContact O-CB 3.34Å; N1980-D1983 HydrophobicContact CB-CB 4.49Å; N1980-D1983 PolarHBondContact O-N 3.3Å; D1983-R1985 PolarHBondContact O-N 3.37Å; D1983-R1985 VanDerWaalsContact O-N 3.14Å; D1983-R1985 WeakPolarHBondContact OD1-CB 3.39Å; D1983-R1985 PolarHBondContact OD1-N 3.19Å; D1983-R1985 IonicContact OD1-NE 2.61Å; D1983-R1985 PolarHBondContact OD1-NE 3.33Å; D1983-Y1986 PolarHBondContact O-N 2.92Å; D1983-I1987 PolarHBondContact O-N 3.12Å
1984	V	59.4	Low	67.8	Low	63 Å²	63	38.5 Å²	38.5	38%	0.382	20%	0.204	S	C	.	.	H	α-helix	trans	-44.3	-44.6	172.2	-164.5	0	0	0	0	112.4	G1409 K1425 I1987 E1988	G1409-V1984 WeakPolarHBondContact O-CG2 3.35Å; K1425-V1984 VanDerWaalsContact CE-CA 3.43Å; V1984-I1987 PolarHBondContact O-N 3.43Å; V1984-E1988 PolarHBondContact O-N 2.72Å
1985	R	66.2	Low	67.9	Low	97 Å²	97	43 Å²	43	37%	0.366	23%	0.225	S	C	.	.	H	α-helix	trans	-71.2	-31.7	-175.6	-77.7	172.8	-84.6	-169.2	-13.4	113.1	H1977 Y1978 D1983 I1989	H1977-R1985 HydrophobicContact CB-CB 4.27Å; H1977-R1985 PolarHBondContact CD2-NH1 2.87Å; H1977-R1985 VanDerWaalsContact CD2-NH1 3.25Å; H1977-R1985 PolarHBondContact CD2-NH2 2.88Å; H1977-R1985 PolarHBondContact CE1-NH2 3.21Å; H1977-R1985 PolarHBondContact ND1-NH2 3.24Å; H1977-R1985 PolarHBondContact NE2-NH2 2.99Å; H1977-R1985 VanDerWaalsContact NE2-NH2 3.11Å; Y1978-R1985 HydrophobicContact CD1-CB 4.06Å; Y1978-R1985 WeakPolarHBondContact CD1-O 3.49Å; Y1978-R1985 HydrophobicContact CE1-CB 3.71Å; Y1978-R1985 WeakPolarHBondContact CE1-O 3.3Å; D1983-R1985 PolarHBondContact O-N 3.37Å; D1983-R1985 VanDerWaalsContact O-N 3.14Å; D1983-R1985 WeakPolarHBondContact OD1-CB 3.39Å; D1983-R1985 PolarHBondContact OD1-N 3.19Å; D1983-R1985 IonicContact OD1-NE 2.61Å; D1983-R1985 PolarHBondContact OD1-NE 3.33Å; R1985-I1989 WeakPolarHBondContact O-CG2 3.44Å
1986	Y	75.5	Confident	68.3	Low	23 Å²	23	42 Å²	42	9%	0.09	22%	0.218	C	C	.	.	H	α-helix	trans	-66.3	-49.7	173.9	-175.6	-91	0	0	0	110.5	Y1978 N1980 P1981 D1983 I1989 V1990 I2030	Y1978-Y1986 WeakPolarHBondContact O-CD2 3.14Å; N1980-Y1986 WeakPolarHBondContact O-CB 3Å; P1981-Y1986 VanDerWaalsContact CA-CD1 3.47Å; P1981-Y1986 HydrophobicContact CB-CD1 4.28Å; P1981-Y1986 HydrophobicContact CB-CE1 4.02Å; D1983-Y1986 PolarHBondContact O-N 2.92Å; Y1986-I1989 WeakPolarHBondContact O-CG2 3.24Å; Y1986-I1989 PolarHBondContact O-N 2.95Å; Y1986-V1990 HydrophobicContact CD1-CG2 3.83Å; Y1986-V1990 HydrophobicContact CE1-CG2 3.55Å; Y1986-V1990 HydrophobicContact CE2-CG2 4.38Å; Y1986-V1990 HydrophobicContact CG-CG2 4.39Å; Y1986-V1990 WeakPolarHBondContact O-CG2 3.28Å; Y1986-V1990 PolarHBondContact O-N 2.97Å; Y1986-I2030 HydrophobicContact CD2-CB 4.42Å; Y1986-I2030 HydrophobicContact CD2-CD1 3.89Å; Y1986-I2030 HydrophobicContact CD2-CG1 4.22Å; Y1986-I2030 HydrophobicContact CE2-CB 4Å; Y1986-I2030 HydrophobicContact CE2-CD1 3.89Å; Y1986-I2030 HydrophobicContact CE2-CG1 3.73Å
1987	I	71.4	Confident	69	Low	18 Å²	18	41.1 Å²	41.1	9%	0.092	21%	0.212	C	C	.	.	H	α-helix	trans	-76.3	-37.9	-170.9	-72	-178.6	0	0	0	113.1	D1412 K1425 P1981 D1983 V1984 I1989 V1990 N1991	D1412-I1987 VanDerWaalsContact OD2-CG2 3.26Å; D1412-I1987 WeakPolarHBondContact OD2-CG2 3.04Å; K1425-I1987 HydrophobicContact CB-CD1 3.33Å; K1425-I1987 HydrophobicContact CD-CD1 3.89Å; K1425-I1987 HydrophobicContact CG-CD1 3.52Å; P1981-I1987 WeakPolarHBondContact O-CD1 3.37Å; P1981-I1987 WeakPolarHBondContact O-CG1 3.22Å; D1983-I1987 PolarHBondContact O-N 3.12Å; V1984-I1987 PolarHBondContact O-N 3.43Å; I1987-I1989 PolarHBondContact O-N 3.45Å; I1987-V1990 PolarHBondContact O-N 3.31Å; I1987-N1991 WeakPolarHBondContact CG2-ND2 3.19Å; I1987-N1991 VanDerWaalsContact O-CB 3.29Å; I1987-N1991 WeakPolarHBondContact O-CB 2.93Å; I1987-N1991 PolarHBondContact O-N 3.44Å; I1987-N1991 PolarHBondContact O-ND2 3.26Å
1988	E	73	Confident	69.3	Low	86 Å²	86	42 Å²	42	40%	0.402	22%	0.218	S	C	.	.	H	α-helix	trans	-48.9	-47.8	168.2	-101.8	-143.9	114.1	0	0	111.1	R1967 V1984 L1992	R1967-E1988 IonicContact CZ-OE1 3.69Å; R1967-E1988 IonicContact CZ-OE2 2.65Å; R1967-E1988 IonicContact NH1-OE1 2.89Å; R1967-E1988 PolarHBondContact NH1-OE1 3.14Å; R1967-E1988 VanDerWaalsContact NH1-OE1 3.09Å; R1967-E1988 IonicContact NH1-OE2 3.32Å; R1967-E1988 PolarHBondContact NH1-OE2 2.87Å; R1967-E1988 IonicContact NH2-OE1 2.61Å; R1967-E1988 PolarHBondContact NH2-OE1 2.96Å; R1967-E1988 IonicContact NH2-OE2 3.3Å; V1984-E1988 PolarHBondContact O-N 2.72Å; E1988-L1992 PolarHBondContact O-N 3.08Å
1989	I	80	Confident	69	Low	2 Å²	2	45.1 Å²	45.1	1%	0.01	23%	0.234	C	C	.	.	H	α-helix	trans	-85.5	-28.5	-169.8	-144.7	-176.9	0	0	0	113.1	L1972 Y1978 R1985 Y1986 I1987 F1993 I2030 L2044 F2046 L2083	L1972-I1989 HydrophobicContact CD1-CD1 3.66Å; L1972-I1989 HydrophobicContact CD2-CD1 3.63Å; L1972-I1989 HydrophobicContact CG-CD1 4.28Å; Y1978-I1989 HydrophobicContact CD1-CG2 3.91Å; Y1978-I1989 HydrophobicContact CE1-CB 4.35Å; Y1978-I1989 HydrophobicContact CE1-CD1 4.25Å; Y1978-I1989 HydrophobicContact CE1-CG2 3.95Å; R1985-I1989 WeakPolarHBondContact O-CG2 3.44Å; Y1986-I1989 WeakPolarHBondContact O-CG2 3.24Å; Y1986-I1989 PolarHBondContact O-N 2.95Å; I1987-I1989 PolarHBondContact O-N 3.45Å; I1989-F1993 VanDerWaalsContact O-CB 3.28Å; I1989-F1993 WeakPolarHBondContact O-CB 3.47Å; I1989-F1993 PolarHBondContact O-N 3.05Å; I1989-I2030 HydrophobicContact CG2-CD1 3.52Å; I1989-L2044 HydrophobicContact CD1-CD1 3.57Å; I1989-F2046 HydrophobicContact CB-CZ 4.29Å; I1989-F2046 HydrophobicContact CD1-CE2 4.47Å; I1989-F2046 HydrophobicContact CD1-CZ 3.98Å; I1989-F2046 HydrophobicContact CG1-CZ 3.9Å; I1989-F2046 HydrophobicContact CG2-CE1 4.14Å; I1989-F2046 HydrophobicContact CG2-CZ 3.74Å; I1989-L2083 HydrophobicContact CD1-CD2 4.08Å; I1989-L2083 HydrophobicContact CG1-CD1 4.06Å; I1989-L2083 HydrophobicContact CG1-CD2 3.83Å
1990	V	79.3	Confident	69.3	Low	13 Å²	13	43.6 Å²	43.6	8%	0.079	22%	0.217	C	C	.	.	H	α-helix	trans	-63.9	-44.1	165.7	168.2	0	0	0	0	110.8	Y1986 I1987 F1993 N1994 V2027 I2030	Y1986-V1990 HydrophobicContact CD1-CG2 3.83Å; Y1986-V1990 HydrophobicContact CE1-CG2 3.55Å; Y1986-V1990 HydrophobicContact CE2-CG2 4.38Å; Y1986-V1990 HydrophobicContact CG-CG2 4.39Å; Y1986-V1990 WeakPolarHBondContact O-CG2 3.28Å; Y1986-V1990 PolarHBondContact O-N 2.97Å; I1987-V1990 PolarHBondContact O-N 3.31Å; V1990-F1993 PolarHBondContact O-N 3.36Å; V1990-N1994 WeakPolarHBondContact CG1-ND2 3.21Å; V1990-N1994 WeakPolarHBondContact O-CB 3.04Å; V1990-N1994 PolarHBondContact O-N 3Å; V1990-N1994 PolarHBondContact O-ND2 3.12Å; V1990-V2027 HydrophobicContact CG1-CB 4.05Å; V1990-V2027 HydrophobicContact CG1-CG2 4.08Å; V1990-V2027 HydrophobicContact CG2-CB 4.14Å; V1990-V2027 HydrophobicContact CG2-CG1 4.06Å; V1990-V2027 HydrophobicContact CG2-CG2 4.35Å; V1990-I2030 HydrophobicContact CG2-CD1 3.77Å; V1990-I2030 HydrophobicContact CG2-CG1 4.32Å
1991	N	75.7	Confident	69.4	Low	96 Å²	96	40.2 Å²	40.2	51%	0.513	20%	0.199	S	C	.	.	H	α-helix	trans	-65.1	-42.7	178.7	-79.6	-32.5	0	0	0	112.2	I1987 F1993 N1994 K1995	I1987-N1991 WeakPolarHBondContact CG2-ND2 3.19Å; I1987-N1991 VanDerWaalsContact O-CB 3.29Å; I1987-N1991 WeakPolarHBondContact O-CB 2.93Å; I1987-N1991 PolarHBondContact O-N 3.44Å; I1987-N1991 PolarHBondContact O-ND2 3.26Å; N1991-F1993 VanDerWaalsContact C-N 3.34Å; N1991-F1993 PolarHBondContact O-N 2.62Å; N1991-N1994 PolarHBondContact O-N 3.14Å; N1991-K1995 VanDerWaalsContact O-CB 3.3Å; N1991-K1995 WeakPolarHBondContact O-CB 3.41Å; N1991-K1995 PolarHBondContact O-N 3.08Å
1992	L	79.7	Confident	69.1	Low	30 Å²	30	42.1 Å²	42.1	16%	0.157	21%	0.209	C	C	.	.	H	α-helix	trans	-59.2	-42.5	170.4	-86.1	162.1	0	0	0	112.4	R1967 E1988 G1996 L2083	R1967-L1992 VanDerWaalsContact CZ-CD1 3.47Å; E1988-L1992 PolarHBondContact O-N 3.08Å; L1992-G1996 PolarHBondContact O-N 3.46Å; L1992-L2083 HydrophobicContact CB-CD1 3.69Å; L1992-L2083 HydrophobicContact CB-CD2 4.41Å; L1992-L2083 HydrophobicContact CB-CG 3.94Å; L1992-L2083 HydrophobicContact CD1-CD2 4.43Å
1993	F	84.1	Confident	68.6	Low	1 Å²	1	45 Å²	45	0%	0.004	23%	0.228	C	C	.	.	H	α-helix	trans	-65.2	-47.7	178.6	-172.9	-79.4	0	0	0	112.1	L1962 V1964 I1989 V1990 N1991 G1996 A1997 V2027 F2046 Y2048 I2078 L2083	L1962-F1993 HydrophobicContact CB-CE2 4.25Å; L1962-F1993 HydrophobicContact CB-CZ 4.11Å; L1962-F1993 HydrophobicContact CD2-CE2 3.73Å; L1962-F1993 HydrophobicContact CD2-CZ 4Å; L1962-F1993 HydrophobicContact CG-CZ 4.44Å; V1964-F1993 HydrophobicContact CG2-CD2 3.97Å; V1964-F1993 HydrophobicContact CG2-CE2 4.07Å; I1989-F1993 VanDerWaalsContact O-CB 3.28Å; I1989-F1993 WeakPolarHBondContact O-CB 3.47Å; I1989-F1993 PolarHBondContact O-N 3.05Å; V1990-F1993 PolarHBondContact O-N 3.36Å; N1991-F1993 VanDerWaalsContact C-N 3.34Å; N1991-F1993 PolarHBondContact O-N 2.62Å; F1993-G1996 PolarHBondContact O-N 2.84Å; F1993-A1997 HydrophobicContact CD1-CB 4.45Å; F1993-A1997 HydrophobicContact CE1-CB 4.33Å; F1993-A1997 VanDerWaalsContact O-CB 3.24Å; F1993-A1997 WeakPolarHBondContact O-CB 2.9Å; F1993-A1997 PolarHBondContact O-N 2.95Å; F1993-V2027 HydrophobicContact CB-CG2 4.46Å; F1993-V2027 HydrophobicContact CD1-CG2 3.62Å; F1993-V2027 HydrophobicContact CE1-CG2 4.16Å; F1993-V2027 HydrophobicContact CG-CG2 4.19Å; F1993-F2046 HydrophobicContact CB-CD1 3.78Å; F1993-F2046 HydrophobicContact CB-CE1 3.53Å; F1993-F2046 HydrophobicContact CB-CZ 4.25Å; F1993-F2046 HydrophobicContact CD1-CD1 4.15Å; F1993-F2046 HydrophobicContact CD2-CB 3.85Å; F1993-F2046 AromaticContact CD2-CD1 3.32Å; F1993-F2046 HydrophobicContact CD2-CD1 3.32Å; F1993-F2046 AromaticContact CD2-CD2 3.82Å; F1993-F2046 HydrophobicContact CD2-CD2 3.82Å; F1993-F2046 AromaticContact CD2-CE1 3.7Å; F1993-F2046 HydrophobicContact CD2-CE1 3.7Å; F1993-F2046 HydrophobicContact CD2-CE2 4.17Å; F1993-F2046 AromaticContact CD2-CG 3.38Å; F1993-F2046 HydrophobicContact CD2-CG 3.38Å; F1993-F2046 HydrophobicContact CD2-CZ 4.1Å; F1993-F2046 HydrophobicContact CE1-CB 4.43Å; F1993-F2046 HydrophobicContact CE2-CB 3.44Å; F1993-F2046 VanDerWaalsContact CE2-CB 3.44Å; F1993-F2046 AromaticContact CE2-CD1 3.88Å; F1993-F2046 HydrophobicContact CE2-CD1 3.88Å; F1993-F2046 HydrophobicContact CE2-CD2 4Å; F1993-F2046 AromaticContact CE2-CG 3.51Å; F1993-F2046 HydrophobicContact CE2-CG 3.51Å; F1993-F2046 HydrophobicContact CG-CB 4.49Å; F1993-F2046 AromaticContact CG-CD1 3.48Å; F1993-F2046 HydrophobicContact CG-CD1 3.48Å; F1993-F2046 VanDerWaalsContact CG-CD1 3.48Å; F1993-F2046 AromaticContact CG-CE1 3.77Å; F1993-F2046 HydrophobicContact CG-CE1 3.77Å; F1993-F2046 HydrophobicContact CG-CG 4.02Å; F1993-F2046 HydrophobicContact CZ-CB 3.79Å; F1993-F2046 HydrophobicContact CZ-CG 4.27Å; F1993-Y2048 AromaticContact CE1-CD1 3.78Å; F1993-Y2048 HydrophobicContact CE1-CD1 3.78Å; F1993-Y2048 AromaticContact CE1-CD2 3.79Å; F1993-Y2048 HydrophobicContact CE1-CD2 3.79Å; F1993-Y2048 HydrophobicContact CE1-CE1 4.29Å; F1993-Y2048 HydrophobicContact CE1-CE2 4.25Å; F1993-Y2048 AromaticContact CE1-CG 3.53Å; F1993-Y2048 HydrophobicContact CE1-CG 3.53Å; F1993-Y2048 AromaticContact CZ-CD1 3.57Å; F1993-Y2048 HydrophobicContact CZ-CD1 3.57Å; F1993-Y2048 HydrophobicContact CZ-CD2 4.35Å; F1993-Y2048 AromaticContact CZ-CE1 3.88Å; F1993-Y2048 HydrophobicContact CZ-CE1 3.88Å; F1993-Y2048 AromaticContact CZ-CG 3.86Å; F1993-Y2048 HydrophobicContact CZ-CG 3.86Å; F1993-I2078 HydrophobicContact CD2-CD1 3.57Å; F1993-I2078 HydrophobicContact CE2-CD1 3.45Å; F1993-I2078 VanDerWaalsContact CE2-CD1 3.45Å; F1993-I2078 HydrophobicContact CG-CD1 4.49Å; F1993-I2078 HydrophobicContact CZ-CD1 4.27Å; F1993-L2083 HydrophobicContact CB-CD1 3.99Å
1994	N	77.7	Confident	67.2	Low	33 Å²	33	49 Å²	49	18%	0.176	26%	0.257	C	S	.	.	H	α-helix	trans	-63.3	-43.6	179.8	-72.7	-22.6	0	0	0	111.5	V1990 N1991 A1997 L1998	V1990-N1994 WeakPolarHBondContact CG1-ND2 3.21Å; V1990-N1994 WeakPolarHBondContact O-CB 3.04Å; V1990-N1994 PolarHBondContact O-N 3Å; V1990-N1994 PolarHBondContact O-ND2 3.12Å; N1991-N1994 PolarHBondContact O-N 3.14Å; N1994-A1997 PolarHBondContact O-N 3.15Å; N1994-L1998 PolarHBondContact O-N 2.84Å
1995	K	70.9	Confident	66.1	Low	132 Å²	132	51.4 Å²	51.4	57%	0.574	28%	0.277	S	S	*	.	H	α-helix	trans	-59.6	-48	175.5	-176.4	173.5	-178.7	174.7	0	111.7	N1991 L1998 E1999	N1991-K1995 VanDerWaalsContact O-CB 3.3Å; N1991-K1995 WeakPolarHBondContact O-CB 3.41Å; N1991-K1995 PolarHBondContact O-N 3.08Å; K1995-L1998 PolarHBondContact O-N 3.31Å; K1995-E1999 PolarHBondContact O-N 2.91Å; K1995-E1999 VanDerWaalsContact O-N 3.15Å
1996	G	72.6	Confident	64.3	Low	0 Å²	0	55.8 Å²	55.8	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-63.6	-40.8	175.6	0	0	0	0	0	112.9	L1992 F1993 L1998 E1999 V2000 I2078 G2079 T2081	L1992-G1996 PolarHBondContact O-N 3.46Å; F1993-G1996 PolarHBondContact O-N 2.84Å; G1996-L1998 VanDerWaalsContact C-N 3.26Å; G1996-L1998 PolarHBondContact O-N 2.9Å; G1996-E1999 PolarHBondContact O-N 2.91Å; G1996-V2000 WeakPolarHBondContact O-CG2 3.17Å; G1996-V2000 PolarHBondContact O-N 3.43Å; G1996-I2078 WeakPolarHBondContact CA-O 3.15Å; G1996-G2079 WeakPolarHBondContact O-CA 3.24Å; G1996-T2081 VanDerWaalsContact CA-CG2 3.48Å
1997	A	70.9	Confident	62.2	Low	4 Å²	4	61.3 Å²	61.3	3%	0.033	33%	0.334	C	S	.	.	H	α-helix	trans	-66.7	-27.1	178.7	0	0	0	0	0	112.6	F1993 N1994 F2001 P2025 I2078	F1993-A1997 HydrophobicContact CD1-CB 4.45Å; F1993-A1997 HydrophobicContact CE1-CB 4.33Å; F1993-A1997 VanDerWaalsContact O-CB 3.24Å; F1993-A1997 WeakPolarHBondContact O-CB 2.9Å; F1993-A1997 PolarHBondContact O-N 2.95Å; N1994-A1997 PolarHBondContact O-N 3.15Å; A1997-F2001 WeakPolarHBondContact O-CD2 3.13Å; A1997-P2025 HydrophobicContact CB-CB 3.82Å; A1997-P2025 HydrophobicContact CB-CG 3.63Å; A1997-I2078 HydrophobicContact CB-CG2 4.46Å
1998	L	67	Low	60.1	Low	59 Å²	59	68.4 Å²	68.4	31%	0.309	37%	0.367	S	S	.	.	H	α-helix	trans	-70.4	-48	168.5	-86	155.8	0	0	0	112.3	N1994 K1995 G1996 V2000 F2001 V2002 F2022 L2024 P2025	N1994-L1998 PolarHBondContact O-N 2.84Å; K1995-L1998 PolarHBondContact O-N 3.31Å; G1996-L1998 VanDerWaalsContact C-N 3.26Å; G1996-L1998 PolarHBondContact O-N 2.9Å; L1998-V2000 PolarHBondContact O-N 3.4Å; L1998-F2001 PolarHBondContact O-N 3.44Å; L1998-V2002 PolarHBondContact O-N 3.45Å; L1998-F2022 HydrophobicContact CD2-CE1 4.09Å; L1998-L2024 HydrophobicContact CD1-CD2 4.17Å; L1998-L2024 HydrophobicContact CD2-CD2 4.31Å; L1998-P2025 HydrophobicContact CG-CG 4.33Å
1999	E	64.9	Low	58.1	Low	100 Å²	100	71.4 Å²	71.4	47%	0.467	38%	0.384	S	S	.	.	H	α-helix	trans	-61.6	-23.6	175.8	-76.9	-171.6	-134.2	0	0	113.3	K1995 G1996 F2001 G2079	K1995-E1999 PolarHBondContact O-N 2.91Å; K1995-E1999 VanDerWaalsContact O-N 3.15Å; G1996-E1999 PolarHBondContact O-N 2.91Å; E1999-F2001 VanDerWaalsContact C-N 3.28Å; E1999-F2001 PolarHBondContact O-N 2.91Å; E1999-G2079 VanDerWaalsContact CB-O 3.31Å; E1999-G2079 WeakPolarHBondContact CB-O 2.93Å; E1999-G2079 VanDerWaalsContact CD-O 3.3Å
2000	V	64.1	Low	55.5	Low	5 Å²	5	76.6 Å²	76.6	3%	0.03	42%	0.416	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-28.7	172	158.3	0	0	0	0	113.1	G1996 L1998 I2067 S2070 I2071 I2078	G1996-V2000 WeakPolarHBondContact O-CG2 3.17Å; G1996-V2000 PolarHBondContact O-N 3.43Å; L1998-V2000 PolarHBondContact O-N 3.4Å; V2000-I2067 HydrophobicContact CG1-CG2 4.26Å; V2000-S2070 VanDerWaalsContact O-CB 3.31Å; V2000-S2070 WeakPolarHBondContact O-CB 3.3Å; V2000-S2070 PolarHBondContact O-OG 3.1Å; V2000-I2071 HydrophobicContact CG1-CG1 4.33Å; V2000-I2071 HydrophobicContact CG2-CD1 4.23Å; V2000-I2071 HydrophobicContact CG2-CG1 3.51Å; V2000-I2078 HydrophobicContact CG2-CG2 3.94Å
2001	F	58	Low	52.9	Low	4 Å²	4	84.7 Å²	84.7	2%	0.018	45%	0.453	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107	-30.5	-176.7	-79.4	-85.8	0	0	0	114.4	A1997 L1998 E1999 L2018 A2019 F2022 V2063 I2067	A1997-F2001 WeakPolarHBondContact O-CD2 3.13Å; L1998-F2001 PolarHBondContact O-N 3.44Å; E1999-F2001 VanDerWaalsContact C-N 3.28Å; E1999-F2001 PolarHBondContact O-N 2.91Å; F2001-L2018 HydrophobicContact CD1-CB 4.32Å; F2001-L2018 HydrophobicContact CE1-CB 4.14Å; F2001-L2018 HydrophobicContact CE1-CD1 4.46Å; F2001-A2019 VanDerWaalsContact O-CB 3.27Å; F2001-A2019 WeakPolarHBondContact O-CB 3.15Å; F2001-F2022 HydrophobicContact CB-CB 4.34Å; F2001-F2022 HydrophobicContact CB-CD1 3.79Å; F2001-F2022 HydrophobicContact CB-CD2 4.46Å; F2001-F2022 HydrophobicContact CB-CE1 4.15Å; F2001-F2022 HydrophobicContact CB-CG 3.96Å; F2001-F2022 HydrophobicContact CD1-CB 3.82Å; F2001-F2022 HydrophobicContact CD1-CD1 4.46Å; F2001-F2022 AromaticContact CD1-CD2 3.74Å; F2001-F2022 HydrophobicContact CD1-CD2 3.74Å; F2001-F2022 HydrophobicContact CD1-CE2 4.4Å; F2001-F2022 AromaticContact CD1-CG 3.77Å; F2001-F2022 HydrophobicContact CD1-CG 3.77Å; F2001-F2022 HydrophobicContact CD2-CD1 4.07Å; F2001-F2022 AromaticContact CD2-CD2 3.51Å; F2001-F2022 HydrophobicContact CD2-CD2 3.51Å; F2001-F2022 AromaticContact CD2-CE1 3.9Å; F2001-F2022 HydrophobicContact CD2-CE1 3.9Å; F2001-F2022 AromaticContact CD2-CE2 3.31Å; F2001-F2022 HydrophobicContact CD2-CE2 3.31Å; F2001-F2022 AromaticContact CD2-CG 3.88Å; F2001-F2022 HydrophobicContact CD2-CG 3.88Å; F2001-F2022 AromaticContact CD2-CZ 3.51Å; F2001-F2022 HydrophobicContact CD2-CZ 3.51Å; F2001-F2022 HydrophobicContact CE1-CB 4.24Å; F2001-F2022 AromaticContact CE1-CD2 3.65Å; F2001-F2022 HydrophobicContact CE1-CD2 3.65Å; F2001-F2022 HydrophobicContact CE1-CE2 4.27Å; F2001-F2022 HydrophobicContact CE1-CG 4.13Å; F2001-F2022 AromaticContact CE2-CD2 3.42Å; F2001-F2022 HydrophobicContact CE2-CD2 3.42Å; F2001-F2022 VanDerWaalsContact CE2-CD2 3.42Å; F2001-F2022 AromaticContact CE2-CE2 3.14Å; F2001-F2022 HydrophobicContact CE2-CE2 3.14Å; F2001-F2022 HydrophobicContact CE2-CG 4.24Å; F2001-F2022 AromaticContact CE2-CZ 3.79Å; F2001-F2022 HydrophobicContact CE2-CZ 3.79Å; F2001-F2022 HydrophobicContact CG-CB 4.1Å; F2001-F2022 AromaticContact CG-CD1 3.88Å; F2001-F2022 HydrophobicContact CG-CD1 3.88Å; F2001-F2022 AromaticContact CG-CD2 3.66Å; F2001-F2022 HydrophobicContact CG-CD2 3.66Å; F2001-F2022 HydrophobicContact CG-CE1 4.17Å; F2001-F2022 AromaticContact CG-CE2 3.95Å; F2001-F2022 HydrophobicContact CG-CE2 3.95Å; F2001-F2022 AromaticContact CG-CG 3.61Å; F2001-F2022 HydrophobicContact CG-CG 3.61Å; F2001-F2022 HydrophobicContact CG-CZ 4.19Å; F2001-F2022 AromaticContact CZ-CD2 3.47Å; F2001-F2022 HydrophobicContact CZ-CD2 3.47Å; F2001-F2022 VanDerWaalsContact CZ-CD2 3.47Å; F2001-F2022 AromaticContact CZ-CE2 3.65Å; F2001-F2022 HydrophobicContact CZ-CE2 3.65Å; F2001-F2022 HydrophobicContact CZ-CG 4.33Å; F2001-V2063 HydrophobicContact CZ-CG1 4.25Å; F2001-I2067 HydrophobicContact CE1-CG1 4.24Å; F2001-I2067 HydrophobicContact CE2-CD1 4.06Å; F2001-I2067 HydrophobicContact CE2-CG1 3.55Å; F2001-I2067 HydrophobicContact CZ-CD1 3.74Å; F2001-I2067 HydrophobicContact CZ-CG1 3.26Å
2002	V	48.5	Very low	50.7	Low	82 Å²	82	84.9 Å²	84.9	50%	0.497	47%	0.468	S	S	.	.			trans	-101.3	103.1	-171.8	-176	0	0	0	0	111.8	L1998	L1998-V2002 PolarHBondContact O-N 3.45Å
2003	T	40.2	Very low	48.5	Very low	71 Å²	71	88 Å²	88	44%	0.436	49%	0.488	S	S	.	.			trans	-82.7	117.7	170.1	53.1	0	0	0	0	111.5	V2015	T2003-V2015 HydrophobicContact CG2-CG2 4.46Å
2004	S	32.2	Very low	46.2	Very low	110 Å²	110	91 Å²	91	77%	0.769	51%	0.513	S	S	*	.			trans	-68.5	154.9	-163.9	-28.6	0	0	0	0	116.4
2005	S	35.6	Very low	44.3	Very low	113 Å²	113	94.3 Å²	94.3	79%	0.79	53%	0.534	S	S	*	.			trans	-138.1	37.9	159.7	66.4	0	0	0	0	114.9	L2007	S2005-L2007 PolarHBondContact O-N 3.39Å
2006	M	28.3	Very low	43.3	Very low	189 Å²	189	88.3 Å²	88.3	93%	0.931	51%	0.509	S	S	*	.	S	Bend	trans	-86.3	98.6	151.2	-156	171.1	-171.4	0	0	107.7
2007	L	32.6	Very low	42.3	Very low	140 Å²	140	99.2 Å²	99.2	73%	0.733	55%	0.55	S	S	*	.			trans	-73.2	144.7	178	-96.9	76	0	0	0	109.7	S2005	S2005-L2007 PolarHBondContact O-N 3.39Å
2008	Q	26.6	Very low	41.7	Very low	167 Å²	167	99.5 Å²	99.5	78%	0.78	55%	0.551	S	S	*	*			cis	-134.8	162.8	16.9	-54.8	175.2	9.3	0	0	108.6
2009	I	31.4	Very low	41	Very low	149 Å²	149	98 Å²	98	76%	0.764	55%	0.547	S	S	*	.			cis	-144.1	113.4	37.2	-62.9	171.9	0	0	0	112.2
2010	T	25.2	Very low	40.2	Very low	111 Å²	111	99.3 Å²	99.3	68%	0.681	56%	0.557	S	S	*	*			trans	8.4	119.1	151.2	70.1	0	0	0	0	121.5
2011	Q	25.9	Very low	39.8	Very low	182 Å²	182	100.2 Å²	100.2	85%	0.85	56%	0.564	S	S	*	*				161.8	121	104.2	-84.9	-176.4	23.5	0	0	113.7
2012	A	27.7	Very low	39.7	Very low	101 Å²	101	100.7 Å²	100.7	84%	0.835	57%	0.566	S	S	*	*			trans	64.9	150.2	179.6	0	0	0	0	0	114.8
2013	V	34.4	Very low	40.2	Very low	95 Å²	95	99.1 Å²	99.1	58%	0.576	55%	0.554	S	S	*	*			cis	-119.8	177.9	13.2	-162.2	0	0	0	0	111.1	R2073	V2013-R2073 HydrophobicContact CB-CB 4.25Å; V2013-R2073 HydrophobicContact CG1-CB 4.06Å; V2013-R2073 HydrophobicContact CG1-CG 3.81Å; V2013-R2073 HydrophobicContact CG2-CB 4.35Å
2014	A	35.2	Very low	41.3	Very low	64 Å²	64	97.9 Å²	97.9	53%	0.529	55%	0.545	S	S	.	.	P	Polyproline II helix	trans	-76.7	152.9	-164.7	0	0	0	0	0	116.8	R2073	A2014-R2073 PolarHBondContact O-NH1 3.3Å
2015	V	37.4	Very low	43	Very low	102 Å²	102	93 Å²	93	62%	0.618	51%	0.51	S	S	*	.	P	Polyproline II helix	trans	-52.8	142.3	170.5	-172.7	0	0	0	0	112.8	T2003	T2003-V2015 HydrophobicContact CG2-CG2 4.46Å
2016	T	50.3	Low	44.7	Very low	6 Å²	6	93.1 Å²	93.1	4%	0.037	50%	0.497	C	S	.	.	P	Polyproline II helix	trans	-99.5	149.7	165.1	52.9	0	0	0	0	109.7	L2018 E2066	T2016-L2018 PolarHBondContact O-N 2.83Å; T2016-L2018 VanDerWaalsContact O-N 3.13Å; T2016-E2066 WeakPolarHBondContact CA-OE2 3.15Å; T2016-E2066 VanDerWaalsContact CB-OE2 3.31Å; T2016-E2066 WeakPolarHBondContact CB-OE2 3.34Å; T2016-E2066 HydrophobicContact CG2-CB 4.4Å
2017	R	52.2	Low	46.9	Very low	229 Å²	229	84.7 Å²	84.7	86%	0.864	46%	0.455	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.8	3.6	-173.9	-69.9	-168	-172.8	172.4	3.5	115.1	E2066	R2017-E2066 PolarHBondContact N-OE2 3.42Å
2018	L	58.9	Low	48.6	Very low	11 Å²	11	81.3 Å²	81.3	6%	0.058	44%	0.438	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.3	-2.3	-173.7	-58.1	-178.4	0	0	0	113.1	F2001 T2016 D2020 S2021 F2022 M2052 L2058 V2063 E2066	F2001-L2018 HydrophobicContact CD1-CB 4.32Å; F2001-L2018 HydrophobicContact CE1-CB 4.14Å; F2001-L2018 HydrophobicContact CE1-CD1 4.46Å; T2016-L2018 PolarHBondContact O-N 2.83Å; T2016-L2018 VanDerWaalsContact O-N 3.13Å; L2018-D2020 VanDerWaalsContact C-N 3.28Å; L2018-D2020 PolarHBondContact O-N 2.64Å; L2018-S2021 PolarHBondContact O-N 3.46Å; L2018-F2022 PolarHBondContact O-N 2.85Å; L2018-M2052 HydrophobicContact CB-CE 4.06Å; L2018-M2052 HydrophobicContact CD1-CE 4.42Å; L2018-M2052 HydrophobicContact CD2-CE 4.35Å; L2018-L2058 HydrophobicContact CD2-CD2 3.57Å; L2018-V2063 HydrophobicContact CD1-CB 4.32Å; L2018-V2063 HydrophobicContact CD1-CG1 4.4Å; L2018-V2063 HydrophobicContact CD1-CG2 4.24Å; L2018-E2066 HydrophobicContact CD1-CB 3.92Å; L2018-E2066 HydrophobicContact CD1-CG 3.95Å; L2018-E2066 HydrophobicContact CG-CG 4.28Å
2019	A	52.2	Low	50.7	Low	26 Å²	26	74.7 Å²	74.7	22%	0.215	41%	0.411	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.5	-43.5	-178.2	0	0	0	0	0	112.4	F2001 S2021	F2001-A2019 VanDerWaalsContact O-CB 3.27Å; F2001-A2019 WeakPolarHBondContact O-CB 3.15Å; A2019-S2021 VanDerWaalsContact C-N 3.27Å; A2019-S2021 PolarHBondContact O-N 2.93Å
2020	D	48.4	Very low	52.7	Low	129 Å²	129	68 Å²	68	69%	0.69	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.2	-20.2	-178.8	-50.7	-33	0	0	0	112.8	L2018 R2053	L2018-D2020 VanDerWaalsContact C-N 3.28Å; L2018-D2020 PolarHBondContact O-N 2.64Å; D2020-R2053 PolarHBondContact O-NE 3.18Å; D2020-R2053 PolarHBondContact O-NH2 2.83Å
2021	S	55.3	Low	55	Low	24 Å²	24	63.6 Å²	63.6	17%	0.168	35%	0.349	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106	-11	-172.9	-50.5	0	0	0	0	114.3	L2018 A2019 M2052 R2053	L2018-S2021 PolarHBondContact O-N 3.46Å; A2019-S2021 VanDerWaalsContact C-N 3.27Å; A2019-S2021 PolarHBondContact O-N 2.93Å; S2021-M2052 CarbonylContact O-C 3.53Å; S2021-M2052 WeakPolarHBondContact O-CA 3.48Å; S2021-M2052 WeakPolarHBondContact O-CB 3.48Å; S2021-R2053 PolarHBondContact O-N 2.69Å
2022	F	55.5	Low	56.9	Low	14 Å²	14	55.4 Å²	55.4	6%	0.061	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	142.5	177.3	177.7	-88.5	0	0	0	110.5	L1998 F2001 L2018 P2025 V2050 M2052	L1998-F2022 HydrophobicContact CD2-CE1 4.09Å; F2001-F2022 HydrophobicContact CB-CB 4.34Å; F2001-F2022 HydrophobicContact CB-CD1 3.79Å; F2001-F2022 HydrophobicContact CB-CD2 4.46Å; F2001-F2022 HydrophobicContact CB-CE1 4.15Å; F2001-F2022 HydrophobicContact CB-CG 3.96Å; F2001-F2022 HydrophobicContact CD1-CB 3.82Å; F2001-F2022 HydrophobicContact CD1-CD1 4.46Å; F2001-F2022 AromaticContact CD1-CD2 3.74Å; F2001-F2022 HydrophobicContact CD1-CD2 3.74Å; F2001-F2022 HydrophobicContact CD1-CE2 4.4Å; F2001-F2022 AromaticContact CD1-CG 3.77Å; F2001-F2022 HydrophobicContact CD1-CG 3.77Å; F2001-F2022 HydrophobicContact CD2-CD1 4.07Å; F2001-F2022 AromaticContact CD2-CD2 3.51Å; F2001-F2022 HydrophobicContact CD2-CD2 3.51Å; F2001-F2022 AromaticContact CD2-CE1 3.9Å; F2001-F2022 HydrophobicContact CD2-CE1 3.9Å; F2001-F2022 AromaticContact CD2-CE2 3.31Å; F2001-F2022 HydrophobicContact CD2-CE2 3.31Å; F2001-F2022 AromaticContact CD2-CG 3.88Å; F2001-F2022 HydrophobicContact CD2-CG 3.88Å; F2001-F2022 AromaticContact CD2-CZ 3.51Å; F2001-F2022 HydrophobicContact CD2-CZ 3.51Å; F2001-F2022 HydrophobicContact CE1-CB 4.24Å; F2001-F2022 AromaticContact CE1-CD2 3.65Å; F2001-F2022 HydrophobicContact CE1-CD2 3.65Å; F2001-F2022 HydrophobicContact CE1-CE2 4.27Å; F2001-F2022 HydrophobicContact CE1-CG 4.13Å; F2001-F2022 AromaticContact CE2-CD2 3.42Å; F2001-F2022 HydrophobicContact CE2-CD2 3.42Å; F2001-F2022 VanDerWaalsContact CE2-CD2 3.42Å; F2001-F2022 AromaticContact CE2-CE2 3.14Å; F2001-F2022 HydrophobicContact CE2-CE2 3.14Å; F2001-F2022 HydrophobicContact CE2-CG 4.24Å; F2001-F2022 AromaticContact CE2-CZ 3.79Å; F2001-F2022 HydrophobicContact CE2-CZ 3.79Å; F2001-F2022 HydrophobicContact CG-CB 4.1Å; F2001-F2022 AromaticContact CG-CD1 3.88Å; F2001-F2022 HydrophobicContact CG-CD1 3.88Å; F2001-F2022 AromaticContact CG-CD2 3.66Å; F2001-F2022 HydrophobicContact CG-CD2 3.66Å; F2001-F2022 HydrophobicContact CG-CE1 4.17Å; F2001-F2022 AromaticContact CG-CE2 3.95Å; F2001-F2022 HydrophobicContact CG-CE2 3.95Å; F2001-F2022 AromaticContact CG-CG 3.61Å; F2001-F2022 HydrophobicContact CG-CG 3.61Å; F2001-F2022 HydrophobicContact CG-CZ 4.19Å; F2001-F2022 AromaticContact CZ-CD2 3.47Å; F2001-F2022 HydrophobicContact CZ-CD2 3.47Å; F2001-F2022 VanDerWaalsContact CZ-CD2 3.47Å; F2001-F2022 AromaticContact CZ-CE2 3.65Å; F2001-F2022 HydrophobicContact CZ-CE2 3.65Å; F2001-F2022 HydrophobicContact CZ-CG 4.33Å; L2018-F2022 PolarHBondContact O-N 2.85Å; F2022-P2025 HydrophobicContact CZ-CB 4.24Å; F2022-P2025 HydrophobicContact CZ-CG 4.14Å; F2022-V2050 HydrophobicContact CD2-CG1 3.55Å; F2022-V2050 HydrophobicContact CE2-CB 4.22Å; F2022-V2050 HydrophobicContact CE2-CG1 3.47Å; F2022-V2050 VanDerWaalsContact CE2-CG1 3.47Å; F2022-V2050 HydrophobicContact CE2-CG2 3.94Å; F2022-M2052 HydrophobicContact CB-CE 4.4Å
2023	I	58	Low	58.6	Low	49 Å²	49	50.6 Å²	50.6	25%	0.251	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	-76.5	175.7	-59.9	88.2	0	0	0	110.3	V1944 F2051 R2053	V1944-I2023 HydrophobicContact CB-CD1 4.03Å; V1944-I2023 HydrophobicContact CB-CG1 3.92Å; V1944-I2023 HydrophobicContact CG1-CB 4Å; V1944-I2023 HydrophobicContact CG1-CD1 3.8Å; V1944-I2023 HydrophobicContact CG1-CG1 3.64Å; V1944-I2023 HydrophobicContact CG1-CG2 3.95Å; V1944-I2023 HydrophobicContact CG2-CD1 3.92Å; V1944-I2023 HydrophobicContact CG2-CG1 4.36Å; I2023-F2051 PolarHBondContact N-O 2.83Å; I2023-R2053 HydrophobicContact CD1-CG 3.72Å; I2023-R2053 VanDerWaalsContact CD1-N 3.32Å
2024	L	63.9	Low	59.8	Low	45 Å²	45	50.9 Å²	50.9	24%	0.236	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	145.9	-173.7	-77.6	167.9	0	0	0	112.2	L1998 F2051	L1998-L2024 HydrophobicContact CD1-CD2 4.17Å; L1998-L2024 HydrophobicContact CD2-CD2 4.31Å; L2024-F2051 PolarHBondContact O-N 2.83Å; L2024-F2051 VanDerWaalsContact O-N 3.11Å
2025	P	67.7	Low	60.9	Low	8 Å²	8	51.2 Å²	51.2	5%	0.052	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	137.6	160.1	34	-25.5	0	0	0	110.3	A1997 L1998 F2022 Y2048 T2049	A1997-P2025 HydrophobicContact CB-CB 3.82Å; A1997-P2025 HydrophobicContact CB-CG 3.63Å; L1998-P2025 HydrophobicContact CG-CG 4.33Å; F2022-P2025 HydrophobicContact CZ-CB 4.24Å; F2022-P2025 HydrophobicContact CZ-CG 4.14Å; P2025-Y2048 HydrophobicContact CB-CD2 4.03Å; P2025-Y2048 HydrophobicContact CB-CE2 4.46Å; P2025-T2049 CarbonylContact C-O 3.3Å; P2025-T2049 WeakPolarHBondContact CA-O 3.47Å
2026	K	71.2	Confident	61.7	Low	115 Å²	115	46.8 Å²	46.8	50%	0.5	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	122.4	166.6	177.8	166	-178.5	163.5	0	109.7	N2028 Y2048 T2049 F2051	K2026-N2028 PolarHBondContact O-N 2.71Å; K2026-N2028 PolarHBondContact O-OD1 2.9Å; K2026-Y2048 CarbonylContact O-C 3.54Å; K2026-Y2048 VanDerWaalsContact O-CA 3.23Å; K2026-Y2048 WeakPolarHBondContact O-CA 3.24Å; K2026-Y2048 WeakPolarHBondContact O-CB 3.26Å; K2026-T2049 PolarHBondContact N-O 2.84Å; K2026-T2049 PolarHBondContact O-N 3.12Å; K2026-F2051 HydrophobicContact CB-CE2 4.18Å
2027	V	74.5	Confident	61.7	Low	11 Å²	11	49 Å²	49	7%	0.067	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	126.6	167.9	-179.2	0	0	0	0	108.5	V1990 F1993 I2030 F2046	V1990-V2027 HydrophobicContact CG1-CB 4.05Å; V1990-V2027 HydrophobicContact CG1-CG2 4.08Å; V1990-V2027 HydrophobicContact CG2-CB 4.14Å; V1990-V2027 HydrophobicContact CG2-CG1 4.06Å; V1990-V2027 HydrophobicContact CG2-CG2 4.35Å; F1993-V2027 HydrophobicContact CB-CG2 4.46Å; F1993-V2027 HydrophobicContact CD1-CG2 3.62Å; F1993-V2027 HydrophobicContact CE1-CG2 4.16Å; F1993-V2027 HydrophobicContact CG-CG2 4.19Å; V2027-I2030 HydrophobicContact CG1-CG1 4.11Å; V2027-F2046 HydrophobicContact CG1-CD1 4.09Å; V2027-F2046 HydrophobicContact CG2-CD1 3.91Å
2028	N	68.5	Low	61.6	Low	70 Å²	70	43.2 Å²	43.2	37%	0.374	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	-37.6	176.8	-50.2	-35.6	0	0	0	110.9	K2026 N2047 T2049	K2026-N2028 PolarHBondContact O-N 2.71Å; K2026-N2028 PolarHBondContact O-OD1 2.9Å; N2028-N2047 WeakPolarHBondContact CB-O 3.49Å; N2028-N2047 PolarHBondContact N-O 2.84Å; N2028-T2049 VanDerWaalsContact CG-OG1 3.24Å; N2028-T2049 PolarHBondContact ND2-OG1 2.94Å; N2028-T2049 PolarHBondContact OD1-OG1 3.23Å
2029	S	71.3	Confident	61.2	Low	28 Å²	28	46.8 Å²	46.8	20%	0.196	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.9	155.9	176.8	57.1	0	0	0	0	111.2	N2047	S2029-N2047 PolarHBondContact N-O 3.3Å; S2029-N2047 PolarHBondContact O-N 3.31Å
2030	I	74	Confident	61.8	Low	7 Å²	7	46.9 Å²	46.9	4%	0.036	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	141.4	162.8	-52.3	176.3	0	0	0	107.3	W1974 Y1978 Y1986 I1989 V1990 V2027 L2044 V2045 F2046	W1974-I2030 HydrophobicContact CZ3-CG2 4.18Å; Y1978-I2030 WeakPolarHBondContact O-CB 2.96Å; Y1986-I2030 HydrophobicContact CD2-CB 4.42Å; Y1986-I2030 HydrophobicContact CD2-CD1 3.89Å; Y1986-I2030 HydrophobicContact CD2-CG1 4.22Å; Y1986-I2030 HydrophobicContact CE2-CB 4Å; Y1986-I2030 HydrophobicContact CE2-CD1 3.89Å; Y1986-I2030 HydrophobicContact CE2-CG1 3.73Å; I1989-I2030 HydrophobicContact CG2-CD1 3.52Å; V1990-I2030 HydrophobicContact CG2-CD1 3.77Å; V1990-I2030 HydrophobicContact CG2-CG1 4.32Å; V2027-I2030 HydrophobicContact CG1-CG1 4.11Å; I2030-L2044 HydrophobicContact CG2-CB 3.83Å; I2030-L2044 HydrophobicContact CG2-CD2 4.4Å; I2030-V2045 CarbonylContact C-O 3.1Å; I2030-V2045 WeakPolarHBondContact CA-O 3.24Å; I2030-F2046 HydrophobicContact CD1-CD1 3.89Å; I2030-F2046 HydrophobicContact CD1-CE1 3.39Å; I2030-F2046 HydrophobicContact CD1-CE2 4.41Å; I2030-F2046 HydrophobicContact CD1-CZ 3.69Å; I2030-F2046 HydrophobicContact CG1-CD1 3.76Å; I2030-F2046 HydrophobicContact CG1-CE1 3.83Å; I2030-F2046 HydrophobicContact CG1-CG 4.21Å; I2030-F2046 HydrophobicContact CG1-CZ 4.31Å; I2030-F2046 HydrophobicContact CG2-CE2 4.49Å
2031	T	71.9	Confident	62.3	Low	20 Å²	20	44.3 Å²	44.3	12%	0.123	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	157.8	-176.5	52.2	0	0	0	0	112.1	H2036 V2045	T2031-H2036 PolarHBondContact OG1-CD2 3.26Å; T2031-H2036 VanDerWaalsContact OG1-CD2 3.29Å; T2031-H2036 PolarHBondContact OG1-NE2 2.99Å; T2031-V2045 PolarHBondContact N-O 2.98Å; T2031-V2045 PolarHBondContact O-N 3.1Å; T2031-V2045 PolarHBondContact OG1-O 2.88Å
2032	P	66.1	Low	62.7	Low	9 Å²	9	45.5 Å²	45.5	6%	0.058	25%	0.248	C	C	.	.			trans	-59.8	139.8	177.1	-6.3	11.3	0	0	0	110.7	W1974 R2034 L2035	W1974-P2032 HydrophobicContact CB-CB 4.24Å; W1974-P2032 HydrophobicContact CD2-CB 3.69Å; W1974-P2032 HydrophobicContact CD2-CG 3.76Å; W1974-P2032 VanDerWaalsContact CE2-CG 3.47Å; W1974-P2032 HydrophobicContact CE3-CB 4.23Å; W1974-P2032 HydrophobicContact CE3-CG 4.29Å; W1974-P2032 HydrophobicContact CG-CB 3.65Å; W1974-P2032 HydrophobicContact CG-CG 4.11Å; W1974-P2032 HydrophobicContact CH2-CG 4.3Å; W1974-P2032 HydrophobicContact CZ2-CG 3.77Å; P2032-R2034 VanDerWaalsContact C-N 3.25Å; P2032-R2034 PolarHBondContact O-N 3.12Å; P2032-L2035 HydrophobicContact CB-CB 4.05Å; P2032-L2035 HydrophobicContact CG-CB 3.9Å; P2032-L2035 HydrophobicContact CG-CD1 3.94Å; P2032-L2035 VanDerWaalsContact O-CB 3.27Å; P2032-L2035 WeakPolarHBondContact O-CB 3.12Å; P2032-L2035 PolarHBondContact O-N 2.55Å
2033	P	63.8	Low	63.6	Low	0 Å²	0	44.9 Å²	44.9	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-64.1	-36	177.8	31	-36.8	0	0	0	111	L2035 H2036 N2037 W2040 G2043 V2045	P2033-L2035 PolarHBondContact O-N 3.27Å; P2033-H2036 PolarHBondContact O-N 2.93Å; P2033-H2036 VanDerWaalsContact O-N 3.11Å; P2033-N2037 PolarHBondContact O-N 3.47Å; P2033-W2040 HydrophobicContact CB-CB 3.81Å; P2033-W2040 HydrophobicContact CB-CE3 4.33Å; P2033-W2040 WeakPolarHBondContact CG-O 3.07Å; P2033-G2043 WeakPolarHBondContact CD-O 3.33Å; P2033-G2043 WeakPolarHBondContact CG-O 3.37Å; P2033-V2045 HydrophobicContact CB-CG2 4.3Å
2034	R	60.1	Low	64.8	Low	102 Å²	102	42.5 Å²	42.5	39%	0.385	23%	0.233	S	C	.	.	H	α-helix	trans	-57	-27.5	172.6	-58.6	-176.1	-167.3	-176.5	6.1	112.9	P2032 N2037 S2038 W2040 E2160	P2032-R2034 VanDerWaalsContact C-N 3.25Å; P2032-R2034 PolarHBondContact O-N 3.12Å; R2034-N2037 WeakPolarHBondContact CA-O 3.47Å; R2034-N2037 CarbonylContact O-C 3.11Å; R2034-S2038 PolarHBondContact O-N 2.87Å; R2034-W2040 VanDerWaalsContact CG-O 3.26Å; R2034-W2040 WeakPolarHBondContact CG-O 3.5Å; R2034-W2040 PolarHBondContact N-O 3.38Å; R2034-E2160 IonicContact NH2-OE2 2.67Å; R2034-E2160 PolarHBondContact NH2-OE2 2.89Å
2035	L	58	Low	65.6	Low	70 Å²	70	40.5 Å²	40.5	37%	0.366	22%	0.223	S	C	.	.	H	α-helix	trans	-78.8	-23.5	-179.3	-158.7	144.5	0	0	0	112.7	P2032 P2033	P2032-L2035 HydrophobicContact CB-CB 4.05Å; P2032-L2035 HydrophobicContact CG-CB 3.9Å; P2032-L2035 HydrophobicContact CG-CD1 3.94Å; P2032-L2035 VanDerWaalsContact O-CB 3.27Å; P2032-L2035 WeakPolarHBondContact O-CB 3.12Å; P2032-L2035 PolarHBondContact O-N 2.55Å; P2033-L2035 PolarHBondContact O-N 3.27Å
2036	H	53.2	Low	66.3	Low	9 Å²	9	40.1 Å²	40.1	4%	0.042	22%	0.22	C	C	.	.	H	α-helix	trans	-95.8	-24.9	170.8	-83.8	-82.2	0	0	0	114	T2031 P2033 W2040 V2045 L2115 Y2120	T2031-H2036 PolarHBondContact OG1-CD2 3.26Å; T2031-H2036 VanDerWaalsContact OG1-CD2 3.29Å; T2031-H2036 PolarHBondContact OG1-NE2 2.99Å; P2033-H2036 PolarHBondContact O-N 2.93Å; P2033-H2036 VanDerWaalsContact O-N 3.11Å; H2036-W2040 HydrophobicContact CB-CE3 4.33Å; H2036-W2040 HydrophobicContact CB-CZ3 4.08Å; H2036-V2045 HydrophobicContact CB-CG2 4.29Å; H2036-V2045 VanDerWaalsContact CD2-CG1 3.49Å; H2036-V2045 WeakPolarHBondContact CD2-CG1 3.45Å; H2036-L2115 VanDerWaalsContact O-CD2 3.26Å; H2036-L2115 WeakPolarHBondContact O-CD2 3.15Å; H2036-Y2120 AromaticContact NE2-CE1 3.95Å
2037	N	51.6	Low	66.6	Low	53 Å²	53	35 Å²	35	28%	0.283	20%	0.199	S	C	.	.			trans	-163.8	117.4	172.2	176.9	-6.6	0	0	0	109.2	P2033 R2034 S2039 W2040	P2033-N2037 PolarHBondContact O-N 3.47Å; R2034-N2037 WeakPolarHBondContact CA-O 3.47Å; R2034-N2037 CarbonylContact O-C 3.11Å; N2037-S2039 PolarHBondContact ND2-OG 2.87Å; N2037-S2039 VanDerWaalsContact ND2-OG 3.13Å; N2037-S2039 PolarHBondContact O-N 3.08Å; N2037-S2039 PolarHBondContact OD1-N 2.72Å; N2037-S2039 PolarHBondContact OD1-OG 3.49Å; N2037-W2040 HydrophobicContact CB-CD2 3.68Å; N2037-W2040 HydrophobicContact CB-CE3 3.9Å; N2037-W2040 HydrophobicContact CB-CG 3.93Å; N2037-W2040 PolarHBondContact ND2-NE1 3.17Å; N2037-W2040 WeakPolarHBondContact O-CB 3.27Å; N2037-W2040 PolarHBondContact O-N 2.84Å
2038	S	50	Low	66.8	Low	108 Å²	108	34.8 Å²	34.8	76%	0.755	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-19.1	-177	54.6	0	0	0	0	115	R2034 W2040	R2034-S2038 PolarHBondContact O-N 2.87Å; S2038-W2040 VanDerWaalsContact C-N 3.28Å; S2038-W2040 PolarHBondContact O-N 2.73Å
2039	S	50.5	Low	67	Low	86 Å²	86	32.3 Å²	32.3	60%	0.601	18%	0.184	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.9	-8.5	173.2	65.1	0	0	0	0	114.3	N2037 V2041	N2037-S2039 PolarHBondContact ND2-OG 2.87Å; N2037-S2039 VanDerWaalsContact ND2-OG 3.13Å; N2037-S2039 PolarHBondContact O-N 3.08Å; N2037-S2039 PolarHBondContact OD1-N 2.72Å; N2037-S2039 PolarHBondContact OD1-OG 3.49Å; S2039-V2041 PolarHBondContact O-N 3.23Å
2040	W	64.8	Low	67.1	Low	27 Å²	27	31 Å²	31	10%	0.102	17%	0.174	C	C	.	.			trans	-91.4	88.2	176.6	-64	-13.8	0	0	0	110.5	R1963 P2033 R2034 H2036 N2037 S2038 V2045 L2090	R1963-W2040 HydrophobicContact CB-CH2 4.1Å; R1963-W2040 HydrophobicContact CB-CZ3 4Å; R1963-W2040 HydrophobicContact CG-CE3 4.46Å; R1963-W2040 HydrophobicContact CG-CZ3 4.28Å; R1963-W2040 VanDerWaalsContact NH1-CE2 3.29Å; P2033-W2040 HydrophobicContact CB-CB 3.81Å; P2033-W2040 HydrophobicContact CB-CE3 4.33Å; P2033-W2040 WeakPolarHBondContact CG-O 3.07Å; R2034-W2040 VanDerWaalsContact CG-O 3.26Å; R2034-W2040 WeakPolarHBondContact CG-O 3.5Å; R2034-W2040 PolarHBondContact N-O 3.38Å; H2036-W2040 HydrophobicContact CB-CE3 4.33Å; H2036-W2040 HydrophobicContact CB-CZ3 4.08Å; N2037-W2040 HydrophobicContact CB-CD2 3.68Å; N2037-W2040 HydrophobicContact CB-CE3 3.9Å; N2037-W2040 HydrophobicContact CB-CG 3.93Å; N2037-W2040 PolarHBondContact ND2-NE1 3.17Å; N2037-W2040 WeakPolarHBondContact O-CB 3.27Å; N2037-W2040 PolarHBondContact O-N 2.84Å; S2038-W2040 VanDerWaalsContact C-N 3.28Å; S2038-W2040 PolarHBondContact O-N 2.73Å; W2040-V2045 HydrophobicContact CE3-CG2 4.37Å; W2040-V2045 HydrophobicContact CZ3-CG2 4.05Å; W2040-L2090 HydrophobicContact CH2-CD1 3.36Å; W2040-L2090 HydrophobicContact CH2-CG 3.61Å; W2040-L2090 HydrophobicContact CZ2-CD1 4.15Å; W2040-L2090 HydrophobicContact CZ2-CG 4.06Å; W2040-L2090 HydrophobicContact CZ3-CD1 3.85Å
2041	V	58.1	Low	66.8	Low	76 Å²	76	32.7 Å²	32.7	46%	0.461	18%	0.182	S	C	.	.			trans	-64.7	-45	173.1	-72.7	0	0	0	0	111.9	S2039	S2039-V2041 PolarHBondContact O-N 3.23Å
2042	D	64.4	Low	66.5	Low	49 Å²	49	31.8 Å²	31.8	26%	0.262	18%	0.176	S	C	.	.	S	Bend	trans	-102.6	152.6	-175.6	-40.4	-50.8	0	0	0	113.1	R1963 V1965 M1971	R1963-D2042 VanDerWaalsContact CZ-O 3.22Å; R1963-D2042 PolarHBondContact NE-O 3.36Å; R1963-D2042 PolarHBondContact NH2-O 3.17Å; V1965-D2042 HydrophobicContact CG1-CB 4.48Å; M1971-D2042 HydrophobicContact CE-CB 3.7Å; M1971-D2042 WeakPolarHBondContact CE-OD2 3.33Å
2043	G	75.1	Confident	66.2	Low	0 Å²	0	34.8 Å²	34.8	0%	0	19%	0.186	C	C	.	.			trans	111.1	-174.3	172.3	0	0	0	0	0	114	V1964 L1972 P2033	V1964-G2043 CarbonylContact O-C 3.55Å; V1964-G2043 WeakPolarHBondContact O-CA 3.27Å; L1972-G2043 VanDerWaalsContact O-CA 3.29Å; L1972-G2043 WeakPolarHBondContact O-CA 3.45Å; L1972-G2043 PolarHBondContact O-N 2.81Å; P2033-G2043 WeakPolarHBondContact CD-O 3.33Å; P2033-G2043 WeakPolarHBondContact CG-O 3.37Å
2044	L	82.7	Confident	65.8	Low	0 Å²	0	37.5 Å²	37.5	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	135	178.9	-63.3	173.1	0	0	0	107.6	R1963 V1964 L1972 W1974 Y1978 I1989 I2030 F2046	R1963-L2044 CarbonylContact C-O 3.52Å; R1963-L2044 WeakPolarHBondContact CA-O 2.81Å; V1964-L2044 PolarHBondContact N-O 3.21Å; V1964-L2044 PolarHBondContact O-N 2.6Å; L1972-L2044 HydrophobicContact CB-CD1 4.01Å; L1972-L2044 HydrophobicContact CB-CG 4.06Å; L1972-L2044 HydrophobicContact CD1-CD1 4.22Å; L1972-L2044 HydrophobicContact CD2-CD1 4.11Å; L1972-L2044 HydrophobicContact CG-CD1 4.33Å; W1974-L2044 HydrophobicContact CB-CD2 4.31Å; W1974-L2044 HydrophobicContact CE3-CD2 3.63Å; W1974-L2044 HydrophobicContact CZ3-CD2 4.4Å; Y1978-L2044 HydrophobicContact CD1-CD1 3.76Å; Y1978-L2044 HydrophobicContact CD2-CD1 3.83Å; Y1978-L2044 HydrophobicContact CD2-CD2 3.66Å; Y1978-L2044 HydrophobicContact CD2-CG 4.38Å; Y1978-L2044 HydrophobicContact CE1-CD1 3.86Å; Y1978-L2044 HydrophobicContact CE2-CD1 3.94Å; Y1978-L2044 HydrophobicContact CE2-CD2 4.36Å; Y1978-L2044 HydrophobicContact CG-CD1 3.75Å; Y1978-L2044 HydrophobicContact CG-CD2 3.83Å; Y1978-L2044 HydrophobicContact CG-CG 4.48Å; I1989-L2044 HydrophobicContact CD1-CD1 3.57Å; I2030-L2044 HydrophobicContact CG2-CB 3.83Å; I2030-L2044 HydrophobicContact CG2-CD2 4.4Å; L2044-F2046 HydrophobicContact CB-CD2 4.46Å; L2044-F2046 HydrophobicContact CB-CE2 3.95Å
2045	V	81.1	Confident	65.6	Low	3 Å²	3	37.7 Å²	37.7	2%	0.018	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	107.7	-178.6	-173.6	0	0	0	0	110.1	P1961 R1963 I2030 T2031 P2033 H2036 W2040	P1961-V2045 HydrophobicContact CB-CG1 4.35Å; R1963-V2045 HydrophobicContact CB-CG2 3.98Å; R1963-V2045 HydrophobicContact CG-CG2 4.09Å; I2030-V2045 CarbonylContact C-O 3.1Å; I2030-V2045 WeakPolarHBondContact CA-O 3.24Å; T2031-V2045 PolarHBondContact N-O 2.98Å; T2031-V2045 PolarHBondContact O-N 3.1Å; T2031-V2045 PolarHBondContact OG1-O 2.88Å; P2033-V2045 HydrophobicContact CB-CG2 4.3Å; H2036-V2045 HydrophobicContact CB-CG2 4.29Å; H2036-V2045 VanDerWaalsContact CD2-CG1 3.49Å; H2036-V2045 WeakPolarHBondContact CD2-CG1 3.45Å; W2040-V2045 HydrophobicContact CE3-CG2 4.37Å; W2040-V2045 HydrophobicContact CZ3-CG2 4.05Å
2046	F	82.5	Confident	65	Low	0 Å²	0	40.6 Å²	40.6	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	117.8	176.8	-68.6	-109.3	0	0	0	109	P1961 L1962 V1964 I1989 F1993 V2027 I2030 L2044	P1961-F2046 CarbonylContact C-O 3.25Å; P1961-F2046 WeakPolarHBondContact CA-O 3.41Å; L1962-F2046 PolarHBondContact N-O 2.83Å; L1962-F2046 PolarHBondContact O-N 3.43Å; V1964-F2046 HydrophobicContact CB-CD2 4.15Å; V1964-F2046 HydrophobicContact CB-CE2 3.82Å; V1964-F2046 HydrophobicContact CG2-CD2 3.58Å; V1964-F2046 HydrophobicContact CG2-CE2 3.55Å; V1964-F2046 HydrophobicContact CG2-CZ 4.45Å; I1989-F2046 HydrophobicContact CB-CZ 4.29Å; I1989-F2046 HydrophobicContact CD1-CE2 4.47Å; I1989-F2046 HydrophobicContact CD1-CZ 3.98Å; I1989-F2046 HydrophobicContact CG1-CZ 3.9Å; I1989-F2046 HydrophobicContact CG2-CE1 4.14Å; I1989-F2046 HydrophobicContact CG2-CZ 3.74Å; F1993-F2046 HydrophobicContact CB-CD1 3.78Å; F1993-F2046 HydrophobicContact CB-CE1 3.53Å; F1993-F2046 HydrophobicContact CB-CZ 4.25Å; F1993-F2046 HydrophobicContact CD1-CD1 4.15Å; F1993-F2046 HydrophobicContact CD2-CB 3.85Å; F1993-F2046 AromaticContact CD2-CD1 3.32Å; F1993-F2046 HydrophobicContact CD2-CD1 3.32Å; F1993-F2046 AromaticContact CD2-CD2 3.82Å; F1993-F2046 HydrophobicContact CD2-CD2 3.82Å; F1993-F2046 AromaticContact CD2-CE1 3.7Å; F1993-F2046 HydrophobicContact CD2-CE1 3.7Å; F1993-F2046 HydrophobicContact CD2-CE2 4.17Å; F1993-F2046 AromaticContact CD2-CG 3.38Å; F1993-F2046 HydrophobicContact CD2-CG 3.38Å; F1993-F2046 HydrophobicContact CD2-CZ 4.1Å; F1993-F2046 HydrophobicContact CE1-CB 4.43Å; F1993-F2046 HydrophobicContact CE2-CB 3.44Å; F1993-F2046 VanDerWaalsContact CE2-CB 3.44Å; F1993-F2046 AromaticContact CE2-CD1 3.88Å; F1993-F2046 HydrophobicContact CE2-CD1 3.88Å; F1993-F2046 HydrophobicContact CE2-CD2 4Å; F1993-F2046 AromaticContact CE2-CG 3.51Å; F1993-F2046 HydrophobicContact CE2-CG 3.51Å; F1993-F2046 HydrophobicContact CG-CB 4.49Å; F1993-F2046 AromaticContact CG-CD1 3.48Å; F1993-F2046 HydrophobicContact CG-CD1 3.48Å; F1993-F2046 VanDerWaalsContact CG-CD1 3.48Å; F1993-F2046 AromaticContact CG-CE1 3.77Å; F1993-F2046 HydrophobicContact CG-CE1 3.77Å; F1993-F2046 HydrophobicContact CG-CG 4.02Å; F1993-F2046 HydrophobicContact CZ-CB 3.79Å; F1993-F2046 HydrophobicContact CZ-CG 4.27Å; V2027-F2046 HydrophobicContact CG1-CD1 4.09Å; V2027-F2046 HydrophobicContact CG2-CD1 3.91Å; I2030-F2046 HydrophobicContact CD1-CD1 3.89Å; I2030-F2046 HydrophobicContact CD1-CE1 3.39Å; I2030-F2046 HydrophobicContact CD1-CE2 4.41Å; I2030-F2046 HydrophobicContact CD1-CZ 3.69Å; I2030-F2046 HydrophobicContact CG1-CD1 3.76Å; I2030-F2046 HydrophobicContact CG1-CE1 3.83Å; I2030-F2046 HydrophobicContact CG1-CG 4.21Å; I2030-F2046 HydrophobicContact CG1-CZ 4.31Å; I2030-F2046 HydrophobicContact CG2-CE2 4.49Å; L2044-F2046 HydrophobicContact CB-CD2 4.46Å; L2044-F2046 HydrophobicContact CB-CE2 3.95Å
2047	N	76.7	Confident	65.2	Low	8 Å²	8	49 Å²	49	4%	0.043	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	111.8	166.8	177	37.9	0	0	0	107.6	N2028 S2029 Y2120	N2028-N2047 WeakPolarHBondContact CB-O 3.49Å; N2028-N2047 PolarHBondContact N-O 2.84Å; S2029-N2047 PolarHBondContact N-O 3.3Å; S2029-N2047 PolarHBondContact O-N 3.31Å; N2047-Y2120 HydrophobicContact CB-CE1 4.08Å; N2047-Y2120 WeakPolarHBondContact ND2-CD2 2.91Å; N2047-Y2120 VanDerWaalsContact ND2-CE2 3.31Å; N2047-Y2120 WeakPolarHBondContact ND2-CE2 3.31Å
2048	Y	79.2	Confident	65.8	Low	6 Å²	6	48 Å²	48	2%	0.024	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	144.9	-173.6	77.9	-69.6	0	0	0	112.3	A1959 F1960 L1962 F1993 P2025 K2026 V2050	A1959-Y2048 CarbonylContact C-O 3.58Å; A1959-Y2048 WeakPolarHBondContact CA-O 3.4Å; F1960-Y2048 HydrophobicContact CB-CD1 4.5Å; F1960-Y2048 HydrophobicContact CB-CE1 3.88Å; F1960-Y2048 HydrophobicContact CD2-CE1 4.42Å; F1960-Y2048 HydrophobicContact CD2-CE2 4.47Å; F1960-Y2048 PolarHBondContact N-O 2.87Å; F1960-Y2048 WeakPolarHBondContact O-CD1 3.3Å; F1960-Y2048 WeakPolarHBondContact O-CE1 3.44Å; F1960-Y2048 PolarHBondContact O-N 2.56Å; L1962-Y2048 HydrophobicContact CB-CD1 4.19Å; L1962-Y2048 HydrophobicContact CB-CE1 3.81Å; L1962-Y2048 HydrophobicContact CD1-CE1 3.46Å; L1962-Y2048 VanDerWaalsContact CD1-CE1 3.46Å; L1962-Y2048 WeakPolarHBondContact CD1-OH 3.31Å; L1962-Y2048 HydrophobicContact CG-CE1 4.21Å; F1993-Y2048 AromaticContact CE1-CD1 3.78Å; F1993-Y2048 HydrophobicContact CE1-CD1 3.78Å; F1993-Y2048 AromaticContact CE1-CD2 3.79Å; F1993-Y2048 HydrophobicContact CE1-CD2 3.79Å; F1993-Y2048 HydrophobicContact CE1-CE1 4.29Å; F1993-Y2048 HydrophobicContact CE1-CE2 4.25Å; F1993-Y2048 AromaticContact CE1-CG 3.53Å; F1993-Y2048 HydrophobicContact CE1-CG 3.53Å; F1993-Y2048 AromaticContact CZ-CD1 3.57Å; F1993-Y2048 HydrophobicContact CZ-CD1 3.57Å; F1993-Y2048 HydrophobicContact CZ-CD2 4.35Å; F1993-Y2048 AromaticContact CZ-CE1 3.88Å; F1993-Y2048 HydrophobicContact CZ-CE1 3.88Å; F1993-Y2048 AromaticContact CZ-CG 3.86Å; F1993-Y2048 HydrophobicContact CZ-CG 3.86Å; P2025-Y2048 HydrophobicContact CB-CD2 4.03Å; P2025-Y2048 HydrophobicContact CB-CE2 4.46Å; K2026-Y2048 CarbonylContact O-C 3.54Å; K2026-Y2048 VanDerWaalsContact O-CA 3.23Å; K2026-Y2048 WeakPolarHBondContact O-CA 3.24Å; K2026-Y2048 WeakPolarHBondContact O-CB 3.26Å; Y2048-V2050 HydrophobicContact CD2-CG2 4.02Å; Y2048-V2050 HydrophobicContact CE2-CG2 3.49Å; Y2048-V2050 VanDerWaalsContact CE2-CG2 3.49Å
2049	T	72.6	Confident	66.6	Low	17 Å²	17	45.9 Å²	45.9	10%	0.104	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	131	177.9	-51	0	0	0	0	110.2	A1957 P2025 K2026 N2028 F2051	A1957-T2049 HydrophobicContact CB-CG2 3.78Å; P2025-T2049 CarbonylContact C-O 3.3Å; P2025-T2049 WeakPolarHBondContact CA-O 3.47Å; K2026-T2049 PolarHBondContact N-O 2.84Å; K2026-T2049 PolarHBondContact O-N 3.12Å; N2028-T2049 VanDerWaalsContact CG-OG1 3.24Å; N2028-T2049 PolarHBondContact ND2-OG1 2.94Å; N2028-T2049 PolarHBondContact OD1-OG1 3.23Å; T2049-F2051 HydrophobicContact CG2-CD2 4.43Å; T2049-F2051 HydrophobicContact CG2-CE1 4.37Å; T2049-F2051 HydrophobicContact CG2-CE2 3.95Å; T2049-F2051 HydrophobicContact CG2-CZ 3.92Å
2050	V	72.1	Confident	67.4	Low	0 Å²	0	43.7 Å²	43.7	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	123	171.3	165.2	0	0	0	0	109.2	A1957 F1958 F1960 F2022 Y2048 M2052 V2063 I2067	A1957-V2050 WeakPolarHBondContact CA-O 3.35Å; F1958-V2050 PolarHBondContact N-O 3.47Å; F1958-V2050 PolarHBondContact O-N 2.63Å; F1960-V2050 HydrophobicContact CD2-CB 4.41Å; F1960-V2050 HydrophobicContact CD2-CG2 3.91Å; F1960-V2050 HydrophobicContact CE2-CB 3.83Å; F1960-V2050 HydrophobicContact CE2-CG2 3.69Å; F2022-V2050 HydrophobicContact CD2-CG1 3.55Å; F2022-V2050 HydrophobicContact CE2-CB 4.22Å; F2022-V2050 HydrophobicContact CE2-CG1 3.47Å; F2022-V2050 VanDerWaalsContact CE2-CG1 3.47Å; F2022-V2050 HydrophobicContact CE2-CG2 3.94Å; Y2048-V2050 HydrophobicContact CD2-CG2 4.02Å; Y2048-V2050 HydrophobicContact CE2-CG2 3.49Å; Y2048-V2050 VanDerWaalsContact CE2-CG2 3.49Å; V2050-M2052 HydrophobicContact CG1-CG 3.81Å; V2050-M2052 HydrophobicContact CG1-SD 4.26Å; V2050-V2063 HydrophobicContact CG1-CG1 4.26Å; V2050-I2067 HydrophobicContact CG2-CD1 4.46Å
2051	F	68.8	Low	67.8	Low	44 Å²	44	46.1 Å²	46.1	19%	0.193	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	132.9	174	-65.5	-86.5	0	0	0	111.1	A1955 W1956 A1957 I2023 L2024 K2026 T2049	A1955-F2051 HydrophobicContact CB-CD1 4.36Å; W1956-F2051 WeakPolarHBondContact O-CA 3.23Å; A1957-F2051 HydrophobicContact CB-CD1 3.87Å; A1957-F2051 HydrophobicContact CB-CE1 3.67Å; A1957-F2051 HydrophobicContact CB-CZ 4.45Å; I2023-F2051 PolarHBondContact N-O 2.83Å; L2024-F2051 PolarHBondContact O-N 2.83Å; L2024-F2051 VanDerWaalsContact O-N 3.11Å; K2026-F2051 HydrophobicContact CB-CE2 4.18Å; T2049-F2051 HydrophobicContact CG2-CD2 4.43Å; T2049-F2051 HydrophobicContact CG2-CE1 4.37Å; T2049-F2051 HydrophobicContact CG2-CE2 3.95Å; T2049-F2051 HydrophobicContact CG2-CZ 3.92Å
2052	M	65	Low	68.5	Low	1 Å²	1	47 Å²	47	1%	0.005	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	151.7	-178.8	-58	-163.9	75.4	0	0	112.2	W1956 L2018 S2021 F2022 V2050 L2058 V2063	W1956-M2052 PolarHBondContact N-O 2.69Å; W1956-M2052 PolarHBondContact O-N 3.3Å; L2018-M2052 HydrophobicContact CB-CE 4.06Å; L2018-M2052 HydrophobicContact CD1-CE 4.42Å; L2018-M2052 HydrophobicContact CD2-CE 4.35Å; S2021-M2052 CarbonylContact O-C 3.53Å; S2021-M2052 WeakPolarHBondContact O-CA 3.48Å; S2021-M2052 WeakPolarHBondContact O-CB 3.48Å; F2022-M2052 HydrophobicContact CB-CE 4.4Å; V2050-M2052 HydrophobicContact CG1-CG 3.81Å; V2050-M2052 HydrophobicContact CG1-SD 4.26Å; M2052-L2058 HydrophobicContact CE-CD1 4.2Å; M2052-V2063 HydrophobicContact SD-CB 4.37Å; M2052-V2063 HydrophobicContact SD-CG1 3.83Å; M2052-V2063 HydrophobicContact SD-CG2 3.53Å; M2052-V2063 VanDerWaalsContact SD-CG2 3.53Å
2053	R	60.7	Low	68.8	Low	72 Å²	72	44.6 Å²	44.6	27%	0.272	23%	0.226	S	C	.	.			trans	-64.3	144.1	172.6	-61.6	-168.1	-123.8	-145.3	-7.3	110.3	V1944 L1946 D2020 S2021 I2023 D2055	V1944-R2053 HydrophobicContact CG2-CG 4.29Å; L1946-R2053 PolarHBondContact O-NH1 3.14Å; D2020-R2053 PolarHBondContact O-NE 3.18Å; D2020-R2053 PolarHBondContact O-NH2 2.83Å; S2021-R2053 PolarHBondContact O-N 2.69Å; I2023-R2053 HydrophobicContact CD1-CG 3.72Å; I2023-R2053 VanDerWaalsContact CD1-N 3.32Å; R2053-D2055 PolarHBondContact O-N 2.83Å
2054	P	54.9	Low	68.9	Low	57 Å²	57	44.8 Å²	44.8	37%	0.37	23%	0.227	S	C	.	.			trans	-71.1	118.5	175.5	-15.2	31	0	0	0	110.7	R1954	R1954-P2054 WeakPolarHBondContact O-CG 3.44Å
2055	D	56.6	Low	68.5	Low	106 Å²	106	48.1 Å²	48.1	57%	0.567	24%	0.244	S	C	*	.			trans	-148	143	172.3	-148.5	-12.1	0	0	0	109.8	R2053	R2053-D2055 PolarHBondContact O-N 2.83Å
2056	D	43.8	Very low	68	Low	131 Å²	131	50.1 Å²	50.1	70%	0.701	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.7	141.6	-173.1	-99.5	-32.6	0	0	0	111.1
2057	F	57.7	Low	67.6	Low	185 Å²	185	50.2 Å²	50.2	81%	0.811	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	80	5.2	178.5	-48	-74.4	0	0	0	119.1
2058	L	64	Low	67.5	Low	33 Å²	33	50.9 Å²	50.9	17%	0.173	26%	0.257	C	S	.	.			trans	-75.9	141.2	166.6	-70.2	179.5	0	0	0	112	L2018 M2052	L2018-L2058 HydrophobicContact CD2-CD2 3.57Å; M2052-L2058 HydrophobicContact CE-CD1 4.2Å
2059	T	67.6	Low	67.3	Low	62 Å²	62	54.1 Å²	54.1	38%	0.38	27%	0.273	S	S	.	.			trans	-133.8	147.9	176.2	64.9	0	0	0	0	111.3	Q2061 M2062 V2063	T2059-Q2061 PolarHBondContact O-N 2.74Å; T2059-Q2061 VanDerWaalsContact O-N 3.12Å; T2059-M2062 WeakPolarHBondContact O-CB 3.09Å; T2059-M2062 PolarHBondContact O-N 2.91Å; T2059-M2062 WeakPolarHBondContact OG1-CG 3.34Å; T2059-M2062 PolarHBondContact OG1-SD 3.38Å; T2059-M2062 VanDerWaalsContact OG1-SD 3.33Å; T2059-V2063 PolarHBondContact O-N 2.04Å
2060	P	67.9	Low	67	Low	41 Å²	41	54.3 Å²	54.3	27%	0.266	28%	0.275	S	S	.	.	H	α-helix	trans	-54.8	-35.8	-176.4	-28.1	34.8	0	0	0	114.2	F1958 M2062 V2063 W2064 F2093	F1958-P2060 HydrophobicContact CD1-CB 4.31Å; F1958-P2060 HydrophobicContact CD1-CG 3.72Å; F1958-P2060 HydrophobicContact CE1-CG 3.73Å; F1958-P2060 HydrophobicContact CG-CB 4.44Å; F1958-P2060 HydrophobicContact CG-CG 4.28Å; F1958-P2060 HydrophobicContact CZ-CG 4.29Å; P2060-M2062 VanDerWaalsContact C-N 3.34Å; P2060-M2062 PolarHBondContact O-N 3.44Å; P2060-V2063 PolarHBondContact O-N 3.46Å; P2060-W2064 PolarHBondContact O-N 3.45Å; P2060-F2093 HydrophobicContact CB-CD1 4.37Å; P2060-F2093 HydrophobicContact CB-CE1 3.52Å; P2060-F2093 HydrophobicContact CB-CE2 4.03Å; P2060-F2093 HydrophobicContact CB-CZ 3.33Å; P2060-F2093 WeakPolarHBondContact O-CE2 3.48Å
2061	Q	73.3	Confident	67	Low	78 Å²	78	54.4 Å²	54.4	36%	0.364	28%	0.275	S	S	.	.	H	α-helix	trans	-68	-30.1	177.7	-174.7	161.1	38.4	0	0	113.3	T2059 N2065 F2093	T2059-Q2061 PolarHBondContact O-N 2.74Å; T2059-Q2061 VanDerWaalsContact O-N 3.12Å; Q2061-N2065 WeakPolarHBondContact O-CB 3.26Å; Q2061-N2065 PolarHBondContact O-N 2.92Å; Q2061-N2065 PolarHBondContact O-ND2 3.49Å; Q2061-F2093 HydrophobicContact CB-CB 3.73Å; Q2061-F2093 HydrophobicContact CB-CD1 4.33Å; Q2061-F2093 HydrophobicContact CB-CD2 4.09Å; Q2061-F2093 HydrophobicContact CB-CG 3.76Å; Q2061-F2093 HydrophobicContact CG-CB 3.6Å; Q2061-F2093 HydrophobicContact CG-CD2 4.47Å; Q2061-F2093 HydrophobicContact CG-CG 4.14Å; Q2061-F2093 PolarHBondContact NE2-O 2.79Å
2062	M	71	Confident	67.2	Low	93 Å²	93	57.2 Å²	57.2	46%	0.458	29%	0.289	S	S	.	.	H	α-helix	trans	-72	-40.2	174	-70.6	166.9	58.6	0	0	111.2	T2059 P2060 N2065 E2066	T2059-M2062 WeakPolarHBondContact O-CB 3.09Å; T2059-M2062 PolarHBondContact O-N 2.91Å; T2059-M2062 WeakPolarHBondContact OG1-CG 3.34Å; T2059-M2062 PolarHBondContact OG1-SD 3.38Å; T2059-M2062 VanDerWaalsContact OG1-SD 3.33Å; P2060-M2062 VanDerWaalsContact C-N 3.34Å; P2060-M2062 PolarHBondContact O-N 3.44Å; M2062-N2065 PolarHBondContact O-N 3.24Å; M2062-E2066 PolarHBondContact O-N 3.18Å
2063	V	72.4	Confident	67.5	Low	0 Å²	0	61.2 Å²	61.2	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-60.7	-52	176.7	-175	0	0	0	0	110.6	F1958 F1960 F2001 L2018 V2050 M2052 T2059 P2060 N2065 E2066 I2067	F1958-V2063 HydrophobicContact CD2-CG2 4.4Å; F1960-V2063 HydrophobicContact CE2-CG1 4.02Å; F1960-V2063 HydrophobicContact CZ-CB 4.08Å; F1960-V2063 HydrophobicContact CZ-CG1 3.91Å; F2001-V2063 HydrophobicContact CZ-CG1 4.25Å; L2018-V2063 HydrophobicContact CD1-CB 4.32Å; L2018-V2063 HydrophobicContact CD1-CG1 4.4Å; L2018-V2063 HydrophobicContact CD1-CG2 4.24Å; V2050-V2063 HydrophobicContact CG1-CG1 4.26Å; M2052-V2063 HydrophobicContact SD-CB 4.37Å; M2052-V2063 HydrophobicContact SD-CG1 3.83Å; M2052-V2063 HydrophobicContact SD-CG2 3.53Å; M2052-V2063 VanDerWaalsContact SD-CG2 3.53Å; T2059-V2063 PolarHBondContact O-N 2.04Å; P2060-V2063 PolarHBondContact O-N 3.46Å; V2063-N2065 VanDerWaalsContact C-N 3.32Å; V2063-N2065 PolarHBondContact O-N 2.03Å; V2063-E2066 PolarHBondContact O-N 3.05Å; V2063-I2067 HydrophobicContact CG1-CD1 3.95Å; V2063-I2067 WeakPolarHBondContact O-CG1 2.81Å; V2063-I2067 PolarHBondContact O-N 3.3Å
2064	W	75.6	Confident	67.7	Low	4 Å²	4	59.5 Å²	59.5	2%	0.015	30%	0.303	C	S	.	.	H	α-helix	trans	-57.2	-40.5	176.4	177.7	-95.4	0	0	0	113.5	F1960 L1962 P2060 E2066 I2067 M2068 L2090 N2091 P2092 F2093	F1960-W2064 HydrophobicContact CB-CE3 3.78Å; F1960-W2064 HydrophobicContact CB-CZ3 3.67Å; F1960-W2064 HydrophobicContact CD1-CE3 4.03Å; F1960-W2064 HydrophobicContact CD2-CE3 4.41Å; F1960-W2064 HydrophobicContact CE1-CB 4.43Å; F1960-W2064 AromaticContact CG-CE3 3.83Å; F1960-W2064 HydrophobicContact CG-CE3 3.83Å; F1960-W2064 HydrophobicContact CG-CZ3 4.25Å; L1962-W2064 HydrophobicContact CD1-CH2 4.32Å; L1962-W2064 HydrophobicContact CD1-CZ3 4.08Å; P2060-W2064 PolarHBondContact O-N 3.45Å; W2064-E2066 VanDerWaalsContact C-N 3.34Å; W2064-E2066 PolarHBondContact O-N 2.75Å; W2064-I2067 PolarHBondContact O-N 3.25Å; W2064-M2068 HydrophobicContact CD2-CG 4.04Å; W2064-M2068 HydrophobicContact CG-CG 4.44Å; W2064-M2068 HydrophobicContact CH2-CG 4.38Å; W2064-M2068 HydrophobicContact CH2-SD 3.98Å; W2064-M2068 HydrophobicContact CZ2-CE 4.38Å; W2064-M2068 HydrophobicContact CZ2-CG 3.72Å; W2064-M2068 HydrophobicContact CZ2-SD 3.74Å; W2064-M2068 WeakPolarHBondContact O-CB 3.28Å; W2064-M2068 WeakPolarHBondContact O-CG 3.31Å; W2064-M2068 PolarHBondContact O-N 2.88Å; W2064-L2090 WeakPolarHBondContact CH2-O 3.46Å; W2064-L2090 WeakPolarHBondContact CZ2-O 3.43Å; W2064-N2091 PolarHBondContact NE1-OD1 2.72Å; W2064-P2092 HydrophobicContact CD2-CG 4.18Å; W2064-P2092 HydrophobicContact CE3-CG 4.17Å; W2064-P2092 HydrophobicContact CZ3-CG 4.47Å; W2064-F2093 HydrophobicContact CB-CD2 3.82Å; W2064-F2093 HydrophobicContact CB-CE2 3.79Å; W2064-F2093 HydrophobicContact CG-CD2 4.11Å; W2064-F2093 HydrophobicContact CG-CE2 4.3Å
2065	N	74.9	Confident	68.8	Low	69 Å²	69	61.9 Å²	61.9	37%	0.369	31%	0.312	S	S	.	.	H	α-helix	trans	-69.9	-26.5	-179.6	-73.9	-21.1	0	0	0	113.6	Q2061 M2062 V2063 Q2069	Q2061-N2065 WeakPolarHBondContact O-CB 3.26Å; Q2061-N2065 PolarHBondContact O-N 2.92Å; Q2061-N2065 PolarHBondContact O-ND2 3.49Å; M2062-N2065 PolarHBondContact O-N 3.24Å; V2063-N2065 VanDerWaalsContact C-N 3.32Å; V2063-N2065 PolarHBondContact O-N 2.03Å; N2065-Q2069 WeakPolarHBondContact O-CB 3.4Å; N2065-Q2069 VanDerWaalsContact O-CG 3.29Å; N2065-Q2069 WeakPolarHBondContact O-CG 3.46Å; N2065-Q2069 PolarHBondContact O-N 3.32Å; N2065-Q2069 PolarHBondContact O-NE2 2.03Å
2066	E	70.5	Confident	69.9	Low	45 Å²	45	58.2 Å²	58.2	21%	0.21	29%	0.292	C	S	.	.	H	α-helix	trans	-80.7	-41.3	172.6	-69.9	-73.6	105.7	0	0	111.2	T2016 R2017 L2018 M2062 V2063 W2064 M2068 Q2069 S2070	T2016-E2066 WeakPolarHBondContact CA-OE2 3.15Å; T2016-E2066 VanDerWaalsContact CB-OE2 3.31Å; T2016-E2066 WeakPolarHBondContact CB-OE2 3.34Å; T2016-E2066 HydrophobicContact CG2-CB 4.4Å; R2017-E2066 PolarHBondContact N-OE2 3.42Å; L2018-E2066 HydrophobicContact CD1-CB 3.92Å; L2018-E2066 HydrophobicContact CD1-CG 3.95Å; L2018-E2066 HydrophobicContact CG-CG 4.28Å; M2062-E2066 PolarHBondContact O-N 3.18Å; V2063-E2066 PolarHBondContact O-N 3.05Å; W2064-E2066 VanDerWaalsContact C-N 3.34Å; W2064-E2066 PolarHBondContact O-N 2.75Å; E2066-M2068 PolarHBondContact O-N 2.72Å; E2066-Q2069 PolarHBondContact O-N 3.37Å; E2066-Q2069 PolarHBondContact OE1-NE2 3.48Å; E2066-S2070 PolarHBondContact O-N 3.45Å
2067	I	74.1	Confident	71.6	Confident	2 Å²	2	52.4 Å²	52.4	1%	0.01	26%	0.261	C	S	.	.	H	α-helix	trans	-51.1	-57	172	-70.5	162.9	0	0	0	110.3	F1960 V2000 F2001 V2050 V2063 W2064 Q2069 S2070 I2071	F1960-I2067 HydrophobicContact CD2-CD1 3.96Å; F1960-I2067 HydrophobicContact CE2-CD1 3.65Å; F1960-I2067 HydrophobicContact CZ-CD1 4.48Å; V2000-I2067 HydrophobicContact CG1-CG2 4.26Å; F2001-I2067 HydrophobicContact CE1-CG1 4.24Å; F2001-I2067 HydrophobicContact CE2-CD1 4.06Å; F2001-I2067 HydrophobicContact CE2-CG1 3.55Å; F2001-I2067 HydrophobicContact CZ-CD1 3.74Å; F2001-I2067 HydrophobicContact CZ-CG1 3.26Å; V2050-I2067 HydrophobicContact CG2-CD1 4.46Å; V2063-I2067 HydrophobicContact CG1-CD1 3.95Å; V2063-I2067 WeakPolarHBondContact O-CG1 2.81Å; V2063-I2067 PolarHBondContact O-N 3.3Å; W2064-I2067 PolarHBondContact O-N 3.25Å; I2067-Q2069 VanDerWaalsContact C-N 3.28Å; I2067-Q2069 PolarHBondContact O-N 3.18Å; I2067-S2070 WeakPolarHBondContact O-CB 3.32Å; I2067-S2070 PolarHBondContact O-N 2.8Å; I2067-I2071 HydrophobicContact CG2-CD1 3.71Å; I2067-I2071 HydrophobicContact CG2-CG1 4.46Å; I2067-I2071 PolarHBondContact O-N 3.03Å
2068	M	75.7	Confident	72.5	Confident	22 Å²	22	43.7 Å²	43.7	11%	0.108	22%	0.223	C	C	.	.	H	α-helix	trans	-67.5	-28.9	-174.7	-67.8	-56.9	-68.5	0	0	112.6	W2064 E2066 Q2072 I2085 Q2089	W2064-M2068 HydrophobicContact CD2-CG 4.04Å; W2064-M2068 HydrophobicContact CG-CG 4.44Å; W2064-M2068 HydrophobicContact CH2-CG 4.38Å; W2064-M2068 HydrophobicContact CH2-SD 3.98Å; W2064-M2068 HydrophobicContact CZ2-CE 4.38Å; W2064-M2068 HydrophobicContact CZ2-CG 3.72Å; W2064-M2068 HydrophobicContact CZ2-SD 3.74Å; W2064-M2068 WeakPolarHBondContact O-CB 3.28Å; W2064-M2068 WeakPolarHBondContact O-CG 3.31Å; W2064-M2068 PolarHBondContact O-N 2.88Å; E2066-M2068 PolarHBondContact O-N 2.72Å; M2068-Q2072 VanDerWaalsContact O-CB 3.29Å; M2068-Q2072 WeakPolarHBondContact O-CB 3.14Å; M2068-Q2072 WeakPolarHBondContact O-CG 3.02Å; M2068-Q2072 PolarHBondContact O-N 3.25Å; M2068-I2085 HydrophobicContact CE-CD1 3.84Å; M2068-Q2089 HydrophobicContact CE-CB 3.96Å
2069	Q	74.4	Confident	72.5	Confident	74 Å²	74	42.3 Å²	42.3	35%	0.346	22%	0.217	S	C	.	.	H	α-helix	trans	-68.6	-37.2	170.6	-84.9	-179.7	82.7	0	0	112.6	N2065 E2066 I2067 R2073	N2065-Q2069 WeakPolarHBondContact O-CB 3.4Å; N2065-Q2069 VanDerWaalsContact O-CG 3.29Å; N2065-Q2069 WeakPolarHBondContact O-CG 3.46Å; N2065-Q2069 PolarHBondContact O-N 3.32Å; N2065-Q2069 PolarHBondContact O-NE2 2.03Å; E2066-Q2069 PolarHBondContact O-N 3.37Å; E2066-Q2069 PolarHBondContact OE1-NE2 3.48Å; I2067-Q2069 VanDerWaalsContact C-N 3.28Å; I2067-Q2069 PolarHBondContact O-N 3.18Å; Q2069-R2073 WeakPolarHBondContact O-CD 3.29Å; Q2069-R2073 WeakPolarHBondContact O-CG 2.99Å; Q2069-R2073 PolarHBondContact O-N 2.92Å; Q2069-R2073 PolarHBondContact O-NE 2.78Å
2070	S	67.1	Low	72.5	Confident	21 Å²	21	42 Å²	42	15%	0.147	23%	0.226	C	C	.	.	H	α-helix	trans	-69.7	-48.1	178.4	-170.6	0	0	0	0	111.1	V2000 E2066 I2067 Q2072 R2073 S2074	V2000-S2070 VanDerWaalsContact O-CB 3.31Å; V2000-S2070 WeakPolarHBondContact O-CB 3.3Å; V2000-S2070 PolarHBondContact O-OG 3.1Å; E2066-S2070 PolarHBondContact O-N 3.45Å; I2067-S2070 WeakPolarHBondContact O-CB 3.32Å; I2067-S2070 PolarHBondContact O-N 2.8Å; S2070-Q2072 PolarHBondContact O-N 3.38Å; S2070-R2073 WeakPolarHBondContact O-CA 3.29Å; S2070-R2073 WeakPolarHBondContact O-CB 3.04Å; S2070-R2073 PolarHBondContact O-N 3.37Å; S2070-S2074 PolarHBondContact O-N 2.88Å; S2070-S2074 PolarHBondContact O-OG 2.78Å
2071	I	71.7	Confident	73	Confident	2 Å²	2	40.8 Å²	40.8	1%	0.01	22%	0.218	C	C	.	.	H	α-helix	trans	-60.2	-33.1	174.3	-62.4	173.2	0	0	0	112	L1962 V2000 I2067 R2073 S2074 F2076 I2078 I2085	L1962-I2071 HydrophobicContact CD1-CD1 4.4Å; V2000-I2071 HydrophobicContact CG1-CG1 4.33Å; V2000-I2071 HydrophobicContact CG2-CD1 4.23Å; V2000-I2071 HydrophobicContact CG2-CG1 3.51Å; I2067-I2071 HydrophobicContact CG2-CD1 3.71Å; I2067-I2071 HydrophobicContact CG2-CG1 4.46Å; I2067-I2071 PolarHBondContact O-N 3.03Å; I2071-R2073 VanDerWaalsContact C-N 3.32Å; I2071-R2073 PolarHBondContact O-N 2.95Å; I2071-S2074 WeakPolarHBondContact CA-OG 3.27Å; I2071-S2074 PolarHBondContact O-OG 2.92Å; I2071-S2074 VanDerWaalsContact O-OG 3.11Å; I2071-F2076 WeakPolarHBondContact O-CA 3.25Å; I2071-F2076 PolarHBondContact O-N 3.28Å; I2071-I2078 HydrophobicContact CD1-CG2 4.38Å; I2071-I2085 HydrophobicContact CG2-CD1 3.46Å; I2071-I2085 VanDerWaalsContact CG2-CD1 3.46Å; I2071-I2085 HydrophobicContact CG2-CG1 3.71Å; I2071-I2085 HydrophobicContact CG2-CG2 4.46Å
2072	Q	73.1	Confident	73.3	Confident	104 Å²	104	40.1 Å²	40.1	49%	0.486	22%	0.215	S	C	.	.	H	α-helix	trans	-67.8	-28.6	172.3	-78.5	170.4	21.2	0	0	113.4	M2068 S2070 N2075 F2076	M2068-Q2072 VanDerWaalsContact O-CB 3.29Å; M2068-Q2072 WeakPolarHBondContact O-CB 3.14Å; M2068-Q2072 WeakPolarHBondContact O-CG 3.02Å; M2068-Q2072 PolarHBondContact O-N 3.25Å; S2070-Q2072 PolarHBondContact O-N 3.38Å; Q2072-N2075 PolarHBondContact O-N 3.32Å; Q2072-F2076 HydrophobicContact CG-CE1 3.74Å; Q2072-F2076 HydrophobicContact CG-CZ 3.75Å
2073	R	70.3	Confident	73.9	Confident	85 Å²	85	35.7 Å²	35.7	32%	0.321	19%	0.193	S	C	.	.	H	α-helix	trans	-75.7	-35.9	178.2	-67.7	159.4	-168.3	-175.1	9.5	111.6	V2013 A2014 Q2069 S2070 I2071 N2075	V2013-R2073 HydrophobicContact CB-CB 4.25Å; V2013-R2073 HydrophobicContact CG1-CB 4.06Å; V2013-R2073 HydrophobicContact CG1-CG 3.81Å; V2013-R2073 HydrophobicContact CG2-CB 4.35Å; A2014-R2073 PolarHBondContact O-NH1 3.3Å; Q2069-R2073 WeakPolarHBondContact O-CD 3.29Å; Q2069-R2073 WeakPolarHBondContact O-CG 2.99Å; Q2069-R2073 PolarHBondContact O-N 2.92Å; Q2069-R2073 PolarHBondContact O-NE 2.78Å; S2070-R2073 WeakPolarHBondContact O-CA 3.29Å; S2070-R2073 WeakPolarHBondContact O-CB 3.04Å; S2070-R2073 PolarHBondContact O-N 3.37Å; I2071-R2073 VanDerWaalsContact C-N 3.32Å; I2071-R2073 PolarHBondContact O-N 2.95Å; R2073-N2075 PolarHBondContact O-N 3.05Å; R2073-N2075 VanDerWaalsContact O-N 3.17Å
2074	S	65.2	Low	74.4	Confident	35 Å²	35	38.4 Å²	38.4	25%	0.245	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.7	19.5	168.2	46.7	0	0	0	0	113.6	S2070 I2071 F2076 S2077	S2070-S2074 PolarHBondContact O-N 2.88Å; S2070-S2074 PolarHBondContact O-OG 2.78Å; I2071-S2074 WeakPolarHBondContact CA-OG 3.27Å; I2071-S2074 PolarHBondContact O-OG 2.92Å; I2071-S2074 VanDerWaalsContact O-OG 3.11Å; S2074-F2076 VanDerWaalsContact C-N 3.3Å; S2074-F2076 PolarHBondContact O-N 3.37Å; S2074-S2077 WeakPolarHBondContact CB-O 3.3Å; S2074-S2077 PolarHBondContact O-N 3.02Å; S2074-S2077 PolarHBondContact O-OG 3.29Å; S2074-S2077 VanDerWaalsContact O-OG 3.12Å; S2074-S2077 PolarHBondContact OG-O 3.13Å
2075	N	77.2	Confident	74.6	Confident	107 Å²	107	38.7 Å²	38.7	57%	0.572	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.9	47.7	179.6	-170.8	43.5	0	0	0	113.2	Q2072 R2073 S2077	Q2072-N2075 PolarHBondContact O-N 3.32Å; R2073-N2075 PolarHBondContact O-N 3.05Å; R2073-N2075 VanDerWaalsContact O-N 3.17Å; N2075-S2077 VanDerWaalsContact C-N 3.28Å; N2075-S2077 PolarHBondContact O-N 3.29Å
2076	F	81	Confident	74.3	Confident	30 Å²	30	37 Å²	37	13%	0.132	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.5	10.9	176.1	-54.8	-93.1	0	0	0	115.3	I2071 Q2072 S2074 Y2084 I2085 R2087	I2071-F2076 WeakPolarHBondContact O-CA 3.25Å; I2071-F2076 PolarHBondContact O-N 3.28Å; Q2072-F2076 HydrophobicContact CG-CE1 3.74Å; Q2072-F2076 HydrophobicContact CG-CZ 3.75Å; S2074-F2076 VanDerWaalsContact C-N 3.3Å; S2074-F2076 PolarHBondContact O-N 3.37Å; F2076-Y2084 CarbonylContact O-C 3.55Å; F2076-Y2084 VanDerWaalsContact O-CA 3.25Å; F2076-Y2084 WeakPolarHBondContact O-CA 3.03Å; F2076-I2085 HydrophobicContact CB-CG1 3.89Å; F2076-I2085 HydrophobicContact CD1-CD1 3.99Å; F2076-I2085 HydrophobicContact CD1-CG1 4Å; F2076-I2085 HydrophobicContact CG-CG1 4.47Å; F2076-I2085 WeakPolarHBondContact O-CG1 3.49Å; F2076-I2085 PolarHBondContact O-N 2.93Å; F2076-R2087 HydrophobicContact CD1-CG 3.69Å; F2076-R2087 HydrophobicContact CD2-CG 4.12Å; F2076-R2087 HydrophobicContact CE1-CB 4.33Å; F2076-R2087 HydrophobicContact CE1-CG 3.34Å; F2076-R2087 HydrophobicContact CE2-CG 3.84Å; F2076-R2087 HydrophobicContact CG-CG 4.08Å; F2076-R2087 HydrophobicContact CZ-CG 3.43Å; F2076-R2087 VanDerWaalsContact CZ-CG 3.43Å
2077	S	78.6	Confident	73.9	Confident	8 Å²	8	43 Å²	43	6%	0.056	22%	0.217	C	C	.	.	B	Isolated β-bridge	trans	-82.3	146.2	156.4	64.4	0	0	0	0	111.2	S2074 N2075 G2079 T2081 L2083	S2074-S2077 WeakPolarHBondContact CB-O 3.3Å; S2074-S2077 PolarHBondContact O-N 3.02Å; S2074-S2077 PolarHBondContact O-OG 3.29Å; S2074-S2077 VanDerWaalsContact O-OG 3.12Å; S2074-S2077 PolarHBondContact OG-O 3.13Å; N2075-S2077 VanDerWaalsContact C-N 3.28Å; N2075-S2077 PolarHBondContact O-N 3.29Å; S2077-G2079 PolarHBondContact O-N 2.77Å; S2077-G2079 VanDerWaalsContact O-N 3.13Å; S2077-T2081 WeakPolarHBondContact CB-O 3.3Å; S2077-L2083 CarbonylContact C-O 3.15Å; S2077-L2083 VanDerWaalsContact CA-O 3.28Å; S2077-L2083 WeakPolarHBondContact CA-O 3.49Å
2078	I	76.9	Confident	73.1	Confident	2 Å²	2	50.8 Å²	50.8	1%	0.01	25%	0.251	C	S	.	.	S	Bend	trans	-75.4	103	173.1	-49.5	-179.3	0	0	0	107.5	L1962 V1964 F1993 G1996 A1997 V2000 I2071 T2081 L2083 I2085	L1962-I2078 HydrophobicContact CD2-CD1 3.59Å; L1962-I2078 HydrophobicContact CD2-CG1 4.34Å; V1964-I2078 HydrophobicContact CG2-CD1 3.75Å; F1993-I2078 HydrophobicContact CD2-CD1 3.57Å; F1993-I2078 HydrophobicContact CE2-CD1 3.45Å; F1993-I2078 VanDerWaalsContact CE2-CD1 3.45Å; F1993-I2078 HydrophobicContact CG-CD1 4.49Å; F1993-I2078 HydrophobicContact CZ-CD1 4.27Å; G1996-I2078 WeakPolarHBondContact CA-O 3.15Å; A1997-I2078 HydrophobicContact CB-CG2 4.46Å; V2000-I2078 HydrophobicContact CG2-CG2 3.94Å; I2071-I2078 HydrophobicContact CD1-CG2 4.38Å; I2078-T2081 PolarHBondContact O-N 3.05Å; I2078-T2081 PolarHBondContact O-OG1 3.22Å; I2078-L2083 PolarHBondContact N-O 2.65Å; I2078-I2085 HydrophobicContact CD1-CG2 3.89Å; I2078-I2085 HydrophobicContact CG1-CG2 3.63Å
2079	G	65	Low	72.3	Confident	5 Å²	5	50.9 Å²	50.9	5%	0.052	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	45.3	71.6	173.6	0	0	0	0	0	113.7	G1996 E1999 S2077 T2081	G1996-G2079 WeakPolarHBondContact O-CA 3.24Å; E1999-G2079 VanDerWaalsContact CB-O 3.31Å; E1999-G2079 WeakPolarHBondContact CB-O 2.93Å; E1999-G2079 VanDerWaalsContact CD-O 3.3Å; S2077-G2079 PolarHBondContact O-N 2.77Å; S2077-G2079 VanDerWaalsContact O-N 3.13Å; G2079-T2081 PolarHBondContact O-N 3.16Å
2080	G	67.3	Low	71.3	Confident	55 Å²	55	48.7 Å²	48.7	57%	0.567	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	73.6	-27.7	175.3	0	0	0	0	0	116.2
2081	T	77.8	Confident	70.8	Confident	15 Å²	15	50.6 Å²	50.6	9%	0.092	25%	0.25	C	S	.	.	S	Bend	trans	-67.6	171.8	-171.9	68.4	0	0	0	0	114.8	G1996 S2077 I2078 G2079 L2083	G1996-T2081 VanDerWaalsContact CA-CG2 3.48Å; S2077-T2081 WeakPolarHBondContact CB-O 3.3Å; I2078-T2081 PolarHBondContact O-N 3.05Å; I2078-T2081 PolarHBondContact O-OG1 3.22Å; G2079-T2081 PolarHBondContact O-N 3.16Å; T2081-L2083 PolarHBondContact O-N 3.38Å; T2081-L2083 PolarHBondContact OG1-N 2.73Å
2082	E	78.4	Confident	70	Confident	64 Å²	64	51.7 Å²	51.7	30%	0.299	26%	0.258	S	S	.	.	S	Bend	trans	-65.3	-16.8	175.2	-51.2	-166.1	137.5	0	0	113.8	R1967 N1968 Y2084	R1967-E2082 CarbonylContact C-O 3.54Å; R1967-E2082 WeakPolarHBondContact CA-O 3.5Å; R1967-E2082 HydrophobicContact CG-CB 3.83Å; R1967-E2082 WeakPolarHBondContact CG-OE2 3.29Å; R1967-E2082 IonicContact CZ-OE2 2.8Å; R1967-E2082 IonicContact NE-OE2 3.9Å; R1967-E2082 PolarHBondContact NE-OE2 3.4Å; R1967-E2082 IonicContact NH2-OE2 3.07Å; N1968-E2082 PolarHBondContact N-O 2.98Å; N1968-E2082 PolarHBondContact ND2-OE1 2.81Å; N1968-E2082 WeakPolarHBondContact OD1-CB 2.94Å; N1968-E2082 WeakPolarHBondContact OD1-CG 3.02Å; E2082-Y2084 WeakPolarHBondContact O-CD2 3.13Å; E2082-Y2084 PolarHBondContact O-N 2.64Å
2083	L	84	Confident	69.1	Low	0 Å²	0	49 Å²	49	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	112.1	-173.7	-62.6	-168.8	0	0	0	111.3	V1964 R1967 L1972 I1989 L1992 F1993 S2077 I2078 T2081	V1964-L2083 HydrophobicContact CG1-CB 3.77Å; V1964-L2083 HydrophobicContact CG1-CD2 4.18Å; V1964-L2083 HydrophobicContact CG1-CG 4.36Å; R1967-L2083 HydrophobicContact CB-CD2 4.03Å; R1967-L2083 HydrophobicContact CG-CD2 4.11Å; L1972-L2083 HydrophobicContact CD1-CD2 4.45Å; I1989-L2083 HydrophobicContact CD1-CD2 4.08Å; I1989-L2083 HydrophobicContact CG1-CD1 4.06Å; I1989-L2083 HydrophobicContact CG1-CD2 3.83Å; L1992-L2083 HydrophobicContact CB-CD1 3.69Å; L1992-L2083 HydrophobicContact CB-CD2 4.41Å; L1992-L2083 HydrophobicContact CB-CG 3.94Å; L1992-L2083 HydrophobicContact CD1-CD2 4.43Å; F1993-L2083 HydrophobicContact CB-CD1 3.99Å; S2077-L2083 CarbonylContact C-O 3.15Å; S2077-L2083 VanDerWaalsContact CA-O 3.28Å; S2077-L2083 WeakPolarHBondContact CA-O 3.49Å; I2078-L2083 PolarHBondContact N-O 2.65Å; T2081-L2083 PolarHBondContact O-N 3.38Å; T2081-L2083 PolarHBondContact OG1-N 2.73Å
2084	Y	82.6	Confident	68.1	Low	57 Å²	57	46.9 Å²	46.9	22%	0.224	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	134.5	176.7	-66.1	-91	0	0	0	112.7	V1964 V1965 R1966 F2076 E2082	V1964-Y2084 CarbonylContact C-O 3.49Å; V1964-Y2084 WeakPolarHBondContact CG1-O 3.45Å; V1965-Y2084 PolarHBondContact N-O 3.3Å; R1966-Y2084 HydrophobicContact CG-CD2 4.12Å; R1966-Y2084 HydrophobicContact CG-CG 4.29Å; R1966-Y2084 VanDerWaalsContact NH2-CD2 3.29Å; R1966-Y2084 VanDerWaalsContact NH2-CG 3.3Å; R1966-Y2084 PolarHBondContact O-N 2.9Å; F2076-Y2084 CarbonylContact O-C 3.55Å; F2076-Y2084 VanDerWaalsContact O-CA 3.25Å; F2076-Y2084 WeakPolarHBondContact O-CA 3.03Å; E2082-Y2084 WeakPolarHBondContact O-CD2 3.13Å; E2082-Y2084 PolarHBondContact O-N 2.64Å
2085	I	79.9	Confident	66.8	Low	11 Å²	11	51.7 Å²	51.7	6%	0.056	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	161.5	176	65.6	155.4	0	0	0	112.9	L1962 R1963 M2068 I2071 F2076 I2078 Q2089	L1962-I2085 HydrophobicContact CD2-CG2 3.58Å; R1963-I2085 WeakPolarHBondContact O-CA 3.34Å; M2068-I2085 HydrophobicContact CE-CD1 3.84Å; I2071-I2085 HydrophobicContact CG2-CD1 3.46Å; I2071-I2085 VanDerWaalsContact CG2-CD1 3.46Å; I2071-I2085 HydrophobicContact CG2-CG1 3.71Å; I2071-I2085 HydrophobicContact CG2-CG2 4.46Å; F2076-I2085 HydrophobicContact CB-CG1 3.89Å; F2076-I2085 HydrophobicContact CD1-CD1 3.99Å; F2076-I2085 HydrophobicContact CD1-CG1 4Å; F2076-I2085 HydrophobicContact CG-CG1 4.47Å; F2076-I2085 WeakPolarHBondContact O-CG1 3.49Å; F2076-I2085 PolarHBondContact O-N 2.93Å; I2078-I2085 HydrophobicContact CD1-CG2 3.89Å; I2078-I2085 HydrophobicContact CG1-CG2 3.63Å; I2085-Q2089 HydrophobicContact CB-CG 4.37Å; I2085-Q2089 VanDerWaalsContact CB-NE2 3.29Å; I2085-Q2089 HydrophobicContact CD1-CG 4.27Å; I2085-Q2089 VanDerWaalsContact CD1-OE1 3.31Å
2086	D	69.2	Low	65.2	Low	34 Å²	34	51.8 Å²	51.8	18%	0.182	28%	0.275	C	S	.	.	P	Polyproline II helix	trans	-65.6	140.8	163.5	-157.4	-39.1	0	0	0	110.2	R1963 V1965 F2088 Q2089	R1963-D2086 IonicContact CZ-OD2 3.51Å; R1963-D2086 IonicContact NH1-OD2 3.52Å; R1963-D2086 PolarHBondContact NH1-OD2 3.46Å; R1963-D2086 IonicContact NH2-OD2 3.43Å; R1963-D2086 PolarHBondContact O-N 3.25Å; V1965-D2086 HydrophobicContact CG2-CB 3.66Å; D2086-F2088 PolarHBondContact O-N 2.02Å; D2086-F2088 WeakPolarHBondContact OD1-CD2 3.38Å; D2086-F2088 PolarHBondContact OD1-N 3.45Å; D2086-Q2089 HydrophobicContact CB-CG 4.45Å; D2086-Q2089 WeakPolarHBondContact O-CG 3.04Å
2087	R	62.2	Low	63.7	Low	169 Å²	169	51.2 Å²	51.2	64%	0.638	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-23.3	168.3	-115.6	-179.7	-171.1	-172.5	5.6	113	F2076	F2076-R2087 HydrophobicContact CD1-CG 3.69Å; F2076-R2087 HydrophobicContact CD2-CG 4.12Å; F2076-R2087 HydrophobicContact CE1-CB 4.33Å; F2076-R2087 HydrophobicContact CE1-CG 3.34Å; F2076-R2087 HydrophobicContact CE2-CG 3.84Å; F2076-R2087 HydrophobicContact CG-CG 4.08Å; F2076-R2087 HydrophobicContact CZ-CG 3.43Å; F2076-R2087 VanDerWaalsContact CZ-CG 3.43Å
2088	F	58.2	Low	62.6	Low	166 Å²	166	52.8 Å²	52.8	73%	0.728	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.9	39.3	-178	-57.5	-76.1	0	0	0	112.3	D2086	D2086-F2088 PolarHBondContact O-N 2.02Å; D2086-F2088 WeakPolarHBondContact OD1-CD2 3.38Å; D2086-F2088 PolarHBondContact OD1-N 3.45Å
2089	Q	57.7	Low	61.5	Low	24 Å²	24	59.2 Å²	59.2	11%	0.112	33%	0.334	C	S	.	.			trans	-61.2	146.5	177	-93.7	-169.6	-10	0	0	113.7	L1962 R1963 M2068 I2085 D2086	L1962-Q2089 VanDerWaalsContact CG-NE2 3.27Å; R1963-Q2089 PolarHBondContact O-NE2 2.89Å; M2068-Q2089 HydrophobicContact CE-CB 3.96Å; I2085-Q2089 HydrophobicContact CB-CG 4.37Å; I2085-Q2089 VanDerWaalsContact CB-NE2 3.29Å; I2085-Q2089 HydrophobicContact CD1-CG 4.27Å; I2085-Q2089 VanDerWaalsContact CD1-OE1 3.31Å; D2086-Q2089 HydrophobicContact CB-CG 4.45Å; D2086-Q2089 WeakPolarHBondContact O-CG 3.04Å
2090	L	54.2	Low	61.1	Low	29 Å²	29	64.8 Å²	64.8	15%	0.152	36%	0.362	C	S	.	.			trans	-72.1	126.6	-178.7	-73.2	172.1	0	0	0	111.2	W2040 W2064 P2092 N2112 L2114	W2040-L2090 HydrophobicContact CH2-CD1 3.36Å; W2040-L2090 HydrophobicContact CH2-CG 3.61Å; W2040-L2090 HydrophobicContact CZ2-CD1 4.15Å; W2040-L2090 HydrophobicContact CZ2-CG 4.06Å; W2040-L2090 HydrophobicContact CZ3-CD1 3.85Å; W2064-L2090 WeakPolarHBondContact CH2-O 3.46Å; W2064-L2090 WeakPolarHBondContact CZ2-O 3.43Å; L2090-P2092 WeakPolarHBondContact O-CD 3.37Å; L2090-N2112 HydrophobicContact CB-CB 3.68Å; L2090-N2112 WeakPolarHBondContact CB-ND2 3.43Å; L2090-N2112 HydrophobicContact CD1-CB 4.07Å; L2090-N2112 VanDerWaalsContact CD1-ND2 3.3Å; L2090-N2112 WeakPolarHBondContact CD1-ND2 3.39Å; L2090-N2112 HydrophobicContact CD2-CB 4.01Å; L2090-N2112 HydrophobicContact CG-CB 4.12Å; L2090-L2114 HydrophobicContact CD2-CD1 3.96Å
2091	N	56.1	Low	60.8	Low	60 Å²	60	71.5 Å²	71.5	32%	0.321	38%	0.376	S	S	.	.			trans	-97.2	109.6	177.8	-177	-25.5	0	0	0	110.5	W2064 F2093 G2094	W2064-N2091 PolarHBondContact NE1-OD1 2.72Å; N2091-F2093 PolarHBondContact O-N 3.48Å; N2091-F2093 PolarHBondContact OD1-N 2.61Å; N2091-G2094 PolarHBondContact O-N 2.78Å
2092	P	55.5	Low	60.3	Low	26 Å²	26	71.8 Å²	71.8	17%	0.169	38%	0.378	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-16.6	-178.4	18.1	-28.4	0	0	0	114.9	F1960 W2064 L2090 N2112 N2113	F1960-P2092 HydrophobicContact CD1-CG 4.26Å; W2064-P2092 HydrophobicContact CD2-CG 4.18Å; W2064-P2092 HydrophobicContact CE3-CG 4.17Å; W2064-P2092 HydrophobicContact CZ3-CG 4.47Å; L2090-P2092 WeakPolarHBondContact O-CD 3.37Å; P2092-N2112 WeakPolarHBondContact CA-OD1 3.32Å; P2092-N2112 WeakPolarHBondContact CB-OD1 3.02Å; P2092-N2113 PolarHBondContact O-ND2 2.81Å
2093	F	53.4	Low	60	Low	48 Å²	48	72 Å²	72	21%	0.211	38%	0.382	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108	11.3	-173.9	-53.9	-67	0	0	0	115.1	F1960 P2060 Q2061 W2064 N2091 L2095	F1960-F2093 AromaticContact CD1-CE2 3.83Å; F1960-F2093 HydrophobicContact CD1-CE2 3.83Å; F1960-F2093 HydrophobicContact CD1-CZ 4.03Å; F1960-F2093 AromaticContact CE1-CE2 3.56Å; F1960-F2093 HydrophobicContact CE1-CE2 3.56Å; F1960-F2093 AromaticContact CE1-CZ 3.7Å; F1960-F2093 HydrophobicContact CE1-CZ 3.7Å; P2060-F2093 HydrophobicContact CB-CD1 4.37Å; P2060-F2093 HydrophobicContact CB-CE1 3.52Å; P2060-F2093 HydrophobicContact CB-CE2 4.03Å; P2060-F2093 HydrophobicContact CB-CZ 3.33Å; P2060-F2093 WeakPolarHBondContact O-CE2 3.48Å; Q2061-F2093 HydrophobicContact CB-CB 3.73Å; Q2061-F2093 HydrophobicContact CB-CD1 4.33Å; Q2061-F2093 HydrophobicContact CB-CD2 4.09Å; Q2061-F2093 HydrophobicContact CB-CG 3.76Å; Q2061-F2093 HydrophobicContact CG-CB 3.6Å; Q2061-F2093 HydrophobicContact CG-CD2 4.47Å; Q2061-F2093 HydrophobicContact CG-CG 4.14Å; Q2061-F2093 PolarHBondContact NE2-O 2.79Å; W2064-F2093 HydrophobicContact CB-CD2 3.82Å; W2064-F2093 HydrophobicContact CB-CE2 3.79Å; W2064-F2093 HydrophobicContact CG-CD2 4.11Å; W2064-F2093 HydrophobicContact CG-CE2 4.3Å; N2091-F2093 PolarHBondContact O-N 3.48Å; N2091-F2093 PolarHBondContact OD1-N 2.61Å; F2093-L2095 VanDerWaalsContact C-N 3.34Å; F2093-L2095 WeakPolarHBondContact O-CD1 3.48Å; F2093-L2095 PolarHBondContact O-N 2.88Å
2094	G	48.5	Very low	59.3	Low	39 Å²	39	80.1 Å²	80.1	40%	0.402	42%	0.419	S	S	.	.	S	Bend	trans	-76.6	76.6	171.4	0	0	0	0	0	112.6	N2091 N2113	N2091-G2094 PolarHBondContact O-N 2.78Å; G2094-N2113 WeakPolarHBondContact O-CB 3.22Å; G2094-N2113 PolarHBondContact O-ND2 2.8Å; G2094-N2113 PolarHBondContact O-OD1 3.42Å
2095	L	39.3	Very low	58.4	Low	137 Å²	137	81.6 Å²	81.6	72%	0.717	44%	0.443	S	S	*	.	S	Bend	trans	-39	137.1	-171.9	-85.4	80.4	0	0	0	115.4	F2093	F2093-L2095 VanDerWaalsContact C-N 3.34Å; F2093-L2095 WeakPolarHBondContact O-CD1 3.48Å; F2093-L2095 PolarHBondContact O-N 2.88Å
2096	T	42.9	Very low	57.9	Low	108 Å²	108	82.1 Å²	82.1	66%	0.663	45%	0.446	S	S	*	.	S	Bend	trans	91.7	121	178.3	67.6	0	0	0	0	114.6	G2098 N2113	T2096-G2098 PolarHBondContact O-N 3.24Å; T2096-N2113 VanDerWaalsContact C-OD1 3.3Å; T2096-N2113 PolarHBondContact N-OD1 3.34Å; T2096-N2113 WeakPolarHBondContact O-CB 2.99Å
2097	C	49.2	Very low	57.8	Low	19 Å²	19	82 Å²	82	13%	0.128	45%	0.453	C	S	.	.			trans	-74.9	53.1	-175	-147.8	0	0	0	0	112.7	L2100 C2110 N2113	C2097-L2100 PolarHBondContact O-N 3.49Å; C2097-L2100 VanDerWaalsContact O-N 3.09Å; C2097-C2110 HydrophobicContact CB-CB 4.08Å; C2097-C2110 WeakPolarHBondContact CB-SG 3.4Å; C2097-C2110 WeakPolarHBondContact SG-CB 3.27Å; C2097-C2110 CovalentContact SG-SG 2.04Å; C2097-C2110 PolarHBondContact SG-SG 2.83Å; C2097-N2113 CarbonylContact C-O 3.55Å; C2097-N2113 WeakPolarHBondContact CA-O 3.32Å
2098	G	55.3	Low	58.1	Low	40 Å²	40	75.2 Å²	75.2	41%	0.412	43%	0.429	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.5	-137.1	-162.8	0	0	0	0	0	111.2	T2096 L2100 N2113	T2096-G2098 PolarHBondContact O-N 3.24Å; G2098-L2100 VanDerWaalsContact C-N 3.34Å; G2098-N2113 PolarHBondContact N-O 2.82Å; G2098-N2113 VanDerWaalsContact N-O 3.08Å
2099	P	54.9	Low	58.7	Low	138 Å²	138	70.5 Å²	70.5	90%	0.896	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.4	-3	172.8	36	-34.5	0	0	0	113.6
2100	L	55.6	Low	59.1	Low	122 Å²	122	72 Å²	72	64%	0.639	43%	0.425	S	S	*	.			trans	-95.5	158.1	-171.7	-73.6	165.7	0	0	0	111.9	C2097 G2098	C2097-L2100 PolarHBondContact O-N 3.49Å; C2097-L2100 VanDerWaalsContact O-N 3.09Å; G2098-L2100 VanDerWaalsContact C-N 3.34Å
2101	K	62.3	Low	59	Low	196 Å²	196	71.3 Å²	71.3	85%	0.852	42%	0.423	S	S	*	.			trans	-135.3	106.5	178.1	-168.6	-175.7	-178.4	-168.3	0	108.7
2102	C	67.3	Low	58.5	Low	21 Å²	21	69 Å²	69	14%	0.142	41%	0.411	C	S	.	.			trans	-59.6	142.7	-171.5	-49.4	0	0	0	0	112.6	Q2104 E2108 C2110 C2116	C2102-Q2104 PolarHBondContact O-N 2.78Å; C2102-E2108 HydrophobicContact CB-CB 3.9Å; C2102-C2110 WeakPolarHBondContact SG-CA 3.27Å; C2102-C2110 VanDerWaalsContact SG-CB 3.51Å; C2102-C2116 WeakPolarHBondContact CA-SG 3.15Å; C2102-C2116 HydrophobicContact CB-CB 3.59Å; C2102-C2116 WeakPolarHBondContact CB-SG 3.41Å; C2102-C2116 PolarHBondContact N-SG 2.82Å; C2102-C2116 WeakPolarHBondContact SG-CA 3.36Å; C2102-C2116 WeakPolarHBondContact SG-CB 3.25Å; C2102-C2116 CovalentContact SG-SG 2.04Å; C2102-C2116 PolarHBondContact SG-SG 3.4Å
2103	N	71.3	Confident	58.5	Low	69 Å²	69	69.4 Å²	69.4	37%	0.369	41%	0.411	S	S	.	.			trans	-86.8	92.2	-171.4	-168.1	6.2	0	0	0	111.3	A2105 L2106 E2108	N2103-A2105 PolarHBondContact O-N 2.97Å; N2103-A2105 VanDerWaalsContact O-N 3.08Å; N2103-A2105 WeakPolarHBondContact OD1-CB 3.31Å; N2103-A2105 PolarHBondContact OD1-N 3.26Å; N2103-L2106 HydrophobicContact CB-CD1 4.37Å; N2103-L2106 HydrophobicContact CB-CG 4.39Å; N2103-L2106 WeakPolarHBondContact ND2-CG 3.45Å; N2103-L2106 PolarHBondContact O-N 3.07Å; N2103-E2108 PolarHBondContact N-OE2 2.75Å; N2103-E2108 PolarHBondContact O-N 2.95Å
2104	Q	68.7	Low	58.4	Low	170 Å²	170	73.2 Å²	73.2	79%	0.794	43%	0.433	S	S	*	.	G	3₁₀ helix	trans	-56	-24.8	176.5	-63	-178	-72.2	0	0	113.2	C2102 L2106 G2107	C2102-Q2104 PolarHBondContact O-N 2.78Å; Q2104-L2106 PolarHBondContact O-N 3.07Å; Q2104-G2107 PolarHBondContact O-N 2.86Å; Q2104-G2107 VanDerWaalsContact O-N 3.12Å
2105	A	63.8	Low	58.9	Low	87 Å²	87	74.4 Å²	74.4	72%	0.719	43%	0.43	S	S	*	.	G	3₁₀ helix	trans	-71.5	-9.6	175	0	0	0	0	0	113.9	N2103	N2103-A2105 PolarHBondContact O-N 2.97Å; N2103-A2105 VanDerWaalsContact O-N 3.08Å; N2103-A2105 WeakPolarHBondContact OD1-CB 3.31Å; N2103-A2105 PolarHBondContact OD1-N 3.26Å
2106	L	69.4	Low	60.6	Low	22 Å²	22	69 Å²	69	12%	0.115	40%	0.403	C	S	.	.	G	3₁₀ helix	trans	-110.3	9.4	171.3	-58.3	-179.7	0	0	0	112.2	N2103 Q2104 E2108 E2127 T2128 C2131	N2103-L2106 HydrophobicContact CB-CD1 4.37Å; N2103-L2106 HydrophobicContact CB-CG 4.39Å; N2103-L2106 WeakPolarHBondContact ND2-CG 3.45Å; N2103-L2106 PolarHBondContact O-N 3.07Å; Q2104-L2106 PolarHBondContact O-N 3.07Å; L2106-E2108 VanDerWaalsContact C-N 3.29Å; L2106-E2108 HydrophobicContact CB-CG 4.33Å; L2106-E2108 PolarHBondContact O-N 2.04Å; L2106-E2127 WeakPolarHBondContact CD1-O 3.37Å; L2106-T2128 WeakPolarHBondContact CD2-O 2.82Å; L2106-C2131 PolarHBondContact O-N 3.18Å; L2106-C2131 PolarHBondContact O-SG 3.03Å
2107	G	68.1	Low	61.9	Low	33 Å²	33	65.1 Å²	65.1	34%	0.34	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.1	3.3	-174.4	0	0	0	0	0	115.1	Q2104 V2109 P2119	Q2104-G2107 PolarHBondContact O-N 2.86Å; Q2104-G2107 VanDerWaalsContact O-N 3.12Å; G2107-V2109 PolarHBondContact O-N 3.02Å; G2107-P2119 WeakPolarHBondContact O-CD 3.26Å
2108	E	69	Low	63.1	Low	26 Å²	26	64.9 Å²	64.9	12%	0.121	38%	0.378	C	S	.	.			trans	-65.7	133.7	-173.2	-65.5	-171.1	145.6	0	0	114	C2102 N2103 L2106 T2117 R2124	C2102-E2108 HydrophobicContact CB-CB 3.9Å; N2103-E2108 PolarHBondContact N-OE2 2.75Å; N2103-E2108 PolarHBondContact O-N 2.95Å; L2106-E2108 VanDerWaalsContact C-N 3.29Å; L2106-E2108 HydrophobicContact CB-CG 4.33Å; L2106-E2108 PolarHBondContact O-N 2.04Å; E2108-T2117 WeakPolarHBondContact CA-O 3.38Å; E2108-R2124 VanDerWaalsContact CG-NH1 3.32Å; E2108-R2124 IonicContact OE1-CZ 3.1Å; E2108-R2124 VanDerWaalsContact OE1-CZ 3.26Å; E2108-R2124 IonicContact OE1-NH1 2.69Å; E2108-R2124 PolarHBondContact OE1-NH1 3.43Å; E2108-R2124 IonicContact OE1-NH2 2.63Å; E2108-R2124 PolarHBondContact OE1-NH2 2.78Å
2109	V	70.8	Confident	63.5	Low	66 Å²	66	64.8 Å²	64.8	40%	0.4	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	143.4	170.3	-69.1	0	0	0	0	110.6	G2107 V2111 T2117	G2107-V2109 PolarHBondContact O-N 3.02Å; V2109-V2111 HydrophobicContact CG2-CG2 4.23Å; V2109-V2111 PolarHBondContact O-N 2.64Å; V2109-T2117 PolarHBondContact N-O 2.72Å; V2109-T2117 PolarHBondContact O-N 3.14Å; V2109-T2117 VanDerWaalsContact O-N 3.13Å
2110	C	65.2	Low	63.4	Low	55 Å²	55	63 Å²	63	37%	0.372	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	110.1	172.3	178.7	0	0	0	0	109.3	C2097 C2102 N2113 L2115	C2097-C2110 HydrophobicContact CB-CB 4.08Å; C2097-C2110 WeakPolarHBondContact CB-SG 3.4Å; C2097-C2110 WeakPolarHBondContact SG-CB 3.27Å; C2097-C2110 CovalentContact SG-SG 2.04Å; C2097-C2110 PolarHBondContact SG-SG 2.83Å; C2102-C2110 WeakPolarHBondContact SG-CA 3.27Å; C2102-C2110 VanDerWaalsContact SG-CB 3.51Å; C2110-N2113 VanDerWaalsContact SG-CA 3.55Å; C2110-L2115 CarbonylContact C-O 3.49Å; C2110-L2115 WeakPolarHBondContact CA-O 3.46Å
2111	V	52.9	Low	63.5	Low	16 Å²	16	60.1 Å²	60.1	10%	0.097	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	123.2	173.6	177.7	0	0	0	0	108.8	V2109 N2113 L2114 L2115 T2117	V2109-V2111 HydrophobicContact CG2-CG2 4.23Å; V2109-V2111 PolarHBondContact O-N 2.64Å; V2111-N2113 VanDerWaalsContact C-N 3.26Å; V2111-N2113 PolarHBondContact O-N 2.9Å; V2111-N2113 VanDerWaalsContact O-N 3.13Å; V2111-L2114 PolarHBondContact O-N 2.8Å; V2111-L2115 PolarHBondContact N-O 2.86Å; V2111-L2115 PolarHBondContact O-N 2.06Å; V2111-T2117 HydrophobicContact CB-CG2 4.14Å; V2111-T2117 HydrophobicContact CG2-CG2 3.56Å
2112	N	45.3	Very low	63.9	Low	12 Å²	12	53.8 Å²	53.8	6%	0.064	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	54.6	31.7	172.4	-61.5	-40.5	0	0	0	116.7	P1961 L2090 P2092 L2114	P1961-N2112 WeakPolarHBondContact CG-ND2 3.34Å; P1961-N2112 VanDerWaalsContact CG-OD1 3.25Å; P1961-N2112 WeakPolarHBondContact CG-OD1 3.34Å; L2090-N2112 HydrophobicContact CB-CB 3.68Å; L2090-N2112 WeakPolarHBondContact CB-ND2 3.43Å; L2090-N2112 HydrophobicContact CD1-CB 4.07Å; L2090-N2112 VanDerWaalsContact CD1-ND2 3.3Å; L2090-N2112 WeakPolarHBondContact CD1-ND2 3.39Å; L2090-N2112 HydrophobicContact CD2-CB 4.01Å; L2090-N2112 HydrophobicContact CG-CB 4.12Å; P2092-N2112 WeakPolarHBondContact CA-OD1 3.32Å; P2092-N2112 WeakPolarHBondContact CB-OD1 3.02Å; N2112-L2114 PolarHBondContact O-N 3.33Å
2113	N	54.3	Low	64	Low	33 Å²	33	53.3 Å²	53.3	18%	0.176	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	57.1	21.9	175.9	-71.6	-78.8	0	0	0	114.8	P2092 G2094 T2096 C2097 G2098 C2110 V2111	P2092-N2113 PolarHBondContact O-ND2 2.81Å; G2094-N2113 WeakPolarHBondContact O-CB 3.22Å; G2094-N2113 PolarHBondContact O-ND2 2.8Å; G2094-N2113 PolarHBondContact O-OD1 3.42Å; T2096-N2113 VanDerWaalsContact C-OD1 3.3Å; T2096-N2113 PolarHBondContact N-OD1 3.34Å; T2096-N2113 WeakPolarHBondContact O-CB 2.99Å; C2097-N2113 CarbonylContact C-O 3.55Å; C2097-N2113 WeakPolarHBondContact CA-O 3.32Å; G2098-N2113 PolarHBondContact N-O 2.82Å; G2098-N2113 VanDerWaalsContact N-O 3.08Å; C2110-N2113 VanDerWaalsContact SG-CA 3.55Å; V2111-N2113 VanDerWaalsContact C-N 3.26Å; V2111-N2113 PolarHBondContact O-N 2.9Å; V2111-N2113 VanDerWaalsContact O-N 3.13Å
2114	L	51.4	Low	63.8	Low	128 Å²	128	52.2 Å²	52.2	67%	0.67	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-138.4	-27.2	-180	-76	170.3	0	0	0	114.4	L2090 V2111 N2112	L2090-L2114 HydrophobicContact CD2-CD1 3.96Å; V2111-L2114 PolarHBondContact O-N 2.8Å; N2112-L2114 PolarHBondContact O-N 3.33Å
2115	L	60.9	Low	63.8	Low	64 Å²	64	46.1 Å²	46.1	34%	0.335	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	138.1	-177.3	-176.8	63.3	0	0	0	111.7	H2036 C2110 V2111 T2117	H2036-L2115 VanDerWaalsContact O-CD2 3.26Å; H2036-L2115 WeakPolarHBondContact O-CD2 3.15Å; C2110-L2115 CarbonylContact C-O 3.49Å; C2110-L2115 WeakPolarHBondContact CA-O 3.46Å; V2111-L2115 PolarHBondContact N-O 2.86Å; V2111-L2115 PolarHBondContact O-N 2.06Å; L2115-T2117 HydrophobicContact CD2-CG2 4.39Å
2116	C	73.4	Confident	63.7	Low	23 Å²	23	42.7 Å²	42.7	16%	0.155	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	120.4	164.9	-61.6	0	0	0	0	108.6	C2102	C2102-C2116 WeakPolarHBondContact CA-SG 3.15Å; C2102-C2116 HydrophobicContact CB-CB 3.59Å; C2102-C2116 WeakPolarHBondContact CB-SG 3.41Å; C2102-C2116 PolarHBondContact N-SG 2.82Å; C2102-C2116 WeakPolarHBondContact SG-CA 3.36Å; C2102-C2116 WeakPolarHBondContact SG-CB 3.25Å; C2102-C2116 CovalentContact SG-SG 2.04Å; C2102-C2116 PolarHBondContact SG-SG 3.4Å
2117	T	71	Confident	63.1	Low	27 Å²	27	45 Å²	45	17%	0.166	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	175.4	-177.4	-169.4	0	0	0	0	110.6	E2108 V2109 V2111 L2115	E2108-T2117 WeakPolarHBondContact CA-O 3.38Å; V2109-T2117 PolarHBondContact N-O 2.72Å; V2109-T2117 PolarHBondContact O-N 3.14Å; V2109-T2117 VanDerWaalsContact O-N 3.13Å; V2111-T2117 HydrophobicContact CB-CG2 4.14Å; V2111-T2117 HydrophobicContact CG2-CG2 3.56Å; L2115-T2117 HydrophobicContact CD2-CG2 4.39Å
2118	C	73.7	Confident	62.8	Low	14 Å²	14	45.2 Å²	45.2	10%	0.095	25%	0.253	C	S	.	.	P	Polyproline II helix	trans	-69.6	159.3	178.5	-71.9	0	0	0	0	112.8	Q2122 C2131	C2118-Q2122 HydrophobicContact CB-CB 4.31Å; C2118-Q2122 VanDerWaalsContact CB-O 3.25Å; C2118-Q2122 WeakPolarHBondContact CB-O 3.38Å; C2118-C2131 WeakPolarHBondContact CA-SG 3.15Å; C2118-C2131 HydrophobicContact CB-CB 3.7Å; C2118-C2131 WeakPolarHBondContact CB-SG 3.14Å; C2118-C2131 WeakPolarHBondContact SG-CB 3.2Å; C2118-C2131 CovalentContact SG-SG 2.04Å; C2118-C2131 PolarHBondContact SG-SG 3.33Å
2119	P	63.7	Low	62.7	Low	38 Å²	38	47.1 Å²	47.1	25%	0.247	26%	0.262	C	S	.	.	P	Polyproline II helix	trans	-58.1	154.2	165.3	-21.1	34.6	0	0	0	111.2	G2107 Q2122	G2107-P2119 WeakPolarHBondContact O-CD 3.26Å; P2119-Q2122 PolarHBondContact O-N 2.94Å
2120	Y	52.7	Low	62.8	Low	102 Å²	102	46.8 Å²	46.8	40%	0.4	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.7	141	174.5	-57.9	-74.9	0	0	0	110.8	H2036 N2047 Q2122	H2036-Y2120 AromaticContact NE2-CE1 3.95Å; N2047-Y2120 HydrophobicContact CB-CE1 4.08Å; N2047-Y2120 WeakPolarHBondContact ND2-CD2 2.91Å; N2047-Y2120 VanDerWaalsContact ND2-CE2 3.31Å; N2047-Y2120 WeakPolarHBondContact ND2-CE2 3.31Å; Y2120-Q2122 PolarHBondContact O-N 2.93Å
2121	G	57.8	Low	63.2	Low	61 Å²	61	44.9 Å²	44.9	63%	0.629	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	80.7	-12.1	-173	0	0	0	0	0	114.9	L2134	G2121-L2134 PolarHBondContact O-N 2.84Å
2122	Q	71.2	Confident	64.1	Low	62 Å²	62	47.6 Å²	47.6	29%	0.29	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	147.1	179.3	-61.7	-174.7	-8.6	0	0	112.6	C2118 P2119 Y2120 C2131 K2132 E2133	C2118-Q2122 HydrophobicContact CB-CB 4.31Å; C2118-Q2122 VanDerWaalsContact CB-O 3.25Å; C2118-Q2122 WeakPolarHBondContact CB-O 3.38Å; P2119-Q2122 PolarHBondContact O-N 2.94Å; Y2120-Q2122 PolarHBondContact O-N 2.93Å; Q2122-C2131 HydrophobicContact CB-CB 4Å; Q2122-K2132 CarbonylContact C-O 3.47Å; Q2122-K2132 WeakPolarHBondContact CA-O 3.14Å; Q2122-K2132 WeakPolarHBondContact CB-O 3.49Å; Q2122-E2133 HydrophobicContact CG-CG 3.95Å
2123	G	69.7	Low	65.4	Low	12 Å²	12	51.3 Å²	51.3	12%	0.124	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	-173.6	172.5	0	0	0	0	0	111.3	C2131 K2132	G2123-C2131 CarbonylContact O-C 3.43Å; G2123-C2131 WeakPolarHBondContact O-CA 3.04Å; G2123-K2132 PolarHBondContact N-O 3.07Å; G2123-K2132 PolarHBondContact O-N 3.13Å
2124	R	67.9	Low	66	Low	45 Å²	45	52 Å²	52	17%	0.17	28%	0.279	C	S	.	.			trans	-154.5	141.7	-175.6	57.2	-171.3	174.9	-175.2	1.6	109.8	E2108 E2126 H2129	E2108-R2124 VanDerWaalsContact CG-NH1 3.32Å; E2108-R2124 IonicContact OE1-CZ 3.1Å; E2108-R2124 VanDerWaalsContact OE1-CZ 3.26Å; E2108-R2124 IonicContact OE1-NH1 2.69Å; E2108-R2124 PolarHBondContact OE1-NH1 3.43Å; E2108-R2124 IonicContact OE1-NH2 2.63Å; E2108-R2124 PolarHBondContact OE1-NH2 2.78Å; R2124-E2126 WeakPolarHBondContact CB-O 3.04Å; R2124-E2126 VanDerWaalsContact CD-O 3.29Å; R2124-E2126 WeakPolarHBondContact CD-O 3.27Å; R2124-E2126 VanDerWaalsContact CG-O 3.3Å; R2124-E2126 WeakPolarHBondContact CG-O 3.16Å; R2124-E2126 PolarHBondContact O-N 2.92Å; R2124-H2129 HydrophobicContact CB-CB 4.23Å; R2124-H2129 WeakPolarHBondContact CD-O 3.25Å
2125	K	67.7	Low	66.9	Low	43 Å²	43	48.8 Å²	48.8	19%	0.187	26%	0.261	C	S	.	.	S	Bend	trans	-55.6	-40.7	176.9	-154.8	-167.7	-164.2	83	0	111.7	W2186 P2187 F2189	K2125-W2186 PolarHBondContact NZ-O 3.29Å; K2125-P2187 PolarHBondContact NZ-O 2.74Å; K2125-F2189 PolarHBondContact NZ-O 3.14Å
2126	E	62.3	Low	67.5	Low	15 Å²	15	48.9 Å²	48.9	7%	0.07	27%	0.267	C	S	.	.	S	Bend	trans	-146.5	164.1	178.2	-71.9	109.4	-134.1	0	0	111.1	A47 L48 R49 R2124 T2128 H2129	A47-E2126 VanDerWaalsContact CA-OE1 3.31Å; A47-E2126 WeakPolarHBondContact CA-OE1 3.07Å; A47-E2126 HydrophobicContact CB-CG 3.81Å; L48-E2126 PolarHBondContact N-OE2 2.66Å; R49-E2126 HydrophobicContact CB-CB 4.27Å; R49-E2126 WeakPolarHBondContact O-CA 3.43Å; R49-E2126 WeakPolarHBondContact O-CB 3.18Å; R49-E2126 WeakPolarHBondContact O-CG 3.38Å; R2124-E2126 WeakPolarHBondContact CB-O 3.04Å; R2124-E2126 VanDerWaalsContact CD-O 3.29Å; R2124-E2126 WeakPolarHBondContact CD-O 3.27Å; R2124-E2126 VanDerWaalsContact CG-O 3.3Å; R2124-E2126 WeakPolarHBondContact CG-O 3.16Å; R2124-E2126 PolarHBondContact O-N 2.92Å; E2126-T2128 PolarHBondContact O-N 3.37Å; E2126-H2129 PolarHBondContact O-N 3.42Å; E2126-H2129 IonicContact OE2-CE1 2.8Å; E2126-H2129 PolarHBondContact OE2-CE1 2.95Å; E2126-H2129 IonicContact OE2-ND1 2.75Å; E2126-H2129 PolarHBondContact OE2-ND1 2.64Å
2127	E	57.3	Low	67.6	Low	70 Å²	70	49.1 Å²	49.1	33%	0.327	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-4.2	179	-32.9	161.5	140.8	0	0	113.9	R49 Q50 L2106	R49-E2127 HydrophobicContact CB-CB 3.79Å; R49-E2127 HydrophobicContact CB-CG 4.14Å; R49-E2127 HydrophobicContact CG-CB 4.34Å; R49-E2127 PolarHBondContact NH1-O 3.09Å; R49-E2127 PolarHBondContact O-N 2.72Å; Q50-E2127 HydrophobicContact CG-CG 4.25Å; Q50-E2127 VanDerWaalsContact CG-OE1 3.23Å; Q50-E2127 WeakPolarHBondContact CG-OE1 3.43Å; Q50-E2127 WeakPolarHBondContact CG-OE2 3.43Å; Q50-E2127 PolarHBondContact NE2-OE1 3.3Å; L2106-E2127 WeakPolarHBondContact CD1-O 3.37Å
2128	T	60.3	Low	67.9	Low	37 Å²	37	51.2 Å²	51.2	23%	0.227	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.3	-25.2	170.7	24.4	0	0	0	0	113	L48 R49 L2106 E2126	L48-T2128 WeakPolarHBondContact O-CG2 3.33Å; L48-T2128 PolarHBondContact O-OG1 2.92Å; L48-T2128 VanDerWaalsContact O-OG1 3.14Å; R49-T2128 HydrophobicContact CB-CG2 4.2Å; R49-T2128 HydrophobicContact CG-CG2 3.87Å; R49-T2128 PolarHBondContact N-OG1 2.03Å; L2106-T2128 WeakPolarHBondContact CD2-O 2.82Å; E2126-T2128 PolarHBondContact O-N 3.37Å
2129	H	68.2	Low	68.2	Low	67 Å²	67	50.6 Å²	50.6	31%	0.31	27%	0.273	S	S	.	.	S	Bend	trans	-78.5	144.2	-177.6	-80.1	93.9	0	0	0	109.8	R2124 E2126	R2124-H2129 HydrophobicContact CB-CB 4.23Å; R2124-H2129 WeakPolarHBondContact CD-O 3.25Å; E2126-H2129 PolarHBondContact O-N 3.42Å; E2126-H2129 IonicContact OE2-CE1 2.8Å; E2126-H2129 PolarHBondContact OE2-CE1 2.95Å; E2126-H2129 IonicContact OE2-ND1 2.75Å; E2126-H2129 PolarHBondContact OE2-ND1 2.64Å
2130	P	72.1	Confident	68.8	Low	58 Å²	58	50.8 Å²	50.8	38%	0.377	28%	0.275	S	S	.	.	P	Polyproline II helix	trans	-63.1	148.2	171.8	29.5	-34.9	0	0	0	109.6	K2132	P2130-K2132 PolarHBondContact O-N 3.31Å
2131	C	73.8	Confident	70.3	Confident	15 Å²	15	46 Å²	46	10%	0.101	26%	0.256	C	S	.	.	P	Polyproline II helix	trans	-61.7	128.9	171.6	-58.4	0	0	0	0	110	L2106 C2118 Q2122 G2123	L2106-C2131 PolarHBondContact O-N 3.18Å; L2106-C2131 PolarHBondContact O-SG 3.03Å; C2118-C2131 WeakPolarHBondContact CA-SG 3.15Å; C2118-C2131 HydrophobicContact CB-CB 3.7Å; C2118-C2131 WeakPolarHBondContact CB-SG 3.14Å; C2118-C2131 WeakPolarHBondContact SG-CB 3.2Å; C2118-C2131 CovalentContact SG-SG 2.04Å; C2118-C2131 PolarHBondContact SG-SG 3.33Å; Q2122-C2131 HydrophobicContact CB-CB 4Å; G2123-C2131 CarbonylContact O-C 3.43Å; G2123-C2131 WeakPolarHBondContact O-CA 3.04Å
2132	K	72.4	Confident	71.4	Confident	74 Å²	74	43.1 Å²	43.1	32%	0.322	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	151.2	-178.8	-76.4	161	166.7	-97.5	0	108.5	Q2122 G2123 P2130 E2222	Q2122-K2132 CarbonylContact C-O 3.47Å; Q2122-K2132 WeakPolarHBondContact CA-O 3.14Å; Q2122-K2132 WeakPolarHBondContact CB-O 3.49Å; G2123-K2132 PolarHBondContact N-O 3.07Å; G2123-K2132 PolarHBondContact O-N 3.13Å; P2130-K2132 PolarHBondContact O-N 3.31Å; K2132-E2222 WeakPolarHBondContact CD-OE1 3.35Å; K2132-E2222 IonicContact NZ-OE1 2.88Å; K2132-E2222 PolarHBondContact NZ-OE1 3.35Å; K2132-E2222 IonicContact NZ-OE2 2.79Å; K2132-E2222 PolarHBondContact NZ-OE2 3.34Å
2133	E	72.4	Confident	72	Confident	89 Å²	89	40.1 Å²	40.1	42%	0.416	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	139.7	176.4	-71.8	-177.4	-166.2	0	0	111.3	Q2122 K2223	Q2122-E2133 HydrophobicContact CG-CG 3.95Å; E2133-K2223 HydrophobicContact CB-CB 4Å; E2133-K2223 HydrophobicContact CB-CD 3.97Å; E2133-K2223 PolarHBondContact O-N 2.9Å; E2133-K2223 VanDerWaalsContact OE2-CD 3.23Å; E2133-K2223 WeakPolarHBondContact OE2-CD 3.44Å; E2133-K2223 IonicContact OE2-NZ 2.64Å; E2133-K2223 PolarHBondContact OE2-NZ 2.65Å
2134	L	65.5	Low	72.3	Confident	47 Å²	47	39.6 Å²	39.6	25%	0.246	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	142.8	-178.1	-56.6	-174.9	0	0	0	111.5	G2121 I2190 Y2220 F2221	G2121-L2134 PolarHBondContact O-N 2.84Å; L2134-I2190 HydrophobicContact CD2-CB 4.34Å; L2134-I2190 HydrophobicContact CD2-CD1 3.4Å; L2134-I2190 HydrophobicContact CD2-CG1 4.44Å; L2134-I2190 HydrophobicContact CD2-CG2 3.95Å; L2134-Y2220 HydrophobicContact CB-CD1 4.43Å; L2134-Y2220 HydrophobicContact CD1-CD1 3.91Å; L2134-F2221 WeakPolarHBondContact CA-O 3.09Å
2135	Q	71.9	Confident	72.9	Confident	62 Å²	62	41.5 Å²	41.5	29%	0.29	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	143.7	160.3	-177.7	171.4	7	0	0	107.5	Y2137 Y2220 F2221 K2223	Q2135-Y2137 HydrophobicContact CG-CE2 4.44Å; Q2135-Y2137 PolarHBondContact NE2-OH 2.81Å; Q2135-Y2137 VanDerWaalsContact NE2-OH 3.09Å; Q2135-Y2220 WeakPolarHBondContact O-CA 3.04Å; Q2135-F2221 PolarHBondContact N-O 2.89Å; Q2135-F2221 PolarHBondContact O-N 3.32Å; Q2135-K2223 HydrophobicContact CB-CB 4.22Å
2136	S	73.1	Confident	73.5	Confident	65 Å²	65	41.2 Å²	41.2	46%	0.455	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	135.5	-169.3	59.2	0	0	0	0	112.8	V2219	S2136-V2219 CarbonylContact C-O 2.77Å; S2136-V2219 WeakPolarHBondContact CA-O 3.04Å
2137	Y	75.8	Confident	74.2	Confident	28 Å²	28	41.5 Å²	41.5	11%	0.11	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	136.5	178.1	-54	-73.9	0	0	0	109.7	Q2135 T2218 V2219 F2221 L2226 R2229 A2232	Q2135-Y2137 HydrophobicContact CG-CE2 4.44Å; Q2135-Y2137 PolarHBondContact NE2-OH 2.81Å; Q2135-Y2137 VanDerWaalsContact NE2-OH 3.09Å; Y2137-T2218 CarbonylContact O-C 3.44Å; Y2137-T2218 WeakPolarHBondContact O-CA 3.37Å; Y2137-V2219 PolarHBondContact N-O 3.24Å; Y2137-V2219 WeakPolarHBondContact O-CG2 3.38Å; Y2137-V2219 PolarHBondContact O-N 3.3Å; Y2137-F2221 HydrophobicContact CD2-CD2 4.14Å; Y2137-F2221 HydrophobicContact CD2-CE2 4.34Å; Y2137-F2221 HydrophobicContact CE2-CD2 4.38Å; Y2137-L2226 HydrophobicContact CD2-CD1 4.34Å; Y2137-L2226 HydrophobicContact CE2-CB 4.02Å; Y2137-L2226 HydrophobicContact CE2-CD1 3.86Å; Y2137-L2226 PolarHBondContact OH-O 2.86Å; Y2137-R2229 HydrophobicContact CD1-CB 3.62Å; Y2137-R2229 HydrophobicContact CE1-CB 4.17Å; Y2137-R2229 HydrophobicContact CG-CB 4.15Å; Y2137-A2232 HydrophobicContact CD2-CB 4.2Å
2138	T	76	Confident	74.8	Confident	72 Å²	72	46.3 Å²	46.3	44%	0.442	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	131.1	173.9	-63	0	0	0	0	109.1	N2216 F2217 T2218	T2138-N2216 WeakPolarHBondContact CG2-OD1 3.45Å; T2138-F2217 CarbonylContact C-O 3.42Å; T2138-F2217 WeakPolarHBondContact CA-O 3.2Å; T2138-T2218 PolarHBondContact OG1-OG1 3.34Å
2139	I	79.8	Confident	75.5	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	129.6	-169.8	-57.2	-179.4	0	0	0	108.6	F2217 V2219 A2232 W2233	I2139-F2217 HydrophobicContact CB-CE1 4.08Å; I2139-F2217 HydrophobicContact CB-CE2 3.96Å; I2139-F2217 HydrophobicContact CB-CZ 3.65Å; I2139-F2217 HydrophobicContact CD1-CE2 4.5Å; I2139-F2217 HydrophobicContact CG2-CE1 4.04Å; I2139-F2217 HydrophobicContact CG2-CE2 4.34Å; I2139-F2217 HydrophobicContact CG2-CZ 3.6Å; I2139-F2217 PolarHBondContact N-O 2.04Å; I2139-F2217 WeakPolarHBondContact O-CD1 3.43Å; I2139-F2217 WeakPolarHBondContact O-CE1 3.18Å; I2139-F2217 PolarHBondContact O-N 3.14Å; I2139-V2219 HydrophobicContact CD1-CG2 3.61Å; I2139-V2219 HydrophobicContact CG1-CG2 4.26Å; I2139-A2232 HydrophobicContact CD1-CB 3.87Å; I2139-W2233 HydrophobicContact CD1-CB 4.49Å; I2139-W2233 HydrophobicContact CG2-CB 4.17Å; I2139-W2233 HydrophobicContact CG2-CG 4.26Å
2140	P	77.9	Confident	75.7	Confident	43 Å²	43	50.2 Å²	50.2	28%	0.279	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	146.1	166.5	35.5	-33	0	0	0	111.3	L2214 F2215 P2261	P2140-L2214 HydrophobicContact CB-CD1 4.21Å; P2140-L2214 HydrophobicContact CB-CG 4.44Å; P2140-F2215 CarbonylContact C-O 3.56Å; P2140-F2215 WeakPolarHBondContact CA-O 3.25Å; P2140-P2261 HydrophobicContact CG-CB 3.67Å; P2140-P2261 HydrophobicContact CG-CG 4.01Å
2141	L	84	Confident	75.9	Confident	0 Å²	0	48.2 Å²	48.2	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	128.9	175.5	-170.4	68.8	0	0	0	110.7	F2172 F2215 F2217 L2236 I2247 I2254 Q2258	L2141-F2172 HydrophobicContact CD2-CE2 4.22Å; L2141-F2172 HydrophobicContact CD2-CZ 4.33Å; L2141-F2215 PolarHBondContact N-O 2.7Å; L2141-F2215 PolarHBondContact O-N 3.42Å; L2141-F2217 HydrophobicContact CB-CE1 3.71Å; L2141-F2217 HydrophobicContact CB-CZ 4.37Å; L2141-L2236 HydrophobicContact CD2-CD2 4.29Å; L2141-I2247 HydrophobicContact CD2-CD1 3.71Å; L2141-I2247 HydrophobicContact CD2-CG1 4.39Å; L2141-I2254 HydrophobicContact CD1-CG2 4Å; L2141-I2254 HydrophobicContact CD2-CG2 3.88Å; L2141-I2254 HydrophobicContact CG-CG2 3.77Å; L2141-Q2258 HydrophobicContact CD1-CG 3.96Å
2142	L	81.2	Confident	75.5	Confident	1 Å²	1	53.9 Å²	53.9	1%	0.005	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	111.6	-179.9	176.4	56.9	0	0	0	110.8	A2144 P2200 W2205 I2209 L2213 L2214 I2254 Q2258	L2142-A2144 PolarHBondContact O-N 3.38Å; L2142-P2200 HydrophobicContact CD1-CB 3.84Å; L2142-P2200 HydrophobicContact CD1-CG 3.85Å; L2142-P2200 HydrophobicContact CD2-CB 4.3Å; L2142-W2205 HydrophobicContact CB-CH2 3.63Å; L2142-W2205 HydrophobicContact CB-CZ3 3.45Å; L2142-W2205 VanDerWaalsContact CB-CZ3 3.45Å; L2142-W2205 HydrophobicContact CD2-CE3 3.81Å; L2142-W2205 HydrophobicContact CD2-CH2 4.27Å; L2142-W2205 HydrophobicContact CD2-CZ3 3.42Å; L2142-W2205 VanDerWaalsContact CD2-CZ3 3.42Å; L2142-W2205 HydrophobicContact CG-CZ3 4.07Å; L2142-I2209 HydrophobicContact CD2-CG2 3.43Å; L2142-I2209 VanDerWaalsContact CD2-CG2 3.43Å; L2142-L2213 WeakPolarHBondContact CD1-O 3.46Å; L2142-L2214 HydrophobicContact CB-CD1 4.09Å; L2142-I2254 WeakPolarHBondContact O-CA 3.35Å; L2142-Q2258 VanDerWaalsContact CA-OE1 3.3Å; L2142-Q2258 VanDerWaalsContact CB-OE1 3.3Å; L2142-Q2258 PolarHBondContact O-OE1 2.9Å
2143	V	82.3	Confident	75.4	Confident	0 Å²	0	53.2 Å²	53.2	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	100.1	177.1	-170.8	0	0	0	0	108.6	L2151 F2172 G2212 L2213 F2215 I2247 L2252 F2253	V2143-L2151 HydrophobicContact CB-CD1 4.32Å; V2143-L2151 HydrophobicContact CG1-CD1 3.78Å; V2143-F2172 HydrophobicContact CG2-CD2 3.89Å; V2143-F2172 HydrophobicContact CG2-CE2 3.69Å; V2143-G2212 CarbonylContact O-C 2.83Å; V2143-G2212 WeakPolarHBondContact O-CA 3.21Å; V2143-L2213 PolarHBondContact N-O 3.05Å; V2143-L2213 PolarHBondContact O-N 2.91Å; V2143-F2215 HydrophobicContact CB-CD2 3.85Å; V2143-F2215 HydrophobicContact CB-CE2 3.67Å; V2143-F2215 HydrophobicContact CG1-CE2 4.36Å; V2143-F2215 HydrophobicContact CG2-CD2 3.32Å; V2143-F2215 HydrophobicContact CG2-CE2 3.55Å; V2143-F2215 HydrophobicContact CG2-CG 4.12Å; V2143-F2215 HydrophobicContact CG2-CZ 4.49Å; V2143-I2247 HydrophobicContact CG1-CD1 4.42Å; V2143-I2247 HydrophobicContact CG2-CD1 3.58Å; V2143-L2252 HydrophobicContact CG1-CB 3.68Å; V2143-L2252 HydrophobicContact CG1-CD1 4.35Å; V2143-L2252 HydrophobicContact CG1-CD2 4.19Å; V2143-L2252 HydrophobicContact CG1-CG 4.26Å; V2143-F2253 CarbonylContact C-O 3.59Å; V2143-F2253 WeakPolarHBondContact CG1-O 3.17Å
2144	A	76.6	Confident	75.2	Confident	0 Å²	0	52.2 Å²	52.2	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	-35.1	-177.5	0	0	0	0	0	113.1	L2142 L2150 L2151 F2253 D2255	L2142-A2144 PolarHBondContact O-N 3.38Å; A2144-L2150 WeakPolarHBondContact O-CD1 3.47Å; A2144-L2151 PolarHBondContact O-N 3.04Å; A2144-F2253 PolarHBondContact N-O 2.91Å; A2144-D2255 HydrophobicContact CB-CB 4.03Å
2145	Y	79.9	Confident	75	Confident	86 Å²	86	55.1 Å²	55.1	34%	0.337	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	155.7	-172.4	-52.7	-99.8	0	0	0	115	G2147 I2149 L2150 L2252 F2253	Y2145-G2147 WeakPolarHBondContact CB-O 3.15Å; Y2145-I2149 CarbonylContact C-O 3.52Å; Y2145-I2149 WeakPolarHBondContact CA-O 3.06Å; Y2145-L2150 HydrophobicContact CD1-CB 3.99Å; Y2145-L2150 HydrophobicContact CD1-CD1 3.88Å; Y2145-L2150 HydrophobicContact CE1-CB 3.89Å; Y2145-L2150 HydrophobicContact CE1-CD1 3.36Å; Y2145-L2150 HydrophobicContact CE1-CG 4.24Å; Y2145-L2150 HydrophobicContact CE2-CD1 4.07Å; Y2145-L2150 HydrophobicContact CG-CD1 4.42Å; Y2145-L2150 VanDerWaalsContact CZ-CD1 3.44Å; Y2145-L2252 WeakPolarHBondContact O-CA 3.04Å; Y2145-F2253 PolarHBondContact N-O 2.98Å; Y2145-F2253 PolarHBondContact O-N 2.97Å
2146	N	81.9	Confident	74.6	Confident	36 Å²	36	54.9 Å²	54.9	19%	0.193	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	95.6	161.9	-173.9	-17	0	0	0	109.5	I2149 L2151 M2171 R2251 L2252	N2146-I2149 PolarHBondContact N-O 3.3Å; N2146-I2149 WeakPolarHBondContact O-CB 3.18Å; N2146-I2149 PolarHBondContact O-N 3.05Å; N2146-L2151 HydrophobicContact CB-CD1 4.19Å; N2146-L2151 HydrophobicContact CB-CD2 3.92Å; N2146-L2151 HydrophobicContact CB-CG 4.1Å; N2146-M2171 WeakPolarHBondContact OD1-CE 3.06Å; N2146-R2251 CarbonylContact C-O 3.32Å; N2146-R2251 VanDerWaalsContact CA-O 3.24Å; N2146-R2251 WeakPolarHBondContact CA-O 3.09Å; N2146-R2251 WeakPolarHBondContact OD1-CB 3.37Å; N2146-L2252 HydrophobicContact CB-CD2 3.93Å
2147	G	76.4	Confident	74.3	Confident	21 Å²	21	53.1 Å²	53.1	22%	0.216	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	66.6	-137.4	-164.7	0	0	0	0	0	110	Y2145 I2149 R2251	Y2145-G2147 WeakPolarHBondContact CB-O 3.15Å; G2147-I2149 PolarHBondContact O-N 2.79Å; G2147-R2251 PolarHBondContact N-O 2.79Å
2148	D	70.4	Confident	73	Confident	171 Å²	171	55.7 Å²	55.7	91%	0.914	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.9	5.4	174.9	-38.5	-79.7	0	0	0	113.2
2149	I	73.7	Confident	71.9	Confident	120 Å²	120	54.6 Å²	54.6	62%	0.615	30%	0.298	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.6	109.1	-173.9	-52.1	177.1	0	0	0	109.5	Y2145 N2146 G2147 L2151	Y2145-I2149 CarbonylContact C-O 3.52Å; Y2145-I2149 WeakPolarHBondContact CA-O 3.06Å; N2146-I2149 PolarHBondContact N-O 3.3Å; N2146-I2149 WeakPolarHBondContact O-CB 3.18Å; N2146-I2149 PolarHBondContact O-N 3.05Å; G2147-I2149 PolarHBondContact O-N 2.79Å; I2149-L2151 PolarHBondContact O-N 2.65Å
2150	L	72.8	Confident	70.7	Confident	66 Å²	66	58.4 Å²	58.4	35%	0.346	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.4	118.4	170.8	-172.6	77.5	0	0	0	109.8	A2144 Y2145	A2144-L2150 WeakPolarHBondContact O-CD1 3.47Å; Y2145-L2150 HydrophobicContact CD1-CB 3.99Å; Y2145-L2150 HydrophobicContact CD1-CD1 3.88Å; Y2145-L2150 HydrophobicContact CE1-CB 3.89Å; Y2145-L2150 HydrophobicContact CE1-CD1 3.36Å; Y2145-L2150 HydrophobicContact CE1-CG 4.24Å; Y2145-L2150 HydrophobicContact CE2-CD1 4.07Å; Y2145-L2150 HydrophobicContact CG-CD1 4.42Å; Y2145-L2150 VanDerWaalsContact CZ-CD1 3.44Å
2151	L	75.6	Confident	69.6	Low	17 Å²	17	61.3 Å²	61.3	9%	0.089	34%	0.337	C	S	.	.			trans	-71.7	149.5	172.6	-68.4	167.8	0	0	0	109.2	V2143 A2144 N2146 I2149 L2168 G2212 L2213 L2252	V2143-L2151 HydrophobicContact CB-CD1 4.32Å; V2143-L2151 HydrophobicContact CG1-CD1 3.78Å; A2144-L2151 PolarHBondContact O-N 3.04Å; N2146-L2151 HydrophobicContact CB-CD1 4.19Å; N2146-L2151 HydrophobicContact CB-CD2 3.92Å; N2146-L2151 HydrophobicContact CB-CG 4.1Å; I2149-L2151 PolarHBondContact O-N 2.65Å; L2151-L2168 HydrophobicContact CD2-CD1 4.46Å; L2151-L2168 HydrophobicContact CD2-CD2 4.28Å; L2151-G2212 VanDerWaalsContact O-CA 3.32Å; L2151-G2212 WeakPolarHBondContact O-CA 3.29Å; L2151-G2212 PolarHBondContact O-N 2.83Å; L2151-L2213 HydrophobicContact CB-CD1 4.24Å; L2151-L2213 HydrophobicContact CB-CG 4.13Å; L2151-L2213 HydrophobicContact CD1-CD1 4.27Å; L2151-L2213 HydrophobicContact CD2-CD1 4.2Å; L2151-L2213 HydrophobicContact CG-CD1 4.48Å; L2151-L2252 HydrophobicContact CD1-CD2 4.28Å
2152	K	66.3	Low	68.5	Low	134 Å²	134	62.2 Å²	62.2	58%	0.583	34%	0.343	S	S	*	.	B	Isolated β-bridge	trans	-144	144.4	172.5	-67.2	-167.2	178.3	-169.6	0	108.8	D2154 F2157	K2152-D2154 PolarHBondContact O-N 3.43Å; K2152-F2157 WeakPolarHBondContact O-CE2 3.29Å
2153	F	70	Confident	67.9	Low	60 Å²	60	67 Å²	67	26%	0.263	38%	0.375	S	S	.	.			trans	-61.1	132.4	175.5	-164.2	-97.8	0	0	0	111.9	S2158 L2198 D2199 G2212 L2213	F2153-S2158 WeakPolarHBondContact CZ-OG 3.47Å; F2153-L2198 VanDerWaalsContact CD2-C 3.47Å; F2153-L2198 WeakPolarHBondContact CD2-O 3.42Å; F2153-D2199 HydrophobicContact CB-CB 4.16Å; F2153-D2199 HydrophobicContact CD1-CB 3.59Å; F2153-D2199 HydrophobicContact CD2-CB 3.93Å; F2153-D2199 HydrophobicContact CE1-CB 3.87Å; F2153-D2199 HydrophobicContact CE2-CB 4.2Å; F2153-D2199 HydrophobicContact CG-CB 3.6Å; F2153-D2199 HydrophobicContact CZ-CB 4.15Å; F2153-G2212 PolarHBondContact N-O 2.89Å; F2153-L2213 VanDerWaalsContact CA-CD2 3.5Å; F2153-L2213 HydrophobicContact CB-CD2 4.06Å; F2153-L2213 HydrophobicContact CD2-CD2 3.72Å; F2153-L2213 HydrophobicContact CG-CD2 4.32Å
2154	D	67.8	Low	67.2	Low	68 Å²	68	70.3 Å²	70.3	36%	0.364	40%	0.395	S	S	.	.			trans	-139.8	144.2	170.3	170.4	34.6	0	0	0	107.4	K2152 T2156 F2157	K2152-D2154 PolarHBondContact O-N 3.43Å; D2154-T2156 PolarHBondContact O-N 2.93Å; D2154-T2156 WeakPolarHBondContact OD2-CB 3.39Å; D2154-T2156 VanDerWaalsContact OD2-CG2 3.24Å; D2154-T2156 WeakPolarHBondContact OD2-CG2 3.48Å; D2154-T2156 PolarHBondContact OD2-N 3.35Å; D2154-T2156 PolarHBondContact OD2-OG1 3.14Å; D2154-F2157 HydrophobicContact CB-CD2 4.05Å; D2154-F2157 HydrophobicContact CB-CE2 4.01Å; D2154-F2157 WeakPolarHBondContact O-CD2 3.31Å; D2154-F2157 PolarHBondContact O-N 2.93Å
2155	T	62.4	Low	66.8	Low	107 Å²	107	70.9 Å²	70.9	66%	0.656	40%	0.398	S	S	*	.	G	3₁₀ helix	trans	-49.8	-22.2	174.4	58.6	0	0	0	0	114.7	F2157 S2158	T2155-F2157 VanDerWaalsContact C-N 3.31Å; T2155-F2157 PolarHBondContact O-N 3.05Å; T2155-S2158 WeakPolarHBondContact O-CB 3.14Å; T2155-S2158 PolarHBondContact O-N 3.36Å
2156	T	62.5	Low	66.4	Low	58 Å²	58	69.9 Å²	69.9	36%	0.356	40%	0.401	S	S	.	.	G	3₁₀ helix	trans	-73.4	-18.1	175	66.3	0	0	0	0	114.1	D2154 S2158 S2162	D2154-T2156 PolarHBondContact O-N 2.93Å; D2154-T2156 WeakPolarHBondContact OD2-CB 3.39Å; D2154-T2156 VanDerWaalsContact OD2-CG2 3.24Å; D2154-T2156 WeakPolarHBondContact OD2-CG2 3.48Å; D2154-T2156 PolarHBondContact OD2-N 3.35Å; D2154-T2156 PolarHBondContact OD2-OG1 3.14Å; T2156-S2158 VanDerWaalsContact C-N 3.33Å; T2156-S2162 WeakPolarHBondContact O-CB 3.16Å; T2156-S2162 PolarHBondContact O-OG 2.75Å
2157	F	67.4	Low	66.2	Low	28 Å²	28	74 Å²	74	12%	0.123	42%	0.419	C	S	.	.	G	3₁₀ helix	trans	-80.5	-14.3	169.4	-55.8	-62.7	0	0	0	112.6	K2152 D2154 T2155 S2159 N2165 L2168 L2213	K2152-F2157 WeakPolarHBondContact O-CE2 3.29Å; D2154-F2157 HydrophobicContact CB-CD2 4.05Å; D2154-F2157 HydrophobicContact CB-CE2 4.01Å; D2154-F2157 WeakPolarHBondContact O-CD2 3.31Å; D2154-F2157 PolarHBondContact O-N 2.93Å; T2155-F2157 VanDerWaalsContact C-N 3.31Å; T2155-F2157 PolarHBondContact O-N 3.05Å; F2157-S2159 PolarHBondContact O-N 3.45Å; F2157-N2165 HydrophobicContact CD1-CB 4.35Å; F2157-N2165 PolarHBondContact O-ND2 3.06Å; F2157-N2165 PolarHBondContact O-OD1 3.01Å; F2157-L2168 HydrophobicContact CD1-CD1 3.77Å; F2157-L2168 HydrophobicContact CE1-CD1 3.37Å; F2157-L2168 HydrophobicContact CZ-CD1 4.06Å; F2157-L2213 HydrophobicContact CD2-CD1 4.2Å; F2157-L2213 HydrophobicContact CD2-CD2 3.77Å; F2157-L2213 HydrophobicContact CE2-CD1 4.21Å; F2157-L2213 HydrophobicContact CE2-CD2 4.21Å; F2157-L2213 HydrophobicContact CG-CD1 4.36Å; F2157-L2213 HydrophobicContact CG-CD2 4.33Å; F2157-L2213 HydrophobicContact CZ-CD1 4.38Å
2158	S	47.4	Very low	66.4	Low	81 Å²	81	73.3 Å²	73.3	57%	0.566	41%	0.41	S	S	*	.	G	3₁₀ helix	trans	-78.3	11.7	171.2	-43.9	0	0	0	0	113.5	F2153 T2155 T2156	F2153-S2158 WeakPolarHBondContact CZ-OG 3.47Å; T2155-S2158 WeakPolarHBondContact O-CB 3.14Å; T2155-S2158 PolarHBondContact O-N 3.36Å; T2156-S2158 VanDerWaalsContact C-N 3.33Å
2159	S	53	Low	66.9	Low	50 Å²	50	67.7 Å²	67.7	35%	0.35	38%	0.378	S	S	.	.			trans	-132.4	115.5	177.6	-172.1	0	0	0	0	111.1	F2157 S2161 S2162 N2165	F2157-S2159 PolarHBondContact O-N 3.45Å; S2159-S2161 PolarHBondContact O-N 3.38Å; S2159-S2161 VanDerWaalsContact O-N 3.07Å; S2159-S2161 PolarHBondContact OG-OG 2.81Å; S2159-S2162 WeakPolarHBondContact O-CB 3.24Å; S2159-S2162 PolarHBondContact O-N 2.03Å; S2159-S2162 VanDerWaalsContact O-N 3.1Å; S2159-N2165 VanDerWaalsContact C-ND2 3.29Å; S2159-N2165 PolarHBondContact O-ND2 2.76Å
2160	E	55.2	Low	67.1	Low	79 Å²	79	65.5 Å²	65.5	37%	0.369	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.4	-29.2	176	-62.1	-171.5	-179.8	0	0	113.2	I1973 R2034 S2162 T2166	I1973-E2160 WeakPolarHBondContact CG2-OE1 3.01Å; R2034-E2160 IonicContact NH2-OE2 2.67Å; R2034-E2160 PolarHBondContact NH2-OE2 2.89Å; E2160-S2162 VanDerWaalsContact C-N 3.26Å; E2160-S2162 PolarHBondContact O-N 3.27Å; E2160-T2166 PolarHBondContact O-OG1 3.22Å
2161	S	56	Low	67.5	Low	105 Å²	105	64 Å²	64	73%	0.734	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.2	-6.8	-177.3	71.5	0	0	0	0	115	S2159	S2159-S2161 PolarHBondContact O-N 3.38Å; S2159-S2161 VanDerWaalsContact O-N 3.07Å; S2159-S2161 PolarHBondContact OG-OG 2.81Å
2162	S	60.3	Low	68.1	Low	18 Å²	18	63.1 Å²	63.1	13%	0.126	36%	0.355	C	S	.	.			trans	-78.2	125.5	179.4	179.7	0	0	0	0	110.7	T2156 S2159 E2160 T2164 N2165 T2166	T2156-S2162 WeakPolarHBondContact O-CB 3.16Å; T2156-S2162 PolarHBondContact O-OG 2.75Å; S2159-S2162 WeakPolarHBondContact O-CB 3.24Å; S2159-S2162 PolarHBondContact O-N 2.03Å; S2159-S2162 VanDerWaalsContact O-N 3.1Å; E2160-S2162 VanDerWaalsContact C-N 3.26Å; E2160-S2162 PolarHBondContact O-N 3.27Å; S2162-T2164 VanDerWaalsContact C-N 3.28Å; S2162-T2164 PolarHBondContact O-N 2.86Å; S2162-T2164 PolarHBondContact OG-OG1 2.99Å; S2162-N2165 WeakPolarHBondContact O-CA 3.24Å; S2162-N2165 VanDerWaalsContact O-CB 3.26Å; S2162-N2165 WeakPolarHBondContact O-CB 3.28Å; S2162-N2165 PolarHBondContact O-N 2.95Å; S2162-T2166 PolarHBondContact O-N 3.07Å; S2162-T2166 PolarHBondContact O-OG1 2.87Å
2163	P	67.3	Low	68.9	Low	103 Å²	103	58 Å²	58	67%	0.669	34%	0.335	S	S	*	.	H	α-helix	trans	-64.8	-30.2	-174.7	26	-34.6	0	0	0	113.2	N2165 E2167	P2163-N2165 VanDerWaalsContact C-N 3.31Å; P2163-E2167 WeakPolarHBondContact O-CB 3.34Å; P2163-E2167 PolarHBondContact O-N 2.86Å
2164	T	69	Low	69.5	Low	68 Å²	68	60 Å²	60	42%	0.417	34%	0.343	S	S	.	.	H	α-helix	trans	-71.5	-25.5	171.8	33	0	0	0	0	112.6	S2162 L2168	S2162-T2164 VanDerWaalsContact C-N 3.28Å; S2162-T2164 PolarHBondContact O-N 2.86Å; S2162-T2164 PolarHBondContact OG-OG1 2.99Å; T2164-L2168 VanDerWaalsContact O-CG 3.28Å; T2164-L2168 WeakPolarHBondContact O-CG 2.96Å; T2164-L2168 PolarHBondContact O-N 2.83Å
2165	N	68.6	Low	70.2	Confident	12 Å²	12	56.7 Å²	56.7	6%	0.064	33%	0.326	C	S	.	.	H	α-helix	trans	-74.6	-47.1	173	-163.3	23.1	0	0	0	110.5	F2157 S2159 S2162 P2163 E2167 L2168 E2169 I2197	F2157-N2165 HydrophobicContact CD1-CB 4.35Å; F2157-N2165 PolarHBondContact O-ND2 3.06Å; F2157-N2165 PolarHBondContact O-OD1 3.01Å; S2159-N2165 VanDerWaalsContact C-ND2 3.29Å; S2159-N2165 PolarHBondContact O-ND2 2.76Å; S2162-N2165 WeakPolarHBondContact O-CA 3.24Å; S2162-N2165 VanDerWaalsContact O-CB 3.26Å; S2162-N2165 WeakPolarHBondContact O-CB 3.28Å; S2162-N2165 PolarHBondContact O-N 2.95Å; P2163-N2165 VanDerWaalsContact C-N 3.31Å; N2165-E2167 VanDerWaalsContact C-N 3.3Å; N2165-E2167 PolarHBondContact O-N 3.4Å; N2165-L2168 PolarHBondContact O-N 2.67Å; N2165-L2168 VanDerWaalsContact O-N 3.12Å; N2165-E2169 WeakPolarHBondContact O-CB 3.28Å; N2165-E2169 PolarHBondContact O-N 2.6Å; N2165-I2197 VanDerWaalsContact OD1-CD1 3.26Å; N2165-I2197 WeakPolarHBondContact OD1-CD1 3Å
2166	T	70.7	Confident	71.3	Confident	65 Å²	65	51.6 Å²	51.6	40%	0.399	30%	0.295	S	S	.	.	H	α-helix	trans	-63.1	-34	176.2	-32.9	0	0	0	0	112.7	E2160 S2162 D2170	E2160-T2166 PolarHBondContact O-OG1 3.22Å; S2162-T2166 PolarHBondContact O-N 3.07Å; S2162-T2166 PolarHBondContact O-OG1 2.87Å; T2166-D2170 WeakPolarHBondContact O-CB 3.18Å; T2166-D2170 PolarHBondContact O-N 3.07Å
2167	E	78	Confident	72.2	Confident	123 Å²	123	51.2 Å²	51.2	58%	0.575	29%	0.291	S	S	*	.	H	α-helix	trans	-65.8	-40.2	173.4	-175.2	169.6	-161.9	0	0	111.7	P2163 N2165 M2171	P2163-E2167 WeakPolarHBondContact O-CB 3.34Å; P2163-E2167 PolarHBondContact O-N 2.86Å; N2165-E2167 VanDerWaalsContact C-N 3.3Å; N2165-E2167 PolarHBondContact O-N 3.4Å; E2167-M2171 HydrophobicContact CG-SD 4.37Å; E2167-M2171 WeakPolarHBondContact O-CB 3.24Å; E2167-M2171 WeakPolarHBondContact O-CG 3.31Å; E2167-M2171 PolarHBondContact O-N 3.38Å
2168	L	80.2	Confident	72.8	Confident	7 Å²	7	53.7 Å²	53.7	4%	0.037	30%	0.302	C	S	.	.	H	α-helix	trans	-70.6	-40.4	174.5	-72.6	175.8	0	0	0	112.9	L2151 F2157 T2164 N2165 M2171 F2172 I2197 L2213 F2215 L2252	L2151-L2168 HydrophobicContact CD2-CD1 4.46Å; L2151-L2168 HydrophobicContact CD2-CD2 4.28Å; F2157-L2168 HydrophobicContact CD1-CD1 3.77Å; F2157-L2168 HydrophobicContact CE1-CD1 3.37Å; F2157-L2168 HydrophobicContact CZ-CD1 4.06Å; T2164-L2168 VanDerWaalsContact O-CG 3.28Å; T2164-L2168 WeakPolarHBondContact O-CG 2.96Å; T2164-L2168 PolarHBondContact O-N 2.83Å; N2165-L2168 PolarHBondContact O-N 2.67Å; N2165-L2168 VanDerWaalsContact O-N 3.12Å; L2168-M2171 PolarHBondContact O-N 2.9Å; L2168-F2172 WeakPolarHBondContact O-CB 3.45Å; L2168-F2172 PolarHBondContact O-N 2.81Å; L2168-I2197 HydrophobicContact CB-CD1 4.47Å; L2168-L2213 HydrophobicContact CD1-CD1 3.59Å; L2168-F2215 HydrophobicContact CB-CE1 4.36Å; L2168-F2215 HydrophobicContact CB-CZ 4.1Å; L2168-L2252 HydrophobicContact CD2-CD2 3.74Å
2169	E	79.9	Confident	74.5	Confident	52 Å²	52	49.9 Å²	49.9	24%	0.243	28%	0.276	C	S	.	.	H	α-helix	trans	-57.7	-49	174.6	176.8	-171.2	174.2	0	0	111.5	N2165 F2172 T2173 L2194	N2165-E2169 WeakPolarHBondContact O-CB 3.28Å; N2165-E2169 PolarHBondContact O-N 2.6Å; E2169-F2172 PolarHBondContact O-N 2.96Å; E2169-T2173 WeakPolarHBondContact O-CB 3.07Å; E2169-T2173 WeakPolarHBondContact O-CG2 3.1Å; E2169-T2173 PolarHBondContact O-N 2.02Å; E2169-T2173 PolarHBondContact O-OG1 3.21Å; E2169-L2194 HydrophobicContact CB-CD2 3.99Å; E2169-L2194 HydrophobicContact CG-CB 4.41Å; E2169-L2194 HydrophobicContact CG-CD2 3.97Å
2170	D	78.1	Confident	76	Confident	75 Å²	75	47.5 Å²	47.5	40%	0.401	26%	0.259	S	S	.	.	H	α-helix	trans	-68.3	-37.9	179.4	-179.8	64.4	0	0	0	111.9	T2166 K2174	T2166-D2170 WeakPolarHBondContact O-CB 3.18Å; T2166-D2170 PolarHBondContact O-N 3.07Å; D2170-K2174 VanDerWaalsContact O-CB 3.27Å; D2170-K2174 WeakPolarHBondContact O-CB 3.34Å; D2170-K2174 VanDerWaalsContact O-CD 3.29Å; D2170-K2174 WeakPolarHBondContact O-CD 3.47Å; D2170-K2174 WeakPolarHBondContact O-CG 3.08Å; D2170-K2174 PolarHBondContact O-N 2.95Å; D2170-K2174 WeakPolarHBondContact OD1-CE 3.47Å; D2170-K2174 IonicContact OD1-NZ 3.93Å; D2170-K2174 PolarHBondContact OD1-NZ 2.78Å; D2170-K2174 IonicContact OD2-NZ 2.82Å; D2170-K2174 PolarHBondContact OD2-NZ 2.86Å
2171	M	82.3	Confident	77.1	Confident	33 Å²	33	48.6 Å²	48.6	16%	0.163	26%	0.26	C	S	.	.	H	α-helix	trans	-65.1	-44.8	171.3	-76.8	-179.9	64	0	0	112.3	N2146 E2167 L2168 G2175 R2251 L2252	N2146-M2171 WeakPolarHBondContact OD1-CE 3.06Å; E2167-M2171 HydrophobicContact CG-SD 4.37Å; E2167-M2171 WeakPolarHBondContact O-CB 3.24Å; E2167-M2171 WeakPolarHBondContact O-CG 3.31Å; E2167-M2171 PolarHBondContact O-N 3.38Å; L2168-M2171 PolarHBondContact O-N 2.9Å; M2171-G2175 PolarHBondContact O-N 3.04Å; M2171-R2251 HydrophobicContact CE-CB 3.76Å; M2171-L2252 HydrophobicContact CB-CD1 4Å; M2171-L2252 HydrophobicContact CB-CG 4.13Å; M2171-L2252 HydrophobicContact CE-CD2 3.87Å; M2171-L2252 HydrophobicContact CE-CG 4Å
2172	F	87.2	Confident	77.9	Confident	0 Å²	0	48.2 Å²	48.2	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-69.3	-49.7	-175.8	-176.2	-92	0	0	0	112.2	L2141 V2143 L2168 E2169 K2174 G2175 V2176 L2194 F2215 F2217 I2247 L2252	L2141-F2172 HydrophobicContact CD2-CE2 4.22Å; L2141-F2172 HydrophobicContact CD2-CZ 4.33Å; V2143-F2172 HydrophobicContact CG2-CD2 3.89Å; V2143-F2172 HydrophobicContact CG2-CE2 3.69Å; L2168-F2172 WeakPolarHBondContact O-CB 3.45Å; L2168-F2172 PolarHBondContact O-N 2.81Å; E2169-F2172 PolarHBondContact O-N 2.96Å; F2172-K2174 VanDerWaalsContact C-N 3.3Å; F2172-K2174 PolarHBondContact O-N 2.94Å; F2172-G2175 CarbonylContact O-C 3.12Å; F2172-G2175 WeakPolarHBondContact O-CA 3.46Å; F2172-G2175 PolarHBondContact O-N 2.62Å; F2172-V2176 HydrophobicContact CD1-CG2 4.11Å; F2172-V2176 HydrophobicContact CE1-CG2 3.61Å; F2172-V2176 HydrophobicContact CE2-CG2 4.35Å; F2172-V2176 HydrophobicContact CZ-CG2 3.74Å; F2172-V2176 PolarHBondContact O-N 2.03Å; F2172-L2194 HydrophobicContact CD1-CD1 4.1Å; F2172-L2194 HydrophobicContact CE1-CD1 4.17Å; F2172-F2215 HydrophobicContact CB-CD1 3.73Å; F2172-F2215 HydrophobicContact CB-CE1 3.49Å; F2172-F2215 VanDerWaalsContact CB-CE1 3.49Å; F2172-F2215 HydrophobicContact CB-CZ 4.31Å; F2172-F2215 HydrophobicContact CD1-CB 4.34Å; F2172-F2215 AromaticContact CD1-CD1 3.7Å; F2172-F2215 HydrophobicContact CD1-CD1 3.7Å; F2172-F2215 HydrophobicContact CD1-CE1 4.37Å; F2172-F2215 HydrophobicContact CD1-CG 4.32Å; F2172-F2215 HydrophobicContact CD2-CB 3.99Å; F2172-F2215 AromaticContact CD2-CD1 3.39Å; F2172-F2215 HydrophobicContact CD2-CD1 3.39Å; F2172-F2215 HydrophobicContact CD2-CD2 4.06Å; F2172-F2215 AromaticContact CD2-CE1 3.75Å; F2172-F2215 HydrophobicContact CD2-CE1 3.75Å; F2172-F2215 HydrophobicContact CD2-CE2 4.36Å; F2172-F2215 AromaticContact CD2-CG 3.56Å; F2172-F2215 HydrophobicContact CD2-CG 3.56Å; F2172-F2215 HydrophobicContact CD2-CZ 4.21Å; F2172-F2215 HydrophobicContact CE1-CB 3.91Å; F2172-F2215 HydrophobicContact CE1-CD1 4.15Å; F2172-F2215 HydrophobicContact CE1-CG 4.36Å; F2172-F2215 HydrophobicContact CE2-CB 3.5Å; F2172-F2215 VanDerWaalsContact CE2-CB 3.5Å; F2172-F2215 AromaticContact CE2-CD1 3.87Å; F2172-F2215 HydrophobicContact CE2-CD1 3.87Å; F2172-F2215 HydrophobicContact CE2-CD2 4.15Å; F2172-F2215 AromaticContact CE2-CG 3.6Å; F2172-F2215 HydrophobicContact CE2-CG 3.6Å; F2172-F2215 HydrophobicContact CG-CB 4.38Å; F2172-F2215 AromaticContact CG-CD1 3.29Å; F2172-F2215 HydrophobicContact CG-CD1 3.29Å; F2172-F2215 AromaticContact CG-CE1 3.61Å; F2172-F2215 HydrophobicContact CG-CE1 3.61Å; F2172-F2215 AromaticContact CG-CG 3.94Å; F2172-F2215 HydrophobicContact CG-CG 3.94Å; F2172-F2215 HydrophobicContact CG-CZ 4.45Å; F2172-F2215 HydrophobicContact CZ-CB 3.47Å; F2172-F2215 VanDerWaalsContact CZ-CB 3.47Å; F2172-F2215 HydrophobicContact CZ-CD1 4.23Å; F2172-F2215 HydrophobicContact CZ-CG 4.02Å; F2172-F2217 HydrophobicContact CE1-CB 4Å; F2172-F2217 AromaticContact CE1-CD1 3.47Å; F2172-F2217 HydrophobicContact CE1-CD1 3.47Å; F2172-F2217 VanDerWaalsContact CE1-CD1 3.47Å; F2172-F2217 HydrophobicContact CE1-CD2 4.26Å; F2172-F2217 HydrophobicContact CE1-CE1 4.03Å; F2172-F2217 AromaticContact CE1-CG 3.63Å; F2172-F2217 HydrophobicContact CE1-CG 3.63Å; F2172-F2217 AromaticContact CZ-CD1 3.44Å; F2172-F2217 HydrophobicContact CZ-CD1 3.44Å; F2172-F2217 VanDerWaalsContact CZ-CD1 3.44Å; F2172-F2217 AromaticContact CZ-CE1 3.58Å; F2172-F2217 HydrophobicContact CZ-CE1 3.58Å; F2172-F2217 HydrophobicContact CZ-CG 4.07Å; F2172-F2217 HydrophobicContact CZ-CZ 4.26Å; F2172-I2247 HydrophobicContact CD2-CD1 3.8Å; F2172-I2247 HydrophobicContact CE2-CD1 3.54Å; F2172-L2252 HydrophobicContact CB-CD1 3.65Å; F2172-L2252 HydrophobicContact CD2-CD1 3.99Å; F2172-L2252 HydrophobicContact CG-CD1 4.34Å
2173	T	84.4	Confident	78.7	Confident	26 Å²	26	47.8 Å²	47.8	16%	0.16	25%	0.245	C	C	.	.	H	α-helix	trans	-62.9	-36.8	177.2	52.8	0	0	0	0	111.6	E2169 N2177 V2192 L2194	E2169-T2173 WeakPolarHBondContact O-CB 3.07Å; E2169-T2173 WeakPolarHBondContact O-CG2 3.1Å; E2169-T2173 PolarHBondContact O-N 2.02Å; E2169-T2173 PolarHBondContact O-OG1 3.21Å; T2173-N2177 WeakPolarHBondContact O-CB 3.39Å; T2173-N2177 PolarHBondContact O-N 2.76Å; T2173-N2177 PolarHBondContact O-ND2 3.45Å; T2173-V2192 HydrophobicContact CG2-CG1 4.37Å; T2173-L2194 HydrophobicContact CG2-CB 4.17Å
2174	K	81.8	Confident	79	Confident	101 Å²	101	48 Å²	48	44%	0.439	25%	0.246	S	C	.	.	H	α-helix	trans	-63.2	-44.5	170	-75.9	170.6	-173.2	161.1	0	112	D2170 F2172 N2177 Q2178	D2170-K2174 VanDerWaalsContact O-CB 3.27Å; D2170-K2174 WeakPolarHBondContact O-CB 3.34Å; D2170-K2174 VanDerWaalsContact O-CD 3.29Å; D2170-K2174 WeakPolarHBondContact O-CD 3.47Å; D2170-K2174 WeakPolarHBondContact O-CG 3.08Å; D2170-K2174 PolarHBondContact O-N 2.95Å; D2170-K2174 WeakPolarHBondContact OD1-CE 3.47Å; D2170-K2174 IonicContact OD1-NZ 3.93Å; D2170-K2174 PolarHBondContact OD1-NZ 2.78Å; D2170-K2174 IonicContact OD2-NZ 2.82Å; D2170-K2174 PolarHBondContact OD2-NZ 2.86Å; F2172-K2174 VanDerWaalsContact C-N 3.3Å; F2172-K2174 PolarHBondContact O-N 2.94Å; K2174-N2177 PolarHBondContact O-N 3.3Å; K2174-Q2178 WeakPolarHBondContact O-CB 3.48Å; K2174-Q2178 VanDerWaalsContact O-CG 3.25Å; K2174-Q2178 WeakPolarHBondContact O-CG 3.34Å; K2174-Q2178 PolarHBondContact O-N 2.84Å; K2174-Q2178 PolarHBondContact O-OE1 2.81Å
2175	G	83.2	Confident	79.6	Confident	0 Å²	0	45.7 Å²	45.7	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-54.7	-54.9	175.1	0	0	0	0	0	112.2	M2171 F2172 N2177 Q2178 A2179 I2247 G2248 T2250	M2171-G2175 PolarHBondContact O-N 3.04Å; F2172-G2175 CarbonylContact O-C 3.12Å; F2172-G2175 WeakPolarHBondContact O-CA 3.46Å; F2172-G2175 PolarHBondContact O-N 2.62Å; G2175-N2177 PolarHBondContact O-N 3.23Å; G2175-Q2178 CarbonylContact O-C 2.98Å; G2175-Q2178 WeakPolarHBondContact O-CA 3.32Å; G2175-Q2178 PolarHBondContact O-N 2.66Å; G2175-A2179 WeakPolarHBondContact O-CB 3.39Å; G2175-A2179 PolarHBondContact O-N 2.77Å; G2175-I2247 VanDerWaalsContact C-CG2 3.49Å; G2175-I2247 WeakPolarHBondContact CA-O 3.32Å; G2175-G2248 WeakPolarHBondContact O-CA 3.5Å; G2175-T2250 VanDerWaalsContact CA-CG2 3.47Å
2176	V	85	Confident	80.1	Confident	0 Å²	0	47 Å²	47	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-63.1	-40.6	-179.5	176.8	0	0	0	0	111.7	F2172 Q2178 A2179 Y2180 V2192 F2217 V2219 L2236 I2247	F2172-V2176 HydrophobicContact CD1-CG2 4.11Å; F2172-V2176 HydrophobicContact CE1-CG2 3.61Å; F2172-V2176 HydrophobicContact CE2-CG2 4.35Å; F2172-V2176 HydrophobicContact CZ-CG2 3.74Å; F2172-V2176 PolarHBondContact O-N 2.03Å; V2176-Q2178 VanDerWaalsContact C-N 3.29Å; V2176-Q2178 PolarHBondContact O-N 2.79Å; V2176-A2179 PolarHBondContact O-N 2.76Å; V2176-Y2180 HydrophobicContact CG1-CD2 3.7Å; V2176-Y2180 HydrophobicContact CG1-CE2 3.55Å; V2176-Y2180 WeakPolarHBondContact O-CD2 3.36Å; V2176-Y2180 PolarHBondContact O-N 2.86Å; V2176-V2192 HydrophobicContact CB-CG1 4.2Å; V2176-V2192 HydrophobicContact CB-CG2 4.32Å; V2176-V2192 HydrophobicContact CG1-CB 4.09Å; V2176-V2192 HydrophobicContact CG1-CG1 4.2Å; V2176-V2192 HydrophobicContact CG1-CG2 3.97Å; V2176-F2217 HydrophobicContact CG1-CD2 4.45Å; V2176-F2217 HydrophobicContact CG1-CE2 4.08Å; V2176-F2217 HydrophobicContact CG2-CE2 4.31Å; V2176-V2219 HydrophobicContact CG1-CG1 4.23Å; V2176-L2236 HydrophobicContact CG1-CD1 4.13Å; V2176-L2236 HydrophobicContact CG1-CD2 4.33Å; V2176-L2236 HydrophobicContact CG2-CD1 4.37Å; V2176-L2236 HydrophobicContact CG2-CD2 4.44Å; V2176-I2247 HydrophobicContact CG2-CG2 3.93Å
2177	N	81.3	Confident	80.4	Confident	50 Å²	50	47.9 Å²	47.9	27%	0.267	24%	0.243	S	C	.	.	H	α-helix	trans	-61	-34.8	172.1	-82.1	-66.1	0	0	0	113.1	T2173 K2174 G2175 R2181 F2189 V2192	T2173-N2177 WeakPolarHBondContact O-CB 3.39Å; T2173-N2177 PolarHBondContact O-N 2.76Å; T2173-N2177 PolarHBondContact O-ND2 3.45Å; K2174-N2177 PolarHBondContact O-N 3.3Å; G2175-N2177 PolarHBondContact O-N 3.23Å; N2177-R2181 WeakPolarHBondContact O-CG 3.38Å; N2177-F2189 VanDerWaalsContact OD1-CE1 3.32Å; N2177-F2189 WeakPolarHBondContact OD1-CE1 3.42Å; N2177-V2192 VanDerWaalsContact ND2-CG1 3.32Å; N2177-V2192 WeakPolarHBondContact ND2-CG1 3.46Å
2178	Q	80.8	Confident	80.6	Confident	80 Å²	80	45.5 Å²	45.5	37%	0.374	23%	0.232	S	C	.	.	H	α-helix	trans	-79.7	-29.5	176.5	-72	173.4	-113.4	0	0	112.4	K2174 G2175 V2176 R2181 G2248	K2174-Q2178 WeakPolarHBondContact O-CB 3.48Å; K2174-Q2178 VanDerWaalsContact O-CG 3.25Å; K2174-Q2178 WeakPolarHBondContact O-CG 3.34Å; K2174-Q2178 PolarHBondContact O-N 2.84Å; K2174-Q2178 PolarHBondContact O-OE1 2.81Å; G2175-Q2178 CarbonylContact O-C 2.98Å; G2175-Q2178 WeakPolarHBondContact O-CA 3.32Å; G2175-Q2178 PolarHBondContact O-N 2.66Å; V2176-Q2178 VanDerWaalsContact C-N 3.29Å; V2176-Q2178 PolarHBondContact O-N 2.79Å; Q2178-R2181 WeakPolarHBondContact O-CB 3.44Å; Q2178-R2181 PolarHBondContact O-N 3.41Å; Q2178-G2248 WeakPolarHBondContact CB-O 3.38Å; Q2178-G2248 PolarHBondContact NE2-O 3.27Å
2179	A	82.6	Confident	80.8	Confident	0 Å²	0	45.2 Å²	45.2	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-71.3	-52.5	179.5	0	0	0	0	0	110.7	G2175 V2176 R2181 I2182 L2236 S2239	G2175-A2179 WeakPolarHBondContact O-CB 3.39Å; G2175-A2179 PolarHBondContact O-N 2.77Å; V2176-A2179 PolarHBondContact O-N 2.76Å; A2179-R2181 PolarHBondContact O-N 2.98Å; A2179-R2181 VanDerWaalsContact O-N 3.1Å; A2179-I2182 WeakPolarHBondContact O-CG1 3.45Å; A2179-I2182 PolarHBondContact O-N 3.02Å; A2179-L2236 HydrophobicContact CB-CD1 3.43Å; A2179-L2236 VanDerWaalsContact CB-CD1 3.43Å; A2179-S2239 WeakPolarHBondContact CA-OG 3.03Å; A2179-S2239 WeakPolarHBondContact CB-OG 2.92Å; A2179-S2239 WeakPolarHBondContact O-CB 3.23Å; A2179-S2239 PolarHBondContact O-OG 3.46Å
2180	Y	85.1	Confident	80.8	Confident	0 Å²	0	43.2 Å²	43.2	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-60.8	-24.5	175	-75.6	-70.3	0	0	0	112.9	V2176 I2182 T2183 V2185 W2186 F2189 V2219 F2221 A2232 Q2235 L2236	V2176-Y2180 HydrophobicContact CG1-CD2 3.7Å; V2176-Y2180 HydrophobicContact CG1-CE2 3.55Å; V2176-Y2180 WeakPolarHBondContact O-CD2 3.36Å; V2176-Y2180 PolarHBondContact O-N 2.86Å; Y2180-I2182 PolarHBondContact O-N 2.69Å; Y2180-I2182 VanDerWaalsContact O-N 3.16Å; Y2180-T2183 PolarHBondContact O-N 2.9Å; Y2180-T2183 PolarHBondContact O-OG1 2.67Å; Y2180-V2185 HydrophobicContact CD1-CG2 3.95Å; Y2180-V2185 HydrophobicContact CE1-CG2 4.38Å; Y2180-W2186 WeakPolarHBondContact O-CB 3.49Å; Y2180-F2189 HydrophobicContact CD1-CD2 4.39Å; Y2180-F2189 AromaticContact CD2-CD2 3.63Å; Y2180-F2189 HydrophobicContact CD2-CD2 3.63Å; Y2180-F2189 AromaticContact CD2-CE2 3.37Å; Y2180-F2189 HydrophobicContact CD2-CE2 3.37Å; Y2180-F2189 HydrophobicContact CD2-CZ 4.16Å; Y2180-F2189 HydrophobicContact CE2-CD2 4.17Å; Y2180-F2189 AromaticContact CE2-CE2 3.82Å; Y2180-F2189 HydrophobicContact CE2-CE2 3.82Å; Y2180-F2189 AromaticContact CG-CD2 3.74Å; Y2180-F2189 HydrophobicContact CG-CD2 3.74Å; Y2180-F2189 AromaticContact CG-CE2 3.98Å; Y2180-F2189 HydrophobicContact CG-CE2 3.98Å; Y2180-F2189 HydrophobicContact CG-CG 4.41Å; Y2180-V2219 HydrophobicContact CE2-CB 4.5Å; Y2180-V2219 HydrophobicContact CE2-CG1 3.72Å; Y2180-F2221 HydrophobicContact CD1-CZ 4.2Å; Y2180-F2221 AromaticContact CE1-CZ 3.82Å; Y2180-F2221 HydrophobicContact CE1-CZ 3.82Å; Y2180-A2232 WeakPolarHBondContact CE1-O 3.08Å; Y2180-A2232 PolarHBondContact OH-O 3.22Å; Y2180-Q2235 HydrophobicContact CE1-CB 4.39Å; Y2180-L2236 HydrophobicContact CD2-CD1 4.34Å; Y2180-L2236 HydrophobicContact CE1-CB 4.11Å; Y2180-L2236 HydrophobicContact CE2-CB 4.25Å; Y2180-L2236 HydrophobicContact CE2-CD1 4.06Å; Y2180-L2236 HydrophobicContact CE2-CD2 4.22Å; Y2180-L2236 HydrophobicContact CE2-CG 4.42Å
2181	R	78	Confident	80.9	Confident	102 Å²	102	43.1 Å²	43.1	39%	0.385	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-21.3	178.3	-95.6	176.2	177.9	-179.1	2.1	115.9	A46 N2177 Q2178 A2179 W2186	A46-R2181 PolarHBondContact O-NH2 3.29Å; N2177-R2181 WeakPolarHBondContact O-CG 3.38Å; Q2178-R2181 WeakPolarHBondContact O-CB 3.44Å; Q2178-R2181 PolarHBondContact O-N 3.41Å; A2179-R2181 PolarHBondContact O-N 2.98Å; A2179-R2181 VanDerWaalsContact O-N 3.1Å; R2181-W2186 HydrophobicContact CB-CD2 4.2Å; R2181-W2186 HydrophobicContact CB-CE3 4.21Å; R2181-W2186 HydrophobicContact CG-CD2 3.47Å; R2181-W2186 VanDerWaalsContact CG-CD2 3.47Å; R2181-W2186 VanDerWaalsContact CG-CE2 3.42Å; R2181-W2186 HydrophobicContact CG-CE3 3.55Å; R2181-W2186 HydrophobicContact CG-CG 4.2Å; R2181-W2186 HydrophobicContact CG-CH2 3.62Å; R2181-W2186 HydrophobicContact CG-CZ2 3.53Å; R2181-W2186 HydrophobicContact CG-CZ3 3.61Å; R2181-W2186 VanDerWaalsContact NE-CZ2 3.34Å
2182	I	72	Confident	80.9	Confident	98 Å²	98	42.3 Å²	42.3	50%	0.503	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.6	8.7	177.6	62.3	170.6	0	0	0	113	A2179 Y2180 S2239 S2242 T2243	A2179-I2182 WeakPolarHBondContact O-CG1 3.45Å; A2179-I2182 PolarHBondContact O-N 3.02Å; Y2180-I2182 PolarHBondContact O-N 2.69Å; Y2180-I2182 VanDerWaalsContact O-N 3.16Å; I2182-S2239 WeakPolarHBondContact CD1-OG 3.14Å; I2182-S2239 WeakPolarHBondContact CG1-OG 3.36Å; I2182-S2242 WeakPolarHBondContact CD1-OG 3.11Å; I2182-T2243 HydrophobicContact CD1-CG2 4.11Å
2183	T	76.9	Confident	80.3	Confident	9 Å²	9	44.1 Å²	44.1	6%	0.055	22%	0.221	C	C	.	.	S	Bend	trans	-101.6	151.8	177.4	68.5	0	0	0	0	111.1	Y2180 V2185 W2186 Q2235	Y2180-T2183 PolarHBondContact O-N 2.9Å; Y2180-T2183 PolarHBondContact O-OG1 2.67Å; T2183-V2185 PolarHBondContact O-N 3.21Å; T2183-V2185 VanDerWaalsContact O-N 3.09Å; T2183-V2185 WeakPolarHBondContact OG1-CG2 3.36Å; T2183-W2186 WeakPolarHBondContact O-CB 3.21Å; T2183-W2186 PolarHBondContact O-N 3.06Å; T2183-W2186 VanDerWaalsContact O-N 3.09Å; T2183-Q2235 HydrophobicContact CG2-CB 3.99Å; T2183-Q2235 WeakPolarHBondContact CG2-O 3.33Å
2184	P	73.9	Confident	80	Confident	107 Å²	107	44.2 Å²	44.2	70%	0.695	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.8	-24.3	175.6	-26.5	36.4	0	0	0	114.1	W2186 P2187	P2184-W2186 VanDerWaalsContact C-N 3.3Å; P2184-W2186 PolarHBondContact O-N 2.85Å; P2184-P2187 WeakPolarHBondContact O-CD 2.98Å
2185	V	80.7	Confident	79.7	Confident	19 Å²	19	40.5 Å²	40.5	12%	0.115	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-3.6	-178.8	-56.2	0	0	0	0	113.6	Y2180 T2183 H2188 F2189 F2221 L2226 Q2235	Y2180-V2185 HydrophobicContact CD1-CG2 3.95Å; Y2180-V2185 HydrophobicContact CE1-CG2 4.38Å; T2183-V2185 PolarHBondContact O-N 3.21Å; T2183-V2185 VanDerWaalsContact O-N 3.09Å; T2183-V2185 WeakPolarHBondContact OG1-CG2 3.36Å; V2185-H2188 PolarHBondContact O-N 2.48Å; V2185-H2188 VanDerWaalsContact O-N 3.16Å; V2185-F2189 PolarHBondContact O-N 2.91Å; V2185-F2189 VanDerWaalsContact O-N 3.13Å; V2185-F2221 HydrophobicContact CB-CE1 4.28Å; V2185-F2221 HydrophobicContact CG2-CE1 4.04Å; V2185-L2226 HydrophobicContact CB-CD2 4.47Å; V2185-L2226 HydrophobicContact CG1-CD2 3.81Å; V2185-Q2235 HydrophobicContact CG1-CG 4.36Å; V2185-Q2235 HydrophobicContact CG2-CB 4.15Å; V2185-Q2235 HydrophobicContact CG2-CG 4.23Å
2186	W	80	Confident	79.2	Confident	39 Å²	39	44.2 Å²	44.2	15%	0.148	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.6	-42.3	176.4	179.8	-116.4	0	0	0	115	K2125 Y2180 R2181 T2183 P2184 H2188 F2189	K2125-W2186 PolarHBondContact NZ-O 3.29Å; Y2180-W2186 WeakPolarHBondContact O-CB 3.49Å; R2181-W2186 HydrophobicContact CB-CD2 4.2Å; R2181-W2186 HydrophobicContact CB-CE3 4.21Å; R2181-W2186 HydrophobicContact CG-CD2 3.47Å; R2181-W2186 VanDerWaalsContact CG-CD2 3.47Å; R2181-W2186 VanDerWaalsContact CG-CE2 3.42Å; R2181-W2186 HydrophobicContact CG-CE3 3.55Å; R2181-W2186 HydrophobicContact CG-CG 4.2Å; R2181-W2186 HydrophobicContact CG-CH2 3.62Å; R2181-W2186 HydrophobicContact CG-CZ2 3.53Å; R2181-W2186 HydrophobicContact CG-CZ3 3.61Å; R2181-W2186 VanDerWaalsContact NE-CZ2 3.34Å; T2183-W2186 WeakPolarHBondContact O-CB 3.21Å; T2183-W2186 PolarHBondContact O-N 3.06Å; T2183-W2186 VanDerWaalsContact O-N 3.09Å; P2184-W2186 VanDerWaalsContact C-N 3.3Å; P2184-W2186 PolarHBondContact O-N 2.85Å; W2186-H2188 PolarHBondContact O-N 2.97Å; W2186-F2189 HydrophobicContact CE3-CB 4.05Å; W2186-F2189 AromaticContact CE3-CD1 3.83Å; W2186-F2189 HydrophobicContact CE3-CD1 3.83Å; W2186-F2189 HydrophobicContact CE3-CG 4.15Å; W2186-F2189 AromaticContact CH2-CD1 3.96Å; W2186-F2189 HydrophobicContact CH2-CD1 3.96Å; W2186-F2189 HydrophobicContact CH2-CE1 4.32Å; W2186-F2189 HydrophobicContact CZ3-CB 4.34Å; W2186-F2189 AromaticContact CZ3-CD1 3.24Å; W2186-F2189 HydrophobicContact CZ3-CD1 3.24Å; W2186-F2189 AromaticContact CZ3-CE1 3.71Å; W2186-F2189 HydrophobicContact CZ3-CE1 3.71Å; W2186-F2189 AromaticContact CZ3-CG 4Å; W2186-F2189 HydrophobicContact CZ3-CG 4Å; W2186-F2189 PolarHBondContact O-N 3.46Å
2187	P	77.8	Confident	78.9	Confident	85 Å²	85	44.7 Å²	44.7	55%	0.552	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.7	-38.4	-176.8	-25	35.5	0	0	0	112.1	K2125 P2184	K2125-P2187 PolarHBondContact NZ-O 2.74Å; P2184-P2187 WeakPolarHBondContact O-CD 2.98Å
2188	H	81.1	Confident	78.6	Confident	73 Å²	73	44.2 Å²	44.2	34%	0.338	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.1	-23.1	-174.1	-58.2	-89.8	0	0	0	114	V2185 W2186 I2190 F2221 E2222 S2225	V2185-H2188 PolarHBondContact O-N 2.48Å; V2185-H2188 VanDerWaalsContact O-N 3.16Å; W2186-H2188 PolarHBondContact O-N 2.97Å; H2188-I2190 PolarHBondContact O-N 2.98Å; H2188-F2221 HydrophobicContact CB-CD1 4.49Å; H2188-F2221 CarbonylContact O-C 3.5Å; H2188-F2221 VanDerWaalsContact O-CA 3.31Å; H2188-F2221 WeakPolarHBondContact O-CA 3.43Å; H2188-E2222 PolarHBondContact O-N 3.06Å; H2188-S2225 VanDerWaalsContact CG-CB 3.43Å; H2188-S2225 VanDerWaalsContact ND1-CB 3.27Å; H2188-S2225 WeakPolarHBondContact ND1-CB 3.46Å; H2188-S2225 PolarHBondContact ND1-OG 3.2Å
2189	F	84.1	Confident	78	Confident	0 Å²	0	42.3 Å²	42.3	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.5	134.1	171.9	177.9	-84.5	0	0	0	110.8	K2125 N2177 Y2180 V2185 W2186 V2192 V2219 F2221	K2125-F2189 PolarHBondContact NZ-O 3.14Å; N2177-F2189 VanDerWaalsContact OD1-CE1 3.32Å; N2177-F2189 WeakPolarHBondContact OD1-CE1 3.42Å; Y2180-F2189 HydrophobicContact CD1-CD2 4.39Å; Y2180-F2189 AromaticContact CD2-CD2 3.63Å; Y2180-F2189 HydrophobicContact CD2-CD2 3.63Å; Y2180-F2189 AromaticContact CD2-CE2 3.37Å; Y2180-F2189 HydrophobicContact CD2-CE2 3.37Å; Y2180-F2189 HydrophobicContact CD2-CZ 4.16Å; Y2180-F2189 HydrophobicContact CE2-CD2 4.17Å; Y2180-F2189 AromaticContact CE2-CE2 3.82Å; Y2180-F2189 HydrophobicContact CE2-CE2 3.82Å; Y2180-F2189 AromaticContact CG-CD2 3.74Å; Y2180-F2189 HydrophobicContact CG-CD2 3.74Å; Y2180-F2189 AromaticContact CG-CE2 3.98Å; Y2180-F2189 HydrophobicContact CG-CE2 3.98Å; Y2180-F2189 HydrophobicContact CG-CG 4.41Å; V2185-F2189 PolarHBondContact O-N 2.91Å; V2185-F2189 VanDerWaalsContact O-N 3.13Å; W2186-F2189 HydrophobicContact CE3-CB 4.05Å; W2186-F2189 AromaticContact CE3-CD1 3.83Å; W2186-F2189 HydrophobicContact CE3-CD1 3.83Å; W2186-F2189 HydrophobicContact CE3-CG 4.15Å; W2186-F2189 AromaticContact CH2-CD1 3.96Å; W2186-F2189 HydrophobicContact CH2-CD1 3.96Å; W2186-F2189 HydrophobicContact CH2-CE1 4.32Å; W2186-F2189 HydrophobicContact CZ3-CB 4.34Å; W2186-F2189 AromaticContact CZ3-CD1 3.24Å; W2186-F2189 HydrophobicContact CZ3-CD1 3.24Å; W2186-F2189 AromaticContact CZ3-CE1 3.71Å; W2186-F2189 HydrophobicContact CZ3-CE1 3.71Å; W2186-F2189 AromaticContact CZ3-CG 4Å; W2186-F2189 HydrophobicContact CZ3-CG 4Å; W2186-F2189 PolarHBondContact O-N 3.46Å; F2189-V2192 HydrophobicContact CZ-CB 4.09Å; F2189-V2192 HydrophobicContact CZ-CG1 4.3Å; F2189-V2219 HydrophobicContact CE2-CB 4.26Å; F2189-V2219 HydrophobicContact CE2-CG1 4.16Å; F2189-F2221 VanDerWaalsContact CA-CD1 3.46Å; F2189-F2221 HydrophobicContact CB-CD1 3.94Å; F2189-F2221 HydrophobicContact CB-CE1 3.71Å; F2189-F2221 HydrophobicContact CD2-CD1 4.48Å; F2189-F2221 AromaticContact CD2-CE1 3.87Å; F2189-F2221 HydrophobicContact CD2-CE1 3.87Å; F2189-F2221 HydrophobicContact CD2-CE2 4.35Å; F2189-F2221 AromaticContact CD2-CZ 3.8Å; F2189-F2221 HydrophobicContact CD2-CZ 3.8Å; F2189-F2221 HydrophobicContact CG-CE1 4.29Å
2190	I	81	Confident	77	Confident	11 Å²	11	43.5 Å²	43.5	6%	0.056	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	-50.2	-177.2	-77	173.2	0	0	0	112.1	L2134 H2188 Y2220 E2222	L2134-I2190 HydrophobicContact CD2-CB 4.34Å; L2134-I2190 HydrophobicContact CD2-CD1 3.4Å; L2134-I2190 HydrophobicContact CD2-CG1 4.44Å; L2134-I2190 HydrophobicContact CD2-CG2 3.95Å; H2188-I2190 PolarHBondContact O-N 2.98Å; I2190-Y2220 WeakPolarHBondContact CA-O 3.06Å; I2190-Y2220 PolarHBondContact N-O 2.77Å; I2190-E2222 HydrophobicContact CD1-CB 4.19Å
2191	R	80.3	Confident	75.6	Confident	72 Å²	72	47.1 Å²	47.1	27%	0.272	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.4	167.7	178.3	69.3	-173.6	-170.7	129.4	15.7	112	E2193 Y2220	R2191-E2193 IonicContact CZ-OE2 4Å; R2191-E2193 IonicContact NH1-OE2 3.44Å; R2191-E2193 PolarHBondContact NH1-OE2 3.07Å; R2191-E2193 IonicContact NH2-OE2 3.61Å; R2191-E2193 PolarHBondContact NH2-OE2 2.77Å; R2191-Y2220 HydrophobicContact CG-CD2 3.51Å; R2191-Y2220 HydrophobicContact CG-CE2 4.32Å; R2191-Y2220 HydrophobicContact CG-CG 3.92Å; R2191-Y2220 PolarHBondContact N-O 2.86Å; R2191-Y2220 VanDerWaalsContact NH2-CE2 3.3Å; R2191-Y2220 PolarHBondContact NH2-OH 2.87Å; R2191-Y2220 PolarHBondContact O-N 2.88Å
2192	V	82.5	Confident	74.5	Confident	16 Å²	16	50 Å²	50	10%	0.097	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	145.1	165.6	55.1	0	0	0	0	109.9	T2173 V2176 N2177 F2189 F2217 T2218 V2219	T2173-V2192 HydrophobicContact CG2-CG1 4.37Å; V2176-V2192 HydrophobicContact CB-CG1 4.2Å; V2176-V2192 HydrophobicContact CB-CG2 4.32Å; V2176-V2192 HydrophobicContact CG1-CB 4.09Å; V2176-V2192 HydrophobicContact CG1-CG1 4.2Å; V2176-V2192 HydrophobicContact CG1-CG2 3.97Å; N2177-V2192 VanDerWaalsContact ND2-CG1 3.32Å; N2177-V2192 WeakPolarHBondContact ND2-CG1 3.46Å; F2189-V2192 HydrophobicContact CZ-CB 4.09Å; F2189-V2192 HydrophobicContact CZ-CG1 4.3Å; V2192-F2217 HydrophobicContact CG2-CB 4.22Å; V2192-F2217 HydrophobicContact CG2-CD2 3.7Å; V2192-F2217 HydrophobicContact CG2-CG 4.34Å; V2192-T2218 WeakPolarHBondContact CA-O 3.08Å; V2192-V2219 HydrophobicContact CB-CG1 4.26Å; V2192-V2219 HydrophobicContact CG2-CG1 4.13Å
2193	E	74.7	Confident	73.6	Confident	38 Å²	38	49.8 Å²	49.8	18%	0.178	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	122.6	174.5	-165.1	165.2	128.1	0	0	107.3	W1974 R2191 F2217 T2218 Y2220	W1974-E2193 PolarHBondContact NE1-OE1 3.2Å; R2191-E2193 IonicContact CZ-OE2 4Å; R2191-E2193 IonicContact NH1-OE2 3.44Å; R2191-E2193 PolarHBondContact NH1-OE2 3.07Å; R2191-E2193 IonicContact NH2-OE2 3.61Å; R2191-E2193 PolarHBondContact NH2-OE2 2.77Å; E2193-F2217 CarbonylContact O-C 3.58Å; E2193-F2217 WeakPolarHBondContact O-CA 3.49Å; E2193-F2217 WeakPolarHBondContact O-CB 3.22Å; E2193-T2218 PolarHBondContact N-O 3.41Å; E2193-T2218 PolarHBondContact O-N 3.15Å; E2193-Y2220 HydrophobicContact CB-CE2 3.96Å
2194	L	77.5	Confident	72.1	Confident	28 Å²	28	51.3 Å²	51.3	15%	0.147	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	126.9	174.9	-178.3	62.9	0	0	0	108.3	E2169 F2172 T2173 I2197 F2215 N2216 F2217	E2169-L2194 HydrophobicContact CB-CD2 3.99Å; E2169-L2194 HydrophobicContact CG-CB 4.41Å; E2169-L2194 HydrophobicContact CG-CD2 3.97Å; F2172-L2194 HydrophobicContact CD1-CD1 4.1Å; F2172-L2194 HydrophobicContact CE1-CD1 4.17Å; T2173-L2194 HydrophobicContact CG2-CB 4.17Å; L2194-I2197 HydrophobicContact CD2-CD1 4.42Å; L2194-I2197 HydrophobicContact CD2-CG1 4.07Å; L2194-F2215 HydrophobicContact CD1-CB 3.96Å; L2194-F2215 HydrophobicContact CD1-CD1 3.71Å; L2194-F2215 HydrophobicContact CD1-CG 4.3Å; L2194-F2215 HydrophobicContact CD2-CD1 3.81Å; L2194-F2215 HydrophobicContact CD2-CE1 4.14Å; L2194-F2215 HydrophobicContact CG-CD1 4.47Å; L2194-N2216 WeakPolarHBondContact CD1-O 3.28Å; L2194-F2217 HydrophobicContact CD1-CB 3.95Å
2195	N	74.9	Confident	71.1	Confident	23 Å²	23	47.4 Å²	47.4	12%	0.123	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	-49.7	179.2	-57.3	-38.4	0	0	0	110.3	S1976 N2216 T2218	S1976-N2195 PolarHBondContact OG-ND2 2.8Å; N2195-N2216 WeakPolarHBondContact CA-O 3.29Å; N2195-N2216 WeakPolarHBondContact CB-O 2.97Å; N2195-N2216 PolarHBondContact N-O 2.98Å; N2195-N2216 PolarHBondContact ND2-OD1 3.15Å; N2195-N2216 VanDerWaalsContact ND2-OD1 3.07Å; N2195-T2218 PolarHBondContact ND2-N 3.27Å; N2195-T2218 PolarHBondContact ND2-OG1 2.72Å; N2195-T2218 PolarHBondContact OD1-OG1 2.85Å
2196	E	72.8	Confident	69.5	Low	78 Å²	78	47.1 Å²	47.1	36%	0.364	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-167.6	165	-177.3	56.2	-175.9	175.6	0	0	111.2	L2198 N2216	E2196-L2198 HydrophobicContact CG-CD1 4.48Å; E2196-L2198 HydrophobicContact CG-CD2 4.21Å; E2196-L2198 HydrophobicContact CG-CG 4.03Å; E2196-N2216 HydrophobicContact CG-CB 3.79Å; E2196-N2216 PolarHBondContact N-O 3.4Å; E2196-N2216 VanDerWaalsContact N-O 3.14Å; E2196-N2216 PolarHBondContact O-N 2.68Å; E2196-N2216 PolarHBondContact OE1-ND2 2.86Å
2197	I	78	Confident	67.8	Low	10 Å²	10	48.3 Å²	48.3	5%	0.051	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	123.4	166.1	-54.8	-175.2	0	0	0	108.3	N2165 L2168 L2194 L2213 F2215	N2165-I2197 VanDerWaalsContact OD1-CD1 3.26Å; N2165-I2197 WeakPolarHBondContact OD1-CD1 3Å; L2168-I2197 HydrophobicContact CB-CD1 4.47Å; L2194-I2197 HydrophobicContact CD2-CD1 4.42Å; L2194-I2197 HydrophobicContact CD2-CG1 4.07Å; I2197-L2213 HydrophobicContact CG2-CB 3.74Å; I2197-L2213 HydrophobicContact CG2-CD1 4.33Å; I2197-L2213 HydrophobicContact CG2-CD2 3.93Å; I2197-L2213 HydrophobicContact CG2-CG 4.21Å; I2197-F2215 HydrophobicContact CD1-CD1 3.92Å; I2197-F2215 HydrophobicContact CD1-CE1 3.41Å; I2197-F2215 VanDerWaalsContact CD1-CE1 3.41Å; I2197-F2215 HydrophobicContact CD1-CE2 4.27Å; I2197-F2215 HydrophobicContact CD1-CZ 3.63Å; I2197-F2215 HydrophobicContact CG1-CD1 3.88Å; I2197-F2215 HydrophobicContact CG1-CE1 3.92Å; I2197-F2215 HydrophobicContact CG1-CG 4.3Å; I2197-F2215 HydrophobicContact CG1-CZ 4.38Å
2198	L	75.3	Confident	66.5	Low	40 Å²	40	50 Å²	50	21%	0.209	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	160.9	-177.1	-67.1	174.5	0	0	0	112.1	F2153 E2196 L2214 N2216	F2153-L2198 VanDerWaalsContact CD2-C 3.47Å; F2153-L2198 WeakPolarHBondContact CD2-O 3.42Å; E2196-L2198 HydrophobicContact CG-CD1 4.48Å; E2196-L2198 HydrophobicContact CG-CD2 4.21Å; E2196-L2198 HydrophobicContact CG-CG 4.03Å; L2198-L2214 HydrophobicContact CB-CB 4.11Å; L2198-L2214 HydrophobicContact CB-CD2 4.23Å; L2198-L2214 HydrophobicContact CD1-CD2 4.45Å; L2198-L2214 PolarHBondContact N-O 3.44Å; L2198-L2214 PolarHBondContact O-N 3.48Å; L2198-N2216 HydrophobicContact CD1-CB 4.2Å
2199	D	68	Low	65.2	Low	41 Å²	41	47.6 Å²	47.6	22%	0.219	24%	0.239	C	C	.	.			trans	-79.9	118.9	169.3	-168	-20.6	0	0	0	109	F2153 S2201 K2202	F2153-D2199 HydrophobicContact CB-CB 4.16Å; F2153-D2199 HydrophobicContact CD1-CB 3.59Å; F2153-D2199 HydrophobicContact CD2-CB 3.93Å; F2153-D2199 HydrophobicContact CE1-CB 3.87Å; F2153-D2199 HydrophobicContact CE2-CB 4.2Å; F2153-D2199 HydrophobicContact CG-CB 3.6Å; F2153-D2199 HydrophobicContact CZ-CB 4.15Å; D2199-S2201 PolarHBondContact O-N 2Å; D2199-S2201 WeakPolarHBondContact OD1-CB 3.03Å; D2199-S2201 PolarHBondContact OD1-N 3.2Å; D2199-S2201 PolarHBondContact OD1-OG 2.92Å; D2199-K2202 PolarHBondContact O-N 2.83Å
2200	P	62.3	Low	63.4	Low	24 Å²	24	49.9 Å²	49.9	16%	0.156	25%	0.249	C	C	.	.	G	3₁₀ helix	trans	-61.8	-19.8	175.5	25.5	-34	0	0	0	113	L2142 K2202 F2203 L2214	L2142-P2200 HydrophobicContact CD1-CB 3.84Å; L2142-P2200 HydrophobicContact CD1-CG 3.85Å; L2142-P2200 HydrophobicContact CD2-CB 4.3Å; P2200-K2202 PolarHBondContact O-N 2.84Å; P2200-F2203 PolarHBondContact O-N 3.34Å; P2200-L2214 HydrophobicContact CB-CB 4.33Å
2201	S	56	Low	62.3	Low	77 Å²	77	49.8 Å²	49.8	54%	0.538	25%	0.251	S	S	.	.	G	3₁₀ helix	trans	-64.4	6.2	179.4	-43.1	0	0	0	0	115	D2199	D2199-S2201 PolarHBondContact O-N 2Å; D2199-S2201 WeakPolarHBondContact OD1-CB 3.03Å; D2199-S2201 PolarHBondContact OD1-N 3.2Å; D2199-S2201 PolarHBondContact OD1-OG 2.92Å
2202	K	54.8	Low	62	Low	162 Å²	162	46.5 Å²	46.5	70%	0.704	24%	0.239	S	C	*	.	G	3₁₀ helix	trans	-103.3	0.8	179.4	-67.4	-173.6	176.6	-177.5	0	114.3	D2199 P2200	D2199-K2202 PolarHBondContact O-N 2.83Å; P2200-K2202 PolarHBondContact O-N 2.84Å
2203	F	53.6	Low	61.9	Low	94 Å²	94	45.7 Å²	45.7	41%	0.412	23%	0.234	S	C	.	.	S	Bend	trans	-129	155.8	-179.8	-61.5	-96.5	0	0	0	110.3	P2200 W2205 L2214	P2200-F2203 PolarHBondContact O-N 3.34Å; F2203-W2205 VanDerWaalsContact CB-CD1 3.49Å; F2203-W2205 AromaticContact CG-NE1 3.94Å; F2203-W2205 PolarHBondContact O-N 3.11Å; F2203-L2214 HydrophobicContact CD2-CD2 3.78Å; F2203-L2214 HydrophobicContact CE2-CD2 3.41Å; F2203-L2214 VanDerWaalsContact CE2-CD2 3.41Å; F2203-L2214 HydrophobicContact CZ-CD2 4.23Å
2204	S	45.9	Very low	62.2	Low	40 Å²	40	44 Å²	44	28%	0.28	23%	0.226	S	C	.	.			trans	-93.3	89.5	-175.8	47.3	0	0	0	0	112.2	V276 A280 S281 L284	V276-S2204 VanDerWaalsContact CG2-CB 3.4Å; A280-S2204 CarbonylContact C-O 2.91Å; A280-S2204 PolarHBondContact O-OG 2.93Å; S281-S2204 VanDerWaalsContact CB-O 3.23Å; S281-S2204 WeakPolarHBondContact CB-O 3.3Å; L284-S2204 WeakPolarHBondContact CD1-O 3.21Å
2205	W	52.8	Low	62.5	Low	26 Å²	26	42.7 Å²	42.7	10%	0.098	22%	0.219	C	C	.	.			trans	-116.9	168.2	-176.6	-56.7	16.4	0	0	0	110.8	V276 N277 L284 L2142 F2203 I2209 L2214 P2259	V276-W2205 CarbonylContact C-O 3.46Å; V276-W2205 WeakPolarHBondContact CA-O 3.32Å; V276-W2205 PolarHBondContact N-O 2.94Å; N277-W2205 PolarHBondContact N-O 3.17Å; N277-W2205 VanDerWaalsContact N-O 3.15Å; N277-W2205 CarbonylContact O-C 3.37Å; L284-W2205 HydrophobicContact CD1-CB 3.84Å; L284-W2205 HydrophobicContact CD1-CD2 4.45Å; L284-W2205 HydrophobicContact CD1-CG 3.73Å; L284-W2205 HydrophobicContact CD2-CB 4.44Å; L284-W2205 VanDerWaalsContact CD2-CD1 3.46Å; L284-W2205 HydrophobicContact CD2-CD2 3.45Å; L284-W2205 VanDerWaalsContact CD2-CD2 3.45Å; L284-W2205 HydrophobicContact CD2-CE3 4.07Å; L284-W2205 HydrophobicContact CD2-CG 3.58Å; L284-W2205 HydrophobicContact CD2-CH2 4.43Å; L284-W2205 HydrophobicContact CD2-CZ2 3.87Å; L284-W2205 VanDerWaalsContact CD2-NE1 3.33Å; L284-W2205 HydrophobicContact CG-CG 4.35Å; L2142-W2205 HydrophobicContact CB-CH2 3.63Å; L2142-W2205 HydrophobicContact CB-CZ3 3.45Å; L2142-W2205 VanDerWaalsContact CB-CZ3 3.45Å; L2142-W2205 HydrophobicContact CD2-CE3 3.81Å; L2142-W2205 HydrophobicContact CD2-CH2 4.27Å; L2142-W2205 HydrophobicContact CD2-CZ3 3.42Å; L2142-W2205 VanDerWaalsContact CD2-CZ3 3.42Å; L2142-W2205 HydrophobicContact CG-CZ3 4.07Å; F2203-W2205 VanDerWaalsContact CB-CD1 3.49Å; F2203-W2205 AromaticContact CG-NE1 3.94Å; F2203-W2205 PolarHBondContact O-N 3.11Å; W2205-I2209 HydrophobicContact CE3-CD1 4.05Å; W2205-I2209 HydrophobicContact CE3-CG2 4.23Å; W2205-L2214 HydrophobicContact CH2-CD1 3.62Å; W2205-L2214 HydrophobicContact CZ2-CD1 3.79Å; W2205-P2259 HydrophobicContact CD2-CG 4.37Å; W2205-P2259 HydrophobicContact CE3-CG 3.77Å; W2205-P2259 VanDerWaalsContact CZ3-CD 3.43Å; W2205-P2259 HydrophobicContact CZ3-CG 4.11Å
2206	S	45.4	Very low	62.7	Low	12 Å²	12	42.5 Å²	42.5	8%	0.084	22%	0.218	C	C	.	.	B	Isolated β-bridge	trans	-63.2	157.5	-166.8	95.4	0	0	0	0	116.9	V276 N277 E278 E2208 I2209	V276-S2206 CarbonylContact O-C 3.54Å; V276-S2206 WeakPolarHBondContact O-CA 3.47Å; N277-S2206 VanDerWaalsContact CA-CA 3.4Å; N277-S2206 PolarHBondContact O-N 3.09Å; E278-S2206 VanDerWaalsContact OE1-CB 3.23Å; E278-S2206 WeakPolarHBondContact OE1-CB 2.93Å; E278-S2206 PolarHBondContact OE1-N 2.86Å; E278-S2206 PolarHBondContact OE1-OG 2.79Å; E278-S2206 WeakPolarHBondContact OE2-CB 3.39Å; E278-S2206 PolarHBondContact OE2-OG 2.97Å; S2206-E2208 PolarHBondContact O-N 2.79Å; S2206-I2209 PolarHBondContact O-N 3.33Å
2207	D	46.1	Very low	63.1	Low	64 Å²	64	38.8 Å²	38.8	34%	0.342	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-45.1	-38.3	-170	-122.3	61.9	0	0	0	112.1	G256 V275 V276 K2210	G256-D2207 WeakPolarHBondContact CA-OD2 3.19Å; G256-D2207 PolarHBondContact N-OD2 3.36Å; V275-D2207 HydrophobicContact CB-CB 4.35Å; V275-D2207 WeakPolarHBondContact CB-OD1 3.07Å; V275-D2207 HydrophobicContact CG1-CB 4.03Å; V275-D2207 WeakPolarHBondContact CG1-O 3Å; V275-D2207 WeakPolarHBondContact CG1-OD1 3.22Å; V275-D2207 WeakPolarHBondContact CG2-OD1 3.26Å; V276-D2207 PolarHBondContact O-N 3.45Å; D2207-K2210 PolarHBondContact O-NZ 3.44Å
2208	E	49.9	Very low	63.1	Low	121 Å²	121	38.5 Å²	38.5	57%	0.565	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.8	-15.2	-169.3	-70.3	164.9	153.1	0	0	113.5	S2206 K2210 L2257	S2206-E2208 PolarHBondContact O-N 2.79Å; E2208-K2210 PolarHBondContact O-N 2.76Å; E2208-L2257 HydrophobicContact CB-CD1 4.25Å
2209	I	53.3	Low	63.5	Low	22 Å²	22	36.6 Å²	36.6	11%	0.113	19%	0.19	C	C	.	.			trans	-79.3	105.2	177.3	-56.3	-171.8	0	0	0	111.9	E278 L2142 W2205 S2206 L2257 P2259	E278-I2209 VanDerWaalsContact OE1-CD1 3.25Å; E278-I2209 WeakPolarHBondContact OE1-CD1 2.96Å; L2142-I2209 HydrophobicContact CD2-CG2 3.43Å; L2142-I2209 VanDerWaalsContact CD2-CG2 3.43Å; W2205-I2209 HydrophobicContact CE3-CD1 4.05Å; W2205-I2209 HydrophobicContact CE3-CG2 4.23Å; S2206-I2209 PolarHBondContact O-N 3.33Å; I2209-L2257 HydrophobicContact CD1-CB 3.73Å; I2209-L2257 HydrophobicContact CG1-CB 3.83Å; I2209-L2257 HydrophobicContact CG1-CD1 4.13Å; I2209-P2259 HydrophobicContact CD1-CG 3.52Å
2210	K	46.9	Very low	64	Low	48 Å²	48	35.9 Å²	35.9	21%	0.209	18%	0.184	C	C	.	.			trans	-137.7	10	-173.3	-84.2	-172.4	177.3	101.1	0	118.2	I258 K273 E274 D2207 E2208	I258-K2210 HydrophobicContact CB-CD 3.74Å; I258-K2210 HydrophobicContact CD1-CD 4.26Å; I258-K2210 HydrophobicContact CG2-CD 3.25Å; K273-K2210 VanDerWaalsContact O-CE 3.24Å; K273-K2210 WeakPolarHBondContact O-CE 3.37Å; K273-K2210 PolarHBondContact O-NZ 2.76Å; E274-K2210 WeakPolarHBondContact O-CE 3.48Å; E274-K2210 PolarHBondContact O-NZ 2.71Å; D2207-K2210 PolarHBondContact O-NZ 3.44Å; E2208-K2210 PolarHBondContact O-N 2.76Å
2211	G	57.4	Low	65.1	Low	10 Å²	10	34.8 Å²	34.8	10%	0.103	18%	0.177	C	C	.	.			trans	-140.4	154	175.3	0	0	0	0	0	112.1
2212	G	74.4	Confident	66.2	Low	2 Å²	2	33.6 Å²	33.6	2%	0.021	16%	0.163	C	C	.	.	B	Isolated β-bridge	trans	132.1	-169.3	175.5	0	0	0	0	0	114.9	V2143 L2151 F2153	V2143-G2212 CarbonylContact O-C 2.83Å; V2143-G2212 WeakPolarHBondContact O-CA 3.21Å; L2151-G2212 VanDerWaalsContact O-CA 3.32Å; L2151-G2212 WeakPolarHBondContact O-CA 3.29Å; L2151-G2212 PolarHBondContact O-N 2.83Å; F2153-G2212 PolarHBondContact N-O 2.89Å
2213	L	79.8	Confident	66.9	Low	0 Å²	0	30.6 Å²	30.6	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	130.7	174.6	-71.7	174.3	0	0	0	107.8	L2142 V2143 L2151 F2153 F2157 L2168 I2197 F2215	L2142-L2213 WeakPolarHBondContact CD1-O 3.46Å; V2143-L2213 PolarHBondContact N-O 3.05Å; V2143-L2213 PolarHBondContact O-N 2.91Å; L2151-L2213 HydrophobicContact CB-CD1 4.24Å; L2151-L2213 HydrophobicContact CB-CG 4.13Å; L2151-L2213 HydrophobicContact CD1-CD1 4.27Å; L2151-L2213 HydrophobicContact CD2-CD1 4.2Å; L2151-L2213 HydrophobicContact CG-CD1 4.48Å; F2153-L2213 VanDerWaalsContact CA-CD2 3.5Å; F2153-L2213 HydrophobicContact CB-CD2 4.06Å; F2153-L2213 HydrophobicContact CD2-CD2 3.72Å; F2153-L2213 HydrophobicContact CG-CD2 4.32Å; F2157-L2213 HydrophobicContact CD2-CD1 4.2Å; F2157-L2213 HydrophobicContact CD2-CD2 3.77Å; F2157-L2213 HydrophobicContact CE2-CD1 4.21Å; F2157-L2213 HydrophobicContact CE2-CD2 4.21Å; F2157-L2213 HydrophobicContact CG-CD1 4.36Å; F2157-L2213 HydrophobicContact CG-CD2 4.33Å; F2157-L2213 HydrophobicContact CZ-CD1 4.38Å; L2168-L2213 HydrophobicContact CD1-CD1 3.59Å; I2197-L2213 HydrophobicContact CG2-CB 3.74Å; I2197-L2213 HydrophobicContact CG2-CD1 4.33Å; I2197-L2213 HydrophobicContact CG2-CD2 3.93Å; I2197-L2213 HydrophobicContact CG2-CG 4.21Å; L2213-F2215 HydrophobicContact CB-CD2 4.07Å; L2213-F2215 HydrophobicContact CB-CE2 3.66Å; L2213-F2215 HydrophobicContact CD1-CE2 4.27Å; L2213-F2215 WeakPolarHBondContact O-CD2 2.99Å; L2213-F2215 PolarHBondContact O-N 3.42Å
2214	L	81.2	Confident	67.5	Low	2 Å²	2	29.3 Å²	29.3	1%	0.01	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	100.3	-179.9	-173.9	72.4	0	0	0	109.3	P2140 L2142 L2198 P2200 F2203 W2205 N2216	P2140-L2214 HydrophobicContact CB-CD1 4.21Å; P2140-L2214 HydrophobicContact CB-CG 4.44Å; L2142-L2214 HydrophobicContact CB-CD1 4.09Å; L2198-L2214 HydrophobicContact CB-CB 4.11Å; L2198-L2214 HydrophobicContact CB-CD2 4.23Å; L2198-L2214 HydrophobicContact CD1-CD2 4.45Å; L2198-L2214 PolarHBondContact N-O 3.44Å; L2198-L2214 PolarHBondContact O-N 3.48Å; P2200-L2214 HydrophobicContact CB-CB 4.33Å; F2203-L2214 HydrophobicContact CD2-CD2 3.78Å; F2203-L2214 HydrophobicContact CE2-CD2 3.41Å; F2203-L2214 VanDerWaalsContact CE2-CD2 3.41Å; F2203-L2214 HydrophobicContact CZ-CD2 4.23Å; W2205-L2214 HydrophobicContact CH2-CD1 3.62Å; W2205-L2214 HydrophobicContact CZ2-CD1 3.79Å; L2214-N2216 PolarHBondContact O-N 3.31Å
2215	F	83.9	Confident	68.6	Low	0 Å²	0	28.9 Å²	28.9	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	119.2	178.5	-72.8	-113.4	0	0	0	109	P2140 L2141 V2143 L2168 F2172 L2194 I2197 L2213 F2217 L2252	P2140-F2215 CarbonylContact C-O 3.56Å; P2140-F2215 WeakPolarHBondContact CA-O 3.25Å; L2141-F2215 PolarHBondContact N-O 2.7Å; L2141-F2215 PolarHBondContact O-N 3.42Å; V2143-F2215 HydrophobicContact CB-CD2 3.85Å; V2143-F2215 HydrophobicContact CB-CE2 3.67Å; V2143-F2215 HydrophobicContact CG1-CE2 4.36Å; V2143-F2215 HydrophobicContact CG2-CD2 3.32Å; V2143-F2215 HydrophobicContact CG2-CE2 3.55Å; V2143-F2215 HydrophobicContact CG2-CG 4.12Å; V2143-F2215 HydrophobicContact CG2-CZ 4.49Å; L2168-F2215 HydrophobicContact CB-CE1 4.36Å; L2168-F2215 HydrophobicContact CB-CZ 4.1Å; F2172-F2215 HydrophobicContact CB-CD1 3.73Å; F2172-F2215 HydrophobicContact CB-CE1 3.49Å; F2172-F2215 VanDerWaalsContact CB-CE1 3.49Å; F2172-F2215 HydrophobicContact CB-CZ 4.31Å; F2172-F2215 HydrophobicContact CD1-CB 4.34Å; F2172-F2215 AromaticContact CD1-CD1 3.7Å; F2172-F2215 HydrophobicContact CD1-CD1 3.7Å; F2172-F2215 HydrophobicContact CD1-CE1 4.37Å; F2172-F2215 HydrophobicContact CD1-CG 4.32Å; F2172-F2215 HydrophobicContact CD2-CB 3.99Å; F2172-F2215 AromaticContact CD2-CD1 3.39Å; F2172-F2215 HydrophobicContact CD2-CD1 3.39Å; F2172-F2215 HydrophobicContact CD2-CD2 4.06Å; F2172-F2215 AromaticContact CD2-CE1 3.75Å; F2172-F2215 HydrophobicContact CD2-CE1 3.75Å; F2172-F2215 HydrophobicContact CD2-CE2 4.36Å; F2172-F2215 AromaticContact CD2-CG 3.56Å; F2172-F2215 HydrophobicContact CD2-CG 3.56Å; F2172-F2215 HydrophobicContact CD2-CZ 4.21Å; F2172-F2215 HydrophobicContact CE1-CB 3.91Å; F2172-F2215 HydrophobicContact CE1-CD1 4.15Å; F2172-F2215 HydrophobicContact CE1-CG 4.36Å; F2172-F2215 HydrophobicContact CE2-CB 3.5Å; F2172-F2215 VanDerWaalsContact CE2-CB 3.5Å; F2172-F2215 AromaticContact CE2-CD1 3.87Å; F2172-F2215 HydrophobicContact CE2-CD1 3.87Å; F2172-F2215 HydrophobicContact CE2-CD2 4.15Å; F2172-F2215 AromaticContact CE2-CG 3.6Å; F2172-F2215 HydrophobicContact CE2-CG 3.6Å; F2172-F2215 HydrophobicContact CG-CB 4.38Å; F2172-F2215 AromaticContact CG-CD1 3.29Å; F2172-F2215 HydrophobicContact CG-CD1 3.29Å; F2172-F2215 AromaticContact CG-CE1 3.61Å; F2172-F2215 HydrophobicContact CG-CE1 3.61Å; F2172-F2215 AromaticContact CG-CG 3.94Å; F2172-F2215 HydrophobicContact CG-CG 3.94Å; F2172-F2215 HydrophobicContact CG-CZ 4.45Å; F2172-F2215 HydrophobicContact CZ-CB 3.47Å; F2172-F2215 VanDerWaalsContact CZ-CB 3.47Å; F2172-F2215 HydrophobicContact CZ-CD1 4.23Å; F2172-F2215 HydrophobicContact CZ-CG 4.02Å; L2194-F2215 HydrophobicContact CD1-CB 3.96Å; L2194-F2215 HydrophobicContact CD1-CD1 3.71Å; L2194-F2215 HydrophobicContact CD1-CG 4.3Å; L2194-F2215 HydrophobicContact CD2-CD1 3.81Å; L2194-F2215 HydrophobicContact CD2-CE1 4.14Å; L2194-F2215 HydrophobicContact CG-CD1 4.47Å; I2197-F2215 HydrophobicContact CD1-CD1 3.92Å; I2197-F2215 HydrophobicContact CD1-CE1 3.41Å; I2197-F2215 VanDerWaalsContact CD1-CE1 3.41Å; I2197-F2215 HydrophobicContact CD1-CE2 4.27Å; I2197-F2215 HydrophobicContact CD1-CZ 3.63Å; I2197-F2215 HydrophobicContact CG1-CD1 3.88Å; I2197-F2215 HydrophobicContact CG1-CE1 3.92Å; I2197-F2215 HydrophobicContact CG1-CG 4.3Å; I2197-F2215 HydrophobicContact CG1-CZ 4.38Å; L2213-F2215 HydrophobicContact CB-CD2 4.07Å; L2213-F2215 HydrophobicContact CB-CE2 3.66Å; L2213-F2215 HydrophobicContact CD1-CE2 4.27Å; L2213-F2215 WeakPolarHBondContact O-CD2 2.99Å; L2213-F2215 PolarHBondContact O-N 3.42Å; F2215-F2217 WeakPolarHBondContact O-CD1 3.31Å; F2215-L2252 HydrophobicContact CZ-CD1 4.3Å
2216	N	78.3	Confident	69.1	Low	20 Å²	20	28.5 Å²	28.5	11%	0.107	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	114.7	173.8	169.9	3.9	0	0	0	107.8	T2138 L2194 N2195 E2196 L2198 L2214	T2138-N2216 WeakPolarHBondContact CG2-OD1 3.45Å; L2194-N2216 WeakPolarHBondContact CD1-O 3.28Å; N2195-N2216 WeakPolarHBondContact CA-O 3.29Å; N2195-N2216 WeakPolarHBondContact CB-O 2.97Å; N2195-N2216 PolarHBondContact N-O 2.98Å; N2195-N2216 PolarHBondContact ND2-OD1 3.15Å; N2195-N2216 VanDerWaalsContact ND2-OD1 3.07Å; E2196-N2216 HydrophobicContact CG-CB 3.79Å; E2196-N2216 PolarHBondContact N-O 3.4Å; E2196-N2216 VanDerWaalsContact N-O 3.14Å; E2196-N2216 PolarHBondContact O-N 2.68Å; E2196-N2216 PolarHBondContact OE1-ND2 2.86Å; L2198-N2216 HydrophobicContact CD1-CB 4.2Å; L2214-N2216 PolarHBondContact O-N 3.31Å
2217	F	82.4	Confident	69.9	Low	0 Å²	0	35.6 Å²	35.6	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	152.3	-172.8	60.8	-77.4	0	0	0	112.2	T2138 I2139 L2141 F2172 V2176 V2192 E2193 L2194 F2215 V2219 L2236	T2138-F2217 CarbonylContact C-O 3.42Å; T2138-F2217 WeakPolarHBondContact CA-O 3.2Å; I2139-F2217 HydrophobicContact CB-CE1 4.08Å; I2139-F2217 HydrophobicContact CB-CE2 3.96Å; I2139-F2217 HydrophobicContact CB-CZ 3.65Å; I2139-F2217 HydrophobicContact CD1-CE2 4.5Å; I2139-F2217 HydrophobicContact CG2-CE1 4.04Å; I2139-F2217 HydrophobicContact CG2-CE2 4.34Å; I2139-F2217 HydrophobicContact CG2-CZ 3.6Å; I2139-F2217 PolarHBondContact N-O 2.04Å; I2139-F2217 WeakPolarHBondContact O-CD1 3.43Å; I2139-F2217 WeakPolarHBondContact O-CE1 3.18Å; I2139-F2217 PolarHBondContact O-N 3.14Å; L2141-F2217 HydrophobicContact CB-CE1 3.71Å; L2141-F2217 HydrophobicContact CB-CZ 4.37Å; F2172-F2217 HydrophobicContact CE1-CB 4Å; F2172-F2217 AromaticContact CE1-CD1 3.47Å; F2172-F2217 HydrophobicContact CE1-CD1 3.47Å; F2172-F2217 VanDerWaalsContact CE1-CD1 3.47Å; F2172-F2217 HydrophobicContact CE1-CD2 4.26Å; F2172-F2217 HydrophobicContact CE1-CE1 4.03Å; F2172-F2217 AromaticContact CE1-CG 3.63Å; F2172-F2217 HydrophobicContact CE1-CG 3.63Å; F2172-F2217 AromaticContact CZ-CD1 3.44Å; F2172-F2217 HydrophobicContact CZ-CD1 3.44Å; F2172-F2217 VanDerWaalsContact CZ-CD1 3.44Å; F2172-F2217 AromaticContact CZ-CE1 3.58Å; F2172-F2217 HydrophobicContact CZ-CE1 3.58Å; F2172-F2217 HydrophobicContact CZ-CG 4.07Å; F2172-F2217 HydrophobicContact CZ-CZ 4.26Å; V2176-F2217 HydrophobicContact CG1-CD2 4.45Å; V2176-F2217 HydrophobicContact CG1-CE2 4.08Å; V2176-F2217 HydrophobicContact CG2-CE2 4.31Å; V2192-F2217 HydrophobicContact CG2-CB 4.22Å; V2192-F2217 HydrophobicContact CG2-CD2 3.7Å; V2192-F2217 HydrophobicContact CG2-CG 4.34Å; E2193-F2217 CarbonylContact O-C 3.58Å; E2193-F2217 WeakPolarHBondContact O-CA 3.49Å; E2193-F2217 WeakPolarHBondContact O-CB 3.22Å; L2194-F2217 HydrophobicContact CD1-CB 3.95Å; F2215-F2217 WeakPolarHBondContact O-CD1 3.31Å; F2217-V2219 HydrophobicContact CD2-CG1 3.77Å; F2217-V2219 HydrophobicContact CE2-CG1 3.67Å; F2217-L2236 HydrophobicContact CE2-CD2 3.76Å; F2217-L2236 HydrophobicContact CZ-CD2 3.41Å; F2217-L2236 VanDerWaalsContact CZ-CD2 3.41Å
2218	T	77.3	Confident	70.7	Confident	3 Å²	3	35.6 Å²	35.6	2%	0.018	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	126.2	175.1	-60.1	0	0	0	0	110.3	Y2137 T2138 V2192 E2193 N2195 Y2220	Y2137-T2218 CarbonylContact O-C 3.44Å; Y2137-T2218 WeakPolarHBondContact O-CA 3.37Å; T2138-T2218 PolarHBondContact OG1-OG1 3.34Å; V2192-T2218 WeakPolarHBondContact CA-O 3.08Å; E2193-T2218 PolarHBondContact N-O 3.41Å; E2193-T2218 PolarHBondContact O-N 3.15Å; N2195-T2218 PolarHBondContact ND2-N 3.27Å; N2195-T2218 PolarHBondContact ND2-OG1 2.72Å; N2195-T2218 PolarHBondContact OD1-OG1 2.85Å; T2218-Y2220 HydrophobicContact CG2-CD2 4.34Å; T2218-Y2220 HydrophobicContact CG2-CE1 4.26Å; T2218-Y2220 HydrophobicContact CG2-CE2 3.75Å
2219	V	84	Confident	71.6	Confident	0 Å²	0	36.4 Å²	36.4	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	139.9	172.5	-69.1	0	0	0	0	109.9	S2136 Y2137 I2139 V2176 Y2180 F2189 V2192 F2217 F2221	S2136-V2219 CarbonylContact C-O 2.77Å; S2136-V2219 WeakPolarHBondContact CA-O 3.04Å; Y2137-V2219 PolarHBondContact N-O 3.24Å; Y2137-V2219 WeakPolarHBondContact O-CG2 3.38Å; Y2137-V2219 PolarHBondContact O-N 3.3Å; I2139-V2219 HydrophobicContact CD1-CG2 3.61Å; I2139-V2219 HydrophobicContact CG1-CG2 4.26Å; V2176-V2219 HydrophobicContact CG1-CG1 4.23Å; Y2180-V2219 HydrophobicContact CE2-CB 4.5Å; Y2180-V2219 HydrophobicContact CE2-CG1 3.72Å; F2189-V2219 HydrophobicContact CE2-CB 4.26Å; F2189-V2219 HydrophobicContact CE2-CG1 4.16Å; V2192-V2219 HydrophobicContact CB-CG1 4.26Å; V2192-V2219 HydrophobicContact CG2-CG1 4.13Å; F2217-V2219 HydrophobicContact CD2-CG1 3.77Å; F2217-V2219 HydrophobicContact CE2-CG1 3.67Å; V2219-F2221 HydrophobicContact CB-CE2 3.91Å; V2219-F2221 HydrophobicContact CG2-CD2 4.43Å; V2219-F2221 HydrophobicContact CG2-CE2 3.67Å
2220	Y	79.4	Confident	72.5	Confident	26 Å²	26	36.6 Å²	36.6	10%	0.102	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	131.1	-178.2	-63	-95.3	0	0	0	109.7	L2134 Q2135 I2190 R2191 E2193 T2218	L2134-Y2220 HydrophobicContact CB-CD1 4.43Å; L2134-Y2220 HydrophobicContact CD1-CD1 3.91Å; Q2135-Y2220 WeakPolarHBondContact O-CA 3.04Å; I2190-Y2220 WeakPolarHBondContact CA-O 3.06Å; I2190-Y2220 PolarHBondContact N-O 2.77Å; R2191-Y2220 HydrophobicContact CG-CD2 3.51Å; R2191-Y2220 HydrophobicContact CG-CE2 4.32Å; R2191-Y2220 HydrophobicContact CG-CG 3.92Å; R2191-Y2220 PolarHBondContact N-O 2.86Å; R2191-Y2220 VanDerWaalsContact NH2-CE2 3.3Å; R2191-Y2220 PolarHBondContact NH2-OH 2.87Å; R2191-Y2220 PolarHBondContact O-N 2.88Å; E2193-Y2220 HydrophobicContact CB-CE2 3.96Å; T2218-Y2220 HydrophobicContact CG2-CD2 4.34Å; T2218-Y2220 HydrophobicContact CG2-CE1 4.26Å; T2218-Y2220 HydrophobicContact CG2-CE2 3.75Å
2221	F	84.9	Confident	73.9	Confident	1 Å²	1	35.8 Å²	35.8	0%	0.004	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	166.8	175.1	-64.5	-97.8	0	0	0	109.9	L2134 Q2135 Y2137 Y2180 V2185 H2188 F2189 V2219 L2226 A2232	L2134-F2221 WeakPolarHBondContact CA-O 3.09Å; Q2135-F2221 PolarHBondContact N-O 2.89Å; Q2135-F2221 PolarHBondContact O-N 3.32Å; Y2137-F2221 HydrophobicContact CD2-CD2 4.14Å; Y2137-F2221 HydrophobicContact CD2-CE2 4.34Å; Y2137-F2221 HydrophobicContact CE2-CD2 4.38Å; Y2180-F2221 HydrophobicContact CD1-CZ 4.2Å; Y2180-F2221 AromaticContact CE1-CZ 3.82Å; Y2180-F2221 HydrophobicContact CE1-CZ 3.82Å; V2185-F2221 HydrophobicContact CB-CE1 4.28Å; V2185-F2221 HydrophobicContact CG2-CE1 4.04Å; H2188-F2221 HydrophobicContact CB-CD1 4.49Å; H2188-F2221 CarbonylContact O-C 3.5Å; H2188-F2221 VanDerWaalsContact O-CA 3.31Å; H2188-F2221 WeakPolarHBondContact O-CA 3.43Å; F2189-F2221 VanDerWaalsContact CA-CD1 3.46Å; F2189-F2221 HydrophobicContact CB-CD1 3.94Å; F2189-F2221 HydrophobicContact CB-CE1 3.71Å; F2189-F2221 HydrophobicContact CD2-CD1 4.48Å; F2189-F2221 AromaticContact CD2-CE1 3.87Å; F2189-F2221 HydrophobicContact CD2-CE1 3.87Å; F2189-F2221 HydrophobicContact CD2-CE2 4.35Å; F2189-F2221 AromaticContact CD2-CZ 3.8Å; F2189-F2221 HydrophobicContact CD2-CZ 3.8Å; F2189-F2221 HydrophobicContact CG-CE1 4.29Å; V2219-F2221 HydrophobicContact CB-CE2 3.91Å; V2219-F2221 HydrophobicContact CG2-CD2 4.43Å; V2219-F2221 HydrophobicContact CG2-CE2 3.67Å; F2221-L2226 HydrophobicContact CD1-CD1 3.7Å; F2221-L2226 HydrophobicContact CD1-CG 4.36Å; F2221-L2226 HydrophobicContact CD2-CD1 3.63Å; F2221-L2226 HydrophobicContact CE1-CD1 3.64Å; F2221-L2226 HydrophobicContact CE2-CD1 3.55Å; F2221-L2226 HydrophobicContact CG-CD1 3.71Å; F2221-L2226 HydrophobicContact CZ-CD1 3.57Å; F2221-A2232 HydrophobicContact CE2-CB 4.3Å
2222	E	77.9	Confident	74.7	Confident	52 Å²	52	35.3 Å²	35.3	24%	0.243	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	129.5	164.6	174.9	164.9	-157.7	0	0	110.4	K2132 H2188 I2190 G2224 S2225	K2132-E2222 WeakPolarHBondContact CD-OE1 3.35Å; K2132-E2222 IonicContact NZ-OE1 2.88Å; K2132-E2222 PolarHBondContact NZ-OE1 3.35Å; K2132-E2222 IonicContact NZ-OE2 2.79Å; K2132-E2222 PolarHBondContact NZ-OE2 3.34Å; H2188-E2222 PolarHBondContact O-N 3.06Å; I2190-E2222 HydrophobicContact CD1-CB 4.19Å; E2222-G2224 PolarHBondContact O-N 3.47Å; E2222-S2225 WeakPolarHBondContact CB-OG 3.19Å; E2222-S2225 WeakPolarHBondContact O-CB 3.45Å; E2222-S2225 PolarHBondContact O-N 3.13Å; E2222-S2225 VanDerWaalsContact O-N 3.13Å; E2222-S2225 PolarHBondContact O-OG 3.43Å
2223	K	69.5	Low	75.1	Confident	100 Å²	100	35.2 Å²	35.2	44%	0.435	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.3	130.4	-177.2	177.6	-177	161	-168.3	0	112	D1451 E2133 Q2135	D1451-K2223 IonicContact OD2-NZ 2.94Å; E2133-K2223 HydrophobicContact CB-CB 4Å; E2133-K2223 HydrophobicContact CB-CD 3.97Å; E2133-K2223 PolarHBondContact O-N 2.9Å; E2133-K2223 VanDerWaalsContact OE2-CD 3.23Å; E2133-K2223 WeakPolarHBondContact OE2-CD 3.44Å; E2133-K2223 IonicContact OE2-NZ 2.64Å; E2133-K2223 PolarHBondContact OE2-NZ 2.65Å; Q2135-K2223 HydrophobicContact CB-CB 4.22Å
2224	G	67.3	Low	75	Confident	66 Å²	66	36.2 Å²	36.2	68%	0.68	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	79	13.2	-178.3	0	0	0	0	0	115.5	E2222	E2222-G2224 PolarHBondContact O-N 3.47Å
2225	S	69.2	Low	75.1	Confident	32 Å²	32	38 Å²	38	22%	0.224	20%	0.196	C	C	.	.	S	Bend	trans	-97.3	-2.2	-179.4	-52.6	0	0	0	0	115.3	H2188 E2222	H2188-S2225 VanDerWaalsContact CG-CB 3.43Å; H2188-S2225 VanDerWaalsContact ND1-CB 3.27Å; H2188-S2225 WeakPolarHBondContact ND1-CB 3.46Å; H2188-S2225 PolarHBondContact ND1-OG 3.2Å; E2222-S2225 WeakPolarHBondContact CB-OG 3.19Å; E2222-S2225 WeakPolarHBondContact O-CB 3.45Å; E2222-S2225 PolarHBondContact O-N 3.13Å; E2222-S2225 VanDerWaalsContact O-N 3.13Å; E2222-S2225 PolarHBondContact O-OG 3.43Å
2226	L	63.1	Low	75	Confident	17 Å²	17	38 Å²	38	9%	0.089	20%	0.196	C	C	.	.			trans	-141.9	141.6	177.1	-85.1	175.9	0	0	0	107.6	Y2137 V2185 F2221 T2231 A2232	Y2137-L2226 HydrophobicContact CD2-CD1 4.34Å; Y2137-L2226 HydrophobicContact CE2-CB 4.02Å; Y2137-L2226 HydrophobicContact CE2-CD1 3.86Å; Y2137-L2226 PolarHBondContact OH-O 2.86Å; V2185-L2226 HydrophobicContact CB-CD2 4.47Å; V2185-L2226 HydrophobicContact CG1-CD2 3.81Å; F2221-L2226 HydrophobicContact CD1-CD1 3.7Å; F2221-L2226 HydrophobicContact CD1-CG 4.36Å; F2221-L2226 HydrophobicContact CD2-CD1 3.63Å; F2221-L2226 HydrophobicContact CE1-CD1 3.64Å; F2221-L2226 HydrophobicContact CE2-CD1 3.55Å; F2221-L2226 HydrophobicContact CG-CD1 3.71Å; F2221-L2226 HydrophobicContact CZ-CD1 3.57Å; L2226-T2231 HydrophobicContact CD2-CG2 3.61Å; L2226-A2232 HydrophobicContact CD1-CB 4.06Å
2227	E	61	Low	75.3	Confident	161 Å²	161	38 Å²	38	75%	0.752	20%	0.195	S	C	*	.	S	Bend	trans	-73.8	-43.6	179.7	-60.3	-177.2	130.5	0	0	110.2	K322	K322-E2227 IonicContact NZ-OE2 2.68Å
2228	D	63.8	Low	75.2	Confident	64 Å²	64	44.6 Å²	44.6	34%	0.342	22%	0.221	S	C	.	.			trans	-149.1	-175.9	-174.3	63.8	60.3	0	0	0	114.4	Q2230 T2231	D2228-Q2230 WeakPolarHBondContact OD1-CA 3.34Å; D2228-Q2230 WeakPolarHBondContact OD1-CB 3.16Å; D2228-Q2230 PolarHBondContact OD1-N 2.94Å; D2228-T2231 WeakPolarHBondContact OD1-CB 3.31Å; D2228-T2231 PolarHBondContact OD1-N 3.31Å; D2228-T2231 PolarHBondContact OD1-OG1 2.76Å; D2228-T2231 PolarHBondContact OD2-OG1 3.34Å
2229	R	67.7	Low	75.3	Confident	138 Å²	138	44.4 Å²	44.4	52%	0.521	22%	0.22	S	C	.	.	S	Bend	trans	-81.5	-25.5	178.9	63.7	-173.8	-179.1	179.6	-3.4	114.4	Y2137 A2232 W2233 F2262	Y2137-R2229 HydrophobicContact CD1-CB 3.62Å; Y2137-R2229 HydrophobicContact CE1-CB 4.17Å; Y2137-R2229 HydrophobicContact CG-CB 4.15Å; R2229-A2232 WeakPolarHBondContact O-CB 3.12Å; R2229-A2232 PolarHBondContact O-N 2.85Å; R2229-W2233 PolarHBondContact O-N 3.28Å; R2229-F2262 HydrophobicContact CB-CE1 4.24Å; R2229-F2262 HydrophobicContact CB-CZ 4.04Å; R2229-F2262 HydrophobicContact CG-CD1 3.83Å; R2229-F2262 HydrophobicContact CG-CE1 3.46Å; R2229-F2262 VanDerWaalsContact CG-CE1 3.46Å; R2229-F2262 HydrophobicContact CG-CE2 4.36Å; R2229-F2262 HydrophobicContact CG-CG 4.47Å; R2229-F2262 HydrophobicContact CG-CZ 3.73Å; R2229-F2262 VanDerWaalsContact NE-CE1 3.32Å; R2229-F2262 WeakPolarHBondContact O-CE2 3.21Å
2230	Q	72.1	Confident	75	Confident	27 Å²	27	44.4 Å²	44.4	13%	0.126	22%	0.22	C	C	.	.	H	α-helix	trans	-74.5	-46.2	-178.4	172.4	167.7	-15.7	0	0	110.4	D2228 A2232 W2233 E2234 F2262	D2228-Q2230 WeakPolarHBondContact OD1-CA 3.34Å; D2228-Q2230 WeakPolarHBondContact OD1-CB 3.16Å; D2228-Q2230 PolarHBondContact OD1-N 2.94Å; Q2230-A2232 PolarHBondContact O-N 2.63Å; Q2230-A2232 VanDerWaalsContact O-N 3.08Å; Q2230-W2233 PolarHBondContact O-N 2.99Å; Q2230-E2234 HydrophobicContact CG-CG 4.14Å; Q2230-E2234 WeakPolarHBondContact CG-OE1 3.1Å; Q2230-E2234 PolarHBondContact NE2-OE1 2.88Å; Q2230-E2234 WeakPolarHBondContact O-CG 3.23Å; Q2230-E2234 PolarHBondContact O-N 2.84Å; Q2230-F2262 VanDerWaalsContact CA-CD2 3.42Å; Q2230-F2262 HydrophobicContact CB-CB 3.91Å; Q2230-F2262 HydrophobicContact CB-CD2 3.67Å; Q2230-F2262 HydrophobicContact CB-CE2 4.46Å; Q2230-F2262 HydrophobicContact CB-CG 3.83Å; Q2230-F2262 HydrophobicContact CG-CB 4.02Å; Q2230-F2262 HydrophobicContact CG-CD2 4.07Å; Q2230-F2262 HydrophobicContact CG-CG 4.33Å
2231	T	76.2	Confident	74.9	Confident	30 Å²	30	45.7 Å²	45.7	18%	0.184	23%	0.23	C	C	.	.	H	α-helix	trans	-49.8	-36.1	169.6	-54.7	0	0	0	0	111.6	L2226 D2228 Q2235	L2226-T2231 HydrophobicContact CD2-CG2 3.61Å; D2228-T2231 WeakPolarHBondContact OD1-CB 3.31Å; D2228-T2231 PolarHBondContact OD1-N 3.31Å; D2228-T2231 PolarHBondContact OD1-OG1 2.76Å; D2228-T2231 PolarHBondContact OD2-OG1 3.34Å; T2231-Q2235 WeakPolarHBondContact O-CB 3.15Å; T2231-Q2235 WeakPolarHBondContact O-CG 3.32Å; T2231-Q2235 PolarHBondContact O-N 2.84Å
2232	A	74.4	Confident	74.3	Confident	0 Å²	0	48.8 Å²	48.8	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-69.6	-40.3	176.4	0	0	0	0	0	113.1	Y2137 I2139 Y2180 F2221 L2226 R2229 Q2230 L2236	Y2137-A2232 HydrophobicContact CD2-CB 4.2Å; I2139-A2232 HydrophobicContact CD1-CB 3.87Å; Y2180-A2232 WeakPolarHBondContact CE1-O 3.08Å; Y2180-A2232 PolarHBondContact OH-O 3.22Å; F2221-A2232 HydrophobicContact CE2-CB 4.3Å; L2226-A2232 HydrophobicContact CD1-CB 4.06Å; R2229-A2232 WeakPolarHBondContact O-CB 3.12Å; R2229-A2232 PolarHBondContact O-N 2.85Å; Q2230-A2232 PolarHBondContact O-N 2.63Å; Q2230-A2232 VanDerWaalsContact O-N 3.08Å; A2232-L2236 PolarHBondContact O-N 3.38Å
2233	W	83.5	Confident	74.1	Confident	0 Å²	0	48.4 Å²	48.4	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-72.4	-43.9	174.8	179.4	98.9	0	0	0	111.6	D286 I2139 R2229 Q2230 Q2235 L2236 F2237 Q2258 N2260 P2261 F2262	D286-W2233 HydrophobicContact CB-CZ3 3.94Å; I2139-W2233 HydrophobicContact CD1-CB 4.49Å; I2139-W2233 HydrophobicContact CG2-CB 4.17Å; I2139-W2233 HydrophobicContact CG2-CG 4.26Å; R2229-W2233 PolarHBondContact O-N 3.28Å; Q2230-W2233 PolarHBondContact O-N 2.99Å; W2233-Q2235 VanDerWaalsContact C-N 3.31Å; W2233-Q2235 PolarHBondContact O-N 3.13Å; W2233-L2236 CarbonylContact O-C 3.46Å; W2233-L2236 WeakPolarHBondContact O-CA 3.5Å; W2233-L2236 WeakPolarHBondContact O-CB 3.31Å; W2233-L2236 PolarHBondContact O-N 3.24Å; W2233-F2237 HydrophobicContact CD2-CB 3.96Å; W2233-F2237 HydrophobicContact CE3-CB 3.75Å; W2233-F2237 HydrophobicContact CE3-CG 4.4Å; W2233-F2237 HydrophobicContact CH2-CB 3.34Å; W2233-F2237 AromaticContact CH2-CD1 3.26Å; W2233-F2237 HydrophobicContact CH2-CD1 3.26Å; W2233-F2237 AromaticContact CH2-CD2 3.59Å; W2233-F2237 HydrophobicContact CH2-CD2 3.59Å; W2233-F2237 AromaticContact CH2-CE1 3.87Å; W2233-F2237 HydrophobicContact CH2-CE1 3.87Å; W2233-F2237 HydrophobicContact CH2-CE2 4.17Å; W2233-F2237 AromaticContact CH2-CG 3.08Å; W2233-F2237 HydrophobicContact CH2-CG 3.08Å; W2233-F2237 HydrophobicContact CH2-CZ 4.29Å; W2233-F2237 HydrophobicContact CZ2-CB 3.57Å; W2233-F2237 HydrophobicContact CZ2-CD1 4.15Å; W2233-F2237 AromaticContact CZ2-CD2 3.63Å; W2233-F2237 HydrophobicContact CZ2-CD2 3.63Å; W2233-F2237 HydrophobicContact CZ2-CE2 4.34Å; W2233-F2237 AromaticContact CZ2-CG 3.52Å; W2233-F2237 HydrophobicContact CZ2-CG 3.52Å; W2233-F2237 HydrophobicContact CZ3-CB 3.41Å; W2233-F2237 VanDerWaalsContact CZ3-CB 3.41Å; W2233-F2237 AromaticContact CZ3-CD1 3.56Å; W2233-F2237 HydrophobicContact CZ3-CD1 3.56Å; W2233-F2237 HydrophobicContact CZ3-CD2 4.47Å; W2233-F2237 HydrophobicContact CZ3-CE1 4.44Å; W2233-F2237 AromaticContact CZ3-CG 3.58Å; W2233-F2237 HydrophobicContact CZ3-CG 3.58Å; W2233-F2237 PolarHBondContact O-N 3.26Å; W2233-Q2258 HydrophobicContact CZ2-CG 4.18Å; W2233-N2260 HydrophobicContact CD2-CB 4.15Å; W2233-N2260 HydrophobicContact CE3-CB 3.7Å; W2233-N2260 VanDerWaalsContact CE3-CG 3.46Å; W2233-N2260 HydrophobicContact CH2-CB 3.41Å; W2233-N2260 VanDerWaalsContact CH2-CB 3.41Å; W2233-N2260 HydrophobicContact CZ2-CB 3.85Å; W2233-N2260 HydrophobicContact CZ3-CB 3.35Å; W2233-P2261 HydrophobicContact CB-CG 4.47Å; W2233-P2261 VanDerWaalsContact CD1-CD 3.43Å; W2233-P2261 VanDerWaalsContact CD1-CG 3.44Å; W2233-P2261 HydrophobicContact CD2-CG 4.46Å; W2233-P2261 HydrophobicContact CG-CG 3.89Å; W2233-P2261 VanDerWaalsContact NE1-CD 3.25Å; W2233-F2262 HydrophobicContact CB-CD2 4.35Å; W2233-F2262 HydrophobicContact CB-CE2 3.85Å
2234	E	78.5	Confident	74.5	Confident	22 Å²	22	49.5 Å²	49.5	10%	0.103	26%	0.264	C	S	.	.	H	α-helix	trans	-57.5	-44.6	-178.2	-73.8	176.9	-173.7	0	0	111.5	D286 Q2230 L2236 F2237 Y2238	D286-E2234 HydrophobicContact CB-CG 4.04Å; Q2230-E2234 HydrophobicContact CG-CG 4.14Å; Q2230-E2234 WeakPolarHBondContact CG-OE1 3.1Å; Q2230-E2234 PolarHBondContact NE2-OE1 2.88Å; Q2230-E2234 WeakPolarHBondContact O-CG 3.23Å; Q2230-E2234 PolarHBondContact O-N 2.84Å; E2234-L2236 VanDerWaalsContact C-N 3.31Å; E2234-L2236 PolarHBondContact O-N 2.71Å; E2234-F2237 PolarHBondContact O-N 3.35Å; E2234-Y2238 WeakPolarHBondContact O-CB 3.05Å; E2234-Y2238 PolarHBondContact O-N 3.08Å
2235	Q	81.7	Confident	75.3	Confident	38 Å²	38	49.6 Å²	49.6	18%	0.178	24%	0.244	C	C	.	.	H	α-helix	trans	-63.7	-36.6	175.6	-67.5	-63.2	-42.6	0	0	112.2	Y2180 T2183 V2185 T2231 W2233 S2239	Y2180-Q2235 HydrophobicContact CE1-CB 4.39Å; T2183-Q2235 HydrophobicContact CG2-CB 3.99Å; T2183-Q2235 WeakPolarHBondContact CG2-O 3.33Å; V2185-Q2235 HydrophobicContact CG1-CG 4.36Å; V2185-Q2235 HydrophobicContact CG2-CB 4.15Å; V2185-Q2235 HydrophobicContact CG2-CG 4.23Å; T2231-Q2235 WeakPolarHBondContact O-CB 3.15Å; T2231-Q2235 WeakPolarHBondContact O-CG 3.32Å; T2231-Q2235 PolarHBondContact O-N 2.84Å; W2233-Q2235 VanDerWaalsContact C-N 3.31Å; W2233-Q2235 PolarHBondContact O-N 3.13Å; Q2235-S2239 VanDerWaalsContact O-CB 3.27Å; Q2235-S2239 WeakPolarHBondContact O-CB 3.38Å; Q2235-S2239 PolarHBondContact O-N 2.03Å; Q2235-S2239 VanDerWaalsContact O-N 3.15Å
2236	L	83.3	Confident	75.9	Confident	0 Å²	0	48.3 Å²	48.3	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-70	-42.9	175.4	179.4	59	0	0	0	112.1	L2141 V2176 A2179 Y2180 F2217 A2232 W2233 E2234 S2239 C2240	L2141-L2236 HydrophobicContact CD2-CD2 4.29Å; V2176-L2236 HydrophobicContact CG1-CD1 4.13Å; V2176-L2236 HydrophobicContact CG1-CD2 4.33Å; V2176-L2236 HydrophobicContact CG2-CD1 4.37Å; V2176-L2236 HydrophobicContact CG2-CD2 4.44Å; A2179-L2236 HydrophobicContact CB-CD1 3.43Å; A2179-L2236 VanDerWaalsContact CB-CD1 3.43Å; Y2180-L2236 HydrophobicContact CD2-CD1 4.34Å; Y2180-L2236 HydrophobicContact CE1-CB 4.11Å; Y2180-L2236 HydrophobicContact CE2-CB 4.25Å; Y2180-L2236 HydrophobicContact CE2-CD1 4.06Å; Y2180-L2236 HydrophobicContact CE2-CD2 4.22Å; Y2180-L2236 HydrophobicContact CE2-CG 4.42Å; F2217-L2236 HydrophobicContact CE2-CD2 3.76Å; F2217-L2236 HydrophobicContact CZ-CD2 3.41Å; F2217-L2236 VanDerWaalsContact CZ-CD2 3.41Å; A2232-L2236 PolarHBondContact O-N 3.38Å; W2233-L2236 CarbonylContact O-C 3.46Å; W2233-L2236 WeakPolarHBondContact O-CA 3.5Å; W2233-L2236 WeakPolarHBondContact O-CB 3.31Å; W2233-L2236 PolarHBondContact O-N 3.24Å; E2234-L2236 VanDerWaalsContact C-N 3.31Å; E2234-L2236 PolarHBondContact O-N 2.71Å; L2236-S2239 WeakPolarHBondContact O-CB 3.48Å; L2236-S2239 PolarHBondContact O-N 2.89Å; L2236-C2240 PolarHBondContact O-N 3.19Å; L2236-C2240 PolarHBondContact O-SG 2.73Å
2237	F	84.2	Confident	76.9	Confident	20 Å²	20	47.5 Å²	47.5	9%	0.088	23%	0.231	C	C	.	.	H	α-helix	trans	-67.9	-48.9	179.1	178.8	-115.4	0	0	0	111.6	W2233 E2234 S2239 C2240 V2241 I2254 Q2258	W2233-F2237 HydrophobicContact CD2-CB 3.96Å; W2233-F2237 HydrophobicContact CE3-CB 3.75Å; W2233-F2237 HydrophobicContact CE3-CG 4.4Å; W2233-F2237 HydrophobicContact CH2-CB 3.34Å; W2233-F2237 AromaticContact CH2-CD1 3.26Å; W2233-F2237 HydrophobicContact CH2-CD1 3.26Å; W2233-F2237 AromaticContact CH2-CD2 3.59Å; W2233-F2237 HydrophobicContact CH2-CD2 3.59Å; W2233-F2237 AromaticContact CH2-CE1 3.87Å; W2233-F2237 HydrophobicContact CH2-CE1 3.87Å; W2233-F2237 HydrophobicContact CH2-CE2 4.17Å; W2233-F2237 AromaticContact CH2-CG 3.08Å; W2233-F2237 HydrophobicContact CH2-CG 3.08Å; W2233-F2237 HydrophobicContact CH2-CZ 4.29Å; W2233-F2237 HydrophobicContact CZ2-CB 3.57Å; W2233-F2237 HydrophobicContact CZ2-CD1 4.15Å; W2233-F2237 AromaticContact CZ2-CD2 3.63Å; W2233-F2237 HydrophobicContact CZ2-CD2 3.63Å; W2233-F2237 HydrophobicContact CZ2-CE2 4.34Å; W2233-F2237 AromaticContact CZ2-CG 3.52Å; W2233-F2237 HydrophobicContact CZ2-CG 3.52Å; W2233-F2237 HydrophobicContact CZ3-CB 3.41Å; W2233-F2237 VanDerWaalsContact CZ3-CB 3.41Å; W2233-F2237 AromaticContact CZ3-CD1 3.56Å; W2233-F2237 HydrophobicContact CZ3-CD1 3.56Å; W2233-F2237 HydrophobicContact CZ3-CD2 4.47Å; W2233-F2237 HydrophobicContact CZ3-CE1 4.44Å; W2233-F2237 AromaticContact CZ3-CG 3.58Å; W2233-F2237 HydrophobicContact CZ3-CG 3.58Å; W2233-F2237 PolarHBondContact O-N 3.26Å; E2234-F2237 PolarHBondContact O-N 3.35Å; F2237-S2239 PolarHBondContact O-N 3.48Å; F2237-C2240 CarbonylContact O-C 3.59Å; F2237-C2240 WeakPolarHBondContact O-CA 3.39Å; F2237-C2240 WeakPolarHBondContact O-CB 3.45Å; F2237-C2240 PolarHBondContact O-N 3.16Å; F2237-V2241 HydrophobicContact CD1-CG2 4.12Å; F2237-V2241 HydrophobicContact CD2-CG2 4.21Å; F2237-V2241 HydrophobicContact CE1-CG2 3.77Å; F2237-V2241 HydrophobicContact CE2-CG2 3.85Å; F2237-V2241 HydrophobicContact CG-CG2 4.33Å; F2237-V2241 HydrophobicContact CZ-CG2 3.62Å; F2237-V2241 WeakPolarHBondContact O-CG2 3.18Å; F2237-V2241 PolarHBondContact O-N 3.19Å; F2237-I2254 HydrophobicContact CD2-CD1 3.52Å; F2237-I2254 HydrophobicContact CE2-CD1 3.61Å; F2237-Q2258 HydrophobicContact CD2-CG 4.19Å; F2237-Q2258 HydrophobicContact CE2-CB 3.98Å; F2237-Q2258 HydrophobicContact CE2-CG 4.07Å
2238	Y	80.1	Confident	77.4	Confident	139 Å²	139	40.2 Å²	40.2	55%	0.545	20%	0.199	S	C	.	.	H	α-helix	trans	-52.1	-42.8	172.3	176.2	-100	0	0	0	111.6	E2234 V2241 S2242	E2234-Y2238 WeakPolarHBondContact O-CB 3.05Å; E2234-Y2238 PolarHBondContact O-N 3.08Å; Y2238-V2241 PolarHBondContact O-N 2.8Å; Y2238-S2242 VanDerWaalsContact O-CB 3.3Å; Y2238-S2242 WeakPolarHBondContact O-CB 3.25Å; Y2238-S2242 PolarHBondContact O-N 2.87Å; Y2238-S2242 PolarHBondContact O-OG 2.9Å
2239	S	79	Confident	77.6	Confident	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-63.1	-41.4	174.3	-175.1	0	0	0	0	113	A2179 I2182 Q2235 L2236 F2237 S2242 T2243	A2179-S2239 WeakPolarHBondContact CA-OG 3.03Å; A2179-S2239 WeakPolarHBondContact CB-OG 2.92Å; A2179-S2239 WeakPolarHBondContact O-CB 3.23Å; A2179-S2239 PolarHBondContact O-OG 3.46Å; I2182-S2239 WeakPolarHBondContact CD1-OG 3.14Å; I2182-S2239 WeakPolarHBondContact CG1-OG 3.36Å; Q2235-S2239 VanDerWaalsContact O-CB 3.27Å; Q2235-S2239 WeakPolarHBondContact O-CB 3.38Å; Q2235-S2239 PolarHBondContact O-N 2.03Å; Q2235-S2239 VanDerWaalsContact O-N 3.15Å; L2236-S2239 WeakPolarHBondContact O-CB 3.48Å; L2236-S2239 PolarHBondContact O-N 2.89Å; F2237-S2239 PolarHBondContact O-N 3.48Å; S2239-S2242 PolarHBondContact O-N 3.41Å; S2239-S2242 PolarHBondContact O-OG 2.98Å; S2239-T2243 PolarHBondContact O-N 3.19Å; S2239-T2243 VanDerWaalsContact O-N 3.17Å; S2239-T2243 PolarHBondContact O-OG1 3.17Å
2240	C	77.4	Confident	78.3	Confident	0 Å²	0	34.1 Å²	34.1	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-64	-49.1	174.4	-62	0	0	0	0	111.8	L2236 F2237 S2242 T2243 N2244 Y2245 S2246 I2254	L2236-C2240 PolarHBondContact O-N 3.19Å; L2236-C2240 PolarHBondContact O-SG 2.73Å; F2237-C2240 CarbonylContact O-C 3.59Å; F2237-C2240 WeakPolarHBondContact O-CA 3.39Å; F2237-C2240 WeakPolarHBondContact O-CB 3.45Å; F2237-C2240 PolarHBondContact O-N 3.16Å; C2240-S2242 VanDerWaalsContact C-N 3.33Å; C2240-S2242 PolarHBondContact O-N 3.04Å; C2240-T2243 CarbonylContact O-C 3.54Å; C2240-T2243 WeakPolarHBondContact O-CA 3.19Å; C2240-T2243 PolarHBondContact O-N 2.83Å; C2240-T2243 PolarHBondContact O-OG1 3.27Å; C2240-N2244 PolarHBondContact O-N 3.45Å; C2240-Y2245 VanDerWaalsContact O-CA 3.24Å; C2240-Y2245 WeakPolarHBondContact O-CA 3.39Å; C2240-Y2245 PolarHBondContact O-N 3.29Å; C2240-S2246 VanDerWaalsContact CA-O 3.24Å; C2240-S2246 WeakPolarHBondContact CA-O 3.39Å; C2240-I2254 HydrophobicContact CB-CD1 3.54Å; C2240-I2254 HydrophobicContact CB-CG1 4.22Å
2241	V	78.7	Confident	78.8	Confident	53 Å²	53	41.3 Å²	41.3	32%	0.321	22%	0.216	S	C	.	.	H	α-helix	trans	-54.7	-47.8	174.8	176.1	0	0	0	0	110.7	F2237 Y2238 T2243 N2244 Y2245	F2237-V2241 HydrophobicContact CD1-CG2 4.12Å; F2237-V2241 HydrophobicContact CD2-CG2 4.21Å; F2237-V2241 HydrophobicContact CE1-CG2 3.77Å; F2237-V2241 HydrophobicContact CE2-CG2 3.85Å; F2237-V2241 HydrophobicContact CG-CG2 4.33Å; F2237-V2241 HydrophobicContact CZ-CG2 3.62Å; F2237-V2241 WeakPolarHBondContact O-CG2 3.18Å; F2237-V2241 PolarHBondContact O-N 3.19Å; Y2238-V2241 PolarHBondContact O-N 2.8Å; V2241-T2243 PolarHBondContact O-N 3.47Å; V2241-T2243 VanDerWaalsContact O-N 3.14Å; V2241-N2244 WeakPolarHBondContact O-CA 3.02Å; V2241-N2244 PolarHBondContact O-N 3.07Å; V2241-Y2245 HydrophobicContact CB-CE1 4.5Å; V2241-Y2245 HydrophobicContact CG2-CD1 4.21Å; V2241-Y2245 HydrophobicContact CG2-CE1 3.75Å
2242	S	72.9	Confident	79.2	Confident	66 Å²	66	39.9 Å²	39.9	46%	0.462	21%	0.207	S	C	.	.	H	α-helix	trans	-62.9	-20.3	178.5	80.2	0	0	0	0	114.2	I2182 Y2238 S2239 C2240	I2182-S2242 WeakPolarHBondContact CD1-OG 3.11Å; Y2238-S2242 VanDerWaalsContact O-CB 3.3Å; Y2238-S2242 WeakPolarHBondContact O-CB 3.25Å; Y2238-S2242 PolarHBondContact O-N 2.87Å; Y2238-S2242 PolarHBondContact O-OG 2.9Å; S2239-S2242 PolarHBondContact O-N 3.41Å; S2239-S2242 PolarHBondContact O-OG 2.98Å; C2240-S2242 VanDerWaalsContact C-N 3.33Å; C2240-S2242 PolarHBondContact O-N 3.04Å
2243	T	73.6	Confident	79.5	Confident	44 Å²	44	42.7 Å²	42.7	27%	0.27	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.4	26.7	172.6	52	0	0	0	0	112.6	I2182 S2239 C2240 V2241 S2246	I2182-T2243 HydrophobicContact CD1-CG2 4.11Å; S2239-T2243 PolarHBondContact O-N 3.19Å; S2239-T2243 VanDerWaalsContact O-N 3.17Å; S2239-T2243 PolarHBondContact O-OG1 3.17Å; C2240-T2243 CarbonylContact O-C 3.54Å; C2240-T2243 WeakPolarHBondContact O-CA 3.19Å; C2240-T2243 PolarHBondContact O-N 2.83Å; C2240-T2243 PolarHBondContact O-OG1 3.27Å; V2241-T2243 PolarHBondContact O-N 3.47Å; V2241-T2243 VanDerWaalsContact O-N 3.14Å; T2243-S2246 WeakPolarHBondContact O-CB 3.46Å; T2243-S2246 PolarHBondContact O-N 3.1Å; T2243-S2246 PolarHBondContact OG1-O 2.97Å
2244	N	77.9	Confident	79.5	Confident	122 Å²	122	42.8 Å²	42.8	65%	0.652	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.5	55.7	178.6	-165.7	98.5	0	0	0	112	C2240 V2241 S2246 F2253	C2240-N2244 PolarHBondContact O-N 3.45Å; V2241-N2244 WeakPolarHBondContact O-CA 3.02Å; V2241-N2244 PolarHBondContact O-N 3.07Å; N2244-S2246 PolarHBondContact O-N 2.73Å; N2244-F2253 WeakPolarHBondContact O-CD1 2.87Å
2245	Y	83.7	Confident	79.1	Confident	69 Å²	69	42.8 Å²	42.8	27%	0.271	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.3	7.7	-177.1	-53.7	-82.9	0	0	0	115	C2240 V2241 F2253 I2254 P2256	C2240-Y2245 VanDerWaalsContact O-CA 3.24Å; C2240-Y2245 WeakPolarHBondContact O-CA 3.39Å; C2240-Y2245 PolarHBondContact O-N 3.29Å; V2241-Y2245 HydrophobicContact CB-CE1 4.5Å; V2241-Y2245 HydrophobicContact CG2-CD1 4.21Å; V2241-Y2245 HydrophobicContact CG2-CE1 3.75Å; Y2245-F2253 CarbonylContact O-C 3.4Å; Y2245-F2253 WeakPolarHBondContact O-CA 2.85Å; Y2245-I2254 HydrophobicContact CD1-CD1 4.29Å; Y2245-I2254 HydrophobicContact CD1-CG1 4.12Å; Y2245-I2254 WeakPolarHBondContact O-CG1 3.26Å; Y2245-I2254 PolarHBondContact O-N 2.03Å; Y2245-P2256 HydrophobicContact CD1-CB 4.38Å; Y2245-P2256 HydrophobicContact CD1-CG 4.45Å; Y2245-P2256 HydrophobicContact CD2-CB 4.46Å; Y2245-P2256 HydrophobicContact CD2-CG 4.02Å; Y2245-P2256 HydrophobicContact CE1-CB 3.99Å; Y2245-P2256 HydrophobicContact CE1-CG 4.47Å; Y2245-P2256 HydrophobicContact CE2-CB 4.09Å; Y2245-P2256 HydrophobicContact CE2-CG 4.05Å; Y2245-P2256 HydrophobicContact CG-CG 4.23Å
2246	S	81.4	Confident	78.3	Confident	5 Å²	5	43.9 Å²	43.9	4%	0.035	23%	0.231	C	C	.	.	B	Isolated β-bridge	trans	-71.3	139.8	170.1	176.8	0	0	0	0	110.3	C2240 T2243 N2244 G2248 G2249 T2250 L2252	C2240-S2246 VanDerWaalsContact CA-O 3.24Å; C2240-S2246 WeakPolarHBondContact CA-O 3.39Å; T2243-S2246 WeakPolarHBondContact O-CB 3.46Å; T2243-S2246 PolarHBondContact O-N 3.1Å; T2243-S2246 PolarHBondContact OG1-O 2.97Å; N2244-S2246 PolarHBondContact O-N 2.73Å; S2246-G2248 PolarHBondContact O-N 3.17Å; S2246-G2249 WeakPolarHBondContact OG-CA 3.37Å; S2246-G2249 PolarHBondContact OG-N 3.26Å; S2246-T2250 PolarHBondContact OG-N 3.07Å; S2246-T2250 PolarHBondContact OG-O 3.43Å; S2246-L2252 CarbonylContact C-O 3.12Å; S2246-L2252 WeakPolarHBondContact CA-O 3.1Å
2247	I	84.7	Confident	77.4	Confident	0 Å²	0	45 Å²	45	0%	0	24%	0.237	C	C	.	.	S	Bend	trans	-76.8	97.1	168.7	-51.5	-176.3	0	0	0	108.1	L2141 V2143 F2172 G2175 V2176 G2249 T2250 L2252 I2254	L2141-I2247 HydrophobicContact CD2-CD1 3.71Å; L2141-I2247 HydrophobicContact CD2-CG1 4.39Å; V2143-I2247 HydrophobicContact CG1-CD1 4.42Å; V2143-I2247 HydrophobicContact CG2-CD1 3.58Å; F2172-I2247 HydrophobicContact CD2-CD1 3.8Å; F2172-I2247 HydrophobicContact CE2-CD1 3.54Å; G2175-I2247 VanDerWaalsContact C-CG2 3.49Å; G2175-I2247 WeakPolarHBondContact CA-O 3.32Å; V2176-I2247 HydrophobicContact CG2-CG2 3.93Å; I2247-G2249 VanDerWaalsContact C-N 3.3Å; I2247-G2249 PolarHBondContact O-N 2.66Å; I2247-T2250 WeakPolarHBondContact O-CB 3.25Å; I2247-T2250 WeakPolarHBondContact O-CG2 3.13Å; I2247-T2250 PolarHBondContact O-N 2.99Å; I2247-T2250 VanDerWaalsContact O-N 3.12Å; I2247-T2250 PolarHBondContact O-OG1 2.77Å; I2247-L2252 HydrophobicContact CD1-CB 4.3Å; I2247-L2252 HydrophobicContact CG1-CB 4.42Å; I2247-L2252 PolarHBondContact N-O 2.73Å; I2247-I2254 HydrophobicContact CD1-CG2 3.9Å; I2247-I2254 HydrophobicContact CG1-CG2 3.91Å
2248	G	70	Confident	76.7	Confident	8 Å²	8	44.2 Å²	44.2	8%	0.082	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.8	25.7	173.8	0	0	0	0	0	115.3	G2175 Q2178 S2246	G2175-G2248 WeakPolarHBondContact O-CA 3.5Å; Q2178-G2248 WeakPolarHBondContact CB-O 3.38Å; Q2178-G2248 PolarHBondContact NE2-O 3.27Å; S2246-G2248 PolarHBondContact O-N 3.17Å
2249	G	68.4	Low	75.9	Confident	52 Å²	52	37.6 Å²	37.6	54%	0.536	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	79.1	15.3	-174.8	0	0	0	0	0	114.7	S2246 I2247	S2246-G2249 WeakPolarHBondContact OG-CA 3.37Å; S2246-G2249 PolarHBondContact OG-N 3.26Å; I2247-G2249 VanDerWaalsContact C-N 3.3Å; I2247-G2249 PolarHBondContact O-N 2.66Å
2250	T	83.6	Confident	75.3	Confident	22 Å²	22	37.6 Å²	37.6	14%	0.135	21%	0.207	C	C	.	.	S	Bend	trans	-80.2	179.4	168.2	67.4	0	0	0	0	111.3	G2175 S2246 I2247 L2252	G2175-T2250 VanDerWaalsContact CA-CG2 3.47Å; S2246-T2250 PolarHBondContact OG-N 3.07Å; S2246-T2250 PolarHBondContact OG-O 3.43Å; I2247-T2250 WeakPolarHBondContact O-CB 3.25Å; I2247-T2250 WeakPolarHBondContact O-CG2 3.13Å; I2247-T2250 PolarHBondContact O-N 2.99Å; I2247-T2250 VanDerWaalsContact O-N 3.12Å; I2247-T2250 PolarHBondContact O-OG1 2.77Å; T2250-L2252 VanDerWaalsContact C-N 3.26Å; T2250-L2252 PolarHBondContact OG1-N 2.82Å
2251	R	81	Confident	74.6	Confident	177 Å²	177	38 Å²	38	67%	0.668	21%	0.21	S	C	*	.	S	Bend	trans	-81.3	-4.3	171.4	-62.5	-175	-171.5	146	3.8	113.3	N2146 G2147 M2171 F2253	N2146-R2251 CarbonylContact C-O 3.32Å; N2146-R2251 VanDerWaalsContact CA-O 3.24Å; N2146-R2251 WeakPolarHBondContact CA-O 3.09Å; N2146-R2251 WeakPolarHBondContact OD1-CB 3.37Å; G2147-R2251 PolarHBondContact N-O 2.79Å; M2171-R2251 HydrophobicContact CE-CB 3.76Å; R2251-F2253 WeakPolarHBondContact O-CD2 3.29Å; R2251-F2253 VanDerWaalsContact O-CE2 3.25Å; R2251-F2253 WeakPolarHBondContact O-CE2 3.36Å; R2251-F2253 PolarHBondContact O-N 3.29Å
2252	L	84.9	Confident	74	Confident	0 Å²	0	36.6 Å²	36.6	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	125.3	172.4	-63.4	-168.4	0	0	0	108.3	V2143 Y2145 N2146 L2151 L2168 M2171 F2172 F2215 S2246 I2247 T2250	V2143-L2252 HydrophobicContact CG1-CB 3.68Å; V2143-L2252 HydrophobicContact CG1-CD1 4.35Å; V2143-L2252 HydrophobicContact CG1-CD2 4.19Å; V2143-L2252 HydrophobicContact CG1-CG 4.26Å; Y2145-L2252 WeakPolarHBondContact O-CA 3.04Å; N2146-L2252 HydrophobicContact CB-CD2 3.93Å; L2151-L2252 HydrophobicContact CD1-CD2 4.28Å; L2168-L2252 HydrophobicContact CD2-CD2 3.74Å; M2171-L2252 HydrophobicContact CB-CD1 4Å; M2171-L2252 HydrophobicContact CB-CG 4.13Å; M2171-L2252 HydrophobicContact CE-CD2 3.87Å; M2171-L2252 HydrophobicContact CE-CG 4Å; F2172-L2252 HydrophobicContact CB-CD1 3.65Å; F2172-L2252 HydrophobicContact CD2-CD1 3.99Å; F2172-L2252 HydrophobicContact CG-CD1 4.34Å; F2215-L2252 HydrophobicContact CZ-CD1 4.3Å; S2246-L2252 CarbonylContact C-O 3.12Å; S2246-L2252 WeakPolarHBondContact CA-O 3.1Å; I2247-L2252 HydrophobicContact CD1-CB 4.3Å; I2247-L2252 HydrophobicContact CG1-CB 4.42Å; I2247-L2252 PolarHBondContact N-O 2.73Å; T2250-L2252 VanDerWaalsContact C-N 3.26Å; T2250-L2252 PolarHBondContact OG1-N 2.82Å
2253	F	81.5	Confident	73.4	Confident	59 Å²	59	33.5 Å²	33.5	26%	0.259	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	135.5	175	-59.7	-97.3	0	0	0	109.8	V2143 A2144 Y2145 N2244 Y2245 R2251	V2143-F2253 CarbonylContact C-O 3.59Å; V2143-F2253 WeakPolarHBondContact CG1-O 3.17Å; A2144-F2253 PolarHBondContact N-O 2.91Å; Y2145-F2253 PolarHBondContact N-O 2.98Å; Y2145-F2253 PolarHBondContact O-N 2.97Å; N2244-F2253 WeakPolarHBondContact O-CD1 2.87Å; Y2245-F2253 CarbonylContact O-C 3.4Å; Y2245-F2253 WeakPolarHBondContact O-CA 2.85Å; R2251-F2253 WeakPolarHBondContact O-CD2 3.29Å; R2251-F2253 VanDerWaalsContact O-CE2 3.25Å; R2251-F2253 WeakPolarHBondContact O-CE2 3.36Å; R2251-F2253 PolarHBondContact O-N 3.29Å
2254	I	83.8	Confident	72.5	Confident	2 Å²	2	31.5 Å²	31.5	1%	0.01	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	166.9	164.5	63.9	176.6	0	0	0	109.4	L2141 L2142 F2237 C2240 Y2245 I2247 Q2258	L2141-I2254 HydrophobicContact CD1-CG2 4Å; L2141-I2254 HydrophobicContact CD2-CG2 3.88Å; L2141-I2254 HydrophobicContact CG-CG2 3.77Å; L2142-I2254 WeakPolarHBondContact O-CA 3.35Å; F2237-I2254 HydrophobicContact CD2-CD1 3.52Å; F2237-I2254 HydrophobicContact CE2-CD1 3.61Å; C2240-I2254 HydrophobicContact CB-CD1 3.54Å; C2240-I2254 HydrophobicContact CB-CG1 4.22Å; Y2245-I2254 HydrophobicContact CD1-CD1 4.29Å; Y2245-I2254 HydrophobicContact CD1-CG1 4.12Å; Y2245-I2254 WeakPolarHBondContact O-CG1 3.26Å; Y2245-I2254 PolarHBondContact O-N 2.03Å; I2247-I2254 HydrophobicContact CD1-CG2 3.9Å; I2247-I2254 HydrophobicContact CG1-CG2 3.91Å; I2254-Q2258 HydrophobicContact CB-CB 4.14Å; I2254-Q2258 HydrophobicContact CB-CG 4.27Å; I2254-Q2258 HydrophobicContact CD1-CB 4.02Å; I2254-Q2258 HydrophobicContact CD1-CG 4Å; I2254-Q2258 HydrophobicContact CG1-CB 4.28Å
2255	D	69	Low	71.6	Confident	23 Å²	23	25.7 Å²	25.7	12%	0.123	14%	0.135	C	C	.	.			trans	-75.9	148.3	171.5	-150.4	-81.6	0	0	0	110.8	A2144 L2257 Q2258	A2144-D2255 HydrophobicContact CB-CB 4.03Å; D2255-L2257 PolarHBondContact O-N 3.05Å; D2255-L2257 WeakPolarHBondContact OD1-CB 3.13Å; D2255-L2257 PolarHBondContact OD1-N 2.83Å; D2255-Q2258 WeakPolarHBondContact O-CA 3.19Å; D2255-Q2258 WeakPolarHBondContact O-CB 3.27Å; D2255-Q2258 PolarHBondContact O-N 2.85Å
2256	P	66.3	Low	70.1	Confident	61 Å²	61	22.5 Å²	22.5	40%	0.396	12%	0.122	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-30.1	167.8	-25.9	36.7	0	0	0	113.7	Y2245 Q2258	Y2245-P2256 HydrophobicContact CD1-CB 4.38Å; Y2245-P2256 HydrophobicContact CD1-CG 4.45Å; Y2245-P2256 HydrophobicContact CD2-CB 4.46Å; Y2245-P2256 HydrophobicContact CD2-CG 4.02Å; Y2245-P2256 HydrophobicContact CE1-CB 3.99Å; Y2245-P2256 HydrophobicContact CE1-CG 4.47Å; Y2245-P2256 HydrophobicContact CE2-CB 4.09Å; Y2245-P2256 HydrophobicContact CE2-CG 4.05Å; Y2245-P2256 HydrophobicContact CG-CG 4.23Å; P2256-Q2258 PolarHBondContact O-N 3.01Å
2257	L	64.1	Low	68.6	Low	24 Å²	24	29.4 Å²	29.4	13%	0.126	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-2.3	169.3	-70.1	155.1	0	0	0	112.3	E298 E2208 I2209 D2255 P2259	E298-L2257 WeakPolarHBondContact O-CD2 3.15Å; E2208-L2257 HydrophobicContact CB-CD1 4.25Å; I2209-L2257 HydrophobicContact CD1-CB 3.73Å; I2209-L2257 HydrophobicContact CG1-CB 3.83Å; I2209-L2257 HydrophobicContact CG1-CD1 4.13Å; D2255-L2257 PolarHBondContact O-N 3.05Å; D2255-L2257 WeakPolarHBondContact OD1-CB 3.13Å; D2255-L2257 PolarHBondContact OD1-N 2.83Å; L2257-P2259 WeakPolarHBondContact O-CD 3.4Å; L2257-P2259 WeakPolarHBondContact O-CG 3.11Å
2258	Q	68.9	Low	67.1	Low	2 Å²	2	31 Å²	31	1%	0.009	16%	0.158	C	C	.	.			trans	-45.8	112.6	-173.2	167.3	63	76.7	0	0	111.1	L2141 L2142 W2233 F2237 I2254 D2255 P2256	L2141-Q2258 HydrophobicContact CD1-CG 3.96Å; L2142-Q2258 VanDerWaalsContact CA-OE1 3.3Å; L2142-Q2258 VanDerWaalsContact CB-OE1 3.3Å; L2142-Q2258 PolarHBondContact O-OE1 2.9Å; W2233-Q2258 HydrophobicContact CZ2-CG 4.18Å; F2237-Q2258 HydrophobicContact CD2-CG 4.19Å; F2237-Q2258 HydrophobicContact CE2-CB 3.98Å; F2237-Q2258 HydrophobicContact CE2-CG 4.07Å; I2254-Q2258 HydrophobicContact CB-CB 4.14Å; I2254-Q2258 HydrophobicContact CB-CG 4.27Å; I2254-Q2258 HydrophobicContact CD1-CB 4.02Å; I2254-Q2258 HydrophobicContact CD1-CG 4Å; I2254-Q2258 HydrophobicContact CG1-CB 4.28Å; D2255-Q2258 WeakPolarHBondContact O-CA 3.19Å; D2255-Q2258 WeakPolarHBondContact O-CB 3.27Å; D2255-Q2258 PolarHBondContact O-N 2.85Å; P2256-Q2258 PolarHBondContact O-N 3.01Å
2259	P	63.4	Low	66.5	Low	0 Å²	0	34.6 Å²	34.6	0%	0	18%	0.175	C	C	.	.			trans	-92	148.1	-170.6	-4.1	24.9	0	0	0	111.5	E278 L284 W2205 I2209 L2257	E278-P2259 HydrophobicContact CG-CB 3.93Å; E278-P2259 HydrophobicContact CG-CG 3.88Å; E278-P2259 WeakPolarHBondContact OE1-CG 3.47Å; L284-P2259 HydrophobicContact CB-CB 3.18Å; L284-P2259 HydrophobicContact CB-CG 4.12Å; L284-P2259 HydrophobicContact CD1-CB 4.37Å; L284-P2259 HydrophobicContact CD1-CG 4.5Å; L284-P2259 HydrophobicContact CD2-CB 3.51Å; L284-P2259 HydrophobicContact CD2-CG 3.76Å; L284-P2259 HydrophobicContact CG-CB 3.79Å; L284-P2259 HydrophobicContact CG-CG 4.31Å; L284-P2259 CarbonylContact O-C 3.53Å; L284-P2259 WeakPolarHBondContact O-CA 3.28Å; L284-P2259 WeakPolarHBondContact O-CB 2.83Å; W2205-P2259 HydrophobicContact CD2-CG 4.37Å; W2205-P2259 HydrophobicContact CE3-CG 3.77Å; W2205-P2259 VanDerWaalsContact CZ3-CD 3.43Å; W2205-P2259 HydrophobicContact CZ3-CG 4.11Å; I2209-P2259 HydrophobicContact CD1-CG 3.52Å; L2257-P2259 WeakPolarHBondContact O-CD 3.4Å; L2257-P2259 WeakPolarHBondContact O-CG 3.11Å
2260	N	65.9	Low	66	Low	0 Å²	0	33 Å²	33	0%	0	16%	0.156	C	C	.	.			trans	-83.2	124.6	-174	166.3	49.1	0	0	0	115.1	T283 L284 N285 D286 W2233 F2262	T283-N2260 CarbonylContact C-O 3.56Å; T283-N2260 VanDerWaalsContact CA-O 3.26Å; T283-N2260 WeakPolarHBondContact CA-O 3.38Å; T283-N2260 CarbonylContact O-C 2.85Å; T283-N2260 VanDerWaalsContact O-C 3.24Å; T283-N2260 VanDerWaalsContact O-O 3.08Å; L284-N2260 CarbonylContact C-O 3.26Å; L284-N2260 WeakPolarHBondContact CA-O 3.31Å; L284-N2260 PolarHBondContact N-O 3.27Å; L284-N2260 PolarHBondContact O-N 3.23Å; N285-N2260 PolarHBondContact N-O 3.44Å; N285-N2260 VanDerWaalsContact N-O 3.1Å; N285-N2260 PolarHBondContact O-ND2 3.47Å; D286-N2260 VanDerWaalsContact CA-ND2 3.28Å; D286-N2260 WeakPolarHBondContact CA-ND2 3.31Å; D286-N2260 HydrophobicContact CB-CB 3.64Å; D286-N2260 WeakPolarHBondContact CB-ND2 3.44Å; W2233-N2260 HydrophobicContact CD2-CB 4.15Å; W2233-N2260 HydrophobicContact CE3-CB 3.7Å; W2233-N2260 VanDerWaalsContact CE3-CG 3.46Å; W2233-N2260 HydrophobicContact CH2-CB 3.41Å; W2233-N2260 VanDerWaalsContact CH2-CB 3.41Å; W2233-N2260 HydrophobicContact CZ2-CB 3.85Å; W2233-N2260 HydrophobicContact CZ3-CB 3.35Å; N2260-F2262 VanDerWaalsContact C-N 3.26Å; N2260-F2262 PolarHBondContact ND2-N 2.85Å; N2260-F2262 PolarHBondContact O-N 3.34Å
2261	P	62.7	Low	64.9	Low	10 Å²	10	34.6 Å²	34.6	7%	0.065	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	24.6	178.2	26.6	-34.4	0	0	0	120.9	T283 P2140 W2233	T283-P2261 VanDerWaalsContact CA-CA 3.44Å; T283-P2261 WeakPolarHBondContact CG2-O 3.48Å; T283-P2261 WeakPolarHBondContact O-CA 3.42Å; P2140-P2261 HydrophobicContact CG-CB 3.67Å; P2140-P2261 HydrophobicContact CG-CG 4.01Å; W2233-P2261 HydrophobicContact CB-CG 4.47Å; W2233-P2261 VanDerWaalsContact CD1-CD 3.43Å; W2233-P2261 VanDerWaalsContact CD1-CG 3.44Å; W2233-P2261 HydrophobicContact CD2-CG 4.46Å; W2233-P2261 HydrophobicContact CG-CG 3.89Å; W2233-P2261 VanDerWaalsContact NE1-CD 3.25Å
2262	F	66.9	Low	63.4	Low	22 Å²	22	36.2 Å²	36.2	10%	0.096	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-137.8	-17.6	177.9	-57.4	-66.3	0	0	0	123.9	V282 R2229 Q2230 W2233 N2260 P2264	V282-F2262 CarbonylContact O-C 3.48Å; V282-F2262 WeakPolarHBondContact O-CA 3.5Å; R2229-F2262 HydrophobicContact CB-CE1 4.24Å; R2229-F2262 HydrophobicContact CB-CZ 4.04Å; R2229-F2262 HydrophobicContact CG-CD1 3.83Å; R2229-F2262 HydrophobicContact CG-CE1 3.46Å; R2229-F2262 VanDerWaalsContact CG-CE1 3.46Å; R2229-F2262 HydrophobicContact CG-CE2 4.36Å; R2229-F2262 HydrophobicContact CG-CG 4.47Å; R2229-F2262 HydrophobicContact CG-CZ 3.73Å; R2229-F2262 VanDerWaalsContact NE-CE1 3.32Å; R2229-F2262 WeakPolarHBondContact O-CE2 3.21Å; Q2230-F2262 VanDerWaalsContact CA-CD2 3.42Å; Q2230-F2262 HydrophobicContact CB-CB 3.91Å; Q2230-F2262 HydrophobicContact CB-CD2 3.67Å; Q2230-F2262 HydrophobicContact CB-CE2 4.46Å; Q2230-F2262 HydrophobicContact CB-CG 3.83Å; Q2230-F2262 HydrophobicContact CG-CB 4.02Å; Q2230-F2262 HydrophobicContact CG-CD2 4.07Å; Q2230-F2262 HydrophobicContact CG-CG 4.33Å; W2233-F2262 HydrophobicContact CB-CD2 4.35Å; W2233-F2262 HydrophobicContact CB-CE2 3.85Å; N2260-F2262 VanDerWaalsContact C-N 3.26Å; N2260-F2262 PolarHBondContact ND2-N 2.85Å; N2260-F2262 PolarHBondContact O-N 3.34Å; F2262-P2264 WeakPolarHBondContact O-CD 3.45Å
2263	D	59.7	Low	62	Low	1 Å²	1	40.1 Å²	40.1	1%	0.005	19%	0.186	C	C	.	.			trans	-81	128.4	-177.2	173.2	-101.2	0	0	0	116.3	V282 N285 C2265 Q2266 S2278	V282-D2263 CarbonylContact C-O 3.55Å; V282-D2263 VanDerWaalsContact CA-O 3.23Å; V282-D2263 WeakPolarHBondContact CA-O 3.08Å; V282-D2263 CarbonylContact O-C 3.48Å; V282-D2263 PolarHBondContact O-N 3.09Å; N285-D2263 VanDerWaalsContact CG-CB 3.48Å; N285-D2263 WeakPolarHBondContact ND2-CB 3.47Å; N285-D2263 PolarHBondContact ND2-OD1 3.03Å; N285-D2263 WeakPolarHBondContact O-CB 3.01Å; N285-D2263 PolarHBondContact O-N 3.46Å; N285-D2263 WeakPolarHBondContact OD1-CB 3.43Å; N285-D2263 PolarHBondContact OD1-OD1 3.02Å; D2263-C2265 PolarHBondContact O-N 3.33Å; D2263-C2265 PolarHBondContact OD1-N 3.11Å; D2263-Q2266 VanDerWaalsContact O-CG 3.28Å; D2263-Q2266 WeakPolarHBondContact O-CG 3.19Å; D2263-S2278 PolarHBondContact OD2-OG 3.27Å
2264	P	54.8	Low	61.1	Low	2 Å²	2	38.3 Å²	38.3	1%	0.013	18%	0.182	C	C	.	.	S	Bend		61	-98.4	113.3	38.2	-43.6	0	0	0	119.8	V282 F2262 Q2266 S2278 G2280 T2281 Y2284	V282-P2264 VanDerWaalsContact CG2-C 3.5Å; V282-P2264 HydrophobicContact CG2-CB 4.41Å; V282-P2264 WeakPolarHBondContact CG2-O 3.2Å; F2262-P2264 WeakPolarHBondContact O-CD 3.45Å; P2264-Q2266 PolarHBondContact O-N 2.76Å; P2264-S2278 WeakPolarHBondContact CA-OG 3.45Å; P2264-S2278 WeakPolarHBondContact CB-OG 3.13Å; P2264-G2280 WeakPolarHBondContact CG-O 2.99Å; P2264-T2281 WeakPolarHBondContact CD-O 2.94Å; P2264-T2281 WeakPolarHBondContact CG-O 3.37Å; P2264-Y2284 VanDerWaalsContact O-CD1 3.25Å; P2264-Y2284 WeakPolarHBondContact O-CD1 3.05Å
2265	C	59	Low	60.1	Low	0 Å²	0	43 Å²	43	0%	0	21%	0.207	C	C	.	.	S	Bend	trans	-76	12.9	-152.2	-125.9	0	0	0	0	114.6	C293 D2263 T2268 C2276 N2277 S2278	C293-C2265 HydrophobicContact CB-CB 4.04Å; D2263-C2265 PolarHBondContact O-N 3.33Å; D2263-C2265 PolarHBondContact OD1-N 3.11Å; C2265-T2268 WeakPolarHBondContact O-CG2 3.49Å; C2265-C2276 WeakPolarHBondContact CA-SG 3Å; C2265-C2276 HydrophobicContact CB-CB 4Å; C2265-C2276 WeakPolarHBondContact CB-SG 3.42Å; C2265-C2276 PolarHBondContact O-SG 3.36Å; C2265-C2276 WeakPolarHBondContact SG-CB 3.04Å; C2265-C2276 PolarHBondContact SG-O 3.44Å; C2265-C2276 VanDerWaalsContact SG-O 3.36Å; C2265-C2276 CovalentContact SG-SG 2.05Å; C2265-C2276 PolarHBondContact SG-SG 3.39Å; C2265-N2277 PolarHBondContact SG-N 2.02Å; C2265-S2278 PolarHBondContact SG-N 3.19Å
2266	Q	51.6	Low	59.9	Low	2 Å²	2	42.8 Å²	42.8	1%	0.009	21%	0.207	C	C	.	.	S	Bend	trans	-145.3	-14.1	-153.1	39.9	169.3	-14.9	0	0	124.4	E278 C279 A280 S281 L284 N285 D2263 P2264 T2268	E278-Q2266 VanDerWaalsContact C-OE1 3.22Å; E278-Q2266 VanDerWaalsContact O-CD 3.23Å; E278-Q2266 PolarHBondContact O-NE2 3.24Å; E278-Q2266 PolarHBondContact O-OE1 2.03Å; C279-Q2266 VanDerWaalsContact CA-CD 3.45Å; C279-Q2266 WeakPolarHBondContact O-CB 3.35Å; A280-Q2266 CarbonylContact C-O 3.39Å; A280-Q2266 VanDerWaalsContact CA-CB 3.42Å; A280-Q2266 WeakPolarHBondContact CA-O 3.14Å; A280-Q2266 VanDerWaalsContact O-O 3.11Å; S281-Q2266 VanDerWaalsContact C-CB 3.43Å; S281-Q2266 CarbonylContact C-O 3.55Å; S281-Q2266 VanDerWaalsContact CA-C 3.46Å; S281-Q2266 WeakPolarHBondContact CA-O 3.16Å; S281-Q2266 PolarHBondContact N-O 2.88Å; S281-Q2266 VanDerWaalsContact N-O 3.08Å; S281-Q2266 VanDerWaalsContact O-CB 3.28Å; S281-Q2266 WeakPolarHBondContact O-CB 3.48Å; S281-Q2266 WeakPolarHBondContact O-CG 3.29Å; S281-Q2266 PolarHBondContact O-OE1 2.94Å; L284-Q2266 VanDerWaalsContact CB-OE1 3.3Å; N285-Q2266 PolarHBondContact ND2-NE2 2.93Å; D2263-Q2266 VanDerWaalsContact O-CG 3.28Å; D2263-Q2266 WeakPolarHBondContact O-CG 3.19Å; P2264-Q2266 PolarHBondContact O-N 2.76Å; Q2266-T2268 PolarHBondContact O-N 2.86Å
2267	W	51.5	Low	59.6	Low	150 Å²	150	41 Å²	41	57%	0.568	20%	0.195	S	C	*	.	S	Bend	trans	-85.5	63.2	153.2	-70	-34	0	0	0	106.2	S281 V282 T283 Y2284	S281-W2267 PolarHBondContact OG-NE1 3.46Å; V282-W2267 VanDerWaalsContact CA-N 3.31Å; V282-W2267 HydrophobicContact CB-CB 3.57Å; V282-W2267 HydrophobicContact CB-CD2 3.52Å; V282-W2267 HydrophobicContact CB-CE3 3.62Å; V282-W2267 HydrophobicContact CB-CG 3.52Å; V282-W2267 HydrophobicContact CB-CZ3 4.43Å; V282-W2267 HydrophobicContact CG1-CB 4.33Å; V282-W2267 HydrophobicContact CG1-CD2 3.58Å; V282-W2267 HydrophobicContact CG1-CE3 3.1Å; V282-W2267 HydrophobicContact CG1-CG 4.12Å; V282-W2267 HydrophobicContact CG1-CH2 4.39Å; V282-W2267 HydrophobicContact CG1-CZ3 3.56Å; V282-W2267 HydrophobicContact CG2-CB 4.04Å; V282-W2267 VanDerWaalsContact N-CG 3.29Å; T283-W2267 HydrophobicContact CG2-CD2 4.39Å; T283-W2267 HydrophobicContact CG2-CE3 4.46Å; T283-W2267 HydrophobicContact CG2-CH2 3.29Å; T283-W2267 HydrophobicContact CG2-CZ2 3.21Å; T283-W2267 HydrophobicContact CG2-CZ3 3.94Å; T283-W2267 WeakPolarHBondContact OG1-CZ2 3.47Å; T283-W2267 PolarHBondContact OG1-NE1 2.89Å; W2267-Y2284 PolarHBondContact O-OH 3.17Å
2268	T	52.8	Low	59.1	Low	35 Å²	35	39.9 Å²	39.9	22%	0.215	19%	0.189	C	C	.	.			trans	-112	138.8	-169.2	59.7	0	0	0	0	111.5	C2265 Q2266 C2270 Y2284	C2265-T2268 WeakPolarHBondContact O-CG2 3.49Å; Q2266-T2268 PolarHBondContact O-N 2.86Å; T2268-C2270 PolarHBondContact O-N 3.5Å; T2268-Y2284 HydrophobicContact CG2-CD1 3.74Å; T2268-Y2284 HydrophobicContact CG2-CD2 3.33Å; T2268-Y2284 HydrophobicContact CG2-CE1 3.77Å; T2268-Y2284 HydrophobicContact CG2-CE2 3.34Å; T2268-Y2284 HydrophobicContact CG2-CG 3.53Å
2269	D	56.7	Low	58.4	Low	82 Å²	82	43 Å²	43	44%	0.439	20%	0.204	S	C	.	.			trans	-80.5	21.4	154.7	57.1	-12.8	0	0	0	112.3	Y2284 R2302	D2269-Y2284 PolarHBondContact OD1-OH 3.33Å; D2269-R2302 WeakPolarHBondContact O-CA 3.04Å; D2269-R2302 VanDerWaalsContact O-CB 3.22Å; D2269-R2302 WeakPolarHBondContact O-CB 3.13Å; D2269-R2302 WeakPolarHBondContact O-CG 3.4Å; D2269-R2302 WeakPolarHBondContact OD1-CD 3.5Å; D2269-R2302 IonicContact OD1-CZ 2.63Å; D2269-R2302 IonicContact OD1-NE 3.93Å; D2269-R2302 PolarHBondContact OD1-NE 2.73Å; D2269-R2302 IonicContact OD1-NH1 3.1Å; D2269-R2302 PolarHBondContact OD1-NH1 2.71Å; D2269-R2302 IonicContact OD1-NH2 3.69Å; D2269-R2302 WeakPolarHBondContact OD2-CD 3.34Å; D2269-R2302 IonicContact OD2-CZ 3Å; D2269-R2302 IonicContact OD2-NE 2.66Å; D2269-R2302 IonicContact OD2-NH1 3.12Å; D2269-R2302 PolarHBondContact OD2-NH1 3.49Å
2270	C	58.2	Low	57.6	Low	20 Å²	20	43.4 Å²	43.4	14%	0.135	21%	0.209	C	C	.	.			trans	-57.8	146	163	-66.8	0	0	0	0	109.8	T2268 A2274 C2276 C2286	T2268-C2270 PolarHBondContact O-N 3.5Å; C2270-A2274 HydrophobicContact CB-CB 4.48Å; C2270-C2276 VanDerWaalsContact SG-SG 3.7Å; C2270-C2286 WeakPolarHBondContact CA-SG 3.46Å; C2270-C2286 HydrophobicContact CB-CB 3.72Å; C2270-C2286 WeakPolarHBondContact CB-SG 3.38Å; C2270-C2286 WeakPolarHBondContact SG-CB 3.47Å; C2270-C2286 CovalentContact SG-SG 2.03Å; C2270-C2286 PolarHBondContact SG-SG 2.84Å
2271	Y	60.3	Low	56.7	Low	55 Å²	55	47 Å²	47	22%	0.216	23%	0.23	C	C	.	.			trans	-64	148.8	177.8	-168.3	-104.9	0	0	0	110.9	I1902 N2273 A2274 G2301 C2304	I1902-Y2271 HydrophobicContact CD1-CE2 4.11Å; Y2271-N2273 HydrophobicContact CD1-CB 3.98Å; Y2271-N2273 HydrophobicContact CE1-CB 4.1Å; Y2271-N2273 PolarHBondContact O-N 3.39Å; Y2271-A2274 WeakPolarHBondContact O-CB 3.24Å; Y2271-A2274 PolarHBondContact O-N 2.94Å; Y2271-G2301 WeakPolarHBondContact CB-O 3.33Å; Y2271-G2301 PolarHBondContact N-O 3.11Å; Y2271-C2304 HydrophobicContact CD1-CB 3.67Å; Y2271-C2304 VanDerWaalsContact CD1-O 3.23Å; Y2271-C2304 WeakPolarHBondContact CD1-O 3.29Å; Y2271-C2304 HydrophobicContact CE1-CB 4.39Å; Y2271-C2304 WeakPolarHBondContact CE1-O 3.41Å; Y2271-C2304 HydrophobicContact CG-CB 3.99Å; Y2271-C2304 VanDerWaalsContact CG-N 3.26Å; Y2271-C2304 VanDerWaalsContact CZ-O 3.32Å
2272	R	50.2	Low	56	Low	211 Å²	211	52.3 Å²	52.3	80%	0.796	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.3	-21.6	-176.5	-172.9	176.5	-73.1	-135.3	1.6	114.5
2273	N	53.8	Low	55	Low	81 Å²	81	53.3 Å²	53.3	43%	0.433	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115.5	9.7	176.4	-58.3	1.5	0	0	0	113.3	Y2271 P2289	Y2271-N2273 HydrophobicContact CD1-CB 3.98Å; Y2271-N2273 HydrophobicContact CE1-CB 4.1Å; Y2271-N2273 PolarHBondContact O-N 3.39Å; N2273-P2289 WeakPolarHBondContact O-CD 3.2Å; N2273-P2289 WeakPolarHBondContact O-CG 3.35Å
2274	A	62.6	Low	54.8	Low	21 Å²	21	55.3 Å²	55.3	17%	0.174	28%	0.279	C	S	.	.	S	Bend	trans	-76.5	147.9	175.4	0	0	0	0	0	111	C2270 Y2271 C2276 C2286 R2287 G2301	C2270-A2274 HydrophobicContact CB-CB 4.48Å; Y2271-A2274 WeakPolarHBondContact O-CB 3.24Å; Y2271-A2274 PolarHBondContact O-N 2.94Å; A2274-C2276 PolarHBondContact O-N 2.78Å; A2274-C2286 HydrophobicContact CB-CB 4.36Å; A2274-R2287 CarbonylContact C-O 3.32Å; A2274-R2287 WeakPolarHBondContact CA-O 3.35Å; A2274-G2301 WeakPolarHBondContact CB-O 2.87Å
2275	L	63.4	Low	55.1	Low	100 Å²	100	59.9 Å²	59.9	52%	0.524	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	118.1	158.1	-65.8	164.1	0	0	0	106.6	N2277 C2286 R2287 P2289	L2275-N2277 PolarHBondContact O-OD1 3.12Å; L2275-C2286 CarbonylContact O-C 3.57Å; L2275-C2286 WeakPolarHBondContact O-CA 3.47Å; L2275-R2287 PolarHBondContact N-O 2.72Å; L2275-R2287 PolarHBondContact O-N 2.71Å; L2275-P2289 HydrophobicContact CG-CG 4.48Å
2276	C	64.9	Low	55.4	Low	19 Å²	19	60 Å²	60	13%	0.128	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	138.3	164	179.8	0	0	0	0	109.4	C2265 C2270 A2274	C2265-C2276 WeakPolarHBondContact CA-SG 3Å; C2265-C2276 HydrophobicContact CB-CB 4Å; C2265-C2276 WeakPolarHBondContact CB-SG 3.42Å; C2265-C2276 PolarHBondContact O-SG 3.36Å; C2265-C2276 WeakPolarHBondContact SG-CB 3.04Å; C2265-C2276 PolarHBondContact SG-O 3.44Å; C2265-C2276 VanDerWaalsContact SG-O 3.36Å; C2265-C2276 CovalentContact SG-SG 2.05Å; C2265-C2276 PolarHBondContact SG-SG 3.39Å; C2270-C2276 VanDerWaalsContact SG-SG 3.7Å; A2274-C2276 PolarHBondContact O-N 2.78Å
2277	N	60.5	Low	56	Low	25 Å²	25	68.2 Å²	68.2	13%	0.134	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	104.7	178.3	-58.9	57.5	0	0	0	109	E292 K305 C2265 L2275 Q2285	E292-N2277 HydrophobicContact CG-CB 3.77Å; E292-N2277 PolarHBondContact OE1-ND2 3.01Å; E292-N2277 WeakPolarHBondContact OE2-CB 2.98Å; E292-N2277 PolarHBondContact OE2-ND2 3.45Å; K305-N2277 PolarHBondContact NZ-O 3.3Å; C2265-N2277 PolarHBondContact SG-N 2.02Å; L2275-N2277 PolarHBondContact O-OD1 3.12Å; N2277-Q2285 CarbonylContact C-O 3.51Å; N2277-Q2285 WeakPolarHBondContact CA-O 3.33Å; N2277-Q2285 WeakPolarHBondContact CB-O 2.85Å; N2277-Q2285 PolarHBondContact N-O 3.26Å; N2277-Q2285 PolarHBondContact O-N 3.03Å; N2277-Q2285 VanDerWaalsContact O-O 3.11Å
2278	S	53	Low	56.7	Low	0 Å²	0	62 Å²	62	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	125.7	-178.3	174.4	0	0	0	0	111.1	A291 K305 D2263 P2264 C2265	A291-S2278 VanDerWaalsContact O-CB 3.25Å; A291-S2278 WeakPolarHBondContact O-CB 3.25Å; K305-S2278 WeakPolarHBondContact CD-O 3.49Å; K305-S2278 WeakPolarHBondContact CE-O 2.91Å; K305-S2278 VanDerWaalsContact NZ-C 3.27Å; K305-S2278 PolarHBondContact NZ-O 3.09Å; D2263-S2278 PolarHBondContact OD2-OG 3.27Å; P2264-S2278 WeakPolarHBondContact CA-OG 3.45Å; P2264-S2278 WeakPolarHBondContact CB-OG 3.13Å; C2265-S2278 PolarHBondContact SG-N 3.19Å
2279	I	54.2	Low	57.1	Low	67 Å²	67	62.1 Å²	62.1	34%	0.344	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	-19.2	-170	-2.5	167.4	0	0	0	115.3	P289 Y290 K305 A2283 Q2285	P289-I2279 CarbonylContact O-C 3.38Å; Y290-I2279 VanDerWaalsContact CD1-O 3.3Å; Y290-I2279 WeakPolarHBondContact CD1-O 3.29Å; K305-I2279 HydrophobicContact CD-CG2 3.96Å; I2279-A2283 PolarHBondContact N-O 3.47Å; I2279-Q2285 HydrophobicContact CD1-CB 3.66Å; I2279-Q2285 HydrophobicContact CG1-CB 3.88Å
2280	G	47.8	Very low	57	Low	9 Å²	9	67.8 Å²	67.8	9%	0.093	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-167.1	175.8	-178.3	0	0	0	0	0	111.3	P289 P2264 D2282 A2283	P289-G2280 CarbonylContact O-C 3.4Å; P289-G2280 WeakPolarHBondContact O-CA 3.28Å; P289-G2280 PolarHBondContact O-N 2.84Å; P2264-G2280 WeakPolarHBondContact CG-O 2.99Å; G2280-D2282 PolarHBondContact O-N 2.73Å; G2280-A2283 PolarHBondContact N-O 2.73Å; G2280-A2283 VanDerWaalsContact N-O 3.11Å; G2280-A2283 PolarHBondContact O-N 2.99Å
2281	T	46.1	Very low	56.7	Low	74 Å²	74	69.5 Å²	69.5	45%	0.454	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.4	-28.2	-170	56.4	0	0	0	0	115.5	P289 P2264	P289-T2281 HydrophobicContact CB-CG2 3.59Å; P289-T2281 HydrophobicContact CG-CG2 3.62Å; P2264-T2281 WeakPolarHBondContact CD-O 2.94Å; P2264-T2281 WeakPolarHBondContact CG-O 3.37Å
2282	D	47.3	Very low	56.7	Low	122 Å²	122	70.5 Å²	70.5	65%	0.652	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-139.1	24.7	179.3	-53.6	-98.5	0	0	0	111	G2280	G2280-D2282 PolarHBondContact O-N 2.73Å
2283	A	46.1	Very low	57	Low	43 Å²	43	62.5 Å²	62.5	36%	0.355	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	136.8	-168	0	0	0	0	0	114.1	I2279 G2280	I2279-A2283 PolarHBondContact N-O 3.47Å; G2280-A2283 PolarHBondContact N-O 2.73Å; G2280-A2283 VanDerWaalsContact N-O 3.11Å; G2280-A2283 PolarHBondContact O-N 2.99Å
2284	Y	56.2	Low	57.4	Low	44 Å²	44	60.4 Å²	60.4	17%	0.173	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	146	-179.1	54.8	-87.3	0	0	0	112	P2264 W2267 T2268 D2269 R2302	P2264-Y2284 VanDerWaalsContact O-CD1 3.25Å; P2264-Y2284 WeakPolarHBondContact O-CD1 3.05Å; W2267-Y2284 PolarHBondContact O-OH 3.17Å; T2268-Y2284 HydrophobicContact CG2-CD1 3.74Å; T2268-Y2284 HydrophobicContact CG2-CD2 3.33Å; T2268-Y2284 HydrophobicContact CG2-CE1 3.77Å; T2268-Y2284 HydrophobicContact CG2-CE2 3.34Å; T2268-Y2284 HydrophobicContact CG2-CG 3.53Å; D2269-Y2284 PolarHBondContact OD1-OH 3.33Å; Y2284-R2302 VanDerWaalsContact CE2-CZ 3.48Å
2285	Q	60.5	Low	57.1	Low	98 Å²	98	59.4 Å²	59.4	46%	0.458	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	136.7	169.8	-171.7	171.7	27.4	0	0	107.5	N2277 I2279	N2277-Q2285 CarbonylContact C-O 3.51Å; N2277-Q2285 WeakPolarHBondContact CA-O 3.33Å; N2277-Q2285 WeakPolarHBondContact CB-O 2.85Å; N2277-Q2285 PolarHBondContact N-O 3.26Å; N2277-Q2285 PolarHBondContact O-N 3.03Å; N2277-Q2285 VanDerWaalsContact O-O 3.11Å; I2279-Q2285 HydrophobicContact CD1-CB 3.66Å; I2279-Q2285 HydrophobicContact CG1-CB 3.88Å
2286	C	66.3	Low	56.5	Low	1 Å²	1	56.4 Å²	56.4	1%	0.007	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	159.5	172.2	-36.3	0	0	0	0	108.5	C2270 A2274 L2275 P2300 G2301 R2302	C2270-C2286 WeakPolarHBondContact CA-SG 3.46Å; C2270-C2286 HydrophobicContact CB-CB 3.72Å; C2270-C2286 WeakPolarHBondContact CB-SG 3.38Å; C2270-C2286 WeakPolarHBondContact SG-CB 3.47Å; C2270-C2286 CovalentContact SG-SG 2.03Å; C2270-C2286 PolarHBondContact SG-SG 2.84Å; A2274-C2286 HydrophobicContact CB-CB 4.36Å; L2275-C2286 CarbonylContact O-C 3.57Å; L2275-C2286 WeakPolarHBondContact O-CA 3.47Å; C2286-P2300 CarbonylContact C-O 3.51Å; C2286-P2300 WeakPolarHBondContact CA-O 3.44Å; C2286-P2300 VanDerWaalsContact CB-O 3.23Å; C2286-P2300 WeakPolarHBondContact CB-O 3.47Å; C2286-P2300 PolarHBondContact N-O 3.25Å; C2286-P2300 CarbonylContact O-C 3.39Å; C2286-P2300 VanDerWaalsContact O-C 3.25Å; C2286-G2301 VanDerWaalsContact CB-CA 3.49Å; C2286-G2301 WeakPolarHBondContact CB-O 3.1Å; C2286-R2302 HydrophobicContact CB-CG 4.34Å
2287	R	64.3	Low	55.7	Low	175 Å²	175	58.1 Å²	58.1	66%	0.66	31%	0.31	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-150.5	140.5	174.4	-163.2	177	-168.6	169.7	5.2	111.3	A2274 L2275	A2274-R2287 CarbonylContact C-O 3.32Å; A2274-R2287 WeakPolarHBondContact CA-O 3.35Å; L2275-R2287 PolarHBondContact N-O 2.72Å; L2275-R2287 PolarHBondContact O-N 2.71Å
2288	C	66.4	Low	55.1	Low	19 Å²	19	61 Å²	61	13%	0.128	34%	0.338	C	S	.	.	P	Polyproline II helix	trans	-72.8	142.1	175.2	-53.7	0	0	0	0	112.1	Y2292 D2294 C2304	C2288-Y2292 WeakPolarHBondContact CB-O 3.33Å; C2288-D2294 WeakPolarHBondContact SG-CA 3.47Å; C2288-D2294 WeakPolarHBondContact SG-CB 3.08Å; C2288-D2294 VanDerWaalsContact SG-CG 3.52Å; C2288-C2304 WeakPolarHBondContact CA-SG 3.39Å; C2288-C2304 HydrophobicContact CB-CB 3.72Å; C2288-C2304 WeakPolarHBondContact CB-SG 3.33Å; C2288-C2304 WeakPolarHBondContact SG-CA 2.99Å; C2288-C2304 WeakPolarHBondContact SG-CB 3.26Å; C2288-C2304 CovalentContact SG-SG 2.03Å; C2288-C2304 PolarHBondContact SG-SG 2.71Å
2289	P	60	Low	55.2	Low	38 Å²	38	64 Å²	64	25%	0.247	35%	0.353	C	S	.	.	P	Polyproline II helix	trans	-64.9	165.1	172.8	-19.6	31.7	0	0	0	112.5	N2273 L2275 G2291 Y2292	N2273-P2289 WeakPolarHBondContact O-CD 3.2Å; N2273-P2289 WeakPolarHBondContact O-CG 3.35Å; L2275-P2289 HydrophobicContact CG-CG 4.48Å; P2289-G2291 PolarHBondContact O-N 2.7Å; P2289-Y2292 HydrophobicContact CB-CD2 4.43Å; P2289-Y2292 PolarHBondContact O-N 3.25Å
2290	E	54.4	Low	55.1	Low	202 Å²	202	63 Å²	63	94%	0.944	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56	131.8	170.2	-66.2	-164.3	137.8	0	0	111.1
2291	G	51.8	Low	55.8	Low	55 Å²	55	62.6 Å²	62.6	57%	0.567	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	90.4	-3.9	-172.8	0	0	0	0	0	115.1	P2289 G2307	P2289-G2291 PolarHBondContact O-N 2.7Å; G2291-G2307 PolarHBondContact O-N 3.06Å
2292	Y	60.1	Low	56.8	Low	76 Å²	76	61.6 Å²	61.6	30%	0.298	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	135.6	175.8	-71	-105.4	0	0	0	111.5	C2288 P2289 V2305 K2306	C2288-Y2292 WeakPolarHBondContact CB-O 3.33Å; P2289-Y2292 HydrophobicContact CB-CD2 4.43Å; P2289-Y2292 PolarHBondContact O-N 3.25Å; Y2292-V2305 CarbonylContact C-O 3.19Å; Y2292-V2305 WeakPolarHBondContact CA-O 3.23Å; Y2292-V2305 VanDerWaalsContact CD1-C 3.42Å; Y2292-K2306 HydrophobicContact CD1-CB 4.07Å; Y2292-K2306 HydrophobicContact CE1-CB 3.63Å; Y2292-K2306 HydrophobicContact CE1-CG 4.31Å; Y2292-K2306 HydrophobicContact CE2-CG 4.45Å
2293	I	58.4	Low	57.5	Low	44 Å²	44	56.6 Å²	56.6	23%	0.226	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	146.6	178.5	-62.6	176.3	0	0	0	109.4	C2304 V2305	I2293-C2304 WeakPolarHBondContact O-CA 3.14Å; I2293-V2305 PolarHBondContact N-O 2.9Å; I2293-V2305 PolarHBondContact O-N 3.02Å
2294	D	60.6	Low	58.3	Low	36 Å²	36	54.6 Å²	54.6	19%	0.193	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	115.1	-172.4	-157.3	-7.7	0	0	0	110.7	C2288 P2300 G2301	C2288-D2294 WeakPolarHBondContact SG-CA 3.47Å; C2288-D2294 WeakPolarHBondContact SG-CB 3.08Å; C2288-D2294 VanDerWaalsContact SG-CG 3.52Å; D2294-P2300 WeakPolarHBondContact OD2-CA 3.38Å; D2294-P2300 WeakPolarHBondContact OD2-CB 3.04Å; D2294-G2301 WeakPolarHBondContact OD1-CA 3.35Å; D2294-G2301 PolarHBondContact OD1-N 3.2Å; D2294-G2301 PolarHBondContact OD2-N 3.5Å
2295	L	56	Low	58.5	Low	0 Å²	0	52.9 Å²	52.9	0%	0	29%	0.285	C	S	.	.	S	Bend	trans	-85.6	-15.7	-168.5	-61.2	-172.4	0	0	0	114.6	Q2303 V2305 Y2310 E2312 N2320	L2295-Q2303 HydrophobicContact CB-CB 3.91Å; L2295-Q2303 PolarHBondContact N-O 3.5Å; L2295-V2305 HydrophobicContact CD1-CB 4.36Å; L2295-V2305 HydrophobicContact CD1-CG1 3.59Å; L2295-V2305 HydrophobicContact CD1-CG2 3.83Å; L2295-V2305 HydrophobicContact CD2-CG2 3.6Å; L2295-V2305 HydrophobicContact CG-CG1 4.21Å; L2295-V2305 HydrophobicContact CG-CG2 3.76Å; L2295-Y2310 HydrophobicContact CD1-CD1 4.49Å; L2295-Y2310 HydrophobicContact CD1-CE1 3.73Å; L2295-Y2310 HydrophobicContact CD1-CE2 4.19Å; L2295-Y2310 WeakPolarHBondContact CD1-OH 3.49Å; L2295-Y2310 HydrophobicContact CD2-CD1 3.75Å; L2295-Y2310 HydrophobicContact CD2-CE1 3.41Å; L2295-Y2310 VanDerWaalsContact CD2-CE1 3.41Å; L2295-Y2310 HydrophobicContact CG-CE1 4.22Å; L2295-E2312 HydrophobicContact CD2-CG 4.17Å; L2295-N2320 PolarHBondContact O-ND2 3.29Å
2296	N	51.1	Low	58.1	Low	38 Å²	38	51 Å²	51	20%	0.203	28%	0.275	C	S	.	.			trans	-122.3	102.1	176.7	-170.3	-32.9	0	0	0	110.9	A2298 L2299	N2296-A2298 PolarHBondContact O-N 3.01Å; N2296-A2298 PolarHBondContact OD1-N 2.74Å; N2296-L2299 HydrophobicContact CB-CB 4.45Å; N2296-L2299 CarbonylContact O-C 3.52Å; N2296-L2299 PolarHBondContact O-N 3.04Å; N2296-L2299 VanDerWaalsContact O-N 3.13Å; N2296-L2299 PolarHBondContact OD1-N 2.04Å
2297	S	48.7	Very low	57.4	Low	55 Å²	55	51.6 Å²	51.6	39%	0.385	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-28.8	-178.5	-56.6	0	0	0	0	114.5	N2320 R2354	S2297-N2320 WeakPolarHBondContact CB-OD1 3.29Å; S2297-N2320 PolarHBondContact N-OD1 3.36Å; S2297-N2320 PolarHBondContact OG-OD1 2.78Å; S2297-R2354 VanDerWaalsContact OG-CZ 3.26Å; S2297-R2354 PolarHBondContact OG-NE 2.87Å; S2297-R2354 PolarHBondContact OG-NH2 2.87Å
2298	A	48.8	Very low	56.6	Low	85 Å²	85	49.7 Å²	49.7	70%	0.702	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.8	-18.5	-178.7	0	0	0	0	0	112.7	N2296	N2296-A2298 PolarHBondContact O-N 3.01Å; N2296-A2298 PolarHBondContact OD1-N 2.74Å
2299	L	53.7	Low	55.6	Low	63 Å²	63	52.2 Å²	52.2	33%	0.33	29%	0.292	S	S	.	.	S	Bend	trans	-130.6	67.9	178.6	-70.1	177.6	0	0	0	109.5	N2296 G2301 R2302	N2296-L2299 HydrophobicContact CB-CB 4.45Å; N2296-L2299 CarbonylContact O-C 3.52Å; N2296-L2299 PolarHBondContact O-N 3.04Å; N2296-L2299 VanDerWaalsContact O-N 3.13Å; N2296-L2299 PolarHBondContact OD1-N 2.04Å; L2299-G2301 PolarHBondContact O-N 3.2Å; L2299-R2302 HydrophobicContact CB-CB 4.18Å; L2299-R2302 HydrophobicContact CB-CG 4.05Å; L2299-R2302 VanDerWaalsContact O-CB 3.31Å; L2299-R2302 WeakPolarHBondContact O-CB 3.27Å; L2299-R2302 WeakPolarHBondContact O-CG 3.04Å; L2299-R2302 PolarHBondContact O-N 2.89Å; L2299-R2302 VanDerWaalsContact O-N 3.16Å
2300	P	53.2	Low	55.2	Low	47 Å²	47	51.8 Å²	51.8	31%	0.305	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.1	139.3	-174.2	22	-33.3	0	0	0	112.1	C2286 D2294 R2302	C2286-P2300 CarbonylContact C-O 3.51Å; C2286-P2300 WeakPolarHBondContact CA-O 3.44Å; C2286-P2300 VanDerWaalsContact CB-O 3.23Å; C2286-P2300 WeakPolarHBondContact CB-O 3.47Å; C2286-P2300 PolarHBondContact N-O 3.25Å; C2286-P2300 CarbonylContact O-C 3.39Å; C2286-P2300 VanDerWaalsContact O-C 3.25Å; D2294-P2300 WeakPolarHBondContact OD2-CA 3.38Å; D2294-P2300 WeakPolarHBondContact OD2-CB 3.04Å; P2300-R2302 PolarHBondContact O-N 2.82Å
2301	G	61.9	Low	55.5	Low	0 Å²	0	44.7 Å²	44.7	0%	0	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	68.6	6.4	-177	0	0	0	0	0	115.7	Y2271 A2274 C2286 D2294 L2299 Q2303	Y2271-G2301 WeakPolarHBondContact CB-O 3.33Å; Y2271-G2301 PolarHBondContact N-O 3.11Å; A2274-G2301 WeakPolarHBondContact CB-O 2.87Å; C2286-G2301 VanDerWaalsContact CB-CA 3.49Å; C2286-G2301 WeakPolarHBondContact CB-O 3.1Å; D2294-G2301 WeakPolarHBondContact OD1-CA 3.35Å; D2294-G2301 PolarHBondContact OD1-N 3.2Å; D2294-G2301 PolarHBondContact OD2-N 3.5Å; L2299-G2301 PolarHBondContact O-N 3.2Å; G2301-Q2303 VanDerWaalsContact C-N 3.3Å
2302	R	67.9	Low	55.9	Low	53 Å²	53	42.1 Å²	42.1	20%	0.2	23%	0.228	C	C	.	.	S	Bend	trans	-80.7	-15.3	178.2	-58	-154.8	-177.1	175.8	0.9	112.3	D2269 Y2284 C2286 L2299 P2300	D2269-R2302 WeakPolarHBondContact O-CA 3.04Å; D2269-R2302 VanDerWaalsContact O-CB 3.22Å; D2269-R2302 WeakPolarHBondContact O-CB 3.13Å; D2269-R2302 WeakPolarHBondContact O-CG 3.4Å; D2269-R2302 WeakPolarHBondContact OD1-CD 3.5Å; D2269-R2302 IonicContact OD1-CZ 2.63Å; D2269-R2302 IonicContact OD1-NE 3.93Å; D2269-R2302 PolarHBondContact OD1-NE 2.73Å; D2269-R2302 IonicContact OD1-NH1 3.1Å; D2269-R2302 PolarHBondContact OD1-NH1 2.71Å; D2269-R2302 IonicContact OD1-NH2 3.69Å; D2269-R2302 WeakPolarHBondContact OD2-CD 3.34Å; D2269-R2302 IonicContact OD2-CZ 3Å; D2269-R2302 IonicContact OD2-NE 2.66Å; D2269-R2302 IonicContact OD2-NH1 3.12Å; D2269-R2302 PolarHBondContact OD2-NH1 3.49Å; Y2284-R2302 VanDerWaalsContact CE2-CZ 3.48Å; C2286-R2302 HydrophobicContact CB-CG 4.34Å; L2299-R2302 HydrophobicContact CB-CB 4.18Å; L2299-R2302 HydrophobicContact CB-CG 4.05Å; L2299-R2302 VanDerWaalsContact O-CB 3.31Å; L2299-R2302 WeakPolarHBondContact O-CB 3.27Å; L2299-R2302 WeakPolarHBondContact O-CG 3.04Å; L2299-R2302 PolarHBondContact O-N 2.89Å; L2299-R2302 VanDerWaalsContact O-N 3.16Å; P2300-R2302 PolarHBondContact O-N 2.82Å
2303	Q	62.2	Low	56.3	Low	17 Å²	17	40.2 Å²	40.2	8%	0.079	23%	0.225	C	C	.	.	S	Bend	trans	-144.7	97.3	175.9	-61.5	-178.7	11	0	0	111.3	I1902 I1903 L2295 G2301	I1902-Q2303 HydrophobicContact CG2-CB 3.91Å; I1902-Q2303 HydrophobicContact CG2-CG 3.58Å; I1903-Q2303 PolarHBondContact O-NE2 3.33Å; L2295-Q2303 HydrophobicContact CB-CB 3.91Å; L2295-Q2303 PolarHBondContact N-O 3.5Å; G2301-Q2303 VanDerWaalsContact C-N 3.3Å
2304	C	61.6	Low	56.3	Low	0 Å²	0	42 Å²	42	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	116.4	-173.9	-63.9	0	0	0	0	112.8	Y2271 C2288 I2293	Y2271-C2304 HydrophobicContact CD1-CB 3.67Å; Y2271-C2304 VanDerWaalsContact CD1-O 3.23Å; Y2271-C2304 WeakPolarHBondContact CD1-O 3.29Å; Y2271-C2304 HydrophobicContact CE1-CB 4.39Å; Y2271-C2304 WeakPolarHBondContact CE1-O 3.41Å; Y2271-C2304 HydrophobicContact CG-CB 3.99Å; Y2271-C2304 VanDerWaalsContact CG-N 3.26Å; Y2271-C2304 VanDerWaalsContact CZ-O 3.32Å; C2288-C2304 WeakPolarHBondContact CA-SG 3.39Å; C2288-C2304 HydrophobicContact CB-CB 3.72Å; C2288-C2304 WeakPolarHBondContact CB-SG 3.33Å; C2288-C2304 WeakPolarHBondContact SG-CA 2.99Å; C2288-C2304 WeakPolarHBondContact SG-CB 3.26Å; C2288-C2304 CovalentContact SG-SG 2.03Å; C2288-C2304 PolarHBondContact SG-SG 2.71Å; I2293-C2304 WeakPolarHBondContact O-CA 3.14Å
2305	V	60.4	Low	55.9	Low	8 Å²	8	42.2 Å²	42.2	5%	0.048	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	149.9	-178.2	-61.4	0	0	0	0	111.7	V1901 Y2292 I2293 L2295 G2307 Y2310	V1901-V2305 HydrophobicContact CG2-CG1 3.78Å; Y2292-V2305 CarbonylContact C-O 3.19Å; Y2292-V2305 WeakPolarHBondContact CA-O 3.23Å; Y2292-V2305 VanDerWaalsContact CD1-C 3.42Å; I2293-V2305 PolarHBondContact N-O 2.9Å; I2293-V2305 PolarHBondContact O-N 3.02Å; L2295-V2305 HydrophobicContact CD1-CB 4.36Å; L2295-V2305 HydrophobicContact CD1-CG1 3.59Å; L2295-V2305 HydrophobicContact CD1-CG2 3.83Å; L2295-V2305 HydrophobicContact CD2-CG2 3.6Å; L2295-V2305 HydrophobicContact CG-CG1 4.21Å; L2295-V2305 HydrophobicContact CG-CG2 3.76Å; V2305-G2307 PolarHBondContact O-N 3.34Å; V2305-Y2310 HydrophobicContact CB-CD2 4.22Å; V2305-Y2310 HydrophobicContact CB-CG 4.32Å; V2305-Y2310 HydrophobicContact CG1-CD2 4.42Å; V2305-Y2310 HydrophobicContact CG1-CE2 4.48Å; V2305-Y2310 HydrophobicContact CG2-CD1 3.79Å; V2305-Y2310 HydrophobicContact CG2-CD2 3.89Å; V2305-Y2310 HydrophobicContact CG2-CE1 4.33Å; V2305-Y2310 HydrophobicContact CG2-CE2 4.43Å; V2305-Y2310 HydrophobicContact CG2-CG 3.55Å
2306	K	53.6	Low	55.8	Low	60 Å²	60	49.4 Å²	49.4	26%	0.261	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	117.9	-173	-172.1	165	141	-78.6	0	109.6	E1899 Y2292 E2308	E1899-K2306 IonicContact OE2-NZ 3.2Å; E1899-K2306 PolarHBondContact OE2-NZ 2.75Å; Y2292-K2306 HydrophobicContact CD1-CB 4.07Å; Y2292-K2306 HydrophobicContact CE1-CB 3.63Å; Y2292-K2306 HydrophobicContact CE1-CG 4.31Å; Y2292-K2306 HydrophobicContact CE2-CG 4.45Å; K2306-E2308 PolarHBondContact O-N 2.8Å
2307	G	49.9	Very low	55.5	Low	12 Å²	12	50.3 Å²	50.3	12%	0.124	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.3	21	-159.4	0	0	0	0	0	117.1	G2291 V2305 G2332	G2291-G2307 PolarHBondContact O-N 3.06Å; V2305-G2307 PolarHBondContact O-N 3.34Å; G2307-G2332 WeakPolarHBondContact O-CA 3.47Å
2308	E	47.8	Very low	55.2	Low	135 Å²	135	47.8 Å²	47.8	63%	0.631	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.6	-29.7	-176.7	-65.5	-173.5	119.4	0	0	113.1	K2306	K2306-E2308 PolarHBondContact O-N 2.8Å
2309	D	46.7	Very low	55.6	Low	73 Å²	73	45.3 Å²	45.3	39%	0.39	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-125.5	3.5	-174.3	-63.5	-77	0	0	0	114.2	E1898 E1899	E1898-D2309 HydrophobicContact CB-CB 4.33Å; E1899-D2309 HydrophobicContact CB-CB 4.26Å
2310	Y	51.6	Low	55.8	Low	28 Å²	28	43.7 Å²	43.7	11%	0.11	25%	0.251	C	S	.	.			trans	-81.5	138.6	177.4	-162.7	-106.6	0	0	0	112	V1901 L2295 V2305 E2312 S2318	V1901-Y2310 WeakPolarHBondContact O-CE2 3.36Å; V1901-Y2310 VanDerWaalsContact O-CZ 3.31Å; V1901-Y2310 PolarHBondContact O-OH 3.38Å; L2295-Y2310 HydrophobicContact CD1-CD1 4.49Å; L2295-Y2310 HydrophobicContact CD1-CE1 3.73Å; L2295-Y2310 HydrophobicContact CD1-CE2 4.19Å; L2295-Y2310 WeakPolarHBondContact CD1-OH 3.49Å; L2295-Y2310 HydrophobicContact CD2-CD1 3.75Å; L2295-Y2310 HydrophobicContact CD2-CE1 3.41Å; L2295-Y2310 VanDerWaalsContact CD2-CE1 3.41Å; L2295-Y2310 HydrophobicContact CG-CE1 4.22Å; V2305-Y2310 HydrophobicContact CB-CD2 4.22Å; V2305-Y2310 HydrophobicContact CB-CG 4.32Å; V2305-Y2310 HydrophobicContact CG1-CD2 4.42Å; V2305-Y2310 HydrophobicContact CG1-CE2 4.48Å; V2305-Y2310 HydrophobicContact CG2-CD1 3.79Å; V2305-Y2310 HydrophobicContact CG2-CD2 3.89Å; V2305-Y2310 HydrophobicContact CG2-CE1 4.33Å; V2305-Y2310 HydrophobicContact CG2-CE2 4.43Å; V2305-Y2310 HydrophobicContact CG2-CG 3.55Å; Y2310-E2312 HydrophobicContact CD1-CB 4.4Å; Y2310-E2312 HydrophobicContact CD1-CG 3.69Å; Y2310-E2312 HydrophobicContact CE1-CB 4.28Å; Y2310-E2312 HydrophobicContact CE1-CG 3.84Å; Y2310-S2318 VanDerWaalsContact OH-CB 3.3Å; Y2310-S2318 WeakPolarHBondContact OH-CB 3.2Å; Y2310-S2318 PolarHBondContact OH-OG 3.25Å
2311	N	59.5	Low	56.5	Low	53 Å²	53	42 Å²	42	28%	0.283	24%	0.239	S	C	.	.			trans	-113.3	95.2	173.5	176.2	-31.6	0	0	0	108.1	C2313 A2314 D2329	N2311-C2313 PolarHBondContact O-N 2.79Å; N2311-C2313 VanDerWaalsContact O-N 3.1Å; N2311-C2313 VanDerWaalsContact OD1-CA 3.31Å; N2311-C2313 WeakPolarHBondContact OD1-CA 3.44Å; N2311-C2313 WeakPolarHBondContact OD1-CB 3.32Å; N2311-C2313 PolarHBondContact OD1-N 2.83Å; N2311-A2314 WeakPolarHBondContact O-CB 3.32Å; N2311-A2314 PolarHBondContact O-N 3.23Å; N2311-A2314 VanDerWaalsContact O-N 3.16Å; N2311-A2314 PolarHBondContact OD1-N 3Å; N2311-D2329 VanDerWaalsContact CG-CG 3.48Å; N2311-D2329 VanDerWaalsContact ND2-CB 3.32Å; N2311-D2329 WeakPolarHBondContact ND2-CB 3.4Å; N2311-D2329 PolarHBondContact ND2-OD2 2.84Å
2312	E	61.1	Low	56.6	Low	2 Å²	2	43 Å²	43	1%	0.009	25%	0.247	C	C	.	.	G	3₁₀ helix	trans	-59.8	-19.7	178.2	-67.8	84.5	164.2	0	0	112.9	L2295 Y2310 A2314 N2319 Y2334	L2295-E2312 HydrophobicContact CD2-CG 4.17Å; Y2310-E2312 HydrophobicContact CD1-CB 4.4Å; Y2310-E2312 HydrophobicContact CD1-CG 3.69Å; Y2310-E2312 HydrophobicContact CE1-CB 4.28Å; Y2310-E2312 HydrophobicContact CE1-CG 3.84Å; E2312-A2314 PolarHBondContact O-N 2.04Å; E2312-N2319 WeakPolarHBondContact O-CA 2.99Å; E2312-N2319 VanDerWaalsContact O-CB 3.27Å; E2312-N2319 WeakPolarHBondContact O-CB 3.29Å; E2312-N2319 PolarHBondContact O-N 2.81Å; E2312-N2319 VanDerWaalsContact O-N 3.1Å; E2312-Y2334 HydrophobicContact CB-CD1 3.83Å; E2312-Y2334 HydrophobicContact CB-CD2 3.74Å; E2312-Y2334 HydrophobicContact CB-CE1 4.07Å; E2312-Y2334 HydrophobicContact CB-CE2 4.01Å; E2312-Y2334 HydrophobicContact CB-CG 3.62Å; E2312-Y2334 HydrophobicContact CG-CD1 3.48Å; E2312-Y2334 VanDerWaalsContact CG-CD1 3.48Å; E2312-Y2334 HydrophobicContact CG-CD2 4.27Å; E2312-Y2334 HydrophobicContact CG-CE1 3.48Å; E2312-Y2334 VanDerWaalsContact CG-CE1 3.48Å; E2312-Y2334 HydrophobicContact CG-CE2 4.28Å; E2312-Y2334 HydrophobicContact CG-CG 3.86Å; E2312-Y2334 WeakPolarHBondContact OE1-CD1 3.47Å; E2312-Y2334 VanDerWaalsContact OE1-CE1 3.31Å; E2312-Y2334 WeakPolarHBondContact OE1-CE1 3.33Å; E2312-Y2334 WeakPolarHBondContact OE2-CB 3.25Å; E2312-Y2334 WeakPolarHBondContact OE2-CD1 3.17Å
2313	C	66.9	Low	56.7	Low	36 Å²	36	46.6 Å²	46.6	24%	0.243	27%	0.274	C	S	.	.	G	3₁₀ helix	trans	-77.5	-6.7	-179.9	-44.5	0	0	0	0	114	N2311 C2327 V2328 D2329	N2311-C2313 PolarHBondContact O-N 2.79Å; N2311-C2313 VanDerWaalsContact O-N 3.1Å; N2311-C2313 VanDerWaalsContact OD1-CA 3.31Å; N2311-C2313 WeakPolarHBondContact OD1-CA 3.44Å; N2311-C2313 WeakPolarHBondContact OD1-CB 3.32Å; N2311-C2313 PolarHBondContact OD1-N 2.83Å; C2313-C2327 WeakPolarHBondContact CA-SG 3.31Å; C2313-C2327 HydrophobicContact CB-CB 3.36Å; C2313-C2327 WeakPolarHBondContact CB-SG 3.3Å; C2313-C2327 PolarHBondContact N-SG 2.95Å; C2313-C2327 VanDerWaalsContact N-SG 3.38Å; C2313-C2327 VanDerWaalsContact SG-CA 3.57Å; C2313-C2327 WeakPolarHBondContact SG-CB 2.98Å; C2313-C2327 PolarHBondContact SG-O 3.19Å; C2313-C2327 VanDerWaalsContact SG-O 3.42Å; C2313-C2327 CovalentContact SG-SG 2.02Å; C2313-C2327 PolarHBondContact SG-SG 3.09Å; C2313-V2328 PolarHBondContact SG-N 3.21Å; C2313-D2329 PolarHBondContact SG-N 3.36Å
2314	A	58.7	Low	56.8	Low	81 Å²	81	48.8 Å²	48.8	67%	0.669	29%	0.287	S	S	*	.	G	3₁₀ helix	trans	-88.8	-9.4	-174.4	0	0	0	0	0	114.6	N2311 E2312	N2311-A2314 WeakPolarHBondContact O-CB 3.32Å; N2311-A2314 PolarHBondContact O-N 3.23Å; N2311-A2314 VanDerWaalsContact O-N 3.16Å; N2311-A2314 PolarHBondContact OD1-N 3Å; E2312-A2314 PolarHBondContact O-N 2.04Å
2315	S	53.8	Low	57.2	Low	40 Å²	40	49.1 Å²	49.1	28%	0.28	29%	0.289	S	S	.	.			trans	-147.8	135.4	175.5	107	0	0	0	0	112.6	A2317 S2318 N2319	S2315-A2317 PolarHBondContact O-N 3.1Å; S2315-A2317 VanDerWaalsContact O-N 3.11Å; S2315-S2318 PolarHBondContact O-N 2.91Å; S2315-S2318 VanDerWaalsContact O-N 3.09Å; S2315-S2318 PolarHBondContact O-OG 2.94Å; S2315-S2318 PolarHBondContact OG-N 2.62Å; S2315-S2318 PolarHBondContact OG-OG 2.81Å; S2315-N2319 WeakPolarHBondContact O-CB 3.38Å; S2315-N2319 PolarHBondContact O-N 3.02Å
2316	D	52.2	Low	57.9	Low	152 Å²	152	53.1 Å²	53.1	81%	0.813	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	-19	-176.8	-60.6	-51.9	0	0	0	114
2317	A	44.7	Very low	58.9	Low	57 Å²	57	51.2 Å²	51.2	47%	0.471	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.2	-15.7	177.7	0	0	0	0	0	114	S2315	S2315-A2317 PolarHBondContact O-N 3.1Å; S2315-A2317 VanDerWaalsContact O-N 3.11Å
2318	S	43.7	Very low	59.8	Low	2 Å²	2	52.9 Å²	52.9	1%	0.014	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-118.5	-16.6	179.3	55.1	0	0	0	0	113.3	Y2310 S2315 N2320	Y2310-S2318 VanDerWaalsContact OH-CB 3.3Å; Y2310-S2318 WeakPolarHBondContact OH-CB 3.2Å; Y2310-S2318 PolarHBondContact OH-OG 3.25Å; S2315-S2318 PolarHBondContact O-N 2.91Å; S2315-S2318 VanDerWaalsContact O-N 3.09Å; S2315-S2318 PolarHBondContact O-OG 2.94Å; S2315-S2318 PolarHBondContact OG-N 2.62Å; S2315-S2318 PolarHBondContact OG-OG 2.81Å; S2318-N2320 PolarHBondContact O-N 2.69Å; S2318-N2320 PolarHBondContact O-ND2 2.93Å
2319	N	56.1	Low	60.4	Low	33 Å²	33	49.9 Å²	49.9	18%	0.176	30%	0.299	C	S	.	.			trans	-65	78.5	166.2	-179.3	19.7	0	0	0	110.6	E2312 S2315 C2321 C2327	E2312-N2319 WeakPolarHBondContact O-CA 2.99Å; E2312-N2319 VanDerWaalsContact O-CB 3.27Å; E2312-N2319 WeakPolarHBondContact O-CB 3.29Å; E2312-N2319 PolarHBondContact O-N 2.81Å; E2312-N2319 VanDerWaalsContact O-N 3.1Å; S2315-N2319 WeakPolarHBondContact O-CB 3.38Å; S2315-N2319 PolarHBondContact O-N 3.02Å; N2319-C2321 PolarHBondContact O-N 2.99Å; N2319-C2321 WeakPolarHBondContact OD1-CB 3.46Å; N2319-C2321 PolarHBondContact OD1-N 2.8Å; N2319-C2321 PolarHBondContact OD1-SG 2.99Å; N2319-C2327 VanDerWaalsContact OD1-CB 3.3Å; N2319-C2327 WeakPolarHBondContact OD1-CB 3.07Å
2320	N	57.7	Low	60.9	Low	29 Å²	29	50.4 Å²	50.4	16%	0.155	30%	0.298	C	S	.	.			trans	-73.2	10	175.7	-69.4	-93.5	0	0	0	113	L2295 S2297 S2318 R2354	L2295-N2320 PolarHBondContact O-ND2 3.29Å; S2297-N2320 WeakPolarHBondContact CB-OD1 3.29Å; S2297-N2320 PolarHBondContact N-OD1 3.36Å; S2297-N2320 PolarHBondContact OG-OD1 2.78Å; S2318-N2320 PolarHBondContact O-N 2.69Å; S2318-N2320 PolarHBondContact O-ND2 2.93Å; N2320-R2354 HydrophobicContact CB-CG 4.37Å; N2320-R2354 WeakPolarHBondContact O-CA 3.18Å; N2320-R2354 WeakPolarHBondContact O-CG 3.07Å
2321	C	68	Low	60.8	Low	10 Å²	10	58.5 Å²	58.5	7%	0.068	34%	0.337	C	S	.	.	S	Bend	trans	-67.1	147.2	163.3	-51.6	0	0	0	0	109.7	N2319 A2325 C2327 C2336	N2319-C2321 PolarHBondContact O-N 2.99Å; N2319-C2321 WeakPolarHBondContact OD1-CB 3.46Å; N2319-C2321 PolarHBondContact OD1-N 2.8Å; N2319-C2321 PolarHBondContact OD1-SG 2.99Å; C2321-A2325 HydrophobicContact CB-CB 3.62Å; C2321-C2327 HydrophobicContact CB-CB 4.33Å; C2321-C2327 WeakPolarHBondContact SG-CB 3.37Å; C2321-C2327 PolarHBondContact SG-SG 2.58Å; C2321-C2336 WeakPolarHBondContact CA-SG 3.48Å; C2321-C2336 HydrophobicContact CB-CB 3.41Å; C2321-C2336 VanDerWaalsContact CB-CB 3.41Å; C2321-C2336 WeakPolarHBondContact CB-SG 3.15Å; C2321-C2336 VanDerWaalsContact SG-CA 3.52Å; C2321-C2336 WeakPolarHBondContact SG-CB 3.45Å; C2321-C2336 CovalentContact SG-SG 2.01Å; C2321-C2336 PolarHBondContact SG-SG 3.46Å
2322	S	64.8	Low	60.2	Low	23 Å²	23	57.7 Å²	57.7	16%	0.161	34%	0.341	C	S	.	.			trans	-53.6	150.5	173.2	157.5	0	0	0	0	110.6	N2324 A2325 G2353 R2354 C2356	S2322-N2324 PolarHBondContact O-N 2.84Å; S2322-N2324 PolarHBondContact OG-N 2.89Å; S2322-A2325 WeakPolarHBondContact O-CA 3.34Å; S2322-A2325 WeakPolarHBondContact O-CB 3.45Å; S2322-A2325 PolarHBondContact O-N 2.74Å; S2322-G2353 PolarHBondContact N-O 3.21Å; S2322-R2354 WeakPolarHBondContact CB-O 3.21Å; S2322-R2354 PolarHBondContact N-O 3.38Å; S2322-C2356 PolarHBondContact OG-O 3.22Å
2323	V	69	Low	59.8	Low	127 Å²	127	64.7 Å²	64.7	77%	0.77	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.1	-25.2	172.4	-140.1	0	0	0	0	111.5	A2325 K2339	V2323-A2325 VanDerWaalsContact C-N 3.34Å; V2323-K2339 PolarHBondContact O-NZ 3.18Å
2324	N	64.3	Low	59.3	Low	64 Å²	64	63.7 Å²	63.7	34%	0.342	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.8	21.3	177.1	-56.1	-45.9	0	0	0	114.3	S2322 K2339 F2342	S2322-N2324 PolarHBondContact O-N 2.84Å; S2322-N2324 PolarHBondContact OG-N 2.89Å; N2324-K2339 VanDerWaalsContact O-CB 3.28Å; N2324-K2339 WeakPolarHBondContact O-CB 3.42Å; N2324-K2339 WeakPolarHBondContact O-CG 3.49Å; N2324-K2339 PolarHBondContact O-N 3.49Å; N2324-F2342 HydrophobicContact CB-CB 4.31Å; N2324-F2342 HydrophobicContact CB-CD1 3.2Å; N2324-F2342 HydrophobicContact CB-CD2 3.97Å; N2324-F2342 HydrophobicContact CB-CE1 3.34Å; N2324-F2342 HydrophobicContact CB-CE2 4.07Å; N2324-F2342 HydrophobicContact CB-CG 3.56Å; N2324-F2342 HydrophobicContact CB-CZ 3.77Å; N2324-F2342 VanDerWaalsContact ND2-CE1 3.34Å; N2324-F2342 WeakPolarHBondContact ND2-CE1 3.48Å
2325	A	71.4	Confident	59.4	Low	6 Å²	6	61 Å²	61	5%	0.05	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	151.9	175	0	0	0	0	0	112.5	C2321 S2322 V2323 C2336 K2339 C2356	C2321-A2325 HydrophobicContact CB-CB 3.62Å; S2322-A2325 WeakPolarHBondContact O-CA 3.34Å; S2322-A2325 WeakPolarHBondContact O-CB 3.45Å; S2322-A2325 PolarHBondContact O-N 2.74Å; V2323-A2325 VanDerWaalsContact C-N 3.34Å; A2325-C2336 HydrophobicContact CB-CB 4.18Å; A2325-K2339 WeakPolarHBondContact O-CE 3.48Å; A2325-C2356 HydrophobicContact CB-CB 4.39Å; A2325-C2356 VanDerWaalsContact CB-SG 3.53Å
2326	I	75.3	Confident	60.1	Low	92 Å²	92	59.3 Å²	59.3	47%	0.472	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	113.2	157.5	-51.1	-176.6	0	0	0	105.7	V2328 E2337 K2339	I2326-V2328 HydrophobicContact CG2-CG2 4.22Å; I2326-V2328 PolarHBondContact O-N 2.73Å; I2326-E2337 WeakPolarHBondContact CA-O 3.12Å; I2326-E2337 PolarHBondContact N-O 2.83Å; I2326-E2337 PolarHBondContact O-N 2.6Å; I2326-K2339 HydrophobicContact CD1-CG 4.4Å; I2326-K2339 HydrophobicContact CG1-CG 3.6Å
2327	C	74.3	Confident	61	Low	21 Å²	21	56.7 Å²	56.7	14%	0.142	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	123.2	169.8	-172.8	0	0	0	0	109	C2313 N2319 C2321	C2313-C2327 WeakPolarHBondContact CA-SG 3.31Å; C2313-C2327 HydrophobicContact CB-CB 3.36Å; C2313-C2327 WeakPolarHBondContact CB-SG 3.3Å; C2313-C2327 PolarHBondContact N-SG 2.95Å; C2313-C2327 VanDerWaalsContact N-SG 3.38Å; C2313-C2327 VanDerWaalsContact SG-CA 3.57Å; C2313-C2327 WeakPolarHBondContact SG-CB 2.98Å; C2313-C2327 PolarHBondContact SG-O 3.19Å; C2313-C2327 VanDerWaalsContact SG-O 3.42Å; C2313-C2327 CovalentContact SG-SG 2.02Å; C2313-C2327 PolarHBondContact SG-SG 3.09Å; N2319-C2327 VanDerWaalsContact OD1-CB 3.3Å; N2319-C2327 WeakPolarHBondContact OD1-CB 3.07Å; C2321-C2327 HydrophobicContact CB-CB 4.33Å; C2321-C2327 WeakPolarHBondContact SG-CB 3.37Å; C2321-C2327 PolarHBondContact SG-SG 2.58Å
2328	V	67.8	Low	62.3	Low	46 Å²	46	55.4 Å²	55.4	28%	0.279	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	102.6	178.7	-176.8	0	0	0	0	108.7	C2313 I2326 S2335 E2337	C2313-V2328 PolarHBondContact SG-N 3.21Å; I2326-V2328 HydrophobicContact CG2-CG2 4.22Å; I2326-V2328 PolarHBondContact O-N 2.73Å; V2328-S2335 WeakPolarHBondContact CA-O 3.03Å; V2328-S2335 WeakPolarHBondContact CB-O 3.35Å; V2328-S2335 PolarHBondContact N-O 2.94Å; V2328-S2335 PolarHBondContact O-N 3.25Å; V2328-S2335 VanDerWaalsContact O-O 3.11Å; V2328-E2337 HydrophobicContact CB-CG 4.28Å; V2328-E2337 HydrophobicContact CG2-CB 3.9Å; V2328-E2337 HydrophobicContact CG2-CG 3.93Å
2329	D	60.5	Low	63.3	Low	72 Å²	72	59.3 Å²	59.3	39%	0.385	31%	0.314	S	S	.	.			trans	-60.8	136.5	177.6	177.6	27.6	0	0	0	112.1	N2311 C2313	N2311-D2329 VanDerWaalsContact CG-CG 3.48Å; N2311-D2329 VanDerWaalsContact ND2-CB 3.32Å; N2311-D2329 WeakPolarHBondContact ND2-CB 3.4Å; N2311-D2329 PolarHBondContact ND2-OD2 2.84Å; C2313-D2329 PolarHBondContact SG-N 3.36Å
2330	K	57.4	Low	63.6	Low	85 Å²	85	63.7 Å²	63.7	37%	0.37	34%	0.344	S	S	.	.			trans	-145.9	135.6	176.5	-54.2	171.8	-171.2	166.6	0	107.2	G2332 K2333 S2335 E2337	K2330-G2332 PolarHBondContact O-N 2.04Å; K2330-K2333 WeakPolarHBondContact CB-O 3.4Å; K2330-K2333 CarbonylContact O-C 3.47Å; K2330-K2333 PolarHBondContact O-N 2.83Å; K2330-S2335 VanDerWaalsContact CE-CB 3.5Å; K2330-S2335 PolarHBondContact NZ-OG 3.45Å; K2330-E2337 IonicContact NZ-OE1 3.12Å; K2330-E2337 PolarHBondContact NZ-OE1 3.38Å
2331	Q	49.1	Very low	63.4	Low	198 Å²	198	62.7 Å²	62.7	93%	0.925	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.3	124.4	-170.4	-61.8	-173.3	-76.9	0	0	112.5	K2333	Q2331-K2333 VanDerWaalsContact C-N 3.29Å; Q2331-K2333 PolarHBondContact O-N 3.17Å
2332	G	48.2	Very low	63.4	Low	36 Å²	36	64.6 Å²	64.6	37%	0.371	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	74	7.5	-177.3	0	0	0	0	0	116.2	G2307 K2330	G2307-G2332 WeakPolarHBondContact O-CA 3.47Å; K2330-G2332 PolarHBondContact O-N 2.04Å
2333	K	52	Low	63.6	Low	149 Å²	149	65.2 Å²	65.2	65%	0.648	35%	0.351	S	S	*	.	S	Bend	trans	-177.9	111.2	168.8	-113.2	175.1	-178.1	-177.1	0	111.7	K2330 Q2331	K2330-K2333 WeakPolarHBondContact CB-O 3.4Å; K2330-K2333 CarbonylContact O-C 3.47Å; K2330-K2333 PolarHBondContact O-N 2.83Å; Q2331-K2333 VanDerWaalsContact C-N 3.29Å; Q2331-K2333 PolarHBondContact O-N 3.17Å
2334	Y	55.9	Low	63.6	Low	14 Å²	14	61.7 Å²	61.7	6%	0.055	33%	0.328	C	S	.	.			trans	-51.9	155.2	160.4	74.4	-62.6	0	0	0	112.8	E2312 C2336 P2351	E2312-Y2334 HydrophobicContact CB-CD1 3.83Å; E2312-Y2334 HydrophobicContact CB-CD2 3.74Å; E2312-Y2334 HydrophobicContact CB-CE1 4.07Å; E2312-Y2334 HydrophobicContact CB-CE2 4.01Å; E2312-Y2334 HydrophobicContact CB-CG 3.62Å; E2312-Y2334 HydrophobicContact CG-CD1 3.48Å; E2312-Y2334 VanDerWaalsContact CG-CD1 3.48Å; E2312-Y2334 HydrophobicContact CG-CD2 4.27Å; E2312-Y2334 HydrophobicContact CG-CE1 3.48Å; E2312-Y2334 VanDerWaalsContact CG-CE1 3.48Å; E2312-Y2334 HydrophobicContact CG-CE2 4.28Å; E2312-Y2334 HydrophobicContact CG-CG 3.86Å; E2312-Y2334 WeakPolarHBondContact OE1-CD1 3.47Å; E2312-Y2334 VanDerWaalsContact OE1-CE1 3.31Å; E2312-Y2334 WeakPolarHBondContact OE1-CE1 3.33Å; E2312-Y2334 WeakPolarHBondContact OE2-CB 3.25Å; E2312-Y2334 WeakPolarHBondContact OE2-CD1 3.17Å; Y2334-C2336 VanDerWaalsContact CE2-SG 3.57Å; Y2334-P2351 HydrophobicContact CE1-CB 4.5Å; Y2334-P2351 HydrophobicContact CE1-CG 4.5Å
2335	S	60.4	Low	63.9	Low	25 Å²	25	59.4 Å²	59.4	18%	0.175	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	112.3	178.7	172.5	0	0	0	0	108.1	V2328 K2330 E2337	V2328-S2335 WeakPolarHBondContact CA-O 3.03Å; V2328-S2335 WeakPolarHBondContact CB-O 3.35Å; V2328-S2335 PolarHBondContact N-O 2.94Å; V2328-S2335 PolarHBondContact O-N 3.25Å; V2328-S2335 VanDerWaalsContact O-O 3.11Å; K2330-S2335 VanDerWaalsContact CE-CB 3.5Å; K2330-S2335 PolarHBondContact NZ-OG 3.45Å; S2335-E2337 PolarHBondContact O-N 3.35Å
2336	C	70	Confident	63.4	Low	5 Å²	5	60 Å²	60	3%	0.034	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	112.1	175	-44.6	0	0	0	0	108.6	C2321 A2325 Y2334 R2352 G2353	C2321-C2336 WeakPolarHBondContact CA-SG 3.48Å; C2321-C2336 HydrophobicContact CB-CB 3.41Å; C2321-C2336 VanDerWaalsContact CB-CB 3.41Å; C2321-C2336 WeakPolarHBondContact CB-SG 3.15Å; C2321-C2336 VanDerWaalsContact SG-CA 3.52Å; C2321-C2336 WeakPolarHBondContact SG-CB 3.45Å; C2321-C2336 CovalentContact SG-SG 2.01Å; C2321-C2336 PolarHBondContact SG-SG 3.46Å; A2325-C2336 HydrophobicContact CB-CB 4.18Å; Y2334-C2336 VanDerWaalsContact CE2-SG 3.57Å; C2336-R2352 WeakPolarHBondContact CA-O 3.42Å; C2336-R2352 WeakPolarHBondContact CB-O 3.11Å; C2336-R2352 PolarHBondContact N-O 2.75Å; C2336-R2352 CarbonylContact O-C 3.52Å; C2336-G2353 VanDerWaalsContact CB-CA 3.46Å; C2336-G2353 WeakPolarHBondContact CB-O 3.35Å; C2336-G2353 WeakPolarHBondContact O-CA 3.48Å
2337	E	69.7	Low	62.2	Low	97 Å²	97	59.4 Å²	59.4	45%	0.453	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	109	173	-65.9	-174.7	-172.5	0	0	106.7	I2326 V2328 K2330 S2335 K2339	I2326-E2337 WeakPolarHBondContact CA-O 3.12Å; I2326-E2337 PolarHBondContact N-O 2.83Å; I2326-E2337 PolarHBondContact O-N 2.6Å; V2328-E2337 HydrophobicContact CB-CG 4.28Å; V2328-E2337 HydrophobicContact CG2-CB 3.9Å; V2328-E2337 HydrophobicContact CG2-CG 3.93Å; K2330-E2337 IonicContact NZ-OE1 3.12Å; K2330-E2337 PolarHBondContact NZ-OE1 3.38Å; S2335-E2337 PolarHBondContact O-N 3.35Å; E2337-K2339 PolarHBondContact O-N 3.44Å
2338	C	72.4	Confident	60.7	Low	29 Å²	29	63.6 Å²	63.6	20%	0.196	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-52.9	139.8	-175.2	-58.4	0	0	0	0	111.4	F2342 D2344 C2356	C2338-F2342 HydrophobicContact CB-CB 3.91Å; C2338-F2342 WeakPolarHBondContact CB-O 3.08Å; C2338-D2344 PolarHBondContact SG-N 3.14Å; C2338-C2356 WeakPolarHBondContact CA-SG 3.4Å; C2338-C2356 HydrophobicContact CB-CB 3.73Å; C2338-C2356 WeakPolarHBondContact CB-SG 3.21Å; C2338-C2356 WeakPolarHBondContact SG-CB 3.18Å; C2338-C2356 CovalentContact SG-SG 2.03Å; C2338-C2356 PolarHBondContact SG-SG 3.29Å
2339	K	65.7	Low	59.5	Low	85 Å²	85	68.2 Å²	68.2	37%	0.37	37%	0.368	S	S	.	.	P	Polyproline II helix	trans	-57.5	146.3	176.9	-72.6	168	-177.5	161.1	0	108	V2323 N2324 A2325 I2326 E2337 G2341 F2342	V2323-K2339 PolarHBondContact O-NZ 3.18Å; N2324-K2339 VanDerWaalsContact O-CB 3.28Å; N2324-K2339 WeakPolarHBondContact O-CB 3.42Å; N2324-K2339 WeakPolarHBondContact O-CG 3.49Å; N2324-K2339 PolarHBondContact O-N 3.49Å; A2325-K2339 WeakPolarHBondContact O-CE 3.48Å; I2326-K2339 HydrophobicContact CD1-CG 4.4Å; I2326-K2339 HydrophobicContact CG1-CG 3.6Å; E2337-K2339 PolarHBondContact O-N 3.44Å; K2339-G2341 PolarHBondContact O-N 3.38Å; K2339-F2342 HydrophobicContact CB-CD2 4.03Å; K2339-F2342 WeakPolarHBondContact O-CB 3.34Å; K2339-F2342 PolarHBondContact O-N 3.1Å
2340	P	60.8	Low	58.9	Low	124 Å²	124	66 Å²	66	81%	0.805	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.7	127.5	174.3	-27.2	35.6	0	0	0	110.6
2341	G	55	Low	58.5	Low	9 Å²	9	63.4 Å²	63.4	9%	0.093	35%	0.353	C	S	.	.	T	Hydrogen-bonded Turn	trans	99.7	-1.7	-168.1	0	0	0	0	0	115.1	K2339 L2358 D2359 D2363	K2339-G2341 PolarHBondContact O-N 3.38Å; G2341-L2358 WeakPolarHBondContact O-CD1 3.33Å; G2341-D2359 PolarHBondContact O-N 2.91Å; G2341-D2363 VanDerWaalsContact CA-OD2 3.27Å; G2341-D2363 WeakPolarHBondContact CA-OD2 3.03Å
2342	F	67.8	Low	58.6	Low	50 Å²	50	63 Å²	63	22%	0.219	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	149.1	-177.3	-62.2	-95.5	0	0	0	112.4	N2324 C2338 K2339 C2356 I2357 L2358	N2324-F2342 HydrophobicContact CB-CB 4.31Å; N2324-F2342 HydrophobicContact CB-CD1 3.2Å; N2324-F2342 HydrophobicContact CB-CD2 3.97Å; N2324-F2342 HydrophobicContact CB-CE1 3.34Å; N2324-F2342 HydrophobicContact CB-CE2 4.07Å; N2324-F2342 HydrophobicContact CB-CG 3.56Å; N2324-F2342 HydrophobicContact CB-CZ 3.77Å; N2324-F2342 VanDerWaalsContact ND2-CE1 3.34Å; N2324-F2342 WeakPolarHBondContact ND2-CE1 3.48Å; C2338-F2342 HydrophobicContact CB-CB 3.91Å; C2338-F2342 WeakPolarHBondContact CB-O 3.08Å; K2339-F2342 HydrophobicContact CB-CD2 4.03Å; K2339-F2342 WeakPolarHBondContact O-CB 3.34Å; K2339-F2342 PolarHBondContact O-N 3.1Å; F2342-C2356 HydrophobicContact CB-CB 4.15Å; F2342-I2357 CarbonylContact C-O 3.23Å; F2342-I2357 VanDerWaalsContact CA-O 3.32Å; F2342-I2357 WeakPolarHBondContact CA-O 3.3Å; F2342-I2357 WeakPolarHBondContact CB-O 3.28Å; F2342-I2357 WeakPolarHBondContact CD1-O 3.03Å; F2342-L2358 HydrophobicContact CD1-CB 4.21Å; F2342-L2358 HydrophobicContact CD1-CD1 3.98Å; F2342-L2358 HydrophobicContact CE1-CB 4.1Å; F2342-L2358 HydrophobicContact CE1-CD1 3.45Å; F2342-L2358 VanDerWaalsContact CE1-CD1 3.45Å; F2342-L2358 HydrophobicContact CE1-CG 4.39Å; F2342-L2358 HydrophobicContact CE2-CD1 4.07Å; F2342-L2358 HydrophobicContact CG-CD1 4.47Å; F2342-L2358 HydrophobicContact CZ-CD1 3.51Å
2343	V	68.8	Low	59.2	Low	35 Å²	35	61.3 Å²	61.3	21%	0.212	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	146.8	176.8	-88.3	0	0	0	0	114.2	V2345 C2356 I2357 D2359 N2375	V2343-V2345 HydrophobicContact CG2-CG1 4.13Å; V2343-V2345 PolarHBondContact O-N 3.2Å; V2343-C2356 VanDerWaalsContact O-CA 3.28Å; V2343-C2356 WeakPolarHBondContact O-CA 2.96Å; V2343-I2357 HydrophobicContact CG2-CG1 4.49Å; V2343-I2357 PolarHBondContact N-O 2.79Å; V2343-I2357 PolarHBondContact O-N 2.84Å; V2343-D2359 HydrophobicContact CB-CB 3.93Å; V2343-D2359 HydrophobicContact CG1-CB 3.62Å; V2343-D2359 WeakPolarHBondContact CG1-OD2 3.41Å; V2343-D2359 HydrophobicContact CG2-CB 3.65Å; V2343-N2375 HydrophobicContact CG2-CB 4.12Å; V2343-N2375 WeakPolarHBondContact CG2-ND2 3.43Å
2344	D	68.2	Low	59.9	Low	53 Å²	53	58.3 Å²	58.3	28%	0.283	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	104	169	176.7	31.3	0	0	0	111.2	C2338 S2346 R2352 G2353	C2338-D2344 PolarHBondContact SG-N 3.14Å; D2344-S2346 WeakPolarHBondContact OD1-CB 3.14Å; D2344-S2346 PolarHBondContact OD1-N 3.1Å; D2344-S2346 PolarHBondContact OD1-OG 3.49Å; D2344-R2352 VanDerWaalsContact OD2-CA 3.31Å; D2344-R2352 WeakPolarHBondContact OD2-CA 3.24Å; D2344-R2352 WeakPolarHBondContact OD2-CB 3.32Å; D2344-R2352 VanDerWaalsContact OD2-CD 3.27Å; D2344-R2352 WeakPolarHBondContact OD2-CD 3.18Å; D2344-R2352 WeakPolarHBondContact OD2-CG 3.43Å; D2344-R2352 IonicContact OD2-NE 3.11Å; D2344-G2353 WeakPolarHBondContact OD1-CA 3.26Å; D2344-G2353 PolarHBondContact OD1-N 2.96Å; D2344-G2353 PolarHBondContact OD2-N 3.48Å
2345	V	70.2	Confident	60.4	Low	16 Å²	16	61.1 Å²	61.1	10%	0.097	33%	0.326	C	S	.	.			trans	-106.2	17.4	167.4	-60.3	0	0	0	0	111.7	V2343 I2355 I2357 N2375 P2377	V2343-V2345 HydrophobicContact CG2-CG1 4.13Å; V2343-V2345 PolarHBondContact O-N 3.2Å; V2345-I2355 HydrophobicContact CG2-CB 4.02Å; V2345-I2355 HydrophobicContact CG2-CG2 3.58Å; V2345-I2355 WeakPolarHBondContact CG2-O 3.11Å; V2345-I2355 PolarHBondContact N-O 2.68Å; V2345-I2357 HydrophobicContact CB-CG1 4.45Å; V2345-I2357 HydrophobicContact CG1-CD1 3.86Å; V2345-I2357 HydrophobicContact CG1-CG1 3.83Å; V2345-I2357 HydrophobicContact CG2-CB 4.38Å; V2345-I2357 HydrophobicContact CG2-CD1 3.97Å; V2345-I2357 HydrophobicContact CG2-CG1 3.74Å; V2345-I2357 HydrophobicContact CG2-CG2 3.95Å; V2345-N2375 HydrophobicContact CG1-CB 3.77Å; V2345-P2377 HydrophobicContact CB-CB 4.35Å; V2345-P2377 HydrophobicContact CB-CG 4.19Å; V2345-P2377 HydrophobicContact CG2-CB 4.5Å
2346	S	60.9	Low	60.9	Low	18 Å²	18	60 Å²	60	13%	0.126	32%	0.318	C	S	.	.			trans	-60.1	138.1	-179.9	-43.6	0	0	0	0	110.5	D2344 P2351 G2353 R2354 I2355	D2344-S2346 WeakPolarHBondContact OD1-CB 3.14Å; D2344-S2346 PolarHBondContact OD1-N 3.1Å; D2344-S2346 PolarHBondContact OD1-OG 3.49Å; S2346-P2351 PolarHBondContact OG-O 2.84Å; S2346-G2353 PolarHBondContact OG-N 3.11Å; S2346-R2354 PolarHBondContact OG-N 3.3Å; S2346-I2355 PolarHBondContact OG-N 3.28Å
2347	P	50.2	Low	60.5	Low	80 Å²	80	60.5 Å²	60.5	52%	0.519	32%	0.32	S	S	.	.			trans	-59.7	147.1	177.6	24.6	-34	0	0	0	110.8	E2349 G2350	P2347-E2349 PolarHBondContact O-N 3.24Å; P2347-G2350 PolarHBondContact O-N 3.03Å
2348	P	43.7	Very low	60	Low	110 Å²	110	59.1 Å²	59.1	71%	0.714	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.8	-8.9	-164.7	24.4	-35.3	0	0	0	116.1
2349	E	43.1	Very low	59.6	Low	143 Å²	143	58.8 Å²	58.8	67%	0.668	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.2	-3.5	172.6	-60.2	-164.2	144.3	0	0	113.4	R707 P2347	R707-E2349 IonicContact NH1-OE1 3.99Å; R707-E2349 PolarHBondContact NH1-OE1 2.95Å; P2347-E2349 PolarHBondContact O-N 3.24Å
2350	G	46.8	Very low	59.3	Low	26 Å²	26	58.5 Å²	58.5	27%	0.268	31%	0.309	S	S	.	.	S	Bend	trans	-98.3	169.4	177.2	0	0	0	0	0	114.8	P2347	P2347-G2350 PolarHBondContact O-N 3.03Å
2351	P	49.9	Very low	59.2	Low	29 Å²	29	54.2 Å²	54.2	19%	0.188	28%	0.282	C	S	.	.	P	Polyproline II helix	trans	-64.6	139.3	168.6	27.7	-32.4	0	0	0	110.2	Y2334 S2346 G2353 R2354	Y2334-P2351 HydrophobicContact CE1-CB 4.5Å; Y2334-P2351 HydrophobicContact CE1-CG 4.5Å; S2346-P2351 PolarHBondContact OG-O 2.84Å; P2351-G2353 PolarHBondContact O-N 2.93Å; P2351-R2354 HydrophobicContact CG-CB 4.26Å; P2351-R2354 HydrophobicContact CG-CG 4.27Å; P2351-R2354 WeakPolarHBondContact O-CB 3.34Å; P2351-R2354 PolarHBondContact O-N 3.33Å
2352	R	50.1	Low	59.2	Low	190 Å²	190	56.3 Å²	56.3	72%	0.717	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	135.4	176.5	-73.8	-155	171.5	175.4	-3.2	110.9	C2336 D2344	C2336-R2352 WeakPolarHBondContact CA-O 3.42Å; C2336-R2352 WeakPolarHBondContact CB-O 3.11Å; C2336-R2352 PolarHBondContact N-O 2.75Å; C2336-R2352 CarbonylContact O-C 3.52Å; D2344-R2352 VanDerWaalsContact OD2-CA 3.31Å; D2344-R2352 WeakPolarHBondContact OD2-CA 3.24Å; D2344-R2352 WeakPolarHBondContact OD2-CB 3.32Å; D2344-R2352 VanDerWaalsContact OD2-CD 3.27Å; D2344-R2352 WeakPolarHBondContact OD2-CD 3.18Å; D2344-R2352 WeakPolarHBondContact OD2-CG 3.43Å; D2344-R2352 IonicContact OD2-NE 3.11Å
2353	G	60.5	Low	58.1	Low	0 Å²	0	59.5 Å²	59.5	0%	0	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	76.7	16.4	-179.5	0	0	0	0	0	115.3	S2322 C2336 D2344 S2346 P2351 I2355 C2356	S2322-G2353 PolarHBondContact N-O 3.21Å; C2336-G2353 VanDerWaalsContact CB-CA 3.46Å; C2336-G2353 WeakPolarHBondContact CB-O 3.35Å; C2336-G2353 WeakPolarHBondContact O-CA 3.48Å; D2344-G2353 WeakPolarHBondContact OD1-CA 3.26Å; D2344-G2353 PolarHBondContact OD1-N 2.96Å; D2344-G2353 PolarHBondContact OD2-N 3.48Å; S2346-G2353 PolarHBondContact OG-N 3.11Å; P2351-G2353 PolarHBondContact O-N 2.93Å; G2353-I2355 VanDerWaalsContact C-N 3.29Å; G2353-C2356 WeakPolarHBondContact CA-SG 3.12Å; G2353-C2356 PolarHBondContact O-SG 3.25Å
2354	R	67.8	Low	57.2	Low	87 Å²	87	60.8 Å²	60.8	33%	0.328	33%	0.331	S	S	.	.	S	Bend	trans	-57.9	-46.4	168.4	-152.7	-171.3	-159.2	159.5	9.8	110.3	S2297 N2320 S2322 S2346 P2351	S2297-R2354 VanDerWaalsContact OG-CZ 3.26Å; S2297-R2354 PolarHBondContact OG-NE 2.87Å; S2297-R2354 PolarHBondContact OG-NH2 2.87Å; N2320-R2354 HydrophobicContact CB-CG 4.37Å; N2320-R2354 WeakPolarHBondContact O-CA 3.18Å; N2320-R2354 WeakPolarHBondContact O-CG 3.07Å; S2322-R2354 WeakPolarHBondContact CB-O 3.21Å; S2322-R2354 PolarHBondContact N-O 3.38Å; S2346-R2354 PolarHBondContact OG-N 3.3Å; P2351-R2354 HydrophobicContact CG-CB 4.26Å; P2351-R2354 HydrophobicContact CG-CG 4.27Å; P2351-R2354 WeakPolarHBondContact O-CB 3.34Å; P2351-R2354 PolarHBondContact O-N 3.33Å
2355	I	66.2	Low	56.5	Low	72 Å²	72	63.7 Å²	63.7	37%	0.369	35%	0.353	S	S	.	.	S	Bend	trans	-108.3	89.1	170	-47.6	178.3	0	0	0	107.6	V2345 S2346 G2353 I2357	V2345-I2355 HydrophobicContact CG2-CB 4.02Å; V2345-I2355 HydrophobicContact CG2-CG2 3.58Å; V2345-I2355 WeakPolarHBondContact CG2-O 3.11Å; V2345-I2355 PolarHBondContact N-O 2.68Å; S2346-I2355 PolarHBondContact OG-N 3.28Å; G2353-I2355 VanDerWaalsContact C-N 3.29Å; I2355-I2357 HydrophobicContact CG2-CG2 3.93Å
2356	C	71.2	Confident	55.7	Low	3 Å²	3	67.9 Å²	67.9	2%	0.02	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	95.3	160.6	-58.3	0	0	0	0	108.8	S2322 A2325 C2338 F2342 V2343 G2353	S2322-C2356 PolarHBondContact OG-O 3.22Å; A2325-C2356 HydrophobicContact CB-CB 4.39Å; A2325-C2356 VanDerWaalsContact CB-SG 3.53Å; C2338-C2356 WeakPolarHBondContact CA-SG 3.4Å; C2338-C2356 HydrophobicContact CB-CB 3.73Å; C2338-C2356 WeakPolarHBondContact CB-SG 3.21Å; C2338-C2356 WeakPolarHBondContact SG-CB 3.18Å; C2338-C2356 CovalentContact SG-SG 2.03Å; C2338-C2356 PolarHBondContact SG-SG 3.29Å; F2342-C2356 HydrophobicContact CB-CB 4.15Å; V2343-C2356 VanDerWaalsContact O-CA 3.28Å; V2343-C2356 WeakPolarHBondContact O-CA 2.96Å; G2353-C2356 WeakPolarHBondContact CA-SG 3.12Å; G2353-C2356 PolarHBondContact O-SG 3.25Å
2357	I	61.2	Low	55.5	Low	14 Å²	14	67.4 Å²	67.4	7%	0.072	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	167.5	160.9	65.7	173.4	0	0	0	109.1	F2342 V2343 V2345 I2355 D2359 Y2360 N2375 E2380	F2342-I2357 CarbonylContact C-O 3.23Å; F2342-I2357 VanDerWaalsContact CA-O 3.32Å; F2342-I2357 WeakPolarHBondContact CA-O 3.3Å; F2342-I2357 WeakPolarHBondContact CB-O 3.28Å; F2342-I2357 WeakPolarHBondContact CD1-O 3.03Å; V2343-I2357 HydrophobicContact CG2-CG1 4.49Å; V2343-I2357 PolarHBondContact N-O 2.79Å; V2343-I2357 PolarHBondContact O-N 2.84Å; V2345-I2357 HydrophobicContact CB-CG1 4.45Å; V2345-I2357 HydrophobicContact CG1-CD1 3.86Å; V2345-I2357 HydrophobicContact CG1-CG1 3.83Å; V2345-I2357 HydrophobicContact CG2-CB 4.38Å; V2345-I2357 HydrophobicContact CG2-CD1 3.97Å; V2345-I2357 HydrophobicContact CG2-CG1 3.74Å; V2345-I2357 HydrophobicContact CG2-CG2 3.95Å; I2355-I2357 HydrophobicContact CG2-CG2 3.93Å; I2357-D2359 PolarHBondContact O-N 3.45Å; I2357-Y2360 HydrophobicContact CD1-CE2 4.36Å; I2357-N2375 HydrophobicContact CD1-CB 4.35Å; I2357-E2380 HydrophobicContact CG2-CG 4.44Å
2358	L	60.2	Low	55.9	Low	68 Å²	68	64.6 Å²	64.6	36%	0.356	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.1	133.1	171.9	-164.3	74.6	0	0	0	108.8	G2341 F2342 Y2360	G2341-L2358 WeakPolarHBondContact O-CD1 3.33Å; F2342-L2358 HydrophobicContact CD1-CB 4.21Å; F2342-L2358 HydrophobicContact CD1-CD1 3.98Å; F2342-L2358 HydrophobicContact CE1-CB 4.1Å; F2342-L2358 HydrophobicContact CE1-CD1 3.45Å; F2342-L2358 VanDerWaalsContact CE1-CD1 3.45Å; F2342-L2358 HydrophobicContact CE1-CG 4.39Å; F2342-L2358 HydrophobicContact CE2-CD1 4.07Å; F2342-L2358 HydrophobicContact CG-CD1 4.47Å; F2342-L2358 HydrophobicContact CZ-CD1 3.51Å; L2358-Y2360 HydrophobicContact CB-CD2 4.37Å; L2358-Y2360 HydrophobicContact CB-CE1 4.33Å; L2358-Y2360 HydrophobicContact CB-CE2 3.97Å; L2358-Y2360 HydrophobicContact CD2-CD1 4.09Å; L2358-Y2360 HydrophobicContact CD2-CE1 3.82Å; L2358-Y2360 WeakPolarHBondContact O-CD2 3.04Å; L2358-Y2360 WeakPolarHBondContact O-CE2 3.31Å; L2358-Y2360 PolarHBondContact O-N 2.04Å
2359	D	62.3	Low	56.7	Low	22 Å²	22	62.8 Å²	62.8	12%	0.118	34%	0.343	C	S	.	.			trans	-81.9	82.7	170.7	-168.6	10.2	0	0	0	107.8	G2341 V2343 I2357 C2361 A2362 D2363 N2375	G2341-D2359 PolarHBondContact O-N 2.91Å; V2343-D2359 HydrophobicContact CB-CB 3.93Å; V2343-D2359 HydrophobicContact CG1-CB 3.62Å; V2343-D2359 WeakPolarHBondContact CG1-OD2 3.41Å; V2343-D2359 HydrophobicContact CG2-CB 3.65Å; I2357-D2359 PolarHBondContact O-N 3.45Å; D2359-C2361 PolarHBondContact O-N 3.24Å; D2359-C2361 VanDerWaalsContact OD1-CA 3.27Å; D2359-C2361 WeakPolarHBondContact OD1-CA 3.36Å; D2359-C2361 WeakPolarHBondContact OD1-CB 3.48Å; D2359-C2361 PolarHBondContact OD1-N 3.43Å; D2359-A2362 HydrophobicContact CB-CB 3.63Å; D2359-A2362 PolarHBondContact O-N 3.11Å; D2359-A2362 PolarHBondContact OD1-N 2.88Å; D2359-A2362 VanDerWaalsContact OD2-CB 3.25Å; D2359-A2362 WeakPolarHBondContact OD2-CB 3.31Å; D2359-A2362 PolarHBondContact OD2-N 3.33Å; D2359-D2363 PolarHBondContact O-N 2.89Å; D2359-N2375 PolarHBondContact OD1-ND2 2.86Å
2360	Y	59.7	Low	57.5	Low	79 Å²	79	57.9 Å²	57.9	31%	0.31	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.2	-21.2	166.4	-58.7	-80.7	0	0	0	111.2	I2357 L2358 F2366 E2380 A2382	I2357-Y2360 HydrophobicContact CD1-CE2 4.36Å; L2358-Y2360 HydrophobicContact CB-CD2 4.37Å; L2358-Y2360 HydrophobicContact CB-CE1 4.33Å; L2358-Y2360 HydrophobicContact CB-CE2 3.97Å; L2358-Y2360 HydrophobicContact CD2-CD1 4.09Å; L2358-Y2360 HydrophobicContact CD2-CE1 3.82Å; L2358-Y2360 WeakPolarHBondContact O-CD2 3.04Å; L2358-Y2360 WeakPolarHBondContact O-CE2 3.31Å; L2358-Y2360 PolarHBondContact O-N 2.04Å; Y2360-F2366 HydrophobicContact CD1-CD2 4.44Å; Y2360-F2366 HydrophobicContact CD1-CE2 4.04Å; Y2360-F2366 HydrophobicContact CG-CE2 4.29Å; Y2360-F2366 WeakPolarHBondContact O-CB 3.48Å; Y2360-E2380 WeakPolarHBondContact CE2-O 3.34Å; Y2360-E2380 PolarHBondContact OH-O 3.47Å; Y2360-A2382 HydrophobicContact CG-CB 4.34Å
2361	C	58.5	Low	58.5	Low	35 Å²	35	57.3 Å²	57.3	24%	0.236	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.5	-10.6	173.7	-48.3	0	0	0	0	115.9	D2359 C2373 N2375	D2359-C2361 PolarHBondContact O-N 3.24Å; D2359-C2361 VanDerWaalsContact OD1-CA 3.27Å; D2359-C2361 WeakPolarHBondContact OD1-CA 3.36Å; D2359-C2361 WeakPolarHBondContact OD1-CB 3.48Å; D2359-C2361 PolarHBondContact OD1-N 3.43Å; C2361-C2373 WeakPolarHBondContact CA-SG 3.08Å; C2361-C2373 HydrophobicContact CB-CB 3.52Å; C2361-C2373 WeakPolarHBondContact CB-SG 3.23Å; C2361-C2373 WeakPolarHBondContact SG-CB 3.38Å; C2361-C2373 CovalentContact SG-SG 2.02Å; C2361-C2373 PolarHBondContact SG-SG 3.34Å; C2361-N2375 PolarHBondContact SG-ND2 2.85Å
2362	A	56.8	Low	59.2	Low	52 Å²	52	59.2 Å²	59.2	43%	0.43	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.8	-52.2	177	0	0	0	0	0	111.6	D2359 A2364	D2359-A2362 HydrophobicContact CB-CB 3.63Å; D2359-A2362 PolarHBondContact O-N 3.11Å; D2359-A2362 PolarHBondContact OD1-N 2.88Å; D2359-A2362 VanDerWaalsContact OD2-CB 3.25Å; D2359-A2362 WeakPolarHBondContact OD2-CB 3.31Å; D2359-A2362 PolarHBondContact OD2-N 3.33Å; A2362-A2364 PolarHBondContact O-N 2.84Å
2363	D	44.2	Very low	60	Low	118 Å²	118	51.7 Å²	51.7	63%	0.631	30%	0.3	S	S	*	.	S	Bend	trans	-88.4	83.2	-172.3	-73.4	-35.2	0	0	0	110.4	G2341 D2359	G2341-D2363 VanDerWaalsContact CA-OD2 3.27Å; G2341-D2363 WeakPolarHBondContact CA-OD2 3.03Å; D2359-D2363 PolarHBondContact O-N 2.89Å
2364	A	49.2	Very low	60.2	Low	61 Å²	61	55.8 Å²	55.8	50%	0.504	32%	0.321	S	S	.	.	S	Bend	trans	75.4	155	-173.1	0	0	0	0	0	114.6	A2362 F2366	A2362-A2364 PolarHBondContact O-N 2.84Å; A2364-F2366 VanDerWaalsContact C-N 3.35Å; A2364-F2366 PolarHBondContact O-N 2.72Å
2365	P	53	Low	59.7	Low	114 Å²	114	53.3 Å²	53.3	74%	0.74	32%	0.315	S	S	*	.			trans	-76.6	87.4	-180	31.8	-34.8	0	0	0	110.5	C2367	P2365-C2367 PolarHBondContact O-N 3.28Å
2366	F	54.5	Low	59.5	Low	104 Å²	104	51.3 Å²	51.3	46%	0.456	30%	0.304	S	S	.	.	S	Bend	trans	-46.4	-22.6	166.9	-172.3	-81.9	0	0	0	113.5	Y2360 A2364 A2382	Y2360-F2366 HydrophobicContact CD1-CD2 4.44Å; Y2360-F2366 HydrophobicContact CD1-CE2 4.04Å; Y2360-F2366 HydrophobicContact CG-CE2 4.29Å; Y2360-F2366 WeakPolarHBondContact O-CB 3.48Å; A2364-F2366 VanDerWaalsContact C-N 3.35Å; A2364-F2366 PolarHBondContact O-N 2.72Å; F2366-A2382 HydrophobicContact CD1-CB 3.78Å; F2366-A2382 HydrophobicContact CE1-CB 3.62Å; F2366-A2382 VanDerWaalsContact CE1-O 3.3Å; F2366-A2382 WeakPolarHBondContact CE1-O 3.27Å; F2366-A2382 HydrophobicContact CE2-CB 4.43Å; F2366-A2382 HydrophobicContact CG-CB 4.28Å; F2366-A2382 HydrophobicContact CZ-CB 3.97Å
2367	C	55.6	Low	58.3	Low	8 Å²	8	54.5 Å²	54.5	5%	0.054	33%	0.325	C	S	.	.	S	Bend	trans	-113	124.7	-178.5	-67.5	0	0	0	0	111.7	P2365 T2371 C2373 C2384	P2365-C2367 PolarHBondContact O-N 3.28Å; C2367-T2371 VanDerWaalsContact CB-OG1 3.24Å; C2367-T2371 WeakPolarHBondContact CB-OG1 3.02Å; C2367-C2373 HydrophobicContact CB-CB 3.85Å; C2367-C2373 WeakPolarHBondContact SG-CA 3.43Å; C2367-C2373 WeakPolarHBondContact SG-CB 3.47Å; C2367-C2373 VanDerWaalsContact SG-SG 3.66Å; C2367-C2384 WeakPolarHBondContact CA-SG 3.43Å; C2367-C2384 HydrophobicContact CB-CB 3.54Å; C2367-C2384 WeakPolarHBondContact CB-SG 3.28Å; C2367-C2384 WeakPolarHBondContact SG-CA 3.43Å; C2367-C2384 WeakPolarHBondContact SG-CB 3.43Å; C2367-C2384 CovalentContact SG-SG 2.03Å; C2367-C2384 PolarHBondContact SG-SG 2.76Å
2368	P	58.4	Low	57.7	Low	21 Å²	21	61.9 Å²	61.9	14%	0.136	36%	0.359	C	S	.	.			trans	-64.6	171.3	-172.7	24.5	-33.9	0	0	0	114	N2370 T2371 D2405 Y2407	P2368-N2370 PolarHBondContact O-N 3.43Å; P2368-T2371 VanDerWaalsContact CD-OG1 3.3Å; P2368-T2371 WeakPolarHBondContact CD-OG1 3.47Å; P2368-T2371 VanDerWaalsContact N-OG1 3.09Å; P2368-T2371 PolarHBondContact O-N 3.48Å; P2368-T2371 PolarHBondContact O-OG1 2.86Å; P2368-D2405 HydrophobicContact CB-CB 4.21Å; P2368-D2405 WeakPolarHBondContact CB-O 3.25Å; P2368-Y2407 HydrophobicContact CG-CD2 3.33Å; P2368-Y2407 HydrophobicContact CG-CE2 3.64Å; P2368-Y2407 HydrophobicContact CG-CG 3.97Å
2369	A	60.7	Low	57	Low	72 Å²	72	64.5 Å²	64.5	60%	0.595	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.6	130	179.8	0	0	0	0	0	111.7
2370	N	61.1	Low	56.2	Low	41 Å²	41	69.8 Å²	69.8	22%	0.219	40%	0.397	C	S	.	.	T	Hydrogen-bonded Turn	trans	72.8	18.9	-173.9	-35.9	-53.1	0	0	0	116.2	P2368 N2387 F2390 C2408	P2368-N2370 PolarHBondContact O-N 3.43Å; N2370-N2387 WeakPolarHBondContact CA-ND2 3.46Å; N2370-N2387 WeakPolarHBondContact O-CB 3.1Å; N2370-N2387 PolarHBondContact O-N 2.92Å; N2370-F2390 HydrophobicContact CB-CB 4.2Å; N2370-F2390 HydrophobicContact CB-CD1 3.33Å; N2370-F2390 HydrophobicContact CB-CD2 3.99Å; N2370-F2390 HydrophobicContact CB-CE1 3.63Å; N2370-F2390 HydrophobicContact CB-CE2 4.23Å; N2370-F2390 HydrophobicContact CB-CG 3.57Å; N2370-F2390 HydrophobicContact CB-CZ 4.08Å; N2370-F2390 VanDerWaalsContact ND2-CE1 3.28Å; N2370-F2390 WeakPolarHBondContact ND2-CE1 2.98Å; N2370-F2390 VanDerWaalsContact OD1-CE1 3.32Å; N2370-F2390 WeakPolarHBondContact OD1-CE1 3.2Å; N2370-F2390 WeakPolarHBondContact OD1-CZ 3.04Å; N2370-C2408 HydrophobicContact CB-CB 4.22Å; N2370-C2408 PolarHBondContact ND2-O 2.71Å; N2370-C2408 WeakPolarHBondContact O-CB 3.27Å
2371	T	67.8	Low	55.7	Low	13 Å²	13	66.7 Å²	66.7	8%	0.08	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	154.2	157.1	46.2	0	0	0	0	111.9	C2367 P2368 C2384 E2385 N2387 C2408	C2367-T2371 VanDerWaalsContact CB-OG1 3.24Å; C2367-T2371 WeakPolarHBondContact CB-OG1 3.02Å; P2368-T2371 VanDerWaalsContact CD-OG1 3.3Å; P2368-T2371 WeakPolarHBondContact CD-OG1 3.47Å; P2368-T2371 VanDerWaalsContact N-OG1 3.09Å; P2368-T2371 PolarHBondContact O-N 3.48Å; P2368-T2371 PolarHBondContact O-OG1 2.86Å; T2371-C2384 HydrophobicContact CG2-CB 3.96Å; T2371-E2385 CarbonylContact C-O 3.2Å; T2371-E2385 WeakPolarHBondContact CA-O 3.38Å; T2371-E2385 VanDerWaalsContact CB-O 3.27Å; T2371-E2385 WeakPolarHBondContact CB-O 3.1Å; T2371-N2387 PolarHBondContact O-ND2 2.91Å; T2371-N2387 PolarHBondContact O-OD1 3.43Å; T2371-C2408 HydrophobicContact CG2-CB 4.17Å; T2371-C2408 WeakPolarHBondContact CG2-SG 3.15Å
2372	T	63.6	Low	55.5	Low	70 Å²	70	65.9 Å²	65.9	43%	0.429	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	137.9	160.7	18.2	0	0	0	0	108.5	C2384 E2385 N2387	T2372-C2384 WeakPolarHBondContact O-CA 3.43Å; T2372-E2385 PolarHBondContact N-O 3.23Å; T2372-E2385 PolarHBondContact O-N 3.45Å; T2372-E2385 PolarHBondContact OG1-O 2.72Å; T2372-N2387 WeakPolarHBondContact CG2-OD1 3Å; T2372-N2387 PolarHBondContact N-OD1 2.03Å; T2372-N2387 PolarHBondContact OG1-OD1 3.47Å
2373	C	66.5	Low	55.8	Low	32 Å²	32	68.9 Å²	68.9	22%	0.216	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	135.2	171.9	-172.5	0	0	0	0	110.2	C2361 C2367	C2361-C2373 WeakPolarHBondContact CA-SG 3.08Å; C2361-C2373 HydrophobicContact CB-CB 3.52Å; C2361-C2373 WeakPolarHBondContact CB-SG 3.23Å; C2361-C2373 WeakPolarHBondContact SG-CB 3.38Å; C2361-C2373 CovalentContact SG-SG 2.02Å; C2361-C2373 PolarHBondContact SG-SG 3.34Å; C2367-C2373 HydrophobicContact CB-CB 3.85Å; C2367-C2373 WeakPolarHBondContact SG-CA 3.43Å; C2367-C2373 WeakPolarHBondContact SG-CB 3.47Å; C2367-C2373 VanDerWaalsContact SG-SG 3.66Å
2374	L	64.7	Low	56.9	Low	86 Å²	86	63.7 Å²	63.7	45%	0.45	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	118.4	176.5	-74.3	168.7	0	0	0	108.3	A2382 R2383 E2385	L2374-A2382 WeakPolarHBondContact O-CA 3.27Å; L2374-R2383 PolarHBondContact N-O 2.53Å; L2374-R2383 PolarHBondContact O-N 2.46Å; L2374-E2385 HydrophobicContact CD1-CB 4.47Å; L2374-E2385 HydrophobicContact CD1-CG 4.14Å
2375	N	58.2	Low	57.6	Low	34 Å²	34	64.5 Å²	64.5	18%	0.182	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	133.4	171.2	-60.2	-67	0	0	0	109.8	V2343 V2345 I2357 D2359 C2361	V2343-N2375 HydrophobicContact CG2-CB 4.12Å; V2343-N2375 WeakPolarHBondContact CG2-ND2 3.43Å; V2345-N2375 HydrophobicContact CG1-CB 3.77Å; I2357-N2375 HydrophobicContact CD1-CB 4.35Å; D2359-N2375 PolarHBondContact OD1-ND2 2.86Å; C2361-N2375 PolarHBondContact SG-ND2 2.85Å
2376	I	61.8	Low	58.3	Low	30 Å²	30	60.6 Å²	60.6	15%	0.154	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	119.6	-178.3	-60.3	-177.2	0	0	0	108.8	E2378 I2379 G2381 R2383	I2376-E2378 VanDerWaalsContact C-N 3.31Å; I2376-E2378 HydrophobicContact CG2-CB 4.13Å; I2376-E2378 WeakPolarHBondContact CG2-OE2 3.1Å; I2376-E2378 PolarHBondContact O-N 2.91Å; I2376-I2379 HydrophobicContact CB-CD1 4.4Å; I2376-I2379 HydrophobicContact CB-CG1 3.96Å; I2376-I2379 HydrophobicContact CD1-CD1 4.2Å; I2376-I2379 HydrophobicContact CG2-CD1 4.35Å; I2376-I2379 HydrophobicContact CG2-CG1 3.8Å; I2376-G2381 PolarHBondContact N-O 3.03Å; I2376-R2383 HydrophobicContact CD1-CB 3.45Å; I2376-R2383 VanDerWaalsContact CD1-CB 3.45Å; I2376-R2383 HydrophobicContact CD1-CG 4.22Å; I2376-R2383 HydrophobicContact CG1-CB 4.08Å
2377	P	47.2	Very low	58.7	Low	71 Å²	71	57.9 Å²	57.9	46%	0.461	32%	0.316	S	S	.	.	G	3₁₀ helix	trans	-67.7	-30.2	178.9	-11.3	23.5	0	0	0	113.1	V2345 I2379	V2345-P2377 HydrophobicContact CB-CB 4.35Å; V2345-P2377 HydrophobicContact CB-CG 4.19Å; V2345-P2377 HydrophobicContact CG2-CB 4.5Å; P2377-I2379 PolarHBondContact O-N 3.06Å
2378	E	46.9	Very low	58.7	Low	169 Å²	169	63.5 Å²	63.5	79%	0.79	35%	0.352	S	S	*	.	G	3₁₀ helix	trans	-74.6	-5.9	-171.1	-62.7	122.8	167.1	0	0	114.9	I2376	I2376-E2378 VanDerWaalsContact C-N 3.31Å; I2376-E2378 HydrophobicContact CG2-CB 4.13Å; I2376-E2378 WeakPolarHBondContact CG2-OE2 3.1Å; I2376-E2378 PolarHBondContact O-N 2.91Å
2379	I	45.3	Very low	58.5	Low	123 Å²	123	64.5 Å²	64.5	63%	0.631	37%	0.367	S	S	*	.	G	3₁₀ helix	trans	-145.9	15.6	-178.7	58	173.2	0	0	0	113.7	I2376 P2377 G2381	I2376-I2379 HydrophobicContact CB-CD1 4.4Å; I2376-I2379 HydrophobicContact CB-CG1 3.96Å; I2376-I2379 HydrophobicContact CD1-CD1 4.2Å; I2376-I2379 HydrophobicContact CG2-CD1 4.35Å; I2376-I2379 HydrophobicContact CG2-CG1 3.8Å; P2377-I2379 PolarHBondContact O-N 3.06Å; I2379-G2381 VanDerWaalsContact C-N 3.29Å; I2379-G2381 PolarHBondContact O-N 2.66Å; I2379-G2381 VanDerWaalsContact O-N 3.15Å
2380	E	46.9	Very low	58.8	Low	133 Å²	133	63.9 Å²	63.9	62%	0.621	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	44.6	43.5	-178	-58.9	-156.6	140	0	0	115.7	I2357 Y2360	I2357-E2380 HydrophobicContact CG2-CG 4.44Å; Y2360-E2380 WeakPolarHBondContact CE2-O 3.34Å; Y2360-E2380 PolarHBondContact OH-O 3.47Å
2381	G	49.4	Very low	59.1	Low	14 Å²	14	64.7 Å²	64.7	14%	0.144	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.3	-177.4	-177.8	0	0	0	0	0	113.5	I2376 I2379	I2376-G2381 PolarHBondContact N-O 3.03Å; I2379-G2381 VanDerWaalsContact C-N 3.29Å; I2379-G2381 PolarHBondContact O-N 2.66Å; I2379-G2381 VanDerWaalsContact O-N 3.15Å
2382	A	53.7	Low	59.2	Low	18 Å²	18	67 Å²	67	15%	0.149	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	155.4	179.5	0	0	0	0	0	114.6	Y2360 F2366 L2374	Y2360-A2382 HydrophobicContact CG-CB 4.34Å; F2366-A2382 HydrophobicContact CD1-CB 3.78Å; F2366-A2382 HydrophobicContact CE1-CB 3.62Å; F2366-A2382 VanDerWaalsContact CE1-O 3.3Å; F2366-A2382 WeakPolarHBondContact CE1-O 3.27Å; F2366-A2382 HydrophobicContact CE2-CB 4.43Å; F2366-A2382 HydrophobicContact CG-CB 4.28Å; F2366-A2382 HydrophobicContact CZ-CB 3.97Å; L2374-A2382 WeakPolarHBondContact O-CA 3.27Å
2383	R	63.2	Low	59.5	Low	114 Å²	114	63.7 Å²	63.7	43%	0.43	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	146.4	175.6	175.5	169.6	164.1	-96.6	-10.1	111.2	L2374 I2376 E2385	L2374-R2383 PolarHBondContact N-O 2.53Å; L2374-R2383 PolarHBondContact O-N 2.46Å; I2376-R2383 HydrophobicContact CD1-CB 3.45Å; I2376-R2383 VanDerWaalsContact CD1-CB 3.45Å; I2376-R2383 HydrophobicContact CD1-CG 4.22Å; I2376-R2383 HydrophobicContact CG1-CB 4.08Å; R2383-E2385 IonicContact CZ-OE1 3.86Å; R2383-E2385 IonicContact NH1-OE1 3.19Å; R2383-E2385 PolarHBondContact NH1-OE1 2.9Å; R2383-E2385 IonicContact NH2-OE1 3.81Å; R2383-E2385 PolarHBondContact NH2-OE1 3.11Å
2384	C	66.9	Low	59.7	Low	9 Å²	9	66.5 Å²	66.5	6%	0.061	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	113	-178	-50.2	0	0	0	0	110.9	C2367 T2371 T2372 R2394 Y2407	C2367-C2384 WeakPolarHBondContact CA-SG 3.43Å; C2367-C2384 HydrophobicContact CB-CB 3.54Å; C2367-C2384 WeakPolarHBondContact CB-SG 3.28Å; C2367-C2384 WeakPolarHBondContact SG-CA 3.43Å; C2367-C2384 WeakPolarHBondContact SG-CB 3.43Å; C2367-C2384 CovalentContact SG-SG 2.03Å; C2367-C2384 PolarHBondContact SG-SG 2.76Å; T2371-C2384 HydrophobicContact CG2-CB 3.96Å; T2372-C2384 WeakPolarHBondContact O-CA 3.43Å; C2384-R2394 PolarHBondContact O-NH1 2.97Å; C2384-R2394 PolarHBondContact O-NH2 3.37Å; C2384-Y2407 HydrophobicContact CB-CD2 4.44Å
2385	E	63.6	Low	59.5	Low	78 Å²	78	65.5 Å²	65.5	36%	0.364	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	146.3	173.3	-68	-155.2	138.9	0	0	111.2	T2371 T2372 L2374 R2383 N2387	T2371-E2385 CarbonylContact C-O 3.2Å; T2371-E2385 WeakPolarHBondContact CA-O 3.38Å; T2371-E2385 VanDerWaalsContact CB-O 3.27Å; T2371-E2385 WeakPolarHBondContact CB-O 3.1Å; T2372-E2385 PolarHBondContact N-O 3.23Å; T2372-E2385 PolarHBondContact O-N 3.45Å; T2372-E2385 PolarHBondContact OG1-O 2.72Å; L2374-E2385 HydrophobicContact CD1-CB 4.47Å; L2374-E2385 HydrophobicContact CD1-CG 4.14Å; R2383-E2385 IonicContact CZ-OE1 3.86Å; R2383-E2385 IonicContact NH1-OE1 3.19Å; R2383-E2385 PolarHBondContact NH1-OE1 2.9Å; R2383-E2385 IonicContact NH2-OE1 3.81Å; R2383-E2385 PolarHBondContact NH2-OE1 3.11Å; E2385-N2387 PolarHBondContact O-N 2.69Å
2386	C	69.3	Low	59.5	Low	32 Å²	32	64.4 Å²	64.4	22%	0.216	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65	136.2	-177.4	-61.6	0	0	0	0	113.1	F2390 D2392 C2408	C2386-F2390 HydrophobicContact CB-CB 4.39Å; C2386-F2390 WeakPolarHBondContact CB-O 3.4Å; C2386-D2392 WeakPolarHBondContact SG-CA 3.4Å; C2386-D2392 VanDerWaalsContact SG-CB 3.55Å; C2386-D2392 PolarHBondContact SG-N 3.11Å; C2386-C2408 WeakPolarHBondContact CA-SG 3.37Å; C2386-C2408 HydrophobicContact CB-CB 3.73Å; C2386-C2408 WeakPolarHBondContact CB-SG 3.49Å; C2386-C2408 WeakPolarHBondContact SG-CB 3.23Å; C2386-C2408 CovalentContact SG-SG 2.02Å; C2386-C2408 PolarHBondContact SG-SG 3.48Å
2387	N	62	Low	59.3	Low	47 Å²	47	67.2 Å²	67.2	25%	0.251	38%	0.378	S	S	.	.	P	Polyproline II helix	trans	-61.3	143.5	170.9	-73.1	-21.1	0	0	0	110.1	N2370 T2371 T2372 E2385 G2389 F2390	N2370-N2387 WeakPolarHBondContact CA-ND2 3.46Å; N2370-N2387 WeakPolarHBondContact O-CB 3.1Å; N2370-N2387 PolarHBondContact O-N 2.92Å; T2371-N2387 PolarHBondContact O-ND2 2.91Å; T2371-N2387 PolarHBondContact O-OD1 3.43Å; T2372-N2387 WeakPolarHBondContact CG2-OD1 3Å; T2372-N2387 PolarHBondContact N-OD1 2.03Å; T2372-N2387 PolarHBondContact OG1-OD1 3.47Å; E2385-N2387 PolarHBondContact O-N 2.69Å; N2387-G2389 PolarHBondContact O-N 3.06Å; N2387-F2390 HydrophobicContact CB-CD2 4.2Å; N2387-F2390 WeakPolarHBondContact O-CB 3.34Å; N2387-F2390 WeakPolarHBondContact O-CD2 3.31Å; N2387-F2390 PolarHBondContact O-N 2.86Å
2388	P	55.7	Low	59.8	Low	126 Å²	126	67.1 Å²	67.1	82%	0.818	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.6	123.7	-179.3	-29.4	36	0	0	0	113.3
2389	G	54	Low	60.4	Low	43 Å²	43	61.4 Å²	61.4	44%	0.443	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	102.1	0.7	-174.8	0	0	0	0	0	115	N2387 T2411	N2387-G2389 PolarHBondContact O-N 3.06Å; G2389-T2411 PolarHBondContact O-N 2.59Å; G2389-T2411 PolarHBondContact O-OG1 3.03Å
2390	F	66.2	Low	61	Low	58 Å²	58	62.7 Å²	62.7	25%	0.254	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	136.1	175.6	-60.9	-104	0	0	0	109.9	N2370 C2386 N2387 C2408 L2409 A2410	N2370-F2390 HydrophobicContact CB-CB 4.2Å; N2370-F2390 HydrophobicContact CB-CD1 3.33Å; N2370-F2390 HydrophobicContact CB-CD2 3.99Å; N2370-F2390 HydrophobicContact CB-CE1 3.63Å; N2370-F2390 HydrophobicContact CB-CE2 4.23Å; N2370-F2390 HydrophobicContact CB-CG 3.57Å; N2370-F2390 HydrophobicContact CB-CZ 4.08Å; N2370-F2390 VanDerWaalsContact ND2-CE1 3.28Å; N2370-F2390 WeakPolarHBondContact ND2-CE1 2.98Å; N2370-F2390 VanDerWaalsContact OD1-CE1 3.32Å; N2370-F2390 WeakPolarHBondContact OD1-CE1 3.2Å; N2370-F2390 WeakPolarHBondContact OD1-CZ 3.04Å; C2386-F2390 HydrophobicContact CB-CB 4.39Å; C2386-F2390 WeakPolarHBondContact CB-O 3.4Å; N2387-F2390 HydrophobicContact CB-CD2 4.2Å; N2387-F2390 WeakPolarHBondContact O-CB 3.34Å; N2387-F2390 WeakPolarHBondContact O-CD2 3.31Å; N2387-F2390 PolarHBondContact O-N 2.86Å; F2390-C2408 HydrophobicContact CB-CB 3.93Å; F2390-L2409 CarbonylContact C-O 2.75Å; F2390-L2409 WeakPolarHBondContact CA-O 3.04Å; F2390-L2409 WeakPolarHBondContact CB-O 3.03Å; F2390-L2409 VanDerWaalsContact CD1-C 3.46Å; F2390-A2410 VanDerWaalsContact CD1-CA 3.4Å; F2390-A2410 HydrophobicContact CD1-CB 3.83Å; F2390-A2410 HydrophobicContact CE1-CB 3.63Å; F2390-A2410 HydrophobicContact CZ-CB 4.27Å
2391	L	68.4	Low	61.4	Low	58 Å²	58	64.7 Å²	64.7	30%	0.304	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	139	178.7	-163.9	75.6	0	0	0	109.7	I2393 C2408 L2409 T2411 V2414 E2416 L2421	L2391-I2393 PolarHBondContact O-N 2.91Å; L2391-C2408 WeakPolarHBondContact O-CA 2.85Å; L2391-L2409 PolarHBondContact N-O 2.79Å; L2391-L2409 PolarHBondContact O-N 2.75Å; L2391-T2411 HydrophobicContact CB-CG2 4.09Å; L2391-V2414 HydrophobicContact CB-CG2 4.25Å; L2391-V2414 HydrophobicContact CD2-CG1 4.12Å; L2391-E2416 HydrophobicContact CD2-CG 3.61Å; L2391-L2421 HydrophobicContact CD2-CD1 4.39Å
2392	D	69.3	Low	61.8	Low	62 Å²	62	66.7 Å²	66.7	33%	0.332	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	111.9	173	-163.7	-26.1	0	0	0	110	C2386 R2394	C2386-D2392 WeakPolarHBondContact SG-CA 3.4Å; C2386-D2392 VanDerWaalsContact SG-CB 3.55Å; C2386-D2392 PolarHBondContact SG-N 3.11Å; D2392-R2394 WeakPolarHBondContact OD1-CB 3.47Å; D2392-R2394 WeakPolarHBondContact OD1-CG 3Å; D2392-R2394 IonicContact OD1-CZ 3.92Å; D2392-R2394 PolarHBondContact OD1-N 3.19Å; D2392-R2394 IonicContact OD1-NE 2.78Å; D2392-R2394 PolarHBondContact OD1-NE 2.82Å; D2392-R2394 IonicContact OD1-NH2 3.01Å; D2392-R2394 IonicContact OD2-CZ 3.99Å; D2392-R2394 IonicContact OD2-NE 2.93Å; D2392-R2394 PolarHBondContact OD2-NE 3.46Å; D2392-R2394 IonicContact OD2-NH2 3.91Å; D2392-R2394 PolarHBondContact OD2-NH2 3.15Å
2393	I	70.2	Confident	61.7	Low	0 Å²	0	69.2 Å²	69.2	0%	0	38%	0.377	C	S	.	.			trans	-91.9	1.1	-179.8	74.4	156.1	0	0	0	112.9	L2391 G2395 S2396 V2399 F2402 T2406 Y2407 L2409 V2414 L2421	L2391-I2393 PolarHBondContact O-N 2.91Å; I2393-G2395 PolarHBondContact O-N 3.36Å; I2393-G2395 VanDerWaalsContact O-N 3.16Å; I2393-S2396 WeakPolarHBondContact O-CB 3.14Å; I2393-S2396 PolarHBondContact O-N 2.72Å; I2393-V2399 HydrophobicContact CD1-CG2 4.12Å; I2393-V2399 HydrophobicContact CG1-CG2 4.15Å; I2393-V2399 WeakPolarHBondContact O-CG2 3.4Å; I2393-F2402 HydrophobicContact CD1-CB 4.28Å; I2393-F2402 HydrophobicContact CD1-CD2 3.33Å; I2393-F2402 HydrophobicContact CD1-CE2 3.76Å; I2393-F2402 HydrophobicContact CD1-CG 3.85Å; I2393-T2406 HydrophobicContact CD1-CG2 4.49Å; I2393-T2406 WeakPolarHBondContact CD1-O 3.35Å; I2393-T2406 WeakPolarHBondContact CG1-O 3.02Å; I2393-Y2407 WeakPolarHBondContact CG1-O 3.46Å; I2393-Y2407 PolarHBondContact N-O 2.74Å; I2393-L2409 HydrophobicContact CD1-CD1 3.86Å; I2393-L2409 HydrophobicContact CD1-CG 4.12Å; I2393-L2409 HydrophobicContact CG2-CB 4.05Å; I2393-L2409 HydrophobicContact CG2-CD1 4.2Å; I2393-L2409 HydrophobicContact CG2-CG 4.26Å; I2393-V2414 HydrophobicContact CG2-CG2 4.16Å; I2393-L2421 HydrophobicContact CB-CD1 3.76Å; I2393-L2421 HydrophobicContact CG2-CD1 3.58Å
2394	R	70.4	Confident	61	Low	92 Å²	92	69.1 Å²	69.1	35%	0.347	39%	0.391	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-19.5	178.6	-66.4	174	-75.6	-157.3	1.4	113.3	C2384 D2392 S2396 Y2407	C2384-R2394 PolarHBondContact O-NH1 2.97Å; C2384-R2394 PolarHBondContact O-NH2 3.37Å; D2392-R2394 WeakPolarHBondContact OD1-CB 3.47Å; D2392-R2394 WeakPolarHBondContact OD1-CG 3Å; D2392-R2394 IonicContact OD1-CZ 3.92Å; D2392-R2394 PolarHBondContact OD1-N 3.19Å; D2392-R2394 IonicContact OD1-NE 2.78Å; D2392-R2394 PolarHBondContact OD1-NE 2.82Å; D2392-R2394 IonicContact OD1-NH2 3.01Å; D2392-R2394 IonicContact OD2-CZ 3.99Å; D2392-R2394 IonicContact OD2-NE 2.93Å; D2392-R2394 PolarHBondContact OD2-NE 3.46Å; D2392-R2394 IonicContact OD2-NH2 3.91Å; D2392-R2394 PolarHBondContact OD2-NH2 3.15Å; R2394-S2396 VanDerWaalsContact C-N 3.25Å; R2394-S2396 PolarHBondContact O-N 2.94Å; R2394-Y2407 HydrophobicContact CG-CD1 3.72Å; R2394-Y2407 HydrophobicContact CG-CG 4.02Å
2395	G	61	Low	60.3	Low	64 Å²	64	71.8 Å²	71.8	66%	0.66	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.4	8.8	169	0	0	0	0	0	115.4	I2393	I2393-G2395 PolarHBondContact O-N 3.36Å; I2393-G2395 VanDerWaalsContact O-N 3.16Å
2396	S	57.9	Low	60.4	Low	11 Å²	11	69.5 Å²	69.5	8%	0.077	40%	0.396	C	S	.	.			trans	-84.2	123.9	-173.8	176	0	0	0	0	112.2	I2393 R2394 F2398 V2399 L2419	I2393-S2396 WeakPolarHBondContact O-CB 3.14Å; I2393-S2396 PolarHBondContact O-N 2.72Å; R2394-S2396 VanDerWaalsContact C-N 3.25Å; R2394-S2396 PolarHBondContact O-N 2.94Å; S2396-F2398 PolarHBondContact O-N 2.67Å; S2396-F2398 VanDerWaalsContact OG-C 3.28Å; S2396-F2398 WeakPolarHBondContact OG-CA 3.26Å; S2396-F2398 PolarHBondContact OG-N 3.27Å; S2396-V2399 PolarHBondContact O-N 3.1Å; S2396-V2399 VanDerWaalsContact O-N 3.14Å; S2396-V2399 PolarHBondContact OG-N 2.94Å; S2396-L2419 PolarHBondContact OG-O 3.22Å
2397	P	57	Low	60.3	Low	90 Å²	90	71.8 Å²	71.8	58%	0.584	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.2	7.5	165.5	30.6	-37	0	0	0	113.7	L2419	P2397-L2419 WeakPolarHBondContact CD-O 3.37Å
2398	F	57.9	Low	60.5	Low	68 Å²	68	69.6 Å²	69.6	30%	0.298	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	-129.2	23.9	171.8	-60.1	-85.1	0	0	0	112.3	S2396 D2400 R2401 A2418 L2419	S2396-F2398 PolarHBondContact O-N 2.67Å; S2396-F2398 VanDerWaalsContact OG-C 3.28Å; S2396-F2398 WeakPolarHBondContact OG-CA 3.26Å; S2396-F2398 PolarHBondContact OG-N 3.27Å; F2398-D2400 PolarHBondContact O-N 2.97Å; F2398-R2401 HydrophobicContact CB-CG 4.48Å; F2398-R2401 VanDerWaalsContact CD1-NH1 3.3Å; F2398-R2401 WeakPolarHBondContact O-CB 3.24Å; F2398-R2401 PolarHBondContact O-N 2.84Å; F2398-A2418 WeakPolarHBondContact CD2-O 3.29Å; F2398-L2419 HydrophobicContact CB-CD2 4.17Å; F2398-L2419 VanDerWaalsContact CD2-C 3.4Å
2399	V	61	Low	61.3	Low	49 Å²	49	65 Å²	65	30%	0.297	36%	0.357	S	S	.	.	G	3₁₀ helix	trans	-58.2	-33.9	178.6	98.2	0	0	0	0	111.4	I2393 S2396 R2401 F2402	I2393-V2399 HydrophobicContact CD1-CG2 4.12Å; I2393-V2399 HydrophobicContact CG1-CG2 4.15Å; I2393-V2399 WeakPolarHBondContact O-CG2 3.4Å; S2396-V2399 PolarHBondContact O-N 3.1Å; S2396-V2399 VanDerWaalsContact O-N 3.14Å; S2396-V2399 PolarHBondContact OG-N 2.94Å; V2399-R2401 PolarHBondContact O-N 2.84Å; V2399-F2402 PolarHBondContact O-N 2.04Å
2400	D	56.1	Low	61.7	Low	151 Å²	151	63.4 Å²	63.4	81%	0.807	34%	0.34	S	S	*	.	G	3₁₀ helix	trans	-58.7	-9.7	174.6	-43.6	-23.5	0	0	0	114.8	F2398	F2398-D2400 PolarHBondContact O-N 2.97Å
2401	R	56.3	Low	61.4	Low	175 Å²	175	62.3 Å²	62.3	66%	0.66	34%	0.338	S	S	*	.	G	3₁₀ helix	trans	-89.9	-5.9	172.8	-65.8	-173.2	174.9	161.5	-0.2	113.5	F2398 V2399	F2398-R2401 HydrophobicContact CB-CG 4.48Å; F2398-R2401 VanDerWaalsContact CD1-NH1 3.3Å; F2398-R2401 WeakPolarHBondContact O-CB 3.24Å; F2398-R2401 PolarHBondContact O-N 2.84Å; V2399-R2401 PolarHBondContact O-N 2.84Å
2402	F	56.9	Low	60.9	Low	55 Å²	55	64.8 Å²	64.8	24%	0.241	35%	0.346	C	S	.	.	S	Bend	trans	-109.2	157.7	173.3	-62.3	-71.9	0	0	0	110.9	I2393 V2399 T2406 L2409 L2419	I2393-F2402 HydrophobicContact CD1-CB 4.28Å; I2393-F2402 HydrophobicContact CD1-CD2 3.33Å; I2393-F2402 HydrophobicContact CD1-CE2 3.76Å; I2393-F2402 HydrophobicContact CD1-CG 3.85Å; V2399-F2402 PolarHBondContact O-N 2.04Å; F2402-T2406 HydrophobicContact CB-CG2 4.31Å; F2402-L2409 HydrophobicContact CD1-CD1 4.04Å; F2402-L2409 HydrophobicContact CD2-CD1 4.44Å; F2402-L2409 HydrophobicContact CE1-CD1 3.54Å; F2402-L2409 HydrophobicContact CE2-CD1 3.94Å; F2402-L2409 HydrophobicContact CG-CD1 4.46Å; F2402-L2409 HydrophobicContact CZ-CD1 3.48Å; F2402-L2409 VanDerWaalsContact CZ-CD1 3.48Å; F2402-L2419 HydrophobicContact CE2-CD1 3.61Å; F2402-L2419 HydrophobicContact CE2-CD2 3.42Å; F2402-L2419 VanDerWaalsContact CE2-CD2 3.42Å; F2402-L2419 HydrophobicContact CE2-CG 4.08Å; F2402-L2419 HydrophobicContact CZ-CD1 3.56Å; F2402-L2419 HydrophobicContact CZ-CD2 3.62Å; F2402-L2419 HydrophobicContact CZ-CG 4.19Å
2403	P	52.1	Low	60.3	Low	71 Å²	71	67.4 Å²	67.4	46%	0.461	36%	0.36	S	S	.	.			trans	-55.5	141.6	167.7	-22.2	32.5	0	0	0	110.6	D2405 T2406	P2403-D2405 PolarHBondContact O-N 3.45Å; P2403-D2405 VanDerWaalsContact O-N 3.08Å; P2403-T2406 WeakPolarHBondContact CD-OG1 3.17Å; P2403-T2406 WeakPolarHBondContact O-CB 3.42Å; P2403-T2406 PolarHBondContact O-N 2.8Å; P2403-T2406 PolarHBondContact O-OG1 3.43Å
2404	P	49.3	Very low	59.9	Low	112 Å²	112	67.5 Å²	67.5	73%	0.727	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	-31	-171	20.6	-32.8	0	0	0	113.7	T2406 Y2407	P2404-T2406 PolarHBondContact O-N 3.35Å; P2404-Y2407 WeakPolarHBondContact O-CE1 3.21Å
2405	D	52.6	Low	59.9	Low	66 Å²	66	66.5 Å²	66.5	35%	0.353	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.2	38.1	174	50.2	-66.6	0	0	0	113.5	K1139 P2368 P2403	K1139-D2405 WeakPolarHBondContact CE-OD2 2.89Å; K1139-D2405 IonicContact NZ-OD1 2.73Å; K1139-D2405 PolarHBondContact NZ-OD1 3.4Å; K1139-D2405 IonicContact NZ-OD2 2.89Å; K1139-D2405 PolarHBondContact NZ-OD2 2.78Å; P2368-D2405 HydrophobicContact CB-CB 4.21Å; P2368-D2405 WeakPolarHBondContact CB-O 3.25Å; P2403-D2405 PolarHBondContact O-N 3.45Å; P2403-D2405 VanDerWaalsContact O-N 3.08Å
2406	T	64.4	Low	60.4	Low	29 Å²	29	63.6 Å²	63.6	18%	0.178	33%	0.332	C	S	.	.			trans	-120.6	68.2	175.8	-43	0	0	0	0	111.1	I2393 F2402 P2403 P2404 L2409	I2393-T2406 HydrophobicContact CD1-CG2 4.49Å; I2393-T2406 WeakPolarHBondContact CD1-O 3.35Å; I2393-T2406 WeakPolarHBondContact CG1-O 3.02Å; F2402-T2406 HydrophobicContact CB-CG2 4.31Å; P2403-T2406 WeakPolarHBondContact CD-OG1 3.17Å; P2403-T2406 WeakPolarHBondContact O-CB 3.42Å; P2403-T2406 PolarHBondContact O-N 2.8Å; P2403-T2406 PolarHBondContact O-OG1 3.43Å; P2404-T2406 PolarHBondContact O-N 3.35Å; T2406-L2409 HydrophobicContact CG2-CD2 3.7Å; T2406-L2409 HydrophobicContact CG2-CG 4Å
2407	Y	67.6	Low	61.2	Low	80 Å²	80	64.4 Å²	64.4	31%	0.314	34%	0.337	S	S	.	.			trans	-76	-26.2	-179.2	-55	-30.8	0	0	0	113.9	P2368 C2384 I2393 R2394 P2404	P2368-Y2407 HydrophobicContact CG-CD2 3.33Å; P2368-Y2407 HydrophobicContact CG-CE2 3.64Å; P2368-Y2407 HydrophobicContact CG-CG 3.97Å; C2384-Y2407 HydrophobicContact CB-CD2 4.44Å; I2393-Y2407 WeakPolarHBondContact CG1-O 3.46Å; I2393-Y2407 PolarHBondContact N-O 2.74Å; R2394-Y2407 HydrophobicContact CG-CD1 3.72Å; R2394-Y2407 HydrophobicContact CG-CG 4.02Å; P2404-Y2407 WeakPolarHBondContact O-CE1 3.21Å
2408	C	67.1	Low	61.7	Low	1 Å²	1	62.4 Å²	62.4	1%	0.007	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	111.5	-170.7	-57.8	0	0	0	0	112	N2370 T2371 C2386 F2390 L2391	N2370-C2408 HydrophobicContact CB-CB 4.22Å; N2370-C2408 PolarHBondContact ND2-O 2.71Å; N2370-C2408 WeakPolarHBondContact O-CB 3.27Å; T2371-C2408 HydrophobicContact CG2-CB 4.17Å; T2371-C2408 WeakPolarHBondContact CG2-SG 3.15Å; C2386-C2408 WeakPolarHBondContact CA-SG 3.37Å; C2386-C2408 HydrophobicContact CB-CB 3.73Å; C2386-C2408 WeakPolarHBondContact CB-SG 3.49Å; C2386-C2408 WeakPolarHBondContact SG-CB 3.23Å; C2386-C2408 CovalentContact SG-SG 2.02Å; C2386-C2408 PolarHBondContact SG-SG 3.48Å; F2390-C2408 HydrophobicContact CB-CB 3.93Å; L2391-C2408 WeakPolarHBondContact O-CA 2.85Å
2409	L	70.8	Confident	62.1	Low	30 Å²	30	59.8 Å²	59.8	16%	0.157	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	149.7	175.8	-76.1	178.8	0	0	0	109.9	F2390 L2391 I2393 F2402 T2406 V2414 L2419	F2390-L2409 CarbonylContact C-O 2.75Å; F2390-L2409 WeakPolarHBondContact CA-O 3.04Å; F2390-L2409 WeakPolarHBondContact CB-O 3.03Å; F2390-L2409 VanDerWaalsContact CD1-C 3.46Å; L2391-L2409 PolarHBondContact N-O 2.79Å; L2391-L2409 PolarHBondContact O-N 2.75Å; I2393-L2409 HydrophobicContact CD1-CD1 3.86Å; I2393-L2409 HydrophobicContact CD1-CG 4.12Å; I2393-L2409 HydrophobicContact CG2-CB 4.05Å; I2393-L2409 HydrophobicContact CG2-CD1 4.2Å; I2393-L2409 HydrophobicContact CG2-CG 4.26Å; F2402-L2409 HydrophobicContact CD1-CD1 4.04Å; F2402-L2409 HydrophobicContact CD2-CD1 4.44Å; F2402-L2409 HydrophobicContact CE1-CD1 3.54Å; F2402-L2409 HydrophobicContact CE2-CD1 3.94Å; F2402-L2409 HydrophobicContact CG-CD1 4.46Å; F2402-L2409 HydrophobicContact CZ-CD1 3.48Å; F2402-L2409 VanDerWaalsContact CZ-CD1 3.48Å; T2406-L2409 HydrophobicContact CG2-CD2 3.7Å; T2406-L2409 HydrophobicContact CG2-CG 4Å; L2409-V2414 HydrophobicContact CB-CG2 3.26Å; L2409-V2414 HydrophobicContact CD1-CG2 4.28Å; L2409-V2414 HydrophobicContact CG-CG2 4.41Å; L2409-L2419 HydrophobicContact CD1-CD1 4.45Å
2410	A	62.4	Low	62.4	Low	10 Å²	10	58.7 Å²	58.7	8%	0.083	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.2	140.5	-177.5	0	0	0	0	0	110	F2390 K2412 D2413 V2414	F2390-A2410 VanDerWaalsContact CD1-CA 3.4Å; F2390-A2410 HydrophobicContact CD1-CB 3.83Å; F2390-A2410 HydrophobicContact CE1-CB 3.63Å; F2390-A2410 HydrophobicContact CZ-CB 4.27Å; A2410-K2412 HydrophobicContact CB-CG 4.24Å; A2410-K2412 PolarHBondContact O-N 2.79Å; A2410-D2413 HydrophobicContact CB-CB 4.36Å; A2410-D2413 WeakPolarHBondContact CB-OD2 3.35Å; A2410-D2413 PolarHBondContact O-N 3.48Å; A2410-V2414 WeakPolarHBondContact O-CG2 3.35Å; A2410-V2414 PolarHBondContact O-N 3.24Å
2411	T	60.6	Low	62.9	Low	34 Å²	34	52.6 Å²	52.6	21%	0.209	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.1	4.8	-177.7	50.8	0	0	0	0	115.9	G2389 L2391 E2435 G2436	G2389-T2411 PolarHBondContact O-N 2.59Å; G2389-T2411 PolarHBondContact O-OG1 3.03Å; L2391-T2411 HydrophobicContact CB-CG2 4.09Å; T2411-E2435 WeakPolarHBondContact O-CA 3.33Å; T2411-G2436 PolarHBondContact O-N 2.64Å
2412	K	58.5	Low	63.5	Low	110 Å²	110	45.6 Å²	45.6	48%	0.478	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-123.4	-10.6	178.6	58.8	-170.7	107.2	-63.7	0	113.8	A2410 D2434 E2435	A2410-K2412 HydrophobicContact CB-CG 4.24Å; A2410-K2412 PolarHBondContact O-N 2.79Å; K2412-D2434 WeakPolarHBondContact CA-O 3.19Å; K2412-D2434 WeakPolarHBondContact CB-O 3.36Å; K2412-E2435 HydrophobicContact CB-CG 4.47Å; K2412-E2435 IonicContact NZ-OE1 3.96Å; K2412-E2435 PolarHBondContact NZ-OE1 2.86Å
2413	D	56.6	Low	63.9	Low	118 Å²	118	47.3 Å²	47.3	63%	0.631	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.6	-14.5	171	-61.3	-49.6	0	0	0	111.6	A2410 D2415	A2410-D2413 HydrophobicContact CB-CB 4.36Å; A2410-D2413 WeakPolarHBondContact CB-OD2 3.35Å; A2410-D2413 PolarHBondContact O-N 3.48Å; D2413-D2415 PolarHBondContact O-N 2.85Å
2414	V	62.3	Low	64.8	Low	1 Å²	1	44.9 Å²	44.9	1%	0.006	26%	0.256	C	S	.	.			trans	-74.9	115.5	167.8	-179.9	0	0	0	0	109	L2391 I2393 L2409 A2410 E2416 L2419 L2421 N2432	L2391-V2414 HydrophobicContact CB-CG2 4.25Å; L2391-V2414 HydrophobicContact CD2-CG1 4.12Å; I2393-V2414 HydrophobicContact CG2-CG2 4.16Å; L2409-V2414 HydrophobicContact CB-CG2 3.26Å; L2409-V2414 HydrophobicContact CD1-CG2 4.28Å; L2409-V2414 HydrophobicContact CG-CG2 4.41Å; A2410-V2414 WeakPolarHBondContact O-CG2 3.35Å; A2410-V2414 PolarHBondContact O-N 3.24Å; V2414-E2416 HydrophobicContact CG1-CB 4.2Å; V2414-E2416 HydrophobicContact CG1-CG 3.47Å; V2414-E2416 VanDerWaalsContact CG1-CG 3.47Å; V2414-E2416 PolarHBondContact O-N 3.32Å; V2414-L2419 HydrophobicContact CG1-CD1 4.1Å; V2414-L2421 HydrophobicContact CG1-CD1 4.02Å; V2414-N2432 PolarHBondContact O-ND2 2.91Å
2415	D	70.5	Confident	65.6	Low	71 Å²	71	41 Å²	41	38%	0.38	23%	0.231	S	C	.	.			trans	-87.7	83.8	159.3	-172.3	-36.1	0	0	0	107.5	D2413 C2417 A2418 L2419 N2432	D2413-D2415 PolarHBondContact O-N 2.85Å; D2415-C2417 PolarHBondContact O-N 2.89Å; D2415-C2417 VanDerWaalsContact OD1-CB 3.28Å; D2415-C2417 WeakPolarHBondContact OD1-CB 3.09Å; D2415-C2417 PolarHBondContact OD1-N 3.31Å; D2415-A2418 HydrophobicContact CB-CB 3.91Å; D2415-A2418 VanDerWaalsContact CG-CB 3.46Å; D2415-A2418 PolarHBondContact O-N 3.46Å; D2415-A2418 VanDerWaalsContact O-N 3.1Å; D2415-A2418 WeakPolarHBondContact OD1-CB 3.28Å; D2415-A2418 PolarHBondContact OD1-N 3.3Å; D2415-L2419 VanDerWaalsContact O-CB 3.29Å; D2415-L2419 WeakPolarHBondContact O-CB 3.4Å; D2415-L2419 WeakPolarHBondContact O-CG 3.41Å; D2415-L2419 PolarHBondContact O-N 3.09Å; D2415-N2432 VanDerWaalsContact CA-OD1 3.24Å; D2415-N2432 WeakPolarHBondContact CA-OD1 3.45Å; D2415-N2432 PolarHBondContact OD1-OD1 3.37Å
2416	E	71.8	Confident	66.1	Low	4 Å²	4	43.2 Å²	43.2	2%	0.019	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.2	-31.8	-174.5	-67	87.1	-177.8	0	0	110.8	L2391 V2414 L2419 G2420 L2421 T2422 N2432 G2436 Y2437	L2391-E2416 HydrophobicContact CD2-CG 3.61Å; V2414-E2416 HydrophobicContact CG1-CB 4.2Å; V2414-E2416 HydrophobicContact CG1-CG 3.47Å; V2414-E2416 VanDerWaalsContact CG1-CG 3.47Å; V2414-E2416 PolarHBondContact O-N 3.32Å; E2416-L2419 CarbonylContact O-C 2.86Å; E2416-L2419 PolarHBondContact O-N 2.83Å; E2416-G2420 CarbonylContact O-C 3.05Å; E2416-G2420 WeakPolarHBondContact O-CA 3.26Å; E2416-G2420 PolarHBondContact O-N 3.25Å; E2416-L2421 HydrophobicContact CB-CB 3.97Å; E2416-L2421 HydrophobicContact CG-CB 4.11Å; E2416-L2421 PolarHBondContact O-N 2.94Å; E2416-T2422 HydrophobicContact CB-CG2 3.59Å; E2416-T2422 WeakPolarHBondContact O-CG2 3.02Å; E2416-N2432 PolarHBondContact N-OD1 3.28Å; E2416-N2432 PolarHBondContact OE2-ND2 2.81Å; E2416-N2432 PolarHBondContact OE2-OD1 3.17Å; E2416-G2436 VanDerWaalsContact OE2-C 3.31Å; E2416-G2436 WeakPolarHBondContact OE2-CA 3.43Å; E2416-Y2437 HydrophobicContact CB-CD1 3.38Å; E2416-Y2437 HydrophobicContact CB-CE1 3.94Å; E2416-Y2437 HydrophobicContact CB-CG 3.97Å; E2416-Y2437 HydrophobicContact CG-CD1 3.46Å; E2416-Y2437 VanDerWaalsContact CG-CD1 3.46Å; E2416-Y2437 HydrophobicContact CG-CE1 3.86Å; E2416-Y2437 HydrophobicContact CG-CG 4.46Å
2417	C	73.9	Confident	66	Low	27 Å²	27	44.5 Å²	44.5	18%	0.182	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-50.4	176.8	-60.7	0	0	0	0	113.7	D2415 L2419 G2420 C2430 K2431 N2432	D2415-C2417 PolarHBondContact O-N 2.89Å; D2415-C2417 VanDerWaalsContact OD1-CB 3.28Å; D2415-C2417 WeakPolarHBondContact OD1-CB 3.09Å; D2415-C2417 PolarHBondContact OD1-N 3.31Å; C2417-L2419 PolarHBondContact O-N 3.26Å; C2417-G2420 PolarHBondContact O-N 3.3Å; C2417-C2430 WeakPolarHBondContact CA-SG 3.26Å; C2417-C2430 HydrophobicContact CB-CB 3.45Å; C2417-C2430 VanDerWaalsContact CB-CB 3.45Å; C2417-C2430 WeakPolarHBondContact CB-SG 3.31Å; C2417-C2430 WeakPolarHBondContact SG-CB 3.48Å; C2417-C2430 CovalentContact SG-SG 2.01Å; C2417-C2430 PolarHBondContact SG-SG 2.97Å; C2417-K2431 VanDerWaalsContact SG-CA 3.51Å; C2417-K2431 PolarHBondContact SG-N 2.97Å; C2417-K2431 PolarHBondContact SG-O 2.03Å; C2417-K2431 VanDerWaalsContact SG-O 3.42Å; C2417-N2432 PolarHBondContact N-OD1 2.55Å; C2417-N2432 PolarHBondContact SG-N 3.46Å; C2417-N2432 VanDerWaalsContact SG-N 3.37Å
2418	A	66.4	Low	66	Low	49 Å²	49	41.8 Å²	41.8	41%	0.405	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-17.6	176.5	0	0	0	0	0	112.4	F2398 D2415	F2398-A2418 WeakPolarHBondContact CD2-O 3.29Å; D2415-A2418 HydrophobicContact CB-CB 3.91Å; D2415-A2418 VanDerWaalsContact CG-CB 3.46Å; D2415-A2418 PolarHBondContact O-N 3.46Å; D2415-A2418 VanDerWaalsContact O-N 3.1Å; D2415-A2418 WeakPolarHBondContact OD1-CB 3.28Å; D2415-A2418 PolarHBondContact OD1-N 3.3Å
2419	L	68.1	Low	66.3	Low	13 Å²	13	45.5 Å²	45.5	7%	0.068	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.1	4.3	179.3	-57.7	177.7	0	0	0	113.5	S2396 P2397 F2398 F2402 L2409 V2414 D2415 E2416 C2417 L2421	S2396-L2419 PolarHBondContact OG-O 3.22Å; P2397-L2419 WeakPolarHBondContact CD-O 3.37Å; F2398-L2419 HydrophobicContact CB-CD2 4.17Å; F2398-L2419 VanDerWaalsContact CD2-C 3.4Å; F2402-L2419 HydrophobicContact CE2-CD1 3.61Å; F2402-L2419 HydrophobicContact CE2-CD2 3.42Å; F2402-L2419 VanDerWaalsContact CE2-CD2 3.42Å; F2402-L2419 HydrophobicContact CE2-CG 4.08Å; F2402-L2419 HydrophobicContact CZ-CD1 3.56Å; F2402-L2419 HydrophobicContact CZ-CD2 3.62Å; F2402-L2419 HydrophobicContact CZ-CG 4.19Å; L2409-L2419 HydrophobicContact CD1-CD1 4.45Å; V2414-L2419 HydrophobicContact CG1-CD1 4.1Å; D2415-L2419 VanDerWaalsContact O-CB 3.29Å; D2415-L2419 WeakPolarHBondContact O-CB 3.4Å; D2415-L2419 WeakPolarHBondContact O-CG 3.41Å; D2415-L2419 PolarHBondContact O-N 3.09Å; E2416-L2419 CarbonylContact O-C 2.86Å; E2416-L2419 PolarHBondContact O-N 2.83Å; C2417-L2419 PolarHBondContact O-N 3.26Å; L2419-L2421 HydrophobicContact CB-CD1 4.01Å; L2419-L2421 HydrophobicContact CB-CG 4.37Å; L2419-L2421 HydrophobicContact CD1-CD1 4.43Å; L2419-L2421 PolarHBondContact O-N 2.98Å
2420	G	65.7	Low	66.7	Low	25 Å²	25	45.5 Å²	45.5	26%	0.258	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.4	14	177.6	0	0	0	0	0	115.4	E2416 C2417 T2422	E2416-G2420 CarbonylContact O-C 3.05Å; E2416-G2420 WeakPolarHBondContact O-CA 3.26Å; E2416-G2420 PolarHBondContact O-N 3.25Å; C2417-G2420 PolarHBondContact O-N 3.3Å; G2420-T2422 PolarHBondContact O-N 2.95Å
2421	L	67.2	Low	67.1	Low	23 Å²	23	50.8 Å²	50.8	12%	0.12	30%	0.303	C	S	.	.			trans	-74.9	36.1	176	-74.3	162.2	0	0	0	111.7	L2391 I2393 V2414 E2416 L2419 Y2437	L2391-L2421 HydrophobicContact CD2-CD1 4.39Å; I2393-L2421 HydrophobicContact CB-CD1 3.76Å; I2393-L2421 HydrophobicContact CG2-CD1 3.58Å; V2414-L2421 HydrophobicContact CG1-CD1 4.02Å; E2416-L2421 HydrophobicContact CB-CB 3.97Å; E2416-L2421 HydrophobicContact CG-CB 4.11Å; E2416-L2421 PolarHBondContact O-N 2.94Å; L2419-L2421 HydrophobicContact CB-CD1 4.01Å; L2419-L2421 HydrophobicContact CB-CG 4.37Å; L2419-L2421 HydrophobicContact CD1-CD1 4.43Å; L2419-L2421 PolarHBondContact O-N 2.98Å; L2421-Y2437 WeakPolarHBondContact O-CE1 3.1Å; L2421-Y2437 PolarHBondContact O-OH 2.7Å
2422	T	69.7	Low	67.4	Low	29 Å²	29	51.5 Å²	51.5	18%	0.178	31%	0.305	C	S	.	.	S	Bend	trans	-132.2	131.8	-171.8	71.3	0	0	0	0	110.5	E2416 G2420 C2424 Y2437	E2416-T2422 HydrophobicContact CB-CG2 3.59Å; E2416-T2422 WeakPolarHBondContact O-CG2 3.02Å; G2420-T2422 PolarHBondContact O-N 2.95Å; T2422-C2424 WeakPolarHBondContact CB-SG 3.46Å; T2422-C2424 PolarHBondContact O-N 3.42Å; T2422-C2424 VanDerWaalsContact O-N 3.1Å; T2422-C2424 WeakPolarHBondContact OG1-CB 3.09Å; T2422-C2424 PolarHBondContact OG1-SG 3.12Å; T2422-Y2437 HydrophobicContact CG2-CD1 3.76Å; T2422-Y2437 HydrophobicContact CG2-CD2 3.34Å; T2422-Y2437 HydrophobicContact CG2-CE1 3.82Å; T2422-Y2437 HydrophobicContact CG2-CE2 3.44Å; T2422-Y2437 VanDerWaalsContact CG2-CE2 3.44Å; T2422-Y2437 HydrophobicContact CG2-CG 3.49Å; T2422-Y2437 VanDerWaalsContact CG2-CG 3.49Å
2423	N	65.7	Low	67.6	Low	90 Å²	90	51.6 Å²	51.6	48%	0.481	31%	0.308	S	S	.	.			trans	-77.8	33.6	157.8	55.2	-0	0	0	0	111.1	Y2437 R2455	N2423-Y2437 PolarHBondContact OD1-OH 2.76Å; N2423-Y2437 VanDerWaalsContact OD1-OH 3.07Å; N2423-R2455 PolarHBondContact ND2-NH1 2.75Å; N2423-R2455 WeakPolarHBondContact O-CA 3.48Å; N2423-R2455 WeakPolarHBondContact O-CB 3.5Å; N2423-R2455 WeakPolarHBondContact O-CD 3.21Å; N2423-R2455 VanDerWaalsContact O-CG 3.24Å; N2423-R2455 WeakPolarHBondContact O-CG 3.41Å; N2423-R2455 WeakPolarHBondContact OD1-CD 3.47Å; N2423-R2455 PolarHBondContact OD1-NE 2.03Å; N2423-R2455 PolarHBondContact OD1-NH1 3.47Å; N2423-R2455 PolarHBondContact OD1-NH2 2.93Å
2424	C	70	Confident	67.6	Low	20 Å²	20	53.2 Å²	53.2	14%	0.135	32%	0.316	C	S	.	.			trans	-64.6	146.2	160.1	-61.3	0	0	0	0	108.8	T2422 A2428 C2430 C2439	T2422-C2424 WeakPolarHBondContact CB-SG 3.46Å; T2422-C2424 PolarHBondContact O-N 3.42Å; T2422-C2424 VanDerWaalsContact O-N 3.1Å; T2422-C2424 WeakPolarHBondContact OG1-CB 3.09Å; T2422-C2424 PolarHBondContact OG1-SG 3.12Å; C2424-A2428 HydrophobicContact CB-CB 4.19Å; C2424-C2430 HydrophobicContact CB-CB 4.36Å; C2424-C2430 VanDerWaalsContact SG-CB 3.55Å; C2424-C2430 PolarHBondContact SG-SG 2.89Å; C2424-C2439 WeakPolarHBondContact CA-SG 3.26Å; C2424-C2439 HydrophobicContact CB-CB 3.7Å; C2424-C2439 WeakPolarHBondContact CB-SG 3.5Å; C2424-C2439 WeakPolarHBondContact SG-CB 3.45Å; C2424-C2439 CovalentContact SG-SG 2.01Å; C2424-C2439 PolarHBondContact SG-SG 2.99Å
2425	S	66.5	Low	67.1	Low	30 Å²	30	60 Å²	60	21%	0.21	35%	0.348	C	S	.	.			trans	-63.8	145.6	173.2	-162.2	0	0	0	0	110	V2427 A2428 G2454 C2457	S2425-V2427 PolarHBondContact O-N 2.84Å; S2425-A2428 WeakPolarHBondContact O-CB 3.49Å; S2425-A2428 PolarHBondContact O-N 3.34Å; S2425-G2454 PolarHBondContact N-O 3.39Å; S2425-C2457 PolarHBondContact OG-N 2.84Å
2426	A	63.2	Low	66.8	Low	113 Å²	113	57.4 Å²	57.4	93%	0.934	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.3	-14.1	176.6	0	0	0	0	0	114.3
2427	V	61.6	Low	66.6	Low	56 Å²	56	59.9 Å²	59.9	34%	0.339	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.7	16.3	175.1	-134.1	0	0	0	0	113.7	S2425 P2442 Y2445 C2457	S2425-V2427 PolarHBondContact O-N 2.84Å; V2427-P2442 WeakPolarHBondContact O-CD 3.31Å; V2427-P2442 WeakPolarHBondContact O-CG 3.19Å; V2427-Y2445 HydrophobicContact CB-CD1 4.02Å; V2427-Y2445 HydrophobicContact CB-CE1 4.08Å; V2427-Y2445 HydrophobicContact CB-CG 4.33Å; V2427-Y2445 HydrophobicContact CG1-CD1 3.99Å; V2427-Y2445 HydrophobicContact CG1-CD2 3.98Å; V2427-Y2445 HydrophobicContact CG1-CE1 3.69Å; V2427-Y2445 HydrophobicContact CG1-CE2 3.72Å; V2427-Y2445 HydrophobicContact CG1-CG 4.15Å; V2427-Y2445 HydrophobicContact CG2-CD1 4.25Å; V2427-Y2445 HydrophobicContact CG2-CE1 4.06Å; V2427-C2457 HydrophobicContact CB-CB 4.18Å
2428	A	66.7	Low	66.5	Low	23 Å²	23	60.3 Å²	60.3	19%	0.19	35%	0.351	C	S	.	.	S	Bend	trans	-96.8	148.4	-179.1	0	0	0	0	0	113.1	C2424 S2425 C2430 G2454 C2457	C2424-A2428 HydrophobicContact CB-CB 4.19Å; S2425-A2428 WeakPolarHBondContact O-CB 3.49Å; S2425-A2428 PolarHBondContact O-N 3.34Å; A2428-C2430 PolarHBondContact O-N 2.02Å; A2428-G2454 WeakPolarHBondContact CB-O 3.43Å; A2428-C2457 VanDerWaalsContact CB-SG 3.55Å
2429	I	75.4	Confident	66.8	Low	79 Å²	79	58.2 Å²	58.2	41%	0.405	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	97.9	160.1	-53.6	173.2	0	0	0	106.9	K2431 C2439 S2440 P2442	I2429-K2431 HydrophobicContact CG2-CG 4.37Å; I2429-C2439 CarbonylContact O-C 2.79Å; I2429-S2440 WeakPolarHBondContact CA-O 3.4Å; I2429-S2440 WeakPolarHBondContact CB-O 3.08Å; I2429-S2440 PolarHBondContact N-O 3.16Å; I2429-S2440 PolarHBondContact O-N 3.42Å; I2429-S2440 PolarHBondContact O-OG 2.91Å; I2429-P2442 HydrophobicContact CD1-CB 3.86Å; I2429-P2442 HydrophobicContact CG1-CB 3.83Å; I2429-P2442 HydrophobicContact CG1-CG 4.43Å
2430	C	77.6	Confident	67	Low	30 Å²	30	59.4 Å²	59.4	20%	0.203	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	142.6	161.4	-165.2	0	0	0	0	110	C2417 C2424 A2428	C2417-C2430 WeakPolarHBondContact CA-SG 3.26Å; C2417-C2430 HydrophobicContact CB-CB 3.45Å; C2417-C2430 VanDerWaalsContact CB-CB 3.45Å; C2417-C2430 WeakPolarHBondContact CB-SG 3.31Å; C2417-C2430 WeakPolarHBondContact SG-CB 3.48Å; C2417-C2430 CovalentContact SG-SG 2.01Å; C2417-C2430 PolarHBondContact SG-SG 2.97Å; C2424-C2430 HydrophobicContact CB-CB 4.36Å; C2424-C2430 VanDerWaalsContact SG-CB 3.55Å; C2424-C2430 PolarHBondContact SG-SG 2.89Å; A2428-C2430 PolarHBondContact O-N 2.02Å
2431	K	70.8	Confident	67.2	Low	121 Å²	121	59.5 Å²	59.5	53%	0.526	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	134	167.6	-68.1	-179.6	177.4	179.8	0	109.9	C2417 I2429 Y2437 S2438	C2417-K2431 VanDerWaalsContact SG-CA 3.51Å; C2417-K2431 PolarHBondContact SG-N 2.97Å; C2417-K2431 PolarHBondContact SG-O 2.03Å; C2417-K2431 VanDerWaalsContact SG-O 3.42Å; I2429-K2431 HydrophobicContact CG2-CG 4.37Å; K2431-Y2437 WeakPolarHBondContact O-CA 3.3Å; K2431-S2438 PolarHBondContact N-O 2.56Å; K2431-S2438 PolarHBondContact O-N 2.75Å
2432	N	67.3	Low	66.7	Low	49 Å²	49	59.9 Å²	59.9	26%	0.262	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	145.1	164.6	-118.7	72.8	0	0	0	111.3	V2414 D2415 E2416 C2417	V2414-N2432 PolarHBondContact O-ND2 2.91Å; D2415-N2432 VanDerWaalsContact CA-OD1 3.24Å; D2415-N2432 WeakPolarHBondContact CA-OD1 3.45Å; D2415-N2432 PolarHBondContact OD1-OD1 3.37Å; E2416-N2432 PolarHBondContact N-OD1 3.28Å; E2416-N2432 PolarHBondContact OE2-ND2 2.81Å; E2416-N2432 PolarHBondContact OE2-OD1 3.17Å; C2417-N2432 PolarHBondContact N-OD1 2.55Å; C2417-N2432 PolarHBondContact SG-N 3.46Å; C2417-N2432 VanDerWaalsContact SG-N 3.37Å
2433	E	63.3	Low	65.9	Low	113 Å²	113	64.4 Å²	64.4	53%	0.528	37%	0.373	S	S	.	.			trans	-116.1	173.8	166.8	-50.4	-161.1	167.9	0	0	107.4	E2435 G2436 S2438	E2433-E2435 PolarHBondContact O-N 2.71Å; E2433-G2436 CarbonylContact C-O 2.94Å; E2433-G2436 WeakPolarHBondContact CA-O 3.3Å; E2433-G2436 WeakPolarHBondContact CB-O 3.3Å; E2433-G2436 PolarHBondContact N-O 3.46Å; E2433-S2438 WeakPolarHBondContact OE1-CB 3.07Å; E2433-S2438 PolarHBondContact OE1-OG 2.65Å
2434	D	55.5	Low	65	Low	151 Å²	151	61.6 Å²	61.6	81%	0.807	37%	0.365	S	S	*	.	S	Bend	trans	-70.4	-14.7	-170.6	-62.2	-48.2	0	0	0	113.4	K2412	K2412-D2434 WeakPolarHBondContact CA-O 3.19Å; K2412-D2434 WeakPolarHBondContact CB-O 3.36Å
2435	E	52.6	Low	64.2	Low	143 Å²	143	65.3 Å²	65.3	67%	0.668	38%	0.377	S	S	*	.	S	Bend	trans	-142.9	96.3	165.7	-65	-169.6	147.5	0	0	109.6	T2411 K2412 E2433	T2411-E2435 WeakPolarHBondContact O-CA 3.33Å; K2412-E2435 HydrophobicContact CB-CG 4.47Å; K2412-E2435 IonicContact NZ-OE1 3.96Å; K2412-E2435 PolarHBondContact NZ-OE1 2.86Å; E2433-E2435 PolarHBondContact O-N 2.71Å
2436	G	63.5	Low	63.7	Low	18 Å²	18	68 Å²	68	19%	0.186	39%	0.392	C	S	.	.	S	Bend	trans	87.3	-173	-176.7	0	0	0	0	0	115.7	T2411 E2416 E2433	T2411-G2436 PolarHBondContact O-N 2.64Å; E2416-G2436 VanDerWaalsContact OE2-C 3.31Å; E2416-G2436 WeakPolarHBondContact OE2-CA 3.43Å; E2433-G2436 CarbonylContact C-O 2.94Å; E2433-G2436 WeakPolarHBondContact CA-O 3.3Å; E2433-G2436 WeakPolarHBondContact CB-O 3.3Å; E2433-G2436 PolarHBondContact N-O 3.46Å
2437	Y	69.2	Low	63.4	Low	56 Å²	56	64.9 Å²	64.9	22%	0.22	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	147.7	-170.2	60.7	-82.7	0	0	0	115	E2416 L2421 T2422 N2423 K2431 R2455	E2416-Y2437 HydrophobicContact CB-CD1 3.38Å; E2416-Y2437 HydrophobicContact CB-CE1 3.94Å; E2416-Y2437 HydrophobicContact CB-CG 3.97Å; E2416-Y2437 HydrophobicContact CG-CD1 3.46Å; E2416-Y2437 VanDerWaalsContact CG-CD1 3.46Å; E2416-Y2437 HydrophobicContact CG-CE1 3.86Å; E2416-Y2437 HydrophobicContact CG-CG 4.46Å; L2421-Y2437 WeakPolarHBondContact O-CE1 3.1Å; L2421-Y2437 PolarHBondContact O-OH 2.7Å; T2422-Y2437 HydrophobicContact CG2-CD1 3.76Å; T2422-Y2437 HydrophobicContact CG2-CD2 3.34Å; T2422-Y2437 HydrophobicContact CG2-CE1 3.82Å; T2422-Y2437 HydrophobicContact CG2-CE2 3.44Å; T2422-Y2437 VanDerWaalsContact CG2-CE2 3.44Å; T2422-Y2437 HydrophobicContact CG2-CG 3.49Å; T2422-Y2437 VanDerWaalsContact CG2-CG 3.49Å; N2423-Y2437 PolarHBondContact OD1-OH 2.76Å; N2423-Y2437 VanDerWaalsContact OD1-OH 3.07Å; K2431-Y2437 WeakPolarHBondContact O-CA 3.3Å; Y2437-R2455 PolarHBondContact OH-NH2 2.9Å
2438	S	70	Confident	63	Low	36 Å²	36	64.9 Å²	64.9	25%	0.252	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	126.8	165	69.7	0	0	0	0	111.6	K2431 E2433	K2431-S2438 PolarHBondContact N-O 2.56Å; K2431-S2438 PolarHBondContact O-N 2.75Å; E2433-S2438 WeakPolarHBondContact OE1-CB 3.07Å; E2433-S2438 PolarHBondContact OE1-OG 2.65Å
2439	C	73.8	Confident	62.2	Low	5 Å²	5	66.4 Å²	66.4	3%	0.034	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	152.6	172.5	-36.8	0	0	0	0	109.9	C2424 I2429 P2453 G2454 R2455	C2424-C2439 WeakPolarHBondContact CA-SG 3.26Å; C2424-C2439 HydrophobicContact CB-CB 3.7Å; C2424-C2439 WeakPolarHBondContact CB-SG 3.5Å; C2424-C2439 WeakPolarHBondContact SG-CB 3.45Å; C2424-C2439 CovalentContact SG-SG 2.01Å; C2424-C2439 PolarHBondContact SG-SG 2.99Å; I2429-C2439 CarbonylContact O-C 2.79Å; C2439-P2453 CarbonylContact C-O 3.53Å; C2439-P2453 WeakPolarHBondContact CB-O 3.17Å; C2439-P2453 CarbonylContact O-C 2.78Å; C2439-G2454 VanDerWaalsContact C-CA 3.46Å; C2439-G2454 PolarHBondContact O-N 3.18Å; C2439-R2455 HydrophobicContact CB-CG 4.25Å
2440	S	71.5	Confident	60.6	Low	38 Å²	38	68.3 Å²	68.3	27%	0.266	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154	131.7	173.6	58.7	0	0	0	0	112.4	I2429	I2429-S2440 WeakPolarHBondContact CA-O 3.4Å; I2429-S2440 WeakPolarHBondContact CB-O 3.08Å; I2429-S2440 PolarHBondContact N-O 3.16Å; I2429-S2440 PolarHBondContact O-N 3.42Å; I2429-S2440 PolarHBondContact O-OG 2.91Å
2441	C	69.6	Low	59.4	Low	26 Å²	26	71.4 Å²	71.4	18%	0.176	42%	0.416	C	S	.	.			trans	-68.5	136	-179.1	-60.5	0	0	0	0	113.5	V2446 D2447 C2457	C2441-V2446 VanDerWaalsContact SG-C 3.58Å; C2441-D2447 PolarHBondContact SG-OD1 2.9Å; C2441-D2447 PolarHBondContact SG-OD2 3.2Å; C2441-D2447 VanDerWaalsContact SG-OD2 3.39Å; C2441-C2457 WeakPolarHBondContact CA-SG 3.01Å; C2441-C2457 HydrophobicContact CB-CB 4.03Å; C2441-C2457 WeakPolarHBondContact CB-SG 3.39Å; C2441-C2457 WeakPolarHBondContact SG-CA 3.5Å; C2441-C2457 WeakPolarHBondContact SG-CB 3.23Å; C2441-C2457 CovalentContact SG-SG 2.04Å; C2441-C2457 PolarHBondContact SG-SG 2.94Å
2442	P	58.1	Low	58.7	Low	31 Å²	31	69.5 Å²	69.5	20%	0.201	41%	0.409	C	S	.	.			trans	-69.3	156.8	175.6	27.8	-33.3	0	0	0	112	V2427 I2429 G2444 Y2445	V2427-P2442 WeakPolarHBondContact O-CD 3.31Å; V2427-P2442 WeakPolarHBondContact O-CG 3.19Å; I2429-P2442 HydrophobicContact CD1-CB 3.86Å; I2429-P2442 HydrophobicContact CG1-CB 3.83Å; I2429-P2442 HydrophobicContact CG1-CG 4.43Å; P2442-G2444 PolarHBondContact O-N 2.93Å; P2442-Y2445 HydrophobicContact CG-CD2 4.24Å; P2442-Y2445 PolarHBondContact O-N 2.96Å
2443	P	52.1	Low	58.1	Low	124 Å²	124	70.6 Å²	70.6	81%	0.805	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	89.2	-173.1	-25	36.3	0	0	0	115.8	C2466	P2443-C2466 PolarHBondContact O-SG 2.84Å; P2443-C2466 VanDerWaalsContact O-SG 3.37Å
2444	G	46.8	Very low	57.8	Low	31 Å²	31	65.2 Å²	65.2	32%	0.32	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	153.5	-26.6	-177.6	0	0	0	0	0	111.9	P2442 A2460	P2442-G2444 PolarHBondContact O-N 2.93Å; G2444-A2460 PolarHBondContact O-N 3.22Å
2445	Y	53.7	Low	58.5	Low	99 Å²	99	61.2 Å²	61.2	39%	0.388	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	156.7	169.3	-63.8	-101.4	0	0	0	109.9	V2427 P2442 A2458 A2459	V2427-Y2445 HydrophobicContact CB-CD1 4.02Å; V2427-Y2445 HydrophobicContact CB-CE1 4.08Å; V2427-Y2445 HydrophobicContact CB-CG 4.33Å; V2427-Y2445 HydrophobicContact CG1-CD1 3.99Å; V2427-Y2445 HydrophobicContact CG1-CD2 3.98Å; V2427-Y2445 HydrophobicContact CG1-CE1 3.69Å; V2427-Y2445 HydrophobicContact CG1-CE2 3.72Å; V2427-Y2445 HydrophobicContact CG1-CG 4.15Å; V2427-Y2445 HydrophobicContact CG2-CD1 4.25Å; V2427-Y2445 HydrophobicContact CG2-CE1 4.06Å; P2442-Y2445 HydrophobicContact CG-CD2 4.24Å; P2442-Y2445 PolarHBondContact O-N 2.96Å; Y2445-A2458 CarbonylContact C-O 3.02Å; Y2445-A2458 WeakPolarHBondContact CA-O 3.42Å; Y2445-A2459 HydrophobicContact CD1-CB 3.96Å; Y2445-A2459 HydrophobicContact CE1-CB 3.74Å
2446	V	54.8	Low	58.5	Low	85 Å²	85	56.1 Å²	56.1	52%	0.515	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	144.2	-175.9	-166.4	0	0	0	0	108.2	C2441 G2448 A2458 A2460	C2441-V2446 VanDerWaalsContact SG-C 3.58Å; V2446-G2448 PolarHBondContact O-N 2.87Å; V2446-A2458 PolarHBondContact N-O 2.68Å; V2446-A2458 PolarHBondContact O-N 2.74Å; V2446-A2460 HydrophobicContact CG2-CB 3.81Å
2447	D	57.9	Low	58.3	Low	48 Å²	48	55.9 Å²	55.9	26%	0.257	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	113.1	179.7	-93	-60.7	0	0	0	112.6	C2441 N2449 G2454 A2456	C2441-D2447 PolarHBondContact SG-OD1 2.9Å; C2441-D2447 PolarHBondContact SG-OD2 3.2Å; C2441-D2447 VanDerWaalsContact SG-OD2 3.39Å; D2447-N2449 VanDerWaalsContact C-N 3.27Å; D2447-G2454 WeakPolarHBondContact OD1-CA 3.47Å; D2447-G2454 PolarHBondContact OD1-N 2.81Å; D2447-G2454 PolarHBondContact OD2-N 2.78Å; D2447-A2456 CarbonylContact C-O 3.14Å; D2447-A2456 WeakPolarHBondContact CA-O 3.4Å
2448	G	52.6	Low	57.3	Low	57 Å²	57	56 Å²	56	59%	0.588	36%	0.357	S	S	*	.	S	Bend	trans	-77.2	-7.9	171.9	0	0	0	0	0	113.7	V2446 A2456	V2446-G2448 PolarHBondContact O-N 2.87Å; G2448-A2456 PolarHBondContact N-O 3.43Å
2449	N	50.5	Low	56	Low	55 Å²	55	57.5 Å²	57.5	29%	0.294	37%	0.371	S	S	.	.			trans	-129.3	103.4	168.5	-173.4	8.3	0	0	0	111.7	D2447 S2451 Q2452 A2456	D2447-N2449 VanDerWaalsContact C-N 3.27Å; N2449-S2451 VanDerWaalsContact C-N 3.3Å; N2449-S2451 PolarHBondContact O-N 2.64Å; N2449-S2451 PolarHBondContact OD1-N 3.35Å; N2449-S2451 PolarHBondContact OD1-OG 3.38Å; N2449-Q2452 CarbonylContact O-C 3.32Å; N2449-Q2452 PolarHBondContact O-N 2.85Å; N2449-A2456 HydrophobicContact CB-CB 4.48Å
2450	P	42.1	Very low	54.3	Low	119 Å²	119	60.5 Å²	60.5	77%	0.773	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.1	-21.6	-178.9	-23.4	35	0	0	0	115.7
2451	S	51	Low	52.8	Low	95 Å²	95	63.7 Å²	63.7	66%	0.664	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83	-15.9	-179.3	63.8	0	0	0	0	113.4	N2449	N2449-S2451 VanDerWaalsContact C-N 3.3Å; N2449-S2451 PolarHBondContact O-N 2.64Å; N2449-S2451 PolarHBondContact OD1-N 3.35Å; N2449-S2451 PolarHBondContact OD1-OG 3.38Å
2452	Q	56.8	Low	50.9	Low	81 Å²	81	68.2 Å²	68.2	38%	0.379	45%	0.45	S	S	.	.	S	Bend	trans	-140.3	83.4	175.7	-59.4	-176.4	-9.1	0	0	108.6	N2449 R2455	N2449-Q2452 CarbonylContact O-C 3.32Å; N2449-Q2452 PolarHBondContact O-N 2.85Å; Q2452-R2455 HydrophobicContact CB-CB 4.09Å; Q2452-R2455 HydrophobicContact CB-CG 3.9Å; Q2452-R2455 VanDerWaalsContact CD-NH1 3.3Å; Q2452-R2455 WeakPolarHBondContact O-CB 2.94Å; Q2452-R2455 PolarHBondContact O-N 3.3Å; Q2452-R2455 VanDerWaalsContact O-N 3.16Å; Q2452-R2455 VanDerWaalsContact OE1-CD 3.26Å
2453	P	54	Low	49.7	Very low	71 Å²	71	71.9 Å²	71.9	46%	0.461	48%	0.476	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.3	152	-179.4	24.9	-34.5	0	0	0	111.4	C2439 R2455	C2439-P2453 CarbonylContact C-O 3.53Å; C2439-P2453 WeakPolarHBondContact CB-O 3.17Å; C2439-P2453 CarbonylContact O-C 2.78Å; P2453-R2455 PolarHBondContact O-N 3.22Å
2454	G	56.9	Low	48.3	Very low	0 Å²	0	75.6 Å²	75.6	0%	0	48%	0.48	C	S	.	.	T	Hydrogen-bonded Turn	trans	56.7	-0.3	-164.1	0	0	0	0	0	118.1	S2425 A2428 C2439 D2447	S2425-G2454 PolarHBondContact N-O 3.39Å; A2428-G2454 WeakPolarHBondContact CB-O 3.43Å; C2439-G2454 VanDerWaalsContact C-CA 3.46Å; C2439-G2454 PolarHBondContact O-N 3.18Å; D2447-G2454 WeakPolarHBondContact OD1-CA 3.47Å; D2447-G2454 PolarHBondContact OD1-N 2.81Å; D2447-G2454 PolarHBondContact OD2-N 2.78Å
2455	R	70.2	Confident	47.3	Very low	67 Å²	67	85.6 Å²	85.6	25%	0.253	51%	0.508	S	S	.	.	S	Bend	trans	-81.7	-13.3	-176	-62	-158.5	-178.6	173.4	-14.1	114.7	N2423 Y2437 C2439 Q2452 P2453	N2423-R2455 PolarHBondContact ND2-NH1 2.75Å; N2423-R2455 WeakPolarHBondContact O-CA 3.48Å; N2423-R2455 WeakPolarHBondContact O-CB 3.5Å; N2423-R2455 WeakPolarHBondContact O-CD 3.21Å; N2423-R2455 VanDerWaalsContact O-CG 3.24Å; N2423-R2455 WeakPolarHBondContact O-CG 3.41Å; N2423-R2455 WeakPolarHBondContact OD1-CD 3.47Å; N2423-R2455 PolarHBondContact OD1-NE 2.03Å; N2423-R2455 PolarHBondContact OD1-NH1 3.47Å; N2423-R2455 PolarHBondContact OD1-NH2 2.93Å; Y2437-R2455 PolarHBondContact OH-NH2 2.9Å; C2439-R2455 HydrophobicContact CB-CG 4.25Å; Q2452-R2455 HydrophobicContact CB-CB 4.09Å; Q2452-R2455 HydrophobicContact CB-CG 3.9Å; Q2452-R2455 VanDerWaalsContact CD-NH1 3.3Å; Q2452-R2455 WeakPolarHBondContact O-CB 2.94Å; Q2452-R2455 PolarHBondContact O-N 3.3Å; Q2452-R2455 VanDerWaalsContact O-N 3.16Å; Q2452-R2455 VanDerWaalsContact OE1-CD 3.26Å; P2453-R2455 PolarHBondContact O-N 3.22Å
2456	A	53.3	Low	46.5	Very low	37 Å²	37	84.9 Å²	84.9	31%	0.306	52%	0.516	S	S	.	.	S	Bend	trans	-144.2	112.7	166.5	0	0	0	0	0	109.7	D2447 G2448 N2449	D2447-A2456 CarbonylContact C-O 3.14Å; D2447-A2456 WeakPolarHBondContact CA-O 3.4Å; G2448-A2456 PolarHBondContact N-O 3.43Å; N2449-A2456 HydrophobicContact CB-CB 4.48Å
2457	C	59.4	Low	45.3	Very low	12 Å²	12	87.2 Å²	87.2	8%	0.081	53%	0.531	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	111.2	-174.9	-72	0	0	0	0	112.3	S2425 V2427 A2428 C2441	S2425-C2457 PolarHBondContact OG-N 2.84Å; V2427-C2457 HydrophobicContact CB-CB 4.18Å; A2428-C2457 VanDerWaalsContact CB-SG 3.55Å; C2441-C2457 WeakPolarHBondContact CA-SG 3.01Å; C2441-C2457 HydrophobicContact CB-CB 4.03Å; C2441-C2457 WeakPolarHBondContact CB-SG 3.39Å; C2441-C2457 WeakPolarHBondContact SG-CA 3.5Å; C2441-C2457 WeakPolarHBondContact SG-CB 3.23Å; C2441-C2457 CovalentContact SG-SG 2.04Å; C2441-C2457 PolarHBondContact SG-SG 2.94Å
2458	A	47.7	Very low	44.1	Very low	59 Å²	59	96 Å²	96	49%	0.488	56%	0.56	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-115.6	138.5	-177.5	0	0	0	0	0	112.4	Y2445 V2446	Y2445-A2458 CarbonylContact C-O 3.02Å; Y2445-A2458 WeakPolarHBondContact CA-O 3.42Å; V2446-A2458 PolarHBondContact N-O 2.68Å; V2446-A2458 PolarHBondContact O-N 2.74Å
2459	A	44	Very low	42.9	Very low	67 Å²	67	105.1 Å²	105.1	55%	0.554	58%	0.577	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-76.4	133.1	-175.1	0	0	0	0	0	113.4	Y2445 S2461	Y2445-A2459 HydrophobicContact CD1-CB 3.96Å; Y2445-A2459 HydrophobicContact CE1-CB 3.74Å; A2459-S2461 PolarHBondContact O-N 2.73Å
2460	A	38	Very low	41.6	Very low	69 Å²	69	112.5 Å²	112.5	57%	0.57	60%	0.601	S	S	*	*			trans	-85	97.4	178.4	0	0	0	0	0	113	G2444 V2446	G2444-A2460 PolarHBondContact O-N 3.22Å; V2446-A2460 HydrophobicContact CG2-CB 3.81Å
2461	S	38.8	Very low	40.8	Very low	104 Å²	104	111.7 Å²	111.7	73%	0.727	60%	0.598	S	S	*	*			trans	-19.2	146	158.8	46.7	0	0	0	0	118.3	A2459	A2459-S2461 PolarHBondContact O-N 2.73Å
2462	C	30.8	Very low	39.4	Very low	121 Å²	121	112.6 Å²	112.6	82%	0.818	60%	0.595	S	S	*	*	S	Bend	cis	-157.2	145.4	-10.8	-90.3	0	0	0	0	106.8
2463	S	31.3	Very low	37.8	Very low	108 Å²	108	120.5 Å²	120.5	76%	0.755	62%	0.621	S	S	*	*	S	Bend	cis	-134.1	133.1	3	-55.8	0	0	0	0	109.6
2464	F	24.3	Very low	36.4	Very low	202 Å²	202	123.4 Å²	123.4	89%	0.886	62%	0.624	S	S	*	*	S	Bend	trans	54.1	106.1	-175.3	-90.5	-70.9	0	0	0	117.7
2465	R	25.6	Very low	35.4	Very low	241 Å²	241	131.5 Å²	131.5	91%	0.909	65%	0.654	S	S	*	*			trans	76	146.3	157.8	-70.1	-174.5	173.5	-168.3	-2.3	119.8
2466	C	36.8	Very low	33.5	Very low	84 Å²	84	134.8 Å²	134.8	57%	0.568	67%	0.673	S	S	*	*			trans	-75.2	146	-167.7	-39.8	0	0	0	0	113.5	P2443	P2443-C2466 PolarHBondContact O-SG 2.84Å; P2443-C2466 VanDerWaalsContact O-SG 3.37Å
2467	V	28.6	Very low	33.2	Very low	134 Å²	134	138.1 Å²	138.1	81%	0.812	69%	0.691	S	S	*	*				-149.1	111.6	126	172.6	0	0	0	0	110.7
2468	R	33.8	Very low	31.5	Very low	234 Å²	234	144.2 Å²	144.2	88%	0.883	72%	0.722	S	S	*	*			trans	22.9	101.7	142.7	-57.5	173.5	175.6	162.7	-2	117.7
2469	R	26.7	Very low	30.3	Very low	247 Å²	247	148.3 Å²	148.3	93%	0.932	74%	0.735	S	S	*	*			trans	-121.2	110.8	130.6	-87.3	-167.3	173.9	-168.9	1.3	110
2470	R	23.3	Very low	29.8	Very low	210 Å²	210	150.8 Å²	150.8	79%	0.792	74%	0.744	S	S	*	*			trans	34.9	107.1	150.8	-77.5	-171.2	178.3	-168	-2.6	116.6
2471	S	25	Very low	29.9	Very low	102 Å²	102	154.2 Å²	154.2	71%	0.713	75%	0.748	S	S	*	*				41.5	110.7	65.3	88.3	0	0	0	0	113.1
2472	L	22.7	Very low	29.9	Very low	115 Å²	115	159 Å²	159	60%	0.602	75%	0.75	S	S	*	*			trans	-171.9	142.9	132.4	-91	147	0	0	0	104.8	Y2474	L2472-Y2474 CarbonylContact C-O 3.33Å; L2472-Y2474 VanDerWaalsContact CB-O 3.22Å; L2472-Y2474 WeakPolarHBondContact CB-O 3.26Å; L2472-Y2474 VanDerWaalsContact O-O 3.1Å
2473	W	23.7	Very low	30.4	Very low	247 Å²	247	161.8 Å²	161.8	94%	0.936	75%	0.748	S	S	*	*	S	Bend	cis	56.6	68.2	43.3	-96	86.1	0	0	0	111.4
2474	Y	24	Very low	30.6	Very low	131 Å²	131	161 Å²	161	51%	0.514	75%	0.748	S	S	.	*	S	Bend	trans	67.3	152	-155.3	-94.9	-151	0	0	0	110.6	L2472 S2495	L2472-Y2474 CarbonylContact C-O 3.33Å; L2472-Y2474 VanDerWaalsContact CB-O 3.22Å; L2472-Y2474 WeakPolarHBondContact CB-O 3.26Å; L2472-Y2474 VanDerWaalsContact O-O 3.1Å; Y2474-S2495 PolarHBondContact OH-O 3.43Å
2475	R	36.4	Very low	31.1	Very low	171 Å²	171	158.6 Å²	158.6	65%	0.645	74%	0.737	S	S	*	*				53.3	150.8	86.6	-112.3	-171	-103	169.2	-7.1	110.9
2476	E	29.3	Very low	31.5	Very low	136 Å²	136	156.1 Å²	156.1	64%	0.636	73%	0.728	S	S	*	*			cis	-169.6	-170.8	48	-137.6	162.6	-128.5	0	0	109
2477	P	47.8	Very low	31.3	Very low	106 Å²	106	156.8 Å²	156.8	69%	0.688	73%	0.732	S	S	*	*			trans	-94.1	-143.7	-137.4	38	-16.8	0	0	0	110.7
2478	L	23.1	Very low	31.7	Very low	141 Å²	141	159.4 Å²	159.4	74%	0.738	73%	0.727	S	S	*	*				-171.3	149.7	119.7	-99.6	172.8	0	0	0	112
2479	L	21.7	Very low	31.9	Very low	144 Å²	144	152.9 Å²	152.9	75%	0.754	72%	0.717	S	S	*	*			trans	58.3	111.8	148	-65.5	166.5	0	0	0	116.7
2480	T	33.1	Very low	32.1	Very low	120 Å²	120	146.7 Å²	146.7	74%	0.736	71%	0.707	S	S	*	*	S	Bend	cis	-164.9	154.1	34.2	60.1	0	0	0	0	109.7
2481	Q	41.9	Very low	32.7	Very low	140 Å²	140	143.2 Å²	143.2	65%	0.654	71%	0.709	S	S	*	*	S	Bend	cis	-138	155.2	5.1	-70	-170.8	32.9	0	0	108.5
2482	R	38.7	Very low	32.9	Very low	205 Å²	205	141.9 Å²	141.9	77%	0.774	71%	0.711	S	S	*	*			cis	-163.8	175.3	-6.3	-111.8	170	-174.2	163.4	-6.4	108.3
2483	K	41.4	Very low	33.4	Very low	180 Å²	180	141 Å²	141	78%	0.783	72%	0.721	S	S	*	*			trans	-46.2	141.2	157.6	-61.6	-178.9	-179.8	-176.5	0	109.6	F2485	K2483-F2485 HydrophobicContact CB-CD2 4.42Å; K2483-F2485 HydrophobicContact CD-CD2 4.31Å; K2483-F2485 HydrophobicContact CD-CE2 4.04Å; K2483-F2485 HydrophobicContact CG-CD2 4.36Å; K2483-F2485 HydrophobicContact CG-CE2 4.45Å
2484	A	35.1	Very low	33.8	Very low	92 Å²	92	135.1 Å²	135.1	76%	0.76	72%	0.717	S	S	*	*				-138.8	133.9	58.4	0	0	0	0	0	112.3
2485	F	34.7	Very low	34.1	Very low	150 Å²	150	133 Å²	133	66%	0.658	72%	0.721	S	S	*	*				70.2	121.1	71.8	-100	-122.7	0	0	0	113.7	K2483	K2483-F2485 HydrophobicContact CB-CD2 4.42Å; K2483-F2485 HydrophobicContact CD-CD2 4.31Å; K2483-F2485 HydrophobicContact CD-CE2 4.04Å; K2483-F2485 HydrophobicContact CG-CD2 4.36Å; K2483-F2485 HydrophobicContact CG-CE2 4.45Å
2486	W	33.3	Very low	34	Very low	189 Å²	189	129.5 Å²	129.5	72%	0.716	72%	0.723	S	S	*	*			trans	70.4	160.5	159	-75.8	38.3	0	0	0	117.3	W2488	W2486-W2488 AromaticContact CE3-CE2 3.95Å; W2486-W2488 HydrophobicContact CE3-CZ2 4.02Å; W2486-W2488 AromaticContact CE3-NE1 3.93Å; W2486-W2488 AromaticContact CH2-CZ2 3.71Å; W2486-W2488 HydrophobicContact CH2-CZ2 3.71Å; W2486-W2488 AromaticContact CH2-NE1 3.82Å; W2486-W2488 AromaticContact CZ3-CE2 3.6Å; W2486-W2488 HydrophobicContact CZ3-CH2 4.11Å; W2486-W2488 AromaticContact CZ3-CZ2 3.27Å; W2486-W2488 HydrophobicContact CZ3-CZ2 3.27Å; W2486-W2488 AromaticContact CZ3-NE1 3.75Å
2487	P	34.1	Very low	34.1	Very low	99 Å²	99	127.3 Å²	127.3	64%	0.643	72%	0.723	S	S	*	*			cis	-113.8	146.7	-2.8	37.2	-25.4	0	0	0	114.9
2488	W	36.6	Very low	33.1	Very low	189 Å²	189	129.9 Å²	129.9	72%	0.716	73%	0.726	S	S	*	*			trans	46.7	109.8	141.7	-54.9	-29.2	0	0	0	119.7	W2486	W2486-W2488 AromaticContact CE3-CE2 3.95Å; W2486-W2488 HydrophobicContact CE3-CZ2 4.02Å; W2486-W2488 AromaticContact CE3-NE1 3.93Å; W2486-W2488 AromaticContact CH2-CZ2 3.71Å; W2486-W2488 HydrophobicContact CH2-CZ2 3.71Å; W2486-W2488 AromaticContact CH2-NE1 3.82Å; W2486-W2488 AromaticContact CZ3-CE2 3.6Å; W2486-W2488 HydrophobicContact CZ3-CH2 4.11Å; W2486-W2488 AromaticContact CZ3-CZ2 3.27Å; W2486-W2488 HydrophobicContact CZ3-CZ2 3.27Å; W2486-W2488 AromaticContact CZ3-NE1 3.75Å
2489	S	37	Very low	33.4	Very low	96 Å²	96	125.9 Å²	125.9	67%	0.671	71%	0.71	S	S	*	*				78.9	152.2	64.3	83.9	0	0	0	0	113.6
2490	T	31.8	Very low	33.6	Very low	117 Å²	117	126.6 Å²	126.6	72%	0.718	71%	0.709	S	S	*	*			cis	-156	150.5	24.4	-27.5	0	0	0	0	110.7
2491	V	35	Very low	33.4	Very low	138 Å²	138	123.5 Å²	123.5	84%	0.836	70%	0.696	S	S	*	*	S	Bend	trans	56.6	78.4	170.8	-165.4	0	0	0	0	113.4
2492	G	28.6	Very low	32.6	Very low	73 Å²	73	123 Å²	123	75%	0.753	70%	0.698	S	S	*	*			cis	88	138.9	13	0	0	0	0	0	112.4
2493	A	34.6	Very low	32	Very low	98 Å²	98	118.7 Å²	118.7	81%	0.81	69%	0.689	S	S	*	*			cis	-158.9	-158.2	6.7	0	0	0	0	0	111.9
2494	S	31.3	Very low	31.2	Very low	122 Å²	122	112.2 Å²	112.2	85%	0.853	67%	0.666	S	S	*	*			trans	81.1	142.4	-177.7	-58.1	0	0	0	0	116.4
2495	S	30.8	Very low	30.7	Very low	87 Å²	87	110.1 Å²	110.1	61%	0.608	65%	0.649	S	S	*	*			trans	178.4	156.8	-167.3	52.6	0	0	0	0	110.7	Y2474	Y2474-S2495 PolarHBondContact OH-O 3.43Å
2496	S	33.9	Very low	30.2	Very low	97 Å²	97	108.2 Å²	108.2	68%	0.678	64%	0.643	S	S	*	*			cis	179.4	167.5	-22.4	54.6	0	0	0	0	109
2497	S	32.2	Very low	30.1	Very low	91 Å²	91	104.3 Å²	104.3	64%	0.636	65%	0.645	S	S	*	*			trans	62.6	161.2	138.5	63.1	0	0	0	0	122.7
2498	E	26.4	Very low	29.8	Very low	160 Å²	160	104.5 Å²	104.5	75%	0.748	64%	0.644	S	S	*	*			trans	71.2	114	152.6	-75.7	-178.7	141.9	0	0	120.6
2499	S	28.3	Very low	29.8	Very low	57 Å²	57	100.7 Å²	100.7	40%	0.399	65%	0.647	S	S	.	*				79	160.8	124.3	81.7	0	0	0	0	120.7
2500	Q	27.6	Very low	29.9	Very low	158 Å²	158	100.5 Å²	100.5	74%	0.738	64%	0.643	S	S	*	*			trans	66.2	144.2	154.7	-67.3	160.4	42.1	0	0	117.2	P773	P773-Q2500 VanDerWaalsContact CG-C 3.44Å; P773-Q2500 VanDerWaalsContact CG-O 3.3Å; P773-Q2500 WeakPolarHBondContact CG-O 3.49Å
2501	A	27.4	Very low	30	Very low	56 Å²	56	104.5 Å²	104.5	46%	0.463	65%	0.651	S	S	.	*			cis	-176.7	-163.6	-12.8	0	0	0	0	0	106.8
2502	D	25.1	Very low	29.7	Very low	129 Å²	129	101.6 Å²	101.6	69%	0.69	65%	0.649	S	S	*	*				28.5	146.3	123.9	-65.2	-5.7	0	0	0	121.1
2503	I	27.9	Very low	29.9	Very low	115 Å²	115	106.6 Å²	106.6	59%	0.59	66%	0.656	S	S	*	*			cis	-153.2	171.7	-3.5	-123	164.8	0	0	0	110.5	P780 A2505	P780-I2503 VanDerWaalsContact CB-C 3.44Å; I2503-A2505 PolarHBondContact O-N 3.44Å
2504	S	23.2	Very low	29.5	Very low	43 Å²	43	105.3 Å²	105.3	30%	0.301	65%	0.653	S	S	.	*			trans	-37.2	120.2	170.8	-30.7	0	0	0	0	116	N781	N781-S2504 WeakPolarHBondContact ND2-CA 3.02Å; N781-S2504 WeakPolarHBondContact ND2-CB 3.3Å; N781-S2504 VanDerWaalsContact OD1-CB 3.24Å; N781-S2504 WeakPolarHBondContact OD1-CB 3.33Å; N781-S2504 PolarHBondContact OD1-OG 2.04Å
2505	A	24.6	Very low	29.7	Very low	49 Å²	49	104.5 Å²	104.5	41%	0.405	65%	0.654	S	S	.	*				55.8	-155.7	129.6	0	0	0	0	0	117.6	I2503	I2503-A2505 PolarHBondContact O-N 3.44Å
2506	M	25.4	Very low	29.8	Very low	110 Å²	110	104.9 Å²	104.9	54%	0.542	66%	0.662	S	S	.	*			trans	50.7	65.4	162.5	-67.5	-170.7	165.6	0	0	116	H816 T2508	H816-M2506 VanDerWaalsContact NE2-CE 3.32Å; H816-M2506 WeakPolarHBondContact NE2-CE 3.24Å; M2506-T2508 PolarHBondContact O-OG1 3.44Å
2507	S	30.9	Very low	29.9	Very low	107 Å²	107	109.4 Å²	109.4	75%	0.748	67%	0.669	S	S	*	*				68.9	-138.7	87.7	83.2	0	0	0	0	112.3
2508	T	28.1	Very low	29.7	Very low	102 Å²	102	109.9 Å²	109.9	63%	0.626	67%	0.672	S	S	*	*			trans	53.1	62.3	167.7	43.6	0	0	0	0	117.9	M2506	M2506-T2508 PolarHBondContact O-OG1 3.44Å
2509	S	36.7	Very low	29.9	Very low	110 Å²	110	106.4 Å²	106.4	77%	0.769	67%	0.666	S	S	*	*				62	-146.8	121.5	69.2	0	0	0	0	113.7
2510	P	39.2	Very low	29.9	Very low	91 Å²	91	111.3 Å²	111.3	59%	0.591	68%	0.683	S	S	*	*			cis	-130.3	-177.6	-19.7	23.2	1.2	0	0	0	115.1
2511	F	32.5	Very low	30.1	Very low	202 Å²	202	110.2 Å²	110.2	89%	0.886	68%	0.677	S	S	*	*			trans	67.3	70.5	154.6	-70.4	-60.8	0	0	0	120.7
2512	G	29.6	Very low	29.9	Very low	77 Å²	77	117.9 Å²	117.9	79%	0.794	70%	0.696	S	S	*	*			trans	73.1	-177.9	135	0	0	0	0	0	118.2
2513	I	31.5	Very low	29.8	Very low	177 Å²	177	116.2 Å²	116.2	91%	0.908	69%	0.692	S	S	*	*			cis	-141.1	133.9	4	-59	172.1	0	0	0	109
2514	G	27.5	Very low	29.7	Very low	71 Å²	71	115 Å²	115	73%	0.732	69%	0.686	S	S	*	*			trans	128.8	101.4	151.7	0	0	0	0	0	118.6
2515	A	34.7	Very low	29.9	Very low	106 Å²	106	119.6 Å²	119.6	88%	0.876	70%	0.701	S	S	*	*			trans	37	111.4	141.7	0	0	0	0	0	121.3
2516	A	32.5	Very low	30	Very low	94 Å²	94	121.8 Å²	121.8	78%	0.777	71%	0.71	S	S	*	*				-166.4	147	101.2	0	0	0	0	0	111.9
2517	K	35.8	Very low	30.6	Very low	193 Å²	193	123 Å²	123	84%	0.839	72%	0.717	S	S	*	*			trans	28.6	117.4	161.4	-62	-178.4	178.6	-178.8	0	118.8
2518	S	29.2	Very low	30.5	Very low	100 Å²	100	123.5 Å²	123.5	70%	0.699	72%	0.718	S	S	*	*			cis	67	154.8	41.6	104.2	0	0	0	0	113
2519	S	29.9	Very low	31.3	Very low	88 Å²	88	130.4 Å²	130.4	62%	0.615	73%	0.732	S	S	*	*			cis	179.6	153.6	-0.2	34.7	0	0	0	0	107.2
2520	E	29.1	Very low	31	Very low	160 Å²	160	129.3 Å²	129.3	75%	0.748	73%	0.73	S	S	*	*			cis	-168.9	-177.2	-4.7	-107.5	169.8	78.1	0	0	106.1
2521	H	30.6	Very low	30.8	Very low	135 Å²	135	134 Å²	134	63%	0.625	74%	0.741	S	S	*	*			cis	-137.1	-151	18.7	-150.7	45.9	0	0	0	107.2
2522	Y	24.3	Very low	30.9	Very low	216 Å²	216	130.6 Å²	130.6	85%	0.847	73%	0.731	S	S	*	*			cis	70.9	171.5	9.5	-92.4	-45.2	0	0	0	117.5
2523	P	23	Very low	30.7	Very low	94 Å²	94	135.5 Å²	135.5	61%	0.61	73%	0.731	S	S	*	*	S	Bend	trans	-83.7	-176.6	-142.4	38.9	-40.7	0	0	0	114.9	F2525	P2523-F2525 VanDerWaalsContact C-N 3.35Å; P2523-F2525 PolarHBondContact O-N 2.87Å
2524	D	26.7	Very low	30.7	Very low	89 Å²	89	131.4 Å²	131.4	48%	0.476	72%	0.723	S	S	.	*	S	Bend	trans	-51.7	88.1	164.3	173.3	23	0	0	0	113.2	V512 R516	V512-D2524 WeakPolarHBondContact CG1-OD2 3.15Å; R516-D2524 IonicContact CZ-OD1 3.15Å; R516-D2524 IonicContact CZ-OD2 3.43Å; R516-D2524 IonicContact NE-OD2 2.75Å; R516-D2524 PolarHBondContact NE-OD2 3.16Å; R516-D2524 IonicContact NH2-OD1 2.74Å; R516-D2524 PolarHBondContact NH2-OD1 2.01Å; R516-D2524 IonicContact NH2-OD2 3.16Å; R516-D2524 PolarHBondContact NH2-OD2 2.95Å
2525	F	26.1	Very low	30.8	Very low	140 Å²	140	132.6 Å²	132.6	61%	0.614	73%	0.726	S	S	*	*				-158.6	116.1	125	-109.6	-69.1	0	0	0	111.7	R516 P2523	R516-F2525 VanDerWaalsContact NH1-CZ 3.27Å; R516-F2525 VanDerWaalsContact NH2-CE2 3.33Å; R516-F2525 VanDerWaalsContact NH2-CZ 3.31Å; P2523-F2525 VanDerWaalsContact C-N 3.35Å; P2523-F2525 PolarHBondContact O-N 2.87Å
2526	T	26.8	Very low	30.5	Very low	95 Å²	95	131.1 Å²	131.1	58%	0.583	71%	0.714	S	S	*	*			trans	27.4	131.7	144	64.7	0	0	0	0	121.8
2527	I	39.1	Very low	30.5	Very low	137 Å²	137	135.8 Å²	135.8	70%	0.703	72%	0.72	S	S	*	*				49.8	111	123.7	-51.5	166.3	0	0	0	115.8	R2529	I2527-R2529 HydrophobicContact CG2-CB 4.15Å
2528	P	28.7	Very low	30.4	Very low	117 Å²	117	129.8 Å²	129.8	76%	0.76	71%	0.712	S	S	*	*				-151.4	101.7	83.5	37.2	-17.3	0	0	0	117.5	A2530	P2528-A2530 PolarHBondContact O-N 3.04Å
2529	R	43.9	Very low	30.7	Very low	246 Å²	246	129.5 Å²	129.5	93%	0.928	71%	0.71	S	S	*	*				31.8	69.5	102.7	-160.4	-174.6	-163.4	174.6	9.2	117.1	I2527	I2527-R2529 HydrophobicContact CG2-CB 4.15Å
2530	A	30.7	Very low	30.9	Very low	87 Å²	87	133.2 Å²	133.2	72%	0.719	72%	0.723	S	S	*	*			trans	-147.6	115.4	160.6	0	0	0	0	0	108.8	P2528	P2528-A2530 PolarHBondContact O-N 3.04Å
2531	K	34.2	Very low	31	Very low	191 Å²	191	127.3 Å²	127.3	83%	0.83	71%	0.705	S	S	*	*	S	Bend	cis	-148.8	157.9	22.5	-74	-170.6	167	179.5	0	110
2532	L	35	Very low	30.8	Very low	129 Å²	129	124.4 Å²	124.4	68%	0.675	70%	0.7	S	S	*	*			cis	-156.5	170.9	-6.7	-117.6	173.7	0	0	0	110.8
2533	K	24.5	Very low	31.3	Very low	181 Å²	181	118.1 Å²	118.1	79%	0.787	69%	0.685	S	S	*	*			trans	-31	141.7	155.9	-56.3	165.1	-166.6	178.1	0	114.9
2534	A	31.9	Very low	31.7	Very low	90 Å²	90	114.2 Å²	114.2	74%	0.744	66%	0.661	S	S	*	*				17.7	123.3	126.6	0	0	0	0	0	118.9
2535	A	30.4	Very low	31.8	Very low	96 Å²	96	116.5 Å²	116.5	79%	0.793	67%	0.669	S	S	*	*				-120.8	137.8	83.8	0	0	0	0	0	107.7
2536	A	28.5	Very low	32.1	Very low	75 Å²	75	114.4 Å²	114.4	62%	0.62	67%	0.668	S	S	*	*			cis	79.1	144.9	38.3	0	0	0	0	0	114
2537	H	31.7	Very low	32.2	Very low	193 Å²	193	111.2 Å²	111.2	89%	0.894	65%	0.651	S	S	*	*			trans	76.9	152.5	-172.5	-50.9	-81.2	0	0	0	115.7
2538	G	35.1	Very low	31.6	Very low	67 Å²	67	110.4 Å²	110.4	69%	0.691	64%	0.644	S	S	*	*			trans	95.5	39.3	175.7	0	0	0	0	0	116.7
2539	S	34.7	Very low	31.7	Very low	94 Å²	94	107.9 Å²	107.9	66%	0.657	63%	0.633	S	S	*	*				61	121.6	66.4	77.4	0	0	0	0	116.6
2540	N	34.6	Very low	31.4	Very low	166 Å²	166	98 Å²	98	89%	0.888	61%	0.607	S	S	*	*			trans	70.9	159.9	157.8	-49.8	-21.4	0	0	0	118.1
2541	G	30.8	Very low	31.8	Very low	36 Å²	36	99.4 Å²	99.4	37%	0.371	60%	0.595	S	S	.	*			trans	107.9	49.1	163.4	0	0	0	0	0	115.6	R2568	G2541-R2568 PolarHBondContact O-NH2 3.26Å
2542	S	27.2	Very low	32.3	Very low	73 Å²	73	97.1 Å²	97.1	51%	0.51	59%	0.589	S	S	.	*				63.2	160	74.9	83.7	0	0	0	0	115.4	R2568	S2542-R2568 PolarHBondContact O-NE 3.14Å
2543	T	34.6	Very low	32.3	Very low	85 Å²	85	98.1 Å²	98.1	52%	0.521	58%	0.584	S	S	.	*			trans	57.7	135.1	150.2	47.3	0	0	0	0	120.4	R2568 A2569	T2543-R2568 WeakPolarHBondContact O-CD 3.15Å; T2543-A2569 CarbonylContact C-O 3.59Å
2544	G	30.2	Very low	33	Very low	12 Å²	12	93.3 Å²	93.3	12%	0.124	58%	0.578	C	S	.	*			trans	79.9	99.7	134.5	0	0	0	0	0	111.9	P2567 R2568 A2569	G2544-P2567 CarbonylContact O-C 3.42Å; G2544-R2568 CarbonylContact O-C 3.59Å; G2544-R2568 WeakPolarHBondContact O-CA 3.49Å; G2544-R2568 WeakPolarHBondContact O-CB 3.32Å; G2544-R2568 PolarHBondContact O-N 2.96Å; G2544-A2569 CarbonylContact C-O 3.39Å; G2544-A2569 WeakPolarHBondContact CA-O 3.01Å; G2544-A2569 PolarHBondContact N-O 3.05Å; G2544-A2569 PolarHBondContact O-N 2.88Å
2545	E	30.1	Very low	33	Very low	137 Å²	137	98.9 Å²	98.9	64%	0.64	58%	0.581	S	S	*	*				86.7	102.4	84.9	-75.5	151.6	127.3	0	0	110.7	I2566 P2567 R2568 A2569	E2545-I2566 CarbonylContact O-C 3.53Å; E2545-P2567 CarbonylContact O-C 3.5Å; E2545-P2567 WeakPolarHBondContact O-CA 3.38Å; E2545-P2567 VanDerWaalsContact O-O 3.08Å; E2545-R2568 CarbonylContact C-O 3.42Å; E2545-R2568 VanDerWaalsContact C-O 3.31Å; E2545-R2568 PolarHBondContact N-O 3.31Å; E2545-R2568 VanDerWaalsContact N-O 3.1Å; E2545-R2568 PolarHBondContact O-N 2.74Å; E2545-A2569 PolarHBondContact N-O 2.82Å
2546	T	30.6	Very low	33	Very low	96 Å²	96	99.4 Å²	99.4	59%	0.589	57%	0.57	S	S	*	*			trans	69.3	-166.9	138.5	69.7	0	0	0	0	114.9	I2566 P2567 R2568	T2546-I2566 CarbonylContact C-O 3.54Å; T2546-I2566 PolarHBondContact OG1-O 2.77Å; T2546-P2567 CarbonylContact O-C 3.45Å; T2546-P2567 VanDerWaalsContact O-C 3.28Å; T2546-P2567 WeakPolarHBondContact O-CA 3.44Å; T2546-R2568 PolarHBondContact N-O 2.87Å; T2546-R2568 VanDerWaalsContact N-O 3.14Å; T2546-R2568 PolarHBondContact O-N 2.81Å; T2546-R2568 VanDerWaalsContact O-N 3.1Å
2547	A	30.3	Very low	33	Very low	28 Å²	28	102.4 Å²	102.4	23%	0.231	58%	0.576	C	S	.	*			cis	-155.3	137.5	-11.2	0	0	0	0	0	111.9	K2565 I2566	A2547-K2565 WeakPolarHBondContact CB-O 3.25Å; A2547-K2565 CarbonylContact O-C 3.52Å; A2547-K2565 WeakPolarHBondContact O-CA 3.48Å; A2547-I2566 WeakPolarHBondContact CB-O 3.14Å; A2547-I2566 PolarHBondContact N-O 2.04Å; A2547-I2566 PolarHBondContact O-N 2.99Å
2548	E	26.9	Very low	33.1	Very low	120 Å²	120	97.7 Å²	97.7	56%	0.561	57%	0.57	S	S	*	*				54	167.6	112.2	-47.3	172.8	124.3	0	0	122	G2563 W2564 K2565	E2548-G2563 VanDerWaalsContact CD-CA 3.44Å; E2548-G2563 WeakPolarHBondContact OE1-CA 3.02Å; E2548-G2563 PolarHBondContact OE1-N 2.78Å; E2548-G2563 WeakPolarHBondContact OE2-CA 3.08Å; E2548-G2563 PolarHBondContact OE2-N 2.02Å; E2548-W2564 VanDerWaalsContact CB-N 3.35Å; E2548-K2565 PolarHBondContact O-N 2.88Å
2549	A	29.4	Very low	32.8	Very low	64 Å²	64	98.8 Å²	98.8	53%	0.529	57%	0.565	S	S	.	*			trans	-67.7	-150.6	-175	0	0	0	0	0	114.1	G2563 W2564 K2565	A2549-G2563 WeakPolarHBondContact CB-O 3.31Å; A2549-G2563 PolarHBondContact N-O 3.4Å; A2549-W2564 VanDerWaalsContact C-N 3.31Å; A2549-W2564 CarbonylContact O-C 3.56Å; A2549-W2564 WeakPolarHBondContact O-CA 3.38Å; A2549-W2564 PolarHBondContact O-N 2.84Å; A2549-K2565 WeakPolarHBondContact O-CG 3.05Å; A2549-K2565 PolarHBondContact O-N 2.92Å
2550	G	38	Very low	33.3	Very low	37 Å²	37	100.3 Å²	100.3	38%	0.381	57%	0.566	S	S	.	*			cis	-168.1	-145.5	2.9	0	0	0	0	0	107.3	W2564	G2550-W2564 VanDerWaalsContact C-NE1 3.34Å; G2550-W2564 PolarHBondContact O-NE1 2.78Å; G2550-W2564 VanDerWaalsContact O-NE1 3.09Å
2551	Y	40.1	Very low	33.9	Very low	117 Å²	117	95.4 Å²	95.4	46%	0.459	55%	0.548	S	S	.	.			cis	-164.7	-179.7	10.8	-144.6	-11.1	0	0	0	106.4	R2553	Y2551-R2553 HydrophobicContact CD1-CB 3.93Å; Y2551-R2553 HydrophobicContact CD2-CB 3.82Å; Y2551-R2553 HydrophobicContact CD2-CG 4.03Å; Y2551-R2553 HydrophobicContact CE1-CB 4.01Å; Y2551-R2553 HydrophobicContact CE2-CB 3.88Å; Y2551-R2553 HydrophobicContact CE2-CG 3.81Å; Y2551-R2553 HydrophobicContact CG-CB 3.85Å
2552	M	43.1	Very low	34.4	Very low	144 Å²	144	99.9 Å²	99.9	71%	0.709	56%	0.558	S	S	*	*				-157.7	149.9	66	-71	-71.1	-171	0	0	109.9
2553	R	35.9	Very low	35.1	Very low	150 Å²	150	96.9 Å²	96.9	57%	0.566	54%	0.538	S	S	*	.			cis	143	131.4	-6.6	171.1	179.9	-171.6	167.8	3.2	107.7	Y2551	Y2551-R2553 HydrophobicContact CD1-CB 3.93Å; Y2551-R2553 HydrophobicContact CD2-CB 3.82Å; Y2551-R2553 HydrophobicContact CD2-CG 4.03Å; Y2551-R2553 HydrophobicContact CE1-CB 4.01Å; Y2551-R2553 HydrophobicContact CE2-CB 3.88Å; Y2551-R2553 HydrophobicContact CE2-CG 3.81Å; Y2551-R2553 HydrophobicContact CG-CB 3.85Å
2554	A	39.9	Very low	34.8	Very low	80 Å²	80	99 Å²	99	66%	0.661	54%	0.537	S	S	*	.			trans	70.1	159.6	174.9	0	0	0	0	0	115.3
2555	Y	30.4	Very low	34.5	Very low	206 Å²	206	103.2 Å²	103.2	81%	0.808	55%	0.552	S	S	*	*			cis	-106.9	140.1	8.4	-101.5	-123.5	0	0	0	111.8
2556	L	31.7	Very low	34.7	Very low	107 Å²	107	102.5 Å²	102.5	56%	0.56	55%	0.551	S	S	*	*				55.3	130	92.6	-58.4	-161.2	0	0	0	114
2557	D	27.9	Very low	35.1	Very low	139 Å²	139	102.3 Å²	102.3	74%	0.743	55%	0.552	S	S	*	*	S	Bend	cis	-132.7	156.9	2.8	-74.7	-58.1	0	0	0	108.7
2558	A	32.7	Very low	35.3	Very low	94 Å²	94	109.2 Å²	109.2	78%	0.777	57%	0.572	S	S	*	*	S	Bend	cis	-98.7	160.9	10.7	0	0	0	0	0	113.6
2559	P	30.3	Very low	36.1	Very low	90 Å²	90	106.1 Å²	106.1	58%	0.584	57%	0.566	S	S	*	*			trans	-84	165	-178.5	38.4	-38.4	0	0	0	111.6
2560	D	45.3	Very low	36.4	Very low	125 Å²	125	112.5 Å²	112.5	67%	0.668	58%	0.577	S	S	*	*			cis	-126.8	151.7	10.3	-88.3	-92.1	0	0	0	109.3	K2562	D2560-K2562 IonicContact OD1-NZ 3.14Å; D2560-K2562 PolarHBondContact OD1-NZ 3.1Å
2561	A	46	Very low	36.4	Very low	63 Å²	63	117.6 Å²	117.6	52%	0.521	59%	0.594	S	S	.	*			cis	85.1	124.1	29.1	0	0	0	0	0	116.3
2562	K	41.1	Very low	36.1	Very low	131 Å²	131	116.5 Å²	116.5	57%	0.57	60%	0.604	S	S	*	*			trans	99.4	167.1	164.8	-58.7	164.2	-116	77.7	0	115.1	D2560	D2560-K2562 IonicContact OD1-NZ 3.14Å; D2560-K2562 PolarHBondContact OD1-NZ 3.1Å
2563	G	43.4	Very low	35.9	Very low	10 Å²	10	115.9 Å²	115.9	10%	0.103	60%	0.604	C	S	.	*			cis	-124.5	-149.2	-11.3	0	0	0	0	0	112	E2548 A2549	E2548-G2563 VanDerWaalsContact CD-CA 3.44Å; E2548-G2563 WeakPolarHBondContact OE1-CA 3.02Å; E2548-G2563 PolarHBondContact OE1-N 2.78Å; E2548-G2563 WeakPolarHBondContact OE2-CA 3.08Å; E2548-G2563 PolarHBondContact OE2-N 2.02Å; A2549-G2563 WeakPolarHBondContact CB-O 3.31Å; A2549-G2563 PolarHBondContact N-O 3.4Å
2564	W	27.8	Very low	35.8	Very low	128 Å²	128	115.9 Å²	115.9	49%	0.485	62%	0.615	S	S	.	*			cis	124.1	29.1	-19.9	-95	77.5	0	0	0	125.6	E2548 A2549 G2550	E2548-W2564 VanDerWaalsContact CB-N 3.35Å; A2549-W2564 VanDerWaalsContact C-N 3.31Å; A2549-W2564 CarbonylContact O-C 3.56Å; A2549-W2564 WeakPolarHBondContact O-CA 3.38Å; A2549-W2564 PolarHBondContact O-N 2.84Å; G2550-W2564 VanDerWaalsContact C-NE1 3.34Å; G2550-W2564 PolarHBondContact O-NE1 2.78Å; G2550-W2564 VanDerWaalsContact O-NE1 3.09Å
2565	K	24.1	Very low	36	Very low	102 Å²	102	115.2 Å²	115.2	44%	0.443	62%	0.616	S	S	.	*			trans	71.5	155.2	154.5	-45.4	-178.8	178.8	-177.2	0	119.8	A2547 E2548 A2549	A2547-K2565 WeakPolarHBondContact CB-O 3.25Å; A2547-K2565 CarbonylContact O-C 3.52Å; A2547-K2565 WeakPolarHBondContact O-CA 3.48Å; E2548-K2565 PolarHBondContact O-N 2.88Å; A2549-K2565 WeakPolarHBondContact O-CG 3.05Å; A2549-K2565 PolarHBondContact O-N 2.92Å
2566	I	33	Very low	36.5	Very low	122 Å²	122	111.3 Å²	111.3	63%	0.626	61%	0.613	S	S	*	*			trans	72.3	155.8	158.2	5.9	174.7	0	0	0	117.7	E2545 T2546 A2547	E2545-I2566 CarbonylContact O-C 3.53Å; T2546-I2566 CarbonylContact C-O 3.54Å; T2546-I2566 PolarHBondContact OG1-O 2.77Å; A2547-I2566 WeakPolarHBondContact CB-O 3.14Å; A2547-I2566 PolarHBondContact N-O 2.04Å; A2547-I2566 PolarHBondContact O-N 2.99Å
2567	P	39.4	Very low	36.8	Very low	92 Å²	92	111.5 Å²	111.5	60%	0.597	61%	0.611	S	S	*	*				-126.6	149.6	-97.8	40.4	-24.3	0	0	0	116.5	G2544 E2545 T2546	G2544-P2567 CarbonylContact O-C 3.42Å; E2545-P2567 CarbonylContact O-C 3.5Å; E2545-P2567 WeakPolarHBondContact O-CA 3.38Å; E2545-P2567 VanDerWaalsContact O-O 3.08Å; T2546-P2567 CarbonylContact O-C 3.45Å; T2546-P2567 VanDerWaalsContact O-C 3.28Å; T2546-P2567 WeakPolarHBondContact O-CA 3.44Å
2568	R	34.9	Very low	37.3	Very low	173 Å²	173	110.3 Å²	110.3	65%	0.653	60%	0.601	S	S	*	*			trans	101.5	-148.5	162.8	-179	-168.3	-175.9	149.6	-0	115.6	G2541 S2542 T2543 G2544 E2545 T2546	G2541-R2568 PolarHBondContact O-NH2 3.26Å; S2542-R2568 PolarHBondContact O-NE 3.14Å; T2543-R2568 WeakPolarHBondContact O-CD 3.15Å; G2544-R2568 CarbonylContact O-C 3.59Å; G2544-R2568 WeakPolarHBondContact O-CA 3.49Å; G2544-R2568 WeakPolarHBondContact O-CB 3.32Å; G2544-R2568 PolarHBondContact O-N 2.96Å; E2545-R2568 CarbonylContact C-O 3.42Å; E2545-R2568 VanDerWaalsContact C-O 3.31Å; E2545-R2568 PolarHBondContact N-O 3.31Å; E2545-R2568 VanDerWaalsContact N-O 3.1Å; E2545-R2568 PolarHBondContact O-N 2.74Å; T2546-R2568 PolarHBondContact N-O 2.87Å; T2546-R2568 VanDerWaalsContact N-O 3.14Å; T2546-R2568 PolarHBondContact O-N 2.81Å; T2546-R2568 VanDerWaalsContact O-N 3.1Å
2569	A	43.8	Very low	37.2	Very low	54 Å²	54	109.8 Å²	109.8	45%	0.446	58%	0.582	S	S	.	*			trans	-113.5	158.5	-152.6	0	0	0	0	0	121.3	T2543 G2544 E2545	T2543-A2569 CarbonylContact C-O 3.59Å; G2544-A2569 CarbonylContact C-O 3.39Å; G2544-A2569 WeakPolarHBondContact CA-O 3.01Å; G2544-A2569 PolarHBondContact N-O 3.05Å; G2544-A2569 PolarHBondContact O-N 2.88Å; E2545-A2569 PolarHBondContact N-O 2.82Å
2570	R	34.7	Very low	37.5	Very low	198 Å²	198	106.2 Å²	106.2	75%	0.747	56%	0.562	S	S	*	*			trans	132.7	137	142.3	-87	-171	168.4	-167.9	-4.6	120
2571	L	38.9	Very low	36.9	Very low	144 Å²	144	104.3 Å²	104.3	75%	0.754	56%	0.558	S	S	*	*			trans	94.3	109	138.6	-77.4	162.7	0	0	0	123.6
2572	S	34.8	Very low	36.2	Very low	95 Å²	95	103.3 Å²	103.3	66%	0.664	54%	0.543	S	S	*	.			trans	70.1	129.7	132.6	65.3	0	0	0	0	124.8
2573	N	38.7	Very low	35.8	Very low	131 Å²	131	98.7 Å²	98.7	70%	0.701	53%	0.527	S	S	*	.			trans	78.1	132.6	142.7	-93.9	73.4	0	0	0	122
2574	D	33	Very low	35.2	Very low	149 Å²	149	99.4 Å²	99.4	80%	0.797	53%	0.529	S	S	*	.			trans	59	130.7	152.1	-42.1	-36.3	0	0	0	119.1
2575	G	44	Very low	35.3	Very low	66 Å²	66	97.2 Å²	97.2	68%	0.68	53%	0.526	S	S	*	.			cis	162.3	-177	-3.5	0	0	0	0	0	112.9
2576	V	40.1	Very low	35.4	Very low	125 Å²	125	94.8 Å²	94.8	76%	0.758	52%	0.516	S	S	*	.			trans	75.7	105.1	175.9	-168.2	0	0	0	0	116
2577	E	38.9	Very low	35.1	Very low	110 Å²	110	91.4 Å²	91.4	51%	0.514	50%	0.503	S	S	.	.			cis	170.5	166.7	-17.9	-97.3	143.6	-134.5	0	0	105.3	V1280	V1280-E2577 VanDerWaalsContact CG1-O 3.23Å; V1280-E2577 WeakPolarHBondContact CG1-O 3.5Å
2578	H	38.1	Very low	34.3	Very low	114 Å²	114	90 Å²	90	53%	0.528	49%	0.491	S	S	.	.			cis	-173.8	148.5	-6.6	-100	-45.4	0	0	0	104.7
2579	E	31.6	Very low	34.1	Very low	84 Å²	84	86.7 Å²	86.7	39%	0.393	49%	0.489	S	S	.	.			cis	-151.6	-147.2	-29.3	-57.3	-166.5	161.1	0	0	106.7	D1281 A1284	D1281-E2579 WeakPolarHBondContact CB-O 3.35Å; A1284-E2579 VanDerWaalsContact CB-C 3.48Å; A1284-E2579 WeakPolarHBondContact CB-O 3.12Å; A1284-E2579 PolarHBondContact N-O 3.43Å
2580	G	36.1	Very low	33.6	Very low	15 Å²	15	84.3 Å²	84.3	16%	0.155	47%	0.469	C	S	.	.			cis	-178.9	107.4	19.4	0	0	0	0	0	115.2	S1290	S1290-G2580 VanDerWaalsContact OG-C 3.27Å; S1290-G2580 WeakPolarHBondContact OG-CA 3.43Å; S1290-G2580 PolarHBondContact OG-N 2.98Å
2581	S	32.6	Very low	33.5	Very low	85 Å²	85	74.9 Å²	74.9	59%	0.594	43%	0.433	S	S	*	.			trans	85.7	144.6	149.9	72	0	0	0	0	124.2	L1288 T1289 S1290	L1288-S2581 CarbonylContact C-O 3.58Å; L1288-S2581 VanDerWaalsContact CA-O 3.31Å; L1288-S2581 WeakPolarHBondContact CA-O 3.15Å; T1289-S2581 VanDerWaalsContact CA-O 3.24Å; T1289-S2581 WeakPolarHBondContact CA-O 3.14Å; T1289-S2581 PolarHBondContact N-O 3.03Å; S1290-S2581 PolarHBondContact OG-N 3.05Å
2582	E	31.1	Very low	33	Very low	42 Å²	42	68 Å²	68	20%	0.196	40%	0.397	C	S	.	.			trans	-120.4	134.5	-145.8	-175.3	136.1	-118.3	0	0	118.2	Q1272 T1289 R1292	Q1272-E2582 WeakPolarHBondContact CB-OE2 3.44Å; Q1272-E2582 VanDerWaalsContact CD-OE2 3.25Å; Q1272-E2582 WeakPolarHBondContact CG-OE2 3.4Å; Q1272-E2582 PolarHBondContact NE2-OE2 3.4Å; T1289-E2582 WeakPolarHBondContact CB-OE1 3.13Å; T1289-E2582 HydrophobicContact CG2-CB 3.74Å; T1289-E2582 HydrophobicContact CG2-CG 4.04Å; T1289-E2582 VanDerWaalsContact CG2-OE1 3.28Å; T1289-E2582 WeakPolarHBondContact CG2-OE1 2.83Å; T1289-E2582 WeakPolarHBondContact OG1-CA 3.48Å; T1289-E2582 WeakPolarHBondContact OG1-CB 3.32Å; T1289-E2582 WeakPolarHBondContact OG1-CG 3.45Å; T1289-E2582 PolarHBondContact OG1-OE1 2.94Å; R1292-E2582 IonicContact CZ-OE1 2.87Å; R1292-E2582 IonicContact NE-OE1 2.69Å; R1292-E2582 PolarHBondContact NE-OE1 2.79Å; R1292-E2582 IonicContact NH2-OE1 3.72Å; R1292-E2582 PolarHBondContact NH2-OE1 3.24Å
2583	S	32.7	Very low	33.1	Very low	33 Å²	33	63.5 Å²	63.5	23%	0.231	37%	0.366	C	S	.	.			trans	65.3	153.2	146.9	72.7	0	0	0	0	122.5	S1516	S1516-S2583 WeakPolarHBondContact CB-OG 3.33Å
2584	V	31.3	Very low	32.5	Very low	25 Å²	25	61.2 Å²	61.2	15%	0.152	35%	0.352	C	S	.	.			trans	78	124.6	150	177	0	0	0	0	122.9	I1496 G1515 Y1517	I1496-V2584 HydrophobicContact CG2-CG1 3.55Å; G1515-V2584 VanDerWaalsContact O-CB 3.32Å; G1515-V2584 WeakPolarHBondContact O-CB 3.31Å; G1515-V2584 VanDerWaalsContact O-CG1 3.26Å; G1515-V2584 WeakPolarHBondContact O-CG1 3.08Å; Y1517-V2584 HydrophobicContact CD1-CB 3.85Å; Y1517-V2584 HydrophobicContact CD1-CG1 3.68Å; Y1517-V2584 HydrophobicContact CD1-CG2 3.02Å; Y1517-V2584 HydrophobicContact CE1-CB 4.42Å; Y1517-V2584 HydrophobicContact CE1-CG2 3.4Å; Y1517-V2584 VanDerWaalsContact CE1-CG2 3.4Å; Y1517-V2584 HydrophobicContact CG-CG1 4.25Å; Y1517-V2584 HydrophobicContact CG-CG2 3.68Å; Y1517-V2584 VanDerWaalsContact N-CG2 3.28Å
2585	I	28.8	Very low	32.1	Very low	83 Å²	83	54.9 Å²	54.9	43%	0.426	32%	0.319	S	S	.	.			trans	-171	129.8	160.6	-133.6	73.3	0	0	0	115.8	P1494 D1495 I1496 P1498	P1494-I2585 HydrophobicContact CB-CG1 3.94Å; P1494-I2585 HydrophobicContact CG-CG1 4.29Å; D1495-I2585 WeakPolarHBondContact O-CG1 3.1Å; I1496-I2585 HydrophobicContact CD1-CD1 4.04Å; I1496-I2585 HydrophobicContact CG1-CD1 3.77Å; P1498-I2585 WeakPolarHBondContact CA-O 3.45Å
2586	F	26	Very low	31.2	Very low	51 Å²	51	52.1 Å²	52.1	22%	0.224	29%	0.291	C	S	.	.	B	Isolated β-bridge	trans	-166.8	-174	-175.5	-170.2	39.3	0	0	0	117.4	D1495 I1496 C1497 P1498 S1499 D2588	D1495-F2586 CarbonylContact C-O 3.52Å; D1495-F2586 WeakPolarHBondContact CA-O 2.95Å; D1495-F2586 WeakPolarHBondContact CB-O 3.37Å; D1495-F2586 PolarHBondContact N-O 2.93Å; D1495-F2586 PolarHBondContact O-N 2.81Å; I1496-F2586 PolarHBondContact N-O 3.04Å; C1497-F2586 WeakPolarHBondContact O-CB 3.23Å; C1497-F2586 WeakPolarHBondContact O-CD2 3.26Å; C1497-F2586 WeakPolarHBondContact O-CG 2.95Å; P1498-F2586 VanDerWaalsContact CA-CB 3.5Å; S1499-F2586 VanDerWaalsContact CA-CD1 3.46Å; S1499-F2586 VanDerWaalsContact N-CD1 3.34Å; S1499-F2586 WeakPolarHBondContact OG-CD1 3.06Å; S1499-F2586 WeakPolarHBondContact OG-CE1 3.49Å; F2586-D2588 VanDerWaalsContact C-N 3.3Å; F2586-D2588 CarbonylContact C-O 3.39Å; F2586-D2588 PolarHBondContact O-N 2.62Å; F2586-D2588 VanDerWaalsContact O-N 3.08Å
2587	S	26.8	Very low	30.5	Very low	51 Å²	51	52.9 Å²	52.9	36%	0.357	28%	0.28	S	S	.	.	S	Bend	trans	37.3	58	162.5	68.5	0	0	0	0	111.1	D1495	D1495-S2587 WeakPolarHBondContact CB-O 2.98Å
2588	D	24.5	Very low	30.1	Very low	63 Å²	63	48.7 Å²	48.7	34%	0.337	26%	0.262	S	S	.	.	S	Bend	cis	-109.3	159.5	48.1	-67.6	-34.2	0	0	0	116.8	F2586 H2590 S2598	F2586-D2588 VanDerWaalsContact C-N 3.3Å; F2586-D2588 CarbonylContact C-O 3.39Å; F2586-D2588 PolarHBondContact O-N 2.62Å; F2586-D2588 VanDerWaalsContact O-N 3.08Å; D2588-H2590 HydrophobicContact CB-CB 3.31Å; D2588-H2590 PolarHBondContact O-N 3.47Å; D2588-H2590 VanDerWaalsContact O-O 3.08Å; D2588-S2598 WeakPolarHBondContact OD2-CB 3.27Å; D2588-S2598 PolarHBondContact OD2-OG 3.09Å
2589	V	30.5	Very low	29.5	Very low	103 Å²	103	45.2 Å²	45.2	62%	0.624	25%	0.246	S	C	*	.	S	Bend	trans	-66.6	78.4	148.8	67.7	0	0	0	0	105.2	D1479 Q1480	D1479-V2589 CarbonylContact C-O 3.5Å; D1479-V2589 VanDerWaalsContact C-O 3.26Å; D1479-V2589 CarbonylContact O-C 2.98Å; Q1480-V2589 WeakPolarHBondContact CA-O 3.35Å; Q1480-V2589 HydrophobicContact CB-CG1 4.03Å; Q1480-V2589 WeakPolarHBondContact CB-O 3.42Å; Q1480-V2589 HydrophobicContact CG-CG1 4.08Å; Q1480-V2589 WeakPolarHBondContact CG-O 3.36Å; Q1480-V2589 PolarHBondContact N-O 2.96Å
2590	H	32.1	Very low	29.2	Very low	3 Å²	3	44.3 Å²	44.3	1%	0.014	24%	0.244	C	C	.	.			trans	175.9	179.3	-166.8	-136.2	15.2	0	0	0	105	I1478 D1479 Q1480 S1481 I1490 C1491 D2588	I1478-H2590 WeakPolarHBondContact CG1-O 3.37Å; I1478-H2590 CarbonylContact O-C 3.58Å; I1478-H2590 PolarHBondContact O-ND1 2.78Å; D1479-H2590 VanDerWaalsContact C-CA 3.48Å; D1479-H2590 VanDerWaalsContact C-ND1 3.34Å; D1479-H2590 WeakPolarHBondContact O-CA 3Å; D1479-H2590 PolarHBondContact O-N 3.18Å; Q1480-H2590 HydrophobicContact CG-CB 4.12Å; Q1480-H2590 PolarHBondContact N-CE1 2.97Å; Q1480-H2590 PolarHBondContact N-ND1 2.75Å; S1481-H2590 PolarHBondContact N-CE1 2.78Å; S1481-H2590 PolarHBondContact N-NE2 2.72Å; I1490-H2590 PolarHBondContact O-CE1 2.96Å; I1490-H2590 PolarHBondContact O-NE2 2.67Å; C1491-H2590 WeakPolarHBondContact CA-CE1 3.21Å; C1491-H2590 VanDerWaalsContact CB-CE1 3.43Å; C1491-H2590 WeakPolarHBondContact CB-CE1 3.09Å; C1491-H2590 WeakPolarHBondContact CB-ND1 3.42Å; D2588-H2590 HydrophobicContact CB-CB 3.31Å; D2588-H2590 PolarHBondContact O-N 3.47Å; D2588-H2590 VanDerWaalsContact O-O 3.08Å
2591	A	32.9	Very low	29	Very low	0 Å²	0	47.1 Å²	47.1	0%	0	25%	0.253	C	S	.	.	B	Isolated β-bridge	cis	-159.4	132.1	19.8	0	0	0	0	0	110.9	F1477 I1478 S1492 K1493 P1494	F1477-A2591 VanDerWaalsContact C-C 3.41Å; F1477-A2591 CarbonylContact C-O 3.24Å; F1477-A2591 WeakPolarHBondContact CA-O 3.49Å; F1477-A2591 WeakPolarHBondContact CB-O 3.44Å; I1478-A2591 PolarHBondContact N-O 2.88Å; I1478-A2591 CarbonylContact O-C 3.09Å; I1478-A2591 WeakPolarHBondContact O-CA 3.06Å; I1478-A2591 PolarHBondContact O-N 2.95Å; I1478-A2591 VanDerWaalsContact O-N 3.14Å; S1492-A2591 VanDerWaalsContact N-CA 3.35Å; S1492-A2591 VanDerWaalsContact OG-CB 3.29Å; S1492-A2591 WeakPolarHBondContact OG-CB 3.48Å; K1493-A2591 VanDerWaalsContact C-CB 3.42Å; K1493-A2591 CarbonylContact C-O 3.04Å; K1493-A2591 WeakPolarHBondContact CA-O 3.03Å; K1493-A2591 PolarHBondContact N-O 3.43Å; K1493-A2591 VanDerWaalsContact O-CB 3.25Å; K1493-A2591 WeakPolarHBondContact O-CB 3.04Å; P1494-A2591 WeakPolarHBondContact CD-O 3.04Å
2592	G	27.7	Very low	29.4	Very low	0 Å²	0	45.1 Å²	45.1	0%	0	25%	0.246	C	C	.	.			trans	124.9	134.6	138.3	0	0	0	0	0	121.6	F1477 I1478 M2594 P2595	F1477-G2592 VanDerWaalsContact C-N 3.33Å; F1477-G2592 CarbonylContact C-O 3.39Å; F1477-G2592 WeakPolarHBondContact CA-O 3.28Å; F1477-G2592 VanDerWaalsContact CB-C 3.45Å; F1477-G2592 VanDerWaalsContact CB-CA 3.48Å; F1477-G2592 WeakPolarHBondContact CB-O 3.27Å; F1477-G2592 WeakPolarHBondContact CD2-O 3.32Å; F1477-G2592 WeakPolarHBondContact CG-O 3.49Å; I1478-G2592 PolarHBondContact O-N 3.43Å; G2592-M2594 WeakPolarHBondContact CA-O 3.4Å; G2592-P2595 VanDerWaalsContact C-CD 3.45Å; G2592-P2595 WeakPolarHBondContact O-CD 3.22Å
2593	L	38.6	Very low	30	Very low	1 Å²	1	46 Å²	46	1%	0.005	26%	0.255	C	S	.	.	S	Bend	cis	61.8	28.6	-27.7	-128.3	158.5	0	0	0	120.6	S1457 N1459 A1460 C1471 C1473 G1488 C1491	S1457-L2593 WeakPolarHBondContact CB-O 3.14Å; S1457-L2593 VanDerWaalsContact O-CD2 3.32Å; S1457-L2593 WeakPolarHBondContact O-CD2 3.36Å; N1459-L2593 WeakPolarHBondContact O-CA 2.99Å; N1459-L2593 PolarHBondContact O-N 2.8Å; A1460-L2593 VanDerWaalsContact CA-CG 3.49Å; A1460-L2593 HydrophobicContact CB-CD1 3.37Å; A1460-L2593 HydrophobicContact CB-CD2 3.56Å; A1460-L2593 HydrophobicContact CB-CG 3.37Å; C1471-L2593 HydrophobicContact CB-CD1 4.3Å; C1473-L2593 HydrophobicContact CB-CB 3.7Å; C1473-L2593 HydrophobicContact CB-CD1 4.07Å; C1473-L2593 HydrophobicContact CB-CG 4.4Å; G1488-L2593 WeakPolarHBondContact O-CD1 3.47Å; G1488-L2593 WeakPolarHBondContact O-CD2 3.37Å; C1491-L2593 CarbonylContact C-O 3.27Å; C1491-L2593 HydrophobicContact CB-CB 3.4Å; C1491-L2593 VanDerWaalsContact CB-CB 3.4Å; C1491-L2593 PolarHBondContact N-O 3.49Å; C1491-L2593 CarbonylContact O-C 3.59Å; C1491-L2593 WeakPolarHBondContact SG-CB 3.03Å
2594	M	24.7	Very low	30.1	Very low	83 Å²	83	47.5 Å²	47.5	41%	0.409	26%	0.255	S	S	.	.	S	Bend	cis	-102.5	143.3	18.4	44.3	169.6	154.7	0	0	111.8	N1459 C1491 S1492 K1493 G2592 G2596	N1459-M2594 HydrophobicContact CB-CB 4.21Å; N1459-M2594 VanDerWaalsContact CG-CB 3.41Å; N1459-M2594 WeakPolarHBondContact ND2-CB 3.18Å; C1491-M2594 PolarHBondContact O-N 2.76Å; S1492-M2594 CarbonylContact C-O 3.33Å; S1492-M2594 VanDerWaalsContact C-O 3.23Å; S1492-M2594 WeakPolarHBondContact CA-O 3.02Å; S1492-M2594 PolarHBondContact N-O 3.37Å; K1493-M2594 PolarHBondContact N-O 3.42Å; G2592-M2594 WeakPolarHBondContact CA-O 3.4Å; M2594-G2596 WeakPolarHBondContact O-CA 3.22Å; M2594-G2596 PolarHBondContact O-N 3.29Å
2595	P	24.5	Very low	30.2	Very low	16 Å²	16	52.9 Å²	52.9	10%	0.104	27%	0.274	C	S	.	.	S	Bend	trans	-44.7	70.1	154.3	0.4	0.1	0	0	0	108.7	K549 F1477 K1493 G2592	K549-P2595 WeakPolarHBondContact CD-O 3.47Å; F1477-P2595 HydrophobicContact CB-CB 2.98Å; F1477-P2595 HydrophobicContact CB-CG 3.42Å; F1477-P2595 VanDerWaalsContact CB-CG 3.42Å; F1477-P2595 HydrophobicContact CD1-CB 2.31Å; F1477-P2595 HydrophobicContact CD1-CG 2.14Å; F1477-P2595 VanDerWaalsContact CD1-O 3.28Å; F1477-P2595 WeakPolarHBondContact CD1-O 3.48Å; F1477-P2595 HydrophobicContact CD2-CB 3.58Å; F1477-P2595 HydrophobicContact CD2-CG 2.43Å; F1477-P2595 HydrophobicContact CE1-CB 3.53Å; F1477-P2595 HydrophobicContact CE1-CG 2.47Å; F1477-P2595 HydrophobicContact CE2-CB 4.23Å; F1477-P2595 HydrophobicContact CE2-CG 2.55Å; F1477-P2595 HydrophobicContact CG-CB 2.36Å; F1477-P2595 HydrophobicContact CG-CG 2.15Å; F1477-P2595 HydrophobicContact CZ-CB 4.21Å; F1477-P2595 HydrophobicContact CZ-CG 2.56Å; K1493-P2595 VanDerWaalsContact CB-C 3.44Å; K1493-P2595 HydrophobicContact CB-CB 4.11Å; K1493-P2595 HydrophobicContact CD-CB 3.54Å; K1493-P2595 HydrophobicContact CG-CB 3.58Å; G2592-P2595 VanDerWaalsContact C-CD 3.45Å; G2592-P2595 WeakPolarHBondContact O-CD 3.22Å
2596	G	26.6	Very low	30.9	Very low	8 Å²	8	51.4 Å²	51.4	8%	0.082	27%	0.269	C	S	.	.			trans	-123.3	-108.4	-162.9	0	0	0	0	0	117	K549 S1492 M2594	K549-G2596 WeakPolarHBondContact CD-O 3.08Å; K549-G2596 VanDerWaalsContact CE-O 3.27Å; K549-G2596 WeakPolarHBondContact CE-O 3.11Å; K549-G2596 PolarHBondContact NZ-O 3.04Å; S1492-G2596 CarbonylContact O-C 3.4Å; S1492-G2596 PolarHBondContact O-N 2.72Å; M2594-G2596 WeakPolarHBondContact O-CA 3.22Å; M2594-G2596 PolarHBondContact O-N 3.29Å
2597	R	25.4	Very low	31.1	Very low	140 Å²	140	50.9 Å²	50.9	53%	0.528	27%	0.271	S	S	.	.	S	Bend	trans	-142.6	127.1	172.8	-84.7	162.3	157.2	175.5	-14.4	115.8	L547 S1492	L547-R2597 VanDerWaalsContact O-CZ 3.3Å; L547-R2597 PolarHBondContact O-NH1 3.05Å; S1492-R2597 WeakPolarHBondContact CB-O 3.35Å; S1492-R2597 CarbonylContact O-C 3.07Å; S1492-R2597 WeakPolarHBondContact O-CA 3.11Å; S1492-R2597 PolarHBondContact O-N 2.86Å; S1492-R2597 PolarHBondContact OG-O 2.53Å
2598	S	29.9	Very low	31.4	Very low	22 Å²	22	50.4 Å²	50.4	15%	0.154	27%	0.27	C	S	.	.	S	Bend	cis	-49.3	128.4	31.1	55.6	0	0	0	0	116.1	S1492 K1493 D2588	S1492-S2598 PolarHBondContact O-N 3.27Å; S1492-S2598 VanDerWaalsContact O-O 3.09Å; S1492-S2598 PolarHBondContact OG-N 2.83Å; S1492-S2598 VanDerWaalsContact OG-N 3.09Å; K1493-S2598 PolarHBondContact O-OG 3Å; D2588-S2598 WeakPolarHBondContact OD2-CB 3.27Å; D2588-S2598 PolarHBondContact OD2-OG 3.09Å
2599	Q	24.3	Very low	31.6	Very low	41 Å²	41	54.2 Å²	54.2	19%	0.192	29%	0.291	C	S	.	.			trans	-166.4	125.9	142.4	-111.9	-160.6	-20	0	0	111.5	K549 P1494 D1495	K549-Q2599 VanDerWaalsContact NZ-CD 3.33Å; P1494-Q2599 WeakPolarHBondContact O-CG 3.35Å; P1494-Q2599 PolarHBondContact O-NE2 2.87Å; D1495-Q2599 HydrophobicContact CB-CG 4.32Å; D1495-Q2599 VanDerWaalsContact CG-CA 3.48Å; D1495-Q2599 WeakPolarHBondContact OD2-CA 2.89Å; D1495-Q2599 PolarHBondContact OD2-N 3.06Å
2600	L	25.7	Very low	31.6	Very low	65 Å²	65	50.6 Å²	50.6	34%	0.34	27%	0.272	S	S	.	.			trans	75.7	136.4	150	-53.2	167.9	0	0	0	114.6	D1495 I1496	D1495-L2600 VanDerWaalsContact CG-N 3.27Å; D1495-L2600 WeakPolarHBondContact OD1-CD2 3.14Å; D1495-L2600 PolarHBondContact OD1-N 2.8Å; D1495-L2600 PolarHBondContact OD2-N 3.29Å; I1496-L2600 HydrophobicContact CB-CD2 4.04Å; I1496-L2600 HydrophobicContact CD1-CD2 4.07Å; I1496-L2600 HydrophobicContact CG1-CD2 3.95Å
2601	Q	32.1	Very low	31.6	Very low	74 Å²	74	52 Å²	52	35%	0.346	28%	0.284	S	S	.	.			cis	-162.4	131.2	10.1	-141	163.1	14.5	0	0	112.3	P1511 L1512 T2603	P1511-Q2601 HydrophobicContact CB-CG 3.86Å; P1511-Q2601 HydrophobicContact CG-CG 3.79Å; L1512-Q2601 VanDerWaalsContact C-NE2 3.27Å; L1512-Q2601 PolarHBondContact O-NE2 3.36Å; Q2601-T2603 HydrophobicContact CB-CG2 3.52Å; Q2601-T2603 HydrophobicContact CG-CG2 3.82Å; Q2601-T2603 WeakPolarHBondContact O-CG2 3.39Å
2602	G	40.4	Very low	31.3	Very low	44 Å²	44	53.3 Å²	53.3	45%	0.454	29%	0.293	S	S	.	.			trans	34	-127.9	135.9	0	0	0	0	0	122.7
2603	T	45.3	Very low	31.3	Very low	61 Å²	61	53.3 Å²	53.3	37%	0.374	29%	0.293	S	S	.	.			cis	-153.4	131.6	29.3	53	0	0	0	0	116.8	E1510 Q2601	E1510-T2603 VanDerWaalsContact CB-C 3.47Å; E1510-T2603 PolarHBondContact OE2-N 3.42Å; E1510-T2603 VanDerWaalsContact OE2-O 3.05Å; Q2601-T2603 HydrophobicContact CB-CG2 3.52Å; Q2601-T2603 HydrophobicContact CG-CG2 3.82Å; Q2601-T2603 WeakPolarHBondContact O-CG2 3.39Å
2604	R	34.9	Very low	30.8	Very low	63 Å²	63	53.8 Å²	53.8	24%	0.238	30%	0.297	C	S	.	.			trans	-156.6	141.4	157	-98.1	123.8	178.6	-79.6	-20.6	107.8	D1269 E1510 P1511 L1512 T1518	D1269-R2604 IonicContact OD1-NH1 2.87Å; D1269-R2604 PolarHBondContact OD1-NH1 3.15Å; D1269-R2604 WeakPolarHBondContact OD2-CB 3.47Å; D1269-R2604 VanDerWaalsContact OD2-CD 3.22Å; D1269-R2604 WeakPolarHBondContact OD2-CD 3.2Å; D1269-R2604 WeakPolarHBondContact OD2-CG 3.39Å; D1269-R2604 IonicContact OD2-CZ 3.26Å; D1269-R2604 IonicContact OD2-NE 2.77Å; D1269-R2604 IonicContact OD2-NH1 2.85Å; D1269-R2604 PolarHBondContact OD2-NH1 3.41Å; E1510-R2604 HydrophobicContact CB-CB 4.17Å; E1510-R2604 PolarHBondContact O-N 3.14Å; E1510-R2604 WeakPolarHBondContact OE1-CD 3.11Å; E1510-R2604 IonicContact OE1-NE 3.16Å; P1511-R2604 CarbonylContact C-O 2.7Å; P1511-R2604 CarbonylContact O-C 3.39Å; P1511-R2604 PolarHBondContact O-N 2.95Å; L1512-R2604 WeakPolarHBondContact CG-O 3.33Å; L1512-R2604 PolarHBondContact N-O 2.69Å; T1518-R2604 HydrophobicContact CG2-CB 4.06Å; T1518-R2604 WeakPolarHBondContact OG1-CB 3.08Å
2605	Y	33.2	Very low	31.1	Very low	139 Å²	139	49.9 Å²	49.9	55%	0.545	28%	0.277	S	S	.	.			cis	57.3	79.6	27.5	-61.2	-70.9	0	0	0	112.2	L1512 P1513	L1512-Y2605 HydrophobicContact CD2-CD1 4.11Å; L1512-Y2605 HydrophobicContact CD2-CG 4.39Å; P1513-Y2605 HydrophobicContact CG-CE1 3.72Å; P1513-Y2605 HydrophobicContact CG-CE2 4Å; P1513-Y2605 WeakPolarHBondContact CG-OH 3.19Å
2606	T	42.4	Very low	31.5	Very low	51 Å²	51	50.7 Å²	50.7	31%	0.313	28%	0.28	S	S	.	.			cis	-139.8	141.2	49.3	53.3	0	0	0	0	114.2	T1518	T1518-T2606 VanDerWaalsContact CG2-N 3.34Å; T1518-T2606 WeakPolarHBondContact CG2-O 3.29Å
2607	S	31.2	Very low	31.8	Very low	40 Å²	40	54.7 Å²	54.7	28%	0.28	29%	0.293	S	S	.	.			cis	63.8	127.1	44.1	78.2	0	0	0	0	113.7	L1512 E1514	L1512-S2607 VanDerWaalsContact CD1-N 3.29Å; E1514-S2607 VanDerWaalsContact OE2-CB 3.27Å; E1514-S2607 WeakPolarHBondContact OE2-CB 3.21Å
2608	A	32.4	Very low	32.1	Very low	41 Å²	41	48.2 Å²	48.2	34%	0.339	27%	0.269	S	S	.	.			cis	-174.9	166.7	-1.9	0	0	0	0	0	109.3	Q1272 E1514	Q1272-A2608 PolarHBondContact OE1-O 2.62Å; Q1272-A2608 VanDerWaalsContact OE1-O 3.14Å; E1514-A2608 WeakPolarHBondContact OE2-CB 3.48Å
2609	D	29.8	Very low	32.1	Very low	144 Å²	144	48.9 Å²	48.9	77%	0.77	27%	0.271	S	S	*	.			trans	43.4	79.5	151.3	-62.9	-8.2	0	0	0	119.5
2610	A	29.9	Very low	32.4	Very low	27 Å²	27	47 Å²	47	22%	0.223	26%	0.262	C	S	.	.			trans	-116.4	21.9	162.5	0	0	0	0	0	112	Q1272 R1274	Q1272-A2610 HydrophobicContact CG-CB 3.98Å; Q1272-A2610 VanDerWaalsContact OE1-CB 3.22Å; R1274-A2610 WeakPolarHBondContact CB-O 3.2Å; R1274-A2610 VanDerWaalsContact CD-O 3.29Å; R1274-A2610 WeakPolarHBondContact CD-O 3.47Å; R1274-A2610 WeakPolarHBondContact CG-O 3.43Å; R1274-A2610 PolarHBondContact NH1-O 2.87Å
2611	A	31.1	Very low	32.7	Very low	33 Å²	33	44.1 Å²	44.1	27%	0.273	25%	0.247	S	C	.	.			trans	-42.1	146.9	-168.7	0	0	0	0	0	116.6	R1274	R1274-A2611 PolarHBondContact NH1-O 2.86Å; R1274-A2611 PolarHBondContact NH2-O 3.31Å
2612	S	26.8	Very low	32.6	Very low	27 Å²	27	44.7 Å²	44.7	19%	0.189	25%	0.247	C	C	.	.			trans	83.7	81.1	165.3	68	0	0	0	0	115.5	R1274 D1281 S1290	R1274-S2612 VanDerWaalsContact CG-C 3.4Å; R1274-S2612 PolarHBondContact NE-O 2.92Å; R1274-S2612 VanDerWaalsContact NE-O 3.17Å; R1274-S2612 PolarHBondContact NH2-O 3.06Å; R1274-S2612 PolarHBondContact NH2-OG 3.14Å; D1281-S2612 WeakPolarHBondContact OD2-CA 3.3Å; S1290-S2612 PolarHBondContact O-N 2.92Å
2613	G	28.9	Very low	32.4	Very low	0 Å²	0	45.9 Å²	45.9	0%	0	24%	0.241	C	C	.	.				-141.9	159.7	109.5	0	0	0	0	0	111	R1274 C1275 D1281 S1290 G1291	R1274-G2613 VanDerWaalsContact CG-N 3.32Å; C1275-G2613 WeakPolarHBondContact CB-O 3.33Å; C1275-G2613 PolarHBondContact N-O 2.9Å; C1275-G2613 WeakPolarHBondContact O-CA 3.03Å; C1275-G2613 PolarHBondContact SG-O 3.29Å; D1281-G2613 VanDerWaalsContact CG-C 3.41Å; D1281-G2613 VanDerWaalsContact OD2-C 3.31Å; S1290-G2613 CarbonylContact C-O 3.5Å; S1290-G2613 PolarHBondContact O-N 3Å; S1290-G2613 VanDerWaalsContact O-N 3.13Å; G1291-G2613 WeakPolarHBondContact CA-O 3.09Å; G1291-G2613 PolarHBondContact N-O 3.33Å
2614	S	27.5	Very low	31.9	Very low	11 Å²	11	48.6 Å²	48.6	8%	0.077	25%	0.249	C	C	.	.			cis	111.7	82.6	20.5	79.9	0	0	0	0	116.6	C1275 K1276 F1279 V1280 D1281	C1275-S2614 WeakPolarHBondContact CB-O 3.09Å; K1276-S2614 PolarHBondContact O-OG 3.01Å; F1279-S2614 WeakPolarHBondContact CB-O 3.37Å; F1279-S2614 WeakPolarHBondContact CD1-O 3.35Å; F1279-S2614 VanDerWaalsContact O-CB 3.27Å; F1279-S2614 WeakPolarHBondContact O-CB 2.97Å; F1279-S2614 PolarHBondContact O-OG 3.34Å; V1280-S2614 VanDerWaalsContact C-CB 3.49Å; V1280-S2614 CarbonylContact O-C 3.31Å; V1280-S2614 WeakPolarHBondContact O-CA 3.5Å; D1281-S2614 PolarHBondContact OD1-N 3.07Å
2615	S	29.9	Very low	32.1	Very low	0 Å²	0	50.3 Å²	50.3	0%	0	26%	0.26	C	S	.	.	B	Isolated β-bridge		-174.9	83.7	122.8	57.1	0	0	0	0	113.3	F1279 V1280 C1294 H1295 Y2617	F1279-S2615 WeakPolarHBondContact CD1-OG 2.96Å; F1279-S2615 WeakPolarHBondContact CE1-OG 3.29Å; V1280-S2615 CarbonylContact O-C 3.36Å; V1280-S2615 WeakPolarHBondContact O-CA 3.13Å; V1280-S2615 PolarHBondContact O-N 3.02Å; C1294-S2615 CarbonylContact C-O 3.33Å; C1294-S2615 WeakPolarHBondContact CA-O 3.18Å; C1294-S2615 VanDerWaalsContact CA-OG 3.26Å; C1294-S2615 WeakPolarHBondContact CA-OG 3.43Å; C1294-S2615 WeakPolarHBondContact CB-OG 3.33Å; C1294-S2615 PolarHBondContact O-OG 3.13Å; C1294-S2615 VanDerWaalsContact O-OG 3.06Å; H1295-S2615 PolarHBondContact CD2-O 3.4Å; H1295-S2615 PolarHBondContact N-O 2.88Å; H1295-S2615 PolarHBondContact N-OG 3.02Å; H1295-S2615 WeakPolarHBondContact O-CB 3.11Å; H1295-S2615 PolarHBondContact O-OG 2.76Å; S2615-Y2617 PolarHBondContact O-N 3.28Å
2616	E	34.1	Very low	32.3	Very low	34 Å²	34	48 Å²	48	16%	0.159	26%	0.256	C	S	.	.	B	Isolated β-bridge		-32.1	90.6	98.8	-64.5	-173.2	178.6	0	0	108.6	V1280 I1282 F1320	V1280-E2616 HydrophobicContact CB-CB 3.89Å; V1280-E2616 HydrophobicContact CG2-CB 4.4Å; V1280-E2616 WeakPolarHBondContact CG2-O 3.38Å; V1280-E2616 PolarHBondContact N-O 2.61Å; V1280-E2616 WeakPolarHBondContact O-CA 3.06Å; V1280-E2616 WeakPolarHBondContact O-CB 3.33Å; V1280-E2616 PolarHBondContact O-N 3.02Å; I1282-E2616 HydrophobicContact CB-CG 3.95Å; I1282-E2616 HydrophobicContact CG1-CB 4.43Å; I1282-E2616 HydrophobicContact CG1-CG 3.74Å; I1282-E2616 VanDerWaalsContact CG1-N 3.34Å; I1282-E2616 HydrophobicContact CG2-CG 3.79Å; F1320-E2616 HydrophobicContact CD1-CB 3.94Å; F1320-E2616 HydrophobicContact CD1-CG 3.84Å; F1320-E2616 HydrophobicContact CE1-CB 3.5Å; F1320-E2616 VanDerWaalsContact CE1-CB 3.5Å; F1320-E2616 HydrophobicContact CE1-CG 3.28Å; F1320-E2616 HydrophobicContact CZ-CB 4.49Å; F1320-E2616 VanDerWaalsContact CZ-CD 3.43Å; F1320-E2616 HydrophobicContact CZ-CG 3.89Å
2617	Y	32.3	Very low	32.3	Very low	92 Å²	92	53.1 Å²	53.1	36%	0.361	28%	0.28	S	S	.	.			trans	-157.9	92.9	134.8	-100.8	-168.2	0	0	0	104.4	V1280 H1295 K1296 P1297 S2615	V1280-Y2617 HydrophobicContact CG2-CD2 3.72Å; V1280-Y2617 HydrophobicContact CG2-CE2 3.53Å; V1280-Y2617 HydrophobicContact CG2-CG 4.36Å; H1295-Y2617 CarbonylContact C-O 3.53Å; H1295-Y2617 VanDerWaalsContact C-O 3.32Å; K1296-Y2617 CarbonylContact C-O 3.53Å; K1296-Y2617 PolarHBondContact N-O 2.79Å; K1296-Y2617 VanDerWaalsContact O-O 3.11Å; P1297-Y2617 HydrophobicContact CB-CD1 4.29Å; P1297-Y2617 VanDerWaalsContact N-O 3.11Å; S2615-Y2617 PolarHBondContact O-N 3.28Å
2618	S	31.3	Very low	32.7	Very low	3 Å²	3	55.7 Å²	55.7	2%	0.021	29%	0.286	C	S	.	.				69.6	167	73.1	90.7	0	0	0	0	109.6	H1295 P1297 T1298 L1319	H1295-S2618 PolarHBondContact NE2-N 2.67Å; P1297-S2618 CarbonylContact C-O 3.6Å; P1297-S2618 WeakPolarHBondContact CA-O 3.27Å; T1298-S2618 PolarHBondContact N-O 2.54Å; T1298-S2618 CarbonylContact O-C 3.47Å; L1319-S2618 WeakPolarHBondContact O-CA 3.43Å; L1319-S2618 WeakPolarHBondContact O-CB 3.36Å
2619	D	30.1	Very low	32.8	Very low	37 Å²	37	59.7 Å²	59.7	20%	0.198	30%	0.296	C	S	.	.			cis	-70.4	-119.6	-30.3	-77.2	-116	0	0	0	102.6	H1295 T1298 D1318 L1319 F1320 G1321	H1295-D2619 PolarHBondContact NE2-O 3.08Å; T1298-D2619 PolarHBondContact O-N 2.63Å; D1318-D2619 CarbonylContact O-C 3.59Å; L1319-D2619 VanDerWaalsContact CA-OD1 3.26Å; L1319-D2619 WeakPolarHBondContact CA-OD1 3.39Å; L1319-D2619 WeakPolarHBondContact CG-OD1 3.42Å; L1319-D2619 PolarHBondContact N-OD1 2.75Å; F1320-D2619 CarbonylContact C-O 3.43Å; F1320-D2619 VanDerWaalsContact C-O 3.22Å; G1321-D2619 VanDerWaalsContact CA-O 3.28Å; G1321-D2619 WeakPolarHBondContact CA-O 3.46Å; G1321-D2619 PolarHBondContact N-O 2.78Å
2620	S	31.6	Very low	33.6	Very low	0 Å²	0	59 Å²	59	0%	0	30%	0.297	C	S	.	.			cis	-153.1	119.8	-18.5	24	0	0	0	0	102.8	T1298 D1299 E1300 D1318 G1321 Y1322	T1298-S2620 PolarHBondContact O-OG 3.06Å; D1299-S2620 VanDerWaalsContact CA-OG 3.23Å; D1299-S2620 WeakPolarHBondContact CA-OG 3.45Å; E1300-S2620 PolarHBondContact N-OG 3.1Å; E1300-S2620 PolarHBondContact OE2-N 3.32Å; E1300-S2620 PolarHBondContact OE2-OG 2.82Å; D1318-S2620 CarbonylContact O-C 3.59Å; D1318-S2620 WeakPolarHBondContact O-CA 3.41Å; D1318-S2620 PolarHBondContact O-N 3.22Å; G1321-S2620 VanDerWaalsContact C-C 3.44Å; G1321-S2620 CarbonylContact C-O 3.44Å; G1321-S2620 CarbonylContact O-C 3.37Å; Y1322-S2620 WeakPolarHBondContact CA-O 3.38Å; Y1322-S2620 WeakPolarHBondContact CB-O 3.3Å; Y1322-S2620 PolarHBondContact N-O 2.84Å; Y1322-S2620 VanDerWaalsContact N-O 3.11Å
2621	S	31.6	Very low	34.5	Very low	5 Å²	5	65.1 Å²	65.1	4%	0.035	32%	0.319	C	S	.	.				-162.4	137.5	102.6	-70.2	0	0	0	0	110	C1301 L1316 D1318 G1321 Y1322 R1323 E2623	C1301-S2621 PolarHBondContact SG-OG 2.02Å; L1316-S2621 VanDerWaalsContact C-CA 3.44Å; L1316-S2621 VanDerWaalsContact O-CA 3.28Å; L1316-S2621 WeakPolarHBondContact O-CA 3.4Å; L1316-S2621 WeakPolarHBondContact O-CB 3.1Å; L1316-S2621 PolarHBondContact O-OG 3.42Å; D1318-S2621 VanDerWaalsContact N-CA 3.34Å; D1318-S2621 PolarHBondContact O-N 3.41Å; G1321-S2621 PolarHBondContact O-N 3.5Å; Y1322-S2621 WeakPolarHBondContact CA-OG 3.06Å; Y1322-S2621 WeakPolarHBondContact CB-OG 3.45Å; R1323-S2621 WeakPolarHBondContact CG-O 2.88Å; R1323-S2621 WeakPolarHBondContact O-CB 3.29Å; S2621-E2623 PolarHBondContact O-N 3.45Å
2622	Y	31.1	Very low	35.4	Very low	87 Å²	87	69.6 Å²	69.6	34%	0.341	34%	0.342	S	S	.	.			trans	-50.9	126.7	170.9	-19.9	123.8	0	0	0	106.7	L1316 D1317 D1318 R1323	L1316-Y2622 HydrophobicContact CB-CD1 3.34Å; L1316-Y2622 HydrophobicContact CB-CE1 4.08Å; L1316-Y2622 HydrophobicContact CB-CG 3.66Å; L1316-Y2622 WeakPolarHBondContact CB-O 3.35Å; L1316-Y2622 HydrophobicContact CD1-CD1 4.1Å; L1316-Y2622 VanDerWaalsContact CD1-O 3.22Å; L1316-Y2622 WeakPolarHBondContact CD1-O 3.11Å; L1316-Y2622 HydrophobicContact CD2-CD1 3.66Å; L1316-Y2622 HydrophobicContact CD2-CE1 4Å; L1316-Y2622 HydrophobicContact CG-CD1 3.83Å; L1316-Y2622 HydrophobicContact CG-CG 4.5Å; D1317-Y2622 VanDerWaalsContact CA-CD2 3.45Å; D1317-Y2622 HydrophobicContact CB-CD2 4.13Å; D1317-Y2622 HydrophobicContact CB-CE1 4.35Å; D1317-Y2622 HydrophobicContact CB-CE2 3.46Å; D1317-Y2622 VanDerWaalsContact CB-CE2 3.46Å; D1317-Y2622 VanDerWaalsContact N-CE2 3.34Å; D1317-Y2622 WeakPolarHBondContact O-CD2 3.35Å; D1317-Y2622 WeakPolarHBondContact O-CE2 3.3Å; D1317-Y2622 WeakPolarHBondContact OD2-CE2 3.46Å; D1317-Y2622 PolarHBondContact OD2-OH 2.84Å; D1318-Y2622 HydrophobicContact CB-CD2 4.31Å; D1318-Y2622 VanDerWaalsContact OD2-CA 3.27Å; D1318-Y2622 WeakPolarHBondContact OD2-CA 3.01Å; D1318-Y2622 WeakPolarHBondContact OD2-CB 3.34Å; R1323-Y2622 VanDerWaalsContact CD-O 3.3Å; R1323-Y2622 WeakPolarHBondContact CD-O 3.4Å; R1323-Y2622 VanDerWaalsContact CG-O 3.3Å; R1323-Y2622 WeakPolarHBondContact CG-O 3.06Å; R1323-Y2622 PolarHBondContact NE-O 2.97Å
2623	E	36	Very low	36.4	Very low	68 Å²	68	73.3 Å²	73.3	32%	0.318	36%	0.364	S	S	.	.				-154.6	120.7	69.1	-128	158	-151.4	0	0	108.2	L1316 R1323 Q1325 S2621	L1316-E2623 HydrophobicContact CD1-CB 4.45Å; L1316-E2623 HydrophobicContact CD1-CG 4.21Å; R1323-E2623 VanDerWaalsContact CZ-N 3.25Å; R1323-E2623 VanDerWaalsContact NE-N 3.13Å; R1323-E2623 PolarHBondContact NH1-O 2.78Å; R1323-E2623 VanDerWaalsContact NH1-O 3.15Å; R1323-E2623 PolarHBondContact NH2-O 2.54Å; Q1325-E2623 PolarHBondContact NE2-OE2 3.06Å; S2621-E2623 PolarHBondContact O-N 3.45Å
2624	E	33.9	Very low	36.9	Very low	119 Å²	119	80 Å²	80	56%	0.556	40%	0.4	S	S	*	.				19.3	124.7	93.2	-86.2	-130.1	113.3	0	0	112.8	D1318	D1318-E2624 PolarHBondContact OD2-N 3.23Å
2625	E	39.7	Very low	37.7	Very low	99 Å²	99	83.9 Å²	83.9	46%	0.463	42%	0.423	S	S	.	.			trans	69	108.2	134.1	-72	-132.9	145.7	0	0	120	K2628	E2625-K2628 WeakPolarHBondContact OE2-CE 2.94Å; E2625-K2628 IonicContact OE2-NZ 2.72Å; E2625-K2628 PolarHBondContact OE2-NZ 3.09Å
2626	I	37.1	Very low	37.9	Very low	91 Å²	91	90.6 Å²	90.6	47%	0.467	45%	0.452	S	S	.	.				82.7	155.4	102.8	-97.7	158	0	0	0	118.9	K2628	I2626-K2628 HydrophobicContact CB-CD 4.45Å; I2626-K2628 HydrophobicContact CB-CG 3.78Å; I2626-K2628 HydrophobicContact CD1-CB 4.44Å; I2626-K2628 HydrophobicContact CD1-CD 4.22Å; I2626-K2628 HydrophobicContact CD1-CG 3.34Å; I2626-K2628 HydrophobicContact CG1-CB 4.09Å; I2626-K2628 HydrophobicContact CG1-CD 4.43Å; I2626-K2628 HydrophobicContact CG1-CG 3.36Å; I2626-K2628 HydrophobicContact CG2-CD 3.66Å; I2626-K2628 HydrophobicContact CG2-CG 3.55Å
2627	I	41.8	Very low	37.7	Very low	158 Å²	158	98 Å²	98	81%	0.81	48%	0.479	S	S	*	.	S	Bend		-118.9	101.8	56.7	-72.3	176.4	0	0	0	112
2628	K	39.3	Very low	38.3	Very low	93 Å²	93	98.1 Å²	98.1	40%	0.404	49%	0.489	S	S	.	.				77.9	109.1	89.1	-77.9	167.9	175.3	110.2	0	113.3	E2625 I2626	E2625-K2628 WeakPolarHBondContact OE2-CE 2.94Å; E2625-K2628 IonicContact OE2-NZ 2.72Å; E2625-K2628 PolarHBondContact OE2-NZ 3.09Å; I2626-K2628 HydrophobicContact CB-CD 4.45Å; I2626-K2628 HydrophobicContact CB-CG 3.78Å; I2626-K2628 HydrophobicContact CD1-CB 4.44Å; I2626-K2628 HydrophobicContact CD1-CD 4.22Å; I2626-K2628 HydrophobicContact CD1-CG 3.34Å; I2626-K2628 HydrophobicContact CG1-CB 4.09Å; I2626-K2628 HydrophobicContact CG1-CD 4.43Å; I2626-K2628 HydrophobicContact CG1-CG 3.36Å; I2626-K2628 HydrophobicContact CG2-CD 3.66Å; I2626-K2628 HydrophobicContact CG2-CG 3.55Å
2629	K	36.2	Very low	37.9	Very low	125 Å²	125	103.9 Å²	103.9	54%	0.543	52%	0.516	S	S	.	.			trans	67	127.3	131.2	-54.8	159.1	-170.3	156.7	0	115.7	K2631	K2629-K2631 HydrophobicContact CB-CB 4.35Å; K2629-K2631 HydrophobicContact CB-CG 4.48Å; K2629-K2631 HydrophobicContact CG-CB 4.44Å; K2629-K2631 HydrophobicContact CG-CD 4.01Å; K2629-K2631 HydrophobicContact CG-CG 4.11Å
2630	T	45.5	Very low	38.9	Very low	130 Å²	130	106.8 Å²	106.8	80%	0.798	53%	0.534	S	S	*	.				-126.8	134.3	53.4	38.8	0	0	0	0	112.8
2631	K	48.5	Very low	39.2	Very low	156 Å²	156	116 Å²	116	68%	0.678	57%	0.569	S	S	*	*			cis	50.8	84.7	34.1	-67.5	-154.7	-175.2	-169.7	0	115.4	K2629	K2629-K2631 HydrophobicContact CB-CB 4.35Å; K2629-K2631 HydrophobicContact CB-CG 4.48Å; K2629-K2631 HydrophobicContact CG-CB 4.44Å; K2629-K2631 HydrophobicContact CG-CD 4.01Å; K2629-K2631 HydrophobicContact CG-CG 4.11Å
2632	T	49.8	Very low	39	Very low	126 Å²	126	124 Å²	124	77%	0.773	60%	0.603	S	S	*	*			trans	-143.4	86.1	139.3	35.8	0	0	0	0	110
2633	T	47.7	Very low	39.4	Very low	106 Å²	106	126 Å²	126	65%	0.65	62%	0.619	S	S	*	*				61.5	113.1	88.7	65	0	0	0	0	115.2
2634	N	40.3	Very low	39.2	Very low	140 Å²	140	127.7 Å²	127.7	75%	0.749	63%	0.634	S	S	*	*				-164	161.3	113.5	-91	-60.9	0	0	0	106.4
2635	V	44.2	Very low	39.5	Very low	92 Å²	92	132.5 Å²	132.5	56%	0.558	65%	0.647	S	S	*	*			cis	67.8	128.2	44.1	148.6	0	0	0	0	112.2	R2637	V2635-R2637 HydrophobicContact CG1-CB 4.42Å
2636	K	34.8	Very low	39.9	Very low	141 Å²	141	132.6 Å²	132.6	61%	0.613	66%	0.656	S	S	*	*				-124.9	50.4	104.7	-64.5	94.9	-159	169.6	0	111.6	T2638 E2639	K2636-T2638 VanDerWaalsContact C-N 3.28Å; K2636-T2638 PolarHBondContact O-N 2.94Å; K2636-E2639 WeakPolarHBondContact CB-OE1 3.12Å
2637	R	28.7	Very low	39.4	Very low	190 Å²	190	136.7 Å²	136.7	72%	0.717	67%	0.673	S	S	*	*	S	Bend	trans	61.9	-51.1	164.2	97	-63.3	-151.1	-177.1	7.7	118.6	V2635	V2635-R2637 HydrophobicContact CG1-CB 4.42Å
2638	T	45	Very low	39.1	Very low	94 Å²	94	134.9 Å²	134.9	58%	0.577	67%	0.669	S	S	*	*	S	Bend	trans	-126.2	49.2	-179.1	49.5	0	0	0	0	110.4	K2636 V2640	K2636-T2638 VanDerWaalsContact C-N 3.28Å; K2636-T2638 PolarHBondContact O-N 2.94Å; T2638-V2640 VanDerWaalsContact C-CB 3.42Å
2639	E	24.3	Very low	38.8	Very low	124 Å²	124	138.8 Å²	138.8	58%	0.579	69%	0.688	S	S	*	*			trans	-135.4	59.4	166.6	-71.5	147	-124.2	0	0	104.6	K2636 R2641	K2636-E2639 WeakPolarHBondContact CB-OE1 3.12Å; E2639-R2641 CarbonylContact C-O 3.59Å
2640	V	50.8	Low	38.5	Very low	98 Å²	98	137.4 Å²	137.4	59%	0.594	70%	0.695	S	S	*	*			cis	43.6	87.2	35.1	-177.9	0	0	0	0	111.5	T2638	T2638-V2640 VanDerWaalsContact C-CB 3.42Å
2641	R	36.6	Very low	37.8	Very low	193 Å²	193	136.8 Å²	136.8	73%	0.728	69%	0.691	S	S	*	*			trans	65.6	162.5	-166.7	-34.7	146	159.7	-179.3	-6.7	110.5	E2639 I2643	E2639-R2641 CarbonylContact C-O 3.59Å; R2641-I2643 HydrophobicContact CB-CD1 3.91Å; R2641-I2643 HydrophobicContact CB-CG1 4.41Å; R2641-I2643 HydrophobicContact CG-CD1 3.98Å
2642	K	28.8	Very low	36.7	Very low	174 Å²	174	137.5 Å²	137.5	76%	0.757	70%	0.696	S	S	*	*			cis	-113.7	129.8	-4.3	-85.8	-168.8	171.8	-168.5	0	107.2
2643	I	39.1	Very low	35.8	Very low	129 Å²	129	136.8 Å²	136.8	66%	0.662	69%	0.692	S	S	*	*				56.7	114.8	63.2	-56.2	168	0	0	0	108.5	R2641	R2641-I2643 HydrophobicContact CB-CD1 3.91Å; R2641-I2643 HydrophobicContact CB-CG1 4.41Å; R2641-I2643 HydrophobicContact CG-CD1 3.98Å
2644	V	30.8	Very low	34.9	Very low	104 Å²	104	135.6 Å²	135.6	63%	0.63	68%	0.681	S	S	*	*			trans	94.1	125.5	-164.3	174.5	0	0	0	0	111.6
2645	R	40.7	Very low	34.5	Very low	220 Å²	220	133.8 Å²	133.8	83%	0.83	69%	0.685	S	S	*	*			cis	-154.7	-35.1	-11.3	-121.1	166.9	-109.9	-179.8	2.9	114.7
2646	P	48.2	Very low	34.4	Very low	101 Å²	101	134 Å²	134	66%	0.656	69%	0.687	S	S	*	*			trans	-132.6	-171.5	-173.9	37	-17.2	0	0	0	115.7
2647	E	26.7	Very low	34.1	Very low	177 Å²	177	131.3 Å²	131.3	83%	0.827	69%	0.685	S	S	*	*			trans	82	148.6	161.5	-52.2	164.7	153.8	0	0	120.8
2648	V	34.8	Very low	34.6	Very low	120 Å²	120	127.3 Å²	127.3	73%	0.727	68%	0.675	S	S	*	*			trans	94.4	123	149.6	-168.2	0	0	0	0	123.8
2649	H	34.2	Very low	34.1	Very low	174 Å²	174	128.8 Å²	128.8	81%	0.806	68%	0.679	S	S	*	*			trans	75.6	137.3	149.5	-85.7	-52.9	0	0	0	127.4
2650	S	30.1	Very low	34.4	Very low	97 Å²	97	130.8 Å²	130.8	68%	0.678	69%	0.688	S	S	*	*				100.1	129.6	126.4	56.6	0	0	0	0	125.4
2651	T	29.1	Very low	33.7	Very low	116 Å²	116	130 Å²	130	71%	0.712	69%	0.692	S	S	*	*			trans	76.8	120.6	141.9	41.1	0	0	0	0	124.7
2652	E	25.9	Very low	33.6	Very low	171 Å²	171	129.7 Å²	129.7	80%	0.799	70%	0.699	S	S	*	*				68.6	133.7	125.8	-76.9	-170.6	133.2	0	0	125.6
2653	V	31.3	Very low	33.9	Very low	112 Å²	112	125 Å²	125	68%	0.679	70%	0.7	S	S	*	*				90.1	139.3	125.9	163.5	0	0	0	0	122.9
2654	L	28.9	Very low	33.8	Very low	81 Å²	81	125.7 Å²	125.7	42%	0.424	71%	0.705	S	S	.	*			trans	15.2	109.8	159	-63.6	168	0	0	0	121	V2656	L2654-V2656 HydrophobicContact CB-CG2 4.32Å
2655	A	30.7	Very low	34.1	Very low	101 Å²	101	123 Å²	123	84%	0.835	69%	0.694	S	S	*	*				57.3	-139.5	108.2	0	0	0	0	0	116.8
2656	V	42.2	Very low	34	Very low	98 Å²	98	115.8 Å²	115.8	59%	0.594	67%	0.674	S	S	*	*			cis	-132.9	156.6	20.3	-149.1	0	0	0	0	111.6	L2654	L2654-V2656 HydrophobicContact CB-CG2 4.32Å
2657	S	30.3	Very low	33.1	Very low	83 Å²	83	114.4 Å²	114.4	58%	0.58	67%	0.667	S	S	*	*			trans	-56.7	162.5	146.9	59.7	0	0	0	0	109.7
2658	E	39	Very low	34	Very low	106 Å²	106	108.1 Å²	108.1	50%	0.495	64%	0.639	S	S	.	*			cis	-88.3	152.1	15.5	-63.7	80.6	-142.3	0	0	112.2
2659	N	33.1	Very low	34.2	Very low	125 Å²	125	102.6 Å²	102.6	67%	0.668	61%	0.605	S	S	*	*				-149.7	144.3	52.9	-74.7	-93.4	0	0	0	109.8	A2661	N2659-A2661 PolarHBondContact O-N 2.68Å
2660	E	31.5	Very low	34.4	Very low	166 Å²	166	95.8 Å²	95.8	78%	0.776	58%	0.579	S	S	*	*				52.1	54.9	69.6	-56.2	-150.2	124.5	0	0	110.4
2661	A	35.5	Very low	34.4	Very low	82 Å²	82	94.1 Å²	94.1	68%	0.678	56%	0.562	S	S	*	*				75.6	35.3	76.1	0	0	0	0	0	115.1	N2659	N2659-A2661 PolarHBondContact O-N 2.68Å
2662	E	34.6	Very low	35.4	Very low	187 Å²	187	92.8 Å²	92.8	87%	0.874	54%	0.544	S	S	*	.			trans	-112.6	164.4	153.8	-69.4	-163	150.3	0	0	110.6
2663	G	35.2	Very low	36	Very low	75 Å²	75	91 Å²	91	77%	0.773	54%	0.535	S	S	*	.			trans	86.3	17.1	168.6	0	0	0	0	0	116.6	A2665	G2663-A2665 VanDerWaalsContact C-N 3.26Å; G2663-A2665 PolarHBondContact O-N 3.28Å
2664	N	36.7	Very low	36.2	Very low	143 Å²	143	89.9 Å²	89.9	77%	0.765	53%	0.528	S	S	*	.			trans	-63.8	74.3	-177.5	-69.5	-24	0	0	0	114.5
2665	A	37.2	Very low	36.6	Very low	48 Å²	48	90.4 Å²	90.4	40%	0.397	53%	0.534	S	S	.	.			trans	-103.8	-152.3	155.1	0	0	0	0	0	108.9	G2663 S2667	G2663-A2665 VanDerWaalsContact C-N 3.26Å; G2663-A2665 PolarHBondContact O-N 3.28Å; A2665-S2667 PolarHBondContact O-N 2.94Å
2666	V	39.1	Very low	37	Very low	68 Å²	68	89.8 Å²	89.8	41%	0.412	52%	0.517	S	S	.	.			trans	65.7	-10.3	169.5	-169.3	0	0	0	0	116.3	T1209	T1209-V2666 PolarHBondContact OG1-N 3.33Å
2667	S	29	Very low	36.6	Very low	73 Å²	73	89.3 Å²	89.3	51%	0.51	51%	0.512	S	S	.	.			trans	-62.5	163	160.7	-177.4	0	0	0	0	111.8	T1209 A2665	T1209-S2667 PolarHBondContact OG1-N 2.8Å; T1209-S2667 PolarHBondContact OG1-O 2.95Å; A2665-S2667 PolarHBondContact O-N 2.94Å
2668	L	46.4	Very low	37	Very low	45 Å²	45	89.7 Å²	89.7	24%	0.236	51%	0.508	C	S	.	.			trans	68.9	175.2	-178.8	-56.9	102.3	0	0	0	114.3	N1206 T1209 R1241	N1206-L2668 WeakPolarHBondContact O-CD2 3.46Å; T1209-L2668 HydrophobicContact CG2-CD1 3.99Å; R1241-L2668 VanDerWaalsContact O-CB 3.32Å; R1241-L2668 WeakPolarHBondContact O-CB 3.41Å; R1241-L2668 VanDerWaalsContact O-CD2 3.24Å; R1241-L2668 WeakPolarHBondContact O-CD2 3.39Å
2669	T	39	Very low	36.9	Very low	4 Å²	4	88.6 Å²	88.6	3%	0.025	51%	0.509	C	S	.	.			trans	91.3	28.4	-161.7	-27.2	0	0	0	0	115.8	E1231 V1242 C1243 K1244 L2671	E1231-T2669 HydrophobicContact CB-CG2 3.24Å; E1231-T2669 HydrophobicContact CG-CG2 4.26Å; V1242-T2669 VanDerWaalsContact CG1-C 3.5Å; V1242-T2669 HydrophobicContact CG1-CG2 4.02Å; V1242-T2669 WeakPolarHBondContact O-CG2 3.23Å; C1243-T2669 WeakPolarHBondContact CA-OG1 3.43Å; C1243-T2669 PolarHBondContact N-OG1 2.9Å; C1243-T2669 VanDerWaalsContact N-OG1 3.13Å; C1243-T2669 PolarHBondContact O-OG1 3.48Å; K1244-T2669 HydrophobicContact CB-CG2 4.03Å; K1244-T2669 VanDerWaalsContact CG-CB 3.49Å; K1244-T2669 HydrophobicContact CG-CG2 3.4Å; K1244-T2669 PolarHBondContact N-OG1 3.04Å; T2669-L2671 PolarHBondContact O-N 3.16Å
2670	A	36.8	Very low	37.2	Very low	30 Å²	30	86 Å²	86	25%	0.248	50%	0.498	C	S	.	.			trans	-19.9	88.9	167.3	0	0	0	0	0	116.8	D908 P1233 N1234 V1242	D908-A2670 HydrophobicContact CB-CB 3.9Å; D908-A2670 WeakPolarHBondContact OD2-CB 3.31Å; P1233-A2670 WeakPolarHBondContact CB-O 3.49Å; P1233-A2670 WeakPolarHBondContact CD-O 3.3Å; P1233-A2670 WeakPolarHBondContact CG-O 3.25Å; N1234-A2670 WeakPolarHBondContact ND2-CB 3.46Å; N1234-A2670 PolarHBondContact ND2-O 2.67Å; V1242-A2670 HydrophobicContact CG1-CB 4.27Å; V1242-A2670 HydrophobicContact CG2-CB 4.07Å
2671	L	31.2	Very low	37.6	Very low	63 Å²	63	79.8 Å²	79.8	33%	0.33	48%	0.476	S	S	.	.				-158.2	172.6	125	-101.8	-170.6	0	0	0	103.9	D879 P1233 T2669	D879-L2671 WeakPolarHBondContact OD2-CD2 3.11Å; P1233-L2671 HydrophobicContact CB-CB 3.63Å; P1233-L2671 HydrophobicContact CB-CD1 3.52Å; P1233-L2671 HydrophobicContact CB-CG 3.63Å; P1233-L2671 HydrophobicContact CG-CB 4.04Å; T2669-L2671 PolarHBondContact O-N 3.16Å
2672	R	49.7	Very low	37.8	Very low	87 Å²	87	79.7 Å²	79.7	33%	0.328	46%	0.459	S	S	.	.			cis	-136.9	38.3	26.7	-25.1	-159.2	131.2	142.1	-6	112	E1231 H1501 S1505	E1231-R2672 IonicContact OE2-NH2 2.79Å; H1501-R2672 PolarHBondContact CE1-NH1 2.76Å; H1501-R2672 PolarHBondContact NE2-NH1 2.7Å; S1505-R2672 VanDerWaalsContact CB-NH2 3.31Å; S1505-R2672 PolarHBondContact O-NH2 2.81Å
2673	H	38.7	Very low	38.1	Very low	133 Å²	133	69.9 Å²	69.9	62%	0.616	42%	0.422	S	S	*	.			trans	-142.7	0	-159.3	-44.7	-43.8	0	0	0	110.9	S1499 N1500	S1499-H2673 WeakPolarHBondContact CB-ND1 3.48Å; S1499-H2673 PolarHBondContact O-CE1 2.96Å; S1499-H2673 PolarHBondContact O-NE2 2.93Å; N1500-H2673 PolarHBondContact OD1-CD2 2.99Å

Retrieved 2,673 of 2,673 residues in 918 ms (Link to these results)

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